#DEFINITION	Reference Metabolome for Stemona japonica
#IDENTTFIER	RefMeta-Stemona japonica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Stemona japonica
#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 Stemona japonica 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	1001.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04999	0.5
79.05494	0.8
80.05011	0.6
81.03387	0.2
81.07065	0.4
83.01342	0.5
83.04936	0.2
85.02850	0.3
85.06483	0.3
91.05496	0.9
92.04913	0.1
93.07035	0.7
94.06525	0.2
95.04984	0.6
95.08550	0.1
97.02839	0.1
97.06470	0.2
99.04438	0.5
103.05402	0.1
106.06555	1.1
107.04966	0.6
107.08550	0.2
108.04412	0.1
108.08075	0.2
109.02814	0.1
109.06510	0.4
111.08052	0.1
112.07565	0.1
113.05953	0.1
115.05383	0.2
117.07024	0.5
118.06508	0.4
119.04903	0.2
119.07255	0.1
119.08577	0.4
120.08047	0.3
121.06520	0.4
121.07198	0.1
122.05984	0.1
122.09597	0.3
123.08005	0.2
124.07570	0.1
126.09093	0.2
127.03901	0.7
127.07491	0.1
128.06155	0.2
129.07005	0.5
130.06535	0.8
130.07516	0.1
131.04883	0.1
131.07333	0.1
131.08493	0.5
132.08037	0.3
133.06474	0.4
134.05943	0.1
134.09644	0.6
135.04375	0.1
135.07986	0.3
136.11172	0.1
137.05894	0.3
137.09515	0.1
138.09108	0.1
139.03755	0.1
139.07501	0.2
140.10655	0.1
141.05464	0.4
141.06938	0.2
142.07739	0.3
143.07393	0.1
143.08481	0.3
144.08044	0.2
145.04868	0.1
145.06461	0.6
145.10066	0.4
146.06042	0.1
146.07182	0.1
146.09586	0.2
147.07983	0.3
148.07536	0.1
148.11110	0.1
149.05882	0.1
149.09554	0.2
150.09111	0.2
151.03896	0.2
151.07463	0.2
152.10695	0.5
153.05403	0.3
153.06850	0.1
155.03380	0.8
155.06964	0.6
155.08466	0.4
156.09186	0.1
157.06410	0.2
157.10066	0.3
158.07257	0.1
158.09619	0.1
159.07994	0.4
160.07535	0.2
160.11139	0.2
161.05957	0.1
161.09607	0.2
162.09079	0.2
163.07538	0.2
164.04564	0.1
165.05495	1.2
165.09134	0.2
167.06978	0.6
167.08405	0.1
169.06352	0.1
169.10088	0.2
170.11794	0.5
171.08025	0.2
172.11191	0.5
173.05977	0.2
173.09593	0.6
174.09029	0.1
174.12810	0.1
175.07533	0.2
177.09071	0.3
178.08621	0.1
178.12285	0.1
179.06992	0.1
179.10587	0.1
183.06462	0.7
183.08025	0.3
184.11235	0.1
185.05899	0.1
185.09589	0.3
187.07526	0.1
187.11139	0.2
189.09033	0.3
189.12733	0.1
190.12196	0.3
191.06966	0.2
191.10571	0.1
195.06454	0.4
195.07994	0.1
196.13354	0.1
197.06053	0.1
197.09517	0.2
199.07433	0.2
199.11124	0.2
200.08333	0.1
200.10619	0.3
201.09029	0.5
202.12184	0.2
202.76811	0.1
205.08504	0.3
205.12123	0.1
207.06467	0.4
207.10025	0.2
208.13264	0.1
209.09532	0.1
211.07524	0.2
213.09027	0.3
215.10626	0.3
217.08638	0.1
217.12241	0.1
218.11757	0.6
218.15295	0.1
219.06407	0.2
219.10023	0.1
220.07292	0.1
220.13206	0.3
221.07939	0.1
227.10669	0.1
228.13838	0.1
229.08665	0.1
231.10117	0.1
233.08063	0.1
236.12810	0.6
237.12781	0.1
239.10649	0.1
240.10017	0.1
241.08563	0.2
243.10127	0.2
245.11694	0.1
246.14717	0.1
247.09645	0.2
248.16481	0.3
249.11209	0.1
251.14624	0.1
253.12218	0.1
255.10219	0.1
256.07324	0.2
256.13266	0.1
259.09735	0.1
261.11215	1.2
263.09109	0.8
267.09845	0.1
271.09659	0.7
273.11215	1.4
274.14291	0.1
275.12717	0.2
290.13666	0.2
292.15594	0.1
294.16980	0.1
297.11066	0.2
297.14944	0.1
300.12314	0.2
326.14011	0.1
339.15958	0.2
355.15063	0.1
377.18283	0.1
384.18106	0.3
402.18961	0.5
405.18039	0.1
420.20135	100.0
421.20535	1.5
582.25421	12.5
583.26001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	0.6
75.04449	0.1
77.03896	0.1
79.05497	0.9
80.05013	0.6
81.03367	0.2
81.07005	0.3
82.06547	0.1
83.01340	0.4
83.04930	0.3
84.04455	0.1
85.02880	0.4
85.06496	0.3
85.62910	0.1
87.04422	0.1
91.05482	1.1
92.04986	0.1
93.03387	0.1
93.05750	0.1
93.07047	0.7
94.02902	0.1
94.06529	0.3
95.04961	0.8
96.04461	0.1
97.02837	0.3
97.06498	0.2
99.04459	0.5
103.05415	0.2
106.05930	0.1
106.06563	1.2
107.04949	0.6
107.08516	0.3
108.08059	0.2
109.02799	0.1
109.06522	0.4
110.05988	0.2
111.08068	0.2
112.07576	0.2
113.05935	0.2
115.03880	0.1
115.05383	0.2
117.07013	0.8
118.06561	0.5
119.04886	0.2
119.07292	0.1
119.08517	0.3
120.08064	0.3
121.06500	0.5
122.09626	0.2
123.04406	0.2
123.08041	0.1
124.07489	0.1
124.11214	0.2
126.09081	0.2
127.03947	0.7
128.06143	0.3
128.10612	0.1
129.05518	0.1
129.06990	0.8
130.06464	0.6
130.07529	0.1
131.04893	0.2
131.07208	0.1
131.08499	0.5
132.08038	0.3
133.06451	0.5
133.10008	0.2
134.09641	0.7
135.04353	0.2
135.08035	0.4
136.07544	0.2
136.11244	0.4
137.05991	0.5
137.09557	0.2
138.09160	0.1
139.03886	0.1
139.07542	0.2
140.10652	0.1
141.05428	0.3
141.06880	0.3
142.07729	0.2
142.12231	0.1
143.08556	0.5
144.08012	0.2
145.06468	0.6
145.10071	0.2
146.09630	0.1
147.04427	0.1
147.07996	0.3
148.11191	0.1
149.05893	0.1
149.09558	0.2
150.09076	0.2
151.03877	0.2
151.07507	0.2
152.10718	0.6
153.01758	0.2
153.05406	0.4
153.06837	0.1
154.07668	0.1
154.12215	0.2
155.03387	1.1
155.07138	0.6
155.08391	0.5
157.05185	0.1
157.06458	0.2
157.10092	0.4
158.07193	0.1
159.06837	0.1
159.08028	0.5
159.11678	0.1
160.07590	0.1
160.11163	0.1
161.05954	0.2
161.09552	0.3
162.09116	0.1
162.12724	0.1
163.07542	0.2
163.11131	0.2
164.07111	0.1
164.10590	0.1
165.05495	1.3
165.06833	0.1
165.09081	0.2
167.06976	0.5
167.08398	0.2
168.10220	0.1
169.06509	0.1
169.10051	0.2
170.07260	0.1
170.11784	0.7
171.08073	0.5
172.08766	0.1
172.11241	0.5
173.05930	0.3
173.09654	0.5
174.09077	0.2
174.12750	0.4
175.07562	0.4
175.11217	0.1
176.10600	0.2
177.05443	0.1
177.09056	0.3
179.06956	0.2
179.10617	0.1
181.08589	0.1
182.09598	0.1
183.06476	0.7
183.08018	0.5
185.05905	0.2
185.09546	0.3
186.09068	0.2
187.07559	0.2
187.11060	0.2
189.09106	0.2
190.12328	0.1
191.07024	0.2
192.13736	0.1
193.04984	0.4
193.08565	0.1
195.06468	0.3
195.08069	0.2
195.10272	0.1
197.09558	0.2
199.07520	0.4
199.11296	0.1
200.10594	0.2
201.09059	0.3
202.09886	0.1
202.12221	0.4
203.07053	0.2
203.10597	0.3
204.13708	0.1
205.04826	0.2
205.08612	0.4
207.06470	0.5
211.07495	0.3
212.08296	0.2
213.09064	0.4
214.06093	0.1
215.07001	0.1
215.10591	0.3
217.08649	0.2
217.12207	0.2
218.11795	0.6
219.06465	0.2
219.10129	0.2
220.07233	0.1
220.13353	0.4
220.16797	0.1
223.07620	0.1
225.09154	0.1
227.07033	0.2
227.10580	0.2
229.08617	0.2
231.10135	0.2
233.07996	0.1
233.11638	0.1
236.12791	0.4
243.10158	0.3
245.08070	0.2
245.11729	0.2
247.09593	0.4
248.16435	0.1
249.11179	0.2
253.12100	0.1
255.10162	0.1
256.07236	0.1
261.11212	1.2
263.09134	0.6
271.09595	0.4
273.11191	1.6
274.14352	0.1
275.12662	0.2
277.10556	0.6
279.08572	0.2
280.13391	0.1
284.41663	0.1
285.11148	0.2
288.12012	0.1
289.10590	0.6
290.13910	0.2
291.12308	0.2
292.15439	0.2
306.13382	0.2
308.15048	0.1
309.11176	0.2
326.13910	0.1
327.16006	0.1
339.16193	0.1
343.15393	0.1
352.13144	0.2
356.18481	0.1
367.15060	0.2
377.18292	0.2
384.17935	0.4
402.19205	0.6
405.17661	0.1
420.20154	100.0
421.20560	1.5
582.25446	29.3
583.25555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.69
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52804	0.4
88.34540	0.1
98.22626	0.1
105.14780	0.1
106.00276	0.1
116.24425	0.1
128.09360	0.1
174.35397	0.1
182.42191	0.1
186.67636	0.1
190.75406	0.1
190.77260	0.1
217.28526	0.1
218.08470	0.1
308.12607	0.1
327.23840	0.2
333.62079	0.1
335.24097	0.2
348.37885	0.1
354.03235	0.1
365.25305	0.2
383.26346	0.3
383.63846	0.1
386.75461	0.1
439.29440	0.9
495.32373	0.1
513.33936	100.0
514.34210	1.6
781.39038	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	1008.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.7
71.04989	1.5
73.02915	4.7
79.05483	0.3
81.03412	6.0
83.01342	0.7
83.04981	0.6
85.02901	100.0
86.03226	0.3
87.04468	1.0
91.03951	0.7
91.05489	0.3
95.04984	0.9
97.02889	32.2
99.04449	8.9
101.02379	5.5
103.03929	1.1
107.04923	0.4
109.02878	7.5
111.04450	0.7
115.03926	3.9
115.04701	0.3
119.04929	0.4
121.06542	0.3
123.04459	0.9
127.03911	81.4
133.04979	0.5
135.04424	0.4
137.06009	0.3
139.03886	0.8
145.04955	75.7
146.05292	0.6
147.04402	0.5
151.03874	1.3
153.05466	0.5
157.05109	0.2
163.06009	25.3
165.05484	0.7
177.05513	0.6
181.04958	1.0
189.05472	0.2
193.04935	1.9
194.72821	0.2
195.06604	0.4
199.05948	1.4
207.06551	0.4
211.06056	0.8
217.07086	1.0
223.05997	5.1
225.07576	0.6
229.07025	2.1
235.05940	0.5
241.07050	2.0
247.08124	2.5
253.07063	4.2
259.08130	4.7
271.08099	9.3
289.09164	23.5
307.10239	2.9
325.11273	62.3
326.11542	0.7
331.97415	0.2
343.12466	0.5
435.31802	0.3
612.16388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	25.1
56.96562	44.6
58.50540	4.7
60.95858	5.1
67.51073	12.7
70.01315	5.1
74.02457	9.8
74.06069	5.2
76.51602	6.3
79.01852	20.4
83.01536	11.6
84.04500	4.6
84.08145	37.0
84.90081	4.3
100.02497	11.5
100.67174	3.8
101.00882	30.0
101.02553	28.7
102.02246	8.4
102.09166	6.2
118.03561	7.6
119.01926	100.0
119.03631	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
56.96566	8.1
60.04527	2.1
60.95852	1.8
61.14268	1.4
64.98410	1.5
68.33865	1.3
69.71690	5.3
74.06078	3.2
79.01862	2.8
82.99833	1.7
83.01485	1.5
84.01209	1.5
84.04482	1.8
85.02917	4.2
88.01867	1.2
88.02384	3.0
89.00272	1.4
100.02483	1.5
101.00885	27.3
101.02563	5.4
101.07960	2.5
102.02207	1.6
102.05544	2.8
102.09164	4.4
117.96032	1.4
118.03544	1.9
119.01923	100.0
119.03693	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	1013.316
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06155	1.5
84.04427	0.6
85.02854	1.4
97.02837	0.5
99.68987	0.5
105.65585	0.5
127.03810	1.2
130.04918	0.8
141.40111	0.5
147.07632	0.6
155.01874	0.6
173.02855	0.8
175.04683	0.5
185.04213	48.1
197.02948	0.9
203.05281	14.3
245.04988	5.0
247.04903	0.6
251.04025	0.6
255.57234	0.6
257.05020	1.4
273.05670	1.2
275.06305	1.5
287.06198	0.6
337.09885	1.4
347.09467	90.2
348.09814	0.5
365.10522	21.2
383.10431	1.0
509.14740	24.6
527.15765	15.3
671.19989	4.6
683.80402	0.6
689.20941	6.1
833.25092	5.0
851.26459	5.1
1013.31592	100.0
1014.32068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04983	0.2
77.67892	0.1
79.05492	0.4
80.05013	0.3
81.07041	0.4
82.06576	0.3
83.04972	0.1
84.08134	0.5
84.15472	0.1
91.05481	0.5
93.07024	0.3
94.06568	0.5
95.04951	0.2
95.08652	0.2
96.08113	0.7
97.06536	0.1
97.08904	0.1
99.04466	0.2
100.07639	0.1
105.07034	0.4
107.04958	1.3
107.08608	0.3
108.08107	0.3
109.06532	0.2
110.09651	0.5
111.08083	0.1
117.06988	0.1
119.08579	0.5
120.08060	0.3
121.06528	0.2
121.10144	0.1
122.09673	1.5
123.07986	0.1
124.11238	0.2
125.05968	0.3
126.09153	0.1
129.06947	0.1
131.08549	0.3
134.09677	0.6
135.08046	0.2
136.11203	0.7
137.05965	0.2
137.09627	0.1
141.05496	0.1
145.10098	0.2
146.09607	0.2
147.11656	0.2
148.11255	0.2
149.05940	0.2
149.11920	0.2
150.09137	1.3
151.07550	0.1
154.12299	0.2
155.03368	0.2
155.06949	0.1
159.08040	0.2
160.11296	0.2
160.15660	0.1
161.09660	0.3
162.12761	0.7
164.10645	0.2
164.14348	0.4
165.05630	0.1
167.07146	0.2
168.10184	0.8
173.09633	0.1
175.07480	0.2
175.11130	0.3
180.10240	0.1
181.08595	0.3
182.11763	1.4
183.06564	0.3
184.13339	1.0
189.09152	0.1
190.12254	0.2
190.15871	0.3
191.10654	0.2
204.13673	0.1
208.13307	0.2
211.11188	0.1
220.13303	0.3
233.11826	0.2
234.14857	0.2
236.16452	2.0
240.13918	0.1
246.14880	3.2
247.09645	1.7
248.16617	0.1
249.11324	0.6
262.18030	0.3
264.19598	0.4
276.15973	0.4
292.19058	0.3
302.17374	0.3
316.19022	0.1
318.17056	0.5
320.18555	7.2
321.18701	0.1
342.20587	0.2
344.18524	6.3
348.18103	0.2
353.10245	0.1
360.17990	0.6
372.21613	0.3
383.10986	0.1
400.21161	0.2
403.19919	0.2
418.22211	100.0
419.22467	1.6
420.22815	0.2
431.13187	0.4
443.13968	0.2
461.14105	0.3
485.14801	0.3
527.15894	0.2
545.16638	0.3
563.17810	0.2
975.42438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	1.0
79.05492	0.4
80.05005	0.9
81.03414	0.2
81.07050	0.5
82.06570	0.3
84.08134	0.9
85.02897	0.2
85.06496	0.1
91.05487	0.3
93.07037	0.4
94.06546	0.7
95.04974	0.3
95.08607	1.1
96.08143	0.7
97.02912	0.3
97.06525	0.1
97.08912	0.4
99.04451	0.5
101.06010	0.1
105.07005	0.2
106.06547	0.1
107.08613	0.3
108.08113	0.4
110.07217	0.1
110.09685	0.5
111.04508	0.1
111.08072	3.7
111.08830	0.2
112.07599	0.2
113.09637	0.2
118.75012	0.1
119.08570	0.3
120.08044	0.2
121.10157	0.1
122.09662	1.6
123.08051	0.2
124.07583	0.2
124.11240	0.6
125.06018	0.3
127.03921	1.3
129.05460	0.8
129.06985	0.1
131.08553	0.1
134.09636	0.7
135.08049	0.1
136.11208	3.0
137.11996	0.1
138.09128	0.2
139.07552	0.4
140.08325	0.2
141.09038	0.1
146.09634	0.1
147.11726	0.1
148.11194	0.4
149.11938	0.2
150.09128	1.6
151.03825	0.1
152.10715	1.1
154.12276	0.4
155.07039	0.2
160.11238	0.3
160.74675	0.1
161.09625	0.1
162.09171	0.3
162.12794	0.6
164.10753	0.3
164.14352	2.2
165.12762	0.1
166.12244	0.1
167.07042	1.1
168.10202	1.5
170.11790	0.4
174.12788	0.2
175.11108	0.2
176.14394	0.3
178.12309	0.1
179.10686	0.1
180.13847	0.4
182.11760	6.3
182.15373	0.5
183.06552	0.3
184.13342	0.3
188.10678	0.1
188.14400	0.1
190.12321	0.1
190.15947	0.4
192.13837	0.3
194.11703	0.2
195.16225	0.2
206.11841	0.2
206.15263	0.2
207.10182	0.1
208.13277	0.3
208.16953	0.5
210.14977	0.2
216.13853	0.2
218.11775	0.2
219.10320	0.1
220.13297	0.3
232.13324	0.2
234.14845	2.2
235.15640	0.2
236.12813	0.2
236.16512	0.4
238.14362	0.4
244.17067	0.3
252.15800	0.1
262.17963	1.1
264.19678	0.2
267.12317	0.3
272.16550	0.2
280.19089	0.2
290.17300	0.5
302.70657	0.1
308.18539	7.8
320.18765	0.2
336.17889	0.1
338.19629	0.4
344.18460	0.2
348.18134	0.5
362.19595	0.5
366.19073	0.3
400.21265	0.2
418.22226	8.9
419.22400	0.1
420.20221	1.5
434.21832	0.3
435.22287	0.3
436.23328	100.0
437.23795	1.2
582.25415	7.8
583.25641	0.2
609.00708	0.1
793.16119	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	1020.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08135	0.3
79.05510	0.3
80.05017	0.9
81.07051	0.5
82.06633	0.2
84.04523	0.3
84.08131	0.5
87.51094	0.3
91.05508	0.7
93.07055	0.4
94.06557	0.6
94.22871	0.2
95.08636	0.3
96.04435	0.3
96.08121	0.6
99.04510	0.2
105.07019	0.7
108.08108	0.4
110.09680	0.4
117.07137	0.2
119.08575	0.7
120.08131	0.4
122.09652	1.3
124.11200	0.3
125.06063	0.3
127.03942	0.3
136.11227	0.5
141.10272	0.3
147.08075	0.3
147.11714	0.2
148.11165	0.3
149.09668	0.2
150.09106	1.6
162.12759	0.5
164.14371	0.6
168.10208	0.8
182.11829	1.6
184.13339	1.1
208.13393	0.3
236.16425	2.7
246.14915	3.2
247.09636	1.6
249.11259	1.0
264.19678	0.3
274.18063	0.3
276.15985	0.3
286.62198	0.2
318.17026	0.6
320.18582	6.8
344.18607	5.6
345.19077	0.3
360.17935	0.5
418.22226	100.0
419.22583	1.9
991.81842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	0.6
79.05485	0.4
80.05016	0.9
81.07059	0.5
82.06581	0.2
83.04996	0.2
83.56565	0.1
84.08154	0.5
85.02932	1.0
88.88136	0.2
91.05480	0.5
93.07044	0.5
94.06554	0.7
95.04952	0.3
95.08614	0.5
96.08116	0.7
97.08938	0.2
99.04449	0.2
105.07037	0.5
107.08575	0.4
108.08104	0.4
109.06518	0.2
110.09682	0.7
111.08006	0.2
113.22847	0.1
117.07019	0.2
119.08569	0.4
120.08121	0.5
121.06520	0.3
121.14569	0.1
122.09666	1.8
123.08086	0.2
124.07669	0.2
124.11232	0.3
125.06026	0.3
126.09174	0.2
127.03889	0.3
127.68301	0.1
129.05434	0.2
129.07028	0.2
131.08574	0.3
134.09636	0.5
135.08009	0.2
136.11172	1.0
138.09146	0.2
143.08577	0.2
145.04973	0.2
145.10124	0.2
147.08044	0.2
148.11217	0.3
149.09546	0.2
150.09128	1.7
153.01846	0.2
154.12288	0.2
155.03394	0.3
155.07059	0.2
159.08084	0.1
161.09698	0.2
162.12825	0.7
164.14372	0.6
165.05481	0.2
165.09100	0.2
167.07094	0.3
168.10245	1.1
170.11818	0.2
172.08948	0.2
173.09572	0.3
175.11221	0.2
176.14514	0.2
181.08604	0.4
182.11761	1.9
183.06532	0.5
184.11841	0.1
184.13310	0.9
188.08380	0.2
190.15959	0.3
208.13210	0.2
220.13243	0.3
220.92004	0.1
229.04927	0.2
233.02075	0.2
234.14890	0.2
236.16466	2.7
246.14861	2.7
247.09648	0.8
248.16463	0.2
249.11194	1.0
257.04507	0.2
260.16434	0.2
262.18054	0.2
264.19580	0.5
276.15894	0.2
292.19073	0.5
303.04974	12.4
316.18973	0.2
318.16977	0.6
320.18564	6.4
321.18912	0.2
330.17081	0.2
342.20764	0.2
344.18542	4.3
360.17880	0.7
372.21896	0.2
374.23245	0.2
400.20963	0.3
403.19839	0.3
418.22217	100.0
419.22647	1.7
420.22803	0.3
465.10474	0.4
575.94385	0.2
685.04663	0.2
719.63239	0.2
781.74298	0.2
832.51703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	2.5
77.03907	0.6
79.05489	15.1
81.03416	25.6
81.07055	13.4
81.65614	0.5
83.04975	7.7
83.08622	9.1
85.02477	0.5
85.02907	6.6
85.06510	1.0
91.05473	19.3
93.07037	8.2
95.04965	13.3
95.08602	6.6
97.02856	2.1
97.06527	3.3
97.10175	2.9
97.10714	0.5
99.08057	0.7
103.05450	1.4
105.04493	0.9
105.07021	11.5
105.07720	0.7
107.04948	6.1
107.08591	4.1
109.02893	0.6
109.06490	3.4
109.10136	2.7
110.02954	0.5
111.04402	1.9
111.08071	4.0
113.05996	1.0
115.05438	2.6
117.03265	0.6
117.07016	3.1
119.04937	0.6
119.08565	9.5
121.02851	0.8
121.06505	1.4
121.10142	4.0
123.04431	2.5
123.08038	1.7
123.11687	1.1
125.09591	1.6
128.06195	1.4
129.06987	6.8
131.04893	1.0
131.08575	6.7
133.06479	2.4
133.10109	6.4
133.29565	0.5
135.04333	0.5
135.08032	0.6
135.11700	0.8
137.05948	0.5
137.09625	1.3
139.05432	0.8
141.05847	0.4
141.06953	2.2
142.07745	1.3
143.04907	0.9
145.06432	1.9
145.10118	2.7
147.04376	1.4
147.07999	1.3
147.11688	6.4
149.05939	1.4
149.09581	3.5
151.11226	0.5
153.07005	2.3
155.04958	1.3
155.06064	0.5
155.08569	1.2
157.06451	1.6
157.10106	5.0
161.05986	8.4
163.03885	5.4
163.11163	2.6
165.05457	2.3
165.06963	1.3
165.12738	1.7
167.04822	0.6
167.08539	1.3
169.06389	2.6
171.04399	0.8
171.08018	1.6
173.05975	54.1
173.09511	3.9
175.03873	1.4
175.07556	2.8
175.11171	6.2
177.05496	1.6
179.05453	0.5
179.08540	1.0
181.06471	4.3
181.09978	0.7
183.08023	1.6
184.05174	0.9
185.05980	5.1
187.03899	2.2
187.07527	12.2
189.05472	4.7
189.09090	1.2
191.03357	0.6
191.10616	2.1
193.06468	1.2
193.12221	15.9
195.08066	2.8
197.05962	6.5
197.09589	1.0
199.03854	2.1
199.07527	16.8
200.04668	1.1
201.05450	24.4
201.09149	1.6
203.06995	2.1
205.08556	0.6
207.08116	1.3
209.06009	1.1
209.09644	0.8
210.06680	1.2
211.07547	8.4
211.13281	29.9
212.08191	0.7
213.05476	16.5
213.09009	8.0
215.03392	1.2
215.06964	5.3
217.04948	75.3
218.05321	0.7
219.13770	3.1
221.06041	0.7
221.09680	0.7
221.13309	0.6
223.07561	2.3
225.05533	4.1
225.09128	3.5
226.06223	1.2
227.03372	1.1
227.07008	8.7
227.10643	1.2
229.04971	8.7
229.08601	1.6
231.06427	1.4
235.07472	1.0
237.09102	1.0
237.12788	0.6
239.07059	3.7
239.10715	1.2
241.04889	2.2
241.08559	2.2
241.12256	1.4
243.06488	2.5
247.11169	0.8
249.09137	0.7
249.12695	1.2
249.14949	0.7
251.07144	1.2
251.10509	1.2
253.08675	1.2
253.12308	0.7
255.06531	0.9
255.13774	1.2
257.08002	0.5
257.15448	0.6
263.14331	1.2
265.08633	0.7
265.12216	4.1
267.10071	0.7
267.10767	0.8
267.13351	4.8
267.16248	5.5
273.07513	1.2
275.10605	0.9
277.08286	0.6
277.12161	0.7
281.15387	2.8
283.13242	3.3
285.17084	12.9
291.13776	1.9
293.11740	2.0
295.13397	1.1
299.16278	1.0
309.14813	4.4
311.12744	18.8
313.14255	8.2
319.13138	1.3
327.15878	5.5
329.13809	56.8
337.14316	11.2
337.18250	0.6
347.14923	1.6
355.15402	17.1
359.18329	0.6
367.17203	0.7
373.16498	6.8
385.16415	100.0
386.16788	1.4
387.17563	0.6
388.20822	0.6
391.17618	1.5
403.17529	10.1
411.12607	0.7
411.18060	10.3
429.19061	33.6
447.20145	4.1
485.17780	2.4
512.49951	0.5
529.20514	1.6
547.27533	1.0
559.22003	0.9
577.28442	3.4
593.30536	0.9
595.28937	23.3
603.30005	4.6
611.31531	0.9
613.30048	16.3
621.31555	14.3
639.31555	21.9
657.32660	18.4
695.27917	0.6
751.32733	0.9
769.33997	5.6
787.34937	2.5
795.35608	1.7
813.36639	7.3
831.23090	0.8
831.38049	10.4
1028.50293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
75.92485	0.3
79.79050	0.2
96.10384	0.2
97.59682	0.3
98.22778	0.3
172.10474	0.3
174.48459	0.3
208.49611	0.3
258.89172	0.2
270.69745	0.2
363.06827	2.5
372.49979	0.3
381.07928	1.5
525.12085	5.0
543.13214	3.5
687.17426	1.9
705.18335	2.8
849.22687	4.3
867.23608	4.4
918.18585	0.3
1029.29041	100.0
1030.29041	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	1029.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
98.97623	1.0
110.76868	0.3
110.97626	0.9
116.98646	0.4
123.34814	0.3
128.98616	0.6
158.99608	1.6
170.99628	2.3
177.00783	0.6
178.65067	0.3
189.00714	2.1
201.00851	0.9
219.01724	2.0
231.01855	0.5
235.31168	0.3
237.02884	0.4
249.02884	0.6
261.02954	0.9
279.04117	0.8
279.73969	0.3
291.03787	2.5
314.83221	0.3
321.05075	0.3
363.06787	2.4
375.23178	0.3
381.07324	2.0
399.08246	0.5
453.09323	0.9
525.12122	4.1
543.12744	5.1
687.17346	2.3
705.18494	3.1
849.22668	5.0
867.23566	4.1
1029.29016	100.0
1030.28333	1.9
1040.28308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03946	8.3
60.08157	4.3
60.92723	0.7
62.49709	0.6
63.24006	0.7
69.03436	0.8
69.81369	2.4
70.86993	0.6
77.03936	12.9
77.59936	0.7
81.03400	0.8
81.93889	0.8
86.06079	1.0
87.04498	1.1
95.04969	31.6
97.37016	0.6
102.04686	3.1
103.05469	100.0
104.05799	4.0
104.10747	13.6
105.04514	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	1031.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03899	0.1
79.05499	0.7
80.04984	0.4
81.03390	0.2
81.07026	0.4
82.06551	0.2
83.01322	0.2
83.04988	0.8
83.07327	0.5
86.06040	0.3
89.75125	0.1
91.05466	0.9
93.05772	0.1
93.07044	0.6
94.06539	0.4
95.04962	0.7
95.08593	0.5
96.04488	0.1
96.08118	0.7
97.02887	0.1
97.06507	0.3
98.06034	0.3
98.09712	0.1
99.04427	0.3
103.05447	0.2
105.07021	0.7
106.06542	0.9
107.04929	0.2
107.08562	0.4
108.08149	0.5
109.06507	0.3
109.10134	0.2
111.04435	0.3
111.08070	0.8
117.06960	0.4
118.06541	0.6
119.07297	0.5
119.08560	0.7
120.08102	3.1
121.06504	1.6
121.08860	0.1
121.10124	0.2
122.09618	0.4
123.04323	0.1
123.07996	0.2
124.11210	0.6
125.05976	0.2
126.12780	0.3
127.03903	0.3
128.06157	0.2
130.06497	0.3
131.04860	0.2
131.08586	0.5
132.08073	0.4
133.05217	0.3
133.06464	0.3
133.08777	0.1
133.10138	0.2
134.06029	0.2
134.09654	0.6
135.04393	0.2
135.08038	0.6
135.81145	0.1
136.11183	0.4
137.05962	0.1
137.09634	0.6
138.12762	0.8
139.03867	0.5
139.07556	0.2
141.06917	0.2
143.08563	0.2
144.05757	0.1
144.08080	0.4
145.06396	0.2
145.10117	0.3
146.06024	0.2
146.09645	0.6
147.04454	0.1
147.06789	0.5
147.08026	1.2
147.10359	0.1
147.11621	0.2
148.07581	1.5
148.11171	0.4
149.05972	0.4
149.08383	0.2
149.09595	0.4
149.13152	0.1
149.82259	0.1
150.09128	0.2
151.03880	0.2
151.07564	0.2
152.10619	0.2
153.05380	0.2
154.12259	0.6
155.03313	0.2
158.09685	0.4
159.08028	0.4
160.07512	0.2
160.11226	0.5
161.05948	0.1
161.08365	0.3
161.09618	0.3
161.11987	0.1
161.13177	0.1
162.09134	2.6
162.12778	6.6
163.03879	0.2
163.07521	0.5
164.14348	1.6
165.05508	0.2
165.09106	0.4
166.06245	0.1
166.08664	0.1
167.03391	0.5
167.07033	0.3
170.09554	0.1
170.11775	0.3
172.11150	0.3
173.09595	0.3
174.09100	0.3
174.12764	0.4
175.07550	0.3
175.09904	0.3
175.14859	0.1
176.10687	0.7
176.14348	1.1
177.09030	0.2
177.12737	0.3
178.08636	0.2
179.07004	0.5
180.13858	0.2
181.08601	0.3
186.09138	0.2
186.12833	0.6
187.14809	0.2
188.10680	0.7
188.14337	0.2
189.09081	0.1
189.11363	0.2
190.12222	1.5
190.15929	0.3
191.13058	0.3
193.08469	0.2
195.10104	0.1
202.12292	0.4
203.09341	0.7
203.14342	0.7
204.10475	1.1
204.13828	18.4
204.17181	1.3
205.12315	0.2
205.15977	0.9
207.06502	0.4
208.13321	0.3
214.15837	0.7
215.14432	0.3
216.10138	0.1
216.17485	0.2
218.11728	1.5
218.15231	0.8
230.15407	0.3
231.13797	0.5
232.16951	7.4
233.15329	0.7
233.17496	0.2
237.07555	0.3
239.09094	1.7
242.15399	1.0
250.18060	2.4
251.09244	0.2
258.14917	0.4
260.16452	20.4
261.16760	0.2
265.07059	6.8
265.10602	0.5
278.17499	10.8
279.17926	0.2
283.08090	0.6
321.45331	0.1
335.11227	1.4
388.20981	0.8
389.21555	0.2
418.22360	0.8
480.23770	0.3
498.24789	0.8
516.25903	100.0
517.26318	1.5
518.02185	0.1
597.00616	0.2
947.41125	0.1
1015.87915	0.2
1031.36023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.6717
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05472	1.0
81.07055	4.4
83.08644	0.8
85.40008	0.7
86.09699	18.1
91.23072	0.8
93.06999	0.8
94.26340	0.6
95.08595	2.3
97.10178	1.0
98.22707	1.6
104.10735	94.8
107.08595	0.9
109.10162	1.0
121.10105	1.3
123.11667	0.8
141.91299	0.7
146.98169	17.3
150.82028	0.7
154.04536	0.7
162.80373	0.7
174.19154	0.7
176.99236	1.3
184.07272	0.9
191.60254	0.7
199.90518	0.6
337.27353	5.7
359.25592	0.7
439.22263	1.4
453.25397	0.8
483.24783	40.8
542.32123	100.0
543.32745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34611	0.1
58.06599	3.2
59.07375	0.8
60.08164	34.9
61.08501	0.4
65.79489	0.2
69.97178	0.2
69.97530	0.5
82.57774	0.2
83.67661	0.2
104.10741	100.0
105.11069	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.3
59.07388	1.1
60.08167	37.0
61.08492	0.3
66.62967	0.2
69.58468	0.5
70.23582	0.2
75.03608	0.2
87.04469	0.3
104.10749	100.0
105.10422	0.3
105.11079	2.0
106.84065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	3.2
59.06939	0.1
59.07379	1.0
60.08162	36.3
61.07879	0.0
61.08492	0.4
66.51009	0.0
67.46967	0.0
67.80745	0.0
68.05021	0.1
69.03432	0.8
69.18995	0.2
86.06066	0.5
86.09710	0.1
87.04462	1.9
88.04784	0.1
88.07595	0.1
98.22757	0.1
104.10738	100.0
105.10474	0.1
105.11060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65698	0.7
77.03817	1.0
79.05321	6.1
79.05843	1.9
89.03751	1.9
89.04277	1.1
90.04544	1.2
90.05042	0.7
91.05300	4.3
91.05914	0.9
95.04765	3.7
95.05428	1.3
98.22768	1.1
103.05266	11.5
103.06008	2.0
105.04308	1.8
105.06825	44.9
105.07615	7.6
115.05239	12.0
115.06116	1.6
118.03941	5.6
119.04720	3.4
121.06339	1.4
121.07109	0.6
123.04279	0.8
128.56656	0.6
131.04697	5.0
132.05527	1.0
132.96622	0.6
133.06256	39.4
133.07372	4.1
135.04292	0.7
136.05017	1.0
137.05789	0.8
143.04939	1.1
143.05814	3.8
147.04169	2.5
148.05014	1.2
149.05754	3.9
151.07475	2.7
153.05331	0.7
161.05730	53.4
161.07176	3.9
161.07802	1.7
162.06538	0.9
163.07277	2.7
164.08139	1.1
167.06789	1.7
175.03513	1.6
175.07336	1.0
176.04396	1.1
176.08064	2.3
177.05173	3.1
177.08865	2.2
179.07054	4.4
181.08456	0.8
184.04738	1.7
185.05571	0.9
189.05075	1.6
189.08925	1.0
191.07036	10.2
192.07576	1.9
193.08603	9.7
205.04721	41.4
205.08566	1.4
206.04871	0.7
207.06541	9.4
209.07843	1.4
215.06795	4.9
218.05376	1.1
219.09950	0.7
225.07289	1.1
230.05316	0.8
231.06114	1.0
232.07069	10.6
233.07581	1.0
235.09421	1.1
251.08830	1.0
251.30708	0.7
252.09651	0.5
267.08405	1.1
290.07480	0.8
291.08072	0.7
320.10120	1.2
351.11594	0.8
353.12140	1.2
365.09903	1.8
367.11044	0.7
373.31366	0.7
379.11020	0.6
380.12204	1.5
457.14835	0.9
471.16312	19.5
499.15683	1.1
509.17328	1.3
513.17206	0.7
529.16968	0.9
711.22247	3.4
739.25696	4.4
797.26733	4.3
887.30725	0.8
989.34082	88.3
990.34161	2.7
1049.36206	100.0
1050.35693	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.6
51.02377	5.2
53.03703	1.5
53.03945	23.7
54.04282	0.6
54.24961	0.6
55.01870	0.8
60.04496	0.7
69.54142	1.7
69.54527	1.2
70.40939	0.6
71.63426	0.6
77.03930	33.4
78.04241	0.7
81.03415	2.0
91.77772	0.6
95.04967	100.0
96.05300	2.6
98.99650	0.7
105.03393	64.9
105.04516	52.9
106.03729	1.9
106.04887	1.7
118.06543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01592	0.3
51.02378	0.9
53.03944	3.1
54.26542	0.2
60.04523	1.4
60.08150	0.6
61.08488	0.6
67.05569	0.2
70.97143	0.3
77.03929	6.3
78.04266	0.3
79.05491	38.8
80.05827	0.9
81.03419	0.3
84.92664	0.2
94.79534	0.2
95.04966	15.4
96.05307	0.2
103.05467	29.2
104.05772	0.7
105.04526	7.4
105.07027	100.0
105.11057	3.8
106.07362	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	1059.7523
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41252	0.1
84.74866	0.1
149.93649	0.1
277.45779	0.2
363.27560	0.3
375.27515	0.2
406.16595	0.1
411.29599	0.3
429.31100	0.2
467.32990	1.0
536.61853	0.2
541.37097	100.0
542.37402	2.2
731.95776	0.2
816.85065	0.1
1057.54761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03897	0.8
79.05492	13.7
81.03419	49.3
81.07059	12.2
83.04985	5.4
83.08625	8.8
85.02870	0.8
85.06514	1.0
89.03896	0.5
91.05482	19.4
92.37585	0.6
93.07047	8.3
93.90762	0.4
95.04968	19.4
95.08608	6.5
97.02845	1.7
97.06527	2.5
97.10171	2.6
99.08070	0.7
103.05443	1.0
105.03348	0.6
105.04469	1.7
105.06357	0.8
105.07027	11.4
107.04272	0.5
107.04959	8.8
107.08604	4.2
109.02825	1.4
109.05859	0.6
109.06516	7.3
109.10142	2.5
111.04435	2.5
111.05064	0.6
111.08074	3.2
115.05471	3.3
117.07028	3.0
119.04887	1.5
119.07768	0.6
119.08578	8.7
121.02823	1.4
121.06507	3.6
121.10152	5.4
123.04436	3.5
123.08064	2.6
125.02387	0.7
125.09568	2.0
128.06174	1.5
129.07013	9.2
131.04898	1.7
131.08568	7.2
133.06517	3.0
133.10133	4.8
135.04376	1.2
135.08096	2.9
135.11633	1.8
137.05907	1.4
137.09575	1.6
139.03819	0.9
139.05429	1.1
141.06950	2.1
142.07744	1.6
143.04932	1.3
143.08498	1.5
145.06488	2.7
145.10124	4.0
147.04424	2.4
147.07996	2.1
147.11674	3.9
149.05942	1.9
149.09642	4.8
151.03854	1.5
153.06993	4.4
155.04872	1.2
155.06036	0.6
155.08530	2.0
157.06499	2.9
157.10139	6.1
159.08138	0.6
161.05977	11.5
163.03914	7.9
163.07495	0.7
163.11143	4.3
165.05470	2.1
165.06972	1.8
165.12727	0.7
167.04893	1.2
167.08525	1.6
169.06454	2.4
171.04355	1.7
171.08046	2.0
173.05986	77.8
173.09314	2.8
173.13208	0.8
175.03937	2.5
175.07545	4.5
175.11195	4.7
177.05484	2.3
179.08566	1.5
181.06485	7.5
183.04402	0.9
183.08026	2.3
185.05978	7.5
186.06815	0.7
187.03894	3.4
187.07550	16.0
189.05487	8.1
189.09097	1.3
191.03322	0.9
191.07004	0.6
191.08652	0.6
191.10652	2.7
191.14276	2.9
193.06441	2.1
193.10356	0.8
193.12241	12.2
195.08098	4.1
196.57774	0.6
197.05981	8.3
197.09599	1.1
198.06708	1.5
199.03929	3.3
199.07538	23.0
200.04659	1.2
201.05463	29.5
201.09033	2.5
203.07051	2.7
205.12177	0.6
207.08032	2.0
209.05997	1.4
209.09613	0.8
209.11475	0.7
209.13321	0.6
210.06717	1.6
211.04015	0.6
211.07547	11.4
211.13274	1.8
212.08228	1.1
213.05481	24.9
213.09032	10.1
214.06134	0.8
215.03424	1.4
215.07028	6.6
215.10474	0.5
217.04956	91.7
218.05312	0.8
219.08070	0.9
219.11905	0.9
219.13802	23.6
221.05933	0.6
221.09653	1.1
223.07545	3.4
223.13179	0.8
224.08293	0.7
225.05455	6.9
225.09018	4.7
226.06305	2.4
227.03413	2.0
227.07030	11.8
227.10655	2.0
227.12740	0.7
228.07776	1.0
229.04976	11.8
229.08592	2.0
231.06508	1.8
234.06717	0.8
234.10506	0.6
235.07513	1.6
235.11194	1.0
237.05438	0.8
237.09105	1.2
239.07007	4.5
239.10657	2.0
240.07707	0.7
241.04971	2.6
241.08649	3.0
241.12231	1.3
243.06490	3.7
245.11632	0.9
247.07635	0.8
247.11147	1.1
249.09108	2.5
249.12735	2.6
250.09924	0.8
251.07127	1.5
251.10640	1.8
252.07739	0.6
253.04839	0.6
253.08603	1.8
253.12267	0.8
255.06502	0.7
255.13803	1.7
257.07947	0.7
257.15488	0.9
261.09140	0.7
263.07111	1.2
263.10352	0.6
263.12521	3.2
265.08606	1.7
265.12173	5.0
267.10806	0.9
267.13715	4.2
267.15955	24.1
269.08255	0.7
269.15289	0.6
273.07642	0.9
273.12592	0.6
275.10709	1.5
275.16443	0.7
276.11420	0.7
277.08752	0.8
277.12128	0.9
279.13843	0.6
281.15427	3.1
283.13266	5.5
285.14740	3.5
291.13849	2.9
293.11609	2.5
293.17563	1.8
295.13333	1.8
299.16360	2.2
301.11804	0.6
301.14838	0.6
303.16122	0.7
309.14810	6.1
311.12781	27.5
311.15961	0.9
313.14355	10.5
319.15829	3.4
323.16580	1.0
325.14536	0.6
327.15982	7.4
329.13824	67.9
330.14151	0.6
337.14218	13.3
337.17697	0.8
339.15936	1.3
347.15030	1.5
355.15396	17.1
359.18622	0.7
373.16492	6.8
377.17508	1.0
385.16440	100.0
386.16766	1.1
387.18253	1.4
388.21225	0.9
391.17450	1.1
393.16867	0.8
401.19888	1.1
403.17526	10.9
411.18015	11.0
429.19110	34.3
430.19772	0.6
447.19983	3.4
475.25220	0.6
485.17880	3.0
501.26392	1.1
503.19214	1.5
511.24951	0.8
519.28088	1.2
529.19537	1.0
529.27179	2.6
547.27692	3.9
553.28943	0.6
559.21826	1.1
565.28125	1.6
567.29230	0.8
575.29889	0.8
577.28955	5.4
579.30200	0.9
593.30975	2.6
595.28912	28.5
603.29700	24.0
621.31000	73.3
622.31128	1.5
639.31616	45.8
640.32269	0.7
669.37274	0.6
671.33112	0.7
739.33942	0.6
751.32880	1.0
769.34430	3.8
776.80981	0.6
777.35077	1.2
795.35651	6.6
813.36871	36.5
814.37476	1.2
831.37622	3.5
901.98535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	1.4
81.03416	13.9
81.07057	0.8
83.01373	0.4
83.04970	0.6
83.59977	0.4
84.08154	0.4
85.02902	29.1
87.00826	12.4
87.04472	0.6
91.03931	1.2
91.05479	17.2
91.06058	0.8
93.07039	0.9
95.04985	1.3
95.61794	0.4
96.06779	0.3
97.02892	18.9
98.23524	0.7
99.04459	6.8
103.03924	0.5
103.05459	1.1
105.01858	8.3
105.07016	4.3
107.04946	5.4
109.02872	13.1
109.06546	0.8
109.07324	0.3
109.10138	0.5
111.04439	2.8
115.03923	0.8
115.05457	1.2
117.01835	1.7
117.07039	0.7
119.04939	25.6
119.08575	0.6
121.06508	3.9
123.04375	0.9
124.05203	1.2
127.03913	26.6
128.06245	0.4
129.01825	2.9
129.07010	2.5
131.04921	2.6
133.06482	5.2
135.04436	0.6
135.08022	0.9
137.05960	2.6
138.06757	0.9
139.07536	5.4
143.04871	0.5
145.04956	14.3
145.06479	2.4
147.02866	1.7
148.05119	0.6
149.05940	3.1
151.07541	6.7
153.07037	0.4
157.06474	3.0
159.02895	9.9
159.08035	0.9
161.06010	2.0
163.03951	0.6
163.07539	1.5
164.08342	1.6
165.05574	0.4
165.06969	0.7
165.09174	0.6
169.06358	0.5
171.02888	0.5
171.04404	0.5
171.07964	0.5
173.05992	1.7
175.07587	2.2
177.04010	0.8
177.09158	1.2
179.08607	0.6
181.06483	1.3
181.08553	0.8
182.07292	0.6
183.08131	0.4
185.05981	0.6
187.07462	0.5
189.03920	0.8
189.09138	0.9
191.06996	0.4
193.08620	4.6
194.07338	0.5
195.08073	0.8
197.05878	0.6
197.09573	2.1
199.07494	1.3
201.05475	0.9
201.09045	0.8
205.06747	0.6
205.08563	2.9
206.07271	0.6
208.08791	1.1
209.05879	0.6
210.06834	0.7
211.07492	1.0
213.03868	1.3
213.05519	1.1
213.09123	0.7
217.04991	1.1
217.08525	0.8
221.09688	0.5
223.07593	0.5
224.08275	1.3
225.09109	1.6
226.09898	1.1
227.06979	1.1
227.10695	0.9
231.04977	6.3
235.07637	0.7
237.09016	0.7
238.09827	0.6
239.10669	1.3
241.08670	1.1
241.12137	0.5
242.09346	2.6
243.09822	0.4
248.08287	0.9
249.06030	1.2
249.09053	0.8
250.09888	0.8
251.10629	1.2
253.12160	0.9
254.09409	0.6
255.10210	1.9
256.10870	0.8
257.11725	100.0
258.12097	1.1
259.09708	0.7
264.07770	0.8
265.08649	0.6
266.09341	1.4
267.10178	10.9
269.11691	15.0
271.09647	1.2
271.13196	0.8
278.09302	0.7
279.10150	6.6
281.11719	22.6
283.09680	1.1
283.13162	0.8
288.11435	0.4
291.10248	2.5
293.11731	3.9
295.10355	0.4
295.13181	2.5
297.11218	1.0
299.12778	39.3
305.11655	1.7
309.11084	1.2
309.14536	0.6
311.12784	1.8
319.13293	2.8
323.12756	19.8
329.11710	1.2
337.14423	2.3
341.09906	0.4
341.13739	1.8
347.12775	9.1
353.13690	0.7
363.10690	1.8
365.13840	28.7
366.14380	0.5
383.14841	4.4
385.16440	1.1
388.21201	2.4
389.21585	0.6
411.17767	0.5
425.16193	0.5
429.19009	1.3
433.13150	0.6
439.13785	1.4
451.13882	8.5
469.14972	20.8
487.15958	17.3
505.17007	6.3
601.29260	0.5
637.30280	0.5
655.31134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.7164
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	0.9
80.05004	0.3
81.03409	0.1
81.05804	0.1
81.07040	0.8
82.06584	1.5
83.01360	0.4
83.04966	0.5
83.07361	0.6
83.08617	3.8
84.08143	0.4
85.02872	0.1
85.06532	0.3
85.28232	0.1
86.06061	0.2
86.58871	0.1
87.42670	0.1
91.05473	1.1
93.07047	0.9
94.06561	0.3
95.04960	0.6
95.08585	0.2
96.08125	3.3
97.02869	0.1
98.06043	0.2
98.09705	0.9
99.04440	0.5
100.07619	1.7
100.11252	25.0
101.05997	0.1
101.11604	0.1
102.15689	0.1
103.05476	0.1
105.04501	0.2
105.07014	0.9
106.06535	0.1
107.04973	0.4
107.08576	0.7
108.08132	0.2
109.06511	0.3
109.08966	0.1
110.06033	1.0
110.09665	0.2
111.04433	2.9
111.08055	0.2
112.07580	0.7
112.11256	0.2
115.03925	0.1
115.05499	0.1
117.07014	0.4
117.13883	0.4
119.04961	0.2
119.08580	0.7
120.08089	0.3
121.06490	0.5
121.10163	0.2
122.09671	0.2
123.04413	0.1
123.08053	0.2
124.11231	0.2
125.01701	0.1
126.09150	0.7
126.12762	0.1
127.03926	0.8
127.08674	1.0
128.06248	0.1
128.07071	2.4
128.08017	0.1
128.10709	0.4
129.05476	0.2
129.07007	0.3
131.08556	0.5
133.06477	0.2
133.10129	0.1
134.09644	0.4
135.06880	0.1
135.08067	0.3
136.11212	1.6
137.05994	0.2
137.09596	0.1
138.12775	8.5
139.07622	0.1
139.08652	2.1
140.07056	1.3
141.05466	0.3
141.06992	0.1
143.08585	0.3
145.06511	0.3
145.10129	0.3
147.07996	0.4
147.11667	0.5
148.08853	0.2
148.11253	0.1
149.05972	0.2
149.08401	0.1
149.09612	0.3
149.13234	0.3
150.09238	0.1
150.12767	0.1
151.03978	0.2
151.07582	0.2
152.10704	0.3
152.14470	0.1
153.05487	0.2
154.07776	0.2
154.12302	0.2
155.03387	1.5
155.07051	0.5
155.08311	0.1
157.06493	0.1
157.10028	0.1
159.08043	0.6
159.11745	0.3
160.11211	0.1
161.06006	0.2
161.09639	0.2
162.06805	0.1
162.09132	0.4
162.12833	0.2
163.11218	0.1
164.10733	0.5
164.14365	0.4
165.05470	0.7
165.09129	0.2
166.12291	0.1
166.15919	0.4
167.07074	0.7
168.13885	0.1
169.10095	0.4
171.07999	0.1
172.08867	0.1
173.05994	0.3
173.09642	0.3
174.12794	0.2
175.07576	0.4
175.11180	0.2
176.10738	0.2
176.14326	1.7
177.09166	0.2
178.15942	0.1
179.07039	0.3
179.08568	0.1
180.58464	0.1
181.04953	0.3
182.15402	10.7
183.06522	0.6
183.07980	0.1
186.10487	0.1
187.07587	0.3
187.11143	0.4
188.14392	0.2
189.09087	0.2
190.12268	0.1
191.07019	0.2
192.13811	0.6
193.08597	0.1
193.12434	0.1
195.06526	0.4
197.09627	0.5
199.11133	0.1
199.21588	0.1
201.09125	0.3
201.12697	0.2
203.07091	0.1
203.16727	0.1
204.13783	0.8
204.17542	0.1
205.08617	0.4
205.12657	0.1
205.14542	0.5
206.15421	0.6
207.06561	0.5
207.10080	0.4
209.16484	13.7
210.14886	17.2
211.07608	0.1
214.15868	0.1
215.10701	0.4
217.08694	0.2
219.06487	0.1
219.10118	0.2
219.13844	0.1
220.07300	0.1
221.07957	0.6
225.09152	0.3
226.19110	2.7
227.17528	1.3
228.15913	1.6
229.08553	0.2
229.12141	0.1
231.10234	0.1
232.16986	0.3
233.08052	0.8
234.18587	0.7
235.09511	0.1
237.11241	0.1
239.10614	0.1
241.08675	0.1
243.10072	0.2
245.18542	0.2
247.09641	0.3
249.11168	0.2
253.08537	0.3
257.11801	0.2
260.16391	0.2
261.11252	0.3
262.18103	0.3
263.09134	0.8
273.11151	1.4
275.12759	6.1
283.13367	0.1
285.11282	0.5
297.11386	0.1
308.27020	0.3
309.25299	1.0
313.17935	0.1
317.19873	0.1
325.29807	0.1
326.28000	3.1
330.16699	0.1
335.24588	0.5
336.22794	2.4
337.21191	0.6
341.17349	0.5
343.30652	1.3
345.19476	0.2
354.23868	0.1
358.20209	0.2
359.18564	0.2
360.21872	0.5
370.20197	0.2
373.18961	0.1
377.13773	0.1
388.21152	83.9
389.21457	1.4
396.94150	0.1
404.21121	0.1
415.13809	0.1
417.15613	0.1
417.32211	0.2
434.35025	0.2
435.33334	1.2
436.31592	0.4
452.35968	1.8
453.34415	0.9
534.43951	0.3
551.46136	0.1
552.44720	0.9
562.39960	0.2
569.47424	0.1
581.61505	0.1
641.22485	0.1
643.49231	0.1
661.50079	5.5
679.51086	100.0
680.51447	2.6
706.14539	0.1
718.46497	0.1
752.43127	0.1
761.75934	0.1
1006.10675	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	1068.42
Annotation	Unknow
Peak:m/z	Relative Intensity
103.96783	0.5
115.59794	0.5
124.62006	0.6
128.60722	0.5
149.05750	6.5
151.03706	1.7
183.06506	1.7
188.14345	1.1
193.95453	0.5
201.07576	0.8
207.06581	0.6
210.09026	1.0
270.11008	0.9
304.15445	2.6
308.12537	6.2
309.13333	7.4
326.13583	9.3
327.14249	1.7
392.18216	0.7
395.11096	3.1
410.13403	9.7
436.17224	5.9
454.18372	100.0
455.18866	2.0
578.54559	0.7
637.22522	77.3
638.23199	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08154	0.5
86.09700	1.4
110.07167	1.0
116.00024	0.4
120.08175	0.4
128.62546	0.4
137.06003	0.6
147.04440	0.4
149.05730	3.3
151.03636	0.6
175.44574	0.4
175.68880	0.4
183.06551	0.6
183.56500	0.4
185.16705	0.5
188.14417	0.8
210.08905	0.9
226.12032	0.4
271.11896	0.7
284.12564	4.1
286.14340	0.6
304.15387	1.4
308.12567	4.0
309.13336	5.8
325.12900	0.6
326.13614	3.5
327.14441	1.0
392.18381	2.0
410.19067	0.5
418.16116	0.5
436.17450	4.4
454.18362	100.0
455.18692	1.8
637.22284	5.9
680.62793	0.5
1068.10229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02394	0.6
53.03947	2.2
53.50205	0.2
61.04863	0.7
65.03924	0.4
69.42937	1.1
77.03930	2.3
79.05493	100.0
79.93903	0.3
80.05045	1.3
80.05820	2.5
81.04539	0.4
83.52351	0.3
84.01546	0.3
91.05494	1.7
95.04358	0.5
95.04971	8.8
101.25194	0.3
105.04522	4.3
105.07051	0.5
105.43587	0.2
107.04954	8.3
107.08587	0.6
108.04502	1.8
108.05177	0.4
108.08118	0.6
115.76298	0.3
119.06085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.65110	0.3
51.02388	1.5
53.03947	5.9
55.01862	0.4
65.03926	0.3
69.53311	1.1
72.10376	0.3
77.03932	11.1
79.05493	14.5
81.03426	0.8
91.05466	1.5
95.04971	26.6
96.05303	0.7
105.04516	12.8
105.06990	0.5
107.04955	100.0
108.04650	0.4
108.05299	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	1.8
54.46217	1.0
60.89258	0.8
65.03946	11.6
67.05510	3.6
70.23831	0.8
70.71677	1.0
70.73532	1.6
77.03917	1.3
79.05498	42.3
80.05022	2.5
80.05836	1.8
91.05486	100.0
92.05801	2.8
92.06273	3.7
93.05766	1.2
95.04996	4.3
105.04578	0.9
105.07037	33.7
107.04966	6.8
107.08599	52.4
108.04482	2.7
108.08123	6.1
108.08881	2.1
109.06514	14.9
119.06072	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	1074.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
77.42120	0.2
79.05040	0.3
79.05498	4.5
81.07058	15.7
82.17290	0.2
83.04971	0.7
83.08624	5.2
85.06524	0.4
91.05479	3.2
92.10444	0.2
93.07047	4.3
95.04958	0.3
95.08609	12.7
97.06535	1.0
97.10169	2.3
98.06026	0.2
98.98468	0.3
99.08105	0.5
105.04503	0.3
105.07039	2.4
107.08599	2.5
109.06503	0.4
109.10162	5.0
111.08107	0.6
111.11710	0.7
119.08573	2.2
121.06548	0.3
121.10152	2.3
123.08061	0.3
123.11716	2.1
124.01611	0.3
124.36073	0.2
125.09669	0.4
133.10152	2.3
135.11728	1.3
137.09636	0.3
137.13255	0.9
139.11188	0.3
142.02673	0.2
147.11699	1.2
149.13269	0.7
149.46971	0.2
151.11269	0.2
151.14856	0.4
153.12730	0.3
161.13280	0.7
163.14848	0.6
175.14828	0.6
177.16328	0.3
189.16348	0.2
198.05264	0.5
203.17899	0.2
216.06329	0.9
232.38232	0.2
245.22630	0.3
250.57468	0.2
252.65488	0.2
263.23721	1.0
306.27905	2.9
334.94211	0.2
337.27371	100.0
338.27661	1.4
356.81967	0.2
359.32004	0.2
361.37753	0.2
460.28143	0.9
478.29315	5.6
500.27054	0.3
715.17877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	5.4
55.05512	10.2
61.64766	0.5
64.80027	0.6
65.03949	4.2
66.04736	1.0
67.05507	100.0
68.05854	1.2
68.76691	0.5
69.07072	5.5
69.46050	1.0
69.46430	1.2
71.44608	0.5
79.05496	23.4
80.06310	1.0
81.03421	2.6
81.07060	42.8
81.96309	0.5
82.07409	0.9
88.88985	0.6
91.05488	2.2
94.04189	1.2
94.07830	1.5
95.04967	0.7
98.22683	1.2
103.78738	0.5
107.08627	3.8
109.02866	1.1
109.06522	37.9
109.10161	74.7
110.06027	1.7
110.06823	0.8
110.10473	3.1
115.54218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03957	4.4
55.05514	8.4
58.62626	0.5
65.03940	2.5
66.10866	0.5
67.05505	100.0
68.05847	1.4
69.07065	6.9
70.54207	1.4
73.23512	0.6
79.05500	6.4
80.06282	0.9
81.03416	4.6
81.07056	31.4
81.15764	0.5
82.06583	0.6
91.05484	1.1
94.07838	1.2
105.95666	0.6
106.75364	0.7
107.08598	4.2
109.02892	2.2
109.06535	1.3
109.07642	2.1
109.10155	72.5
110.06038	5.2
110.10484	2.3
119.31406	0.6
123.86158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28700	0.4
56.05036	14.3
56.50094	0.5
57.24913	0.4
65.47414	0.4
69.04565	0.5
70.83179	0.8
73.10313	0.5
81.04543	4.9
82.05321	3.6
83.06105	77.9
84.06430	1.0
93.04528	53.2
94.04875	1.1
110.07165	100.0
111.05566	1.3
111.07513	2.4
127.23503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
52.88924	0.7
54.89298	0.8
56.05033	14.7
66.49567	0.7
68.05033	5.9
68.21284	0.8
70.12425	2.3
70.87620	0.8
81.04541	5.8
82.05313	7.6
82.06564	2.4
83.06104	87.0
84.06412	1.2
91.11940	0.8
93.04527	55.2
94.04861	0.9
98.23563	0.7
109.51421	0.8
109.97133	0.7
110.06084	7.5
110.07163	100.0
111.05582	9.5
111.07505	2.1
116.08419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.7136
Annotation	Unknow
Peak:m/z	Relative Intensity
79.64062	0.4
84.08134	0.7
85.02902	2.8
86.09702	100.0
87.10049	0.6
88.07626	28.5
90.05539	1.2
95.08603	0.5
96.08137	0.6
98.06052	4.8
98.09696	0.7
100.03987	1.0
100.11252	65.8
114.09161	17.9
114.09803	0.4
115.08612	0.6
116.07095	5.3
126.05490	4.0
126.09117	0.4
127.08683	0.7
128.07130	0.5
128.10721	4.8
129.03696	0.4
131.03371	1.0
132.10153	0.9
138.09154	1.1
138.17540	0.5
139.08676	0.7
140.14349	1.4
142.08627	6.5
144.06546	2.0
146.11739	2.8
148.06035	2.0
152.10693	0.9
154.08664	0.6
155.11743	1.1
155.15443	0.6
156.10197	3.9
157.13385	1.6
166.08629	2.2
167.08104	0.8
168.10184	0.7
169.13351	0.8
173.12878	4.2
183.11290	1.2
183.14906	18.6
184.09671	7.5
185.09207	0.7
185.16458	6.5
186.04884	0.5
193.13185	0.5
197.12828	2.0
197.16486	2.6
199.14500	0.6
201.12311	1.4
201.15961	13.4
202.10709	7.5
210.14919	1.7
211.14418	4.6
212.09163	2.5
213.15964	6.5
215.13921	1.0
217.15437	0.6
220.11891	3.9
223.18066	1.1
224.16417	1.8
225.16014	3.4
227.17455	3.2
229.15480	5.0
230.10231	11.3
241.19043	1.5
243.17072	0.7
248.11293	5.3
258.09827	0.7
258.13306	1.6
267.13275	0.5
268.20068	1.2
276.10757	1.5
276.14429	3.0
280.16397	0.9
282.18146	2.1
296.19769	1.0
298.17688	0.8
298.21124	1.7
300.19034	1.3
301.13898	1.0
309.14545	2.3
310.21140	1.3
311.19620	1.3
316.18622	0.7
319.14832	1.9
324.22824	15.4
326.24152	0.6
327.15466	4.5
328.22321	3.1
329.20810	0.9
338.24286	1.9
340.25967	0.6
342.23871	21.7
345.16568	6.1
347.14337	0.7
347.21631	1.7
355.15009	1.3
356.25143	1.0
357.20029	0.7
363.17676	1.0
373.15900	1.9
375.21252	2.6
393.25229	0.6
395.26401	3.0
413.27704	0.8
423.29404	2.0
425.27145	1.0
430.25729	0.5
441.30780	5.6
444.26752	0.8
446.24750	1.2
451.32828	1.1
454.25446	0.6
469.33984	2.7
472.26581	9.1
488.29449	0.5
490.27582	1.2
508.34906	3.4
524.60895	0.5
538.35571	1.3
540.36957	0.8
553.32324	0.8
554.38550	1.1
556.36487	0.8
557.31366	0.7
559.33124	0.5
571.33356	1.1
585.34924	2.8
589.34125	0.7
599.32440	0.6
603.35645	1.4
639.44220	0.6
653.45398	1.5
654.36853	1.7
670.39941	1.2
671.44800	0.6
672.38135	2.7
688.40656	0.9
690.39081	1.4
698.31915	0.5
698.43268	8.4
716.44415	12.9
718.48022	0.7
736.49591	1.1
754.49762	1.7
767.45331	2.4
785.46222	4.9
803.47784	2.3
815.50214	0.7
829.52063	1.1
837.57306	0.9
863.59387	3.9
881.60425	6.1
898.53656	1.5
900.55127	0.7
916.55267	1.0
979.58179	0.6
1050.26343	0.7
1066.66638	1.2
1082.68591	0.6
1084.67847	1.9
1092.68604	3.7
1100.69702	1.5
1110.70117	17.7
1111.68176	0.9
1115.52637	0.6
1128.71509	13.2
1136.91565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.7134
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06559	1.0
84.08128	1.5
85.02899	2.5
86.09702	100.0
88.07625	30.6
90.05547	1.8
98.06049	4.5
98.09733	0.9
100.11251	67.6
114.09164	17.3
115.08566	0.6
116.07085	6.0
126.05527	3.2
126.12878	0.8
127.08686	2.2
128.10715	3.7
130.04889	0.8
132.10213	1.4
133.24045	0.8
138.09164	1.8
140.14360	2.0
142.08644	6.4
144.06534	1.9
146.11749	2.3
148.06053	1.9
152.10680	1.1
155.11806	1.0
156.10193	4.5
157.13348	0.9
166.08632	2.1
167.08191	0.8
167.11794	0.7
169.13358	1.5
173.12846	4.4
180.10176	0.8
183.11334	1.4
183.14915	14.1
184.09697	7.6
185.09254	0.9
185.16522	6.6
197.12842	1.6
197.16479	3.0
201.12340	2.0
201.15974	12.1
202.10773	7.2
210.14877	1.7
211.14401	4.9
212.09175	2.1
213.15968	6.6
215.14000	0.9
220.11833	3.2
223.18056	0.9
224.16478	1.9
225.15862	3.9
227.17516	3.3
229.15460	4.3
230.10249	9.9
241.19141	1.0
248.11279	4.9
258.09967	1.4
258.13345	1.4
267.13449	0.7
268.20102	0.9
271.07840	0.7
276.10834	1.8
276.14453	3.5
280.16608	0.9
282.18182	2.9
298.17798	1.3
298.21194	1.3
301.14319	1.3
309.14505	3.2
310.21335	1.4
311.19632	1.4
319.15048	1.6
324.22794	13.9
326.24435	1.7
327.15543	5.0
328.22418	3.5
338.24365	2.2
342.23856	23.0
345.16409	6.3
347.21890	1.8
355.15042	1.8
363.17761	1.3
373.15918	1.6
375.21347	2.5
395.26474	3.5
409.27808	1.1
413.27426	2.0
423.29813	2.1
425.27225	0.8
430.25507	0.8
441.30603	6.8
443.28656	0.8
446.24902	1.1
451.32611	1.6
469.33679	4.2
472.26553	12.5
508.34814	5.7
526.36029	0.8
538.36017	1.1
540.37469	1.1
553.32275	1.2
585.34979	6.3
589.34650	1.3
603.35699	2.3
653.45959	3.7
654.37042	1.7
670.39575	0.7
672.38446	4.0
688.41205	0.8
690.39746	1.5
698.43365	9.4
716.44385	18.1
736.49390	2.4
754.50763	1.0
767.45276	2.5
785.46375	5.7
803.47571	3.3
815.50568	1.8
829.52429	1.3
837.57568	1.4
863.59369	4.0
880.53046	0.9
881.60724	8.7
898.53931	1.4
900.55560	2.2
916.54968	1.1
928.58911	1.0
997.61401	1.5
1084.68872	1.9
1092.69153	4.3
1110.69983	20.9
1111.69470	1.3
1128.71265	17.1
1129.70923	1.0
1169.39380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03396	2.8
83.04979	1.2
85.02912	1.0
85.66593	0.8
88.25169	0.6
89.03912	4.6
91.05483	1.3
93.03381	2.5
95.04961	3.5
98.22740	1.3
99.04438	1.4
103.05476	1.3
105.03376	1.1
105.04524	1.3
107.04966	6.0
109.02864	3.7
111.00809	10.7
111.04432	8.7
115.05460	2.2
117.03352	2.0
117.06967	0.9
119.04943	2.2
121.02831	2.4
123.04427	65.1
127.03911	76.0
129.07054	0.9
131.04930	4.3
135.04411	66.7
137.02324	4.8
137.05948	1.0
139.03893	47.0
141.06972	2.0
143.04872	1.9
145.02834	1.3
147.04384	7.5
149.02335	9.1
149.05934	2.2
151.03903	16.8
151.05054	1.5
155.04922	2.1
157.06480	1.7
159.04417	3.5
161.02324	1.0
161.05988	5.5
163.03891	61.9
165.01877	1.3
165.05484	4.4
167.03432	4.9
167.04732	1.2
169.04915	2.3
169.06444	1.9
171.04417	1.3
173.02393	1.0
173.05995	4.4
175.03873	4.3
177.05457	9.8
179.03394	8.8
181.04993	1.6
181.06477	1.6
182.76199	0.8
183.04385	2.4
185.05977	2.0
187.03857	8.2
187.07463	1.1
189.01811	1.0
189.05472	3.8
189.75215	0.7
191.03386	12.8
193.04924	1.8
197.05952	5.0
201.05470	11.3
203.03369	14.4
203.07040	1.4
205.05048	4.1
211.03889	0.8
213.05469	3.5
215.03439	4.2
215.06970	3.0
217.04942	2.8
219.06355	1.7
223.02301	2.0
225.05406	3.2
227.03387	0.8
227.06953	0.9
229.01587	0.8
229.04939	15.9
231.02800	1.2
231.06505	3.7
233.04324	5.8
237.05481	1.6
241.04916	4.4
243.02875	1.8
243.06480	6.3
245.04443	100.0
246.04781	1.2
247.06007	62.8
253.04967	2.7
255.06528	3.0
257.01907	1.3
257.04465	18.9
258.05173	3.1
259.05994	10.6
261.07523	3.7
263.05301	2.0
267.06479	1.0
269.04492	6.8
271.05988	29.5
273.03830	1.1
273.07568	1.7
274.04645	5.5
275.05463	27.4
279.06387	1.1
281.04456	2.1
283.06039	10.1
285.03915	3.6
285.07419	2.1
286.04535	1.2
287.05444	30.9
289.07037	47.0
290.07327	1.0
291.05414	1.1
291.08633	19.8
295.05994	3.2
297.04010	4.6
297.07092	1.2
299.05453	6.3
301.07004	12.4
303.05136	1.3
303.08725	1.5
307.05920	1.6
309.03833	1.5
309.07382	1.3
311.05450	3.0
313.06955	2.5
317.07852	1.4
319.06064	1.2
321.07590	0.9
323.05502	3.1
331.07980	1.6
333.07419	1.0
339.08609	1.3
351.04816	1.3
361.07083	3.5
363.04752	1.3
363.08691	2.2
365.06494	2.6
367.08173	1.1
373.07199	1.9
375.05038	1.6
377.06415	2.3
379.08160	6.4
383.07626	2.4
389.06577	4.1
391.08023	5.2
393.05658	3.9
395.07602	1.9
396.08203	0.9
397.09183	13.9
401.06512	1.2
405.05984	2.8
407.07602	32.4
409.09116	31.6
410.09296	1.3
411.10635	3.1
419.07675	7.9
421.08932	4.1
425.08588	17.2
427.10223	20.5
431.07678	1.7
433.09213	4.6
437.08725	14.2
439.10077	2.6
449.08640	5.2
451.10260	7.4
453.11618	1.7
469.11331	0.9
509.08157	0.8
517.11017	4.1
527.09644	2.0
529.11041	1.4
535.12427	5.4
537.07880	0.9
541.11206	3.6
545.10345	3.2
559.12317	5.9
561.13861	1.3
569.10901	1.1
571.12488	1.5
577.13458	11.5
578.13385	1.0
579.14954	21.4
589.13171	1.5
677.13177	1.4
679.14319	1.1
695.13300	2.0
697.15479	4.9
699.17139	1.4
715.16034	3.2
985.21857	1.8
1097.23206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82288	0.2
68.05027	0.4
70.02950	0.3
70.06592	100.0
70.47716	0.4
71.05002	0.4
71.06923	2.4
73.34052	0.2
74.02439	0.9
76.19096	0.2
86.34673	0.2
88.03996	0.3
88.07623	0.2
98.06047	0.6
116.03487	0.3
116.07096	13.2
116.89164	0.3
117.07423	0.3
134.98523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	D-Proline
Peak:m/z	Relative Intensity
50.46340	0.1
55.01866	0.2
55.05509	0.5
56.05035	0.2
68.05027	0.3
68.39216	0.1
69.22299	0.4
69.22708	0.3
70.02988	0.1
70.06593	100.0
71.05001	0.3
71.06919	2.0
74.02425	0.3
83.22401	0.1
98.06055	1.7
99.04446	0.4
116.07093	14.2
116.10724	0.4
117.07420	0.3
127.87310	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	1160.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05008	0.7
80.30064	0.0
81.07055	0.4
82.06577	0.2
83.01324	0.1
83.04951	0.1
84.04503	0.0
84.08131	0.4
84.86497	0.0
91.05485	0.6
93.05772	0.1
93.07031	0.5
94.06563	0.7
95.04967	0.2
95.07333	0.1
95.08600	0.3
96.08125	0.8
97.06509	0.1
97.08875	0.2
98.06049	0.1
98.09711	0.1
99.04427	0.2
100.07581	0.1
101.05959	0.1
105.07015	0.5
106.06545	0.1
107.04910	0.1
107.07343	0.1
107.08574	0.3
108.08105	0.4
109.06501	0.2
109.08908	0.2
110.05994	0.1
110.09663	0.7
111.08064	0.1
112.07555	0.1
114.09122	0.0
116.06239	0.0
117.07053	0.2
119.04859	0.1
119.08573	0.3
120.08109	0.3
121.06466	0.2
121.08857	0.1
121.10136	0.1
122.09659	1.7
123.08020	0.2
123.10458	0.1
124.07561	0.1
124.11239	0.2
125.05969	0.4
125.09641	0.1
126.09129	0.1
127.03893	0.1
128.06183	0.1
128.07077	0.1
129.06966	0.1
130.07742	0.1
131.08562	0.2
132.08064	0.1
133.06453	0.1
133.10146	0.2
134.09642	0.4
135.08025	0.2
135.10410	0.1
136.11212	0.8
137.05954	0.1
137.09576	0.1
137.11990	0.1
138.09138	0.3
138.12762	0.1
138.30400	0.0
139.07526	0.1
141.05386	0.1
141.06979	0.1
142.07710	0.1
142.08673	0.1
143.08571	0.2
144.08142	0.1
145.06425	0.1
145.10144	0.2
146.07251	0.1
146.09622	0.2
147.08008	0.1
147.11707	0.2
148.07576	0.1
148.11212	0.3
149.05948	0.2
149.09592	0.1
149.11989	0.1
150.09135	1.5
150.12762	0.1
151.03883	0.1
151.07513	0.2
152.10670	0.2
153.05450	0.2
153.09079	0.1
154.12231	0.3
155.03346	0.2
155.07013	0.3
155.08293	0.1
157.10123	0.2
159.08028	0.2
159.11700	0.1
160.08789	0.1
160.11200	0.1
161.05949	0.1
161.09581	0.3
161.11969	0.1
162.09132	0.1
162.12764	0.7
163.07486	0.1
163.11186	0.1
164.10687	0.1
164.14343	0.6
165.05444	0.2
165.09081	0.2
165.12733	0.1
166.12267	0.1
167.07016	0.2
168.10201	1.2
169.10150	0.1
170.11734	0.1
171.08044	0.1
172.11189	0.1
173.05904	0.1
173.09593	0.2
174.12755	0.1
175.07458	0.1
175.11143	0.2
176.10721	0.1
176.14308	0.1
179.07074	0.1
179.10678	0.1
180.10159	0.1
181.08580	0.4
181.09959	0.1
182.11748	1.5
183.06468	0.3
184.13319	1.0
185.09636	0.1
187.07523	0.1
187.11214	0.1
188.08188	0.0
188.10672	0.1
188.14351	0.1
189.09073	0.3
189.10590	0.0
189.12811	0.0
190.12227	0.1
190.15875	0.2
191.07057	0.1
191.10631	0.1
192.13814	0.1
193.12279	0.0
196.13393	0.1
199.07471	0.1
201.09027	0.1
202.12283	0.1
203.06870	0.1
203.10643	0.1
204.07761	0.1
204.13763	0.1
205.08607	0.1
205.12178	0.1
206.11703	0.1
207.06427	0.1
207.10066	0.1
208.13245	0.3
209.08026	0.1
210.14848	0.1
213.12843	0.1
214.12280	0.1
215.10777	0.0
216.07651	0.0
216.13762	0.1
217.08650	0.2
218.15326	0.1
219.10141	0.2
220.13293	0.2
221.11707	0.1
222.14977	0.1
229.12169	0.1
230.15225	0.1
231.10196	0.1
232.13322	0.1
233.11800	0.1
234.08914	0.1
234.14795	0.2
235.09554	0.1
235.15681	0.1
236.13962	0.1
236.16432	2.8
246.14874	3.1
247.09660	1.2
247.15399	0.1
248.16359	0.2
249.11189	1.1
250.11835	0.1
250.14464	0.1
254.15439	0.1
256.13388	0.1
256.16879	0.1
260.12827	0.0
260.16461	0.1
262.18082	0.2
264.19537	0.5
268.17053	0.1
274.14725	0.1
274.18030	0.2
276.16055	0.3
278.13974	0.2
284.12967	0.1
284.16418	0.1
286.14438	0.1
286.17944	0.1
290.17349	0.1
292.19019	0.4
302.13879	0.1
302.17422	0.2
304.15390	0.2
304.19022	0.1
314.17523	0.1
316.15375	0.1
316.19073	0.1
318.16879	0.6
320.18546	7.1
321.18954	0.2
328.15170	0.1
330.16776	0.1
342.17023	0.1
342.20706	0.1
344.18539	5.3
345.18884	0.1
348.18338	0.1
358.20166	0.1
360.17996	0.6
360.21884	0.1
372.21573	0.2
374.23376	0.1
375.20184	0.1
388.17557	0.1
390.18768	0.1
390.22794	0.2
400.20947	0.3
403.19873	0.5
416.20630	0.1
418.22195	100.0
419.22537	2.4
431.57172	0.0
743.18707	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	1162.6223
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03405	0.1
81.05797	0.2
81.07051	0.7
82.06576	0.5
83.01338	0.5
83.04958	0.1
83.07355	0.7
84.08128	0.2
86.06059	0.3
91.04944	0.1
91.05480	1.3
93.05782	0.1
93.07036	1.1
94.06554	0.4
95.04967	0.6
95.07322	0.1
95.08591	0.3
96.08125	3.4
98.06062	0.3
98.09694	0.3
99.04441	0.6
100.11253	0.2
103.05447	0.1
105.04513	0.2
105.07028	1.0
106.06540	0.3
107.04911	0.2
107.08596	0.7
108.08078	0.3
109.06515	0.4
109.08903	0.1
110.09668	0.2
111.04404	0.1
111.08061	0.2
115.05480	0.1
117.07019	0.5
118.06520	0.2
118.07804	0.1
119.04927	0.3
119.07291	0.1
119.08570	0.7
120.08096	0.8
121.06486	0.7
121.08894	0.1
121.10178	0.1
122.09650	0.2
123.04438	0.1
123.08011	0.2
123.10383	0.1
124.11212	0.3
125.06037	0.2
125.11996	0.1
126.09141	0.2
126.12811	0.2
127.03902	0.8
128.06215	0.2
128.10693	0.4
129.06993	0.5
130.06505	0.1
130.07777	0.1
131.04904	0.1
131.08556	0.5
132.08051	0.1
133.06500	0.4
133.08881	0.1
133.10086	0.1
134.07256	0.1
134.09613	0.5
135.06874	0.1
135.08040	0.4
135.10381	0.1
136.07603	0.1
136.11217	2.0
137.05969	0.3
137.09583	0.2
138.12773	9.9
139.07520	0.2
139.13174	0.1
140.07082	0.2
141.05441	0.4
141.06995	0.2
142.07695	0.1
143.08525	0.4
144.08058	0.1
145.06470	0.4
145.10127	0.3
146.07188	0.1
146.09633	0.2
147.04393	0.1
147.08026	0.4
147.10471	0.1
147.11708	0.1
148.07553	0.3
148.08716	0.1
148.11246	0.4
149.05910	0.1
149.08400	0.1
149.09601	0.2
149.11996	0.1
150.09111	0.1
150.12808	0.1
151.03902	0.2
151.07561	0.2
152.10698	0.6
153.05443	0.2
154.07811	0.2
154.12294	0.3
155.03391	1.6
155.07014	0.6
155.08501	0.2
156.09395	0.1
157.06497	0.1
157.10167	0.1
158.07291	0.1
159.08038	0.6
159.10475	0.1
159.11682	0.4
160.08731	0.1
160.11165	0.1
161.05914	0.1
161.09598	0.3
162.09160	0.6
162.12781	0.6
163.07501	0.1
163.09882	0.2
163.11194	0.1
164.10683	0.7
164.14378	0.2
165.05479	0.9
165.06834	0.1
165.09105	0.2
165.11467	0.1
166.12280	0.1
167.03322	0.1
167.07033	0.6
167.08466	0.1
169.06448	0.1
169.10089	0.3
171.08032	0.2
171.11668	0.1
172.08859	0.1
172.11104	0.1
173.06004	0.5
173.09586	0.4
174.10501	0.1
174.12753	0.2
175.07520	0.5
175.11195	0.2
176.08453	0.1
176.10739	0.2
176.14343	2.6
177.05490	0.1
177.09102	0.3
177.15091	0.1
178.15874	0.2
179.07040	0.4
179.08505	0.1
179.10645	0.2
181.08606	0.1
182.11818	0.1
183.06560	0.8
183.08064	0.2
184.08836	0.1
185.06085	0.1
185.09660	0.2
186.10448	0.1
186.12723	0.1
187.07497	0.4
187.11142	0.4
188.14371	0.3
189.09105	0.3
189.12781	0.1
190.06192	0.1
190.12268	0.4
190.15921	0.1
191.07021	0.3
191.10692	0.1
193.08574	0.2
195.06578	0.4
195.08136	0.1
196.08952	0.1
197.09622	0.5
199.07555	0.2
199.11218	0.2
200.10594	0.1
201.09109	0.4
201.12761	0.2
202.15936	0.1
203.14302	0.1
204.13812	2.3
204.17531	0.3
205.08578	0.6
205.12596	0.1
205.14574	0.7
206.15372	0.8
207.06488	0.4
207.08418	0.1
207.10066	0.4
208.13348	0.2
211.07506	0.1
212.08345	0.1
213.09149	0.2
214.09918	0.1
214.15799	0.1
215.06931	0.1
215.10611	0.5
216.11562	0.1
216.17526	0.1
217.08629	0.2
217.12253	0.2
218.15234	0.1
219.06561	0.2
219.10141	0.1
219.13889	0.1
221.08018	0.5
225.09152	0.4
227.10712	0.1
229.08626	0.3
229.12204	0.3
231.10172	0.2
231.13666	0.1
232.16861	0.5
233.08054	0.7
233.11823	0.1
233.17773	0.1
234.08875	0.1
234.18539	0.6
235.09694	0.2
237.09087	0.1
242.09413	0.1
243.10156	0.2
245.11713	0.2
246.14682	0.1
247.09703	0.4
247.13292	0.2
249.11325	0.2
250.18025	0.1
253.08643	0.2
255.10210	0.1
255.13815	0.1
257.11795	0.3
260.16461	0.5
261.11179	0.4
262.17972	0.4
263.09113	0.7
264.16150	0.1
270.18594	0.1
273.11209	2.4
275.12753	6.6
283.13379	0.2
284.20288	0.1
285.11295	0.5
288.19379	0.1
304.19434	0.1
313.18048	0.1
314.17575	0.2
326.15088	0.2
330.16980	0.2
341.17404	0.6
344.18500	0.1
344.22363	0.1
345.19504	0.3
358.20215	0.2
359.18567	0.1
360.21722	0.9
370.20026	0.3
372.18130	0.5
373.18713	0.1
386.19226	0.1
388.21152	70.6
389.21457	1.4
775.41528	100.0
776.41919	3.1
890.89630	0.1
1056.39783	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	1162.6224
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03391	0.1
81.05795	0.1
81.07056	0.7
82.06586	0.5
83.01347	0.4
83.04961	0.2
83.07359	0.5
84.08129	0.1
86.06067	0.3
86.09692	0.1
87.98808	0.1
91.05476	1.3
93.05816	0.1
93.07046	0.8
94.06564	0.3
95.04959	0.6
95.07352	0.1
95.08594	0.2
96.04475	0.1
96.08132	2.9
98.06049	0.2
98.09705	0.3
99.04453	0.5
100.11234	0.2
103.05449	0.1
105.04520	0.2
105.07032	1.0
106.06547	0.3
107.04950	0.2
107.08601	0.7
108.08128	0.3
108.08720	0.1
109.06493	0.3
109.08902	0.1
109.10172	0.1
110.09666	0.1
111.04444	0.1
111.08047	0.1
115.03948	0.1
115.05442	0.2
116.06200	0.1
117.07007	0.5
118.06535	0.2
119.04900	0.1
119.08575	0.7
120.08121	0.5
121.06505	0.5
121.10161	0.2
122.09657	0.3
123.04375	0.1
123.08047	0.1
124.11229	0.2
125.05943	0.1
125.12015	0.1
126.09145	0.2
126.12773	0.1
127.03925	0.6
128.06206	0.3
128.10716	0.4
129.06993	0.4
130.07796	0.1
131.04904	0.1
131.08549	0.5
132.08105	0.1
133.06476	0.2
133.08894	0.1
133.10123	0.2
134.09634	0.4
135.04379	0.1
135.06949	0.1
135.08060	0.3
135.10468	0.1
136.07576	0.1
136.11223	1.5
136.53293	0.1
137.05946	0.3
137.08377	0.1
137.09604	0.2
137.12036	0.1
138.09142	0.1
138.12776	7.4
139.07545	0.2
140.07077	0.1
141.05444	0.3
141.06984	0.2
142.07738	0.2
143.03526	0.1
143.08566	0.4
144.08188	0.1
144.09319	0.1
145.06476	0.4
145.09064	0.1
145.10104	0.3
146.07207	0.1
146.09641	0.1
147.04428	0.1
147.07983	0.4
147.10561	0.1
147.11679	0.1
148.07555	0.2
148.08775	0.1
148.11218	0.2
149.05988	0.1
149.09616	0.2
149.12048	0.1
150.09085	0.1
150.12849	0.1
151.03929	0.3
151.07562	0.2
151.11110	0.1
152.10704	0.4
153.05455	0.3
153.06900	0.1
154.07771	0.2
154.12265	0.2
155.03383	1.3
155.06036	0.1
155.07036	0.4
155.08521	0.2
156.09357	0.2
157.06465	0.1
157.10110	0.3
158.07333	0.1
159.08052	0.5
159.11699	0.2
160.08852	0.1
160.11205	0.1
161.06015	0.2
161.09602	0.1
161.11942	0.1
161.13286	0.2
162.09126	0.4
162.12805	0.5
163.03966	0.1
163.07559	0.1
163.09927	0.1
163.11208	0.1
164.10709	0.5
164.14407	0.1
165.05475	0.8
165.06825	0.1
165.09094	0.2
165.11517	0.1
166.12335	0.1
167.07048	0.7
167.08485	0.1
169.06384	0.1
169.10066	0.3
171.08047	0.2
171.11685	0.1
172.08838	0.1
172.11266	0.1
173.06082	0.4
173.09631	0.4
174.12769	0.1
175.07547	0.6
175.11154	0.1
176.08359	0.1
176.10690	0.2
176.14333	2.0
177.09138	0.3
177.12772	0.1
177.15085	0.1
178.06429	0.1
178.15915	0.2
179.07033	0.3
179.08574	0.1
179.10594	0.1
181.04929	0.1
181.06392	0.1
181.08629	0.1
182.07253	0.1
182.11775	0.1
183.06548	0.7
183.08066	0.2
185.06065	0.1
185.09676	0.2
186.10474	0.1
186.12772	0.2
187.07562	0.4
187.11180	0.4
187.13481	0.1
187.14955	0.1
188.08409	0.1
188.14383	0.2
189.09061	0.3
189.12781	0.1
190.06154	0.1
190.12193	0.3
190.15880	0.1
191.07045	0.2
191.10649	0.1
192.13866	0.1
193.08592	0.2
195.06528	0.4
195.07968	0.1
197.09686	0.4
198.06761	0.1
198.10527	0.1
199.07545	0.2
199.11192	0.2
201.09195	0.3
201.12691	0.1
202.09949	0.1
202.12350	0.1
202.15842	0.1
203.07077	0.1
203.10730	0.1
203.14369	0.1
203.16658	0.1
204.07864	0.1
204.13849	1.3
204.17374	0.3
205.08644	0.4
205.14574	0.7
206.09329	0.1
206.15404	0.7
206.19023	0.1
207.06520	0.3
207.10118	0.4
208.13303	0.2
211.07703	0.1
211.11241	0.1
213.07301	0.1
213.09116	0.3
214.10011	0.1
214.15889	0.1
215.06950	0.1
215.10681	0.4
216.11446	0.1
216.17426	0.1
217.08647	0.2
217.12317	0.1
219.06668	0.1
219.10181	0.1
219.13747	0.1
221.08086	0.5
221.11597	0.1
222.14859	0.2
225.09186	0.3
227.06995	0.1
227.10648	0.1
229.08600	0.2
229.12186	0.2
230.09419	0.1
231.10240	0.1
232.13390	0.1
232.16925	0.4
233.08057	0.6
233.17534	0.1
234.08792	0.2
234.18602	0.5
235.09706	0.1
239.10649	0.1
241.08577	0.2
242.09480	0.1
243.10133	0.1
245.08084	0.1
245.11754	0.2
247.09753	0.6
247.13329	0.2
249.11296	0.2
250.17990	0.1
253.08624	0.2
255.10182	0.1
257.11807	0.3
260.12973	0.1
260.16476	0.3
261.11188	0.4
262.18036	0.3
263.09116	0.7
271.09756	0.1
272.16336	0.1
273.11206	2.8
274.11002	0.1
275.12766	6.4
276.12958	0.1
282.08875	0.1
283.13431	0.1
284.20129	0.2
285.11255	0.6
289.13068	0.1
313.18082	0.2
314.17548	0.2
317.19861	0.1
320.15027	0.1
326.15097	0.1
326.91071	0.1
330.17029	0.1
341.17404	0.5
342.20688	0.1
343.18765	0.1
344.22452	0.1
345.19415	0.2
353.17261	0.1
358.20358	0.3
359.18457	0.1
360.21722	1.1
370.20206	0.4
373.18765	0.1
388.21161	100.0
389.21555	1.8
389.25171	0.1
529.52161	0.1
622.03540	0.1
678.27484	0.1
775.41577	50.8
776.41772	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	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
54.84187	0.2
55.05516	0.5
65.35069	0.2
71.06916	0.3
72.08159	3.0
83.91103	0.2
91.05478	20.2
92.05817	0.4
100.07607	0.2
102.52061	0.2
103.40450	0.2
115.05453	49.5
116.05795	1.2
116.06300	0.6
117.07014	100.0
118.07344	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	1178.6164
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06573	0.5
82.70318	0.0
83.01332	0.5
83.04968	0.1
83.07355	0.6
84.08115	0.2
86.06036	0.3
87.96287	0.0
91.05476	1.5
93.05782	0.1
93.07034	1.2
93.21049	0.0
94.06557	0.4
95.04402	0.1
95.04962	0.6
95.07327	0.1
95.08592	0.2
96.08123	3.8
97.08912	0.1
98.06055	0.3
98.09660	0.2
99.04452	0.6
99.06863	0.1
100.11233	0.3
103.05454	0.1
103.08009	0.0
105.03378	0.1
105.04504	0.2
105.07018	0.9
106.06532	0.2
107.04932	0.2
107.08588	0.9
108.05704	0.1
108.08105	0.3
109.06498	0.4
109.08890	0.1
109.10143	0.1
110.09657	0.2
111.04444	0.1
111.08067	0.2
115.03872	0.1
115.05440	0.2
116.06246	0.1
117.07007	0.6
118.06551	0.2
119.04908	0.1
119.07304	0.1
119.08575	0.7
120.08101	0.7
121.06495	0.7
121.08804	0.1
121.10123	0.2
122.05991	0.1
122.09614	0.2
123.04414	0.1
123.08052	0.3
123.10427	0.0
124.07539	0.1
124.11198	0.3
125.05968	0.1
125.12036	0.1
126.09198	0.3
126.12771	0.2
127.03899	0.8
128.06184	0.2
128.10707	0.4
129.06996	0.5
130.06488	0.1
130.07713	0.1
131.04901	0.1
131.08548	0.6
132.08055	0.1
133.06482	0.4
133.08896	0.1
133.10081	0.1
134.07185	0.1
134.09645	0.6
135.04424	0.1
135.06804	0.1
135.08022	0.4
135.10555	0.1
135.11696	0.1
136.05142	0.1
136.07684	0.1
136.11212	2.0
137.05965	0.3
137.09593	0.2
138.09222	0.1
138.12767	9.9
139.07513	0.2
139.13118	0.1
140.07071	0.1
141.05447	0.4
141.06999	0.2
142.07733	0.1
143.03387	0.1
143.08578	0.5
144.08089	0.1
144.09299	0.1
145.06490	0.5
145.10115	0.3
146.07156	0.1
146.09645	0.2
147.04402	0.1
147.06909	0.1
147.08009	0.4
147.10489	0.1
147.11662	0.1
148.07567	0.2
148.08769	0.1
148.11218	0.3
149.05989	0.1
149.08372	0.1
149.09599	0.2
149.11929	0.1
150.09120	0.2
151.03923	0.3
151.07536	0.3
151.11139	0.1
152.10721	0.4
152.14354	0.1
153.05411	0.3
153.06731	0.0
154.07735	0.1
154.12251	0.4
155.03383	1.9
155.07024	0.5
155.08504	0.2
156.09343	0.2
157.06456	0.1
157.10121	0.3
158.07237	0.1
158.09628	0.1
159.08044	0.6
159.10451	0.1
159.11668	0.4
160.07596	0.1
160.08853	0.1
160.11189	0.1
161.06001	0.2
161.09596	0.2
161.11948	0.1
161.13191	0.1
162.06895	0.1
162.09097	0.7
162.12801	0.6
163.07565	0.1
163.09891	0.1
163.11171	0.2
163.13531	0.1
164.10690	0.6
164.14333	0.2
165.05484	0.9
165.06815	0.1
165.09125	0.2
166.07793	0.1
166.12267	0.2
167.07056	0.7
167.08470	0.1
169.06432	0.1
169.10097	0.4
171.08031	0.1
171.11714	0.1
172.08804	0.1
173.06020	0.5
173.09610	0.4
174.06744	0.1
174.09117	0.1
174.10416	0.1
174.12808	0.2
175.07529	0.4
175.11192	0.2
176.08258	0.1
176.10732	0.3
176.14328	2.5
176.15901	0.1
177.09082	0.2
177.12830	0.1
177.15082	0.1
178.12312	0.1
178.15897	0.2
179.07008	0.4
179.08496	0.1
179.10632	0.1
181.04913	0.1
181.08632	0.1
181.10204	0.1
182.07242	0.1
182.11749	0.1
183.06512	1.0
183.08078	0.2
184.08902	0.1
185.09587	0.2
186.06844	0.1
186.10423	0.2
186.12717	0.1
187.07489	0.3
187.11168	0.6
188.14375	0.3
189.09021	0.3
189.12776	0.2
190.06227	0.1
190.12254	0.4
190.15898	0.1
191.07051	0.3
191.10603	0.1
191.14415	0.1
192.13792	0.1
193.08606	0.1
193.10124	0.1
195.06506	0.6
195.08057	0.1
196.08922	0.1
197.09630	0.5
198.10469	0.1
199.07545	0.2
199.11188	0.2
200.08243	0.1
201.09155	0.4
201.12721	0.2
202.15915	0.1
203.06926	0.1
203.10652	0.1
203.16570	0.1
204.13814	1.7
204.17430	0.2
205.08629	0.6
205.12393	0.1
205.14574	0.8
205.18065	0.1
206.09293	0.1
206.15369	0.9
206.19002	0.1
207.06479	0.3
207.10083	0.5
208.13405	0.3
209.09624	0.1
211.07489	0.1
211.11197	0.1
213.09116	0.2
213.12895	0.1
214.09926	0.2
214.15851	0.1
215.07074	0.1
215.10634	0.5
215.14111	0.1
215.16496	0.1
216.11449	0.1
216.13663	0.1
216.17368	0.1
217.08722	0.3
217.12312	0.1
218.09325	0.1
218.15282	0.1
219.06516	0.2
219.10155	0.2
219.13774	0.1
221.08064	0.7
223.09688	0.1
225.09190	0.4
225.12718	0.1
227.10655	0.1
229.08598	0.1
229.12204	0.3
230.09514	0.1
231.10155	0.1
232.10907	0.1
232.13402	0.1
232.16910	0.5
233.08037	0.9
233.11745	0.2
233.17766	0.1
234.08894	0.1
234.14896	0.1
234.18549	0.9
234.20830	0.1
235.09763	0.1
239.10658	0.2
241.08440	0.1
242.09273	0.1
243.10068	0.3
243.13770	0.1
245.08043	0.1
245.11751	0.2
247.09624	0.3
247.13124	0.1
249.11317	0.2
250.18063	0.1
253.08511	0.3
255.10078	0.1
255.13863	0.1
257.11755	0.3
260.10394	0.1
260.13171	0.1
260.16461	0.3
261.11130	0.4
262.18079	0.4
263.09119	0.8
267.09900	0.1
271.09723	0.1
271.13184	0.1
273.11191	2.0
275.12750	7.6
276.13095	0.1
281.15350	0.1
283.13354	0.1
284.20102	0.1
285.11215	0.5
285.14539	0.1
286.17926	0.1
287.12726	0.1
313.17966	0.2
314.17538	0.4
317.19943	0.1
320.15155	0.1
326.14920	0.1
330.17044	0.1
332.18436	0.1
341.17395	0.6
342.20551	0.1
343.18939	0.1
345.19504	0.4
358.20242	0.3
359.18475	0.1
360.21664	0.8
370.20175	0.4
371.18570	0.1
373.18753	0.2
386.19638	0.2
387.19769	0.1
388.21136	100.0
389.21515	2.0
404.20636	8.5
405.20956	0.1
486.52707	0.1
523.35071	0.1
636.31116	0.1
644.61670	0.1
775.41498	85.6
776.41724	3.1
840.98505	0.1
1125.56421	0.1
1132.02759	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	1178.6168
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06573	0.5
83.01333	0.6
83.04949	0.1
83.06873	0.1
83.07353	0.7
84.04481	0.1
84.08125	0.1
85.06547	0.1
85.45791	0.0
86.06063	0.4
86.09672	0.0
91.05474	1.5
93.05754	0.1
93.06431	0.1
93.07030	1.1
94.06560	0.3
95.04961	0.7
95.07333	0.1
95.08596	0.2
96.04498	0.1
96.08121	4.2
97.08408	0.0
97.25905	0.0
98.06050	0.3
98.06577	0.0
98.09684	0.2
98.22723	0.1
99.04443	0.6
100.11246	0.2
102.09187	0.0
103.05452	0.1
105.03383	0.1
105.04482	0.2
105.07020	1.1
106.06564	0.2
107.04926	0.3
107.07409	0.0
107.08583	0.9
108.08110	0.3
109.02885	0.0
109.06511	0.4
109.08927	0.1
109.10154	0.1
110.06050	0.0
110.09650	0.2
111.08074	0.2
112.07597	0.1
112.11196	0.1
115.03912	0.1
115.05440	0.3
116.06280	0.0
117.05732	0.0
117.07012	0.4
118.06519	0.1
118.98987	0.0
119.04938	0.2
119.07294	0.1
119.08573	0.7
120.08107	0.6
120.09361	0.0
121.05693	0.1
121.06503	0.8
121.08836	0.1
121.10148	0.2
122.09643	0.2
123.04420	0.1
123.08083	0.2
123.10411	0.0
124.07656	0.0
124.11208	0.3
125.05989	0.1
125.09603	0.1
125.11998	0.1
126.09123	0.3
126.12775	0.1
127.03911	0.8
127.07541	0.0
128.06223	0.2
128.10703	0.5
129.06990	0.5
130.06490	0.1
130.07770	0.1
131.04939	0.1
131.07616	0.1
131.08546	0.6
132.08040	0.2
133.06503	0.4
133.08842	0.1
133.10059	0.2
133.13521	0.0
133.14360	0.0
134.06026	0.1
134.07196	0.1
134.09627	0.5
135.04387	0.1
135.06793	0.3
135.08046	0.4
135.10426	0.1
136.07527	0.1
136.11208	2.2
137.05963	0.2
137.08315	0.0
137.09575	0.2
137.11969	0.1
138.12766	10.7
139.03848	0.0
139.07533	0.2
139.13089	0.1
140.04706	0.0
140.07062	0.2
140.10689	0.1
141.05432	0.4
141.06970	0.2
142.07793	0.1
143.03383	0.1
143.08566	0.4
144.05609	0.0
144.08110	0.1
144.09303	0.1
145.06453	0.6
145.10106	0.4
145.30157	0.0
145.55406	0.0
146.06145	0.0
146.07269	0.1
146.09618	0.2
147.04407	0.1
147.08009	0.4
147.10512	0.1
147.11713	0.1
148.07558	0.2
148.08804	0.2
148.11235	0.3
149.05963	0.1
149.08310	0.1
149.09599	0.2
149.12003	0.1
149.13173	0.1
150.09126	0.1
150.12775	0.1
151.03894	0.3
151.07549	0.3
151.11137	0.1
152.10710	0.5
152.14342	0.1
153.05452	0.3
153.06903	0.1
154.07745	0.2
154.12245	0.4
155.03378	1.9
155.07016	0.5
155.08510	0.2
156.09305	0.1
157.06493	0.1
157.10123	0.2
158.07283	0.1
158.09631	0.1
159.08067	0.7
159.10471	0.1
159.11697	0.3
160.07541	0.0
160.08913	0.1
160.11229	0.1
161.05992	0.1
161.08441	0.1
161.09598	0.3
161.11957	0.1
161.13232	0.1
162.06784	0.1
162.09120	0.6
162.10408	0.1
162.12766	0.6
163.07489	0.2
163.09923	0.1
163.11212	0.1
163.13557	0.1
164.10695	0.6
164.14359	0.2
165.05481	1.0
165.06903	0.1
165.09105	0.3
165.11496	0.1
166.07698	0.1
166.12230	0.2
167.07074	0.6
167.08463	0.1
168.09293	0.1
169.04967	0.1
169.06441	0.1
169.10094	0.4
170.09558	0.0
170.11923	0.1
171.08055	0.2
171.11696	0.1
172.08824	0.2
172.11226	0.1
173.06000	0.5
173.09610	0.4
173.13240	0.0
174.06712	0.1
174.09123	0.0
174.10428	0.0
174.12798	0.2
175.07520	0.5
175.11121	0.2
175.13545	0.1
176.08212	0.0
176.10785	0.2
176.14322	2.7
177.05481	0.1
177.09065	0.3
177.11385	0.0
177.12769	0.1
177.15063	0.1
178.12221	0.1
178.15857	0.2
179.07016	0.4
179.08565	0.1
179.10640	0.1
180.13780	0.1
181.04974	0.1
181.06477	0.0
181.08633	0.1
181.10085	0.1
182.07207	0.1
182.11740	0.1
183.06526	1.1
183.08055	0.2
184.08887	0.1
185.05998	0.1
185.08151	0.0
185.09641	0.2
186.10452	0.2
186.12764	0.1
187.07515	0.3
187.11189	0.6
187.13013	0.1
187.13341	0.0
188.08345	0.1
188.11980	0.1
188.14351	0.3
189.05447	0.0
189.09061	0.3
189.12801	0.1
190.06180	0.1
190.12238	0.3
190.15869	0.1
191.06989	0.3
191.10675	0.1
192.13832	0.1
193.08624	0.2
195.06511	0.6
195.07977	0.1
196.08876	0.1
197.09639	0.5
198.06618	0.1
198.10509	0.1
199.07501	0.1
199.11148	0.1
200.08307	0.1
200.14368	0.0
201.09148	0.3
201.12727	0.2
202.09927	0.1
202.12302	0.1
202.15898	0.1
203.07045	0.1
203.10724	0.1
203.14400	0.1
203.16701	0.1
204.07910	0.1
204.13802	1.7
204.17476	0.2
205.08607	0.7
205.12387	0.1
205.14577	0.8
206.09505	0.0
206.15370	1.0
206.19067	0.1
207.06496	0.4
207.08209	0.1
207.10059	0.5
207.11819	0.0
208.13303	0.3
209.07962	0.1
209.09662	0.1
211.07581	0.1
211.11174	0.1
213.09111	0.1
213.12845	0.0
214.06390	0.0
214.09906	0.1
214.15872	0.1
215.07010	0.1
215.10657	0.5
215.14223	0.1
216.11404	0.1
216.13652	0.1
216.17381	0.1
217.08647	0.3
217.12259	0.1
218.09288	0.1
218.15318	0.1
219.06595	0.1
219.10130	0.3
219.13867	0.1
220.07259	0.1
220.13281	0.1
221.08034	0.6
222.14943	0.1
223.09590	0.1
225.09161	0.5
225.11122	0.1
226.09909	0.0
227.07085	0.1
227.10689	0.1
227.14398	0.1
228.07748	0.0
228.13792	0.0
229.08691	0.2
229.12099	0.3
230.09448	0.1
230.15137	0.1
231.06606	0.1
231.10210	0.1
231.13716	0.1
232.10954	0.1
232.16940	0.5
233.08029	0.8
233.11816	0.1
233.17696	0.1
234.08871	0.2
234.14946	0.1
234.18507	0.9
235.09567	0.1
239.10634	0.1
241.08557	0.1
241.12292	0.0
242.09398	0.2
242.15257	0.1
243.10118	0.3
243.13841	0.1
244.13371	0.0
244.16858	0.1
245.07979	0.1
245.11755	0.1
247.09656	0.3
247.13271	0.1
249.11266	0.2
250.17989	0.1
253.08528	0.3
255.10146	0.1
255.14072	0.0
257.11771	0.3
259.09787	0.1
260.10349	0.1
260.13123	0.1
260.16458	0.3
260.19174	0.0
261.11148	0.4
262.17996	0.4
263.09109	0.9
264.15811	0.1
267.14008	0.1
269.11514	0.1
270.18610	0.1
271.09799	0.1
271.13196	0.1
272.16571	0.1
273.11182	2.0
275.12744	8.0
276.12985	0.1
278.17752	0.1
281.15451	0.1
283.13351	0.1
284.20251	0.1
285.11246	0.5
285.14359	0.0
286.14343	0.0
287.12747	0.0
288.19342	0.1
291.12247	0.1
301.20184	0.1
302.13824	0.1
302.17316	0.0
303.15652	0.1
309.14569	0.1
312.19708	0.1
313.18008	0.2
314.17480	0.2
317.19760	0.1
320.15091	0.1
326.15024	0.1
327.15747	0.1
330.16751	0.2
332.18408	0.0
332.22171	0.1
341.17422	0.6
342.20615	0.1
343.18991	0.1
344.18365	0.1
344.22415	0.1
345.19592	0.4
353.17047	0.1
358.20309	0.3
359.18530	0.1
360.21729	0.9
368.18585	0.1
370.20221	0.4
371.17969	0.1
373.18872	0.1
386.19580	0.2
387.19699	0.1
388.21130	100.0
389.21490	2.1
404.20630	7.7
405.20718	0.2
523.35107	0.1
775.41473	76.6
776.41827	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01600	1.2
51.02383	4.2
53.03949	20.7
55.05500	4.9
69.70592	3.7
72.08153	24.1
77.03522	1.4
77.03938	21.9
81.03405	1.7
91.05467	1.5
95.04971	82.6
96.05275	1.1
98.22765	1.4
98.43681	1.2
99.05445	1.1
105.04520	39.5
106.04842	1.7
118.06543	100.0
119.06885	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	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
55.05503	1.9
58.06590	1.4
59.07384	1.1
69.53495	2.4
72.08157	10.2
85.21303	0.5
91.05481	24.6
100.72271	0.5
112.40633	0.6
117.05773	2.9
118.06544	100.0
118.08633	4.0
119.06897	3.2
123.36563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03944	0.4
55.05513	16.6
56.05033	0.2
56.05851	0.4
56.65650	0.2
57.05817	1.2
58.06600	1.7
59.04999	0.3
59.07386	1.8
70.06590	0.3
70.57120	0.2
72.08156	100.0
73.06541	0.2
73.07867	0.2
73.08495	2.6
83.04990	0.4
89.13020	0.1
100.07624	0.4
101.06022	0.7
118.08656	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81979	2.7
70.82327	4.3
77.80585	3.1
81.67735	2.6
82.99838	3.2
91.05485	7.2
101.00875	36.2
108.96153	3.0
119.01096	5.9
119.01920	100.0
119.02776	5.7
120.01998	5.5
137.02957	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40823	5.0
56.05029	19.4
69.70669	18.5
71.37040	5.4
74.02437	6.5
86.55510	5.2
91.05481	14.6
92.33384	5.2
96.34644	5.2
101.00845	33.1
102.05545	11.4
119.01918	100.0
120.02029	10.1
120.05645	6.0
137.02936	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.10900	0.4
53.03930	0.7
54.35913	0.4
58.69300	0.4
65.03948	1.9
77.03937	1.2
78.04697	0.9
79.05500	5.8
91.05483	74.0
92.05827	2.7
93.07047	5.9
95.04974	2.7
103.05473	11.2
104.06266	8.1
105.04514	1.3
109.06519	1.2
115.05460	4.4
117.07022	32.3
118.07330	1.5
119.06073	1.9
119.08584	100.0
120.04424	0.5
120.05562	1.7
120.08102	1.1
120.08927	5.2
121.06506	0.9
131.06062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.37510	0.5
51.04390	0.5
53.03940	0.9
55.93288	0.5
56.05033	0.6
65.03932	2.7
65.14706	0.6
68.31130	0.6
69.34579	2.9
73.08485	1.3
74.06076	0.8
77.03954	1.1
78.04704	0.6
79.05499	5.3
84.59353	0.6
91.05481	65.7
91.25874	0.6
92.05843	1.9
93.07040	4.6
95.04960	4.2
96.05286	2.0
103.05460	8.6
104.06252	8.4
105.04519	1.7
106.04816	0.8
109.06509	0.9
115.05479	3.0
117.07021	24.5
118.07325	0.9
118.08561	0.5
119.06087	3.3
119.06844	3.3
119.08578	100.0
120.04497	1.6
120.05593	2.4
120.08092	1.7
120.08924	6.1
121.06522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.37202	0.5
53.03949	0.8
59.04981	0.5
62.01738	0.5
65.03939	2.3
69.88766	0.8
77.03922	1.1
78.04699	0.6
79.05491	5.2
91.05483	66.5
92.05826	2.4
93.07032	5.2
95.04962	3.1
96.05299	1.1
98.23366	0.7
103.05475	9.7
104.06252	9.5
105.04537	1.9
109.06535	0.8
115.05455	4.1
117.07021	28.3
118.07313	1.2
119.08582	100.0
120.04473	0.5
120.05587	1.2
120.08126	0.8
120.08897	5.1
131.06094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
84.64552	0.1
85.02948	0.3
97.02923	0.2
127.03967	0.2
137.52336	0.1
170.99872	0.1
174.04541	0.2
182.03511	0.2
191.03978	0.2
201.01462	0.1
219.02133	0.1
245.05215	0.3
246.05389	0.1
263.06113	0.2
291.04166	0.1
330.60587	0.1
339.26926	0.1
345.10550	0.2
363.06805	2.6
381.07904	1.5
426.12997	0.2
434.12210	0.3
434.62396	0.1
451.09061	0.1
515.14838	0.1
522.06769	0.1
525.12170	6.4
526.12653	0.1
537.63629	0.1
543.13239	3.5
597.19489	0.2
613.13519	0.2
678.22021	0.1
686.71289	0.2
687.17328	3.5
705.18506	3.0
706.18378	0.1
849.22845	1.7
849.36523	0.1
867.23706	1.9
1011.27899	4.1
1012.28284	0.2
1029.29016	2.9
1087.30981	0.1
1191.34277	100.0
1192.34583	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01592	0.6
51.02379	1.3
53.03947	7.2
55.01868	1.5
65.03947	0.7
77.03928	11.7
78.04263	0.7
78.04703	0.4
79.05473	1.0
81.03426	1.1
91.05480	51.1
92.05802	2.1
93.07043	53.4
94.07381	2.4
95.04967	29.3
96.05310	1.1
102.04698	1.2
103.05466	67.1
104.05806	3.3
105.04515	15.5
121.06503	100.0
122.05980	0.9
122.06802	4.7
122.09644	0.6
133.17601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03947	4.4
55.05519	6.5
59.65568	0.8
65.03948	1.6
67.05507	0.9
69.97746	1.7
77.03917	4.9
79.05499	39.1
80.05824	1.2
80.06263	1.3
81.07059	4.1
88.41337	0.9
91.05486	36.4
93.07050	100.0
94.07388	2.8
95.04980	17.0
95.16994	0.8
103.05477	9.8
105.04525	6.6
105.07037	49.7
106.07884	5.6
107.07330	4.1
119.08586	8.0
120.45793	0.8
121.02905	2.2
121.06535	3.5
121.10155	58.9
122.06051	1.9
122.09693	6.7
122.10469	1.6
123.08072	5.0
133.07637	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03938	2.6
55.05509	1.2
58.41299	1.1
65.03937	1.3
67.05509	1.1
71.23881	1.1
77.03933	4.0
78.35291	1.0
79.05497	32.6
81.07056	2.2
87.52670	0.8
91.05488	19.5
93.06445	1.6
93.07047	32.2
95.04964	10.4
97.57745	0.8
103.05475	14.9
105.04530	4.3
105.07030	100.0
106.07906	5.8
107.07332	3.2
118.47914	1.0
119.08578	13.3
121.02871	1.6
121.03992	1.2
121.06502	7.7
121.10146	82.0
122.06014	1.4
122.09663	7.0
122.10508	2.7
123.08074	13.4
133.07599	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	122.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
56.05036	2.3
56.85287	0.6
57.03413	0.9
65.03941	7.3
66.04726	51.6
67.05060	1.2
69.29078	2.1
69.29476	1.3
75.49197	0.7
78.67641	0.8
80.05025	4.3
81.04563	1.6
93.03417	1.6
93.44084	0.6
94.04189	100.0
94.06552	2.0
95.04506	0.8
96.04488	1.6
104.05008	1.0
104.07095	1.6
105.07025	5.0
107.07346	3.7
122.03661	10.5
122.04428	1.1
122.06026	6.2
122.07112	2.6
122.08108	1.0
122.09673	13.6
123.05576	11.4
123.09206	1.6
127.30730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51804	0.8
53.03951	0.9
53.65432	0.9
54.80161	0.8
55.01867	1.2
57.03430	3.3
58.99862	2.2
61.02921	3.4
67.99757	0.8
69.03426	3.9
69.36182	1.9
69.36588	2.7
70.99842	1.1
71.91086	0.8
73.02911	2.8
78.03460	3.5
78.52936	1.6
80.05022	18.8
80.52717	1.0
81.01891	1.8
81.03419	1.0
82.01448	31.8
82.99841	3.0
83.01545	1.7
85.02904	2.3
86.52699	1.5
87.01910	1.2
88.02686	1.7
92.52698	0.8
96.04497	7.0
97.02908	2.5
99.53484	1.1
100.02490	100.0
101.00889	30.9
101.02544	5.8
102.02393	4.1
106.02914	7.3
111.02953	2.0
113.00863	1.1
115.02434	1.7
118.03526	36.9
119.01928	92.3
119.03668	3.3
123.05559	62.3
123.09220	1.3
124.02505	1.0
124.03962	16.0
124.18549	0.8
130.42830	0.9
131.01888	4.2
133.03444	1.2
136.04619	1.5
137.02963	23.6
140.03465	0.8
141.05139	1.4
142.03523	10.2
143.01935	1.0
143.03639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03535	1.5
57.55076	1.5
70.68195	1.8
74.63113	1.6
81.36297	1.8
82.01440	43.7
82.99830	2.8
83.01530	1.9
100.02483	100.0
101.00888	31.4
101.02562	4.7
104.12286	1.7
118.03510	34.7
119.01917	78.1
137.02951	16.6
140.56137	1.8
142.03470	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59039	0.2
63.00425	0.2
70.37122	0.3
70.37434	0.2
73.17513	0.2
75.36839	0.2
80.05005	0.5
81.05353	0.9
82.01447	0.6
82.06582	0.3
82.99842	3.6
83.01524	0.7
91.68208	0.2
96.04510	1.0
97.04839	0.3
98.23523	0.2
99.87885	0.2
100.02489	1.2
101.00887	37.0
101.02570	1.8
102.00956	1.4
102.02235	0.5
107.88568	0.2
109.29215	0.2
111.00477	0.3
112.03967	0.6
113.95739	0.2
115.65247	0.2
118.03532	0.5
119.01927	100.0
120.01998	3.9
120.03270	0.2
121.92673	0.2
124.02474	0.6
124.03960	2.6
124.05921	4.1
124.07561	1.1
124.08413	0.2
124.11260	0.2
125.10740	1.2
129.52078	0.2
136.19650	0.2
137.02965	21.1
138.03003	0.9
142.03516	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75046	0.2
67.89412	0.2
70.51302	0.3
82.01461	0.3
82.99844	4.5
83.01531	0.6
83.99910	0.2
90.76804	0.2
98.23351	0.2
100.02474	0.8
100.09480	0.2
101.00885	40.1
101.02541	1.2
102.00946	1.6
102.02230	0.4
111.00430	0.4
119.01923	100.0
120.01990	4.0
121.02280	0.4
124.02453	0.7
137.02962	20.2
138.03009	0.9
142.03508	5.9
143.03639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90281	0.3
79.28452	0.3
79.43618	0.2
82.01455	0.5
82.99837	4.3
83.01526	1.1
84.01201	0.5
100.02468	1.2
101.00884	43.5
101.02558	2.9
102.00943	1.3
102.02245	0.9
108.15901	0.3
118.03503	0.5
119.01923	100.0
120.01999	4.1
121.02375	0.7
124.02445	0.6
137.02959	20.3
138.03053	0.6
142.03500	6.1
142.04544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.3
60.00620	0.2
68.05051	0.2
70.60767	0.4
78.03442	0.4
80.05009	0.7
82.01447	0.3
82.06570	0.8
82.99840	3.2
83.01520	0.5
84.01173	0.2
91.79528	0.2
96.04497	2.5
96.05136	0.3
96.08150	0.2
97.02880	0.4
97.07661	0.2
100.02497	1.0
101.00880	35.8
101.02541	2.3
102.00948	1.3
102.02235	0.8
112.03902	0.2
118.03516	0.5
119.01918	100.0
120.01994	4.9
121.02398	0.4
124.02466	0.6
124.03953	7.1
124.04888	0.4
124.05872	0.6
124.07592	1.0
124.08567	0.4
124.11221	0.6
124.54309	0.2
125.07133	0.4
125.10755	3.4
137.02953	24.9
138.03058	1.0
139.03400	0.2
142.03496	5.7
143.03679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86246	0.2
53.93990	0.2
55.05499	0.8
56.05027	0.4
58.06602	11.4
60.99964	0.3
69.44827	0.4
69.45218	0.6
69.57043	0.2
70.06596	1.6
82.06578	1.7
84.08142	100.0
84.96032	0.5
85.07686	0.4
85.08471	2.1
85.96384	0.3
86.06071	0.6
98.09727	0.3
98.22727	0.3
98.53138	0.2
100.07616	1.4
107.48282	0.2
109.07586	0.2
110.06028	1.0
127.03899	0.3
127.07259	0.6
127.08680	0.7
127.12304	3.9
127.13155	0.3
128.07080	1.6
128.08073	0.4
128.10750	0.8
128.14384	0.4
143.96175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53209	0.2
53.03949	1.0
53.10006	0.2
55.01878	0.9
55.05497	0.9
56.05024	0.6
56.96567	3.8
57.03438	0.3
58.06601	10.7
67.05510	0.3
69.03062	0.4
69.03431	6.3
69.07059	0.5
70.06596	1.1
71.04994	0.7
71.20420	0.2
79.05494	0.2
80.04998	0.3
81.03419	4.1
81.07058	0.5
82.02948	0.2
82.06580	2.6
83.01331	0.4
83.06157	0.2
84.08144	100.0
84.96041	0.3
85.02883	0.2
85.05149	0.5
85.08463	2.0
86.06075	0.8
97.02884	0.9
97.99194	0.3
99.04470	0.8
100.07623	0.5
103.00634	0.6
103.53928	0.8
104.00937	0.3
104.02000	0.2
109.02874	5.2
109.04850	0.3
109.07639	0.5
110.02393	0.8
110.03168	0.3
110.06046	1.3
110.09692	0.8
110.97565	0.9
112.54425	2.5
119.01894	1.1
121.01663	1.8
121.54977	0.3
122.01958	1.2
127.03931	4.3
127.05040	1.5
127.07201	1.5
127.08701	0.5
127.12320	3.6
128.04242	0.3
128.07086	1.6
128.08105	0.4
128.10718	0.5
128.98630	1.4
128.99507	0.2
139.00348	0.2
139.02707	0.5
140.03033	0.4
143.00163	0.4
145.03659	0.2
146.99670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53777	0.2
56.04778	0.4
56.05035	5.3
60.05642	1.0
70.06593	1.6
71.04996	1.8
78.50343	0.2
80.22076	0.2
83.06125	0.3
84.04504	100.0
84.08142	12.2
84.08667	0.4
85.02905	4.7
85.04836	1.4
85.08469	0.2
95.01318	1.0
102.05545	1.7
102.74645	0.2
112.03989	0.3
129.43613	0.2
130.05002	14.7
130.08630	1.8
130.09732	0.8
140.52269	0.2
149.16731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05035	5.1
57.03423	0.4
58.94198	0.2
60.05647	1.3
69.03430	4.1
69.07061	0.2
69.22275	0.3
69.22679	0.9
70.06229	0.4
70.06588	3.7
71.04993	2.6
72.97276	0.2
79.28250	0.2
82.06577	0.3
82.72244	0.2
84.04501	100.0
84.08138	35.4
85.02901	5.5
85.04823	1.6
85.08449	0.3
93.80103	0.2
95.01360	0.5
98.45565	0.2
102.05539	2.2
112.03953	0.4
112.07600	12.5
112.70224	0.2
116.00941	0.2
117.25967	0.2
130.04996	14.7
130.08643	9.4
130.09702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	5-Oxo-D-proline
Peak:m/z	Relative Intensity
56.05035	5.2
57.07076	6.3
60.05652	5.1
69.03427	2.3
69.76065	0.7
69.76464	0.6
70.06595	11.3
71.04993	11.0
73.55595	0.3
73.97099	0.4
74.09720	5.0
83.04893	0.3
84.04507	100.0
84.08144	54.9
85.02900	4.5
85.04839	1.9
85.08482	0.9
86.09714	0.3
88.07636	1.0
95.01355	0.6
98.22710	0.3
102.05538	1.4
104.84187	0.4
112.07609	6.0
112.88455	0.3
123.20943	0.3
130.04010	0.5
130.04195	0.3
130.05009	13.2
130.06502	3.6
130.08655	11.2
130.09764	4.5
130.15926	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	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
56.05035	2.4
60.05650	3.0
67.05495	0.6
70.06593	5.6
71.04994	6.1
71.06628	0.4
72.08147	0.6
77.56020	0.4
84.04514	0.8
84.08144	100.0
85.08462	2.6
88.07638	0.5
104.94687	0.4
112.07589	0.4
130.08653	15.2
130.09743	2.1
131.09024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
57.07076	50.0
58.07407	1.0
59.55435	0.5
65.92237	0.5
69.03423	2.2
69.32486	2.5
72.08140	0.9
74.09718	38.7
75.10064	0.7
77.35146	0.4
78.07330	0.5
83.54190	0.4
84.04517	2.4
84.08129	3.3
112.07600	7.1
113.08030	0.4
130.06531	2.1
130.08646	3.9
130.15916	100.0
130.54848	0.5
131.16281	3.9
144.67738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01627	0.3
53.03944	1.7
56.05030	1.1
57.03435	2.6
58.02958	0.7
58.06595	0.4
68.05031	0.6
69.03411	0.4
69.07056	1.6
69.85033	0.7
69.85422	0.5
72.04512	0.4
74.02444	0.8
77.03926	2.1
84.04523	0.5
85.43699	0.3
86.06064	1.5
86.09703	9.9
87.04472	0.5
90.90392	0.8
92.40413	0.3
95.04977	5.3
96.04468	1.3
98.22807	0.5
104.04990	46.2
105.03382	1.0
105.04513	2.4
105.05315	1.1
105.07038	1.0
132.04448	100.0
133.04796	2.9
133.06439	0.3
133.07593	0.5
133.10115	0.6
147.12141	0.4
150.96809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
54.03466	0.5
54.46754	0.3
54.64193	0.3
56.05024	1.4
57.03437	2.9
58.02960	0.7
58.06586	1.5
62.01800	0.3
64.62685	0.4
68.05025	1.1
69.03443	0.8
69.07060	3.4
69.27310	1.7
70.06583	0.5
70.07368	0.4
72.08145	0.8
74.02444	5.2
79.05483	1.2
82.73734	0.3
84.04494	1.1
86.06059	2.5
86.09705	23.3
87.05589	1.5
87.10039	0.4
88.04008	0.5
89.08376	0.3
91.05489	1.6
93.05780	0.7
95.04960	0.9
98.09672	0.6
103.05489	0.8
104.04983	1.3
105.07023	8.7
106.61020	0.3
114.05535	0.8
115.05459	11.6
116.03463	0.4
117.05758	37.5
118.06073	1.3
130.06517	5.1
131.07301	3.4
132.04478	3.6
132.06680	4.8
132.08087	100.0
133.06523	3.0
133.07594	0.7
133.08464	3.9
133.10086	0.4
143.06044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.05507	1.0
56.96559	0.9
57.03426	0.6
57.76908	0.4
58.06592	1.6
59.07383	0.7
60.04533	0.9
60.08160	1.5
68.05042	0.5
69.03443	0.5
69.07066	16.1
71.95886	0.5
72.05622	0.6
73.02904	0.5
73.06547	0.8
74.02449	4.2
84.04503	0.7
84.08174	0.5
86.06058	1.1
86.09705	100.0
87.02711	0.5
87.04482	0.6
87.05588	1.2
87.10037	1.8
90.05555	0.8
96.04545	0.5
100.02480	0.5
101.00861	0.5
112.07583	0.6
114.08142	0.5
114.09143	1.0
116.04504	0.6
118.03526	1.0
123.15757	0.5
132.07616	0.5
132.09244	0.9
132.10199	4.5
132.11172	0.7
132.13829	6.7
132.14711	0.7
147.60944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.55642	0.5
66.22704	0.6
69.07078	1.9
71.18855	1.0
86.09707	100.0
87.10033	1.6
118.97863	0.6
132.10201	1.4
145.49565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
57.03425	5.0
57.22571	1.0
58.99580	11.0
59.96722	1.4
61.01151	65.3
69.55936	3.3
70.02953	4.7
70.06593	33.4
72.00358	1.2
74.02441	100.0
74.99052	3.2
75.02719	5.8
76.16788	1.1
77.00620	2.9
84.80557	1.1
85.01133	9.4
85.02909	10.3
86.09724	1.1
87.02693	88.1
87.05593	35.9
87.10018	2.6
88.03999	11.3
88.07599	1.3
89.04263	1.6
91.02170	2.2
98.22710	2.2
99.04453	2.2
105.00094	4.0
105.03722	3.4
116.03465	9.6
116.07125	7.4
125.71515	1.0
133.03195	27.9
133.06076	4.5
134.11745	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.032
Annotation	THTC
Peak:m/z	Relative Intensity
53.03957	5.0
57.03429	6.5
58.52879	0.8
58.99591	11.5
59.96757	1.2
60.04533	1.3
60.62443	0.9
61.01152	81.2
62.45166	0.9
69.98033	3.0
70.02958	4.0
70.06594	26.2
72.00367	2.3
73.40905	0.8
74.02443	75.3
74.99087	4.8
75.02741	6.0
77.00629	5.9
85.01150	8.1
85.02912	13.5
86.10240	0.9
87.02695	100.0
87.05596	29.5
87.10068	2.6
88.03999	6.8
89.04282	1.6
91.02182	4.0
99.00863	0.9
99.04470	1.3
105.00116	7.1
105.03745	5.5
105.04390	1.0
111.85309	0.9
116.03465	7.2
116.07117	6.7
124.29697	0.9
133.03198	27.3
133.06113	4.1
133.07649	1.8
133.23769	0.9
134.08131	1.2
134.11795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
54.50621	0.4
56.05029	1.9
57.03428	0.7
58.06598	1.2
58.99584	1.6
60.04530	0.9
61.01151	9.2
62.49478	0.5
64.53388	0.5
69.07072	0.9
70.02953	6.8
70.06591	37.3
70.07395	3.1
71.04994	1.6
71.06918	1.2
71.23477	0.7
72.00354	0.6
72.08153	3.9
74.02439	100.0
74.06086	3.2
75.02755	1.5
77.00636	0.6
83.51431	0.5
85.01129	1.2
85.02898	1.7
86.09700	3.5
87.02688	12.3
87.05589	38.7
87.09490	0.9
87.10030	15.5
88.03989	11.3
88.05881	0.8
88.07636	4.0
89.74323	0.7
90.09171	2.5
98.02397	1.1
98.06039	2.9
99.00850	0.9
99.04472	1.8
102.09184	3.2
105.00073	1.4
115.08689	0.9
116.03452	9.6
116.07079	9.0
117.84996	0.6
133.03206	4.0
133.06078	6.1
133.07663	0.7
133.10555	0.7
133.42471	0.6
134.08176	0.9
134.11765	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	133.061
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
53.03944	0.8
56.05033	0.8
56.21233	0.4
57.03427	1.1
58.99582	1.5
60.04522	0.7
61.01153	9.7
70.02955	5.8
70.06596	18.5
70.15372	1.0
70.15702	0.6
71.05009	0.9
72.08150	0.7
74.02444	100.0
74.06081	1.5
74.99083	0.8
75.02766	1.6
77.00650	0.7
85.01137	1.0
85.02916	1.8
85.77685	0.5
86.09716	1.4
87.02695	13.2
87.05595	39.6
87.10031	7.4
88.03992	10.1
88.07638	1.8
90.09206	0.5
98.02437	0.8
99.00822	1.7
99.04463	1.6
102.09213	1.2
105.00103	1.0
105.03773	0.7
115.08700	0.6
116.03453	9.8
116.07099	4.8
133.00270	0.5
133.03195	3.0
133.06082	5.8
134.07121	0.6
134.08092	0.7
134.11781	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02388	0.8
53.03938	1.8
55.01874	9.7
62.65349	0.4
65.03923	0.9
70.06564	0.5
71.45387	0.5
74.02427	1.5
77.03926	4.3
79.05493	35.3
80.05836	1.0
91.05462	2.7
95.04968	8.9
103.05470	21.6
104.05736	0.9
105.04526	4.2
105.07030	53.4
106.07353	2.2
106.52751	0.4
107.04950	0.6
115.05457	3.3
118.04168	1.0
127.08591	0.5
133.06488	100.0
133.10109	1.5
134.05931	0.9
134.06830	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	133.0974
Annotation	L-Ornithine
Peak:m/z	Relative Intensity
60.39876	0.1
62.30459	0.1
63.29692	0.1
68.05027	0.2
70.02953	0.8
70.06590	100.0
70.21898	0.2
71.04989	0.3
71.06919	1.5
71.08516	0.2
74.02440	12.6
87.05588	3.4
87.09228	0.2
88.03990	3.5
88.07639	0.2
90.62806	0.2
97.06782	0.1
97.07655	0.3
110.73323	0.2
113.02619	0.1
115.08688	3.4
116.03434	1.1
116.07088	22.6
116.40884	0.2
117.07418	0.2
133.06100	0.5
133.09727	0.6
134.04456	0.2
138.04631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
65.03941	0.5
70.58900	0.6
79.05502	3.6
91.05483	12.8
92.06284	0.5
93.07039	4.0
95.04961	0.7
103.05468	2.4
105.07033	39.0
106.07361	1.2
107.08588	0.9
107.98231	0.3
115.05457	4.4
116.06277	0.9
117.07024	4.8
118.07809	5.6
122.34391	0.3
129.07014	0.4
131.08565	5.4
133.10130	100.0
134.10452	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	0.3
54.15938	0.3
55.05513	1.7
70.75368	0.6
77.03917	0.6
79.05498	4.4
91.05486	13.8
93.07059	4.4
95.04997	0.8
101.55300	0.3
103.05470	2.0
105.07034	38.1
106.07355	1.1
107.08591	1.4
108.89527	0.4
115.05453	4.1
116.06219	0.7
116.20183	0.4
117.07023	5.5
118.07809	6.3
129.06952	0.5
131.08565	5.6
133.10133	100.0
134.10458	3.7
137.02739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.13464	0.5
55.05514	4.6
65.03921	0.5
67.05496	0.6
69.07072	0.6
71.44814	0.5
77.03891	1.0
78.16093	0.6
79.05492	5.5
85.72785	0.5
87.04488	3.3
88.93631	0.6
91.05484	20.8
93.07051	6.1
95.04964	1.3
97.10175	1.0
100.95702	0.5
103.05482	2.5
105.07034	83.4
106.07369	2.6
107.08608	1.3
111.70029	0.6
114.21533	0.5
114.53990	0.6
115.03912	1.7
115.05469	4.7
116.06206	1.4
117.07020	5.4
118.07805	5.9
121.05727	0.5
131.08569	8.4
133.06516	1.9
133.10132	100.0
134.06003	1.2
134.10463	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03952	0.7
55.05516	3.0
58.78514	0.4
67.05509	0.8
71.50282	0.5
77.03931	1.3
79.05489	6.3
87.04458	1.3
91.05486	24.1
92.05804	0.7
93.07055	4.9
95.04982	1.2
100.25021	0.5
103.05498	3.3
105.07034	66.5
106.07374	2.0
107.08579	1.5
115.03947	0.4
115.05447	4.9
116.06246	1.4
117.07030	5.3
117.87321	0.6
118.07811	7.7
131.08575	9.2
133.06520	1.8
133.10132	100.0
134.10451	4.1
144.58487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03932	0.3
55.05514	1.7
63.09354	0.3
67.05476	0.4
77.03921	0.5
79.05497	3.6
85.96697	0.3
88.04905	0.3
89.91029	0.3
91.05482	11.1
93.07037	3.2
95.04994	0.6
103.05489	1.5
105.07033	36.5
106.07384	0.7
107.08570	0.6
115.05457	3.9
116.06236	0.6
117.07025	4.5
118.07792	5.1
121.27351	0.3
131.08575	5.6
133.06473	1.3
133.10129	100.0
134.10480	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
51.60828	0.2
53.03949	0.3
55.05510	1.7
58.71993	0.2
65.03944	0.3
67.05489	0.2
70.50433	0.2
70.59864	0.3
77.03930	0.5
79.05490	3.9
87.04460	0.5
91.05480	12.3
92.05787	0.3
92.06297	0.3
93.06069	0.2
93.07052	4.0
95.04971	0.8
103.05469	1.6
105.07032	39.9
106.07368	1.2
107.08601	1.0
115.03963	0.6
115.05459	4.1
116.06247	0.7
117.07012	4.5
118.07812	5.6
129.07027	0.6
129.71126	0.2
131.07832	0.1
131.08572	6.0
133.06680	1.6
133.10130	100.0
134.10469	3.8
150.02544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03951	7.8
62.98266	1.4
67.05530	1.2
71.46014	1.1
77.03930	7.2
79.05483	9.5
91.05490	1.3
92.02628	18.2
93.07054	1.6
94.06582	1.0
95.04976	35.2
103.05501	1.8
104.64581	1.0
105.04532	18.9
105.07030	3.1
107.04978	2.6
107.08565	1.8
116.08986	1.1
125.06003	20.9
125.49510	1.1
135.04424	100.0
135.05524	23.8
135.06552	2.0
135.08014	2.1
135.09117	2.5
136.02171	18.3
136.03879	2.0
136.04938	2.0
136.06187	11.4
136.07220	1.6
136.07571	1.5
136.11250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
58.47631	1.3
62.00121	1.3
63.02367	4.2
64.01859	1.5
77.03936	2.5
79.05488	16.0
82.74380	1.2
85.11897	1.3
89.03918	89.7
90.04235	1.6
91.05481	2.3
93.07051	3.3
95.04958	9.1
105.04517	3.9
107.04953	21.9
107.08586	5.8
108.02245	1.1
117.03378	39.7
132.12262	1.3
133.33389	1.3
135.04424	100.0
135.05443	4.2
135.08049	2.6
135.11658	2.0
136.02171	34.1
136.04829	2.5
136.06175	4.3
136.07584	1.9
145.03949	2.2
146.77632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03956	1.6
56.00210	0.6
59.64736	0.5
63.02367	3.4
71.43031	0.7
72.48168	0.5
73.53763	0.5
77.03932	2.2
79.05502	15.9
89.03922	100.0
89.53907	0.5
90.04260	2.2
95.04979	6.9
104.06296	0.6
105.04516	4.1
107.04958	20.5
108.05325	0.7
112.92771	0.6
117.03381	42.3
128.77872	0.6
135.04420	93.3
136.02161	11.8
136.04782	2.0
136.06194	3.4
145.03972	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0807
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
51.02382	0.9
53.03936	1.9
62.98271	0.9
72.53426	0.6
77.03927	2.8
79.05496	40.2
80.05053	0.8
80.05842	1.0
91.05474	3.3
92.06279	0.7
93.07032	0.8
94.77666	0.6
95.04970	10.3
103.05471	32.3
105.04546	4.3
105.07034	100.0
106.07371	3.9
107.04977	1.2
107.08588	2.0
109.01108	1.5
110.76497	0.6
120.05726	9.7
135.04436	1.9
135.05588	1.4
135.08066	50.0
136.02165	27.8
136.03885	1.1
136.06197	7.4
136.07556	2.1
136.08456	1.4
136.11237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	4.3
55.01881	0.8
55.05519	12.9
57.07058	0.9
65.03943	1.1
67.05499	3.2
69.07067	3.5
77.03938	3.9
79.05499	41.5
81.07079	5.4
91.05483	45.6
92.05834	0.9
93.07048	100.0
94.07364	3.7
94.07874	1.0
95.04420	1.2
95.04979	16.4
103.71214	0.8
105.03410	1.6
105.04504	8.9
105.07036	15.3
107.04954	2.6
107.08599	85.2
108.08183	2.0
108.08932	3.8
109.01127	1.8
109.06521	5.6
119.06083	4.2
119.08595	6.9
120.09355	3.1
133.10172	1.2
135.04427	16.1
135.05507	3.2
135.06519	1.1
135.08090	2.5
135.09140	1.5
135.11697	33.5
136.02173	51.3
136.03879	1.9
136.05150	1.2
136.06178	6.8
136.07564	4.3
136.08505	0.8
136.11169	4.2
136.12102	1.3
151.03941	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.90850	0.7
53.03940	1.1
55.05510	8.2
65.03931	0.9
67.05501	2.7
69.07070	3.5
69.59063	3.1
77.03934	2.4
79.05494	17.2
80.05859	0.9
81.07059	3.4
91.05482	25.2
92.05800	1.0
93.07043	59.9
94.07375	1.7
95.04961	5.3
101.66570	0.9
105.04520	3.5
105.07016	9.8
107.08594	100.0
108.08949	4.5
109.06519	4.4
116.56154	0.8
117.07005	1.4
119.06085	3.9
119.08591	3.7
133.10144	0.9
135.04442	0.9
135.08069	1.7
135.11693	20.8
136.02144	6.0
136.06207	1.4
136.07515	0.9
136.11992	1.9
154.55650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	1.7
55.05511	9.1
55.98594	1.1
56.50592	1.1
57.07085	1.7
59.44045	1.1
62.74961	1.2
64.85767	1.0
65.03909	1.3
67.05506	1.6
69.07056	3.0
72.39809	1.1
77.03918	2.9
79.05492	19.0
81.07064	2.9
89.03904	1.5
90.89780	1.0
91.05476	44.6
93.07043	51.0
94.07355	1.3
95.04959	7.3
96.19782	1.2
103.05457	2.5
105.04504	3.3
105.07034	19.3
107.04983	2.0
107.08591	100.0
108.08952	4.2
109.01114	1.4
109.06533	6.3
117.06979	1.4
119.06055	4.8
119.08566	11.9
120.09344	3.6
133.10173	1.4
135.04390	3.1
135.05534	1.5
135.08022	3.4
135.09050	1.8
135.11691	44.3
136.02170	23.9
136.06203	3.6
136.07584	2.4
146.99512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14163	0.5
53.03944	1.3
53.82441	0.6
54.39571	0.5
55.05513	7.9
65.03948	1.7
67.05505	2.8
69.07082	4.4
69.69267	2.3
77.03938	2.3
78.55804	0.5
79.05499	19.5
81.07069	3.2
91.05488	25.8
93.07051	62.4
94.07371	2.2
94.07883	1.1
95.04970	5.1
96.53874	0.6
98.23409	0.7
105.04530	2.9
105.07037	10.2
107.08599	100.0
108.08916	3.1
109.06522	3.7
119.06088	3.3
119.08597	3.4
120.09377	0.9
133.10143	0.8
135.08054	1.7
135.11705	20.4
136.02180	5.1
136.06215	1.8
136.12044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03962	1.4
55.05511	8.2
63.78164	1.0
65.03936	1.5
67.05517	3.2
67.11932	0.9
69.07072	3.0
69.39710	1.7
69.40116	2.0
75.18027	0.7
75.35487	0.7
77.03936	1.9
79.05499	15.9
80.04984	0.8
81.07063	3.6
91.05486	23.5
93.07050	54.8
94.07362	2.1
95.04977	6.1
96.90361	0.8
105.04523	3.2
105.07039	11.5
107.08598	100.0
108.08942	3.9
109.06525	4.5
117.07071	1.0
119.06065	4.0
119.08573	6.0
120.09365	1.9
133.10136	1.0
135.04466	1.5
135.08101	0.9
135.11699	25.4
136.02165	10.9
136.06216	3.2
136.07574	2.0
136.12042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
55.65516	0.3
69.89667	0.3
70.94088	0.5
78.54485	0.3
79.38325	0.3
92.02471	0.4
94.04061	3.0
109.05157	0.7
119.03552	7.9
136.02174	4.2
136.06184	100.0
137.04626	2.8
137.06619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.6
63.02761	0.2
68.97874	0.2
69.57816	0.2
70.38129	0.4
71.44134	0.2
82.04063	0.2
85.23547	0.2
91.05492	2.9
92.02502	0.3
92.73149	0.2
94.04060	2.8
98.22755	0.2
109.05135	0.5
110.03526	0.7
110.27128	0.2
112.05139	0.2
113.00908	0.3
119.03554	7.8
119.04819	1.0
131.01909	0.7
136.02179	2.8
136.06184	100.0
137.04594	7.1
137.06602	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
54.77583	0.2
69.54325	0.5
75.64834	0.3
79.05479	0.3
91.05474	2.1
92.02514	0.3
94.04060	1.3
94.06599	0.3
94.07377	0.3
95.08633	0.3
97.69642	0.3
100.37164	0.2
102.33301	0.3
106.07412	0.4
108.08109	0.5
108.08883	0.4
108.63844	0.3
109.01085	0.7
109.05165	0.6
116.19324	0.3
119.03550	8.1
119.04884	0.5
122.03631	0.5
136.02168	11.4
136.06181	100.0
136.11234	0.8
137.02385	0.4
137.04581	7.0
137.05887	1.6
137.06728	0.6
140.99959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
59.94816	0.8
65.03938	1.1
67.05502	1.8
68.99780	4.9
71.45429	1.0
79.05487	2.0
80.05000	0.9
81.03417	83.1
81.07061	2.9
82.03738	1.2
84.86768	1.0
91.05496	4.5
94.04169	8.3
94.06549	1.1
95.04979	2.0
95.08608	2.1
96.02139	6.6
109.02882	15.6
109.06528	2.4
109.10139	1.2
110.06046	2.4
116.97732	0.9
120.04484	2.1
122.03657	12.2
127.03923	20.9
137.02359	100.0
137.05984	32.1
137.07103	6.7
137.09669	2.1
137.10736	4.3
138.01733	2.1
138.02664	2.0
138.05499	6.4
138.09120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	0.5
55.01875	0.8
55.05500	0.5
65.03942	0.9
66.04719	3.4
67.05505	2.8
69.07057	0.4
77.03912	0.6
79.05489	3.5
81.03417	0.5
81.07061	3.6
91.05475	5.5
92.05030	0.3
93.07008	0.4
94.04187	26.6
95.05001	2.5
95.08599	2.8
105.04518	0.5
107.04939	1.4
109.06521	1.3
109.10153	1.7
110.06029	0.4
119.04948	0.8
119.08498	0.4
122.03648	45.2
122.07275	0.9
123.03975	1.4
135.04417	0.5
137.02573	1.7
137.05978	100.0
137.09575	3.4
138.01776	0.4
138.05424	0.6
138.06323	2.8
138.09154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01601	0.7
52.50334	0.7
66.04713	3.3
71.43231	0.7
79.05482	2.8
81.07045	1.6
82.58849	0.8
91.05483	2.2
94.04190	29.7
95.04985	1.2
96.04486	1.0
105.04520	1.0
109.06491	0.8
109.07655	0.8
110.06041	1.2
121.06495	1.5
122.03651	47.8
123.04039	1.0
135.04463	0.9
137.02563	3.5
137.05971	100.0
137.10710	1.7
138.01746	1.0
138.05455	2.0
138.06328	2.7
138.09129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03925	0.5
55.01855	0.9
56.17484	0.4
65.03926	1.2
66.04727	2.0
67.05492	1.2
68.05012	0.5
69.03448	0.9
71.43808	0.4
77.03898	0.8
79.05513	2.6
79.05872	0.6
80.05021	0.4
81.07059	3.0
83.36053	0.4
91.05473	3.4
92.04990	2.1
92.05818	0.6
93.07025	0.7
94.04187	26.4
94.06561	6.1
95.04963	1.2
96.04469	1.7
105.03413	0.5
105.04506	0.5
107.04933	1.2
107.85909	0.4
109.06507	1.5
109.07619	0.7
109.70167	0.5
110.06046	4.5
120.04453	1.5
122.03648	47.0
123.03996	1.1
135.04330	0.5
137.02551	4.5
137.05956	100.0
137.10690	1.4
138.01764	1.9
138.05490	37.8
138.06326	2.1
138.09084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02374	0.4
53.03951	0.3
55.01866	0.3
60.04610	0.2
65.03938	1.0
65.80354	0.2
66.04723	3.4
67.05511	0.3
69.03445	0.2
69.49622	0.8
77.03922	0.8
79.05497	3.0
81.07053	1.7
87.81577	0.2
91.05479	2.7
94.04184	29.4
95.04456	0.5
95.05006	1.0
105.03418	0.4
105.04503	0.6
107.04959	1.6
109.06512	0.7
116.15524	0.2
122.03643	49.8
123.03970	1.3
135.04362	0.5
137.05972	100.0
138.05301	0.3
138.06305	3.1
143.04695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42881	0.4
53.03936	0.5
55.01907	0.4
55.05511	1.0
65.03951	0.6
67.05503	18.2
69.03423	0.4
69.07072	0.4
69.44123	2.0
77.03947	1.0
79.05492	2.3
81.07056	6.5
82.06588	0.4
91.05476	8.1
91.06051	0.4
93.07044	3.1
94.04187	1.5
94.07820	1.0
95.04964	2.8
95.08604	5.1
103.05472	1.1
104.06269	0.8
105.04552	0.6
107.04951	11.3
107.08592	1.4
109.06525	0.8
109.10154	29.7
110.10497	0.7
117.07018	1.0
119.08577	11.2
121.06523	5.6
122.03651	1.8
122.07288	66.6
123.07642	1.3
135.08043	3.6
137.02423	0.5
137.06039	4.8
137.09615	100.0
138.05511	0.5
138.09926	2.7
146.75792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
55.05511	1.3
66.00554	0.6
66.69965	0.6
67.05505	19.0
68.11160	0.5
69.03415	0.7
69.07045	0.8
69.50861	2.7
69.92403	0.6
70.66788	0.5
77.03921	1.0
79.05474	1.8
80.89342	0.5
81.07052	5.6
91.05485	7.6
93.07050	2.8
94.04169	0.9
94.07817	0.8
95.04948	1.7
95.08608	4.9
98.83147	0.5
100.82508	0.5
103.05461	1.3
104.06242	0.6
107.04949	11.8
107.08548	1.2
109.06548	0.6
109.10158	28.8
110.10508	1.1
119.08572	11.6
121.06512	6.2
122.03659	1.7
122.07288	68.7
123.07622	1.2
135.08032	3.0
137.06020	3.5
137.09615	100.0
138.09996	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03947	1.0
55.05510	5.2
57.06816	1.1
57.07078	13.8
65.03949	0.8
67.05507	23.5
69.07072	6.9
70.20004	1.1
70.20344	1.2
79.05495	8.1
81.07058	88.5
82.07393	1.7
87.51182	0.7
91.05487	5.7
93.07043	4.9
94.04167	1.1
95.04947	1.1
95.08607	100.0
96.04465	0.7
96.08952	2.1
107.08595	1.2
108.04513	0.8
109.06534	0.8
109.10155	10.0
110.06023	1.3
119.04943	2.9
120.04433	1.7
122.03622	1.8
137.02493	3.2
137.05991	7.3
137.07115	3.2
137.09648	2.5
137.10712	1.9
137.13252	19.4
138.01776	1.3
138.05507	4.2
138.13596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03936	0.3
53.21835	0.2
59.85954	0.2
65.03944	0.8
67.05486	0.6
70.52378	0.2
78.03451	0.6
78.39345	0.2
92.05001	5.6
93.05795	0.4
94.06570	13.7
95.06068	0.2
95.06879	0.2
96.04491	1.7
110.06043	7.5
111.06329	0.3
121.06525	0.3
136.03944	0.3
138.05501	100.0
139.05870	2.6
141.53839	0.2
154.04977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98653	0.4
56.96568	16.4
57.97358	0.3
59.40181	0.4
63.72095	0.3
70.81132	0.5
71.95264	1.1
98.97588	100.0
99.97945	0.7
116.98625	46.6
131.16559	0.3
134.99663	11.9
140.00223	0.6
153.00699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
57.74927	3.5
61.05651	2.8
65.62273	2.9
69.03419	3.6
71.03032	3.2
82.06583	14.1
82.99828	6.2
96.04483	4.7
96.08119	3.6
100.02509	4.2
101.00885	44.8
118.03482	15.5
119.01920	100.0
124.02477	8.9
124.03935	4.7
124.11246	21.4
125.02421	3.2
136.04597	8.0
137.02928	21.6
142.03485	52.8
142.04514	3.6
142.12253	48.4
143.03427	11.6
160.04550	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89958	2.9
64.28982	2.9
65.08579	3.1
70.20606	3.3
70.95005	5.5
82.99864	9.3
95.88683	3.1
100.02485	8.4
101.00875	58.2
102.66953	3.2
114.62731	3.0
118.03519	14.6
119.01911	100.0
124.02509	6.2
125.25314	3.5
137.02954	17.6
142.03488	38.3
160.04590	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99130	1.9
56.96557	4.1
68.05011	4.0
76.12868	2.2
82.06583	3.3
82.99840	2.5
83.75436	2.0
93.65500	2.5
96.04477	3.8
96.08114	7.7
97.02894	2.7
98.22590	2.9
98.97591	3.6
100.02498	3.4
100.97158	2.2
101.00885	40.2
118.03556	10.2
118.37341	2.2
119.01920	100.0
119.02769	5.1
120.02028	2.3
122.09658	2.1
124.02413	3.3
124.11208	3.6
125.02345	6.4
129.33479	2.4
136.04491	3.3
137.02942	20.4
142.03514	31.9
142.04625	4.1
142.08609	4.9
142.12263	57.1
143.03395	12.2
160.04622	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	144.0656
Annotation	3770-22-7
Peak:m/z	Relative Intensity
53.03941	0.6
54.63659	0.4
55.01870	2.2
55.05512	9.1
56.05046	0.8
57.03435	3.1
58.06600	1.3
61.02905	0.4
68.05035	0.4
69.03068	0.5
69.03429	7.2
69.08907	2.3
70.06593	18.0
71.04987	1.4
71.06937	0.4
73.02909	0.6
74.02419	0.5
80.04998	0.5
81.03419	1.6
84.04503	11.9
84.05009	0.7
84.08146	6.4
85.02903	14.3
85.03418	0.7
86.62926	0.3
97.02903	3.7
98.06053	100.0
98.09687	8.2
98.23531	0.7
99.04455	3.9
99.06374	1.5
109.02869	0.6
116.07101	1.3
120.02041	0.4
120.97915	0.5
121.01685	1.0
126.02705	0.5
127.03934	1.7
136.34879	0.3
139.31361	0.3
144.03767	0.6
144.05457	0.6
144.06554	10.5
144.10196	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	145.0497
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03938	5.7
54.93705	1.3
55.01875	15.6
55.27989	1.3
57.03436	16.9
58.06586	1.5
60.05641	2.3
60.08175	1.6
61.02919	5.1
69.03431	50.7
71.01363	2.6
71.04993	43.2
71.33428	1.2
72.08150	3.5
73.02911	3.9
74.79859	1.2
81.03422	8.8
82.06609	1.7
83.04991	2.2
84.08145	1.7
85.02905	100.0
85.08479	3.0
86.06070	9.8
86.09709	1.8
87.04467	14.3
97.02904	16.8
99.04458	95.1
99.06387	4.9
100.04808	1.8
100.07602	4.6
101.85240	1.3
103.00652	3.1
103.02445	1.2
104.07096	2.6
109.02880	3.6
111.05518	1.6
121.01635	8.9
121.96645	2.2
127.03925	11.9
128.07082	2.8
128.08102	1.6
145.04979	4.2
145.10561	20.0
146.08133	5.7
146.09280	4.2
146.11761	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	145.0497
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03949	3.2
54.57986	0.6
55.01619	0.9
55.01873	14.4
55.05502	2.1
56.05029	0.7
56.40914	0.6
56.96569	1.3
57.03183	1.3
57.03439	16.1
58.06617	1.5
60.05640	2.7
60.08147	0.7
61.02930	3.5
66.26540	0.6
69.03429	51.6
71.01346	1.9
71.04993	5.3
71.26550	0.9
72.08150	1.1
73.02919	3.9
81.03414	5.9
82.06619	0.9
83.01353	1.5
83.04982	1.6
84.08145	1.5
85.02903	100.0
85.08472	1.5
86.06071	8.8
87.04469	17.5
97.02893	15.8
98.09640	0.8
99.04457	29.3
99.06395	1.9
99.10043	0.9
100.07610	2.8
101.00894	1.8
101.02391	0.9
101.05991	0.9
103.00633	7.2
104.07099	1.9
109.02875	1.8
110.06008	0.6
111.05544	1.2
114.32655	0.6
115.03922	1.1
116.07122	0.7
119.01932	8.0
120.02074	1.2
121.00802	1.3
121.01669	24.5
121.02371	1.3
127.03931	9.1
128.07127	0.9
128.08214	1.0
137.02965	2.2
139.02692	9.3
139.03712	0.7
140.02988	0.8
140.55148	0.6
142.03572	0.8
144.03282	0.6
145.03505	2.6
145.04996	2.9
145.10555	4.7
146.08112	6.0
146.09262	5.7
146.11777	1.9
163.04520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	Methylitaconate
Peak:m/z	Relative Intensity
53.03949	1.8
55.01876	4.4
56.05033	1.4
57.03439	7.9
58.06599	0.8
61.02931	3.0
69.03426	20.8
69.41621	2.4
69.42012	1.7
70.06612	2.1
71.04988	3.0
72.04507	0.9
72.08155	100.0
78.42109	0.7
81.03413	4.3
82.06580	2.3
83.01300	1.0
84.08144	58.6
85.02904	31.8
85.08471	1.1
86.06061	2.0
87.04490	1.5
89.03921	4.8
95.71536	0.8
97.02888	8.2
98.06062	1.8
98.09702	1.4
99.04458	6.8
99.06358	5.0
100.07652	2.2
101.00917	0.8
101.10793	0.9
103.00655	1.0
109.02880	1.5
115.03900	0.8
117.03383	2.6
121.00792	2.3
121.01692	7.5
121.61555	1.0
121.96643	1.7
121.98306	0.7
127.03921	5.8
128.07123	1.2
128.10721	6.5
139.01801	3.4
139.02756	1.9
145.05051	1.5
146.06107	0.8
146.08124	6.8
162.02020	0.6
163.01764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0497
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03946	4.6
55.01876	13.3
55.05505	1.9
56.22247	1.0
56.96565	2.8
57.03443	16.1
57.04580	1.3
60.95840	1.4
61.02932	11.1
62.92986	2.1
67.01860	5.8
69.03432	100.0
69.69827	2.4
69.70216	2.6
70.06588	1.4
71.04991	14.2
72.08157	14.5
73.02925	2.8
74.07198	3.1
79.54436	1.0
81.03430	11.1
81.07116	1.5
82.06599	1.4
83.01354	2.4
83.04991	1.6
84.08127	5.7
85.02907	81.3
85.08470	2.1
86.06084	3.8
86.09719	1.2
87.04469	2.7
89.06046	1.3
97.02896	20.8
98.97604	2.1
99.04459	33.9
99.06377	1.8
100.07633	2.3
102.96859	2.6
103.00661	4.3
103.97218	3.2
109.02894	6.1
116.98651	1.5
118.51113	1.1
119.01912	3.3
120.97919	2.1
121.01665	11.6
121.24267	1.4
121.96668	4.3
121.98271	1.8
122.02003	1.1
126.12794	2.9
127.03915	38.0
139.02721	2.4
139.24760	1.1
144.13873	3.4
145.04997	6.7
145.14264	3.0
146.08098	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	146.0601
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
57.03450	0.6
60.93687	0.2
62.88509	0.2
65.03940	0.4
77.03922	0.4
80.05024	0.2
82.06578	0.3
86.06055	0.6
91.05479	9.6
95.04999	0.3
98.31724	0.3
100.07602	0.6
112.14306	0.2
117.05753	3.4
118.06543	16.0
119.04943	6.2
123.55816	0.3
128.04956	4.7
129.04495	1.6
146.06004	100.0
146.07996	2.4
147.04454	2.9
147.06349	3.4
147.40178	0.3
156.05554	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	146.0601
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
56.05037	0.7
57.03434	2.3
59.61417	0.3
68.05009	0.5
69.44303	0.8
69.44694	0.7
70.06577	0.3
73.35606	0.3
81.03391	0.4
82.06593	2.1
83.04970	0.4
84.04492	0.8
84.08100	0.3
86.06060	1.4
91.05481	5.9
95.04947	0.4
98.22701	0.6
100.07605	1.8
110.06055	0.4
116.07076	1.0
117.05766	3.4
118.06543	15.1
119.04943	0.5
119.06880	0.5
123.96474	0.4
128.04964	5.4
128.07086	0.8
129.04533	1.7
146.06004	100.0
146.08092	8.5
147.05534	0.3
147.06377	3.5
156.05551	3.3
161.73294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
52.30621	0.4
53.51351	0.4
55.01862	0.5
55.05503	1.4
56.05038	2.4
57.03181	0.6
57.03440	6.6
58.06587	0.8
65.03930	1.0
68.05022	1.7
69.03419	1.0
70.06593	1.5
71.04990	0.9
72.04501	1.0
72.08160	6.6
74.06074	0.7
80.05016	1.1
81.03422	2.4
82.06584	6.5
83.04987	1.7
84.04513	2.3
84.08144	0.6
85.02882	0.6
86.03237	0.4
86.06078	5.1
87.04472	1.1
91.05483	22.1
92.05829	0.5
98.06041	1.9
99.04501	0.4
100.07029	0.7
100.07626	7.5
102.05502	0.4
104.90815	0.4
105.51321	0.4
110.06047	1.8
111.04474	1.2
112.11242	1.6
116.07115	2.7
117.05769	3.9
118.06544	100.0
119.04961	4.0
119.06181	0.5
119.06884	3.2
123.96507	0.8
127.37939	0.4
128.04109	0.7
128.04976	7.0
128.07088	2.7
129.05447	1.1
130.05042	0.8
133.27034	0.4
134.21100	0.4
137.24678	0.4
146.06023	35.7
146.08104	31.9
146.91939	0.4
147.04417	2.6
147.05525	1.1
147.06500	0.7
147.08228	0.5
147.09248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.05509	1.7
56.05037	4.3
57.03180	0.7
57.03439	9.8
58.06602	8.7
64.92795	0.5
68.05035	1.9
69.03431	2.0
69.07069	3.1
69.29486	0.5
69.40742	1.8
70.06591	1.7
71.05009	1.4
72.04519	1.5
72.08156	100.0
73.08487	1.2
75.09241	4.1
80.05038	1.2
81.03414	2.4
82.06575	7.6
82.86880	0.4
83.04984	2.0
84.04505	25.7
84.08143	10.8
85.02905	1.6
86.06068	7.2
86.09707	82.6
87.04472	1.8
87.10049	1.7
90.04253	1.9
91.05485	10.1
98.06047	3.0
98.23422	0.9
99.04467	0.6
100.07620	10.4
101.07163	0.9
101.07928	0.5
102.05553	1.3
110.06042	2.4
111.04479	1.6
112.11246	21.8
115.25237	0.5
116.07077	3.9
117.05766	1.2
118.03754	1.2
118.06544	22.4
119.04944	4.3
119.06906	1.1
123.96472	0.7
128.04968	7.4
128.07076	4.7
129.05418	1.3
129.13898	6.0
130.05005	8.5
146.06035	27.5
146.08113	44.6
146.11816	1.4
146.16518	3.4
147.04431	3.6
147.05530	1.3
147.08408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.34487	0.5
53.52544	0.6
54.46111	0.5
55.12671	0.5
55.51905	0.5
65.03941	7.7
69.60268	1.6
69.60651	1.2
70.09781	0.5
72.08137	0.8
73.08473	0.7
73.15099	0.6
74.29623	0.5
79.99388	0.5
84.04504	12.7
84.08122	1.3
91.05482	84.7
92.05815	1.6
98.22715	0.6
102.05582	0.8
103.05454	1.5
119.04946	100.0
120.05257	3.0
125.40083	0.6
130.05006	3.8
147.04411	56.3
147.05426	2.2
148.04794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
64.46825	0.3
64.83658	0.4
65.03940	7.2
69.27940	1.4
69.28355	0.6
73.08495	0.5
77.03909	0.4
84.04504	7.6
84.08137	0.8
89.64561	0.4
91.05481	81.8
92.05844	1.9
93.39148	0.4
102.05548	0.3
105.04505	0.4
119.04943	100.0
120.05273	4.0
123.96462	0.4
124.84550	0.4
130.05014	2.2
147.04410	51.0
148.03752	0.3
148.04817	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05509	1.1
65.03945	8.5
66.04263	0.5
69.07079	2.2
84.63847	0.5
85.28622	0.5
86.87907	0.5
90.45821	0.5
91.05482	82.2
92.05825	2.1
93.07086	0.6
94.64983	0.5
96.58369	0.5
97.05164	0.5
98.22718	1.6
99.78328	0.5
103.05453	0.9
105.07046	4.7
119.04945	100.0
119.08562	5.5
120.05251	2.8
131.92050	0.6
135.94754	0.7
147.04411	53.2
147.09233	0.7
147.11691	3.1
148.04738	1.9
153.09920	0.5
158.02347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
50.77850	0.4
56.04820	0.3
56.05037	3.9
59.18750	0.4
70.85491	0.8
84.04503	100.0
84.08141	17.4
85.02905	1.1
85.04826	1.4
93.64870	0.4
100.66797	0.4
101.07138	2.6
102.05518	3.0
126.72663	0.3
130.05000	36.5
130.08624	2.2
131.05388	0.8
147.07677	1.3
152.73286	0.4
168.57602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71742	0.4
56.05039	3.7
65.60499	0.4
70.68876	0.4
70.85489	0.8
75.77051	0.4
78.21388	0.4
84.04504	100.0
84.08142	23.5
85.02895	1.2
85.04834	1.1
101.07131	3.5
102.05537	3.2
102.42554	0.5
130.05000	39.9
130.08646	3.5
147.07663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	2.9
56.39424	0.3
58.06584	0.4
60.05664	0.3
62.60446	0.4
65.03937	0.4
67.05506	1.1
70.06586	1.9
71.04983	0.8
71.94862	0.3
84.04508	23.8
84.08143	100.0
84.34116	0.3
84.39980	0.3
85.04831	0.4
85.06522	0.7
85.08479	2.7
88.04018	0.7
88.04770	0.4
91.05463	1.0
97.86964	0.3
100.39999	0.4
101.07142	0.9
102.05556	1.6
112.07649	0.7
119.04953	2.3
129.10207	0.5
130.05002	8.6
130.08649	17.1
130.09665	0.9
131.05336	0.3
131.09016	0.5
138.85315	0.3
147.04422	0.7
147.05516	0.4
147.11249	0.7
149.98106	0.3
157.04318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.113
Annotation	L-Lysine
Peak:m/z	Relative Intensity
50.63960	0.3
56.05037	2.1
59.07510	0.3
67.05507	1.2
70.43730	0.5
82.09117	0.3
84.08145	100.0
85.06526	0.6
85.08479	2.0
85.81014	0.3
112.07623	0.5
119.05245	0.3
126.30951	0.2
129.10205	0.5
130.08641	15.5
131.09026	0.5
147.11324	1.0
151.59274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.39801	0.7
53.50061	0.7
55.05513	11.4
60.52207	0.8
67.05495	2.5
67.33403	0.7
69.07070	3.8
69.74782	2.8
69.75132	1.1
77.03921	0.9
79.05497	4.5
81.07064	2.2
91.05482	27.6
93.07034	2.9
95.04910	1.0
103.05450	2.5
105.07031	100.0
106.07386	2.6
107.08600	3.1
109.06491	1.0
117.07028	5.6
119.08579	86.2
120.08903	2.5
132.09346	1.9
145.10115	8.3
147.11688	74.2
148.12029	3.0
156.50005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05516	8.1
64.92809	1.8
67.05470	3.4
69.07050	3.1
70.77631	1.5
76.44399	1.0
79.05484	6.0
81.07040	1.9
84.04505	1.9
84.17759	1.0
91.05486	22.8
93.07035	2.9
95.04949	1.5
103.05460	1.7
105.07029	97.3
105.49650	1.0
106.07387	2.6
107.08605	5.8
117.07001	10.8
119.08577	100.0
120.08891	3.4
123.96419	2.7
131.08533	1.8
132.09366	7.0
145.10136	6.9
147.05457	1.8
147.08047	1.7
147.11681	86.4
148.12018	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
53.03948	1.9
55.01859	2.8
61.01152	1.2
63.10970	0.7
65.03941	26.0
68.70628	0.7
69.56821	1.6
69.57210	1.2
77.03905	1.2
77.92222	0.7
78.03803	1.9
78.04731	4.3
79.05489	2.7
89.03914	35.9
91.05486	6.4
93.03400	8.5
93.07043	5.3
95.04988	3.9
102.03735	1.0
103.05466	50.5
104.05818	1.0
105.03392	1.5
105.04512	2.2
106.04171	4.0
107.04959	1.0
111.04455	6.7
117.03371	18.1
121.02866	43.4
121.03968	14.4
121.06489	9.0
121.07389	1.1
122.03116	0.9
131.04929	38.9
134.02701	1.1
134.03641	7.9
135.04391	3.0
149.02339	100.0
149.05974	45.8
150.02675	3.4
150.06346	2.2
156.20880	0.8
167.03354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02390	0.9
53.03941	1.4
56.05049	0.9
57.46718	0.5
65.03942	11.6
70.70293	0.6
77.03920	3.7
79.05494	41.3
80.05846	0.9
84.04489	1.1
85.04861	0.7
91.05483	7.7
93.03410	3.3
93.07044	30.1
95.04972	5.1
96.30888	0.7
103.05467	100.0
104.05807	4.0
105.04509	3.2
105.07018	2.0
107.04955	26.4
108.05244	0.6
111.04442	2.6
121.02868	19.1
121.03975	6.6
121.06508	14.2
122.03186	0.5
131.04904	6.4
132.05310	0.5
136.96452	0.6
149.02342	45.1
149.05974	7.7
149.07062	0.6
150.02676	1.6
150.05550	0.5
150.07744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.01870	1.0
55.05499	4.3
65.03941	25.5
67.05507	11.1
69.07079	6.6
69.23235	3.1
69.23648	2.5
79.05496	22.0
79.05959	2.0
81.07056	35.0
83.08601	2.1
91.05486	8.3
93.03396	8.2
93.07043	32.9
95.04968	3.0
95.08595	6.0
96.44937	1.0
105.04516	1.8
105.07038	2.3
107.04958	9.5
107.08593	27.7
108.04448	1.8
111.04416	6.8
121.02863	42.9
121.03975	15.9
121.10149	9.0
121.23690	1.1
122.03263	1.3
149.02338	100.0
149.07106	1.3
149.09615	5.9
149.13252	26.0
150.02647	5.4
150.03708	1.9
167.03325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0585
Annotation	L-Methionine
Peak:m/z	Relative Intensity
51.25029	0.3
56.05035	100.0
57.03437	0.8
57.05366	0.9
58.99596	0.6
61.01151	59.7
67.05515	1.0
69.79811	0.6
69.80181	0.6
74.02441	6.4
74.06078	7.4
74.06470	0.7
74.99065	0.5
75.02718	0.8
84.04499	3.0
85.01122	0.4
85.02907	3.2
87.02695	13.2
91.02220	0.6
94.06554	1.8
102.05543	19.9
104.05326	70.4
105.00114	1.2
105.03746	1.5
105.05705	0.5
106.06558	0.4
106.10897	0.4
122.06018	1.1
133.03188	45.1
150.05818	8.2
150.07738	14.1
150.08719	0.3
150.08995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01607	0.4
51.02378	1.5
53.00299	0.4
53.03947	3.6
55.01860	0.9
55.05510	1.6
63.98722	0.3
65.03948	3.4
67.05508	19.1
70.43781	0.6
74.87395	0.3
77.03932	8.0
79.05491	3.9
81.03412	0.5
81.07041	1.1
91.05509	0.4
95.04972	40.1
95.08580	0.7
96.05287	0.7
105.03404	6.6
105.04510	6.4
105.07043	0.7
107.04964	4.2
107.08568	0.6
109.06519	0.4
109.10146	0.9
123.04436	6.9
123.11738	0.5
133.02855	2.0
133.03798	0.4
151.03908	100.0
151.11218	0.6
152.04265	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	151.0392
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02378	1.1
53.00308	0.5
53.03947	4.5
55.01871	0.7
65.03956	2.7
67.05505	17.7
69.39161	1.3
69.49633	0.5
77.03931	11.0
79.05494	53.3
80.05804	0.8
81.03416	0.9
81.07054	0.9
83.04994	0.5
93.07014	0.5
95.04971	46.9
96.05304	0.9
105.03409	13.4
105.04507	10.2
105.07018	0.8
107.04948	4.6
107.08602	0.5
107.19257	0.5
108.08128	2.2
123.04440	7.7
133.02841	2.6
133.03827	0.8
134.09666	1.2
151.03906	100.0
151.12312	0.8
152.04237	2.6
167.03371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
55.05518	0.6
62.24348	0.4
65.03927	0.6
66.04732	0.6
67.05509	1.0
70.07397	1.4
76.67157	0.5
77.03950	0.7
78.04728	0.5
79.05501	3.0
80.06273	3.0
81.07054	0.7
90.04705	3.2
91.05489	7.3
93.03418	0.5
93.07053	1.0
95.04971	0.9
95.08604	1.7
105.03398	1.5
105.04527	0.6
105.07039	0.7
106.04191	3.3
107.04961	24.5
108.05752	9.4
109.06516	1.3
109.10160	1.4
115.56483	0.4
117.65584	0.4
118.04160	1.4
135.04433	6.2
136.05203	4.1
144.04222	0.5
151.07550	100.0
151.14932	0.6
152.07880	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03941	3.6
55.05515	100.0
56.05858	1.2
57.03448	0.6
57.07077	1.7
59.05001	2.8
65.03950	0.8
67.05508	15.8
69.03430	1.6
69.07070	2.7
79.05495	7.3
80.06264	0.5
81.03466	0.6
81.07061	31.9
82.07371	0.8
85.06560	0.6
90.04696	0.5
91.05486	7.6
93.07045	7.8
95.04968	11.5
95.08606	5.2
97.06535	16.1
105.03335	0.5
105.04469	0.5
105.07031	7.0
107.04969	5.3
107.08018	0.3
107.08600	13.1
108.05754	1.9
109.06525	11.1
109.10161	26.0
110.07322	1.0
119.06055	0.8
121.10179	1.4
123.08092	2.3
123.11713	12.5
125.09658	0.8
131.08604	0.6
133.10141	6.0
135.04460	1.4
136.05142	0.8
136.08873	0.8
150.78343	0.4
151.07561	19.5
151.11182	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	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02996	0.7
56.05031	1.0
56.96554	0.3
63.00727	0.4
65.60852	0.2
69.56067	0.5
71.61583	0.2
75.81775	0.2
79.05475	0.2
82.04053	0.3
84.08141	0.3
106.04887	0.5
106.06551	0.3
107.03539	0.3
107.04968	0.2
109.05127	1.6
110.03529	10.2
110.06037	0.4
110.97581	0.3
118.42209	0.2
124.07573	0.4
128.04570	3.4
134.04608	0.9
134.06030	1.2
134.38217	0.2
134.39532	0.2
135.03024	19.5
136.01453	0.5
147.05009	0.3
147.93146	0.2
152.05676	100.0
153.04080	22.4
153.05881	1.0
153.10251	0.3
154.02444	0.4
154.04497	0.3
154.23563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.02992	0.4
56.31291	0.2
56.96570	2.4
57.03442	0.3
61.02928	0.2
67.60512	0.2
69.03423	0.4
70.52033	0.3
70.52360	0.3
73.02911	0.4
79.05487	0.5
80.05009	0.2
82.04095	0.3
82.60977	0.2
83.49112	0.2
85.01431	0.3
85.02898	0.7
85.26315	0.2
89.16534	0.2
93.05792	0.3
95.04979	0.2
96.08151	0.3
97.02888	0.6
98.22720	0.3
98.97578	1.8
100.02502	0.3
106.06556	1.0
108.08138	2.0
109.05124	1.4
110.03531	10.5
110.06063	0.4
110.09693	1.8
110.97572	1.8
115.02412	0.3
116.98623	1.1
118.03512	0.3
119.01926	0.6
124.07580	0.5
128.04579	3.3
128.98604	1.7
129.03937	1.2
133.03456	0.3
133.55734	0.2
134.04649	1.0
134.06024	1.8
135.03026	17.6
136.11206	0.4
137.09468	0.3
140.05064	0.3
142.03532	0.4
146.99660	1.0
147.01428	0.3
147.05023	1.6
152.05684	100.0
152.10669	3.9
153.04082	23.4
153.06053	0.9
153.13873	0.9
154.02518	0.5
165.06079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.05507	6.1
57.03444	1.6
57.07049	1.2
59.05000	7.5
67.05507	25.1
68.15983	1.0
69.03423	1.1
69.06712	1.2
69.07069	15.2
69.34732	3.7
71.04996	11.6
79.05496	6.3
81.07059	21.3
83.04981	2.5
83.08626	6.3
87.82151	0.8
91.05481	7.0
93.07046	43.5
95.04959	1.3
95.08607	33.4
97.06532	13.9
105.07046	2.9
107.08597	65.0
109.06516	2.6
109.10158	100.0
110.10480	2.0
111.08110	4.1
111.11702	1.3
115.35923	0.8
131.45859	0.8
135.11694	48.7
136.12035	1.3
148.07104	0.8
153.12744	68.9
154.13019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
55.05501	9.0
57.03439	4.1
67.05507	26.4
69.07066	43.6
69.86100	5.3
70.95859	10.8
71.95267	43.4
79.05494	24.1
81.07064	26.2
83.08598	4.9
88.96896	3.5
91.05472	2.9
93.07043	36.6
95.08601	16.3
97.06512	15.0
98.21043	2.3
107.08595	41.4
109.10153	29.3
111.08095	5.4
111.98514	4.0
122.85094	2.5
126.06354	2.3
135.11691	100.0
136.03954	4.3
136.07681	2.9
153.05510	4.5
153.07480	6.4
153.10226	6.6
153.12747	94.5
154.04933	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.05508	12.7
59.04996	10.9
65.03958	3.1
67.00716	2.1
67.05495	5.2
67.79742	1.8
68.96310	4.5
69.07077	11.1
69.22919	7.0
69.23333	3.4
70.94247	4.6
70.95869	6.2
71.04628	3.5
71.04991	39.8
71.95260	6.2
73.06551	22.9
79.05493	28.7
81.07056	100.0
84.17035	1.8
85.06556	2.2
91.05472	10.2
93.07047	52.0
95.04957	12.1
95.08605	7.9
97.06535	5.7
103.86975	2.0
105.07027	3.9
107.04987	3.0
107.08594	40.4
109.10170	7.9
109.98948	3.2
111.04449	6.0
111.08075	6.0
111.96911	2.3
111.98454	3.4
120.10487	2.0
121.02851	2.6
125.06004	4.7
125.09637	2.5
130.96280	6.0
135.04436	7.8
135.08040	2.1
135.11685	32.0
148.97366	8.2
153.05431	2.7
153.06554	3.9
153.09100	4.2
153.10146	4.2
153.12718	11.4
172.07034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.13166	1.0
55.05513	7.4
57.03445	2.0
57.07066	2.1
59.05000	4.3
65.03926	1.6
67.05507	13.1
69.03416	1.7
69.06722	1.0
69.07071	13.5
69.26020	3.4
69.26415	1.8
71.04987	4.2
77.03929	1.4
79.05496	13.2
81.07059	15.5
83.04984	8.7
83.08617	3.0
91.05466	9.8
93.07050	70.0
95.04972	47.0
95.08612	54.0
97.06532	25.5
105.07037	3.3
107.08598	100.0
108.08965	1.0
108.39396	0.9
109.06509	3.9
109.10161	24.1
109.11334	1.1
110.09724	1.2
111.08077	5.6
119.06001	1.1
119.09798	1.0
125.09669	1.1
135.08095	1.4
135.11702	56.2
153.09067	1.9
153.12749	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03930	2.1
55.01865	2.6
55.05258	2.1
55.05512	30.1
56.97738	1.4
57.03423	1.8
57.07093	1.8
59.04995	5.9
59.05258	1.4
59.98553	1.2
60.64150	1.3
65.03943	5.2
67.05505	10.5
69.03444	3.8
69.07070	11.1
70.70538	2.9
70.94255	2.3
70.95905	2.4
71.04990	22.2
71.95271	3.8
73.06560	13.5
77.58087	1.4
79.05501	25.8
81.07059	68.3
83.04984	32.9
91.05497	10.2
93.03421	2.4
93.07047	29.1
95.04970	100.0
95.08609	6.3
96.05305	1.6
97.06549	7.3
105.07062	2.4
107.04974	7.7
107.08593	32.8
108.08154	2.0
109.06520	11.9
109.10165	4.8
110.02464	1.3
110.03616	1.7
110.09663	2.6
111.04442	5.3
111.08086	15.0
125.06010	3.0
125.09656	3.5
130.96307	2.0
135.04390	2.4
135.08063	5.5
135.11688	18.0
136.03894	1.9
136.07555	1.7
148.97362	3.6
151.30658	1.5
153.05464	3.1
153.06566	2.0
153.09163	7.5
153.12772	16.3
153.13901	2.3
154.05013	1.7
154.08624	19.0
154.09764	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01862	2.3
55.05511	23.0
57.03437	2.0
57.07069	2.7
59.05008	9.7
65.03937	7.2
67.05502	7.4
69.03423	3.2
69.07065	16.1
69.17121	10.1
70.78798	1.6
70.95871	2.8
71.04992	40.2
71.95261	2.5
73.06558	21.2
79.05499	26.3
81.03394	1.7
81.07059	100.0
83.04987	10.0
83.08606	3.0
85.06538	2.6
91.00165	1.4
91.05474	9.5
93.03410	6.7
93.06448	2.4
93.07043	46.2
95.04975	14.3
95.08593	9.8
97.06528	9.6
98.22678	2.9
105.07037	2.3
107.04988	3.2
107.08604	40.4
109.06499	3.6
109.10170	9.2
110.09698	3.4
111.04449	9.3
111.08089	4.3
119.05997	2.1
119.08620	2.3
123.22407	1.5
125.05983	6.2
125.09656	1.6
130.96295	3.0
135.04422	2.1
135.08034	2.7
135.11703	31.8
147.89601	1.7
148.97374	2.1
153.09077	3.0
153.12743	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	155.0337
Annotation	3,4-Dihydroxytropolone
Peak:m/z	Relative Intensity
54.54212	2.4
55.01867	3.6
56.96559	7.6
67.05496	5.8
69.39685	10.9
70.95878	4.8
71.95269	4.0
72.93793	11.6
73.66809	2.6
74.68696	2.5
76.08725	2.6
79.01846	4.5
83.01348	17.9
83.04959	5.3
95.01355	3.8
97.42504	2.5
98.22706	4.6
98.98457	8.8
99.04459	66.8
103.03916	3.4
105.04481	2.7
111.04425	2.4
111.98493	4.2
113.96410	7.8
113.98640	3.1
122.89540	2.5
131.96165	8.0
131.97504	3.9
131.99730	5.9
132.95827	12.1
149.97208	10.7
150.96919	13.4
155.03392	100.0
155.07043	9.6
155.97429	3.3
172.34984	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	155.0331
Annotation	3,4-Dihydroxytropolone
Peak:m/z	Relative Intensity
51.02383	0.8
52.37690	0.8
53.00301	2.3
53.03941	2.5
53.40657	0.8
55.01867	3.2
55.05507	1.4
56.96555	1.8
57.03437	4.2
67.01857	4.1
67.05505	2.1
68.99780	2.2
69.03448	4.2
69.96237	1.5
69.96620	1.8
70.95850	3.9
71.04989	1.9
71.95246	1.5
72.93788	3.8
72.96797	0.9
79.01862	4.2
81.03394	1.2
83.01339	21.2
83.04986	3.9
84.02103	1.4
85.02924	1.2
85.07694	1.0
95.01341	4.1
95.04970	2.1
97.02893	1.8
98.98472	3.4
99.04455	74.5
100.04778	1.1
103.03941	3.1
109.02883	4.2
111.04424	1.2
111.98469	1.4
113.96397	1.2
123.00800	2.0
123.04436	1.1
127.03918	2.8
131.96129	3.7
131.97440	1.2
131.99704	1.5
132.95798	4.2
149.97159	4.7
150.96887	4.2
155.03387	100.0
155.07013	3.4
156.03755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	9.1
55.95282	7.4
56.96559	15.9
63.77781	6.6
63.78912	6.1
66.73875	5.8
67.05492	9.8
69.03434	8.0
69.96180	12.2
70.95865	48.8
71.95253	7.7
72.93789	63.6
80.38920	6.2
82.89040	6.2
83.01335	19.2
83.04976	17.6
83.72756	6.2
86.09717	6.1
88.96903	11.5
90.94823	18.8
98.98478	32.1
99.04457	57.8
110.07168	8.3
111.98473	19.9
113.96406	37.2
113.98782	7.8
129.99464	9.7
131.96143	27.0
131.97421	18.3
131.99695	11.8
132.95827	44.9
149.97182	62.7
150.00752	9.4
150.96889	100.0
154.97774	7.3
155.03406	60.7
155.07069	33.9
155.08150	10.1
155.97476	9.8
156.14003	6.5
172.98674	10.2
173.98547	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	155.1431
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
50.92693	1.0
55.05515	2.7
57.07076	100.0
58.07416	1.3
58.58276	0.7
59.17237	0.9
67.05499	2.9
67.33349	0.8
69.07059	1.5
70.95872	3.0
70.96396	1.2
71.04998	1.3
72.93798	3.9
81.07065	7.6
82.95039	0.8
83.04985	2.2
85.06544	14.6
89.43896	0.8
89.51994	0.8
95.04974	2.1
95.08611	3.8
98.98477	1.4
99.04511	1.0
99.08068	1.7
109.10170	2.4
111.04460	1.0
111.98515	2.7
113.96416	1.3
123.04525	0.8
131.96210	1.1
132.95831	6.4
150.96898	7.4
155.07083	4.0
155.08362	1.0
155.14322	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	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05006	0.9
69.94260	1.9
70.74532	0.7
70.99024	0.7
73.18998	0.7
73.41293	0.7
74.09719	9.6
75.64606	0.6
78.38470	0.6
82.05323	1.9
83.06102	9.8
93.04530	6.0
95.06087	6.5
96.96914	1.6
110.07166	100.0
111.07543	1.2
112.05259	4.2
126.21001	0.6
129.27383	0.7
130.06302	10.5
146.63110	0.7
156.04216	63.5
156.07683	13.9
156.10155	4.7
158.12170	0.6
167.63971	0.6
173.12515	0.9
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	Unknow
Peak:m/z	Relative Intensity
51.07180	0.1
56.05028	0.6
68.05029	0.7
70.77430	0.2
79.74930	0.2
81.04539	0.6
82.05314	2.3
83.06105	9.0
93.04527	6.9
93.05122	0.3
94.02174	0.2
95.05484	0.4
95.06092	7.1
110.07163	100.0
111.05608	0.6
111.06844	0.2
111.07493	1.3
130.21217	0.2
138.06628	0.2
144.15958	0.2
156.07683	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	156.077
Annotation	L-Histidine
Peak:m/z	Relative Intensity
56.05028	1.0
64.19378	0.2
68.05028	0.8
81.04542	0.7
82.05325	2.6
83.06107	9.3
84.06435	0.2
93.04529	6.7
95.06094	7.1
100.55724	0.2
101.00895	0.4
110.07166	100.0
111.05571	0.9
111.06843	0.2
111.07512	0.9
115.11961	0.2
119.01930	0.7
142.03493	0.4
146.19450	0.2
156.07692	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	156.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.4
61.63238	0.2
68.05030	0.7
69.39726	0.4
69.40106	0.4
70.06582	0.4
81.04547	0.5
82.05318	1.9
83.06107	8.7
93.04528	6.0
95.06097	6.8
95.06587	0.2
98.23438	0.4
110.07165	100.0
111.05605	0.5
111.06867	0.2
111.07508	1.2
118.55167	0.2
119.01915	0.5
138.09155	0.3
142.03514	0.4
156.04199	0.7
156.07681	10.7
156.10165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1021
Annotation	Arecoline
Peak:m/z	Relative Intensity
51.51704	0.6
53.03956	1.6
55.05513	16.7
56.05039	1.3
57.03428	0.7
59.04994	0.9
59.51565	0.5
60.04537	2.7
64.24004	0.5
67.05509	2.1
68.05044	0.7
69.03436	1.5
69.07092	0.5
69.48660	2.1
70.06601	2.9
70.95866	10.1
71.04992	9.7
72.93788	6.0
79.05492	13.2
79.05951	0.9
81.05817	0.6
82.02934	1.5
83.04965	1.4
85.06544	67.0
86.06071	12.9
87.04473	1.5
88.96896	1.4
90.94832	1.8
94.06602	0.7
95.04982	1.3
96.08133	6.7
97.06562	2.5
101.06057	1.3
106.06556	30.1
110.06060	0.6
110.07135	1.3
110.09661	0.6
110.96288	0.5
111.98470	5.5
115.96427	0.5
120.97112	0.5
124.07591	100.0
125.07926	1.3
129.99489	2.0
132.95833	15.3
135.17339	0.5
138.09154	1.6
139.07584	0.6
150.96893	17.1
155.97430	1.2
156.10197	32.9
157.07574	1.2
173.98505	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0441
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
51.02374	0.5
53.03948	0.9
55.01868	0.2
56.96559	0.9
57.07077	0.4
63.97855	0.2
69.32997	0.7
74.01521	0.2
77.03918	2.5
82.32373	0.2
86.13889	0.2
87.96648	0.2
90.26030	0.2
95.04961	4.7
98.22698	0.5
98.97586	4.7
99.97926	0.4
102.04657	1.0
103.05465	100.0
104.05804	2.2
105.03404	2.8
105.04495	2.3
115.05385	0.3
116.98609	2.9
117.98966	0.3
131.04922	94.3
132.05246	2.5
134.99641	1.0
159.04407	42.2
160.04730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
56.96568	3.2
57.67411	0.6
60.91235	0.5
69.42825	0.9
69.43239	1.5
70.06576	0.6
70.35888	0.5
72.08157	0.6
81.03428	1.0
91.32413	0.5
92.04999	0.5
98.97588	19.1
99.97937	1.8
103.05476	3.1
105.07042	1.3
115.04644	0.8
115.05457	15.0
116.04979	1.2
116.12583	0.5
116.98630	9.4
117.05756	12.9
117.99008	0.5
118.06588	2.6
128.84943	0.4
130.06529	23.2
131.04947	3.0
131.06828	1.1
132.08090	98.0
133.08441	2.2
134.99666	2.6
140.04938	0.9
142.06519	26.8
143.07295	1.1
158.08362	1.4
159.04449	1.2
159.09174	100.0
160.07579	14.5
160.09555	1.5
163.60985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1017
Annotation	3-Oxovalproic acid
Peak:m/z	Relative Intensity
55.05505	1.8
56.96564	5.1
57.03439	47.7
57.07078	100.0
61.02921	3.4
67.05505	1.9
70.73869	1.2
81.07055	1.8
85.02907	2.9
85.06546	58.5
87.00824	1.8
87.04455	2.0
91.05474	2.0
95.08606	5.9
98.97585	37.8
99.97933	5.0
103.05515	1.0
103.07584	27.1
105.06997	1.3
113.07961	1.5
113.09684	1.1
116.98619	22.7
117.01848	1.6
117.98946	2.5
118.96790	1.2
123.08094	1.5
131.04973	1.9
131.08597	4.3
134.99632	10.5
144.09311	1.4
159.04364	1.1
159.08060	3.9
159.09261	1.4
159.10202	36.3
159.11676	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.78084	0.4
53.84921	0.4
56.96574	0.9
60.11715	0.5
65.03942	0.7
67.05508	2.6
70.06612	0.8
72.04533	0.4
76.15402	0.4
79.05482	1.2
81.07057	0.8
91.05479	14.8
93.07053	0.9
98.97582	4.5
99.97897	0.6
103.05479	0.5
105.07030	19.9
108.84527	0.4
109.53386	0.4
112.63503	0.5
115.05440	4.2
116.06261	2.0
116.98622	3.1
117.07021	31.3
118.07289	0.5
118.96764	0.7
119.08590	8.6
128.06195	1.2
129.07005	16.2
130.07794	18.2
130.46185	0.5
131.08566	77.1
131.54747	0.4
132.08890	2.0
134.99661	1.7
140.00148	0.6
142.07771	1.8
143.08537	1.2
144.09337	18.8
154.96591	0.5
157.10167	3.2
159.11693	100.0
160.12070	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	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.71260	0.4
56.05022	0.5
56.96557	1.6
57.03427	0.4
57.04565	5.0
59.93108	0.5
60.43285	0.4
66.32345	0.3
68.05022	2.1
69.03430	1.4
69.63203	1.2
70.06591	0.9
71.05004	0.3
72.08157	27.6
74.02444	27.6
74.07198	2.7
81.03400	0.4
82.01424	0.5
82.99834	3.3
84.04507	1.7
84.08140	3.2
86.06073	8.4
87.04469	11.7
89.10795	0.8
96.04496	17.6
97.02892	1.6
97.04848	0.3
97.07641	0.6
98.09724	0.4
98.22701	0.4
98.97585	4.1
99.97919	3.0
100.02482	3.9
100.97190	2.8
100.97997	1.5
101.00880	34.8
101.06024	0.9
102.00961	0.9
104.07108	6.7
108.37241	0.3
111.00437	0.3
114.05527	10.5
114.09164	1.4
116.98627	3.8
117.98961	1.6
118.03517	8.3
118.96778	2.8
118.98220	1.4
118.99084	1.4
119.01920	100.0
120.01958	2.1
124.02448	5.9
125.07114	2.9
126.12790	3.8
130.08641	0.6
132.06572	3.3
134.99681	1.5
135.99998	0.8
136.04568	3.7
136.99251	0.8
137.00166	0.8
137.02959	26.9
138.03052	0.4
142.03502	59.6
142.12317	0.4
143.03581	2.7
144.06541	0.7
144.10226	0.4
154.96461	1.0
160.04565	56.7
160.06001	2.4
160.09692	1.8
160.10820	18.6
160.12190	0.7
160.18100	2.0
161.02992	2.7
161.04745	2.3
165.05141	0.8
177.98073	0.4
178.05609	15.5
179.04013	3.8
179.05501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27106	0.4
53.61297	0.3
56.96580	0.6
73.50513	0.4
82.01444	1.0
82.99842	6.4
84.08136	1.1
98.97582	2.9
99.37894	0.3
99.97919	1.8
100.02484	4.3
100.97179	1.7
100.98010	1.1
101.00883	52.4
102.00994	0.8
107.05278	0.3
111.00455	0.5
115.97044	0.5
116.98629	1.2
117.98964	0.8
118.03526	6.9
118.98221	0.9
119.01921	100.0
120.02068	1.5
124.02457	9.4
124.03336	0.8
124.97518	0.6
127.47912	0.6
133.98090	1.5
136.04562	2.8
136.48401	2.0
137.02959	20.1
137.48215	0.4
138.03065	0.4
142.03500	67.3
143.03607	2.7
145.48895	3.2
145.98958	1.0
147.99097	0.5
150.09222	0.3
154.49413	1.1
160.04559	56.0
161.02953	3.2
161.04695	1.7
165.05103	0.5
178.05615	11.7
179.04048	4.0
179.05531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31667	0.2
65.31015	0.2
70.66186	0.3
72.08154	0.4
80.20425	0.2
82.01421	0.2
82.99844	3.0
84.07670	0.4
84.08148	4.9
97.83484	0.2
98.09724	0.4
98.97579	0.7
100.02502	0.5
100.97169	0.2
101.00882	35.4
101.97185	0.3
102.00946	2.9
102.96877	0.4
103.00624	0.3
106.39868	0.2
107.05277	0.3
111.00430	0.3
112.27808	0.2
115.97059	0.2
116.98638	0.6
117.80139	0.2
119.01923	100.0
119.59810	0.2
120.01997	5.1
120.03241	0.2
120.97939	0.3
121.01640	0.6
121.02369	0.5
123.55519	0.2
124.02470	0.3
124.97569	0.4
125.02563	0.7
128.99525	0.2
130.08624	1.1
131.01970	0.2
133.98087	0.8
134.99699	0.2
136.48349	0.9
137.02960	21.4
137.48308	0.3
138.03020	0.9
140.00235	0.2
142.03503	1.3
143.01851	0.4
143.03650	5.0
144.03226	1.0
145.48901	0.7
146.48737	0.4
149.00801	0.5
160.04578	0.4
161.01605	0.4
161.02960	7.0
161.04659	4.9
161.12851	0.3
162.04308	0.6
179.02429	0.3
179.04033	6.8
179.05675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	0.2
61.62650	0.1
65.61097	0.2
68.16631	0.2
69.47214	0.3
69.47601	0.4
82.99837	3.1
83.99916	0.3
98.97571	0.5
101.00881	34.4
101.95000	0.2
102.00941	2.8
102.96859	0.3
103.00626	0.4
116.98631	0.2
119.01921	100.0
120.01997	5.9
120.02972	0.2
120.03217	0.2
121.01646	0.7
121.02435	0.3
122.39553	0.2
124.02483	0.3
125.02587	0.7
137.02957	24.0
138.03058	1.2
142.03477	1.2
143.03624	5.5
144.03214	0.8
156.00870	0.2
160.04524	0.2
161.01598	0.3
161.02962	6.5
161.04665	5.1
162.04324	0.6
176.04204	0.2
179.04028	7.3
179.05685	1.3
180.05351	0.2
184.04405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	N-Methyl-L-glutamate
Peak:m/z	Relative Intensity
53.01408	0.1
53.03942	0.3
55.05511	5.4
56.05027	0.2
57.03426	0.2
60.08163	1.8
69.03442	0.2
70.06593	10.5
71.05000	0.6
71.98903	0.1
72.04517	0.2
72.08157	0.5
73.06560	1.0
74.02437	1.1
81.03404	0.5
81.07050	0.2
83.08588	0.2
84.04501	1.0
84.08141	1.4
85.02900	1.0
85.04829	0.1
85.06568	0.2
85.08462	0.1
90.05571	0.7
98.06053	100.0
99.04450	2.0
99.06377	0.9
102.05521	0.2
102.09173	3.0
103.03939	2.2
112.08725	0.1
116.07090	9.0
126.09150	0.4
144.06554	19.2
144.10179	0.4
145.04970	0.4
145.06932	0.3
162.07611	2.7
162.11250	7.0
163.11551	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	162.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05513	2.1
56.05012	0.3
56.29090	0.3
64.86062	0.3
65.03930	0.5
67.05505	17.3
68.05028	0.7
69.03394	0.4
70.06609	0.7
72.04519	0.4
74.06077	1.5
77.10478	0.3
79.05482	0.9
80.05019	36.8
82.06590	0.4
84.04501	0.5
84.08137	0.4
86.06054	0.5
88.03994	1.0
90.63568	0.3
91.05487	0.7
93.07047	4.7
94.06568	2.1
95.04967	0.5
95.08607	35.1
96.08954	0.4
97.02882	0.9
98.06064	3.4
100.03999	0.3
102.96873	0.7
103.05509	0.5
105.03418	0.9
106.06554	8.8
107.07343	0.6
116.07091	0.9
117.05671	0.7
118.06503	0.5
119.07281	0.9
120.08105	19.7
120.96494	0.4
120.97920	0.8
130.06532	1.8
131.04935	0.5
132.08093	2.5
133.02882	0.3
133.08890	1.7
134.08110	1.1
134.09677	2.2
135.04507	0.3
144.06613	1.6
147.10513	0.4
160.11252	0.6
160.51907	0.3
162.03380	0.3
162.05446	0.8
162.07629	1.4
162.12779	100.0
163.03905	1.0
163.12210	1.1
163.13199	1.5
176.39532	0.3
180.04469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
61.04935	0.6
63.02388	1.3
66.95050	0.7
69.34763	3.2
77.03929	2.8
79.05502	9.4
89.03920	65.0
90.04277	1.5
95.04971	3.1
98.22768	1.2
103.05459	1.5
105.04498	1.3
107.04952	13.5
117.03380	59.6
118.03719	1.0
131.04945	0.9
132.08090	0.7
135.04414	100.0
136.04749	2.1
145.02847	48.3
145.03835	2.0
145.07628	0.6
146.03151	1.2
158.06229	0.7
163.03903	97.8
163.12321	1.0
164.04251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95229	0.8
53.03936	1.2
63.02381	2.0
69.83859	2.7
72.42551	0.8
77.03934	1.6
79.05495	8.2
80.69663	0.7
89.03922	64.8
92.06615	1.0
95.05009	2.0
97.76827	0.8
98.23431	1.1
103.05479	1.2
105.04517	1.2
107.04951	15.7
117.03384	63.6
131.04918	2.5
135.04419	100.0
136.04732	1.2
145.02858	52.0
146.03172	1.1
163.03909	98.3
164.04247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
50.40344	0.5
53.03949	1.1
55.05512	7.2
57.03442	0.9
57.07076	5.3
65.03918	1.1
67.05527	2.8
69.03436	1.9
69.07072	52.5
71.08656	0.8
71.17103	0.7
74.15482	0.5
77.03925	1.2
79.05499	14.5
80.05057	0.7
81.07060	7.2
83.08623	9.1
84.08163	0.5
85.02914	3.0
89.03921	2.1
89.06062	0.9
91.05481	14.5
91.06051	0.8
93.07049	31.1
95.04964	2.3
95.08610	10.6
97.02915	0.9
103.05466	2.0
105.03416	0.8
105.04527	1.2
105.07034	12.6
106.06551	1.9
107.04972	2.0
107.08599	100.0
108.09454	1.0
109.06516	3.0
109.10128	1.5
109.24740	0.6
112.56990	0.5
117.03406	3.5
117.05753	1.5
117.07036	1.3
119.04953	0.5
119.06084	2.8
119.07721	0.8
119.08562	5.9
120.08113	0.7
120.09356	1.0
121.06452	0.7
121.10151	54.0
122.10446	0.6
123.08051	1.5
130.06531	4.4
131.04936	2.3
132.08083	5.8
133.02963	0.6
133.07596	0.6
133.10130	2.0
134.10880	1.0
135.04424	6.0
135.11699	23.2
136.07593	1.0
145.02827	2.5
145.10118	2.4
148.12506	0.7
163.03923	13.6
163.05003	0.5
163.07533	1.5
163.08774	0.6
163.11137	1.8
163.12350	5.6
163.14824	50.1
164.15100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
50.23902	0.5
53.03953	1.0
55.05515	7.7
55.52843	0.6
57.03436	2.1
57.07076	5.1
61.02925	0.7
65.03942	0.6
67.05505	2.0
69.03437	2.6
69.07071	30.5
77.03938	1.7
79.05492	12.2
81.07059	7.3
83.08622	8.9
84.08154	0.9
85.02905	1.9
85.06538	0.8
89.03937	3.0
89.06040	0.7
91.05479	14.6
93.07044	36.4
94.07378	0.6
95.04948	2.7
95.08607	9.0
103.05489	3.3
105.03411	0.7
105.04523	0.9
105.07029	17.8
106.06573	1.3
107.04943	1.5
107.08594	100.0
108.08841	0.7
108.09456	0.9
109.06537	2.7
109.10152	1.1
117.03371	2.8
117.05794	0.9
117.07021	1.8
119.06086	2.0
119.08578	8.3
120.09382	0.8
121.06525	0.9
121.10142	61.3
122.10423	0.8
123.08094	1.6
130.06529	4.7
130.07758	2.3
131.04933	3.3
132.08081	4.9
133.02834	0.6
133.07594	1.2
133.10109	1.4
134.10927	0.6
134.64557	0.5
134.76857	0.6
135.04425	5.5
135.08066	1.1
135.11690	51.8
136.12027	0.7
145.02835	2.8
145.10132	9.6
148.12456	0.6
163.03915	9.9
163.07538	1.9
163.11171	8.8
163.12352	3.8
163.14816	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	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93652	0.4
61.62165	0.6
70.67065	0.9
82.01419	0.8
82.99843	7.1
85.98604	0.5
88.11404	0.5
100.02480	1.1
101.00883	57.8
102.00962	1.9
119.01920	100.0
120.02011	2.3
120.08096	1.9
123.04423	0.9
124.02444	11.0
137.02959	14.0
138.03166	0.5
140.33551	0.4
142.03502	87.5
143.03662	1.7
160.04561	14.8
165.05110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64661	0.4
70.51736	0.9
75.77028	0.4
82.01418	0.8
82.99848	7.5
89.98096	0.4
100.02484	1.4
101.00887	60.2
102.00980	1.1
111.00393	0.6
119.01927	100.0
120.02003	2.5
124.02460	14.6
125.02554	0.6
137.02966	15.1
137.47142	0.4
142.03508	96.7
143.03629	3.0
160.04568	16.2
161.04639	0.7
165.05110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
51.02389	1.0
53.03954	3.5
55.01868	0.9
57.11053	0.3
65.03943	1.1
65.78387	0.3
66.04723	3.9
67.05489	0.5
69.90672	0.3
77.03930	7.0
78.04719	0.7
79.05494	14.6
79.68703	0.3
81.03417	0.5
81.07056	4.7
82.99792	0.3
91.05483	7.4
93.07042	0.9
94.04186	6.8
95.04974	11.3
95.08604	0.3
101.00877	5.5
102.83499	0.4
105.03403	9.8
105.04497	5.5
105.07001	0.8
106.04191	0.4
107.04961	1.7
109.06525	9.8
119.01923	11.7
119.02773	0.7
121.02864	2.0
121.06489	0.6
122.03647	7.0
123.04431	0.9
124.02464	1.1
133.02855	9.5
133.03886	0.6
135.04427	4.9
137.02998	2.3
137.05978	15.4
137.09659	0.5
138.06306	0.4
142.03497	11.1
143.03693	0.4
147.04443	1.5
160.04556	2.0
165.05478	100.0
166.05815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
52.41434	0.4
53.03943	0.7
65.03919	0.5
68.22034	0.4
71.21281	0.6
72.08135	0.5
77.03925	3.1
80.94948	0.4
82.01468	0.7
82.99837	5.4
87.20743	0.5
91.05482	15.8
93.07029	1.4
95.04970	61.8
100.02491	0.8
101.00883	46.6
102.00947	1.1
103.05463	4.2
105.04528	3.0
109.06510	2.3
119.01923	79.0
119.04939	45.1
119.05842	0.9
120.02022	1.9
121.02377	0.5
121.06483	2.2
121.97576	0.6
123.04430	100.0
124.02444	8.6
124.04762	1.8
137.02963	13.2
137.05948	1.2
142.03502	72.9
143.03635	1.3
147.04405	16.4
160.04556	14.1
165.05449	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	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03141	0.3
53.03955	0.5
55.01868	0.4
55.05515	1.9
65.03932	0.3
66.04721	0.6
66.69123	0.3
67.05509	0.8
69.03427	5.1
69.07066	0.4
69.10836	2.4
70.06575	0.5
77.03924	0.7
78.04714	11.6
79.05492	4.0
81.03403	0.4
81.07055	1.2
83.04981	1.2
83.08620	3.2
84.96036	1.0
89.10216	0.3
91.05482	1.3
93.07058	1.7
94.04207	0.5
95.04978	2.7
95.08591	0.5
96.05752	1.1
97.02872	0.5
97.06557	0.5
103.00668	1.1
103.05453	0.3
105.03391	1.0
105.07054	0.9
106.04179	5.9
107.04947	1.4
107.08609	1.7
109.02856	0.5
109.06529	0.6
111.08102	0.6
112.90586	0.3
120.02070	0.4
121.01669	3.6
121.06506	0.6
121.08432	1.1
121.10140	1.8
122.03664	3.1
123.04435	21.8
124.04415	0.5
124.05231	7.1
125.09599	0.3
134.03647	1.7
135.04413	0.8
137.05983	0.9
139.02696	0.5
139.07536	0.9
142.01785	0.4
144.03253	3.1
149.09601	1.8
151.03934	4.3
151.88556	0.4
152.04688	4.8
162.04272	0.6
167.07042	100.0
167.14308	0.9
168.04205	0.3
168.07394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02369	0.5
53.03939	0.5
55.05065	0.3
57.34354	0.3
66.04720	0.7
67.05499	0.7
69.03429	0.4
69.67699	0.9
70.06580	2.1
77.03921	0.5
78.04710	11.6
79.05485	3.1
81.03420	0.5
81.07067	0.6
83.04984	0.4
84.96027	0.7
85.02898	0.5
91.05455	0.6
93.07083	0.4
94.04218	0.4
94.06552	0.6
95.04962	2.0
96.05741	0.9
103.00617	2.1
105.03387	1.0
105.04517	0.6
105.07018	0.3
106.04163	5.3
107.04950	1.1
107.08599	0.3
109.02872	0.7
109.06480	0.7
120.02023	0.4
121.01661	5.5
121.06447	0.3
121.08457	0.7
122.03638	2.6
122.06033	5.1
123.04427	23.1
124.05222	6.2
134.03639	2.1
135.04399	0.8
137.05974	1.0
139.02702	0.9
144.03218	5.1
149.02316	0.4
150.09143	6.3
151.03894	4.1
152.04677	5.3
162.04308	1.1
167.07031	100.0
168.04237	0.6
168.07379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.57396	0.4
53.03946	0.4
55.01847	0.6
55.05504	0.6
66.04723	0.4
69.07074	0.5
69.86337	1.2
70.06585	0.7
73.02914	0.5
77.03938	0.7
78.04713	11.3
79.05497	3.2
81.07059	1.3
83.04996	0.9
84.96048	0.4
91.05473	1.4
93.07046	1.1
93.16051	0.4
94.04185	0.6
95.04962	1.6
96.05744	1.1
97.06545	0.5
97.10211	0.4
103.00629	1.1
105.03387	1.3
105.04502	0.9
106.04179	6.3
107.04970	1.0
107.08584	0.6
109.02826	0.5
109.10189	0.5
111.08050	0.4
120.02026	0.4
121.01717	2.3
121.02878	4.3
121.06486	1.0
122.03650	1.7
123.04434	20.7
124.05229	5.9
125.02942	0.4
134.03621	2.0
135.04366	0.8
137.05988	0.7
139.02664	0.6
144.03255	1.8
149.06041	1.2
151.03918	3.6
152.04710	3.5
157.77982	0.4
167.07039	100.0
168.07376	2.3
173.12000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
53.03935	0.5
55.05518	0.8
56.98083	0.3
65.03940	0.4
66.04710	0.3
67.04043	0.3
69.03419	1.1
77.03915	0.5
78.04715	11.2
79.05505	2.5
79.97930	0.4
81.03393	0.4
81.07066	0.9
83.04981	0.8
83.08583	0.4
84.96047	1.0
85.02924	0.6
91.05472	0.6
91.54753	0.4
93.07032	1.1
94.04179	0.8
95.04971	2.3
95.08601	0.4
96.05725	0.9
97.06547	0.7
98.22685	1.2
103.00636	1.2
105.03394	1.3
106.04179	6.5
107.04949	1.5
107.08554	0.8
109.02838	0.5
109.06538	0.5
111.08127	0.5
120.02116	0.6
121.01670	2.4
121.02851	1.3
121.10114	0.9
122.03662	2.4
123.04437	21.5
124.05235	6.1
134.03609	1.6
135.04405	0.7
137.05960	1.1
139.02740	0.4
144.03209	2.5
149.02330	0.4
149.05971	0.4
150.03174	0.5
151.03903	4.0
152.04681	5.6
162.04355	0.5
167.07042	100.0
168.04213	0.5
168.07411	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03933	0.5
53.83004	0.3
55.01860	0.4
61.79384	0.2
65.03918	0.4
65.70087	0.3
66.04715	0.5
67.05481	0.8
69.03436	0.4
70.06586	1.0
70.29050	0.3
70.29369	0.4
71.04977	0.4
74.27304	0.3
76.87766	0.3
77.03920	0.7
78.04711	12.7
78.71874	0.2
79.05074	0.5
79.05486	2.6
80.05832	0.3
81.03399	0.7
81.07043	1.1
82.34544	0.3
83.04958	0.3
84.96042	0.6
85.02904	0.4
91.05470	0.8
93.03384	0.4
93.07034	1.1
94.04179	0.7
95.04974	2.2
96.05730	0.6
97.06516	0.4
103.00630	1.1
105.03367	0.8
105.04507	0.7
106.04166	6.5
107.04929	1.4
107.08572	0.8
109.06532	1.7
111.08032	0.4
118.51744	0.3
120.02087	0.4
121.01672	3.7
121.02914	2.4
121.03729	0.4
121.06472	1.0
121.08424	0.5
121.10150	0.8
122.03642	2.6
123.04427	21.8
124.05229	5.4
126.02185	0.3
131.08566	0.3
134.03639	1.9
135.04433	0.8
137.05963	0.9
138.03180	0.5
139.02696	0.9
139.07538	0.5
141.18883	0.3
144.03218	2.7
149.05981	0.7
149.09564	0.4
151.03903	4.1
152.04668	4.3
162.04341	0.6
167.07030	100.0
168.04185	0.5
168.07405	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.05125	0.3
52.99341	0.3
53.03945	0.3
55.01866	0.8
58.95688	0.3
65.03915	0.5
66.04715	0.8
67.05498	1.2
69.03426	0.3
70.06546	0.3
77.03928	0.7
78.04714	14.4
79.05482	2.5
79.50954	0.3
81.07059	1.1
83.04991	0.4
84.96011	1.4
91.05486	0.6
93.03355	0.3
93.07030	0.7
94.04178	0.8
95.04967	2.4
96.05750	0.8
103.00609	1.4
105.03395	1.0
105.04506	0.5
106.04175	7.2
107.04982	1.5
107.08580	0.6
109.02863	0.8
109.06524	0.9
111.04424	0.3
111.08106	0.4
120.02089	0.4
121.01677	4.6
121.02858	0.8
121.06515	1.1
121.08453	0.6
121.10188	0.4
122.03650	2.1
123.04431	29.9
124.05225	8.3
134.03648	2.0
135.04396	1.0
137.02364	0.4
137.05954	0.5
138.03094	0.4
139.02699	1.2
139.07523	0.8
144.03246	3.7
149.02341	0.4
149.05972	1.0
151.03903	5.0
152.04686	6.3
162.04297	1.2
167.07039	100.0
168.07414	2.2
169.34407	0.3
185.04715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	3.5
55.01867	2.4
55.05512	89.0
56.05841	0.9
57.03426	3.0
57.07079	4.5
59.05000	9.4
67.05502	12.4
68.42065	0.8
69.03430	21.9
69.07073	9.5
71.04982	2.4
71.06648	0.9
73.06560	1.2
77.14723	0.8
78.04688	0.9
79.05482	3.2
81.07055	16.0
83.04982	100.0
83.08619	38.5
84.05285	0.9
85.06538	10.6
91.05470	1.9
93.07047	7.8
95.04983	1.2
95.08608	8.3
97.06522	4.9
97.10172	11.6
99.08089	3.2
105.07064	1.0
107.08587	10.4
109.10152	21.6
111.08080	26.4
112.08870	7.9
113.09643	4.1
121.10147	10.1
123.04450	1.5
123.11716	10.6
125.09632	12.1
139.11168	1.1
144.03191	0.9
146.09912	0.8
149.13225	6.1
167.07034	9.4
167.14316	54.0
171.01001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03938	2.8
55.01862	2.2
55.05513	89.4
56.05839	0.8
57.03424	2.5
57.07063	3.6
59.05001	12.1
67.05505	16.7
69.03429	22.9
69.07067	11.0
69.38435	3.8
70.06595	18.2
71.05000	4.4
78.04692	1.8
79.05500	7.5
80.94898	0.9
81.03413	1.9
81.07055	16.4
83.04982	100.0
83.08619	48.6
84.96010	1.7
85.06547	10.3
91.05485	3.7
93.07047	9.9
95.04952	2.5
95.08604	9.8
97.06535	4.4
97.10174	16.7
99.08093	3.0
99.45402	0.8
103.00610	2.3
105.07057	2.5
107.04942	2.2
107.08596	17.2
109.06497	1.2
109.10156	28.3
111.08083	33.2
112.08872	9.8
113.09633	4.8
121.01693	5.4
121.06481	1.3
121.08402	1.1
121.10146	12.7
123.04404	4.0
123.08031	0.9
123.11709	11.8
124.05281	1.1
125.09630	14.1
132.12128	0.8
135.04472	0.8
139.02682	1.3
139.11168	1.3
144.03215	3.8
149.13231	6.1
167.07027	15.6
167.08270	0.9
167.14323	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01860	2.8
55.05513	99.2
56.05831	1.4
57.03431	3.2
57.07065	3.5
58.06613	1.0
59.05008	12.9
65.03927	0.9
67.05504	18.1
69.03430	24.0
69.07063	11.1
70.06595	13.7
70.10002	1.0
71.04986	3.6
73.06553	0.9
78.04716	2.8
79.05499	8.5
81.03402	7.1
81.05439	1.2
81.07059	16.4
83.04984	100.0
83.08624	47.2
84.05309	1.0
84.96017	1.6
85.06548	11.6
85.78712	1.1
87.58195	0.9
91.05478	7.0
93.07043	11.9
95.04950	2.8
95.08611	10.9
97.06538	5.6
97.10176	15.4
99.08092	3.2
103.00640	3.9
105.07035	3.1
106.04167	1.4
106.32352	0.9
107.04934	2.6
107.07908	1.5
107.08589	14.7
109.06505	2.0
109.10160	25.7
110.10503	0.9
111.08089	34.8
112.08874	9.6
113.09636	4.4
121.01665	8.2
121.06495	1.5
121.10155	13.3
123.04424	5.9
123.08089	1.4
123.11705	11.2
124.05192	1.3
125.09616	13.8
131.08569	1.3
139.02715	1.7
139.07529	1.6
139.11154	1.5
144.03192	6.4
149.09644	1.5
149.13263	9.6
150.09135	1.1
152.04655	1.5
162.04315	1.7
163.91356	0.9
167.07048	27.2
167.08275	1.0
167.10669	2.3
167.14317	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.102
Annotation	Metaraminol
Peak:m/z	Relative Intensity
53.54866	0.7
55.01878	4.2
55.05502	2.9
56.05034	5.7
62.69578	0.7
67.05506	11.8
67.92506	1.8
69.03419	2.9
70.06586	9.8
70.85367	1.4
79.05492	10.5
80.05024	1.5
81.07065	4.5
82.94862	3.7
85.94656	0.7
91.05460	1.9
91.61386	0.8
93.07051	4.8
94.06570	37.3
95.04962	3.9
95.08024	1.8
95.08610	27.8
97.06550	1.3
103.05486	1.8
105.07032	16.0
107.05004	0.9
107.07350	1.7
107.08612	1.4
111.08105	1.4
115.05468	1.0
117.05766	2.6
120.08112	1.0
122.06018	7.1
122.09669	52.1
123.04426	16.7
123.08066	8.7
123.97419	1.9
125.06012	1.6
126.05540	1.0
132.08098	20.4
133.06488	12.2
139.07518	0.9
140.07068	0.9
144.94820	1.0
150.05531	2.1
150.09145	100.0
151.07553	28.8
151.09499	1.8
152.03391	1.2
152.07069	2.3
162.95889	1.8
163.97710	1.1
168.07411	3.3
168.10211	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	168.1021
Annotation	Norpandamarilactonine A
Peak:m/z	Relative Intensity
55.01892	0.2
55.05513	0.3
56.05030	0.2
56.96566	1.3
67.05505	0.8
68.15783	0.2
69.03429	0.2
69.19128	0.2
70.06594	100.0
70.21257	0.5
70.28261	0.2
71.06925	0.7
79.05495	0.6
80.05051	0.3
89.06082	0.2
89.13095	0.2
94.06568	4.1
95.04932	0.2
95.08596	0.7
97.02861	0.4
97.07669	0.4
98.97609	0.4
100.02481	0.3
103.00658	0.7
103.01298	0.2
104.00966	0.3
105.07072	0.3
106.06511	0.5
107.07343	0.3
109.02886	0.2
110.06026	0.3
119.01910	0.3
120.08124	0.3
121.01662	1.9
122.02035	0.6
122.06041	2.2
122.09660	4.3
123.04420	0.8
137.02342	0.2
139.02715	0.3
140.07079	0.2
140.10797	0.3
144.03207	0.6
145.03517	3.2
146.03062	0.2
150.05508	17.4
150.09145	12.9
151.05821	0.4
151.07565	0.3
151.09526	0.3
152.07056	0.4
155.41013	0.2
162.99103	0.3
163.04565	1.4
164.10947	0.2
168.05052	1.0
168.06537	0.9
168.10205	37.3
168.13684	1.0
180.86655	0.2
186.06102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.102
Annotation	Metaraminol
Peak:m/z	Relative Intensity
55.01875	3.7
55.05515	2.1
56.05034	5.3
67.05502	11.2
69.03422	0.9
69.86652	1.0
69.86971	1.8
70.06601	1.6
79.05489	8.3
80.05046	1.3
81.07061	4.4
82.94846	0.8
91.05476	1.1
93.07052	3.4
94.06570	33.1
95.04974	3.5
95.08605	30.0
97.06538	1.0
98.23328	1.0
99.94694	0.7
103.05492	1.9
105.07033	15.7
107.07370	2.1
109.06538	0.9
115.05445	0.9
117.05772	1.9
121.06536	1.0
122.06029	4.1
122.09667	50.3
123.04424	19.6
123.05272	1.3
123.08067	10.0
132.08081	22.8
133.06491	14.0
150.09142	100.0
151.07549	30.4
151.09473	1.7
168.07404	2.5
168.10196	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1022
Annotation	Norpandamarilactonine A
Peak:m/z	Relative Intensity
56.96560	1.4
60.04515	0.2
65.77723	0.2
66.57337	0.2
67.05516	1.1
67.92521	0.2
68.05022	0.5
69.98203	0.7
70.06592	100.0
71.06910	0.6
73.16820	0.2
76.09470	0.2
79.05491	0.3
82.01465	0.4
82.94859	0.4
84.96045	0.3
91.73447	0.2
92.53379	0.2
94.06570	3.8
95.08617	0.8
95.99649	0.2
97.02858	0.2
97.07667	0.5
98.22639	0.2
98.97594	0.8
100.02473	0.5
101.00901	0.4
103.00650	0.9
104.00968	0.4
105.07015	0.3
106.06561	1.1
111.87307	0.2
116.98633	0.3
117.00269	0.3
119.01895	0.9
120.57832	0.2
121.01672	1.6
122.02065	0.7
122.06026	2.7
122.09673	2.7
123.04415	0.5
123.97443	0.3
127.00720	0.3
127.02408	0.4
132.08067	0.4
139.02768	0.3
144.03247	0.8
144.94730	0.2
145.03497	4.1
146.03009	0.3
150.05502	21.0
150.09140	6.2
151.05875	0.4
152.07034	0.3
163.02768	0.4
163.04547	1.5
168.05064	1.7
168.06580	1.2
168.10196	33.7
168.13872	0.7
169.10558	0.5
186.06067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	DHMAL
Peak:m/z	Relative Intensity
55.01878	7.3
55.05503	3.6
56.96559	1.9
61.01218	1.0
65.03941	53.6
66.79154	0.8
67.05502	2.7
67.93559	1.3
70.06585	2.3
71.04979	1.2
72.08153	1.5
79.05487	4.4
81.03403	1.6
81.07056	24.0
83.08623	4.7
84.04507	1.2
85.06506	1.3
85.94603	3.9
91.85942	1.0
93.03403	31.5
93.07038	3.1
95.04961	2.8
95.08608	3.1
97.06516	1.4
98.09695	14.6
99.04441	1.1
103.95623	2.8
105.07043	1.1
107.08594	2.8
108.08121	2.4
109.02905	2.1
109.06541	1.5
109.10139	1.2
110.03664	12.1
111.04443	100.0
111.08063	1.4
112.04763	1.3
116.78952	0.9
117.93543	1.0
123.04489	1.1
123.08074	1.2
123.11727	1.7
124.07586	1.9
125.05994	36.9
125.06918	1.8
126.09158	19.3
128.95088	1.1
131.95094	1.4
133.10147	1.0
134.06015	6.4
141.05493	1.4
145.96664	2.3
151.03922	16.4
151.05025	2.3
151.08643	3.5
152.03448	0.9
152.07065	12.8
163.97711	6.2
169.04958	12.5
169.07579	3.6
169.09727	43.6
170.11565	1.1
181.60410	0.9
181.98801	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	169.0498
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01867	0.5
55.05505	0.5
58.98714	0.4
63.10265	0.4
68.99780	2.8
69.57390	1.2
69.57779	1.0
70.06595	14.4
70.20189	0.4
71.06925	1.2
80.02637	0.7
81.03410	0.6
81.07047	0.5
85.02879	0.6
87.21703	0.4
89.93034	0.4
93.39744	0.4
97.02899	1.0
98.03659	3.2
109.02877	1.6
111.00807	22.3
126.03138	32.8
141.05464	100.0
142.05843	1.4
168.13966	0.5
169.04965	58.3
170.05244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50296	0.3
53.43463	0.3
56.96545	0.4
57.34531	0.3
69.73796	1.0
72.04535	0.3
78.52505	0.2
89.07199	0.4
92.04992	0.3
93.05806	0.4
96.06893	0.3
110.07154	0.8
115.05455	34.1
116.05009	0.6
116.05797	0.6
124.07615	0.7
124.08698	0.5
140.04974	0.3
141.05779	0.3
142.06522	25.3
143.06935	0.4
152.07086	0.5
160.07593	1.4
170.06006	100.0
171.05292	0.4
171.06325	1.9
171.14874	0.3
178.52715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1177
Annotation	3alpha-Acetoxynortropane
Peak:m/z	Relative Intensity
55.01880	0.9
57.07069	1.7
57.33901	0.2
59.28563	0.2
63.81701	0.2
72.04512	0.8
78.58648	0.1
86.06088	0.9
86.09705	100.0
87.10032	1.2
89.07141	0.3
104.73845	0.2
116.10717	1.1
128.10713	26.4
128.95053	0.2
129.11069	0.3
142.12263	0.6
170.06033	0.3
170.08145	0.2
170.11755	5.6
171.14966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1177
Annotation	L-3-cyclohex-2'-enylalanine
Peak:m/z	Relative Intensity
55.05496	3.9
56.05035	10.6
56.96547	4.7
65.03936	3.0
67.05506	10.3
69.03435	7.2
70.06591	67.8
70.71118	3.3
71.04976	4.2
71.06931	1.6
72.04504	1.9
72.09116	1.4
79.05490	26.0
81.07052	11.4
82.06575	5.6
83.04944	2.1
83.06092	2.3
86.09679	1.9
89.70891	1.3
89.85903	1.3
91.05476	14.7
93.07035	3.2
95.08605	8.0
96.04525	1.9
96.06900	1.4
96.08126	5.6
97.02894	29.5
97.06527	5.2
105.07038	5.5
107.04946	7.8
107.08595	56.8
107.44042	1.3
108.08957	1.3
109.06522	15.1
109.07640	1.9
109.10152	12.6
110.06024	2.6
110.07207	7.3
111.04459	9.1
115.05445	6.7
117.07018	21.3
119.06056	2.7
119.07306	2.4
123.08066	12.7
124.07640	2.1
124.08703	5.3
124.11220	16.0
125.06017	1.3
125.09619	10.6
125.99534	1.2
128.07077	1.6
128.10539	1.2
128.11517	1.5
128.12469	1.3
134.06039	3.3
134.09653	18.9
135.08046	85.3
136.08446	2.3
139.03894	6.2
142.12270	1.9
145.38272	1.4
152.07108	9.1
152.10701	100.0
153.09114	43.6
153.11021	1.9
154.58278	1.3
170.08029	2.5
170.09401	4.1
170.11758	99.9
170.15445	2.6
171.12126	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	170.1178
Annotation	Piperidione
Peak:m/z	Relative Intensity
52.32346	0.4
55.01872	0.8
55.05520	1.7
56.05038	1.1
56.96568	44.0
57.25662	0.4
58.24067	0.4
61.71678	0.4
67.05501	0.8
68.05022	0.5
69.03431	12.5
69.07069	0.6
69.88822	0.7
69.89159	0.6
70.06589	3.3
71.04974	0.5
72.04517	0.6
72.08144	1.1
79.05487	2.5
81.05809	0.7
81.07049	0.9
82.06578	4.1
83.04984	0.8
83.07357	1.2
84.04525	0.5
84.08134	0.9
87.04465	0.6
96.08131	48.7
97.02875	0.4
98.23439	0.4
98.97567	0.7
99.09212	0.8
100.07626	1.1
101.00945	0.6
102.00959	0.4
102.02213	0.5
103.02457	0.5
107.08623	1.3
109.08912	0.7
110.06034	0.9
110.07185	1.2
110.09680	0.4
110.97564	1.3
111.04501	0.5
119.01904	1.1
120.02032	0.5
122.09655	0.8
124.07607	1.7
124.11233	49.3
124.99132	6.2
125.05922	0.6
125.09631	4.3
125.11563	0.8
127.01567	1.0
128.95082	0.9
128.98647	1.3
129.03958	0.7
134.06015	6.4
135.08043	0.5
142.08575	0.4
143.00163	16.5
146.96078	0.5
146.99606	1.3
147.01366	0.7
147.03160	1.8
147.04997	4.9
152.07100	13.1
152.10701	100.0
153.11035	2.2
161.01222	20.0
165.04231	1.0
165.06105	2.5
170.06627	3.2
170.08118	2.7
170.11761	74.6
170.99641	1.3
171.12077	1.5
179.02264	3.7
188.07698	1.6
189.00702	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	170.1542
Annotation	Nitramine
Peak:m/z	Relative Intensity
55.01877	2.2
55.05512	18.8
56.96552	2.6
57.03442	3.4
57.07078	23.1
66.11373	2.1
67.05517	9.1
68.75562	1.9
69.07072	100.0
70.06575	2.5
70.61008	3.5
71.05000	4.4
71.08643	16.5
72.04520	16.4
72.08160	10.2
79.05512	6.6
81.07056	21.8
83.04983	4.5
83.08630	17.8
83.89491	1.7
86.06081	17.2
86.09721	2.8
87.74167	2.1
89.07156	10.1
93.07046	20.1
95.08620	19.5
96.08117	2.1
97.06531	31.3
100.07626	29.2
107.08604	22.5
109.10157	11.7
110.07204	4.5
111.08101	13.5
111.11720	19.4
114.09170	31.4
128.10736	4.9
128.14362	6.3
128.95102	5.6
135.11699	45.9
146.96120	2.9
152.14362	2.2
153.12749	41.7
170.06023	3.8
170.08177	2.7
170.09616	6.0
170.11783	2.6
170.15407	46.6
171.14885	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	171.0169
Annotation	Unknow
Peak:m/z	Relative Intensity
79.37405	68.4
125.09052	75.9
136.12408	69.2
171.01675	100.0
187.63196	74.5
194.98901	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65035	24.9
65.84552	24.9
69.74324	29.1
69.74668	100.0
96.06860	48.1
124.08762	38.9
125.09080	27.2
132.27379	25.6
136.79395	25.5
171.11217	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03956	0.4
55.01875	2.0
55.05510	3.3
56.96560	1.1
57.02522	0.4
65.03941	20.1
66.04302	0.4
67.05496	1.8
68.02625	0.3
68.99787	6.9
69.03427	1.4
69.07079	0.7
69.21771	1.3
69.22185	0.7
70.06575	0.5
70.83490	0.3
70.94228	0.5
71.06916	0.4
72.04514	7.0
79.05467	0.4
81.03423	3.1
83.01310	0.4
83.04978	9.2
83.05441	0.7
83.08607	1.8
84.04502	0.9
84.08153	0.6
88.95293	0.8
89.07152	5.7
91.05486	0.4
93.03406	8.9
96.02121	0.9
97.02876	1.3
97.06540	0.4
98.97569	0.5
107.08572	0.5
109.02870	0.6
110.03645	0.4
111.04440	81.1
112.04787	0.4
116.98627	0.5
121.02887	1.2
121.03981	10.1
123.54608	0.3
125.06030	0.7
125.07035	0.4
125.09657	0.5
127.03910	0.6
139.03896	100.0
140.04247	1.6
147.96884	0.5
153.01797	0.8
153.05464	0.6
153.11023	0.9
154.12172	0.4
165.87112	0.3
171.06538	8.5
171.07933	0.7
171.10020	0.4
171.12085	1.0
171.14929	6.3
191.90546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.01870	10.1
55.05507	35.3
57.03436	10.1
57.07070	7.4
59.04995	9.8
62.11011	4.8
65.79547	5.4
67.05505	44.9
69.03424	12.0
69.07071	39.8
71.04987	64.7
71.45738	5.1
72.04518	94.3
72.08132	17.5
73.02921	9.2
73.06545	18.3
79.05499	43.4
79.25044	5.8
81.07059	100.0
82.46489	5.0
83.04977	7.7
83.08635	31.8
83.45590	5.1
83.96327	5.6
84.04519	7.6
85.02876	6.9
85.06536	15.4
86.09726	11.7
87.04437	6.7
89.07162	72.3
91.05481	15.4
93.07049	54.1
95.04980	11.9
95.08593	29.2
97.06529	21.3
99.04434	7.1
104.03481	9.9
107.04932	14.1
107.08598	75.8
109.06516	8.2
109.10160	31.4
111.04439	22.0
111.08084	17.9
123.11700	22.4
125.09615	23.3
128.06216	10.4
135.08095	16.1
135.11682	51.9
139.03877	28.3
141.12740	40.9
143.08534	6.2
153.09090	16.4
153.12735	39.9
154.08591	9.1
156.09319	13.3
171.06563	6.5
171.07942	10.3
171.10161	15.6
171.11662	25.2
171.14914	89.9
172.09698	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	173.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05568	6.4
56.00042	0.5
59.05050	0.6
68.68576	0.5
69.22691	2.7
71.50854	0.4
72.93802	2.7
77.31706	0.5
79.05553	0.7
83.04987	6.7
90.90413	1.2
90.94887	2.0
91.05478	2.3
101.06008	5.1
105.07034	4.6
105.87654	0.5
107.04988	0.5
111.04444	8.6
113.96436	0.5
115.05437	3.2
116.06283	0.7
117.07018	5.1
127.07578	1.1
128.06227	1.4
129.05472	2.6
129.06984	4.2
130.06462	0.6
130.06841	0.5
130.07787	4.5
131.04971	0.7
131.08617	1.2
131.92996	0.9
131.97502	0.6
137.05995	0.5
143.08597	1.1
144.05731	1.9
145.05452	0.6
145.06497	3.8
145.07617	1.3
145.10127	9.1
149.94066	0.6
149.96098	1.3
149.97227	0.7
150.96950	0.5
153.06998	4.2
154.07718	2.0
155.07117	5.2
155.08551	100.0
156.08894	1.4
157.06512	1.2
158.07271	26.1
167.97124	0.7
172.08847	0.6
173.08109	9.6
173.09602	49.4
174.07600	0.7
174.09903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.0
54.96386	0.5
55.05506	2.8
65.03951	0.7
65.51424	0.5
72.48703	0.5
72.93807	1.2
77.03980	0.6
79.05527	0.9
83.04559	0.7
83.04968	2.9
90.94849	1.0
91.05468	2.8
100.56656	0.5
101.06035	1.9
105.07038	4.3
111.04451	5.0
113.05997	0.5
115.05462	2.6
117.07002	4.2
128.06239	1.8
129.05499	0.5
129.07014	5.2
130.07768	3.8
131.04907	0.7
131.08521	0.8
132.93756	0.5
143.08513	0.9
144.05710	1.7
145.06487	3.5
145.10123	7.3
153.06999	4.2
154.07777	2.2
155.08554	100.0
156.08925	1.5
157.06430	1.6
158.07274	24.3
158.08586	1.2
173.08145	4.6
173.09615	38.7
174.09915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
50.08339	0.3
53.03997	0.5
55.05515	4.2
59.05054	1.1
64.04524	0.4
67.05547	0.6
68.16550	0.5
71.45789	0.4
72.93786	2.1
79.05529	0.9
81.46410	0.4
83.04985	5.7
87.04514	0.6
89.02402	0.6
90.90440	0.7
90.94872	1.7
91.05479	2.5
95.04988	0.6
99.04436	0.4
100.07704	0.5
101.06007	4.2
103.03313	0.4
105.07038	4.8
105.07620	0.4
108.95859	0.5
111.04446	7.6
111.05160	0.5
113.06025	0.6
115.05472	3.1
116.06312	0.6
117.07011	3.6
118.06564	0.7
119.04958	0.5
127.05422	0.4
127.07589	1.0
128.06245	1.1
129.05493	3.5
129.06992	4.2
130.07785	4.3
131.05032	0.8
131.08560	0.7
143.08633	1.6
144.05675	1.8
145.06493	4.4
145.07666	1.2
145.10120	8.5
149.94055	1.0
149.96121	0.7
150.96867	0.7
153.06996	4.2
154.07793	1.3
155.07132	4.6
155.08556	100.0
156.08949	1.3
157.06477	1.9
158.07274	27.6
159.07465	0.4
167.97133	0.8
173.08148	7.7
173.09608	49.8
174.09966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
50.36287	0.6
53.03945	0.8
55.05510	6.1
58.78986	0.8
59.05016	1.1
72.93783	2.4
79.05495	1.0
83.04980	6.5
85.06544	0.7
90.94808	3.0
91.05473	2.9
97.02880	1.1
101.06020	4.6
105.07041	6.5
111.04449	9.1
115.05471	4.2
117.07011	4.7
127.07500	1.0
128.06209	1.7
129.05498	2.1
129.06993	4.9
130.07744	4.5
131.08537	1.7
143.08464	1.1
144.05687	1.3
145.06467	3.3
145.10133	7.9
149.16748	0.6
149.94026	1.2
153.06966	4.1
154.07771	1.6
155.07112	5.3
155.08546	100.0
156.08900	2.0
157.06503	1.7
158.07269	28.9
173.08130	8.7
173.09619	43.4
173.13226	1.8
174.07693	0.7
180.66301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.10476	0.4
55.05507	5.6
59.05005	1.1
65.03922	0.6
67.05507	1.5
69.23093	2.4
72.93790	1.4
83.04985	5.7
87.04466	0.6
87.94604	0.4
88.97801	0.4
89.02380	0.6
90.90385	0.8
90.94823	2.1
91.05492	2.0
101.06024	4.3
101.49415	0.5
105.07026	2.4
108.95824	0.6
111.04444	5.8
113.96366	0.5
115.05444	0.8
116.06244	0.7
117.07006	1.6
119.08591	6.7
127.07559	0.8
128.06221	0.6
129.05502	2.6
129.07001	3.4
130.07774	1.5
131.08569	14.5
131.97441	0.7
133.10130	3.8
142.07773	1.7
143.08562	20.9
144.09369	3.2
145.07617	0.8
145.08975	0.7
145.10129	11.9
149.94115	0.8
149.96088	0.7
155.07048	5.3
155.08353	0.8
156.09293	1.0
157.10147	1.3
158.10910	45.6
159.11293	1.2
165.58270	0.5
171.11676	1.4
173.02412	0.6
173.08215	9.3
173.13258	100.0
174.07570	0.8
174.13582	1.6
174.39862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.82529	0.5
52.67641	0.5
55.05509	2.5
60.88726	0.5
64.32277	0.5
67.05507	2.0
69.77109	1.7
79.05484	1.3
81.07056	3.0
83.04976	2.6
91.05484	8.0
93.07086	1.0
95.08597	0.7
95.26487	0.4
98.23387	1.0
99.41829	0.5
101.06031	1.9
103.96978	0.6
105.07033	8.0
111.04445	3.0
115.05441	0.9
116.06237	1.7
117.07027	5.2
119.08588	12.7
122.52642	0.5
122.79433	0.6
128.06216	1.3
129.05510	0.5
129.06995	7.8
130.07817	2.5
131.08572	50.7
132.08847	0.7
133.10136	1.9
143.08563	15.5
144.09355	7.8
145.10133	26.6
155.07036	1.8
155.08488	1.1
156.09348	0.8
157.10094	0.8
158.10910	22.5
171.11703	1.8
173.08263	3.1
173.13266	100.0
174.13628	1.4
179.16405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05508	1.4
57.07069	0.5
65.03924	0.5
67.05516	2.1
69.44606	1.9
79.05485	1.1
80.41322	0.4
81.07045	1.8
83.04992	1.1
87.04446	0.5
91.05482	7.7
93.07026	1.3
101.06044	0.9
103.05415	0.5
105.07032	7.6
111.04446	1.0
115.05451	0.9
116.06243	2.2
117.07032	4.1
119.08586	13.5
119.56180	0.4
128.06223	1.2
129.07007	7.5
130.07806	2.5
131.08571	53.6
132.08958	1.0
133.10118	2.0
138.00957	0.4
142.07742	0.6
143.08557	17.5
144.09354	7.0
145.10129	25.1
155.07115	1.0
155.08580	1.4
156.09315	1.4
157.10132	1.0
158.10915	28.4
159.11353	0.6
171.11720	2.4
173.13263	100.0
174.13570	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	173.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.0
57.38128	2.1
59.05003	4.1
64.31923	2.0
65.97157	2.4
69.07055	8.3
70.09352	3.6
70.09670	2.5
71.08632	80.8
72.93782	3.6
75.09020	1.9
79.05480	2.4
81.07034	2.3
83.04981	11.2
91.05456	4.2
99.08099	55.9
101.06009	9.1
105.07014	8.2
111.04446	12.4
115.05428	6.7
117.07033	11.4
117.07700	2.1
129.00732	2.6
129.07022	5.1
129.12709	5.9
130.07744	6.7
131.08597	13.6
143.08521	6.4
144.09285	3.2
145.06401	6.1
145.09003	3.3
145.10130	33.7
153.06970	2.7
155.07019	8.9
155.08527	19.4
158.06027	3.3
158.07278	38.4
158.10875	7.7
173.02377	22.7
173.08144	15.0
173.09605	100.0
173.13263	21.0
174.09900	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	173.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	24.5
57.07066	2.0
57.16548	1.5
57.94300	1.4
59.04992	5.6
62.27004	1.4
67.05499	1.9
69.07072	11.8
69.08194	4.7
69.08617	6.5
71.08633	100.0
72.93793	4.7
74.37881	1.5
81.07049	2.0
83.04984	22.0
83.05449	2.5
87.04459	2.1
89.02396	1.9
90.94825	4.8
91.05487	4.5
94.30347	1.6
99.04457	1.7
99.08096	62.7
101.06016	18.1
103.43089	1.7
105.07032	5.3
111.04444	27.5
115.05460	6.3
117.07017	6.8
119.08598	3.0
127.07523	2.1
128.06242	2.4
129.05470	9.5
129.07027	4.6
129.12761	5.6
130.07790	2.2
131.08551	11.2
131.35275	1.4
131.97438	1.5
132.95879	1.8
143.08575	5.7
145.06482	6.6
145.07539	2.6
145.10124	14.3
150.96960	1.8
154.04660	1.6
155.05984	2.4
155.07043	18.5
155.08516	6.7
158.07285	15.1
158.10939	6.5
160.70079	1.8
161.83450	1.5
173.02368	10.6
173.05898	2.6
173.08127	30.7
173.09630	37.6
173.13257	21.8
174.07613	1.9
174.20480	1.8
184.39784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	2.4
57.03435	1.7
57.07067	3.6
60.05635	2.6
60.24709	1.2
61.02913	3.3
65.15878	1.0
70.06595	6.3
70.95861	2.0
71.45256	1.3
73.02903	2.2
84.06101	1.2
86.09702	100.0
87.04461	1.5
87.10034	1.2
87.44452	0.9
89.06033	2.2
93.05315	0.9
98.06033	2.0
98.98443	5.0
111.98515	1.4
112.04771	2.1
116.07094	2.1
128.07079	2.3
129.99507	1.3
131.97446	2.0
132.06561	4.5
132.08061	1.8
132.95819	2.2
146.06093	1.5
146.08102	1.3
149.98598	1.1
150.96869	3.5
155.97380	1.6
173.98572	1.5
174.05426	2.5
174.07622	4.3
174.12772	7.0
174.14902	21.7
174.18417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1491
Annotation	(+)-Muscarine
Peak:m/z	Relative Intensity
55.05518	0.7
56.05043	0.4
56.96570	1.6
57.03444	1.0
58.06602	16.6
59.04999	1.0
59.07381	11.3
60.04525	3.8
60.05649	0.5
60.08166	49.3
69.03430	0.3
69.07072	9.2
69.97626	0.8
70.06592	1.6
70.95880	0.7
72.04448	0.3
72.93803	0.4
73.06563	3.9
74.69272	0.3
80.03452	0.3
84.08169	0.4
90.94820	0.3
97.06534	0.9
98.97550	0.4
98.98485	1.1
110.41943	0.3
111.98484	0.7
113.98667	0.3
114.05550	0.5
115.07572	0.6
116.07122	0.4
128.03378	0.3
128.07091	0.4
130.06538	1.0
131.97406	0.4
132.06555	0.4
132.95816	1.9
133.03525	0.3
150.96919	1.4
155.97461	0.8
156.00499	0.4
161.28445	0.3
173.98448	0.5
174.01500	0.4
174.07681	0.8
174.09145	1.8
174.14900	100.0
175.04573	0.4
175.15161	1.0
175.37782	0.3
192.02664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
56.57244	0.3
57.07074	17.3
58.06594	3.0
60.04493	0.4
60.05633	0.6
62.06088	13.7
64.49267	0.3
68.49396	0.3
69.78120	0.7
69.78508	0.7
70.06581	1.4
70.95867	0.4
71.08632	12.6
78.70765	0.3
95.48154	0.3
98.98459	1.5
125.61282	0.3
132.06561	0.8
132.95815	0.6
150.96910	0.4
155.97424	0.4
156.17476	12.6
174.18530	100.0
175.18906	1.3
180.40578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30619	0.3
53.35484	0.3
53.93499	0.3
55.05500	0.5
56.00659	0.3
56.05026	0.4
57.07075	15.3
58.06598	3.4
60.05649	0.7
62.06086	14.4
69.16319	2.2
70.06585	1.3
71.08629	12.6
91.05476	0.8
97.02850	0.4
98.98457	2.6
109.71265	0.4
111.98471	0.5
112.04775	0.4
113.82489	0.3
115.05459	1.3
115.56375	0.4
116.07059	0.6
119.04916	0.6
128.07063	0.7
132.06584	0.7
132.08109	0.4
132.95813	1.2
133.06529	0.4
144.05739	0.4
150.96870	1.1
156.17471	11.5
160.05208	2.2
174.07610	1.4
174.12782	2.1
174.18526	100.0
175.07552	4.4
175.11110	0.5
175.11954	0.4
175.18863	1.6
189.08972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
57.07078	0.4
57.76236	0.4
60.05646	7.2
64.64651	0.5
69.75993	1.3
70.06590	15.9
70.63807	0.4
71.08637	0.5
72.08156	1.1
74.93177	0.4
81.07053	0.5
83.28182	0.4
84.08131	0.5
84.30140	0.4
91.05482	1.5
92.97273	0.6
98.98466	7.3
103.05467	0.5
105.03410	0.5
105.07065	0.8
112.08713	0.7
115.05454	36.0
116.06296	1.2
116.07072	5.1
116.97200	0.6
116.98638	0.5
117.07009	8.3
119.08575	1.6
128.06224	1.1
129.06999	2.7
130.09761	2.3
131.04897	1.4
131.08549	0.4
132.05711	5.1
133.06577	0.4
133.57156	0.5
143.04916	10.2
144.05714	9.8
144.06839	0.6
145.06482	1.3
147.08034	3.6
151.94008	0.4
155.06046	1.1
157.07616	0.5
158.09241	1.2
159.04408	0.5
160.05196	62.6
160.61591	0.4
161.05754	1.4
174.06757	0.5
174.18500	2.3
175.07536	100.0
175.18900	0.4
176.07883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28049	0.7
52.18616	0.7
55.01845	0.7
56.45144	0.7
57.03388	0.8
60.05408	0.9
60.05645	8.9
62.58766	0.7
65.03916	1.0
65.32425	0.7
70.06592	30.6
71.44041	0.9
72.08143	1.1
74.96190	0.9
79.05476	3.1
81.07025	2.6
83.78899	0.9
91.05480	24.2
95.04943	0.9
95.88425	0.7
98.97546	1.2
98.97765	1.0
98.98463	11.3
99.13424	0.9
99.49919	0.9
103.05426	1.5
105.07024	6.5
111.00423	0.7
112.08709	1.0
115.05452	4.9
116.07077	8.8
116.97205	1.9
116.98582	0.9
117.07003	6.9
118.39981	0.7
119.04942	17.9
119.08556	5.3
121.06503	9.0
129.06956	2.1
130.06520	0.9
130.09773	4.0
132.05685	1.3
133.06491	51.6
133.10120	3.1
137.05995	5.9
142.07771	4.2
145.06432	1.4
145.10109	0.8
146.60744	0.8
147.08096	1.4
147.11623	2.0
151.93921	1.0
151.98531	0.9
152.96915	1.1
157.10120	33.5
158.09212	2.2
158.10468	1.0
160.05209	5.3
160.08803	1.9
175.07668	8.5
175.11145	100.0
175.98453	1.1
176.11499	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	175.1117
Annotation	Dihydropalutropone
Peak:m/z	Relative Intensity
55.01877	0.8
60.05640	3.2
65.03926	1.5
69.51143	2.5
70.06594	8.3
72.08147	1.7
79.05488	2.3
81.07047	3.1
91.05482	31.2
93.07041	1.0
95.04935	0.9
98.22771	1.7
98.97533	1.4
98.97857	0.7
98.98472	7.3
101.30928	0.8
103.05450	1.2
104.11510	0.8
105.07034	7.5
115.05441	1.8
116.07082	2.5
116.97223	0.8
117.07021	6.2
119.04947	20.2
119.08588	4.4
121.05869	0.7
121.06518	8.5
126.46161	0.8
129.06989	2.7
130.09738	1.0
131.08574	1.4
133.06494	45.1
133.10065	1.5
137.05968	6.5
142.07771	5.3
145.06448	0.8
145.10115	0.7
147.04449	0.8
147.08049	1.3
147.11668	1.7
157.10129	32.3
158.09259	1.0
158.10463	1.0
160.05164	1.1
160.08844	2.5
175.07661	2.4
175.11176	100.0
175.18884	2.6
176.11517	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	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
55.96381	0.8
59.69147	0.6
60.05629	1.4
63.98558	0.7
65.03935	1.5
68.78269	0.6
70.06595	3.1
72.08167	0.9
79.05486	3.0
80.34423	0.6
81.07063	3.1
91.05483	28.8
93.06969	1.0
98.98454	2.1
103.05455	1.7
105.07042	8.5
115.05439	2.3
116.07084	0.9
117.06422	0.6
117.07045	7.3
119.04951	18.0
119.08584	3.0
121.06510	10.4
129.06998	2.7
131.08527	1.4
133.06494	53.3
134.06841	1.0
137.05981	6.9
142.07779	7.8
145.06523	0.9
145.10127	0.7
147.08055	1.9
147.11674	1.9
157.10129	31.9
158.10486	0.7
160.08846	2.4
175.11185	100.0
176.11523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	Dihydropalutropone
Peak:m/z	Relative Intensity
51.02386	0.6
55.01877	1.0
65.03936	0.8
69.07056	1.5
69.50187	2.8
79.05492	3.3
81.07049	3.2
83.08691	0.6
89.03839	0.6
89.69215	0.5
91.05484	24.6
91.06060	1.2
93.07032	1.3
98.98425	0.9
103.05489	1.2
105.07034	9.5
107.08582	0.8
115.05457	2.0
117.07022	6.1
119.04947	16.9
119.08584	8.3
120.56149	0.6
121.06518	8.8
129.07013	2.7
131.08543	0.9
133.06496	53.1
133.10127	5.4
134.06813	0.6
137.05968	7.4
139.00354	0.5
142.07776	6.4
145.06503	0.7
145.10118	0.9
147.08044	1.6
147.11699	2.5
157.10130	35.3
158.10455	0.7
160.08873	3.0
175.11189	100.0
175.14626	5.5
176.11504	1.6
177.23735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
60.05649	4.3
65.03936	1.4
69.75099	0.6
70.06239	0.7
70.06597	10.9
71.05006	0.6
72.08136	0.9
73.13054	0.5
79.05499	2.2
81.07072	3.3
83.77179	0.4
84.41615	0.4
91.05488	24.8
92.05786	0.6
93.07037	1.1
95.04948	0.6
98.97523	0.4
98.98477	8.4
103.05481	1.1
105.07042	8.2
112.08730	0.5
115.05451	3.6
116.07083	3.2
116.97182	0.6
117.07024	5.8
119.04953	17.7
119.08589	4.4
120.05735	0.5
121.06507	8.7
128.06255	0.5
129.07033	2.8
130.09767	1.6
131.08560	1.4
132.04373	0.4
133.06500	45.8
133.10098	2.4
137.05992	6.4
142.07787	5.4
143.04909	0.4
145.06491	0.5
145.10139	0.7
147.04364	0.6
147.08054	1.5
147.11655	2.3
148.09726	0.4
151.98450	0.6
155.08495	0.4
155.39331	0.4
157.10138	31.6
158.09328	0.8
158.10529	0.5
160.05185	2.2
160.08812	2.0
175.07809	3.3
175.11182	100.0
175.18887	1.7
176.11530	1.9
180.57553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	Dihydropalutropone
Peak:m/z	Relative Intensity
55.01854	1.1
55.05494	0.4
57.03430	0.4
59.62415	0.3
60.05639	1.2
65.03937	1.3
69.12728	1.9
69.13132	0.8
70.06594	3.5
72.08143	0.6
79.05499	2.2
81.07053	2.5
91.05480	24.3
93.07039	0.8
95.04971	0.7
98.98460	3.2
103.05460	1.0
105.07025	8.5
107.04973	0.5
112.08777	0.7
115.05451	3.4
116.07076	1.6
117.07021	6.3
119.04945	18.7
119.08575	3.3
121.06511	9.9
124.77150	0.3
129.07002	2.7
130.09695	0.6
131.08591	1.3
133.06491	51.5
133.10107	1.4
134.06839	1.0
137.05983	7.1
141.06972	0.6
142.07771	7.0
145.06441	1.0
145.10126	0.6
146.07240	0.7
147.08037	1.7
147.11693	2.4
147.40691	0.4
157.10130	35.1
158.10457	0.9
160.05208	1.0
160.08818	2.6
175.07632	2.0
175.11179	100.0
176.11557	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76692	0.2
60.05649	37.7
68.05026	0.2
70.06592	100.0
71.05002	1.5
71.06920	1.0
72.08159	4.1
84.08135	2.2
86.14626	0.2
88.07622	0.8
90.21465	0.2
97.07664	0.7
98.06046	0.5
98.94556	0.2
112.08726	4.6
113.07138	0.4
114.10288	0.7
115.08692	0.9
116.07092	27.4
130.08716	0.8
130.09760	12.8
130.12250	0.4
141.06631	0.3
149.00816	0.3
157.10860	1.7
158.09250	9.2
170.97577	0.2
175.11906	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06620	0.4
60.05651	37.9
70.06593	100.0
70.31367	0.8
71.04996	1.8
72.08163	3.7
79.98775	0.4
82.20065	0.4
84.08145	1.2
88.07625	0.7
97.07666	0.8
98.06042	0.6
112.08727	4.3
113.07113	0.5
114.10313	0.9
115.08660	0.7
116.07094	28.5
126.47627	0.4
130.08780	0.6
130.09770	12.7
134.68224	0.4
141.06624	0.5
157.10831	1.7
158.09265	8.3
175.11909	30.5
176.12219	0.5
186.04176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05648	37.9
65.66085	0.3
68.05009	0.3
69.22569	1.7
70.06591	100.0
71.04978	1.8
71.06915	0.8
71.67061	0.3
72.08149	4.1
84.08154	1.8
97.07644	0.8
98.06065	0.6
102.39686	0.3
112.08730	4.2
113.07098	0.5
114.10294	0.9
115.08706	0.8
116.07091	29.8
130.08771	0.8
130.09756	13.0
157.10796	1.3
158.09236	9.0
167.09802	0.3
175.11900	29.7
176.12164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05649	37.5
63.35705	0.5
69.68494	1.3
70.06592	100.0
71.04990	1.6
71.06930	1.0
72.08154	4.3
80.69907	0.4
84.08157	2.6
88.07603	0.7
97.07667	0.9
98.06052	1.0
98.23392	0.7
107.27069	0.4
112.08734	4.5
114.10282	1.2
115.08709	1.0
116.07094	27.9
130.08771	0.9
130.09766	13.3
131.02953	0.4
157.10841	1.8
158.09247	9.0
175.04510	0.4
175.11905	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	1.0
53.29421	0.7
54.41195	0.8
55.05510	8.6
63.30759	0.7
67.05479	2.5
69.06712	1.2
69.07065	19.3
69.59255	3.4
77.03884	1.0
79.05488	2.8
81.07059	10.2
83.08599	3.8
91.05480	8.8
92.08692	0.9
93.07042	5.5
95.08611	9.5
98.23443	0.8
98.98461	2.9
105.07030	30.3
105.07741	1.4
106.73869	0.9
107.08591	6.4
117.07017	3.4
119.08582	78.7
120.08884	0.9
121.10140	1.7
129.07018	0.9
131.08578	4.4
133.10127	61.6
145.10095	4.4
146.10896	1.9
147.11685	11.8
160.12480	3.0
170.22758	0.8
173.13277	1.6
175.11241	2.3
175.14821	100.0
176.15102	1.0
181.19786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93599	0.4
55.05512	7.2
57.07074	1.1
67.05517	2.1
69.07069	19.3
71.44054	0.5
73.68158	0.4
79.05485	1.5
81.07055	5.3
82.07141	0.4
83.08616	3.8
91.05480	6.7
93.07041	3.4
95.08604	5.1
97.60873	0.5
98.98476	1.7
105.07027	20.6
107.08591	4.4
115.05450	0.7
117.07031	2.9
118.07793	0.6
119.08578	70.2
120.08894	0.7
121.10130	2.3
131.08554	2.6
133.10126	64.7
134.10515	0.6
135.11671	0.7
140.79973	0.5
145.10120	5.2
146.10886	1.1
147.11676	10.6
159.11786	0.4
160.05244	0.8
160.12474	3.3
173.13245	2.2
175.07567	1.5
175.14818	100.0
176.15114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03956	0.5
55.05512	8.4
55.05782	0.4
57.07072	1.1
63.47933	0.2
65.03946	0.5
67.05506	3.1
69.07069	22.6
70.07424	0.3
71.44086	0.2
72.36403	0.2
77.03922	0.5
79.05486	3.1
81.07059	10.3
83.08620	4.9
91.05480	10.2
91.06064	0.5
93.07046	5.1
93.07603	0.4
95.04977	0.6
95.08018	0.5
95.08612	8.3
97.16586	0.2
98.98479	0.7
103.05475	1.0
104.06265	0.4
105.07031	34.0
106.07337	0.5
107.08591	7.3
109.06547	0.3
109.10149	0.4
115.05470	0.9
117.07008	3.5
118.07832	0.5
119.08581	86.0
120.08916	0.4
120.09373	0.9
121.10146	3.3
129.07008	0.5
131.08562	4.6
132.09389	0.5
133.10129	74.5
134.10529	0.8
135.11720	0.8
140.14960	0.2
145.10118	4.8
146.10962	1.3
147.11687	10.3
157.10178	0.4
159.11728	0.6
160.05180	0.4
160.12465	3.4
169.54738	0.2
173.13292	2.5
175.07574	1.1
175.14819	100.0
176.15242	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70014	0.6
55.05510	8.0
57.07071	1.3
62.37643	0.5
64.30240	0.5
67.05499	2.8
69.07067	22.8
69.82813	0.6
70.71065	0.8
73.87402	0.5
79.05481	3.5
81.07053	9.0
83.08612	5.2
91.05477	11.1
93.07038	2.9
95.04946	0.7
95.08607	7.1
98.98469	4.0
105.07029	30.9
107.08602	6.6
110.16636	0.6
115.05459	0.7
117.07036	2.9
119.08578	87.0
121.10139	2.8
131.08551	4.8
133.10126	72.6
135.11792	0.8
142.07761	0.6
145.10100	5.6
146.10899	1.5
147.11678	11.3
157.10095	0.9
158.10870	0.6
160.12492	2.6
173.13280	1.6
175.07475	1.4
175.11250	2.7
175.14816	100.0
176.15144	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05514	11.1
57.07076	1.1
65.03938	0.6
65.65008	0.5
67.05499	2.4
69.07069	23.7
71.44712	0.4
77.03939	0.6
78.53944	0.4
79.05481	3.7
81.07059	11.6
83.08625	6.3
91.05486	11.3
93.07056	5.0
95.04997	1.0
95.08616	9.2
98.98450	4.6
99.06617	0.5
103.05449	0.8
104.06219	0.6
105.07031	34.0
107.08591	7.6
109.10153	0.8
115.05430	0.9
117.07036	2.8
119.08583	92.4
120.09399	0.7
121.10135	3.0
128.06219	0.5
129.06993	1.1
131.08560	5.3
131.18614	0.4
132.09328	0.8
133.10129	80.1
134.10403	0.6
135.11702	0.9
145.10118	7.0
145.30045	0.5
146.10934	1.1
147.11688	12.0
157.10161	0.8
159.11737	0.8
160.05200	0.9
160.12494	3.6
173.13263	2.7
175.03973	0.6
175.07532	2.7
175.14824	100.0
176.15213	1.0
178.33997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.61743	0.4
53.03956	0.6
55.05513	8.3
57.07070	0.8
57.70332	0.4
67.05499	3.3
69.07070	22.1
72.53027	0.4
79.05496	3.6
81.07060	11.1
83.08616	5.4
87.83125	0.4
90.54078	0.4
91.04585	0.4
91.05479	9.3
93.07042	5.3
93.64050	0.4
95.04986	0.5
95.08610	9.2
98.98476	1.4
103.05489	1.0
104.06248	0.5
105.07031	31.2
107.08595	7.0
109.10172	0.9
115.05432	0.5
117.07028	3.8
118.07784	0.5
119.08582	83.1
120.08876	0.6
121.10146	2.7
121.10873	0.4
131.08569	3.9
132.09291	1.0
133.10129	66.2
134.10471	0.7
135.11710	0.8
141.71024	0.4
145.10135	5.2
146.10898	1.6
147.11682	11.5
159.11630	0.8
160.12457	3.6
165.03633	0.4
173.13251	2.2
175.07544	1.1
175.14821	100.0
176.15155	2.2
180.44470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03950	0.9
55.05299	0.8
55.05514	10.0
57.07078	1.3
59.20416	0.9
67.05510	2.3
69.06712	1.3
69.07071	21.9
70.93463	1.3
79.05487	3.7
81.07059	9.3
83.08635	5.2
91.05472	10.2
93.07049	4.4
95.08599	8.8
98.98490	2.5
105.07034	33.6
107.08616	7.1
115.05443	2.1
117.07012	6.3
119.08585	91.0
121.10133	1.8
131.08556	4.9
132.09309	1.1
133.06508	1.6
133.10135	76.8
135.11748	1.6
145.10120	4.6
146.10899	1.2
147.11684	11.5
149.44975	1.0
157.10179	1.3
160.05203	3.5
160.12473	2.8
173.13261	1.7
175.07567	5.3
175.11214	2.6
175.14827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.09685	0.7
50.11077	0.8
55.05505	6.8
57.07085	0.9
60.66658	0.7
67.05472	1.2
69.06714	1.2
69.07069	18.5
70.06591	0.9
79.05486	2.0
81.07056	8.3
83.08640	4.2
85.01563	0.8
85.53075	0.8
91.05479	10.5
93.07037	2.6
95.08612	5.6
98.23521	1.9
98.98477	10.2
105.07034	22.9
105.07732	1.2
107.08591	5.2
117.07028	3.1
119.04939	1.0
119.08585	77.4
120.08891	1.5
121.10146	2.1
129.06937	0.8
131.08563	4.4
133.06497	2.0
133.10133	74.5
134.10512	0.9
145.10112	5.0
146.10968	1.2
147.08078	1.1
147.11699	12.0
157.04329	0.8
157.10115	0.8
159.11685	1.1
160.05173	1.5
160.12469	2.9
162.86890	0.8
163.18953	1.0
168.66534	0.7
173.13255	2.0
175.07513	4.1
175.11227	6.9
175.14828	100.0
176.15147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	7.7
57.07071	1.6
62.14439	0.5
67.05505	2.9
67.06284	0.5
69.07067	21.4
69.83549	1.8
77.03948	0.7
77.73317	0.6
79.05493	3.7
79.07542	0.6
79.72232	0.6
81.07055	9.8
82.36678	0.6
83.08614	5.1
84.08160	0.6
91.05482	12.6
93.07020	4.3
93.44147	0.6
95.04958	1.1
95.08603	7.8
98.98480	4.3
105.07030	30.5
107.08593	5.7
109.10210	0.8
115.05424	1.0
117.07011	3.3
119.04935	1.5
119.08579	88.4
121.06582	0.6
121.10172	3.1
129.07034	0.9
131.08566	6.7
133.10129	77.1
134.10460	1.1
135.11658	0.9
145.10107	6.5
146.10915	1.1
147.11687	11.6
157.10129	0.8
158.10887	0.6
159.11743	0.8
160.05159	0.8
160.12469	3.9
173.13283	2.9
175.07542	1.6
175.11414	4.0
175.14818	100.0
176.15262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.05509	4.0
57.91747	0.5
67.05499	1.2
69.07072	11.0
69.46860	1.2
69.47244	2.4
70.06596	0.7
79.05486	2.8
81.07057	9.7
83.08592	2.6
91.05485	8.2
93.07032	2.9
95.04980	0.7
95.08619	6.9
98.98482	3.2
105.07030	19.9
107.08605	3.6
115.05511	1.1
117.06995	2.1
119.04921	1.7
119.08583	47.5
121.06496	0.7
121.10147	1.2
129.06984	1.4
131.08575	3.7
132.09406	1.0
133.06511	3.7
133.10126	100.0
134.10471	1.3
145.10121	4.1
146.10966	0.8
147.11687	9.2
157.10135	3.9
160.05205	0.9
160.12440	2.7
173.13257	1.8
175.07564	2.4
175.11240	9.0
175.14816	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	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90981	0.8
70.06580	1.8
70.46906	1.2
98.97588	4.3
116.98580	1.1
132.02118	100.0
146.05196	0.7
170.51942	0.8
176.01096	27.3
176.04678	1.1
178.04582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77614	0.9
55.05504	1.9
55.58969	1.0
56.05047	1.1
56.96548	2.0
58.06588	2.3
60.05650	37.9
62.61866	0.8
67.05504	3.3
67.82564	0.9
69.03426	1.2
70.06593	100.0
71.04988	8.3
71.06923	8.1
72.08155	7.2
79.05482	0.9
81.07056	1.5
83.54664	1.0
84.08149	10.7
85.06541	6.4
85.08474	1.1
86.06065	1.2
88.07635	1.3
93.07037	2.2
95.08610	2.1
97.02908	2.4
97.06533	1.4
98.06035	3.0
98.97587	16.1
99.04426	1.2
102.00981	1.2
112.07639	2.3
112.08735	4.0
112.11230	2.3
114.09151	4.8
114.10270	1.3
116.07099	25.8
116.98621	9.2
117.05540	1.2
117.07419	3.0
118.08632	1.3
119.01909	2.0
120.02061	3.0
121.01677	1.7
123.08102	1.5
128.10750	1.8
130.08650	5.3
130.09756	18.5
130.10684	1.9
130.12279	14.5
131.01920	1.6
132.02116	75.0
132.10208	6.1
134.99652	3.6
141.09061	1.2
158.08147	1.5
158.09251	7.4
158.11772	3.3
162.04317	1.6
175.04634	1.0
175.11916	26.8
175.14389	1.2
176.01089	19.8
176.02448	1.9
176.04651	1.6
176.09053	1.2
176.10498	5.9
176.12863	11.6
177.34138	1.1
185.22664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.62700	0.4
52.26412	0.4
54.03724	0.4
54.66452	0.3
56.90622	0.4
62.01609	0.5
63.02371	0.6
70.19423	0.3
70.52499	0.9
78.04709	2.3
89.03919	35.8
91.05457	2.2
93.07044	0.5
95.04993	0.4
96.08401	0.3
103.05467	1.3
106.04191	2.6
117.03381	66.5
118.03695	0.7
124.05176	0.4
129.04500	0.6
134.03633	7.8
135.04422	3.3
145.02850	100.0
146.03200	1.2
149.05978	20.7
162.03174	0.8
163.03920	1.2
177.05482	29.2
186.05490	1.1
192.28433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
56.96541	1.7
71.04951	0.9
74.02454	0.9
75.68772	0.8
78.04707	1.2
79.05450	1.0
81.03403	1.0
82.07914	0.7
86.06055	1.0
89.03924	8.9
91.05477	10.4
93.07043	1.8
96.04532	0.8
98.97575	2.9
98.98477	6.5
102.04675	1.2
103.05468	4.9
105.04514	0.8
105.07019	0.8
106.04166	1.8
107.04967	1.8
109.06474	2.1
114.05485	1.8
115.05445	7.6
116.06230	1.9
116.98653	4.0
117.03383	15.6
117.07014	12.7
118.96719	0.9
119.04935	2.3
119.08603	1.2
120.48029	0.9
121.05612	1.4
121.06503	29.1
121.10156	1.8
126.73988	0.7
130.04073	1.2
131.04916	15.0
132.05678	1.5
132.06558	1.4
133.06509	4.8
134.03604	1.8
134.07228	1.8
134.99658	1.6
135.04381	1.8
135.08008	1.0
137.06033	1.1
145.02850	21.4
145.06499	7.5
145.07597	1.2
146.07263	74.2
147.04385	2.9
147.08102	8.0
149.02324	3.0
149.05969	6.1
149.09608	3.7
161.05875	1.7
162.03072	1.0
162.06758	14.4
177.05573	8.2
177.09091	100.0
178.09448	1.7
186.05508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03918	0.3
65.03975	0.5
69.41150	1.4
71.06558	0.4
75.85115	0.3
77.03931	0.3
78.04729	0.9
79.05505	0.7
89.03906	1.5
91.05475	11.4
93.07037	1.3
95.04955	0.7
96.12160	0.3
98.22617	0.3
98.97599	1.3
98.98473	1.2
102.04684	1.0
103.05460	5.2
104.06240	0.7
105.07053	0.9
106.04190	0.9
107.04941	2.2
107.08655	0.3
109.06525	1.2
114.05508	0.5
115.05447	9.0
116.06250	2.2
116.98601	0.7
117.03366	2.4
117.07013	16.9
119.04940	3.4
119.05930	0.6
119.08601	1.2
121.06499	30.2
123.04442	0.6
126.45610	0.3
129.07033	0.4
130.04135	1.6
131.04922	18.5
132.05728	1.8
133.06491	5.5
134.03633	0.7
134.07280	2.2
134.99666	0.5
135.04442	0.5
135.08035	0.5
137.05945	1.4
144.05672	0.9
145.02823	3.3
145.06483	7.4
145.07619	1.5
146.07257	82.8
147.04404	3.7
147.08057	8.1
148.05186	0.6
149.02299	0.5
149.05942	2.0
149.09621	4.1
155.06018	0.8
159.07896	0.6
161.05937	1.9
162.06752	13.7
163.07140	0.3
165.09180	0.4
167.70950	0.4
175.07396	0.3
177.09093	100.0
178.09462	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22553	0.6
53.48877	0.6
56.96560	1.3
57.03439	7.2
57.07076	100.0
61.02932	1.7
72.59818	0.6
74.02451	0.9
74.42214	0.6
75.04493	1.2
75.65871	0.6
78.04709	1.1
85.06542	62.7
86.39484	0.6
87.04479	0.8
89.03913	7.0
91.05505	2.0
91.60789	0.6
98.97585	8.4
98.98448	5.5
99.97947	0.8
103.05444	0.8
103.07589	7.9
105.07043	0.6
106.04189	2.1
114.05556	1.2
116.98615	7.7
116.99273	0.8
117.03386	15.6
118.96813	0.8
132.06593	0.9
134.03662	2.4
134.99641	4.1
135.04445	1.1
145.02852	22.2
149.01364	0.7
149.02324	3.2
149.05959	8.0
159.04413	0.7
159.10179	12.4
159.11433	0.9
162.03152	0.8
163.03954	0.7
177.05466	8.5
177.06700	1.0
177.10326	1.9
185.76050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22553	0.6
53.48877	0.6
56.96560	1.3
57.03439	7.2
57.07076	100.0
61.02932	1.7
72.59818	0.6
74.02451	0.9
74.42214	0.6
75.04493	1.2
75.65871	0.6
78.04709	1.1
85.06542	62.7
86.39484	0.6
87.04479	0.8
89.03913	7.0
91.05505	2.0
91.60789	0.6
98.97585	8.4
98.98448	5.5
99.97947	0.8
103.05444	0.8
103.07589	7.9
105.07043	0.6
106.04189	2.1
114.05556	1.2
116.98615	7.7
116.99273	0.8
117.03386	15.6
118.96813	0.8
132.06593	0.9
134.03662	2.4
134.99641	4.1
135.04445	1.1
145.02852	22.2
149.01364	0.7
149.02324	3.2
149.05959	8.0
159.04413	0.7
159.10179	12.4
159.11433	0.9
162.03152	0.8
163.03954	0.7
177.05466	8.5
177.06700	1.0
177.10326	1.9
185.76050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05519	7.9
57.07082	0.9
65.03976	0.8
66.13644	0.7
67.05511	5.7
69.07071	24.3
69.49573	1.5
69.49959	1.6
79.05495	11.2
81.06624	1.3
81.07066	14.5
81.62878	0.8
83.08624	16.5
83.09102	1.4
91.05479	7.8
93.06450	1.3
93.07050	29.3
95.08613	38.4
97.10171	2.4
98.22722	1.1
102.25162	0.7
105.07037	7.0
106.04182	1.0
107.08600	72.4
109.06528	1.1
109.10159	12.2
119.06014	0.8
119.08565	2.2
121.10151	100.0
122.10480	1.7
123.08038	1.3
135.11696	18.0
149.06001	0.9
149.13284	5.4
177.05389	1.1
177.16389	68.9
178.16724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0711
Annotation	(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate
Peak:m/z	Relative Intensity
53.03934	1.7
56.43160	0.6
56.46551	0.7
59.04992	2.9
68.05021	7.2
69.03423	0.9
70.89908	1.0
74.02441	58.3
86.06065	17.4
87.04430	1.6
96.04491	59.6
97.02898	14.1
105.01462	0.7
106.04935	0.6
114.05529	100.0
115.05889	1.4
115.57711	0.7
126.67231	0.7
132.06564	53.7
142.04982	8.8
155.71434	0.9
160.06061	12.5
169.17599	0.7
178.07126	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	178.0711
Annotation	(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate
Peak:m/z	Relative Intensity
51.40854	1.3
51.47730	1.7
53.03942	1.7
59.04989	2.8
59.95220	1.5
62.05250	1.5
65.37679	1.4
68.05032	7.5
69.48893	3.5
69.49277	4.5
74.02442	63.6
86.06068	15.7
88.02225	5.2
96.04493	55.1
97.02898	13.0
97.18729	1.6
111.66038	1.4
114.05527	100.0
132.06569	57.8
137.72102	1.4
142.05000	11.5
154.93591	1.6
160.06068	14.1
178.05032	2.9
178.07086	16.5
178.08488	2.3
178.12231	3.8
179.06320	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	178.1227
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
51.23147	0.3
61.77546	0.3
62.57582	0.3
69.92958	0.9
74.02447	0.4
80.05036	0.5
81.23837	0.3
91.05484	0.4
91.82896	0.3
114.05550	0.5
115.05431	0.3
117.07007	1.0
118.06544	5.5
119.07325	7.0
132.08055	0.4
134.09653	47.1
145.69499	0.3
160.11255	0.8
162.09125	1.5
163.10022	0.5
178.12265	100.0
179.12604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
50.01602	0.3
51.02378	0.5
53.03954	1.4
57.03437	16.8
67.04900	0.2
67.81619	0.3
69.74109	0.4
77.03922	4.0
79.05492	18.9
79.91238	0.2
95.04968	6.8
98.22748	0.5
105.03391	100.0
105.04524	3.6
106.03702	1.1
109.81618	0.3
119.04919	0.4
123.04430	17.0
131.08797	0.2
136.05151	0.3
137.05969	2.1
151.07477	0.6
151.37527	0.3
175.45453	0.2
179.05396	1.2
179.07016	17.5
180.07236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01870	9.0
56.96568	1.4
57.03442	8.8
59.04986	0.8
60.04525	0.8
61.02932	4.9
69.03432	33.7
70.37812	0.6
70.38995	1.4
71.04988	2.1
72.04514	3.1
73.02919	6.0
81.03428	3.9
81.03831	0.7
84.04499	2.0
85.02906	100.0
87.04469	1.1
91.03946	1.2
96.04507	1.7
97.02896	23.5
98.22807	0.7
98.97580	11.5
99.04455	8.5
101.00900	0.8
101.02388	5.4
102.96864	0.8
103.03957	1.2
109.02896	3.2
114.05493	1.0
115.03918	2.8
116.98618	5.3
117.05475	1.2
120.01988	1.1
121.01691	0.7
126.05605	0.8
127.03920	54.2
129.03976	1.8
131.05595	0.9
134.99654	1.5
138.03137	0.7
141.12680	0.6
144.06636	0.9
145.04958	27.6
147.05037	1.2
150.55861	0.6
157.03467	1.5
162.03134	0.9
162.62280	0.7
163.06030	3.7
175.04503	1.9
180.08659	1.1
181.04935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
54.98637	0.5
55.01867	0.7
55.05511	3.6
56.96568	7.1
65.03939	1.2
67.05505	0.7
68.67196	0.4
69.03413	0.6
70.20341	0.6
70.20673	0.8
71.04991	2.6
75.26942	0.4
83.04987	6.8
85.02905	1.3
89.03929	0.7
91.05457	0.7
93.07041	0.5
95.04940	0.6
98.71455	0.4
98.97588	100.0
102.96910	0.5
103.00652	0.6
104.86674	0.5
107.04967	0.6
114.83533	0.5
116.98626	52.5
117.03358	0.7
119.01935	0.7
119.04926	1.7
121.01674	1.5
123.04424	1.9
128.04250	0.7
131.01898	0.5
134.99664	18.3
135.03345	0.4
135.04387	2.3
135.08098	0.8
135.22388	0.4
136.07578	3.7
140.00163	2.1
145.02835	1.2
147.04373	0.7
151.01555	1.3
153.00722	1.6
153.09106	0.6
156.97510	0.6
158.01242	3.1
163.02679	0.7
163.03922	6.2
165.05464	0.8
171.06583	0.6
172.04558	0.5
181.02603	25.1
181.04860	2.8
199.03659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03951	1.4
54.04725	0.4
55.01879	1.0
56.96570	7.6
57.03428	0.4
57.68827	0.4
65.03944	22.5
67.05158	0.6
67.05508	8.1
67.70235	0.3
68.99801	0.7
69.03439	1.4
69.07059	0.7
69.43590	1.6
71.95252	0.5
77.03931	1.7
79.05497	1.7
81.03419	1.0
81.07084	0.4
82.00583	0.5
82.04202	9.9
83.05000	0.4
83.95609	0.3
85.02910	12.9
93.03408	4.3
93.07044	0.4
95.01342	0.4
95.04967	3.3
97.02903	0.7
97.06539	4.7
98.97587	100.0
99.97890	0.4
105.04520	1.0
108.01417	0.5
108.02103	5.7
110.02932	0.7
110.03664	9.9
111.04446	3.7
116.98626	49.0
120.02113	0.4
121.03970	0.7
121.10101	1.0
123.00801	3.3
125.05997	5.1
127.00275	0.4
134.99655	14.1
137.02367	1.7
138.03133	6.7
139.03862	0.6
140.00197	4.4
142.02632	2.4
151.05049	0.5
153.00755	1.6
153.05476	10.7
158.01263	3.3
163.11307	0.4
171.05052	0.8
171.06534	15.6
181.04958	95.1
182.05267	1.3
182.75003	0.4
198.69151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
54.98629	0.4
56.96568	4.3
64.36946	0.4
65.03949	0.5
67.05524	0.7
71.95255	0.4
79.05495	2.7
85.65549	0.3
89.03922	11.8
91.05495	1.2
93.03419	0.6
95.04972	0.7
98.97585	63.4
107.04964	4.8
107.08571	0.4
111.04456	1.0
116.98624	38.1
117.03382	15.6
118.03819	0.3
119.04944	0.6
134.99661	15.0
135.04419	29.8
136.04758	0.5
139.03963	0.7
140.00175	2.0
145.02852	20.2
145.03839	0.8
146.03230	0.4
153.00714	1.1
153.09090	0.7
158.01236	2.2
163.03905	100.0
164.04248	1.2
181.04985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02380	0.5
52.69247	0.3
53.03957	0.5
54.04742	0.6
55.01870	0.9
55.05500	0.6
55.78141	0.4
56.96572	7.3
65.03945	20.1
67.05509	6.9
68.02671	0.3
68.99799	0.5
69.03429	1.7
69.07047	0.8
69.81258	1.3
71.95258	0.6
77.03915	1.2
79.05490	1.4
81.03415	1.5
82.04203	9.4
83.05010	0.4
85.02911	10.7
89.03909	0.5
91.05469	0.9
93.03416	5.3
93.07047	0.4
95.04973	3.1
95.74633	0.4
97.02923	0.8
97.06538	5.3
98.22749	0.6
98.97586	100.0
105.04543	0.6
107.04941	0.9
107.08556	0.3
108.02106	4.5
110.02937	0.6
110.03666	9.4
110.04424	0.5
111.04445	5.8
114.56105	0.4
116.98626	54.8
117.03321	0.7
120.01990	0.4
121.02861	0.5
121.04005	0.8
121.06483	0.5
121.08624	0.3
123.00790	3.3
125.06001	4.8
134.31850	0.4
134.99664	17.1
135.04425	1.2
135.08099	0.4
137.02359	1.5
138.03117	5.8
139.03899	4.3
140.00212	3.3
142.02596	3.0
145.02835	0.4
153.00714	1.4
153.05472	7.4
158.01260	3.1
163.03914	4.3
163.07516	0.4
163.08757	0.4
163.11201	0.5
165.11435	0.4
171.05055	0.8
171.06529	14.3
176.02426	0.4
180.13857	0.4
181.04956	77.6
182.05347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.05520	1.9
56.96543	1.1
57.07079	31.0
59.05000	2.4
67.05507	0.7
69.03454	0.9
69.07066	3.7
75.61488	0.5
77.03937	0.5
79.05500	7.1
81.02993	0.9
81.03416	5.7
81.07060	4.5
83.04986	53.6
91.05484	2.7
93.06506	0.8
93.07046	4.5
95.04973	16.8
97.06538	29.4
98.97588	12.6
105.07001	3.9
107.04977	2.6
107.08611	7.1
116.98639	6.6
117.07032	1.2
119.08589	2.3
121.06541	2.8
121.10151	10.3
125.06001	88.0
126.06335	1.1
130.07773	1.2
134.99658	1.8
135.11707	5.1
140.00235	0.8
145.10144	10.7
146.86287	0.6
158.01205	0.8
163.11191	100.0
164.11575	2.0
166.48093	0.6
181.12244	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.97288	0.6
53.03952	0.8
55.05508	1.5
56.96555	1.3
57.07079	32.6
58.07381	0.8
59.04995	3.0
63.76220	0.7
65.31667	0.7
67.05497	1.5
69.03437	1.0
69.07059	3.5
72.79685	0.6
76.77798	0.7
77.03945	0.8
79.05493	9.3
81.03417	5.5
81.07071	5.5
83.04985	58.1
91.05479	2.3
93.07045	5.1
95.04973	19.3
97.06537	29.2
98.22682	1.4
98.96980	1.3
98.97591	19.1
105.07041	4.4
107.04949	2.2
107.08598	7.7
116.98622	8.7
117.07014	2.1
119.08579	2.7
121.06490	3.4
121.10149	9.3
125.05996	93.5
126.06322	1.5
130.07805	2.4
134.99663	2.8
135.11703	4.3
140.00182	1.3
145.10130	10.3
148.08766	0.9
158.01253	1.1
163.11189	100.0
164.11581	1.7
181.12245	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01866	1.1
55.05513	2.4
55.42070	0.7
57.07077	28.6
59.04999	3.9
61.24739	0.7
67.05512	1.1
69.03429	0.8
69.07072	4.0
70.73180	1.3
79.05505	8.5
81.03429	6.4
81.07072	4.1
83.04983	54.9
91.05482	2.1
93.07036	6.3
93.08729	0.7
95.04975	19.4
95.05592	1.0
97.06535	30.4
98.97592	14.3
99.87344	0.8
105.07009	4.5
107.04957	2.3
107.08610	7.7
109.06504	1.0
113.07915	0.7
116.98626	9.3
117.07018	2.1
119.08596	1.5
121.06492	2.8
121.10146	9.7
123.08102	1.1
125.05994	85.6
126.06321	1.1
130.07800	2.0
134.99660	6.0
135.11696	3.3
140.00177	1.9
145.10115	7.8
158.01262	1.8
163.11183	100.0
164.11551	2.4
181.12231	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
52.39773	0.2
53.03955	0.5
55.09439	0.2
64.45040	0.2
65.03946	0.5
67.05499	0.4
75.06039	0.2
77.03914	1.2
79.05492	0.7
81.03438	0.3
81.07059	0.4
91.05487	3.2
93.05772	0.7
93.07047	2.8
94.06560	0.4
95.04978	1.8
98.97586	3.1
99.97944	1.1
104.24293	0.2
105.04531	0.5
108.04474	0.7
108.08125	2.5
116.98660	1.1
117.98965	0.5
122.06064	1.6
126.05541	1.2
136.07578	100.0
137.07964	1.4
140.07057	2.5
147.51945	0.2
164.07065	66.1
165.07475	1.1
182.08141	0.7
182.11757	0.5
182.19000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03926	0.5
55.30715	0.4
57.96349	0.4
59.49135	0.5
61.57777	0.4
63.17671	0.5
77.03909	0.6
82.20056	0.4
84.08144	1.9
91.05482	31.6
93.07041	0.5
95.04974	12.7
103.05473	1.3
105.04494	0.5
107.04935	0.8
109.06532	1.1
118.06549	1.3
119.04946	37.6
120.05275	0.5
121.06516	1.6
123.04432	48.3
124.04729	0.8
136.07578	100.0
137.05992	0.5
137.07959	0.7
143.78993	0.5
147.04408	18.1
165.05478	34.9
182.08136	3.7
182.11792	0.8
182.15419	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	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39773	0.2
53.03955	0.5
55.09439	0.2
64.45040	0.2
65.03946	0.5
67.05499	0.4
75.06039	0.2
77.03914	1.2
79.05492	0.7
81.03438	0.3
81.07059	0.4
91.05487	3.2
93.05772	0.7
93.07047	2.8
94.06560	0.4
95.04978	1.8
98.97586	3.1
99.97944	1.1
104.24293	0.2
105.04531	0.5
108.04474	0.7
108.08125	2.5
116.98660	1.1
117.98965	0.5
122.06064	1.6
126.05541	1.2
136.07578	100.0
137.07964	1.4
140.07057	2.5
147.51945	0.2
164.07065	66.1
165.07475	1.1
182.08141	0.7
182.11757	0.5
182.19000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47313	0.4
53.63937	0.3
56.96576	0.4
60.00624	0.3
66.66537	0.3
69.94736	0.3
70.03033	0.6
70.06581	0.5
79.57219	0.3
82.99835	3.7
84.08133	0.4
86.06076	0.4
86.09698	1.1
97.62025	0.3
98.97548	0.4
100.02463	0.5
101.00880	42.5
102.00962	1.5
110.09657	2.7
114.25346	0.3
119.01917	100.0
120.02007	2.7
121.02383	0.4
124.02435	3.7
124.99958	0.9
132.45587	0.4
137.02954	19.1
142.03499	25.3
143.01881	0.8
143.03618	2.2
160.04552	4.9
161.02954	12.8
161.04652	3.1
166.12352	0.4
179.04007	13.4
184.07365	1.4
184.13341	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00620	0.2
69.77658	0.8
82.99837	5.0
83.99917	0.2
100.27534	0.2
101.00878	48.9
102.00947	1.5
111.00449	0.4
119.01917	100.0
120.02003	2.6
121.02360	0.4
124.02454	4.0
125.02604	0.2
137.02951	17.1
138.03072	0.4
142.03496	26.8
143.01906	0.5
143.03630	2.2
160.04538	4.4
161.02959	13.7
161.04636	2.9
165.05011	0.3
179.04008	13.0
179.05544	0.5
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
54.00228	0.3
54.05225	0.3
58.51407	0.3
63.40802	0.3
69.92371	0.5
69.92697	0.6
75.01440	0.3
77.26748	0.3
77.60036	0.3
79.02109	0.2
82.11295	0.2
82.99837	4.8
101.00883	47.8
102.00930	1.6
110.61263	0.3
111.00484	0.4
119.01922	100.0
120.01991	3.1
121.02380	0.4
124.02452	4.0
137.01892	0.6
137.02965	16.1
142.03502	25.9
143.01985	0.6
143.03645	2.3
144.25455	0.3
160.04570	4.2
161.01604	0.6
161.02966	12.6
161.04640	2.8
179.04019	13.0
179.05630	0.9
185.82343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
60.08167	17.3
69.10067	5.7
71.07372	7.4
74.72184	0.8
74.77592	0.8
86.09707	79.3
93.85047	1.1
98.98474	11.7
101.00883	1.6
101.95033	17.5
101.97189	1.6
102.00979	0.7
102.96915	4.2
104.10735	2.5
119.01927	3.5
119.96052	9.5
120.01997	1.5
120.97906	4.0
125.00002	64.5
126.91841	0.9
137.97087	3.9
138.99008	1.5
142.03442	1.2
143.03629	2.6
160.98683	1.9
161.04716	4.3
162.00533	0.9
174.98604	0.8
178.99774	1.2
179.05782	1.6
184.07350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.23854	0.7
56.05029	1.3
58.06581	0.8
60.07869	1.1
60.08161	15.9
67.34251	0.8
67.36671	0.8
67.61526	0.7
69.96171	2.6
71.07368	8.3
77.28938	0.8
83.89988	0.8
86.09702	80.8
98.98459	13.4
101.95029	15.2
102.96866	3.0
104.10720	3.5
119.01905	3.4
119.96067	7.4
120.02020	1.0
120.97919	1.7
125.00002	63.3
137.97107	3.2
138.98969	1.0
142.03481	1.3
142.97681	1.7
143.03561	2.3
160.98729	2.2
161.04741	4.4
178.99713	1.0
179.05779	1.8
180.39693	0.8
184.07344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40554	29.4
69.95334	100.0
76.00051	30.1
79.65340	30.5
89.20858	39.0
107.83825	32.7
108.71159	28.9
130.25192	28.2
137.77649	38.1
140.00203	32.3
159.10298	30.3
185.03293	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	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01871	12.9
57.03435	1.5
60.92996	0.3
63.02388	0.3
65.03917	0.4
67.05504	9.8
69.03423	0.5
72.08163	0.4
79.05497	2.5
81.07052	3.1
83.04987	0.4
85.02880	0.6
86.09673	0.5
89.03906	2.6
91.05481	2.1
93.07050	3.0
95.04964	9.1
95.08606	0.6
97.02884	2.5
97.06555	0.4
101.07542	0.3
102.96878	2.5
105.04482	0.3
107.04962	0.6
107.06110	0.3
107.08559	0.3
109.06521	1.3
111.04443	2.3
111.08082	1.1
113.02377	1.4
115.71468	0.3
117.03384	4.4
117.71268	0.3
119.04949	0.5
120.02053	0.6
120.97913	1.5
121.00735	0.3
121.06506	4.6
121.07499	0.5
123.04429	100.0
124.04763	1.0
125.05990	1.0
129.05452	0.6
130.06555	0.3
137.05975	6.1
138.98947	0.6
139.07549	2.1
139.91373	0.3
145.02840	6.4
149.05994	4.9
149.07091	0.6
153.05482	1.1
158.06035	1.3
167.07005	2.7
167.10562	0.4
185.08145	0.9
186.05528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	Genipic acid
Peak:m/z	Relative Intensity
50.57616	0.3
53.03949	0.4
55.01870	13.2
55.05504	0.8
57.03440	1.5
60.95834	0.3
62.19196	0.3
65.03953	0.7
67.05505	12.0
69.03421	1.3
70.02766	1.1
79.05484	4.0
81.07059	3.2
83.04980	0.7
84.47284	0.3
84.84859	0.4
85.02892	0.8
86.09682	0.6
89.03938	1.8
91.05460	1.7
93.07037	3.3
95.04967	8.8
95.05968	0.4
95.08599	0.3
97.02890	2.4
97.06554	0.5
97.10201	0.4
98.22772	0.4
100.23745	0.3
102.00976	0.7
102.96867	3.9
107.04931	0.7
107.06068	0.8
109.06508	1.1
109.74335	0.3
111.04435	2.2
111.08063	0.6
113.02387	0.9
113.85571	0.3
117.03391	2.9
119.01897	0.4
119.04962	0.5
120.02016	1.7
120.97911	3.9
121.00820	0.3
121.01656	0.7
121.06498	3.6
121.07587	0.7
123.04427	100.0
124.04761	1.1
125.06001	0.9
131.06049	0.4
137.05983	4.7
137.07036	0.5
138.98970	1.6
139.01857	0.5
139.07550	2.1
140.07127	0.3
142.34645	0.3
145.02846	3.9
149.05997	3.8
149.07127	0.8
149.09552	0.3
153.05478	0.9
158.06042	0.8
163.01787	0.6
167.07036	2.2
167.08267	0.7
181.02872	0.9
185.08083	1.0
186.05496	1.2
196.13417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24541	0.4
52.70049	0.3
53.26353	0.3
56.05042	0.6
56.96579	0.5
58.06599	10.6
60.95863	0.5
64.16302	0.3
67.05531	0.5
69.03432	0.4
70.06596	1.0
70.88275	0.5
84.08142	5.3
86.09702	2.0
87.10056	0.6
93.07035	0.4
95.04958	0.4
97.07677	1.8
98.08434	1.6
101.00887	1.8
101.72677	0.4
102.00945	5.1
102.96875	4.1
103.00644	2.0
109.30009	0.4
111.09332	0.4
119.01909	6.0
120.02010	15.6
120.97897	2.9
121.00805	0.7
121.01646	4.5
122.06014	0.5
125.07140	1.3
125.10741	2.4
137.02936	1.6
138.03058	4.1
138.98941	1.5
139.01788	0.4
139.02713	1.2
142.01720	0.4
142.03500	1.0
142.08617	0.5
143.03618	4.5
144.03255	2.7
153.10228	63.3
154.10614	0.6
161.04646	1.2
162.03076	1.7
162.04333	2.9
163.01830	1.1
167.08177	0.4
168.06538	0.5
179.03923	0.5
180.04118	2.5
180.05504	0.7
181.02878	1.1
185.12848	100.0
186.13126	0.9
192.96234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84307	0.1
68.05027	0.3
69.07083	0.1
69.79245	0.5
70.06593	100.0
71.06920	0.5
82.70116	0.1
89.29157	0.1
98.09757	0.2
98.23425	0.3
103.00638	0.2
120.68579	0.2
121.00821	0.5
121.01681	0.5
135.06990	0.2
139.01828	0.3
140.14314	0.4
145.02852	0.2
146.38593	0.2
162.28802	0.2
163.01810	1.5
168.13843	3.6
181.02832	1.3
186.14880	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	187.1079
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
55.01870	6.9
55.05513	5.6
56.05039	0.9
58.06577	0.4
67.05510	2.0
70.02931	0.5
70.06586	1.1
71.04985	0.7
71.98547	0.4
72.08142	2.6
79.05488	2.6
81.07059	21.7
82.06563	0.6
83.08616	12.4
84.04495	1.5
84.08154	2.5
85.06554	3.8
88.02225	2.1
91.05463	0.8
96.08102	0.5
98.09700	20.9
98.97609	0.4
103.05469	2.3
108.08105	3.5
109.06513	3.9
116.98552	0.4
118.06538	2.8
122.01170	0.4
123.08130	0.4
124.07632	0.7
124.19265	0.4
125.07158	0.6
126.09158	32.1
127.07543	1.2
127.12280	0.4
128.07045	0.5
131.04897	2.6
139.01764	0.5
142.08607	0.5
143.07295	1.0
144.08055	1.1
145.26108	0.5
145.96588	0.5
146.06004	5.5
151.07564	0.7
151.08681	7.1
152.07182	0.4
159.04422	4.8
159.06978	1.2
163.97748	0.9
164.02179	0.9
169.09724	100.0
170.05978	0.7
170.10068	1.1
170.11789	1.3
181.02907	0.5
182.03284	0.8
187.10771	11.4
187.12485	0.4
187.14369	1.1
188.07094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68778	0.3
69.41402	0.7
69.41805	1.1
74.16816	0.3
77.21689	0.3
87.68613	0.4
90.67205	0.3
91.05468	3.7
91.05901	0.3
103.05435	0.4
115.05448	4.7
117.05759	0.9
117.07023	4.2
118.06541	59.7
119.06877	0.8
132.08087	0.5
142.06532	5.9
143.07310	9.4
144.04456	0.7
144.08083	22.1
145.06453	0.7
146.06004	100.0
147.06355	0.8
155.06003	1.2
160.07555	1.0
170.06006	8.3
188.07063	26.6
196.34512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.64742	0.3
59.45519	0.3
67.01802	0.3
70.25556	0.3
70.93638	0.5
91.05477	3.2
115.05447	4.3
117.05769	1.1
117.07013	3.3
118.06548	58.8
119.06893	0.4
123.26057	0.3
132.08102	0.7
142.06538	5.1
143.07315	10.4
144.04478	1.2
144.08095	22.7
146.06013	100.0
147.06369	0.8
155.06046	1.3
160.07579	0.9
170.06018	8.1
188.07080	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.07071	1.5
59.40856	0.3
60.04559	0.3
69.37521	1.2
69.37933	0.5
84.65947	0.3
86.06080	1.2
86.09705	100.0
87.10047	0.6
116.10749	0.9
128.10716	39.6
142.12234	0.5
146.11760	19.1
170.11758	24.6
188.12857	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	188.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
57.07077	60.0
60.76461	0.9
62.06091	100.0
67.05500	3.8
69.52916	1.7
69.53335	2.8
70.06594	1.6
98.06099	1.2
106.96554	1.1
107.84896	0.8
109.10187	4.7
117.07087	1.0
118.00240	1.0
118.06539	14.8
127.11198	10.7
128.07040	1.8
129.48886	0.9
142.06503	1.2
143.07333	2.5
144.08072	5.0
146.06009	23.9
146.07996	1.0
146.91837	3.0
164.93004	1.0
170.06120	2.3
170.15424	5.0
171.13811	14.4
188.07028	7.2
188.09184	2.4
188.10699	0.9
188.14471	0.9
188.16422	5.3
188.20033	1.3
189.09001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
57.07078	53.5
62.06091	100.0
67.05508	2.6
69.18622	0.3
70.06598	0.4
71.32923	0.3
88.02206	0.4
98.06052	0.4
104.90816	0.7
109.10157	4.0
118.06580	0.6
124.97559	0.4
127.11198	10.2
128.07056	1.2
130.08553	0.4
145.08900	0.4
146.05992	1.1
146.08095	0.8
146.91846	1.8
160.07494	0.5
164.48730	0.4
164.92863	0.7
170.06342	0.6
170.15379	5.5
171.13803	13.2
173.08330	0.4
188.07094	0.5
188.09091	1.4
188.10675	0.9
188.14825	0.6
188.16435	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63059	0.5
59.05008	3.3
60.05643	1.9
64.95538	0.6
67.05496	0.6
69.32180	1.1
69.32568	1.6
70.06596	7.7
79.05501	6.6
81.07050	2.1
84.84209	0.5
88.02006	0.5
90.01786	0.6
91.05478	7.4
93.07065	1.1
95.04965	0.7
96.17497	0.6
105.07037	2.7
106.96553	2.4
109.06528	9.0
111.08070	1.3
112.10126	0.6
115.05477	3.3
117.07027	3.1
119.04926	2.0
119.08585	1.5
121.06535	0.8
124.97583	2.2
128.06226	3.4
129.06097	1.0
129.07010	14.8
130.07794	0.8
130.08644	2.1
131.04933	8.2
131.08585	4.6
133.06471	1.7
134.07027	0.6
137.11026	0.5
141.07001	4.1
142.07790	35.5
142.98634	1.7
143.08539	2.3
145.06471	1.5
147.08003	0.9
155.08580	3.3
157.10138	16.0
158.07259	1.9
159.08080	7.3
159.11763	1.2
160.08791	0.7
169.07672	1.2
173.09648	0.8
174.10431	3.4
189.12741	100.0
190.13013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1347
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
57.04561	8.8
59.53408	0.5
60.05650	4.5
60.08161	7.4
67.05506	0.5
69.24095	2.7
70.06593	100.0
71.05001	1.6
71.06914	0.4
72.08160	6.2
74.07204	33.0
84.08143	28.8
84.08661	1.0
86.09705	0.9
88.07638	1.0
91.85707	0.4
96.72195	0.4
97.07652	0.8
98.06057	0.5
112.08730	3.2
115.06225	0.4
115.08694	6.7
116.07094	37.3
126.10272	1.3
130.08635	18.0
133.09734	3.6
143.11716	0.5
144.11314	16.8
144.13794	1.0
153.11046	0.9
158.09248	7.9
171.12318	1.5
172.09441	0.3
172.10814	8.4
189.13464	48.9
189.15936	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	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99074	0.9
55.05510	0.6
56.96574	0.5
57.07077	17.8
59.99117	2.9
62.99089	0.6
63.33512	0.4
69.86588	1.7
74.81744	0.6
78.00156	29.9
86.09713	8.6
87.04477	0.6
88.02212	0.9
92.01693	0.8
103.87649	0.5
111.55454	0.6
115.18517	0.5
134.06357	37.2
135.06670	0.6
148.07886	2.2
149.02315	2.8
190.12604	100.0
195.23364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	Oospolactone
Peak:m/z	Relative Intensity
56.96550	3.5
58.82461	1.9
63.58997	2.3
66.04718	3.6
79.05473	4.4
80.94801	2.3
90.04698	11.0
91.05472	7.1
95.01955	2.2
102.04691	25.4
103.05468	63.6
105.07030	7.4
107.04961	2.5
109.98785	2.3
117.07013	6.8
118.04159	64.5
118.06461	2.2
119.04969	4.2
120.05715	3.0
120.08045	2.6
121.06485	2.3
129.74341	2.2
130.04146	59.5
131.04941	61.5
133.02832	8.1
135.08072	3.0
145.06493	4.4
145.07587	5.1
146.03625	9.8
146.06041	3.7
147.04410	15.3
148.05185	19.1
149.01219	5.5
149.09665	2.7
158.03630	5.6
163.07521	4.7
170.00272	2.2
173.05974	13.8
176.04697	72.5
191.07019	100.0
191.11832	13.6
191.14304	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05512	3.7
57.03442	1.2
57.07060	1.4
59.05006	2.9
67.05516	3.9
69.03426	2.5
69.07072	5.4
71.04997	1.7
71.24367	0.9
77.03931	1.0
79.05489	6.8
81.07071	7.6
83.04997	2.6
83.08619	2.2
85.06540	2.3
91.05482	13.9
93.07053	11.4
95.04979	3.1
95.08606	6.9
97.06521	7.5
99.08130	0.8
105.07038	36.3
107.08601	21.9
109.06544	4.6
109.10194	5.4
111.08081	1.0
115.05492	0.9
116.06205	0.8
117.07001	4.9
118.07778	0.9
119.08596	19.2
121.06509	3.3
121.10157	15.2
123.08065	4.6
129.06969	3.7
130.07809	1.7
131.08574	34.0
133.10133	100.0
134.10486	1.4
135.08061	10.1
135.11697	3.3
143.08566	6.8
144.09309	3.1
145.10130	19.5
147.08028	1.0
147.11707	11.9
149.09642	6.8
149.13261	19.7
158.10918	14.1
163.11211	2.2
163.14807	3.3
171.11629	1.1
173.13268	56.6
176.11884	1.0
191.14316	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.86121	1.0
55.05512	5.2
57.03431	3.5
57.07071	2.6
59.04985	3.3
66.85571	1.0
67.05495	4.5
69.03414	4.9
69.07066	6.9
69.39959	4.2
71.04981	2.2
71.08624	3.0
79.05492	7.6
81.07057	8.1
83.04974	2.4
83.08614	2.4
85.06550	2.9
91.05473	14.2
93.07037	11.3
94.45781	1.2
95.04977	4.0
95.08607	8.2
97.06544	7.2
99.08098	2.4
99.43894	1.0
102.74554	1.0
103.05426	1.2
105.07028	37.5
107.04929	1.5
107.07927	2.0
107.08598	26.6
109.06517	5.8
109.10178	6.4
111.08062	1.1
115.60345	1.1
117.07017	4.8
118.07784	1.1
119.08577	17.4
121.06485	4.9
121.10144	18.8
123.08058	4.9
123.11743	1.5
129.07036	2.8
131.08569	34.1
133.10127	100.0
135.08061	16.5
135.11714	3.7
137.09650	1.3
143.08571	8.0
143.34042	1.2
144.09302	3.2
145.10121	18.5
147.11691	12.2
148.08754	1.9
149.09618	4.9
149.13263	20.9
150.10374	3.2
158.10901	11.9
161.09644	1.2
163.11209	2.0
163.14790	3.0
173.13263	57.3
174.13622	1.4
191.07021	1.5
191.14308	55.1
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
53.03947	2.0
55.01874	1.1
55.05511	8.5
55.92979	0.7
56.32809	0.7
57.03434	1.3
57.07069	2.3
59.04985	0.7
65.03947	1.1
67.05502	7.9
69.03429	25.7
69.07073	6.0
69.30663	1.3
69.31076	3.1
71.04988	1.0
77.03928	2.5
79.05495	37.6
81.07059	36.6
83.04980	10.4
83.08619	1.2
85.06541	1.6
91.05484	16.7
93.07048	14.5
95.04967	4.8
95.08602	5.9
97.06531	1.6
103.05467	1.5
103.84721	0.9
105.04514	1.4
105.07030	19.3
107.04955	23.1
107.08595	55.9
108.09438	1.0
109.06562	4.6
109.07183	1.1
109.10161	9.7
111.08084	1.4
115.05480	1.4
116.06239	0.7
117.07020	3.9
118.07834	1.1
119.06079	2.3
119.08593	6.1
121.06493	8.9
121.10141	18.0
122.07296	3.3
123.08061	3.3
129.07019	2.1
131.08574	10.4
133.10129	100.0
134.10513	0.9
135.08052	8.4
135.11665	4.5
136.08844	1.0
137.09624	21.5
143.08554	3.4
145.10130	6.6
147.11678	4.7
149.09586	4.2
149.13258	15.7
149.15041	0.9
155.08594	1.1
158.10905	4.9
161.09677	1.7
163.14780	3.5
173.13254	17.0
191.03412	1.8
191.07056	1.0
191.14305	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
52.25698	0.6
53.03721	0.5
53.03947	2.1
54.08178	0.5
55.01863	1.0
55.05515	8.0
57.03468	0.5
57.07067	2.6
59.04997	1.3
65.03941	1.8
67.05502	7.9
69.03431	25.8
69.07057	5.2
71.04996	1.0
77.03930	2.0
79.05493	40.9
81.03429	0.8
81.07056	39.6
83.04980	12.1
83.08614	1.7
85.06541	2.9
91.05476	16.7
92.81759	0.5
93.06443	0.9
93.07039	16.9
95.04961	4.9
95.08606	6.7
97.06537	2.7
103.05470	2.0
105.04517	1.5
105.07029	18.9
107.04957	25.4
107.08593	59.0
109.06519	5.2
109.10146	7.8
110.07294	1.3
111.08068	2.1
115.05460	1.9
117.07015	3.6
118.04198	0.7
118.07800	0.8
119.06075	1.3
119.08585	5.9
121.06498	8.5
121.10144	17.3
122.07259	4.3
123.08064	4.3
129.06993	1.7
131.04953	0.7
131.08569	11.5
133.10126	100.0
134.10426	0.9
135.08047	10.3
135.11685	3.3
136.08839	1.0
137.09612	24.1
143.08560	3.2
144.09305	1.0
145.10136	5.9
147.08054	0.7
147.11688	5.1
148.05182	0.7
149.09598	4.2
149.13260	11.5
150.10390	0.6
158.10886	7.2
161.09607	1.7
163.07545	1.1
163.13466	0.5
163.14781	2.8
173.13254	17.8
176.12000	1.1
191.06998	0.9
191.14302	61.4
192.14735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03955	1.8
53.70468	1.3
55.05505	5.5
57.03444	2.1
57.07071	2.4
58.41784	1.3
59.04998	1.6
61.09317	1.4
67.05509	6.9
69.03433	19.4
69.07068	6.9
69.20130	8.6
71.05006	2.1
79.05499	28.4
81.06631	2.2
81.07064	30.6
83.04969	8.5
83.08617	2.3
85.06544	1.5
90.82729	1.2
91.05480	16.3
91.08557	1.2
93.07052	16.3
95.04960	6.4
95.08622	8.3
97.06540	2.6
103.05478	7.8
105.04549	1.9
105.07037	17.2
107.04946	19.7
107.08599	49.0
109.06507	6.2
109.10164	10.9
114.08433	1.4
115.05456	2.3
117.07008	4.1
118.04205	2.7
119.08581	5.0
121.06518	9.7
121.10147	22.3
122.07317	2.1
123.08073	4.7
131.00146	1.5
131.04924	4.1
131.08553	11.8
133.10136	100.0
134.03249	1.3
135.08060	11.9
135.11691	6.5
137.09642	19.7
143.08531	3.4
144.09384	2.2
145.10136	12.1
147.11673	6.7
148.05164	3.3
149.01224	2.7
149.09628	4.0
149.13277	17.4
158.10931	5.7
163.07567	7.0
163.11151	2.2
163.14835	4.5
173.09698	3.9
173.13268	25.0
176.04620	1.7
191.03381	4.5
191.07050	9.2
191.10632	7.0
191.14311	66.2
191.17914	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
55.05518	6.8
57.03439	1.4
57.07071	2.2
58.95959	1.0
67.05511	5.8
69.03072	1.3
69.03434	20.7
69.07064	5.9
70.50967	1.3
71.05019	1.1
77.03932	1.3
79.05490	26.0
81.03421	1.3
81.07057	24.5
83.04993	8.9
83.08614	2.6
85.06544	1.8
91.05466	12.8
93.07059	11.9
95.04977	3.9
95.08599	5.3
97.06523	2.4
103.05466	1.8
105.07036	17.9
107.04957	15.4
107.08593	46.9
109.06502	5.3
109.10134	8.4
115.05475	1.6
117.07008	2.5
119.06071	1.8
119.08605	6.3
121.06497	6.5
121.10151	18.0
122.07287	5.0
123.08055	4.2
130.07802	1.3
131.04936	1.4
131.08588	11.5
133.06499	1.7
133.10130	100.0
135.08063	10.7
135.11658	5.7
137.09625	22.0
143.08574	3.3
145.10129	5.4
147.11693	4.2
149.01248	1.4
149.09607	4.3
149.13243	9.5
158.10912	5.6
161.09763	1.4
163.07503	1.4
163.11273	1.2
163.14828	3.2
173.13280	18.0
191.10538	2.4
191.14314	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.065
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
53.44587	0.3
61.49418	0.2
63.08749	0.2
74.71508	0.3
91.05471	0.5
98.22595	0.6
105.70650	0.3
118.06546	3.6
118.64119	0.2
123.43822	0.3
133.05173	0.3
146.06003	100.0
147.06337	1.1
156.05528	0.2
177.74022	0.2
192.06532	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	192.0655
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
51.34809	0.2
51.48922	0.2
59.69804	0.2
69.94419	0.5
91.05473	0.8
101.41917	0.2
108.19412	0.2
117.05753	0.4
118.06544	5.5
128.04965	0.4
133.05249	0.3
143.15363	0.2
146.06004	100.0
147.06337	1.1
156.05504	0.3
192.06564	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	192.0868
Annotation	Calystegine C1
Peak:m/z	Relative Intensity
51.62984	0.5
53.03948	2.3
55.05506	1.1
55.35944	0.5
56.05040	0.6
57.03420	0.5
58.06617	0.8
59.04999	3.1
60.04526	1.0
65.38532	0.5
68.05034	7.5
69.03439	1.3
70.06608	1.2
70.31223	0.9
70.31559	0.9
72.04601	0.6
73.02913	0.9
74.02439	4.0
81.07053	0.6
85.02890	0.6
86.06073	4.1
87.04456	1.0
88.03993	49.5
96.04492	100.0
97.02899	14.6
98.09702	9.4
100.07613	2.8
101.06004	0.6
111.04425	0.5
111.82504	0.5
114.05528	86.1
114.09160	1.1
115.05927	0.6
116.10746	2.4
128.07083	8.0
129.05472	2.0
132.06570	25.6
142.04927	0.7
146.06125	0.8
146.08119	11.2
155.01860	0.8
156.06555	38.8
156.13841	3.5
160.06033	0.6
174.07631	16.4
174.14911	11.6
192.08682	7.9
192.15959	14.6
192.17430	0.4
194.32185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1384
Annotation	DEET
Peak:m/z	Relative Intensity
55.83133	0.3
58.25001	0.3
59.80526	0.3
65.03933	0.5
69.13548	0.3
72.04514	6.4
72.08147	0.7
91.05477	6.6
100.07614	6.1
108.24328	0.4
109.06518	7.8
119.04939	100.0
119.05994	4.1
120.05291	1.1
138.03415	1.0
146.06070	0.4
192.13820	52.3
192.17496	1.0
193.14136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03940	5.5
53.68074	0.9
55.01869	3.3
55.05507	9.5
55.17113	0.9
55.88649	0.9
57.03436	39.1
59.04995	2.2
65.03942	3.1
67.05505	24.0
69.03426	3.0
69.07066	2.9
71.04976	1.2
71.45866	1.0
71.46220	1.1
72.04517	1.3
75.04491	1.6
76.25874	0.9
77.03922	1.5
79.05498	19.0
81.03416	100.0
81.07053	13.6
83.04971	3.6
83.08624	14.7
85.06531	3.1
91.05476	38.0
92.05843	1.2
93.07045	29.2
93.07608	2.0
95.04966	39.3
95.08601	3.7
97.02873	1.1
97.06522	1.5
99.08083	1.0
100.07630	1.2
103.05475	2.5
104.54800	1.1
105.04520	2.3
105.07027	31.6
105.07737	1.6
107.04962	8.6
107.08603	5.8
109.06479	6.5
109.10167	4.5
110.06874	1.9
111.08073	1.9
115.05457	4.0
117.07016	5.0
119.04933	13.8
119.05790	1.2
119.06146	1.3
119.08577	37.1
119.44646	0.9
120.05274	27.1
120.06291	1.3
121.06499	22.9
121.10149	4.5
123.08141	1.0
129.07007	8.6
131.08563	6.5
133.06480	15.3
133.10121	15.7
135.08054	2.7
137.09608	12.4
142.07767	4.4
143.06039	1.2
145.06514	1.7
145.10078	1.5
146.07246	4.9
146.25323	1.0
147.08052	14.2
147.11674	21.4
149.09561	3.7
157.10143	8.8
160.08861	1.5
161.05954	8.8
165.12753	1.6
175.11191	25.2
193.08554	2.5
193.12256	13.7
193.14182	18.8
194.15401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03953	6.6
55.01872	3.8
55.05512	11.2
57.03444	3.5
59.04996	1.7
61.98257	1.3
65.03941	2.6
65.88420	1.5
67.05507	48.6
67.05867	2.8
69.03429	4.7
69.07069	10.1
71.04993	8.3
77.03924	2.8
79.05496	50.1
81.03420	97.9
81.07063	31.0
83.04983	7.6
83.08623	14.8
85.02901	3.2
85.06553	2.2
91.05483	87.2
93.06448	2.6
93.07048	54.7
95.04970	49.7
95.08614	5.0
97.02917	2.1
97.06512	8.9
103.05457	2.1
105.04517	4.1
105.07037	53.9
107.04946	12.9
107.08595	7.5
109.06523	9.5
109.10146	4.4
111.08074	5.2
113.05975	2.6
115.05454	4.7
116.06277	2.2
117.07027	1.4
119.08591	27.1
121.06493	3.4
121.10149	5.8
123.08060	2.3
128.06250	2.3
129.07004	20.7
131.08569	26.7
133.06493	13.7
133.10135	100.0
135.08080	2.2
135.11722	4.7
137.09586	3.2
142.07793	6.2
147.08025	7.2
147.11688	37.5
149.09619	31.6
151.07556	1.9
151.11215	2.4
157.10129	36.3
161.05960	9.3
165.12790	2.8
175.11194	38.3
175.14809	5.3
193.05014	2.6
193.08586	5.3
193.12251	43.5
193.15907	2.6
194.15283	1.6
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
51.01955	0.4
51.02391	0.4
53.03955	0.6
55.05513	6.7
57.03433	0.5
57.07077	4.2
59.04995	1.5
65.03944	0.5
66.92671	0.4
67.05508	10.0
69.03428	0.6
69.06709	0.7
69.07072	10.7
69.35657	2.0
71.04996	0.6
79.05515	3.1
81.03422	8.1
81.07061	7.7
83.04994	1.2
83.08633	3.2
85.06541	1.8
91.05486	8.1
93.07049	8.4
95.04966	3.6
95.08607	24.9
98.23428	0.9
99.08074	0.5
103.05460	0.9
104.36337	0.4
105.07036	17.7
107.08604	8.2
109.06522	2.0
109.10165	22.4
111.08098	0.6
115.05484	0.8
117.07005	1.5
119.08585	57.3
120.09537	0.4
121.10157	3.8
123.08057	1.7
123.11698	1.3
126.19274	0.4
131.08574	1.9
132.09291	0.5
133.06479	1.5
133.10132	67.8
134.10892	1.4
135.11694	17.4
137.09608	7.2
142.07753	0.4
145.10121	5.1
146.10933	0.7
147.08035	0.6
147.11685	16.6
149.09682	0.7
149.13255	5.9
151.11163	0.5
151.14818	5.2
154.78908	0.5
157.10172	0.5
159.11694	0.7
160.12459	3.1
161.06009	1.0
173.13248	1.3
175.14825	100.0
176.15173	1.1
193.08597	0.8
193.12234	1.1
193.15883	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03913	0.4
53.09589	0.4
55.05510	3.8
57.07024	2.8
57.07313	1.1
59.04951	1.8
67.05505	7.7
67.14239	0.6
69.03395	0.5
69.07074	8.2
69.38625	2.0
69.39037	0.9
79.05486	2.7
81.03371	2.3
81.03790	0.5
81.07055	6.2
83.04922	1.1
83.08622	2.8
85.06490	1.5
91.05482	11.4
93.07044	6.7
95.04932	1.2
95.08606	19.9
98.22702	1.0
103.05421	1.0
103.49724	0.5
105.07026	13.7
107.08594	6.9
107.52039	0.5
109.06508	1.1
109.10161	18.2
115.05423	0.8
117.06993	2.1
119.08583	50.0
120.09399	0.6
121.10162	4.5
123.08031	2.0
123.11639	1.6
131.08531	1.8
133.06465	1.5
133.10130	65.3
134.10939	1.2
135.11696	15.3
137.09630	7.0
145.10121	4.4
147.11688	16.3
149.13278	4.8
151.14828	4.5
160.12489	2.9
161.05960	1.1
167.06770	0.5
173.13297	0.9
175.14824	100.0
176.15201	0.8
177.78548	0.5
183.89046	0.5
193.08636	1.0
193.15901	18.6
197.74498	0.5
212.77225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05308	0.5
55.05506	4.6
57.07085	3.3
59.04994	0.6
62.21657	0.5
67.05507	7.8
69.07072	8.1
79.05496	3.1
81.03401	0.8
81.07058	5.4
83.08615	3.2
85.06513	1.5
91.05476	6.8
93.07043	6.5
95.04966	0.6
95.08604	21.9
105.07030	13.0
106.06524	0.7
107.08591	5.7
109.06514	1.0
109.09433	1.3
109.10158	21.0
117.07021	1.4
119.08582	53.1
120.09364	0.6
121.10169	4.1
123.08006	2.4
123.08829	0.6
123.11678	1.4
131.08546	1.2
133.10129	67.0
134.10855	0.7
135.11685	14.2
137.09630	7.5
145.10115	4.4
147.11681	16.3
149.13237	5.5
151.14839	4.8
155.61816	0.5
159.11617	0.7
160.12456	3.5
160.92703	0.7
173.13254	1.4
175.14818	100.0
176.15163	1.5
193.15883	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05508	3.5
57.07072	1.2
60.58706	0.8
67.05499	3.4
69.07079	5.7
69.22395	5.3
71.04989	4.0
79.05517	4.9
81.03412	1.0
81.07054	9.8
83.08635	1.1
85.06534	1.7
91.05495	5.3
93.07044	11.5
95.05001	2.1
95.08604	12.3
97.06533	2.1
98.00380	0.9
99.08097	2.1
103.05446	1.3
105.07034	14.9
107.08599	27.3
109.06512	3.3
109.10163	19.1
113.09629	1.3
117.07062	1.0
119.08583	24.7
121.10139	4.0
123.08047	3.7
123.11720	5.8
131.08553	1.7
133.06502	2.9
133.10132	100.0
135.11694	60.1
137.09616	3.7
147.11662	5.4
161.06003	3.7
175.14825	55.7
182.21375	0.9
193.08502	1.2
193.15883	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28217	44.0
71.20046	48.9
71.53069	48.1
73.31618	41.2
78.84613	46.0
87.57166	44.9
96.17246	55.5
157.71164	46.5
186.64320	48.9
194.03297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
63.02369	0.5
66.81894	0.4
69.67651	1.7
69.68007	0.6
78.04729	0.6
81.03407	1.0
84.06920	0.6
89.03922	16.5
91.05482	1.7
93.03430	0.8
95.38924	0.5
95.80817	0.5
100.43027	0.5
103.05482	0.9
106.04188	1.4
117.03380	40.0
121.06469	0.9
134.02710	0.5
134.03641	5.9
135.04428	4.2
145.02849	80.7
146.03172	0.8
149.05981	17.0
149.62117	0.4
153.05501	0.6
162.03128	1.9
163.03906	7.0
177.05472	100.0
178.05843	0.9
186.05492	0.7
195.06532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36204	0.4
58.79688	0.4
69.78672	1.4
77.03915	0.4
78.04671	0.5
79.05498	0.5
80.46604	0.3
89.03916	16.7
89.06097	0.4
91.05482	1.2
93.84795	0.4
95.04990	0.5
103.05489	0.7
106.04160	1.2
107.04937	0.5
111.04410	0.4
112.22771	0.4
117.03371	38.4
119.04990	0.6
121.06493	0.9
124.05154	0.4
125.06043	0.6
134.03624	5.1
135.04391	4.1
145.02840	77.4
146.03207	0.6
149.05969	16.9
149.07164	0.9
153.05457	1.0
162.03123	1.6
163.03905	5.9
177.05458	100.0
178.05788	1.2
186.05334	0.5
195.06493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Enalin A
Peak:m/z	Relative Intensity
53.03948	6.4
55.01884	10.9
55.05516	2.1
59.17843	1.8
65.03946	5.8
67.05518	12.7
69.03437	5.4
70.68694	1.7
71.01350	4.1
71.04971	2.9
77.03951	9.7
79.05495	65.6
81.03416	20.5
81.07062	21.2
83.01348	2.2
83.04991	7.3
89.03915	5.9
89.06047	2.2
91.05482	16.7
93.03426	6.1
93.07042	20.3
93.07532	2.1
95.01312	8.9
95.04972	100.0
95.08641	2.2
97.02879	10.3
97.06549	3.1
103.05463	23.0
104.96017	1.6
105.03388	6.0
105.04515	9.7
105.07050	5.6
106.55992	1.5
107.04955	71.2
107.08628	3.9
109.02878	76.8
109.06534	9.0
111.04503	3.3
117.03381	14.7
117.06963	1.7
119.04988	2.4
119.08543	2.2
121.05705	3.1
121.06518	30.2
121.10218	1.9
123.04415	22.1
123.08094	2.8
125.02371	13.0
125.05988	19.5
127.03903	5.8
130.96323	2.1
131.04930	8.8
131.08559	2.1
133.02849	4.8
135.04437	12.6
135.08035	2.9
145.02849	30.5
148.97369	1.8
149.05978	36.1
151.03909	81.1
153.04233	3.9
153.05470	60.0
159.04404	8.7
163.03923	3.5
163.07660	3.3
167.07079	1.7
171.98926	2.6
177.05482	48.7
194.15376	4.0
195.06532	7.7
195.10190	3.1
195.15791	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
63.02370	0.6
69.42274	1.2
69.42674	1.0
69.62504	0.4
75.61718	0.5
77.03918	0.5
81.03394	0.8
89.03918	17.3
89.04467	1.0
91.05489	1.7
95.04946	0.5
103.05479	0.8
106.04182	1.9
117.03381	42.1
121.06529	0.9
122.77899	0.5
124.24207	0.5
134.03647	6.4
135.04427	3.6
145.02849	80.3
146.03177	1.0
149.05988	18.5
149.07182	1.1
162.03125	1.7
163.03918	7.1
177.05469	100.0
178.05801	1.5
183.64072	0.5
195.06482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
58.49026	0.3
63.02392	0.6
65.03918	0.4
77.03886	0.3
78.04704	0.9
89.03913	17.8
91.05491	1.4
93.03424	0.4
93.07042	0.4
95.04951	0.4
99.76630	0.4
103.05482	0.7
105.03383	0.4
106.04162	1.6
107.04964	0.3
117.03374	39.5
119.04910	0.4
121.06499	1.0
134.03627	6.0
135.04422	5.0
135.05389	0.6
142.20612	0.3
145.02841	79.3
146.03186	1.3
149.05972	16.9
162.03079	2.0
163.03908	7.3
163.05237	0.3
177.05461	100.0
178.05836	1.9
186.05470	0.9
194.15457	0.5
195.06493	1.6
195.15750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.4
69.03416	0.2
69.31987	0.8
71.04983	0.2
77.03934	0.3
79.05506	1.2
79.16316	0.2
80.06283	0.7
81.03421	0.3
81.07074	0.4
89.03872	0.2
89.06065	0.2
89.38539	0.2
90.04688	0.8
90.60298	0.2
91.04948	0.2
91.05482	3.0
93.03430	0.2
93.07066	0.4
95.04956	0.6
95.08603	0.2
100.52435	0.2
103.05479	0.2
105.03397	0.5
105.07025	1.0
106.04179	0.7
107.04958	7.4
107.08587	0.3
108.05749	3.6
109.06520	0.4
117.03381	0.4
117.07016	0.2
118.04174	0.7
119.04948	0.2
119.08585	0.2
120.08945	0.4
121.06512	0.8
121.10086	0.2
130.96349	0.2
133.06470	0.9
134.07269	0.5
134.10468	0.6
135.04427	2.0
135.08043	0.6
135.11765	0.2
136.05191	1.7
137.09613	0.3
138.06671	0.2
143.04420	0.2
145.02873	0.6
146.07231	0.4
148.97348	0.3
149.05995	0.4
150.06778	2.1
151.07549	100.0
152.07887	0.7
163.03868	0.3
164.08293	0.3
164.18335	0.2
165.09120	6.4
176.15147	0.8
177.05540	1.0
177.09119	1.5
177.12749	0.2
183.38972	0.2
194.15526	0.2
195.10225	0.5
207.28023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
53.03951	0.6
55.01874	0.6
55.05514	4.0
59.04990	0.6
65.03936	0.6
67.05506	5.9
68.96330	0.7
69.07069	1.6
69.44186	1.0
69.44569	1.0
70.94289	0.6
71.95261	0.9
75.39435	0.5
75.75027	0.4
79.05495	7.0
81.03412	1.9
81.07065	8.4
83.01337	3.1
83.04517	0.7
83.04983	7.0
83.08620	1.0
85.06540	0.8
89.06022	1.6
91.05483	11.6
91.06054	0.6
93.07041	6.8
95.04977	2.0
95.08605	2.5
97.06535	1.2
100.02473	0.9
103.05469	1.1
104.06268	0.6
105.07017	3.9
107.04947	1.1
107.07920	0.7
107.08599	9.6
109.06554	2.0
109.10145	1.8
109.76051	0.4
109.98951	0.8
113.19433	0.4
115.05431	2.0
117.07026	4.4
119.08601	2.9
121.06499	1.2
121.10143	1.8
123.08031	0.4
124.08887	0.5
125.09651	0.5
130.96335	1.5
131.08562	1.5
131.96170	0.6
133.10126	1.9
135.08047	5.6
135.11674	2.1
139.11205	3.5
147.08012	1.6
148.97328	1.3
149.01215	0.8
149.09630	1.1
149.13309	1.3
149.97200	0.4
152.08307	0.5
152.88763	0.4
153.97932	0.9
159.11679	1.1
163.03873	1.1
163.07564	3.9
167.10690	1.1
171.98936	1.7
172.98740	0.5
177.09102	10.4
177.10548	0.7
177.12679	1.0
178.12508	0.4
194.15410	1.7
195.10167	100.0
196.10541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.26520	1.6
51.45108	1.4
53.03938	2.0
55.01663	1.5
55.01876	19.1
55.05299	1.5
55.05511	20.5
57.03446	7.3
58.94625	1.5
65.03944	1.9
67.05507	57.4
69.03423	1.7
69.07073	14.2
69.17387	1.3
69.96175	1.5
71.04984	5.7
71.95251	3.4
77.03905	1.7
78.57518	1.5
79.05495	47.1
81.03404	5.5
81.07060	87.3
83.04984	100.0
83.08622	7.6
85.06533	9.2
89.06035	8.7
91.05484	29.9
93.07050	56.4
95.04986	14.7
95.08609	34.9
97.06541	15.2
97.10159	2.3
98.23257	1.5
99.04453	11.2
100.60088	1.5
105.04507	1.5
105.07022	15.1
107.04935	3.1
107.08595	36.1
109.06538	11.4
109.10187	2.2
109.98946	2.8
111.08061	3.9
113.05991	2.7
117.07028	16.7
117.39637	1.5
119.08578	6.5
121.06504	2.5
121.10163	8.3
123.08038	1.5
123.72473	1.5
125.09621	1.6
130.96292	3.5
131.08583	12.9
131.96149	8.9
133.10129	17.1
135.08047	4.6
135.11696	24.7
148.97353	3.2
149.09689	1.7
149.13258	17.8
149.97183	9.4
153.97852	2.6
154.97736	3.3
159.11700	13.5
167.14333	4.3
171.99002	3.8
172.98840	4.4
177.12740	10.1
195.08023	4.1
195.13820	75.6
195.15501	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.34810	0.6
53.03942	3.0
55.01875	3.1
55.05256	1.4
55.05513	20.9
57.03445	4.7
57.07072	2.4
64.79476	0.6
65.03937	2.5
67.05506	72.8
68.96339	1.0
69.03437	0.7
69.06705	1.5
69.07069	20.6
70.11253	0.8
70.54496	1.2
71.01357	2.2
71.04996	6.0
73.02898	0.8
77.03922	0.9
79.05495	42.2
81.03416	12.3
81.07058	100.0
82.07397	0.7
83.04987	9.7
83.08615	13.7
85.02941	1.4
85.06554	4.2
89.06033	1.5
91.05482	38.7
93.07047	60.0
95.04945	5.3
95.08608	29.6
97.06532	10.8
97.10172	1.3
99.04441	0.7
99.08091	1.5
105.04527	2.2
105.07038	11.9
107.04993	1.8
107.08592	26.7
108.10571	0.6
109.06539	2.9
109.10151	3.1
109.98932	1.3
111.08092	6.0
115.05412	0.8
117.06279	0.5
117.07026	13.1
119.08576	2.2
121.06535	5.4
121.10144	9.1
123.08080	1.5
123.11698	4.2
125.09644	0.9
129.07025	0.9
130.96320	2.3
131.08574	13.7
133.10129	25.3
135.08069	3.2
135.11694	25.7
148.97462	1.0
149.09648	0.9
149.13254	18.0
149.97151	0.8
151.11165	4.3
153.97935	1.6
159.11702	16.1
159.12953	1.3
163.03943	0.9
164.40695	0.7
171.98975	1.5
172.98801	0.8
177.12733	9.9
177.14124	0.8
195.13809	20.4
195.15619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01876	3.9
55.05516	27.1
57.03436	10.9
57.07082	4.9
59.04994	2.5
60.76339	2.7
63.01705	2.5
63.43093	2.5
65.03944	2.7
67.05508	23.6
68.96306	2.6
69.03426	3.9
69.07067	52.2
71.04992	25.9
71.33633	3.6
77.03933	4.0
79.05495	57.1
81.07056	56.4
83.08615	8.9
85.05375	2.5
85.06569	3.6
89.06021	3.1
90.48223	3.1
90.58572	2.7
91.05479	46.8
93.07045	100.0
95.04961	10.9
95.08611	21.3
97.06538	6.2
105.07027	16.5
107.04978	9.5
107.08591	58.1
107.09255	4.3
109.06539	18.9
115.05482	5.6
117.07001	25.1
117.78532	2.6
119.08589	18.0
121.06509	20.5
121.10148	16.5
122.07303	3.5
123.08079	15.0
129.07010	3.9
130.07802	5.6
130.96239	5.1
131.08577	32.1
133.10130	5.5
135.08032	7.8
135.11708	8.0
144.09338	7.7
149.01175	3.1
149.13264	18.1
159.11662	17.9
171.98917	3.3
173.43744	2.8
177.12764	14.3
179.99516	2.7
195.11391	3.4
195.13893	4.2
195.15730	3.7
197.46432	2.6
213.79797	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.69174	1.4
53.03947	4.1
55.01878	4.0
55.05513	17.0
55.71089	1.2
57.03428	5.6
57.07081	1.6
63.85656	1.3
65.03942	3.3
67.05505	68.5
67.14000	1.3
68.96347	2.2
69.03423	2.1
69.07071	15.4
69.80888	3.3
71.04985	7.4
71.95255	6.5
77.03933	2.0
79.05495	57.4
81.03419	16.2
81.07056	100.0
83.04982	33.7
83.08623	9.3
85.06548	4.6
89.06027	9.8
91.05479	28.1
93.07042	66.7
95.04977	10.9
95.08603	43.0
97.06525	13.9
98.23565	2.1
98.65417	1.7
99.08102	1.9
100.02486	3.8
105.04529	2.3
105.07030	12.7
107.04975	2.1
107.08595	22.1
109.06514	5.9
109.10146	4.2
109.98943	1.9
111.08092	6.1
117.07019	19.0
118.03523	2.3
118.97066	1.5
119.08575	2.6
121.06515	4.0
121.10140	11.3
123.08084	2.9
124.11308	1.5
130.96307	3.7
130.98950	1.4
131.08572	15.8
131.96179	4.6
133.10141	16.5
135.08063	5.3
135.11688	23.8
147.11691	1.6
148.97412	5.4
149.01216	1.4
149.09596	3.5
149.10745	2.2
149.13237	17.4
149.97206	5.3
153.97899	2.8
154.97696	2.2
159.11684	19.6
163.03963	2.4
167.98346	1.5
171.99007	3.8
172.98798	3.4
177.12729	15.2
195.07997	1.4
195.11276	2.1
195.13831	36.0
195.15761	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03934	1.8
55.01867	3.7
55.05265	1.1
55.05513	17.9
57.07064	4.4
64.21754	0.9
67.05510	6.5
69.03438	9.0
69.06710	2.0
69.07071	34.4
69.31818	5.2
71.04987	6.4
77.03905	1.3
79.05487	7.7
81.03423	2.0
81.07060	31.8
83.04984	2.3
83.08626	16.6
85.06537	5.3
91.05480	4.0
92.09563	0.9
93.07047	18.6
94.63139	1.0
95.04958	1.4
95.08609	50.2
97.06511	1.5
97.10186	7.0
99.08099	36.7
105.07018	3.2
107.04977	2.3
107.08597	41.8
109.10165	13.5
111.08094	10.7
111.11722	4.1
113.09690	4.9
119.08589	2.1
121.10148	60.5
123.11720	5.0
125.09631	23.3
131.96138	1.5
133.10068	1.1
135.07967	1.0
135.11699	14.0
137.09610	3.3
137.13243	17.4
139.11203	4.7
141.42978	1.1
145.02797	1.5
148.30884	0.9
148.97322	1.8
149.05963	1.7
149.09540	1.3
149.13255	4.3
149.97171	1.3
153.97873	1.5
163.03853	1.9
171.99016	1.6
177.05461	1.9
177.16386	100.0
178.16669	1.4
195.06528	2.5
195.13795	1.1
195.15732	1.7
195.17453	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.33227	1.1
52.59590	0.9
53.36562	1.0
55.01868	3.7
55.05515	17.1
57.07080	5.9
67.05522	5.7
69.03432	8.0
69.07072	31.8
71.04998	5.8
79.05502	5.3
81.07063	35.0
83.05013	1.2
83.08619	18.5
85.06520	4.7
89.70422	1.0
91.05486	3.1
93.07058	15.8
95.08612	48.5
97.10172	8.4
98.23507	2.2
99.08096	37.1
105.07024	4.0
107.08597	40.6
109.06506	1.1
109.10160	12.8
111.08077	11.1
111.11720	3.2
113.09657	4.1
119.08619	1.2
121.10151	65.6
123.11697	4.1
125.09641	22.6
133.10233	1.1
135.11690	15.4
137.13257	20.2
139.11194	4.3
146.73599	1.0
149.13245	5.6
152.48099	1.1
152.60269	0.9
165.12025	1.0
177.16391	100.0
178.16705	1.2
195.06519	2.1
195.08058	1.2
195.17468	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	196.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
57.92237	0.5
58.03774	0.5
58.96988	0.5
58.99869	1.4
70.06594	0.7
71.03493	0.4
73.02882	0.4
74.97636	1.0
77.00909	0.7
78.81234	0.4
80.04988	0.5
81.03423	1.8
81.07053	0.6
82.01442	1.4
84.91499	0.4
84.96034	2.7
85.58270	0.4
89.06022	1.1
95.08584	0.7
97.32288	0.5
98.06094	0.4
98.09705	3.0
98.97599	0.9
100.02467	3.3
108.99624	0.6
109.02885	0.7
110.97555	0.5
111.98457	0.4
113.44576	0.4
113.98654	0.6
116.98591	1.0
118.03519	1.8
119.04922	0.5
122.05999	0.5
124.79149	0.4
124.99117	1.3
127.00678	12.5
127.02401	1.8
129.02216	1.7
131.00267	0.5
131.96182	0.8
132.95847	0.7
136.07523	0.6
136.99092	0.5
137.05981	2.0
143.00131	1.2
145.01717	8.0
145.03459	16.9
147.03290	1.9
149.97189	1.2
150.04050	0.9
150.05408	0.4
150.09135	0.5
150.96844	0.6
154.94196	0.8
155.00143	18.3
155.97456	0.7
160.07532	0.7
161.01183	0.5
163.02942	0.6
163.04529	9.7
165.01653	0.5
168.05074	19.2
170.06595	0.5
172.94249	1.4
173.01222	74.4
173.98450	0.6
174.01714	0.6
178.08592	0.9
178.12215	0.5
186.06122	7.3
190.95369	1.3
191.02286	89.8
191.03957	6.6
195.11346	0.7
196.02756	1.6
196.04575	3.2
196.09592	2.1
196.13306	6.2
196.16980	1.7
209.03342	8.1
209.05109	1.6
214.03836	1.2
214.05627	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	196.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30513	0.5
56.96567	29.4
58.99868	13.1
69.03446	1.2
70.09327	0.9
70.84496	0.5
73.02950	0.5
77.00910	4.3
80.35517	0.4
81.07079	0.6
82.01444	12.9
97.99187	1.7
98.22763	0.5
98.97587	2.8
100.02485	26.4
103.02414	0.7
109.01424	0.9
110.03253	0.5
116.00242	2.1
116.98593	1.2
118.03519	12.3
119.01917	1.3
124.99110	0.4
127.00760	2.4
127.02390	11.2
129.02257	0.7
129.03966	1.4
131.01883	1.1
131.96136	2.3
131.99693	0.6
132.95790	0.8
134.01256	0.8
134.05974	0.6
134.99664	0.7
136.07584	0.8
136.99104	0.9
137.05963	0.8
145.03461	97.9
146.03607	0.9
147.04987	3.1
149.97198	1.9
150.03960	5.0
150.09167	1.0
155.00148	6.1
160.07590	1.5
163.04521	57.2
164.04866	0.6
165.06087	1.3
165.80382	0.5
168.05067	100.0
169.05157	2.3
170.06610	2.2
172.95332	1.1
172.98962	0.8
173.01218	19.3
173.02919	5.3
178.08614	2.1
178.12256	0.5
186.06119	40.2
188.07666	1.6
191.02257	15.4
191.03993	36.9
191.06708	1.4
196.02911	0.8
196.04539	19.9
196.09615	3.6
196.13303	3.5
196.16913	1.0
209.03265	2.1
209.05064	10.0
214.05606	53.5
215.05844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.2
51.02383	0.5
53.03949	1.4
57.03437	1.3
63.30460	0.2
70.95866	0.6
70.99353	0.3
72.93781	0.3
77.03926	4.0
79.05498	3.6
81.03410	0.2
82.62288	0.2
95.04969	7.7
98.62486	0.2
105.03393	100.0
105.04528	3.5
106.03734	0.6
111.98470	0.6
118.92019	0.2
123.04432	3.6
124.83073	0.2
132.95811	1.2
137.06015	0.5
140.27731	0.2
150.96910	0.8
151.07544	0.2
155.97426	0.8
173.98488	0.9
179.05556	0.2
179.07018	4.1
196.65750	0.2
198.18542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
50.45211	0.3
53.03951	1.5
55.01879	2.1
55.05505	2.0
57.03438	0.9
65.03925	0.7
67.05508	3.3
69.03424	1.3
69.93537	0.5
69.93863	0.6
70.95869	1.0
71.04993	5.2
72.93803	0.4
77.03922	1.0
79.05494	5.3
81.03412	1.3
81.07056	5.9
83.01328	0.6
83.04984	1.6
85.02905	4.4
91.05483	2.9
93.07045	2.2
95.04970	11.8
95.08607	6.9
95.40055	0.4
97.02894	10.9
97.06523	0.4
98.22817	0.4
99.04456	5.0
103.05494	0.7
105.03396	21.0
105.04412	1.5
105.07031	6.0
107.04969	1.5
107.08573	1.5
108.05745	0.3
109.02909	2.4
109.06527	5.4
111.04426	1.1
111.08083	20.0
111.98467	1.1
119.06079	0.4
121.06502	0.9
123.04436	3.3
123.08077	4.3
125.06013	1.2
127.03915	100.0
128.04254	0.7
129.99469	0.3
132.95831	1.9
133.06488	4.3
133.10104	0.5
135.11719	0.9
137.05954	0.9
150.96913	1.2
151.03914	4.6
151.07541	6.7
153.05432	2.1
155.07022	0.4
155.97464	1.5
161.05972	2.2
161.09599	0.4
164.15265	0.3
169.04968	0.9
169.08649	0.9
173.98502	1.3
179.07036	12.3
179.08621	0.7
179.10669	1.0
197.08096	11.9
197.11800	0.6
198.18541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01876	2.6
55.05519	0.3
65.03941	1.6
67.05512	1.6
69.44205	0.7
69.44616	0.4
69.56990	0.2
70.95864	2.0
71.05005	0.4
72.84258	0.2
72.93803	0.8
73.02919	23.2
75.37035	0.2
77.03918	0.5
79.05518	0.2
81.07042	0.2
88.96934	0.3
91.05489	2.1
93.03427	0.9
93.07111	0.2
95.04977	1.4
95.08609	0.4
99.04452	0.4
105.04517	0.3
105.06998	0.3
107.05033	0.2
107.08601	0.3
108.02094	1.2
109.06520	0.3
109.10145	0.2
110.03669	2.3
111.04446	1.7
111.98475	2.2
113.96358	0.2
114.94837	0.3
119.04946	1.6
123.04454	0.7
125.05994	17.1
129.99545	0.7
132.95833	4.1
132.96770	0.4
133.10196	0.3
136.01578	0.6
137.05994	1.3
141.05466	2.4
147.04456	0.3
149.05995	3.2
150.96898	4.4
151.03915	100.0
151.05014	9.5
151.07439	3.6
152.04250	1.2
155.97437	3.3
173.98497	4.3
179.07039	21.4
180.07381	0.4
196.17020	0.5
197.08095	9.2
198.18538	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	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
50.77555	0.2
51.02384	0.4
53.03948	1.8
55.05514	0.4
57.03443	1.1
57.07087	0.2
69.07056	0.4
69.13119	0.2
69.58524	0.7
70.95862	1.3
72.93790	0.6
77.03927	2.7
79.05490	2.9
81.07043	0.5
82.35130	0.2
82.40591	0.2
85.65865	0.2
91.05460	0.3
95.04971	7.0
95.08590	0.4
97.21388	0.2
98.23479	0.4
101.46535	0.2
105.03394	100.0
105.04527	4.1
106.03732	0.7
107.08580	0.4
109.06506	0.3
111.98473	1.6
119.08579	0.2
123.03607	0.4
123.04433	3.1
125.05990	0.8
127.03963	0.2
129.99521	0.3
132.95845	2.7
133.10144	0.3
137.05984	0.8
147.24150	0.2
150.96866	2.4
155.97415	1.9
161.09674	0.3
167.84517	0.2
173.98474	2.4
179.07042	3.6
179.10652	0.5
182.62936	0.2
196.16988	0.3
197.08101	0.2
197.11717	0.3
198.18507	3.0
215.76186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
55.01873	1.4
55.05523	2.0
55.93532	1.2
57.07061	1.0
57.46569	0.8
59.04992	0.9
63.44760	0.7
67.05497	2.9
69.07069	1.7
70.95870	9.3
71.41905	0.7
71.43444	0.7
72.93787	3.5
79.05489	3.3
81.07059	4.7
83.08627	1.4
88.96878	1.9
90.94804	0.7
91.05489	10.6
93.07040	8.7
95.04975	3.0
95.08612	2.8
97.06519	0.8
99.04475	1.0
105.03387	2.8
105.06339	1.8
105.07025	16.7
107.08601	100.0
109.06516	5.4
109.10170	4.2
111.98480	11.9
119.04932	1.7
119.06039	2.5
119.08592	4.0
121.06506	2.8
121.10110	2.1
123.11691	3.4
129.99478	2.7
131.08603	1.5
132.95844	19.9
133.10138	52.0
135.11707	14.0
135.72134	0.8
137.05992	4.1
137.09627	3.7
146.07249	2.0
147.50381	0.7
149.09593	1.0
150.96895	17.6
151.03905	2.9
151.07494	1.3
151.11162	4.3
155.31606	0.8
155.97432	16.1
161.09633	17.0
165.05467	1.1
167.10680	2.1
169.10127	1.0
173.98502	20.2
179.07086	1.1
179.10684	26.5
179.12285	1.3
179.14203	0.8
197.00099	1.2
197.11737	62.0
198.18571	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	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05509	4.6
57.03426	1.1
57.07076	3.2
60.08165	23.9
61.02930	1.6
66.49883	0.4
66.60806	0.4
67.05505	0.9
68.05028	5.7
69.03432	3.5
69.07065	4.7
70.41611	0.7
71.04981	0.4
71.08619	0.8
72.04546	0.5
72.08146	0.6
73.02904	0.8
79.05487	0.9
81.03417	1.0
81.07053	1.2
82.06590	0.4
83.04995	0.5
83.08617	4.3
84.08150	0.6
85.02902	22.2
86.06065	1.1
87.04467	0.5
91.03959	1.0
95.06090	89.5
95.08606	1.1
96.08144	0.5
97.02895	3.3
97.06509	0.8
97.10165	1.8
99.04449	1.2
100.07621	1.1
105.81902	0.4
107.08575	0.4
109.02895	1.1
111.05585	0.5
111.08105	0.7
114.09183	0.8
121.10140	0.5
127.03923	6.3
129.56573	0.4
132.63028	0.4
138.09096	0.4
145.04948	8.1
152.07077	0.9
152.10500	0.4
153.04950	0.4
154.13391	29.7
163.05992	2.4
180.08650	0.9
181.02637	1.2
198.12431	8.3
198.18527	100.0
199.18880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35962	0.5
55.01868	3.0
55.05509	4.9
56.96566	8.3
57.03426	2.5
57.07078	3.6
58.06610	0.7
60.08163	15.9
61.02928	1.9
61.39054	0.5
67.05492	0.8
68.05028	3.8
69.03428	7.2
69.07071	5.6
69.29352	2.5
70.06589	1.7
70.98106	2.7
71.08615	0.9
73.02908	2.1
76.38960	0.5
79.05482	1.1
80.57824	0.5
81.03412	0.9
81.07063	1.0
82.01467	0.6
82.06597	0.6
83.08625	4.0
83.40430	0.6
85.02905	36.3
86.06081	0.8
86.09690	2.5
88.99160	0.8
91.03928	1.1
93.07081	1.1
94.13780	0.6
95.06094	53.1
95.08584	1.1
96.08082	0.7
97.02892	5.6
97.06525	1.1
97.10188	3.2
98.23385	0.8
98.97582	2.8
99.04447	2.5
100.02493	1.6
100.07629	1.5
101.00874	0.8
103.02464	1.0
109.02853	1.3
110.97588	1.4
111.02939	1.1
113.30112	0.7
115.02446	0.7
115.03894	1.3
116.98652	1.7
118.03513	1.4
119.01910	1.8
120.02017	1.0
121.10143	0.7
122.07864	0.6
124.11289	0.7
127.03913	13.1
128.98543	0.9
129.03990	3.8
131.01923	0.7
131.05469	0.7
133.01694	0.8
134.99620	0.8
139.01552	3.9
140.04680	1.0
142.96591	0.6
145.04967	15.1
147.05023	2.2
149.06595	0.7
152.05585	0.7
152.07063	1.3
154.12158	1.0
154.13396	16.7
157.03458	2.3
161.02950	0.8
161.96149	0.6
163.06001	5.4
170.02983	1.4
170.06688	3.0
171.05072	1.0
173.01331	0.8
174.99106	2.1
175.02829	1.3
175.04520	6.0
180.08734	0.9
180.13795	1.7
181.02641	1.1
184.21773	0.6
188.07733	1.4
193.00212	3.2
193.03862	1.1
193.05557	1.4
198.06068	3.1
198.08960	1.5
198.12564	3.9
198.18530	100.0
199.04506	1.0
199.18832	1.0
216.07188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1487
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
55.05500	3.6
57.03437	29.4
57.07076	100.0
57.21024	0.8
59.05005	1.1
59.93092	3.0
64.16643	0.8
67.05504	10.2
69.07060	2.4
71.04993	1.9
71.08611	0.9
74.95448	1.0
75.04462	1.6
77.94147	1.9
81.07050	2.7
83.04955	1.4
83.08606	1.0
83.96625	0.8
85.06541	0.9
87.04440	1.0
89.06033	12.6
91.05460	1.4
95.08595	1.8
95.95184	1.0
96.37240	0.9
98.97576	4.0
99.97934	2.2
100.95717	1.3
101.05956	1.1
103.07594	3.8
105.07017	2.2
107.08582	2.8
109.10166	10.5
116.98606	3.4
117.06998	1.2
117.98952	1.7
118.96755	26.2
118.98107	1.1
119.08531	1.7
127.11189	28.2
131.08525	2.9
133.10025	0.8
133.99100	7.1
134.99605	2.5
136.95403	2.5
145.10158	6.5
145.12224	12.7
150.95717	1.1
154.96449	8.8
159.11717	4.9
159.96965	1.6
160.04556	2.1
161.00499	0.9
173.13223	1.7
174.82227	0.9
177.98056	22.3
200.99628	2.3
201.14825	37.8
201.16432	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08777	6.5
77.06250	0.8
80.56406	0.8
82.01434	4.4
82.99850	3.8
98.23453	1.7
100.02473	9.0
101.00878	47.2
118.03510	3.4
119.01919	100.0
120.02048	1.2
124.02497	5.1
137.02957	20.6
142.03499	43.1
143.03560	1.1
154.34483	0.8
160.04558	28.2
161.02956	29.9
161.04620	3.1
162.03157	1.2
162.95750	1.0
178.01083	1.4
178.05611	5.9
179.04007	41.0
179.98152	2.7
182.62755	0.9
184.04550	2.1
197.99167	5.3
202.05632	2.5
202.38820	0.8
217.26317	1.0
220.02080	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	202.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25162	0.4
55.05497	1.3
59.04985	0.5
67.05505	0.5
69.03423	9.9
70.06602	2.7
70.61972	0.6
73.06558	0.5
79.05494	3.3
81.05802	0.5
81.07066	0.7
82.06564	2.9
83.04976	1.0
83.07361	1.0
84.08126	1.1
86.87794	0.4
96.08129	59.2
97.06499	0.7
97.08421	0.5
101.05999	1.1
107.08579	2.4
109.08868	0.6
119.01939	0.4
122.09738	0.7
124.07670	0.6
124.11231	36.0
125.06039	0.6
125.09617	4.7
130.06517	0.8
147.26604	0.4
152.10699	100.0
152.29597	0.4
153.09077	1.8
153.11072	0.9
157.07726	0.4
170.11760	41.8
184.13322	29.1
185.13640	0.5
202.14378	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	202.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93517	0.4
58.99862	0.9
59.15369	0.4
70.69643	0.8
82.01447	50.9
82.99833	0.9
100.02484	100.0
101.00877	6.3
101.02573	1.2
102.00961	1.6
102.02870	0.5
102.96902	0.5
118.03522	26.4
119.01919	22.5
120.01997	7.1
121.01661	1.1
122.12223	0.4
123.04061	1.1
131.01915	0.5
137.02969	6.6
138.03096	1.3
138.95413	0.5
142.03476	1.4
143.03600	3.6
156.96515	1.5
160.04620	0.8
161.02971	4.1
161.04671	2.4
161.97087	1.3
162.03052	1.5
162.04335	1.6
166.67053	0.4
174.97559	0.6
179.00764	0.8
179.04004	5.4
179.05516	0.9
179.98117	44.7
180.04121	3.7
180.98251	0.7
197.99176	83.0
198.99373	1.5
200.00023	0.5
200.49915	0.7
202.99693	0.9
203.03795	0.4
216.96921	0.4
221.01941	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	203.1278
Annotation	Feigrisolide A
Peak:m/z	Relative Intensity
54.04625	2.6
55.01868	20.2
55.05508	21.6
57.03431	4.9
59.60059	2.5
67.05511	17.2
69.07072	26.8
70.06601	9.7
71.04993	30.0
72.08163	4.0
79.05492	33.7
81.07056	16.4
82.82738	2.3
83.04986	18.2
83.08605	2.7
84.08150	2.7
85.02913	8.3
85.06534	9.2
86.09698	23.6
87.04469	32.5
91.05485	7.7
93.07046	37.4
95.08595	14.5
97.06530	52.0
97.10189	4.2
99.04465	6.0
105.07028	12.3
107.08593	56.8
107.09259	4.5
109.10160	2.6
111.04458	15.8
111.08071	2.7
113.06004	100.0
115.03926	11.1
117.47833	2.4
119.08575	7.3
120.96537	10.0
121.06534	3.0
121.10147	63.4
123.08063	6.1
125.05998	40.7
125.09629	78.7
131.08554	21.1
139.11166	39.6
139.12151	4.0
143.07083	6.3
147.04382	6.1
149.09618	37.3
157.07590	4.5
157.12225	2.9
167.10677	50.6
175.03825	3.1
175.09224	3.1
179.97887	6.2
185.11734	36.1
186.14911	4.3
203.03424	11.3
203.08252	4.7
203.10750	4.3
203.14967	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	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
56.11148	0.7
56.96556	1.9
69.07067	1.0
69.42749	3.0
70.06591	26.3
71.04990	1.3
71.06120	7.1
72.08161	2.6
79.05493	0.7
84.08152	1.2
85.06583	0.8
86.09707	100.0
88.08750	10.4
100.02489	1.3
101.00900	0.9
102.96896	1.7
105.79726	0.7
112.08730	0.8
112.11280	0.9
115.08698	2.1
116.07095	10.7
119.01923	2.2
120.96534	1.9
123.07858	0.8
129.13902	0.8
132.10204	83.6
143.03496	0.8
144.95528	0.7
157.13370	14.6
158.09203	1.8
158.11783	1.0
158.12901	6.6
172.10841	1.1
179.97906	0.9
203.05324	2.2
203.10954	0.9
203.15202	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03942	1.2
55.05505	11.1
57.07072	2.2
65.16977	1.2
67.05504	17.3
69.07071	19.2
79.05499	12.9
81.03405	2.1
81.07058	44.2
83.08606	5.3
91.05479	25.5
93.07045	20.3
95.04970	1.8
95.08606	43.2
102.96836	2.9
105.07032	60.9
107.08580	23.8
109.10152	33.3
114.78220	1.5
117.07008	2.9
119.07748	2.8
119.08584	48.2
119.11064	1.3
120.96516	4.7
120.97874	1.7
121.10152	19.4
123.11728	9.7
128.06139	2.1
129.06989	3.7
131.08551	3.7
133.10132	42.7
135.11665	5.1
138.98856	1.5
144.06506	1.4
145.10129	9.1
147.06738	2.2
147.11687	100.0
156.96129	1.3
159.11699	3.4
160.12473	5.9
161.13248	24.6
175.07512	2.3
175.14804	3.6
179.97867	2.9
203.07039	6.3
203.17949	87.2
203.55144	1.3
204.13806	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05509	9.0
57.07085	1.7
60.37441	1.6
67.05505	27.0
69.07067	20.6
69.43402	6.0
70.83493	1.3
79.05491	9.5
81.06577	1.4
81.07056	39.0
83.08604	5.6
91.05485	11.6
93.07046	16.0
95.08604	59.4
95.95644	1.4
97.10153	1.5
98.23451	3.0
99.06576	1.4
100.31441	1.4
105.07030	52.9
107.08590	22.4
109.10159	64.8
114.43884	1.2
117.06998	2.6
117.54604	1.3
119.08583	46.7
120.08877	1.5
120.96535	1.5
121.10150	24.0
123.11715	6.5
127.69489	1.2
128.70694	1.1
133.10130	36.7
135.04419	1.7
135.11676	5.7
140.26926	1.3
145.10138	5.3
147.11687	73.7
159.11670	3.1
160.12534	1.8
161.13260	20.1
175.14835	6.7
176.41037	1.2
203.07037	1.8
203.17941	100.0
204.13831	4.4
204.18158	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.56741	1.7
55.05510	8.8
57.07085	9.5
58.06590	1.5
58.07407	4.7
62.06083	5.1
66.92110	1.4
67.05509	20.7
69.07069	14.0
69.33273	7.6
71.08652	2.3
72.08974	1.9
76.29472	1.4
79.05504	7.1
81.07062	39.8
83.08620	5.2
84.20919	1.6
91.05470	14.5
93.07052	18.3
95.08611	54.8
95.09221	3.0
97.10164	2.0
98.22701	3.3
102.96896	2.9
105.07036	52.0
107.07910	2.8
107.08589	23.4
108.60489	1.6
109.10159	55.2
119.08582	48.2
120.96533	2.3
121.10156	15.2
123.11746	6.8
129.58588	1.7
133.10136	33.3
135.11687	7.6
145.10126	6.6
147.11690	66.8
159.11700	2.6
160.12488	2.8
161.13261	20.5
175.14839	7.7
185.21022	5.6
203.17970	100.0
203.21991	64.3
204.13866	4.8
204.18408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01871	6.5
55.05509	30.1
56.05019	1.3
57.07078	4.8
57.98808	1.7
58.99586	64.4
61.01147	9.0
63.97082	0.8
68.05007	1.1
69.07058	4.4
69.47546	4.6
70.06590	1.3
73.00767	1.3
73.01142	17.5
74.00671	5.1
76.02222	21.1
79.05497	9.8
81.07056	60.1
83.08617	12.6
85.01113	4.1
85.02876	1.1
86.99050	36.8
87.02686	3.3
88.02216	5.1
88.03955	5.1
95.08581	1.4
99.02673	3.2
100.11254	100.0
102.96876	2.9
105.00085	16.4
105.00777	1.1
107.08595	2.4
110.09647	1.1
112.11224	2.9
113.04230	1.8
115.05793	19.9
116.05324	8.1
120.01182	1.7
120.97900	2.1
124.11244	1.3
136.06166	2.8
141.07318	7.6
149.02322	4.1
158.08664	1.6
158.09985	37.8
187.07877	86.1
204.10527	62.3
204.17441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1246
Annotation	Triacanthine
Peak:m/z	Relative Intensity
61.79198	0.1
67.05506	0.3
69.07066	10.7
85.02872	0.2
90.67292	0.1
91.05463	0.3
94.04043	0.2
102.96824	0.1
105.07040	0.1
107.04962	0.2
119.03547	1.2
121.02818	0.1
133.06459	0.1
136.06180	100.0
137.04626	0.8
137.06517	0.4
138.93781	0.1
146.07268	0.1
149.02315	0.3
151.03923	0.2
159.54053	0.1
161.09639	0.5
180.88123	0.1
187.07532	0.3
204.12387	1.2
204.14076	0.2
205.08609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1382
Annotation	(-)-Aphanorphine
Peak:m/z	Relative Intensity
50.97036	0.2
51.46311	0.2
53.03947	0.5
55.01870	0.4
55.05499	0.2
56.38777	0.2
57.07080	1.0
58.05360	0.2
64.93394	0.2
67.05498	0.6
68.05032	2.8
68.60784	0.2
69.07073	0.4
69.12650	0.4
69.13061	0.9
79.05495	0.7
80.05014	2.3
81.03420	4.7
81.05807	0.5
81.07043	0.4
82.04155	0.2
91.05471	0.8
93.05774	0.4
93.07050	0.6
94.02927	0.2
94.06565	0.8
94.07143	0.2
95.08569	0.4
103.05463	0.7
105.05762	0.3
105.07032	0.4
106.06564	2.8
107.04945	0.4
109.10165	0.2
112.22594	0.2
116.95128	0.2
117.05762	0.9
117.07018	0.8
118.06554	5.8
118.07410	0.4
119.07334	1.7
119.08595	0.4
120.08115	6.2
120.08976	0.3
122.06055	0.3
122.09662	0.7
123.06827	0.6
124.10344	0.2
124.11249	3.7
128.19550	0.2
130.06532	5.7
131.04982	0.4
131.07329	2.3
131.08414	0.3
131.08559	0.3
132.08083	1.4
133.05247	0.3
133.08923	1.0
134.06013	0.9
134.09683	1.5
136.06190	0.2
136.07573	0.2
136.11208	0.8
143.07314	1.1
144.08141	1.3
145.06464	0.8
145.08940	0.2
145.10107	0.2
146.06004	3.0
146.09631	0.3
147.06795	12.7
148.07593	7.2
149.02266	0.4
150.12798	0.2
155.61487	0.2
160.07578	3.0
160.11247	1.8
161.08365	4.6
161.11963	0.3
162.09166	4.0
162.12781	4.8
171.10539	0.2
172.03957	0.3
173.12006	0.9
174.09174	0.6
174.12801	6.9
175.09914	0.6
175.13499	0.3
176.10614	0.2
176.14355	6.7
186.12798	4.2
202.12274	0.4
204.13844	100.0
205.14183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01864	1.5
55.05505	8.5
56.05016	1.7
56.96569	0.8
57.03429	3.2
57.07065	2.9
58.06332	0.7
58.06592	3.4
59.05004	0.8
60.04517	3.5
61.02924	2.1
65.03922	0.8
67.05157	1.2
67.05503	13.6
68.05034	1.3
69.03419	5.0
69.07063	15.2
69.61591	2.8
70.06591	26.0
71.04991	4.9
72.04514	0.8
74.02441	1.0
74.06117	0.7
78.04751	0.6
79.05484	3.0
80.04994	1.5
81.03416	5.0
81.07054	22.0
82.06573	2.8
82.17076	0.7
83.01368	1.7
83.04971	3.3
83.08615	6.6
84.04504	21.9
84.08142	2.3
85.02907	2.5
85.06518	1.3
86.99040	1.0
91.05479	4.7
92.02322	0.8
93.07033	4.1
94.06615	0.8
95.04933	1.1
95.08601	2.4
96.04488	22.5
96.95819	0.7
97.02872	7.3
97.06532	0.8
98.06057	12.4
98.22665	1.0
99.04461	4.0
99.05058	0.7
102.03752	1.8
102.96857	2.9
103.05471	1.7
105.07021	7.6
105.50553	0.7
107.08594	7.5
109.02859	7.6
109.06496	2.3
109.10151	16.4
111.08073	0.8
114.05415	0.9
115.05420	0.9
116.07097	1.0
116.86489	0.8
118.06570	4.1
120.97929	3.9
121.02880	1.2
123.11713	16.6
124.04007	0.9
126.05505	33.0
126.09142	1.1
127.03907	2.9
127.07576	0.9
131.04901	2.4
132.08093	1.4
133.10115	18.2
138.05495	100.0
138.98947	1.8
140.14304	2.3
143.07204	0.9
144.06552	31.5
144.08063	2.3
144.10191	1.0
146.05974	8.7
148.04272	8.6
149.02345	9.1
150.12817	1.9
151.11176	13.8
158.07957	1.5
159.04420	5.6
162.03432	1.1
162.07687	0.9
163.01834	0.8
168.06569	10.8
168.13832	56.2
169.12242	3.9
170.05986	0.9
173.94142	0.8
180.04472	2.2
181.02783	1.8
181.97862	1.6
186.07582	4.1
186.14893	62.0
187.13327	1.0
188.07048	7.1
204.06802	1.2
204.08615	3.6
204.10510	4.3
204.13875	3.8
204.15918	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	205.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.05034	10.3
56.96553	0.7
57.06514	0.5
57.07069	2.3
57.42559	0.5
58.99586	11.7
63.92935	0.6
65.03916	1.0
68.05029	1.6
69.03420	2.0
69.73248	1.7
69.73617	0.9
70.02979	0.5
72.08143	0.6
73.02929	0.6
74.02429	1.5
74.06091	1.1
74.66624	0.5
75.02714	1.2
76.02225	6.8
76.04004	2.5
78.95276	2.0
81.03401	1.0
84.01186	1.8
84.04505	1.5
85.01129	75.5
85.02869	2.6
86.99057	3.1
87.02694	1.2
88.02213	1.8
97.02911	3.4
98.22657	1.1
99.04425	0.6
100.02491	1.1
102.02344	3.8
102.03767	100.0
102.05538	52.3
103.00627	0.8
109.02892	1.5
112.03951	1.4
112.07621	0.9
116.01675	15.9
118.03485	0.7
119.97874	2.2
120.03249	1.6
121.01653	1.4
121.02866	2.5
122.94199	1.2
127.03917	1.0
130.08586	0.9
140.95248	1.7
144.01172	2.4
145.04933	0.6
149.02335	22.7
158.96281	1.2
159.05881	0.7
162.02188	3.8
163.02707	0.8
163.96884	3.2
163.98109	0.5
165.49503	0.5
181.97804	4.6
188.03752	11.3
199.98830	4.8
204.13466	0.8
205.06424	23.6
205.13850	0.5
206.11801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
70.43654	0.7
74.02426	1.6
80.35400	0.5
85.03809	0.5
91.05489	1.9
97.90128	0.4
107.61062	0.5
115.05431	2.7
115.19030	0.5
117.05754	1.8
117.07008	3.0
118.06545	45.0
124.16982	0.4
130.06519	3.5
132.08092	10.0
142.06531	4.4
142.47792	0.5
143.07324	5.8
144.04439	0.9
144.08095	23.5
146.06009	100.0
147.06352	0.8
155.08348	0.5
159.09158	10.6
160.07581	1.0
170.06012	8.8
188.07072	97.1
189.07332	0.7
189.51701	0.5
190.95375	0.5
205.09756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11214	0.4
70.60187	0.6
70.60530	0.5
74.02444	1.8
91.05474	1.2
115.05444	2.3
117.05759	1.4
117.07056	2.5
118.06546	39.2
127.86761	0.4
130.06551	3.0
132.08092	10.3
139.88556	0.4
142.06522	4.0
143.07309	5.0
144.04414	1.2
144.08093	22.5
146.06010	100.0
147.06369	1.2
151.15315	0.4
155.06024	0.7
159.09183	10.9
160.07596	1.2
163.74126	0.4
170.06017	7.5
183.43681	0.4
188.07072	99.7
189.07390	1.2
198.45715	0.4
198.86755	0.4
205.09749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	3',4',5,6,7-Pentahydroxyflavone
Peak:m/z	Relative Intensity
54.11529	0.4
55.05502	0.7
57.03434	0.7
57.07066	1.1
65.03946	1.0
67.05503	1.4
68.35616	0.4
69.03412	0.7
69.07069	0.9
69.23479	2.3
71.04984	1.7
79.05491	0.9
81.03447	0.4
81.07058	0.9
83.04973	0.5
85.02893	1.1
87.04463	0.4
88.24227	0.4
91.05482	4.9
91.81110	0.4
93.03392	1.6
93.07034	1.2
95.04950	0.6
95.08635	0.5
97.02874	0.5
98.22713	0.6
99.04454	0.6
103.05444	0.8
105.07030	15.7
107.04997	0.5
107.08566	2.0
107.34529	0.4
115.05450	2.3
116.06249	1.0
117.07013	11.4
119.08590	5.7
121.02814	1.0
121.06527	0.9
121.10105	1.1
128.06236	1.2
129.07011	4.1
130.07785	6.9
131.08559	10.1
133.10127	1.8
135.08055	1.1
135.11688	0.6
143.08568	3.7
144.09346	6.7
145.06470	2.7
145.10123	100.0
146.10939	2.2
147.11700	0.6
149.02338	13.7
149.05952	1.1
149.13278	0.9
155.06047	0.5
157.10141	0.6
159.11693	36.7
159.68800	0.6
160.12096	0.5
161.13264	0.6
163.07549	1.7
163.11157	2.2
169.10118	0.4
172.08783	0.6
173.05974	1.4
175.07378	0.4
177.12871	0.6
181.97993	0.5
187.11150	3.6
205.08763	5.8
205.12248	54.2
205.13994	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51825	1.5
57.07092	1.7
59.64198	1.5
69.48537	3.5
69.48920	3.7
82.01438	2.9
82.99822	2.9
83.01495	2.8
84.01211	3.4
84.08147	3.2
98.23414	3.2
98.97607	2.7
101.00877	18.8
101.02537	8.4
102.02243	9.6
103.02584	4.0
111.09183	1.8
116.98658	1.9
119.01918	55.8
119.03625	6.1
120.01989	2.6
120.03324	3.9
121.01643	7.4
121.03606	2.6
124.02441	7.8
129.10150	1.7
131.09044	1.7
137.02939	13.9
139.02745	2.2
142.03499	100.0
143.03667	2.4
144.03206	3.2
149.02307	3.2
150.02673	7.3
160.04562	31.0
165.05127	2.8
177.00945	2.4
181.97818	2.9
182.97853	4.3
188.63695	1.7
188.99222	2.1
191.49498	5.1
199.98914	6.2
200.49979	5.4
200.98769	9.0
229.48874	1.6
229.62962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
56.25169	1.0
65.03938	7.7
66.05804	1.1
69.07067	1.2
69.80481	1.1
69.80820	2.5
76.03165	1.2
76.81782	0.9
78.88324	0.9
79.05491	1.3
79.24448	0.9
80.06276	1.4
89.03908	4.3
90.04697	2.2
91.05480	100.0
95.04964	2.5
98.22706	1.1
101.03893	1.5
103.05477	2.7
104.02605	2.8
105.03393	1.4
105.04538	1.1
107.04955	1.7
108.05726	1.5
109.95574	0.9
111.08003	1.0
118.04150	9.5
119.04944	93.2
120.01971	1.1
120.05273	1.1
121.02847	2.3
121.06474	1.5
129.03363	3.0
129.04475	1.3
132.02068	8.1
133.02892	1.7
135.04390	3.7
136.05199	5.5
145.02815	2.9
146.03612	8.9
147.04408	77.9
147.11642	1.2
149.02332	15.7
151.03873	3.8
151.07536	2.5
157.03979	10.0
160.96030	1.2
162.03116	2.1
163.03920	2.3
164.04680	10.2
174.03087	8.9
175.03909	97.6
177.01778	2.3
179.07050	10.3
183.97658	1.1
185.04791	0.9
192.04178	22.2
207.06519	71.9
207.13794	1.2
208.13335	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	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
53.03963	0.7
65.03941	7.6
69.07060	1.4
69.79733	2.3
73.02921	0.9
76.03162	1.0
77.03916	1.6
79.05475	1.8
80.06289	1.0
89.03934	5.1
90.04701	1.8
91.05483	93.5
93.03402	1.2
93.07014	1.2
95.04964	2.2
99.00974	0.7
101.03936	1.2
103.05462	3.1
104.02650	2.3
105.03396	0.9
106.04179	1.0
107.04966	2.1
108.05757	1.4
109.06477	0.7
117.03391	2.6
118.04161	9.1
119.04945	97.5
119.08588	1.2
120.05293	1.1
121.02856	2.6
121.06560	0.9
122.03690	0.9
123.04398	1.0
123.08061	1.0
129.03371	2.9
129.04431	1.5
131.04883	1.0
132.02068	9.5
133.02844	1.5
134.03632	1.3
135.04414	4.6
136.05191	4.9
145.02853	2.1
146.03642	9.2
147.04411	79.4
149.02344	15.3
149.13289	0.7
151.03938	5.3
151.07530	2.6
157.02864	1.2
157.03996	10.3
162.03116	1.8
163.03896	2.8
164.04691	11.2
174.03136	9.3
175.03909	100.0
176.04272	1.7
177.01857	1.7
177.05606	0.8
179.07037	12.7
183.97617	1.4
192.04173	25.4
192.09286	1.8
199.81912	0.7
206.18970	1.5
207.06522	80.8
207.11726	2.0
208.13264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02384	1.0
51.81525	0.5
55.01870	0.9
65.03943	7.7
66.02119	0.6
67.05482	0.8
71.46021	0.6
73.02900	0.7
77.03936	1.7
79.05496	1.5
80.06245	0.8
89.03911	3.4
90.04723	1.6
91.05482	81.3
93.03414	0.9
93.07047	1.2
94.06557	0.7
95.04967	2.0
101.03918	1.6
103.05470	1.9
104.02625	1.4
105.07044	0.8
107.04916	0.9
108.05762	1.4
111.08132	0.9
117.03364	1.3
118.04166	5.3
119.04947	87.1
121.02869	1.3
121.06510	0.7
123.04472	1.1
123.08042	0.8
129.03351	1.9
129.04478	1.5
132.02069	8.3
133.02850	0.9
133.06512	0.7
134.03621	0.8
135.04437	4.5
136.05206	4.2
143.03699	0.7
145.02855	1.9
146.03651	4.9
147.04410	69.7
149.02345	12.1
149.05972	1.2
150.03099	0.7
151.03937	1.9
151.07512	2.0
157.03973	8.7
161.02425	0.7
162.03122	1.2
163.03915	1.7
164.04678	8.9
165.96559	1.0
174.03101	4.4
175.03911	100.0
176.04405	0.7
178.02698	0.8
179.07034	9.0
192.04198	14.4
192.09349	1.9
193.63789	0.6
207.06525	65.9
208.06938	0.8
208.13322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	2,2-Dimethyl-6-methoxy-4-chromanone
Peak:m/z	Relative Intensity
53.03952	0.6
55.01868	0.3
67.05506	2.6
68.40613	0.2
69.07068	14.9
69.09683	0.5
69.10087	1.1
77.03899	1.3
77.98277	0.2
79.05496	2.8
82.07660	0.2
91.05461	1.3
95.03951	0.2
95.04972	5.3
98.22718	0.6
105.03394	1.0
105.04497	1.1
105.07014	0.3
107.04948	3.0
118.04138	0.3
119.04916	1.2
121.06499	0.6
123.04418	3.2
129.07018	0.7
133.02863	2.1
139.03908	0.7
146.03627	0.3
147.04408	1.6
149.02312	0.4
151.03902	100.0
152.04207	0.7
157.06456	0.4
161.06100	0.3
163.11224	0.3
164.04713	0.4
165.05493	1.5
174.06747	0.7
175.03922	1.0
179.06985	0.4
189.09102	2.6
192.04237	0.5
192.06601	0.4
207.06601	1.2
207.10155	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.0
55.05513	4.6
57.07068	4.2
59.00656	1.0
59.05016	1.5
60.20528	1.0
65.03926	1.6
67.05505	32.2
69.03408	3.3
69.07061	2.6
69.28261	1.0
71.04976	1.3
71.44604	1.0
79.05477	3.6
80.63134	1.0
81.07053	4.1
83.05001	1.9
85.02907	2.2
85.06544	10.7
91.05483	9.2
93.07051	12.5
95.04968	3.5
95.08607	100.0
97.06523	2.3
105.07033	14.1
107.08596	15.6
109.06499	4.5
109.10139	3.2
110.61245	1.0
111.08014	1.2
113.06026	5.6
119.04972	2.2
119.08578	23.1
119.57325	1.1
120.15705	1.0
121.06506	3.1
121.10133	12.2
123.08067	48.7
123.11700	5.6
125.09616	1.2
131.08578	4.3
133.06465	1.7
133.10159	5.2
135.08051	1.7
135.11676	4.1
137.09619	3.8
137.13264	2.1
139.07550	1.1
143.08585	1.5
145.10068	2.3
147.04434	1.8
147.08063	6.4
147.11681	10.9
149.09613	38.7
151.07559	1.9
151.14798	3.2
153.62073	1.1
156.09326	1.8
159.08070	1.2
159.11578	1.0
159.25439	1.2
161.09666	1.7
161.13246	14.1
163.11220	2.0
165.12737	8.9
165.96570	1.6
171.11668	3.3
174.10403	2.7
175.03870	2.1
179.14261	2.4
189.12724	19.2
207.09744	1.3
207.13797	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.40700	0.8
55.05502	1.4
57.07051	1.1
59.04982	2.0
67.05490	2.4
69.03418	2.5
69.07047	1.1
71.04994	1.8
71.46500	0.8
71.46887	0.9
71.57387	0.8
79.05488	3.0
81.07064	4.0
83.04975	2.5
88.12066	0.9
91.05482	6.2
91.76252	0.9
93.07064	7.3
94.41270	0.8
95.04959	1.1
95.08615	9.1
97.06538	1.9
102.41748	0.8
105.07037	11.0
107.08597	7.9
109.06518	4.2
109.10132	0.9
111.08087	0.9
118.07035	0.8
119.04920	3.6
119.05754	0.8
119.08566	7.8
121.06528	2.4
121.10149	8.1
123.08060	11.6
123.11699	2.1
131.08542	2.2
133.06477	3.1
133.10143	1.4
135.11644	1.1
137.09608	2.9
143.08598	1.9
145.10072	1.7
146.80505	0.9
147.04428	2.2
147.08041	3.4
147.11682	4.9
149.09616	100.0
151.07530	2.3
156.09358	2.8
159.11632	1.0
161.09575	0.9
161.13229	6.2
165.12740	6.3
171.11684	6.9
174.10413	2.3
175.03937	2.2
179.07007	1.2
189.12749	23.3
190.70734	0.8
207.06517	4.1
207.13803	56.1
214.57925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1857
Annotation	DICYCLOHEXYLCARBODIIMIDE
Peak:m/z	Relative Intensity
50.35585	0.2
51.92596	0.2
53.03940	0.6
55.05518	1.6
56.05035	0.4
58.06596	0.2
67.05506	0.7
68.05023	0.4
69.03434	0.3
69.07060	0.4
70.06596	0.7
72.08163	2.6
79.05504	0.6
80.04999	0.2
81.03421	2.1
81.07055	0.5
82.06574	2.3
83.08626	0.7
84.08144	100.0
85.08475	0.5
91.05484	1.3
93.07037	0.5
94.06565	0.7
95.04959	0.4
95.08588	0.4
96.08134	3.5
98.09682	0.2
105.07055	0.9
107.08590	0.7
108.08135	0.5
109.06521	0.2
109.08862	0.2
109.10157	0.3
110.09673	1.6
112.11253	0.7
119.04942	0.3
119.08585	0.8
120.08109	0.3
121.10106	0.5
121.97514	0.2
123.08060	0.2
124.11230	0.2
125.09612	0.2
131.08586	0.2
133.06502	0.2
133.10126	0.3
136.11215	0.2
138.11655	0.3
138.12773	3.7
140.14296	0.2
145.10048	0.2
147.04338	0.4
147.08011	0.4
147.11716	0.4
149.09691	0.2
149.25717	0.2
150.12787	0.7
151.07555	0.2
161.13280	0.4
162.12766	0.5
164.14369	1.0
165.12735	1.5
175.03981	0.4
178.15974	0.4
189.12624	0.2
207.14096	1.1
207.18565	29.0
208.13326	0.5
208.18904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	4.6
62.57011	5.3
69.84522	14.1
70.06590	16.5
74.06089	6.5
84.08131	14.0
86.09714	5.0
94.06592	10.5
111.08102	6.5
116.64342	4.4
124.07574	11.4
126.90947	4.5
146.11781	26.7
162.09093	6.2
163.12308	15.8
173.56783	5.2
176.73721	5.0
180.13899	11.4
184.05858	4.5
191.11829	36.2
207.15001	6.6
208.01370	100.0
208.13318	45.4
208.15416	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	208.1334
Annotation	MDMA methylene homolog 
Peak:m/z	Relative Intensity
51.02738	0.2
66.26031	0.2
70.06590	0.7
70.75247	0.3
71.04979	0.7
75.43226	0.2
83.04967	0.3
91.05494	0.2
93.07044	0.5
106.06544	0.7
107.06667	0.3
107.07342	4.6
107.08517	0.3
108.08107	0.3
110.09677	2.0
111.08081	0.3
119.08572	0.2
120.08097	2.0
134.09650	13.0
135.10431	21.4
136.11150	0.3
141.91374	0.2
145.10262	0.2
148.11185	0.5
152.10646	0.2
152.86230	0.2
157.43169	0.2
162.12775	3.7
163.13512	0.3
164.14355	0.3
180.10297	0.2
180.13828	7.4
190.12228	0.6
198.46800	0.2
203.76068	0.2
208.13324	100.0
209.13698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1335
Annotation	MDMA methylene homolog 
Peak:m/z	Relative Intensity
51.03115	0.1
51.47396	0.2
56.96548	0.3
69.03416	0.3
70.06591	0.3
70.95188	0.2
71.04992	6.2
98.97585	0.5
110.09681	13.4
111.08067	1.6
114.09169	0.5
116.98551	0.2
132.10199	0.6
134.09604	0.5
135.10411	0.9
136.11208	0.2
180.13831	35.4
181.14185	0.4
185.02782	0.2
190.00931	0.2
208.13324	100.0
209.13693	1.2
222.50414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.9615
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98513	6.6
70.19051	6.7
70.19372	13.9
75.83723	5.6
78.84272	6.8
94.93023	71.8
100.69736	6.8
112.99802	6.3
124.80499	6.3
143.23676	5.7
191.94566	30.4
208.97466	100.0
209.15495	11.5
209.57544	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	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02390	1.5
53.03935	2.9
55.01866	7.5
55.05516	5.2
56.97306	1.0
58.59629	1.1
61.02929	1.2
65.03940	10.5
67.05495	4.1
69.07076	2.6
71.04987	1.7
75.04482	10.8
77.03930	3.2
78.04718	11.4
79.05492	9.2
81.03419	1.6
81.07057	4.9
82.04227	1.3
83.04975	5.5
83.08625	3.3
84.82358	0.9
85.02905	9.5
89.03938	5.5
89.06011	3.2
91.05481	44.7
93.03410	29.3
93.07052	17.0
95.04966	21.9
95.08592	2.1
97.06532	11.4
98.23502	2.5
103.05465	17.0
105.03378	2.4
105.04512	6.6
105.07008	3.3
106.04176	93.2
107.05000	6.6
107.08570	2.9
108.05751	2.1
109.06521	7.2
109.10172	1.7
110.08436	1.2
110.52964	1.1
111.04446	4.0
111.08083	1.8
117.03392	3.8
118.04147	1.5
119.04918	4.7
119.08627	1.8
120.05743	1.7
121.06507	84.6
121.10223	1.7
122.03569	1.1
122.07327	2.3
123.04420	3.7
123.08110	2.8
124.05246	2.1
125.06000	23.7
125.09610	1.3
131.04926	7.8
131.08614	1.4
133.02800	1.8
133.06505	1.7
133.10114	2.0
134.03647	13.1
135.04453	4.4
135.08070	1.2
137.05981	12.9
138.06763	3.9
139.07552	6.6
145.02841	3.9
147.04402	2.3
148.05235	7.0
149.05981	100.0
149.13200	1.5
151.03897	2.2
151.07542	4.0
151.11168	2.2
152.08313	1.3
153.05464	6.8
153.09117	20.6
159.04401	2.4
163.03923	2.2
163.07545	5.2
165.05466	2.2
166.06247	2.9
167.14326	4.1
176.04716	1.4
176.20917	1.1
177.03928	2.5
177.05470	49.9
180.07779	1.2
181.08595	23.6
185.97452	1.1
191.06979	5.7
191.14244	1.6
209.08075	18.0
209.13535	3.7
209.15448	5.6
210.14943	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	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
55.01873	1.2
55.05516	1.0
67.05486	0.7
69.07075	0.5
69.09037	3.8
69.60466	0.5
73.47468	0.5
78.95850	0.5
79.05507	1.1
81.07056	1.1
83.04980	1.3
83.08594	0.6
89.03929	3.4
89.04390	0.5
90.27389	0.6
91.05486	6.4
93.07044	3.0
95.04968	2.1
98.23420	1.5
99.05651	0.5
103.05470	9.6
104.88454	0.5
104.94816	0.6
105.04494	0.6
106.04174	1.5
107.04951	4.8
107.08583	1.3
109.06528	1.3
109.10190	0.6
117.03387	3.9
119.04932	4.0
121.06509	13.9
131.04927	19.3
133.10130	1.1
134.03629	4.6
135.04419	1.9
145.02853	3.5
147.04453	3.5
148.05229	1.0
149.05988	20.1
149.07191	1.1
159.04427	14.0
163.02000	0.5
163.03915	2.0
167.14342	1.2
177.05473	100.0
178.05957	0.9
191.14311	0.6
209.08112	6.2
209.11818	0.6
209.13535	2.2
209.15421	2.8
210.15068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03944	2.7
55.01873	9.7
55.05516	8.7
57.03447	1.4
65.03938	10.6
67.05505	5.6
69.03436	1.7
71.04996	2.1
75.04484	9.8
77.03924	2.6
78.04707	10.5
79.05495	9.6
81.03382	2.0
81.07066	3.5
82.04191	1.6
83.04984	10.6
83.08614	4.1
85.02882	8.9
86.42068	1.1
89.03928	6.5
89.06023	2.4
91.05482	43.8
93.03411	25.8
93.03952	2.2
93.07037	21.7
95.04966	22.6
95.08604	2.8
97.06532	12.8
97.10201	1.2
103.05475	16.5
105.03394	2.6
105.04490	6.1
105.07037	5.1
106.04176	82.4
107.04949	4.2
107.08589	4.8
108.05727	1.6
109.06499	8.4
109.10165	3.7
110.07365	1.8
111.04391	1.9
117.03392	5.4
119.04958	3.7
120.05727	1.9
121.06508	76.8
121.10175	3.6
123.04449	4.7
123.08086	4.3
124.05221	2.8
125.05986	17.2
125.09675	2.4
131.04942	6.7
131.05898	1.4
133.02898	2.0
133.10175	2.4
134.03645	13.2
135.04460	2.2
135.08061	2.8
137.05962	11.5
138.06776	3.7
139.07536	6.1
145.02872	3.3
147.04442	1.3
148.05235	5.7
149.05981	100.0
149.09604	4.5
149.13223	1.8
151.03879	1.7
151.07573	4.3
151.11205	2.8
152.08426	1.8
153.05423	6.1
153.09094	21.1
153.10262	1.7
154.67938	1.3
163.07565	4.5
163.11189	2.3
165.05540	1.6
165.07047	1.3
166.06261	2.0
167.07066	2.0
167.14272	7.2
173.13336	1.4
177.05464	40.2
181.08598	21.4
181.10075	1.5
191.07043	2.9
191.14383	1.6
209.08054	21.2
209.09784	2.3
209.13426	3.6
209.15453	7.2
210.14885	2.5
227.82060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.25777	1.4
53.03942	4.6
55.01868	8.1
63.86026	1.4
65.03947	10.0
67.05500	4.2
75.04474	11.3
77.03929	4.1
78.04714	13.0
79.05494	5.6
80.38113	1.2
83.42025	1.3
85.02898	9.7
89.03918	5.3
91.05480	39.0
93.03400	29.7
93.07031	15.1
95.04966	21.6
97.06512	8.7
99.12661	1.3
101.93459	1.2
103.05473	15.3
105.03394	1.7
105.04518	5.8
105.07059	2.7
106.04171	80.9
107.04945	5.3
108.05773	1.4
109.06535	3.3
111.04431	2.4
117.03352	3.7
118.04213	1.9
119.04952	3.9
121.06502	75.9
123.04437	3.8
123.08089	2.2
124.05179	3.7
125.05978	24.6
131.04926	4.7
133.06509	1.9
134.03630	13.1
135.04407	2.6
135.08037	1.5
137.05989	11.8
138.06747	4.2
139.07529	5.9
145.02837	4.3
148.05185	6.5
149.05972	100.0
151.07555	4.6
152.08299	2.9
153.05446	6.9
153.09085	19.2
159.04422	1.7
163.07527	5.9
166.06198	3.4
177.05461	29.7
181.08592	21.8
191.07008	3.3
201.82672	1.3
209.08073	18.7
209.13585	2.6
209.15395	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	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03947	4.6
55.01871	9.1
55.05507	4.2
57.03441	1.9
65.03934	12.7
67.05510	5.6
69.02243	1.4
69.29425	5.6
69.29827	2.5
71.04993	1.9
75.04478	11.0
77.03938	3.7
78.04708	13.3
79.05495	8.4
81.07070	1.9
82.94844	2.1
83.05031	1.5
85.02895	11.9
89.03917	6.7
89.06034	2.6
91.05485	48.5
93.03403	35.4
93.07049	18.8
95.04971	22.0
95.08591	1.5
97.06532	11.1
103.05473	18.6
105.03405	3.6
105.04535	7.0
105.07023	4.5
106.04176	94.6
107.04973	5.8
107.08561	1.4
108.05737	2.3
109.06538	3.6
110.07336	1.6
111.04425	2.2
117.03390	4.2
118.04240	2.0
119.04936	5.5
120.05759	2.0
121.06509	87.7
122.07348	2.2
123.04419	4.4
123.08075	3.3
125.05990	24.6
131.04929	6.0
134.03650	19.3
135.04379	2.8
137.05986	17.6
138.06744	4.7
139.07524	6.3
145.02858	5.3
147.04446	2.6
148.05180	8.8
149.05981	100.0
149.13229	1.7
150.06697	1.8
151.07550	3.4
153.05504	4.1
153.09109	23.5
159.04466	1.9
162.54333	1.5
163.07556	4.7
166.06255	2.3
167.96301	1.6
177.05466	45.6
181.08606	24.7
185.97485	1.6
191.07005	3.2
209.08069	19.0
209.15257	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.25686	1.0
53.03941	2.1
55.01870	7.6
56.27039	1.0
65.03934	9.3
67.05495	3.8
68.32403	1.1
75.04480	10.4
77.03927	3.8
78.04700	9.9
79.05498	6.4
81.03421	2.0
81.07062	1.4
85.02902	8.7
89.03895	5.0
89.06020	3.2
91.05479	36.5
93.03405	29.8
93.07043	13.7
95.04956	15.1
97.06535	8.4
98.22681	2.3
103.05466	15.2
105.03389	1.2
105.04507	5.1
105.07024	1.5
106.04172	69.3
107.04951	4.8
108.05726	1.4
109.06494	3.1
111.04443	1.3
117.03378	4.5
118.04131	1.5
119.04954	4.1
119.06036	1.4
120.05736	1.3
121.06503	69.3
122.07265	1.7
123.04434	3.1
123.08081	1.8
124.05186	2.0
125.05995	22.3
131.04910	5.8
133.06476	2.0
134.03638	10.4
135.04395	2.3
135.08035	1.1
137.05943	10.8
137.06696	0.9
138.06755	3.5
139.07547	4.6
145.02834	4.0
147.04443	1.6
148.05183	6.8
149.05977	100.0
151.03873	2.0
151.07533	4.4
152.08331	2.0
153.05467	4.3
153.09096	21.2
159.04390	3.3
162.65790	1.1
163.07523	4.7
165.05438	1.6
166.06232	2.8
177.05469	52.9
181.08591	19.8
191.07007	3.0
209.08049	17.8
210.14886	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03951	4.5
55.01876	6.4
65.03947	10.7
67.05515	4.5
69.23170	9.8
71.05005	3.8
74.05441	1.6
75.04484	12.0
77.03939	2.6
78.04712	12.0
79.05498	6.3
79.92845	1.8
81.07059	7.4
83.05005	2.8
85.02908	6.0
85.06565	2.3
89.03927	5.9
89.06081	1.6
91.05489	38.4
92.58768	1.5
93.03408	28.9
93.07050	18.7
95.04974	20.0
95.08604	5.5
97.06537	10.9
97.95605	1.5
98.02315	1.7
103.05464	17.2
105.04546	5.5
105.07020	2.3
106.04176	72.6
107.04990	5.5
107.08616	2.5
108.50845	1.6
109.06509	2.5
110.03683	1.6
111.04448	3.3
111.08119	3.2
117.03349	4.0
118.04208	2.2
119.04945	2.9
121.06512	75.0
122.07275	2.2
123.04457	3.8
123.08087	3.9
124.05222	2.1
125.05984	17.8
131.04947	7.0
133.06488	2.6
134.03633	8.9
135.04442	2.2
137.05940	10.1
138.06786	2.9
139.07570	5.9
144.94789	2.1
145.02867	3.4
148.05211	6.6
149.05984	100.0
151.07562	4.6
153.05508	6.0
153.09109	19.0
159.04446	3.4
163.02086	2.1
163.07571	2.6
165.05424	1.6
166.06352	2.6
177.05479	43.8
177.12610	1.8
181.08620	20.9
181.14200	3.3
189.21271	1.8
191.07039	4.5
205.25301	1.6
209.07996	16.6
209.09776	3.0
209.13591	7.0
209.15434	16.9
210.14915	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	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02376	1.5
53.03947	3.5
55.01878	8.6
55.05511	1.6
57.03415	1.4
57.14253	1.2
57.33972	1.3
65.03937	8.8
67.05499	3.6
69.17035	7.4
69.17437	2.6
71.04980	2.1
75.04477	11.4
77.03937	4.2
78.04710	12.7
79.05507	6.8
81.03397	1.7
82.04229	1.9
85.02919	11.4
85.06546	1.3
87.04157	1.4
89.03921	5.3
89.06047	2.9
91.05484	42.9
93.03407	27.0
93.07037	15.4
95.04971	19.3
97.06511	9.7
98.22692	2.9
103.05463	18.0
104.19444	1.3
105.03398	2.5
105.04536	7.5
105.07046	3.1
106.04176	87.8
107.04955	5.5
109.06538	4.0
111.04461	2.4
111.08060	1.6
111.27280	1.4
117.03403	4.7
119.04960	4.8
120.05733	1.8
121.06508	74.5
122.07311	1.7
123.04425	4.9
123.08036	1.9
125.05991	21.3
131.04956	4.3
133.02788	1.5
133.10135	2.5
134.03632	11.4
135.04373	2.2
137.05989	13.2
137.09650	2.2
138.06789	4.4
139.07561	3.2
145.02849	4.0
147.04364	2.1
148.05142	7.7
149.05983	100.0
151.07542	3.5
152.08315	1.9
153.05490	4.6
153.09106	21.9
163.07555	5.8
166.06273	4.0
167.07002	2.2
173.51147	1.5
177.05479	31.5
181.08617	20.2
191.06987	3.4
199.90048	1.4
209.08109	16.6
209.15445	2.0
210.14857	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	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02394	1.8
53.03952	6.5
55.01875	20.4
55.05510	18.8
57.03437	4.9
58.12386	1.3
61.02934	2.1
65.03620	2.3
65.03941	12.5
67.05503	30.2
69.03426	2.4
69.07070	12.2
70.41161	1.8
71.05002	4.9
73.02904	2.2
75.04479	9.2
77.03934	5.3
78.04710	11.5
79.05494	48.2
81.03432	6.9
81.07060	32.1
82.94847	1.5
83.04983	5.7
83.08623	14.2
83.35582	1.4
85.02907	9.2
85.06551	2.2
87.96145	1.4
89.03918	4.9
89.06031	2.1
91.05479	58.8
93.03406	33.1
93.06445	3.4
93.07045	65.8
95.04972	31.0
95.08607	53.6
95.09218	2.4
97.02901	5.4
97.06535	14.9
99.04457	5.9
103.05465	19.8
105.03459	1.8
105.04531	8.4
105.07035	14.9
106.04173	82.9
107.04952	14.5
107.08593	27.2
108.05706	1.7
109.06526	9.0
109.10149	2.9
111.04451	5.2
111.08092	3.2
113.09612	1.4
116.06238	1.4
117.03400	2.6
117.07018	13.3
119.04961	1.7
119.06017	1.4
119.08584	12.1
120.05765	2.4
121.06503	86.3
121.10139	10.8
122.07361	2.3
123.04437	3.8
123.08098	3.5
123.97487	1.9
124.05198	3.3
125.05999	28.6
125.09602	1.4
130.07785	3.6
131.04936	4.7
131.06020	1.5
133.06523	1.5
133.10124	2.3
134.03636	12.4
135.04405	2.1
135.08072	2.7
135.11684	45.5
137.05974	13.1
138.06760	2.8
139.07526	6.8
145.02884	3.9
145.10132	27.3
147.04427	1.3
147.11780	1.5
148.05209	8.3
148.42233	1.4
149.05980	100.0
151.07532	3.1
153.05492	5.6
153.09100	21.6
159.04462	2.2
163.03979	1.5
163.07568	5.2
163.11179	46.3
165.05473	2.2
166.06325	3.6
167.07007	1.8
170.13576	1.3
177.05467	42.2
177.06970	2.4
180.07805	1.6
181.08595	21.7
181.12222	3.5
191.07071	3.0
209.08057	17.6
209.13564	2.7
209.15417	8.2
227.12755	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03946	4.4
55.01876	7.5
57.03428	2.3
62.24488	1.1
65.03950	9.2
67.05510	4.0
69.10540	9.1
75.04464	7.7
77.03935	4.3
78.04702	12.1
79.05484	5.8
81.07050	2.3
81.91035	1.6
82.94857	1.8
85.02906	9.7
89.03887	6.1
89.06009	2.4
91.05480	41.6
93.03403	29.7
93.07033	13.5
95.04967	18.1
97.06538	8.5
103.05468	21.9
105.03394	2.5
105.04539	7.0
105.07007	2.3
106.04170	78.0
107.04974	6.8
108.05767	1.3
109.06541	3.6
117.03388	5.9
118.04128	2.6
119.04933	4.8
121.06506	78.1
122.07317	2.0
123.04458	3.1
123.08035	1.3
124.05193	3.0
125.05985	20.6
127.30322	1.3
131.04927	10.9
134.03636	13.5
135.04436	4.3
135.07976	1.5
137.05991	12.8
138.06775	4.2
139.07523	5.3
145.02867	3.6
147.04417	2.7
148.05188	7.6
149.05981	100.0
151.03952	2.0
151.07559	3.8
152.08379	1.6
153.05402	6.0
153.09106	18.8
159.03294	1.2
159.04414	5.6
163.04004	2.3
163.07558	4.1
165.05457	2.1
166.06268	3.4
177.05464	68.5
181.08601	19.8
191.07042	4.6
209.08043	19.3
209.13589	3.1
209.15382	2.7
210.14882	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03918	0.7
55.01865	1.8
55.05514	8.6
56.77729	0.7
57.03431	1.3
57.07082	7.4
58.58681	0.9
59.04989	0.9
65.03944	2.0
67.05507	9.3
69.03431	17.7
69.07076	5.5
70.80827	1.2
71.04993	1.6
79.05484	5.8
81.06704	0.8
81.07064	9.4
83.04980	19.0
83.08616	5.5
85.06541	6.3
91.05471	7.6
93.03392	2.6
93.07050	6.6
95.04964	10.7
95.08601	7.6
97.06517	3.5
99.04468	1.1
99.08118	1.7
103.05460	1.9
105.04536	1.1
105.07018	5.8
106.04196	6.1
107.04951	0.8
107.08593	24.1
109.06519	12.0
109.10158	3.9
111.04436	2.1
111.08074	8.0
117.07038	0.8
119.08586	3.1
121.06513	7.5
121.10147	10.1
123.08056	5.6
123.11733	5.7
125.06032	1.8
125.09634	48.5
131.08563	6.2
133.10120	7.5
134.03641	1.1
135.08066	13.6
135.11659	5.2
137.13176	0.8
139.07578	1.2
143.08597	1.5
145.10109	4.3
147.11697	3.6
149.06023	7.9
149.09628	7.5
149.13278	7.3
150.10361	1.2
151.11182	6.2
153.09106	14.6
158.10898	3.7
161.09573	1.1
163.11205	3.6
163.14818	4.5
165.11349	0.9
165.12750	18.2
165.14049	1.5
167.14334	7.1
173.13260	17.5
176.12030	1.4
177.05437	3.1
181.08643	1.7
191.06941	0.9
191.14310	80.5
192.14661	1.0
200.47020	0.9
209.15370	100.0
210.15703	1.0
220.60240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
55.01859	4.0
55.05510	87.8
56.07001	1.4
57.03423	3.3
57.07064	3.7
59.05011	5.5
64.68369	1.0
65.03939	1.5
67.05503	16.4
69.03118	1.1
69.03429	12.2
69.07068	10.7
71.04988	7.4
79.05500	12.0
81.03401	1.9
81.07056	24.6
83.04979	100.0
83.08617	54.3
84.08125	1.1
85.06535	7.9
91.05473	8.3
93.07040	17.9
95.04966	19.2
95.08602	14.8
97.05883	1.3
97.06526	22.6
97.10172	17.1
99.04448	3.6
99.08098	5.8
102.33705	1.0
105.07012	9.4
106.04171	2.0
107.04972	2.2
107.07845	1.9
107.08585	37.7
109.06513	41.1
109.10155	37.8
111.04430	8.9
111.08079	16.3
113.05988	3.8
113.09637	3.4
117.06947	1.8
119.08590	4.8
121.06524	4.7
121.09273	1.3
121.10141	24.1
122.88484	0.9
123.08065	3.5
123.11700	16.1
125.06004	11.6
125.09626	49.5
127.07513	1.1
131.08583	8.3
133.10123	23.0
135.08020	7.2
135.11670	3.5
137.09590	3.7
139.07547	2.4
139.11162	3.0
145.10091	5.6
147.08011	1.1
147.11647	3.2
149.05937	2.2
149.08478	2.1
149.09616	31.1
149.13248	16.7
151.11172	69.8
153.09103	18.3
154.09827	1.2
158.10928	2.4
158.50215	1.0
162.71011	1.2
163.11179	5.3
163.14827	6.0
167.14314	98.2
173.09718	1.2
173.13249	12.0
174.66373	1.1
177.05376	1.3
181.12086	1.5
185.97443	1.4
191.10660	5.1
191.14288	20.9
209.07907	1.3
209.11713	3.9
209.15353	67.3
221.50684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05515	10.2
57.07054	1.6
58.31668	1.5
65.03936	3.4
67.05513	5.3
69.03423	7.9
69.07061	2.9
70.05731	1.7
71.04992	2.8
74.23492	1.4
78.04716	2.8
79.05492	7.6
81.07048	12.3
83.04979	8.3
83.08612	4.8
87.74821	1.6
91.05476	15.1
91.79511	1.7
93.03401	6.6
93.07041	10.4
95.04974	12.4
95.08600	4.0
97.06549	3.2
97.10226	2.0
103.05457	6.0
105.07030	11.1
106.04179	15.0
107.04948	4.0
107.08589	27.6
109.06504	13.7
109.10137	12.1
111.04311	1.4
111.08097	1.8
115.05396	3.0
117.07022	5.1
119.08582	3.4
121.06502	14.8
121.10144	20.5
122.07263	7.7
123.08083	2.7
123.11743	2.2
125.06001	5.1
131.04984	2.6
133.10132	100.0
134.03606	2.5
135.08063	21.7
136.82576	1.6
137.06079	2.1
137.09619	75.4
145.10129	2.9
147.11731	1.6
149.05975	19.8
149.09665	2.9
149.13249	16.4
151.11153	4.6
153.09109	5.4
163.11189	2.4
163.14861	3.7
167.14297	8.6
173.13261	7.7
177.05475	12.3
181.08643	4.7
191.14317	6.7
193.46069	1.8
209.08009	3.9
209.11731	2.0
209.15376	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	4.2
54.71857	1.5
55.01857	1.8
55.05512	100.0
57.03428	3.9
57.07063	3.8
59.04982	6.0
61.43465	1.5
61.87628	1.7
67.05515	13.3
69.03409	7.2
69.07072	11.2
70.11031	3.8
71.04974	6.4
73.32373	1.6
73.99177	1.7
77.78660	1.7
79.05471	7.5
81.07057	21.4
83.04984	77.4
83.08620	62.7
85.06519	6.2
91.05467	6.6
93.07043	34.9
95.04973	50.4
95.08606	12.9
97.06060	1.5
97.06541	17.3
97.10174	9.3
98.23337	2.3
99.04463	10.3
100.11250	5.1
105.07033	11.2
107.08595	47.0
109.06526	35.9
109.09439	1.9
109.10161	32.4
111.08075	13.1
113.09598	4.0
119.08578	5.3
121.06510	2.4
121.10143	93.1
123.08023	3.3
123.11713	12.6
125.09651	12.5
126.01038	5.7
131.08554	4.9
133.10127	20.6
135.08032	3.4
135.11716	2.6
137.39053	1.9
143.36458	1.7
147.11708	2.8
149.13280	11.5
151.11185	57.4
153.09126	16.5
163.14835	13.8
167.14322	87.0
173.13249	8.2
191.14276	12.1
209.06079	1.7
209.15324	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
51.29886	0.7
53.03930	1.5
55.05510	35.0
55.70980	0.7
57.03428	1.1
57.07063	0.9
59.04994	2.3
66.61356	0.7
67.05492	3.6
69.03417	2.6
69.07063	8.5
69.60336	3.0
71.04990	2.0
71.07622	0.8
79.05495	7.8
81.07066	8.4
83.04983	31.6
83.08620	19.3
85.06541	2.0
89.56728	0.8
91.05460	5.3
93.07044	32.2
95.04969	23.7
95.08597	5.9
97.06530	5.5
97.10162	3.5
99.04435	4.6
99.08109	1.2
105.07036	6.5
107.08591	31.3
109.06518	10.1
109.10157	11.5
111.08082	5.0
113.09676	1.0
115.07549	0.8
119.08581	3.3
120.39346	0.9
121.10145	100.0
123.08071	1.2
123.11712	5.3
125.09650	5.0
133.10130	6.4
135.08040	1.3
135.11693	2.8
139.07350	1.0
149.13272	4.1
151.11189	20.2
153.09114	7.1
163.14812	19.6
167.14323	31.0
173.13242	2.9
191.14276	11.0
209.15369	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03939	2.3
55.05513	100.0
56.44773	1.3
57.03441	1.5
58.33103	1.7
59.04999	4.0
60.54231	1.4
67.05518	9.2
69.03432	6.9
69.07062	6.5
69.43062	5.6
71.04990	4.5
79.05480	4.1
81.07056	10.5
83.04985	70.7
83.08624	51.5
85.06541	4.0
91.05473	4.5
93.07050	11.7
95.04974	24.7
95.08598	8.1
97.06548	7.0
97.10175	11.2
99.04455	4.0
105.07024	3.2
106.04182	3.9
107.08598	25.2
109.06522	5.9
109.10161	26.6
111.08069	12.6
112.70013	1.4
113.09636	2.4
121.06510	2.2
121.10142	20.2
123.11677	9.7
125.09630	11.0
131.08539	1.9
133.10147	8.4
149.06009	2.9
149.13275	7.1
151.11185	44.2
153.09111	6.2
167.14331	70.8
209.15369	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03943	3.0
55.01875	1.9
55.05511	71.6
57.03439	3.2
57.07064	2.6
59.04982	4.1
67.05487	8.7
69.03437	8.1
69.07060	4.4
71.04981	4.1
79.05484	6.0
81.07050	14.2
83.04982	92.0
83.08624	42.2
85.06537	5.9
91.05479	4.3
93.07021	10.1
95.04417	2.5
95.04973	32.2
95.08598	9.0
97.06538	12.0
97.10176	9.1
99.04452	5.2
99.08112	1.6
105.07007	4.5
107.08597	20.7
109.06523	26.4
109.10166	26.1
111.08065	9.8
113.09634	2.7
119.08580	2.9
121.10138	9.3
123.08055	3.3
123.11696	11.4
125.09638	12.9
131.08565	3.5
133.10132	20.1
135.08081	2.5
145.10127	2.2
149.13211	8.7
151.11186	45.4
153.09122	17.7
159.58624	1.5
163.14740	1.7
165.12683	2.7
167.14323	100.0
173.13266	10.0
177.92220	1.5
177.95889	1.4
191.14296	6.2
199.97258	1.3
209.15373	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.34145	0.5
53.03921	0.7
55.01865	0.7
55.05513	5.0
57.03407	0.6
57.07061	1.7
59.04996	0.6
65.03932	0.8
66.34396	0.5
66.47916	0.6
67.05508	4.3
69.03432	6.8
69.07066	4.2
70.72551	0.7
71.04987	0.6
79.05496	5.5
81.07059	13.3
83.04995	2.9
83.08637	2.7
85.06531	0.8
86.62914	0.5
89.65797	0.5
91.05478	9.4
93.07065	3.9
95.04970	5.2
95.08603	2.4
97.06510	1.3
105.07028	9.4
106.04158	2.1
107.04945	1.8
107.08596	22.4
109.06524	12.3
109.10154	10.1
111.08104	0.8
115.05446	3.4
117.07005	4.0
119.06072	1.4
119.08585	4.1
121.06528	3.0
121.10151	17.3
122.07278	7.5
123.08075	2.3
123.11723	1.3
125.06023	0.7
125.09633	2.5
131.08586	3.0
133.10130	100.0
134.10437	1.1
135.08051	21.3
135.11700	2.4
137.09618	75.2
145.10136	1.2
147.11684	2.0
149.06000	2.4
149.09602	1.7
149.13261	16.6
151.11215	2.8
153.09120	2.1
158.10950	1.4
163.14842	2.2
167.14345	2.2
173.13268	7.5
177.05489	1.6
191.14296	8.0
209.15404	5.0
210.22398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.39257	1.7
55.01868	2.4
55.05514	27.4
57.03442	2.1
65.03951	2.0
67.05514	9.0
69.03425	9.0
69.07067	5.1
71.04993	2.3
71.43970	1.4
73.78267	1.4
75.04446	1.6
79.05486	7.9
81.07048	15.0
81.89533	1.7
83.04982	30.6
83.08616	13.9
85.06541	2.1
91.05486	14.2
93.03402	2.3
93.07039	10.4
95.04961	12.3
95.08598	7.3
97.06537	3.5
97.10168	3.6
99.04471	2.3
99.08075	2.5
99.93908	1.5
102.24181	1.5
103.05469	2.6
105.07024	10.0
106.04200	10.0
107.04979	1.9
107.07920	3.3
107.08595	31.1
109.06519	12.9
109.10165	16.4
109.49306	1.6
111.08073	4.1
115.05453	3.2
117.07044	3.9
119.06016	2.2
119.08592	6.7
121.06519	14.2
121.10160	13.9
122.07279	9.2
123.08088	3.3
123.11691	3.9
125.05985	2.8
125.09637	10.2
131.08536	3.8
133.10130	100.0
135.08051	19.9
135.11690	2.0
137.09613	90.2
147.11687	2.9
149.06007	10.5
149.09628	7.4
149.13268	16.0
151.11165	16.5
153.09096	6.4
163.14833	4.1
167.14314	24.4
173.13255	7.1
177.05536	3.9
181.08542	1.7
191.14279	8.1
192.46002	1.7
209.09529	1.8
209.13519	3.0
209.15332	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	210.1491
Annotation	3,4-DMMA
Peak:m/z	Relative Intensity
50.29913	0.1
50.49840	0.1
55.05508	0.4
67.05506	1.3
69.03445	0.2
70.06593	3.5
70.90967	0.2
71.04991	2.3
77.68780	0.1
79.05484	0.3
82.06583	0.1
84.08147	2.3
86.06056	0.1
93.07049	0.5
95.08605	3.5
96.08102	0.1
97.64974	0.1
98.06065	0.1
100.07613	0.3
105.07029	0.2
107.08561	0.3
108.08118	0.2
110.09690	0.1
111.08080	0.5
112.11242	0.7
112.75244	0.1
119.08659	0.1
122.09659	1.5
123.08142	0.1
125.46333	0.1
126.09129	0.2
136.11214	0.5
137.11975	1.1
140.10709	0.2
150.05458	0.6
150.09120	0.2
152.10738	0.2
154.12242	0.2
164.14352	0.4
164.44931	0.1
169.52480	0.1
179.76117	0.1
180.13838	0.3
181.62167	0.1
182.15359	0.3
192.13814	0.2
210.14891	100.0
211.15266	1.1
213.64644	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03940	4.3
54.73971	0.8
55.01875	5.5
55.05511	37.6
57.03431	8.1
57.07068	1.1
59.04993	1.7
65.03938	0.9
66.58289	0.8
67.05502	26.6
69.03432	9.9
69.06763	0.9
69.07070	10.6
69.20304	5.0
71.01340	1.3
71.04988	7.9
72.08121	0.7
73.06548	1.2
77.03883	1.0
79.05046	1.5
79.05495	28.8
81.03416	100.0
81.07055	39.0
81.07558	1.1
83.04980	49.2
83.08620	35.1
85.02888	1.8
85.06538	3.0
87.04447	0.9
91.05479	48.2
93.07040	19.2
95.04967	37.4
95.08605	14.3
97.02921	4.2
97.03471	0.8
97.06525	6.7
97.10170	8.6
97.99176	0.9
98.23494	1.8
99.04413	1.3
99.08088	3.0
101.09585	0.8
105.04515	1.2
105.06344	1.7
105.07024	22.3
107.04937	6.7
107.08599	10.8
109.06516	6.5
109.10158	6.8
111.04440	3.2
111.08076	16.1
113.05993	1.8
115.05430	1.9
115.07552	1.0
117.06975	1.1
119.04942	1.4
119.08576	20.6
121.06499	2.2
121.10127	10.0
123.08047	4.2
123.11678	3.6
125.09596	3.3
128.47469	0.8
129.07014	10.8
131.08568	11.8
133.06509	3.9
133.10130	15.7
135.11699	3.8
137.09598	4.2
141.06950	1.0
142.07788	3.4
145.10066	1.8
147.08046	2.8
147.11674	15.5
149.09615	8.3
149.13303	0.9
151.11151	2.9
157.10123	16.1
165.12767	5.3
167.07085	0.8
175.11186	20.5
175.14807	3.7
193.08566	1.6
193.12244	49.4
193.15915	1.7
211.13289	26.3
211.15192	3.5
211.16982	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03945	4.2
53.33265	0.9
53.86171	0.8
54.87868	0.9
55.01877	5.7
55.05514	39.7
57.03438	10.5
59.05009	1.6
61.68984	0.9
65.03949	1.9
67.05505	27.6
69.03436	8.2
69.07075	8.2
71.04989	5.1
79.05494	33.1
80.00468	0.9
81.03420	100.0
81.07061	34.2
83.04985	48.0
83.08624	37.3
84.55376	0.9
85.06555	3.0
91.05481	34.7
93.07051	17.7
95.04976	32.4
95.08612	14.0
96.10170	1.0
97.02903	3.1
97.06536	5.9
97.10174	7.2
98.22697	2.5
99.08073	2.0
103.31177	1.0
105.04534	1.8
105.07035	21.3
107.04989	5.4
107.08590	7.7
109.06523	6.4
109.10175	2.2
111.04449	2.6
111.08098	14.7
113.06022	1.2
115.05457	1.9
116.06297	1.2
117.07039	1.7
119.08587	17.4
121.06491	1.7
121.10134	6.9
123.08075	3.5
125.09659	2.8
129.07002	13.3
131.08571	13.7
133.06508	3.9
133.10130	10.8
137.09662	3.2
142.07797	3.1
145.10124	1.2
147.08057	3.7
147.11688	17.0
149.09613	8.2
157.10112	18.4
165.12782	4.4
175.11182	19.1
193.12244	46.7
211.13275	26.2
228.79390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03943	2.3
55.01869	3.1
55.05513	23.0
56.96572	11.2
57.03441	4.2
57.07077	2.8
58.20461	0.7
59.04993	0.9
67.05505	17.7
69.03434	6.7
69.07072	5.5
71.04987	2.8
71.44878	0.7
77.03941	0.7
79.05499	20.5
79.05949	1.6
81.03419	64.2
81.07058	23.8
81.07429	0.6
83.04983	28.1
83.08624	21.2
84.96049	1.5
85.02893	1.2
85.06545	1.7
89.91730	0.7
91.05486	18.8
93.07049	11.2
95.04973	18.9
95.08604	8.0
97.02892	2.5
97.06528	3.0
97.10173	5.0
97.99203	3.5
98.98471	100.0
99.08105	1.1
105.07027	16.0
107.04955	4.7
107.08598	5.1
109.06526	4.7
109.10176	1.2
111.04425	1.5
111.08073	8.6
115.05447	1.0
116.00221	2.4
116.99494	2.7
117.07054	0.8
119.08576	12.3
121.06496	1.3
121.09352	0.8
121.10130	4.7
123.08071	1.7
125.09642	1.0
129.07014	7.8
131.08569	6.8
133.06482	2.1
133.10109	7.4
137.09615	1.8
139.31651	0.8
140.01161	1.0
142.07835	2.1
145.10086	0.8
147.08034	2.1
147.11673	10.9
149.09604	4.4
157.10130	9.7
157.13881	0.7
165.12788	2.3
169.10130	1.0
175.11200	12.3
193.12251	29.9
211.11203	1.4
211.13310	14.6
211.15033	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03954	2.9
54.67061	1.1
55.01861	5.2
55.05260	2.1
55.05513	34.7
56.96565	10.6
57.03436	6.7
64.99567	1.1
67.05161	1.9
67.05505	27.2
69.03439	8.3
69.07079	10.7
69.32131	1.1
70.60756	1.2
71.05007	5.9
79.05494	26.4
81.03419	100.0
81.06569	1.9
81.07052	34.6
83.04979	44.6
83.08621	33.3
84.96044	3.3
85.02925	1.3
85.06528	2.1
91.05481	27.2
93.06624	1.2
93.07060	14.0
95.04973	30.1
95.08604	11.5
97.02895	3.3
97.06519	4.7
97.10155	8.2
97.99186	5.6
105.07030	23.3
107.04957	5.5
107.08598	8.2
109.06505	4.4
109.10097	1.7
111.04459	1.7
111.08087	14.9
111.75494	1.4
113.06053	1.8
115.05494	1.6
116.00240	2.5
116.48453	1.2
117.07018	1.6
119.04917	1.4
119.08578	17.0
121.10145	6.6
123.08065	4.9
125.09638	1.6
129.07004	9.3
131.08560	12.5
133.06497	4.0
133.10144	11.3
137.09639	2.0
142.07800	3.6
145.10083	1.5
147.08018	2.6
147.11681	14.2
149.09627	6.5
151.11090	1.4
155.08487	1.9
157.10123	15.5
163.11171	1.6
165.12735	3.4
169.10173	1.5
175.11188	17.8
193.12251	46.9
196.12524	2.1
211.11163	2.5
211.13248	25.2
211.15062	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05508	14.6
56.96570	6.6
57.07068	4.0
57.13109	0.8
59.04996	1.6
65.03956	1.4
67.05505	26.5
69.03426	11.4
69.06706	1.3
69.07066	16.2
71.04990	4.7
71.45981	1.1
79.05479	5.9
81.07058	24.5
83.04981	11.9
83.08617	7.4
83.15240	1.0
84.96055	1.2
85.06545	4.0
87.95359	1.0
91.05466	3.5
93.07047	10.1
95.04961	3.1
95.08603	43.8
96.08997	1.1
97.06538	1.9
97.10188	2.8
97.99178	2.3
98.98476	1.2
99.08104	4.6
104.45494	1.1
105.07033	6.6
107.08598	23.7
109.06509	12.5
109.10154	100.0
111.04411	1.0
111.08067	4.5
113.09653	2.6
119.08571	24.2
121.10143	13.6
123.02640	1.3
123.04462	2.0
123.08060	14.6
123.11704	9.7
125.09564	1.2
127.11224	1.3
133.06474	1.7
133.10124	20.8
135.11685	65.7
137.05933	1.5
137.09613	17.3
137.13190	1.0
139.11215	3.2
147.11650	1.2
149.13245	6.6
151.11148	10.2
151.14813	13.1
153.12744	3.8
155.08554	1.4
165.16371	2.5
167.07100	1.0
175.14824	25.8
179.07050	3.2
193.15892	22.7
211.11125	3.7
211.15213	38.7
211.16940	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05511	18.9
57.07071	4.1
59.04992	4.6
67.05503	20.0
69.03428	3.4
69.07066	12.4
69.44228	7.3
71.01369	2.1
71.04994	11.4
78.58396	1.7
79.05487	4.6
81.07056	19.3
83.04985	6.1
83.08624	30.4
85.06565	8.7
91.05502	3.8
93.07046	18.7
95.04971	79.8
95.08024	2.9
95.08607	41.1
97.06551	4.9
97.10151	2.9
97.27586	1.6
98.23397	3.8
99.04449	7.7
99.08096	100.0
105.07028	5.4
107.08602	22.5
109.06506	4.0
109.10160	48.4
111.08090	12.1
111.11675	2.3
113.06029	3.0
113.09615	4.2
119.08595	13.9
121.10163	7.8
123.08125	4.0
123.11710	4.8
125.09599	2.7
127.11157	4.7
133.10126	14.0
135.11688	37.4
135.12648	3.0
137.08588	3.1
137.09615	39.8
137.10648	2.8
139.07571	1.8
149.13260	3.1
151.11166	4.2
151.14760	4.1
153.12743	14.1
155.10669	47.3
156.48822	1.6
165.05505	2.1
165.16379	2.2
175.14828	14.0
193.15901	18.7
211.16936	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	58.2
69.94617	1.2
74.97591	0.4
75.71983	0.4
81.03427	0.6
84.08131	0.4
85.02896	0.4
102.08737	0.4
109.02889	0.9
124.99113	15.1
143.00160	34.0
152.98517	0.6
159.06577	0.4
161.01221	24.4
170.99622	10.3
171.04395	0.4
179.02252	3.5
188.99417	1.6
189.00697	81.8
207.01755	100.0
208.02138	0.8
211.15280	2.2
212.02292	1.4
212.12816	0.4
225.02802	5.8
230.03368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75339	12.9
62.09225	14.0
69.32095	22.7
69.32515	55.0
70.06606	75.4
88.71684	12.9
110.07146	24.9
127.56174	13.5
132.76784	14.5
149.30379	13.2
149.75534	13.1
178.91173	12.9
196.04825	79.7
212.85249	100.0
213.07498	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	213.0749
Annotation	GEIR-1
Peak:m/z	Relative Intensity
52.39988	18.9
59.86144	18.4
76.52348	21.7
77.30798	17.6
177.67534	19.6
196.04800	100.0
210.79300	20.7
213.07471	77.9
217.06921	17.5
218.64980	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	213.0749
Annotation	GEIR-1
Peak:m/z	Relative Intensity
54.18184	8.6
58.55716	8.9
69.46628	38.5
70.06574	42.2
73.35049	9.2
78.62670	9.5
96.77920	9.4
101.00862	16.3
104.05328	15.0
110.07175	30.3
119.01923	25.6
119.11046	8.4
125.87090	9.2
137.63983	8.2
145.03506	14.6
156.07761	10.8
166.06775	8.9
195.06396	14.4
196.04829	100.0
213.03833	8.9
213.07553	69.7
215.04555	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03942	1.4
55.01872	1.3
67.05501	2.7
69.03429	2.0
69.75167	2.1
71.01355	2.2
71.04971	0.9
77.03933	2.3
79.05494	22.6
81.03404	3.1
81.07062	3.8
91.05479	3.5
93.07045	3.3
95.01321	1.4
95.04972	28.0
97.02884	5.3
97.06533	1.4
98.23347	1.3
103.05470	5.3
105.03413	3.4
105.04510	3.4
105.07047	1.0
107.04956	100.0
109.02878	11.5
109.06525	2.6
121.05701	0.9
121.06516	7.3
123.04431	8.1
125.02355	11.5
125.06030	2.9
126.81297	0.6
127.03898	1.3
128.00757	0.7
131.04929	3.9
133.02861	9.1
135.04417	2.4
149.05991	10.5
151.03908	63.6
153.05457	8.1
159.04388	1.5
177.05464	8.1
181.08659	1.0
195.06502	5.1
200.36876	0.6
213.07260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.076
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
56.96559	3.4
61.02926	9.1
65.03935	7.0
67.05499	5.8
69.03424	2.2
69.07072	2.1
70.06584	5.3
71.05946	3.8
72.08162	2.1
77.03924	2.3
79.05489	17.4
81.03399	4.4
81.07024	3.1
82.03760	1.7
83.05001	2.3
83.08604	1.8
84.05629	6.0
86.09703	2.8
87.09244	2.0
91.05486	6.2
93.03399	7.8
93.07028	4.7
95.04967	9.1
95.08604	4.1
97.06583	2.2
98.97569	6.0
105.98820	2.2
107.04963	35.2
107.08592	3.5
107.88086	2.0
107.92252	1.8
109.02876	4.7
109.06523	2.3
110.03688	21.6
111.04462	13.3
111.08081	2.7
116.98621	4.5
117.03374	2.2
121.06517	15.3
122.03661	6.1
125.05996	67.4
126.01065	4.9
127.01415	12.2
127.03912	3.9
128.00783	38.6
130.96292	3.7
132.59641	1.8
133.02811	10.8
134.99683	2.9
135.04420	26.2
137.05997	6.8
141.05481	2.6
148.97354	5.2
149.05988	26.4
150.03149	10.2
151.03917	100.0
151.05029	12.7
151.07513	2.0
153.05475	15.5
163.03912	7.0
165.05484	37.9
167.07054	18.4
175.09798	2.9
177.05487	22.4
189.97697	3.2
195.06535	14.9
213.07347	46.9
213.10849	2.0
214.05544	2.0
234.84908	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03940	2.1
57.38168	0.3
58.63364	0.4
68.02643	0.4
69.03442	0.5
70.73421	0.5
73.06551	1.4
79.05508	2.2
81.03432	0.3
81.07074	1.5
83.04978	67.2
84.05307	0.7
91.05500	1.9
93.07055	1.1
95.04969	0.6
95.08598	0.5
96.05730	0.4
97.06519	0.4
98.97605	0.5
99.69221	0.4
101.06036	0.7
105.07021	1.9
107.08596	4.6
109.06477	0.9
109.10124	0.7
111.04455	2.3
111.08080	3.7
116.98648	0.5
117.00688	0.4
121.06404	0.5
123.08047	0.6
125.06014	0.8
135.08060	2.5
137.06287	0.3
139.03894	100.0
139.07509	6.3
139.11180	6.2
140.04276	0.7
148.12311	0.3
149.09641	0.5
151.07547	0.5
153.09097	1.5
155.54271	0.4
163.07541	7.6
167.10646	4.5
169.08565	2.9
185.09538	0.3
195.10149	21.6
213.11182	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01884	3.8
55.05512	18.5
57.03432	9.1
57.07090	3.6
64.26484	1.6
64.92176	1.4
67.05506	80.1
69.07072	29.3
70.06573	1.5
70.25861	1.5
71.05005	8.6
71.19210	1.8
79.05492	35.9
81.03416	1.7
81.07059	100.0
83.04983	8.0
83.08633	21.4
85.06550	5.2
88.07632	2.4
91.05480	20.4
93.07048	60.3
95.04989	4.6
95.08611	24.0
97.06532	16.5
99.08071	1.7
105.07043	6.7
107.08598	29.2
109.06494	1.5
109.10186	3.9
111.08049	7.7
117.07013	10.1
119.08608	2.3
121.06524	2.6
121.10145	16.9
123.11731	4.3
125.09667	1.8
129.07028	2.5
131.08549	11.5
133.10126	19.2
135.08116	1.9
135.11691	17.5
147.11745	1.5
149.13258	39.3
157.10078	2.0
159.11687	22.0
162.55997	1.6
167.14310	1.9
177.12767	10.6
195.13757	11.2
213.16460	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	213.1485
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03939	2.6
55.01870	3.3
55.05509	17.3
57.03428	8.7
57.07071	2.2
67.05503	69.5
69.07067	23.6
69.70319	1.5
70.05653	3.1
70.05998	2.2
71.04974	5.9
79.05048	2.7
79.05490	36.9
81.03433	2.0
81.07056	100.0
83.04967	7.0
83.08625	14.8
85.06537	5.2
91.05480	21.7
93.07041	56.1
95.04954	5.5
95.08607	25.3
95.10904	1.5
97.06536	10.3
97.69219	1.5
98.97570	2.7
99.04461	1.6
99.08106	2.4
105.06989	7.0
107.08601	25.5
109.06484	2.5
109.10128	2.7
111.08060	6.2
113.09588	1.6
117.07027	10.6
121.10155	11.9
123.11707	3.8
131.08571	8.4
131.46402	1.7
132.32236	1.7
133.10136	14.8
135.08003	2.1
135.11684	14.2
149.12106	2.4
149.13260	33.5
151.11241	2.6
159.11670	13.9
167.14346	1.5
177.12770	7.1
195.13779	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.47889	0.8
53.03938	1.0
54.30368	0.8
55.01867	3.2
55.05516	11.4
55.68870	0.9
57.07059	3.1
67.05490	3.6
69.03413	3.2
69.07069	16.7
70.16730	2.4
71.04989	4.1
71.08635	1.0
79.05493	7.5
81.03408	1.9
81.07049	17.2
83.08615	12.7
85.06535	5.8
91.05471	2.2
93.07034	12.6
95.08609	38.6
97.02914	1.6
97.10168	8.4
99.08099	20.4
105.07020	3.8
107.08595	40.7
109.02882	1.5
109.10149	11.1
111.08083	18.0
111.11781	1.0
113.09627	2.5
121.10147	64.8
123.11671	2.2
125.09639	6.1
127.03877	2.5
135.11705	11.2
137.13243	10.8
139.11186	2.7
142.07899	1.0
143.08537	1.1
147.49336	0.9
149.13234	6.0
177.16382	100.0
178.16721	1.0
195.17461	13.8
213.09021	2.5
213.16635	1.7
213.18481	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.58622	1.5
55.01877	3.3
55.05508	11.7
57.07070	3.3
65.88403	1.4
67.05504	6.7
69.03441	1.5
69.07067	16.7
70.08792	4.5
71.04982	3.6
79.05489	6.2
81.07060	18.7
83.08626	10.6
85.06547	6.8
91.05482	3.2
93.07038	13.5
95.08606	35.5
97.10176	8.0
99.08103	23.2
105.07011	2.1
107.04934	1.9
107.08597	35.6
109.02896	1.9
109.10172	9.2
111.08096	17.3
113.09637	2.7
121.02840	2.2
121.10147	61.3
125.09624	7.4
127.03905	1.6
134.75226	1.3
135.11696	12.6
137.13232	9.1
139.11180	2.2
149.13239	4.9
165.52316	1.5
167.07037	3.2
168.13824	2.0
177.16386	100.0
178.16730	1.9
181.61649	1.9
195.17416	14.3
213.09079	2.1
213.12759	2.9
213.16539	1.8
213.18381	6.7
215.60844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06597	25.5
70.53535	28.6
72.08155	32.9
86.09727	18.1
91.23999	14.1
99.04504	16.3
108.80711	13.7
116.07107	34.3
119.01926	26.7
150.09132	27.4
168.10178	22.8
170.12943	18.8
196.09650	23.5
214.05838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.8
57.97363	0.4
58.06585	0.8
69.07068	9.3
70.06599	3.4
71.06924	1.1
72.04536	0.5
72.08154	0.8
82.99830	4.0
84.08144	1.6
86.09706	97.8
87.10021	0.6
88.93165	0.4
95.06097	0.5
97.06534	10.3
98.97549	0.7
100.02489	1.9
101.00880	37.7
111.05644	0.5
112.02442	1.3
113.00845	1.0
116.98624	0.7
118.03524	10.3
119.01919	100.0
120.02017	1.4
126.07715	0.5
130.03493	2.5
131.01884	3.7
136.04539	1.3
137.02959	24.5
142.03508	1.1
144.05075	3.5
144.08713	2.6
145.03485	0.7
149.02953	1.0
154.03484	1.9
155.05527	2.1
162.09727	1.9
168.08676	5.3
172.04532	3.6
172.08165	0.8
173.02950	2.0
173.06596	2.4
186.09756	67.0
187.08284	0.6
187.09991	1.2
191.02393	0.6
191.03996	2.0
191.07642	1.9
196.08217	3.1
197.06598	5.4
204.10822	23.9
209.11392	0.7
214.09232	41.0
214.14375	2.0
215.07619	7.0
215.09491	0.9
232.10298	99.2
233.08662	4.4
233.10614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1074
Annotation	N-(3-Oxohexanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
54.03463	1.6
55.01859	2.0
55.05518	0.8
56.05038	1.0
56.96553	2.4
68.05029	13.9
68.55922	0.6
69.07066	30.6
69.64104	0.5
70.06593	0.8
70.77974	0.8
72.04503	1.3
72.08147	0.8
72.93779	1.3
73.02913	1.3
73.41262	0.5
82.02943	3.8
84.04501	12.6
84.78963	0.5
90.94825	1.4
94.02915	0.7
95.04990	0.6
98.97568	0.8
100.03972	5.4
101.02387	6.0
110.09641	1.2
112.03981	6.4
116.98637	0.8
128.03439	34.9
129.01843	2.4
130.05006	2.3
132.95827	2.4
140.03416	44.1
140.99974	0.5
146.04474	11.1
149.96175	0.6
150.09128	1.8
150.96883	3.9
156.10219	1.3
158.04485	56.8
167.97163	0.6
168.10178	8.7
169.13409	0.6
173.98537	0.5
176.05536	2.4
191.97113	1.2
195.70879	0.6
196.09705	4.0
214.10733	100.0
214.21655	1.0
215.11162	1.0
215.13858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.2
58.84997	0.3
58.99873	0.6
59.96171	0.4
59.99958	0.3
60.95841	0.3
69.03436	0.8
69.04543	0.5
70.06597	1.3
70.08946	0.6
70.90610	0.2
70.98108	0.5
71.49871	0.2
72.08154	1.1
73.06539	0.3
82.99829	2.4
84.08119	0.5
84.14364	0.3
86.09716	3.1
87.10045	0.9
97.06499	0.3
98.23428	0.3
98.97594	2.1
98.98398	0.3
101.00883	32.1
101.02583	0.9
102.00960	0.6
111.00484	0.3
113.98669	0.5
116.98632	1.5
118.03524	0.6
119.01923	100.0
120.02004	3.2
127.02415	0.8
129.03973	0.4
131.99693	0.6
132.95847	1.4
134.99678	0.4
136.04628	0.3
137.02960	25.2
137.04665	0.8
138.02982	1.3
142.03494	1.6
145.03455	4.3
146.03593	2.2
146.99615	0.3
147.05070	0.4
150.00731	0.4
150.96857	1.1
159.04980	0.3
163.04568	1.9
164.04648	1.1
169.03461	0.8
169.05232	2.4
171.05040	0.4
172.94278	0.3
173.01268	0.9
173.02988	0.3
187.04520	5.0
187.06271	1.2
187.09955	2.0
190.95352	0.5
190.98605	0.7
191.02194	0.9
191.03995	0.7
191.97188	0.6
192.04153	1.0
193.00063	0.5
197.04663	1.2
205.05585	6.1
205.07352	0.6
205.11006	1.1
211.01166	0.5
215.03992	18.8
215.05797	3.4
215.09526	1.0
215.13969	0.9
219.79643	0.3
232.96393	1.0
233.05035	20.9
233.06769	1.4
233.10403	3.4
238.05605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50883	38.7
52.97038	37.3
55.35978	35.3
63.77701	42.3
64.91692	45.9
69.59013	80.6
69.59404	100.0
98.71923	33.2
159.35942	43.3
216.05449	73.3
226.65866	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1596
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
57.07064	1.5
67.63162	0.4
69.17834	2.8
78.55027	0.5
82.87157	0.6
86.06081	1.2
86.09706	100.0
87.10033	0.6
89.06023	0.7
102.55595	0.6
116.10747	1.2
128.10716	53.2
129.94817	0.5
146.11732	0.6
170.11758	63.0
174.14905	7.4
180.65359	0.6
216.15996	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	217.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
56.96567	100.0
59.69224	0.3
67.05499	0.4
70.06581	2.5
70.70489	0.5
71.04989	0.5
71.95265	0.5
72.08173	0.8
74.06088	0.4
74.97613	0.7
83.04970	3.3
89.06033	1.0
98.97581	3.5
101.06019	1.5
102.91556	0.3
103.00622	0.7
108.99644	0.6
110.97614	0.4
111.04448	5.9
112.08769	0.5
113.06059	0.4
114.09229	0.4
115.08704	0.9
116.07087	1.4
116.98631	1.4
118.94163	0.3
119.01882	0.7
121.01666	2.4
124.42579	0.4
124.99104	3.8
127.00680	6.7
127.07570	0.7
129.05476	0.8
132.46727	0.4
136.99104	9.6
143.00162	6.7
145.01727	3.3
154.08638	0.5
155.00159	42.4
155.07034	6.1
158.08084	1.7
158.09218	0.7
161.01231	4.1
162.15952	0.4
170.99615	1.1
173.01222	50.3
173.08084	5.3
174.99117	0.4
175.01610	0.5
176.02231	0.5
179.02354	0.3
189.00681	3.4
191.02277	25.8
196.02795	0.4
199.09454	0.6
200.10197	0.7
207.01753	2.4
208.52571	0.3
209.03337	11.1
217.00191	10.4
217.03558	0.6
217.10667	3.4
217.12935	3.1
235.01257	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	217.0861
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
51.57769	0.2
54.46316	0.2
55.05434	2.7
55.05724	0.4
59.04951	0.3
68.99712	0.7
69.00048	0.2
83.04980	4.5
83.08560	0.3
85.06502	0.4
87.04417	0.5
89.02329	0.3
89.06027	1.2
91.05426	0.6
101.06007	1.9
105.06953	0.9
111.04446	8.1
113.05927	0.5
115.05452	1.2
115.06127	0.2
117.06950	0.8
118.87281	0.2
119.08536	0.3
121.10128	0.2
127.07490	0.8
128.06216	3.3
129.04729	0.2
129.05534	1.4
129.06999	3.4
130.07771	0.5
131.04874	0.8
131.08507	0.6
133.06503	1.7
143.08482	0.6
145.06487	1.7
146.03580	0.3
146.07233	1.1
155.07033	10.4
156.05719	2.1
157.06459	0.6
157.90533	0.2
159.04396	0.5
159.07991	0.3
159.11719	0.6
165.99945	0.2
171.07997	0.8
173.05988	1.4
173.08086	7.4
174.06761	11.2
189.09097	100.0
190.09503	1.2
199.09641	0.7
217.08630	42.8
217.10713	7.1
218.09015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	6.3
58.06592	0.4
62.06078	0.5
69.57991	0.9
70.06593	11.1
71.08630	4.2
74.06076	0.3
75.47659	0.2
86.06053	0.3
88.07628	18.9
94.42399	0.2
102.09183	5.0
106.08666	9.9
127.21932	0.2
156.17484	0.7
174.18501	1.0
200.20084	7.6
218.21147	100.0
219.21492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49601	0.1
57.07076	5.7
57.95115	0.1
58.04147	0.1
58.06590	0.6
62.06078	0.4
68.05024	0.2
69.07035	0.1
70.06593	10.7
71.08630	3.9
74.05722	0.2
74.06097	0.3
85.00352	0.2
86.06036	0.3
88.07632	15.6
102.09184	4.3
106.08669	8.7
125.18648	0.2
156.17490	0.4
174.18564	0.9
200.20107	6.7
218.21152	100.0
219.21490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06798	0.2
50.19683	0.2
55.05500	0.3
56.05855	0.2
56.27231	0.2
57.07073	6.7
58.06598	0.3
62.06087	0.4
67.33205	0.2
68.04997	0.3
69.07051	0.3
70.06590	12.2
71.08629	4.0
83.04994	0.4
84.05273	0.3
88.07629	16.9
91.05440	0.3
95.08610	0.3
98.23521	0.5
101.06019	0.3
102.09177	5.0
106.08666	9.3
107.08591	0.4
111.04427	0.5
112.04771	0.7
120.08084	0.4
156.07336	0.7
156.17441	0.6
161.13332	0.3
174.08412	0.7
174.18524	0.7
200.20093	7.3
201.16255	0.3
203.06967	0.2
218.11623	1.3
218.21143	100.0
219.17534	0.4
219.21506	1.1
228.86824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67827	0.2
55.05514	0.4
57.07077	5.8
58.06592	0.5
60.04547	0.2
60.82036	0.3
62.06076	0.5
68.05035	0.3
69.31416	1.2
70.06593	11.5
71.08628	3.9
74.06101	0.4
77.97224	0.2
83.04955	0.3
87.56860	0.2
88.07632	17.2
91.05432	0.3
92.43243	0.2
93.07040	0.3
95.04949	0.2
95.08555	0.2
102.09185	4.4
105.07021	0.4
106.06531	0.3
106.08669	9.1
110.42770	0.2
111.04424	0.4
112.04811	0.4
114.79469	0.3
120.08112	0.3
127.86356	0.2
139.43198	0.2
156.07352	0.5
156.17461	0.6
174.08479	0.5
174.18521	0.9
181.58760	0.2
200.18243	0.4
200.20103	8.4
201.16464	0.3
218.11259	0.7
218.21152	100.0
219.17416	0.7
219.21556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81317	0.1
53.57178	0.1
55.05518	0.2
57.07078	6.3
58.06594	0.6
60.04535	0.1
62.06094	0.5
68.05019	0.1
70.06594	11.1
71.08633	3.6
74.06086	0.2
86.06052	0.2
88.07633	16.6
98.22604	0.2
98.25642	0.1
102.08635	0.1
102.09183	4.7
106.08671	8.8
106.25308	0.1
145.58919	0.1
156.17485	0.4
174.18538	1.2
180.22853	0.1
200.20093	7.2
214.05293	0.1
218.21153	100.0
219.21471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38078	17.5
72.08160	31.0
74.82471	19.1
80.57745	17.9
80.78617	20.4
84.08132	100.0
91.61186	15.7
98.22681	25.9
130.08693	26.5
144.52214	19.7
219.02606	74.2
219.17116	44.4
222.53488	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.7
55.01876	7.2
55.05510	1.1
56.05032	0.8
56.96568	17.0
57.03445	1.2
58.96166	2.3
58.99868	2.0
59.05006	3.3
60.04522	1.5
61.02927	7.9
64.95553	0.7
67.85744	0.7
68.99786	6.3
69.03430	2.8
69.07069	0.8
70.50073	1.4
71.01357	100.0
72.08160	2.8
73.02922	3.6
74.06084	1.5
75.04483	21.7
77.00944	0.6
82.01460	1.4
83.01276	1.1
83.04984	0.7
84.04513	1.9
84.08161	3.4
84.96041	3.4
85.02911	6.1
86.03247	1.3
86.09719	1.5
87.04484	2.3
89.02416	1.0
89.06019	0.7
90.09209	1.6
97.02898	2.0
98.97587	50.5
99.00822	3.6
99.97923	1.0
100.02507	2.5
101.00900	0.6
101.02379	6.2
102.05979	0.7
103.03946	30.0
104.74769	0.6
106.93447	0.7
111.00810	8.6
111.04428	0.6
112.99154	1.1
113.02379	6.5
115.03931	0.7
115.40640	0.7
116.98625	32.7
117.01849	9.2
118.03528	1.4
119.01941	2.2
119.03447	2.1
121.01689	1.6
121.10170	1.0
125.02365	1.0
127.00276	12.1
127.02438	2.8
128.98639	1.3
129.01840	6.2
129.04002	0.9
130.04985	1.0
130.08646	0.8
130.10501	0.7
131.00188	1.4
131.03406	64.8
133.04951	3.1
133.10150	0.7
134.09636	0.7
134.99657	10.4
135.00603	1.1
141.01817	7.6
142.02614	2.8
143.03427	2.9
145.01341	8.3
145.03494	23.4
145.04971	7.4
146.99721	0.7
147.03201	1.4
147.05074	1.9
149.01230	1.2
149.04463	1.4
150.04054	1.4
153.00708	1.2
155.00153	4.7
157.03650	1.0
157.04973	12.0
158.99712	3.6
159.02896	72.4
163.04532	11.3
165.04407	0.8
168.05081	20.0
173.01254	11.4
173.02820	1.0
173.04497	1.3
175.04578	0.8
175.08548	1.1
177.00734	8.7
177.04094	1.2
186.06108	8.1
191.02295	8.1
191.04050	7.6
191.05505	1.0
195.01772	2.5
196.04581	2.2
201.00906	1.0
201.02525	2.7
202.10844	0.9
203.14333	4.0
209.05032	1.0
214.05676	2.7
218.17607	1.2
219.01852	7.5
219.03574	10.2
219.11298	1.5
219.17422	15.4
237.02950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.49526	0.5
57.03410	0.5
65.13134	0.5
67.05511	0.4
69.31347	1.5
91.05476	6.2
95.04990	0.6
103.05481	1.2
105.07047	0.8
115.05448	6.4
116.06219	1.9
117.07025	2.0
119.08536	0.6
128.06219	6.5
129.06999	27.3
130.04126	0.5
130.07756	2.0
130.10529	0.5
131.04929	6.0
131.08566	28.1
132.08853	0.7
137.05952	2.7
140.06235	0.7
141.06984	24.6
142.07759	0.7
143.04915	1.4
143.08578	1.0
143.88080	0.5
144.05692	3.7
145.06480	4.3
146.07253	3.2
147.04373	0.8
148.05180	1.6
155.06023	0.9
157.06480	15.0
158.06012	1.0
158.07269	15.4
159.04459	2.3
159.06728	1.1
159.08046	21.9
160.05191	3.9
161.05975	1.2
161.09564	2.8
163.07524	1.9
168.05624	0.7
169.06453	9.6
169.07658	1.2
170.07260	6.5
171.04320	0.7
171.08026	1.4
173.06036	3.6
173.09612	1.2
174.06760	59.5
175.07516	8.2
176.08299	0.6
185.05905	0.8
186.06757	13.1
187.07553	1.2
188.08310	2.8
189.09097	73.3
190.09496	0.6
191.07007	0.9
191.10645	6.3
201.09094	31.4
219.10150	100.0
219.17360	1.8
220.10384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.29158	0.7
57.28827	0.6
62.33895	0.7
69.38289	2.6
69.38683	1.3
75.74258	0.8
85.63784	0.6
91.04926	0.8
91.05477	7.5
94.06171	0.6
98.22647	0.8
103.05447	1.6
105.07023	1.1
115.05428	6.1
116.06233	2.4
117.07025	1.5
128.06206	4.8
129.07005	32.4
130.07819	1.1
131.04915	5.3
131.08566	27.5
133.06529	0.6
137.05962	3.3
137.21243	0.6
141.05898	1.4
141.06990	27.2
143.04895	1.5
143.08530	1.4
144.05725	4.8
145.06487	5.3
146.07281	4.0
147.04340	0.7
148.05186	0.9
151.07520	1.0
155.05963	0.9
157.06483	14.5
158.07275	15.4
159.04430	2.6
159.08047	22.0
160.05222	3.4
161.05995	1.1
161.09602	2.7
162.08040	0.7
163.07553	1.3
168.05664	0.9
169.06473	11.7
169.07713	1.2
170.07222	5.3
171.08017	1.1
173.05925	3.1
173.09624	1.1
174.06763	58.6
175.07545	9.0
181.99670	0.6
186.06757	15.8
187.07475	1.3
188.08325	2.8
189.09102	79.3
190.09473	1.1
191.07001	1.1
191.10699	6.6
201.09100	29.9
219.10158	100.0
220.10609	1.2
220.65854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	5,6-Dimethoxy-2-isopropenylbenzofuran
Peak:m/z	Relative Intensity
56.96537	0.4
57.73118	0.1
69.93785	0.1
69.94109	0.2
77.03908	0.1
81.07019	0.1
91.05460	0.8
95.04957	0.1
105.07033	0.1
106.04140	0.1
109.06504	0.2
121.06494	0.5
131.08536	0.2
133.06493	0.1
134.07239	0.1
135.08028	0.3
136.92163	0.2
139.07533	0.3
148.08813	0.2
154.93184	0.4
159.08040	0.2
160.08826	0.2
161.05977	0.6
163.11148	0.5
165.05461	0.3
172.94275	0.5
175.07533	2.5
176.08322	7.2
177.09079	0.1
183.44453	0.1
189.05479	0.9
190.95279	0.3
191.10637	0.3
203.07024	0.4
204.07805	18.2
205.08145	0.3
219.10146	100.0
220.10464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.26654	0.4
56.96568	1.1
57.07093	0.7
60.04524	100.0
69.07067	0.6
70.02963	1.1
72.08147	1.6
74.02428	2.3
74.06053	0.8
84.08148	0.8
85.06557	0.9
85.08454	0.6
86.09702	67.4
87.05590	3.8
90.05552	0.9
95.08614	0.7
96.04460	0.6
98.97576	5.6
116.98637	2.7
119.08599	0.5
121.10152	0.7
128.10716	2.7
132.10197	53.3
134.99651	1.1
136.93080	0.8
155.11829	0.6
156.10185	0.9
172.09595	0.5
172.94159	0.9
173.12856	29.6
174.11247	1.3
176.46161	0.5
177.00702	0.8
184.09692	1.0
186.57986	0.5
191.01247	0.5
201.12360	5.8
202.10817	0.7
203.14244	1.5
219.11327	1.3
219.13377	13.1
219.17451	6.8
220.11739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03948	2.7
55.05511	17.8
55.38861	2.6
56.96566	17.1
57.07067	6.7
67.05502	28.6
69.03425	2.9
69.07077	20.4
69.23052	16.7
71.04979	14.8
73.94061	2.9
79.05492	22.4
81.07058	48.3
83.04535	3.5
83.04990	46.1
83.08611	5.2
85.06506	3.4
91.05470	16.0
93.07056	57.8
95.04958	3.6
95.08608	35.6
97.06559	4.9
97.10176	3.1
105.07028	49.7
107.08597	37.1
109.06461	6.4
109.10165	71.6
111.08024	4.0
117.07018	9.7
119.08588	38.9
121.10150	27.8
123.08036	6.3
123.11678	3.5
125.09608	5.1
127.11183	9.6
131.08595	15.1
133.10121	12.8
135.08063	5.1
135.11707	19.1
136.92101	3.3
137.09631	6.4
145.10130	64.6
147.11674	12.2
149.09607	7.7
154.93242	9.2
157.07510	2.8
157.10031	3.6
159.11697	23.3
161.13231	12.6
163.11223	18.0
172.94252	21.1
173.13234	11.3
175.14856	6.8
177.12738	3.9
181.28151	3.2
190.95302	24.6
191.17935	5.2
195.95889	4.1
201.16376	33.8
203.14307	6.6
213.97044	7.6
219.11609	3.1
219.14000	4.7
219.17448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05511	7.6
57.07069	1.7
67.05509	17.0
68.02241	1.1
69.07078	7.9
71.05006	8.1
77.03936	1.6
78.91540	1.0
79.05495	17.6
81.07059	43.0
83.04994	2.1
83.08620	4.5
85.02912	1.7
89.46907	1.1
91.05485	18.9
91.69350	1.0
93.07053	43.6
95.04970	3.2
95.08616	41.3
97.06528	5.3
103.05442	1.4
105.07033	60.8
107.04974	1.2
107.08600	40.8
109.06512	4.7
109.10160	20.2
111.08083	2.7
113.04919	1.1
115.05473	2.1
116.62452	1.1
116.66846	0.9
117.07026	11.9
119.08593	29.8
121.06476	1.9
121.10163	20.5
123.08082	5.5
123.11723	4.9
125.09635	4.4
127.11145	1.1
129.06970	2.2
130.07788	2.3
131.08574	40.1
133.08604	1.2
133.10139	30.5
133.11147	1.9
135.08096	2.3
135.11710	12.6
137.09599	2.9
139.11183	1.5
143.08588	2.6
144.09293	1.9
145.10132	58.4
147.11682	9.0
149.09628	3.1
149.13264	5.4
159.08080	2.6
159.11702	39.8
161.13275	12.6
163.11188	7.0
173.13268	17.7
175.14799	6.6
177.12772	3.4
177.16405	1.2
189.09073	1.9
189.16364	3.1
191.14290	1.2
191.17909	3.0
201.16388	100.0
203.14346	1.9
206.78058	1.1
219.06413	1.4
219.10173	3.2
219.13983	2.5
219.17453	89.9
220.17715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03950	2.1
54.86632	2.0
55.05508	17.0
56.96562	14.5
57.07064	3.4
59.05001	3.1
67.05505	29.8
69.03430	11.8
69.07069	27.2
69.45826	7.9
71.04980	8.2
79.05495	28.9
81.07054	100.0
83.05000	4.5
83.08596	6.6
91.05467	17.8
93.07050	43.7
95.04969	9.3
95.08606	34.4
97.06534	15.0
97.10184	2.6
98.23417	4.1
105.04503	2.3
105.07028	36.5
107.08595	44.7
109.06508	12.0
109.10157	49.7
111.04427	2.8
111.08099	3.3
115.23006	2.0
116.34441	2.0
117.07014	9.8
119.08590	37.7
121.06503	4.0
121.10141	33.2
123.04450	2.5
123.08076	8.4
123.11722	7.6
125.09642	2.3
127.11175	3.1
129.07040	1.9
130.07799	3.0
131.08560	16.4
133.10146	14.1
135.08055	4.2
135.11681	31.5
137.09616	8.6
138.10365	10.4
143.08510	2.2
144.09325	3.2
145.10130	32.0
147.11688	36.1
149.09615	5.8
149.13275	7.3
151.11131	7.3
153.88770	2.2
154.93214	6.2
157.10114	2.7
159.11717	22.0
161.13266	15.5
163.11198	35.8
168.47302	2.4
172.94263	15.2
173.13232	3.8
175.14909	2.6
177.12744	7.3
190.95288	14.0
191.09702	8.1
191.17911	3.6
195.32500	2.2
195.95882	2.7
201.09071	2.7
201.16359	25.1
203.14243	5.8
213.96828	2.6
219.17444	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03936	1.7
55.05510	4.3
57.07069	1.2
64.34595	0.9
67.05506	6.6
69.03438	1.2
69.07066	5.1
70.35448	1.5
71.04996	31.2
72.15503	0.8
79.05486	4.5
80.74254	0.8
81.07065	16.9
83.04990	2.2
83.08600	1.8
85.06549	4.5
91.05486	12.6
93.07047	20.7
95.04978	1.9
95.08613	24.3
97.06541	4.2
99.08054	1.2
104.61641	0.8
105.07032	53.3
107.07874	0.6
107.08588	17.7
107.09258	1.5
109.05848	0.9
109.06537	3.9
109.10166	10.2
111.08111	1.7
113.09642	1.7
115.05455	1.5
117.07025	4.6
119.08586	43.1
121.06534	1.2
121.10142	10.1
123.08110	4.3
123.11723	4.0
125.09629	10.9
127.11203	3.8
130.07794	2.1
131.08565	12.5
133.10132	100.0
135.11697	5.8
137.09602	3.6
139.11203	1.5
143.08574	1.9
144.09317	1.0
145.10123	17.6
147.11707	13.8
149.09554	1.1
149.13260	3.5
151.11186	1.4
157.10213	1.4
159.11707	23.1
161.13243	12.0
163.11205	4.1
173.05995	1.4
173.13292	10.8
175.14877	5.1
177.12762	3.7
189.09149	1.1
191.14296	4.1
191.17952	3.5
201.16386	22.8
219.10168	2.1
219.17448	81.9
220.13341	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	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.36147	1.3
52.70401	1.5
53.48591	1.2
55.05498	6.1
55.87695	1.2
57.07059	1.9
67.05496	8.5
69.03425	1.9
69.07063	6.9
69.37488	1.3
70.35432	2.5
71.04635	2.5
71.04997	34.4
79.05502	6.3
81.07054	15.7
83.04976	3.0
83.08642	2.6
85.06547	5.0
91.05489	17.6
93.07040	23.1
95.04964	1.9
95.08604	24.8
97.06529	4.2
99.08060	1.9
105.07034	52.6
107.08596	21.3
109.06505	5.4
109.10175	8.9
113.09658	2.0
115.05444	3.2
117.07024	6.2
119.07750	2.2
119.08585	44.0
121.10139	12.3
122.59921	1.6
123.08054	5.5
123.11672	1.6
125.09641	12.7
127.11198	3.3
129.07019	2.2
130.07771	2.4
131.08592	14.1
133.10132	100.0
135.11681	4.0
137.09592	4.7
139.11203	2.4
145.06549	1.9
145.10121	20.2
147.11673	12.7
149.09622	1.7
149.13257	2.5
158.91931	1.2
159.04379	2.1
159.08105	2.0
159.11700	24.9
161.13260	9.6
163.11177	6.0
173.05962	2.8
173.13268	13.0
174.06767	3.0
175.14867	4.8
177.12758	3.9
189.09103	3.2
191.14317	5.3
191.17885	1.9
201.16383	25.7
201.18118	2.5
219.10081	6.9
219.17442	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01876	1.2
57.07075	6.7
59.05009	5.2
67.05501	4.6
69.07071	6.4
70.02943	5.9
71.04940	0.8
72.04517	15.1
73.02920	3.0
74.02439	2.3
78.68488	0.6
83.04971	0.6
84.06336	0.5
85.06548	10.8
86.09695	1.5
87.08088	1.8
87.32737	0.6
90.05556	100.0
95.04971	5.7
96.08123	1.8
97.68040	0.6
97.80162	0.6
98.02419	16.5
100.03971	2.4
103.07587	7.5
113.05994	3.1
116.03462	12.2
124.07595	15.4
131.07033	1.2
135.20299	0.6
141.71214	0.6
142.08643	7.7
144.79666	0.7
156.10191	1.5
160.09691	2.1
166.08624	2.0
174.09883	0.6
174.11226	4.1
178.84180	0.6
184.09700	21.5
202.10742	30.7
205.15860	0.8
217.24777	0.6
220.11792	40.3
237.98676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.46050	0.7
57.07078	6.1
59.05006	4.4
60.04509	0.6
61.02909	0.6
67.05515	5.9
69.07075	5.7
70.02950	7.2
72.04520	15.6
73.02919	3.8
74.02438	1.3
83.04992	1.0
85.06550	10.3
86.09692	0.9
87.08118	2.2
90.05556	100.0
95.04960	6.8
96.08138	1.8
98.02417	16.5
100.03982	1.5
103.07569	8.0
113.06032	2.8
116.03453	15.3
117.23061	0.8
124.07591	17.2
136.06168	0.9
142.08635	7.5
156.10193	1.1
160.09654	2.2
166.08623	2.3
174.11298	3.1
184.08041	1.0
184.09697	22.2
202.10745	30.8
220.11794	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	220.1334
Annotation	Ritalinic acid
Peak:m/z	Relative Intensity
55.01861	0.5
55.05511	0.5
56.05038	1.8
57.03453	0.3
57.07063	0.2
65.75201	0.2
67.05505	1.2
67.61303	0.2
68.05013	0.5
69.00159	0.2
69.03424	1.3
70.06605	1.5
71.45045	0.3
72.08147	0.5
76.96780	0.2
79.05483	0.9
80.05003	0.8
81.07058	2.2
82.06587	1.7
83.13707	0.2
84.08147	12.1
86.99040	0.3
87.02699	0.3
87.04472	0.3
90.05514	0.2
91.05504	1.2
93.05795	0.4
93.07053	1.6
94.06560	0.6
95.04972	0.5
95.07356	0.8
95.08618	2.5
96.08139	1.2
97.02884	0.7
97.08916	1.4
103.05437	0.2
105.07023	2.2
106.06509	0.3
107.08590	0.5
108.08118	0.6
109.06504	0.7
110.06008	0.4
110.09677	0.9
111.04420	0.6
117.07006	0.3
119.08599	1.1
120.08117	1.6
120.60132	0.2
121.06498	1.1
121.08877	0.5
121.10145	0.7
122.02760	0.5
122.09674	3.4
123.04448	2.0
123.08067	1.1
123.10455	4.1
124.11191	0.4
129.06999	0.9
131.08560	1.6
133.06496	1.9
133.10133	0.4
134.09637	0.8
135.08066	0.4
136.06213	0.8
136.07567	0.2
137.05968	1.1
137.09761	0.2
145.10146	0.4
146.09662	0.5
147.08037	1.0
148.11214	0.6
149.09604	0.8
150.09125	0.6
151.07552	3.8
157.10124	0.4
159.08032	0.6
160.07610	0.2
160.11229	0.3
161.09590	0.3
163.11147	0.3
164.10652	0.5
164.14340	0.3
165.09116	0.8
174.09108	0.5
174.11382	0.4
174.12733	2.2
176.14388	0.2
177.09103	1.0
178.08629	0.4
185.09637	0.4
192.13835	5.6
202.08971	0.4
202.12256	1.7
204.14699	0.3
205.15910	0.9
220.13330	100.0
221.13701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1699
Annotation	Fabianine
Peak:m/z	Relative Intensity
60.88322	0.1
61.89245	0.1
69.35817	0.4
84.08121	0.2
93.05821	0.1
106.06608	0.1
112.54616	0.1
118.06547	7.8
119.07314	0.3
120.08127	0.1
132.08090	2.5
132.09059	0.2
133.08885	1.1
134.09650	0.6
142.97255	0.1
144.08119	0.2
145.08914	0.1
146.08546	0.2
146.09647	2.4
147.10452	0.4
148.11240	0.1
160.11235	0.4
161.11995	0.1
162.09149	5.0
174.12770	0.1
176.10791	3.4
176.14352	23.4
177.11470	1.0
177.14673	0.3
177.55170	0.1
178.12318	0.2
189.15146	0.2
190.12262	2.7
191.13004	0.2
194.01576	0.1
202.15871	0.7
204.13850	0.2
220.16969	100.0
221.17336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29567	0.1
66.87383	0.1
69.44199	0.5
91.05361	0.1
105.07034	0.2
106.06578	0.1
107.08571	0.1
117.05701	0.1
117.06961	0.1
117.09545	0.1
118.06542	8.4
119.07345	0.2
120.08155	0.1
122.10432	0.1
132.08080	2.3
133.08878	1.1
134.09616	0.5
142.07350	0.1
144.08089	0.2
146.09619	2.3
146.10684	0.2
147.10393	0.2
148.11186	0.2
160.11185	0.6
161.12041	0.2
162.09137	4.7
163.09880	0.2
170.06958	0.1
176.10785	3.4
176.14340	26.2
177.11487	1.3
177.14709	0.3
178.12221	0.1
189.15059	0.2
190.09576	0.2
190.12267	2.9
191.13045	0.3
202.09448	0.1
202.15904	0.9
204.13763	0.2
220.16957	100.0
221.17279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63311	0.5
56.96574	4.3
57.07061	1.1
58.99870	1.8
59.35556	0.5
68.76972	0.5
70.06593	0.6
71.11994	0.4
71.44299	0.5
72.08153	4.2
76.43453	0.5
79.65095	0.4
82.01446	30.9
82.99837	0.6
83.01519	0.5
88.33978	0.5
91.66216	0.5
93.91795	0.5
97.63431	0.4
98.97581	8.9
100.02486	82.4
101.00889	6.6
101.02596	0.6
116.98621	5.4
118.03523	67.7
119.01925	23.6
119.03683	0.8
123.04060	1.0
124.02473	0.6
134.99677	1.8
136.04559	33.7
137.02986	5.6
138.91745	0.8
138.95531	0.9
141.05051	0.5
142.03508	5.4
155.11792	0.5
156.92857	1.9
156.96527	2.4
160.04564	1.8
161.02975	5.2
161.97032	1.0
174.93747	4.3
174.96243	0.5
174.97662	2.0
177.00935	1.5
179.00728	6.0
179.02525	1.0
179.04021	11.1
179.98122	45.8
180.98494	0.6
184.99689	0.5
192.94928	2.7
194.91295	0.6
194.96486	2.4
195.98288	0.7
197.99184	100.0
198.48471	0.9
198.99220	1.1
202.99507	4.0
203.97043	3.0
204.14586	0.6
204.47231	1.2
205.15826	1.1
207.49052	2.0
212.92366	0.6
215.96941	1.3
216.00237	37.9
216.98637	1.3
219.02119	0.7
221.01883	30.4
221.15147	0.8
236.84987	0.5
238.95602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.87342	0.4
52.34361	0.4
52.63595	0.3
52.73375	0.4
57.07061	0.6
70.67442	0.4
72.08141	0.4
82.02936	1.6
91.17391	0.4
94.06558	3.1
104.04935	0.5
109.88119	0.4
114.44606	0.4
115.05437	0.4
120.08154	0.7
121.89909	0.3
130.06529	45.2
132.04453	29.9
144.00447	0.4
147.09178	0.4
148.07594	0.7
157.07617	19.3
158.06017	65.6
159.06396	0.7
175.08669	100.0
176.07085	2.0
176.09081	0.8
186.05569	1.3
195.09941	0.4
203.08151	1.8
204.06583	3.9
220.17831	0.5
221.09221	28.1
222.09621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.96571	5.8
57.07070	1.4
60.95842	1.4
70.60426	1.4
72.08153	1.2
74.06084	0.7
76.34786	0.7
78.01038	0.6
82.02941	2.6
90.05532	0.8
94.06564	5.0
95.01334	1.0
95.08618	0.6
98.97598	4.5
100.02516	0.7
101.87025	0.6
103.03942	0.6
103.05452	0.9
109.96932	0.7
115.03920	0.6
115.05467	1.2
116.98598	1.4
119.01904	3.0
120.08102	1.5
129.03992	2.3
130.06531	84.6
130.47224	0.6
132.04456	44.6
133.04677	0.6
134.06004	1.2
137.02917	0.8
141.05440	1.0
147.03128	0.8
147.05042	1.0
147.09129	1.1
148.07539	3.6
156.06784	0.7
157.03465	1.5
157.06273	1.5
157.07616	59.0
158.06020	87.5
161.02943	0.8
175.02808	3.1
175.04475	3.7
175.08672	100.0
176.07045	2.6
176.08975	0.9
177.00569	0.8
178.75070	0.6
179.02452	0.8
179.03984	1.1
182.97160	0.6
185.07066	1.7
186.05492	2.7
193.03853	1.8
193.05556	1.2
198.04501	0.7
198.06139	2.6
203.08163	34.2
204.06552	6.5
220.17809	1.5
221.01501	0.8
221.09241	25.1
221.12599	4.3
221.16385	0.9
222.14769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
54.09037	0.5
57.07061	1.0
67.05499	0.8
71.46045	0.5
79.05519	0.6
80.27329	0.4
85.06538	2.2
91.05477	6.5
93.07034	5.3
95.04958	1.0
95.85672	0.4
98.97575	0.7
103.05475	0.6
105.07056	0.5
107.04956	17.6
115.05476	0.9
119.04945	10.1
119.05736	0.9
121.06512	14.9
127.58472	0.4
128.06195	0.9
129.06938	0.6
131.04895	0.5
131.07608	0.5
131.08545	0.8
132.04672	0.4
133.10220	0.5
134.03598	0.7
137.05956	1.2
140.15924	0.5
143.08563	1.1
145.06487	7.7
149.05975	100.0
150.06332	0.9
151.07521	1.6
159.08060	6.7
161.05965	3.7
161.09622	13.6
163.07455	0.8
165.05449	0.5
171.08026	1.1
175.07506	1.8
177.09084	1.4
179.10672	2.0
192.67471	0.5
203.10689	10.4
221.11720	99.7
222.12013	1.1
222.14757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03945	2.1
55.01875	1.1
55.05258	1.1
55.05514	15.8
56.63724	0.6
57.07075	4.2
59.05006	8.2
65.03942	1.5
67.05505	12.8
69.03426	2.1
69.07070	42.3
69.45015	2.6
71.04993	7.5
73.06564	1.2
75.95557	0.7
79.05497	20.6
81.07057	100.0
83.04968	0.7
83.08624	8.6
85.06546	1.9
85.10220	0.7
91.05479	7.9
93.06448	1.0
93.07044	22.7
95.04971	2.7
95.08610	26.1
95.09223	1.4
97.06542	4.7
97.10165	2.3
98.97561	1.8
99.08100	2.3
105.04504	0.7
105.06349	1.4
105.07031	24.8
107.04966	0.9
107.08593	31.9
109.06521	4.6
109.10160	24.5
111.08089	3.6
111.11738	6.2
114.51773	0.7
115.18113	0.8
116.98606	1.1
119.08583	30.0
121.10139	13.6
123.08052	2.1
123.11707	12.9
125.09605	3.1
127.11178	2.5
131.08548	0.9
133.10129	14.9
135.11702	23.2
137.09598	3.7
137.13274	1.6
139.11166	3.1
141.05406	0.7
145.10104	1.5
147.11679	19.1
149.13254	6.5
151.11203	2.8
153.12758	2.5
158.01294	0.9
161.13271	6.8
163.14803	3.6
165.12791	3.2
175.14827	1.9
177.16415	0.9
203.10643	0.8
203.17955	17.8
204.18393	0.8
221.08095	2.3
221.11740	1.6
221.15581	0.9
221.19006	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01837	1.1
55.05251	1.3
55.05507	14.0
57.07085	5.5
59.04992	2.4
67.05501	15.7
69.07063	21.5
71.04991	5.4
79.05492	9.6
80.78506	1.1
81.07053	40.1
83.04967	4.2
83.08622	13.4
85.06506	2.7
85.10193	1.3
91.00638	1.1
91.05469	8.9
93.07046	18.4
95.04951	2.3
95.08603	51.8
97.06515	2.6
97.10155	5.4
98.97554	1.1
99.08083	1.1
100.68726	1.0
104.39120	1.4
105.06348	2.2
105.07027	32.0
107.08589	38.4
109.06506	2.7
109.10157	36.3
111.08088	4.0
111.11681	2.5
119.08573	26.8
121.10137	21.9
123.08100	1.8
123.11687	10.4
125.09609	11.3
127.49964	1.1
133.10118	20.2
135.11678	7.4
137.05989	1.3
137.09607	1.3
137.13251	1.9
139.11221	2.9
145.10149	2.5
147.11681	40.5
149.13248	2.8
151.11162	3.2
153.12755	2.0
161.11920	1.4
161.13263	19.0
163.13469	1.7
163.14781	12.7
165.12755	6.8
175.14807	13.5
177.16347	6.6
203.17947	100.0
204.18259	1.5
221.18985	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	2.0
55.01876	1.5
55.05510	12.0
57.07083	3.9
59.05012	3.2
60.00849	1.3
65.03946	1.3
67.05507	10.9
68.95607	1.1
69.03445	2.8
69.07067	28.3
69.35312	2.8
69.35718	4.7
71.04994	18.1
79.05495	19.2
81.07059	100.0
83.04967	1.4
83.08630	5.3
85.06564	1.5
91.05463	9.3
93.07044	32.2
95.04965	3.0
95.08611	27.9
97.06551	2.8
97.10184	1.9
98.22681	2.6
98.97611	3.2
99.08108	3.1
104.68752	1.1
105.07037	33.1
107.08602	39.4
109.06535	4.3
109.10153	27.7
111.08089	1.4
111.11738	4.5
113.09640	1.7
117.07069	1.6
119.08588	51.7
121.10155	13.2
123.08051	1.4
123.11709	12.7
125.09612	3.0
127.11197	7.2
133.10130	15.3
135.11694	48.7
137.09612	3.4
137.13315	2.5
139.11252	1.4
140.30896	1.3
145.10071	1.5
147.11697	23.0
149.13252	12.1
151.03905	1.9
151.11206	2.2
153.12793	1.7
161.05951	2.0
161.13287	7.3
163.14832	4.2
165.12767	2.4
175.14815	1.9
177.16418	2.2
191.07042	1.3
193.08591	2.0
197.52249	1.7
203.17961	28.5
221.08032	9.5
221.15497	1.9
221.19014	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.31822	1.6
54.87631	1.7
54.91916	1.8
55.05513	12.8
55.97818	1.9
57.07054	8.8
62.18158	1.7
67.05502	11.1
69.07066	22.9
71.04968	4.8
79.05485	8.4
81.07056	37.1
83.04980	2.6
83.08630	9.8
85.06544	4.3
88.68457	2.2
91.05481	9.4
93.07058	21.7
95.08605	49.0
97.06542	2.4
97.10168	7.0
98.28618	1.8
98.97591	9.2
99.08136	2.4
105.07029	35.1
107.08602	40.0
109.06512	4.1
109.10148	34.7
111.08088	3.3
116.98603	4.3
119.08575	28.9
121.10136	21.4
123.07999	2.3
123.11705	12.0
125.09622	13.8
133.10130	24.9
134.99640	2.6
135.11674	7.2
137.09602	5.3
137.13208	2.2
139.11150	5.0
147.11684	40.2
149.13257	3.2
151.11163	4.9
152.35251	1.9
153.12679	2.1
153.33728	1.9
158.01208	2.2
161.06050	2.1
161.13284	19.6
163.14822	12.1
165.12730	8.7
175.14807	15.7
177.16357	8.4
203.17950	100.0
203.61726	1.6
221.07962	2.9
221.15555	3.6
221.18996	77.6
240.02437	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05512	19.4
55.41093	1.2
57.07069	7.5
58.21250	1.3
59.05005	3.4
67.05505	21.5
69.07071	32.8
69.42887	6.2
71.04990	4.8
76.99525	1.4
79.05486	15.4
81.07059	56.4
83.04990	9.2
83.08625	12.6
85.06521	2.8
85.10174	2.9
91.05484	10.0
93.07047	29.4
95.04977	2.6
95.08607	55.4
97.06538	2.8
97.10180	7.7
98.97606	5.8
99.08074	3.4
105.07030	37.2
105.07738	2.3
107.08595	48.2
109.06501	3.8
109.10159	43.2
111.08063	5.1
111.11707	4.4
114.32658	1.4
116.98650	3.0
117.07072	1.8
119.08578	31.5
121.10143	19.1
123.08083	2.8
123.11704	14.5
125.09635	16.0
127.11174	1.6
131.08572	2.2
133.10124	26.0
134.99556	1.5
135.11690	13.8
137.09605	4.7
137.13228	3.9
139.11169	4.9
145.10081	1.4
147.11691	40.8
149.13239	4.4
151.03914	2.6
151.11145	5.3
153.12775	2.4
154.42035	1.5
159.11613	1.9
161.09630	2.8
161.13264	18.6
163.14777	11.8
165.12749	9.2
175.14822	16.9
177.16342	8.0
203.17950	100.0
204.18262	2.9
221.07899	1.9
221.15523	2.9
221.19012	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.09642	1.8
53.03924	1.7
55.05510	10.8
57.07065	5.6
59.04978	2.8
61.56223	1.5
65.34819	1.6
67.01856	2.1
67.05504	13.3
69.03434	2.0
69.07063	13.7
71.04990	22.6
79.05087	2.4
79.05491	20.8
81.07054	83.2
83.01383	1.8
83.04980	2.9
83.08604	5.7
85.06549	1.7
91.05469	14.8
93.06452	2.6
93.07042	40.0
95.04984	3.1
95.08605	37.2
97.06501	2.9
99.08105	4.4
105.07027	32.2
107.08594	62.0
109.06588	3.3
109.10159	28.6
111.08088	3.1
112.49748	1.5
113.09689	2.2
119.06892	2.7
119.08575	47.3
121.10130	13.0
123.08102	2.8
123.11681	15.0
125.09624	1.6
127.11191	8.0
131.08554	2.9
133.06479	2.9
133.10124	26.5
135.08081	2.4
135.11690	100.0
137.05989	4.1
137.09570	5.9
137.13280	3.2
138.23302	1.5
139.11148	1.9
139.14005	1.6
145.10060	1.8
147.11673	25.9
149.02361	5.3
149.13275	8.2
151.11159	3.7
161.05949	3.6
161.13239	12.7
163.14780	4.3
165.09174	3.0
165.12708	3.0
175.14813	4.6
176.14331	2.4
177.05437	6.1
177.14749	10.0
177.16103	2.3
189.05409	1.7
193.08588	8.6
203.06943	3.1
203.16122	2.5
203.17958	38.0
221.08057	65.2
221.11545	2.7
221.15242	2.4
221.17233	47.6
221.19022	41.4
221.21349	3.3
221.21878	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	222.149
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
50.06215	0.3
50.63821	0.2
54.66646	0.2
55.01870	0.8
55.05507	0.9
59.17624	0.3
62.74521	0.2
63.24074	0.2
67.05502	3.0
68.05008	0.5
69.03417	1.1
69.05817	0.5
70.06593	5.7
71.07375	2.3
71.35426	0.4
72.08149	2.5
79.05482	1.0
81.03407	0.3
81.07047	0.8
84.08144	20.0
91.05473	0.9
92.99849	0.3
93.07035	0.9
95.04971	0.9
95.08611	8.5
96.08120	0.7
97.02896	1.5
97.08921	3.1
98.09737	0.3
98.97543	0.9
105.07020	2.0
107.04947	0.3
107.08615	1.9
108.08128	0.6
109.06470	0.3
110.09681	17.0
115.05439	0.3
116.98633	0.6
120.08080	0.3
123.04431	5.6
123.08083	2.5
123.10477	0.4
124.11232	0.5
125.09613	1.6
130.06502	0.4
133.06519	1.3
134.09715	1.2
135.08073	1.4
136.11226	0.8
148.07588	0.5
148.11177	0.6
150.09155	1.7
151.07529	4.6
153.09097	0.7
162.09111	0.9
174.12822	1.3
176.06975	0.4
176.14357	2.3
187.83556	0.2
194.15414	1.4
204.13846	2.0
222.14891	100.0
223.15213	1.4
237.76051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.149
Annotation	EXALAMIDE
Peak:m/z	Relative Intensity
53.22353	0.2
61.70587	0.2
65.74742	0.2
69.03427	6.8
69.75282	0.4
70.06583	1.3
72.02798	0.2
79.05485	0.3
81.07069	0.3
84.08141	0.6
91.05457	0.3
97.02883	0.4
98.22707	0.3
105.07003	0.3
107.08599	0.7
117.07014	0.4
120.08131	0.8
121.06516	0.2
124.11209	1.7
125.09631	13.0
134.09618	0.3
135.08052	0.5
135.37447	0.2
148.11198	0.6
150.09125	0.5
160.11263	0.3
161.12103	0.3
162.09131	0.4
162.12746	0.3
176.10654	0.3
176.14359	1.9
178.15898	0.3
182.32307	0.2
186.12808	1.8
194.15399	9.2
198.99005	0.3
204.13832	7.4
222.14886	100.0
223.15248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.149
Annotation	EXALAMIDE
Peak:m/z	Relative Intensity
55.01623	0.2
55.01870	2.6
55.05494	0.3
67.05497	0.4
67.28570	0.1
69.03431	0.2
70.06599	0.8
70.20648	0.1
70.83110	0.2
70.83440	0.1
71.07371	0.2
72.08144	0.3
76.08695	0.1
79.05497	0.2
81.03394	0.1
81.07044	0.1
82.06586	0.2
84.08145	1.8
89.24036	0.1
91.05489	0.1
93.07049	0.2
95.08587	0.9
96.08115	0.4
97.02879	0.3
97.06503	0.5
97.08913	0.2
98.09677	0.4
98.97555	0.2
100.02505	0.2
105.07019	0.2
106.06527	0.2
110.09679	5.3
120.08123	0.2
122.09657	1.3
123.04421	0.6
123.08075	0.2
123.10430	1.6
124.11236	0.3
125.05999	1.7
125.09629	0.1
134.09679	0.8
135.08044	0.1
135.10434	0.4
136.11180	0.2
138.96400	0.2
148.11203	7.5
149.12001	0.9
150.09198	0.3
151.07516	0.4
156.97470	1.3
161.88725	0.1
162.09132	0.2
174.12852	0.1
174.98535	1.1
176.10733	0.2
176.14307	0.4
176.91365	0.1
187.06108	0.1
194.11775	0.9
194.15387	1.6
198.98718	0.4
204.13771	0.5
216.97777	0.1
216.99567	0.7
220.13231	0.2
222.14879	100.0
223.15245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.149
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
55.01862	0.8
55.05289	0.2
55.05497	0.8
67.05159	0.2
67.05506	2.9
68.05030	0.2
69.03410	0.9
69.05817	0.5
69.84129	0.4
69.84460	0.2
70.06593	4.9
71.04969	0.2
71.07373	2.2
72.08154	2.0
73.16956	0.2
79.05499	1.0
80.28246	0.2
81.07058	0.8
83.04948	0.2
84.08143	19.7
91.05481	0.5
93.07047	0.8
95.04996	0.8
95.08606	7.7
95.89306	0.2
96.08123	0.5
97.02891	1.2
97.06519	0.2
97.08923	2.6
98.97563	0.4
103.05441	0.2
105.07034	1.6
105.49520	0.2
107.08583	1.5
108.08112	0.2
109.06511	0.4
109.10146	0.2
110.09678	15.9
111.04435	0.3
111.49602	0.1
116.98577	0.3
117.07027	0.5
120.08088	0.3
121.06503	0.2
123.04428	6.4
123.08074	2.5
123.10389	0.2
124.11234	0.6
125.09649	1.2
130.06499	0.2
133.06491	1.4
134.09637	1.0
135.08067	1.5
136.11224	0.9
136.12141	0.2
147.10406	0.2
148.07549	0.2
148.11188	0.6
149.02347	0.2
150.09158	1.6
151.07541	4.6
153.09102	0.4
160.11247	0.2
162.09146	0.7
174.12787	1.2
175.13541	0.2
176.10760	0.3
176.14348	2.2
194.15408	1.3
204.13849	2.1
222.14886	100.0
223.15160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	33.1
78.95632	15.5
81.07118	11.3
82.01455	17.7
85.02903	17.0
91.58875	10.7
92.85596	8.7
100.02483	20.4
103.30448	9.0
104.10738	80.9
105.11080	76.9
118.03526	16.4
124.80866	8.6
129.03969	12.6
131.01939	9.8
131.03770	12.0
145.03459	44.7
168.05125	36.3
170.06641	25.0
173.01265	31.4
174.13373	8.1
176.73785	8.6
177.04234	10.4
178.37393	8.9
186.06111	16.8
191.02274	36.2
191.03882	16.8
200.04105	15.8
204.98746	100.0
206.17342	9.2
214.05782	10.7
219.01720	13.0
222.14760	10.1
222.96091	12.6
222.99799	75.1
223.02283	43.4
223.14494	19.5
242.04968	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	223.1078
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.90124	0.2
56.04146	0.2
62.90731	0.2
62.91048	0.3
66.56120	0.2
67.15787	0.2
67.49406	0.2
69.62054	0.6
70.06570	0.5
72.22358	0.2
79.05500	0.6
84.08137	0.3
91.05479	0.5
93.07044	0.7
95.04955	0.3
98.98514	0.3
103.05460	3.0
107.04951	1.1
120.08100	100.0
121.08477	0.6
131.04921	2.1
139.96887	0.4
149.02336	3.2
149.05956	1.3
154.08583	0.6
166.08633	35.9
177.10231	12.2
187.94377	0.3
205.09761	0.6
223.10760	2.5
223.14560	0.3
225.04266	0.7
227.02077	0.3
232.98203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05138	5.8
63.51592	5.0
70.57756	10.5
79.78979	5.8
86.09710	22.4
90.97110	5.0
94.93027	27.0
140.43462	6.2
164.95441	7.4
205.96198	11.8
223.97215	100.0
223.99185	23.4
224.02698	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	224.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68448	0.9
54.10999	0.8
55.76551	0.8
56.96564	12.3
57.03428	1.0
58.99404	0.9
58.99866	20.0
61.35577	0.8
62.06087	3.9
69.00764	0.9
69.03437	3.6
70.01664	3.0
77.00904	6.6
82.01443	22.7
85.02911	1.2
86.06068	1.6
86.09708	1.8
93.01929	0.8
95.01977	1.0
97.02873	1.3
100.02484	40.7
103.02474	1.0
104.10772	0.9
106.11232	1.1
109.01420	1.2
111.02928	5.7
115.03930	1.1
115.10040	1.1
118.03529	13.1
119.01952	1.3
123.04038	1.2
127.00674	0.8
127.02420	12.2
129.03987	27.7
139.02409	2.1
145.03459	100.0
146.03621	1.5
147.05023	27.0
150.04002	3.9
152.05566	15.2
155.00165	5.8
155.01790	2.1
157.01813	1.1
157.02202	1.2
157.03484	9.2
162.04062	2.4
163.04524	47.1
164.94330	1.2
165.06107	7.9
165.56630	0.9
168.05072	71.4
169.05289	1.2
170.05164	1.8
170.06627	36.7
173.01234	19.7
173.02933	5.6
175.02780	2.6
175.04518	4.0
180.05060	30.7
183.05060	1.1
186.06116	23.7
186.07768	1.5
188.07681	15.6
188.09196	0.8
191.02278	17.4
191.04022	34.3
192.05589	2.5
196.02840	1.4
196.04546	29.2
196.06364	1.4
198.06094	9.4
201.00729	3.9
201.02388	1.8
206.10292	1.9
209.03334	1.5
209.05101	5.6
214.05612	44.9
216.07166	1.9
219.01704	4.7
219.03531	13.9
224.01732	10.2
224.04088	7.3
224.12895	5.1
224.16409	1.2
232.06689	5.3
237.02798	2.4
242.05081	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	224.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27658	0.7
58.99864	21.7
60.08158	2.9
69.03423	4.2
69.51227	0.6
70.06599	2.1
70.46835	0.6
70.47157	0.8
77.00905	7.1
82.01445	18.6
84.08138	1.5
86.09689	0.8
93.01865	1.0
95.04967	0.8
99.40978	0.6
100.02480	48.0
101.00877	0.8
103.02435	1.0
109.01382	0.7
110.07149	1.6
111.02939	3.8
118.03521	16.7
119.01928	1.6
119.04922	1.0
123.04404	2.7
127.02400	9.8
129.02200	1.6
129.03976	26.2
139.02396	1.9
142.03441	1.0
145.03462	100.0
146.03612	1.1
147.03180	1.6
147.05031	27.8
150.03929	4.0
152.05550	10.6
155.01888	1.2
157.03453	8.1
158.97231	1.8
162.03989	1.3
163.04517	55.2
164.60028	0.6
165.06158	9.1
168.05064	65.2
169.05292	0.8
170.06625	36.6
173.02925	4.4
175.04492	4.0
177.05910	0.6
180.05051	30.0
186.06123	21.8
188.06113	1.0
188.07677	13.8
191.04013	30.0
196.04541	24.3
198.06113	9.1
201.02422	1.7
209.05067	6.4
214.05603	36.2
215.05852	1.1
216.07153	2.3
219.03551	12.3
224.04036	6.0
224.12762	7.7
232.06711	5.2
242.05093	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	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.9
56.96564	7.9
57.03426	6.0
58.02951	5.0
58.99867	16.3
61.02909	2.2
62.06083	3.8
69.03423	7.0
70.35473	3.8
71.01357	3.5
71.05015	1.7
73.02911	6.7
77.00895	7.2
80.96861	1.4
82.01447	14.0
82.29337	1.6
82.81268	1.6
84.04494	2.0
85.02894	4.5
86.02429	3.3
86.06056	2.7
87.04459	5.4
88.21342	1.5
89.02416	2.3
90.11095	1.5
90.36362	1.4
98.22808	1.8
98.97591	1.8
100.01820	2.4
100.02483	46.0
101.02382	11.8
106.31927	1.5
109.01393	2.4
111.02938	3.2
115.03938	17.5
118.03511	19.3
118.04887	1.8
118.09048	1.5
118.62543	1.8
119.01929	4.6
121.49183	1.6
127.02411	8.7
129.01843	26.3
129.03964	23.9
133.04945	4.6
143.01866	2.3
143.03397	8.5
145.03456	100.0
146.04472	3.7
147.02998	1.9
147.05026	27.6
150.02724	1.8
150.04016	1.6
152.05580	11.3
155.01877	3.3
157.01382	16.5
157.03409	8.7
161.04474	18.7
162.03981	1.7
163.04518	55.5
165.06145	8.9
168.03622	3.4
168.05061	62.1
170.06635	32.5
173.01376	3.2
173.02959	6.0
175.02588	1.8
175.04482	5.1
176.98253	2.2
177.00941	1.6
178.12221	3.4
180.05086	28.4
183.04993	3.0
186.06126	29.3
188.07713	15.2
189.03960	19.2
191.02249	7.5
191.04001	31.8
196.04584	21.3
196.13347	3.9
198.06149	9.8
206.11823	2.6
209.05052	7.5
214.03578	2.3
214.05627	35.9
216.07124	2.4
219.01808	3.9
219.03607	12.6
224.01689	5.1
224.04054	6.9
224.07483	2.0
224.10925	2.7
224.12845	27.5
232.06714	5.8
242.05087	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	224.1646
Annotation	Tigloidine
Peak:m/z	Relative Intensity
55.63502	0.2
55.69244	0.2
61.51661	0.1
77.91312	0.2
84.08140	0.3
94.11409	0.2
95.04951	0.3
96.08125	0.3
107.34857	0.1
108.08109	0.3
108.33772	0.2
109.08893	0.5
110.09666	0.2
112.72842	0.2
122.09663	4.3
124.11179	0.2
136.11200	1.6
137.11998	4.2
150.12779	22.1
151.13115	0.3
152.10696	0.2
164.10735	0.6
167.08917	0.2
178.16000	0.2
196.13362	0.5
206.15421	1.1
224.16447	100.0
225.16815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1646
Annotation	Tigloidine
Peak:m/z	Relative Intensity
55.05502	0.3
59.04990	0.1
62.57232	0.1
65.03917	0.2
67.05505	1.1
69.03426	1.3
69.07050	0.2
69.51378	0.1
70.06229	0.2
70.06586	2.4
71.04986	0.7
71.07368	0.2
72.08154	4.9
75.04470	0.1
75.57126	0.1
79.05495	2.3
81.07056	1.4
83.04955	0.3
84.08141	11.1
86.11834	0.1
91.05470	1.1
93.07021	0.3
95.04953	0.4
96.08092	0.2
97.02889	5.8
97.06519	0.5
97.08899	0.5
97.10186	0.2
105.07034	0.6
106.06538	0.2
107.04932	0.2
107.08593	5.9
108.08067	0.1
109.06480	0.6
109.10138	1.0
110.06023	0.2
110.09679	2.4
111.04430	0.3
115.05453	0.4
117.07001	1.8
119.04934	0.1
119.06043	0.2
122.09664	0.2
125.09629	2.9
135.08052	5.4
136.11215	0.3
137.12025	0.1
150.02658	0.2
150.12796	0.9
153.09099	2.7
155.07095	0.1
166.12276	0.1
172.36455	0.1
178.05081	0.3
178.15868	0.4
180.17487	0.3
182.11746	0.3
191.93416	0.1
196.16982	2.5
206.15427	0.5
207.06479	0.2
207.12161	0.1
222.14946	0.2
224.16440	100.0
225.16823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.9563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35670	3.1
53.49691	4.0
69.24567	19.7
94.93021	100.0
98.23445	7.4
104.93127	3.8
114.71235	3.1
119.01929	11.3
120.94508	4.1
136.94022	25.9
139.12349	3.6
142.03461	3.7
156.05115	7.2
161.02919	4.6
164.93468	3.9
174.06175	6.0
179.03978	4.6
184.04523	4.1
191.79225	4.2
192.04066	4.0
224.95625	64.1
224.98651	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95420	1.5
56.69994	1.2
56.96556	2.6
70.11301	1.3
71.34715	1.4
71.44372	1.7
82.99873	4.2
84.96029	1.7
89.57869	1.5
96.93534	1.3
98.97594	4.6
101.00880	56.4
112.32834	1.5
116.98631	2.6
119.01921	100.0
120.01997	2.3
124.02465	5.8
137.02948	17.3
140.98856	1.8
142.03503	54.8
143.03714	1.8
147.58595	1.4
158.99889	9.0
160.04590	13.2
161.02962	28.0
165.05130	3.0
166.89301	1.4
169.17171	1.2
177.00957	51.3
178.01079	6.2
179.04010	34.2
179.27649	1.5
182.99773	1.7
184.04590	5.0
190.49518	6.0
199.50063	8.9
200.00166	2.8
200.47939	1.4
201.00932	6.3
202.00375	1.9
202.05624	5.0
206.23769	1.4
211.00877	1.7
217.04115	8.4
219.02010	49.3
220.02155	10.4
221.01567	1.4
225.00980	2.6
238.95502	2.0
243.01965	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	225.0758
Annotation	Calaminthone
Peak:m/z	Relative Intensity
51.02360	0.5
53.03946	1.3
55.01888	0.4
55.05493	0.4
59.93837	0.3
62.29860	0.3
65.03938	0.7
66.04745	0.4
67.05510	4.1
67.42419	0.3
68.47640	0.3
69.07055	0.4
69.66030	0.4
71.01368	1.0
75.04482	0.7
77.03939	2.4
79.05486	3.7
81.03430	0.4
81.07058	1.6
83.87296	0.4
91.05486	4.7
93.07044	0.8
94.04165	0.9
95.01348	0.6
95.04971	57.2
95.08608	0.7
97.02898	0.6
103.03941	1.4
105.03393	1.9
105.04509	2.5
105.06977	0.4
107.04932	0.7
109.06509	2.6
119.04948	4.4
121.06519	0.6
121.10131	0.4
122.03645	1.3
123.00794	2.2
123.01572	0.4
123.04435	17.1
133.02849	1.8
135.04431	0.5
137.05998	3.8
137.09578	0.6
147.04416	4.2
151.03908	71.4
152.04294	0.5
155.03488	0.7
161.13313	0.6
163.11267	0.5
165.05481	100.0
166.05856	0.8
175.03963	3.1
183.06580	2.1
193.04956	3.7
198.82076	0.4
207.06514	1.1
207.13774	0.6
225.07549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
55.05494	2.2
55.87062	1.2
67.05501	5.0
69.03419	2.9
69.07059	2.3
69.48643	1.0
69.78642	2.0
69.78990	2.8
71.04990	9.9
71.17354	0.9
79.05486	4.5
79.99581	1.0
81.07054	6.8
83.04969	2.4
88.18976	1.0
90.07443	1.2
91.05483	6.5
93.07049	9.9
95.04993	1.8
95.08598	7.7
97.06502	3.2
99.04436	1.9
105.07022	16.3
107.04944	1.5
107.08580	8.7
109.06518	3.0
109.10170	10.7
111.08054	1.9
118.11816	1.0
119.01948	1.1
119.04909	3.8
119.08572	13.8
121.06454	1.3
121.10148	27.6
123.04421	1.6
123.08067	12.1
123.11678	2.6
131.08559	4.6
132.59499	1.3
133.06476	3.2
133.10103	3.9
135.08110	1.2
135.11638	2.6
137.09621	22.4
142.03564	1.5
143.08513	3.3
145.10143	4.4
147.08064	5.5
147.11674	14.1
149.09616	100.0
151.07558	5.6
156.09325	5.3
158.97382	1.2
159.08061	2.0
161.09593	2.7
161.13243	11.6
165.12732	6.6
171.11705	8.7
174.10432	5.6
175.03864	2.0
179.14229	2.8
189.12749	51.3
207.06465	2.4
207.13791	39.4
225.12630	2.1
225.14824	5.2
244.02217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.2
55.87062	1.2
67.05501	5.0
69.03419	2.9
69.07059	2.3
69.48643	1.0
69.78642	2.0
69.78990	2.8
71.04990	9.9
71.17354	0.9
79.05486	4.5
79.99581	1.0
81.07054	6.8
83.04969	2.4
88.18976	1.0
90.07443	1.2
91.05483	6.5
93.07049	9.9
95.04993	1.8
95.08598	7.7
97.06502	3.2
99.04436	1.9
105.07022	16.3
107.04944	1.5
107.08580	8.7
109.06518	3.0
109.10170	10.7
111.08054	1.9
118.11816	1.0
119.01948	1.1
119.04909	3.8
119.08572	13.8
121.06454	1.3
121.10148	27.6
123.04421	1.6
123.08067	12.1
123.11678	2.6
131.08559	4.6
132.59499	1.3
133.06476	3.2
133.10103	3.9
135.08110	1.2
135.11638	2.6
137.09621	22.4
142.03564	1.5
143.08513	3.3
145.10143	4.4
147.08064	5.5
147.11674	14.1
149.09616	100.0
151.07558	5.6
156.09325	5.3
158.97382	1.2
159.08061	2.0
161.09593	2.7
161.13243	11.6
165.12732	6.6
171.11705	8.7
174.10432	5.6
175.03864	2.0
179.14229	2.8
189.12749	51.3
207.06465	2.4
207.13791	39.4
225.12630	2.1
225.14824	5.2
244.02217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01870	4.2
55.05512	41.3
57.03433	18.4
57.07084	4.3
59.05013	6.6
66.28283	2.9
67.05505	20.8
69.03423	8.9
69.07063	20.4
69.43233	4.4
69.43632	8.1
71.04990	19.9
79.05497	16.4
80.85272	3.3
81.03419	62.1
81.06626	5.9
81.07062	80.2
83.04987	30.9
83.08614	5.2
85.02911	34.5
85.06543	5.7
85.70947	3.2
88.36705	3.5
91.05486	27.6
93.07047	22.8
95.04977	41.7
95.08614	44.3
97.06531	16.8
97.10181	5.5
99.04464	100.0
99.08095	18.4
105.07020	28.2
107.04939	8.3
107.08601	46.2
109.06538	29.6
109.10156	32.2
111.08083	5.4
113.06069	3.7
115.03919	3.7
115.07582	4.0
119.04961	14.0
119.08577	37.2
121.06516	4.0
121.10155	41.6
123.08070	91.0
123.11692	18.5
125.06002	9.1
125.09636	16.5
127.07578	11.8
127.11224	10.0
131.08585	5.9
133.10153	11.8
135.08072	27.0
135.11708	6.0
137.06009	8.2
137.09602	20.9
137.13229	14.9
139.07594	4.1
141.09126	13.2
143.08641	4.6
145.10141	6.0
147.04414	9.9
147.08086	7.2
147.11676	30.4
149.09621	36.2
151.07529	14.1
151.11282	14.9
153.09143	10.3
153.12663	3.9
159.11668	5.3
161.13312	19.5
163.11212	19.1
165.09181	15.2
165.12769	21.2
169.08641	5.2
171.11713	7.3
175.03893	19.3
177.12773	11.1
179.14365	6.6
181.12170	4.8
183.13837	4.8
189.12721	30.3
192.04211	5.0
193.04967	5.6
195.13802	10.7
207.06470	28.6
207.10229	3.0
207.13800	47.4
208.06157	3.4
225.07382	3.9
225.12697	6.2
225.14828	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.86082	0.7
55.05508	1.1
57.03461	0.8
57.07073	1.6
65.03939	0.7
65.41210	0.8
67.05503	4.4
68.73894	0.7
69.03416	1.4
69.07082	1.0
69.11550	1.7
69.11957	3.3
74.99718	0.7
79.05492	3.3
81.07061	17.6
83.04972	1.5
85.02906	100.0
85.06535	1.0
91.05476	9.8
93.07042	3.0
95.04944	1.7
95.08604	5.5
98.22680	1.4
105.07015	3.7
107.08587	4.0
109.10160	11.2
111.04426	1.0
111.08089	0.9
118.04134	0.9
119.04929	10.7
119.08582	4.6
121.06524	1.0
121.10147	8.0
122.88892	0.8
123.11706	73.0
125.05989	5.3
125.09657	1.2
128.68913	0.8
131.08607	1.3
135.73817	0.7
137.09619	0.8
139.11206	1.0
145.10124	1.2
147.04413	8.5
147.08090	2.4
147.11681	2.5
149.02344	1.1
149.09618	8.4
151.07542	1.8
153.33044	0.9
157.03877	1.4
161.09581	1.1
161.13225	1.2
165.09047	0.8
165.12793	1.0
167.10732	0.9
171.11577	0.7
175.03920	13.6
176.63127	0.8
179.07050	1.2
183.13898	1.0
189.12723	4.5
192.04170	4.5
207.06512	21.2
207.13806	20.4
225.07571	1.3
225.14873	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01852	1.1
55.05512	12.8
56.55669	0.9
57.03422	1.2
57.07072	1.1
65.52959	0.8
67.05514	7.1
68.27811	0.8
68.48280	0.8
69.03428	40.2
69.07057	3.4
70.04626	2.4
71.04975	3.6
79.05488	6.9
81.06639	0.8
81.07060	11.5
83.04981	10.8
83.08622	2.0
85.02889	1.1
85.06535	3.4
91.05482	6.9
92.35753	0.8
93.07040	9.8
95.04964	25.8
95.08604	16.4
97.02901	1.8
97.06516	5.2
97.10174	1.5
99.04453	4.1
99.08073	4.4
101.06007	1.4
103.05444	0.9
105.07022	11.4
107.04943	1.2
107.08589	28.8
109.06526	11.3
109.10150	9.4
111.04430	1.6
111.08086	8.6
117.06969	1.4
119.01915	1.0
119.04935	2.0
119.06116	0.8
119.08573	15.1
121.06512	4.2
121.10149	13.7
123.08073	14.7
123.11684	1.9
125.05969	2.2
125.09631	100.0
131.08577	3.5
133.10127	4.3
135.08047	24.2
135.11667	4.8
137.09622	9.1
137.13243	1.7
138.12749	2.6
139.07535	3.2
141.09090	3.5
145.10127	2.1
147.04422	1.4
147.08040	3.7
147.11674	9.0
149.09607	19.5
149.13252	2.5
151.07495	3.2
151.11230	1.3
153.09056	2.6
159.11676	2.2
161.09581	2.5
161.13266	7.2
163.11160	4.5
165.09163	4.8
165.12770	5.2
167.10675	7.4
169.08632	1.6
171.11665	2.6
175.03995	1.2
177.12730	8.0
179.10622	1.4
179.14349	2.5
181.16971	1.2
189.12723	6.5
192.04218	0.9
195.13815	17.9
207.06462	3.1
207.13803	23.3
225.12666	2.1
225.14839	36.1
225.16765	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
53.03943	3.3
55.01871	4.8
55.05511	25.6
57.03437	5.5
57.07083	1.0
59.04990	1.3
67.05506	21.6
69.03431	6.3
69.07071	6.4
70.15723	1.5
70.16035	0.8
71.04999	2.1
75.42961	0.8
79.05494	23.8
81.03417	100.0
81.06565	1.2
81.07054	21.9
83.04977	26.0
83.08620	31.4
85.06540	2.6
91.04942	1.5
91.05483	26.2
93.07043	12.4
95.04346	1.9
95.04963	32.5
95.08598	9.9
97.02893	3.1
97.06528	2.7
97.10167	4.8
99.04467	1.2
99.08095	1.2
103.27523	0.8
105.07029	18.5
107.04943	7.7
107.08590	4.7
109.06512	3.3
109.10149	1.9
111.04454	1.3
111.08085	13.0
115.05402	1.4
115.06160	0.9
116.98615	0.9
117.07024	1.2
119.08594	15.0
121.06538	2.3
121.10170	6.3
123.08051	2.7
125.09592	1.7
129.06996	10.9
131.08585	10.1
133.06502	2.3
133.10143	9.5
137.09605	1.6
142.07771	2.8
145.10149	1.7
147.08055	3.6
147.11685	11.6
149.09593	7.0
157.10133	14.8
165.12767	2.2
175.11195	18.8
178.99756	1.0
193.12241	60.2
225.12862	1.6
225.14882	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	225.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86082	0.7
55.05508	1.1
57.03461	0.8
57.07073	1.6
65.03939	0.7
65.41210	0.8
67.05503	4.4
68.73894	0.7
69.03416	1.4
69.07082	1.0
69.11550	1.7
69.11957	3.3
74.99718	0.7
79.05492	3.3
81.07061	17.6
83.04972	1.5
85.02906	100.0
85.06535	1.0
91.05476	9.8
93.07042	3.0
95.04944	1.7
95.08604	5.5
98.22680	1.4
105.07015	3.7
107.08587	4.0
109.10160	11.2
111.04426	1.0
111.08089	0.9
118.04134	0.9
119.04929	10.7
119.08582	4.6
121.06524	1.0
121.10147	8.0
122.88892	0.8
123.11706	73.0
125.05989	5.3
125.09657	1.2
128.68913	0.8
131.08607	1.3
135.73817	0.7
137.09619	0.8
139.11206	1.0
145.10124	1.2
147.04413	8.5
147.08090	2.4
147.11681	2.5
149.02344	1.1
149.09618	8.4
151.07542	1.8
153.33044	0.9
157.03877	1.4
161.09581	1.1
161.13225	1.2
165.09047	0.8
165.12793	1.0
167.10732	0.9
171.11577	0.7
175.03920	13.6
176.63127	0.8
179.07050	1.2
183.13898	1.0
189.12723	4.5
192.04170	4.5
207.06512	21.2
207.13806	20.4
225.07571	1.3
225.14873	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	225.9702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	11.3
80.04933	7.5
84.08138	9.7
91.05464	15.0
101.03020	7.7
108.59641	7.4
110.07215	10.6
111.08080	37.9
152.01122	36.0
180.10185	28.9
208.09720	10.3
225.97012	100.0
226.10771	8.9
226.14267	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1438
Annotation	N-Methylmescaline
Peak:m/z	Relative Intensity
55.01864	1.5
55.05512	0.7
56.05027	1.3
58.06593	2.6
67.05502	5.2
68.05015	0.6
69.03416	0.4
69.07050	0.5
69.80828	0.8
70.06593	5.0
72.08152	1.1
76.07653	1.0
79.05486	4.0
80.54137	0.4
81.07039	1.8
82.06569	0.6
83.07346	0.8
84.08130	2.5
88.07632	6.8
91.05460	1.8
93.07028	1.3
94.06554	1.2
95.04956	2.2
95.08599	12.6
96.08155	2.1
97.06520	0.8
103.05488	0.8
105.07028	5.2
107.04925	0.8
107.08580	1.3
108.08147	0.5
109.06497	0.5
110.06029	0.4
113.55894	0.4
114.09162	5.1
118.10507	0.4
120.08074	0.4
121.36174	0.4
122.05968	0.5
122.09669	1.3
123.04433	8.2
123.08066	3.9
125.06064	0.5
132.08058	0.4
133.06494	3.8
134.09633	5.1
135.08047	1.0
136.07503	0.4
136.11188	1.4
137.05984	0.5
148.07527	1.1
149.08350	1.1
150.09140	11.7
151.07533	9.5
152.10681	1.9
153.09105	0.5
162.09123	3.3
162.12727	0.7
164.10735	4.1
180.10196	2.4
180.13818	0.8
182.11763	7.4
190.12274	5.8
196.13255	0.7
198.14923	0.9
208.13333	12.2
226.14369	100.0
227.14656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.144
Annotation	Colterol
Peak:m/z	Relative Intensity
51.09366	0.4
54.78002	0.4
55.01865	0.5
55.05512	1.5
56.96567	0.9
58.99865	1.0
67.05495	0.5
69.03431	18.9
70.06596	12.5
70.51821	0.8
77.00916	0.5
82.01457	3.2
82.06597	0.6
83.08601	0.6
84.08147	5.5
85.08426	0.5
91.05473	1.1
93.07038	1.3
95.08607	0.9
96.08124	0.7
97.02926	0.6
98.06054	2.8
98.97580	1.6
100.02491	7.0
102.02235	0.5
110.06055	0.5
111.02932	1.0
111.08082	93.8
116.98653	0.8
118.03498	2.3
128.07108	1.5
128.10698	4.6
129.04001	3.8
131.05554	1.3
139.07533	8.1
141.04034	1.0
147.03198	1.0
147.05005	1.4
152.05576	0.5
157.03459	5.2
157.08603	4.2
159.05028	1.1
165.04256	0.5
167.06914	0.4
170.03433	0.5
170.04887	0.8
170.06696	0.5
175.04512	8.9
177.06104	0.4
180.05090	2.2
180.13834	30.9
182.06644	2.7
193.05626	1.0
198.06111	10.0
199.06387	0.4
200.07697	1.6
208.13330	65.0
209.13577	0.9
216.07167	2.7
217.05606	0.5
226.05684	2.6
226.14374	100.0
227.14694	1.2
244.06697	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.86996	0.4
53.03938	0.7
55.01859	1.1
55.05499	0.7
57.07079	0.8
65.03932	0.4
67.05511	0.4
69.38767	2.1
70.06584	0.8
77.03917	0.7
78.04704	2.7
79.05476	2.0
81.04615	0.4
81.07058	0.7
88.07644	0.8
89.03921	1.5
91.05486	6.6
93.07054	3.8
95.04973	3.0
100.11257	2.4
102.09205	0.7
103.05470	6.1
103.06504	0.4
105.03391	0.4
105.04516	1.2
106.04160	2.5
107.04983	2.5
109.06525	0.6
117.03367	1.4
119.04951	1.0
120.05698	0.7
121.06506	13.3
122.03650	1.4
123.04422	6.8
124.05216	2.3
131.04947	6.4
131.05920	0.8
131.08604	0.4
133.02852	1.2
134.03618	2.0
135.04398	1.3
137.05975	8.8
140.04688	2.6
145.02824	0.9
147.04387	0.9
148.05206	1.9
149.05986	14.6
151.03886	1.6
152.04698	2.3
155.07034	1.2
159.04393	3.4
162.03134	0.7
163.03851	0.8
165.05493	0.8
167.07039	100.0
168.07364	0.8
171.08076	0.4
176.04643	1.0
177.05470	26.6
178.06068	0.5
180.07794	0.6
181.08606	1.0
191.07042	1.5
194.05817	0.7
195.06506	0.5
209.08076	9.0
227.07036	0.5
227.09099	1.7
227.14461	0.9
227.17636	1.1
228.23235	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	227.0914
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
51.02368	0.8
53.03950	1.3
54.44745	0.6
55.01861	1.5
55.05500	0.8
59.05001	0.8
67.05504	3.1
68.99795	1.0
69.03426	1.6
69.07066	1.3
71.01355	2.3
71.04987	0.8
77.03934	2.9
79.05492	14.9
81.03431	2.1
81.07043	3.7
90.15462	0.7
91.05477	7.1
93.07043	5.5
95.04973	25.2
95.08618	1.4
97.02903	2.1
99.04470	1.2
100.11254	1.1
103.04012	0.8
103.05482	5.2
105.03424	3.3
105.04526	2.4
105.07013	1.1
107.04958	100.0
107.08632	1.6
109.02880	11.6
109.06521	3.0
109.10157	0.9
121.06520	6.5
123.04443	7.6
123.11686	0.8
125.02360	4.9
125.05993	1.4
131.04926	2.0
132.08089	3.5
133.02869	5.4
133.10097	1.0
135.04448	2.3
137.06007	2.7
139.03935	4.6
141.05579	0.8
146.32402	0.9
149.05992	7.6
151.03917	16.7
153.05513	1.4
155.07103	0.9
157.06476	1.1
157.07658	0.8
159.04402	1.6
159.09204	2.8
165.05487	52.5
167.07060	12.8
167.10548	1.1
175.74985	0.7
177.05467	11.2
177.45891	0.8
185.07133	1.3
186.37173	0.7
191.14441	1.4
195.06535	3.5
199.11205	0.8
200.07236	1.2
209.08052	2.7
209.09782	1.0
209.15363	1.0
227.08354	2.0
227.10692	1.9
227.16266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03923	0.5
55.01871	2.2
55.05512	4.0
65.03925	0.9
67.05503	4.1
69.07061	2.3
69.24206	3.2
71.04997	0.9
72.91590	0.5
73.02918	1.0
77.03922	0.8
78.04698	2.0
79.05505	7.5
81.03414	1.4
81.07052	5.4
83.05006	0.6
83.08624	2.8
89.03933	0.8
91.04942	0.9
91.05476	11.9
93.03400	0.8
93.07047	10.4
95.04977	3.6
95.08607	10.1
97.02875	1.3
97.06503	0.8
99.04421	0.8
100.11251	4.1
103.05464	5.9
105.04518	0.6
105.07043	1.9
106.04176	2.7
107.04958	5.8
107.08593	6.7
109.06499	1.7
111.04484	1.1
113.96376	1.1
117.03394	1.1
117.07011	3.4
119.04977	1.5
119.08569	2.3
120.05693	0.8
121.06509	14.2
121.10155	4.0
122.03631	1.2
123.04425	7.4
124.05182	2.1
125.05989	1.1
129.06993	0.6
131.04965	4.8
133.02823	0.7
134.03603	1.8
135.04387	1.4
135.08018	0.6
135.11682	11.7
136.08846	4.2
137.05992	8.1
138.15582	0.5
139.07542	1.0
140.04671	1.7
143.08507	0.7
145.02780	0.7
145.10115	6.8
147.04387	0.8
148.05193	2.0
149.01888	0.6
149.04848	1.1
149.05975	14.9
149.32965	0.5
151.03883	1.1
152.04665	2.2
153.06914	0.6
155.07002	1.6
155.08337	0.5
159.04384	2.8
163.03888	0.9
163.11177	16.2
165.05511	1.0
165.07016	0.7
166.06358	0.9
166.07771	0.8
167.07039	100.0
168.07469	0.6
169.10100	0.6
176.04601	0.8
177.05472	29.5
180.07848	0.8
181.08661	1.1
181.10248	0.9
181.12175	4.8
183.04900	0.5
191.07095	1.1
194.05769	0.7
209.08107	9.3
209.09943	1.2
209.13237	1.4
209.16374	1.0
212.04849	0.6
212.08311	0.8
227.09201	0.9
227.10706	4.2
227.12772	19.3
227.14398	6.3
227.17577	1.5
240.78690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
52.28612	0.6
52.39201	0.6
52.95424	0.6
55.01876	6.4
55.05486	0.7
65.03939	5.1
67.05498	2.1
69.03429	0.8
69.39649	2.8
71.04977	0.8
73.02920	37.6
77.03926	1.2
79.05506	1.3
82.04205	1.4
85.02901	3.1
91.05476	2.5
93.03407	2.0
93.07040	1.4
94.37270	0.8
95.04973	7.6
97.06516	2.5
99.04456	1.3
99.08079	1.9
100.11245	1.3
103.05463	0.9
107.04941	1.4
108.02091	1.3
109.06507	0.8
109.10155	0.6
110.03653	3.1
111.04428	1.2
115.07572	1.5
119.08540	0.7
121.06486	2.9
123.04429	8.0
124.39594	0.7
125.02357	1.7
125.05994	2.1
133.10106	1.5
138.03113	1.8
140.04686	47.5
153.05446	7.0
153.09106	2.0
155.07034	64.6
167.07050	1.7
171.06602	3.4
173.08107	2.2
177.05502	1.9
177.48238	0.7
179.07019	3.0
181.04956	100.0
191.14275	0.7
209.06131	1.6
209.08092	21.4
209.15274	1.1
227.09123	20.0
227.16403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Genipin
Peak:m/z	Relative Intensity
53.03947	1.4
55.01451	0.5
55.01873	1.4
55.05503	0.6
56.49295	0.5
64.96538	0.4
65.03954	0.6
67.05490	0.5
68.99793	0.6
70.53169	1.0
71.04977	0.6
77.03946	2.7
77.04308	0.5
79.05495	2.9
81.03431	0.4
81.07048	1.1
86.09726	0.5
91.05483	16.0
93.07045	21.7
94.13837	0.5
95.04971	11.4
95.08601	0.9
97.06535	0.6
99.04469	0.8
99.08069	0.8
100.11271	1.8
103.05471	17.1
105.04527	2.5
105.07018	0.5
106.04168	1.0
107.04947	2.7
107.08589	1.0
109.06496	1.0
119.04919	1.6
119.08555	0.5
120.05737	0.9
121.06506	81.8
123.04443	3.3
125.02354	0.7
128.22385	0.6
131.04924	2.2
131.08569	0.6
133.10144	1.5
134.03580	0.7
137.05946	0.6
137.09787	0.5
138.06770	0.6
140.04684	16.7
147.04413	2.2
148.05128	0.9
149.05980	23.8
151.03879	1.3
153.09119	1.4
155.07021	11.7
159.05545	7.6
166.06270	4.0
167.07007	1.6
171.10222	0.6
173.08078	0.6
177.05473	100.0
178.05823	1.0
181.08595	30.3
209.08083	18.6
209.10065	1.1
209.15337	0.9
227.09145	4.1
227.12625	0.6
227.16190	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75394	0.7
53.84592	0.7
55.01876	0.9
55.05502	1.4
57.07072	1.0
64.03928	0.6
67.05497	1.0
69.07069	1.4
70.06583	1.9
71.04958	1.1
71.08655	0.6
71.14806	0.6
78.04701	2.9
79.05481	2.3
81.07045	2.5
83.08586	1.1
89.03899	1.2
91.05482	6.3
93.07067	3.2
95.04964	2.4
95.08602	1.4
97.06495	0.8
97.10104	1.2
98.97646	0.8
100.11269	5.0
102.09174	0.9
103.05466	5.5
105.03385	0.7
106.04166	2.5
107.04944	2.6
107.08578	0.8
109.06459	0.8
113.96413	1.1
119.04935	1.3
121.06503	11.6
122.03643	1.3
123.04420	6.7
124.05209	2.7
131.04924	5.3
131.97412	0.8
134.03662	2.1
135.04376	1.0
137.05983	9.0
140.04695	2.6
148.05180	1.7
149.05981	13.4
151.03891	1.1
152.04697	1.9
155.07018	1.7
159.04419	3.0
163.03963	0.9
163.07518	0.8
165.05505	1.2
167.07036	100.0
176.04640	1.0
177.03929	1.4
177.05469	26.0
181.08598	1.4
181.10077	1.0
191.07022	1.0
209.08017	9.2
209.09686	1.1
227.08727	1.0
227.10886	3.5
227.14392	1.0
227.16286	1.2
227.18019	1.1
227.20024	1.3
228.23245	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	227.0915
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
55.01889	1.3
55.05511	2.4
60.14766	0.8
67.05466	0.8
69.06738	0.9
69.07095	1.0
70.06977	2.6
70.07325	1.0
72.93789	0.9
78.04720	2.2
79.05508	2.2
81.07060	1.4
83.04978	1.1
89.03929	1.5
90.25880	0.8
91.05482	22.7
93.07056	5.9
95.04971	2.8
98.22700	0.9
100.11263	6.4
103.05462	6.9
105.04547	1.3
105.07038	2.7
106.04187	2.5
107.04950	4.3
109.06472	1.0
117.07056	1.1
118.23524	0.7
121.06514	12.4
121.10187	2.0
123.04430	7.0
124.05240	2.7
131.04933	6.8
134.03658	2.6
136.08833	19.7
137.05966	7.5
140.04698	3.7
143.04872	1.0
147.04390	1.0
148.05199	2.1
149.05986	13.7
149.09673	1.5
151.03897	1.4
152.04680	3.1
155.07043	1.6
159.04413	4.0
165.05545	0.9
167.07043	100.0
176.04771	1.0
177.05489	25.3
177.07001	1.8
189.11150	0.8
194.05812	1.6
209.08096	7.1
209.13368	1.4
227.11006	7.0
227.14334	37.3
227.17593	2.9
228.23244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1064
Annotation	4'-Methylpinosylvin
Peak:m/z	Relative Intensity
52.25856	0.5
55.01872	0.7
65.03926	0.6
66.98883	0.5
67.05496	2.3
68.99783	0.6
70.63376	1.1
73.66251	0.4
77.03943	0.8
79.05487	2.2
83.01348	3.0
85.02900	1.2
91.05481	26.1
93.07040	2.0
95.04972	4.7
100.11258	0.9
103.05467	11.2
105.03410	3.2
105.04517	0.8
105.07014	2.8
107.04980	3.4
115.05437	2.6
117.06995	2.8
118.59100	0.5
121.06506	49.3
123.04430	15.2
129.07004	1.8
131.04903	2.4
135.04419	7.0
141.06947	3.2
142.39807	0.5
143.08566	1.3
149.05980	70.5
153.06992	1.8
155.08496	0.9
157.06569	0.5
157.10103	0.7
165.06989	8.3
166.07784	13.7
167.07007	1.3
169.06558	0.6
171.11650	1.0
179.08705	0.5
181.10143	6.0
189.07004	1.3
190.07764	2.4
191.08565	3.2
194.07274	9.4
197.05911	1.1
199.11171	1.5
209.09566	4.2
211.07578	2.3
212.08318	6.9
227.10661	100.0
228.10985	1.0
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	Stagonolide
Peak:m/z	Relative Intensity
51.93122	0.9
53.03939	2.0
55.01878	5.4
55.05508	11.2
57.03431	2.5
64.70245	0.9
67.05500	14.7
69.03415	1.7
69.07067	7.3
70.24744	1.7
71.04978	2.7
73.02917	1.5
79.05040	1.6
79.05492	25.2
81.03407	3.8
81.06628	1.5
81.07055	20.1
83.04966	3.2
83.08620	9.4
91.05483	8.9
93.06453	1.9
93.07043	35.8
95.04972	6.8
95.08607	39.6
97.02875	4.1
97.06532	2.8
99.04457	5.6
100.11232	7.5
105.07041	6.5
107.04958	9.9
107.08595	23.4
107.09251	0.9
109.06495	1.6
109.10151	3.4
111.04439	1.6
111.08100	2.1
113.26742	0.9
113.96407	1.4
117.07012	6.4
119.08575	8.9
121.06506	9.9
121.10142	10.0
123.04442	1.2
125.05965	3.5
130.07727	1.6
131.04938	1.4
133.10107	2.0
135.08043	3.0
135.11688	46.0
137.05959	1.8
139.07527	2.5
145.10118	24.2
149.05934	3.4
153.12759	1.3
163.11180	68.5
167.07045	20.9
171.88908	1.0
177.05478	5.5
181.12234	14.6
195.43367	1.0
209.08098	1.1
209.11591	1.2
209.16487	1.0
227.12762	100.0
227.17535	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05512	2.6
57.07061	2.6
67.05502	17.4
69.07079	2.3
69.82811	3.3
69.83173	3.7
71.04998	100.0
71.08673	2.1
72.93778	1.6
79.05505	7.5
81.07060	28.9
91.05466	5.6
93.07058	13.8
95.08611	13.8
97.06539	4.5
97.88175	1.5
99.08136	2.6
99.57005	1.6
100.11257	9.5
107.08610	8.8
111.08115	1.8
113.96407	1.7
117.07041	3.1
121.10213	2.9
131.08589	3.5
131.97392	2.6
133.10118	4.3
135.08009	1.9
135.11702	10.7
149.13306	5.2
159.11731	5.5
177.12724	4.1
186.22173	9.2
195.13818	2.7
227.12767	1.9
227.17767	3.4
228.23233	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03938	3.8
54.15685	1.4
55.01861	3.2
55.05516	9.0
57.03415	5.7
57.07066	4.3
59.04979	5.2
59.33392	1.6
61.30468	1.8
65.03922	2.2
67.05503	15.5
69.03410	4.7
69.07064	11.7
71.04993	25.3
71.44055	2.1
71.44485	1.4
73.02891	2.6
76.78984	1.6
79.05499	17.3
81.03396	4.1
81.07053	16.4
83.04955	5.9
83.08589	4.8
85.06061	2.6
85.06540	42.7
86.09685	2.8
91.05480	16.6
93.07040	42.0
94.70728	1.8
95.04967	100.0
95.08610	17.2
97.06526	23.6
97.10162	3.8
99.04449	13.0
99.07455	2.4
99.08094	43.7
100.11236	9.0
101.06005	1.6
103.05417	4.2
105.04498	2.0
105.07030	22.0
107.04931	5.6
107.07932	2.4
107.08595	33.8
109.06516	23.5
109.10162	11.0
111.04416	5.8
111.08058	6.8
113.06004	2.3
113.09616	4.5
115.07565	11.4
117.07017	2.4
119.08577	15.9
121.06496	17.2
121.10143	35.0
121.59853	1.6
123.04380	3.7
123.08023	5.1
123.11730	7.6
125.05975	3.0
125.09622	8.3
127.07559	20.0
127.11150	1.5
129.06975	4.0
131.07666	2.7
131.08577	32.2
133.10121	42.0
135.08052	7.8
135.11652	6.5
137.05916	2.0
137.09641	9.0
137.10533	1.5
139.11206	11.2
140.04657	4.5
143.10693	4.2
145.10117	12.4
147.08069	2.2
147.11679	11.9
149.06006	8.3
149.09621	28.4
149.13274	11.0
151.11154	7.4
153.05440	2.5
153.09100	31.6
155.07022	6.2
158.10846	2.3
163.11197	13.1
163.14847	8.8
165.09091	5.4
165.12730	2.3
167.07007	9.9
167.10634	9.7
171.10173	8.6
173.09610	2.1
173.13266	18.2
177.05502	14.4
179.50542	1.9
181.04884	6.6
181.08542	6.0
191.10655	20.6
191.14294	15.8
195.10747	1.5
209.08023	6.6
209.11716	16.9
209.15298	17.5
216.80173	1.5
227.13008	9.2
227.16370	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.4
55.05783	0.8
57.03431	1.5
57.07090	0.9
59.05001	1.8
67.05498	1.8
68.99796	0.6
69.03416	1.1
69.07063	2.9
69.12984	2.7
71.04998	5.6
73.06565	0.7
73.44767	0.4
79.05495	1.9
81.07059	3.8
82.06559	0.6
83.04980	1.6
83.08619	9.7
85.06551	2.1
86.09717	1.9
91.05476	1.5
93.07042	4.7
95.04968	31.7
95.08620	3.7
97.06528	5.3
97.10183	1.4
98.09710	0.8
99.04469	4.1
99.08090	7.5
100.11256	100.0
105.07032	2.9
107.04945	0.5
107.08593	5.7
109.06522	4.7
109.10164	2.8
111.08080	1.8
113.06023	0.6
113.09643	0.7
115.07561	2.1
117.06969	0.4
117.13902	1.5
119.08574	1.9
121.10133	6.2
123.08105	0.9
123.11711	1.8
125.09615	3.1
127.07548	3.8
131.08585	1.7
133.09175	0.8
133.10130	10.7
135.08060	1.3
135.11681	1.5
137.09650	1.0
139.03879	0.6
139.08673	0.8
139.11177	3.3
140.04680	0.5
140.98434	0.5
143.10669	2.0
145.10121	0.4
147.11674	2.6
149.09616	0.8
149.13257	2.5
151.11206	1.5
153.09113	10.0
155.07082	0.4
158.10904	0.4
163.14848	1.9
165.12796	1.0
167.07054	1.0
167.14334	0.5
171.10152	5.8
173.13269	4.5
181.04979	1.0
183.06596	0.6
191.14323	4.3
209.08131	1.1
209.16713	16.1
227.17505	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05509	4.5
57.03437	2.4
59.05000	3.3
62.40161	1.6
67.05505	6.1
68.99803	5.6
69.03427	6.9
69.07077	9.9
69.61700	7.4
71.04999	18.7
73.02901	2.2
73.06544	2.2
79.05495	4.3
81.02675	1.3
81.07058	11.4
81.42509	1.5
83.04990	3.0
83.08605	3.9
85.06545	5.6
86.61079	1.5
91.05473	6.0
91.37734	1.4
93.07053	19.1
95.04972	100.0
95.08622	9.8
97.06538	30.9
97.10204	2.3
99.04456	19.9
99.08089	19.0
100.11256	3.2
105.07037	8.0
107.08579	15.7
109.06515	20.1
109.10149	7.3
111.04429	4.1
111.08094	5.6
113.05989	2.4
115.06751	2.2
115.07574	39.5
119.08583	5.8
121.10149	16.4
122.10491	1.6
123.08012	2.6
123.11731	3.0
125.09633	6.6
127.07527	8.1
131.08559	5.4
133.10130	34.8
135.08054	4.3
135.11659	4.4
137.09595	2.2
139.03905	5.4
139.11189	8.0
140.04660	2.7
145.10068	2.2
147.11676	8.0
149.13214	8.6
151.11153	4.5
153.05591	1.5
153.09105	34.1
155.07033	3.5
158.10838	1.6
161.13234	1.8
163.14883	5.6
167.07047	4.0
167.32933	1.7
171.10197	7.2
173.13281	17.7
177.05482	2.2
181.04993	6.9
181.08612	4.1
191.14325	12.8
209.08165	7.5
209.15378	16.3
227.16405	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
52.70710	1.3
55.05510	9.1
55.51364	1.1
57.03425	6.1
57.07059	5.1
59.05012	7.0
67.05502	4.3
69.03420	4.5
69.07070	11.6
69.41196	4.6
69.41593	2.7
70.41604	1.2
71.04990	25.8
73.06564	2.6
77.03905	1.4
79.05497	6.7
81.07053	17.3
83.04964	4.5
83.08601	4.8
85.06539	8.6
91.05479	6.0
93.07046	24.0
95.04969	100.0
95.08609	18.3
97.06540	22.3
97.10162	3.1
99.04459	14.5
99.08093	33.1
100.68619	1.3
105.07026	14.3
107.08599	24.3
109.06516	25.4
109.10161	11.9
111.08108	7.7
111.08723	1.3
113.05984	1.7
113.09653	3.8
115.07573	16.8
117.07033	2.0
119.08614	10.7
121.06492	2.2
121.10145	27.7
123.08066	2.5
123.11721	8.2
125.09637	10.9
127.07549	23.4
131.08589	9.3
133.10130	46.2
135.08046	6.6
135.11688	8.4
137.09610	6.0
139.10352	1.4
139.11191	16.0
143.08603	2.1
143.10651	4.6
145.10138	1.7
147.11685	14.7
149.09619	3.2
149.13237	14.9
151.11171	7.7
153.09106	38.6
153.12761	1.6
163.14856	8.6
165.12761	2.9
171.10161	16.2
172.63174	1.5
173.13271	23.8
191.14304	20.1
205.10999	1.5
209.15352	24.2
215.40453	1.2
227.16403	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
54.55806	1.5
55.05513	6.3
57.03436	4.3
57.07071	3.4
59.04991	6.3
65.53510	1.4
67.05501	5.9
68.89038	1.4
69.03439	2.7
69.07067	9.5
71.04997	22.1
71.63924	1.4
73.06557	3.6
79.05486	6.0
81.07052	11.4
83.04987	2.8
83.08614	5.4
85.06558	10.3
85.06979	1.6
91.05486	5.9
93.07053	22.4
95.04970	100.0
95.08602	14.1
97.06522	18.9
97.10188	3.5
99.04449	15.5
99.08101	25.1
105.07034	11.5
107.08601	24.1
109.06514	14.3
109.10145	10.8
109.10773	1.7
111.08092	6.8
112.99584	1.7
113.05980	2.9
113.09622	2.7
115.07562	9.8
119.08588	6.4
121.10141	25.7
123.08080	3.0
123.11716	11.6
125.09653	10.0
127.07572	15.4
131.08580	4.9
133.09175	2.7
133.10138	35.7
135.08043	5.6
135.11690	7.5
137.09688	2.4
139.11166	13.1
142.63171	1.7
143.10638	5.3
145.10103	2.7
145.71439	1.6
147.11714	8.8
149.09709	2.6
149.13234	8.9
151.11115	3.2
153.09113	26.7
163.14824	7.1
165.12875	2.0
167.07016	2.7
171.10170	19.2
173.13286	13.3
191.14290	14.4
208.04736	1.6
209.15376	21.4
227.16431	84.7
228.16878	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.37809	1.7
53.03940	1.9
55.01464	1.3
55.01866	3.1
55.05510	13.1
57.03434	13.5
57.07068	3.3
60.50337	1.4
64.88502	1.5
67.05507	71.6
69.07072	20.7
70.06482	4.0
71.05004	8.1
73.02900	1.6
77.03918	1.7
79.05495	37.9
81.03401	2.2
81.07057	100.0
83.04982	10.4
83.08621	14.1
85.06520	7.6
87.15072	1.3
91.05488	20.3
93.07047	69.1
94.39371	1.6
95.04948	5.1
95.08607	26.5
97.06524	13.5
97.10155	2.0
99.08087	4.7
100.11247	2.7
105.04530	2.4
105.07029	8.6
107.08595	32.8
109.06500	3.1
109.10165	3.6
111.08114	8.4
113.05952	1.6
117.07023	10.8
121.06491	5.8
121.10154	19.3
123.11694	1.9
127.07542	1.6
131.08569	12.8
133.10147	11.3
135.08032	2.9
135.11688	15.0
139.11186	1.6
148.44989	1.4
149.13264	56.2
150.13542	1.7
151.11119	2.2
159.11688	26.0
177.12733	14.7
195.13821	24.3
213.14854	2.0
227.18422	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44913	1.5
54.29621	1.8
55.01868	2.6
55.05509	14.9
57.03442	12.3
57.07076	3.3
62.80736	1.8
67.05507	82.6
69.07074	22.0
71.05003	11.6
78.57048	1.7
79.05498	37.0
81.03441	3.1
81.07059	100.0
82.11995	1.8
83.04581	1.6
83.04970	9.1
83.08622	19.4
85.06557	5.6
91.05479	21.6
93.07046	70.3
95.04977	4.7
95.08608	25.9
97.06523	14.2
97.10188	2.2
99.08104	5.2
100.11247	5.6
105.07058	6.4
107.08598	38.6
109.06524	4.5
109.10175	5.9
111.08099	11.4
116.58382	1.6
116.77249	1.6
117.07018	11.6
119.08637	3.5
121.06492	2.7
121.10146	19.0
123.11712	3.4
131.08557	14.0
133.10138	12.0
135.08128	2.2
135.11710	19.6
138.61916	1.7
139.07486	1.8
147.11626	2.3
149.13260	62.0
151.11235	2.8
159.11693	29.4
161.36861	1.5
163.07181	1.8
167.14346	2.0
177.12802	17.6
180.41176	1.7
195.13834	25.1
213.14893	2.8
223.58723	1.9
227.06934	2.5
227.10649	2.7
227.17770	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03940	0.8
55.05517	4.2
56.02664	0.8
57.07066	1.4
65.03941	1.0
67.05507	22.1
69.07061	3.5
71.04996	100.0
79.05494	9.4
81.07059	25.6
83.08628	2.4
85.06539	2.0
91.05489	4.0
93.07053	13.9
95.04971	2.3
95.08603	13.6
97.06538	3.3
97.10177	1.5
100.11259	5.1
105.07035	2.6
107.08607	7.0
109.06528	1.5
109.10126	2.0
111.08088	2.8
113.05985	0.9
117.07040	3.8
119.08586	1.1
121.10146	1.8
123.08089	1.4
125.09647	1.2
127.75300	0.9
131.08571	4.7
131.97424	1.1
133.10104	5.0
135.11685	10.2
143.08565	2.0
149.13237	4.9
154.21443	1.0
157.10152	1.1
159.11705	7.8
163.08467	0.9
177.12759	1.8
195.13863	2.0
209.15436	2.5
213.95760	0.7
227.12654	2.1
227.15523	2.9
227.17911	4.6
232.92383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.3
55.01870	6.2
55.05514	30.3
56.96571	11.3
57.03440	40.5
57.07077	3.5
59.04996	1.5
60.08182	1.2
61.02932	4.1
65.03966	1.7
67.05514	11.0
68.05061	1.1
69.03431	100.0
69.07069	12.0
69.62123	3.8
70.06583	7.6
71.01344	7.0
71.04993	28.7
72.08173	1.0
73.02921	13.6
79.05505	8.6
81.03423	35.2
81.05499	1.0
81.07063	12.0
83.01384	1.7
83.04987	16.8
85.02909	59.0
85.06545	39.1
86.09695	1.8
87.04461	5.2
89.02428	1.1
91.05485	8.7
93.07040	14.3
95.04968	9.4
95.08611	6.5
96.82212	0.9
97.02893	32.0
97.06535	8.0
97.99214	0.9
98.23395	1.4
98.97576	6.8
99.00851	1.4
99.04463	22.4
101.02409	1.3
103.05479	1.6
105.07021	5.3
105.69608	1.0
107.04970	1.7
107.08611	1.9
109.02877	9.8
109.03550	1.1
109.06535	8.8
109.10178	2.2
111.04440	9.0
111.08099	2.4
115.03951	3.9
115.05462	1.1
116.00263	2.2
116.07114	2.1
116.98671	2.7
117.07037	3.4
119.08567	5.5
121.06515	8.2
123.04447	1.2
123.08086	3.8
124.99120	1.8
125.06016	2.1
127.03920	54.2
127.07494	1.1
129.05486	15.4
133.06496	1.9
135.08092	3.9
137.06039	2.1
139.07602	2.6
141.05595	0.9
142.08644	7.5
143.00174	4.6
145.04968	10.9
147.08034	5.6
151.07573	3.3
153.05432	0.9
155.07072	1.7
156.03329	4.0
157.03687	5.2
161.01218	3.7
163.07590	1.6
165.09137	2.2
174.04424	3.5
175.04750	4.0
175.07561	1.3
186.04410	2.7
187.04692	8.0
189.00732	14.3
204.05502	1.2
205.05728	8.0
207.01772	16.6
219.05353	2.4
226.93042	1.0
229.05795	2.8
229.10628	8.3
229.15477	21.3
246.98053	2.0
247.06874	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1213
Annotation	Stilbostemin B
Peak:m/z	Relative Intensity
52.79682	0.3
53.03936	0.5
57.03418	0.3
57.20892	0.3
66.87010	0.3
67.05492	0.5
68.87953	0.4
69.03426	0.5
69.30594	0.5
69.31004	1.1
69.71635	0.3
77.03928	0.7
79.05489	5.9
81.07040	0.4
91.05481	1.3
94.87381	0.3
95.04961	1.3
95.08591	1.3
97.13049	0.3
103.05471	3.9
105.07026	100.0
106.07376	0.9
108.05727	0.3
109.06525	0.6
123.08054	1.9
123.59677	0.4
124.99394	0.3
125.06007	0.3
133.06474	2.2
137.05975	7.1
138.06743	0.6
151.07536	26.3
152.07953	0.5
183.27754	0.3
229.12230	17.8
230.12506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1217
Annotation	Nabumetone
Peak:m/z	Relative Intensity
55.01849	0.3
57.03455	0.7
57.65563	0.3
64.61909	0.3
67.05505	2.7
69.03419	0.4
69.74013	0.6
69.74382	0.6
70.07673	0.3
77.03927	0.5
79.05491	5.8
81.07047	0.6
83.01351	0.6
91.05471	1.9
93.07088	0.4
95.04982	1.5
95.08616	1.6
98.23389	0.5
103.05466	3.6
105.07028	100.0
106.07354	0.5
108.05733	0.3
109.06500	0.5
109.10161	2.2
123.08102	1.8
125.05992	0.3
133.06488	2.5
137.05975	7.3
138.06757	0.4
146.09686	0.3
146.91881	0.5
151.07542	25.8
173.11758	0.7
202.25943	0.3
229.12239	16.0
229.14258	0.9
229.23662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Nabumetone
Peak:m/z	Relative Intensity
50.01582	0.1
51.02383	0.1
53.03944	0.2
55.01868	0.2
55.05500	0.1
57.03432	0.2
65.03947	0.1
67.05502	0.7
68.99796	0.3
69.03423	0.4
72.08145	0.1
75.58904	0.1
77.03901	0.5
79.05491	6.5
81.03438	0.1
81.07065	0.3
83.01337	0.4
83.05003	0.1
83.08634	0.1
91.05471	1.4
93.07047	0.2
95.04970	1.7
95.08600	1.7
102.09152	0.1
103.04763	0.1
103.05466	4.2
105.07024	100.0
106.07357	0.9
107.04961	0.2
108.05753	0.3
109.06533	0.6
113.34375	0.0
115.05435	0.1
119.06061	0.1
119.08483	0.1
121.06522	0.2
123.04468	0.4
123.08066	2.5
125.05965	0.3
132.52245	0.1
133.06480	2.3
136.05196	0.1
137.05972	7.6
138.06770	0.8
146.09627	0.3
151.07535	28.9
152.07904	0.3
155.08566	0.1
168.62956	0.1
183.11674	0.1
187.11221	0.1
193.10023	0.1
209.69591	0.1
211.11153	0.2
214.44576	0.1
223.60251	0.0
229.12224	16.4
230.12608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01854	0.4
56.96566	4.5
58.06603	4.9
59.07390	0.9
60.07866	0.4
60.08170	6.8
60.22068	0.2
62.04092	0.2
68.05032	0.8
70.06596	32.7
70.43468	0.2
70.43796	0.4
72.08180	0.7
73.09306	0.3
76.80891	0.2
86.09726	0.4
96.08131	1.0
97.99212	0.3
98.06073	0.6
98.97590	8.6
114.05544	3.9
114.09174	1.5
116.07091	0.8
116.98632	4.1
124.07593	3.2
124.99116	0.4
126.02268	0.4
126.09160	0.6
134.01256	0.3
134.99657	0.9
140.03809	0.5
142.05518	0.5
142.08641	30.6
143.00128	0.3
158.04884	0.8
160.06491	0.5
167.89095	0.2
170.04915	0.3
170.08133	1.4
188.05980	0.6
189.00728	1.8
189.04344	0.8
206.07010	2.4
207.01868	1.0
219.65720	0.2
224.08084	2.3
229.15482	100.0
230.07057	1.2
230.15852	1.1
248.08104	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
58.06599	4.9
59.07383	1.2
60.08164	6.9
68.05021	1.0
70.06591	34.5
70.81289	0.3
72.08172	0.8
80.70000	0.2
84.04506	0.6
96.08128	1.3
98.06054	0.6
114.05529	3.6
114.06660	0.6
114.09173	1.8
116.07095	1.0
124.07592	3.1
126.09143	0.9
142.08632	31.4
158.31654	0.2
170.08089	1.7
183.11298	0.3
184.04622	0.3
187.05618	0.2
212.05301	0.2
229.15466	100.0
230.15869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05517	14.3
57.03427	1.7
57.07071	3.1
59.05000	4.5
60.82015	1.7
66.61064	1.4
67.05500	15.6
69.03425	3.9
69.07060	10.6
70.06606	1.6
71.04996	10.0
71.44682	1.7
72.67164	1.4
79.05507	8.2
81.03414	1.8
81.07064	22.1
83.04990	4.4
83.08611	11.7
85.06538	4.5
87.04471	3.7
91.05488	7.7
93.07053	19.6
95.04979	18.0
95.08613	40.1
97.06512	7.4
99.04458	9.1
99.08098	100.0
105.03403	3.3
105.07011	9.9
107.08595	27.2
109.06513	3.7
109.10160	57.2
111.08084	5.9
111.11723	3.3
113.09647	4.5
117.09170	2.2
119.08579	19.7
121.10141	4.5
123.08083	3.1
123.11700	4.7
125.09583	3.5
127.07527	2.0
127.11193	6.7
133.10133	11.1
135.11702	47.3
137.09628	13.0
146.06041	1.9
147.11725	1.9
149.13232	3.5
151.14842	2.3
153.12730	23.4
155.10664	22.5
169.08559	1.6
171.13820	10.1
175.14819	21.0
183.09196	25.6
192.76132	1.5
193.15886	13.8
205.98805	2.2
211.16936	38.0
229.06676	2.2
229.09753	19.0
229.18033	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	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05511	7.9
57.03427	0.9
57.07066	2.1
57.66513	0.5
59.04999	2.9
60.29382	0.6
66.74416	0.5
66.79865	0.5
67.05505	12.1
69.03414	1.5
69.07079	4.3
70.06597	1.0
71.01336	0.6
71.04992	8.1
71.16735	0.4
71.44020	0.5
73.06554	0.5
79.05486	2.7
81.07058	7.6
83.04988	2.7
83.08620	7.0
85.06537	2.3
87.64508	0.6
91.05494	2.4
93.07048	8.0
95.04358	0.7
95.04969	14.8
95.08606	26.8
97.06532	4.5
97.10149	0.6
99.00772	0.7
99.04463	11.0
99.08092	100.0
100.08406	0.8
101.05982	0.9
105.07026	2.8
107.04974	0.6
107.08585	6.7
109.06475	2.7
109.10155	47.7
111.08084	2.1
113.05955	1.4
113.09619	1.3
115.05450	0.7
116.07138	0.7
117.09126	3.0
119.01956	0.9
119.08563	4.9
121.10149	3.6
123.08101	2.0
123.11726	1.7
127.07574	1.2
127.11214	1.7
133.10136	3.9
135.10736	1.1
135.11684	10.1
135.12643	0.8
137.02917	0.7
137.09610	15.9
139.11159	1.3
145.96635	0.9
147.11774	0.7
149.13246	1.2
151.03856	4.2
151.11174	2.3
151.14836	0.8
153.12756	1.5
155.10658	21.1
157.06458	0.7
165.16359	1.0
173.06036	0.9
175.03816	0.7
175.14824	7.1
183.08102	0.9
193.15880	9.4
205.98804	1.2
207.33774	0.6
211.07591	0.7
211.16922	27.9
229.08600	2.8
229.11961	0.9
229.15529	2.4
229.18005	4.5
229.23569	1.0
239.74873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.04496	2.2
52.18760	2.1
53.22390	1.8
55.05519	11.4
57.07082	2.5
67.05506	16.8
69.03437	3.2
69.07063	7.2
69.27738	8.9
71.01349	2.0
71.04993	10.0
81.07064	12.9
83.08620	12.4
85.06525	3.6
90.94822	2.0
91.05486	3.7
93.07043	12.7
93.21562	2.4
95.03098	2.0
95.04969	11.5
95.08614	36.3
97.06557	5.2
99.04439	9.4
99.08096	100.0
105.07039	3.5
107.08569	18.9
109.10156	49.5
109.10886	3.3
111.08073	4.2
117.09169	2.3
119.08584	11.3
123.11716	3.2
127.11217	6.6
133.10126	8.5
135.11703	32.3
137.09607	11.3
153.12730	16.8
155.10666	22.5
171.13838	6.9
175.14848	13.4
187.87613	2.2
193.15938	12.4
200.09903	2.0
211.16933	35.8
223.68504	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	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	31.7
58.06591	1.9
59.07403	0.6
60.07876	0.4
60.08158	2.5
69.98820	1.2
70.06237	0.8
70.06593	11.2
71.06931	2.7
71.95255	0.8
72.96035	1.4
76.15759	0.4
83.97572	0.5
84.01425	0.4
84.04496	0.7
84.08123	1.3
84.96058	0.6
86.09698	5.3
94.96938	0.5
96.08155	0.5
98.97581	100.0
110.97568	0.9
114.05510	0.8
114.09132	0.5
116.00204	1.9
116.07092	0.9
116.98621	49.0
124.00706	0.6
124.07581	1.5
125.07914	0.6
126.02275	1.7
128.98608	0.7
134.01254	1.7
134.99652	14.1
140.00218	0.5
140.03781	3.3
142.05447	2.7
142.08636	8.4
143.08980	4.0
144.03357	1.4
153.00702	1.0
158.04851	4.1
160.06435	6.0
170.04854	1.7
171.03278	3.2
176.05974	0.9
178.07486	1.1
188.05928	3.8
189.00664	0.5
189.04350	14.4
189.06105	0.7
202.07487	1.3
203.05940	0.9
206.06996	9.3
207.05363	5.3
212.05936	1.4
213.04265	0.7
224.08049	9.4
229.15459	14.9
230.06990	16.5
230.15796	21.1
231.05368	3.1
248.08052	26.8
249.06407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71204	0.5
57.07074	18.8
66.98697	0.5
67.05497	1.4
69.03446	3.8
69.79848	1.7
72.75314	0.6
74.35881	0.5
79.69001	0.5
85.19978	0.5
86.06065	100.0
87.04464	13.1
104.07107	18.8
109.10163	1.5
127.11183	4.6
174.18549	1.4
196.74074	0.6
230.10211	1.1
230.17502	2.1
230.24564	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	230.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
56.30052	0.3
56.96557	0.4
57.07075	20.6
57.88124	0.3
60.08165	0.9
67.05499	2.1
69.07056	0.8
69.92176	1.3
72.04503	0.5
73.02901	1.3
81.07060	0.9
81.83340	0.4
83.08611	0.4
93.07034	0.5
102.16513	0.4
109.10145	2.3
127.11195	2.0
137.03227	0.4
149.13240	0.6
159.15388	0.4
166.15903	0.9
167.14308	0.4
171.13799	100.0
172.14131	0.5
208.08980	0.4
212.16444	5.2
220.32593	0.4
230.21146	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	231.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
55.05514	0.7
56.05077	0.7
56.96570	6.5
58.06615	0.8
68.98301	1.5
69.03426	1.0
69.07082	2.1
70.06595	7.3
71.06932	1.9
71.43732	0.8
72.08158	4.3
73.01444	0.9
82.99873	2.0
84.04516	1.9
84.08140	5.8
85.01421	5.6
85.02926	0.7
85.06585	0.9
86.09710	19.2
86.99343	1.4
87.10035	1.0
91.02480	0.8
91.39541	0.7
97.99174	0.9
98.97563	3.2
101.00881	21.1
103.02448	17.9
105.00449	0.8
109.99162	1.3
111.04532	0.7
113.00881	1.2
116.07096	2.0
116.98665	3.3
117.04013	9.6
117.07444	0.8
119.01924	65.3
121.03486	6.4
124.07549	0.8
127.02409	3.3
128.00215	2.5
129.00357	3.2
131.01904	3.3
131.50606	0.8
133.03461	4.1
134.99666	1.3
135.05051	7.7
137.02966	12.8
141.03343	0.7
142.08600	1.1
145.03491	47.8
146.01285	2.1
147.01392	25.9
151.04501	1.4
158.09250	0.8
159.05026	1.7
161.01239	0.6
161.01556	0.9
161.02966	12.8
163.04568	26.0
165.02486	7.8
168.05113	0.8
170.03053	0.8
171.01384	17.9
171.04939	0.7
171.11319	2.4
173.02972	2.4
177.06148	0.9
179.03967	3.8
183.03535	1.5
185.03130	0.7
185.04785	0.8
186.04359	0.9
186.07645	0.8
187.04504	3.7
188.07094	1.5
189.02451	100.0
189.05977	2.9
190.02563	1.5
191.04060	1.2
199.00793	1.0
205.05611	1.5
207.01767	2.1
207.03508	19.1
207.06538	1.1
212.03989	2.0
213.06619	1.2
213.12279	0.9
230.15843	2.4
230.24823	0.7
231.03496	38.3
231.07033	5.9
231.13535	1.8
231.16354	1.0
232.14088	2.3
249.04552	10.8
249.08585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.00302	0.4
53.03948	8.9
55.01875	4.3
55.05508	0.8
56.58873	0.3
57.03434	4.5
57.07045	0.4
59.05016	0.7
61.02937	2.7
65.42260	0.4
67.01860	0.5
67.36508	0.4
68.99802	4.1
69.03429	100.0
69.96736	1.1
70.03745	0.5
70.98330	0.3
71.01362	1.0
71.04992	8.3
72.08158	2.0
73.02918	1.0
81.03417	57.1
81.07043	0.4
83.01356	3.1
83.04990	0.9
85.02905	69.8
85.06537	0.4
87.00830	27.9
87.04465	0.8
91.05479	0.4
93.07037	0.4
95.08613	0.4
97.02893	47.6
97.06493	0.4
98.22685	0.4
98.97621	0.5
99.04456	20.4
99.08123	0.4
101.02384	0.5
105.01856	6.2
108.18434	0.3
109.02881	25.3
111.00795	1.5
115.03930	1.0
120.08900	0.4
125.02330	0.6
127.03915	41.1
128.58392	0.3
132.10226	0.5
134.23170	0.3
135.11732	0.5
144.79146	0.4
145.04970	4.5
159.02951	0.4
171.02863	1.9
171.06471	0.3
176.15121	0.5
213.03957	2.4
230.49182	0.4
231.04948	9.8
231.06972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03942	0.7
55.05509	9.5
56.96552	0.5
57.05816	0.9
69.03419	0.7
69.07069	1.1
70.85223	0.7
72.08154	100.0
72.96154	0.5
74.41109	0.5
86.09704	87.1
109.22394	0.5
112.54838	0.5
116.98600	0.7
118.08624	1.7
130.36714	0.5
132.10210	6.2
145.02794	0.6
160.09669	2.0
162.47316	0.5
185.07040	0.9
185.16510	4.8
206.40135	0.5
214.14462	0.6
230.46381	0.5
231.07564	0.7
231.11371	0.6
231.17026	10.1
247.93565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03946	0.8
55.01866	0.2
55.05515	9.9
56.05040	0.3
56.96561	0.4
57.05814	0.9
68.99800	0.2
69.03430	4.0
69.74535	0.8
70.06571	0.3
72.08157	100.0
81.03428	2.3
85.02914	2.9
86.09196	0.3
86.09713	4.8
86.91885	0.2
87.00821	1.0
91.05511	0.3
97.02892	2.7
98.21240	0.2
98.97588	0.4
99.04463	0.7
105.01867	0.3
109.02885	1.4
116.98644	0.4
127.03918	1.4
127.80435	0.2
132.10205	3.5
134.99579	0.2
138.83464	0.2
143.75006	0.2
144.93597	0.2
145.05031	0.3
185.16548	1.1
213.03976	0.3
231.11581	0.3
231.14731	0.2
231.17014	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	Leu Val
Peak:m/z	Relative Intensity
55.05507	2.2
55.25635	0.2
56.96564	0.4
57.05816	0.3
65.20056	0.3
69.03422	0.7
69.07077	0.7
69.50391	1.0
70.06580	0.5
72.08154	23.9
79.94498	0.2
81.99658	0.3
85.02909	0.4
86.09704	100.0
87.10000	0.6
98.97573	0.4
106.47144	0.3
107.47600	0.3
113.21412	0.3
116.98580	0.3
118.08656	2.7
120.08109	0.5
132.10217	1.0
160.09702	0.9
177.97455	0.3
185.07060	1.5
185.16527	3.1
189.01758	0.4
231.07680	0.7
231.17021	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	232.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.12742	0.4
56.96553	1.1
58.96177	0.4
60.05651	0.4
61.01135	1.0
63.33955	0.5
67.58264	0.6
69.07061	1.9
70.06574	1.5
70.14336	1.2
72.08157	1.2
82.99844	1.4
84.08145	1.5
86.09706	42.9
97.06528	4.5
98.97572	1.5
100.02478	1.6
100.97176	2.1
100.98026	1.5
101.00879	13.9
101.01542	0.7
104.05325	0.6
108.45935	0.4
112.02483	0.8
112.76392	0.4
113.00876	0.7
116.07127	0.5
116.98634	0.7
118.03533	4.7
118.98220	1.1
118.99022	0.6
119.01920	36.7
120.02017	0.6
130.03473	1.4
131.01900	1.8
134.99596	0.5
137.02960	6.5
142.03438	0.5
144.05063	1.8
154.03452	1.3
155.05511	1.3
157.03574	0.5
162.09706	1.0
168.08656	2.7
169.15332	0.5
172.04558	1.7
173.02969	1.1
173.06671	0.6
186.09750	32.4
187.09976	0.7
191.07683	0.6
196.08267	1.0
197.06606	2.7
202.05594	1.3
204.10818	10.3
205.03949	1.0
214.09236	41.2
215.02229	0.9
215.07570	2.2
215.09409	1.0
232.05460	2.4
232.10298	100.0
233.03287	1.2
233.08646	1.4
233.10576	1.7
244.02518	0.5
250.08459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1544
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
50.10289	0.2
57.03438	1.1
58.06619	0.2
60.08163	8.4
66.65344	0.2
68.07695	0.2
69.74696	0.8
71.04994	1.9
71.30985	0.2
84.08149	0.3
85.02904	100.0
86.03236	0.3
86.09732	0.2
88.28374	0.2
144.10220	1.7
173.08098	10.7
232.15431	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23932	0.2
57.06820	0.3
57.07079	4.3
58.06586	0.6
62.06078	0.6
69.07060	0.2
70.06593	11.7
71.08632	3.0
71.43771	0.2
74.06105	0.2
85.10173	1.6
86.06057	0.3
88.07632	16.6
102.09180	4.4
106.08669	9.5
106.09258	0.1
119.53831	0.2
127.17980	0.2
149.01213	0.3
152.51337	0.2
156.86972	0.2
169.32254	0.2
170.19064	0.3
174.12869	0.2
188.20062	1.0
214.21664	6.6
215.21814	0.2
217.43761	0.2
232.22710	100.0
233.23073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54398	7.6
56.96565	67.4
58.85776	9.4
61.62567	8.4
64.31599	10.4
67.52914	9.7
74.03557	9.1
84.04587	8.9
84.08150	11.6
98.97578	15.7
100.99152	14.1
101.00879	51.7
110.97570	25.1
119.01904	49.1
128.98624	21.9
131.01871	10.4
143.01938	67.8
144.98148	12.3
145.03477	15.4
146.99626	11.4
158.99615	13.4
161.02966	100.0
173.03018	22.6
190.98640	27.3
191.04044	20.9
208.99687	31.4
233.04338	33.7
233.06342	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	D-Arabinitol 1-phosphate
Peak:m/z	Relative Intensity
56.96573	15.7
62.58796	1.2
64.43199	1.3
66.60455	1.3
70.06574	2.3
71.06882	1.2
72.08118	3.3
77.48754	1.2
79.87991	1.4
82.99807	2.9
84.08128	1.5
84.96013	1.7
85.02846	3.5
86.09655	1.6
87.02569	1.1
98.97536	4.8
100.99089	4.7
101.00880	31.5
110.97531	3.0
111.04378	4.0
116.98598	1.5
119.01922	100.0
126.97009	1.5
127.03922	1.4
128.98538	2.4
133.03415	1.9
137.02965	25.1
137.95711	1.4
143.01848	2.7
144.98068	2.2
145.03477	7.0
146.99594	2.2
155.06877	3.1
159.04977	1.2
161.02959	7.8
162.99095	1.8
163.04424	4.9
165.00563	2.2
172.97577	1.6
173.02834	2.1
173.08020	4.3
187.04575	6.3
187.05940	1.9
190.98488	5.0
191.03917	5.4
197.02846	2.4
205.05579	6.3
205.07182	1.5
208.99684	7.8
215.03998	41.4
215.07144	1.8
217.10753	6.7
233.04916	52.0
233.14977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03944	1.9
55.01875	6.3
55.05506	4.9
57.07072	2.7
67.05510	7.4
69.03439	6.7
69.07068	3.6
70.06602	5.9
70.74178	1.4
71.04990	3.6
77.03915	2.4
79.05495	18.3
81.03426	3.0
81.07077	5.9
83.04967	5.9
88.07641	10.1
91.05490	15.1
93.07056	16.7
95.04970	11.1
95.08610	3.8
97.06542	11.7
99.04457	4.6
102.09168	1.6
103.05473	2.8
105.03408	1.6
105.04509	1.3
105.07037	32.9
106.08665	4.5
107.04970	10.5
107.08557	1.6
108.08114	3.2
109.06531	3.8
109.10187	1.4
111.04432	1.5
115.05444	3.1
117.07026	11.9
119.04957	7.9
119.08604	6.3
121.02857	2.0
121.06512	40.5
121.10116	2.4
125.05782	1.3
128.06180	4.6
129.07016	6.8
130.07773	5.7
131.04938	2.0
131.08577	15.6
132.05630	1.6
133.06487	11.2
133.10124	4.7
134.09610	1.6
135.04404	4.0
135.08092	2.4
137.06007	5.8
141.06984	4.9
143.08565	9.0
144.05714	1.9
144.09357	4.4
145.06493	14.1
145.10135	40.6
146.07272	2.1
147.08046	3.0
153.06920	2.2
154.07785	8.4
155.06003	1.8
155.08534	10.8
157.06593	2.0
157.10071	1.7
158.07275	18.0
159.08049	19.3
159.11693	23.5
160.08810	4.6
161.05997	1.3
161.09587	4.0
163.07484	1.7
167.08580	1.5
169.10133	12.0
171.08069	3.7
172.08829	7.8
173.09627	100.0
174.10292	1.6
175.07668	1.9
179.08592	4.8
181.06438	1.7
182.07251	5.2
187.11189	54.1
187.12923	2.5
190.15863	10.1
191.03403	11.6
191.10718	4.5
197.09631	16.3
205.08578	1.6
205.12222	2.9
214.21657	3.0
215.10689	51.3
216.17532	2.1
217.10744	2.2
232.22717	36.9
233.08261	9.7
233.11726	77.3
233.15399	3.3
233.19351	1.7
233.20517	1.4
233.23038	23.9
247.67775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
55.01863	5.6
55.05508	3.3
65.03938	2.2
65.08455	1.3
67.05506	6.7
69.03066	2.8
69.03428	45.9
69.07066	9.3
70.06567	2.3
71.04969	2.6
77.03926	1.4
79.05494	19.0
81.07056	6.5
83.04974	1.9
91.05479	27.8
93.07030	8.6
95.04997	9.0
95.08620	1.6
97.06530	34.7
99.04430	3.6
103.05443	2.6
105.07024	41.6
107.04945	6.2
107.08585	6.4
109.06502	4.3
114.77177	1.4
115.05460	3.2
117.07024	13.4
119.04959	14.9
119.08586	10.5
120.48360	1.5
121.06490	8.8
121.10146	1.8
128.06198	4.1
129.06998	9.3
130.00873	1.5
130.07770	7.4
131.07657	2.3
131.08568	27.0
133.06506	8.3
133.10126	9.2
135.04451	2.2
135.14740	1.4
137.05983	38.5
141.06975	4.9
142.07745	2.6
143.08554	11.1
144.05673	2.4
144.09325	6.4
145.06490	12.9
145.10120	71.9
146.07196	2.1
147.04395	2.2
147.07983	2.5
151.07599	1.6
154.07762	9.9
155.08540	6.2
156.09288	2.6
157.10123	4.3
158.07253	14.9
159.08063	12.3
159.11694	40.4
159.12956	3.0
161.09621	6.1
163.11235	1.6
169.10138	15.9
171.08009	1.4
171.11688	3.5
172.08794	7.3
173.09613	88.3
177.12750	1.9
179.08681	2.4
182.07198	2.7
187.11183	78.6
189.09032	4.3
189.12686	2.3
190.15952	2.0
191.10658	2.6
197.09631	8.4
205.12343	6.5
215.10669	100.0
215.17854	2.6
217.10713	3.6
232.20531	3.4
232.22667	1.6
233.07993	3.2
233.11722	67.7
233.15372	4.7
233.20731	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05508	1.0
56.05038	18.0
56.96570	2.7
57.03433	2.9
58.06602	4.0
60.26813	0.4
62.79087	0.4
66.25155	0.4
69.07068	0.5
70.06599	1.2
70.26598	0.7
70.26904	0.4
72.07787	0.5
72.08160	5.7
74.06082	100.0
74.96472	0.4
75.04475	0.5
83.04973	0.5
84.04514	3.5
84.08153	1.5
85.64523	0.4
86.09709	22.3
98.09670	0.5
100.99136	0.5
101.06048	0.5
101.07152	2.0
111.04443	1.3
116.07086	0.5
128.98604	0.5
130.08653	0.5
132.10204	17.8
134.08121	3.1
142.12241	0.9
143.11826	0.9
146.08127	0.6
155.07021	1.1
169.13367	1.4
173.01266	0.4
173.08128	1.4
182.64851	0.4
187.14421	11.0
190.98672	0.7
191.02245	0.5
208.99675	0.9
215.13908	5.2
217.10699	2.6
224.19656	0.4
233.08075	0.7
233.14973	13.0
234.09894	0.4
234.15129	0.5
234.18166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1853
Annotation	Tebutam
Peak:m/z	Relative Intensity
55.05506	1.0
56.05029	0.7
57.07069	0.8
61.93089	0.2
67.05487	0.8
69.03426	0.4
69.07092	0.2
71.06633	0.3
74.19296	0.2
79.05489	0.8
80.19624	0.2
81.07050	1.0
83.04948	0.4
88.93102	0.2
91.05476	1.3
93.07040	1.0
94.06568	1.4
95.08587	0.6
96.08100	0.3
105.07021	2.2
106.17780	0.2
107.04923	0.4
107.08607	1.2
109.06541	0.3
110.09690	0.3
111.04436	0.5
112.11246	0.2
117.07003	1.1
119.04948	0.2
119.08588	2.1
121.06483	0.9
121.10146	0.7
121.12530	0.2
124.11179	0.2
126.12788	2.1
129.07005	0.4
131.08578	1.1
133.06487	4.1
133.10103	1.3
135.08037	0.8
135.11600	0.2
136.07597	0.3
136.11217	1.5
137.13237	0.6
142.07773	0.5
143.08580	2.7
145.10130	0.7
146.07271	0.5
147.08049	8.7
147.11682	0.9
149.13185	0.3
156.67804	0.2
157.10121	1.8
159.08058	0.4
159.11699	0.3
160.08878	2.7
160.11212	0.3
161.09625	5.8
161.13280	0.3
166.15898	3.2
173.08128	0.5
175.11179	3.8
177.16367	0.3
187.14861	0.4
189.12740	3.7
189.16380	0.5
191.14314	0.9
199.14850	0.3
205.16025	0.2
216.17482	1.2
217.10767	1.6
217.15874	16.0
218.16273	0.3
234.18520	100.0
235.18953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
56.05034	9.7
57.07072	7.4
58.06599	6.8
60.04530	1.8
60.19309	0.3
68.05035	0.7
69.03426	0.7
69.07060	0.8
69.48351	0.6
69.48738	0.7
71.08629	4.7
74.06077	9.4
81.07054	0.6
86.06059	1.6
88.07626	26.9
90.05573	0.3
91.83123	0.3
92.27168	0.3
94.85028	0.3
104.07086	1.0
111.04419	0.7
111.08075	1.1
118.08647	6.1
122.08138	6.4
129.04588	0.3
129.05507	0.4
138.12733	0.5
154.15880	0.5
155.07033	0.9
172.16962	0.5
173.08125	1.0
186.18520	52.0
187.18852	0.9
191.06955	0.3
205.08549	0.5
216.19632	1.7
217.10628	2.0
220.34721	0.2
233.33212	0.2
234.08704	0.8
234.18654	4.7
234.20616	100.0
235.20935	1.6
240.03391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.05035	8.7
56.05315	0.5
57.07073	5.7
58.06306	0.3
58.06597	5.4
60.04528	1.8
65.42341	0.2
68.05027	0.5
69.07037	0.4
69.31517	0.7
69.31921	0.5
71.08627	4.5
74.06081	9.1
81.07067	0.2
86.06062	1.4
88.07629	24.8
90.05566	0.4
104.07079	0.7
104.99934	0.2
111.04456	1.0
118.08649	5.4
122.08137	7.1
153.93327	0.2
155.07037	0.7
168.72572	0.2
172.16928	0.3
173.08102	0.8
186.18529	48.7
187.18826	0.6
216.19612	1.9
217.10664	1.7
234.20625	100.0
235.20921	1.2
245.94806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60925	10.0
68.20540	10.6
70.02799	14.2
70.03157	28.7
94.93040	57.9
94.93517	9.2
162.95605	100.0
173.08063	10.5
190.95064	62.0
234.94261	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	234.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77863	5.7
60.29605	5.7
62.97540	6.7
73.67399	6.4
83.97923	6.8
94.93027	59.8
96.24673	6.8
107.59698	6.5
111.04449	16.4
136.94023	100.0
137.21420	8.1
148.40698	6.9
155.07138	7.5
162.95598	70.0
173.08128	14.0
190.93597	9.7
190.95024	52.4
199.26239	7.8
210.77385	6.5
217.10782	20.7
218.10934	9.2
234.60158	7.6
234.94136	10.8
235.05453	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	235.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00174	0.5
55.05497	1.3
56.05025	0.7
57.07076	2.4
58.06589	1.4
62.47916	0.6
62.68209	0.4
67.05496	0.8
69.07068	0.7
79.05490	1.6
80.05006	1.1
81.07055	2.0
81.35553	0.4
83.04994	0.5
83.08619	0.4
83.77600	0.5
85.10133	1.1
91.05466	0.7
93.05785	2.2
93.07047	1.4
94.06567	1.3
95.08610	1.4
96.08143	1.2
101.06014	0.6
105.07015	0.9
106.06561	1.9
107.04964	0.5
107.07344	1.9
107.08568	1.1
108.08115	29.7
109.10188	0.6
110.09659	0.6
112.16889	0.4
120.08074	1.4
121.08889	9.3
122.09663	94.4
123.09995	0.9
124.20768	0.5
125.16895	0.5
132.08080	2.1
133.10092	0.7
134.09654	8.3
135.10533	0.6
136.11217	1.3
145.06476	0.6
146.09637	2.3
147.10400	1.5
147.11563	0.7
148.11235	2.5
157.63686	0.5
162.12695	0.6
164.14349	2.4
167.07001	0.7
173.05975	0.5
174.08432	0.6
175.07597	0.7
177.15245	0.6
180.17467	3.4
189.93011	0.4
191.10551	0.6
192.17477	100.0
193.17842	1.6
198.42769	0.5
217.15878	1.0
218.11024	1.3
218.19032	34.5
219.19354	0.8
220.07466	1.1
235.07634	0.5
235.09671	2.1
235.13292	0.6
235.16957	1.9
235.21721	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	236.1645
Annotation	Huperzine W
Peak:m/z	Relative Intensity
55.01869	1.5
55.05524	0.2
69.07063	0.2
71.16683	0.2
80.05003	0.3
82.06594	0.3
91.05473	0.2
93.07015	0.5
94.06576	0.3
96.08131	0.7
97.06522	0.2
106.06523	0.4
107.08549	0.2
108.08122	0.7
120.08076	1.0
122.09680	0.4
124.11233	1.6
125.06011	1.1
134.09627	0.4
136.11221	0.7
137.12013	0.9
145.10123	0.2
148.11179	0.9
149.11935	0.2
150.09209	0.2
160.37006	0.2
162.09105	0.4
162.12785	6.1
163.13554	0.2
164.10672	0.4
175.13593	0.2
176.10706	0.5
190.15886	0.4
194.11705	0.5
203.30522	0.2
208.16949	0.5
218.15433	0.3
236.16447	100.0
237.16792	1.5
248.25688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41444	0.2
55.01868	1.4
55.05511	0.3
62.31016	0.1
63.63214	0.2
69.07066	0.3
70.95776	0.3
73.94401	0.2
79.05465	0.3
80.04994	0.2
82.06565	0.2
91.05482	0.3
93.07020	0.6
94.06578	0.2
96.08133	0.8
97.06511	0.5
106.06551	0.5
108.08124	0.8
117.06995	0.2
120.08109	1.2
122.09679	0.6
124.11224	1.5
125.06007	1.0
134.09683	0.4
135.10429	0.3
136.11209	1.0
137.12019	1.1
138.12852	0.3
142.04959	0.2
148.11218	1.5
149.11967	0.2
150.09132	0.2
152.50081	0.2
162.09114	0.2
162.12788	7.4
163.13474	0.3
164.10716	0.3
176.10684	0.8
182.11798	0.2
190.15840	0.5
194.11755	0.3
208.16974	0.5
218.15356	0.4
236.16446	100.0
237.16753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.9563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.8
60.04524	4.4
70.06591	8.3
70.59086	3.3
70.59419	5.2
83.92032	2.5
84.08135	3.6
84.98057	3.0
94.93003	10.0
103.21115	3.1
132.77028	3.2
138.05519	5.7
156.93173	2.8
236.95618	100.0
255.01389	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	236.9562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98425	2.2
69.41580	9.0
80.21069	1.7
85.33335	1.9
94.93000	16.1
164.95398	2.4
200.22452	2.1
236.95610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
56.96567	17.1
58.99871	5.6
59.04989	1.2
60.95838	1.4
61.02953	1.5
69.03428	1.7
70.06582	2.3
71.01354	15.9
71.49697	1.3
71.91798	1.2
72.08154	4.2
73.70216	1.2
74.02442	5.1
75.04488	4.6
77.00901	2.7
81.03409	1.8
82.01436	6.1
84.04517	1.4
84.08134	2.9
85.02913	2.2
97.02874	1.9
98.09676	1.5
98.97585	11.4
99.00792	1.2
99.04452	1.9
100.02489	16.0
101.00885	2.2
103.03947	5.0
103.67105	1.1
109.02902	1.2
111.00849	1.7
111.08015	1.3
113.02434	1.3
116.98618	5.1
117.01878	1.7
117.77608	1.4
118.03514	7.0
119.01932	4.6
120.08096	2.9
127.00327	1.3
127.02415	6.0
128.04950	2.3
129.04012	1.5
131.03415	14.0
133.01418	1.3
134.99649	3.4
137.02957	2.1
140.10703	1.2
141.00061	2.6
142.03552	2.3
145.03468	52.5
145.04863	3.5
146.06009	68.6
147.04999	1.8
148.03912	1.3
150.04007	3.1
155.00162	2.7
157.04973	4.2
159.02898	30.6
163.04536	21.9
168.05078	58.1
169.05182	1.2
170.06616	2.5
172.44353	1.3
173.01233	8.4
173.02969	3.2
173.04489	1.8
177.00737	1.8
186.06123	18.4
191.02284	13.1
191.04018	22.0
191.05612	2.3
194.11848	1.2
195.01585	1.6
196.04539	25.2
198.39426	1.1
209.03310	5.4
209.05151	3.9
210.00526	1.6
212.00139	1.2
214.03911	3.7
214.05614	100.0
215.03952	1.8
215.05859	1.9
219.01871	1.7
219.05115	3.2
219.07558	1.4
232.04495	1.4
232.06686	19.0
236.95711	1.3
237.08870	2.2
237.12436	4.0
237.15971	12.8
238.14340	3.0
245.04749	1.3
250.25510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1233
Annotation	ALANYL-dl-PHENYLALANINE
Peak:m/z	Relative Intensity
55.63940	0.5
56.96573	1.2
57.10126	0.5
61.18121	0.4
69.58945	1.9
70.06599	0.6
74.02441	0.7
84.08134	0.9
86.53200	0.5
91.05498	0.5
93.07009	0.9
98.97586	0.9
103.05450	2.9
107.04940	1.2
109.02833	0.5
109.51569	0.5
116.98619	0.5
118.06565	0.5
120.08103	100.0
121.08470	0.8
129.10216	0.6
131.04918	1.6
136.07614	0.7
137.07327	0.5
146.06000	10.4
149.05995	1.8
154.94223	0.8
156.92535	0.5
160.99846	0.5
161.01244	0.5
165.23555	0.5
166.08630	72.7
172.95351	0.7
174.05550	0.7
191.11797	5.1
236.98564	1.9
237.08853	0.7
237.12233	5.1
237.16675	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03922	0.7
55.01870	1.2
55.05513	6.3
57.03423	1.1
57.07059	1.9
59.05002	7.4
67.05508	14.5
69.03426	2.0
69.07076	4.8
71.04996	18.2
77.03923	0.9
79.05508	8.7
81.07060	76.8
83.05000	1.5
83.08618	3.2
85.06537	2.6
91.05480	8.1
93.07049	100.0
94.07377	0.9
95.04982	4.1
95.08610	25.8
97.06519	3.5
99.08121	5.0
105.04526	1.0
105.07030	18.3
107.08598	19.7
109.06526	3.8
109.10164	15.1
111.08092	2.4
113.06012	6.3
113.09660	1.1
115.07580	4.6
117.06956	0.8
119.08590	16.0
121.06557	1.1
121.10153	9.8
123.08092	2.5
123.11710	48.4
125.09647	3.2
127.07549	2.5
127.11179	3.7
131.08594	3.2
133.10135	32.9
135.08041	1.4
135.11699	8.5
137.09634	1.3
139.11177	1.4
143.10681	1.5
145.10121	6.1
147.11687	10.6
149.06018	2.9
149.09641	2.3
149.13219	4.2
151.11191	30.2
155.10703	1.7
159.11681	6.6
161.06004	1.8
161.13252	4.9
163.11240	2.7
165.12773	1.6
173.13275	3.9
175.14862	2.4
177.12790	2.5
177.16374	1.2
181.12172	0.9
191.14355	3.2
191.17972	4.6
195.17468	1.6
197.18657	0.8
201.09129	1.3
201.16373	10.3
219.10214	1.4
219.17458	30.9
237.11137	4.5
237.16801	2.6
237.18594	27.6
250.12070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04178	2.1
57.98166	2.1
61.72839	1.9
61.76377	1.9
70.45224	2.4
70.45537	2.1
80.72208	2.3
94.93020	46.1
128.77457	2.1
171.20280	2.1
183.92490	2.4
219.97733	28.6
219.99734	3.9
220.96100	8.7
237.96356	4.8
237.98781	100.0
238.99107	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	238.1803
Annotation	Piroctone
Peak:m/z	Relative Intensity
55.01867	0.6
55.05521	0.2
56.44247	0.1
67.05505	0.7
69.03443	0.6
69.07063	0.2
70.05225	0.1
70.05560	0.2
70.06599	0.3
71.05008	0.2
79.05489	0.4
80.05010	0.2
81.07043	0.5
82.06578	0.1
84.08149	0.1
91.05473	0.2
93.07047	0.3
94.06557	0.2
95.04943	0.1
95.08601	0.6
96.08142	0.4
96.63758	0.1
97.06538	0.3
98.09695	1.2
102.46376	0.1
105.07053	0.2
106.06573	0.3
106.93744	0.1
106.95140	0.1
107.08590	0.2
108.08077	0.2
109.06548	0.1
109.10149	0.3
110.09664	0.4
119.08600	0.1
120.48950	0.1
122.09687	0.3
124.11237	0.3
125.05972	0.5
126.01070	0.2
126.09186	0.1
128.07089	0.1
133.10197	0.1
136.11200	0.6
138.09138	0.1
138.12781	1.2
147.11749	0.1
148.11201	0.2
150.09149	0.5
150.12784	0.4
151.13579	0.3
162.12852	0.2
164.14357	19.1
165.14651	0.2
168.10222	0.2
168.13847	0.2
180.13817	0.3
192.06531	0.3
192.17381	0.6
196.91876	0.1
209.05994	0.1
210.14928	0.6
210.18532	0.8
220.16949	0.7
234.18521	0.1
236.16452	0.3
238.18013	100.0
239.08897	0.4
239.18425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	19.6
58.73199	5.0
69.64266	15.8
85.02917	9.3
88.91733	4.1
94.93010	21.1
104.73450	6.2
136.20139	4.5
150.48260	5.1
155.00142	8.2
173.01205	8.6
175.04535	7.3
185.01147	4.8
191.02281	6.2
193.09613	5.5
215.71017	4.8
220.96158	100.0
220.98145	8.9
238.95355	17.7
238.97453	42.9
239.77338	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	240.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	100.0
58.06590	0.5
58.30816	0.4
67.78616	0.4
69.77051	1.4
70.82983	0.4
71.95261	0.4
74.97617	0.6
79.28806	0.4
79.38614	0.4
80.16917	0.4
83.89924	0.3
84.08170	1.1
85.02930	0.4
97.99222	0.6
98.97578	3.9
108.99666	0.5
116.98637	1.6
124.99114	4.3
127.00703	6.5
136.99094	12.5
142.08617	0.5
143.00166	6.4
145.01732	3.9
155.00160	50.7
161.01215	4.1
170.99655	2.4
173.01228	59.1
174.01584	1.1
187.38232	0.4
189.00725	4.4
191.02277	33.1
192.02684	0.8
194.11754	0.8
198.99133	1.6
207.01767	1.6
209.03329	12.2
217.00200	24.6
228.84946	0.4
231.33122	0.4
235.01260	44.2
239.08363	0.4
240.01711	0.7
240.12260	0.7
240.15956	4.0
241.15411	1.7
253.02292	3.4
258.02826	0.6
258.99762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.26050	0.6
56.96569	100.0
58.06596	0.7
69.76472	1.1
70.06546	0.5
71.92079	0.4
85.02927	0.7
85.06529	0.7
100.02512	1.2
103.00658	0.7
104.07854	0.5
104.10761	1.4
109.71883	0.6
124.99149	3.9
127.00710	5.9
129.03995	1.3
133.91396	0.7
136.99109	10.8
142.12328	2.0
143.00185	5.5
145.01720	2.8
155.00160	41.3
157.03517	1.2
161.01231	3.9
170.99745	1.8
171.05083	1.2
173.01230	57.0
175.04585	1.3
178.01895	0.7
182.06726	0.7
186.19585	0.6
189.00648	3.3
189.06200	0.7
191.02280	32.3
196.02899	1.1
196.09724	0.8
196.81367	0.6
198.06245	2.0
198.99193	1.1
199.04582	1.4
207.01785	2.6
209.03331	15.6
209.05132	0.9
210.03838	0.6
217.00223	21.4
217.02272	1.1
217.05692	1.8
221.96548	1.7
235.01256	45.2
239.95656	0.8
239.97816	0.7
240.08852	1.4
240.12407	1.1
240.15935	3.1
241.15489	3.7
253.02411	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09183	0.6
55.05511	8.6
56.96566	5.6
57.03461	0.7
58.27357	0.5
67.05041	0.5
67.05500	1.0
68.05038	1.3
69.03430	14.7
70.06601	3.9
71.05000	1.2
75.46912	0.5
80.05003	0.6
81.03413	0.7
81.07053	2.3
82.06618	0.7
84.04507	2.9
85.02911	1.4
85.06549	27.3
86.06059	2.6
87.08116	1.2
91.05502	1.1
93.07058	1.8
95.08589	1.0
96.04485	1.8
96.08161	0.9
98.06056	100.0
98.97588	2.4
109.06500	1.9
110.09692	0.7
111.08082	45.4
116.98640	1.7
120.08117	2.3
121.06498	2.3
122.09650	0.8
124.07607	4.6
127.03899	1.1
134.09647	3.7
135.10437	7.3
136.07567	1.1
138.12830	0.7
139.07533	3.7
142.08659	1.2
145.04974	1.0
148.07588	1.4
148.11176	0.7
150.12859	0.8
152.07098	0.9
166.08647	0.6
166.12296	0.9
173.01248	2.2
174.90082	0.7
176.10715	2.7
180.13835	1.2
190.12251	0.8
191.02316	2.2
192.91167	1.3
194.11755	15.2
196.13420	0.7
204.10243	2.6
208.13332	39.1
208.27795	0.5
222.11261	29.7
222.14905	2.5
234.92111	1.4
235.01337	1.9
240.09503	2.3
240.12317	48.8
240.15971	98.0
241.16397	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	240.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.96568	4.4
57.03429	0.2
69.03422	0.5
69.22008	0.1
69.87891	0.5
70.06592	0.8
71.05002	0.3
73.40073	0.1
81.03426	0.2
84.08141	0.4
85.02910	2.8
85.06512	0.5
91.05445	1.0
94.06544	0.2
96.08118	0.3
97.02884	0.6
98.97575	0.8
99.04469	0.2
108.08162	0.3
109.02884	0.3
110.09660	0.2
111.08074	0.6
116.98607	0.5
117.05743	0.6
118.06546	2.6
120.04457	0.2
120.08116	0.3
125.09615	0.2
126.06616	0.4
127.03927	0.4
134.09676	0.8
136.07571	1.0
136.99159	0.2
138.12727	0.8
142.12267	2.0
143.00128	0.3
145.04947	1.3
146.06007	13.7
148.11221	0.3
155.00139	1.1
162.09142	0.3
163.06021	0.2
164.07079	4.6
165.88138	0.2
166.05008	0.3
166.12233	0.8
167.09427	0.3
173.01215	1.6
178.08630	20.4
179.09016	0.2
180.10178	0.4
180.13898	0.3
181.07362	0.4
187.06128	0.2
190.08638	1.1
191.02255	1.2
194.08119	0.2
194.15393	0.4
196.09691	11.0
207.08910	0.3
208.09691	3.2
208.13298	1.2
209.03270	0.5
210.07642	0.6
217.00117	0.8
222.04329	0.9
222.11256	10.2
222.14560	1.3
223.57477	0.2
224.09230	0.4
225.09955	0.7
235.01280	1.5
240.12299	100.0
240.15813	10.8
241.12689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.79094	0.8
55.01865	1.9
55.05519	4.4
56.96569	36.0
57.03432	2.4
61.02929	6.5
69.03433	10.6
69.32107	1.5
69.32452	4.6
70.06593	23.8
71.04994	1.8
72.08145	1.2
72.90415	0.9
73.02930	2.2
73.06557	3.4
81.03419	1.6
83.13038	1.0
84.08141	3.7
85.02905	48.3
85.06541	1.3
87.04427	1.8
91.03953	3.8
95.08613	0.9
96.08134	2.9
97.02899	9.4
98.06068	1.0
98.97583	12.3
99.04436	3.0
109.02894	5.2
110.09689	2.5
111.08076	8.0
116.98635	6.9
120.08092	1.2
122.09663	2.0
125.09644	1.3
126.06654	1.7
127.03913	14.0
134.99661	3.3
136.99068	1.0
138.12794	4.9
142.08614	1.4
142.12277	77.6
143.00206	1.7
145.01755	1.9
145.04968	26.1
148.07532	1.3
148.11203	3.6
155.00172	7.4
161.01239	1.6
163.05997	9.0
163.20152	0.9
166.12315	5.6
173.01236	16.2
178.05379	1.1
178.15971	1.0
180.13777	2.4
189.00732	1.8
191.02313	10.0
194.11690	1.1
194.15456	3.1
207.01822	1.6
208.13332	13.3
209.03366	4.2
217.00313	5.3
222.04376	3.7
222.11424	1.0
222.14915	18.6
234.92175	1.1
235.01280	11.9
240.05379	2.5
240.12233	3.9
240.15941	100.0
241.16177	1.3
242.02438	1.0
253.02145	1.0
258.99695	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	240.1594
Annotation	Isoetharine
Peak:m/z	Relative Intensity
55.01860	0.8
55.05512	23.2
56.05030	1.9
62.73356	0.4
67.05509	5.3
69.03437	1.1
69.65430	1.7
70.06599	2.9
71.04967	1.1
71.07370	0.9
72.08157	1.7
73.06557	8.6
79.05479	1.6
81.07055	1.9
84.08142	13.4
87.72355	0.4
91.05470	0.7
93.07030	1.6
94.06567	4.9
95.04958	1.3
95.08604	13.6
97.08907	1.9
98.23540	0.6
102.09168	6.1
105.07021	5.2
107.08578	1.3
108.08133	0.6
109.06545	0.7
110.09679	11.1
117.05744	0.5
122.06033	1.9
122.09669	10.6
123.04408	5.5
123.08068	4.3
124.11246	0.7
125.09568	0.5
128.10695	0.9
132.08075	4.8
133.06488	4.3
134.09636	1.7
135.08072	1.2
146.34157	0.5
148.11195	1.0
150.09140	31.0
151.07527	8.2
152.10687	1.0
162.09198	0.5
168.10197	9.5
174.12788	0.6
176.14331	1.5
194.15395	0.7
195.65324	0.5
204.13824	1.8
222.14877	50.1
223.15202	0.9
232.28859	0.5
240.15933	100.0
241.16203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65821	0.2
54.98637	0.3
56.96567	11.9
57.50264	0.1
69.30242	0.7
71.02554	0.2
71.95269	1.0
78.73483	0.1
82.69759	0.1
92.49761	0.2
98.22749	0.2
98.97582	100.0
116.98619	51.2
119.01955	0.2
134.99657	14.6
140.00189	1.0
153.00710	0.8
158.01245	0.5
174.00760	0.1
174.97598	0.2
177.00833	0.4
192.01736	0.2
195.01672	0.2
216.98767	0.9
219.01915	0.6
234.99739	0.7
236.00070	0.2
240.98656	2.5
258.99762	33.1
259.99939	0.7
261.03238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1226
Annotation	(E)-3,4'-Dimethoxystilbene
Peak:m/z	Relative Intensity
57.07067	0.5
59.04990	0.6
64.87524	0.2
69.03424	0.2
69.41038	0.5
69.41441	0.3
71.08643	0.2
75.11979	0.1
88.07632	0.2
95.08590	0.3
98.97593	0.5
116.98627	0.3
141.06973	0.9
152.06203	0.3
153.06996	1.2
155.08537	0.4
165.06981	4.3
166.07774	5.7
167.08572	1.0
168.05658	0.3
169.06439	0.3
169.10072	0.1
171.08076	0.9
172.08727	0.2
178.07790	0.5
179.08553	0.5
180.09277	0.3
181.06580	1.2
181.10107	6.6
181.11714	0.3
182.07271	0.4
183.08058	7.5
183.11682	0.3
184.08675	0.2
185.09636	1.4
189.06961	0.7
190.07776	2.2
191.08557	5.6
193.10147	1.9
194.07272	17.6
195.08052	6.7
196.08809	1.9
197.09583	1.3
198.08533	0.3
198.10385	3.7
199.07532	0.2
199.11063	0.2
208.08833	1.6
209.09615	26.9
210.10382	10.3
211.07536	33.5
211.11131	2.6
212.07907	0.4
213.12749	0.7
223.11121	0.8
225.09126	2.4
226.09877	35.7
227.10196	0.5
229.13083	0.2
240.11505	0.2
240.23242	2.0
241.12222	100.0
241.23448	1.4
242.12616	1.9
262.21585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37311	0.2
56.96567	0.5
58.06599	11.4
60.08165	3.6
70.06606	1.7
70.64652	0.2
72.08170	0.3
84.08140	6.6
84.43668	0.2
85.06550	0.3
94.06566	0.5
98.06070	0.3
98.09697	0.8
98.92670	0.3
104.10741	100.0
105.11062	0.7
105.11737	0.2
114.05564	0.3
116.07109	0.4
118.03516	0.3
119.01958	0.4
120.33681	0.3
126.05512	0.3
128.10719	2.2
136.04567	0.4
144.10205	0.9
145.03476	0.9
152.07089	0.5
152.10667	0.4
163.04518	0.4
168.10187	1.0
170.06538	0.2
192.02626	0.3
196.09666	3.9
200.07664	0.3
218.08917	0.4
222.95905	0.4
236.01614	0.3
240.95293	2.0
241.15459	76.7
242.05124	0.3
242.15894	0.9
263.65063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.16866	0.2
52.51942	0.2
56.96572	1.2
58.06603	15.4
67.52316	0.2
69.96486	0.2
69.96821	0.6
70.06593	2.2
71.04951	0.2
72.08160	2.8
73.08466	0.2
81.03413	0.6
84.08145	7.7
85.06567	0.2
97.02870	0.4
98.06062	0.3
98.09698	1.1
98.97588	7.7
100.11257	0.4
102.93552	0.2
116.07034	0.2
116.10736	0.3
116.98627	3.2
117.69933	0.2
124.07657	0.2
126.05550	0.3
126.09147	0.3
128.10732	3.0
129.03987	0.3
134.99675	0.9
136.65796	0.2
143.12659	0.2
144.10146	1.2
145.03503	0.4
152.10707	0.7
156.05037	0.2
168.10199	0.8
170.06830	0.2
170.11765	0.6
172.04491	0.2
182.03027	0.2
191.02121	0.2
196.09680	4.8
196.11339	0.4
199.07452	0.8
200.04022	0.4
213.16016	0.6
217.08649	0.6
224.16403	0.4
236.01752	0.2
241.15468	100.0
242.05013	0.3
242.15659	1.5
242.17892	0.3
258.99750	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	242.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	49.0
70.61205	0.9
71.11731	0.6
72.96051	1.3
84.96025	1.8
90.50056	0.6
98.97582	2.5
106.98043	0.7
108.99644	1.2
109.51659	0.7
110.97624	0.7
116.98622	1.1
124.99097	0.9
127.00693	5.1
129.02242	1.6
139.00667	2.5
142.12228	0.7
143.12669	1.4
145.01704	1.9
147.03210	0.9
150.91074	0.7
152.10759	1.0
155.00153	38.6
157.01720	7.3
173.01224	100.0
175.02788	11.3
182.11778	0.9
182.99609	3.0
191.02274	62.1
193.03812	2.9
196.02885	3.4
196.04399	0.6
201.00699	18.3
209.03325	2.8
214.03879	2.8
219.01768	80.9
237.02826	38.5
237.05301	1.5
239.03343	0.9
241.15950	1.1
242.03345	3.5
242.13911	0.8
242.17511	5.6
255.04027	1.0
260.04413	1.1
263.39630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74831	0.5
54.92526	0.6
56.96567	49.4
57.03461	0.7
58.06604	2.1
58.99877	1.3
69.03436	0.8
69.66479	2.4
70.06622	0.8
71.95279	0.7
72.96060	1.2
74.97611	0.6
79.63271	0.5
82.01447	2.1
84.08160	0.8
84.96037	1.8
85.02911	1.8
93.07091	0.6
97.02868	0.7
98.06039	0.7
98.22814	0.8
98.97574	1.2
100.02485	4.6
101.00854	1.6
101.02407	0.6
104.10746	5.9
108.99648	0.9
110.97609	0.9
115.03927	0.9
116.98623	0.8
118.03512	3.9
119.01947	2.7
124.99137	1.1
127.00689	5.0
127.02431	1.3
129.02272	0.7
129.03973	1.7
136.04549	1.2
136.99002	0.7
139.00679	2.8
143.03395	0.7
145.01709	2.0
145.03474	5.9
145.04892	0.9
147.05051	1.4
150.04025	0.6
152.05609	1.0
155.00157	36.1
157.01715	6.3
157.02922	0.8
163.04527	1.8
165.71144	0.7
168.05104	4.6
170.06606	3.2
173.01227	100.0
174.07692	0.5
175.01524	0.8
175.02824	10.2
177.04173	0.7
179.65631	0.6
180.05083	1.5
182.99673	2.5
186.06126	2.0
188.07625	3.5
189.03957	2.3
191.02274	59.1
193.03874	2.3
196.02802	2.8
196.04532	1.5
198.06148	1.5
200.05849	0.6
201.00697	18.9
201.02303	0.9
209.03352	3.0
214.03835	2.3
214.05669	3.6
215.03963	1.8
216.07182	0.8
219.01759	87.1
220.02063	0.9
224.04041	2.6
232.06741	2.8
233.04997	0.9
237.02820	41.1
241.15437	10.5
242.03221	2.4
242.05348	5.3
242.13811	2.4
242.15831	4.2
242.17827	1.1
255.04007	0.7
260.04208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09419	0.7
52.18116	0.7
54.29917	0.6
55.01867	7.6
56.96566	23.4
57.03437	13.0
58.06609	1.1
58.51782	0.6
58.99852	1.5
59.04986	2.5
61.02921	1.6
69.03431	1.7
70.45586	0.7
71.01358	6.5
71.04980	2.6
71.45140	0.8
72.08186	0.7
73.02918	7.8
78.88419	0.6
82.01424	1.7
83.01330	2.4
84.08138	0.8
84.86661	0.7
84.95993	0.7
85.02911	7.6
85.51884	0.7
87.04469	8.2
89.02392	8.1
93.75970	0.7
95.01296	1.0
97.02898	1.1
98.97565	5.8
99.97845	0.7
100.02473	4.0
101.00887	1.2
101.02374	21.4
101.62059	0.8
103.03947	2.5
104.10789	0.9
104.80719	0.7
110.06039	2.2
111.00797	1.8
113.02393	1.3
115.03925	35.4
116.98602	3.6
118.03506	6.5
119.01914	3.5
119.03436	0.9
127.00683	2.2
127.02419	1.2
127.03914	2.0
129.01830	33.5
129.03979	2.1
133.04968	4.6
134.99641	1.1
136.04553	3.3
137.02979	1.4
141.01836	1.6
143.03395	17.5
145.01756	1.4
145.03462	7.5
145.04922	2.7
147.02919	1.5
147.05057	1.7
152.05524	1.0
152.10672	1.0
155.00134	9.8
157.01323	35.5
158.99704	0.7
159.02852	2.2
160.36494	0.7
161.04446	26.5
163.04504	3.0
163.05815	1.4
168.05080	4.2
170.06662	4.8
171.02887	5.5
173.01219	34.6
175.02744	6.5
177.00908	1.3
180.05115	1.6
182.99736	0.9
186.06093	2.7
188.07655	2.5
189.03935	100.0
191.02278	31.5
191.03946	2.4
193.03809	1.6
196.02882	0.8
196.04562	2.3
196.09612	0.7
198.06128	1.3
201.00722	6.2
207.04970	8.0
209.03278	2.0
209.05116	1.4
214.03893	1.0
214.05690	5.2
215.03969	1.9
216.07187	1.1
219.01759	36.9
219.03407	1.5
219.08774	0.9
224.04039	2.2
224.07628	3.0
225.06126	0.8
232.06706	3.3
237.02821	16.3
237.04614	0.7
242.02985	1.1
242.05266	7.2
242.13625	3.7
242.15736	5.3
242.17914	1.0
248.96831	0.7
260.00070	1.0
260.06256	0.8
261.02939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
55.40424	0.4
56.96556	0.9
57.04558	0.9
60.27818	0.4
69.03419	0.8
70.06589	1.7
70.77141	0.5
71.04988	2.2
72.08160	2.0
74.07188	0.5
79.05506	0.5
81.03426	0.5
81.07050	0.5
82.06562	0.6
84.04500	2.8
84.08150	1.4
85.08463	0.5
86.09700	4.1
88.07658	0.6
94.06518	0.4
95.08572	0.8
96.08112	1.4
97.02877	0.6
97.08888	0.8
98.97585	1.8
101.09541	0.6
110.09672	0.5
112.03735	6.0
112.38903	0.4
116.98598	1.6
122.09667	0.5
123.04388	0.5
123.08108	0.6
124.11231	1.8
125.09654	2.3
132.10280	0.6
134.99715	0.8
144.11349	1.2
150.09164	1.8
151.07553	1.3
152.07124	0.6
152.10732	5.0
153.05223	4.3
153.09132	1.6
164.10690	1.0
168.10179	1.1
170.11768	1.8
171.06349	0.8
176.94479	0.5
182.11768	2.5
183.71750	0.4
186.11208	0.8
194.08047	0.5
196.09702	1.5
196.13281	0.5
196.17018	0.5
197.12961	0.8
201.48616	0.4
224.08946	6.4
224.16440	2.0
241.16174	0.5
242.10004	100.0
242.14015	7.3
242.14925	7.0
242.17491	16.7
243.10326	1.2
243.13194	0.6
243.18060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1751
Annotation	Valeroidine
Peak:m/z	Relative Intensity
53.24891	0.2
55.05510	9.8
56.05043	0.3
56.96573	2.5
58.06594	0.9
58.99860	0.6
59.06914	0.4
63.45306	0.3
69.03427	3.2
70.06592	1.9
70.65647	0.6
71.04980	0.5
71.06916	0.4
72.08152	1.2
72.93806	0.3
73.06556	3.8
79.05507	0.5
80.50277	0.3
81.07076	0.4
82.01427	0.6
82.06580	1.4
83.01344	0.4
83.07367	0.3
84.08147	2.1
85.08486	0.3
86.09692	0.4
93.07009	0.3
96.08129	14.5
97.02847	0.5
97.06506	0.4
97.08948	0.4
98.06065	0.5
98.09677	0.3
98.22804	0.4
98.97581	4.6
99.04469	0.3
99.97915	0.4
100.02481	1.9
101.00875	0.5
107.08603	0.4
110.07159	0.3
110.09692	0.5
116.98620	3.7
118.03525	1.7
119.01934	1.6
122.09734	0.3
124.07585	0.6
124.11234	13.8
125.05984	0.3
125.09644	2.0
126.06643	0.3
129.04021	0.8
129.05695	0.3
130.04181	0.3
131.30711	0.3
134.99669	1.3
136.04561	0.7
137.02954	0.4
142.12306	1.6
143.12617	1.0
144.12881	0.6
145.03465	2.1
147.05020	1.0
152.10703	34.6
153.09180	0.5
153.11073	0.5
154.01826	0.3
154.12198	0.4
155.00192	0.3
157.03499	0.3
163.04507	1.0
168.05055	1.4
168.10226	0.8
168.13841	9.5
170.06693	1.3
170.11758	16.4
171.12042	0.3
172.02834	0.4
173.01239	1.1
177.00941	1.0
180.05124	0.7
182.11775	3.8
186.06133	0.5
188.07727	1.1
191.02306	1.3
191.04063	0.9
196.04546	0.8
196.09677	1.1
196.17001	1.1
197.10242	0.3
198.06126	1.2
201.00775	0.5
201.02452	0.4
201.04135	0.5
203.21754	0.3
214.05614	1.3
215.04050	0.9
216.07291	0.6
216.24933	0.3
219.01801	2.9
219.03522	0.6
224.03979	0.6
224.16444	6.8
232.06763	0.9
234.79532	0.3
237.02794	0.9
242.05220	1.8
242.10574	2.2
242.13643	3.0
242.17540	100.0
243.17921	1.4
259.99945	1.4
261.03040	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	242.2843
Annotation	1-Hexadecylamine
Peak:m/z	Relative Intensity
56.31478	0.2
57.07073	2.2
58.06604	1.7
65.15393	0.3
69.79970	0.4
69.80344	0.4
72.08134	0.5
74.09721	0.9
76.31815	0.3
86.09689	0.4
98.22765	0.6
100.11259	12.7
100.88097	0.2
116.68301	0.3
128.14360	1.3
130.15918	3.8
142.15912	35.3
170.44907	0.3
184.20630	5.1
186.22171	11.9
242.09244	0.3
242.28423	100.0
243.10086	0.4
243.28705	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70689	0.1
53.44883	0.1
56.96560	0.6
69.81347	0.2
71.16568	0.1
74.37211	0.1
77.44665	0.1
82.99792	0.5
84.71366	0.1
90.97417	0.1
94.21738	0.1
96.90021	0.1
98.22742	0.1
98.97576	3.1
99.97917	0.1
100.86549	0.1
100.97196	0.1
100.97999	0.1
101.00875	5.2
102.01008	0.1
113.39306	0.1
116.98620	1.9
117.98903	0.1
119.01913	11.5
120.02023	0.2
122.97805	0.1
134.99777	1.1
137.02951	1.7
140.98799	0.8
142.03545	0.2
150.03520	0.1
153.00909	0.2
157.01932	0.1
158.01335	0.1
158.99883	3.2
160.00000	0.1
160.04521	0.1
161.07028	0.1
164.70055	0.1
165.99690	0.2
175.03015	0.4
177.00940	22.7
178.01051	1.1
179.01349	0.2
182.99792	0.8
193.04099	0.2
195.01990	0.3
199.03001	0.3
200.02527	0.2
201.00920	2.5
202.01024	0.2
209.98453	0.1
217.04071	3.4
218.04179	0.1
219.01994	25.9
220.02107	2.0
221.00645	0.1
221.02242	0.2
224.98634	0.1
225.00851	2.3
225.70227	0.1
226.01105	0.1
227.99644	0.1
231.08037	0.1
234.00644	0.3
236.99698	0.1
242.03587	0.2
243.01967	12.1
244.02171	0.5
261.03036	100.0
262.03168	4.0
263.03467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.57705	0.9
53.03949	1.2
55.01873	1.5
55.05488	1.2
56.96564	1.6
58.29055	0.9
61.02929	9.9
62.27150	0.9
65.03942	9.4
67.05514	5.4
69.03404	1.7
70.00721	2.5
70.06589	2.0
71.05011	1.1
72.08146	1.7
77.03925	2.0
79.05505	4.2
81.07064	3.2
82.04206	1.9
84.04517	1.0
84.08157	1.9
85.02916	3.7
86.09669	1.5
91.05481	71.8
93.03436	3.1
95.04970	18.4
95.08588	1.6
97.06531	2.5
98.97591	3.0
99.04465	3.0
100.23950	1.1
103.05506	1.1
105.03394	43.5
105.04522	3.3
107.04982	6.6
108.02149	1.5
109.06516	12.5
110.03676	3.6
111.04461	2.7
115.71296	1.2
116.07043	1.5
116.98569	1.4
119.04922	6.3
121.06596	1.1
122.03645	1.5
123.04440	15.5
125.02371	6.0
125.06001	3.9
133.02849	12.8
134.99628	1.3
135.04424	6.0
137.02304	1.3
137.05974	28.8
138.03146	1.6
140.04684	100.0
141.05478	1.2
142.02638	1.4
147.04422	7.2
151.03923	12.8
152.04694	3.7
153.05437	6.7
154.09526	1.5
155.07030	85.3
156.07565	1.3
163.03963	2.7
165.05487	19.4
167.07069	2.0
169.08633	1.6
169.54745	1.2
171.06517	5.5
173.08153	5.7
179.07030	10.0
180.04172	15.8
181.04959	69.5
183.06577	2.7
192.04280	1.1
193.04973	24.3
195.06534	13.3
197.08092	14.4
197.09671	1.6
197.12866	1.5
201.00671	1.4
207.06531	27.6
225.07526	21.4
243.08540	12.1
243.10312	10.3
243.17860	7.6
261.02829	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	243.1382
Annotation	3,5-Dimethoxybibenzyl
Peak:m/z	Relative Intensity
65.03936	1.7
67.05506	1.4
69.07076	2.3
71.45766	1.2
72.95493	1.2
74.30094	1.2
79.05494	2.6
81.07070	3.5
91.05482	100.0
93.07029	2.2
95.08588	1.4
98.97596	1.5
99.04442	1.3
102.61758	1.4
105.07031	41.6
109.06498	2.2
111.08076	5.9
113.06027	1.5
115.05482	2.4
117.07024	3.6
119.08590	1.4
121.06497	3.9
123.08090	2.6
127.49283	1.1
128.06276	1.4
129.07013	5.0
131.08572	19.8
141.06996	11.1
143.08569	7.4
145.10109	1.1
155.08551	18.2
157.10213	1.9
167.08551	1.2
169.10136	3.3
171.08109	6.0
171.11649	2.5
181.10156	4.8
183.08101	1.4
183.11713	5.2
187.12247	1.2
188.61732	1.1
192.09369	5.3
197.09619	1.9
197.13254	46.4
199.11079	2.3
201.12691	5.8
207.11697	5.4
215.14311	6.6
225.12730	14.5
243.10175	2.0
243.13870	22.2
243.17981	1.3
252.10861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.138
Annotation	3,5-Dimethoxybibenzyl
Peak:m/z	Relative Intensity
50.71533	0.5
63.13570	0.5
67.05523	0.5
69.44857	2.4
77.03928	0.6
78.04723	0.5
79.05499	5.3
81.07051	1.0
91.04950	0.6
91.05489	9.0
95.04972	1.3
95.08598	0.6
95.70142	0.5
98.97575	1.0
103.05473	3.5
105.07033	100.0
106.07338	1.2
108.65543	0.4
109.06525	0.7
121.06506	1.7
123.08054	0.7
123.11703	0.6
131.08571	2.4
137.09616	0.9
141.07036	0.9
147.08072	0.6
151.07562	5.5
155.08563	1.5
165.09120	9.6
169.10242	0.5
171.65607	0.4
180.54167	0.5
192.09361	0.6
197.13319	1.8
201.12723	0.5
207.11725	0.5
225.12685	2.3
243.13814	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03943	6.3
55.01863	4.8
55.05514	28.3
56.96549	3.5
57.03429	5.6
57.23570	2.9
59.05008	3.5
61.02917	3.9
67.05499	16.1
69.03429	35.3
69.07062	11.6
69.10128	19.7
71.04989	13.3
75.04483	4.4
79.05486	16.1
81.03414	5.3
81.07045	24.1
83.04981	29.5
83.08595	5.3
84.08126	4.7
85.02900	8.8
85.06535	11.6
90.57494	3.6
91.05479	23.7
93.07046	18.8
95.04959	42.7
95.08597	27.9
97.02879	6.9
97.06512	12.6
98.97562	5.1
99.04482	25.0
99.08086	7.5
101.06011	6.7
102.09192	15.0
105.03391	5.4
105.07023	22.8
107.07923	5.0
107.08599	50.0
109.02828	3.3
109.06534	18.0
109.10156	18.3
111.08072	25.0
113.05989	7.9
115.03909	3.7
115.05472	3.4
119.08566	26.9
121.06495	4.9
121.10134	23.4
123.04449	4.2
123.08052	23.5
123.11693	11.9
125.09637	77.5
126.01042	5.0
131.08557	4.5
133.10100	10.9
135.08026	31.0
135.11678	19.4
137.05997	3.5
137.09583	20.0
137.13255	4.1
139.07471	7.2
140.04692	4.4
141.09085	8.6
147.08043	6.1
147.11707	23.8
149.09639	15.1
149.13287	10.5
151.07555	11.7
151.11108	4.9
153.09091	6.4
155.06978	7.3
159.11688	4.7
161.09645	4.0
161.13245	14.5
165.09015	3.3
165.12779	10.2
167.10680	9.8
169.08643	17.0
177.12730	19.3
179.07004	3.4
182.05380	4.6
189.12743	11.9
195.13809	45.7
197.08037	11.4
207.13814	39.6
213.14787	6.0
225.07652	4.8
225.14828	100.0
243.06360	3.6
243.10320	4.4
243.15881	14.1
243.17929	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	243.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.7
60.07875	0.2
60.08166	3.6
69.16390	1.1
73.02298	0.1
78.97210	0.2
79.24000	0.1
81.65970	0.1
87.20355	0.2
98.22758	0.3
104.10742	100.0
105.11083	0.7
176.93593	0.4
192.39838	0.2
198.75172	0.2
224.95563	0.3
242.96741	0.4
243.07507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14843	0.6
55.05517	2.2
57.07075	10.3
65.85726	0.6
67.05507	2.2
69.07070	1.3
71.08630	14.6
71.43974	0.6
72.08154	99.2
73.08469	0.7
73.85225	0.7
74.43542	0.8
79.05502	0.8
81.07060	7.3
85.10185	8.3
88.07599	0.7
89.10788	3.1
92.85795	0.8
95.08614	10.1
98.97587	1.8
126.59526	0.7
137.13251	1.7
155.14310	19.8
172.16982	4.3
184.16882	0.8
226.21652	100.0
227.21991	1.9
243.24316	85.1
244.24562	1.2
263.95862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
54.24169	0.6
55.05524	0.7
56.96573	1.2
58.99870	1.5
64.30895	0.6
69.68741	1.9
69.69085	1.0
71.04994	12.2
72.16909	0.5
74.64906	0.6
77.29697	0.6
78.25778	0.5
79.32619	0.6
81.03409	1.6
82.99875	2.5
83.69128	0.5
85.86266	0.6
94.81287	0.6
99.04459	18.4
100.07618	0.7
101.00880	17.5
103.00650	1.0
103.02418	1.1
104.10747	9.2
104.11385	1.0
111.02955	3.9
112.05114	1.2
113.04565	0.6
113.05386	0.8
119.01920	24.5
121.01679	2.3
129.03970	12.9
131.05550	2.6
137.02956	3.2
139.02483	1.5
143.01918	1.1
147.05013	5.5
149.06631	1.5
153.03979	7.3
155.01837	1.0
157.03465	13.5
159.05087	1.0
161.02956	1.9
171.05031	59.1
172.05150	1.5
173.03055	1.2
173.06604	1.0
175.04524	38.2
176.04613	0.8
177.00601	0.7
177.06122	1.0
181.03516	1.5
183.05121	0.7
185.02982	1.6
189.04510	0.4
189.06090	11.4
189.07706	0.5
193.05583	8.2
194.06784	1.0
199.04517	53.2
200.04709	1.6
203.03951	1.3
217.05573	100.0
218.05704	3.2
227.03894	6.5
227.05565	0.7
235.06647	1.7
240.07210	1.5
245.05052	87.6
246.05254	2.4
261.02209	0.6
263.06125	18.7
268.06659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25103	0.2
56.05025	0.3
69.07072	10.2
69.25254	0.6
69.25657	1.1
77.11756	0.3
86.09710	100.0
87.10060	0.5
107.97043	0.3
113.59572	0.3
132.10233	1.9
143.60553	0.3
181.24991	0.3
199.17941	0.3
207.67445	0.3
242.31120	0.3
245.18623	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	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55887	0.2
57.85546	0.2
58.45899	0.2
62.32925	0.2
69.07064	1.0
70.60417	0.4
86.09702	100.0
87.10045	0.5
132.10202	2.8
185.62451	0.2
199.17999	1.7
219.65453	0.2
227.17581	0.3
245.04442	0.4
245.13574	0.8
245.18623	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	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
56.05032	0.3
57.05819	0.3
58.06595	0.2
59.70458	0.1
63.16251	0.2
67.05499	0.2
69.07067	9.9
69.42117	0.6
83.04971	0.2
84.08152	0.2
85.02888	0.2
86.09705	100.0
87.10036	0.6
91.05542	0.2
95.08630	0.2
97.02842	0.2
100.47948	0.2
106.66409	0.2
132.10184	1.7
149.09564	0.2
191.10686	0.2
199.18066	0.9
209.11803	0.2
245.04433	1.1
245.18596	5.3
253.54893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42662	0.2
55.05506	0.7
59.99313	0.2
69.03430	0.4
69.07040	0.4
69.69972	0.8
78.32820	0.2
81.27888	0.2
83.04976	0.9
84.93842	0.2
85.02892	0.2
86.09707	100.0
87.10045	0.6
97.02908	0.4
98.22736	0.3
105.05527	0.4
107.55055	0.2
109.02909	0.2
109.43392	0.2
110.99754	0.2
122.98400	0.2
125.05993	0.2
127.03889	0.3
132.10207	3.1
179.96263	0.2
199.18056	1.6
245.13724	2.0
245.18643	6.5
246.18677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1814
Annotation	Valyllysine
Peak:m/z	Relative Intensity
55.05516	0.6
55.28679	0.5
55.56740	0.5
56.05035	0.8
58.06602	20.3
59.07390	3.0
60.05636	1.5
60.08162	5.3
70.06606	6.9
70.30434	0.6
70.88299	0.8
72.08154	0.7
82.06567	3.7
84.08138	9.0
85.05285	2.8
85.06513	0.7
91.56578	0.6
98.09706	1.7
99.09225	0.7
100.07623	78.0
110.06046	0.8
111.07075	0.5
114.06635	0.8
116.07082	0.7
117.10262	39.3
118.08669	7.0
120.63993	0.6
124.07585	1.1
127.08690	1.3
128.07082	1.9
130.08591	0.7
142.08646	0.8
152.07111	0.8
158.09203	1.1
169.09686	2.2
170.08099	1.6
175.11873	2.5
187.10706	1.4
228.17113	1.4
229.12955	0.9
229.15358	0.9
245.95445	1.2
246.15688	8.7
246.18121	100.0
247.18565	1.2
260.88437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.0
69.95123	0.6
71.05183	0.6
71.05529	0.8
75.71409	0.6
76.37695	0.7
89.26846	0.7
93.65572	0.6
98.97578	1.0
101.00887	2.7
119.01923	4.0
133.03459	1.1
141.32266	0.6
161.02956	0.7
167.03171	1.1
168.99759	1.0
169.01138	0.7
173.04645	1.0
187.00836	1.3
214.60420	0.9
219.05531	1.2
226.61670	0.8
229.03200	26.0
247.04272	100.0
248.04620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03939	2.9
55.05510	3.5
55.35347	2.2
59.04999	2.3
65.03925	4.6
67.05485	3.5
69.03431	17.9
71.29115	2.1
73.93809	2.0
79.05488	7.7
80.36082	2.4
81.07058	6.4
83.04988	16.9
90.37107	1.9
91.05467	15.9
93.03394	4.5
93.07050	13.6
95.04955	6.3
97.02860	5.6
104.99281	18.8
105.07021	15.5
106.37816	2.0
107.08586	17.0
109.02887	18.2
109.06506	13.5
111.04434	5.7
117.07015	6.0
119.08577	17.3
121.02883	3.4
121.06501	21.8
121.10163	5.8
123.08005	2.9
129.07005	5.3
130.07706	2.4
131.08551	17.2
133.10120	8.4
135.08055	22.4
137.05943	5.0
137.09621	5.1
139.03940	2.0
141.06961	2.5
142.07800	4.0
143.08585	10.8
144.09334	8.3
145.06477	9.7
145.10136	14.8
147.08025	5.1
149.06058	5.6
149.09631	25.0
151.11200	4.1
153.07042	3.4
155.08517	4.1
158.07246	3.8
158.10934	11.4
159.08064	9.4
159.11693	29.6
160.08797	2.9
161.09695	5.7
163.07526	17.4
167.08565	2.2
168.09361	5.0
170.10968	4.8
171.08063	5.2
172.08830	11.2
173.09613	27.1
173.13264	42.5
178.85315	2.2
183.11705	8.6
185.13211	2.6
186.10390	21.8
187.07565	3.0
187.11177	100.0
189.09154	2.9
191.07019	23.4
196.08858	5.6
201.12740	60.4
205.12138	10.4
211.11179	8.6
214.09842	3.7
219.13831	4.8
229.12219	64.6
247.09560	9.8
247.13293	58.6
247.15146	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	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
51.23034	0.4
53.03939	1.7
55.05511	52.1
69.68965	0.6
69.69291	0.8
79.05482	0.4
80.94872	0.5
83.04980	100.0
86.26248	0.4
88.07671	0.4
91.05467	2.9
101.06073	0.9
104.99274	17.2
105.69712	0.4
107.04968	0.5
114.88212	0.4
117.06993	1.1
119.08578	9.7
129.06960	0.8
132.05737	2.2
143.80705	0.4
147.08043	48.4
163.41707	0.5
164.92105	1.1
172.97157	0.4
247.13292	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	248.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03707	0.4
55.05508	1.1
56.05033	1.6
69.87606	1.5
70.06583	1.7
72.08155	8.6
73.08486	1.5
74.06073	0.6
82.99812	3.1
84.08141	5.8
85.01146	1.1
86.09705	1.9
87.10062	0.8
91.05478	1.5
93.07039	3.2
95.04963	0.6
100.02473	3.5
100.07615	1.5
101.00881	27.5
101.07944	1.1
101.10764	2.7
102.03761	1.7
102.05513	0.6
103.05463	12.2
103.06097	0.8
104.05314	1.2
108.76816	0.5
110.07095	0.5
113.06026	0.7
116.07100	0.6
117.10224	0.7
118.03525	26.7
118.10570	1.1
119.01921	100.0
119.88205	0.5
120.02039	1.3
120.08105	65.2
121.08430	1.0
127.03912	0.9
129.10216	0.5
130.03526	1.6
130.06511	2.3
130.08633	0.7
131.04913	5.6
136.04555	4.3
137.02960	26.4
142.03474	1.3
143.10590	0.5
148.06140	1.1
149.06384	0.6
150.05641	1.1
156.01421	0.8
159.06841	0.5
160.06105	4.1
163.21381	0.5
171.06659	0.8
173.06920	0.6
174.02518	1.3
178.05704	0.6
178.07156	3.9
179.05519	1.4
184.04358	0.7
188.09340	6.0
200.25778	0.5
202.07124	16.2
203.05534	6.7
205.07216	0.7
206.06641	5.7
220.08195	4.9
221.06596	21.3
222.06804	0.7
224.07695	1.3
230.06631	5.4
231.05008	1.5
238.09264	0.8
239.07677	3.9
242.08719	0.8
247.18425	1.5
248.07713	51.7
248.11479	12.8
248.16364	1.6
249.06061	11.6
249.08496	1.2
249.12193	0.5
266.08731	38.6
267.06989	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	248.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22799	0.5
56.96568	31.3
60.08137	0.5
63.20537	0.5
63.69814	0.5
64.95555	1.2
65.70992	0.5
71.15628	0.7
72.96037	1.4
84.96082	0.7
85.02903	1.7
86.09716	5.6
88.44361	0.6
97.99176	0.7
98.97585	100.0
107.48980	0.6
110.97590	0.7
112.00716	0.8
116.00235	1.9
116.98624	52.1
124.99099	0.8
126.02245	1.9
127.00755	0.7
128.98579	1.1
134.01228	1.8
134.99661	13.7
140.00229	1.1
140.03844	3.2
141.64674	0.5
142.05424	2.6
143.00124	3.3
150.05524	0.9
153.00751	1.2
153.02180	0.7
158.04890	3.7
160.06456	6.2
161.01239	2.2
170.04857	3.0
170.99677	1.3
171.03296	3.9
176.05963	0.9
178.07471	0.9
181.00266	0.8
188.05949	4.2
189.00728	9.6
189.04340	12.2
206.06993	10.0
207.01773	10.3
207.05374	5.0
212.05986	1.4
224.02644	0.8
224.08066	8.9
230.03352	2.0
230.06998	44.8
231.05406	2.5
248.08078	76.2
253.15160	0.5
253.98380	0.8
266.09140	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	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06572	44.9
72.08142	39.4
74.06083	31.2
76.67155	23.6
83.11576	25.0
85.12711	28.6
146.08124	58.0
162.88147	26.3
166.42026	26.7
202.91338	25.3
217.12923	39.5
249.03700	100.0
249.14471	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.2
56.96559	2.3
58.91024	0.5
58.99858	7.3
69.03423	0.8
70.90681	1.0
72.08171	1.1
77.00894	3.5
81.03416	2.0
82.01447	35.0
82.38747	0.5
85.01389	1.4
85.02899	1.1
94.93009	0.8
97.02900	1.1
98.97591	3.9
100.02485	60.4
101.00864	0.9
103.02445	1.9
104.10739	2.3
105.11069	1.4
109.02894	0.5
111.02930	7.5
113.00848	0.7
115.02402	0.6
116.98612	1.8
118.03527	17.1
119.01903	1.3
123.02921	1.5
123.03996	0.8
127.03917	0.6
129.03989	37.1
131.01970	1.0
131.05551	7.7
133.03445	0.8
134.99594	0.5
135.95425	0.5
139.02388	4.2
141.03981	9.3
141.05052	1.2
145.03450	1.0
147.05029	17.0
149.01201	0.9
149.06601	5.4
152.05568	7.5
154.07053	1.3
155.01996	0.7
157.03470	42.7
158.99612	0.7
159.03868	1.0
159.05046	9.1
161.02928	0.7
164.05591	2.3
170.06659	3.7
172.08224	0.7
173.02934	0.6
175.04524	66.3
176.04849	0.7
177.00713	0.7
177.04726	0.6
177.06136	2.5
180.05054	17.6
182.06639	31.3
185.02919	3.7
189.00758	0.7
189.02438	0.9
193.05569	9.4
198.06123	100.0
199.06195	1.3
200.07706	15.8
203.03973	4.9
205.08263	0.8
207.01831	1.5
208.04553	5.9
216.07184	26.9
221.05867	0.7
221.07796	2.4
226.05603	30.9
231.03497	0.6
244.06676	28.1
245.07039	0.6
249.03528	1.4
267.03891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44685	0.3
55.05507	0.6
57.03436	0.8
61.02912	0.7
63.09976	0.3
68.21750	0.3
69.03088	0.5
69.03429	2.5
69.77135	0.9
70.06587	1.8
71.04975	0.3
72.08174	0.3
77.76715	0.3
78.91976	0.3
81.03419	0.8
85.02501	0.3
85.02908	14.9
88.07631	100.0
95.08640	0.3
97.02894	2.7
97.37178	0.3
98.98471	8.4
99.04460	0.5
109.02899	1.2
111.32184	0.3
113.06059	0.3
115.28240	0.3
123.08075	0.4
127.03919	2.5
136.06172	1.0
145.04942	1.6
151.07564	0.6
169.08676	0.6
174.99312	0.4
215.09137	0.6
250.09006	0.3
250.12854	1.2
250.14647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01883	0.3
55.05513	0.4
57.03434	0.8
57.44114	0.3
60.73452	0.3
61.02922	1.0
69.03426	1.9
69.59586	1.2
70.06596	1.9
81.03429	1.2
82.66988	0.3
85.02905	14.4
88.07631	100.0
89.07984	0.7
97.02903	2.1
98.22673	0.3
98.98472	5.5
99.04491	0.4
109.02891	1.7
112.12260	0.3
127.03907	2.8
145.04956	1.7
156.60774	0.3
208.13351	0.5
222.89421	0.3
227.43060	0.3
250.14728	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	250.1803
Annotation	ALPRENOLOL
Peak:m/z	Relative Intensity
55.05506	1.1
57.03428	0.7
57.07077	1.7
59.86873	0.3
62.48740	0.3
67.05503	0.5
68.05042	0.4
69.03429	0.5
69.07075	0.5
70.62325	0.5
71.05013	0.3
75.16590	0.3
79.05482	1.2
81.07062	6.5
83.04988	0.6
85.06551	0.7
88.07651	0.3
91.05497	1.4
93.07038	0.7
94.06567	0.6
95.08551	0.3
98.98465	8.6
99.08113	0.3
105.07038	1.0
106.06550	0.3
107.08611	0.7
108.08121	0.8
111.14298	0.3
117.06978	0.4
119.08593	1.5
120.08149	0.7
121.06488	0.7
121.10110	0.5
122.09617	0.4
124.11227	1.2
125.06021	1.8
126.12783	1.5
127.07560	0.7
131.08546	1.2
133.06494	1.1
134.09650	0.6
135.08098	0.5
136.06154	0.4
136.11229	2.7
137.09627	0.4
137.11935	0.4
144.05702	0.4
145.06488	0.5
145.10126	0.8
147.08038	2.4
147.10420	0.4
147.11647	0.4
148.11273	0.3
149.09618	0.8
150.12714	0.6
157.93150	0.3
158.07281	0.4
159.08067	3.4
160.08829	0.3
161.13298	0.5
162.12753	2.3
164.14349	0.7
166.44637	0.3
173.09616	2.8
175.11229	0.3
176.08345	2.7
204.17398	1.5
205.15877	2.3
206.19049	0.3
215.14241	0.4
227.95535	0.3
232.16936	3.0
233.15392	6.2
250.18031	100.0
251.18394	2.3
266.69522	0.4
269.59781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1802
Annotation	N,O-Didesmethylvenlafaxine
Peak:m/z	Relative Intensity
50.87544	0.2
55.01870	0.6
55.05507	0.4
67.05505	0.5
68.05025	0.4
69.03420	1.0
70.03760	0.4
70.06599	0.4
70.72820	0.3
71.04981	0.5
72.10364	0.3
79.05505	1.7
80.05021	3.1
80.61481	0.2
81.03419	0.5
81.07053	2.2
82.03722	0.4
82.06598	0.6
84.08164	0.6
85.02899	1.6
86.03254	0.7
87.00842	0.5
87.52370	0.2
91.05481	1.1
93.07053	1.0
93.49555	0.2
94.06584	1.3
95.04961	0.3
95.08619	0.6
95.36308	0.2
96.08099	0.3
97.02870	0.5
97.06516	0.5
98.03255	0.5
98.98466	8.8
98.99099	0.6
105.07047	1.3
107.04935	0.4
107.08604	0.7
108.08111	4.6
109.02941	0.3
109.06506	1.2
117.07030	0.6
119.08594	1.1
120.08140	0.7
121.06500	0.8
121.08816	0.4
122.09674	1.1
124.11234	1.7
128.04227	0.8
128.06244	0.3
129.06938	0.4
131.08566	0.5
132.08176	0.4
133.06497	1.0
133.10147	0.8
134.09662	0.8
135.03041	0.4
135.08049	0.8
135.10400	0.2
136.11180	1.7
143.08514	0.4
145.06531	0.4
145.10155	0.4
146.09610	0.6
147.08047	0.8
147.11696	0.5
148.11183	1.0
149.09654	0.3
150.09158	0.6
152.05682	3.4
153.04140	0.4
158.09634	0.4
160.11237	0.7
161.09593	1.7
162.09154	0.4
162.12746	0.5
164.14357	37.2
165.14708	0.4
174.09032	0.3
174.12750	0.4
174.99213	0.5
176.10744	1.4
178.12302	0.5
181.60968	0.3
188.10667	0.4
190.12230	0.8
203.14400	0.6
204.13867	3.0
204.17462	1.5
210.37143	0.3
214.15910	0.7
215.14330	0.6
232.16963	35.1
233.15242	0.5
233.17412	0.6
237.84433	0.3
250.18025	100.0
251.18349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
57.07072	0.3
58.22636	0.2
67.05503	0.8
68.05035	0.5
68.54541	0.2
69.03431	0.8
69.07071	2.0
69.37950	0.7
71.02001	0.2
71.04983	1.1
79.05505	0.8
80.05012	0.5
81.07050	1.1
82.06580	0.4
83.04961	0.2
83.08631	0.4
84.08146	0.5
85.02896	0.2
85.06531	0.2
86.06060	0.9
87.04449	0.3
91.05479	0.6
93.07034	0.8
94.06587	0.4
95.04957	0.2
95.08596	0.8
96.04521	0.2
96.08131	0.3
97.10141	0.2
98.06067	0.8
98.09669	0.3
98.98468	7.4
100.03959	0.2
105.07022	0.9
106.06515	0.4
106.61528	0.2
107.08604	0.5
108.08087	0.4
112.03940	0.3
117.07016	0.6
119.08585	1.1
120.08109	0.6
121.08894	0.3
121.10188	0.2
122.09658	0.3
124.03947	0.5
124.11239	1.3
125.09633	0.3
126.12827	0.3
127.06349	0.3
131.08536	0.4
131.55083	0.2
132.08047	0.3
133.08823	0.2
133.10114	0.3
134.09624	0.2
136.06190	0.5
136.11232	0.5
137.09631	0.5
138.12820	0.5
140.07068	1.2
140.10759	0.4
143.08626	0.2
145.10117	0.3
146.09682	0.3
147.08052	0.2
147.11674	0.7
148.11203	1.0
150.09149	0.3
152.10721	0.3
154.08632	0.2
154.12286	1.6
160.11224	0.4
161.12076	1.1
161.13258	0.4
162.12761	1.2
164.07147	0.2
164.14325	0.4
166.08672	0.2
166.12331	0.4
168.10246	0.2
170.11787	1.2
173.09631	0.2
174.99200	0.3
176.10738	0.2
176.14377	0.4
178.08675	1.5
178.15935	0.5
182.11765	0.6
189.12770	1.1
192.10153	0.4
193.10944	1.6
194.11748	0.7
204.13864	0.2
204.17451	2.0
206.19044	0.5
208.13319	0.8
215.14255	0.3
216.35545	0.2
220.71964	0.2
222.18558	0.2
232.16992	1.5
242.53079	0.2
248.16405	0.3
250.18018	100.0
251.18344	2.0
269.68628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1092
Annotation	Deoxyadenosine
Peak:m/z	Relative Intensity
52.27959	0.1
53.03880	0.1
55.01839	0.3
56.96523	0.1
57.03407	0.2
67.05450	0.2
68.05001	0.2
69.03369	0.7
70.06567	0.7
71.04985	0.8
71.45506	0.1
72.08115	0.3
73.02921	1.1
79.05470	0.1
80.04950	0.3
81.03410	0.7
84.08080	0.3
85.02917	1.0
85.06512	0.2
94.04018	0.4
94.06545	0.2
96.08049	0.2
97.02875	0.3
98.06046	0.1
98.98466	5.6
99.04453	1.5
105.06972	0.2
109.02837	0.2
110.07123	0.2
112.07585	0.1
117.04724	0.2
117.05487	2.6
119.03552	0.7
120.08070	0.2
122.09626	0.4
123.05527	1.0
124.75158	0.1
125.06011	0.1
127.03906	0.5
134.09666	0.2
136.06183	100.0
137.04610	0.5
137.06572	0.4
137.11998	0.3
145.04979	0.5
145.96713	0.2
146.09703	0.1
150.09186	0.3
151.05020	2.8
152.05861	0.2
154.12242	0.2
160.11266	0.7
165.06599	0.3
165.10336	0.3
166.12286	0.2
167.41159	0.1
174.99371	0.2
176.99010	0.1
178.12282	1.2
182.11884	0.5
192.11458	0.5
193.09721	6.7
205.98845	0.3
206.15402	0.7
209.25299	0.1
224.16856	0.1
229.00548	0.2
230.26872	0.1
234.14880	2.6
235.11868	0.8
247.01657	0.1
252.11115	2.7
252.16187	17.4
253.16650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05486	0.5
55.15795	0.5
57.03446	0.5
58.23110	0.5
60.05183	0.5
60.05643	0.5
61.02930	0.4
64.31911	0.5
66.62592	0.5
67.05499	0.9
68.05025	1.9
69.03429	1.1
69.45255	0.6
69.45583	1.9
70.06586	2.8
71.04961	0.7
72.08144	0.5
73.06539	1.3
79.05498	0.4
80.04993	0.8
81.03420	0.6
85.02904	3.4
94.02917	2.2
94.06615	0.6
95.06083	0.5
95.08535	0.5
96.04448	0.6
96.08115	0.6
97.02884	1.4
98.06077	0.6
98.98469	8.1
108.08099	0.6
110.07164	0.5
112.08694	0.6
114.05503	1.4
115.08786	0.6
120.08083	1.7
122.09665	1.3
123.05551	13.8
125.06026	1.0
127.03902	1.0
132.08058	0.7
134.09647	1.1
135.10399	0.9
136.06166	1.5
137.07147	0.7
137.10725	1.7
145.04959	1.3
146.09660	0.8
150.09142	1.8
151.05026	45.3
152.05826	2.3
152.10732	0.9
160.11208	5.9
164.11810	0.7
165.06560	2.4
165.10210	4.5
178.12242	7.0
188.14397	0.6
190.09691	0.5
192.11333	9.0
193.09727	100.0
194.10028	1.6
205.98726	0.5
206.11894	0.6
206.15396	0.7
210.12363	2.2
216.13857	0.7
234.14870	22.4
235.11888	12.7
235.14540	0.6
235.15329	0.6
247.01633	0.6
252.14362	39.3
252.16034	58.8
253.16258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1596
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
63.27700	0.2
66.02329	0.2
67.05508	0.3
69.03429	0.4
69.84695	0.8
71.04981	0.4
75.26495	0.3
79.05482	0.3
80.05010	0.8
80.86162	0.2
81.05814	0.5
82.06551	0.3
83.07339	0.4
94.06580	0.4
95.07331	0.6
96.08107	0.7
98.98466	5.7
99.04443	0.6
106.64248	0.3
107.19395	0.2
108.08114	1.5
109.08896	0.7
111.34979	0.2
122.09670	2.4
123.04381	0.4
124.11198	0.5
136.11214	7.6
137.11996	8.5
145.96678	0.3
153.86781	0.3
163.97783	0.3
163.99367	0.2
164.10725	0.8
178.12247	1.9
192.10202	0.3
205.98746	0.4
206.15404	23.6
207.15768	0.8
224.12801	4.9
229.00278	0.3
234.14871	1.5
252.15947	100.0
253.16298	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46465	0.7
58.57479	0.9
59.34005	0.8
69.03443	0.8
70.06570	1.5
70.65627	1.1
81.19495	0.8
83.06108	1.4
85.02888	1.3
93.04523	0.9
94.93015	13.1
95.91096	0.8
98.98470	55.3
100.98852	0.9
106.73201	0.8
110.06442	1.7
110.07169	18.8
116.07101	1.7
146.55309	0.9
156.07639	1.5
162.95631	1.6
164.93523	100.0
167.49803	0.8
174.99287	0.8
176.98909	1.9
190.95103	1.9
227.19643	0.8
234.94110	4.1
235.11876	8.3
235.97272	1.1
252.95178	1.4
253.03011	5.3
253.12976	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	253.1071
Annotation	CHEBI:70192
Peak:m/z	Relative Intensity
51.02374	0.6
53.65875	0.5
57.03435	0.7
57.07075	1.2
65.03925	1.3
67.05496	4.1
69.03425	1.1
69.07063	0.5
71.04996	0.9
71.44097	0.7
79.05489	6.3
81.03417	0.9
81.07060	6.2
85.02921	1.4
85.06541	2.2
85.37733	0.5
91.05480	7.0
92.02621	0.9
93.03426	0.7
93.07034	0.5
94.04176	2.6
95.04958	2.7
95.08610	0.5
97.02899	1.0
97.06538	1.2
98.98466	93.1
100.98878	1.2
105.04472	0.8
105.07024	1.2
107.04953	6.1
109.06522	5.1
110.06019	0.8
111.04436	1.9
116.99487	2.4
119.08633	0.7
121.02908	0.5
121.06504	2.7
122.03658	0.8
123.04417	1.8
125.05993	5.1
127.60739	0.5
129.06992	3.3
131.08565	4.2
133.06462	1.3
134.03651	1.3
135.04428	6.8
136.05235	0.7
137.05974	54.8
138.03104	0.7
139.03972	0.6
144.05724	0.8
149.05978	2.5
151.03920	0.8
151.07581	0.7
153.05476	2.2
157.06503	2.5
159.08090	3.1
161.06029	0.5
161.49483	0.5
163.03886	14.4
163.07542	0.5
164.04407	0.7
165.05438	0.8
165.09085	0.9
166.02640	5.3
169.04916	0.5
174.06738	0.9
174.99226	2.9
176.08267	1.2
176.98932	2.4
178.02585	1.7
179.03400	0.6
179.07002	0.6
181.04950	100.0
182.05286	1.5
191.10674	6.5
193.04979	4.0
197.11720	1.4
207.10164	0.6
209.08202	0.8
209.11748	4.0
210.18637	0.6
217.08511	2.7
235.09631	73.1
236.09937	1.5
246.48024	0.5
252.19296	2.0
253.10501	5.8
253.16238	0.7
253.19563	2.8
254.13873	0.7
254.17549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01885	2.6
55.05508	8.4
56.96566	17.5
57.03218	0.5
57.03441	5.6
59.04998	0.6
61.02929	8.6
61.30025	0.4
69.03431	19.7
70.98132	0.6
71.01357	1.0
71.04990	1.5
71.45137	0.5
73.02916	3.2
73.06556	36.4
74.06876	0.7
81.03421	6.5
85.02905	100.0
85.41150	0.5
86.03246	0.7
87.04456	2.0
91.03951	4.7
97.02892	20.9
98.97597	2.6
98.98470	35.1
99.03890	0.6
99.04446	3.2
101.02353	0.7
103.03941	0.8
109.02888	7.8
110.07201	1.0
115.03954	1.0
116.00114	0.5
116.84837	0.6
116.98625	2.1
116.99420	0.7
120.08110	0.9
124.99116	3.3
127.03920	18.4
130.93317	1.4
131.03426	0.7
133.42667	0.5
136.07607	0.4
138.96776	4.7
143.00171	11.1
144.40227	0.5
145.04958	24.9
146.05283	0.6
146.99353	0.7
156.96683	0.8
156.97858	3.7
159.02875	1.3
161.01242	7.1
163.06039	4.7
170.99640	4.9
172.94406	2.1
173.01279	0.6
174.97672	1.7
174.99133	0.9
176.98961	1.2
179.02339	0.9
189.00710	33.6
190.00974	0.5
190.95383	1.1
192.98604	0.7
193.00179	1.1
194.09265	1.1
195.11223	0.6
207.01778	36.8
210.98914	7.1
211.01129	1.6
212.02272	2.0
218.00244	1.0
219.04944	1.2
225.02901	1.2
227.00800	1.8
228.99957	4.5
230.03398	2.0
235.15291	2.7
245.01877	0.8
249.02686	0.6
252.99951	1.4
253.16292	8.9
270.98053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10010	1.2
94.93012	8.7
100.33574	1.2
134.07108	1.2
149.93558	9.0
154.38293	1.1
158.10030	1.2
192.83340	1.4
235.97221	100.0
253.98297	19.9
254.01003	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	253.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10010	1.2
94.93012	8.7
100.33574	1.2
134.07108	1.2
149.93558	9.0
154.38293	1.1
158.10030	1.2
192.83340	1.4
235.97221	100.0
253.98297	19.9
254.01003	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33450	1.2
56.96561	3.4
61.02946	8.3
69.27145	8.3
70.98129	2.5
71.01363	8.9
75.04478	14.9
87.04464	3.8
89.02395	3.5
98.19189	1.1
98.98472	3.6
103.03948	23.2
106.50909	1.4
115.00694	4.0
125.06008	2.0
131.03430	5.5
134.09631	2.0
157.01726	1.8
159.02887	51.4
162.12825	3.1
166.24962	1.8
175.02791	3.4
180.13828	3.4
183.30138	1.5
187.02420	3.5
190.15919	1.4
205.03790	1.7
208.16817	1.8
219.05003	100.0
236.16449	34.1
254.13788	3.2
254.17535	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05517	1.5
56.96570	29.8
57.03440	2.1
58.11825	1.5
59.05005	1.5
59.41377	1.3
61.02927	6.8
68.99789	1.6
69.03442	6.3
70.06591	2.8
70.98111	1.7
71.01357	43.9
71.04990	1.6
71.44558	1.3
73.02918	2.1
75.04488	13.7
80.05003	1.0
81.03443	1.4
81.07051	1.2
84.00842	1.3
84.08144	2.0
85.02912	14.0
86.03271	1.2
86.09724	6.3
87.04514	1.4
91.03964	1.3
93.04520	1.3
94.47993	1.2
95.01700	1.1
97.02907	5.9
98.06010	1.2
98.97584	39.3
98.98466	8.5
99.00800	1.7
99.04482	2.3
101.00912	1.4
101.02380	3.3
103.03941	17.3
110.07160	5.4
111.00803	2.9
113.02380	2.4
115.00705	3.2
115.03934	1.3
116.03450	4.0
116.98627	27.1
117.01862	4.0
119.01939	3.5
119.03384	2.1
123.05553	27.0
124.11192	1.3
124.99108	1.2
127.00301	3.3
127.03925	4.0
129.01848	4.4
130.93306	1.3
131.03407	40.4
133.04948	6.5
134.99638	11.2
136.99121	1.1
141.01849	3.8
143.00183	4.7
143.03394	2.0
145.01355	2.5
145.04968	18.5
152.10693	1.6
154.97835	2.4
156.10185	1.6
157.04950	19.2
159.02888	100.0
161.01230	3.3
163.06018	4.4
163.12318	1.9
166.02946	4.9
169.01465	1.4
173.04459	3.7
174.97586	1.6
175.02768	2.9
176.05600	1.5
177.00841	1.5
177.03918	1.3
184.04002	1.4
186.09695	3.6
187.02487	1.6
189.00751	4.2
190.01071	3.7
190.95424	2.2
191.05505	13.7
194.09364	1.4
196.24109	1.3
200.97470	2.0
201.04012	5.4
202.98734	1.3
205.03889	1.4
207.01804	5.3
208.02122	2.9
208.14552	2.2
211.99384	1.6
212.03682	3.4
214.09254	4.3
214.95367	2.6
219.04997	80.9
220.99693	1.5
222.51202	1.7
226.14360	1.5
230.04645	2.4
230.98392	4.0
231.01903	1.7
231.05338	1.7
231.51759	5.8
232.10376	8.3
232.96452	10.5
236.16479	6.8
237.06026	7.3
239.98796	6.5
240.52293	6.7
244.96304	1.8
248.99188	2.4
249.02963	1.7
250.97566	3.8
252.53215	1.8
254.13673	14.0
254.17416	16.2
258.02359	1.5
260.08197	2.2
262.97449	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	254.1387
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
55.01874	1.0
55.96501	0.4
56.05030	0.5
60.60118	0.4
67.05501	3.9
68.05021	0.5
69.03429	4.9
69.66021	1.7
70.06592	8.1
71.04992	0.6
79.05487	2.5
80.01358	0.4
81.07066	1.4
82.14275	0.4
84.04500	0.9
86.06071	13.6
87.04465	26.9
93.07011	0.7
94.06573	2.4
95.04957	1.1
95.08609	10.1
96.08131	3.9
98.06052	46.1
98.23524	0.5
98.98462	4.6
99.11187	0.5
100.07666	0.5
103.05477	0.7
105.07028	8.5
107.08583	0.9
112.07566	0.8
116.07095	5.8
122.06062	1.1
122.09641	3.6
123.04433	5.3
123.08071	2.8
124.07586	15.1
126.09148	0.6
132.08070	1.9
133.06491	14.1
134.09621	0.8
142.08627	0.7
150.09143	15.9
151.07545	7.2
162.09093	1.0
168.10191	5.1
172.78604	0.4
174.12791	0.6
183.24428	0.4
190.12213	2.7
193.56667	0.4
195.11331	0.6
200.36197	0.4
218.11761	4.7
236.12773	4.9
254.13860	100.0
255.14119	2.2
271.07187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.05515	0.7
56.05033	0.4
56.96572	1.6
60.08165	41.4
65.03936	2.2
67.05495	1.0
69.03426	0.7
70.06594	7.0
71.04989	0.6
71.42314	0.3
75.04470	0.5
76.88247	0.4
79.05505	1.3
80.05017	0.7
81.03422	0.4
81.07056	1.9
83.06113	1.9
84.08158	1.5
85.02888	0.7
85.06547	0.7
87.04467	1.6
91.05477	3.6
93.03403	9.9
93.04533	1.3
93.07047	1.1
94.06578	1.0
95.04994	0.8
95.06091	2.0
95.08624	0.5
96.08147	1.0
97.72631	0.4
98.06060	1.9
98.97682	0.8
98.98466	7.2
103.08049	0.4
108.08146	0.7
110.03709	0.8
110.06040	0.6
110.07163	13.3
111.04444	8.3
111.05615	0.5
111.06849	0.4
111.07479	2.0
112.08744	0.6
114.09190	0.5
118.04256	0.6
119.04958	2.8
121.06526	1.5
122.09676	1.7
124.07561	0.6
124.11256	1.2
125.05994	22.0
125.07088	2.5
126.09065	0.4
134.03668	0.4
134.09575	0.6
136.11241	1.2
137.05992	0.5
138.12830	1.1
139.49721	0.4
148.11288	0.7
149.05980	40.2
150.06366	0.4
150.09146	1.7
151.07500	0.8
152.10699	0.5
153.05466	49.0
156.07698	0.8
156.10194	7.5
156.11411	0.6
159.02893	0.7
162.09149	0.5
162.12775	5.5
163.03908	0.5
163.12303	4.1
164.10733	0.5
166.02885	3.0
167.11819	2.7
168.04425	1.3
168.10214	0.7
177.05519	3.0
180.10220	0.4
180.13834	11.4
182.11760	10.1
184.03915	0.9
186.05396	0.6
187.02679	0.5
188.92366	0.4
190.13443	1.5
194.12961	1.1
195.06522	32.9
195.11285	14.0
195.13011	0.8
196.06889	0.4
208.13057	0.4
208.14490	5.6
208.16768	0.7
212.03468	1.6
219.05098	0.9
230.04547	1.5
231.01740	0.5
236.12387	1.5
236.16444	26.3
237.13597	0.5
254.09900	1.4
254.14014	23.5
254.17528	100.0
255.08458	0.8
255.14351	1.4
255.17783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1614
Annotation	CI 4
Peak:m/z	Relative Intensity
57.19128	0.3
63.01430	0.2
67.83154	0.3
70.06592	14.3
70.48125	0.2
76.62514	0.2
77.13713	0.3
79.71289	0.2
82.05788	0.2
82.57826	0.2
88.07584	0.3
90.05587	0.2
92.24457	0.2
93.53369	0.2
97.07648	1.1
98.06055	12.1
98.08438	0.3
100.07587	0.2
112.08739	0.8
122.09666	2.2
125.07117	16.0
146.73090	0.2
150.09158	0.3
153.06595	0.4
154.07393	0.8
166.02884	0.3
166.13426	1.3
167.11798	20.1
168.12131	0.4
177.10204	0.3
193.09741	0.5
194.12910	9.6
195.11292	100.0
196.11649	1.5
212.13953	0.9
220.10858	0.4
237.13466	3.9
254.16115	84.7
255.16403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05512	0.4
56.05041	0.4
57.36596	0.3
63.35426	0.3
69.03424	0.5
69.07095	0.4
69.74047	1.2
70.06594	4.0
79.05505	0.5
80.05018	0.4
82.06598	0.8
82.67452	0.3
84.08176	0.4
85.06532	0.9
85.90053	0.3
93.07054	1.3
96.08131	1.4
97.06564	0.3
97.08926	0.5
98.06076	2.1
98.98435	0.6
108.08089	0.9
110.09659	1.8
112.11264	0.4
120.08098	0.9
122.09658	2.5
124.01469	0.4
124.11211	2.2
125.06001	1.6
125.07124	2.5
128.06943	0.3
130.61691	0.4
134.09625	1.9
136.11203	1.7
136.62726	0.3
137.12009	2.0
148.11203	2.5
150.09187	0.5
153.51651	0.3
162.09184	0.4
162.12781	8.5
163.13530	0.6
164.10741	0.4
167.11797	3.6
176.10709	0.8
180.13824	6.2
180.15280	0.5
182.11810	0.9
188.14388	0.9
189.18066	0.4
190.15912	1.2
194.12907	1.4
195.11292	19.8
203.61789	0.4
208.13298	0.3
208.16928	1.4
218.15370	0.8
236.16451	59.8
237.13467	0.9
237.16774	1.4
254.17648	100.0
255.17941	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	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
56.05040	0.4
58.53782	0.3
60.04514	0.9
61.47687	0.3
67.05512	0.6
69.00457	0.3
69.03432	0.3
69.07076	0.4
70.06590	5.4
71.02036	0.5
75.04465	0.3
79.05510	0.3
80.05023	0.4
81.07043	0.3
82.06567	0.6
83.05006	0.3
84.08126	0.4
85.06541	0.4
87.54756	0.3
91.05484	0.3
93.07056	0.9
94.06535	0.6
96.08140	1.2
97.07629	0.4
98.06062	4.2
98.98466	1.3
103.03945	0.4
106.06503	0.3
108.08124	0.6
110.09684	1.7
112.11214	0.5
114.09199	0.3
115.03798	0.2
120.08089	1.3
121.08456	1.1
122.09676	1.5
124.11234	3.3
125.06016	1.3
125.07117	4.8
127.97385	0.3
134.09628	2.1
135.10426	0.3
136.11224	1.3
137.12025	1.2
138.09160	0.3
138.12830	0.3
144.82803	0.3
148.11258	1.6
149.11963	0.6
150.09148	0.6
150.12672	0.3
152.10715	0.6
154.12302	0.5
159.02885	1.3
162.09198	0.3
162.12788	5.8
163.13562	0.6
164.10742	0.3
166.08627	0.4
167.08966	0.8
167.11801	5.7
174.41103	0.3
180.13829	5.1
182.11786	0.3
188.14394	0.7
190.15884	0.9
194.12996	2.6
194.36748	0.3
195.11292	31.6
196.11682	0.6
208.11606	0.4
208.13347	0.5
208.16963	1.2
218.15536	0.4
219.04993	2.3
236.16452	41.6
237.13475	1.1
237.16838	1.3
254.17683	100.0
255.17941	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	255.1018
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01851	0.3
56.76597	0.3
65.70493	0.3
67.93534	0.3
70.72968	0.7
85.02903	1.7
86.33312	0.3
89.67933	0.3
131.04936	1.1
141.07018	1.1
142.96158	0.3
143.08678	0.5
145.14223	0.3
152.06238	2.1
153.06972	1.3
154.07785	0.3
155.08513	0.4
156.09364	0.8
157.06491	0.5
159.08098	0.4
161.05942	1.7
165.06989	3.0
166.07751	3.6
167.08556	9.1
168.05797	0.3
168.09283	0.4
169.06454	3.3
169.10117	1.0
170.07214	0.4
171.08130	1.8
177.06999	1.0
178.07765	1.0
179.08614	2.1
181.06512	3.7
181.10165	0.4
182.07315	1.1
183.08049	2.0
184.08830	5.5
187.07469	1.2
194.07256	5.3
195.08046	10.6
196.08836	6.9
197.05965	7.1
197.09460	0.6
198.06680	0.8
199.07501	0.6
199.11139	3.7
205.06427	0.5
206.07390	0.4
209.09645	4.8
211.07599	2.6
212.08328	24.9
213.08971	2.4
222.06767	1.0
223.07516	1.3
224.08321	1.7
225.05534	0.6
225.08876	0.4
226.09888	0.7
227.10678	26.3
228.10938	1.0
237.09105	1.2
238.09917	1.1
240.07822	4.5
241.08604	1.8
255.10162	100.0
256.10590	4.3
279.36761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1019
Annotation	2,3-Dimethoxy-7-hydroxy-phenanthrere
Peak:m/z	Relative Intensity
55.01893	0.4
57.02641	0.3
69.03451	0.4
69.82614	0.4
69.82950	1.0
77.25218	0.3
98.98465	1.3
129.07030	0.4
141.07022	0.8
143.08540	0.3
152.06229	1.5
153.07071	0.3
157.06473	0.5
158.07256	0.4
165.07011	2.8
166.07791	1.7
167.08583	4.7
169.06479	2.3
169.10211	0.4
170.07213	0.4
171.08034	0.7
176.06284	0.5
177.07004	2.8
179.08638	0.5
181.06476	2.3
181.10164	0.4
182.07164	0.9
183.08028	1.3
184.08795	1.7
185.09636	0.6
194.07286	1.6
195.08080	13.7
196.08812	6.0
197.06001	12.2
197.09636	1.3
198.06746	1.2
199.11240	0.8
209.05908	0.4
209.09576	2.2
211.07585	2.8
212.08344	22.9
213.09087	4.1
223.07565	3.4
224.08406	2.1
225.05548	1.2
225.08908	0.4
227.10703	4.8
239.07120	0.7
239.10435	0.4
240.07880	6.7
240.10976	1.1
241.08591	1.9
255.10190	100.0
256.10883	10.1
277.03085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1018
Annotation	Isoflavidinin
Peak:m/z	Relative Intensity
53.55979	0.2
54.67481	0.1
55.01864	0.3
55.44175	0.2
57.47241	0.2
69.03429	8.8
69.48859	0.8
83.01321	0.6
91.05464	0.5
97.02883	2.1
98.23533	0.2
98.98487	0.9
105.07050	0.2
115.05456	0.4
117.93094	0.2
118.25674	0.2
119.70037	0.2
121.06539	0.2
121.10123	0.2
123.01292	0.2
128.06224	0.5
128.10710	0.2
129.07002	0.5
141.07005	1.1
143.08562	0.6
144.05728	0.2
145.06421	0.3
152.06169	0.4
153.06970	1.1
155.08514	0.7
156.09340	0.3
157.06483	0.5
158.07281	2.7
159.08049	0.6
165.06989	4.4
165.08374	0.3
166.07784	6.3
167.08536	1.0
168.05577	0.4
169.06464	2.0
170.07216	0.6
171.08047	7.2
171.11769	0.3
173.09628	0.2
176.06105	0.3
178.07784	0.3
179.08524	0.7
181.06572	1.0
181.10115	4.8
183.08063	3.1
184.08849	2.1
185.05951	1.0
185.09624	2.7
187.07515	0.4
189.07039	0.4
190.07790	2.1
191.08566	4.4
192.09019	0.3
193.10135	0.4
194.07268	12.4
195.08000	2.5
196.08844	0.8
197.05968	7.2
197.07799	0.3
197.09651	0.4
198.06702	0.5
199.11191	2.6
205.06531	0.9
208.08803	0.7
209.09608	30.9
210.09988	1.1
211.07568	2.7
211.11136	0.7
212.08313	12.0
213.08989	1.3
213.12740	0.2
219.08034	1.2
220.08769	0.2
221.05983	1.3
222.06764	6.4
223.07520	0.9
225.05402	0.6
225.08977	0.2
226.09889	0.5
227.10666	16.0
228.10966	0.4
237.09081	18.2
238.09738	1.6
239.06985	1.2
240.07800	40.5
241.08215	1.0
254.09428	0.5
255.10147	100.0
256.10492	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	255.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.6
57.02357	0.7
57.42002	0.6
57.89569	0.9
63.30501	0.7
69.07058	2.0
69.66832	2.7
70.06602	0.9
72.08164	0.9
75.47124	0.7
82.99866	1.7
84.08128	0.8
86.09704	48.4
87.10046	0.8
93.04493	0.9
97.06515	3.8
98.97561	0.8
98.98467	4.5
101.00877	13.7
110.07162	8.8
116.71909	0.8
118.03530	2.8
119.01922	31.3
119.02776	1.7
123.05540	7.8
124.03924	0.9
131.01894	1.9
137.02940	5.8
144.08656	1.2
154.03494	1.3
156.07713	3.7
161.01228	0.9
162.09808	0.9
168.08714	2.7
172.04567	1.1
173.06609	0.8
186.09755	33.7
191.07689	0.9
196.08075	0.7
197.06584	2.3
204.10786	9.0
214.09241	45.4
215.07574	2.0
215.09415	1.4
232.10294	100.0
233.10474	2.2
252.84485	0.8
255.11876	1.9
255.14622	2.4
256.03433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1381
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.23165	1.0
65.03938	1.5
67.05510	1.5
69.03416	1.5
69.07064	1.4
72.08152	1.7
79.05486	2.9
81.07045	4.5
84.08114	1.2
86.54581	1.0
91.05479	100.0
92.05804	1.3
93.07041	1.7
95.04980	1.4
95.08611	2.4
97.99316	1.1
98.23446	2.6
98.98458	18.6
103.05427	1.2
105.07033	10.2
107.08592	3.0
109.06554	1.9
115.05422	1.9
117.07027	6.4
117.63767	1.1
118.45281	1.2
119.08574	3.3
121.06490	6.0
121.10130	1.7
123.08079	1.9
125.05988	1.7
131.08554	6.8
133.10062	1.4
135.08063	7.7
136.08824	4.0
137.05975	19.2
141.06995	1.5
143.08553	2.4
149.05978	7.6
149.09592	3.1
151.07533	16.1
153.06918	1.1
155.08531	2.4
163.07533	15.7
165.07001	2.6
167.08539	3.0
169.10133	1.2
171.11763	1.9
176.98920	1.2
177.09108	5.0
179.08554	5.1
180.09351	1.8
181.10185	2.9
191.08551	1.4
192.09357	5.3
194.10905	3.8
195.08058	2.6
195.11655	2.7
197.09702	2.4
205.00737	1.0
205.41093	1.2
207.11693	5.9
209.09605	2.5
209.13251	7.5
210.10365	2.8
211.11163	1.4
212.08272	1.5
212.11929	1.9
213.12834	5.8
219.11702	2.5
222.10435	4.5
225.09229	2.5
225.12701	12.7
227.14307	3.6
237.12746	21.0
240.07745	3.0
240.11452	10.7
255.10240	9.3
255.13809	72.9
256.14029	2.3
258.11200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96527	0.5
71.08603	0.5
91.05467	7.6
92.05803	3.5
98.97589	4.1
98.98127	0.8
98.98420	0.4
100.02177	0.6
116.98621	3.3
120.04429	0.6
128.01506	0.6
134.99617	1.4
136.08849	0.6
138.05478	1.3
148.03862	0.9
151.07520	0.8
152.01613	0.7
152.03497	0.6
156.01132	10.3
163.00853	2.3
164.01686	0.6
170.02704	2.9
172.01526	0.5
173.42731	0.5
178.16776	0.5
180.01140	4.2
180.02574	0.8
180.06516	1.6
181.01874	0.7
182.99869	4.2
184.00653	7.8
187.14642	0.5
192.01132	0.7
196.06046	8.6
198.02216	13.3
199.02954	1.6
208.00627	0.6
208.06035	1.2
209.01421	2.4
210.02153	2.0
212.03745	2.2
213.09012	1.3
217.19724	0.5
223.08366	1.8
224.03731	8.1
225.04527	1.6
226.01686	38.0
228.14401	0.8
232.96486	1.0
241.04027	100.0
242.04297	1.7
256.06381	98.7
256.13669	4.2
256.26340	1.9
257.06790	1.7
257.11710	1.5
274.97565	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
56.05017	0.5
57.03177	0.3
57.03435	4.0
59.05004	0.4
61.02930	0.7
68.05026	0.4
69.02835	0.2
69.03432	2.5
69.04570	0.3
70.06587	0.8
70.31383	0.3
71.01350	1.3
73.02916	3.2
78.03424	0.3
80.05025	0.9
81.04550	0.3
82.06579	2.3
83.06100	1.7
85.02905	2.9
86.06072	0.9
87.04465	9.8
96.04490	0.6
96.08138	1.0
97.02877	1.0
97.07655	0.9
97.08910	1.6
98.06075	0.4
103.03928	0.5
109.04005	0.2
109.07634	0.6
110.07156	0.3
111.10457	0.4
114.05526	3.4
115.03929	2.3
123.05547	1.1
124.03950	100.0
124.11226	4.5
125.04302	0.8
125.09552	0.3
127.05058	1.7
127.08688	0.7
133.04961	4.7
138.12953	0.2
152.10699	17.5
155.08147	9.9
168.56308	0.2
170.11757	5.1
182.11842	0.2
182.17146	0.2
189.03915	0.4
196.07146	0.4
196.11629	0.6
197.11871	0.6
210.08842	0.2
210.14899	0.9
238.14333	0.7
255.16536	0.3
256.15411	53.8
257.15811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1335
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
57.07067	3.3
60.08164	4.4
64.89381	0.7
65.22787	0.8
67.05501	0.8
75.01807	0.7
85.10201	0.7
96.93713	0.8
98.97587	1.8
116.66512	0.8
116.98611	1.8
124.36975	0.9
154.06512	1.4
167.07307	40.0
168.08072	6.0
169.08731	1.0
180.08073	1.4
183.47273	0.7
184.07617	1.4
185.08316	2.7
195.06776	1.9
200.07123	1.7
210.12782	64.0
211.13112	1.8
213.07808	6.7
214.08606	1.1
216.06210	0.8
217.95372	0.8
228.13741	3.7
238.12251	6.3
256.13330	100.0
256.26422	5.5
256.30002	31.4
257.13641	3.0
274.97385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1545
Annotation	Meteloidine
Peak:m/z	Relative Intensity
55.05507	0.8
56.71764	0.3
56.96329	0.4
56.96565	4.2
57.03427	0.5
60.05637	0.5
68.05026	0.4
69.03432	3.2
70.06590	5.1
70.75836	0.7
71.04989	0.9
72.08134	1.6
79.05469	0.6
81.07047	0.6
82.06567	2.7
84.08128	1.4
85.02889	0.9
85.08890	0.5
86.06065	1.9
86.38616	0.4
87.04467	18.9
95.08579	0.7
96.08134	9.1
97.07642	0.6
97.08888	1.5
98.06055	5.5
98.97583	18.6
98.98495	0.7
99.04400	0.5
107.08621	0.8
109.08951	0.4
110.07155	0.8
111.10442	0.5
112.07587	0.8
116.98624	11.0
117.03944	0.5
119.01869	1.1
124.03942	2.4
124.05872	0.5
124.07584	2.6
124.11230	12.4
125.09630	2.7
130.93242	0.5
134.99660	3.8
135.05049	0.4
135.08051	4.0
140.00195	0.3
140.10719	2.4
143.00073	0.4
144.03214	0.4
152.10704	26.8
153.09036	0.5
158.08185	0.5
161.01173	0.7
168.10190	2.0
168.12045	0.8
169.09412	0.6
169.12387	0.9
170.11758	9.0
171.10919	0.9
172.09261	0.5
172.94322	1.4
173.07637	0.5
182.11769	7.6
188.02269	0.5
189.11945	1.0
190.95296	1.6
192.13776	0.9
196.11610	1.6
197.07727	2.9
197.11842	6.4
210.14912	5.6
214.95349	0.7
215.08618	3.1
216.23398	0.4
220.13304	1.7
224.16399	1.1
232.96384	0.9
233.05121	0.6
233.10893	0.4
234.02823	1.0
238.14366	6.7
239.09885	2.3
239.14583	0.5
250.97539	0.9
252.03958	2.4
256.15402	100.0
256.96350	1.8
257.10861	1.4
257.15759	1.9
257.18402	0.6
274.97519	13.4
278.91281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05507	0.5
56.96556	0.6
60.44001	0.2
60.79007	0.2
67.05511	1.3
69.03426	0.5
69.07063	0.3
69.76733	0.8
70.06588	0.6
71.05007	0.3
74.02012	0.2
79.05497	0.4
81.07047	0.6
84.08143	0.4
88.83911	0.2
89.05991	0.2
91.05459	0.5
93.07046	0.6
95.08619	0.6
96.08109	0.5
97.06486	0.3
98.09678	1.6
98.97572	1.8
105.07005	0.3
106.11153	0.2
107.08583	0.3
109.06535	0.3
109.10139	0.5
110.09671	0.5
116.98599	1.1
119.08556	0.2
122.09590	0.2
124.07556	0.2
124.11243	0.2
125.05994	0.6
128.84799	0.2
134.53006	0.2
136.11218	1.0
138.12759	1.8
141.29877	0.2
147.11664	0.3
148.11102	0.3
150.12737	0.7
151.13565	0.6
162.12695	0.3
164.14348	41.1
165.14717	0.7
192.17447	0.5
210.07642	0.3
210.14842	1.8
210.18500	1.0
220.16966	0.9
236.16519	0.3
238.18005	41.2
239.14876	0.4
239.18282	0.6
256.19058	100.0
257.19330	1.9
260.27615	0.2
274.97479	1.5
277.75418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05512	0.4
56.05024	0.2
59.60598	0.2
67.05493	1.6
69.03423	0.3
69.12936	0.9
69.13345	0.5
70.06591	0.5
77.28356	0.2
79.05486	0.2
80.04964	0.2
81.07039	0.6
82.06585	0.4
84.08138	0.4
89.06029	0.8
91.00472	0.2
91.05470	0.5
93.07040	0.7
95.08611	0.5
96.08145	0.5
98.09685	1.9
98.97578	0.9
105.07014	0.4
107.08620	0.3
108.08101	0.3
109.08927	0.2
109.10123	0.5
110.09683	0.4
112.59146	0.2
116.98645	0.4
121.01646	0.2
122.09715	0.3
124.07603	0.4
124.11250	0.3
125.05984	0.5
126.09210	0.3
136.11214	1.0
138.12784	1.8
140.07065	0.2
145.97722	0.2
147.11697	0.4
150.12770	0.4
151.13615	0.4
162.12804	0.4
164.14351	44.1
165.14682	0.6
176.17592	0.3
192.17416	0.7
210.14905	1.6
210.18480	0.8
220.16959	0.9
238.18013	41.2
239.14920	0.6
239.18333	1.0
252.96515	0.2
256.19067	100.0
257.19400	2.2
274.97537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.3001
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
56.89804	0.7
56.96556	1.4
57.07069	5.2
58.06612	1.5
60.08169	17.5
67.17104	0.8
69.64954	1.8
69.65290	1.8
71.08617	3.0
80.94841	1.7
85.10186	1.0
89.05994	0.8
90.63945	0.8
98.97585	9.2
116.98608	6.6
125.39755	0.9
134.99664	2.6
140.00244	0.9
177.85748	0.8
193.45601	1.0
232.96597	1.5
256.26465	5.9
256.29996	100.0
257.30319	3.0
274.97522	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	257.0811
Annotation	Cirrhopetalanthridin
Peak:m/z	Relative Intensity
51.02370	0.7
55.01862	0.9
56.49112	0.4
56.96563	0.8
60.15164	0.4
67.05489	0.5
68.59856	0.3
68.99777	0.6
69.03408	0.6
69.16714	1.3
69.17116	0.8
79.01849	2.1
79.05482	1.0
81.03438	0.5
81.07054	0.7
83.04996	0.4
85.02911	4.9
91.05479	3.0
95.04964	1.0
95.08599	0.5
98.97585	7.6
103.05447	0.6
105.03387	0.8
105.07037	0.9
107.04956	3.7
111.04453	4.4
113.73145	0.4
115.05463	4.5
116.98625	5.5
117.07052	0.6
119.04932	1.5
121.06497	0.4
123.04435	0.8
128.06224	0.7
129.07059	0.7
131.04942	1.4
131.08594	0.4
131.51852	0.4
133.02840	2.1
133.06454	0.6
134.99687	2.3
135.08046	0.3
137.05994	0.9
139.03906	20.5
140.06200	1.1
141.06999	13.7
143.04932	0.6
143.08537	1.0
144.05783	0.4
145.06494	1.5
145.10173	0.6
151.07513	0.4
152.06206	1.4
153.06982	1.6
155.04924	1.0
155.06061	0.5
155.08574	0.5
158.07275	1.2
159.08009	0.8
161.05995	0.7
163.03947	1.1
164.04672	1.4
165.06999	0.8
168.05701	8.4
169.06494	21.7
170.07137	1.2
171.04378	5.2
171.05557	0.7
171.08098	1.1
172.05168	0.3
179.03287	0.4
181.06480	1.7
183.08046	8.4
183.09563	0.6
184.05275	0.7
185.05965	1.7
186.03146	1.3
186.06708	2.3
187.07489	0.5
190.95406	0.7
196.05205	7.8
197.05984	29.8
198.06735	4.5
199.03896	2.6
199.07465	2.2
201.05507	2.5
201.09087	3.0
211.07545	14.6
213.05452	1.9
214.06277	5.3
215.06877	0.3
224.04788	2.1
224.66614	0.4
225.05470	6.1
226.06326	2.1
227.03423	0.9
227.07060	0.9
229.04993	12.0
229.08566	13.7
232.96329	0.4
239.07031	4.9
241.04939	0.5
242.05772	5.3
242.09410	0.5
250.97333	0.5
256.26434	0.6
257.08090	100.0
257.26678	0.5
258.08432	2.9
274.97522	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	257.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92331	0.9
53.03939	1.8
55.01863	1.8
55.05511	1.6
56.96555	1.1
57.65755	0.8
63.76905	0.8
65.03923	2.5
65.56213	0.8
66.04723	1.7
67.01871	1.9
67.05497	1.9
69.03423	1.8
77.03942	1.5
79.05487	10.2
81.07066	5.6
83.01343	10.3
83.04976	2.8
91.05474	18.6
93.07047	2.8
94.04179	4.4
95.04964	5.3
95.08612	2.1
98.97588	7.6
99.04469	1.9
105.03386	2.6
105.04526	1.0
105.07030	4.0
107.04965	3.8
108.05771	0.9
109.06516	51.2
110.14820	0.9
111.04466	1.8
113.05994	3.5
116.98639	4.0
117.19597	0.9
119.04949	8.3
121.06505	18.0
122.03674	2.6
123.04431	1.4
123.08097	3.5
124.05307	1.4
125.06006	1.3
125.59516	0.8
126.06794	1.4
130.94807	0.9
133.05008	1.1
133.06476	2.4
135.08049	1.6
136.05275	1.5
136.08849	1.9
137.05975	70.6
138.06711	1.5
139.03877	1.9
139.07527	2.6
141.05447	4.4
141.09108	1.0
143.07019	1.6
145.06406	1.1
146.68199	0.9
149.05994	2.6
150.03105	4.8
151.07567	2.4
154.06271	3.2
155.07048	4.0
164.04756	1.5
165.05475	54.8
166.05904	1.3
167.03397	4.1
169.04959	24.5
169.08615	7.1
179.07047	13.3
181.04942	2.1
181.06450	1.3
182.05754	11.6
183.06552	2.1
193.04958	86.4
197.08083	80.5
198.08530	1.5
207.06506	1.2
215.14395	0.9
225.07562	100.0
226.07948	1.1
239.09056	4.8
239.14388	0.9
239.18141	1.1
242.09444	1.3
257.09848	32.7
257.15308	14.7
274.97623	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	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74080	0.8
56.96561	10.7
60.05657	7.5
70.06593	53.4
70.14111	2.8
71.06898	0.9
72.08156	14.4
76.58875	0.8
82.06554	1.0
82.99864	1.4
83.00977	5.3
84.04493	2.0
84.08143	7.9
86.09723	1.7
97.07650	13.1
97.20565	0.9
98.06068	1.4
98.22832	1.6
98.97586	50.8
101.00904	1.7
101.01993	4.0
108.04475	1.1
109.32015	0.8
110.07190	2.2
112.03576	6.6
112.08730	2.2
115.08683	1.0
116.98620	22.1
118.04666	2.4
118.07132	1.0
119.01938	3.5
119.03003	1.4
124.99113	1.4
126.06631	1.8
128.05576	1.6
129.10222	4.9
130.04628	3.1
130.93269	1.0
132.06151	1.4
134.06073	0.8
134.99670	7.0
137.05598	1.1
140.06723	2.5
142.08269	5.4
143.00200	2.2
144.03290	1.9
144.05022	1.1
152.06697	3.6
153.09866	1.1
153.11058	1.9
154.08284	4.3
155.06645	9.1
156.05127	1.5
156.07779	1.0
157.10840	1.8
158.07733	1.1
160.09366	2.5
161.01169	1.7
168.06178	3.3
168.10220	2.1
169.09344	13.2
170.06628	6.4
170.07831	2.1
171.06050	1.1
171.10913	27.5
172.09337	6.6
172.10605	1.2
172.94337	2.6
173.01241	1.0
173.07726	15.1
179.06638	3.6
180.05028	2.5
186.07387	1.0
186.11261	2.6
187.10335	6.0
189.11971	18.4
190.95497	1.3
193.05028	1.2
197.07680	100.0
198.06134	8.6
198.07649	2.9
206.03346	1.1
212.13837	1.0
214.95462	1.1
215.08545	75.0
216.07182	5.9
216.08765	3.5
221.08850	1.2
230.08687	1.4
232.96548	2.5
233.10925	9.0
234.02895	3.3
234.10135	1.1
238.10448	1.3
239.09897	65.5
240.15947	1.9
250.97672	1.0
252.03998	6.6
256.96475	3.1
257.10962	42.4
257.15738	6.9
257.18555	2.4
274.97528	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1175
Annotation	Xenognosin A
Peak:m/z	Relative Intensity
55.01861	0.4
58.43080	0.3
65.03938	1.0
67.05495	0.4
71.04984	0.4
78.04710	0.4
79.05482	2.2
81.07046	0.6
83.04975	0.5
89.06037	0.5
91.05480	48.0
92.05809	0.9
93.07044	0.8
95.04971	1.7
95.08605	0.5
99.04423	0.4
103.05452	1.9
105.07034	12.0
105.07743	0.8
107.04954	5.4
108.05731	0.8
109.06526	1.6
111.04439	4.6
113.06013	0.6
115.05469	1.1
117.07062	0.8
119.04945	57.1
120.05241	0.8
121.02894	1.3
121.05644	0.2
121.06503	7.3
122.74705	0.4
124.05202	3.7
125.06016	0.4
129.07010	0.5
131.04921	0.8
131.08597	0.4
133.06490	13.9
135.04414	1.1
135.08090	3.3
137.05978	5.7
138.06747	3.9
139.07541	11.3
141.06927	0.5
145.06488	4.3
148.05190	1.3
149.04845	0.7
149.05986	8.9
151.07536	4.1
153.06952	1.3
154.07768	1.5
155.08536	1.0
157.06522	2.1
159.08089	2.4
163.07542	2.5
164.08340	4.5
165.05635	0.6
165.06979	4.4
166.07790	1.7
167.08592	1.3
169.06471	0.8
169.10081	0.6
171.08014	1.2
177.07031	0.9
178.07886	0.9
179.08594	1.3
181.06464	4.1
182.07274	3.8
183.08067	2.0
185.06012	0.5
186.10483	0.5
193.06451	1.2
194.07289	1.2
195.08043	1.5
196.08826	0.4
197.06082	0.4
197.09624	6.4
199.07483	2.8
200.08224	0.4
201.09073	0.5
207.08020	0.5
208.08733	0.4
209.06029	1.4
210.06763	3.3
211.07552	3.3
213.09160	1.6
214.09792	0.5
224.08353	1.3
225.09085	5.9
226.09860	3.5
227.06964	2.8
229.12227	1.4
241.08574	1.3
242.09378	5.9
257.11728	100.0
258.12085	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	257.1173
Annotation	Xenognosin A
Peak:m/z	Relative Intensity
51.15612	0.4
55.01879	0.8
65.03940	1.2
67.05508	0.4
77.03944	0.4
79.05502	2.4
82.27616	0.4
83.04987	1.0
85.00894	0.3
89.06013	0.8
91.05482	54.9
92.05791	0.6
95.04961	1.3
98.97591	2.2
103.05472	2.4
105.04522	0.6
105.07030	13.0
107.04948	6.3
108.05750	0.9
109.06532	1.9
111.04453	6.0
113.06001	1.0
115.05505	0.5
116.98650	0.8
119.04945	65.4
120.05275	1.0
121.02859	1.5
121.06516	8.2
123.04510	0.7
124.05222	4.2
125.06033	0.5
130.34483	0.4
131.04930	1.0
133.02882	0.7
133.06496	15.5
135.04417	1.1
135.08072	4.4
137.05981	5.8
138.06766	4.6
139.07539	12.7
141.06985	0.5
143.08557	0.5
145.06470	4.1
147.08070	0.5
148.05101	0.9
149.05988	9.7
151.07549	4.3
153.06906	1.0
154.07790	0.9
155.06021	0.5
155.08496	0.6
157.06458	1.5
159.08060	2.8
161.05945	0.5
163.07561	3.0
164.06265	0.7
164.08348	5.1
165.05608	0.6
165.07008	4.5
166.07773	1.4
167.08531	0.9
169.06523	0.9
169.10229	0.7
171.08105	0.7
176.06241	0.4
177.06932	1.0
178.07756	1.1
179.08553	2.2
181.06458	4.5
182.07259	4.6
183.08032	1.7
193.06491	1.4
194.07263	1.6
195.08083	1.0
196.08850	1.0
197.05974	0.6
197.09627	7.1
199.07558	2.6
207.07979	0.6
209.05986	1.5
210.06743	3.8
211.07527	4.5
213.09093	1.6
214.09821	0.5
224.08322	2.0
225.09102	7.4
225.11241	0.6
226.09897	4.8
227.06985	3.3
229.12216	1.3
239.10619	1.0
241.08545	1.4
242.09360	8.5
257.11728	100.0
258.12146	3.1
274.97617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1172
Annotation	Xenognosin A
Peak:m/z	Relative Intensity
50.58826	0.5
52.97387	0.5
55.01865	0.8
58.88980	0.4
60.21890	0.5
65.03942	1.0
69.38976	2.7
77.83108	0.5
78.04687	0.5
79.05490	2.3
83.04979	0.6
89.96922	0.5
91.05477	60.0
92.05795	0.6
93.07028	0.5
95.04976	2.0
95.88352	0.6
98.22745	0.7
98.97574	1.3
103.05466	2.2
105.04495	0.5
105.07026	15.1
107.04948	7.0
108.05753	0.9
109.06510	2.1
111.04451	7.0
113.05997	0.8
115.05473	0.6
116.98630	0.6
117.06956	0.6
117.39215	0.6
119.04940	69.7
121.02872	1.4
121.06498	8.3
124.05211	4.7
125.06001	0.5
128.80418	0.6
131.04915	1.0
133.06488	18.8
135.04395	0.7
135.08043	4.5
137.05972	6.5
138.06761	4.0
139.07542	13.1
141.77165	0.5
145.06491	4.2
148.05173	1.4
149.05988	11.1
149.07201	0.9
151.07550	5.1
152.06194	0.7
153.06949	0.9
154.07784	1.2
157.06461	2.1
159.07994	3.0
163.07578	3.3
164.08342	5.7
165.06995	4.8
166.07764	1.6
167.08580	1.1
169.10252	0.5
171.08070	0.8
175.46387	0.5
177.07025	0.6
178.07825	1.2
179.08589	2.0
181.06509	4.6
182.07272	4.6
183.07996	2.1
193.06465	1.7
194.07286	1.4
195.08011	1.4
196.08803	1.1
197.09602	7.9
199.07562	2.9
207.08112	0.8
209.05975	1.2
210.06741	4.8
211.07542	4.3
212.08299	0.8
213.09082	1.4
214.09801	0.8
224.08372	0.8
225.09108	6.7
226.09874	5.1
227.06956	2.4
229.12289	1.6
241.08589	1.4
242.09360	9.6
257.11713	100.0
258.12054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1173
Annotation	Xenognosin A
Peak:m/z	Relative Intensity
55.01859	1.0
56.96561	1.6
61.59512	0.5
63.45688	0.4
65.03932	0.8
65.12936	0.4
69.46894	0.4
69.79010	1.0
69.79392	0.8
75.95331	0.4
76.67348	0.4
79.05504	2.4
79.39663	0.4
81.07042	0.6
83.04981	0.7
86.09682	0.5
89.06020	0.8
91.05479	56.7
92.05800	0.8
93.07034	0.4
93.53496	0.4
95.04960	1.6
98.97586	10.8
103.05447	2.2
105.04502	0.7
105.07027	15.4
107.04942	6.3
108.05772	0.6
109.06520	1.5
111.04443	5.8
113.06017	1.0
115.05443	0.8
116.98613	7.0
119.04941	69.9
121.02855	1.9
121.06505	8.3
123.04406	0.6
124.05204	3.9
125.05999	0.6
131.04961	0.7
133.06487	15.4
134.99666	2.1
135.04440	0.7
135.08026	4.1
136.59978	0.4
137.05975	6.6
138.06750	4.4
139.07532	12.4
141.06996	0.7
145.06479	3.9
148.05185	1.1
148.78746	0.5
149.05984	9.4
151.07526	5.8
152.06137	0.5
153.07021	1.0
154.07771	1.5
155.08572	0.5
157.06496	1.2
159.07999	2.3
163.07556	2.6
164.08336	5.8
165.06992	4.2
166.07805	1.9
167.08594	1.1
169.10069	0.5
171.08066	1.2
172.94290	0.5
177.07008	0.9
178.07762	0.6
179.08559	1.0
181.06479	4.2
182.07253	4.4
183.08023	2.1
189.13626	0.4
193.06497	1.1
194.07344	0.9
195.08060	1.6
196.08882	0.9
197.09610	6.7
199.07521	2.7
207.07985	0.5
209.05913	1.5
210.06699	3.5
211.07523	3.9
213.09151	0.7
220.99713	0.4
224.08295	1.5
225.09120	5.5
226.09854	4.3
227.07043	2.5
229.12140	1.4
232.96693	1.0
241.08513	1.1
242.09320	7.8
256.96552	1.1
257.11716	100.0
258.11972	2.1
274.97501	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	257.1174
Annotation	Pterostilbene
Peak:m/z	Relative Intensity
53.80346	0.6
55.05495	1.3
56.96560	2.8
57.03416	0.6
58.24595	0.6
61.07904	0.6
63.93153	0.5
67.05501	3.8
67.10566	0.6
69.07041	1.0
69.35538	0.5
69.40974	1.2
69.41361	1.2
79.05475	1.7
81.07067	3.0
83.08620	1.2
91.05490	6.8
93.07043	1.7
95.04964	1.0
95.08612	2.6
98.97586	15.7
103.05415	1.0
105.07030	2.2
107.04942	6.2
108.05724	0.8
109.06526	0.8
109.10168	1.0
111.04512	0.7
114.46661	0.6
116.98619	10.4
117.07023	0.9
118.64357	0.6
119.04968	2.7
119.08588	0.8
121.06519	8.5
123.08070	9.4
129.07004	1.6
131.08566	2.4
133.06468	1.0
133.10130	0.7
134.99663	4.5
135.08067	1.2
137.05952	1.8
139.07616	1.4
140.00124	1.2
141.06941	1.4
143.08566	1.6
145.10117	5.3
147.11668	0.8
151.07549	100.0
152.07956	1.0
153.06947	1.0
154.07846	0.8
155.08568	1.6
157.06493	0.9
157.10136	1.6
158.01237	0.7
159.11700	1.9
163.07570	1.2
165.06955	1.4
166.07764	0.8
167.08591	1.4
168.05769	0.8
169.10130	2.4
171.11731	1.5
173.13307	0.6
176.08347	0.8
178.07784	2.5
179.08554	10.0
181.06465	4.2
181.10016	0.8
182.07317	4.6
183.08047	1.4
183.11693	1.9
185.13448	0.7
190.95418	1.1
194.07263	1.2
195.08070	2.3
196.08820	3.7
197.09618	8.2
197.13284	1.0
199.07590	1.4
206.07262	0.7
207.08002	3.2
208.08774	1.4
209.05966	1.2
209.09631	1.3
210.06699	3.2
211.07527	2.1
211.11177	6.4
214.09764	0.6
215.10553	0.7
223.07600	0.7
224.08324	6.0
225.09111	21.5
226.09866	9.3
227.06975	3.9
229.08556	1.0
229.12262	1.1
232.96387	1.0
239.10645	10.5
239.17970	1.2
241.08591	2.0
242.09390	11.0
256.26263	1.0
256.96490	2.2
257.11734	59.3
257.19110	5.8
258.12115	1.5
274.97525	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	257.1174
Annotation	5-Hydroxy-3,4-dimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.09343	0.2
55.01854	0.4
56.42808	0.2
56.96537	1.2
65.80084	0.2
67.01867	0.3
67.05457	0.2
68.99775	1.1
69.00124	0.2
69.03402	0.5
69.46305	0.9
69.46704	0.5
72.08117	0.3
74.89589	0.3
79.05491	0.3
85.02901	1.7
91.05469	2.8
94.73730	0.2
98.23409	0.3
98.97579	7.7
101.35527	0.3
103.05453	2.1
105.06999	0.4
107.04926	1.1
115.05446	2.8
116.98632	3.4
117.06969	0.5
121.06490	0.4
128.06209	2.9
129.06998	4.5
131.04924	14.1
134.99632	1.5
135.04422	0.7
141.06967	1.1
142.07759	0.3
143.08560	1.1
145.06480	0.9
152.06216	1.4
153.06972	1.5
155.04875	1.9
155.06046	0.8
165.06987	1.2
166.07784	0.6
167.08534	1.2
169.06496	0.7
171.08073	1.0
172.94545	0.2
173.05971	4.2
179.41031	0.2
195.08063	0.3
197.05896	0.6
198.06964	0.3
212.06532	0.2
212.08209	1.3
213.09094	80.5
214.09492	2.0
239.10658	11.2
257.11713	100.0
258.12036	2.5
273.74597	0.3
274.97458	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71997	0.7
56.96568	100.0
58.94461	0.7
69.61665	1.7
69.62051	1.7
72.08167	1.1
81.03391	0.9
84.08142	2.0
86.09705	1.6
96.04503	1.6
97.99181	17.1
98.22665	1.1
98.97587	50.9
99.97312	1.3
99.97902	8.6
103.00641	2.0
112.05087	1.2
116.00209	11.6
116.98623	21.5
117.98974	2.6
121.01691	2.4
124.99096	4.3
126.06646	6.5
127.00710	5.1
130.93277	0.7
134.01242	4.1
134.99655	5.6
136.00031	1.5
136.99101	14.5
137.00148	1.1
137.15343	0.8
143.00131	6.4
145.01718	3.3
152.02287	1.4
155.00159	47.5
161.01163	4.1
166.03470	0.9
170.99628	2.3
172.94414	1.1
173.01228	53.9
186.04346	1.4
189.00739	2.6
191.02277	28.8
196.02913	1.4
198.02844	0.8
198.99153	2.9
207.01729	2.5
209.03333	9.8
214.03836	5.8
217.00224	34.4
217.03493	1.4
221.54050	0.9
231.99980	1.5
232.04886	7.6
235.01257	67.1
236.01558	1.0
240.01820	2.8
244.54434	0.9
250.05908	1.2
253.02277	5.7
257.96857	3.1
258.02930	4.9
258.99762	13.6
259.04291	2.8
265.02026	0.9
275.97842	15.6
276.03906	2.1
277.00797	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	258.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63626	32.3
70.06605	9.7
96.92803	10.5
104.10733	55.3
110.07122	11.4
125.00018	10.3
126.06584	9.8
132.75653	8.6
133.84959	8.9
168.69077	8.3
215.78578	8.7
257.99295	60.1
258.07379	100.0
258.14520	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	30.7
59.06057	6.8
70.04471	19.1
70.06580	26.6
83.97624	11.8
84.40881	6.8
86.09721	15.8
88.62556	6.8
98.06036	12.3
98.97575	20.0
104.10757	18.5
112.05076	11.8
113.11097	7.6
116.98631	8.9
128.00211	20.4
141.12549	6.8
142.09785	9.5
146.01271	28.3
155.99663	12.3
164.02316	22.2
174.00812	10.8
182.03333	13.4
218.06981	10.5
221.84741	7.4
228.05440	8.8
258.07394	100.0
259.04257	23.8
276.07544	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	258.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59816	0.4
55.05509	0.6
56.14781	0.5
57.03431	0.6
67.05166	0.7
67.05508	8.9
68.05034	0.6
69.03428	1.7
69.07078	0.5
69.27675	2.4
70.06596	6.1
71.04968	1.0
79.05488	0.6
81.07049	4.4
83.04958	0.4
84.08122	0.5
85.06535	0.6
86.06070	8.6
87.04467	21.2
91.05457	0.7
93.07029	0.6
95.04977	1.0
95.08606	1.4
96.08121	1.8
97.06502	1.1
98.06055	31.5
99.04447	0.6
109.10163	10.5
112.07613	0.9
116.07068	1.7
119.08589	4.8
124.07600	1.1
126.12810	0.7
136.11227	1.4
137.09615	19.4
138.10065	0.4
154.12253	8.7
155.10654	1.4
163.76111	0.4
172.13344	4.0
194.15428	4.5
222.14890	10.9
240.16006	0.7
258.17004	100.0
259.17334	2.4
273.48059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.4
56.96566	9.4
63.00189	0.1
69.40601	0.6
69.41012	0.3
71.95266	0.6
79.91240	0.2
81.20470	0.1
82.81004	0.2
98.97583	100.0
99.97930	0.3
100.97208	0.2
104.97885	0.1
116.98622	36.3
134.99657	7.0
135.00711	0.2
140.00165	0.6
153.00711	0.3
158.01222	0.2
181.97369	0.3
216.98637	0.4
219.02077	0.4
234.99742	0.7
240.98643	3.9
241.98897	0.2
248.38423	0.1
258.99759	51.0
259.99875	1.8
261.03110	0.5
277.00809	50.5
278.00992	1.9
279.01312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
56.96571	2.2
69.03417	4.8
69.84840	2.8
70.06579	1.1
81.03432	5.6
84.08152	2.0
85.02898	2.7
87.04475	1.6
97.02900	6.0
98.22797	1.2
98.97585	17.1
101.06067	0.9
109.02876	2.5
110.28658	0.9
115.03918	3.0
116.98612	7.7
125.02357	1.8
127.03921	2.0
134.99672	1.7
135.27090	0.9
149.05989	1.2
160.56221	1.1
163.28499	0.8
167.06978	1.3
195.06485	1.2
255.39661	1.0
258.99783	6.6
259.04251	100.0
259.17273	1.3
259.20215	2.0
277.00787	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24831	0.4
51.02374	0.7
51.43678	0.4
53.03949	9.3
55.01875	2.5
57.03435	8.2
59.04992	0.7
61.02938	2.2
69.03429	69.9
69.58165	0.5
69.58494	1.8
70.03768	0.5
70.78040	0.4
71.01363	0.7
71.04626	0.7
71.04993	7.7
73.02918	13.7
81.03417	100.0
82.03749	1.0
83.01342	0.7
83.04990	0.5
85.02904	68.1
86.03262	0.6
87.04469	26.4
90.44574	0.4
91.05480	0.7
97.02893	36.3
97.06510	0.8
99.04456	16.2
99.18544	0.4
101.02376	2.2
107.04977	0.4
109.02879	45.6
115.03930	44.4
115.04559	0.5
115.05238	0.7
116.04271	0.5
127.03915	36.0
128.06235	0.4
129.05469	0.7
129.06990	0.5
131.08501	0.6
133.04977	1.2
141.06935	1.9
143.08461	0.5
145.04958	8.0
145.06332	0.7
147.04398	0.7
157.05052	1.0
157.06448	0.5
159.04326	0.5
159.07971	0.7
161.05936	0.9
163.03844	0.4
169.06445	1.9
173.05965	0.6
175.03969	0.9
175.07542	0.6
185.15033	0.4
187.07564	1.6
189.05406	0.5
197.05894	1.6
200.04663	2.5
213.05507	0.9
215.07034	5.6
241.07005	3.4
259.08072	32.0
259.15036	0.9
260.08344	0.8
260.19977	0.8
274.23129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01877	0.7
55.05521	0.6
56.05034	3.8
56.96561	3.4
57.03415	1.0
67.05496	1.5
69.03432	9.0
69.07092	0.6
70.06583	2.4
70.54891	1.1
71.04996	1.1
72.08150	2.6
73.02918	1.9
74.02441	100.0
76.34668	0.6
81.03416	12.0
81.07023	0.7
83.04985	0.9
83.06101	5.5
84.04504	95.0
84.08143	8.3
85.02905	6.7
86.09705	9.7
87.04462	3.7
93.13576	0.6
95.04911	0.6
97.02886	9.7
98.97591	9.7
99.04451	2.0
101.07184	0.6
102.05573	2.7
109.02877	6.2
110.06051	1.0
113.06004	4.4
115.03936	4.6
116.98626	5.2
117.60699	0.7
118.05356	0.6
122.09652	1.1
127.03940	7.8
129.06595	1.0
129.10246	1.3
130.05002	41.3
130.08640	45.3
132.10202	2.2
133.05058	0.7
134.99641	1.6
143.11766	1.0
144.06624	0.7
145.04910	0.8
147.11293	1.4
150.09138	16.6
157.13316	0.6
168.10271	0.7
169.08598	2.5
171.54811	0.6
172.02821	0.7
173.01068	0.7
194.39273	0.6
196.07820	1.0
196.09682	19.9
196.14476	0.8
197.12880	2.3
218.03389	0.9
234.21039	0.5
235.01306	0.8
241.11826	1.1
242.10233	6.6
242.15053	6.0
242.17526	0.7
243.13379	3.2
258.99936	4.3
259.04147	2.0
259.08078	5.0
259.12891	54.8
260.17093	1.6
260.19635	1.1
277.00790	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	259.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26339	0.5
53.03940	1.7
55.01849	1.3
58.53394	0.5
62.82691	0.5
65.03929	0.8
67.05502	1.0
69.07069	6.7
71.26028	0.6
77.03927	1.9
79.05491	11.9
80.41873	0.6
81.03416	1.5
81.07039	0.7
89.03931	3.0
91.05474	9.8
93.07045	16.4
95.04974	6.6
97.06525	9.8
98.58888	0.5
103.05464	23.4
105.04522	3.4
105.07029	25.9
106.07406	0.7
107.04957	15.2
109.06502	0.8
117.03379	3.6
119.08598	0.7
120.05729	3.6
121.06503	100.0
122.06802	1.3
123.08057	1.3
123.97156	0.6
124.65701	0.6
133.06496	1.5
134.03575	1.4
135.04407	8.3
135.08054	9.8
137.05974	1.2
138.06769	0.7
139.07550	1.8
145.02852	3.4
145.03799	0.5
145.10121	0.9
149.05998	0.7
150.06761	8.1
150.42833	0.6
151.07536	4.7
152.08328	5.1
153.09099	2.0
157.10197	0.8
161.02342	0.7
163.03896	30.1
164.04283	0.6
165.09109	84.3
166.09430	1.8
173.02255	0.7
200.35579	0.6
200.67435	0.6
215.07079	1.2
217.04945	1.7
259.09753	4.7
259.13287	69.0
260.13593	2.4
260.16238	0.9
279.38501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1328
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
50.26339	0.5
53.03940	1.7
55.01849	1.3
58.53394	0.5
62.82691	0.5
65.03929	0.8
67.05502	1.0
69.07069	6.7
71.26028	0.6
77.03927	1.9
79.05491	11.9
80.41873	0.6
81.03416	1.5
81.07039	0.7
89.03931	3.0
91.05474	9.8
93.07045	16.4
95.04974	6.6
97.06525	9.8
98.58888	0.5
103.05464	23.4
105.04522	3.4
105.07029	25.9
106.07406	0.7
107.04957	15.2
109.06502	0.8
117.03379	3.6
119.08598	0.7
120.05729	3.6
121.06503	100.0
122.06802	1.3
123.08057	1.3
123.97156	0.6
124.65701	0.6
133.06496	1.5
134.03575	1.4
135.04407	8.3
135.08054	9.8
137.05974	1.2
138.06769	0.7
139.07550	1.8
145.02852	3.4
145.03799	0.5
145.10121	0.9
149.05998	0.7
150.06761	8.1
150.42833	0.6
151.07536	4.7
152.08328	5.1
153.09099	2.0
157.10197	0.8
161.02342	0.7
163.03896	30.1
164.04283	0.6
165.09109	84.3
166.09430	1.8
173.02255	0.7
200.35579	0.6
200.67435	0.6
215.07079	1.2
217.04945	1.7
259.09753	4.7
259.13287	69.0
260.13593	2.4
260.16238	0.9
279.38501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1331
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
51.02387	0.6
53.03939	1.4
55.01878	2.4
57.03450	0.9
67.05512	1.7
69.03413	1.4
69.07071	6.4
77.03917	3.7
79.05499	13.1
81.03427	0.9
85.02916	0.7
86.80811	0.5
89.03923	2.3
91.05484	11.7
93.07051	17.5
95.04964	6.6
97.06537	38.4
98.23452	0.9
103.04771	0.6
103.05475	19.9
105.04550	2.8
105.07036	24.8
107.04958	13.4
109.06583	0.5
115.05478	0.6
117.03350	3.2
119.05016	0.5
120.05731	3.4
121.06510	100.0
122.06870	1.6
123.08082	1.4
124.05234	0.6
133.02853	1.7
133.06511	1.4
135.04420	3.7
135.08063	9.3
137.05991	0.8
138.06752	0.6
139.07547	2.0
145.02870	2.2
149.05983	1.0
150.06760	8.1
151.07579	4.5
152.08350	5.1
153.09088	2.1
159.04428	2.0
161.02367	5.9
163.03909	17.1
165.09117	78.0
166.09439	1.7
173.02356	16.8
185.05908	1.0
186.85802	0.5
197.05969	0.6
215.07034	18.3
216.07365	1.0
259.09680	10.1
259.13269	68.5
260.13654	1.9
260.16290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1331
Annotation	Stilbostemin D
Peak:m/z	Relative Intensity
53.03941	0.4
53.21505	0.4
53.27185	0.4
55.01868	0.9
55.05488	0.5
57.03431	1.3
63.68544	0.4
67.05508	2.6
68.99790	1.3
69.03428	1.7
71.46587	0.4
72.08146	1.3
73.06503	0.4
77.03925	0.9
78.04732	0.5
79.05491	9.1
81.07059	1.2
81.77599	0.4
83.01348	1.2
83.08617	0.6
85.02895	0.8
91.05491	6.0
93.07037	1.2
95.04979	2.4
95.08598	6.1
97.02876	1.4
97.35686	0.5
98.25478	0.4
98.97596	0.9
103.05472	7.9
105.04519	1.0
105.07029	32.6
107.04940	1.0
107.08597	0.6
108.05723	1.5
109.06519	1.7
115.05454	0.7
116.01649	0.5
116.98643	0.7
120.05719	4.6
121.06506	67.4
122.06824	1.1
123.08064	7.0
124.05214	0.7
131.14342	0.4
133.06479	7.3
135.08054	85.5
136.08365	1.0
137.05984	5.0
148.54724	0.4
150.09061	0.4
151.07542	100.0
152.07837	1.3
158.74837	0.5
160.03914	0.5
166.07973	0.5
172.94208	0.7
190.26881	0.4
190.95294	0.6
195.11571	0.4
203.13029	0.7
215.10696	1.2
216.07750	0.5
241.12260	2.4
259.09470	1.0
259.10202	1.0
259.13300	24.7
260.13824	0.8
260.16473	2.1
280.79257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.133
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
51.02372	0.6
53.03943	1.0
55.21607	0.4
69.07072	0.4
69.42024	1.4
73.46504	0.4
77.03922	2.4
79.05495	9.7
80.20709	0.3
80.80399	0.4
91.05480	11.1
92.06304	0.4
93.06444	0.8
93.07040	16.3
95.04963	6.3
97.06532	1.7
103.05463	22.0
105.04575	2.3
105.07028	27.3
107.04951	14.0
109.06529	0.8
115.89213	0.4
120.05721	4.6
121.06502	100.0
122.06852	1.4
123.08094	0.7
133.06470	1.5
135.04430	0.6
135.08049	10.0
137.05965	0.5
139.07510	1.9
149.05977	0.8
150.06755	7.9
150.98425	0.4
151.07558	5.8
152.08318	4.3
153.09076	2.8
163.03876	1.2
165.09109	84.8
166.09402	2.0
215.07056	0.6
259.13284	68.0
260.13599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.133
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03944	1.6
54.78006	0.3
55.01868	0.6
58.70381	0.4
60.83509	0.4
67.05524	0.4
77.03921	2.9
79.05497	9.8
91.05479	10.8
92.36007	0.4
93.07050	15.4
95.04980	6.0
97.06512	0.6
103.04757	0.6
103.05471	20.6
105.04524	2.2
105.07031	25.2
106.07355	0.5
107.04249	0.8
107.04956	13.7
109.06509	1.0
118.04184	0.5
120.05728	4.8
121.06509	100.0
122.06768	0.8
123.08056	1.1
124.05333	0.5
133.06496	1.8
135.04373	0.5
135.08063	9.8
137.05965	0.7
138.06720	0.5
139.07544	1.7
149.05981	0.6
150.06770	8.4
151.07544	4.2
152.08330	5.0
153.09087	2.6
163.03955	0.4
165.09119	85.3
166.09441	1.5
183.03502	0.4
218.31113	0.4
259.13300	65.5
260.13614	2.3
260.16092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1333
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
51.02370	0.7
53.03949	1.2
55.01879	0.4
55.05508	0.4
56.96576	0.4
57.06812	0.6
57.07079	7.6
58.06608	0.9
58.07409	1.5
62.06097	4.3
67.05495	0.5
69.59783	1.2
71.08640	2.9
72.08976	0.5
77.03915	2.3
79.05497	9.1
80.05856	0.4
85.10187	1.3
90.09206	0.5
91.05489	11.3
92.06290	0.4
93.07048	16.4
94.07365	0.5
95.04976	6.4
98.97598	0.4
103.05473	23.1
105.04548	2.6
105.07035	25.3
106.07363	0.4
107.04958	15.2
107.08599	0.8
108.05267	0.4
109.06559	0.6
115.05420	0.4
118.04211	0.4
119.04951	0.6
119.08597	0.5
120.05743	4.0
121.06512	100.0
122.06830	1.0
123.08076	1.4
124.05224	0.5
133.06465	2.0
133.10155	0.3
134.07323	0.5
135.04398	0.8
135.08063	9.3
137.05943	0.6
138.06770	0.4
139.07529	1.8
149.05995	0.8
150.06770	7.9
150.07959	0.4
151.07549	4.7
152.08333	5.1
153.09108	2.1
155.93280	0.4
165.09120	83.5
166.09430	1.8
171.11696	0.4
172.94292	0.8
190.95374	0.5
195.95976	0.5
213.96970	0.8
239.13371	0.3
240.26868	0.9
241.27255	2.6
258.27942	21.9
259.13303	59.4
259.20691	1.2
259.28268	41.3
260.13690	1.9
260.16153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.66788	2.1
55.01853	3.0
55.05515	20.3
57.07067	4.5
63.76460	2.4
67.05521	12.0
69.07070	47.2
69.51541	6.3
71.04997	41.1
72.73893	2.4
77.03893	2.8
79.05495	10.0
81.07056	31.8
82.57548	2.2
83.04973	7.0
83.08616	9.9
85.06541	20.2
91.05470	17.9
93.07037	24.1
95.04966	6.9
95.08601	24.7
97.06530	9.4
105.07024	38.4
106.03829	2.3
107.08602	31.0
109.06509	13.0
109.10174	18.8
111.08092	23.5
116.06271	2.8
117.07031	14.5
119.08577	83.8
120.65620	2.6
121.10156	22.4
123.11715	30.1
129.01830	3.8
129.06995	5.0
130.07777	4.3
131.08551	19.7
133.10139	47.5
135.08044	20.6
135.11676	7.0
137.09621	5.1
137.13248	2.7
142.07770	4.9
143.08517	10.5
144.09286	3.3
145.10135	47.4
147.07970	2.5
147.11679	27.6
149.09584	5.3
156.09306	4.6
157.10133	19.1
159.11690	39.6
160.12442	7.7
161.13254	56.1
163.11121	2.9
170.10883	4.4
171.11668	20.1
173.13284	10.5
175.11223	6.1
175.14822	100.0
176.15436	6.5
177.12744	4.0
183.11729	2.3
185.13254	17.8
187.14771	2.6
189.12746	4.5
189.16292	5.1
191.14299	3.1
199.14830	4.8
201.16431	21.6
203.14333	9.9
215.17986	5.2
224.29506	2.4
241.19536	13.4
259.17801	3.5
259.20572	66.8
260.16550	2.5
265.07193	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	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
52.90005	1.0
55.05517	4.0
56.05035	8.2
66.46897	1.0
69.07082	3.2
70.06592	7.6
70.81953	1.5
71.05014	1.0
71.06111	1.2
72.08156	21.6
72.12888	0.8
74.02433	8.6
83.05024	1.2
83.06101	57.6
84.04504	91.9
84.08142	43.6
84.52943	0.9
85.02910	1.2
85.04855	2.9
86.09704	100.0
88.08779	1.6
96.08173	1.6
98.97570	2.1
100.05108	1.1
101.07137	7.7
101.10770	1.1
102.05601	1.3
108.02476	1.2
108.17213	1.0
113.07108	1.5
115.08690	1.5
116.07108	3.7
116.98633	1.2
125.09668	3.3
129.06613	5.2
129.10233	9.8
130.05038	3.3
130.08647	8.5
131.08972	1.7
132.10201	29.9
141.06612	2.6
143.11786	4.6
144.06544	10.9
147.07780	1.2
147.11276	10.2
152.10680	2.5
153.09126	2.1
154.12111	1.1
157.13382	6.7
158.09293	1.2
161.09227	10.9
161.12756	1.1
168.10190	3.3
171.11305	2.6
182.11824	3.3
185.12898	2.5
196.14471	9.0
197.12848	29.6
198.11249	1.9
200.12886	1.7
203.14986	1.8
204.56845	1.0
215.11505	1.2
218.03383	1.0
225.12357	1.9
242.15016	69.9
243.13365	38.6
243.17145	1.7
260.17075	10.2
260.19617	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	260.1646
Annotation	Huperzine E
Peak:m/z	Relative Intensity
52.51631	0.1
55.05513	0.6
56.96560	0.3
58.62308	0.1
58.96433	0.1
67.05159	0.2
67.05505	3.5
69.46645	0.2
69.47034	0.4
70.92385	0.1
71.04996	4.2
72.08146	0.3
80.05020	0.6
82.06569	0.2
90.09206	0.2
91.05474	0.7
93.07040	1.4
94.06566	0.4
95.08014	0.3
95.08610	4.8
98.22707	0.3
98.97568	0.2
99.04459	7.1
104.04977	0.2
105.05756	0.2
105.07038	0.1
106.06560	0.6
117.05791	0.3
117.07053	0.2
118.06535	0.5
119.07310	0.3
120.08103	1.8
121.08899	0.3
122.09686	0.6
123.10474	0.2
130.06532	1.0
131.07304	0.5
132.08089	2.8
133.08890	1.7
134.09659	0.8
136.92142	0.2
144.08070	3.0
145.08835	0.4
146.09648	4.3
148.07596	0.3
150.09216	0.2
154.93217	0.3
156.08118	0.3
157.08875	0.6
158.09650	7.0
159.10425	2.7
160.07574	2.2
160.11209	2.3
161.11983	0.7
162.12830	1.1
164.95537	0.2
170.09665	1.4
171.10426	1.1
172.11217	39.2
172.94305	0.4
173.11821	1.0
174.12788	2.6
178.08662	0.8
180.10234	0.2
184.11205	2.6
185.12032	1.6
186.12776	7.7
187.13562	16.2
188.10625	0.2
188.14120	0.5
190.95351	0.3
195.95901	0.3
198.12817	0.5
199.13600	0.8
200.10771	0.2
200.14351	0.3
203.13118	0.2
204.10251	0.3
212.14362	0.5
213.96991	0.3
214.15907	23.9
215.16377	0.8
218.11766	2.7
224.14403	0.3
232.13254	0.2
236.98557	0.3
242.15413	3.5
259.28308	1.2
260.16455	100.0
261.16803	2.7
277.82693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.197
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.05512	0.5
56.05038	2.2
56.96569	0.7
67.05503	1.0
69.03448	0.4
69.07057	1.0
69.50077	0.8
69.50472	0.4
70.06584	1.9
72.08157	3.2
73.13503	0.3
73.45042	0.3
83.06112	0.6
84.04514	2.7
84.08144	100.0
85.06511	0.3
85.08485	1.2
86.09187	0.7
86.09708	12.9
87.09994	0.4
98.97588	0.9
101.00915	0.7
101.10791	2.9
102.09160	0.3
115.08716	0.4
116.07126	0.7
116.98631	0.4
119.01907	1.3
129.10242	13.7
130.05000	3.7
130.08633	6.2
132.10251	0.4
141.10199	0.3
144.10196	2.7
147.07655	4.7
147.11282	8.8
152.14330	0.4
158.09138	0.3
161.12865	2.4
173.09189	0.4
183.12704	0.3
203.14951	0.5
210.04433	0.3
215.04099	1.5
225.15912	0.5
233.05208	0.5
242.18677	1.3
242.40776	0.3
243.13332	0.5
243.17038	7.5
259.99078	0.6
260.17099	3.2
260.19681	25.4
261.02890	0.6
261.19958	0.4
278.01221	0.3
278.04401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0284
Annotation	D-Galactose 6-sulfate
Peak:m/z	Relative Intensity
51.88614	0.5
55.11722	0.5
55.68766	0.5
56.96566	51.6
69.93794	1.1
70.32207	0.5
71.95264	1.0
72.96040	1.3
84.08163	1.3
84.96030	1.9
86.09686	0.6
88.75804	0.5
98.97581	12.8
102.96868	1.9
106.98090	0.8
108.94596	0.5
108.99640	0.7
110.97567	1.2
116.98607	5.6
119.01942	0.6
124.99131	1.0
127.00684	5.5
129.02222	0.9
134.99576	0.8
136.19792	0.5
136.99110	0.6
139.00652	3.0
145.01704	1.5
149.11699	0.5
155.00150	38.6
156.00523	0.5
157.01735	6.0
170.99698	0.7
173.01225	100.0
174.01599	1.7
175.02805	10.8
182.99617	2.6
189.00708	0.8
191.02275	58.6
192.02579	1.5
193.03824	2.5
196.02895	0.9
201.00711	17.3
201.56432	0.6
209.03395	2.9
209.99524	1.5
215.02245	1.4
215.04156	0.9
219.01770	84.3
220.02185	1.9
228.97136	0.9
233.03299	2.4
237.02823	47.0
238.03036	0.6
242.03468	0.8
243.01787	3.7
246.99670	2.3
255.03979	1.1
256.00162	0.5
260.95984	0.8
261.02850	14.4
261.05624	1.5
278.96851	1.8
279.00311	0.6
279.03857	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0309
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
52.11505	0.1
56.96568	1.5
60.95823	0.1
61.50930	0.1
69.81034	0.4
69.81372	0.1
82.99892	0.5
98.97582	12.9
99.97922	0.4
100.97192	0.6
100.98016	0.3
101.00887	4.1
102.00946	0.2
102.96869	0.5
108.16411	0.1
116.98624	5.9
117.98970	0.3
118.98236	0.2
118.99027	0.3
119.01922	6.3
120.01973	0.2
120.97891	0.1
122.97803	0.1
131.31453	0.1
134.99687	1.9
137.02951	0.7
140.98792	0.8
153.00826	0.3
158.99879	2.4
165.99632	0.3
175.02997	0.4
177.00946	14.0
178.01045	0.7
182.99832	0.9
199.02992	0.2
200.02693	0.2
201.00935	3.1
202.00993	0.3
217.04095	2.9
218.04276	0.2
219.02002	19.6
220.02142	1.0
221.02428	0.2
225.00839	2.7
225.02882	0.1
227.99522	0.1
237.98732	0.5
238.98351	0.2
243.01996	13.0
244.02112	0.8
260.99832	5.1
261.03043	100.0
262.03201	6.0
262.33365	0.1
263.03256	0.5
266.03748	0.1
278.97070	0.3
279.00592	6.1
284.04703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.2
55.05511	17.9
56.05023	3.5
57.07071	8.5
58.06594	1.7
58.99591	16.1
61.01145	8.7
67.05483	2.5
69.07071	2.4
70.06585	5.9
70.59846	3.0
73.01128	9.4
74.00658	6.5
76.02242	2.9
76.04007	2.2
79.05489	7.1
81.07056	22.2
82.06573	3.3
83.08613	18.1
84.04528	9.2
84.08109	2.2
85.01128	6.0
86.99068	5.1
87.04479	3.1
88.02207	6.1
88.07629	3.4
93.07058	2.0
95.08592	3.8
98.09685	5.4
98.97586	2.1
99.02684	8.4
100.11258	47.8
102.09143	2.1
107.08591	4.0
112.03972	15.6
112.11235	13.0
112.11899	1.7
113.16702	1.7
115.05789	14.9
116.01684	27.0
116.05324	20.5
116.98631	1.8
117.56831	1.9
124.11224	4.5
130.05029	8.7
130.40970	1.7
141.07317	13.4
144.01115	6.1
158.09991	85.3
158.11769	53.2
162.02223	13.3
174.02400	2.2
200.20129	5.9
244.10016	52.7
244.12540	2.6
261.12711	100.0
261.16992	4.4
261.22391	4.5
262.23730	13.8
278.96823	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03946	1.4
55.01850	0.5
55.05265	0.7
55.05512	10.1
56.00552	0.4
57.03428	1.0
57.07074	3.3
58.90686	0.5
65.03947	1.2
67.05502	28.9
69.06712	0.6
69.07067	8.7
69.22840	3.0
71.04974	2.1
71.08601	1.0
72.05750	0.5
77.03911	1.1
79.05489	42.1
81.07053	33.2
81.50259	0.4
83.04974	0.7
83.08609	5.1
85.06535	1.8
91.05474	19.9
93.07039	58.6
95.04970	3.6
95.08599	27.2
96.92175	0.6
97.06535	1.5
97.10167	2.1
98.98474	0.9
99.08081	1.9
105.04486	1.9
105.07027	13.3
107.08590	37.3
108.49696	0.6
109.06508	1.7
109.10149	10.6
111.08059	1.8
113.09617	1.0
117.07032	5.4
119.06056	0.8
119.08573	11.3
121.10138	31.4
123.08073	0.9
123.11706	3.7
130.08617	0.5
131.08557	9.2
131.09470	0.8
133.10126	9.3
135.11688	29.5
137.09657	0.6
137.13205	0.9
145.10098	10.6
147.11679	8.6
149.13249	20.6
149.14455	1.0
151.11142	0.7
151.14735	0.6
153.12715	1.1
159.11693	8.9
161.13257	9.1
163.14809	11.4
164.54828	0.5
165.12769	1.3
167.14336	0.5
173.13235	6.6
175.14841	3.2
177.16365	3.3
179.14272	1.2
187.14799	4.8
193.15742	0.6
201.16331	2.1
205.15942	0.7
215.17963	1.1
219.17490	0.8
233.22623	1.0
243.21080	21.5
244.21384	0.8
261.22119	100.0
262.22430	2.0
262.25061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03942	1.5
55.05303	0.8
55.05514	9.8
56.96563	0.7
57.03431	1.1
57.07063	2.9
65.03924	1.3
67.05506	34.8
69.07066	9.4
69.14632	4.6
71.04987	2.0
71.08620	1.5
78.04698	0.7
79.05494	47.3
80.05814	0.7
81.07057	33.4
83.08626	5.6
85.06525	3.0
85.10155	1.7
91.05482	24.8
92.45850	0.6
93.07046	60.1
95.04980	4.5
95.08607	26.6
95.75375	0.7
97.06513	2.5
97.10161	1.8
99.08096	3.1
105.04533	1.9
105.07037	15.6
107.08595	35.7
109.06520	2.1
109.10169	9.8
111.08071	2.1
113.09634	2.0
117.07026	4.3
119.08587	13.1
121.06510	2.1
121.10148	35.1
123.08078	1.5
123.11703	3.8
125.09703	0.7
129.06976	0.8
131.08562	12.4
133.10130	12.9
135.08093	1.3
135.11697	25.8
137.13219	1.1
139.11176	0.9
145.10149	10.1
147.11688	8.4
149.09636	1.6
149.13246	17.5
151.11209	0.8
151.14792	0.9
159.11716	8.2
161.13257	8.4
163.14816	11.1
164.44432	0.6
165.12769	1.5
173.13263	7.2
175.14821	2.9
177.16388	3.5
179.14319	1.3
187.14850	5.9
191.14217	0.8
201.16394	2.4
215.17993	1.0
233.22705	1.5
243.21094	24.1
244.21481	0.9
261.13083	1.9
261.22141	100.0
262.18048	1.2
262.22433	3.1
262.25000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
53.03942	1.8
53.22535	0.7
53.93973	0.9
55.05510	11.4
56.96560	0.7
57.03439	1.9
57.07064	2.6
65.03947	1.1
67.05507	30.7
69.07066	10.8
71.04988	2.0
71.08620	1.2
77.03900	1.0
79.05494	43.9
81.07060	35.0
83.08626	5.8
85.06549	2.2
91.05020	0.6
91.05478	22.4
93.07047	60.8
95.04993	3.6
95.08604	26.2
97.06520	2.5
97.10183	2.4
98.22708	2.3
99.08111	1.5
105.04528	2.1
105.07035	12.5
107.08595	34.3
109.06518	1.7
109.10159	12.3
111.08073	2.7
117.07012	3.2
119.08578	12.2
121.10144	31.5
123.11720	2.1
125.09675	1.0
131.08571	11.7
133.10144	10.0
135.11694	24.8
137.09607	1.3
137.13307	1.1
145.10135	10.2
147.11688	8.8
149.13255	21.6
159.11716	8.7
161.13254	7.8
163.11255	0.9
163.14825	10.4
165.12726	1.0
173.13255	8.1
175.14799	3.5
177.16449	2.3
179.14427	1.0
187.14793	4.8
201.16367	2.4
215.17876	1.3
217.19637	1.0
219.17297	0.9
233.22728	1.2
243.21106	17.6
261.12985	2.4
261.22147	100.0
262.22418	2.5
262.25223	0.9
264.16122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01860	0.5
55.05511	9.3
57.03436	1.2
57.07079	2.7
65.03937	1.6
67.05505	30.0
69.07068	9.5
69.22327	1.8
71.04992	1.6
71.08627	1.3
77.03930	1.2
78.31310	0.4
79.05494	44.3
81.07056	33.9
82.07430	0.6
83.04988	0.8
83.08617	5.9
85.06530	2.3
91.05479	20.7
92.05805	0.4
93.07046	57.7
94.07386	0.4
95.04970	3.6
95.08607	26.4
97.06520	2.7
97.10187	2.0
99.08113	2.3
105.04514	1.5
105.07032	15.0
107.08594	39.9
109.06515	1.5
109.10149	11.5
111.08088	1.5
117.07020	5.3
119.06074	0.5
119.08585	12.0
120.08106	0.8
121.10149	33.1
123.08088	1.4
123.11693	2.9
125.09623	0.7
131.08571	9.9
133.10124	10.7
135.11690	28.3
137.09636	0.8
137.13258	1.1
145.10126	10.5
145.11234	0.8
147.11690	8.1
149.13260	21.2
150.13625	0.5
151.14755	1.0
153.12749	0.6
159.11702	7.3
161.13252	8.6
163.11191	0.6
163.14821	14.3
165.12776	0.8
167.14221	0.5
169.73654	0.4
173.13255	8.2
175.14841	3.5
177.12782	0.5
177.16391	3.0
179.14311	0.7
184.67999	0.4
187.14827	5.6
189.16412	1.1
191.14369	0.7
195.41255	0.4
201.16452	2.0
203.17976	0.5
205.15831	0.5
215.17950	1.2
217.19518	0.8
219.17424	0.7
233.22667	1.1
243.21088	21.3
244.21388	0.7
261.22134	100.0
262.22388	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
54.37403	0.3
55.01874	1.1
55.05511	15.8
57.03439	1.6
57.07075	5.8
65.03928	1.9
67.05503	47.8
68.05867	0.4
69.07066	13.1
69.19669	1.9
71.04993	2.2
71.08636	3.6
77.03909	2.4
79.05492	78.3
80.05833	0.7
81.07055	52.8
83.04968	1.6
83.08619	7.7
85.06544	3.8
85.10190	1.9
91.05478	35.3
92.05786	0.4
93.07043	99.0
94.07374	1.2
95.04967	9.3
95.08604	37.4
95.90155	0.4
96.08958	0.5
97.06528	3.8
97.10159	2.6
98.97580	0.5
99.08091	3.9
103.05463	0.5
105.04514	3.4
105.07026	21.9
106.28708	0.3
107.04922	0.4
107.08591	54.6
108.08868	0.4
109.06526	2.4
109.10153	13.9
111.08105	2.3
113.09644	2.0
115.05415	0.4
116.06259	0.4
117.07010	9.0
119.06123	0.7
119.07900	0.3
119.08581	15.9
121.10143	41.2
122.10474	0.4
123.08067	2.1
123.11706	4.7
125.09614	0.9
129.07005	0.8
129.55847	0.3
130.07784	0.7
131.08566	20.3
133.10129	11.8
135.08054	0.8
135.11690	31.1
136.11989	0.4
137.09616	0.9
137.13210	1.7
139.11229	0.7
143.08537	0.5
144.09299	0.4
145.08960	0.7
145.10123	16.6
147.11688	11.8
149.09641	1.9
149.13254	24.0
151.11134	0.7
151.14827	1.2
153.12732	1.1
157.10141	0.6
159.11696	10.2
161.13251	9.7
163.11162	1.0
163.14816	16.8
165.12743	1.0
165.16370	0.6
167.14368	0.5
171.11650	0.8
173.13257	11.5
175.14845	4.5
177.12727	0.7
177.16374	5.7
179.14276	1.7
187.14815	7.2
189.16386	1.0
191.14357	0.6
193.15831	0.4
201.16414	2.9
203.18118	0.5
205.15904	0.9
215.17911	1.5
217.19505	0.8
219.17442	1.3
233.19142	0.4
233.22639	2.1
243.21083	27.7
244.21352	0.8
261.22128	100.0
262.18179	0.6
262.22519	3.3
271.53543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
52.50718	0.1
53.79511	0.1
58.05447	0.1
69.64588	0.5
70.06583	0.5
81.07038	0.1
82.06556	0.2
83.07372	0.1
84.08150	0.2
93.07038	0.2
95.08576	0.2
96.08128	0.1
97.06519	0.2
98.22770	0.3
107.08575	0.2
108.08092	0.3
116.07066	0.8
120.08134	0.8
122.09670	0.2
123.67986	0.2
126.13191	0.2
134.09631	0.3
136.11227	0.8
138.12791	0.9
139.07509	0.5
146.09666	0.2
148.11188	0.2
150.09090	0.1
162.09119	0.2
166.12277	0.2
174.12703	0.2
176.14485	0.2
183.54073	0.2
184.13333	0.7
188.10725	0.3
188.14348	0.2
190.12367	0.2
191.13049	0.3
208.50693	0.2
216.13818	0.2
216.17345	0.2
220.16980	3.2
234.18518	2.1
244.16972	6.8
254.15604	0.2
262.18002	100.0
263.14240	0.2
263.18320	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	262.2377
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
50.90178	0.3
52.81014	0.2
55.05514	0.3
57.06817	0.5
57.07078	6.5
58.06599	1.0
59.97731	0.3
67.05492	0.3
68.04642	0.2
68.05021	0.4
69.03433	0.7
69.16792	1.5
70.06592	15.2
71.08635	3.8
72.08161	0.5
72.81164	0.3
74.06087	0.4
81.07044	0.4
84.08138	0.3
86.09702	0.4
87.04571	0.2
88.07632	22.1
91.05464	0.5
95.04970	0.6
95.08620	0.3
96.08143	0.4
98.23384	0.4
102.09180	12.8
109.06498	0.4
110.06868	0.3
111.08092	1.1
114.32990	0.2
124.11217	0.6
124.16180	0.2
125.54153	0.2
131.08502	0.2
132.10193	1.7
137.05986	0.4
138.12762	0.7
146.11755	0.8
150.11232	1.6
156.17529	1.5
165.05528	0.6
176.14377	0.4
200.20093	44.2
201.20427	1.0
234.18591	1.5
242.50673	0.3
244.22749	2.9
257.26508	0.3
262.17978	11.3
262.23764	100.0
263.09229	1.4
263.18353	0.6
263.24124	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	262.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
57.07077	7.0
58.06607	1.4
60.04535	0.3
68.05042	0.3
69.98616	0.6
70.06593	16.5
71.08630	4.3
72.08144	0.2
84.08138	0.4
88.07632	26.2
89.07961	0.4
102.09180	14.7
110.13302	0.2
114.09195	0.3
114.51637	0.2
114.66182	0.2
122.11760	0.2
132.10214	1.3
146.11761	0.8
150.11264	1.0
156.17467	1.4
176.14339	0.3
195.07845	0.2
200.20097	48.8
201.20493	1.2
218.21120	0.2
224.69150	0.2
244.22728	3.4
262.23767	100.0
263.24112	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	262.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
57.07076	6.7
58.06601	1.5
58.21158	0.2
68.05034	0.2
69.07063	0.2
69.30753	0.6
70.06594	16.0
71.06936	0.2
71.08634	3.8
72.08159	0.4
74.06084	0.2
80.72331	0.2
84.08138	0.5
84.99343	0.1
86.09698	0.2
88.07633	23.7
89.07961	0.3
93.01978	0.2
102.09183	14.2
103.09510	0.2
132.10181	1.4
132.36049	0.1
146.11786	0.9
150.11253	1.1
156.17505	1.7
174.18547	0.3
176.14265	0.2
200.20100	48.2
201.20441	1.2
218.21144	0.3
244.22749	3.5
262.23770	100.0
263.24078	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	262.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	6.8
58.06598	1.5
61.85587	0.3
64.64853	0.3
68.05012	0.3
69.03416	0.7
69.07063	0.4
69.34012	1.9
70.06592	16.5
71.08635	3.7
72.08144	0.7
84.58765	0.3
88.07629	24.0
100.23848	0.3
102.09173	14.5
111.08092	0.7
124.11278	0.5
132.10196	1.5
135.91663	0.3
138.12785	0.5
146.11790	0.8
150.11188	0.7
156.17430	0.7
174.18546	0.5
200.20090	47.1
201.20435	1.1
234.18541	0.5
244.22772	2.9
262.18097	6.4
262.23758	100.0
263.09204	0.8
263.24158	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	262.2378
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
54.71899	0.5
57.06825	0.6
57.07080	7.7
58.06587	1.6
62.21085	0.4
63.04188	0.4
69.07047	0.7
69.59761	1.3
70.06596	17.2
71.08633	3.6
79.45487	0.4
82.71593	0.4
88.07635	25.5
98.22663	0.8
102.09187	13.6
132.10237	0.7
133.86371	0.5
146.11722	0.8
156.17538	1.2
156.47215	0.4
200.20099	47.1
201.20436	1.0
244.22798	3.0
262.18100	5.2
262.23776	100.0
263.24106	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15035	9.8
54.51416	8.4
69.65678	36.7
88.03834	9.9
91.98499	9.1
96.81107	10.5
117.78172	10.1
119.01907	22.1
143.01920	24.8
155.01921	10.5
161.02933	60.6
168.05070	11.5
173.02905	11.2
191.04066	14.8
195.20029	9.7
203.04054	19.1
263.01675	100.0
263.06143	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41577	2.6
54.14240	2.6
59.13942	3.0
60.04539	4.6
60.05627	3.9
65.72162	2.7
70.06584	13.1
70.59007	5.8
85.02897	6.1
90.62075	2.8
100.12601	3.4
101.00890	25.1
113.00861	7.2
116.07033	4.6
119.01917	34.9
120.51027	3.0
121.01651	4.7
127.02425	4.2
131.01927	20.7
134.94107	2.8
137.02930	2.9
143.01889	59.5
145.03438	11.8
155.01886	13.1
157.03532	4.4
161.02960	100.0
168.05064	12.1
173.02959	30.6
185.02982	4.7
186.06178	4.5
191.04024	19.0
203.04031	28.0
214.80678	3.0
217.03787	3.3
221.05038	4.2
221.55316	3.2
233.04919	3.5
244.53485	3.2
262.15002	21.9
262.94730	5.0
263.01746	30.3
263.06097	54.9
263.15530	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	263.053
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25821	1.1
68.16156	1.0
70.03880	2.0
70.04219	1.5
82.99867	3.6
101.00885	31.9
113.00866	9.3
115.02448	1.2
119.01921	24.9
120.02020	1.1
122.62810	0.9
131.01904	17.3
137.02895	1.2
143.01904	68.1
144.02110	1.6
149.02954	1.4
153.41617	0.9
155.01897	17.6
157.03493	2.2
161.02962	100.0
162.03175	3.3
167.01932	1.8
168.32108	1.0
173.02974	34.4
173.13953	1.0
179.03986	1.3
184.04601	1.4
185.03021	5.7
191.04045	16.8
197.02980	1.6
203.04028	25.1
203.05896	2.0
221.05128	5.0
233.05177	2.3
245.05203	1.2
263.01819	8.1
263.06073	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	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63607	0.2
65.15329	0.2
70.99888	0.3
82.99812	2.8
83.57516	0.2
85.02904	0.4
86.99316	0.6
89.00938	0.3
98.97575	0.3
101.00881	26.4
102.00969	0.8
105.00388	0.5
112.89610	6.0
113.00846	2.5
114.89345	3.2
119.01922	27.6
120.02045	0.7
131.01901	4.5
133.03487	0.3
137.02946	1.6
143.01900	59.4
143.17644	0.3
144.02026	1.7
145.03407	0.4
149.02994	0.3
155.01904	2.3
157.03467	0.8
159.01445	0.2
161.02957	100.0
162.03067	3.0
167.01987	0.4
173.02965	6.4
174.03087	0.3
179.04015	1.6
184.04541	1.3
185.02925	1.8
185.51598	0.2
191.03986	3.4
203.04007	38.2
204.04114	1.1
209.25850	0.2
221.05089	2.4
239.98415	1.4
245.04924	0.5
246.87697	0.2
253.73592	0.3
263.02890	1.7
263.06067	9.8
264.06342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63607	0.2
65.15329	0.2
70.99888	0.3
82.99812	2.8
83.57516	0.2
85.02904	0.4
86.99316	0.6
89.00938	0.3
98.97575	0.3
101.00881	26.4
102.00969	0.8
105.00388	0.5
112.89610	6.0
113.00846	2.5
114.89345	3.2
119.01922	27.6
120.02045	0.7
131.01901	4.5
133.03487	0.3
137.02946	1.6
143.01900	59.4
143.17644	0.3
144.02026	1.7
145.03407	0.4
149.02994	0.3
155.01904	2.3
157.03467	0.8
159.01445	0.2
161.02957	100.0
162.03067	3.0
167.01987	0.4
173.02965	6.4
174.03087	0.3
179.04015	1.6
184.04541	1.3
185.02925	1.8
185.51598	0.2
191.03986	3.4
203.04007	38.2
204.04114	1.1
209.25850	0.2
221.05089	2.4
239.98415	1.4
245.04924	0.5
246.87697	0.2
253.73592	0.3
263.02890	1.7
263.06067	9.8
264.06342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.139
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
63.50283	0.3
70.06590	33.4
72.79567	0.3
84.08116	0.3
86.09724	0.4
91.05488	0.7
93.07053	2.4
95.04966	0.4
98.23507	0.8
103.05466	6.1
104.97843	0.4
104.99280	0.8
114.05524	0.6
116.07087	83.7
117.07452	0.7
120.08099	100.0
121.08442	1.7
135.88423	0.4
147.18982	0.4
154.10912	0.3
160.92226	0.4
246.11363	0.5
263.13913	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	1.6
55.05508	13.1
57.03426	2.0
57.07076	12.0
65.03931	2.6
67.05502	85.8
68.33421	0.9
69.07060	16.6
69.25196	4.6
71.04979	2.6
71.08632	5.2
75.37598	0.8
79.05488	19.6
81.07055	99.4
82.07374	1.1
83.04957	1.7
83.08623	13.3
85.06535	3.3
85.10185	2.6
90.89037	0.8
91.05477	20.0
93.07040	21.9
95.04966	2.5
95.08601	85.2
96.08878	1.1
97.06525	7.9
97.10160	7.0
99.08110	4.5
104.98589	1.9
104.99267	25.1
105.04534	1.0
105.07012	10.0
107.08588	12.8
109.06489	2.2
109.10151	48.2
111.08076	4.5
111.11723	1.8
113.09619	2.5
116.43967	0.9
119.08578	11.2
121.10140	17.2
123.08044	2.5
123.11707	20.8
125.09605	1.4
127.11201	2.0
131.08499	0.9
133.10126	16.5
135.11682	9.5
137.09589	2.9
137.13249	10.0
141.12726	2.7
147.11679	7.5
149.13268	9.3
151.11198	1.7
151.14836	6.5
154.96179	1.0
155.14264	1.1
161.13228	10.9
163.14810	6.8
165.16370	9.4
175.14816	8.1
177.16383	2.5
179.17899	2.9
181.15779	1.4
189.16353	3.1
192.44728	1.0
198.66759	0.9
203.17879	1.8
217.19490	1.5
224.01997	1.0
245.22641	33.9
246.22914	1.2
262.98111	1.2
263.23694	100.0
264.00418	1.2
264.24100	3.2
281.91095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
67.85678	0.5
67.98190	1.4
69.25110	3.2
71.95281	0.7
72.96047	1.5
73.38960	0.6
81.04523	0.8
83.97620	2.5
84.72504	0.5
85.99212	0.7
89.16585	0.5
91.05488	0.6
97.62531	0.6
98.23476	1.1
98.97586	17.4
116.60152	0.5
116.98628	6.7
122.07152	6.7
134.99680	1.3
144.04842	1.5
144.96892	0.8
149.02748	1.6
149.99896	0.7
151.00671	0.6
163.00677	0.7
165.02217	3.9
167.03745	1.1
176.03835	20.3
177.02225	1.0
178.05399	38.7
179.05713	0.8
181.01727	1.1
183.03304	7.4
186.02321	1.9
190.01773	1.8
192.03351	1.8
194.04900	5.3
196.06454	16.2
201.04391	3.7
204.03316	14.8
208.02840	3.9
210.04489	1.3
222.04375	96.0
223.04694	2.1
226.03925	1.1
240.05434	61.4
241.05725	1.3
245.05995	1.5
263.06958	0.6
264.05438	29.2
264.12317	0.8
264.15939	1.1
282.06476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07632	0.4
53.03952	0.4
55.01868	0.7
55.30164	0.4
56.05018	0.4
56.96555	0.6
67.05510	1.0
68.05029	22.0
69.05811	5.3
69.45835	1.1
69.46228	1.0
79.05492	1.8
80.05018	0.6
81.04550	0.5
81.07053	0.6
85.02869	0.6
91.05469	0.9
93.07042	1.9
94.06563	1.3
95.04968	1.3
97.02915	1.0
98.06030	0.8
103.05467	1.7
105.07053	0.5
106.06540	2.0
108.34580	0.4
110.06017	0.4
118.06526	0.7
120.08107	20.7
121.06495	0.6
121.08387	0.5
122.06019	1.5
122.07156	3.8
122.09673	0.6
123.04414	6.2
123.05289	0.5
123.06815	12.6
123.07727	0.7
131.08549	0.5
133.05278	2.3
136.07582	0.6
137.05968	0.6
138.09151	1.1
144.04782	0.7
146.06020	0.9
147.06740	0.5
148.07570	66.6
149.05934	0.7
149.08153	0.9
166.08636	100.0
167.09038	1.0
170.76169	0.4
184.11197	3.7
200.10712	7.4
217.08569	0.5
218.11726	2.0
228.10199	4.1
229.10477	0.6
246.11247	10.1
264.12308	51.7
264.15793	3.4
265.12643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.196
Annotation	Tramadol
Peak:m/z	Relative Intensity
55.05526	0.3
65.03947	0.3
67.05507	0.8
68.05041	0.5
69.03427	7.2
69.40659	0.8
70.94234	0.1
71.04995	0.5
72.08162	0.3
79.05509	0.4
81.07063	1.2
82.06590	0.4
91.05488	0.6
93.07034	0.4
95.04980	1.0
95.08606	0.2
96.08137	0.2
97.06474	0.2
97.08901	0.3
105.07047	0.5
108.08149	0.3
109.06496	0.2
111.08080	28.5
112.08421	0.2
117.07005	0.3
119.08592	0.9
121.06534	0.5
122.07159	0.4
123.07997	0.3
124.11237	0.8
126.12820	1.3
133.10136	0.3
134.09637	0.2
135.08049	0.5
137.09601	0.2
139.07491	0.2
145.10141	0.2
147.08018	0.2
148.07578	0.4
149.09610	0.2
157.10101	0.2
159.11678	0.2
161.09619	0.3
162.12752	0.3
164.14432	0.2
165.09070	0.3
166.08632	0.6
173.07861	0.2
175.07544	0.6
175.11119	0.2
187.11159	0.4
189.07355	0.3
189.09161	0.2
193.08640	0.2
201.12791	0.3
203.10674	0.4
206.11769	0.8
217.12300	0.2
229.12344	0.2
235.13316	0.2
236.20088	4.6
237.19951	0.2
240.92888	0.2
247.13318	0.4
262.18060	0.3
264.19577	100.0
265.11145	0.3
265.14377	0.8
265.19940	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	265.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55158	0.3
52.75493	0.3
54.03466	0.6
56.96322	0.4
56.96569	4.0
58.99869	3.4
60.95855	0.5
69.03423	0.7
70.32133	0.7
74.02087	0.4
76.43171	0.4
77.00919	0.6
78.60168	0.3
80.05019	0.9
80.28691	0.3
81.04545	11.7
82.01443	3.9
84.08141	0.4
84.96065	0.3
85.02897	1.0
86.06071	0.4
86.09695	0.3
97.02890	0.3
97.06549	0.4
98.97602	2.2
100.02498	6.7
101.00892	1.0
102.96870	0.9
103.00644	2.3
111.02940	0.4
113.03001	0.6
115.00598	0.5
116.98647	1.3
118.03541	2.2
119.01921	1.8
120.97926	0.5
121.01700	2.7
122.07159	100.0
123.07500	0.9
126.03719	1.2
127.02425	1.5
127.03894	0.4
129.03990	3.3
132.80405	0.3
133.01653	1.3
144.04790	25.3
145.01723	3.2
145.03471	14.5
145.04848	0.5
145.05115	0.5
146.03662	0.5
147.05032	4.6
150.03996	0.8
152.05589	2.0
155.00227	0.8
155.01924	0.4
157.01706	0.6
157.03500	1.6
161.02933	0.6
163.02744	7.4
163.04536	6.0
165.06091	1.3
168.05074	10.6
168.06433	0.6
169.05325	0.6
170.06633	6.1
173.01253	3.1
173.02939	1.0
175.02766	1.9
175.04523	0.8
177.00916	3.5
180.05064	4.9
186.06140	3.8
188.07695	3.2
191.02289	2.9
191.04062	4.1
193.03883	1.5
196.04549	4.5
198.06148	2.8
201.00781	0.7
201.02454	0.4
205.03760	2.0
208.98857	0.5
209.05118	0.8
214.05624	8.9
216.07204	0.8
217.04124	0.7
219.01869	5.0
219.03581	0.7
224.04037	6.7
225.00928	0.5
230.98486	0.4
232.06737	1.1
237.02553	1.4
239.98880	1.3
242.05144	17.4
243.02045	2.1
243.05392	0.7
261.03058	14.5
261.05792	0.7
265.02551	1.4
265.06177	1.8
265.11179	2.2
265.15729	0.6
282.96457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
69.67126	1.9
70.65614	3.3
85.02889	1.9
91.05473	5.3
107.04986	2.6
108.91034	2.2
114.99466	1.7
115.05442	20.9
117.07021	34.5
119.08595	2.6
122.07150	18.6
128.06245	2.6
129.07031	4.6
131.08551	4.0
143.04900	2.3
144.04745	3.3
145.06487	79.9
147.08099	3.6
155.06018	14.1
156.05724	16.6
157.06467	2.8
159.08081	4.5
161.05983	5.1
167.07069	2.9
172.05186	2.1
173.05991	100.0
174.06406	2.6
175.07585	5.2
187.07578	7.5
190.06256	38.3
191.06792	2.4
202.06256	3.5
203.07011	16.8
205.08600	91.8
217.08598	59.0
217.10730	2.3
219.10263	2.7
223.09726	2.2
235.09596	9.4
247.09604	4.0
265.10773	5.5
265.16394	8.9
265.19876	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	265.1436
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
55.05512	11.0
65.03940	10.8
67.05505	27.8
69.03434	37.4
69.07065	3.7
71.04993	8.8
77.03918	3.1
79.05489	24.4
81.04539	9.6
81.07060	23.4
82.05348	3.4
83.05000	11.3
85.02919	6.3
91.05475	46.4
93.03394	7.7
93.07046	42.0
95.04964	47.0
95.08605	23.1
97.06534	12.6
99.04426	6.9
103.05456	4.0
105.07030	81.3
107.04980	4.9
107.08588	21.5
109.02824	3.1
109.06512	31.3
109.10161	11.1
111.04460	27.9
111.08090	14.1
112.08427	3.7
113.05989	20.9
115.05455	7.4
116.06246	5.3
117.07008	18.2
119.08580	100.0
120.08133	4.7
121.02857	15.6
121.06501	45.9
121.10140	16.4
122.07150	62.6
123.04461	4.1
123.07972	59.3
125.06059	2.9
128.06244	7.8
129.07008	20.8
130.07762	7.4
131.04918	4.0
131.08563	46.3
133.06468	8.1
133.10106	24.0
135.08049	86.7
137.05992	6.1
137.09607	17.1
139.03912	11.0
139.07555	8.5
141.06947	4.5
142.07756	12.4
143.08557	19.4
144.04712	16.8
144.09337	10.0
145.06450	16.0
145.10118	40.1
146.07272	7.4
147.08040	49.5
147.11635	16.0
149.05966	6.9
149.09639	13.0
151.07584	5.7
153.06950	3.5
153.09090	5.5
155.08559	8.6
156.09294	12.4
157.06512	4.1
157.10156	22.9
158.07228	18.9
158.10902	6.0
159.08067	42.5
159.11684	47.2
160.08833	9.7
161.06029	5.6
161.09604	36.3
161.13217	4.6
163.07613	7.0
165.09097	38.3
168.09288	5.4
169.10164	3.7
171.08051	8.0
171.11697	7.7
172.08800	23.7
173.09651	20.1
173.13254	19.1
174.06815	2.9
175.07555	83.7
175.11162	36.5
177.09131	3.9
181.10097	3.1
183.11690	8.8
185.09618	8.9
186.10367	6.6
187.07512	3.7
187.11183	46.2
189.09071	13.3
189.12741	16.5
191.07018	3.8
193.08598	27.2
193.10149	5.6
196.08862	7.8
199.11180	21.2
201.12756	40.1
203.10670	56.9
205.12244	6.3
208.13315	5.9
211.11180	26.5
217.12251	37.1
219.13763	16.0
220.09039	3.9
229.12193	37.3
235.13350	10.2
247.13271	65.5
264.19836	2.8
265.00702	6.5
265.11176	42.0
265.14432	82.6
265.19849	41.0
266.14972	3.4
266.17636	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	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
50.72883	3.1
55.05506	13.7
59.85954	3.6
65.03935	9.1
67.05499	30.9
69.03423	38.1
69.07061	6.9
69.40057	10.8
71.04993	10.6
72.08159	9.2
78.00343	3.4
79.05499	20.6
81.04540	8.7
81.07069	17.6
83.04987	7.9
87.04451	4.0
90.33416	3.7
91.05473	48.2
93.03404	5.7
93.07040	46.4
95.04960	50.0
95.08587	20.9
97.02895	3.8
97.06549	9.0
99.04443	4.1
103.05419	6.0
105.07020	74.8
107.08594	21.4
109.06505	33.1
109.10164	4.8
111.04444	27.4
111.08070	12.5
113.06013	19.0
115.05480	7.1
116.06203	9.3
117.06972	20.7
119.08576	100.0
120.08114	7.3
121.02859	14.3
121.06496	54.7
121.10157	12.8
122.07147	83.6
123.08069	25.8
125.06018	5.4
128.06218	8.1
129.02432	3.2
129.06998	19.8
130.07777	7.2
131.08554	41.6
133.06493	11.0
133.07529	3.0
133.10103	18.6
135.08049	90.1
137.05949	5.8
137.09616	20.8
139.03903	11.1
139.07564	9.5
141.06985	6.4
142.07777	12.9
143.08574	18.7
144.04759	24.7
144.05765	4.6
144.09383	9.1
145.06464	17.7
145.10100	35.4
146.07253	5.1
147.08054	46.1
147.11673	19.5
149.07947	3.7
149.09621	12.8
151.07495	6.0
153.07033	5.5
155.08488	5.4
156.09306	9.1
157.06511	4.3
157.10110	23.6
158.07256	20.6
158.10896	4.0
159.08057	44.0
159.11678	42.8
160.08817	5.5
161.09604	44.7
161.13208	5.8
163.07591	4.9
165.09099	37.6
168.09329	9.0
169.10081	4.7
171.08044	7.6
171.11687	12.0
172.08838	24.1
173.09671	20.2
173.13239	22.9
175.07526	77.2
175.11174	44.7
182.65031	3.3
183.11743	15.7
185.09668	7.2
186.10390	5.3
187.11160	44.9
189.09088	12.0
189.12732	15.0
193.08607	22.2
193.10118	4.8
196.08842	9.9
199.11212	13.6
201.12727	42.0
203.10680	67.9
205.12234	5.7
211.11191	25.1
217.12244	34.6
219.13799	12.0
229.12219	37.9
235.13278	12.5
247.13292	66.7
247.15628	6.4
249.36273	3.8
265.13950	66.8
265.16489	29.6
265.19699	8.3
266.13995	4.6
266.17380	4.2
283.19308	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1546
Annotation	Val Phe
Peak:m/z	Relative Intensity
52.53900	0.2
53.03946	0.4
53.40467	0.2
55.05512	11.5
56.05026	0.4
56.05840	0.2
57.05813	1.0
57.86586	0.2
65.81717	0.2
69.03425	0.2
70.09803	0.2
72.08155	100.0
73.08482	0.8
73.18583	0.2
81.04541	0.4
82.82466	0.2
83.91632	0.2
96.20209	0.2
98.97605	0.2
103.05455	0.3
111.10101	0.2
120.08104	12.6
121.08412	0.4
122.07153	5.4
122.07996	0.3
131.04906	0.4
144.04785	1.5
149.05968	0.4
166.08633	11.4
167.09042	0.3
181.06949	0.2
219.14987	0.8
265.15735	5.8
265.19983	0.5
266.13763	0.3
266.17548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
53.03934	0.5
55.05509	3.2
57.07075	1.5
65.03947	0.5
67.05515	2.8
68.99787	5.6
69.03423	0.8
69.07066	5.1
69.56761	1.2
69.57104	0.3
71.01350	0.5
71.08627	0.5
79.05487	2.1
81.04535	1.0
81.07072	1.9
83.08611	0.4
85.02885	0.6
91.05488	2.5
93.03382	0.6
93.07046	3.7
94.07814	0.8
95.04984	1.9
95.08603	4.3
97.06524	0.7
97.10156	0.9
98.22742	0.6
101.02374	5.7
101.02990	0.5
103.05434	0.3
103.18343	0.2
105.07031	1.1
106.07843	0.3
107.04942	1.2
107.08585	4.8
109.06518	1.6
109.10160	2.2
111.04401	0.5
115.05439	0.8
116.06232	0.3
117.07025	3.3
119.04892	0.4
119.08570	0.6
120.05733	0.7
121.02862	0.3
121.06477	1.8
121.10163	3.1
122.07154	6.8
123.04420	1.2
123.08093	0.4
123.11658	0.3
125.05991	0.9
125.09647	0.4
131.08569	2.6
133.06459	0.6
133.10085	0.4
134.07259	0.5
135.04404	1.1
135.08041	2.7
135.11696	0.5
137.05981	1.2
141.05467	1.0
143.81474	0.3
144.04808	1.7
145.06483	0.8
145.10118	0.9
147.08046	0.4
149.05963	1.3
149.09590	1.6
149.13242	1.3
151.07617	0.3
153.05467	1.2
154.06226	1.4
155.07039	2.0
159.08037	0.8
161.05989	0.8
162.06670	0.5
163.07570	3.0
163.14816	0.4
167.07033	4.6
167.08325	0.5
173.13278	0.5
177.09123	2.5
179.07047	1.2
181.08655	0.5
191.10603	0.6
193.08601	4.5
194.09383	12.0
195.10153	1.4
205.15959	0.5
233.15314	0.5
265.17981	100.0
266.18311	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	265.2164
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
50.61237	1.2
51.02343	1.0
53.03947	2.8
55.01869	3.5
55.05515	20.1
57.03214	1.0
57.03437	8.9
57.07074	6.2
61.79704	1.1
65.03925	1.7
66.58510	1.1
67.05504	67.4
67.80848	1.2
69.03414	1.4
69.07063	12.6
69.61633	3.7
69.62020	2.5
70.06590	2.1
71.05003	5.6
71.08631	93.4
79.05050	1.6
79.05499	30.4
81.03423	3.6
81.04533	5.1
81.07059	36.8
83.04976	15.9
83.08626	6.0
85.06542	4.1
91.05482	24.3
93.07046	30.6
95.04961	6.7
95.08601	27.7
97.06535	13.1
99.08092	100.0
100.08421	1.4
104.10079	1.0
104.99254	1.5
105.07028	11.3
107.08595	12.1
109.06519	2.9
109.10151	24.1
111.08099	5.5
117.07024	3.8
119.08573	4.8
121.10178	8.6
122.07151	43.8
123.11675	1.5
125.09639	1.9
127.11223	6.2
131.08566	7.3
133.10121	14.7
135.11674	4.9
137.13266	2.6
139.11162	2.0
144.04770	11.6
145.10101	1.1
147.11667	2.5
149.13222	3.7
151.11185	9.2
153.12729	9.1
159.11655	1.4
165.12737	3.5
167.14310	1.1
173.11757	2.5
173.13133	2.4
195.13850	1.5
196.96539	1.4
217.19464	1.3
219.21037	1.8
229.19461	3.8
247.20596	4.4
265.10864	1.1
265.21625	75.9
266.21890	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
52.52702	1.1
53.03938	1.7
55.01871	1.3
55.05513	40.6
57.03418	1.9
57.07080	16.7
67.05164	1.8
67.05507	37.2
69.04407	1.0
69.07067	59.7
69.19211	4.3
69.19617	2.6
70.06604	1.5
71.04989	2.7
71.08630	8.9
79.05489	17.4
80.05029	1.3
81.04538	4.0
81.07055	46.6
83.04982	2.6
83.08123	2.2
83.08621	43.6
84.38143	1.2
85.06535	2.6
85.10180	6.1
91.05469	3.8
93.07047	25.8
95.04984	1.8
95.08606	51.7
95.50711	1.0
95.62357	1.1
97.06521	12.0
97.10168	28.6
99.08070	2.0
102.80203	1.1
107.08593	20.4
109.10165	22.3
111.08090	10.4
111.11723	8.4
113.09666	1.6
121.10141	41.5
122.07150	41.3
123.11709	9.2
125.09644	2.7
125.13274	2.2
126.78496	1.3
135.11691	29.3
137.13255	4.4
139.11148	3.2
144.04796	12.0
149.13245	12.6
151.14796	5.8
163.14819	4.4
165.16362	6.1
177.16347	2.8
224.17436	1.1
247.24219	29.7
247.26639	2.2
265.25262	100.0
266.25586	3.4
271.55750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05061	0.2
53.03942	0.3
55.01854	0.3
55.05497	0.3
57.03425	0.2
58.06584	0.2
60.04525	0.2
61.02930	0.2
67.05482	0.3
69.03423	1.3
69.15803	0.5
69.16208	0.7
70.06587	0.4
73.02921	0.3
79.05499	0.5
80.04990	0.6
80.57685	0.2
81.03412	0.9
81.07047	0.5
85.02922	1.7
87.00822	0.9
91.05457	0.4
94.06571	0.5
95.08617	0.5
96.82226	0.2
97.02876	1.1
98.06064	0.3
98.07717	0.2
105.01848	0.8
106.06553	4.8
108.04486	2.2
108.08112	3.1
109.02869	0.7
112.11204	0.3
120.08109	1.7
122.06065	0.3
122.07269	0.2
122.09704	0.5
123.04436	0.3
123.06817	1.3
125.06014	0.3
126.05502	1.1
127.03924	1.1
128.10683	0.3
132.22372	0.2
136.11243	0.2
138.05519	0.3
144.06592	0.2
145.04962	0.4
150.05473	1.0
150.09189	0.2
151.06264	0.3
152.07066	3.4
159.02846	0.3
162.12776	11.4
163.13052	0.2
164.07108	0.3
164.14391	0.6
168.06570	2.3
168.10216	0.4
169.07375	0.2
206.08203	0.4
208.13327	100.0
209.13684	2.7
209.65924	0.2
230.06519	0.2
248.12865	0.5
248.16479	0.8
261.28271	0.2
266.14252	1.7
266.17511	47.5
267.17807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1017
Annotation	5-METHYL-7-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
53.80489	0.2
70.75728	0.3
81.07056	0.4
83.50281	0.2
98.98480	0.6
104.99281	0.4
122.07181	0.3
152.06282	0.4
153.06996	1.2
159.29015	0.2
163.77530	0.3
165.06976	0.3
167.08614	0.6
168.09303	0.4
178.07811	0.4
179.08571	0.8
181.06494	4.1
186.49487	0.2
195.08038	1.3
196.08844	4.1
197.09619	0.3
207.08031	0.4
209.06053	0.4
211.11292	0.5
223.07533	8.3
224.08331	5.2
235.07545	0.3
236.08231	0.4
237.05490	9.4
239.10651	0.8
251.06995	3.0
252.07838	9.2
252.11784	0.3
253.08138	0.4
267.10175	100.0
268.10507	3.9
270.72305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1016
Annotation	5-METHYL-7-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.05517	0.4
57.07069	0.4
60.34393	0.3
67.05482	0.6
69.07028	0.3
69.61835	0.6
69.62224	0.9
70.06607	0.5
76.85710	0.3
79.05486	0.6
81.07056	0.6
83.08586	0.4
95.08635	0.3
97.69456	0.3
98.98475	0.6
104.99265	0.8
122.07150	1.1
123.29555	0.3
125.15599	0.4
128.99641	0.4
136.06151	0.5
153.06972	1.5
167.08551	0.4
168.09357	0.3
179.08585	0.7
181.06465	3.6
194.07222	0.4
195.08011	1.4
196.08855	3.5
207.08035	0.6
208.08916	0.5
209.05945	0.8
223.07523	8.9
224.08290	5.8
235.07608	0.8
236.08267	0.5
237.03032	0.5
237.05452	10.7
237.09067	0.7
239.10634	1.0
251.07001	3.2
252.07803	10.8
253.08253	0.4
266.28394	1.1
267.10144	100.0
267.28833	0.4
268.10559	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	267.134
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05037	16.8
56.97176	0.4
57.03425	2.5
58.06609	4.3
66.14198	0.5
69.56438	0.4
69.64636	0.8
69.64996	1.1
70.06606	0.7
71.92071	0.5
72.08173	0.5
74.06079	100.0
75.04478	0.8
75.06430	0.4
81.04528	0.8
84.04490	2.4
84.08141	0.8
91.05492	1.8
98.97573	0.8
101.07149	1.5
103.05476	1.8
107.04948	0.9
120.08104	55.0
121.08438	0.6
122.07159	4.8
122.29897	0.5
131.04948	1.3
132.08087	0.5
136.06189	4.6
146.04382	1.5
149.05984	1.3
158.09628	1.0
160.11292	0.5
166.08633	39.1
167.08949	0.8
176.10785	1.2
189.12782	0.5
203.11841	1.3
221.12880	8.2
249.12349	5.2
267.10626	1.0
267.13403	14.3
267.17783	0.8
268.19073	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	267.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	16.8
56.97176	0.4
57.03425	2.5
58.06609	4.3
66.14198	0.5
69.56438	0.4
69.64636	0.8
69.64996	1.1
70.06606	0.7
71.92071	0.5
72.08173	0.5
74.06079	100.0
75.04478	0.8
75.06430	0.4
81.04528	0.8
84.04490	2.4
84.08141	0.8
91.05492	1.8
98.97573	0.8
101.07149	1.5
103.05476	1.8
107.04948	0.9
120.08104	55.0
121.08438	0.6
122.07159	4.8
122.29897	0.5
131.04948	1.3
132.08087	0.5
136.06189	4.6
146.04382	1.5
149.05984	1.3
158.09628	1.0
160.11292	0.5
166.08633	39.1
167.08949	0.8
176.10785	1.2
189.12782	0.5
203.11841	1.3
221.12880	8.2
249.12349	5.2
267.10626	1.0
267.13403	14.3
267.17783	0.8
268.19073	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03736	0.6
53.03939	3.5
55.01870	2.1
55.05515	7.2
57.03437	21.7
59.04992	0.6
65.03969	0.9
67.05504	11.8
69.03429	2.7
69.07066	3.4
71.01288	0.6
71.04988	1.3
74.37914	0.6
79.05489	12.9
80.12605	0.5
81.03416	100.0
81.07050	11.9
83.04984	5.2
83.08620	14.8
85.06522	0.9
91.05479	19.1
92.05280	0.6
93.07040	7.3
95.04967	21.5
95.08222	0.4
95.08614	4.5
97.02892	1.5
97.06516	2.3
97.10152	2.0
103.05408	0.5
105.07028	13.3
107.04955	5.4
107.08584	3.4
109.06532	3.1
109.10155	1.7
109.50964	0.7
111.04452	1.5
111.08096	5.7
115.05454	1.3
117.07027	1.2
119.08578	11.8
121.06500	1.6
121.10149	4.0
123.08057	2.3
125.09625	0.6
129.06987	7.0
131.08560	7.4
133.06482	2.6
133.10143	3.4
135.08018	0.8
137.09578	1.7
142.07755	2.3
147.08032	2.4
147.11694	7.8
149.09610	4.5
151.11128	0.7
157.10129	9.4
165.12779	1.7
175.11169	9.7
193.12251	19.5
211.13263	2.2
228.81641	0.7
235.02515	0.8
249.14909	2.1
267.15857	52.4
268.16241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.07773	0.7
53.03947	2.6
53.13842	0.8
55.01867	1.8
55.05516	6.4
57.03438	19.9
59.90164	0.8
67.05506	11.4
69.03429	2.2
69.07064	2.2
71.05003	1.3
79.05498	9.5
81.03419	100.0
81.07063	10.4
82.03752	0.8
83.04982	4.2
83.08616	13.7
91.05482	17.4
93.07059	6.8
95.04968	20.3
95.08590	4.6
97.02902	1.1
97.06551	0.8
97.10206	1.6
98.98472	1.4
99.08083	0.7
105.07031	10.6
107.04948	3.6
107.08604	2.9
109.06512	3.1
109.10140	1.2
111.04469	1.3
111.08078	6.2
115.05398	0.8
117.06995	0.9
119.08595	10.2
121.06505	2.0
121.10161	3.4
123.08083	2.0
123.11646	0.9
128.06145	0.9
129.07007	8.6
129.59070	0.9
131.08572	7.0
133.06516	2.2
133.10138	3.3
135.74873	0.8
137.09676	1.5
142.07788	2.1
145.10127	1.1
147.08014	2.5
147.11734	7.0
147.43173	0.9
149.09584	3.6
157.10138	9.1
165.12758	2.7
175.11215	9.0
193.12238	21.8
194.74562	0.8
205.12259	1.2
211.13263	4.1
224.82480	0.7
229.37556	0.8
237.14674	1.1
249.14931	1.5
267.15894	69.0
268.16180	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	267.2321
Annotation	Hydroprene
Peak:m/z	Relative Intensity
50.87956	0.5
51.09882	0.5
55.01894	0.7
55.05511	13.7
57.03431	3.4
57.07067	2.2
59.05011	4.4
62.25554	0.5
65.03943	1.7
65.38933	0.5
67.05508	100.0
68.05833	1.0
69.07070	4.8
69.81660	1.8
71.04988	4.6
73.06570	3.8
79.05508	4.6
81.07062	24.4
83.08627	7.7
85.06535	3.8
89.68572	0.5
89.69127	0.5
91.05486	6.8
93.07052	7.8
95.04971	0.8
95.08611	18.6
97.06534	0.9
97.10155	1.8
99.08128	1.4
101.86960	0.6
104.99294	1.8
105.03407	0.7
105.07024	1.3
107.08585	3.6
109.10163	78.0
110.03777	0.6
110.10468	0.8
111.08088	3.3
111.11726	0.9
113.09648	1.3
119.08591	5.2
121.10145	3.4
122.07138	1.1
123.11700	4.7
125.09659	1.0
127.11205	1.1
133.10161	1.2
135.11699	4.1
137.09619	3.2
137.13268	2.0
146.04378	0.5
146.40617	0.5
147.11717	1.4
149.06046	0.7
149.13245	2.7
155.10667	5.5
161.13243	0.7
173.11742	20.8
174.12012	0.6
175.14857	1.3
179.81908	0.6
183.13834	1.4
189.16458	0.8
193.61575	0.7
224.08449	0.6
231.21059	1.3
239.10933	0.6
249.22144	9.5
267.10263	3.1
267.12964	0.7
267.23206	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.03431	0.5
58.53958	0.1
69.03423	0.3
69.30541	0.1
70.00483	0.4
71.01376	0.2
71.30311	0.1
73.02946	0.2
85.02892	0.4
89.06033	0.2
94.04074	0.4
115.03892	0.2
118.30237	0.1
119.03584	0.8
133.04863	0.2
136.06187	100.0
137.04562	0.2
137.06607	1.0
155.01947	0.1
268.10416	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01869	0.2
57.03431	0.8
57.50676	0.1
61.45565	0.1
65.25366	0.2
69.03435	0.2
69.04205	0.1
69.66612	0.5
73.02927	0.3
85.02912	0.3
94.04048	0.2
98.23479	0.3
118.14398	0.2
119.03559	0.6
133.05014	0.3
133.11177	0.2
136.06183	100.0
137.04599	0.4
137.06520	0.5
182.52863	0.2
185.81802	0.2
215.33607	0.2
268.10406	7.0
269.10406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01870	0.4
57.03439	0.5
63.69262	0.1
69.03444	0.4
70.60051	0.1
71.46024	0.1
73.02907	0.4
75.36678	0.1
82.13468	0.1
84.71470	0.1
85.02907	0.6
85.49776	0.1
87.04465	0.2
94.04041	0.2
95.06163	0.1
97.02892	0.2
110.07159	0.3
115.03934	0.2
118.92488	0.1
119.03525	0.8
133.04944	0.3
136.06180	100.0
137.04562	0.4
137.06596	0.9
164.98848	0.2
174.15900	0.2
215.10516	0.1
259.80438	0.1
268.10382	8.8
268.15152	0.3
269.10757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1907
Annotation	Metoprolol
Peak:m/z	Relative Intensity
57.07077	0.6
61.35566	0.3
69.03419	0.7
69.07063	0.4
79.05486	0.3
81.07064	0.8
83.07343	0.3
85.06547	0.3
86.06063	0.5
93.07053	2.2
95.08627	0.3
98.22617	0.6
105.07043	0.9
106.06564	0.4
108.08102	0.4
111.08066	0.6
119.08567	0.5
120.08121	0.4
121.06455	1.3
121.10097	0.3
123.08096	0.3
133.06499	1.3
135.11732	0.3
138.12764	0.5
147.08060	0.5
148.11217	0.9
149.52625	0.3
152.07155	0.3
162.12794	2.8
177.12706	0.4
178.15971	0.6
179.14311	5.1
188.14372	0.3
189.12737	3.2
204.17519	0.8
206.15402	5.6
207.13826	2.7
208.13326	15.2
209.13756	0.4
224.16440	7.4
229.03891	0.3
232.17001	0.6
250.18025	4.7
268.19077	100.0
269.19440	2.0
278.90155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Metoprolol
Peak:m/z	Relative Intensity
57.07066	0.4
69.03418	0.7
69.07062	0.4
69.43802	0.8
70.75410	0.3
79.05495	0.3
81.07053	0.8
83.07369	0.3
85.06536	0.5
91.05492	0.3
93.07050	1.5
95.08626	0.6
96.08101	0.4
99.94508	0.2
105.07029	1.2
109.06547	0.4
111.08070	1.2
111.55286	0.2
119.08540	0.3
121.06525	1.4
123.07987	0.5
124.11206	0.5
128.99515	0.2
133.06511	1.6
135.11681	0.5
136.03267	0.2
136.06183	0.7
137.09677	0.3
138.12784	1.1
147.08044	0.6
155.51495	0.3
161.13226	0.3
177.12732	0.4
178.15964	0.4
179.14301	3.5
188.14323	0.4
189.12750	3.1
206.15387	5.3
207.13823	1.7
224.16449	2.9
250.18060	1.0
268.19077	100.0
269.19388	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	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66159	1.4
74.17265	1.3
94.93020	2.2
97.12717	1.5
112.89606	5.0
136.94037	5.5
140.11868	1.6
162.95604	4.6
176.93524	1.9
182.98071	1.6
195.97656	2.3
268.98257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1173
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
55.05493	0.8
56.96553	2.2
57.07058	0.8
67.05492	2.4
69.07051	1.1
70.06597	1.0
72.08147	2.3
79.05486	1.8
81.07053	2.5
84.23251	0.7
85.27324	0.7
93.07021	1.6
95.08598	0.8
97.06519	1.0
97.48800	0.7
101.62107	0.7
104.99272	1.6
110.07153	1.2
119.08572	0.7
121.10136	0.8
131.04875	1.4
141.13849	0.8
142.49660	0.8
149.13284	1.1
155.08516	0.9
159.11685	1.0
165.06953	4.0
166.07770	2.8
167.08574	0.8
167.84195	0.7
175.07518	1.2
181.06549	0.9
181.10103	6.8
182.07098	0.9
183.08023	3.5
185.09563	0.9
190.07751	1.3
191.08606	4.1
193.10167	1.2
194.07254	7.8
195.08002	3.4
196.08820	1.8
197.09636	1.5
197.11826	0.7
198.10385	2.2
208.08832	2.0
209.09615	16.8
209.11496	1.3
210.10387	7.8
211.07532	20.3
211.11037	1.6
212.08223	1.3
213.12671	1.7
223.02756	2.8
223.10974	1.3
225.09097	3.7
226.09883	30.4
227.10361	1.0
235.35860	0.9
236.08345	1.3
237.09207	4.8
238.09850	5.7
239.07019	4.3
239.10596	1.0
241.03868	2.1
241.12224	66.3
242.12578	1.6
251.10670	3.0
252.11414	3.7
253.08632	1.1
254.09377	14.0
256.02774	2.4
269.11716	100.0
269.17734	2.3
270.12149	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	269.1172
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
57.64007	0.4
62.23445	0.4
69.03463	0.4
105.07018	0.8
132.80499	0.4
141.07010	0.4
145.06461	0.4
151.63844	0.4
153.06996	0.8
161.05983	8.5
164.83914	0.3
165.06979	2.3
166.07759	2.5
167.08533	0.4
169.60585	0.4
175.07536	1.1
179.08582	0.6
180.09283	0.4
181.06610	0.4
181.10114	3.6
183.07993	2.2
183.11949	0.4
191.08551	0.9
194.07312	1.5
195.08060	3.5
196.08870	0.4
198.06804	0.5
198.10408	0.9
208.08798	1.2
209.09592	6.1
210.10370	6.1
211.07536	13.4
212.08270	0.5
213.12872	0.6
223.07523	0.8
223.11221	0.8
225.09088	3.1
226.09866	20.4
227.10429	0.8
236.08302	0.8
237.09094	2.5
238.09901	3.3
239.07030	2.5
241.08539	0.6
241.12234	4.3
251.10603	0.7
253.08585	2.5
254.09381	8.6
255.09880	0.6
269.11713	100.0
270.12173	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	269.1171
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.82479	0.2
55.05503	0.5
55.83186	0.2
57.07068	0.6
58.25337	0.2
67.01865	0.4
67.05495	0.6
69.03420	0.7
69.07059	0.3
69.64323	0.6
72.08148	0.3
72.66860	0.2
78.64068	0.2
79.05492	0.4
79.87653	0.2
81.07051	0.7
81.61647	0.2
85.10166	0.7
85.49578	0.2
91.05480	1.0
93.07049	0.5
95.08602	0.7
104.99265	3.0
105.07017	0.3
109.10171	0.4
113.09595	0.6
113.16126	0.2
121.10152	0.2
133.06493	0.3
135.11705	0.3
141.06929	0.4
143.08505	0.4
145.06439	0.6
149.13234	0.3
152.06238	0.3
153.06972	0.7
155.08574	1.2
158.07231	0.3
161.05984	0.4
165.07002	1.6
166.07776	0.7
167.08522	1.6
168.09361	0.8
169.10103	0.6
171.08038	4.2
178.07759	2.5
179.08427	1.1
180.09380	0.7
181.06471	6.4
181.10062	1.4
182.07193	0.7
183.08066	1.1
183.11656	1.3
186.99574	0.7
187.68614	0.3
191.08537	0.4
193.10107	5.7
194.07231	1.3
195.08067	2.7
195.11761	0.4
196.08823	12.3
197.09602	3.0
198.10420	0.9
199.07518	2.7
206.07259	1.0
207.08038	0.5
208.08800	2.0
209.09616	3.0
210.10390	0.9
211.07611	4.3
211.11166	11.2
212.08215	0.5
213.09021	0.4
221.05988	0.4
221.09534	2.3
222.10480	0.3
223.07474	0.5
223.11139	2.6
224.08304	16.3
225.08891	0.9
226.06432	0.2
226.09877	4.7
227.10345	0.4
236.08417	0.4
237.09216	1.1
238.09891	1.7
238.35027	0.2
239.07152	1.2
239.10648	8.8
240.11055	0.4
241.08617	0.5
241.12189	6.3
251.10646	0.6
254.09348	3.7
255.10033	0.4
268.26404	0.3
269.11703	100.0
270.12115	3.3
270.14844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1174
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
50.25723	0.7
50.45853	0.8
69.37215	4.0
81.29547	0.9
86.25098	0.9
90.76597	0.8
92.77545	0.7
98.23386	1.2
106.51306	0.7
111.22334	0.8
116.64963	0.8
126.27161	0.7
131.04941	1.6
141.07040	1.0
151.07414	0.9
152.99864	0.7
153.06999	1.4
155.08569	1.5
165.06982	4.8
165.99799	0.7
166.07819	4.9
167.08505	1.2
175.07526	2.0
178.07755	1.0
180.09375	1.9
181.06526	1.3
181.10120	6.7
183.08051	7.5
185.09634	2.3
190.07779	1.3
191.08572	4.3
192.09250	0.9
193.06458	1.1
193.10101	0.9
194.07283	13.1
195.08051	8.7
196.08821	2.6
197.09607	2.2
198.06798	0.7
198.10399	3.0
208.08868	3.1
209.09628	26.5
210.10400	13.8
211.07544	33.5
211.11000	2.2
212.08136	1.5
213.12794	1.8
223.07497	1.3
223.11183	3.0
224.08386	1.1
225.09109	6.2
226.09885	48.1
227.10466	2.5
236.08302	1.3
236.42038	0.9
237.09106	4.9
238.09857	7.8
239.07066	6.4
241.12231	69.7
242.12624	1.9
247.38501	0.7
251.10733	2.9
252.11369	3.7
253.08678	2.0
254.09381	16.6
255.09846	1.0
269.11722	100.0
270.12122	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	269.1176
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
54.57379	0.3
55.05512	1.0
57.03431	1.2
57.07066	0.6
60.31363	0.4
67.05508	4.1
67.12550	0.3
69.07069	1.6
69.80578	1.0
69.80934	0.4
79.05502	2.8
81.07059	5.1
83.04990	0.5
83.08608	0.9
85.96264	0.4
91.05470	1.7
93.07051	4.2
95.08613	1.3
97.06502	0.5
104.99290	2.2
105.07034	1.1
107.08607	2.0
111.08119	0.4
117.07002	0.8
121.10140	2.2
131.08577	0.9
133.10123	1.0
135.08066	0.7
141.06950	0.3
145.06480	0.5
149.09637	1.6
149.13216	2.1
152.06241	0.4
153.07082	0.4
155.08539	0.6
159.11732	1.7
165.06963	2.7
166.07767	2.4
167.08511	0.5
169.06429	0.4
170.07178	0.4
171.08084	0.5
175.07565	0.6
177.09132	1.1
177.12750	0.7
178.07785	1.1
179.08583	0.9
180.09354	1.1
181.06551	0.8
181.10095	3.6
183.08064	3.0
185.09657	0.8
186.99571	0.8
189.07013	0.5
190.07822	1.0
191.08614	1.8
191.10146	0.3
193.10136	1.2
194.07285	3.7
195.08032	2.9
195.11842	0.5
195.13849	0.7
196.08763	0.8
197.05994	0.4
197.09622	1.0
198.06857	1.6
198.10497	0.6
199.07555	0.6
205.06435	0.4
205.10248	0.5
206.07230	1.0
207.08037	0.7
208.08847	5.1
209.09621	11.9
209.11542	0.6
210.10388	3.4
211.07541	14.7
211.10899	0.7
212.08298	1.1
220.08800	0.6
221.05968	2.2
221.09648	1.0
222.06871	0.7
223.07599	0.6
223.11209	1.6
224.08345	0.6
225.09041	2.4
226.06227	1.1
226.09883	13.7
227.10431	0.6
229.14873	0.4
235.07570	0.9
236.08302	4.9
237.09087	5.1
238.09866	4.8
239.07033	6.6
239.10675	0.4
240.11438	0.5
241.08609	3.4
241.12236	14.8
242.12590	0.8
251.10609	1.9
252.11555	0.9
253.08685	1.0
254.09383	19.5
255.10115	1.9
268.10947	1.4
268.26462	0.7
269.11731	100.0
269.17450	4.9
270.12256	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	269.1173
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
54.03499	0.2
54.60216	0.3
55.60732	0.3
59.04974	0.5
70.71078	0.5
83.08537	0.3
84.43027	0.3
91.05485	0.5
104.99263	2.7
105.64600	0.3
107.04931	0.6
131.04884	1.3
141.06989	0.7
151.07562	0.5
152.06168	0.4
153.06940	0.8
155.08475	0.7
161.05983	0.5
165.06950	3.4
166.07777	4.5
167.08499	1.4
169.06416	0.4
175.07532	1.7
176.08215	0.3
178.07735	1.1
179.08540	1.2
180.09254	1.1
181.06476	0.7
181.10103	5.7
183.06587	0.4
183.08070	4.5
183.09605	0.5
184.08450	0.3
185.09593	1.1
186.99571	0.6
189.07007	0.4
190.07768	0.8
191.08549	3.1
192.09239	0.4
193.10120	1.1
194.07277	5.6
195.08054	5.5
195.11769	0.4
196.08763	1.2
197.05984	0.3
197.09590	1.2
198.06677	0.3
198.10399	2.2
199.07495	0.4
201.09128	0.4
207.08015	0.3
208.08846	2.5
209.09610	15.6
210.10384	9.2
211.07526	19.4
211.10999	1.2
212.08264	1.5
213.12711	1.0
221.06006	0.4
221.09514	0.5
223.07481	1.0
223.11151	1.5
224.08322	0.6
225.09074	5.1
226.09872	32.3
227.10461	2.1
236.08310	0.9
237.09105	3.4
238.09836	5.6
239.07019	4.3
239.10553	0.3
240.11436	0.4
241.12216	41.2
242.12573	1.4
251.10674	2.6
252.11372	2.7
253.08626	1.5
254.09383	12.8
255.09778	0.6
269.11707	100.0
270.12128	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03945	2.0
55.01872	2.5
55.05511	17.8
57.03438	29.2
57.07069	2.5
59.04991	1.3
65.03946	2.8
67.05505	79.9
69.03443	1.8
69.06712	2.1
69.07069	29.0
69.17255	1.9
69.17664	4.5
71.04991	7.3
71.08613	1.9
72.08137	3.1
73.02950	1.2
79.05047	2.3
79.05494	41.0
81.03423	2.1
81.07056	100.0
83.04992	10.1
83.08624	19.4
85.06532	4.6
91.05482	22.0
93.07044	74.9
95.04942	7.1
95.08024	1.7
95.08604	24.8
97.06530	15.1
97.10152	1.2
99.08086	5.6
104.99226	5.4
105.07030	10.1
107.08598	31.7
109.06515	3.3
109.10168	4.9
111.08068	7.5
117.07018	13.5
117.44906	1.0
119.08568	3.0
121.06490	2.4
121.10146	19.9
123.11686	4.9
123.31520	1.1
125.09651	1.7
131.08560	12.4
133.10124	13.8
135.08069	4.2
135.11678	13.9
139.11134	1.2
141.13837	1.8
145.19072	1.1
147.11656	1.5
149.09677	1.3
149.13258	46.2
149.14458	2.4
151.11108	1.4
159.11694	31.3
161.13269	1.5
167.14413	1.8
177.12735	16.6
195.13800	16.5
196.08725	1.3
211.07558	2.0
213.14827	2.5
224.08459	2.2
226.09911	2.5
241.12302	1.9
251.19859	1.4
254.09515	1.4
254.12091	1.1
269.11630	15.0
269.17462	82.3
270.17804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	2.8
53.79691	1.6
55.01870	3.6
55.05264	1.6
55.05513	22.6
57.03178	2.4
57.03441	35.7
57.07071	6.3
58.02179	1.5
65.03938	2.3
67.05509	84.9
69.07069	31.6
71.04993	6.3
73.02952	2.0
79.05494	44.8
81.03426	1.7
81.07062	100.0
81.72778	1.5
83.04982	15.9
83.08625	20.5
85.06537	5.2
85.30563	1.4
90.87412	1.5
91.05483	26.7
93.07053	68.0
95.04979	9.5
95.08618	28.6
97.06532	15.0
97.10178	3.2
99.08091	3.0
104.99281	11.7
105.04508	2.7
105.07050	11.1
107.08603	35.1
108.15990	1.4
109.06514	4.7
109.10151	3.8
111.08077	9.2
117.07043	13.2
119.08553	1.8
121.06528	2.5
121.10150	22.9
123.11720	5.4
131.08537	14.3
133.10114	11.6
135.08060	2.3
135.11703	10.9
143.40108	1.6
144.54099	1.7
147.11685	1.7
149.09683	1.6
149.13266	55.3
150.13516	2.0
151.11157	2.1
159.11696	20.0
166.59303	1.4
177.12788	8.9
184.56674	1.9
186.99536	4.8
195.13828	15.5
200.29478	1.7
213.14961	1.8
217.52426	1.7
265.47791	1.5
269.11469	3.0
269.17490	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03946	2.1
55.01866	3.5
55.05515	21.8
57.03441	30.8
57.07060	2.9
65.03938	2.3
67.05506	83.9
69.03414	1.3
69.06711	1.8
69.07071	30.0
69.76283	3.5
69.90111	0.9
71.04991	6.1
71.08614	1.0
77.03889	1.0
79.05497	47.4
81.03426	2.0
81.07059	100.0
82.07381	1.3
83.04980	11.5
83.08625	20.1
85.06538	6.5
91.05481	29.5
92.31932	1.1
93.07047	76.2
94.07365	1.4
95.04975	8.9
95.08611	23.9
97.06535	16.2
97.10185	1.7
98.97575	1.1
99.08109	4.3
99.74059	1.0
99.89370	0.8
104.99285	10.1
105.04498	2.3
105.07038	11.8
107.08596	35.3
109.06521	4.2
109.10181	4.5
111.08091	8.8
113.06055	0.9
113.09644	1.2
117.07018	12.8
119.08604	3.2
121.06499	1.6
121.10156	23.2
123.11711	3.7
131.08569	15.3
133.10136	15.3
135.08058	3.1
135.11697	14.8
139.11174	1.3
144.09291	1.0
147.11699	1.6
149.09645	7.6
149.13252	41.2
149.14445	2.1
151.11168	1.9
153.09064	1.3
159.11697	32.7
161.13269	2.6
167.14302	1.6
170.51697	0.8
177.09149	2.3
177.12762	14.8
178.01756	0.9
179.14323	2.6
186.99646	2.4
190.40353	1.0
195.13824	16.6
196.14117	1.4
209.11725	1.9
213.14830	1.3
241.39316	0.9
251.16481	1.0
269.17490	81.0
270.17792	1.9
286.36404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.78489	1.1
53.03928	2.9
55.01861	3.1
55.05267	1.4
55.05511	22.3
57.03439	30.7
57.07062	4.9
59.04979	1.6
65.03926	2.1
67.05504	81.5
69.06707	1.9
69.07066	30.3
71.04973	5.0
77.03906	2.2
78.08769	1.2
79.05489	48.8
81.03407	3.4
81.07054	100.0
83.04980	11.5
83.08623	20.5
85.06533	6.8
91.05476	30.7
93.07043	78.1
95.04977	9.2
95.08601	25.7
97.06532	18.4
97.10159	2.4
98.23426	3.0
99.08102	7.0
104.99260	8.7
105.04516	2.7
105.07028	12.1
106.59005	1.1
107.04951	1.1
107.08591	37.1
109.06509	2.9
109.10154	6.1
111.08083	9.9
112.78541	1.1
117.07024	14.2
119.08538	2.6
121.06504	1.7
121.10141	16.5
123.11711	4.5
129.06995	1.6
131.08554	15.9
131.10728	1.2
133.10129	16.6
135.08081	2.4
135.11693	14.0
139.11172	1.7
147.11624	1.7
147.55649	1.0
149.09618	2.7
149.13249	43.6
151.11154	3.1
159.11691	32.3
161.13277	3.2
167.14319	1.9
177.12743	18.2
179.14230	1.7
195.13783	22.8
201.33632	1.1
213.14894	1.7
235.62061	1.2
251.25653	1.2
268.26321	1.3
269.17456	84.1
269.26773	3.4
270.14804	1.4
270.17670	2.0
274.79379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2476
Annotation	omega-Cycloheptanedecanoic acid
Peak:m/z	Relative Intensity
53.03947	2.0
55.01865	4.4
55.05262	2.2
55.05511	34.5
57.03425	3.5
57.07075	4.8
59.04980	1.4
64.22823	1.0
67.05167	1.7
67.05505	29.7
69.03440	1.0
69.07066	100.0
69.64932	1.7
69.65312	2.2
71.04994	9.2
71.08620	1.2
71.65129	1.1
72.08140	1.1
73.06554	6.4
79.05491	28.7
80.94865	1.0
81.07055	48.9
82.33573	0.9
83.04982	12.2
83.08620	9.4
85.06518	1.6
85.74342	1.0
91.05478	4.2
93.07042	46.8
95.08604	44.8
97.06530	16.9
97.09589	1.9
97.10162	19.6
104.99261	19.7
105.07036	2.4
107.00351	1.1
107.08572	7.0
109.10162	14.8
111.11722	12.3
121.10143	39.4
123.11707	11.3
135.11682	5.4
137.13248	4.3
139.11172	25.4
144.41934	1.0
145.06583	1.3
149.13237	6.5
151.14795	3.0
159.11696	1.4
161.05992	2.1
163.14799	3.2
165.06972	1.8
166.07709	1.2
167.14299	4.4
177.16383	3.2
181.06458	1.6
181.10118	1.9
182.25749	1.1
186.99533	4.6
193.10155	1.2
194.07249	2.5
195.08029	1.7
196.08862	2.0
209.09608	4.0
210.10408	2.7
211.07547	7.3
216.91777	1.0
223.11024	1.4
224.08287	3.6
226.09875	7.1
227.10802	1.6
233.22585	5.6
237.09200	1.5
238.09813	1.9
239.06961	1.3
241.08493	1.5
241.12199	10.2
251.23692	15.4
254.09398	5.0
254.57797	1.2
255.10225	2.0
269.08673	1.6
269.11725	48.9
269.24728	36.0
270.12286	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	270.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.47470	0.8
55.01862	2.5
55.05517	5.8
56.96569	5.2
57.03430	5.2
58.34578	0.8
61.02932	9.2
69.03430	16.4
69.07069	2.8
69.78603	3.1
70.06570	1.1
71.04989	2.3
73.02920	4.1
73.06556	36.6
81.03413	5.0
83.06084	2.2
85.02905	100.0
86.03246	1.1
87.04458	2.9
89.06036	1.2
91.03963	6.9
95.06097	4.9
97.02891	23.5
97.06525	1.7
98.22678	1.0
98.97599	5.8
99.04452	3.5
108.08091	0.9
108.43673	0.8
109.02887	8.5
110.07166	15.2
116.98652	2.0
127.03917	24.1
127.04865	1.2
130.93312	2.9
133.07603	1.5
134.99675	1.0
136.06190	1.7
138.05463	4.1
145.01756	1.1
145.04961	46.3
156.07719	2.1
160.22461	0.9
163.06018	18.6
172.94350	2.8
173.01256	1.2
174.97629	1.2
178.12285	0.9
179.11801	5.4
181.65942	0.8
182.11774	1.4
189.00674	1.7
190.95374	2.2
192.82478	1.0
196.13382	1.3
202.61562	0.9
206.12856	2.9
217.10710	3.0
224.13971	15.4
226.06099	1.0
227.00687	1.7
228.96834	1.1
234.14929	1.5
252.15979	5.2
253.12801	3.5
263.02939	0.8
270.14423	25.4
270.17059	16.4
270.97702	1.5
287.97870	2.4
289.00708	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	270.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05634	3.3
66.03477	0.8
67.69170	0.7
68.05023	11.1
69.03429	1.2
70.06592	48.1
71.04983	1.7
72.08141	3.3
80.05001	1.3
83.94872	0.7
86.06055	3.3
92.72329	0.6
93.01497	0.7
95.06085	3.7
96.04449	1.3
97.02831	0.9
97.04021	0.9
97.07642	2.5
98.05467	1.4
98.06055	15.0
98.22611	1.6
106.06512	0.7
110.07111	2.2
111.07498	1.0
112.08733	22.6
113.07120	4.3
114.05545	1.6
114.10279	0.8
115.08703	14.8
120.08095	6.0
123.05519	3.5
137.07077	1.9
137.10736	4.5
137.11623	0.7
138.05537	6.8
138.06538	1.2
138.09169	1.4
140.08244	0.7
141.06541	2.3
148.07632	1.2
149.07076	1.9
149.10672	1.1
151.05009	2.8
155.08066	0.9
158.88216	0.8
164.11845	2.7
165.06586	13.7
165.10243	18.8
166.08646	6.3
167.08138	1.9
175.08614	1.0
182.12852	1.1
183.11247	7.5
192.11302	9.7
193.09729	90.2
194.10030	1.5
207.12378	2.5
210.12386	15.8
211.10768	40.7
212.10966	1.0
222.73610	0.7
224.15068	8.0
235.11897	11.9
252.14549	82.4
253.14828	2.5
266.88242	0.7
270.15585	100.0
271.15860	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	270.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86226	1.5
55.05257	3.2
55.05511	43.2
56.05033	8.7
57.07070	3.7
58.09082	1.9
60.04522	5.1
67.05506	4.2
69.07037	2.7
70.06594	2.7
71.08635	2.9
73.82230	1.7
74.06043	3.0
81.07036	4.6
83.08626	20.9
85.35699	1.8
86.09705	100.0
87.10048	3.1
88.07635	30.8
95.08633	2.8
100.04086	1.7
102.79670	1.8
104.99295	3.4
109.10126	1.9
111.65360	1.7
117.48764	1.7
124.60661	1.9
128.10713	50.1
146.11740	16.0
146.91840	1.9
154.18393	2.5
170.11757	93.5
188.12825	39.7
232.75499	1.9
270.27908	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05504	13.0
56.05038	6.3
57.07072	4.4
58.02940	1.8
60.04510	2.4
65.03937	0.9
67.05502	25.1
68.05014	2.8
69.06760	0.8
69.07070	8.4
69.45304	2.7
70.06585	1.8
71.08618	1.6
72.04514	1.2
72.08165	4.1
74.06071	1.1
79.05489	12.8
80.05009	2.8
81.03401	1.1
81.07056	18.3
82.06580	9.7
83.04980	1.2
83.08619	6.9
85.10184	0.8
86.06042	2.8
91.05485	8.8
93.07047	9.0
94.06552	5.0
95.04964	2.0
95.07329	1.8
95.08601	13.2
96.08123	1.8
97.06511	0.9
97.10144	3.1
98.06013	1.6
98.22652	1.3
100.07602	2.4
105.07019	4.2
107.08578	3.1
108.08129	1.1
109.10150	5.4
112.07600	1.4
119.08598	4.3
121.10146	2.8
122.09647	1.2
123.11702	1.7
133.08911	0.7
133.10062	1.5
135.11656	1.6
136.11240	0.9
140.10733	0.7
147.11644	1.2
157.70877	0.8
163.14818	1.1
205.19447	0.9
217.19539	1.3
222.22139	8.2
234.22121	4.3
252.23213	100.0
253.23586	3.3
253.36902	0.8
254.24738	3.1
270.14862	2.8
270.24377	1.3
270.27963	0.9
271.27380	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	271.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
56.96569	37.5
62.23846	0.9
63.31600	0.8
66.65578	0.9
69.03444	1.0
70.06593	2.7
71.32400	0.8
72.08146	1.1
81.03420	1.2
85.02905	2.6
86.09715	3.8
91.03934	1.1
92.05005	3.7
95.06136	1.1
98.97585	100.0
99.04422	1.0
110.06048	18.8
110.07163	3.1
111.07500	1.4
116.00214	2.0
116.98621	46.1
124.99101	2.1
126.02291	1.3
127.00723	0.9
128.98630	1.2
129.08740	0.9
130.93304	0.9
134.01244	2.1
134.99661	12.6
138.05527	1.0
139.05849	1.7
140.03833	2.2
142.05412	3.3
143.00192	4.3
147.03236	0.9
155.00159	0.9
156.07730	1.1
156.96550	1.3
158.04912	3.9
160.06509	5.4
161.01190	2.4
168.07182	0.9
170.04910	2.2
170.99721	1.5
171.03329	3.0
172.94374	2.7
173.01353	1.3
174.97675	2.9
175.04492	1.1
176.05942	1.4
177.00824	1.0
178.07387	1.1
180.12138	1.1
188.05957	3.7
189.00705	12.1
189.04352	12.3
190.95467	1.5
191.02240	0.9
192.98785	2.1
194.09262	3.8
200.99329	1.2
202.07565	1.1
206.06987	7.6
207.01836	10.9
207.05396	3.7
208.99634	1.7
212.05998	0.9
212.10217	1.0
219.02040	1.3
221.03488	0.8
224.08090	7.4
225.14328	2.4
227.00728	4.4
230.03502	1.8
230.06984	38.4
231.05392	2.0
231.99944	1.4
234.99596	1.2
238.53545	1.1
245.01898	2.6
245.99718	1.0
248.08067	61.7
263.02872	1.2
266.09134	3.3
270.99792	4.0
271.14713	6.7
271.17261	1.5
272.11325	2.7
272.15878	1.0
289.01001	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	271.133
Annotation	9,10-Dihydro-3,4,7-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01850	0.8
63.83292	0.5
69.03443	1.4
69.33442	2.4
70.06580	1.5
70.92373	0.5
72.08167	3.9
79.05475	0.8
81.03434	0.5
91.05478	2.6
93.07047	0.7
98.23493	0.7
105.07035	1.2
107.04948	1.9
121.06511	4.2
123.00777	0.5
123.08049	0.6
135.08037	1.0
137.05951	1.6
137.09560	0.7
139.07541	2.0
141.06973	0.6
141.13896	1.0
147.08070	0.6
149.05957	0.9
151.07486	0.7
153.06918	0.6
155.08551	2.3
161.87735	0.5
165.07039	1.4
165.09111	1.2
167.07040	3.3
167.08551	2.3
171.08087	1.0
173.09669	0.8
178.07729	3.3
179.08537	1.5
181.06477	3.6
182.07216	0.7
183.08069	1.3
183.11803	1.1
185.09621	0.6
192.09332	1.0
193.10127	9.7
194.89609	0.6
195.08066	5.4
195.11684	0.9
196.08833	7.1
197.09641	2.7
203.08698	0.6
205.06555	0.7
206.07234	1.5
207.08060	1.1
207.11685	0.7
208.08722	1.2
209.09573	1.0
210.10408	5.9
211.07654	1.1
211.11203	13.5
213.09114	2.6
221.09546	5.8
222.10397	2.6
223.07552	2.4
223.11111	1.0
224.08351	9.4
225.09174	5.2
225.12750	10.5
225.14735	0.3
227.07037	0.7
227.10768	0.8
228.11475	1.3
229.12228	1.1
237.09123	1.0
238.09860	9.2
239.10680	31.8
240.11441	18.2
241.08630	8.8
241.12021	0.9
243.10146	0.7
243.13849	3.1
253.12248	17.2
254.12675	1.3
254.17574	0.7
255.10231	2.8
256.10947	22.0
257.11414	0.9
271.05936	3.0
271.13287	100.0
272.13507	3.7
272.16519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1331
Annotation	3,5,4'-Trimethoxy-trans-stilbene
Peak:m/z	Relative Intensity
50.88749	1.3
53.03936	1.4
55.85283	1.2
55.94751	1.3
57.07070	3.2
67.05504	2.3
68.99803	1.7
69.07076	1.4
70.06575	2.4
71.08619	1.8
72.08160	5.9
79.05495	3.2
80.74265	1.3
81.03438	1.6
81.07048	6.0
91.05495	9.8
93.07005	1.9
95.04991	1.8
95.08614	2.3
99.55573	1.3
105.07040	9.2
107.04949	4.4
107.08634	2.3
109.06542	5.2
115.61704	1.2
117.07034	1.6
119.08581	2.6
121.06507	63.4
123.03629	1.4
123.04388	6.5
123.08083	3.0
133.06479	6.2
135.04422	6.8
135.08052	27.9
137.05978	49.3
147.08057	11.7
148.08810	5.4
149.04851	2.7
149.05980	42.0
149.83669	1.4
151.07555	6.3
161.09593	2.3
163.07526	16.5
175.07510	4.3
176.08282	2.3
193.10088	2.9
195.08070	3.7
196.08784	1.7
211.07733	1.9
211.11162	6.4
213.09348	1.7
221.09579	2.7
224.08368	3.3
225.12637	2.1
238.09975	3.4
239.10663	13.1
240.11362	3.2
241.08487	1.8
243.10445	1.9
253.12254	3.5
256.10886	6.5
264.70822	1.5
270.31506	4.2
271.09793	4.7
271.13284	100.0
271.31705	2.0
272.13608	2.7
272.29483	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	271.1334
Annotation	Conferol B
Peak:m/z	Relative Intensity
55.05502	5.0
57.07071	4.4
61.73530	3.3
67.05517	5.5
67.45874	3.4
69.03420	4.9
71.45530	3.9
72.08164	11.7
79.05504	10.8
81.07068	20.8
83.08639	4.1
88.07633	5.4
91.05494	39.1
93.07045	11.5
95.08606	5.7
97.06499	3.3
105.07022	11.7
107.04916	6.5
107.08631	3.8
109.02836	3.5
109.06538	21.6
109.10186	5.9
119.06079	8.8
120.52744	3.5
121.06508	100.0
134.07271	3.8
135.08066	52.6
137.05989	84.4
141.13800	6.0
149.05997	13.2
151.07538	12.0
163.07547	39.1
165.09145	16.4
177.09094	8.8
196.08746	4.7
197.90726	3.3
211.07469	5.7
213.09164	6.1
213.18494	11.5
239.10750	9.1
243.10112	4.6
243.13866	3.5
253.12233	6.5
256.10834	9.0
271.09647	22.1
271.13196	40.9
272.16348	8.2
272.25858	13.2
272.29523	3.6
284.14294	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	272.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05497	0.7
56.05037	0.8
56.96558	0.9
58.39161	0.4
60.05645	4.4
62.92315	0.4
63.74385	0.4
63.89281	0.4
64.95532	0.5
66.94788	0.4
69.03421	0.6
69.07040	0.5
70.06593	100.0
71.06910	0.7
72.08154	3.4
79.05513	0.8
81.07065	1.0
82.06575	0.8
83.06108	0.6
84.08142	0.9
86.09754	1.1
93.07045	0.5
95.06126	1.5
96.08167	1.0
97.06509	0.4
98.06046	2.6
98.97605	1.3
100.07628	0.5
102.82149	0.4
110.07165	7.0
110.07822	0.5
110.09704	0.7
112.08729	5.8
112.11256	1.0
114.09282	0.5
115.08734	0.8
116.07083	8.7
116.98651	0.7
118.08687	0.5
122.09725	0.6
124.11230	6.9
125.06071	1.7
126.05649	0.5
127.08677	26.8
128.07158	0.8
136.11288	0.9
137.12050	1.0
138.12822	0.5
140.07169	0.5
140.08177	0.7
143.00221	0.7
148.11177	2.1
155.08153	20.0
156.07722	0.8
157.10977	1.9
158.09377	1.8
162.12762	3.2
162.68057	0.5
163.12411	0.7
163.13676	0.9
169.09764	0.7
173.09325	0.8
175.11905	6.1
180.13832	12.3
182.11946	0.6
184.34326	0.4
185.56148	0.5
189.00929	0.7
192.11423	0.5
195.11475	1.4
201.12447	0.7
207.01857	0.6
208.14603	0.8
208.17055	0.5
213.12323	2.9
215.13927	7.3
218.15550	0.7
226.15518	2.4
236.16443	14.7
238.12067	0.5
249.03038	1.0
254.15158	2.1
254.17529	25.8
255.14676	2.8
255.17856	0.9
267.04156	0.6
272.18854	76.3
273.19104	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	272.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42976	0.9
55.05529	1.0
57.07074	4.4
62.06094	2.5
67.38379	1.0
71.08623	1.2
86.06051	1.3
86.09713	100.0
87.10004	1.2
90.49464	1.1
100.07568	1.2
112.03405	1.0
127.15650	1.0
127.66335	1.1
128.10727	47.1
129.11111	1.3
146.11812	2.5
160.07289	1.1
170.11778	81.3
171.12103	1.2
173.24643	1.2
186.95558	1.1
188.12863	1.3
192.22771	1.1
230.21143	2.9
272.11679	1.2
272.16492	3.5
272.22229	4.0
272.26181	1.3
272.29462	18.2
273.18362	1.2
280.75659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
56.34451	0.3
57.03400	0.5
57.06824	0.5
57.07074	6.4
67.05507	2.6
69.07069	16.5
69.21198	0.3
69.45512	1.2
69.45909	0.6
71.04993	0.9
71.08281	0.4
71.08635	5.3
73.02916	11.2
73.06548	0.8
79.05474	0.8
81.07058	23.4
83.08616	1.8
85.10166	1.0
86.09677	0.5
87.04445	1.2
93.07021	0.3
95.08608	31.7
96.08919	0.3
97.10160	2.1
99.04536	0.3
99.08074	1.0
99.95673	0.3
101.05997	1.4
104.22965	0.4
109.10156	16.0
111.11733	1.6
123.11752	0.8
139.78204	0.4
151.14828	16.7
155.73543	0.4
169.15840	0.5
176.94801	0.4
193.73215	0.3
213.18492	100.0
214.18829	3.1
272.16360	0.9
272.25842	57.6
273.26175	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	272.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	18.7
58.06594	1.7
59.85087	0.6
62.06088	19.2
71.08630	8.9
72.08172	0.6
75.49663	0.7
76.07623	1.0
85.10176	5.0
88.07631	1.0
91.92713	0.5
92.20788	0.6
156.58163	0.6
254.24692	1.2
272.29459	100.0
273.29807	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	273.1123
Annotation	Densiflorol A
Peak:m/z	Relative Intensity
55.01873	1.3
67.05524	1.3
69.03420	2.0
69.07066	0.9
71.05000	1.2
77.03938	1.1
78.31908	0.7
78.87602	0.6
79.05499	6.8
81.03415	1.0
81.07060	2.1
83.04984	1.3
85.06543	0.8
85.99263	0.6
91.05485	9.9
92.88820	0.6
93.07029	1.5
95.04959	3.0
97.06551	4.6
98.22707	2.0
103.05473	10.7
105.03410	1.2
105.04471	1.0
105.07020	3.8
107.04954	26.8
109.02901	0.9
109.06499	3.3
111.04402	1.5
111.08060	1.3
115.19144	0.7
119.04932	2.6
119.08566	0.8
121.06515	12.9
123.04440	5.8
124.05251	1.7
125.06027	0.9
128.24471	1.0
131.04951	10.4
133.02861	2.7
133.06509	1.0
135.04420	27.5
135.08089	3.9
137.05980	24.6
138.06725	2.6
139.07573	6.9
141.06987	1.1
143.04878	0.9
145.10159	1.0
146.43785	0.7
146.78391	0.7
147.04425	1.7
148.05186	2.2
149.05986	20.3
150.06718	2.6
151.07558	6.1
152.06166	2.4
153.06995	1.9
154.07797	1.2
157.10063	0.9
158.65706	0.7
162.03119	0.9
163.03896	1.3
163.07561	2.9
164.08357	9.8
164.40242	0.8
165.07007	2.3
166.07793	1.0
167.08511	1.8
167.99806	0.7
169.06480	1.8
173.02356	9.0
173.06024	1.2
175.07506	2.4
177.05473	2.6
177.09056	0.7
180.05698	1.8
181.06494	4.2
182.07269	1.3
184.08986	0.9
185.05951	1.1
185.09561	1.6
195.08047	8.4
196.08844	2.5
197.05986	5.3
198.06679	2.4
199.07477	1.4
209.06006	1.3
209.09634	0.8
210.06764	0.8
211.07501	0.8
212.08383	3.3
213.05614	0.7
213.09138	5.1
213.12663	1.1
215.07079	4.4
223.07532	2.5
225.05469	2.2
226.06276	2.1
227.07085	1.7
227.10625	5.6
227.14349	1.6
240.07899	1.7
241.08621	8.0
242.09212	3.6
243.06544	1.6
247.24876	0.7
255.10170	2.8
258.08987	4.7
273.11212	100.0
274.11472	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	273.1122
Annotation	Densiflorol A
Peak:m/z	Relative Intensity
53.03941	0.9
55.01877	0.5
65.03938	0.7
67.05500	0.7
69.12350	3.3
75.89558	0.5
79.05481	4.0
81.03418	0.8
89.03915	1.1
91.05479	9.1
95.04964	2.6
95.08607	1.6
97.06516	1.1
103.05477	9.8
105.04537	0.7
105.07017	3.1
107.04958	28.8
108.05780	0.6
109.02857	0.7
109.06504	3.0
109.10156	0.9
111.04442	1.8
111.73301	0.5
117.03388	0.7
119.04932	1.8
119.67485	0.8
120.05672	0.8
121.06501	12.0
123.04426	5.2
124.05209	1.8
125.06045	0.9
129.07024	0.5
131.04926	11.1
132.98834	0.5
135.04417	26.9
135.08049	3.9
137.02385	0.9
137.05981	26.8
138.06795	3.2
139.03136	0.5
139.07541	7.4
139.11174	0.7
141.06976	1.2
148.05182	1.2
149.05978	24.0
150.06740	2.2
150.24135	0.5
151.05486	0.5
151.07533	7.3
152.06245	1.4
153.06938	1.3
159.11684	0.6
161.05998	0.9
163.07529	3.1
164.08328	12.7
165.07018	1.8
165.09109	1.2
166.07616	0.5
167.08582	1.7
169.06413	2.5
171.07994	0.6
173.02318	3.4
173.05995	0.8
175.07581	1.1
177.05530	1.3
177.06964	0.7
180.05644	1.1
181.06488	4.7
182.07228	1.1
187.07532	0.9
189.09157	0.6
195.08041	6.2
196.08836	3.0
197.05983	5.6
198.06670	2.3
199.07521	1.3
201.05292	0.7
207.98639	0.6
208.05145	0.7
209.05975	1.1
211.07536	0.8
212.08386	4.3
213.09056	3.9
215.07083	3.3
223.07556	2.8
224.08252	1.6
225.05519	2.1
225.08890	0.7
226.06238	1.0
227.07018	1.9
227.10651	5.0
229.08484	0.8
240.07796	2.4
241.08545	3.5
242.09338	3.9
243.06601	0.9
255.10091	3.3
257.08029	0.7
258.08929	4.9
263.24097	0.6
273.11218	100.0
274.11606	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	273.1123
Annotation	1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
51.02384	0.3
53.03938	0.7
54.48817	0.3
55.01858	0.3
55.05510	0.5
55.50546	0.3
56.98513	0.4
58.05111	0.3
59.04963	0.4
63.20068	0.3
67.05499	0.6
70.25056	0.3
77.03934	1.3
79.05493	9.4
81.03405	0.4
81.07049	0.8
91.05482	4.0
93.07036	0.6
95.04977	3.9
95.08622	0.4
97.06507	0.3
103.05456	0.4
104.68480	0.3
105.03403	0.5
105.04530	1.5
105.07050	1.0
107.04955	100.0
108.05265	1.7
109.06528	1.4
109.10115	0.5
111.04412	0.9
112.68200	0.3
119.04960	3.3
119.08598	0.8
121.06511	2.7
123.04432	0.6
124.05199	2.0
125.05984	4.3
131.04901	2.1
133.02829	1.8
133.06476	0.9
135.08058	0.5
137.05995	2.7
139.03922	0.8
139.07541	26.4
140.07802	0.5
147.04439	0.4
147.08028	0.7
150.62704	0.3
151.07558	1.3
152.06187	1.4
153.05475	8.5
153.06776	0.4
157.10088	0.4
159.08070	0.4
161.05989	1.2
161.09613	0.5
165.06982	0.7
166.07796	0.6
167.07056	35.5
167.08508	3.9
168.07355	0.6
169.06445	1.2
177.05478	0.7
177.06987	1.1
179.07025	1.0
179.08427	0.3
181.06480	1.4
181.09651	0.3
184.08864	1.7
185.09645	0.4
193.12296	0.5
194.07263	0.6
195.08055	7.9
195.09853	0.5
196.08765	1.7
197.05981	2.9
197.09605	0.7
199.11122	0.8
209.09616	1.1
211.07553	0.9
212.08344	4.6
213.08937	0.5
223.07556	1.3
224.08292	0.3
225.05457	0.4
225.14763	0.4
227.10666	41.3
228.11006	1.4
234.84062	0.3
240.07816	1.5
241.08527	0.6
242.09431	0.4
255.10158	24.4
256.10553	0.6
273.11203	7.4
273.18408	1.1
273.26160	0.6
274.11371	0.4
275.11667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1487
Annotation	Methallenestrilphenol
Peak:m/z	Relative Intensity
54.46091	1.1
54.62256	1.1
55.01867	4.6
57.03430	1.5
67.05517	2.7
69.03417	1.3
70.38895	2.4
71.04989	1.8
72.08135	1.1
79.05489	4.6
81.07047	3.5
83.04991	2.1
84.72941	1.3
91.05480	45.5
93.07035	1.7
95.04976	1.7
95.08595	3.1
98.97573	2.0
99.83266	1.2
103.05466	2.8
105.07030	56.3
107.08540	1.9
109.06520	2.4
111.04465	1.3
115.05451	5.8
117.07008	11.6
121.06511	4.1
122.07346	1.3
123.08054	1.8
128.06233	2.7
129.06995	6.9
131.08588	6.9
135.08055	10.7
136.08885	1.4
141.06989	7.8
143.08549	9.8
151.07547	1.5
152.06244	1.6
153.06960	5.9
155.08554	8.4
157.10143	2.1
163.07607	1.3
165.06990	11.6
166.07747	6.8
167.08574	18.7
168.09329	1.5
169.10136	5.9
171.08067	1.2
171.11714	5.3
178.07756	4.9
179.08557	14.2
180.09348	9.0
181.06471	1.9
181.10097	20.7
182.10780	1.3
183.11723	4.8
187.07552	1.4
188.98753	1.1
191.08546	3.1
192.09344	23.1
193.10149	13.9
194.10918	11.8
195.08000	6.4
195.11694	15.9
196.08878	2.2
197.09662	2.7
197.13194	1.6
198.10429	9.6
199.11151	4.4
204.09375	3.6
207.11685	22.2
209.09618	1.8
209.13260	42.5
210.10374	9.7
210.13519	1.5
211.11139	6.6
212.11813	1.3
213.09152	2.5
213.12778	9.2
219.11743	6.6
222.10381	5.0
225.12744	43.8
226.12984	1.4
227.14307	10.3
237.12726	25.8
237.14992	1.9
241.08469	1.2
243.13736	1.9
255.13800	100.0
255.46568	1.4
256.14087	2.4
273.11288	2.9
273.14731	17.1
274.18057	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	273.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46091	1.1
54.62256	1.1
55.01867	4.6
57.03430	1.5
67.05517	2.7
69.03417	1.3
70.38895	2.4
71.04989	1.8
72.08135	1.1
79.05489	4.6
81.07047	3.5
83.04991	2.1
84.72941	1.3
91.05480	45.5
93.07035	1.7
95.04976	1.7
95.08595	3.1
98.97573	2.0
99.83266	1.2
103.05466	2.8
105.07030	56.3
107.08540	1.9
109.06520	2.4
111.04465	1.3
115.05451	5.8
117.07008	11.6
121.06511	4.1
122.07346	1.3
123.08054	1.8
128.06233	2.7
129.06995	6.9
131.08588	6.9
135.08055	10.7
136.08885	1.4
141.06989	7.8
143.08549	9.8
151.07547	1.5
152.06244	1.6
153.06960	5.9
155.08554	8.4
157.10143	2.1
163.07607	1.3
165.06990	11.6
166.07747	6.8
167.08574	18.7
168.09329	1.5
169.10136	5.9
171.08067	1.2
171.11714	5.3
178.07756	4.9
179.08557	14.2
180.09348	9.0
181.06471	1.9
181.10097	20.7
182.10780	1.3
183.11723	4.8
187.07552	1.4
188.98753	1.1
191.08546	3.1
192.09344	23.1
193.10149	13.9
194.10918	11.8
195.08000	6.4
195.11694	15.9
196.08878	2.2
197.09662	2.7
197.13194	1.6
198.10429	9.6
199.11151	4.4
204.09375	3.6
207.11685	22.2
209.09618	1.8
209.13260	42.5
210.10374	9.7
210.13519	1.5
211.11139	6.6
212.11813	1.3
213.09152	2.5
213.12778	9.2
219.11743	6.6
222.10381	5.0
225.12744	43.8
226.12984	1.4
227.14307	10.3
237.12726	25.8
237.14992	1.9
241.08469	1.2
243.13736	1.9
255.13800	100.0
255.46568	1.4
256.14087	2.4
273.11288	2.9
273.14731	17.1
274.18057	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	273.1487
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
55.05492	0.7
57.07067	1.7
62.06072	1.4
67.05501	1.9
77.03902	1.2
77.35517	0.6
79.05492	1.5
81.07064	1.0
91.05477	9.6
93.07043	14.6
95.04961	5.7
98.23544	0.9
98.97562	1.2
103.05466	12.5
105.04500	1.4
105.07065	1.6
107.04958	2.7
107.08587	0.8
115.05479	0.9
116.98602	1.0
117.07042	2.2
119.08546	3.7
121.06506	100.0
122.06837	1.7
131.08533	0.8
135.08026	1.7
136.08325	0.8
145.10060	0.9
149.09598	1.5
153.09146	1.5
164.08351	2.9
165.09108	1.5
166.09799	1.1
179.10677	17.9
213.83336	0.6
229.65533	0.6
255.17542	0.8
268.93951	1.0
272.29498	7.6
273.11783	1.2
273.14874	19.8
273.18484	3.7
273.23047	1.2
273.29889	3.7
274.27438	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	274.144
Annotation	Norgalanthamine
Peak:m/z	Relative Intensity
55.01834	0.7
55.05470	0.4
57.03382	0.6
65.87737	0.4
67.05444	0.4
69.03396	0.6
69.40368	1.2
71.04993	1.5
79.05500	3.1
79.12638	0.3
81.03375	0.4
81.07011	0.5
82.06532	0.6
89.61021	0.3
91.05418	1.0
91.21435	0.3
95.04900	0.8
98.22720	0.7
99.04451	3.1
103.83781	0.3
105.07042	0.3
107.04957	5.4
109.06449	0.4
110.05981	0.5
115.05350	0.3
116.57379	0.3
117.06970	0.7
119.04927	0.3
125.05928	0.5
127.39473	0.3
128.06171	1.0
129.06992	2.5
130.06491	0.4
131.04132	0.3
131.04926	3.9
131.08516	1.0
133.06395	0.4
138.00656	0.3
140.07033	0.4
141.06960	0.4
143.08566	2.7
144.05708	0.7
145.05508	0.3
145.06488	2.3
147.08040	0.7
148.07428	0.3
150.09109	0.6
153.06964	0.6
154.79466	0.3
155.08456	1.0
156.09326	0.7
157.06487	8.1
157.10028	0.7
158.07278	3.9
159.08025	1.8
162.12737	0.5
165.06963	0.5
169.06453	0.8
170.07271	0.4
171.08057	11.6
171.11621	0.4
174.12712	0.3
176.10724	0.3
181.10100	1.1
183.08075	1.8
184.08784	0.5
185.09567	1.3
186.09125	0.5
186.12801	0.4
198.09213	0.6
199.11206	2.0
200.10727	0.5
201.09180	0.4
227.10683	0.4
228.13760	0.6
229.08534	1.6
231.10168	20.2
232.10574	0.6
245.11732	100.0
246.12077	2.8
246.18523	0.9
256.13333	3.4
257.11752	1.1
274.14395	85.5
274.17932	10.8
275.14780	3.4
275.17984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08852	0.4
55.01866	0.5
55.05510	2.4
56.96557	0.6
69.03427	5.0
70.06594	2.6
71.04969	0.7
79.05508	2.0
81.07052	0.8
82.06554	0.3
82.16454	0.3
83.04978	2.3
83.08607	0.4
84.08141	0.5
86.06064	2.5
86.09692	1.6
87.04465	19.9
88.04852	0.4
96.08128	16.3
96.08743	0.8
97.06521	1.5
98.05462	0.7
98.06054	7.2
98.97565	1.9
107.08572	1.6
112.07621	0.6
116.07096	0.8
116.98625	0.5
124.07594	2.8
124.11221	7.6
125.06023	0.9
125.09635	10.3
126.10033	0.3
135.08047	4.3
140.10716	0.7
142.08603	0.4
152.10701	14.9
153.09116	6.1
156.10234	0.7
157.13373	0.5
164.10677	0.7
168.10214	1.2
170.11749	5.8
171.10176	1.0
182.11766	18.5
183.12070	0.8
188.12759	0.9
188.65428	0.4
192.13893	0.4
205.55400	0.3
210.10956	0.4
210.14882	6.4
220.13339	1.0
225.43974	0.3
228.16008	0.4
238.14371	4.7
239.14444	0.4
247.71381	0.4
256.15427	23.0
257.15842	0.8
274.16479	100.0
274.97421	2.1
275.16843	3.8
292.98685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1803
Annotation	Tropanserin
Peak:m/z	Relative Intensity
52.75275	0.2
55.04242	0.2
55.21200	0.2
69.03430	0.3
73.01247	0.2
79.05487	0.3
81.07054	1.9
91.05497	0.2
96.08122	0.4
101.13806	0.2
108.08128	2.5
109.06476	0.4
109.08897	3.2
117.41663	0.2
120.08046	0.2
122.09664	55.3
123.09999	1.1
136.11217	11.2
137.05994	1.8
137.11998	100.0
138.12680	2.7
177.08620	0.2
245.11766	0.6
253.48058	0.2
274.18002	47.3
275.12878	0.3
275.18307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1803
Annotation	Tropanserin
Peak:m/z	Relative Intensity
54.62423	0.4
59.01853	0.3
60.72051	0.3
63.46202	0.3
69.46968	1.1
70.06583	0.6
79.05480	0.4
81.07047	1.8
96.08118	0.6
98.67613	0.3
108.08112	2.5
109.06499	0.8
109.08911	3.0
122.09667	52.6
123.09959	0.9
134.09610	0.5
134.66722	0.4
136.11223	11.2
137.05997	1.8
137.12000	100.0
138.12869	3.0
162.12793	0.5
274.18015	56.8
275.18384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2015
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
53.03946	0.5
55.01884	0.5
55.05512	9.2
67.05510	0.5
69.03436	3.5
69.26809	1.9
70.06581	2.2
71.04996	1.0
72.08138	0.5
73.06566	4.2
76.41414	0.4
79.05495	1.2
81.07059	1.1
82.06591	0.7
83.04994	1.4
84.08144	1.7
86.09715	1.0
91.05489	0.7
96.08134	23.9
97.02848	0.5
97.06535	1.8
97.08927	0.6
98.09690	0.5
98.97581	2.6
102.09190	1.1
107.08589	2.1
109.06506	0.6
110.09687	0.6
116.98627	1.9
122.09721	0.6
124.07614	0.5
124.11238	10.1
125.05988	1.0
125.09636	7.0
134.99669	1.2
135.08063	0.5
137.06006	1.1
142.12308	1.1
150.09232	0.5
152.10706	27.1
153.09143	3.7
153.11058	0.8
157.76440	0.5
168.13849	31.4
169.14227	0.6
170.11769	4.5
176.14401	1.1
182.11905	0.5
184.13332	7.0
196.16945	0.7
211.06075	0.6
224.16449	1.6
242.17513	9.3
242.19849	0.6
256.19086	36.9
257.06564	0.6
257.19482	1.2
263.66327	0.5
274.20181	100.0
274.67795	0.6
274.97485	2.4
275.20673	2.2
292.98602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2742
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
55.05505	0.3
57.06823	0.4
57.07080	6.5
58.06602	0.7
58.33432	0.3
62.06096	0.4
62.35448	0.2
69.81414	0.9
70.06598	10.7
71.08635	2.7
85.10187	1.0
86.06054	0.3
88.07635	14.8
89.07976	0.2
91.33681	0.2
98.23366	0.3
102.09170	3.5
106.08674	7.2
113.62232	0.3
119.16734	0.2
147.51768	0.3
212.23769	0.3
230.24738	0.7
256.26367	5.7
274.27414	100.0
275.27707	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	274.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93277	0.3
57.06821	0.5
57.07079	7.6
58.06588	0.6
61.07199	0.3
62.06093	0.5
69.97803	0.5
69.98122	0.4
70.06593	11.2
70.30328	0.3
71.08630	3.3
79.29887	0.3
85.10180	1.2
88.07632	15.4
102.09183	4.4
106.08672	8.6
128.58464	0.3
161.71320	0.3
165.01576	0.3
182.65536	0.3
191.54642	0.3
208.67825	0.3
212.23808	1.0
230.24721	0.6
256.26334	5.4
257.80969	0.3
274.27399	100.0
275.27783	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	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03105	1.6
55.05499	2.4
56.96568	12.2
61.10580	1.5
69.03432	2.7
69.53382	6.4
82.15560	1.5
85.02928	1.6
90.02431	1.5
98.97587	100.0
105.07041	1.6
112.68645	1.4
116.98629	51.4
120.71049	1.9
125.02348	2.9
125.09644	4.6
126.09958	1.8
134.99644	17.6
154.09392	1.9
155.85532	1.5
167.07025	2.7
172.94345	4.1
181.05275	1.6
190.95328	2.7
195.06525	2.7
210.23784	1.4
232.96492	5.8
241.07076	3.2
250.97566	3.6
256.96503	12.2
274.16333	7.3
274.97513	82.8
275.10971	3.8
275.14160	2.6
275.16714	7.0
275.98026	1.6
276.15762	4.1
292.98550	34.8
297.99338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74976	2.2
56.05041	3.2
56.96563	12.4
57.66466	2.6
60.05638	7.7
62.71641	2.5
69.03420	4.0
70.06593	33.9
71.43666	3.1
72.08163	24.5
72.31332	2.3
74.93754	2.9
84.04497	9.2
84.08145	100.0
85.01105	5.1
86.09706	43.0
87.04447	3.2
87.10038	6.5
93.01409	2.3
93.28307	3.3
98.06040	2.8
98.97591	16.4
101.00889	6.6
101.10796	3.1
102.01009	4.4
102.03752	3.2
102.96925	3.6
103.00641	2.7
103.02451	5.4
110.07148	6.3
110.09682	3.8
112.08684	2.7
113.00046	2.9
113.07124	7.4
116.07107	9.5
116.98611	5.2
117.04106	2.5
119.01910	16.8
120.02037	7.9
121.01675	10.9
125.07100	10.0
125.09617	7.7
128.10699	3.6
129.10255	22.5
130.08665	9.4
130.09735	4.8
132.10199	3.3
133.03436	15.5
137.02905	3.4
139.02695	3.0
145.03410	5.4
145.80296	2.8
147.11243	3.1
151.04492	4.8
153.09084	5.2
153.67416	2.6
157.03485	3.6
158.09254	4.7
169.09688	3.3
172.97562	3.1
173.12904	5.0
175.04507	3.3
175.11922	14.1
176.12314	3.6
177.19150	2.7
178.33339	2.7
182.11864	2.9
185.02922	3.0
186.09833	4.1
187.04439	3.1
187.09915	14.3
188.09453	13.9
190.98634	3.3
196.33194	2.7
201.06174	7.5
206.10657	4.0
214.09422	3.4
215.04066	3.7
215.09418	21.7
216.09084	17.0
229.05598	9.9
232.10283	7.5
233.10475	50.3
234.10088	36.2
247.06639	5.0
252.07336	5.0
257.04938	3.2
257.16010	7.7
258.14456	6.0
263.09073	3.8
274.16687	4.3
274.18893	22.4
274.27332	4.0
274.97394	9.0
275.01541	11.4
275.06024	14.6
275.10834	7.4
275.16608	20.3
275.21103	4.2
276.02283	5.8
276.13751	12.2
292.98410	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	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58214	0.4
56.44172	0.4
56.96555	3.0
69.03425	0.5
70.06604	2.1
70.95863	0.9
72.08137	1.4
74.77582	0.4
84.04532	0.6
84.08139	3.7
86.09698	0.9
87.04470	0.7
88.04002	0.5
92.47890	0.4
98.06048	0.6
98.97585	19.6
101.00886	3.1
109.69398	0.4
116.98620	9.1
117.93714	0.4
119.01924	8.9
120.01936	0.5
125.09615	1.0
125.85989	0.4
126.09975	1.4
127.02405	0.7
129.10201	0.6
131.01842	0.6
134.99655	3.3
137.01994	0.4
137.02948	1.8
143.01932	0.8
145.03482	3.6
153.09142	0.7
154.09465	0.8
155.02002	0.5
159.02734	0.6
159.04991	3.2
161.02896	0.9
163.04529	0.9
169.03453	1.1
171.01405	0.5
172.94307	0.6
173.02919	0.7
177.06059	1.0
185.02940	1.5
187.04518	2.2
189.02455	1.6
190.95412	0.7
196.05649	1.1
197.02936	0.7
197.07716	0.7
198.15630	0.5
201.68575	0.6
203.03996	1.4
205.05498	0.6
207.03453	0.6
208.96191	0.7
213.02469	0.9
214.95248	0.6
215.09088	0.6
229.05554	0.6
231.03358	0.7
232.96269	1.7
239.09969	1.1
250.97362	0.8
252.03929	1.2
256.96463	2.1
257.10947	0.6
257.15875	1.0
274.97513	16.3
275.11008	100.0
275.16565	6.3
276.01877	0.7
276.11414	2.9
292.98526	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	275.1279
Annotation	3,4-Dihydroxy-3',5'-dimethoxybibenzyl
Peak:m/z	Relative Intensity
51.78981	0.4
53.03938	1.1
55.01866	0.9
57.03433	0.7
65.03947	0.9
67.05504	2.4
68.99782	0.8
69.03439	2.4
69.35102	0.8
69.35497	0.9
71.61857	0.3
77.03930	1.5
79.05492	16.5
80.45446	0.3
81.07057	25.3
88.21072	0.3
91.05482	11.5
92.06255	0.5
93.07056	0.7
94.04198	2.0
95.04965	4.3
103.05464	10.8
105.04546	0.9
105.07029	35.4
107.04942	2.9
107.08585	0.8
108.02892	0.3
109.02827	0.4
109.06518	24.8
112.26501	0.4
115.05495	0.5
117.06976	0.6
118.04169	0.5
119.04926	3.9
119.06143	0.4
119.08620	0.4
120.05724	6.0
121.06503	5.9
122.07283	1.3
123.04429	15.1
123.08060	1.5
133.06514	1.7
134.07292	0.8
135.04414	0.5
135.08051	11.0
137.05975	67.0
138.06508	1.4
139.07520	3.1
149.05960	0.9
149.07101	0.6
150.06764	9.8
151.07539	24.8
151.74876	0.4
152.08322	4.6
153.09117	3.1
159.08075	0.4
165.09114	100.0
166.09496	2.1
169.09988	0.4
197.09303	0.4
207.57072	0.4
257.11789	0.7
275.12772	100.0
276.13141	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	275.128
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
53.03937	0.7
67.05505	0.8
69.03431	1.1
69.19066	1.9
77.03925	1.8
79.05506	3.6
81.07059	2.8
91.05485	8.5
93.07046	12.2
95.04975	4.0
99.04453	0.4
103.05466	10.1
103.06116	0.9
105.04526	2.2
105.07044	3.1
107.04958	27.6
109.06554	3.2
119.04957	2.6
121.06509	100.0
122.06842	1.6
123.04411	2.9
125.05988	0.7
133.10014	0.5
135.08076	1.3
135.27284	0.4
137.05981	31.5
138.06258	0.6
145.06487	0.6
149.05992	2.6
150.06725	0.8
151.07532	2.2
152.08401	0.4
160.94051	0.4
163.44498	0.4
163.72694	0.4
165.09123	7.8
181.08623	2.2
197.09567	0.7
201.08949	0.5
210.06734	0.5
215.10721	0.6
225.09128	2.8
243.10178	7.1
264.15036	0.4
275.12814	9.0
276.13040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.7
54.53329	0.5
55.01878	4.7
55.05256	1.1
55.05515	21.0
57.03430	2.0
57.07090	1.4
59.05012	0.8
65.03949	1.3
67.05508	28.4
69.03421	1.4
69.07075	8.4
71.04990	2.4
77.03914	1.0
79.05496	35.8
81.03422	1.0
81.07057	20.3
83.04979	1.7
83.08622	5.8
85.06544	1.0
88.07624	0.8
91.05483	31.3
93.07050	21.8
93.07505	0.4
95.04968	3.9
95.08610	10.1
97.06528	3.7
97.10155	4.2
98.97548	0.7
103.05442	0.9
105.04536	1.1
105.07034	37.4
106.08643	0.6
107.04958	22.7
107.08594	26.2
109.06505	2.4
109.10159	12.0
111.08081	1.0
115.05498	1.0
116.06290	0.6
117.07016	10.7
119.08582	26.5
121.06518	2.1
121.10152	10.3
123.08076	1.8
123.11723	3.3
125.09647	3.8
129.07014	1.8
130.07794	0.8
131.08565	11.9
133.06512	1.0
133.10133	26.3
135.08073	5.5
135.11708	3.4
137.09621	1.9
141.06970	0.7
143.08569	1.9
145.10124	10.6
147.08003	1.6
147.11685	15.3
149.09622	42.1
149.13254	1.0
151.11160	1.3
153.09131	1.9
157.10106	3.0
159.11713	7.8
161.13280	5.8
163.11206	2.6
167.10733	0.9
168.09285	0.7
169.10115	1.8
169.12289	2.0
171.10306	0.8
171.11722	2.6
173.09619	0.7
173.11743	4.2
173.13301	4.5
175.14856	1.3
177.12720	1.2
177.79388	0.6
183.11723	1.9
185.13324	0.7
187.11212	1.7
187.13283	1.1
187.14842	1.6
189.12785	0.8
193.12222	0.6
197.13271	2.3
201.16457	0.7
205.12201	0.7
211.14806	0.8
213.16408	0.9
215.17989	1.9
225.99635	0.6
229.15965	1.3
229.19499	5.7
230.20093	0.6
233.15445	1.1
239.17975	3.7
247.20529	2.2
257.18991	14.2
258.19217	0.7
274.27396	1.1
275.20071	100.0
275.27722	6.9
276.20386	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	0.9
55.01868	2.1
55.05262	0.9
55.05510	11.0
65.03925	1.3
67.05161	0.9
67.05504	17.6
69.03400	1.5
69.07063	8.8
69.64659	2.3
70.06570	0.7
71.04988	1.4
79.05038	1.1
79.05492	18.8
81.03395	1.1
81.07059	19.9
83.04968	1.7
83.08612	5.1
84.08138	1.2
85.06538	1.5
87.46075	0.6
87.68865	0.6
91.05479	36.5
93.07047	21.6
95.04969	4.2
95.08603	12.2
96.08102	2.8
97.06519	2.2
97.08909	0.6
97.10152	2.4
98.97581	1.8
99.08067	1.0
103.05463	1.3
104.06237	0.7
105.04547	0.8
105.07026	45.0
106.07352	1.2
107.04955	3.5
107.08595	13.4
107.92588	0.5
109.06510	4.9
109.10162	5.3
111.08078	1.8
115.05445	1.1
116.98638	1.3
117.07016	8.2
119.06075	0.6
119.08580	28.6
121.06504	11.3
121.07324	0.9
121.10140	8.0
122.09650	1.1
123.08064	2.1
123.11728	1.1
125.05991	0.7
125.09666	1.2
129.06982	2.3
131.08563	11.5
131.09460	1.0
132.09341	0.7
133.06502	1.0
133.10126	31.5
135.08064	4.4
135.11703	3.1
137.05954	1.4
137.09637	2.5
141.07019	0.8
143.08537	1.8
145.10120	11.7
147.08043	1.5
147.11679	16.6
149.09598	5.8
149.13255	1.5
151.11174	3.4
153.10327	0.5
153.97260	0.5
155.08517	0.7
157.10162	2.8
159.11670	7.9
161.09624	1.7
161.13252	5.0
163.11160	4.9
164.14317	0.5
165.09091	0.7
165.12743	1.2
169.10097	1.9
171.11717	2.3
173.13249	4.1
175.11197	1.9
175.14799	0.9
177.12746	1.6
179.14310	0.7
181.12016	0.5
183.11685	2.3
185.13275	1.0
187.11227	1.5
187.14864	1.0
189.12737	1.1
191.12500	0.5
191.14293	1.1
197.13228	1.9
199.14871	0.7
201.12782	0.8
205.12231	0.6
207.13971	0.5
211.14752	1.0
215.14308	1.1
215.17918	1.2
219.13899	0.8
229.19504	3.8
233.15445	0.8
233.19009	0.8
239.17902	6.2
247.20587	3.5
257.19019	10.1
274.97443	0.8
275.12912	3.6
275.20068	100.0
276.06720	1.3
276.16281	1.1
276.19690	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.17570	0.5
53.03938	0.9
53.32664	0.4
55.01871	3.0
55.05259	0.7
55.05509	10.6
55.29296	0.4
57.03181	0.4
57.03432	3.2
57.07062	1.5
57.65558	0.4
61.04669	0.5
65.03938	0.9
67.05503	18.6
67.50313	0.4
69.03420	0.9
69.07063	8.8
71.04981	1.5
77.03917	0.9
79.05491	18.4
79.39468	0.6
81.03404	0.6
81.07055	21.0
82.07368	0.4
83.04974	2.4
83.08618	4.0
84.08152	0.5
85.06523	1.3
91.05478	28.8
93.07043	18.6
95.04962	4.2
95.08022	0.9
95.08606	13.1
96.08152	0.6
97.06541	3.4
97.10159	1.3
98.97565	0.6
99.08080	0.8
102.72762	0.5
103.05482	1.4
105.07029	39.5
106.07360	0.6
107.04961	7.4
107.08588	15.3
109.06506	4.6
109.10159	6.0
111.08068	1.9
115.05473	1.1
116.98613	0.6
117.06191	0.8
117.07008	9.8
117.07811	0.8
119.08578	30.1
121.06488	4.4
121.10143	9.3
123.08060	3.9
123.11690	1.6
125.09624	0.9
129.06978	2.7
131.08560	13.0
133.06491	1.1
133.10124	27.2
134.10417	0.5
135.08046	7.1
135.11684	3.2
137.09590	2.5
141.06985	1.1
142.07806	0.7
143.08549	2.4
145.10123	9.6
147.08034	1.0
147.11688	16.2
149.09621	8.4
149.13266	1.8
151.11182	1.8
155.08530	1.1
157.10152	2.9
159.08067	0.5
159.11681	8.9
161.09682	1.0
161.13251	5.2
163.11172	4.8
165.09155	0.7
165.12785	1.0
166.43275	0.5
169.10144	1.7
171.11647	2.4
173.13290	4.6
175.11185	1.9
175.14862	1.1
177.12759	1.6
183.11726	2.5
185.13257	2.9
187.11282	0.7
187.14787	1.3
189.12762	1.2
191.14336	1.0
193.12268	0.7
197.13275	1.9
199.14767	0.7
201.12686	1.1
201.16393	1.1
203.14319	2.1
205.12083	0.5
211.14899	0.9
213.16400	0.8
215.14279	0.9
215.17949	0.7
219.13820	0.8
219.17378	2.2
229.15848	0.5
229.19463	2.8
239.17949	4.4
247.20587	4.1
257.18997	10.6
275.20050	100.0
275.27753	3.2
276.15979	0.5
276.16992	0.6
276.20117	5.0
294.34518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.92871	0.6
53.03948	3.3
55.01876	4.1
55.05515	16.3
57.03432	1.0
57.07081	3.3
57.20195	0.7
65.03925	1.5
67.05507	27.2
67.71561	0.8
69.03429	1.4
69.07064	9.3
69.37282	2.8
70.06610	0.7
71.05006	3.9
71.88317	0.7
77.03925	0.8
79.05499	21.6
81.03416	9.1
81.07061	27.0
83.04995	3.7
83.08619	7.4
85.06554	1.9
88.07632	1.2
91.05479	29.4
93.07044	24.3
95.04973	7.9
95.08608	22.5
95.09219	1.2
96.08165	0.9
97.06535	3.5
97.10200	2.8
99.08074	0.9
103.05441	0.8
105.04489	1.2
105.07034	30.6
107.04959	15.1
107.08596	14.3
109.06535	5.7
109.10162	8.4
111.08103	1.6
117.07030	8.7
119.08581	20.5
121.06510	13.3
121.10139	8.7
123.04443	3.2
123.08075	11.6
123.11788	1.0
125.09654	1.4
128.06187	0.9
129.07010	2.2
131.08572	12.5
133.06493	3.3
133.10124	21.4
135.08051	6.0
135.11674	6.1
136.05254	1.0
137.06006	3.2
137.09592	4.8
141.07047	1.4
143.08582	2.5
143.58447	0.8
145.06520	0.9
145.10120	11.8
146.10484	0.9
147.08086	3.6
147.11691	11.5
149.09637	8.3
149.13301	2.2
151.07542	8.0
151.11218	3.5
157.10175	2.7
159.08034	1.3
159.11699	8.5
161.09641	2.1
161.13219	5.0
163.11198	6.5
163.14876	1.9
165.09125	6.2
165.12881	0.8
169.10146	1.2
171.11720	1.4
173.09677	1.7
173.13293	4.6
175.11258	2.2
175.14821	1.1
177.12717	4.0
179.10730	1.7
183.11766	1.9
187.11208	1.6
187.13155	1.8
187.14774	1.1
189.12788	2.1
191.14369	2.3
193.12291	1.5
197.13271	1.4
201.12746	2.2
205.12192	1.5
205.15735	0.8
215.14348	1.3
215.17944	1.2
219.17433	0.9
229.19617	4.4
233.19119	1.1
239.17934	3.8
247.20628	4.9
257.19016	9.9
270.79718	0.9
275.12875	3.1
275.20123	100.0
275.27765	9.2
276.16595	1.0
276.19916	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.26833	0.9
53.03934	1.2
55.01873	2.9
55.05515	11.3
57.07079	2.0
65.03930	0.9
67.05162	1.1
67.05508	12.8
69.03437	1.7
69.07075	9.9
71.04989	1.7
71.45780	1.2
79.05493	16.0
81.07059	15.1
83.04973	2.1
83.08611	3.1
85.06528	1.7
88.07636	1.9
91.05486	34.5
91.06061	1.7
93.07050	15.9
95.05002	2.2
95.08614	10.4
97.06526	3.8
97.10142	1.5
98.97592	2.0
103.05440	1.3
105.07034	46.3
106.07375	1.3
106.08636	1.5
107.04958	3.2
107.08601	13.4
109.06521	2.8
109.10178	5.3
116.98612	2.1
117.07010	9.8
119.08579	28.3
121.06480	3.0
121.10171	5.6
123.08063	3.4
123.11706	1.3
125.09618	2.0
129.07050	2.1
131.08569	12.4
132.09317	1.2
133.06584	1.4
133.09175	1.7
133.10138	25.5
134.99673	1.2
135.08020	3.1
135.11699	2.8
137.05965	0.9
141.06978	1.3
143.08534	2.3
145.06490	1.2
145.10133	12.4
147.08043	1.9
147.11682	17.5
149.09642	6.7
149.13124	1.0
151.11205	2.1
155.08560	3.9
157.10110	3.0
159.10551	1.1
159.11734	6.4
161.09602	1.6
161.13261	5.1
163.11195	4.3
165.09055	2.4
169.10117	1.7
171.11649	2.3
173.09715	1.6
173.13268	3.9
175.11130	1.7
179.03372	1.4
183.11684	2.6
185.13316	1.3
187.11185	1.3
189.01840	4.3
197.13252	1.5
205.12144	1.1
215.10739	1.2
215.14468	1.2
229.19414	1.7
231.06540	2.7
233.15329	1.0
239.17960	3.1
247.20592	2.2
257.19034	8.8
274.97604	1.1
275.09171	3.8
275.20074	100.0
275.27823	5.1
276.16104	2.1
276.20270	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	276.1597
Annotation	Huperzine P
Peak:m/z	Relative Intensity
52.44736	0.3
53.03932	0.5
55.01862	0.6
55.05500	0.7
56.05019	0.4
57.03441	1.5
59.39829	0.3
61.02921	1.0
67.05500	0.6
69.03072	0.4
69.03436	7.3
69.59995	1.5
71.04975	1.3
73.02915	0.8
79.05483	1.1
80.05018	0.7
81.03025	0.4
81.03428	4.1
81.07050	2.6
82.06570	0.7
85.02904	15.5
86.09708	0.5
87.04469	5.3
91.03964	0.8
91.05453	1.6
93.07041	2.4
95.04957	0.5
95.08593	1.1
96.08162	0.6
97.02889	7.1
98.06035	1.2
99.04460	3.4
101.02383	0.7
103.03928	0.4
103.05410	0.4
105.07032	3.2
107.04951	0.8
107.08596	1.2
108.08128	0.5
109.02878	1.9
109.06521	0.7
110.06062	0.9
111.04407	0.3
111.08109	0.4
115.03931	14.0
116.07109	1.0
117.07024	1.0
119.08601	0.9
120.08120	0.7
121.06497	5.5
122.09671	0.8
123.08064	1.4
124.07586	0.7
127.03919	8.1
128.06200	0.5
128.07053	0.8
129.06989	0.7
131.08565	1.4
132.08078	0.9
133.04942	0.8
133.06503	4.6
133.07471	0.3
133.10132	4.7
134.09644	0.8
135.08073	0.9
138.09171	0.6
139.07507	0.8
143.08568	1.5
145.04951	4.8
145.10081	0.9
146.09645	0.6
147.08066	0.8
148.07576	0.5
149.05991	1.1
150.09148	3.8
151.07536	1.6
155.08502	0.5
157.06476	0.6
157.10139	0.8
159.08041	2.3
159.11714	0.6
160.07565	0.8
160.11201	2.0
161.08383	0.7
161.09618	5.7
162.09131	0.7
167.07071	1.4
170.09688	0.3
171.08060	1.0
173.09627	1.3
173.11958	0.5
174.09097	0.5
174.12871	0.5
177.38530	0.4
178.08656	1.0
178.12218	0.3
184.11253	0.8
185.09628	0.9
186.10501	0.4
188.10652	1.2
189.11449	0.6
190.12389	0.7
194.26163	0.3
195.06564	2.5
200.10715	3.3
201.12906	0.6
202.12248	2.5
202.16026	0.6
203.75143	0.3
208.13329	4.3
212.14311	0.9
213.07567	0.9
213.12761	0.9
216.10185	0.4
223.06088	0.7
228.13878	1.4
229.12474	0.6
229.14557	0.7
230.11852	0.8
230.15395	6.7
231.15659	0.4
240.13881	0.8
241.07060	3.2
246.15074	0.6
247.13243	0.9
248.16478	1.0
258.14874	4.1
258.17508	0.4
258.18738	0.4
259.08160	1.4
259.13245	0.7
276.15952	100.0
277.09406	0.4
277.16199	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	276.1962
Annotation	MGK 264
Peak:m/z	Relative Intensity
53.03954	0.2
55.01869	1.2
57.03425	0.2
59.58715	0.2
67.05489	0.7
73.02902	0.2
79.05498	0.2
80.05020	0.4
81.03403	0.8
81.07049	0.3
84.08138	0.6
85.02908	3.6
87.04462	1.4
93.07036	0.5
94.06578	0.4
96.08086	0.2
97.02895	0.9
97.06512	0.4
99.04419	0.4
101.02348	0.2
103.03934	0.2
105.03391	1.0
105.07025	0.4
108.08105	0.3
109.02898	0.4
110.09658	0.2
113.50198	0.2
115.03928	3.3
119.08565	0.4
120.08074	0.7
120.54710	0.2
121.08898	0.2
122.09673	2.4
125.05949	0.5
127.03934	1.8
131.08488	0.3
132.08063	0.2
133.10124	0.4
134.09657	2.1
136.11211	1.3
137.11975	0.7
138.12825	0.2
141.51414	0.2
145.04936	0.8
146.09653	0.5
148.11201	2.1
149.11989	0.4
150.09128	0.5
150.12759	0.9
160.11223	0.8
162.12779	6.9
163.13432	0.2
164.14340	1.6
174.12776	0.7
176.14302	0.7
177.15105	1.2
178.15811	0.3
182.11865	0.2
188.14381	1.0
202.12305	0.2
202.15933	0.8
203.16693	2.0
206.15475	0.2
220.13213	0.3
221.14015	0.3
230.18974	0.2
232.13431	0.3
234.14783	0.3
248.20224	0.4
259.08084	0.2
276.19571	100.0
277.19897	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1958
Annotation	MGK 264
Peak:m/z	Relative Intensity
65.53014	0.3
69.03440	0.4
69.60795	0.9
70.06590	2.1
70.91158	0.3
79.05492	1.3
81.07059	11.3
82.06579	1.2
82.22813	0.3
83.07361	1.2
84.08142	16.3
93.07025	0.3
95.08615	0.4
96.08128	33.0
97.08339	0.5
97.08916	7.6
98.09708	0.4
109.06529	3.5
110.09679	8.3
111.04436	0.5
122.09677	1.2
124.11230	1.3
136.11206	1.0
137.05975	13.4
137.11967	1.2
138.12773	7.8
139.13557	4.5
139.58018	0.3
140.14320	0.9
160.99214	0.3
164.14362	7.1
166.15871	0.5
169.88359	0.4
202.15862	0.5
248.16531	0.4
248.19987	0.6
258.18436	0.5
261.68994	0.4
276.19583	100.0
277.19971	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.4
67.05502	0.5
69.03429	1.2
69.48691	0.5
69.49076	0.8
70.06567	1.4
73.32784	0.3
79.05484	1.1
80.14795	0.3
81.03415	0.3
81.07055	9.3
82.06577	0.7
83.07368	0.6
84.08141	12.9
85.02896	2.8
87.04463	0.7
96.08126	23.8
97.02863	0.8
97.08918	7.3
98.09734	0.4
99.04463	0.4
108.08104	0.2
109.02882	0.3
109.06516	3.0
110.09676	6.6
111.10471	0.4
115.03915	2.6
122.09678	1.0
124.11244	0.5
127.03892	1.3
136.11183	0.5
137.05975	12.1
137.11974	1.3
138.12782	6.1
139.13560	4.5
140.14354	1.4
145.04938	0.7
157.90370	0.2
162.12711	0.3
164.14360	5.9
166.15872	0.4
182.38223	0.3
188.14365	0.3
240.33284	0.3
248.16446	0.4
248.20148	0.6
276.19568	100.0
277.19888	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	276.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97131	0.2
67.05515	0.2
69.36240	0.8
70.06584	0.8
72.15298	0.2
73.06564	0.2
73.40541	0.2
81.07044	0.2
82.06580	0.4
83.07354	1.0
84.08143	2.1
96.08126	3.7
97.08912	0.7
98.09700	0.8
98.22658	0.4
108.08094	1.2
110.09711	1.3
111.08085	0.2
111.10480	0.3
122.09653	3.2
123.10439	0.8
124.11244	0.5
134.32106	0.2
136.11209	12.5
137.05991	0.3
137.12050	1.7
138.12791	2.3
139.13570	0.3
150.12730	0.9
151.13574	0.4
159.92834	0.2
164.14334	3.1
178.15884	0.6
179.16702	0.5
248.20058	0.8
276.19568	100.0
277.19916	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	276.1957
Annotation	MGK 264
Peak:m/z	Relative Intensity
53.60199	0.1
55.05524	0.1
61.36539	0.1
65.21092	0.1
67.05495	0.7
68.39536	0.1
70.06579	0.2
79.05482	0.1
80.05004	0.2
81.06627	0.1
81.07038	0.4
82.06579	0.2
83.07348	0.5
84.08140	0.8
93.07021	0.1
94.06553	0.2
95.08599	0.2
96.07520	0.1
96.08125	1.5
97.02915	0.1
97.08916	0.3
98.09694	0.3
105.07001	0.1
106.13673	0.1
107.08572	0.1
108.08107	2.1
109.08221	0.1
109.08891	1.1
109.10128	0.1
110.09687	0.6
111.10455	0.2
119.08576	0.1
120.08086	0.2
122.09655	14.9
123.10519	0.5
124.11231	0.6
134.09627	0.1
135.10371	0.1
136.11208	8.8
137.11986	15.6
138.12801	2.5
139.07539	0.7
139.13545	0.1
148.11180	0.1
150.09172	0.4
150.12772	8.2
151.13284	0.2
152.07101	0.1
160.11293	0.1
162.12790	0.1
164.14351	2.0
167.12662	0.1
168.10211	0.2
173.03516	0.1
174.12694	0.2
175.13553	0.1
176.14256	0.1
178.15895	2.1
179.16679	0.4
182.11769	0.3
202.15897	0.2
203.40262	0.1
204.13800	0.1
234.14857	0.2
247.15504	0.1
248.16324	0.2
248.20143	0.6
258.18481	0.1
276.19556	100.0
277.19894	3.5
290.89658	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	276.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.16468	0.1
55.01870	0.9
57.03433	0.3
59.66356	0.2
67.05494	0.4
69.34447	0.4
69.34850	0.4
79.05508	0.4
80.05000	0.3
81.03415	0.7
85.02904	2.1
87.04457	0.9
89.93007	0.1
91.05471	0.3
93.07040	0.4
94.06573	0.4
96.08141	0.2
97.02879	0.9
98.23478	0.3
99.04458	0.3
101.02361	0.2
105.07018	0.4
106.06603	0.2
108.08116	0.7
109.02862	0.5
109.08892	0.2
109.41766	0.2
115.03925	2.3
119.08568	0.2
120.08088	0.3
121.10102	0.2
122.09660	5.4
125.06012	0.3
127.03902	1.3
132.08067	0.2
133.10158	0.2
133.84744	0.1
134.09663	1.3
136.11212	1.8
137.11998	4.2
138.12750	0.6
139.02493	0.2
139.07487	0.2
145.04939	0.6
145.08789	0.1
145.10048	0.2
146.09633	0.2
148.11194	1.3
150.09151	0.2
150.12779	2.6
150.72498	0.2
160.11224	0.6
162.12756	4.8
163.13434	0.2
164.14349	1.4
174.12700	0.4
176.14363	0.6
177.15135	0.8
178.15877	0.8
188.14311	0.6
202.15845	0.8
203.16681	0.2
203.69762	0.2
234.14760	0.2
248.20161	0.5
258.18530	0.2
276.19565	100.0
277.19873	3.6
277.22754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1958
Annotation	MGK 264
Peak:m/z	Relative Intensity
51.03208	0.2
55.01859	0.7
55.05510	0.2
67.05492	0.5
69.03410	0.3
69.07072	0.2
70.06590	0.5
79.05477	0.4
80.05018	0.7
81.05775	1.1
81.07063	0.2
82.06565	0.5
83.07371	0.5
84.08141	4.7
85.22718	0.2
89.92349	0.2
91.05484	0.4
93.07030	0.5
94.06562	0.6
94.98192	0.2
95.08609	0.4
96.08131	0.7
97.08910	0.7
105.07034	0.6
108.08103	1.3
109.08878	0.2
109.10129	0.2
110.09660	0.8
119.08555	0.8
119.57549	0.2
120.08103	0.8
122.09665	4.0
123.10397	0.3
124.11207	0.2
125.05984	0.4
129.06976	0.3
131.08582	0.3
133.10104	0.4
134.09654	2.4
135.10381	0.3
136.11212	3.4
137.12001	2.6
138.12752	1.0
145.08801	0.2
145.10214	0.2
146.09666	0.3
147.08076	0.3
147.11705	0.7
148.11185	1.3
150.09193	0.3
150.12767	2.0
151.13568	0.6
158.59651	0.2
160.11246	0.6
162.12782	4.2
164.14360	1.5
166.88683	0.2
174.12770	0.4
175.11238	0.5
176.14328	0.4
177.15100	0.5
178.15872	0.9
179.16673	0.2
182.11852	0.2
188.14342	0.7
202.15881	0.8
207.13853	0.2
216.17455	0.2
221.14122	0.2
223.64038	0.2
230.19122	0.2
234.14990	0.2
244.17012	0.6
248.16254	0.2
248.20232	0.8
258.18436	0.3
261.17184	0.3
276.19568	100.0
277.19931	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	276.1959
Annotation	MGK 264
Peak:m/z	Relative Intensity
52.53170	0.3
55.16418	0.3
62.12170	0.3
67.05529	0.3
69.29743	0.5
69.30154	1.2
70.06580	1.5
79.05492	0.7
81.07056	7.4
82.06582	1.5
83.07347	0.9
84.08141	14.0
93.07044	0.3
96.08128	28.8
97.08913	7.1
98.09688	0.2
109.06520	2.9
110.09672	6.9
111.08158	0.3
122.09649	0.8
124.11221	1.0
136.11220	0.6
137.05978	9.6
137.11978	1.3
138.12784	5.8
139.13557	4.6
140.14314	0.8
164.14340	5.3
166.15854	0.6
174.16997	0.3
202.15952	0.4
208.13200	0.3
215.17665	0.3
234.36795	0.3
248.20148	0.7
254.34753	0.3
258.18387	0.4
276.19574	100.0
277.19919	4.1
282.78531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86982	0.4
56.96564	8.5
57.02845	0.4
66.90790	0.5
77.61603	0.5
98.97579	100.0
99.97884	0.7
101.00879	1.0
116.98618	53.2
119.01876	2.6
134.99657	18.7
137.02942	0.7
140.00172	1.0
145.03456	0.6
149.02353	0.7
153.00668	1.7
157.03531	1.0
161.02968	1.1
163.03893	2.0
175.04491	1.4
177.00938	0.7
179.00710	2.4
192.94864	0.7
193.80667	0.5
205.02246	2.8
210.95868	0.9
216.98647	0.8
219.02011	1.0
221.01768	1.1
224.56398	0.4
234.95901	1.4
234.99771	0.9
235.06625	1.2
240.98598	6.0
250.99146	0.6
251.49207	0.7
251.99202	0.6
252.96909	1.5
253.04817	0.6
256.96548	0.7
258.99753	73.9
259.99915	4.2
261.02951	1.0
263.02826	0.8
272.94257	0.6
276.19678	0.5
276.97510	3.6
277.00809	82.3
277.04202	3.3
277.07394	11.2
277.98102	0.6
278.01010	4.6
282.01331	1.0
294.98071	2.3
295.01895	0.9
295.05539	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	18.6
73.18548	7.6
84.08167	15.8
88.04224	8.4
101.00905	17.1
119.01918	22.7
120.09494	8.5
131.01852	9.8
143.01917	17.5
143.65234	8.8
161.03003	34.9
219.90504	9.0
225.09714	8.4
245.05028	13.1
277.03235	81.9
277.07028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58709	2.4
66.81264	2.3
70.06594	7.5
70.80038	2.8
84.04510	3.3
84.08137	5.8
85.02898	3.7
94.93025	37.4
96.92827	45.3
97.02895	4.7
98.92616	7.9
104.10741	100.0
115.03959	2.8
145.40981	2.2
161.67474	2.4
199.98090	2.6
247.08914	2.9
258.91940	4.7
276.16705	4.6
276.90903	32.9
277.03287	23.4
277.05978	3.1
277.08994	3.4
285.81268	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	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	2.8
69.03435	13.5
69.22932	15.4
70.06590	11.5
81.03410	3.3
81.07032	2.5
83.93484	2.2
84.08147	8.9
85.02904	25.2
85.72342	2.2
87.04469	9.7
88.88958	2.6
94.93022	71.3
96.92830	68.6
97.02895	31.0
98.06071	4.6
98.92633	16.6
99.04504	2.9
101.00881	3.7
102.05565	3.0
104.10745	100.0
109.02890	5.0
109.10355	2.6
115.03937	22.0
116.07039	4.1
119.01883	3.3
127.03928	14.0
127.37025	2.4
143.25613	2.7
145.04947	10.0
148.07167	2.9
161.02995	4.7
220.96127	4.6
258.16946	3.4
258.91684	9.5
276.16641	3.0
276.90775	18.1
277.03253	22.6
277.07620	8.6
277.10526	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	277.092
Annotation	Ranunculin
Peak:m/z	Relative Intensity
51.24036	0.4
51.41433	0.4
53.03949	2.4
55.01864	2.7
57.03436	8.3
59.04990	0.5
61.02926	3.8
63.26356	0.3
69.03429	39.5
69.35183	1.7
70.03758	0.8
71.01350	1.6
71.05005	3.0
73.02911	6.5
81.03419	19.3
81.37160	0.3
83.01355	0.8
85.02903	88.3
86.03229	0.7
87.04466	36.4
88.04795	0.4
91.03939	1.8
97.02892	25.5
98.97598	0.4
99.04455	9.3
101.02378	4.2
103.03937	4.0
105.02483	0.3
105.82193	0.3
109.02882	13.2
109.27871	0.4
115.03928	100.0
116.04250	1.0
117.05460	0.9
125.39371	0.3
127.03912	43.6
128.04175	0.7
133.04961	5.9
136.26472	0.4
145.04959	22.3
157.04956	1.1
163.05994	0.9
214.89966	0.3
217.07043	0.5
241.06987	0.5
259.08130	5.0
277.09128	1.2
277.12173	0.4
277.16312	0.6
277.19812	0.7
278.17627	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43449	0.7
53.03961	4.5
54.00381	0.8
55.01883	4.4
56.80894	0.8
57.03442	9.7
61.02924	7.5
66.92936	0.8
67.05502	1.1
69.03431	54.3
69.07089	0.9
70.33630	1.7
71.01358	2.7
71.05001	4.1
73.02919	6.8
81.03419	26.6
81.07082	1.0
83.01323	1.0
85.02908	99.8
86.06054	1.3
87.04470	39.9
91.03970	3.2
91.05481	0.9
95.04987	0.9
95.08624	0.9
97.02895	33.3
99.04458	11.3
101.02380	4.6
103.03952	4.6
109.02879	17.2
115.03934	95.1
116.04250	1.1
122.09667	1.4
127.03922	60.9
128.04198	1.1
131.05084	0.8
133.04977	4.8
137.09627	2.4
137.12071	1.1
145.04961	26.9
145.06078	1.7
154.12314	3.3
165.09106	2.1
165.14696	1.0
204.17442	1.8
215.07097	1.1
250.18036	13.0
259.08087	9.0
260.16577	1.5
276.19617	2.3
277.09109	1.1
277.19940	10.9
278.17517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23620	0.9
53.03954	4.6
55.01870	3.8
55.99642	0.8
57.03435	10.5
61.02923	4.2
69.03428	47.4
71.01350	1.8
71.04974	4.6
73.02902	5.4
81.03416	25.6
83.01343	1.0
85.02901	97.7
86.09697	1.1
87.04464	40.8
91.03969	2.3
96.95911	0.9
97.02893	27.8
99.00834	1.0
99.04455	11.5
101.02374	4.3
103.03966	4.3
105.03418	3.1
109.02877	15.4
115.03926	100.0
116.04243	1.1
122.09656	1.0
127.03910	55.1
133.04973	6.7
145.04955	28.3
157.04980	1.8
163.06036	2.2
190.15923	3.4
204.17021	1.8
259.08124	9.6
276.19562	3.8
277.16730	1.6
277.19876	15.9
278.17755	1.9
278.21143	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	277.092
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03952	2.7
55.01868	3.3
57.03438	7.1
59.05033	0.4
61.02926	4.6
64.00049	0.3
64.83498	0.3
69.03432	34.5
69.44864	1.4
70.03761	0.4
71.01352	1.5
71.04988	4.0
73.02923	6.0
75.33562	0.3
81.03421	19.5
83.01339	0.6
85.02907	80.5
86.03246	0.8
87.04470	37.2
91.03980	2.2
97.02898	23.8
99.00830	0.4
99.04456	8.9
101.02383	3.9
103.03945	3.0
109.02883	13.4
115.03932	100.0
116.04260	0.9
117.05502	0.4
127.03918	41.2
128.04262	0.6
133.04956	5.5
145.04959	22.1
157.04964	1.3
163.06046	1.3
165.44122	0.3
259.08115	5.0
276.19650	2.0
277.19955	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	277.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19816	0.6
53.03946	3.9
54.90184	0.7
55.01868	4.4
55.28370	0.6
57.03440	8.5
59.04983	0.7
61.02928	8.8
67.38332	0.6
69.03428	44.1
69.53822	2.6
71.01350	2.2
71.05003	4.6
73.02916	7.5
73.22775	0.7
81.03417	23.6
83.01343	1.3
85.02904	99.5
87.04468	37.9
91.03944	4.4
91.14820	0.7
94.39272	0.7
97.02892	31.9
99.04452	10.1
101.02376	2.9
103.03954	3.7
109.02877	14.7
109.93122	0.7
115.03929	100.0
116.04231	1.0
117.05431	0.7
122.09686	0.9
127.03912	45.3
127.42284	0.7
128.19606	0.7
128.45905	0.8
133.04956	5.5
135.18767	0.6
137.11955	1.3
140.48048	0.6
145.03824	1.5
145.04956	27.6
150.12785	1.1
157.04865	0.7
163.06000	1.2
175.98740	0.6
177.32520	0.7
183.22092	0.7
226.19106	0.7
230.04893	0.6
252.58260	0.8
259.08066	6.4
276.19519	1.4
277.09164	0.9
277.16235	1.9
277.19858	4.0
278.17493	11.2
278.20776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.092
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03936	6.7
55.01842	2.8
55.05529	2.2
56.63095	2.4
57.03427	9.0
61.02911	6.4
67.05505	3.8
69.03422	51.8
69.07062	8.1
70.02390	4.4
70.06592	2.4
71.04980	3.3
73.02909	10.0
79.05486	4.7
81.03427	30.2
81.07047	4.5
85.02903	100.0
85.54377	2.0
86.55342	2.0
87.04465	36.5
88.07619	7.8
89.20125	2.0
91.03937	3.4
93.07010	4.4
95.08612	3.8
97.02897	31.1
97.06521	14.9
99.04449	14.2
101.02392	3.0
103.03966	4.2
107.08512	2.4
109.02870	20.4
110.91760	2.2
115.03925	75.5
121.10160	4.5
127.03908	55.7
133.04936	5.3
145.04948	29.1
149.02339	5.7
158.02568	2.0
161.02400	3.1
163.03897	8.0
163.05890	2.5
173.02359	5.9
178.60402	2.0
186.18542	8.8
191.03319	2.7
215.06990	12.7
230.21150	2.8
259.08093	6.7
274.71973	2.3
277.10333	2.0
277.22015	3.8
278.17468	3.2
278.21194	4.7
278.23511	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.092
Annotation	Ranunculin
Peak:m/z	Relative Intensity
52.39239	0.5
53.03950	4.2
55.01874	3.6
56.96556	1.2
57.03446	9.1
60.28497	0.7
61.02932	7.7
64.42691	0.6
69.03431	40.8
70.29369	1.4
71.01366	1.4
71.04988	5.0
73.02914	6.8
73.41310	0.7
81.03420	20.6
83.01357	0.7
84.08163	0.6
85.02907	100.0
86.03251	0.7
87.04469	36.0
91.03944	4.7
97.02894	47.4
98.03261	0.6
98.97594	1.9
99.04468	9.6
101.02391	3.0
101.75236	0.6
103.03961	2.3
109.02878	13.1
115.03933	81.3
116.04307	0.9
116.98618	1.3
119.50713	0.5
127.03915	46.3
128.04289	1.2
129.59221	0.6
130.55286	0.6
133.04958	5.6
141.25395	0.7
145.04961	29.7
157.04988	0.9
163.06015	1.1
181.61317	0.7
237.99750	0.6
259.08173	5.5
277.08932	1.5
277.11575	2.5
278.17386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02380	0.9
52.49669	0.8
53.03951	15.6
54.22914	0.7
55.01878	7.2
55.05512	25.5
55.18909	0.7
57.03426	2.6
57.07082	6.2
59.05001	1.9
64.16014	0.7
65.03940	2.2
67.05507	67.2
69.03422	2.4
69.07071	41.4
69.07392	0.5
69.12423	0.7
69.47975	3.6
71.05019	4.6
71.08635	9.6
77.03937	0.8
79.04825	0.9
79.05497	48.9
81.03421	70.7
81.07060	56.3
82.03739	0.8
83.04982	16.5
83.08624	10.3
83.74361	0.7
85.06545	3.0
85.10184	3.2
86.28535	0.7
91.05479	31.7
93.07046	58.6
95.04971	47.8
95.08609	25.6
97.06531	5.0
97.10180	5.7
99.08098	8.6
105.04522	2.1
105.06347	1.8
105.07034	30.0
107.04973	2.9
107.08596	30.5
109.06524	9.7
109.10162	18.9
111.08091	4.4
113.09660	2.3
115.05415	0.7
117.07014	3.6
119.06197	1.0
119.07751	1.1
119.08588	17.7
121.06497	3.1
121.10154	13.5
123.08067	2.5
123.11722	5.7
125.09618	8.4
129.07005	4.0
131.07639	1.0
131.08575	7.4
133.06474	1.0
133.10133	18.1
135.08069	5.2
135.11700	11.7
137.09613	2.5
137.13242	2.2
139.11180	1.6
143.08559	3.0
145.10121	2.8
147.08035	2.7
147.11679	14.8
148.11951	0.7
149.09627	2.4
149.13271	9.5
151.11188	43.0
152.11501	1.3
153.09102	3.5
153.12778	0.9
153.34735	0.7
157.10136	4.1
159.11720	2.5
161.09628	2.4
161.13257	13.3
163.11189	2.2
163.14796	5.7
165.09163	1.3
165.12755	14.1
167.14336	0.8
171.10406	1.0
171.11655	4.6
173.13318	2.3
175.11183	2.7
175.14824	5.1
177.12767	3.5
179.10672	1.3
179.14320	7.3
181.12271	0.9
185.13277	2.3
189.12791	4.0
191.14423	0.9
193.12294	2.3
193.15903	1.0
199.14864	1.5
203.14345	1.0
207.13747	6.2
217.19482	3.9
221.15338	2.3
231.17482	1.7
231.21088	10.4
234.03363	0.7
235.17047	1.2
241.19551	5.2
249.22151	5.8
259.20563	9.3
277.21661	100.0
278.17538	0.7
278.21811	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02372	0.6
53.03946	1.6
55.01873	7.6
55.05511	16.5
57.03428	1.6
57.07077	5.4
59.04988	1.0
64.15369	0.4
65.03943	1.7
67.05503	32.6
68.05821	0.6
69.03412	0.8
69.07066	15.1
69.17828	0.4
71.04995	2.9
71.08630	17.7
73.06548	0.5
77.03894	0.8
79.05492	31.1
81.03406	3.2
81.07055	39.7
82.07375	0.7
83.04975	4.5
83.08622	10.3
85.06544	3.7
85.10191	0.6
91.05481	20.5
93.07043	46.5
94.07350	0.7
95.04968	21.2
95.08603	26.3
97.06528	6.0
97.10165	3.2
99.08091	15.6
101.06038	0.5
103.05449	0.8
104.99300	0.5
105.04519	1.9
105.07031	15.8
107.04955	3.6
107.08592	24.0
109.06526	5.6
109.10147	10.0
111.08083	6.3
111.11676	0.6
113.09653	1.2
117.07018	4.1
119.06118	0.7
119.08575	15.5
121.06506	3.1
121.09262	0.8
121.10142	16.7
123.08069	5.0
123.11723	4.2
125.09626	3.8
127.07551	1.2
127.11220	0.9
129.07005	3.3
131.08566	4.6
133.06503	1.2
133.10124	11.7
134.10538	0.5
135.08038	2.0
135.11697	13.6
136.11963	0.4
137.09630	3.2
137.13263	1.5
139.07529	1.0
139.11172	2.0
141.12741	2.6
142.07784	0.5
143.08537	3.1
145.10121	7.4
147.08046	1.7
147.11688	10.0
147.12862	0.6
149.09607	1.0
149.13255	9.2
150.13608	0.5
151.11188	6.8
151.14870	1.0
153.12727	1.6
157.10112	2.7
159.11668	2.8
161.09644	2.5
161.13251	10.5
163.11180	8.3
163.14803	4.4
165.12753	6.0
167.10587	0.9
167.14328	1.6
169.12250	1.0
171.11688	4.8
173.13290	1.6
175.11241	2.6
175.14795	4.6
177.12755	1.7
177.16394	1.1
179.10735	0.6
179.14297	5.5
181.12282	0.6
185.13278	2.6
189.12756	2.3
189.16484	0.7
191.14374	0.7
193.12300	1.2
193.15829	2.1
195.13744	0.7
199.14819	1.7
201.16364	0.6
203.14336	2.0
207.13860	2.2
209.15331	0.6
213.16441	0.7
215.17958	1.0
217.15831	0.6
217.19545	1.6
221.15379	4.1
231.17464	0.8
231.21115	3.4
233.19067	0.5
235.16898	1.7
241.19530	6.0
249.22198	3.8
259.20581	13.2
260.21115	0.9
277.21646	100.0
278.17700	0.5
278.21841	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	2.3
55.01869	2.2
55.05267	1.2
55.05514	22.1
57.03444	1.1
57.07064	3.5
63.72129	0.8
65.03933	1.7
67.05505	46.7
69.03441	2.2
69.07070	21.8
69.54456	1.0
71.04979	3.8
71.05344	0.9
71.08634	32.4
71.20650	1.0
73.06561	1.0
77.03911	2.0
79.05496	67.1
81.03436	6.5
81.07060	61.6
83.04987	7.3
83.08619	13.0
85.06535	3.1
91.04942	2.1
91.05484	30.6
93.07048	100.0
94.07364	1.9
95.04977	12.6
95.08610	43.0
96.08936	0.9
97.06524	6.4
97.10160	4.0
99.08096	25.2
103.05432	1.2
104.99277	1.7
105.04512	2.9
105.07030	22.7
107.04977	6.3
107.08600	55.4
109.06509	4.6
109.10169	9.8
111.08077	1.8
113.09658	2.1
117.07027	4.5
119.06100	1.0
119.08581	15.1
121.06451	1.3
121.10150	49.3
123.08079	2.5
123.11691	2.6
125.09616	1.1
129.06978	2.4
131.08554	5.1
133.10126	11.7
135.11696	61.0
137.09615	4.5
137.13202	1.4
141.09094	2.5
143.08572	2.4
145.10109	4.3
147.11690	6.7
149.13263	17.6
151.11168	10.9
153.12837	1.2
157.10161	1.6
159.11700	4.2
161.13264	13.0
163.11208	5.6
163.14806	4.2
165.12798	1.7
167.10686	2.6
171.11714	2.1
175.11093	1.2
175.14856	2.0
177.12749	3.6
179.14311	49.5
180.14677	1.6
181.12236	1.4
185.13286	2.3
189.12749	3.1
195.13835	3.2
199.14807	1.7
203.14334	1.4
207.13762	1.8
221.15361	5.0
229.46130	1.0
235.16934	3.0
241.19553	1.6
258.78317	1.1
259.20615	3.8
277.21637	97.5
278.17523	7.2
278.21988	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	5.8
55.01874	4.3
55.05510	19.3
57.03444	2.6
57.07072	10.5
58.70080	0.9
65.03944	1.7
66.26241	1.0
67.05505	42.5
67.05869	2.2
69.03436	2.9
69.07070	15.6
71.04990	4.9
71.08632	7.0
77.03927	1.4
79.05492	47.1
81.03419	17.0
81.07058	42.0
81.07552	1.1
83.04971	5.9
83.08633	6.7
84.08176	1.2
85.06533	5.4
91.05480	22.2
93.07044	59.7
93.94351	1.1
94.07381	1.5
95.04969	44.2
95.08604	23.6
95.09212	1.3
96.08130	2.2
97.06541	5.6
97.07833	0.9
97.10179	3.8
99.08097	6.0
104.99260	1.5
105.04526	2.2
105.07027	17.3
107.04967	2.1
107.08597	27.7
108.05730	1.6
109.06538	7.9
109.10149	12.2
111.08084	2.7
113.09654	1.2
117.07036	4.3
119.08578	11.8
121.06535	2.6
121.10142	20.3
123.08099	3.7
123.11730	4.7
125.09658	2.1
129.07021	2.8
131.08585	5.4
133.10127	13.3
135.08060	1.9
135.11688	17.1
136.62285	0.9
137.09618	10.0
138.12814	1.0
139.11217	2.1
139.91591	1.1
141.12732	1.1
143.08615	3.5
145.10143	4.9
147.08110	1.2
147.11676	7.5
149.02362	2.3
149.09706	2.0
149.13249	10.5
151.11189	16.5
157.10164	2.3
159.11723	3.6
161.09650	1.5
161.13254	5.6
163.11223	4.0
163.14825	3.3
165.12721	1.9
171.11719	2.2
173.13333	3.5
175.14856	2.3
177.12846	1.7
177.16339	1.5
179.14395	1.3
185.13316	3.6
189.12785	1.7
193.08778	1.4
193.15938	3.1
195.13895	1.2
203.14406	1.4
207.13826	1.8
217.12119	1.3
217.19537	1.2
221.15338	10.7
221.60945	0.9
231.21202	1.2
235.13286	1.9
235.16963	2.2
241.19574	3.3
249.22269	1.9
259.20462	5.1
265.80801	1.0
277.21713	100.0
278.21469	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	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.01567	0.6
51.02403	0.9
53.03022	0.8
53.03950	2.2
55.01876	11.9
55.05254	1.6
55.05512	20.1
57.03442	1.7
57.07077	3.7
59.05006	1.6
64.95612	0.8
65.03943	2.1
67.05508	39.5
69.03444	1.0
69.07073	17.2
71.05001	2.9
71.08635	16.5
71.45391	0.8
73.80745	0.8
77.03959	1.8
77.23394	0.7
79.05499	43.9
81.03431	4.1
81.07062	42.4
83.04987	4.2
83.08622	9.6
85.02932	0.8
85.06542	3.2
85.10177	1.3
91.05484	25.5
93.07051	62.0
95.04974	11.4
95.08613	23.2
96.08145	1.5
96.71843	0.8
97.06544	5.7
97.10184	4.0
99.08092	14.1
105.04550	1.8
105.07034	20.0
107.04964	4.2
107.08599	32.6
108.05717	0.8
109.06528	5.6
109.10168	13.7
110.09695	0.8
111.08084	6.9
111.11729	0.7
113.09682	0.9
117.07043	5.0
119.08585	14.8
121.06537	2.6
121.10148	17.0
123.08073	3.3
123.11723	4.8
125.09639	1.7
129.07047	3.1
131.08591	4.6
133.10139	13.2
135.08087	2.0
135.11697	18.3
137.06046	1.0
137.09665	2.5
137.13307	2.4
138.12820	1.1
139.07550	1.1
139.11200	2.0
141.01709	0.8
141.12779	2.9
143.08617	4.0
145.10138	7.3
147.08093	1.5
147.11700	12.2
149.02370	1.8
149.09686	2.7
149.13254	14.7
151.11166	10.5
153.12755	1.3
157.10175	2.7
159.11737	2.2
159.84064	0.8
161.09691	1.9
161.13261	10.1
163.11192	13.7
163.14790	4.8
165.12778	6.6
169.12262	1.5
171.11697	4.5
173.11903	1.3
173.13332	2.5
175.11258	2.0
175.14857	4.3
177.12805	1.0
179.14331	4.9
181.12308	1.5
185.13234	3.6
189.12807	1.6
193.12273	1.1
193.15892	2.4
195.13882	1.7
199.14851	2.0
203.14381	1.6
207.13879	2.8
213.16418	1.3
217.15947	1.0
217.19673	2.0
221.15425	4.5
231.21011	3.6
235.17094	2.0
241.19514	6.4
249.22215	2.6
259.20596	13.1
260.20883	0.8
272.92206	1.0
277.21729	100.0
278.17908	1.3
278.21500	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	278.1752
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
55.01873	0.5
55.05507	1.0
56.05034	0.8
57.03430	0.4
57.07071	1.0
67.05509	1.1
68.05032	0.6
69.03431	4.1
69.07076	0.3
69.34496	0.3
69.46347	1.1
70.03786	0.3
70.06572	0.3
71.04970	0.7
71.08636	1.6
73.02910	0.4
79.05491	1.5
80.05017	0.7
81.03428	0.8
81.07057	2.5
82.03714	0.6
82.06586	0.4
84.08158	0.6
85.02918	2.9
86.03244	1.3
86.09708	0.4
87.04476	1.0
88.04810	0.6
89.43256	0.3
91.05483	1.0
93.05760	0.4
93.07026	1.1
94.06580	1.8
95.04954	1.2
95.08623	0.7
96.08128	0.4
97.02907	0.6
98.03226	0.7
98.63638	0.3
105.07023	1.3
106.06575	0.5
106.31216	0.3
107.04911	0.4
107.08598	0.4
108.08125	1.7
109.02951	0.4
109.06534	2.7
110.04037	0.3
111.08021	0.4
115.03925	1.8
116.04257	1.4
117.07016	0.6
118.06536	0.8
119.08578	0.4
120.08118	0.8
120.67263	0.3
121.02907	0.3
121.06506	0.4
122.06036	0.4
122.09668	3.3
124.11216	0.7
127.03930	0.8
128.04259	1.3
129.06941	0.4
131.08603	0.6
132.08072	1.0
133.06580	0.4
134.06010	0.5
134.09683	1.2
135.08043	0.4
136.07587	4.4
136.11191	0.8
137.05998	2.2
137.11992	0.9
138.09172	0.4
138.12825	0.3
144.08069	0.5
145.05019	0.8
145.10260	0.4
146.05243	0.5
146.09663	1.0
147.10435	0.4
148.07516	0.4
148.11234	0.9
149.02336	5.9
149.04677	0.3
150.09138	1.6
158.09641	0.4
160.11208	0.6
161.12006	0.6
162.12750	0.6
164.07071	13.3
164.14371	0.7
166.08589	0.4
172.11267	0.4
174.12769	1.2
176.10744	0.4
176.14296	0.5
178.08530	0.4
180.10307	0.5
182.11827	0.5
188.52048	0.3
190.12291	0.7
190.15962	0.5
192.13820	0.7
202.08598	1.2
204.10219	1.0
204.17410	0.9
208.13315	0.6
214.15901	0.4
218.11809	0.7
222.11235	4.4
232.16905	3.1
236.12828	1.4
245.90433	0.3
250.18022	7.1
251.18384	0.3
258.14883	0.6
260.16461	41.4
261.16928	1.2
278.17529	100.0
278.21033	12.4
279.17874	3.6
279.21017	0.5
296.30191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1753
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
53.03941	0.5
55.01884	0.8
55.05510	0.6
56.05035	3.2
56.86795	0.3
57.07064	1.2
65.03898	0.4
67.05499	2.4
68.05023	1.0
69.03441	2.0
69.07069	0.3
69.61501	0.6
69.61894	0.6
70.03762	0.6
70.06583	0.6
71.04979	0.5
73.02917	0.3
76.80804	0.3
79.05504	4.4
79.78989	0.3
80.05003	0.3
81.03413	0.7
81.07059	6.8
82.03715	0.3
82.06573	0.5
84.08144	0.3
85.02907	2.9
86.03239	1.6
87.04462	1.2
88.04794	0.7
91.05479	2.6
93.07056	1.3
94.06597	0.4
95.04971	1.6
95.07397	0.3
95.08605	0.4
96.08154	0.3
97.02891	1.0
98.03226	0.9
98.09674	0.8
98.23432	0.6
100.11246	0.5
105.07023	1.1
106.12921	0.3
107.04991	0.5
107.08608	1.2
108.08123	0.7
108.88445	0.3
109.02895	0.4
109.06525	5.2
110.09653	0.5
111.08049	0.3
112.11269	0.8
114.09179	0.5
114.12785	0.6
114.98290	0.3
115.03943	2.5
116.04272	2.2
116.10722	1.1
117.07024	1.8
117.53312	0.3
119.08572	0.9
120.08095	0.8
121.06506	0.8
122.09699	0.4
123.04411	1.3
124.11226	0.7
126.12788	0.7
127.03918	1.0
128.04269	1.5
128.10713	1.2
134.09651	0.8
135.08043	1.4
136.11180	0.6
136.71782	0.3
137.05977	13.3
140.10718	1.8
142.12288	5.5
144.61963	0.3
145.04979	0.9
146.05252	0.7
146.09619	0.5
147.08054	0.6
148.11235	0.6
149.02344	6.9
150.09039	0.3
154.12274	7.6
157.25418	0.3
158.09639	0.9
162.09094	0.6
162.12776	0.3
163.07547	3.9
172.11227	0.7
176.14490	0.4
176.81581	0.3
180.10205	0.6
182.11703	0.4
186.12782	1.5
187.13467	0.7
204.13817	0.5
214.15849	1.3
216.17429	0.3
232.13182	0.3
232.16885	0.5
242.15356	0.4
250.18007	0.5
260.08618	0.4
260.16428	4.3
275.71170	0.3
278.17511	100.0
279.17792	3.8
293.01236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1752
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
50.87405	0.1
51.68460	0.1
55.05510	0.4
56.05046	0.1
57.07068	0.2
57.52391	0.1
58.01881	0.1
67.05515	0.6
68.05035	0.3
69.03429	3.9
69.07072	1.0
69.09858	0.2
69.10260	0.6
70.06571	0.1
70.36466	0.1
79.05500	0.3
81.07056	0.6
82.06589	0.1
83.04952	0.1
83.08615	0.2
84.08155	0.1
85.02897	0.2
86.06066	1.0
87.04456	0.2
91.05485	0.3
93.07041	0.3
95.04971	0.5
95.08592	0.3
96.08142	0.2
97.02905	0.1
97.06530	0.4
98.06053	1.2
98.09712	0.1
98.22714	0.2
100.03993	0.1
105.07039	0.6
106.06557	0.2
107.08595	0.2
108.08085	0.2
108.88041	0.1
109.06505	0.3
109.10165	0.3
112.03978	0.1
112.07580	0.2
114.05508	0.2
114.83820	0.1
115.03960	0.2
116.04295	0.2
119.08577	0.6
119.24483	0.1
120.08108	0.4
121.06510	0.2
121.08876	0.1
122.09651	0.2
123.04400	0.2
124.03941	0.2
124.11243	0.7
125.09715	0.1
126.12786	0.1
131.08534	0.2
133.10124	0.1
134.09648	0.1
136.11223	0.5
137.09610	2.1
137.11983	0.1
137.13329	0.1
138.12801	0.2
140.07082	0.1
145.10118	0.2
146.09570	0.1
147.08049	0.7
147.10553	0.1
147.11665	0.5
148.11162	0.5
149.02348	0.3
149.09555	0.1
152.07104	0.1
152.10732	0.3
153.05429	0.2
154.08691	0.1
154.12257	3.3
159.08072	0.1
162.09126	0.1
162.12798	0.5
164.07040	0.2
164.10678	0.1
164.14343	0.2
165.07845	0.2
165.09111	1.5
165.12894	0.1
165.44707	0.1
168.10170	0.2
170.11746	0.2
175.11201	0.3
176.10591	0.1
176.14336	0.3
178.08612	0.9
178.15918	0.2
180.10197	0.1
182.11737	0.5
190.12279	0.1
192.10265	0.2
193.10933	0.8
193.12192	0.1
194.11766	0.3
203.14232	0.2
204.13861	0.2
204.17508	1.3
205.14450	0.1
206.19025	0.3
208.13324	0.6
222.18576	0.2
231.13850	0.1
232.16969	1.4
233.15242	0.2
248.16426	0.6
250.18030	10.8
251.18361	0.3
260.16382	0.4
261.26315	0.1
278.17502	100.0
279.14752	0.2
279.17859	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	278.1752
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
55.01869	0.5
55.05500	0.5
56.05027	0.3
57.03440	0.3
57.07078	1.6
65.37949	0.2
67.05490	0.8
68.04999	0.2
69.03427	1.0
69.07055	0.7
69.79124	0.2
69.79466	0.6
70.06592	2.6
71.04987	0.7
78.92717	0.2
79.05490	0.7
80.05009	1.2
81.03428	0.3
81.07043	0.4
82.06587	0.5
83.05004	0.2
84.08137	1.6
85.02888	0.5
86.09707	0.4
91.05499	1.0
93.07042	2.0
94.06549	1.0
95.04964	0.6
95.08605	0.7
96.04403	0.2
96.08138	1.4
97.02900	0.3
97.06512	0.4
98.06052	0.3
98.23355	0.3
98.97527	0.2
99.04432	0.3
105.07022	1.2
106.06540	0.4
107.07352	0.3
107.08591	0.6
108.08108	0.6
109.06519	0.4
109.10120	0.3
110.06032	0.3
110.09685	0.7
111.08080	1.0
112.07554	0.2
114.09235	0.2
117.06995	0.6
119.08611	0.5
120.08114	1.6
121.02861	0.7
121.06496	0.3
121.10209	0.2
122.09676	1.1
124.07598	0.5
125.05988	0.6
126.09119	0.5
127.03907	0.3
128.07062	0.5
129.06935	0.2
130.06522	0.3
131.08572	0.8
132.08092	0.8
133.10109	0.3
134.09630	1.8
135.08102	0.5
136.11217	0.5
137.09615	0.2
138.09132	1.0
142.08624	0.3
145.10107	0.7
146.09630	1.1
147.10431	0.5
148.11234	1.5
149.02339	13.0
149.09650	0.3
149.12071	0.3
150.09135	0.8
151.11130	0.4
158.09621	0.3
160.11237	0.7
161.12016	0.5
162.03014	0.3
162.09132	0.8
162.12743	1.6
165.60022	0.4
166.08673	0.3
167.03267	0.4
168.10176	0.6
172.11208	0.8
174.11314	0.4
174.12743	0.4
176.10721	0.8
178.12260	1.1
182.11711	0.6
184.11195	0.3
186.12791	0.7
187.11275	0.3
190.12260	1.3
190.15936	0.3
202.12308	1.2
204.13829	21.2
205.08601	0.2
205.14233	0.5
206.11716	0.3
208.13419	0.3
216.13857	0.2
218.15465	0.6
220.13324	0.6
228.12103	0.2
232.16963	0.6
234.14845	0.8
236.16434	1.1
242.15341	0.5
250.14345	0.7
260.16428	2.0
276.15942	0.8
278.17496	100.0
279.17838	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	278.1753
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
53.03945	0.3
53.18764	0.2
55.01876	0.3
55.05507	0.8
56.05033	0.3
56.96567	0.7
57.07080	2.0
67.05501	0.8
69.03425	2.2
69.37892	1.0
70.03777	0.3
71.04998	5.3
76.70136	0.2
79.05495	1.0
80.05025	1.2
81.03415	1.4
81.07053	1.2
82.06577	0.6
84.04529	0.5
84.08145	0.7
85.02927	1.7
86.03247	0.5
87.04465	0.6
91.05480	1.8
93.07053	2.3
94.06563	0.6
95.08606	1.1
96.08117	0.4
97.02907	0.6
98.06040	1.3
98.22707	0.5
98.97587	4.6
99.03808	0.6
99.04456	10.3
99.08125	0.3
105.07018	2.4
106.06553	0.3
107.08578	0.7
108.04517	0.3
108.08121	0.5
109.02879	0.4
109.10128	0.5
110.09701	0.3
110.97588	0.8
111.08099	0.6
112.07581	0.5
115.03931	0.9
116.04277	0.9
116.98638	1.7
117.07021	1.3
118.06563	0.5
119.07339	0.5
119.07801	0.3
119.08582	2.8
120.08108	1.0
121.02859	0.7
122.09682	1.0
127.03912	0.6
128.04280	0.5
128.06215	0.6
128.07063	0.6
128.98613	0.8
129.06989	1.4
131.05096	0.2
131.08574	1.3
132.08116	1.3
133.08957	0.5
133.10129	4.1
133.11037	0.4
134.09654	0.8
134.99690	0.6
140.07077	1.3
142.07693	0.3
142.08717	0.3
143.08569	2.9
144.06601	0.4
144.07988	0.5
144.09041	0.3
145.04980	0.3
145.09093	0.3
145.10089	1.4
146.05299	0.4
146.09659	1.6
146.99600	0.3
147.08047	0.3
148.07574	0.5
148.11221	0.4
149.02347	17.0
150.09126	1.3
154.08650	0.4
154.12386	0.4
155.08531	0.6
156.06593	0.4
157.10112	2.7
158.09677	0.9
158.99696	2.0
159.11693	0.5
160.11237	1.1
161.09703	0.6
161.12006	2.9
162.09117	0.6
162.12798	4.9
164.14284	0.3
166.08632	0.6
168.10245	2.1
169.10130	1.3
170.99693	0.4
171.11739	0.6
172.11215	0.9
173.09595	0.5
173.11989	0.5
175.11198	1.2
177.00752	2.1
178.08638	3.0
182.11717	0.8
185.13278	0.4
186.12808	2.2
187.13535	0.5
188.10738	0.4
189.00702	0.7
189.09277	0.4
192.10103	1.6
197.13268	0.7
198.11261	0.4
202.10825	0.3
204.13837	0.5
206.11719	0.4
207.01804	0.3
214.12434	0.3
214.15912	1.4
215.14336	0.7
216.12323	2.0
217.12239	4.2
219.01759	0.4
231.13820	0.5
232.13385	0.5
232.17007	1.2
232.19200	0.3
242.15408	1.8
243.13815	0.5
250.18022	0.5
260.16486	14.1
261.16843	0.4
278.17511	100.0
279.17853	3.9
291.72720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1753
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
50.94778	0.2
53.03946	0.5
55.01864	0.3
55.05506	0.5
56.05036	0.2
57.03438	0.5
57.07080	1.5
57.91970	0.2
64.48837	0.2
64.75024	0.2
67.05501	1.3
68.05028	5.3
69.03429	1.9
69.07066	0.3
70.06591	0.3
71.04977	0.5
71.08625	0.3
77.03936	0.2
79.05494	4.4
80.05014	1.1
81.03418	9.3
81.07056	18.6
82.06578	0.8
82.07351	0.2
83.05011	0.3
84.04511	1.0
85.06546	0.2
86.06048	0.3
87.04455	0.5
91.05481	1.6
93.07039	1.7
94.06562	0.7
95.04949	1.3
95.07354	0.4
95.08612	0.6
96.04478	0.6
98.22662	0.6
98.97578	0.2
99.04449	0.6
104.99247	0.2
105.04537	0.3
105.07027	0.4
106.06575	0.7
107.04935	0.3
107.07397	0.2
107.08588	1.2
108.08126	0.4
109.06517	30.6
109.10210	0.3
110.06857	0.5
111.08080	0.7
117.07009	0.3
118.06557	0.3
119.06059	0.2
119.08618	0.2
120.08092	0.9
121.02898	0.3
121.06525	1.0
121.10152	0.5
122.09666	1.0
124.11230	26.0
124.23576	0.2
125.11565	0.6
130.06520	1.4
131.04893	0.3
131.07307	0.7
131.08545	0.3
132.08092	0.3
133.08870	0.3
134.06015	0.5
134.09653	0.5
135.08060	0.2
135.10400	0.3
136.11209	0.8
137.06010	1.2
137.09639	0.2
138.12732	0.3
139.07561	0.3
142.12267	2.2
143.07257	0.5
144.08148	1.0
145.08904	0.2
146.09607	0.3
148.07578	1.6
148.11258	0.3
149.02344	6.5
149.03566	0.3
149.13298	0.2
150.09203	0.4
150.12823	0.3
152.10683	0.2
155.07063	0.7
157.08919	0.2
158.09677	1.0
162.09129	1.1
162.12776	1.3
163.09937	1.6
164.14368	1.2
172.11290	0.3
176.10683	1.0
176.14307	0.4
180.13800	0.3
186.09183	0.4
186.12761	4.0
186.14284	0.3
187.13544	1.0
188.14317	0.3
190.12234	0.8
203.09424	0.4
204.10222	0.5
204.13882	0.8
204.17487	0.4
205.14609	1.3
208.13350	0.2
214.15875	2.1
222.11176	0.2
232.16977	3.7
242.15358	2.5
250.18037	3.7
260.16461	13.3
261.16833	0.5
278.17502	100.0
279.09378	0.6
279.17825	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	278.1752
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
55.01870	0.4
55.05503	2.0
57.03429	0.4
57.07076	1.2
58.03778	0.2
58.99584	0.7
60.11790	0.2
61.02904	0.3
67.05493	0.4
69.03434	3.0
69.59062	0.7
70.03748	0.9
71.04980	0.8
73.02908	0.4
79.05485	0.8
80.05009	0.5
81.03404	0.7
81.07041	0.9
82.03736	0.4
82.06563	0.4
83.08603	1.4
85.02901	4.2
86.03239	1.8
86.06057	0.7
86.99047	0.3
87.04475	1.6
88.04808	0.7
91.05485	0.5
93.07034	0.5
94.06554	0.9
95.04947	0.4
95.08611	0.3
97.02885	0.8
98.03220	0.9
98.11506	0.3
98.97575	0.3
99.04462	0.6
100.04792	0.4
100.07590	0.3
101.02320	0.2
105.07029	0.5
106.06544	2.2
107.04946	0.5
108.08116	0.9
109.02855	0.3
109.06513	0.3
109.08891	0.5
109.10025	0.2
110.03189	0.4
111.08073	0.8
115.03931	3.0
116.01666	1.7
116.04263	2.3
117.07046	0.3
119.08573	1.2
120.08088	1.1
121.02840	0.3
122.09650	0.7
124.07643	0.3
127.03939	1.3
128.04257	1.5
131.08531	0.3
134.09636	2.4
135.04390	0.8
135.10410	0.3
136.11224	0.4
138.09114	0.2
144.01115	0.8
145.04935	0.6
145.10098	0.3
146.05270	0.8
146.09569	0.3
147.11726	0.5
148.11183	0.4
149.02341	12.9
150.09113	1.2
156.13753	0.4
159.08151	0.4
162.02170	3.7
162.09081	1.4
162.12793	0.7
164.10724	0.4
168.10248	0.4
172.11220	0.4
177.11403	0.2
180.10161	1.6
180.13744	0.3
182.11755	4.6
186.12767	0.4
187.07553	0.4
189.09099	1.5
190.12239	0.8
191.03403	0.3
204.13802	2.8
205.08623	0.3
208.13322	10.7
211.04973	0.2
232.17009	0.7
233.08212	0.3
250.14340	0.7
250.17958	0.7
260.16208	1.4
262.11032	1.4
278.17502	100.0
279.08951	0.3
279.17850	3.6
284.45810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1751
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
55.05518	0.5
57.07069	0.5
59.24360	0.2
67.05500	0.9
68.05033	0.4
69.03426	4.8
69.07069	1.0
69.94521	0.6
70.06586	1.4
79.05497	0.3
81.07040	0.9
82.06599	0.3
83.07362	0.3
84.08143	1.2
85.02900	0.7
85.51323	0.2
86.03208	0.4
86.06049	1.0
87.04475	0.4
91.05474	0.3
92.01595	0.2
93.07044	0.5
95.04977	0.6
95.08628	0.9
96.08144	0.5
97.06551	0.4
97.10136	0.2
98.06055	1.2
98.07830	0.2
105.07041	1.0
107.08578	0.4
108.08141	0.2
108.23688	0.2
109.06528	0.5
109.10179	0.4
110.09688	0.6
111.08071	0.2
112.07590	0.3
112.68964	0.2
115.03940	0.2
116.04264	0.4
119.08573	0.6
120.08121	0.4
121.06479	0.2
121.08825	0.2
121.10129	0.2
122.09680	0.5
123.08152	0.2
124.03969	0.2
124.11247	0.9
124.81535	0.2
126.12774	0.3
133.10129	0.4
134.09628	0.4
136.11252	0.7
137.09612	2.5
137.12001	0.6
138.12770	2.1
139.53221	0.2
147.08066	0.6
147.11650	0.5
148.11221	0.6
149.02354	2.1
149.09692	0.2
152.14476	0.2
154.12263	3.6
154.13503	0.2
159.08063	0.2
162.12758	0.4
164.14384	0.3
165.09128	1.4
166.15848	0.2
170.11729	0.2
175.11229	0.5
176.10698	0.3
176.14346	0.4
178.08614	1.1
178.15895	0.3
182.11798	0.6
193.10899	0.9
194.11813	0.4
204.17491	1.5
206.19035	0.3
208.13353	0.5
231.17564	0.3
232.16966	1.6
248.16493	0.6
250.18018	11.7
251.18488	0.3
260.16415	0.7
278.17526	100.0
278.21069	20.3
279.17874	4.0
279.21396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05513	0.5
56.05019	0.2
56.79585	0.1
57.07075	0.8
62.94444	0.1
67.05504	1.2
68.05016	0.3
69.03426	1.8
69.05821	0.2
69.07066	0.9
70.06590	4.0
79.05485	0.7
80.05012	0.2
81.05803	0.1
81.07053	1.0
82.06581	0.5
83.04982	0.2
83.07359	0.8
83.08647	0.2
84.08140	3.7
84.08665	0.2
85.02890	0.2
85.08413	0.1
86.06068	0.6
86.09711	0.3
87.04456	0.3
91.05479	0.2
93.07053	1.2
94.06561	0.3
95.04980	0.4
95.08611	1.7
96.08124	2.0
97.02892	0.2
97.06525	0.4
97.08920	1.0
98.06023	0.5
98.09657	0.2
98.23452	0.3
99.04468	0.2
101.72072	0.2
105.07036	0.4
107.07368	0.1
107.08591	0.8
108.08110	0.3
109.06519	0.4
109.08868	0.3
109.10143	0.4
110.09682	2.3
111.10515	0.2
113.05981	0.1
115.03979	0.2
119.08588	0.5
120.08116	0.6
121.02912	0.2
121.06466	0.2
121.10169	0.5
122.09665	1.9
123.08070	0.4
123.10467	0.3
124.11248	1.3
126.12771	1.0
131.08560	0.2
133.10217	0.2
134.09657	0.4
135.11694	0.3
136.11215	4.8
137.09627	1.2
137.11992	1.4
138.12773	7.6
140.14294	0.2
141.09084	0.1
145.10097	0.3
147.08080	0.2
147.11656	0.3
148.11220	0.5
149.02341	4.7
149.09573	0.3
149.12025	0.2
150.09160	0.4
150.12785	0.5
152.14339	0.7
154.12259	1.6
161.13193	0.2
162.12816	1.1
163.13545	0.2
164.14372	0.3
165.09113	0.6
166.15939	0.7
176.10727	0.2
176.14343	0.9
178.08673	0.4
178.15958	0.5
180.17461	0.4
181.18280	0.2
182.11804	0.5
184.13388	0.2
190.12347	0.2
190.15884	1.6
193.10989	0.5
194.11745	0.6
204.17465	1.7
206.18962	0.1
222.14949	0.3
232.17018	0.7
232.20682	0.2
236.13063	0.2
236.16484	0.3
248.16467	0.3
250.18015	5.0
250.21667	1.5
251.18344	0.3
260.20325	0.2
278.17545	53.6
278.21124	100.0
279.17862	2.6
279.21457	4.4
279.24020	0.1
283.73010	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	278.2115
Annotation	Venlafaxine
Peak:m/z	Relative Intensity
55.01867	0.7
55.05504	1.1
56.05033	0.6
67.05513	2.5
69.03432	0.7
69.07068	1.5
69.94099	0.8
70.06572	0.8
71.04987	0.5
79.05485	1.6
80.04994	0.7
81.07052	3.8
82.06576	0.6
83.08598	0.3
84.08147	2.3
86.09886	0.2
91.05467	0.8
93.07048	2.5
94.06556	0.7
95.08604	2.6
96.08135	1.5
98.09681	0.3
99.04423	0.3
100.07608	0.4
104.07445	0.3
105.07022	1.1
107.08565	1.9
109.10168	0.8
110.09654	1.5
112.07583	0.4
119.08566	0.9
121.10146	0.9
122.09675	1.9
124.07560	0.3
124.11231	0.5
125.05998	0.5
128.07063	0.7
131.08571	0.6
133.10103	0.4
135.11646	0.3
136.11179	0.7
142.08650	1.3
145.10133	0.5
145.54132	0.3
148.11191	0.9
149.02322	0.4
149.13239	0.4
150.09145	2.0
150.12820	0.4
159.11679	0.3
162.12772	0.6
168.10211	1.3
176.10718	0.3
176.14311	0.5
178.15926	0.7
182.11790	0.4
190.15970	0.3
195.46713	0.2
204.17453	3.2
222.14871	1.8
232.20583	0.4
236.16405	1.5
250.17938	0.4
260.20163	0.4
278.21130	100.0
279.21445	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	278.2115
Annotation	Venlafaxine
Peak:m/z	Relative Intensity
51.81397	0.1
55.04262	0.1
55.05508	0.6
56.05031	0.3
57.03437	0.1
58.06590	0.2
67.05505	0.9
68.05016	0.2
69.03422	0.2
69.05803	0.1
69.07069	0.4
69.45008	0.2
70.06591	5.1
71.04980	0.2
72.08154	0.1
79.05486	0.6
80.05016	0.1
81.07058	0.9
82.06578	0.7
83.07357	0.9
83.08627	0.2
84.08140	3.8
85.06561	0.1
91.05481	0.3
93.07044	1.2
94.06552	0.1
95.04942	0.1
95.07380	0.1
95.08608	2.0
96.08123	3.3
97.02899	0.3
97.06497	0.1
97.08332	0.1
97.08917	1.6
97.10194	0.1
97.32124	0.1
98.09698	0.4
98.22631	0.1
99.04468	0.1
105.04462	0.1
105.07024	0.3
106.06577	0.1
107.07383	0.1
107.08594	0.8
108.08098	0.4
109.06523	0.3
109.08930	0.4
109.10124	0.5
110.09680	2.9
111.08066	0.2
111.10438	0.1
112.11262	0.1
113.06019	0.1
117.07034	0.1
119.08580	0.3
120.08108	0.3
121.10134	0.5
122.09663	2.3
122.10555	0.1
123.08065	0.4
123.10500	0.3
123.11694	0.1
124.11224	1.6
125.09681	0.1
125.12015	0.1
126.12786	1.6
131.08577	0.1
133.10158	0.3
134.09630	0.4
135.08057	0.1
135.10658	0.1
135.11688	0.5
136.11218	2.2
137.11995	2.7
138.12775	13.6
139.07532	0.3
139.13272	0.2
140.14294	0.3
141.09059	0.2
145.10124	0.2
147.11647	0.1
148.11186	0.3
149.09598	0.1
149.12033	0.2
150.12733	0.5
152.14348	1.1
155.82756	0.1
159.11652	0.1
161.09683	0.1
161.13235	0.1
162.12811	0.6
163.11191	0.1
163.13538	0.2
163.14836	0.2
164.14368	0.5
164.15482	0.1
166.15915	0.9
176.14345	1.5
177.15105	0.3
178.15927	0.7
180.17485	0.6
181.18275	0.2
190.15866	0.4
191.16641	0.3
192.17462	0.1
204.17520	0.3
205.18201	0.1
224.05917	0.1
232.20573	0.3
234.22160	0.3
236.16422	0.2
250.17877	0.1
250.21666	1.6
260.20105	0.4
278.21133	100.0
279.21463	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	278.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01860	0.5
55.05501	1.3
56.05021	0.9
56.17611	0.3
66.56629	0.3
66.75412	0.3
67.05503	2.7
68.04987	0.3
69.03428	1.7
69.07050	1.3
70.03748	0.3
70.06582	0.8
71.04977	0.6
79.05479	2.1
80.05020	0.7
81.07063	3.3
82.06571	0.7
84.08141	2.3
85.02887	0.6
86.03214	0.4
87.04472	0.4
91.05468	1.1
93.07043	2.6
93.66755	0.3
94.06559	0.9
95.08606	2.3
96.08125	1.5
97.06507	0.4
98.03336	0.3
100.07615	0.3
105.07011	1.1
107.08588	1.8
108.08089	0.6
109.10110	0.8
110.09665	1.5
115.03903	0.8
116.04225	0.5
117.06999	0.3
119.08559	1.2
120.08051	0.4
121.10126	0.8
122.09659	2.1
124.11195	0.8
125.05977	0.5
127.03933	0.5
128.04251	0.6
128.07115	0.5
129.56519	0.3
131.08533	0.5
133.10115	0.4
134.09639	0.8
136.11206	1.0
137.09619	0.3
137.11996	0.6
138.12785	0.8
142.08624	1.0
145.05099	0.3
145.10144	0.5
148.11186	0.9
149.02327	1.1
150.09161	1.7
150.12807	0.4
154.12271	0.8
162.12721	1.0
168.10161	1.4
176.10547	0.4
176.14305	0.7
178.15950	0.7
182.11777	0.5
194.11597	0.3
204.17503	3.3
222.14914	1.6
232.16756	0.4
234.14648	0.4
236.16393	1.1
250.18086	1.8
250.21700	0.4
278.17584	12.8
278.21106	100.0
279.18307	0.5
279.21463	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	278.2116
Annotation	Stenine
Peak:m/z	Relative Intensity
52.43588	0.1
52.85645	0.1
53.06597	0.1
55.05499	0.7
56.05043	0.3
57.03440	0.3
57.07067	0.2
62.31149	0.1
67.05502	1.6
68.05042	0.4
69.03429	2.3
69.07063	0.9
69.42703	0.3
69.43092	0.3
70.06591	5.4
71.04976	0.2
79.05488	0.6
80.05031	0.3
81.07053	1.2
82.06576	0.6
83.07354	0.8
84.08144	4.1
85.02866	0.2
85.06543	0.2
86.06055	0.3
87.04462	0.2
91.05505	0.4
93.07044	1.2
94.06585	0.3
95.04977	0.4
95.08598	2.5
96.08133	2.9
97.02927	0.4
97.06535	0.2
97.08920	1.5
97.10194	0.1
98.06071	0.5
98.09713	0.5
100.04032	0.1
101.59586	0.1
105.07026	0.7
107.08602	1.0
108.08128	0.6
109.06516	0.6
109.08952	0.2
109.10168	0.5
110.09679	2.9
111.08096	0.2
111.10456	0.2
115.03896	0.1
119.08584	0.7
120.08134	0.6
121.06533	0.2
121.10165	0.6
122.09676	3.2
123.08093	0.6
123.10488	0.3
124.11230	1.7
125.09717	0.2
125.11983	0.2
126.12782	1.7
127.07540	0.2
131.08621	0.3
132.08095	0.2
133.10149	0.4
134.09703	0.4
135.08044	0.2
135.11728	0.4
136.11205	2.3
137.09633	1.2
137.11986	2.4
138.12779	14.1
139.07526	0.2
139.13205	0.3
140.14343	0.3
141.09097	0.3
145.10237	0.2
146.09633	0.2
147.08086	0.3
147.11708	0.4
148.11195	0.7
149.02350	1.3
150.09171	0.3
150.12787	0.8
152.14355	1.3
154.12248	1.5
159.11787	0.3
160.11308	0.2
161.13280	0.2
162.12787	0.9
163.13582	0.2
164.07104	0.2
164.14392	0.4
165.09085	0.8
166.15933	1.1
168.10170	0.2
173.13278	0.2
175.11183	0.3
176.10722	0.2
176.14354	2.0
177.15091	0.3
178.08632	0.4
178.15909	0.8
180.17484	0.6
182.11760	0.3
190.12184	0.2
190.15918	0.4
191.16724	0.4
192.17358	0.2
193.11015	0.5
204.13933	0.1
204.15886	0.2
204.17471	0.7
205.18307	0.1
206.19067	0.2
208.13351	0.3
232.16991	1.0
232.20639	0.3
236.12903	0.2
236.16515	0.2
248.16455	0.3
250.15399	0.2
250.18015	4.9
250.21689	1.1
255.35036	0.1
260.16516	0.5
260.19818	0.3
278.17590	43.5
278.21176	100.0
279.17920	2.0
279.21506	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	278.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
56.05037	3.7
57.06819	0.4
57.07076	4.0
58.06601	6.7
59.05000	0.3
60.04528	1.7
60.20066	0.2
64.60377	0.2
67.00880	0.2
67.05493	0.5
68.05028	0.5
69.03423	1.2
69.07072	1.1
70.06588	0.8
71.08630	2.3
72.04535	0.3
72.08159	1.4
73.58066	0.2
74.05688	0.4
74.06078	4.2
75.04488	0.4
79.05475	0.3
81.03393	0.3
81.07068	0.3
84.08135	0.6
85.02904	0.9
86.03281	0.5
86.06071	4.7
87.04469	0.6
88.07632	26.1
89.06039	0.7
93.07066	0.3
95.04983	0.3
95.08582	0.3
96.08144	0.4
97.06519	0.8
98.03217	0.4
98.06860	0.4
100.07611	1.4
104.07099	2.9
105.07058	0.3
107.08589	0.5
109.10113	0.3
111.08094	0.2
114.82542	0.2
115.03892	0.5
116.04275	0.5
118.06502	0.2
118.08670	1.1
121.10142	0.2
122.09708	0.3
128.04242	0.5
132.10207	7.5
136.11240	0.2
137.09624	0.4
138.12782	0.5
148.09691	0.3
149.02333	4.4
154.15874	0.5
156.17476	0.5
162.02650	0.4
162.11292	2.0
162.12634	0.4
163.03906	0.5
164.04219	0.4
165.09201	0.3
166.10764	3.3
168.17589	0.2
172.16942	0.6
174.02676	0.5
186.18530	35.3
187.18826	1.1
190.18001	0.4
198.18571	0.7
204.17520	0.3
216.07353	1.1
230.21156	12.8
231.21443	0.4
232.16939	0.7
250.18015	1.6
260.10074	0.5
260.22208	1.1
278.17502	14.4
278.23331	100.0
279.09970	0.3
279.17603	0.6
279.20889	0.3
279.23782	3.1
279.97913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0934
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02391	0.2
53.03943	0.2
57.07078	1.2
61.97804	0.2
67.05474	0.2
69.39079	0.6
77.03952	0.6
85.48537	0.2
95.00509	0.6
95.04983	1.2
104.99271	0.2
105.04505	0.5
121.02866	0.4
122.99892	0.2
128.05392	0.2
128.06241	0.7
129.06992	0.5
133.01994	0.2
133.95587	0.2
141.01019	0.8
147.12419	0.2
149.02342	8.0
154.07753	0.7
171.03558	1.3
173.05159	5.9
174.05499	0.2
183.03603	0.8
199.03017	0.3
201.04643	26.0
202.05092	0.7
219.05695	49.9
220.06004	1.5
242.07317	0.5
278.21140	0.5
279.09320	100.0
280.09650	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	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
56.52460	0.3
57.07076	4.6
62.44269	0.3
65.03919	0.4
69.07059	0.4
69.59262	0.9
69.59679	0.9
79.67802	0.4
85.02886	0.7
86.09706	100.0
87.10043	1.1
97.02893	0.4
98.22798	0.7
98.39789	0.3
98.97594	0.5
103.05469	0.5
120.08105	19.6
121.02874	1.6
121.03896	0.4
121.08487	0.4
123.09945	0.3
149.02341	37.7
150.02667	0.6
165.12621	0.4
166.08621	9.5
167.03413	0.6
167.08994	0.3
195.59914	0.4
233.16516	0.9
279.17062	5.0
279.21552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
57.07077	6.3
58.96302	0.2
65.03941	0.6
67.05501	0.3
69.07067	11.6
69.66003	1.0
79.05517	0.3
83.11900	0.3
85.01118	0.7
86.09705	100.0
87.10050	1.0
91.05466	0.3
93.07018	0.3
102.03751	0.9
104.05268	0.3
104.37527	0.3
115.04019	0.3
120.08105	7.9
121.02862	2.6
121.03747	0.5
122.55489	0.3
126.37686	0.2
126.66045	0.3
149.02339	57.7
150.02654	1.2
150.05800	0.4
151.35707	0.3
163.07532	0.5
166.08632	5.7
167.03427	1.0
177.00801	0.3
185.13626	0.5
205.08661	0.7
233.16446	0.7
261.00650	0.5
261.14871	0.7
270.98148	0.3
279.01727	0.8
279.08694	0.5
279.17163	5.0
279.20609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Farnesylacetone epoxide
Peak:m/z	Relative Intensity
51.13313	0.6
53.03952	1.6
55.01871	7.8
55.05513	23.5
57.03441	4.4
57.07079	9.7
59.05007	1.0
65.03947	2.7
67.05506	78.1
69.03428	2.9
69.07070	46.4
69.13728	3.8
70.07379	0.7
71.04995	11.0
71.08628	4.4
73.06563	1.6
77.03917	1.3
79.05493	36.5
81.03413	1.4
81.07057	100.0
82.07395	1.3
83.04973	9.0
83.08169	1.3
83.08619	9.8
85.06546	7.6
91.05481	11.9
93.07043	44.9
95.04974	3.4
95.08608	74.0
96.08949	0.9
97.06528	12.4
97.10156	6.7
99.08096	3.5
104.99277	1.5
105.07030	9.0
107.08596	16.7
107.09164	0.6
109.06546	2.7
109.10160	30.5
111.08064	1.8
111.11723	2.7
113.09651	0.9
117.07030	2.4
119.08575	6.3
121.02867	1.6
121.10143	27.6
123.08080	1.4
123.11707	19.3
125.09619	2.6
131.08568	5.4
133.10129	8.7
133.11046	1.1
135.11697	9.5
137.09535	1.3
137.13274	7.7
139.11169	8.5
141.12730	0.7
145.10165	4.1
147.11699	6.8
149.02345	40.3
149.09605	1.5
149.13261	7.5
151.11183	3.1
151.14795	1.9
153.12799	0.8
159.11725	4.1
161.13205	5.3
163.11218	0.8
163.14825	3.3
165.12756	2.0
165.16267	0.8
167.14337	3.1
169.12256	0.9
173.13268	5.5
175.14801	1.0
177.12863	1.0
177.16429	1.4
179.14307	1.0
181.12273	1.4
183.13826	1.2
187.13278	4.2
187.14903	2.5
189.16435	1.4
191.14380	0.8
193.15842	1.6
195.13834	2.6
205.15842	0.9
209.15318	1.0
219.05653	0.9
221.19023	1.3
223.16939	2.2
233.22557	2.0
237.18578	0.9
239.36052	0.7
243.21147	6.6
251.23785	1.2
261.22141	32.4
262.22437	1.0
279.09464	2.1
279.23206	96.9
280.23474	3.6
280.26376	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	280.1908
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
55.05499	0.6
56.05029	0.4
56.29480	0.2
57.03446	0.2
57.07066	0.9
58.07403	0.3
67.05495	1.2
69.03423	2.4
69.07053	0.6
69.71419	0.5
73.28690	0.2
79.05480	1.2
81.07052	2.5
83.08604	0.4
85.02908	0.3
85.06537	0.5
86.06058	1.1
91.05484	0.8
93.07046	2.7
95.04987	0.3
95.08574	1.2
95.25166	0.2
97.06540	0.5
98.06063	0.5
98.22757	0.4
105.07039	1.7
107.04875	0.2
107.08598	1.6
109.06502	0.5
109.10181	0.3
110.09693	0.3
111.08070	4.3
117.07065	0.4
119.08569	1.1
120.08100	1.0
121.06507	0.6
121.08475	0.3
121.10133	0.9
124.11198	0.6
126.12769	1.1
127.90778	0.3
129.06969	0.4
131.08536	0.6
133.06499	2.0
133.10135	1.0
135.08087	0.4
135.10329	0.2
135.11757	0.3
137.13240	0.7
139.07524	1.1
143.08601	0.6
145.10120	0.6
146.09621	0.3
147.08051	2.4
147.11696	0.7
149.02348	2.3
149.09608	0.4
149.13271	1.2
150.02654	2.3
150.09152	0.5
152.29456	0.2
157.10101	0.4
159.11711	0.4
159.98738	0.3
161.09592	1.9
161.13290	0.4
163.11064	0.4
164.14255	0.3
166.15901	2.3
171.11656	0.3
175.11197	1.3
176.05997	0.2
177.09134	0.3
188.14452	0.4
189.12737	18.1
189.16347	0.5
190.13132	0.5
192.13814	0.3
199.14778	0.5
206.11725	0.3
216.17496	1.0
217.15883	7.3
217.18013	0.4
218.16228	0.3
220.13280	0.7
233.15317	0.8
234.18492	2.8
244.16928	0.5
245.15382	0.5
252.19618	0.3
262.17981	4.0
263.16379	2.7
280.19058	100.0
281.19388	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	280.1908
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
55.01862	0.6
55.05505	1.4
56.05841	0.4
57.07073	1.1
58.07417	0.5
58.87369	0.2
58.99582	0.3
65.03940	0.3
67.05511	2.1
68.05015	0.4
69.03428	4.4
69.07066	0.5
69.51920	0.5
69.52303	0.6
70.06602	0.9
71.04995	1.9
79.05495	1.7
80.05007	1.0
81.07055	2.1
82.06563	0.4
83.04962	0.2
83.08614	0.6
84.08158	0.4
84.08945	0.4
84.58196	0.2
85.06540	0.3
86.06047	0.3
86.09726	0.2
86.99053	0.3
88.08297	0.2
91.05472	1.1
93.07046	1.4
94.01981	0.2
94.06579	1.0
95.04970	0.5
95.08607	2.2
96.08134	0.9
97.06519	0.4
98.06029	0.4
101.05967	0.2
105.07039	0.6
106.06541	0.2
107.08599	0.5
108.08121	0.6
109.06563	0.3
109.08963	0.3
110.09663	0.3
111.08081	7.5
112.07604	0.3
112.08422	0.3
116.01695	1.0
117.02023	0.5
117.07044	0.3
119.08590	0.7
120.08087	1.0
121.02845	0.4
121.10155	0.5
122.03210	0.3
122.09669	2.0
123.08024	0.3
124.07625	0.3
124.11209	0.6
125.05985	0.3
125.09629	0.2
126.09114	0.2
127.07503	0.2
128.07094	0.3
128.11232	0.2
131.08549	0.3
132.08150	0.3
133.10085	0.2
134.09663	1.0
135.08081	0.2
136.11212	0.7
137.05956	0.3
137.09561	0.2
138.09160	0.3
138.12785	0.4
139.07518	0.4
140.07037	0.5
143.08568	0.2
144.01146	0.3
145.01451	0.3
146.09639	0.6
147.11765	0.2
148.11223	0.4
149.02342	5.8
150.02681	6.0
150.09169	1.4
150.10190	0.3
150.12865	0.4
152.10699	0.4
154.12238	0.4
158.09537	0.2
160.11227	0.6
162.02213	1.3
162.09268	0.2
162.12775	0.5
163.02545	1.0
164.01768	0.3
164.10649	0.3
164.14345	0.4
166.07207	0.6
166.08684	0.6
168.10161	1.2
170.11732	0.6
174.12755	0.6
176.14311	0.4
180.13817	0.5
182.11765	2.5
182.15369	0.3
184.13339	0.3
188.14301	1.9
190.09477	0.3
190.12260	0.3
192.13809	0.4
192.17445	0.5
194.11748	0.2
204.13818	0.3
206.15398	3.0
207.15672	0.3
208.13538	0.3
216.17485	0.3
220.13322	0.4
234.14853	0.3
234.18462	1.0
234.92035	0.3
244.17009	0.4
252.19565	1.3
262.10867	0.4
262.18021	12.3
263.11371	0.8
263.18274	0.5
271.26483	0.2
280.19064	100.0
281.14777	0.6
281.19345	3.9
283.88828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1908
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
51.41526	0.2
51.82565	0.2
54.84854	0.2
55.01875	0.5
55.05510	0.7
56.96537	0.3
57.07081	1.7
58.07422	0.6
62.17837	0.2
65.03928	0.2
67.05504	1.8
69.03414	0.7
69.60634	0.7
70.06596	3.3
70.86249	0.2
71.04996	0.7
72.08161	0.9
75.85180	0.2
79.05495	0.6
80.05022	2.1
81.07057	1.5
84.04466	0.6
84.08138	2.4
85.02887	0.3
91.05502	0.6
93.07026	0.9
94.06561	1.1
94.56853	0.3
95.08611	3.4
96.08123	0.5
97.02885	0.5
97.06484	0.3
98.23386	0.5
98.97569	0.8
99.04446	1.3
101.06017	0.9
107.08585	0.4
108.08110	0.3
111.08084	0.5
116.98621	0.6
119.04935	0.4
119.08622	0.3
120.08128	2.2
121.02868	0.5
121.06461	0.3
122.09678	3.1
124.11219	0.9
125.06036	0.7
125.09566	0.4
134.09650	0.6
136.07593	2.9
136.11247	0.7
137.07805	0.3
142.34912	0.3
146.05983	0.3
149.02344	9.0
150.02682	8.8
150.05438	1.2
150.09158	2.8
152.10719	2.0
154.12286	1.1
159.06535	0.4
162.12798	0.3
164.07083	1.3
168.10149	1.4
170.11801	0.5
178.00974	0.3
180.10185	0.4
182.08226	2.7
182.11766	18.0
183.12164	0.3
206.15387	0.4
218.15289	0.2
236.16457	1.6
262.18039	1.7
280.19070	100.0
281.19467	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	280.1908
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
53.72379	0.4
55.01865	0.7
55.05508	0.5
56.05035	0.4
57.07072	3.0
58.07394	1.4
67.05516	2.1
69.03418	1.6
69.07063	0.7
69.22121	0.3
70.02970	0.5
70.06581	0.8
71.04987	3.4
79.05494	0.8
80.05016	7.1
80.29639	0.4
81.07048	0.5
82.34218	0.3
84.08147	1.0
88.03966	0.5
91.05474	0.8
93.07055	1.0
94.06561	4.1
95.08604	5.3
96.08141	1.0
97.06472	0.4
98.09710	0.8
98.97558	0.4
105.07037	1.0
108.08148	0.6
111.08057	2.8
113.09634	0.8
120.08102	3.9
121.02865	0.7
122.03275	0.5
122.09661	12.5
125.05974	1.1
132.08057	0.5
134.09668	0.5
136.11217	1.0
140.10753	0.5
143.92166	0.3
149.02344	15.9
150.02669	16.8
150.09138	14.5
150.12769	0.7
151.09488	0.5
152.10724	0.9
164.14372	0.6
166.08641	1.1
167.03398	0.4
168.03651	0.4
168.10187	14.2
169.10544	0.5
170.11723	0.5
180.13799	0.7
182.08040	0.5
182.11757	1.0
187.31744	0.3
192.13878	2.0
206.15396	13.8
234.18445	0.5
235.10741	0.5
262.17978	1.6
266.72314	0.4
280.19058	100.0
281.19385	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	280.1909
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
55.05518	0.4
57.07081	0.9
61.51327	0.2
66.01668	0.2
67.05508	0.5
68.05038	0.3
69.03428	1.4
69.07059	0.6
69.73871	0.7
70.06591	0.4
71.04980	0.9
71.08584	0.2
79.05485	0.7
80.05001	0.4
81.07039	0.9
82.06580	0.2
83.04975	0.2
84.08144	0.3
86.06058	0.5
87.04472	0.2
87.70782	0.2
89.98914	0.2
91.05479	0.4
93.07048	0.8
94.06572	0.4
95.04962	0.5
95.08585	0.7
96.08124	0.6
97.06541	1.0
98.06068	0.4
98.23477	0.3
99.04463	0.3
99.44407	0.2
105.07021	0.4
107.08566	0.5
108.08138	0.3
109.06528	0.3
109.10118	0.2
111.08080	2.3
120.08078	0.5
121.06506	0.9
121.10144	0.6
122.09684	1.0
123.08051	0.6
124.11233	0.5
126.12789	0.2
127.06343	0.3
131.08557	0.4
133.10098	0.2
134.09685	0.3
135.08214	0.2
136.11197	0.6
138.12782	0.7
139.11189	0.3
140.07053	1.5
140.10689	0.3
141.09106	0.3
145.19363	0.2
147.11728	0.2
148.11183	0.3
149.02350	2.7
149.09610	0.6
149.13174	0.2
150.02686	2.9
150.09123	0.7
154.12256	0.6
159.00732	0.2
159.08072	0.6
160.11267	0.3
161.09560	0.2
162.12782	0.4
164.14413	0.4
166.08615	0.5
166.12228	0.2
166.15886	0.2
167.10718	0.5
168.10251	0.2
170.11743	2.6
175.11252	0.2
176.14294	0.3
177.09189	0.3
177.12758	0.5
180.13878	0.2
182.11780	0.4
184.13321	1.2
190.12309	0.6
192.13802	0.3
194.11879	0.3
200.88417	0.2
204.13907	0.7
206.15344	1.0
207.17445	0.3
208.13333	0.3
216.17511	0.5
217.15892	0.2
220.13310	0.4
222.14908	0.5
233.15353	0.4
234.18442	0.9
235.16898	0.2
236.12819	0.4
236.19914	0.3
244.17000	0.7
245.15358	0.4
252.19661	0.7
262.18042	5.0
280.19073	100.0
281.19391	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	280.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96367	0.1
55.05515	1.0
56.05030	0.4
65.11165	0.1
67.05496	0.6
69.07050	0.3
69.41721	0.2
69.54671	0.7
79.05482	0.3
81.07066	0.7
82.06585	0.3
83.08595	0.4
84.08143	2.7
91.05513	0.1
93.07041	0.5
95.08618	1.4
96.08115	1.9
97.08921	0.2
97.10168	0.4
98.09711	1.0
99.04429	0.2
107.08610	0.5
109.10142	0.5
110.09671	1.3
121.10142	0.3
122.09707	0.7
123.10380	0.2
124.11223	1.0
131.28859	0.1
133.10129	0.3
135.11670	0.2
136.11201	0.5
137.12009	1.1
137.12930	0.2
138.12772	6.4
139.13329	0.2
149.02342	0.3
150.02682	0.4
164.14359	0.2
166.15846	0.8
195.23660	0.2
216.28062	0.2
262.21588	0.4
280.22696	100.0
281.23019	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	280.2271
Annotation	Stemaphylline
Peak:m/z	Relative Intensity
55.05513	0.5
56.05027	0.3
57.07065	0.2
57.58891	0.1
60.55734	0.1
67.05495	0.4
68.05025	0.1
69.07058	0.5
70.49389	0.1
71.05014	0.1
76.39381	0.1
79.05486	0.4
81.07053	0.9
82.06559	0.3
83.07355	0.1
83.08615	0.3
84.08139	2.7
89.30755	0.1
93.07048	0.6
94.06560	0.1
95.08600	1.2
96.08128	1.8
97.08905	0.4
97.10168	0.3
98.09689	0.9
99.04510	0.1
105.07034	0.2
107.08591	0.5
107.31000	0.1
108.08105	0.1
109.10158	0.4
110.09680	1.3
121.10140	0.2
122.09644	0.4
123.10434	0.3
123.11703	0.2
124.11241	1.0
126.12814	0.3
133.10135	0.2
135.11678	0.2
136.11209	0.8
137.09637	0.1
137.12021	0.9
138.12775	6.4
139.13457	0.2
140.14359	0.2
144.10144	0.1
147.11627	0.1
149.02368	0.5
150.02734	0.5
150.12830	0.2
164.14389	0.2
166.15903	0.9
173.81726	0.1
173.86555	0.1
203.84346	0.1
234.22067	0.1
262.21585	0.2
280.22693	100.0
281.23035	3.7
281.26248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2273
Annotation	Stemaphylline
Peak:m/z	Relative Intensity
52.79896	0.2
55.01868	0.6
55.05510	1.7
56.05035	0.7
57.07073	0.5
67.05508	1.4
68.43356	0.2
69.03424	0.5
69.07073	1.7
69.40935	1.0
79.05488	0.6
79.38134	0.2
81.07041	1.7
83.08617	0.6
83.25517	0.2
84.08147	0.8
91.05452	0.3
93.07048	0.8
95.08604	1.9
96.08115	1.6
97.06516	0.3
97.10178	0.5
98.09714	0.2
99.04444	0.2
105.07025	0.4
105.74990	0.2
107.08615	0.6
109.10165	0.8
110.09673	0.4
112.07590	0.4
114.09191	0.3
119.08620	0.4
121.10178	0.4
122.09673	0.5
124.07569	0.2
125.05963	0.5
128.07065	0.7
133.10147	0.3
135.11768	0.4
136.11269	0.4
138.12773	0.9
140.14398	0.3
141.87862	0.2
142.08661	1.7
144.54025	0.2
147.11676	0.3
149.02339	1.2
150.02669	0.8
150.12756	0.4
164.14322	0.4
166.15955	0.3
180.17435	0.4
182.11755	0.3
206.17148	0.4
206.19043	4.5
234.22301	0.2
238.17999	0.3
252.23271	0.6
262.21759	0.4
280.22711	100.0
281.23053	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	280.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.05034	0.3
57.07059	0.4
67.05508	0.8
69.03417	0.3
69.07066	0.6
69.40678	0.3
69.41072	0.4
75.21250	0.2
79.05492	0.2
81.07061	1.3
82.06573	0.3
83.08596	0.3
84.08141	3.1
89.12601	0.1
93.07043	0.6
95.08613	1.5
96.08131	1.9
97.08929	0.3
97.10177	0.4
98.09697	1.0
99.04469	0.2
105.07061	0.3
107.08598	0.6
109.10154	0.5
110.09670	1.1
111.08073	0.2
116.59950	0.1
119.08589	0.3
121.10139	0.4
122.09662	0.9
124.11237	1.2
126.12827	0.2
133.10138	0.2
133.19160	0.2
135.11700	0.2
136.11234	0.5
137.11977	1.1
138.12775	6.9
139.13181	0.1
140.14374	0.2
149.02336	1.5
150.02672	2.0
162.10110	0.2
166.15944	0.8
190.29582	0.2
236.23714	0.2
252.22139	0.2
262.21603	0.3
280.22699	100.0
281.22992	3.9
292.61942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05037	0.2
58.06597	0.2
67.05505	0.8
69.07070	0.4
69.14793	0.8
70.16359	0.1
71.04987	0.2
75.76705	0.1
78.83282	0.1
79.05486	0.4
81.07063	1.2
82.06562	0.2
83.07372	0.2
83.08616	0.4
84.08147	3.1
84.08654	0.2
86.50600	0.1
91.05479	0.2
93.07076	0.7
93.33364	0.1
95.08607	1.3
96.08138	2.0
97.08920	0.4
97.10182	0.1
98.09706	0.9
99.04434	0.1
105.07010	0.2
107.08601	0.5
109.10146	0.4
110.09689	1.7
121.10135	0.3
122.09674	0.6
123.10434	0.2
123.11712	0.2
124.11243	1.1
126.12837	0.3
135.11667	0.2
135.67018	0.1
136.11221	0.6
137.12001	0.9
138.12782	7.4
139.13258	0.2
140.14310	0.3
145.10059	0.2
149.02332	0.2
150.02748	0.3
162.19667	0.1
166.15910	0.8
234.21947	0.2
236.23756	0.2
252.19441	0.2
262.21637	0.3
280.22708	100.0
281.23032	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	71.9
57.03431	1.3
59.75338	1.1
60.76269	0.9
60.95852	1.1
61.92948	0.8
69.03426	1.1
70.25533	1.6
72.08163	2.9
73.08484	1.1
81.04527	1.1
86.09709	2.3
98.97583	100.0
100.97223	1.8
100.97996	1.1
104.89708	0.9
116.98622	54.5
121.06556	1.1
122.07178	3.3
123.07935	1.4
123.20053	0.9
124.99126	2.1
127.00726	4.8
134.99654	15.9
135.37889	0.9
136.99080	6.7
143.00192	3.2
145.01712	1.7
149.02324	1.4
150.02666	1.4
150.07747	17.4
153.00641	1.4
155.00153	23.0
158.99631	2.3
161.01277	4.2
164.98189	0.9
170.99655	1.3
173.01236	39.0
174.97664	2.8
177.00661	1.9
189.00735	3.2
191.02286	19.2
192.98596	1.5
198.99135	1.0
206.07118	1.3
207.01733	2.1
209.03394	8.8
217.00235	17.6
217.02266	1.3
227.00763	2.8
235.01270	54.9
238.98358	6.4
239.00488	1.1
240.01860	3.1
240.98759	3.3
245.01924	3.1
253.02287	6.3
256.99496	7.5
257.57291	1.3
258.02890	3.6
258.99759	48.9
263.02930	3.2
277.00821	63.5
279.06442	1.2
281.10858	1.9
281.15100	1.8
282.11884	1.4
288.06732	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	6.0
55.01866	6.5
55.05258	2.0
55.05513	33.7
56.78204	1.2
57.03177	1.9
57.03439	25.5
57.07065	2.7
59.04990	1.1
65.03925	2.8
67.05504	84.9
68.05834	1.5
69.03439	2.9
69.06707	1.7
69.07068	21.2
70.68500	1.6
71.04988	3.6
71.80166	1.2
73.06554	3.5
77.03942	2.9
78.08963	1.3
79.05495	100.0
80.05831	1.7
81.03424	16.8
81.07058	74.3
83.04984	35.9
83.08621	13.1
84.04502	1.1
85.06538	2.8
91.05482	67.9
92.05838	1.1
93.07048	68.1
95.04972	27.6
95.08607	43.7
96.09021	1.1
97.02876	1.4
97.06550	8.3
97.10149	7.1
98.97585	3.2
99.08103	1.4
101.95110	1.3
105.04515	4.5
105.07030	52.4
107.04951	10.5
107.08594	24.1
109.06532	8.8
109.10152	11.7
111.08112	2.2
111.53300	1.1
113.09653	3.1
115.05396	1.8
116.98579	2.0
117.07019	9.3
119.08580	31.8
121.06506	2.9
121.10150	5.8
123.08056	9.3
123.11756	2.8
125.09650	2.7
125.28705	1.3
127.07523	1.9
128.06216	1.5
129.07014	17.8
131.08562	4.4
133.10139	15.4
135.08075	1.2
135.11707	3.8
137.09607	2.7
137.13216	3.0
138.16200	1.0
139.07570	1.5
141.09203	2.2
143.08562	10.9
145.10127	10.7
147.08040	3.7
147.11687	42.6
148.12019	1.5
154.05444	1.1
159.11694	1.3
161.09647	4.9
161.13248	17.1
171.11703	28.6
179.14299	1.8
181.04771	1.3
189.12735	10.9
207.13852	16.1
245.22583	2.2
252.36775	1.5
254.36717	1.2
258.99802	1.8
263.23703	3.8
277.00824	3.2
281.17477	62.6
281.24716	3.3
282.17776	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02395	1.8
53.03942	6.8
55.01864	4.9
55.05254	2.7
55.05510	34.1
57.03437	30.9
57.07063	1.7
57.56690	1.4
58.16121	1.4
59.94320	1.6
64.57266	1.7
65.03935	3.7
65.42844	1.4
67.05504	84.0
69.03419	3.8
69.07073	18.2
69.67303	1.4
71.04988	5.5
73.06554	3.8
77.03928	3.0
79.05492	100.0
79.21839	1.4
81.03413	16.8
81.07054	66.7
83.04982	38.7
83.08617	10.0
85.06540	3.6
91.05478	69.4
93.07043	83.4
95.04969	33.2
95.08605	42.8
97.06526	6.5
97.10164	5.9
98.22711	4.7
98.97575	7.2
104.99312	2.1
105.04538	3.0
105.07031	49.4
107.04968	8.7
107.08587	30.0
109.06524	7.3
109.10158	6.6
111.08057	3.5
116.98657	4.2
117.07010	11.3
119.08579	29.1
120.08942	2.5
121.06541	2.4
121.10120	7.8
123.08060	8.5
127.07566	1.9
128.06270	3.7
129.07008	22.4
131.08571	4.7
133.06476	2.2
133.10133	14.4
134.99629	1.9
135.11687	4.4
143.08595	9.5
145.10127	11.7
147.08035	2.7
147.11674	48.1
159.11732	2.0
161.09592	5.8
161.13229	15.5
163.11113	1.6
163.57755	1.6
171.11691	33.4
171.13052	2.7
179.14282	2.7
189.12750	11.5
207.13818	19.2
224.99791	1.6
258.99841	6.1
263.12537	2.7
277.00797	6.4
281.17468	70.8
282.17230	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	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98659	0.3
56.96566	9.1
61.79938	0.3
69.71078	0.6
69.71441	0.5
71.95251	0.5
77.20522	0.3
92.53525	0.3
96.07572	0.3
98.97581	100.0
100.30302	0.3
101.00892	0.2
116.98620	46.5
119.01893	0.5
134.99655	12.2
140.00183	0.8
153.00694	1.0
168.38950	0.3
174.39267	0.3
177.00926	0.5
181.97372	0.3
192.98643	0.3
216.98805	1.0
219.01973	1.6
220.02162	1.0
234.99896	1.8
236.98605	1.5
240.98723	4.6
258.99768	52.3
259.99866	2.2
261.02945	1.7
272.97495	0.3
277.00812	63.0
278.00952	2.8
282.01221	0.8
282.96805	0.4
282.99979	8.7
295.01886	0.5
300.02451	0.8
300.97665	0.6
301.01041	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	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96283	0.7
56.96565	11.5
69.03425	0.5
69.54555	1.8
70.06593	0.9
71.95244	0.6
72.08158	0.8
81.98723	0.4
85.02912	0.5
87.50734	0.3
91.05422	0.4
98.97581	100.0
99.97910	0.4
116.98622	52.0
117.98889	0.4
119.01915	0.7
122.07160	0.5
128.63777	0.4
134.99655	14.5
140.00151	0.9
145.04889	0.5
150.07747	33.8
151.08150	0.6
152.05638	0.7
153.00693	1.2
156.05089	0.7
158.01312	0.4
162.05540	0.4
174.97649	0.6
177.00912	0.7
184.09628	0.6
193.03242	0.8
216.98723	0.8
219.04999	0.4
220.02293	0.7
234.99722	0.7
240.98631	3.6
257.97592	0.5
258.99765	52.5
259.99911	2.0
261.00171	0.4
277.00809	68.3
278.01016	1.8
279.01324	0.4
282.01312	0.9
282.04694	0.4
282.11783	3.2
282.17062	1.0
282.20572	0.8
300.02383	1.5
301.01010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01876	2.4
55.05507	1.1
56.96568	2.0
57.03436	6.3
57.07081	1.2
61.02928	10.4
67.05509	1.6
69.03423	16.0
70.93243	1.2
71.04987	2.4
73.02914	4.4
81.03414	7.2
83.01364	0.9
84.62523	0.9
85.02905	100.0
85.06542	23.3
87.04478	3.0
90.75501	0.9
91.03952	7.2
97.02895	21.3
98.97588	21.2
99.04446	5.1
103.07584	1.6
103.11102	1.1
109.02869	6.7
109.06541	1.1
115.03920	1.7
116.98622	7.4
118.02258	1.0
122.02879	1.1
127.03919	24.8
134.99686	1.9
145.04956	54.8
147.08064	1.0
150.07767	9.9
152.06967	0.8
163.06024	22.9
173.01155	1.2
180.08678	0.9
188.28036	1.0
196.60400	1.0
200.95642	1.0
219.01797	1.6
229.10661	6.6
258.99731	7.7
273.01398	0.9
277.00824	10.6
291.88889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2065
Annotation	scalusamide A
Peak:m/z	Relative Intensity
50.80968	0.1
55.05517	0.6
56.05035	0.1
57.03430	0.1
57.07080	0.4
59.05000	0.2
67.05504	0.5
69.03426	1.6
69.07076	0.6
69.82549	0.3
70.06583	0.2
71.04996	0.3
79.05507	0.6
80.05006	0.4
81.03426	0.2
81.07055	1.2
82.06598	0.2
83.04980	0.6
83.07367	0.3
83.08652	0.2
84.08134	0.2
85.02892	0.2
85.06532	0.5
86.06072	0.6
87.04446	0.2
91.05519	0.6
93.07043	0.8
94.06562	0.2
95.04966	0.4
95.08605	1.0
96.08147	1.2
97.06542	0.3
98.06046	0.3
98.09702	0.1
98.97578	1.1
100.07592	0.3
105.07025	0.7
105.11634	0.1
107.04994	0.2
107.08605	0.6
108.08115	0.3
109.06509	0.3
109.10160	0.4
111.08096	0.4
116.98652	0.6
117.07000	0.2
119.04921	0.1
119.08569	0.6
119.30540	0.1
120.08073	0.2
121.02850	0.3
121.06482	0.4
121.10115	0.3
122.09697	0.2
123.08071	0.3
123.11687	0.3
124.11223	0.7
125.09649	1.2
126.09192	0.2
126.12832	0.3
131.08559	0.2
133.06493	0.4
133.10138	0.4
134.09648	0.2
135.08049	0.4
135.11734	0.3
136.11230	0.3
137.09634	0.2
138.09111	0.2
138.12775	2.9
139.07542	0.1
140.07079	0.7
140.10637	0.3
142.12250	0.2
145.10219	0.3
147.08051	0.3
147.11688	0.3
148.07581	0.2
149.09622	0.2
149.13248	0.2
151.11172	1.3
152.10675	0.2
154.12244	0.3
156.13889	0.2
158.76495	0.1
159.08069	0.2
159.11702	0.3
161.09608	0.8
161.13278	0.1
162.12729	0.3
163.11198	0.4
164.14322	0.5
170.11783	1.0
173.09692	0.2
173.13327	0.1
175.07549	0.2
176.14307	0.2
177.12766	0.2
178.12212	0.2
179.10753	0.2
180.13783	0.4
184.09711	0.1
184.13379	0.1
187.11252	0.3
204.13956	0.2
206.15422	0.2
207.12457	0.1
208.13448	0.2
217.15880	0.4
218.19022	0.3
219.17419	0.4
222.14870	0.6
229.16092	0.1
235.16931	0.3
236.20143	0.5
237.18559	0.2
238.14285	0.1
238.21509	0.1
246.18549	1.1
247.13254	0.2
247.14478	0.2
247.16936	2.4
258.99713	0.5
264.19571	3.7
265.14334	0.4
277.00876	0.7
282.20627	100.0
283.20993	4.1
283.24106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2064
Annotation	scalusamide A
Peak:m/z	Relative Intensity
55.01871	0.8
55.04979	0.2
55.05512	1.3
56.05026	0.3
56.96559	2.0
57.03439	1.4
57.07063	0.7
59.04981	0.5
61.02916	0.9
67.04515	0.2
67.05502	1.7
68.05048	0.3
69.03430	2.8
69.07059	0.8
70.06593	0.7
70.93063	0.3
71.04971	0.4
73.02893	0.3
79.05483	0.8
80.04998	1.2
81.03416	0.6
81.07056	1.3
82.06575	0.5
83.04967	0.3
83.08596	0.2
84.08133	0.9
85.02904	7.7
85.06547	2.9
87.04465	1.8
91.03945	0.4
91.05466	0.6
93.07037	1.1
94.06566	1.1
95.04965	0.4
95.08615	1.3
96.08128	1.2
97.02894	1.8
97.06514	0.5
98.09683	1.0
98.97582	11.6
99.04446	0.8
100.07633	0.3
101.06033	0.4
103.07580	8.1
105.07037	0.6
106.06556	0.4
107.08614	0.5
108.08117	0.8
109.02842	0.7
109.10142	0.3
110.09680	1.2
112.07609	0.3
116.98627	7.6
119.03569	0.4
119.08573	0.4
120.08064	0.4
121.10175	0.3
122.09676	2.0
123.07934	0.6
124.08286	0.3
125.06000	0.5
127.03923	1.8
133.55455	0.2
134.09634	0.6
134.99663	3.1
136.06184	22.0
136.11214	3.4
137.04683	0.3
138.09138	0.6
142.08621	0.5
145.04964	3.7
146.06097	0.3
148.11261	0.6
150.05527	0.7
150.07750	1.2
150.09117	2.2
150.12738	0.6
151.05824	1.1
152.07018	0.5
152.14334	0.5
162.12750	0.9
163.06000	0.8
164.07066	0.8
164.14336	1.9
167.11719	0.3
168.10188	1.6
171.03154	0.2
176.10703	0.2
176.14296	0.4
178.08646	0.8
182.11774	0.9
182.15385	0.6
184.09673	0.3
190.15886	2.6
194.11867	0.4
195.11276	1.1
196.09679	1.1
197.58315	0.2
204.13882	0.2
208.09689	0.5
208.16971	11.9
209.17224	0.4
210.14763	0.6
215.02246	0.3
218.19084	0.3
222.14832	0.3
224.12857	0.4
229.10597	0.3
236.16534	0.3
238.14447	0.3
238.17986	0.8
240.98854	0.4
258.99759	7.0
259.99991	0.4
264.12302	0.6
264.19595	13.9
265.19888	0.4
277.00815	7.7
278.00943	0.8
282.13510	3.6
282.17160	3.6
282.20624	100.0
283.20938	3.7
300.06531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
55.60736	0.3
56.96555	1.3
57.03422	0.6
67.05492	1.2
68.05021	0.5
68.75976	0.4
69.03437	1.5
70.06594	2.0
71.04988	1.3
71.08631	0.8
79.05495	0.5
81.03418	0.6
81.07044	1.4
82.06577	0.3
84.08141	0.8
85.02913	1.4
85.06548	1.1
89.06013	0.5
91.05495	0.6
93.07018	0.6
94.06579	0.7
95.04973	0.9
95.08601	2.3
96.08125	1.4
97.02888	1.0
97.06564	0.3
98.06033	0.7
98.96986	0.5
98.97585	6.1
99.04482	0.5
100.07627	5.5
103.07585	0.5
105.07011	0.5
107.08597	0.5
108.08133	0.6
109.02872	0.7
109.06368	0.3
111.08057	0.7
115.92621	0.3
116.98626	5.4
117.20103	0.4
120.05575	0.9
120.08133	0.4
121.02866	1.7
122.09679	0.8
123.08020	0.7
124.11251	1.7
127.03987	0.4
134.09651	1.0
134.99660	1.5
136.11223	1.2
138.12773	8.9
140.10703	3.0
142.12251	0.9
145.04967	0.6
146.09660	0.6
147.10361	0.3
148.07562	0.6
148.11183	0.6
150.09146	1.7
152.05737	0.5
152.07045	0.3
152.10701	1.4
156.13841	4.7
162.12804	1.4
166.12245	0.8
168.10196	1.5
172.11217	0.5
176.14351	0.8
178.07239	0.5
184.09731	0.6
184.13330	0.7
190.12303	0.5
190.15924	1.6
206.15431	0.4
208.13379	0.9
208.17020	0.6
209.11739	0.4
218.08200	0.3
218.19064	1.0
222.14925	1.0
226.14438	0.6
228.17480	0.4
228.51855	0.3
236.12779	0.8
236.20129	0.8
246.18619	1.3
258.99771	3.9
259.04950	0.4
264.19595	28.7
265.19968	1.2
277.00778	4.0
282.17120	5.1
282.20630	100.0
283.21017	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	283.133
Annotation	Stemofuran K
Peak:m/z	Relative Intensity
50.38233	0.6
59.05006	0.8
63.42938	0.6
70.69789	1.1
98.97559	1.6
103.77234	0.5
105.80743	0.6
159.08041	1.0
165.07004	1.3
171.08046	0.8
175.07513	0.9
179.08580	1.7
180.09294	0.9
195.08067	1.1
195.11702	1.3
196.08826	0.6
197.09601	5.8
205.10295	0.8
208.08827	6.0
209.09648	3.5
209.13379	0.9
210.10439	0.8
211.11191	1.4
212.12004	3.5
222.10417	2.2
223.11169	7.3
224.11920	2.9
225.09100	15.1
226.09918	0.8
227.14287	1.0
236.08313	0.9
237.09192	0.6
237.12665	2.1
239.10742	3.3
240.11453	22.1
241.11827	1.1
241.29793	0.5
250.09981	1.3
251.10692	3.9
252.11369	2.0
253.08615	8.7
255.13794	11.4
255.75710	0.8
256.14023	0.7
265.12219	3.7
266.13000	1.1
267.10168	34.2
268.10941	66.8
269.11264	2.0
281.11734	1.8
282.12418	0.7
283.13290	100.0
284.13632	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.133
Annotation	Stemofuran K
Peak:m/z	Relative Intensity
59.68100	0.3
69.41265	0.5
69.41657	1.1
70.06602	0.4
72.09823	0.5
81.07056	0.6
82.69265	0.4
89.06033	0.6
93.94466	0.3
98.22684	0.7
98.97571	2.7
100.32052	0.4
104.99267	0.4
116.98637	1.6
134.99574	0.5
165.07057	2.4
167.08580	0.4
169.10088	0.3
179.08580	2.0
180.09306	2.1
181.06483	0.4
181.10109	1.0
182.07317	0.8
183.08167	0.4
185.05923	0.8
189.06879	0.4
190.07784	3.1
191.08658	0.4
194.07320	0.7
195.11678	3.6
197.09607	4.1
205.10124	3.9
207.08038	0.8
208.08836	20.0
209.09557	3.6
210.06789	0.4
211.07574	0.6
218.07242	0.4
219.08084	0.5
221.05995	1.3
222.10490	0.5
223.11186	21.2
224.11646	0.9
225.09114	37.2
226.09511	1.8
233.09650	0.9
235.07474	2.4
236.08316	19.6
237.09111	1.9
239.10786	0.5
240.11458	7.6
241.12273	3.0
241.50932	0.4
247.44740	0.4
251.10675	90.1
252.11343	12.9
253.08595	23.6
254.08968	0.9
259.99924	0.9
267.10092	0.4
268.10944	28.9
269.11157	0.9
277.13046	0.5
277.35034	0.4
278.00977	1.1
283.13278	100.0
284.13596	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.133
Annotation	Stemofuran K
Peak:m/z	Relative Intensity
50.92879	0.4
55.05512	1.6
56.05032	0.8
56.96545	0.7
57.07074	0.8
57.53957	0.4
58.47343	0.4
60.35721	0.4
67.05498	2.5
69.03426	0.7
69.07056	1.6
69.80673	1.1
70.06589	0.8
75.27816	0.4
79.05500	1.1
80.63168	0.4
81.07049	1.8
82.06575	0.5
83.08622	0.6
88.07632	0.9
89.06005	1.3
91.05479	0.5
93.07056	0.9
93.26804	0.5
95.08598	1.5
98.97585	2.0
102.09156	0.6
104.99255	1.0
107.08617	0.6
109.10109	0.7
116.98588	2.0
134.08533	0.4
134.99629	0.9
135.08089	0.5
145.06461	0.5
149.83325	0.4
152.32935	0.3
153.06989	0.7
155.08636	0.6
155.10526	0.5
159.47246	0.4
165.06995	2.3
166.07687	0.5
167.08592	0.8
175.07637	0.9
179.08607	2.2
180.09370	2.0
181.10106	0.5
182.07291	0.5
185.09644	0.5
189.07011	0.4
190.07744	0.6
192.09378	0.8
193.10242	0.6
194.07330	0.5
194.10916	1.2
195.08025	0.9
195.11638	3.5
197.09587	3.3
201.09082	0.7
207.08093	0.8
208.08781	2.9
208.10545	0.4
209.09619	3.9
209.13443	0.5
210.10403	0.7
211.07533	1.1
212.08405	0.9
212.11935	1.1
222.10400	2.7
223.11174	7.4
224.08350	0.5
224.11887	2.6
225.09105	17.0
226.09862	3.5
227.10498	0.6
227.14349	0.7
235.07504	1.8
236.08209	0.8
237.09090	0.8
237.12755	1.5
239.10577	1.9
240.11444	17.7
241.12073	1.5
244.81247	0.4
250.09846	1.9
251.10695	3.3
252.11353	1.6
253.08630	5.1
254.09291	0.8
255.10086	0.9
255.13783	8.2
260.00110	0.5
264.26761	0.7
265.12283	1.1
265.21655	1.7
266.13016	1.5
267.10172	1.1
268.10934	12.7
268.13785	0.6
269.11685	3.9
278.00989	1.0
282.12415	0.8
282.27917	6.6
283.13269	100.0
283.28223	3.6
284.13852	9.9
284.29471	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	284.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.1
58.03469	0.2
59.04995	0.5
67.36435	0.2
69.03425	1.0
70.06593	1.0
72.08160	1.2
73.02914	0.2
82.99860	0.2
84.08161	0.4
85.02909	0.7
86.09732	0.3
87.04464	1.3
97.02896	0.5
98.97584	8.8
101.00878	2.8
105.05496	0.8
109.05116	0.4
110.03540	0.8
110.07183	1.1
116.98625	5.3
119.01920	7.2
120.02023	0.3
127.03957	0.5
128.04591	0.4
129.03967	0.3
134.99680	1.4
135.03021	2.3
136.06175	3.0
137.02963	1.2
140.98830	0.2
145.03471	0.4
150.07822	0.3
152.05672	46.1
153.04074	2.5
153.06018	0.3
158.99934	1.4
162.58299	0.2
165.99669	0.4
169.03525	0.3
171.05054	0.4
177.00955	10.6
178.01082	0.5
182.99942	0.6
187.04552	0.3
197.02910	0.5
201.00920	2.2
202.01077	0.4
213.12393	0.8
215.03975	2.5
217.04134	2.4
219.02000	15.7
220.02133	1.7
225.00836	1.7
226.01053	0.3
233.05135	1.6
233.11728	0.4
238.14447	0.2
242.98338	0.5
243.01953	9.2
244.02190	0.6
249.09589	0.4
259.99933	0.3
260.99881	3.6
261.03046	100.0
262.03177	7.5
263.03455	0.5
266.03625	0.2
278.00980	0.3
279.00616	5.5
284.00015	0.4
284.01541	0.3
284.04697	3.3
284.09784	0.5
284.14838	0.8
284.19641	1.4
297.80142	0.3
302.01205	0.9
303.00772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48779	1.2
52.35520	1.5
56.96557	2.9
57.59963	1.3
58.99862	2.7
60.54945	1.2
68.33247	1.5
69.03437	17.5
70.43636	2.3
70.67283	1.2
82.99847	4.1
85.02901	2.2
85.94665	1.5
87.04505	2.0
98.22801	1.6
98.97614	1.6
100.02480	4.6
101.00890	46.1
102.00938	1.7
105.05527	3.6
110.07218	1.6
111.02948	1.6
118.03525	1.5
119.01923	95.5
120.02043	2.2
122.52007	1.4
127.02493	1.6
129.04001	4.8
137.00804	1.3
137.02000	2.5
137.02948	16.2
142.03450	1.3
145.03445	14.3
147.05099	3.2
152.05698	5.9
153.04048	1.7
155.01884	2.1
160.04567	1.9
163.04506	4.3
168.05081	5.6
169.03467	8.2
170.06619	3.2
170.94168	1.4
171.05031	15.6
173.01381	2.5
173.02979	10.8
175.04549	1.4
180.05026	2.9
186.06192	1.6
187.04616	8.9
188.07573	2.0
189.06073	3.2
191.04010	6.2
196.04672	1.6
197.02946	19.6
198.06120	1.5
205.05624	3.6
214.05589	3.8
215.04005	100.0
216.04253	4.0
224.04123	3.3
233.05064	51.2
234.05231	2.9
238.05630	2.4
242.05074	11.4
243.03444	11.6
256.06934	1.5
261.04550	24.6
261.06921	1.5
265.12891	1.3
267.30600	1.8
279.05542	5.3
280.05563	1.4
284.11682	1.5
284.14844	4.7
284.18542	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	284.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
53.14152	1.6
54.48991	2.0
55.01871	6.9
57.03432	5.5
61.02924	7.7
69.03431	36.8
71.04987	6.6
73.02923	12.7
81.03419	34.2
85.02905	100.0
87.00831	41.7
87.04500	2.7
91.03945	2.3
97.02263	2.6
97.02896	50.4
99.04454	16.5
105.01871	62.4
108.04482	11.0
109.02872	31.0
115.03912	2.0
117.01832	4.8
126.05523	2.7
127.03918	91.1
128.04291	2.9
129.01833	4.6
136.41188	2.1
145.04961	81.4
147.02878	3.9
158.24057	1.8
159.02893	30.8
169.92699	1.9
177.03865	2.5
178.81557	2.3
193.09459	1.7
213.03902	5.2
230.06488	4.1
231.05008	27.3
231.07121	3.7
248.07652	4.2
249.06015	9.9
284.09738	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	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01868	0.2
55.90166	0.1
56.96555	0.4
57.03433	0.3
59.04982	0.1
62.89782	0.2
69.03414	0.6
69.84615	0.3
69.84966	0.4
70.06575	0.4
72.08146	0.5
81.69559	0.2
82.59059	0.1
84.08167	0.1
85.02902	0.1
86.09689	0.8
87.04456	0.2
97.02872	0.2
98.97574	1.5
101.00873	1.3
105.05523	0.2
109.05096	0.4
110.03529	2.1
110.07187	0.7
116.98621	0.7
119.01917	2.3
128.04570	0.5
134.04535	0.2
134.99669	0.3
135.03027	5.5
136.06203	0.9
137.02951	0.3
142.07181	0.2
152.05672	100.0
153.04091	5.6
153.05212	0.3
153.06114	0.9
160.08260	0.2
162.09772	0.2
172.08163	0.6
173.03065	0.2
177.00996	1.3
190.24950	0.2
191.03937	0.1
197.03004	0.4
201.00894	0.3
213.12363	0.3
215.03978	1.6
217.03993	0.3
219.01965	2.2
219.03806	0.2
220.02020	0.2
224.07927	0.2
225.01007	0.3
233.05092	0.7
238.14314	0.2
243.01836	1.1
260.99829	0.5
261.03018	13.3
262.03168	1.5
279.00580	0.7
284.04840	0.3
284.10077	0.2
284.14923	0.4
284.19571	0.7
285.16592	0.4
303.17633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93478	0.8
55.01870	1.0
56.96561	6.4
57.03427	2.4
58.60042	0.8
59.04990	1.0
61.02922	2.6
63.86617	0.7
69.03435	8.3
69.06759	1.1
69.07074	11.0
70.06584	6.9
72.08151	1.0
73.02905	2.3
73.40067	0.7
77.06046	31.1
81.03413	2.9
85.02406	1.3
85.02911	26.3
87.04445	1.2
87.08115	7.1
91.03956	1.3
97.02889	6.9
98.97575	12.3
99.04425	1.4
105.05506	100.0
105.09133	6.8
106.05865	1.4
106.06554	1.8
109.02883	2.5
112.07634	4.0
112.08312	0.7
116.98627	5.8
120.08086	2.4
121.06509	0.8
122.06020	0.9
122.09661	1.9
123.04422	1.0
127.03955	4.3
134.99617	4.1
136.06133	1.3
136.87105	0.9
145.04967	7.8
150.09126	1.3
151.03864	1.1
152.05690	1.3
152.07011	1.3
164.07080	0.9
165.05424	1.0
168.10219	1.4
168.99545	1.2
172.94354	1.3
186.14915	3.9
190.95291	0.9
196.00641	1.3
206.11668	1.5
207.01790	2.1
216.30727	0.9
219.01782	1.2
222.14961	1.4
224.12852	1.9
240.15944	2.5
248.16331	1.3
260.95990	2.5
260.99771	5.5
261.02585	4.8
266.14017	1.3
266.17490	2.2
278.97049	2.1
279.00681	3.7
284.02121	1.1
284.11414	1.3
284.15030	3.2
284.18549	41.9
284.29474	0.8
285.18860	1.2
288.62857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.141
Annotation	Metolachlor
Peak:m/z	Relative Intensity
57.07061	0.4
59.04987	0.3
59.59600	0.2
67.05479	0.3
69.03420	0.3
69.07045	0.4
70.06561	0.5
71.08592	0.2
71.46631	0.2
79.65801	0.2
80.94800	0.1
82.48045	0.1
88.07627	0.9
98.97572	0.8
102.09193	0.3
116.98613	0.4
118.06525	0.3
119.04905	0.2
130.06519	0.2
134.99652	0.3
144.08084	1.7
145.06474	0.2
145.08788	0.2
153.06926	0.2
164.91957	0.1
165.06993	0.5
166.07722	0.9
167.08527	0.2
171.08073	0.2
172.07541	0.5
172.08873	0.2
172.94124	0.1
173.08365	9.8
174.09026	0.5
174.76944	0.1
175.07507	0.2
179.08615	0.2
181.06404	0.2
181.10123	1.8
182.07179	0.2
183.08023	0.7
184.07550	1.5
185.09587	0.8
186.09090	1.6
187.09874	0.4
190.07669	0.2
191.08542	1.7
193.10075	0.6
194.07277	2.7
195.08041	0.9
195.11653	0.2
196.08766	0.3
197.09579	0.6
198.09073	0.9
198.10388	0.9
199.11275	0.2
200.10638	0.5
208.08861	0.7
209.09607	11.8
210.10364	4.4
211.07533	5.2
211.10931	1.0
212.07994	0.3
212.10382	0.2
213.12820	1.0
214.12372	0.2
221.06033	0.2
222.06656	0.3
223.07602	0.3
223.11166	1.4
224.08400	0.2
224.11664	0.2
225.09105	1.2
225.12440	0.4
226.09868	16.7
227.10182	0.7
235.07578	0.1
236.08340	0.4
237.09085	2.9
238.09845	3.3
239.06973	1.7
239.10590	0.4
240.11243	0.3
241.12213	38.9
242.12549	1.5
251.10646	1.6
252.11430	1.3
253.08655	0.7
253.12039	0.6
254.09360	8.8
255.09724	0.3
256.10614	0.2
260.99689	0.3
268.10745	0.3
269.11707	36.6
270.12097	1.4
278.64258	0.2
279.00647	0.3
283.13049	0.2
283.28009	0.2
284.14041	100.0
284.20032	29.3
284.29422	5.7
285.11255	0.6
285.14346	4.8
285.20242	0.9
285.29596	0.2
288.21976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1408
Annotation	Metolachlor
Peak:m/z	Relative Intensity
55.01865	0.3
55.05495	0.4
56.65831	0.3
57.07059	0.4
59.04982	0.3
60.04531	1.2
67.05475	0.6
69.03400	0.9
69.07073	0.6
69.19389	1.5
70.06609	0.3
81.07043	0.5
91.05447	0.3
95.08611	0.6
98.22620	0.4
131.04887	0.5
134.99612	0.3
135.07990	0.3
151.07507	0.3
153.06981	0.3
164.98950	0.2
165.07002	0.7
166.07744	0.8
167.08582	0.4
172.08844	0.3
175.07529	0.8
178.07617	0.3
180.09274	0.4
181.10092	1.8
183.08060	0.5
184.08667	0.3
185.09561	0.5
191.08530	0.5
193.06494	0.3
194.07190	0.5
195.07997	1.0
197.09644	0.4
198.10277	1.0
199.11208	0.8
208.08855	1.9
209.09595	5.6
210.10345	3.6
211.07552	2.5
211.10773	0.4
212.08205	0.6
213.12616	0.9
221.05952	0.4
222.06598	0.2
223.11183	2.4
224.11549	1.2
225.09091	1.6
225.12399	0.6
226.09839	11.1
227.10448	0.9
236.08281	0.6
237.09073	2.9
238.09801	3.5
239.06973	1.6
239.10361	0.4
240.11436	0.6
241.08463	0.5
241.12178	9.4
242.12622	0.4
251.10648	1.2
252.11293	1.2
253.08533	1.5
253.12004	0.6
254.09370	12.5
254.28468	0.5
255.09724	0.4
255.13654	0.3
256.14117	4.9
269.11713	75.8
270.12064	3.0
284.14041	100.0
284.29465	5.0
285.11389	0.4
285.14386	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	284.1857
Annotation	Amabiline
Peak:m/z	Relative Intensity
55.01839	0.5
55.05512	0.6
56.73308	0.5
56.96569	4.4
58.06599	7.8
59.70624	0.5
62.20012	0.5
67.05508	2.0
69.03431	2.5
70.06589	0.9
79.05486	2.9
81.07050	1.9
84.08147	2.2
85.02908	0.7
87.04469	26.8
88.42637	0.5
91.05478	1.1
93.07022	0.7
95.08550	0.5
97.02892	9.7
97.06512	1.1
98.97581	1.7
98.98527	0.6
99.04477	0.6
105.07042	1.3
107.08595	10.9
109.06486	0.6
109.10134	1.3
110.07159	1.3
111.04456	1.1
114.09180	1.3
115.05409	0.5
116.98618	1.4
117.07020	2.3
123.13949	0.5
123.80421	0.5
125.09648	3.3
135.08049	8.9
151.03885	1.7
152.05722	0.5
153.09094	6.5
164.10767	0.6
168.10132	0.7
170.15382	1.2
174.02214	3.0
180.13863	0.6
181.89153	0.5
188.03807	0.8
192.03319	4.6
195.42110	0.5
198.14897	35.3
199.15213	1.2
206.04919	1.1
210.04449	1.2
215.04935	2.5
217.06490	1.4
224.16350	0.7
233.06018	1.4
235.07611	1.9
243.04405	0.6
260.99600	0.7
261.02945	1.3
261.05447	10.5
266.13791	0.9
279.06506	5.8
284.18561	100.0
285.18884	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	284.295
Annotation	Stearamide
Peak:m/z	Relative Intensity
53.03951	0.5
55.05265	0.6
55.05516	9.4
56.05033	1.8
56.96560	0.4
57.07079	5.3
57.83808	0.4
60.04528	28.3
67.05162	0.7
67.05508	11.9
69.06715	0.5
69.07071	9.3
70.06595	3.5
71.04994	1.4
79.05488	1.2
80.94851	0.4
81.07061	13.0
82.94597	0.5
83.08620	6.7
85.06533	0.7
85.10179	1.2
85.21439	0.3
88.07642	1.8
95.08611	14.5
96.08938	0.3
97.10172	4.4
98.97569	1.8
102.09190	1.1
109.10146	4.6
111.11707	1.0
116.98602	1.3
120.96729	0.5
123.11692	1.6
134.99594	0.4
160.47279	0.3
164.92085	2.1
165.06990	0.6
240.26814	0.8
253.08678	0.6
254.28426	12.7
255.28639	0.5
260.95825	0.4
261.89368	0.4
266.28415	4.1
279.00790	0.5
284.29486	100.0
285.24557	0.5
285.29843	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	285.1122
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
50.57369	0.4
57.07047	0.4
58.55532	0.4
60.08123	0.6
64.30585	0.4
66.75599	0.4
67.05441	0.4
69.41216	1.9
91.05453	0.8
95.04949	0.5
105.07026	3.0
109.06438	0.4
115.05446	1.1
121.06472	0.7
133.06496	2.2
135.08034	0.6
137.05972	2.8
146.03632	3.2
151.07469	1.1
153.06911	1.5
154.07761	2.3
161.05977	13.9
163.07521	0.4
165.06996	21.8
166.07619	0.6
177.07068	0.5
179.08556	0.7
181.06456	3.3
182.07269	8.8
183.07997	0.8
192.05804	0.5
193.06483	22.0
194.07155	2.3
195.08115	0.5
197.09706	0.9
207.08110	0.8
209.05927	1.4
210.06761	16.5
211.07539	2.2
220.05115	0.8
221.05971	27.7
222.06567	1.9
224.08336	0.7
225.09097	36.2
226.09444	1.3
227.06889	1.1
237.05467	1.0
238.06223	9.0
238.09917	0.5
239.06924	2.1
253.08588	100.0
254.09183	6.6
255.06528	0.9
270.08838	2.6
284.29724	0.9
284.33118	2.0
285.11218	45.6
285.14517	2.6
285.29977	0.4
285.33322	0.8
286.11572	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Batatasin I
Peak:m/z	Relative Intensity
50.37264	0.3
57.07024	0.3
59.15120	0.3
60.08137	0.7
69.46545	1.5
79.05455	0.5
81.07011	0.5
86.93480	0.3
91.05457	0.8
100.76730	0.4
101.70058	0.3
103.05457	0.8
105.07054	2.3
105.07616	0.5
108.37141	0.4
108.84978	0.4
109.06487	0.4
115.05418	0.8
120.96623	0.4
121.06477	0.8
123.04485	0.5
131.04822	0.4
133.06502	1.7
135.08006	0.4
137.05971	1.9
146.03639	3.3
147.04416	0.5
150.40907	0.4
151.07510	1.1
152.06070	0.4
152.39005	0.4
153.07016	1.7
154.07767	1.9
155.08490	0.4
161.05989	14.7
162.06427	0.8
164.06290	0.3
165.07001	23.0
166.07491	0.5
177.06987	0.7
179.08591	0.7
181.06502	3.9
182.07275	8.8
183.07750	0.4
192.05710	0.9
193.06490	21.3
194.07256	2.4
197.09651	0.9
199.07611	0.4
207.08000	0.4
209.05994	1.8
210.06769	16.5
211.07423	2.0
220.05219	0.5
221.05983	27.1
222.06644	2.6
223.07516	0.4
224.08275	0.5
225.09109	34.3
226.09433	1.3
227.06955	1.2
237.05443	0.8
238.06248	8.3
239.06940	2.4
253.08600	100.0
254.09134	7.5
255.06563	1.3
260.97348	0.4
269.07977	0.5
270.08887	2.5
284.29550	0.9
284.33087	3.1
285.11221	43.4
285.14349	1.7
285.33405	1.5
286.11707	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	285.1123
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
50.63165	0.8
51.53263	0.7
55.00268	0.9
55.04058	0.7
58.00546	0.8
67.05495	1.2
68.20435	0.8
69.03426	0.9
69.14163	0.7
71.45891	0.8
81.07050	1.2
91.05486	7.0
93.07027	3.1
95.08559	1.1
105.06999	1.1
109.06521	2.8
109.22746	0.9
119.06023	1.1
119.08604	1.6
121.06505	21.2
121.07332	1.7
135.08029	1.9
149.09694	1.1
151.07535	2.7
151.51462	0.8
159.08028	1.0
161.06038	1.0
163.07535	1.5
165.06960	2.1
165.11475	1.0
173.09663	1.1
179.08615	1.4
181.05000	1.1
181.06383	4.5
183.07993	0.9
185.09608	1.0
186.97260	0.8
193.10098	1.8
195.08058	2.7
196.08813	9.1
196.22035	0.8
199.07492	1.0
201.12790	1.7
209.06055	1.3
209.09604	0.9
210.06718	0.8
210.10338	0.9
211.11140	1.2
221.05908	1.9
224.08321	100.0
225.08846	5.3
225.12709	3.3
227.10585	1.2
237.05338	1.2
239.10660	94.1
240.10991	3.0
243.13905	3.9
252.07845	2.1
253.08571	3.3
253.12213	2.1
257.15390	4.5
257.17737	1.0
267.10159	44.3
267.13431	1.9
268.10422	1.9
270.12451	1.2
285.11176	3.2
285.14828	14.9
286.14590	1.7
286.17798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1491
Annotation	Magnatriol B
Peak:m/z	Relative Intensity
54.39909	1.5
55.05515	1.8
57.07071	4.7
61.14622	1.8
64.87805	1.4
64.94547	1.3
69.14128	11.2
71.08616	3.0
81.07077	2.9
91.05458	3.6
93.61076	1.5
95.08618	4.8
98.97556	1.9
105.07020	2.2
109.10150	2.8
119.08575	1.7
119.40181	1.6
121.06497	6.9
135.08031	5.3
137.06001	1.6
147.07983	2.4
148.08408	2.0
150.18243	1.7
151.07523	6.2
161.05995	1.7
165.07008	4.9
171.08041	1.8
177.09135	2.0
179.08449	2.5
181.10065	2.3
182.07249	2.3
183.07979	1.5
183.17511	2.4
191.08691	1.8
192.09352	5.4
193.06458	2.5
193.09982	2.5
195.08058	5.6
201.89996	2.0
207.11780	9.4
209.09601	5.1
210.06831	3.3
210.10390	11.5
211.11235	2.4
220.08862	3.1
221.05988	3.9
221.09492	2.5
223.07446	2.9
224.11960	3.8
225.09180	7.8
225.12717	13.8
227.10669	4.0
235.11179	19.5
236.11871	5.3
237.09065	5.8
238.09898	27.0
239.10567	5.4
239.14351	3.2
240.23210	26.6
243.10164	1.8
245.32950	1.8
251.10562	3.0
252.11421	10.8
253.08594	16.5
253.12215	71.5
254.12988	16.7
255.10178	11.5
257.15448	2.2
267.13800	11.2
267.22363	4.2
269.11609	3.1
270.12503	23.6
285.11298	11.3
285.14822	100.0
285.29022	20.3
286.14938	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	285.1487
Annotation	Magnatriol B
Peak:m/z	Relative Intensity
54.73323	0.3
60.21275	0.3
67.05482	0.3
67.08428	0.3
69.03404	0.9
69.42513	0.6
69.42913	1.0
79.02517	0.3
83.01294	0.3
83.17147	0.3
92.91364	0.3
105.06975	0.3
114.04958	0.2
119.06013	0.3
121.06501	2.2
129.62839	0.3
136.83032	0.3
145.06491	0.6
147.08041	0.3
153.06987	0.5
155.08577	0.5
158.07265	0.3
165.07033	0.7
165.08994	0.4
166.07800	0.3
167.08530	0.8
169.06462	0.4
169.10117	1.2
171.08095	1.6
176.71307	0.3
178.07713	0.4
179.08507	0.9
181.06465	1.2
181.10103	2.2
183.08073	2.4
185.09642	0.4
191.08514	0.8
192.09343	3.0
193.10156	1.6
194.07190	0.4
195.08041	11.0
196.08775	3.0
197.09540	1.6
197.13257	1.5
199.11191	0.6
205.06485	0.6
206.07207	0.3
207.11676	7.9
208.08817	0.4
208.12119	0.4
209.09619	4.7
210.10388	20.8
211.11137	6.4
212.08327	1.5
219.08051	0.6
220.08823	3.8
221.09563	2.2
221.65302	0.3
222.10336	0.9
223.07599	2.1
223.11125	0.5
224.08318	2.4
224.11928	0.9
225.09073	1.3
225.12732	19.7
226.13179	1.2
227.10652	10.3
228.11018	0.6
235.11169	7.9
236.11859	2.4
237.09100	5.2
237.12663	1.4
238.09872	33.5
239.10619	13.3
239.14413	0.7
240.07870	1.2
240.11108	0.8
241.08536	0.4
241.12405	0.4
242.13000	3.5
243.13625	0.5
251.10661	0.6
252.11491	3.2
253.12230	74.7
254.12985	41.3
255.10165	14.6
255.13303	2.0
256.10565	0.9
267.10828	0.4
267.13751	3.1
269.11691	2.4
270.12500	37.9
271.12827	2.3
285.14838	100.0
286.15189	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	285.1489
Annotation	CHEBI:66229
Peak:m/z	Relative Intensity
55.05503	2.2
57.03430	3.6
57.07086	11.7
60.04522	1.8
67.05508	4.7
69.07069	4.3
70.51378	2.2
70.51701	1.5
71.08633	5.6
79.05511	4.1
80.94862	2.2
81.07053	5.5
83.08620	3.2
83.71512	1.3
85.10179	4.6
91.05479	14.4
93.07054	2.9
95.04951	2.9
95.08604	6.9
97.06528	1.4
97.10173	2.6
97.60490	1.2
98.22775	1.3
98.36642	1.2
103.05540	1.4
105.07045	13.7
107.04941	3.9
107.08584	1.9
109.06517	3.4
109.10175	3.4
111.04460	1.5
117.06992	3.2
119.04882	1.1
119.06055	2.3
119.08574	5.0
120.96651	4.1
121.06514	40.9
121.10110	1.3
123.08079	7.7
125.06017	3.1
132.05827	1.9
133.06477	4.4
133.07520	1.6
135.04443	2.2
135.08060	40.9
137.05983	15.5
139.07564	1.8
145.06490	2.6
146.07191	1.1
147.08047	12.6
148.08838	3.0
149.05991	6.7
149.07080	2.6
149.09604	11.3
151.07549	80.1
152.07962	2.0
159.08051	2.0
161.05980	3.7
161.09567	8.3
162.06676	2.0
163.07541	22.9
164.91989	3.0
165.06996	4.3
165.09113	5.0
175.07545	2.2
175.11168	2.5
177.09109	11.2
181.06276	1.4
182.07227	2.1
187.11108	1.8
189.09123	3.8
190.09908	4.3
193.06458	3.5
193.10173	3.5
195.08089	3.3
209.09518	2.4
210.06737	2.3
210.10284	3.0
221.06047	4.4
225.09134	6.0
225.12663	2.8
227.10603	2.3
237.09142	1.7
238.06505	2.0
238.09848	3.9
239.10452	2.0
252.11353	1.9
253.08614	12.7
253.12187	7.8
254.12889	2.4
255.10106	1.8
267.13831	1.4
268.48846	1.3
270.12442	4.9
284.29514	1.7
285.11383	9.3
285.14850	100.0
285.24219	22.7
285.29776	5.5
286.10580	1.8
286.15103	5.7
286.31024	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1488
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
56.29359	1.6
57.07087	2.2
67.05501	5.5
69.03448	2.7
69.48125	6.2
81.07061	2.1
90.71098	1.8
95.08595	3.6
116.04736	1.8
120.08120	2.4
120.96671	3.0
121.06489	4.1
125.02336	9.2
131.05013	2.1
135.04510	2.7
135.08040	3.0
151.07637	3.0
153.95094	1.8
155.74921	1.8
161.05984	5.5
162.12787	7.4
165.07034	9.7
165.09312	1.8
167.08521	1.9
179.08574	4.7
181.10234	2.2
182.07333	5.3
183.07974	2.6
192.09306	10.7
193.06482	8.1
193.10094	2.7
194.07095	2.3
195.08144	2.5
196.08972	2.0
197.09592	4.2
207.11699	19.2
209.09596	9.1
210.06769	9.1
210.10347	7.1
211.11221	3.1
219.08116	2.1
220.08833	4.4
221.05949	10.0
221.09543	2.8
223.07651	2.3
224.08389	3.4
224.11974	12.7
225.09123	21.1
225.12645	3.6
227.07066	3.8
235.11172	24.0
236.11906	4.5
237.09093	10.8
238.06287	6.9
238.09810	12.4
239.07150	3.3
239.10614	5.9
239.14281	30.8
240.23521	2.8
241.08626	2.6
242.09389	2.7
243.10120	2.5
252.11458	24.1
253.08632	37.6
253.12259	23.0
254.09300	7.4
254.12950	8.0
255.10170	8.0
257.11761	6.6
267.10260	12.8
267.13824	69.8
267.25244	3.0
268.10767	4.7
268.13788	3.2
269.08267	10.5
269.11026	2.4
270.08755	5.0
270.12485	15.7
271.09576	4.5
277.09235	1.9
283.09482	3.3
285.11246	40.9
285.14841	100.0
285.29346	2.9
286.11923	10.7
286.14902	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84760	1.3
53.03938	2.9
55.01867	4.0
55.05510	24.7
57.03437	49.8
58.03745	1.5
58.11163	1.3
59.04987	1.6
65.03935	2.5
67.05504	32.1
69.03418	5.5
69.07066	10.5
69.33318	6.9
71.04987	11.4
76.52272	1.2
78.77236	1.5
79.05497	30.1
81.03416	82.5
81.07055	42.7
83.04984	16.0
83.08619	34.7
85.02905	85.9
85.06539	3.4
91.05482	37.7
93.07047	22.1
95.04965	33.3
95.08603	15.4
97.02910	3.1
97.06530	8.1
97.10188	7.2
99.08125	2.0
102.45736	1.2
103.17719	1.3
105.07031	29.4
106.07339	1.2
107.04951	6.8
107.08596	12.2
109.06515	8.3
109.10159	5.2
111.04446	5.4
111.08084	20.4
112.08401	1.6
113.06001	5.7
115.05466	2.9
117.07003	2.7
119.08568	28.3
121.06500	1.8
121.10131	14.4
123.08055	4.0
123.11720	3.3
129.07011	11.3
131.08575	13.6
133.06503	3.6
133.10155	14.0
137.09633	2.9
139.99440	1.3
142.07802	2.5
145.10112	3.1
147.08072	2.9
147.11679	24.8
149.09631	8.7
157.10141	20.1
163.11224	1.5
165.12750	5.4
175.11201	23.4
180.01270	1.3
193.12245	100.0
194.12549	2.7
206.92154	1.4
211.13284	88.1
212.13675	3.9
253.08624	3.0
267.16003	1.8
285.16980	92.3
286.17450	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.84760	1.3
53.03938	2.9
55.01867	4.0
55.05510	24.7
57.03437	49.8
58.03745	1.5
58.11163	1.3
59.04987	1.6
65.03935	2.5
67.05504	32.1
69.03418	5.5
69.07066	10.5
69.33318	6.9
71.04987	11.4
76.52272	1.2
78.77236	1.5
79.05497	30.1
81.03416	82.5
81.07055	42.7
83.04984	16.0
83.08619	34.7
85.02905	85.9
85.06539	3.4
91.05482	37.7
93.07047	22.1
95.04965	33.3
95.08603	15.4
97.02910	3.1
97.06530	8.1
97.10188	7.2
99.08125	2.0
102.45736	1.2
103.17719	1.3
105.07031	29.4
106.07339	1.2
107.04951	6.8
107.08596	12.2
109.06515	8.3
109.10159	5.2
111.04446	5.4
111.08084	20.4
112.08401	1.6
113.06001	5.7
115.05466	2.9
117.07003	2.7
119.08568	28.3
121.06500	1.8
121.10131	14.4
123.08055	4.0
123.11720	3.3
129.07011	11.3
131.08575	13.6
133.06503	3.6
133.10155	14.0
137.09633	2.9
139.99440	1.3
142.07802	2.5
145.10112	3.1
147.08072	2.9
147.11679	24.8
149.09631	8.7
157.10141	20.1
163.11224	1.5
165.12750	5.4
175.11201	23.4
180.01270	1.3
193.12245	100.0
194.12549	2.7
206.92154	1.4
211.13284	88.1
212.13675	3.9
253.08624	3.0
267.16003	1.8
285.16980	92.3
286.17450	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48092	4.2
51.12107	3.5
51.68815	3.8
53.03944	7.0
55.01875	3.8
55.05512	31.1
57.03437	57.6
57.07072	7.6
59.14985	4.1
60.08167	10.0
61.95457	4.4
67.05503	47.3
69.03436	4.6
69.07065	16.6
71.04992	15.4
79.05493	37.3
81.03419	75.2
81.07060	62.8
83.04972	16.1
83.08625	41.4
85.02901	86.9
85.06532	6.6
91.05488	45.6
93.07048	29.3
95.04964	41.5
95.08064	3.9
95.08620	24.3
97.06528	9.3
97.10125	6.0
103.97574	3.9
105.07019	38.0
107.04980	7.4
107.08596	17.6
109.06526	5.9
109.10163	8.0
110.53747	4.5
111.04438	4.5
111.08087	19.5
113.05984	5.9
119.08560	30.5
119.44024	3.9
120.96685	5.7
121.10151	16.6
123.11720	6.3
129.07027	16.4
131.08594	15.6
133.10115	10.2
145.10236	3.9
147.11716	25.2
149.09656	7.5
157.10152	25.6
159.35896	4.1
165.12776	7.5
175.11165	26.6
192.82675	4.5
193.12253	100.0
196.29318	4.0
199.15192	3.9
211.13289	70.5
226.92648	4.5
264.33310	3.9
284.33026	35.0
285.16916	83.6
285.22034	7.4
285.33411	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03944	2.8
55.01876	5.1
55.05258	1.5
55.05513	25.3
57.03439	53.8
57.07076	1.5
59.04992	1.9
65.03941	2.3
67.05504	43.4
69.03426	5.9
69.07060	10.1
69.69399	2.0
71.04996	11.0
73.02882	1.5
77.03928	1.4
79.05495	40.6
81.03419	100.0
81.07058	47.7
83.04530	1.7
83.04987	23.2
83.08621	33.1
84.08962	1.0
85.02905	83.7
85.06542	2.9
86.03239	1.4
87.04465	1.3
91.05481	51.9
93.07046	25.6
95.04969	42.4
95.08613	18.1
97.02892	4.7
97.06532	7.6
97.10172	3.4
99.04432	1.1
99.08097	2.7
105.04536	1.2
105.07038	34.1
106.44820	0.9
107.04954	9.5
107.08598	9.8
109.06516	8.9
109.10157	4.8
111.04439	4.1
111.08084	18.3
113.06010	8.7
115.05447	2.5
117.07040	2.9
119.08583	31.1
121.06519	2.7
121.10136	16.7
123.08067	5.6
123.11719	4.3
125.09628	2.0
128.06258	1.0
129.06999	16.3
131.08559	13.6
133.06497	4.2
133.10135	15.1
135.11638	1.4
137.09637	2.7
142.07803	5.8
145.10112	1.9
147.08054	5.4
147.11688	23.6
149.09619	10.5
157.10126	21.3
163.11156	1.6
165.12741	6.0
175.11176	23.9
192.21057	1.0
193.12242	86.5
194.12589	3.2
202.82574	0.8
211.13293	57.7
212.13634	1.6
221.09097	0.9
229.14421	1.3
252.83804	1.0
267.15955	9.4
285.16965	89.7
286.17383	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.04494	0.8
53.03939	3.1
53.84261	0.8
55.01863	3.0
55.05512	11.6
57.03442	13.5
59.04994	0.7
62.74480	0.7
67.05506	17.2
69.03427	3.4
69.07076	4.2
69.45399	1.5
69.45813	2.7
71.04986	3.1
79.05497	15.6
81.03421	100.0
81.07059	18.5
82.03736	1.3
82.08818	0.7
83.04983	9.7
83.08620	24.6
85.02907	18.4
85.06536	1.4
91.05481	22.6
93.07040	10.9
95.04971	30.1
95.08611	6.4
97.02895	3.4
97.06509	2.8
97.10167	1.9
105.07030	13.2
107.04948	7.7
107.08617	5.6
109.06519	4.8
109.10159	2.2
111.04426	2.3
111.08089	14.0
113.06007	1.9
115.05455	1.7
117.07013	2.2
119.08592	13.5
121.06490	1.2
121.10166	6.5
123.08031	1.9
123.11707	2.7
125.09622	1.1
127.07536	0.9
128.06250	0.9
129.06998	9.8
131.08562	8.9
133.06508	2.8
133.10139	6.5
137.09621	1.6
142.07761	1.9
145.10141	1.3
147.08063	3.4
147.11688	11.3
149.09612	3.3
157.10136	14.5
165.12741	3.6
175.11194	15.2
190.96494	1.0
193.12248	71.6
193.68118	0.7
194.12688	2.0
211.13290	24.4
225.09135	1.0
229.14346	1.4
253.08745	1.3
267.15933	16.3
285.11346	5.4
285.16974	29.3
285.22018	1.5
286.17520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33194	1.3
53.03941	3.7
55.01859	3.3
55.05307	1.4
55.05515	13.9
57.03436	23.4
67.05503	26.8
69.03423	5.4
69.07052	6.9
69.22620	4.9
71.04989	6.4
79.05491	24.4
81.03416	100.0
81.07057	25.7
83.04992	11.3
83.08620	25.8
85.02905	44.7
85.06543	2.7
91.05479	28.9
93.07048	16.4
95.04966	35.8
95.08619	9.6
95.29015	1.3
97.02891	5.4
97.06522	5.2
97.10174	2.1
99.08057	1.3
105.07027	22.7
107.04934	7.5
107.08604	8.7
109.06505	4.0
109.10151	4.5
111.08082	13.6
113.05999	4.0
117.07059	2.2
119.08587	20.2
121.06555	1.3
121.10154	11.7
123.08055	3.3
123.11700	3.1
129.07005	10.7
131.08549	12.3
133.06512	4.2
133.10107	9.1
137.09637	2.5
142.07809	2.9
145.04929	2.8
145.10126	2.1
147.08102	2.5
147.11682	15.8
149.09596	8.9
157.10129	15.1
165.12805	5.0
175.11203	20.6
193.12241	77.2
194.12523	2.1
211.13287	37.6
229.14355	1.3
236.89893	1.3
241.14400	1.4
253.08577	1.5
266.73264	1.2
267.15924	14.3
285.11740	2.0
285.16968	48.7
286.17297	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.13814	0.6
53.03950	2.7
53.89554	0.6
55.01871	1.4
55.05510	5.5
56.91832	0.5
57.03438	5.7
60.07331	0.5
61.74331	0.6
63.55856	0.6
65.03954	0.8
67.05161	0.8
67.05508	12.1
69.03424	1.7
69.07082	2.8
71.04993	2.2
79.05491	11.0
81.03419	100.0
81.07056	9.8
82.03736	1.1
83.04991	4.2
83.08619	18.4
83.09096	1.1
84.08957	0.7
85.02904	3.2
91.05481	12.2
93.07038	6.2
95.04969	23.8
95.08610	4.0
97.02900	1.7
97.06539	1.0
97.10170	1.5
99.08101	0.7
105.07025	9.5
107.04971	4.5
107.08591	2.7
109.06520	1.4
109.10164	1.2
111.04475	1.3
111.08094	10.0
111.90128	0.6
115.05364	1.1
117.07059	1.5
119.04955	0.7
119.08581	8.7
121.06521	1.3
121.10126	4.9
123.08074	1.2
128.06210	0.9
129.07031	6.3
131.08578	5.8
131.53862	0.6
133.02890	0.7
133.06497	2.5
133.10175	3.7
137.09669	1.3
142.07805	2.2
145.10123	1.4
147.08043	2.7
147.11684	6.0
149.09607	3.6
157.10144	8.0
165.12802	1.5
175.11177	12.4
193.12253	49.6
194.12625	1.2
211.13306	7.5
243.00389	0.7
244.35748	0.6
253.08829	0.7
267.15909	14.6
267.18729	0.9
285.10922	1.4
285.16956	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	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.32432	1.8
51.87521	1.7
53.03941	3.2
55.01876	3.5
55.05511	14.4
57.03445	25.6
57.07082	11.2
67.05509	25.9
69.03448	5.0
69.07070	7.4
70.06609	3.5
71.05012	7.3
71.08637	4.5
79.05486	18.2
81.03422	100.0
81.07054	25.2
83.04977	9.4
83.08622	24.4
85.02911	46.8
85.03416	2.8
85.06570	3.1
85.10207	2.8
88.07655	2.8
91.05484	27.2
93.07058	13.8
95.04970	32.9
95.08597	10.7
97.06544	4.6
97.10191	3.5
99.08144	3.2
102.09207	3.1
105.07037	22.6
107.04953	5.5
107.08607	7.8
109.06517	5.7
109.10168	3.3
111.04453	2.7
111.08081	17.7
113.06018	5.3
114.01443	2.2
115.05500	3.1
119.08614	14.7
120.96703	2.0
121.06519	3.8
121.10136	9.8
123.08068	3.5
123.11726	3.1
129.07007	9.2
131.08575	9.6
133.06502	3.9
133.10149	4.7
135.08112	4.2
142.07863	2.2
147.08014	4.4
147.11673	17.3
149.09616	7.1
151.07544	6.0
157.10092	10.9
161.06026	6.6
164.92091	3.0
165.07010	14.2
165.12762	4.1
175.11226	17.8
182.07310	4.3
193.06491	10.8
193.12242	72.7
193.13942	4.0
194.12567	2.5
210.06741	9.2
211.07419	2.4
211.13293	48.4
211.15105	3.3
212.23854	2.6
221.05969	12.3
225.09097	15.4
229.14429	2.6
230.24866	7.1
238.06232	3.7
253.08615	45.5
254.09187	4.5
267.15979	12.5
284.29507	12.5
285.11407	29.2
285.17078	69.6
285.24368	7.8
285.29855	22.2
286.17325	3.0
286.27570	6.2
286.31146	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	285.2215
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05525	21.2
62.18206	9.5
67.05519	36.7
69.07077	62.2
79.05506	19.7
81.07052	45.4
83.08640	16.4
85.10721	9.7
91.05499	33.9
93.07049	40.1
95.04964	13.2
95.08619	52.9
97.06542	15.7
98.23466	18.1
105.07030	86.3
107.08601	47.3
109.06533	29.3
109.10177	38.3
112.79590	9.2
117.07039	15.7
119.08569	91.3
121.06503	16.1
121.10165	39.6
123.11734	28.9
133.10152	65.9
135.11691	16.1
143.08522	8.8
145.10135	28.2
147.11729	25.7
161.09665	100.0
161.13188	8.8
171.11630	9.4
175.14870	57.6
177.16359	10.4
183.37326	8.4
185.13231	11.0
193.15773	12.1
195.64574	8.7
197.13252	16.2
211.14951	21.7
215.18114	11.0
217.93637	8.7
267.21164	21.4
285.22214	33.0
285.25455	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36542	0.6
54.70795	0.5
55.05511	2.1
56.05032	1.1
57.03436	1.4
59.04998	2.6
59.16530	0.5
61.02929	4.9
64.03149	0.5
65.03931	0.5
68.05019	1.1
69.75986	1.8
70.06593	6.0
71.04997	6.2
72.08144	1.8
79.05498	2.1
81.04562	1.0
81.07056	10.9
82.05334	1.8
83.06110	10.2
84.08146	1.6
85.01128	1.2
87.08109	1.4
93.04533	6.4
95.05487	0.8
95.06097	15.4
98.22799	1.1
98.97539	0.6
101.00871	0.9
102.03734	1.0
102.96860	0.7
107.06077	1.9
110.07168	100.0
111.05589	1.3
111.07544	1.1
112.07590	2.3
112.08716	2.8
113.09672	0.7
116.07090	2.2
119.01876	0.7
119.06068	1.2
121.07635	1.3
136.71178	0.5
140.07103	1.9
146.09679	0.9
156.07697	13.4
163.12309	51.7
164.12703	1.0
166.06114	2.2
171.11333	0.7
173.09276	0.7
176.02234	1.1
179.00757	1.1
187.10773	0.6
190.13385	8.1
199.03888	1.3
200.34860	0.6
208.14444	10.0
210.15959	1.5
217.04964	0.7
219.11317	2.1
221.01717	1.6
227.03470	0.6
236.13951	9.5
237.77414	0.6
240.17039	8.6
241.15414	0.7
242.18454	0.8
245.01912	0.8
254.15002	23.4
255.15405	0.9
259.58783	0.6
262.99619	0.7
263.02893	11.1
264.02859	0.6
268.16522	0.5
286.05502	1.2
286.17618	82.9
287.06113	3.0
287.11011	27.9
287.17892	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	286.1803
Annotation	Cocculidine
Peak:m/z	Relative Intensity
69.59507	0.8
79.05498	0.2
91.05483	0.8
93.07042	0.6
95.08596	0.3
109.06488	0.3
120.08121	0.3
121.06496	2.1
121.08880	2.9
128.96501	0.2
134.09651	23.7
135.10013	0.5
143.56088	0.2
163.97171	0.2
165.11493	69.0
166.11874	1.6
187.43857	0.2
242.15399	1.1
251.34227	0.2
254.15413	1.2
268.06339	0.6
268.10568	0.2
271.15598	0.4
281.63956	0.2
286.17999	100.0
287.18341	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	286.2014
Annotation	Heliovicine
Peak:m/z	Relative Intensity
55.05502	0.8
56.04630	0.4
56.05038	0.3
57.07074	0.5
58.06599	6.8
67.05499	4.3
69.03419	0.6
69.07067	0.6
70.06596	2.8
70.17350	0.3
70.61358	0.5
71.04995	3.1
71.34071	0.3
72.08147	0.5
74.51124	0.4
79.05499	0.8
81.07063	4.0
84.08137	0.8
85.06542	2.6
86.09714	0.3
87.04465	20.7
93.07069	0.8
95.04970	0.8
95.08601	1.5
97.06532	3.6
99.04445	2.0
99.08083	0.8
105.01327	0.3
107.04926	0.4
109.10151	8.6
111.08062	0.4
113.06018	0.4
113.39100	0.3
114.09150	0.8
116.07065	1.5
117.91525	0.3
119.08527	0.6
127.11188	0.8
132.10204	1.0
134.03690	0.4
137.05943	0.4
137.09639	3.9
141.10208	0.4
143.94125	0.3
148.02289	0.3
155.10655	3.2
167.01677	0.7
173.09206	0.6
180.13844	2.1
182.15431	2.7
197.02609	0.5
200.16447	27.4
201.16771	0.8
211.10881	0.5
242.17471	0.6
254.17632	0.6
268.16223	0.6
268.19086	2.7
286.20111	100.0
287.20438	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	286.2742
Annotation	D-erythro-Sphingosine C-17
Peak:m/z	Relative Intensity
55.05266	0.2
55.05515	3.6
56.05035	0.8
57.03437	1.0
57.06815	0.3
57.07077	5.0
58.06595	0.8
60.04529	9.1
65.26720	0.2
67.05505	2.3
68.01502	0.2
68.05033	7.6
69.07074	3.8
69.46148	0.8
69.46518	0.4
70.06603	1.2
71.04987	0.5
71.08633	2.2
72.04513	1.0
74.06089	0.4
79.05482	1.1
81.07064	2.6
82.06578	2.0
83.04978	0.5
83.08624	2.8
84.08138	0.3
85.10189	1.2
86.06076	4.5
91.05489	0.3
93.07059	1.0
95.08615	2.0
96.08139	1.2
97.10178	1.5
100.07632	0.3
107.08631	0.3
109.10168	0.9
114.09155	0.5
121.10119	0.5
123.11709	0.4
124.11216	0.3
125.68171	0.2
137.85953	0.2
192.58913	0.2
194.06674	0.2
212.23734	4.2
240.26860	1.1
250.25308	13.3
251.25650	0.8
267.38293	0.2
268.26355	24.2
269.26614	1.2
286.27408	100.0
287.05624	0.5
287.27762	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	286.3107
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05503	0.6
57.07080	13.4
58.06612	2.2
58.07410	0.4
62.06094	8.3
65.03933	0.4
65.40943	0.3
67.05493	0.5
69.07056	0.4
69.13525	0.7
69.13948	1.1
71.08275	0.4
71.08636	6.1
72.08146	0.8
79.05504	3.5
79.37730	0.3
81.07057	0.4
85.10177	2.2
87.04420	0.5
87.75525	0.3
90.09213	0.4
91.05487	7.4
92.05806	0.5
93.07055	2.6
95.04965	0.8
103.05470	2.3
105.07036	12.0
107.04953	0.5
107.08630	1.7
109.06551	2.1
119.06068	1.5
120.05721	1.2
121.06512	16.6
121.10152	0.9
122.07266	1.4
135.08063	35.0
137.05951	0.4
137.09636	4.9
149.09613	0.8
151.07526	1.1
152.08102	0.7
163.07512	0.4
164.08357	1.7
165.09123	47.1
166.09480	2.3
178.09698	0.3
179.10652	5.1
201.94966	0.3
251.20128	0.5
254.08919	0.5
254.12727	0.5
255.13708	0.5
268.30008	4.6
282.38937	0.3
286.11972	0.6
286.15515	7.0
286.31052	100.0
287.16373	3.6
287.31381	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
65.03925	0.2
67.01857	0.4
67.05513	0.3
68.99780	1.7
69.07080	0.4
70.06573	0.3
79.05482	0.5
81.03436	0.3
81.07064	0.4
83.01317	0.2
86.09723	0.3
91.05428	0.2
95.08602	0.3
97.02847	0.3
103.05439	0.2
105.03392	0.9
105.07030	0.2
107.04954	0.8
109.02858	0.6
110.09731	0.2
111.00815	1.7
111.04446	0.2
111.90265	0.2
114.29619	0.2
121.02870	5.4
121.03784	0.3
129.07008	0.3
133.02870	1.2
135.04437	0.5
137.02338	2.2
145.06464	0.7
147.04395	1.1
149.49962	0.2
153.01826	9.8
157.06500	1.1
165.01848	2.8
169.06319	0.2
171.04437	0.5
183.02908	1.7
185.05957	0.9
213.05455	2.6
231.06517	0.9
241.04919	1.7
243.06752	0.3
245.04329	0.2
258.05228	1.8
259.06067	0.7
269.04520	0.5
287.05493	100.0
288.05835	4.2
295.92108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05513	0.1
55.36499	0.1
58.97344	0.1
59.12136	0.1
65.03938	0.2
67.01855	0.4
67.05512	0.1
68.99786	1.8
69.03435	0.2
69.07058	0.1
69.77773	0.4
70.06590	0.1
76.76964	0.1
78.21318	0.1
79.05497	0.8
81.03416	0.2
93.07024	0.2
95.04958	0.2
95.08634	0.1
95.97863	0.1
97.02866	0.2
103.05453	0.2
105.03397	0.8
107.04957	1.1
107.08571	0.1
109.02878	0.6
109.10152	0.2
111.00804	1.5
111.04447	0.3
115.05457	0.1
117.07017	0.1
119.08599	0.1
121.02865	5.9
121.03815	0.3
121.06503	0.1
122.03198	0.1
123.11734	0.1
127.03859	0.2
129.06999	0.3
133.02844	0.8
135.04398	0.4
137.02350	2.1
141.06870	0.2
143.85443	0.1
145.06505	0.6
147.04388	1.2
151.03870	0.1
153.01826	9.4
154.02179	0.1
155.06056	0.2
155.57370	0.1
157.06480	1.2
161.06013	0.4
165.01834	3.3
169.06432	0.2
171.04353	0.6
173.05917	0.1
175.07512	0.2
181.01416	0.2
183.02910	1.8
185.05983	1.1
189.05482	0.3
189.43420	0.1
195.04256	0.1
197.05986	0.3
199.03856	0.2
203.03413	0.2
203.07045	0.3
213.05475	3.0
216.04117	0.2
217.05072	0.1
229.04906	0.3
231.06474	1.1
241.04944	1.5
243.06650	0.2
245.04361	0.1
246.10060	0.1
251.19901	0.1
258.05240	2.1
259.06104	0.7
268.63245	0.1
269.04532	0.4
275.65515	0.1
286.17917	0.1
287.05487	100.0
288.05835	3.7
288.15939	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03934	0.1
55.01881	0.1
55.05505	0.1
56.74214	0.1
63.49110	0.1
65.03940	0.4
67.01857	0.3
67.05505	0.1
68.05820	0.1
68.78425	0.0
68.99418	0.1
68.99792	2.2
69.03418	0.2
71.01321	0.1
71.07014	0.1
77.03928	0.1
79.05482	0.6
81.03424	0.6
81.07040	0.1
82.03744	0.2
82.07407	0.0
84.08884	0.1
85.02889	0.1
91.05476	0.2
93.03330	0.1
93.07037	0.1
94.04207	0.1
95.01340	0.1
95.04984	0.4
95.08626	0.1
97.02899	0.1
98.23602	0.1
103.05460	0.2
105.03394	0.9
105.04505	0.1
105.07059	0.1
107.04951	1.2
107.05666	0.1
109.02884	0.7
111.00805	1.6
111.04438	0.3
115.05435	0.2
117.07011	0.2
119.04927	0.1
121.02869	7.0
121.03915	0.4
121.06524	0.1
122.03176	0.1
122.06015	0.1
125.02302	0.1
127.03912	0.2
128.06227	0.1
129.07034	0.3
131.04953	0.1
133.02843	1.0
135.04436	0.4
136.01559	0.1
136.07570	1.6
137.02344	2.3
139.05492	0.1
141.06966	0.3
145.02840	0.1
145.06502	0.5
147.03285	0.1
147.04408	1.5
147.08101	0.1
152.07045	0.1
153.01828	10.9
154.02182	0.2
155.06068	0.1
157.06487	1.6
160.05209	0.1
161.02277	0.1
161.05943	0.5
163.03989	0.1
164.07062	1.1
165.01839	4.0
166.02422	0.1
167.04976	0.1
169.06424	0.1
171.04399	0.7
173.05937	0.1
175.03894	0.1
175.07523	0.1
179.03401	0.1
183.02905	1.6
184.05151	0.1
185.05981	1.0
189.05461	0.3
193.01274	0.1
194.02141	0.1
194.12575	0.2
197.06001	0.3
199.03922	0.2
201.05501	0.1
203.03383	0.2
203.07010	0.3
213.05461	3.4
214.05927	0.1
216.04213	0.1
217.04982	0.2
229.04865	0.4
231.06512	1.3
241.04951	1.6
241.07298	0.1
242.05678	0.2
243.06564	0.2
245.04395	0.1
257.04620	0.1
258.05234	2.5
259.05988	0.9
269.04449	0.3
286.04733	0.1
286.17285	0.1
287.05493	100.0
288.05823	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99200	0.6
55.05494	0.7
55.88732	0.5
59.02672	0.6
60.05643	1.3
62.59836	0.6
69.07061	1.5
70.06593	7.0
70.38554	1.1
71.06906	0.7
72.08144	2.6
82.99902	2.7
84.08148	4.1
86.09707	2.0
91.05489	1.3
96.80486	0.6
98.98444	1.5
101.00880	21.2
102.00989	0.9
110.07162	2.2
111.11732	0.9
112.08721	0.9
115.05466	1.0
116.07091	1.3
117.05800	3.0
118.06544	2.3
119.01919	100.0
120.02000	3.5
127.12283	0.7
130.03505	2.7
130.06537	10.6
132.08087	41.2
133.08446	0.8
137.02956	38.4
138.03114	1.0
142.03523	1.3
142.06519	2.2
143.11789	0.8
148.04573	0.7
150.90495	0.6
156.01369	0.7
158.09329	0.6
163.43724	0.6
170.06024	6.1
174.02509	1.0
174.09621	0.7
175.11861	1.8
193.10789	0.8
202.07111	2.8
205.89038	0.6
218.06635	5.3
220.08171	4.3
221.24533	0.7
226.07043	4.4
230.06612	0.7
233.31573	0.6
242.06760	4.1
243.06985	0.6
244.08192	37.5
245.08409	2.2
260.07712	4.1
262.09232	6.3
269.07742	0.8
270.06110	41.7
271.06418	2.9
280.65588	0.6
287.08633	15.1
287.14001	1.0
288.07132	40.0
288.20334	3.5
289.07315	2.2
300.24384	0.6
300.28403	0.6
305.09814	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	287.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
58.99846	0.6
61.90961	0.3
63.00050	0.3
69.71649	1.1
70.06596	0.8
72.08147	0.5
84.08130	0.6
95.06083	0.7
98.97567	0.9
110.07155	1.9
111.07484	0.7
118.25109	0.4
130.93291	0.6
143.00166	1.0
143.01938	0.7
145.03461	4.5
148.75172	0.4
156.03284	0.5
161.01268	0.6
161.02995	0.7
163.04529	2.0
163.12390	0.4
164.12709	0.7
166.38106	0.4
172.94347	1.1
173.01221	1.1
173.02859	0.4
186.04277	0.5
189.00708	1.8
190.95413	1.0
191.02280	0.9
191.03999	1.2
192.19215	0.4
204.05455	0.5
207.01761	2.1
209.36807	0.3
228.05354	0.6
241.05525	0.5
242.98596	0.9
259.06522	0.6
264.02713	0.4
286.97510	1.9
287.05905	3.6
287.11011	100.0
288.06387	0.5
288.11411	2.8
304.98575	3.5
305.07162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1278
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
55.01884	0.9
55.38249	0.4
59.04999	1.4
67.05477	0.5
69.03439	0.5
70.44270	0.7
79.05479	0.7
81.07068	0.5
84.48902	0.4
85.02881	0.5
91.05452	1.0
93.07050	0.7
103.81549	0.5
105.07023	0.6
121.06496	2.9
131.04990	0.6
133.92989	0.4
135.08081	1.2
137.05972	1.2
141.07010	0.5
144.24931	0.4
149.05981	0.5
151.07631	0.6
152.06215	0.7
153.06956	0.6
155.08691	0.5
158.07349	0.5
161.06038	0.5
162.12762	0.6
165.07019	1.6
166.07722	2.3
167.08540	3.6
168.09409	0.6
169.06477	1.5
171.08046	2.0
177.06976	3.2
178.07809	2.6
179.08559	4.9
181.06471	2.3
181.10056	0.7
182.07344	1.1
183.08034	3.5
184.08835	1.7
185.09721	1.0
187.07503	0.7
187.11131	0.6
194.07253	9.4
195.08047	16.2
196.08784	3.8
197.05971	4.5
197.09593	1.8
198.06845	0.8
198.10406	1.9
199.07524	1.0
199.11153	1.6
205.06430	1.0
206.07214	0.8
207.07996	1.0
208.08798	1.7
209.06238	0.9
209.09615	20.0
210.06804	1.0
210.10236	4.1
211.07532	11.1
211.10989	2.5
212.08321	12.2
213.09053	1.7
221.05902	0.8
222.06749	1.8
223.07558	7.6
224.08345	6.9
225.05489	2.1
225.09084	3.0
226.06403	0.7
226.09875	11.9
227.07034	1.0
227.10657	26.7
228.11165	1.2
229.08644	1.3
237.09091	5.6
238.09853	6.7
239.07030	7.2
239.10631	1.8
239.78653	0.4
240.07791	13.4
241.08585	3.6
241.12219	23.9
242.12549	0.9
244.10944	0.5
252.11501	1.2
253.08553	2.6
254.09381	12.3
255.10150	64.5
256.10776	7.6
257.08096	4.3
259.13251	1.3
267.10162	0.6
269.11716	53.5
270.11938	2.7
271.09573	0.6
272.07608	0.8
272.10406	8.2
273.10745	0.5
287.12750	100.0
288.13065	4.8
288.15939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1279
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
55.05506	0.7
55.79741	0.5
57.07070	1.9
60.04522	1.4
65.03931	2.1
67.05505	1.1
67.74872	0.5
69.07079	0.5
70.06583	1.7
70.53648	0.7
71.08636	1.2
77.03930	0.7
79.05487	1.8
81.07058	0.6
85.10226	0.5
88.07617	2.0
91.05481	41.5
92.05802	0.7
93.07050	13.1
95.04974	2.1
97.06561	0.5
103.05473	0.8
105.07032	3.0
106.04177	0.7
106.08670	2.2
107.04972	3.2
109.06523	14.1
111.04455	0.9
115.05438	0.6
117.07035	0.8
119.05082	0.7
119.06068	8.8
120.05745	0.6
121.06507	100.0
122.06860	1.7
123.04441	1.7
123.08092	1.3
124.05205	0.7
125.05998	11.6
133.06517	1.5
135.08055	31.6
136.08382	1.1
137.05986	2.2
139.03902	1.5
139.07507	0.6
145.06476	4.4
146.07196	0.5
147.04391	0.6
147.08035	1.2
149.05971	1.2
149.09589	0.8
151.07512	3.0
153.05469	24.1
154.05817	0.6
159.08061	0.6
161.06001	2.8
161.09605	3.0
165.05473	1.8
165.06865	0.7
166.07788	1.1
171.08064	1.0
177.06914	0.8
178.07726	1.1
179.07053	2.2
179.08492	0.7
181.06447	0.8
183.08046	2.0
184.05293	0.5
194.07280	2.6
195.08073	1.9
199.07364	0.7
203.11093	0.5
208.08783	0.7
209.09630	7.5
210.10402	1.8
211.07549	3.8
213.09045	1.3
213.12694	0.5
225.09091	0.5
226.09920	3.9
227.10669	1.5
237.09087	2.3
238.09911	1.2
239.06978	1.7
240.07610	0.7
241.08549	1.1
241.12227	15.0
254.09369	4.4
255.10098	2.2
259.09735	1.7
259.13284	1.5
268.26520	0.6
269.11731	27.7
269.26590	1.3
270.12039	1.6
286.27432	4.4
287.09155	2.2
287.12790	11.6
287.27780	8.3
288.13034	1.0
288.16006	1.2
288.28961	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	287.1281
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
57.07080	3.1
62.06095	1.7
65.03937	2.4
67.05487	1.1
69.03450	1.6
71.08643	1.0
72.08150	3.6
78.79242	0.9
79.05467	1.3
80.11255	1.0
82.94542	1.0
90.09193	2.0
91.05483	39.0
93.07051	14.0
93.26321	1.0
95.04955	1.1
105.07058	3.4
107.04974	3.2
109.06523	10.5
109.96681	1.1
119.05212	1.3
119.06055	9.2
120.74202	0.9
121.06512	100.0
122.06846	1.4
123.04414	1.7
125.05984	8.9
129.07065	1.0
133.06497	2.5
135.08055	29.4
135.09068	1.6
137.05988	2.7
139.03911	2.2
145.06487	4.1
149.05966	1.5
151.07567	4.3
153.05490	24.3
161.05992	2.9
161.09653	1.5
165.05536	1.9
166.07748	1.4
174.18625	1.1
175.18813	1.0
177.06822	1.5
178.07736	1.3
179.07108	2.4
179.08522	1.0
183.08006	1.7
190.12334	1.3
194.07254	3.3
195.08015	3.8
196.08878	1.9
203.12761	0.9
208.08916	1.0
209.09636	6.2
210.10225	1.2
211.07561	2.9
212.23720	1.3
226.09908	3.8
227.10663	4.3
229.08688	1.5
230.24730	5.3
231.25067	2.9
237.09143	2.5
238.09935	1.2
239.07091	2.1
240.07858	1.1
241.12236	16.5
254.09303	3.1
255.10144	7.3
257.08127	3.4
259.13345	2.8
269.11703	23.0
270.12021	1.7
272.10376	3.3
286.31067	30.0
287.05621	1.5
287.12766	27.6
287.28174	2.2
287.31378	21.5
288.13089	1.7
288.15936	1.5
288.29126	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	287.128
Annotation	4-Hydroxy-2,6,7-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01883	1.4
55.05485	0.8
57.07061	3.4
60.04502	1.5
67.05497	1.3
69.07063	1.3
69.93095	2.9
70.06576	3.3
71.08655	1.3
77.50386	1.0
81.07054	1.1
87.04464	1.2
88.07619	5.2
91.05458	1.2
106.08658	2.5
121.06494	3.5
135.08043	2.6
137.05956	1.7
153.07065	1.1
155.52655	0.9
157.06349	0.9
161.05849	1.1
162.12857	1.4
165.06992	1.4
166.07825	1.1
167.08539	3.0
169.06412	2.1
171.08089	2.8
177.06863	3.0
178.07788	2.4
179.08562	4.1
181.06516	1.2
183.08028	3.4
184.08804	2.3
194.07233	4.9
195.08080	13.0
196.08783	3.8
197.06017	3.9
197.09636	2.0
199.11121	2.8
208.08832	1.2
209.09619	12.9
210.06784	2.0
210.10387	2.2
211.07558	5.8
212.08371	16.3
213.08937	1.5
219.08113	1.0
222.06648	1.0
223.07545	6.6
224.08261	6.3
225.05499	1.2
225.09019	3.3
226.10010	5.3
227.07176	1.4
227.10655	29.3
228.11058	1.3
229.08545	2.3
237.09007	6.1
238.09976	5.5
239.07047	5.1
239.10657	1.4
240.07823	14.8
241.08502	3.7
241.12207	7.9
253.08640	2.4
254.09404	7.2
255.10153	100.0
256.10629	9.1
257.08017	3.8
269.11749	24.2
269.26776	2.3
271.06805	1.1
272.10422	10.0
286.27347	4.7
287.12759	82.4
287.27701	9.9
288.13120	4.3
288.15979	2.1
288.28940	22.2
301.22394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82457	1.0
55.01867	2.4
55.05513	3.6
56.05030	5.0
58.06583	1.2
58.54733	1.0
60.04528	1.4
63.00026	1.6
67.05162	1.6
67.05505	23.4
68.05022	2.7
68.99777	1.0
69.03426	2.1
69.07057	6.6
70.02951	14.1
70.06593	15.5
71.04991	2.7
71.06920	3.2
72.08159	2.0
73.02918	2.1
79.05502	5.6
80.05011	3.6
81.07047	5.8
82.06570	3.3
83.04983	1.5
83.08580	1.2
84.04496	2.8
84.08133	3.8
85.02879	1.1
86.02428	0.9
86.06056	1.0
86.09696	4.3
87.04461	3.3
87.05592	17.2
88.03981	4.5
91.05477	6.3
93.07048	7.2
94.06590	1.7
95.08610	11.9
96.04500	7.5
96.08125	3.7
97.06487	1.4
98.06052	2.6
98.09678	1.0
98.23444	2.2
99.00822	1.7
100.03962	2.4
101.06017	1.8
105.07022	1.8
107.08578	3.4
108.04477	16.8
108.08125	1.6
109.05268	1.3
109.10160	22.0
110.05984	1.5
110.09686	1.6
110.10481	1.0
111.11718	1.2
113.05996	1.4
114.05524	1.4
116.07094	2.6
118.12635	1.2
119.08579	6.7
122.06010	3.2
124.11254	1.7
125.09651	1.2
126.05521	2.1
127.08706	2.4
128.09048	1.4
134.09662	1.5
135.08099	4.8
136.07564	5.3
136.11237	12.7
137.05988	1.1
137.09612	19.2
138.12790	2.3
142.34520	1.1
147.04420	1.2
152.10686	2.7
152.14352	1.6
154.04971	4.5
154.12260	13.9
155.08090	1.5
155.10696	1.6
156.08504	2.4
162.12793	2.2
164.10695	10.9
166.12296	4.4
172.13324	19.3
173.11760	4.2
175.03909	1.8
178.12294	12.9
180.13843	28.0
181.14204	1.4
182.11790	12.9
184.13309	6.0
187.11171	1.5
188.10696	7.7
192.10185	1.2
196.13289	1.4
198.14891	2.3
203.03429	3.5
206.11766	54.5
207.12036	1.6
208.13362	1.4
210.11308	7.2
223.14407	3.8
224.12825	50.0
225.13199	1.6
226.14363	1.3
228.12241	4.1
233.11688	3.0
234.11258	1.1
241.15456	17.9
242.13904	13.5
243.14331	1.1
243.17009	2.3
245.04500	2.3
251.12686	1.7
252.12379	4.3
259.34674	1.0
269.14920	3.3
270.13425	2.6
270.16934	4.7
287.05511	9.9
287.16003	100.0
287.20578	3.2
288.18396	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	287.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.05501	0.5
57.07074	3.1
58.06590	0.6
58.07401	0.5
62.06087	2.1
65.03952	0.4
69.07059	0.7
69.15744	1.0
69.16145	0.5
70.15913	0.2
71.08628	2.2
72.08161	0.6
72.08970	0.4
77.03919	0.6
79.05043	0.4
79.05492	8.7
80.05801	0.3
85.10168	0.7
91.05479	3.1
91.30201	0.2
92.05801	0.4
93.07033	1.1
95.04954	1.3
97.10115	0.3
103.05465	5.7
105.04515	0.9
105.07028	35.9
106.07352	0.7
107.04944	0.4
107.08602	1.0
109.06516	0.8
116.06213	0.3
117.06941	0.4
119.05030	0.2
119.06023	0.6
119.08581	1.0
120.05720	4.1
121.06518	4.6
121.10151	2.4
122.06825	1.4
123.08067	0.5
131.08591	0.8
131.49675	0.3
134.07280	0.3
135.08049	100.0
136.08344	2.2
137.05939	0.3
137.09610	0.6
138.09949	0.5
147.08049	0.8
149.05890	0.6
149.09647	2.5
151.07603	0.4
151.11200	0.3
164.08333	4.6
165.09131	5.1
166.09436	6.4
167.09608	0.3
174.16220	0.3
179.10666	13.6
180.10974	0.5
255.09923	0.3
268.29965	2.3
269.30371	1.8
280.71857	0.2
286.31039	16.7
287.13049	0.6
287.16351	8.4
287.31366	12.9
288.16193	0.4
288.28854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1594
Annotation	Cocculitinine
Peak:m/z	Relative Intensity
55.01875	0.9
67.05501	4.2
69.03432	2.0
69.62187	3.2
71.05006	1.4
79.05486	0.9
79.09518	0.8
80.05018	13.2
82.75314	0.7
84.08150	0.9
87.04478	1.3
91.05485	2.4
93.07056	2.4
94.06564	5.3
95.08606	8.8
97.02927	0.8
98.23439	1.5
99.04458	10.3
105.07022	0.9
106.06562	3.4
109.06509	1.1
120.08105	42.5
121.06492	7.9
127.03908	2.8
132.08083	10.5
133.08893	5.5
134.09654	5.9
135.08060	2.4
137.06015	1.1
144.08102	3.7
146.09642	1.8
148.07568	3.3
148.11203	1.0
150.06769	1.1
151.07523	4.6
157.08849	1.1
158.09648	0.9
160.11288	1.5
162.12781	100.0
163.13155	3.6
172.11201	18.7
188.10739	1.4
190.12267	85.3
191.12666	3.0
198.09227	0.8
201.59087	0.8
214.12292	1.9
226.15804	0.8
242.15384	0.9
256.13300	11.8
270.14944	1.2
271.13101	1.1
288.12408	8.2
288.15897	67.1
288.25272	2.9
289.16214	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1595
Annotation	Zephyramine
Peak:m/z	Relative Intensity
54.05960	0.3
60.28270	0.3
61.29400	0.3
66.17958	0.3
67.05505	0.6
69.03441	0.4
69.64899	1.2
70.06582	0.6
79.05463	0.4
81.07040	0.4
82.06601	0.4
83.04967	0.3
84.08148	2.1
91.05461	0.5
93.07040	0.4
94.06581	0.4
95.08609	0.6
107.07327	0.5
108.08130	2.5
110.09682	0.6
119.08505	0.4
120.08105	0.8
121.08926	0.5
122.09660	3.4
123.10466	2.5
124.11238	0.8
129.03845	0.3
134.09651	3.3
135.10455	1.6
136.11212	83.6
137.11549	1.8
142.12239	0.3
148.11272	0.6
149.12006	1.3
162.12750	0.5
163.13612	0.9
164.10672	0.8
164.14352	21.9
165.14717	0.4
168.19637	0.3
176.10632	0.4
217.08594	1.4
232.13271	0.6
232.16893	0.4
235.41142	0.3
260.16467	4.4
269.55124	0.3
270.14722	0.3
273.13477	0.5
288.15924	100.0
289.16232	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	288.1595
Annotation	Ritodrine
Peak:m/z	Relative Intensity
56.05031	0.4
56.48872	0.2
57.02821	0.3
57.43041	0.2
66.74420	0.3
67.05508	0.6
67.28892	0.3
69.03426	1.1
69.48788	0.4
69.49166	0.5
70.06579	1.1
80.05004	0.5
81.07050	0.4
82.06569	0.4
84.08141	0.5
86.09669	0.2
87.04504	0.2
91.05505	0.3
93.07042	0.6
94.06571	0.3
95.04961	0.6
95.08599	0.5
96.08130	0.6
98.06083	0.2
98.09698	0.3
105.07020	0.7
106.06519	0.3
106.08644	0.3
107.07346	0.3
107.08658	0.2
108.08103	0.3
110.09736	0.3
117.06973	0.3
119.08591	0.4
120.08096	1.5
121.06476	0.4
122.09664	0.6
123.04453	0.4
124.11196	0.5
131.08510	0.4
132.08096	0.5
133.08917	0.4
134.09674	2.0
135.10439	2.4
136.11223	1.0
142.07771	0.3
143.08554	0.3
146.09686	0.4
148.07516	0.5
148.11221	1.6
150.09091	0.4
160.11227	0.9
161.11832	0.3
162.12788	5.2
163.09938	0.5
163.11400	0.3
163.13564	6.9
164.10713	0.3
172.11241	0.7
173.12006	0.5
174.12761	2.0
175.13573	3.6
176.10670	1.4
178.08617	1.3
184.11273	0.3
186.12776	1.0
188.10727	0.7
189.11473	1.6
190.12277	3.5
191.13065	8.8
192.13521	0.3
199.11230	0.3
199.13672	0.3
200.10771	0.4
200.14301	0.3
201.09021	0.4
202.12305	0.5
203.13033	0.3
203.90456	0.3
204.13838	0.3
214.12236	0.4
214.15895	1.1
227.13104	0.8
228.10236	0.3
232.13321	0.7
232.16960	2.2
242.15419	1.9
244.16937	2.3
245.17160	0.3
254.11766	0.6
255.12529	2.1
260.16458	9.0
261.16772	0.4
270.14886	7.1
271.15259	0.4
288.15927	100.0
289.16241	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	288.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.49834	0.6
55.01873	2.7
55.05513	13.5
67.05502	1.1
69.03420	10.0
69.07062	3.1
70.06590	5.9
71.04987	0.7
71.44741	0.6
72.08152	4.3
79.05490	2.6
81.03442	0.9
81.07071	4.4
83.04974	14.9
83.05435	1.0
83.08617	1.7
84.08140	1.0
84.51902	0.6
85.02915	1.0
86.09721	1.0
87.04473	11.3
91.05468	1.7
95.05004	0.8
97.02879	0.6
97.06532	3.7
97.10170	2.9
99.04475	1.4
100.07606	3.2
107.08591	2.8
109.02869	1.5
111.08118	1.6
115.03942	1.1
117.41436	0.6
118.08653	5.5
119.01949	0.6
120.24079	0.7
121.91570	0.6
125.05994	7.5
125.09627	58.9
126.09945	0.8
127.03934	3.6
128.31053	0.6
135.08067	0.8
143.11803	1.7
153.09103	40.8
154.09496	0.7
156.10204	0.8
156.13889	0.6
163.90164	0.6
171.10153	9.1
171.11404	0.7
175.11949	1.0
176.37424	0.6
184.13371	1.1
202.08658	0.7
202.14398	0.9
242.17638	2.0
270.16916	2.9
277.32980	0.7
288.18118	100.0
289.18561	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	288.2032
Annotation	Arg Leu
Peak:m/z	Relative Intensity
56.96553	0.8
60.05359	1.0
60.05650	17.4
68.59328	0.6
69.07056	0.9
69.82610	1.2
69.82997	1.2
70.06592	78.8
71.04973	1.2
71.06909	0.9
71.28706	0.6
72.08157	12.8
84.08133	3.2
86.09709	16.8
87.05627	0.7
88.07626	1.0
97.07637	1.0
98.06054	2.4
98.97601	1.7
110.07203	0.8
112.08725	8.9
115.08680	2.8
116.07094	8.1
129.37941	0.6
130.08707	0.8
130.09749	2.5
140.08136	1.6
156.11324	2.9
157.10884	2.0
158.09230	4.9
166.12201	0.8
175.11906	27.8
208.14474	0.9
212.12820	1.3
225.17026	1.8
226.09389	0.7
226.15546	0.7
228.17076	2.4
229.15459	5.7
248.08073	1.4
253.16658	0.8
271.17642	8.9
288.20294	100.0
289.20609	3.3
306.12405	0.8
307.93701	0.7
309.49707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17184	2.3
56.96564	45.6
62.99811	2.3
68.57360	2.3
69.03398	2.4
70.06590	8.0
70.25094	4.6
76.56073	1.9
84.08137	8.7
85.02905	3.2
86.09699	7.5
98.97588	100.0
101.00909	5.2
110.97565	3.4
116.98616	50.2
119.01912	14.4
124.99149	2.4
127.03907	7.4
127.04955	3.5
127.08683	6.3
128.98628	2.7
130.93321	5.5
131.00192	2.2
131.13623	1.8
133.03468	4.7
134.99675	15.4
136.17397	2.1
137.02965	2.1
142.05336	2.6
143.00146	4.0
143.33386	1.9
145.03465	2.8
147.03229	8.0
153.00746	3.0
155.00220	3.6
158.04916	2.6
160.06459	2.3
161.01236	3.0
161.02934	5.8
165.04329	3.0
170.99666	2.3
172.94290	15.1
173.01205	5.4
174.97742	2.2
174.99094	3.1
187.00940	3.8
189.00740	5.6
189.04379	6.4
190.95384	7.8
190.96970	2.4
191.02312	3.8
191.03952	3.1
193.00172	3.1
193.03780	4.2
196.99210	2.2
205.01949	2.4
206.06918	3.4
207.01811	6.2
207.05411	4.2
208.96419	3.3
215.00345	3.7
216.96886	4.8
217.01978	3.6
224.08070	5.3
230.07016	21.2
232.96361	3.0
242.98460	6.4
244.98598	2.3
246.98125	5.4
248.08070	44.8
256.96548	3.5
258.99750	4.7
260.99536	2.8
263.02881	3.4
264.99237	2.4
274.97427	10.4
277.00818	6.6
286.60913	2.2
287.05103	5.4
288.20346	4.1
289.00854	8.4
289.06430	39.7
289.09253	8.2
292.98624	7.0
296.05777	5.5
306.99976	2.7
307.07471	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	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17184	2.3
56.96564	45.6
62.99811	2.3
68.57360	2.3
69.03398	2.4
70.06590	8.0
70.25094	4.6
76.56073	1.9
84.08137	8.7
85.02905	3.2
86.09699	7.5
98.97588	100.0
101.00909	5.2
110.97565	3.4
116.98616	50.2
119.01912	14.4
124.99149	2.4
127.03907	7.4
127.04955	3.5
127.08683	6.3
128.98628	2.7
130.93321	5.5
131.00192	2.2
131.13623	1.8
133.03468	4.7
134.99675	15.4
136.17397	2.1
137.02965	2.1
142.05336	2.6
143.00146	4.0
143.33386	1.9
145.03465	2.8
147.03229	8.0
153.00746	3.0
155.00220	3.6
158.04916	2.6
160.06459	2.3
161.01236	3.0
161.02934	5.8
165.04329	3.0
170.99666	2.3
172.94290	15.1
173.01205	5.4
174.97742	2.2
174.99094	3.1
187.00940	3.8
189.00740	5.6
189.04379	6.4
190.95384	7.8
190.96970	2.4
191.02312	3.8
191.03952	3.1
193.00172	3.1
193.03780	4.2
196.99210	2.2
205.01949	2.4
206.06918	3.4
207.01811	6.2
207.05411	4.2
208.96419	3.3
215.00345	3.7
216.96886	4.8
217.01978	3.6
224.08070	5.3
230.07016	21.2
232.96361	3.0
242.98460	6.4
244.98598	2.3
246.98125	5.4
248.08070	44.8
256.96548	3.5
258.99750	4.7
260.99536	2.8
263.02881	3.4
264.99237	2.4
274.97427	10.4
277.00818	6.6
286.60913	2.2
287.05103	5.4
288.20346	4.1
289.00854	8.4
289.06430	39.7
289.09253	8.2
292.98624	7.0
296.05777	5.5
306.99976	2.7
307.07471	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
63.67593	0.6
65.03924	1.6
67.01851	1.1
68.99788	4.6
70.35577	1.3
70.35900	1.0
79.98847	0.6
81.03381	0.7
82.20206	0.6
84.08117	0.8
91.05480	4.6
93.03402	0.9
95.04956	0.9
107.04253	1.2
107.04953	21.1
109.08893	0.6
111.04441	2.0
119.04915	3.1
121.02875	8.6
123.04427	8.3
127.03926	4.4
129.06964	0.8
131.04893	1.4
131.08524	1.2
135.04413	6.4
139.03914	3.5
141.06978	2.6
145.02869	1.5
145.06505	1.4
147.04401	1.7
147.08037	1.6
149.02342	64.4
150.02715	2.0
151.03894	1.3
153.01828	13.4
159.04436	1.6
159.08003	1.0
163.03848	2.3
167.03249	0.8
169.06493	6.9
173.05905	0.9
181.06474	1.3
183.04358	1.0
185.05983	1.3
187.03943	1.1
187.07532	1.9
197.05968	8.5
201.05402	0.7
213.05614	0.6
215.07031	74.6
216.07347	2.4
225.05492	1.5
237.48294	0.6
242.32756	0.6
243.06528	100.0
244.06888	3.7
253.04988	2.3
271.06003	38.1
272.06326	1.9
289.07047	2.3
289.16177	1.0
290.17474	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	289.0708
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02380	0.6
53.03939	0.9
53.34479	0.3
53.52325	0.3
55.01881	2.2
58.42834	0.3
65.03944	1.9
67.01869	0.3
67.05508	4.7
68.99790	3.8
69.03433	0.3
69.47070	1.0
69.47449	0.7
70.06602	0.5
71.01322	0.3
72.08139	0.5
75.05599	0.3
76.02849	0.4
77.03932	1.3
79.05496	1.9
81.03416	0.4
81.07043	0.4
83.01341	1.0
83.04987	0.9
85.02917	0.4
86.09705	1.7
87.10057	0.6
89.03905	2.3
91.05467	1.1
93.03397	2.7
93.07038	0.7
95.04971	8.1
103.05472	1.5
105.03407	2.4
105.04530	0.5
105.07026	1.0
107.04964	1.4
109.02878	0.4
111.00809	1.8
111.04449	3.7
113.02405	0.4
115.05472	0.7
117.03389	3.0
119.04923	1.0
121.02875	0.9
121.06480	0.6
121.10145	0.5
123.04431	100.0
124.04778	2.2
127.03918	2.8
129.01794	0.3
129.07019	0.7
131.04929	3.6
133.06480	0.7
135.04420	13.4
135.82658	0.4
137.02342	0.7
137.06018	0.4
137.96034	0.3
139.03902	34.3
140.04245	0.6
141.06989	1.3
143.11806	1.3
144.12184	0.4
145.02876	3.3
145.06519	0.6
149.02370	1.2
149.06004	2.2
151.03905	8.6
151.05060	0.7
153.01814	0.6
153.07010	0.4
155.04895	0.4
157.06497	0.7
159.04424	7.1
160.04762	0.4
161.05978	1.3
163.03906	23.3
164.04285	0.8
167.03442	0.5
169.06526	0.9
173.05988	1.0
177.05475	3.3
179.03412	0.9
185.06004	1.4
187.03870	4.7
187.05336	0.4
188.11392	0.3
197.06029	2.3
199.03937	0.4
201.05487	1.5
203.07021	0.4
205.04991	3.4
211.03925	0.5
213.05440	0.4
215.06982	1.7
225.05396	1.6
229.04958	1.2
231.06488	0.7
243.06552	2.6
245.04439	1.6
253.05034	0.9
259.06049	0.8
261.07733	0.9
271.06100	2.4
272.27890	0.3
289.07071	15.7
289.16266	0.7
290.07367	0.5
290.17520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1072
Annotation	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
Peak:m/z	Relative Intensity
51.92484	0.6
53.29068	0.6
54.26514	0.6
57.03423	0.7
57.07080	0.7
65.03931	2.4
67.05511	1.6
69.03422	0.9
70.05435	1.5
70.06585	1.6
79.05486	1.7
81.03419	2.0
81.07064	1.5
84.08141	6.6
91.05481	40.5
92.05790	1.4
93.07052	17.2
95.04951	1.6
95.08598	3.3
96.08136	10.2
97.02902	1.0
97.08921	2.8
99.04445	1.7
102.13368	0.9
105.04500	0.8
105.07037	0.8
106.04185	1.0
107.04968	3.0
107.26204	0.7
109.02869	1.3
109.06518	13.4
110.09676	2.2
119.06075	9.4
121.06509	100.0
122.06841	1.8
123.08074	1.2
127.03961	3.4
135.08121	1.3
137.05942	1.0
137.11940	1.1
138.12793	2.8
139.13554	1.7
151.07539	6.1
164.14374	2.7
179.69556	0.7
181.04967	0.8
190.12189	1.0
289.10712	63.3
289.16214	3.1
290.11200	3.5
290.17560	6.1
290.21097	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
56.96568	0.7
66.64066	0.4
69.03427	1.4
69.80568	1.4
71.04985	0.5
81.03420	0.7
81.07066	0.7
84.08166	0.4
85.02896	2.7
86.09734	0.6
97.02872	1.2
99.04476	0.6
109.02864	1.1
113.05984	0.4
127.03921	41.5
128.04222	0.9
138.00813	0.4
145.04977	0.5
147.03148	0.8
173.12817	0.6
207.01848	0.4
209.08080	0.7
263.39670	0.5
289.12573	100.0
290.12891	3.2
307.07053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1435
Annotation	Stilbostemin G
Peak:m/z	Relative Intensity
55.01887	0.3
55.05524	0.5
57.03447	0.8
58.57935	0.2
62.31118	0.3
67.05506	2.5
68.99807	0.7
69.03426	1.4
69.79507	0.7
69.79855	0.5
71.05009	0.3
77.03936	0.5
78.57466	0.2
79.05494	5.0
81.03445	0.4
81.07053	0.8
83.01353	1.3
84.08144	2.0
85.08495	0.8
90.04747	0.2
91.05484	3.9
93.07066	1.0
95.04945	1.7
95.08609	6.0
95.09206	0.4
96.08157	0.6
96.08916	0.3
97.02924	0.7
98.23461	0.5
99.04466	0.5
103.05465	3.3
105.04537	0.4
105.07028	12.1
106.07361	0.3
107.04960	0.9
107.08569	0.4
108.05766	1.2
109.02901	0.5
109.06520	1.7
115.05439	0.4
118.04195	0.3
120.05762	0.6
121.06508	5.4
122.41319	0.3
123.04489	0.5
123.08066	9.2
127.03936	1.5
133.06487	8.0
133.07489	0.3
135.04419	4.6
135.08046	1.4
136.05199	0.5
137.05952	3.7
139.07541	1.1
150.06761	26.3
151.07536	100.0
152.07883	2.6
153.09132	0.4
165.09111	24.1
166.09396	0.6
179.08653	0.3
180.09389	0.3
197.09714	0.3
225.09071	1.5
238.53876	0.3
239.10544	0.3
242.09341	0.4
243.04831	0.3
245.17329	0.4
257.11743	5.7
258.11954	0.3
258.14709	0.3
271.12317	0.3
271.15057	0.4
271.72281	0.2
289.14206	11.3
290.14496	0.4
290.17422	3.5
290.21039	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	289.1439
Annotation	Stilbostemin G
Peak:m/z	Relative Intensity
53.03945	0.4
55.01874	0.4
55.05516	0.7
57.03438	0.9
57.07073	0.4
65.03946	0.4
67.05492	2.3
68.99806	0.9
69.03444	1.4
69.74257	0.3
69.74591	0.9
77.03917	0.5
79.05495	5.2
81.03422	0.7
81.07052	1.2
81.96011	0.3
83.01331	1.0
85.02898	0.3
87.65411	0.3
91.05473	5.1
92.05828	0.6
93.07036	1.5
95.04965	1.6
95.08607	5.5
96.05253	0.4
97.02893	0.6
99.04450	0.4
103.05466	2.9
104.47140	0.3
105.04526	0.8
105.07031	11.9
107.04964	2.2
107.08579	0.7
108.05784	0.8
109.02910	0.6
109.06552	2.1
110.06858	0.4
115.05470	0.5
119.04991	0.4
120.05709	0.8
121.05607	0.5
121.06506	9.2
122.06818	1.6
123.04454	0.7
123.08065	9.4
124.08409	0.6
125.05985	0.5
127.03916	1.5
133.06482	6.7
135.04420	3.3
135.05400	0.5
135.08086	2.7
136.05177	4.2
137.05972	7.1
138.06290	3.3
139.03835	0.3
139.07507	1.2
140.07854	0.4
146.70831	0.3
149.07091	0.3
150.06752	25.2
151.07538	100.0
152.07869	7.1
159.08043	0.3
163.07549	0.3
165.09113	25.2
166.09439	0.6
179.08487	0.3
181.06525	0.4
191.12686	0.3
205.08847	0.3
225.09099	1.2
228.23059	0.4
229.08495	0.4
236.80704	0.3
239.10709	0.6
242.09189	0.3
249.10597	0.3
256.10727	0.7
257.11646	6.1
258.12076	1.3
271.09579	0.6
271.13181	1.1
289.10895	0.5
289.14230	13.9
289.17328	0.6
290.14594	0.6
290.17499	1.6
290.26865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.18
Annotation	7alpha-hydroxyestradiol
Peak:m/z	Relative Intensity
50.28700	1.9
55.01866	10.8
55.05512	47.5
55.09604	2.1
57.07086	4.5
59.04993	4.8
60.04516	5.7
67.05503	22.0
69.03405	2.6
69.07063	11.2
70.06592	5.0
72.37177	2.0
79.05495	31.7
81.07055	21.3
83.04993	2.7
83.08620	17.2
85.06550	5.2
88.07628	13.9
91.05485	20.4
93.07047	15.5
95.08604	8.5
95.12499	2.2
97.10171	24.8
105.07035	8.4
106.08688	13.7
107.04935	2.4
107.08565	21.9
109.06525	4.6
109.10155	7.3
115.05461	15.0
117.07015	74.7
119.08572	16.6
121.06448	2.1
121.10147	4.4
123.04456	3.1
125.09629	20.6
128.06204	3.9
129.06985	7.3
131.08546	8.6
133.10135	2.7
135.08041	6.6
135.58067	2.1
141.07007	3.8
142.07791	4.0
143.08568	14.9
145.05324	4.0
145.06477	78.7
145.10165	8.6
147.11612	2.2
153.09137	3.6
155.08548	6.3
157.10139	12.5
159.08037	5.7
159.11705	4.4
161.13194	2.3
169.10155	7.8
173.13260	3.5
183.08044	3.9
183.11684	5.2
187.14815	4.3
189.11206	8.3
197.09610	7.1
225.16388	9.7
235.14752	3.1
242.24619	3.2
243.17563	5.6
243.21033	7.4
253.15874	8.3
271.16916	100.0
271.28265	3.9
272.17450	5.9
289.17914	11.1
289.21576	9.6
289.26013	3.7
289.29224	22.4
290.26953	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	289.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95979	1.4
57.07074	100.0
57.68053	1.2
64.53093	1.3
64.97818	1.8
69.23472	7.4
72.04511	20.6
73.06542	1.9
80.94833	1.8
100.07613	53.2
103.52511	1.3
116.05289	1.6
118.08672	1.9
133.49835	1.7
156.13832	87.3
157.14217	3.0
194.56660	1.3
194.92499	1.9
241.63248	1.3
265.96555	1.7
289.21851	2.5
289.29236	2.9
290.26306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2165
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03941	1.2
55.01868	2.3
55.05302	1.1
55.05516	13.5
57.07070	1.7
59.04998	1.2
64.97824	1.4
67.05509	16.1
69.03442	1.3
69.07067	10.9
69.96836	1.1
69.97160	2.9
71.04991	1.9
73.06548	2.2
79.05500	14.6
81.03417	1.4
81.07067	18.0
83.04994	1.4
83.08627	6.8
84.08086	1.0
84.24718	1.1
85.06544	3.3
91.05486	43.6
93.07049	15.4
94.93500	1.0
95.04967	3.2
95.08615	15.2
97.06509	1.2
97.10226	1.0
98.23431	1.2
103.05460	1.9
105.07036	56.9
107.08604	8.3
109.06452	1.6
109.10184	5.0
117.07029	11.4
119.08588	48.4
121.06543	1.2
121.10139	6.1
123.08062	1.6
127.03885	2.1
129.07014	2.8
130.07753	1.2
131.08577	15.1
132.09340	1.2
133.10139	31.5
135.08083	2.3
135.11688	2.2
141.06953	1.0
143.08551	3.4
145.10133	17.5
147.11700	28.5
149.09589	1.4
151.07564	1.6
155.08612	1.2
157.10147	5.3
159.11717	15.2
161.09654	1.9
161.13261	10.0
169.10115	3.1
171.11694	4.8
173.13255	10.2
175.11128	1.6
175.14793	2.4
181.12332	1.3
183.11673	3.8
185.13206	1.3
187.11185	1.3
191.14391	1.2
197.13257	3.7
201.12732	1.7
211.14787	1.2
213.16286	1.7
215.17960	4.7
229.15863	1.2
229.19426	2.4
239.17964	6.8
257.19034	12.8
289.21628	100.0
289.28894	2.7
290.17548	3.2
290.21951	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	290.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43237	0.9
61.01155	1.6
67.05498	3.3
68.99780	5.4
69.03432	40.0
71.04996	1.8
79.05492	1.9
81.07060	1.9
83.04952	2.4
83.64809	1.0
84.07670	1.9
84.08150	23.6
85.17644	0.8
87.04465	4.3
91.05472	1.4
93.07053	2.1
95.04979	7.4
107.08581	5.3
109.06533	1.3
109.08941	1.7
111.04478	4.9
111.08082	1.4
113.06013	54.1
115.03940	7.9
117.07012	2.0
121.02913	1.5
121.06510	1.1
123.10451	3.1
124.08865	1.0
131.08566	1.1
132.08421	22.6
132.09377	1.7
133.38722	0.9
135.08070	4.9
136.11211	4.8
137.05998	3.1
137.08405	0.9
137.09657	1.3
139.03912	23.9
140.04269	1.1
141.05466	7.2
145.06551	1.7
147.07994	0.9
153.09154	1.7
153.11507	2.3
157.05034	1.2
160.07576	1.2
161.08360	0.9
163.07553	47.9
164.14384	2.2
165.09132	2.3
167.10573	1.0
172.07516	0.9
174.09167	1.0
181.08615	14.6
191.07111	2.2
199.09717	2.0
209.08096	91.5
210.08458	4.2
210.14938	1.4
214.12323	1.9
220.13338	7.7
227.09145	100.0
228.09433	2.6
228.15926	1.8
232.13321	8.5
237.07591	24.7
246.17073	2.2
255.08643	32.5
270.06491	1.0
272.16281	1.2
273.06622	1.0
273.09619	4.0
273.12347	1.6
290.17520	65.3
290.20911	2.4
291.17630	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04257	0.5
55.05505	0.4
67.05491	0.8
68.05029	0.9
69.03419	1.6
69.87457	0.9
70.06591	3.5
71.04980	0.7
79.05497	1.0
80.05014	0.9
81.05782	0.6
81.06625	0.4
81.07066	5.0
82.06584	2.2
83.07359	12.0
84.08143	15.9
85.08443	0.4
88.80779	0.3
91.05473	0.7
93.07027	0.9
94.06568	0.7
95.07313	0.8
95.08604	1.6
96.08132	4.8
97.02891	0.6
97.08905	1.1
98.22762	0.4
100.07615	3.2
105.07013	0.6
106.06562	1.0
107.08624	0.6
108.08127	3.3
109.06512	1.9
109.08908	4.3
110.06047	1.5
110.09676	1.4
111.08096	0.7
119.08494	0.3
120.08118	0.9
122.09669	2.7
123.04434	0.7
123.10520	0.6
124.07585	0.7
124.08855	0.5
124.11233	1.7
125.08377	1.3
126.09111	0.4
131.08540	0.4
134.09679	2.5
135.08084	0.4
135.10414	0.8
136.11220	5.6
137.05980	6.4
137.11971	0.6
138.09158	0.8
138.12784	1.0
149.30946	0.3
150.09126	0.4
151.07567	0.3
152.10707	2.4
153.11470	2.7
154.12233	0.5
157.10156	0.4
160.11224	0.5
164.14360	0.4
175.11172	0.4
177.09258	0.4
182.70953	0.3
203.10654	0.4
221.11729	0.5
227.89328	0.3
229.55980	0.3
262.18091	1.2
265.68390	0.3
272.16473	1.0
290.17502	100.0
291.17804	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	290.1752
Annotation	Atropine
Peak:m/z	Relative Intensity
51.77506	0.2
53.03935	0.2
55.05505	0.7
56.05016	0.5
57.03421	0.2
63.55711	0.2
67.05517	1.4
68.05032	0.4
68.87201	0.2
69.03435	1.5
69.07056	0.2
69.09797	1.4
70.06592	5.2
71.04977	0.3
79.05496	0.8
80.05009	0.3
81.05772	0.2
81.07055	0.5
82.06581	0.7
83.07357	0.8
84.08146	20.9
85.02900	0.2
85.08469	0.4
91.05477	0.6
93.07039	1.0
94.06580	0.3
95.04980	0.3
95.08612	2.1
96.08142	1.5
97.02856	0.4
97.06546	0.3
97.08920	1.0
105.07023	0.6
107.08598	0.6
108.08136	1.1
109.06544	0.5
109.08908	0.8
110.09671	1.1
111.04467	0.3
111.08092	0.3
113.06027	0.2
113.33483	0.2
117.07030	0.4
119.08596	0.8
120.08099	0.3
121.10215	0.3
122.09666	5.4
123.08060	0.3
123.10474	0.6
124.11224	0.3
125.02355	1.3
125.06002	0.9
125.06824	0.2
131.08551	0.4
132.08447	1.1
133.10149	0.2
134.09660	1.0
135.08073	0.3
135.10483	0.4
136.11218	3.3
137.05966	0.7
137.12007	3.2
138.09125	0.3
138.12785	3.8
143.08603	0.4
145.10077	0.2
147.06926	0.2
147.08034	0.3
150.12785	0.4
151.07552	0.2
153.05470	0.5
157.10173	0.4
162.12764	0.5
163.07582	0.2
163.13622	0.2
164.14339	1.4
165.15097	0.3
166.15936	0.5
174.12688	0.2
175.11200	0.4
189.09256	0.2
191.10669	0.2
192.13884	0.5
198.12933	0.2
202.09789	0.2
202.78575	0.2
203.10773	0.2
208.13832	0.2
209.08167	0.2
216.13857	0.3
220.13399	0.4
227.09103	0.3
244.16945	0.2
246.18507	0.8
262.18033	3.4
272.16315	0.3
273.12418	0.3
290.17505	100.0
291.13412	0.4
291.17795	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	290.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10872	0.2
51.53237	0.1
55.01865	0.2
56.96560	0.2
57.03413	0.3
60.23695	0.2
67.05509	0.3
68.45777	0.2
68.99792	0.3
69.03430	3.8
69.37817	0.2
70.06603	0.7
71.04985	0.4
74.06091	0.1
74.14668	0.2
79.05474	0.4
80.23770	0.1
81.03416	0.2
81.07056	1.8
82.04179	0.3
82.06588	0.3
83.07352	0.2
84.08147	5.3
85.02882	0.2
87.04466	0.2
91.05491	0.4
92.14124	0.2
93.07040	0.4
93.69915	0.2
94.06586	0.2
95.04955	0.6
95.08617	0.4
96.05755	0.4
96.08112	1.4
97.02917	0.8
97.08917	0.6
98.97584	0.4
99.04481	0.2
105.07035	0.4
107.08618	0.8
108.08118	0.9
109.02890	0.2
109.06528	0.9
110.09685	0.4
111.04457	0.3
111.08095	1.3
113.06009	1.7
115.03914	0.3
116.98638	0.3
117.06992	0.2
118.06616	0.2
119.08562	0.3
120.08091	0.4
122.07304	0.3
122.09680	1.6
123.08058	0.7
123.10455	9.3
124.08873	2.2
124.10775	0.3
133.10123	0.2
134.09641	1.5
135.08064	0.5
135.10439	0.4
136.11217	11.9
137.05988	5.0
137.11540	0.3
139.03952	1.0
141.05415	0.2
145.10132	0.2
146.09660	0.2
148.11253	0.2
149.11957	0.2
150.12791	0.3
162.12834	0.4
163.07584	1.6
164.10667	0.3
164.14357	8.7
165.09099	0.3
165.14737	0.3
174.12790	1.3
175.11179	0.2
178.12300	0.7
181.08612	0.6
182.09494	0.2
192.13864	2.3
193.14555	0.3
209.08102	3.4
219.10164	0.8
221.11711	1.9
227.09157	3.4
237.07640	1.0
245.12764	0.4
246.01761	0.2
255.08716	1.2
258.14865	0.2
262.14365	0.2
262.18045	0.6
272.10406	0.3
272.16403	0.3
273.09607	0.4
273.12408	0.4
290.17499	100.0
291.13412	0.3
291.17816	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	290.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27229	0.3
55.04251	0.7
55.05514	0.3
56.05022	0.3
61.00686	0.3
63.49417	0.3
65.66559	0.2
66.41396	0.3
66.49276	0.3
67.05499	1.2
68.05032	0.7
69.03419	1.3
69.05791	0.2
69.07085	0.4
70.06593	3.1
71.04991	0.9
79.05479	1.0
80.05019	0.5
81.05798	0.8
81.06611	0.4
81.07063	4.6
82.06581	3.5
83.07361	20.5
84.08144	15.5
91.05499	0.7
93.07034	1.2
94.06570	0.8
95.04988	0.5
95.07354	0.8
95.08611	1.0
96.08136	7.4
97.02863	0.3
97.08941	1.6
100.07624	2.1
105.07054	0.9
106.06532	0.9
107.08600	0.6
108.08120	4.8
109.06540	1.4
109.08908	6.0
110.06049	2.7
110.09705	2.6
111.08058	0.7
114.31408	0.3
119.08587	0.4
120.08104	1.1
122.09660	2.2
123.04426	0.4
123.10466	1.3
124.07587	0.8
124.11230	2.9
125.08379	1.5
126.09150	0.5
129.07083	0.3
131.08536	0.5
133.10115	0.4
134.09671	3.0
135.07996	0.4
135.10461	0.6
136.11218	7.7
137.05978	5.7
138.09131	1.1
145.10127	0.6
147.11673	0.6
150.09163	0.5
150.12772	0.3
152.10704	4.8
153.11479	1.9
154.12263	0.9
157.10178	0.3
159.11739	0.5
160.11208	0.7
162.12749	0.4
164.14343	0.3
174.12885	0.4
175.11249	0.4
178.12285	0.6
180.13870	0.3
186.40114	0.3
221.11845	0.4
227.08984	0.3
246.14859	0.3
254.15129	0.2
262.18024	1.4
272.16431	1.1
290.17502	100.0
291.17853	3.9
304.01004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1752
Annotation	Atropine
Peak:m/z	Relative Intensity
55.05521	0.3
56.96566	0.3
66.11646	0.2
69.03445	1.6
70.06598	0.7
70.61667	0.5
71.04976	0.4
81.07049	1.6
82.04181	0.2
82.52692	0.3
84.08150	5.4
93.07054	0.4
95.04971	0.3
95.07362	0.3
95.08602	0.3
96.05765	0.4
96.08139	1.3
97.02890	1.0
97.06548	0.3
97.08930	0.3
98.97558	0.8
98.98467	0.2
99.04452	0.3
105.07036	0.4
107.08601	0.8
108.08105	0.5
109.06517	0.8
109.92736	0.2
111.08109	1.5
116.98613	0.5
119.08623	0.3
120.08099	0.7
121.02785	0.2
121.08904	0.2
122.09669	2.0
123.08071	0.7
123.10458	10.5
124.08858	2.0
127.03945	0.4
128.04239	0.3
133.08867	0.3
134.09653	1.6
134.99710	0.3
135.08063	0.4
135.10416	0.4
136.11220	12.9
137.05981	5.7
145.06500	0.2
149.12041	0.2
162.12758	0.4
164.14359	8.8
165.14746	0.3
174.12807	1.2
178.12268	0.7
192.13846	2.4
199.12289	0.6
202.53084	0.2
219.10139	0.7
221.11671	1.5
227.11781	0.5
262.18036	0.7
272.16403	0.3
273.12366	1.2
290.17508	100.0
290.94809	0.3
291.13315	0.5
291.17841	5.8
291.79462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2115
Annotation	Dyclonine
Peak:m/z	Relative Intensity
52.30143	0.3
55.01858	0.5
55.05503	0.7
67.05501	1.5
69.03428	1.2
69.14785	1.8
70.06593	1.7
79.05489	1.2
80.72315	0.3
81.03411	0.4
81.07048	2.0
82.06563	1.5
83.07352	1.2
84.08144	13.4
91.05488	2.3
92.05809	0.9
93.07045	1.9
94.07346	0.5
95.04966	0.8
95.08018	0.5
95.08607	8.0
96.08131	25.5
97.08332	0.5
97.08913	7.1
98.06058	0.3
98.09749	0.5
105.07019	0.9
109.06503	0.8
110.06841	0.5
110.08972	0.4
110.09680	5.9
111.10490	0.6
119.06040	0.6
120.06416	0.3
121.06508	3.7
122.06834	3.3
122.09672	1.3
123.08080	2.0
124.11237	0.8
134.09622	0.3
136.11206	1.1
137.05971	0.3
137.12006	1.5
138.11757	0.4
138.12769	6.5
139.13562	3.6
140.14316	1.1
151.07541	11.4
152.07826	0.4
152.10773	0.3
162.12845	0.3
164.14352	6.1
165.09096	0.3
184.11266	0.3
237.28160	0.3
262.17908	0.5
262.21811	0.7
272.20004	0.5
272.51102	0.3
283.26694	0.3
290.11050	4.7
290.17596	9.0
290.21100	100.0
291.18143	0.4
291.21463	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92577	3.5
70.06599	29.1
71.04574	5.0
94.93014	69.4
110.61375	3.2
116.07063	5.9
118.08653	9.5
164.93512	100.0
175.10213	3.5
175.11845	7.3
202.89183	20.2
272.89661	18.3
273.92786	15.7
291.08383	61.6
291.12915	17.6
291.93823	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02411	0.3
55.01883	1.2
55.05492	0.4
56.70318	0.4
65.03948	0.9
67.05505	1.2
68.99780	2.0
69.03464	0.4
69.31197	1.7
81.07069	0.5
83.04987	1.2
83.07332	0.4
84.08141	0.6
91.05481	1.8
93.03407	0.8
95.04964	3.0
96.08124	0.4
97.02893	0.6
99.04454	0.4
105.03392	0.5
105.07057	0.3
107.04962	0.5
111.04472	2.8
115.05447	0.8
119.04933	6.0
123.04427	61.9
124.04777	1.4
127.03937	0.8
131.04910	0.6
133.06474	0.6
135.04417	0.6
137.02316	1.0
137.05984	1.3
139.03894	100.0
140.04222	2.0
143.04887	2.7
147.04398	19.3
148.04713	0.4
151.03873	2.6
153.05482	0.9
161.05981	7.2
163.03845	1.9
165.05470	14.1
166.05818	0.6
169.04932	1.4
177.05530	0.8
179.07011	2.7
181.04974	0.6
182.11794	0.4
189.05424	1.6
207.06522	6.0
220.58353	0.3
249.07559	1.3
266.95508	0.4
273.07590	1.2
291.08615	7.1
291.17725	1.5
292.19046	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	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27985	0.4
55.01885	0.7
56.04144	0.5
56.68620	0.4
56.94074	0.5
65.03931	1.0
67.05515	1.4
68.99792	1.6
69.03439	0.6
69.61698	2.0
80.84364	0.5
81.90514	0.5
83.00060	0.5
83.04987	1.3
91.05470	1.3
93.03416	0.8
95.04958	3.4
97.02897	0.7
104.66378	0.5
105.03413	0.7
107.04981	0.5
111.04443	2.2
115.05447	1.0
119.04948	5.7
119.20368	0.5
120.75702	0.4
123.04430	62.6
124.04730	1.2
127.03937	0.7
131.05040	0.5
133.06458	1.3
135.04454	0.5
137.02382	1.0
137.05948	0.7
139.03899	100.0
140.04230	1.8
143.04936	2.5
147.04407	20.1
151.03918	2.7
153.05502	0.8
159.04459	0.7
161.05998	7.1
163.03894	1.6
163.07523	0.8
165.05481	13.6
166.05873	0.5
169.04941	1.4
177.05530	0.8
179.06982	2.1
181.04915	1.0
189.05446	2.2
190.68144	0.5
207.06532	7.0
221.47186	0.5
232.54659	0.5
249.07608	1.2
255.15875	0.6
273.07489	1.5
282.56702	0.5
283.17429	0.5
291.08609	7.2
292.19055	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01874	1.8
58.44654	0.4
58.49379	0.5
65.03947	0.8
67.05505	1.4
68.99797	2.4
69.36376	2.0
70.06599	0.5
77.03948	0.5
83.04974	0.8
83.31504	0.4
91.05477	1.3
93.03422	1.2
93.78983	0.4
95.04988	3.1
96.99309	0.4
97.02882	0.8
111.04450	2.6
115.05440	1.2
119.04948	5.7
121.02924	0.4
123.04433	65.3
124.04769	1.1
127.03906	1.0
133.06474	0.5
135.04462	0.5
137.02371	0.6
137.05962	0.6
139.03902	100.0
140.04248	2.0
143.04921	2.8
147.04413	21.5
147.05595	1.0
151.03920	2.1
153.05444	0.7
161.05978	7.6
163.03908	2.3
165.05487	13.6
169.04993	1.0
177.05481	0.7
179.07019	2.9
181.04951	0.9
189.05467	2.2
207.06543	6.5
248.72437	0.6
249.07614	1.0
273.07507	1.0
275.71893	0.5
276.88773	0.4
291.08630	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	291.0976
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
52.87733	0.8
54.14592	0.8
56.00469	0.9
58.74424	0.7
64.16251	0.8
69.03419	2.3
69.39186	3.1
75.51637	0.8
81.07050	1.0
87.00848	0.9
88.03990	1.8
91.05454	1.5
115.05424	4.2
117.05745	1.4
118.06544	11.3
121.10214	0.9
130.06528	100.0
130.55991	0.7
131.06874	2.3
132.08089	34.8
132.09079	1.8
142.06544	9.8
142.07622	1.4
143.07257	1.7
144.08115	5.3
146.06009	19.5
147.67712	0.8
156.02881	2.0
156.08084	3.7
157.07605	4.6
158.05934	0.9
158.08456	4.0
159.09178	99.0
160.07562	6.3
160.09515	3.4
167.06010	2.3
169.07677	3.8
170.06010	31.8
171.06688	1.2
172.07556	1.0
174.03932	1.4
181.07590	1.6
182.05986	1.5
183.09221	5.8
184.07579	19.0
184.09122	1.5
185.07097	42.0
186.07518	1.3
187.08693	5.1
188.07069	39.4
189.07455	1.2
199.08702	2.9
200.07091	8.6
201.10226	14.3
205.09756	1.1
209.07121	1.8
227.08153	45.8
228.08458	1.5
229.09726	1.4
231.07571	2.7
245.09219	91.8
246.09557	3.1
255.07613	3.7
273.08661	11.7
273.14902	2.1
291.09488	4.1
291.12357	2.4
292.19025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0976
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
68.99787	1.4
69.22526	4.5
70.00775	1.1
74.03255	1.0
77.34762	1.1
79.33283	1.0
87.00838	2.5
88.04000	1.6
115.05449	3.3
117.05746	1.2
117.07029	1.1
118.06543	14.7
129.06989	1.4
130.06531	100.0
131.06863	2.7
132.08087	34.4
133.08446	1.2
142.06531	10.7
143.07330	2.3
144.08069	6.5
146.06017	20.9
156.02855	1.5
156.08087	3.7
157.07660	7.7
158.05992	1.7
158.08386	4.3
159.09177	93.5
159.81601	1.0
160.07587	7.9
160.09468	1.1
167.06032	1.9
169.07661	3.6
170.04539	1.8
170.06010	33.9
171.09126	1.1
172.07599	1.2
174.03975	2.0
181.07567	3.7
182.05986	1.5
183.09103	6.1
184.07574	17.6
185.07092	48.2
186.07426	2.2
187.08681	4.0
188.05336	2.1
188.07059	41.0
189.07367	1.3
195.40227	0.9
199.08527	2.2
200.07036	10.3
201.10223	12.6
209.07181	2.3
227.08142	48.8
228.08539	2.0
229.09744	3.2
231.07677	4.4
245.09215	90.3
246.09485	3.0
255.07655	4.0
273.08701	11.8
291.09894	5.4
291.17789	2.5
292.18985	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	291.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	1.4
69.22526	4.5
70.00775	1.1
74.03255	1.0
77.34762	1.1
79.33283	1.0
87.00838	2.5
88.04000	1.6
115.05449	3.3
117.05746	1.2
117.07029	1.1
118.06543	14.7
129.06989	1.4
130.06531	100.0
131.06863	2.7
132.08087	34.4
133.08446	1.2
142.06531	10.7
143.07330	2.3
144.08069	6.5
146.06017	20.9
156.02855	1.5
156.08087	3.7
157.07660	7.7
158.05992	1.7
158.08386	4.3
159.09177	93.5
159.81601	1.0
160.07587	7.9
160.09468	1.1
167.06032	1.9
169.07661	3.6
170.04539	1.8
170.06010	33.9
171.09126	1.1
172.07599	1.2
174.03975	2.0
181.07567	3.7
182.05986	1.5
183.09103	6.1
184.07574	17.6
185.07092	48.2
186.07426	2.2
187.08681	4.0
188.05336	2.1
188.07059	41.0
189.07367	1.3
195.40227	0.9
199.08527	2.2
200.07036	10.3
201.10223	12.6
209.07181	2.3
227.08142	48.8
228.08539	2.0
229.09744	3.2
231.07677	4.4
245.09215	90.3
246.09485	3.0
255.07655	4.0
273.08701	11.8
291.09894	5.4
291.17789	2.5
292.18985	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	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03934	0.7
55.01871	2.9
55.05513	4.8
57.03431	4.6
57.07066	0.6
59.05003	2.0
61.02929	4.5
67.05503	4.4
68.60126	0.4
69.03423	1.9
69.07069	32.4
70.07402	1.0
71.04998	1.4
71.46619	0.7
77.03925	0.9
79.05038	1.0
79.05492	16.7
80.05022	0.6
80.24477	0.5
81.03407	0.9
81.07050	5.4
85.02917	0.8
85.06545	2.5
87.08096	1.6
87.45993	0.5
89.03909	5.7
91.05481	2.3
93.07049	2.3
95.04960	2.5
95.08607	2.2
97.06532	99.5
98.06873	1.4
103.05470	1.2
105.03397	1.3
105.04525	1.1
105.07046	0.8
107.04944	2.9
107.08619	2.0
109.02893	0.5
109.06529	1.3
109.10159	1.5
111.08087	3.2
112.08905	0.5
116.61716	0.5
117.03389	7.9
119.04942	1.0
119.08610	0.6
121.10120	1.2
123.11686	1.5
127.03947	0.8
128.06238	0.8
129.07008	0.9
129.09129	3.3
131.04926	1.3
131.08559	1.1
133.02846	6.0
133.10181	0.7
134.03680	0.8
135.04411	11.8
141.06943	0.7
145.02850	9.2
145.06471	0.8
145.10109	0.8
147.04414	2.0
157.06477	1.9
159.04411	9.8
159.08054	1.0
161.02345	35.7
162.02740	0.6
163.03905	59.1
164.04243	1.5
167.08519	0.7
169.06523	0.7
173.02347	71.1
174.02628	2.4
177.05577	0.8
185.05981	3.5
186.03134	1.8
187.03996	0.8
187.07561	1.8
189.05554	0.7
191.03400	5.9
195.08180	0.5
197.05922	1.3
199.03931	0.8
205.04926	0.5
213.09065	0.9
215.07030	100.0
216.07458	3.6
233.08063	4.2
241.08594	10.3
259.07077	1.0
259.09656	13.2
273.11151	2.6
273.18567	1.0
280.90939	0.5
291.12314	9.2
291.20114	1.8
291.23346	0.7
292.15524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.44168	3.8
55.01848	3.4
55.05502	10.6
57.07074	5.4
59.05013	4.9
66.09360	3.7
67.05511	5.3
69.07097	4.0
70.06606	7.0
70.56773	4.3
79.05493	12.6
81.07045	11.2
83.04929	3.8
83.08604	10.7
85.06519	5.6
91.05491	10.1
93.07038	12.6
93.63720	3.7
95.04972	8.0
95.08607	21.4
97.06564	4.8
105.07037	12.8
107.04952	23.6
107.08591	9.3
109.06510	13.0
111.08085	42.3
119.08573	8.9
121.10122	7.4
123.08073	34.8
123.11630	3.4
131.08546	7.6
133.10115	11.2
135.08051	9.7
135.11687	4.8
145.10109	6.2
147.07974	3.8
147.11650	5.2
149.09627	7.2
151.07542	100.0
151.08752	6.5
152.07999	4.2
155.10674	5.7
157.10121	8.4
163.11191	4.8
171.11725	6.2
173.13315	6.8
174.10474	4.3
175.11150	7.3
179.10561	5.9
189.12737	27.7
191.14349	17.9
197.11720	19.1
197.13257	4.4
207.13797	67.9
208.14095	4.6
233.15370	53.3
247.21294	4.4
273.18616	6.7
291.19641	64.8
291.27261	12.5
292.19238	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03929	5.3
55.01866	12.0
55.05510	35.0
62.57599	4.8
67.05501	45.5
69.03427	5.8
69.07056	22.9
70.09679	13.8
71.04993	7.1
74.48006	4.7
79.05490	62.6
81.07056	81.8
83.04983	6.2
83.08627	17.6
91.05480	52.5
93.07047	49.3
95.04972	18.1
95.08606	30.6
97.06562	6.7
97.10165	21.0
105.07029	50.6
107.04984	18.8
107.08609	35.9
109.06491	12.1
109.10155	11.5
111.08105	10.6
117.07026	38.9
117.81707	4.5
119.08567	55.3
121.06541	25.9
121.10149	21.0
122.95750	4.2
123.08019	10.3
123.35399	4.6
125.09646	10.1
128.06230	4.8
129.07037	22.3
129.07893	4.0
131.08571	56.1
133.06528	5.3
133.10144	15.5
135.08032	5.9
135.11679	4.8
137.09627	7.3
141.06998	5.2
142.07747	4.7
143.08542	31.8
145.10141	56.0
147.08022	35.3
147.11688	7.5
149.09641	11.8
157.10138	19.3
159.11737	15.1
161.09634	14.3
163.11055	6.2
169.10077	8.7
171.11670	7.9
181.10127	5.9
185.13248	6.6
188.90662	5.1
189.11195	7.6
199.14880	5.0
217.11847	5.5
234.91573	4.7
237.16167	5.7
249.14915	8.9
250.38751	5.6
255.17377	8.1
273.18564	61.9
291.19531	100.0
291.27219	19.2
292.19070	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01875	12.1
55.05514	53.2
57.03436	3.4
67.05507	32.1
69.03416	5.4
69.07072	10.6
69.60753	7.7
78.34734	2.9
79.05495	55.4
81.03452	3.4
81.07063	50.4
83.04990	8.6
83.08623	18.5
85.06530	4.4
88.44785	2.6
89.25320	3.2
91.05480	62.4
93.07046	22.3
95.04980	12.9
95.08617	17.0
97.10179	18.1
98.98449	3.9
103.33051	2.8
105.03421	4.6
105.07047	27.1
107.04976	14.9
107.08590	21.3
109.10183	11.5
111.08098	3.0
115.05460	4.1
116.06259	2.9
117.07018	26.3
119.08580	63.2
121.06531	13.2
121.10157	5.5
123.08108	5.5
125.09609	19.7
129.07025	10.9
131.08578	24.4
132.98717	6.2
133.06490	3.9
133.10132	7.7
135.08084	13.1
143.08574	12.7
145.06432	3.0
145.10132	26.9
147.08052	45.5
149.09633	8.6
151.07553	7.8
157.10123	7.4
159.08063	5.2
159.11734	7.1
161.09633	7.8
163.11218	4.8
171.11702	3.8
175.11168	2.8
185.13286	3.1
189.11224	15.1
189.12692	3.5
192.13385	4.8
195.11646	3.7
195.40320	3.9
207.13835	7.4
232.17906	3.2
235.07607	2.9
237.16454	3.8
245.19106	3.5
249.15027	6.6
255.17468	7.6
263.60373	3.2
273.18478	100.0
274.18927	3.0
291.19641	75.1
291.27048	6.7
292.19626	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	2.2
54.93489	1.5
55.01871	3.3
55.05519	10.4
57.03447	4.7
57.07084	2.6
65.03950	6.0
67.05512	55.9
69.03430	2.1
69.07082	8.0
71.05010	2.6
71.08601	1.4
79.05508	14.9
81.03413	2.9
81.07071	13.2
83.04974	2.1
83.08627	3.7
90.91859	1.7
91.05491	13.1
93.07050	16.5
95.04977	100.0
95.08595	10.1
96.29399	1.7
97.06533	5.0
105.04554	2.0
105.07052	11.7
107.04977	7.3
107.08604	7.3
109.06551	4.7
109.10157	2.2
111.08073	4.4
116.06246	1.7
117.07043	5.5
119.08603	6.6
121.06506	5.2
121.10169	5.3
123.08096	3.7
129.07072	1.7
131.08577	11.0
133.06505	4.6
133.10176	4.0
135.08052	3.1
135.11699	4.7
137.05981	2.1
143.08527	4.3
145.06488	2.0
145.10144	5.2
147.08057	6.1
147.11819	2.0
149.09653	2.9
157.10266	2.3
159.11787	3.8
161.09642	2.4
163.07579	1.9
163.11201	3.4
171.11636	1.8
193.12228	1.6
229.06224	1.6
273.18524	31.6
273.21387	2.5
274.18625	2.1
291.19608	11.0
291.27261	3.7
292.15591	3.7
292.19177	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	1.4
55.01872	21.4
55.05266	0.6
55.05510	11.2
57.03436	17.3
57.07071	0.7
65.03931	2.1
66.34038	0.5
67.05504	19.8
69.03423	2.4
69.07069	4.1
71.04974	1.5
77.03918	0.9
79.05492	37.9
81.03411	1.6
81.07054	19.6
83.04976	2.1
83.08603	3.6
85.06556	3.9
91.05476	29.0
93.07044	21.2
95.04965	6.7
95.08606	9.1
97.06539	2.7
97.10154	2.4
99.04469	0.9
99.08086	0.7
101.06026	0.8
103.05478	1.0
105.04520	0.9
105.07028	18.2
106.04195	0.7
107.04951	10.3
107.08592	23.1
108.08947	0.8
109.06516	71.0
109.10139	3.1
110.06841	1.1
111.04475	0.6
111.08073	1.9
113.05990	1.8
115.05435	2.9
116.06237	1.3
117.07021	13.3
119.04921	0.9
119.06067	1.9
119.08575	10.1
120.08944	0.6
121.06519	4.7
121.10150	5.1
123.08076	3.9
125.09573	1.2
128.06233	2.0
129.07011	7.0
130.07794	1.0
131.05109	0.5
131.08568	15.5
133.06502	2.2
133.10112	5.7
135.08049	100.0
135.11641	5.5
136.08400	1.8
137.09630	1.1
141.06981	0.6
142.07736	1.2
143.08560	5.2
145.06526	0.9
145.10124	9.9
147.08035	5.8
147.11679	2.2
149.09618	9.9
149.13264	1.2
150.70265	0.5
151.11215	0.6
155.08597	1.1
157.10126	7.1
159.08073	1.7
159.11703	5.2
161.09607	8.9
161.13297	0.9
163.11098	2.8
165.09134	1.2
169.10069	0.8
171.11684	3.3
173.13228	1.5
175.11194	2.4
177.09042	0.7
177.12766	2.2
181.10056	0.7
183.11694	1.6
185.09727	0.5
185.13287	1.5
187.11082	0.6
189.11192	1.0
189.12727	0.7
193.12201	0.9
195.11722	1.0
195.13808	0.9
199.11246	1.5
199.14844	3.8
201.12715	2.0
203.08452	0.6
217.15866	20.9
218.16246	0.7
219.13811	1.5
219.31566	0.5
227.17961	1.5
237.16396	1.5
245.19026	1.8
249.14793	0.9
255.17334	3.6
273.18481	24.5
274.18802	1.1
291.10217	1.9
291.19556	61.8
292.19681	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02369	0.8
53.03937	2.0
54.52789	0.6
55.01857	2.0
55.05510	20.6
57.07077	5.5
59.04988	2.3
65.03933	1.6
65.25629	0.6
67.05504	36.2
69.06709	1.1
69.07068	20.9
70.43999	1.0
71.04993	1.4
71.08618	2.5
73.06545	2.7
77.03920	2.2
79.05492	55.4
80.05804	0.8
81.07055	51.1
82.07365	0.8
83.04984	2.2
83.08620	11.1
85.06547	7.2
85.10167	0.9
87.08088	1.1
89.06000	0.7
89.31384	0.6
91.05477	39.1
93.07043	87.2
94.07360	2.2
95.04961	7.9
95.08604	30.5
97.06528	3.7
97.10133	3.4
99.08077	1.6
101.06025	1.7
105.04543	3.8
105.07026	31.5
107.08590	47.0
108.08899	1.4
109.06526	3.4
109.10152	11.0
111.08094	1.8
115.05425	0.8
115.07592	1.2
117.07003	5.9
119.06106	1.0
119.08578	28.1
119.09420	1.7
120.08961	1.0
121.06496	1.8
121.10139	32.1
122.10480	0.8
123.08075	3.7
123.11703	3.9
125.09586	1.6
129.07011	5.5
129.09142	0.7
130.07904	0.9
131.08568	9.6
133.10124	23.0
135.08078	3.1
135.11691	22.6
136.11964	0.7
137.09592	1.5
137.13240	1.9
143.08569	5.2
144.09033	0.7
145.10123	7.4
147.08038	3.2
147.11687	22.1
149.09628	3.9
149.12094	1.4
149.13249	21.3
151.11072	0.8
155.10597	0.9
157.10130	5.3
159.11690	4.7
161.09624	7.0
161.13245	19.9
163.11179	2.2
163.14810	17.9
165.12741	0.9
168.92624	0.8
171.11684	9.6
173.13249	3.0
175.11200	7.0
175.14812	16.9
177.12733	1.4
177.16400	4.0
185.13246	6.6
187.14787	1.1
189.12732	5.6
189.16360	1.2
191.14322	0.8
193.12257	1.6
195.13660	1.0
199.14807	3.2
203.14302	3.7
207.13818	1.8
209.15463	1.3
213.16341	1.1
215.17950	2.8
217.15976	1.5
217.19511	18.3
221.15363	5.0
231.17421	3.1
231.21002	5.2
235.16878	3.7
241.19514	12.1
249.18419	1.5
259.17816	1.3
259.20557	20.5
260.21024	0.9
291.23157	100.0
292.18961	1.0
292.23462	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03938	3.3
55.05506	18.8
57.07072	2.5
67.05163	3.7
67.05506	44.1
67.30487	2.0
69.07072	16.4
79.05493	75.8
79.05951	4.1
81.07058	57.1
82.07406	2.3
83.04969	2.9
83.08613	9.8
85.06537	3.9
91.05480	31.4
93.07047	100.0
94.07374	2.8
95.04945	10.4
95.08601	32.0
97.10173	5.5
98.22720	5.9
105.04532	5.6
105.07043	18.9
107.08600	53.6
108.08891	3.1
109.06516	3.6
109.10152	14.1
111.08070	2.1
117.07041	4.4
117.66577	1.9
119.08581	16.7
121.10141	52.5
123.08068	4.3
123.11700	4.8
125.09631	2.3
129.07036	2.2
131.07669	2.4
131.08585	9.0
133.10139	14.2
135.08067	3.2
135.11699	55.1
137.09657	2.1
145.10117	6.5
147.11661	12.0
149.09666	4.2
149.13274	32.2
157.10129	2.6
157.58817	1.9
159.11671	5.8
161.13242	8.5
163.11194	4.0
163.14810	9.4
167.10718	4.4
171.11691	4.5
173.13274	2.0
175.11130	2.0
175.14819	6.2
177.12726	3.5
177.16356	2.1
185.13264	2.5
199.14841	2.4
209.15291	2.1
213.16374	2.3
217.15784	2.6
217.19469	2.5
228.96742	1.9
238.94019	2.0
241.19489	7.9
249.18460	3.4
258.37640	2.1
259.20529	9.2
291.20050	4.6
291.23172	61.7
292.15405	5.3
292.23456	3.4
302.81494	2.2
312.67569	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	292.1908
Annotation	eucatropine
Peak:m/z	Relative Intensity
55.05503	0.6
67.05499	0.3
69.03430	0.4
69.07042	0.4
70.06596	2.8
70.43568	0.4
71.04978	0.9
79.05475	0.8
81.07056	0.4
82.06571	0.6
82.47852	0.2
83.07349	0.4
84.08143	9.5
87.47963	0.2
91.05466	0.3
93.07047	0.6
94.06569	0.2
95.08614	0.6
96.08120	0.8
97.02883	0.4
97.06520	1.9
98.09671	0.3
98.98447	0.2
99.04472	0.3
100.07597	0.4
105.07019	0.4
107.08557	0.4
107.83646	0.2
108.08103	0.5
109.06493	1.1
109.08903	0.3
110.09679	2.1
111.08073	0.4
112.41009	0.3
119.08581	0.3
122.09644	3.2
123.08057	0.4
124.11223	0.8
134.09657	0.7
136.11214	1.9
137.05957	0.4
137.11993	2.1
138.12776	10.1
139.13124	0.3
149.09624	0.3
150.12817	0.3
155.07130	0.3
160.11137	0.2
162.12834	0.3
164.14301	0.2
166.15929	1.4
166.82773	0.2
176.14326	0.4
177.12608	0.3
178.12256	0.2
178.15826	0.4
180.13910	0.3
194.15411	8.7
195.15836	0.2
204.13736	0.2
218.15440	0.5
248.20068	1.7
264.19647	0.4
274.18011	0.4
292.19046	100.0
293.19391	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	292.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
54.53208	0.1
54.71714	0.1
55.01878	0.7
55.05515	2.2
56.05034	0.2
57.03445	0.2
65.03951	0.2
67.05493	0.5
67.34735	0.2
68.05011	0.4
69.03422	0.7
69.07072	0.3
69.62409	0.6
70.06593	5.5
71.04974	0.2
71.06913	0.2
79.05493	1.2
80.05016	1.9
81.05793	0.1
81.07061	2.4
82.06570	0.5
83.04933	0.2
83.07364	1.1
84.08144	8.7
85.08462	0.2
91.05485	0.6
93.07033	0.5
94.06570	1.3
95.04948	0.3
95.08607	0.8
96.07520	0.3
96.08131	6.3
97.02880	0.1
97.06484	0.1
97.08926	0.5
97.10163	0.2
98.06052	0.6
98.09705	0.2
98.23416	0.2
99.04455	0.3
100.07645	0.3
105.07034	0.7
107.08579	0.8
107.10535	0.2
108.08118	0.8
109.06517	0.7
109.08894	0.5
110.09684	2.2
111.04445	0.5
112.07578	0.4
113.02335	0.2
117.07035	0.3
119.08617	0.3
120.08105	0.3
122.09666	6.2
123.04403	0.2
124.11224	1.0
125.06010	0.6
125.09632	0.5
126.05460	0.4
126.09138	0.2
130.84029	0.1
132.08131	0.2
132.58893	0.4
134.09647	1.0
135.08000	0.2
135.10390	0.3
136.11217	4.9
137.05981	2.0
137.12006	1.9
138.11871	0.2
138.12782	2.2
147.11754	0.2
148.11191	0.5
149.09654	0.1
149.11980	0.2
150.09143	2.4
150.12773	0.5
152.10672	1.2
153.05414	0.2
154.12268	1.6
155.13060	0.9
160.11208	0.2
162.12776	1.0
164.14342	1.5
166.15875	0.3
168.10190	1.0
176.14322	0.2
178.15802	0.2
180.13861	0.5
182.11769	14.2
183.12062	0.4
186.12837	0.2
188.14285	0.2
190.15895	0.3
194.15381	1.3
195.11267	0.4
218.15421	0.5
234.14847	0.8
246.18456	0.4
248.16475	0.2
248.20093	0.3
250.14465	0.3
256.17047	0.2
264.19586	1.3
274.18011	6.1
274.21005	0.3
275.18256	0.2
292.19052	100.0
293.19397	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	292.1909
Annotation	Dendroxine
Peak:m/z	Relative Intensity
52.55449	0.3
55.05508	0.8
55.30242	0.3
57.07072	0.7
67.05494	2.1
69.03415	0.7
69.07072	0.6
69.42059	1.0
69.42448	0.5
70.06569	0.4
71.04968	0.4
74.04781	0.3
79.05493	0.7
80.05025	0.8
81.03421	0.4
81.07049	1.1
84.08121	0.3
91.04015	0.3
91.05489	2.9
93.07052	1.1
94.06560	0.5
95.04961	1.5
95.08611	0.9
96.08128	1.5
98.09686	1.0
105.07068	2.2
106.06586	0.3
107.08619	0.5
109.02896	0.7
109.06483	0.4
110.09682	0.4
117.07003	1.3
118.06572	0.3
119.04955	0.3
119.08587	3.5
120.08092	1.0
121.06529	0.9
121.10155	0.3
122.09690	0.6
127.89664	0.3
128.06178	0.3
129.07088	0.4
131.08559	1.7
132.08072	0.8
133.06483	0.9
133.08884	0.4
133.10054	0.7
134.09686	0.6
136.11212	1.1
137.08441	0.3
137.09544	0.6
138.12747	2.2
143.08574	0.5
145.06451	0.7
145.09062	0.3
145.10139	0.9
146.05965	0.3
146.07263	0.5
146.09663	0.9
147.08063	5.5
147.10423	1.5
147.11621	0.7
148.07559	2.1
148.11191	1.3
149.09683	0.7
150.12840	0.5
155.08501	0.4
158.09666	7.9
158.10985	0.4
159.08067	1.5
160.11230	0.4
161.09631	1.3
161.13226	0.6
162.09140	1.0
162.12790	0.9
164.14359	1.6
173.09627	0.9
174.09163	4.8
174.10495	0.5
175.09935	11.7
175.14871	1.0
176.10690	1.4
176.14413	0.4
188.14130	0.4
189.12914	0.5
190.12248	0.5
202.12285	0.5
202.15979	0.4
203.14397	2.9
204.13855	1.0
204.17484	5.9
204.29453	0.3
205.15883	1.2
214.15967	1.1
215.14343	1.3
230.15381	0.9
232.16975	22.6
233.15344	1.0
233.17422	0.6
248.84898	0.3
250.18039	1.0
268.33115	0.3
271.17490	0.3
277.51288	0.3
292.19083	100.0
293.19373	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	292.1907
Annotation	eucatropine
Peak:m/z	Relative Intensity
51.98618	0.1
55.01878	0.1
55.05511	1.2
56.05037	0.2
60.87711	0.1
67.05514	0.6
68.05033	0.2
69.03435	0.9
69.07058	0.5
70.06596	4.4
70.49002	0.2
70.49338	0.2
71.05001	1.7
79.05516	0.6
80.05016	0.2
81.07059	0.6
81.98207	0.1
82.06573	0.3
83.04986	0.3
83.07365	0.5
83.19656	0.1
84.08146	16.5
84.67068	0.1
91.05491	0.3
93.07041	0.7
94.06590	0.2
95.04987	0.3
95.08618	0.9
95.80129	0.1
96.08119	0.6
97.02898	1.2
97.06532	1.7
97.08917	0.3
97.10187	0.2
98.06029	0.1
98.09686	0.2
99.04469	0.5
100.07611	0.7
105.07028	0.5
107.04963	0.2
107.08575	0.7
108.08134	0.4
109.06509	0.3
110.09679	0.6
111.04465	0.2
111.08076	0.3
117.07004	0.2
119.08566	0.3
120.08104	0.4
121.06535	0.2
122.09669	2.4
123.08047	0.2
123.10484	0.3
124.11237	1.4
126.09151	0.1
126.12827	0.1
129.07062	0.2
131.08559	0.3
132.08031	0.2
133.10077	0.2
134.09634	0.4
135.10414	0.2
136.11229	2.1
137.05992	0.7
137.12027	2.1
138.12781	3.4
139.07559	0.2
140.10756	0.2
143.08588	0.2
145.10107	0.2
146.09651	0.1
148.11250	0.2
150.12700	0.1
154.12245	0.3
159.11691	0.2
160.11206	0.1
162.09253	0.2
162.12764	0.6
164.14365	0.4
166.15927	4.6
167.16302	0.2
173.09645	0.1
176.14403	0.2
178.15886	0.3
180.13922	0.2
182.11827	0.1
188.10712	0.1
194.15405	21.5
195.15756	0.8
195.43352	0.1
203.14453	0.2
211.06075	0.1
218.15457	0.3
219.66692	0.1
221.11633	0.1
231.41428	0.1
234.14923	0.3
245.15358	0.2
246.15106	0.1
246.18373	0.2
248.20049	0.6
250.17870	0.1
256.16986	0.1
264.19385	0.2
274.14490	0.2
274.17984	1.1
290.17386	0.2
292.19055	100.0
293.16095	0.2
293.19388	5.0
310.24634	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	292.1907
Annotation	eucatropine
Peak:m/z	Relative Intensity
55.05492	0.3
58.06589	1.1
58.82156	0.2
67.05502	0.2
70.06583	1.9
71.04980	0.3
80.05023	0.5
81.07040	0.4
82.06581	0.4
84.08148	1.3
91.05450	0.3
94.06571	0.2
95.47535	0.3
96.08163	0.5
97.08906	0.5
98.09698	0.3
99.04483	0.5
108.08065	0.3
110.09694	1.7
111.10534	0.4
117.18022	0.3
120.08109	1.1
121.08968	0.3
122.08932	0.3
122.09638	1.5
134.09653	9.1
135.10413	0.6
136.11235	1.9
137.12068	0.3
138.12758	0.3
148.11206	6.8
149.12029	0.4
150.09219	0.3
152.14301	1.3
162.12781	15.2
163.13142	0.4
176.14346	4.5
177.15128	8.5
182.11798	0.7
198.14897	0.5
204.13817	0.3
217.07472	0.2
218.15533	0.4
241.84586	0.3
246.18535	16.0
247.18762	0.6
251.67587	0.2
264.15955	0.8
274.17969	1.0
292.19092	100.0
292.22668	9.1
293.19418	4.9
293.22675	0.5
303.37292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1906
Annotation	cyclopentolate
Peak:m/z	Relative Intensity
53.03945	0.2
55.01873	0.5
55.05512	1.9
56.05040	0.2
67.05497	0.6
68.05031	0.3
69.03426	0.6
69.07063	0.3
69.37409	0.8
70.06594	5.9
71.04971	0.2
77.20854	0.2
79.05502	1.0
80.05013	2.2
81.05769	0.2
81.07057	2.7
82.06583	0.7
83.04983	0.2
83.07367	0.9
84.08144	9.2
85.08922	0.3
91.05481	0.4
93.07034	0.7
94.06576	1.3
95.08610	0.7
96.08132	6.4
97.02911	0.2
97.06531	0.3
97.08922	0.6
98.06042	0.7
98.09731	0.2
100.07588	0.2
100.89088	0.2
105.07014	0.6
107.08600	0.7
108.08134	0.8
109.06510	0.8
109.08871	0.4
109.10117	0.2
110.09693	1.9
111.04449	0.4
111.08108	0.2
112.07597	0.4
112.11269	0.2
119.58755	0.2
120.08118	0.6
122.09673	5.5
123.04435	0.3
123.08084	0.3
124.11212	0.9
125.05981	0.3
125.09627	0.6
126.05512	0.4
126.09152	0.3
132.08128	0.2
132.58887	0.3
134.09633	1.2
135.08028	0.3
135.10422	0.3
136.10187	0.3
136.11226	4.9
137.05988	2.2
137.12013	2.0
138.12785	2.4
148.11209	0.3
149.12044	0.2
150.09132	2.2
150.12791	0.3
152.10722	1.4
153.05446	0.2
154.12263	1.5
155.13055	0.8
160.11237	0.5
162.12729	0.9
164.14372	1.7
168.10190	1.2
172.11128	0.2
174.12773	0.3
176.14326	0.2
178.12332	0.2
179.16701	0.1
180.13838	0.3
181.11475	0.2
182.11763	12.1
183.12102	0.2
184.13304	0.2
190.15941	0.2
194.15401	1.1
195.11339	0.2
200.14420	0.2
208.13423	0.2
218.15289	0.3
234.14928	0.8
246.18596	0.5
248.20103	0.7
264.19531	1.1
274.18011	6.5
274.20993	0.3
275.18433	0.3
292.19058	100.0
293.19394	4.7
309.53647	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	292.1909
Annotation	Dendroxine
Peak:m/z	Relative Intensity
53.03954	0.6
55.05506	1.8
57.03421	0.7
57.82171	0.5
67.05506	5.0
68.05021	1.7
68.88163	0.5
69.03422	2.1
69.07063	1.7
69.15588	3.2
70.06593	8.4
71.04990	1.2
79.05485	1.8
80.05009	0.5
81.03429	0.6
81.07070	2.6
82.64564	0.5
84.04502	2.3
84.08125	2.2
86.06061	1.8
91.05478	1.6
93.07040	1.6
95.04958	0.7
95.08028	0.7
95.08605	11.1
96.04490	4.7
96.08122	0.7
97.06580	0.5
98.06055	21.6
98.97582	1.7
105.07020	3.6
107.08581	2.3
108.08121	1.0
109.06512	1.3
110.06023	0.7
110.09654	0.9
112.07568	0.9
116.98588	1.0
119.08570	2.3
120.08150	0.8
121.06513	1.8
121.10123	1.4
122.09690	1.1
122.79549	0.5
123.08056	3.2
124.07593	0.7
129.06993	0.6
131.08577	1.6
133.10088	3.0
135.08054	1.4
135.11694	0.6
136.11192	0.8
138.09129	4.4
141.09126	1.2
143.08524	0.6
147.08022	2.1
148.11302	0.6
149.09599	2.1
150.09091	3.6
152.10707	13.2
157.54799	0.7
160.08882	0.6
161.09604	2.2
161.13268	4.6
162.12798	0.6
163.11145	1.4
163.14819	0.9
164.10747	2.7
164.14363	0.7
165.00827	0.5
171.11679	1.0
173.13263	0.8
176.10722	0.7
182.11804	2.1
189.12759	5.5
191.14310	1.7
192.13811	3.1
204.13757	0.7
218.15373	3.9
246.18520	6.1
250.14366	0.8
274.14822	0.9
274.18018	10.1
292.19052	100.0
293.16504	0.6
293.19086	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	293.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90522	0.5
69.13942	2.7
69.14339	0.7
70.95846	0.6
98.97585	1.8
98.98431	0.8
116.98629	1.1
119.01906	1.9
124.18947	0.5
134.99744	0.8
135.06525	0.5
143.50954	0.5
158.99840	3.7
169.72707	0.6
175.59599	0.5
177.00946	27.0
178.01080	2.0
180.77562	0.6
185.01497	1.1
201.00940	0.7
203.02499	18.0
204.02626	2.0
210.99413	1.6
219.02013	9.6
221.01823	0.7
229.00400	9.9
230.00610	0.9
247.01488	100.0
248.01613	8.6
252.02086	1.2
261.03113	1.0
270.03091	7.2
271.03354	0.7
274.97455	1.4
289.02402	0.6
292.97977	1.0
303.83334	0.6
313.10471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32040	1.7
60.05638	3.4
70.06591	2.4
70.26837	1.9
70.27202	3.6
72.72674	1.7
74.65942	1.5
77.73912	1.7
94.93015	7.4
96.92824	7.0
112.89571	1.8
118.00564	2.0
118.08658	32.1
119.08991	4.1
150.84201	1.8
161.99525	76.0
164.93489	3.2
166.93326	11.2
171.00519	3.2
175.11916	8.3
176.12225	3.2
204.88928	3.2
274.89639	2.2
274.93182	4.7
293.06299	100.0
294.03934	8.3
294.06683	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.16759	1.5
53.03948	2.9
55.01875	7.2
55.05516	19.8
57.03441	4.3
57.07071	6.9
59.05003	1.7
61.53338	1.5
64.34306	1.6
64.45922	1.9
67.05512	25.3
69.03430	3.3
69.07069	29.4
69.27119	8.4
71.04996	3.5
79.05497	44.4
81.03416	4.8
81.07060	37.1
83.03644	1.5
83.04985	10.3
83.08629	9.8
85.06537	3.0
88.63681	1.7
91.05481	25.5
93.07048	45.9
95.04967	17.7
95.08611	22.4
97.06556	6.1
97.10142	4.7
98.22685	3.7
99.08078	2.3
101.06065	2.0
105.07034	22.7
107.04958	48.9
107.08595	24.7
109.06518	6.0
109.10175	7.9
111.04432	2.0
111.08085	4.6
111.11797	1.9
115.57680	1.6
117.07021	8.5
119.08581	23.4
121.06520	3.6
121.10155	17.3
123.08078	2.1
123.11735	3.0
131.08572	10.5
133.10121	24.2
135.00346	2.2
135.08060	38.8
135.09071	2.5
135.11673	6.1
137.09676	2.0
139.11191	7.7
143.08556	2.7
145.10114	9.4
147.11668	10.0
149.09621	9.6
151.11189	4.8
157.10103	1.7
158.66144	1.7
159.11717	6.8
161.13205	3.0
163.11165	6.1
167.10727	2.2
169.10133	2.1
173.09650	1.8
173.13344	3.5
177.12738	3.1
178.06210	2.0
181.04945	2.6
187.11354	2.1
187.13179	1.9
191.10684	5.9
203.12817	9.6
208.85736	2.1
209.11739	8.5
219.10242	1.7
223.13216	3.7
237.11208	17.9
239.18073	2.4
247.20671	5.5
257.18988	9.7
275.20068	100.0
276.20261	4.4
293.11331	2.9
293.21356	16.5
294.20465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	3.9
55.01867	13.0
55.05511	21.5
57.03420	7.2
57.07060	4.5
67.05505	33.5
69.03429	3.9
69.07071	100.0
69.98848	3.9
69.99181	5.1
70.06629	2.9
71.04969	6.5
71.08597	2.9
74.41212	2.8
77.03921	3.2
79.05501	38.8
81.03414	20.3
81.07053	38.0
83.04984	8.8
83.05466	2.8
83.08614	7.7
85.02880	3.8
85.06529	4.5
91.05484	36.0
93.07053	48.5
93.07616	5.2
95.04972	84.1
95.08613	34.4
97.00957	2.4
97.06523	10.1
97.10181	8.6
98.94942	2.6
99.08092	4.4
105.07033	30.6
107.04955	28.9
107.08595	27.7
109.06533	12.1
109.10165	11.4
112.27116	2.6
117.07020	9.6
119.08584	28.4
121.06496	7.1
121.10154	19.6
123.08070	4.6
129.06989	3.8
131.08554	15.9
133.10112	18.7
135.08055	25.9
135.11710	6.8
137.09613	8.3
139.11160	8.2
144.03362	3.3
145.10130	11.2
147.11703	12.2
149.09628	9.7
151.11201	15.5
159.11678	11.5
161.09686	4.8
161.13350	3.9
163.11197	6.2
171.11752	3.3
173.13254	6.1
177.05501	30.2
177.12796	8.1
178.06226	24.0
183.11792	3.3
185.13295	3.9
187.11156	3.7
189.12807	3.0
191.07040	7.5
201.12723	6.5
203.12827	6.6
205.12309	6.3
207.13924	6.6
219.13982	4.7
219.17485	6.9
221.15404	4.0
225.14914	5.1
229.19440	3.3
233.11748	46.7
237.14838	35.2
247.20689	5.1
252.81239	2.8
257.19086	7.6
275.20074	82.2
276.20325	3.3
293.21133	97.8
293.24454	5.4
294.21448	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01875	3.6
55.05506	9.2
57.03448	1.4
57.07074	4.7
61.54916	1.2
67.05506	24.5
69.03429	1.4
69.07066	18.1
71.04955	1.4
71.08597	1.6
79.05488	13.4
81.03421	3.1
81.07053	26.1
83.04993	4.5
83.08611	5.0
87.95132	1.3
91.05476	12.8
93.07038	18.3
94.15768	1.3
95.00179	1.2
95.04961	7.5
95.08604	17.2
97.00975	1.5
97.06532	3.5
97.10162	1.7
98.97607	1.7
105.07025	16.7
107.04942	6.1
107.08604	10.0
109.06519	7.5
109.10179	7.7
111.08108	1.9
117.07014	4.2
119.08575	10.7
120.57722	1.2
121.06490	7.6
121.10140	5.9
123.08061	4.5
123.11704	2.4
127.11066	1.3
129.06946	2.3
131.08577	10.3
133.06529	2.8
133.10126	13.2
135.08055	3.3
135.11694	4.8
137.09613	5.2
139.05049	1.4
143.08540	1.4
145.10107	9.5
147.08051	2.4
147.11685	10.5
149.09676	3.1
149.13258	2.1
151.11195	7.0
157.10197	2.6
159.11696	5.6
161.09677	3.5
161.13242	2.7
163.11180	5.1
169.10201	1.7
171.11641	1.8
173.13310	3.8
175.11134	2.2
177.05496	3.8
177.12724	2.0
187.11217	2.0
191.14375	2.2
197.13298	2.5
201.12813	1.4
207.13843	2.4
219.13802	5.8
233.11763	4.2
237.14981	1.3
238.88820	2.1
239.17990	3.1
247.20599	2.8
257.18979	10.6
268.64368	1.2
275.20056	100.0
276.20404	5.4
293.21091	33.5
294.20923	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	6.5
55.01869	13.7
55.05516	42.8
57.03438	4.2
57.07076	18.5
67.05505	60.7
68.25827	2.1
69.03436	6.7
69.07076	24.0
70.06555	2.7
71.04987	7.8
71.08654	2.8
79.05495	35.0
80.94807	2.3
81.03426	25.3
81.07059	59.6
83.04971	14.2
83.08623	27.8
85.06541	13.9
91.05478	35.9
93.07051	41.4
95.04967	29.9
95.08609	47.6
97.02892	3.6
97.06548	8.5
97.10167	3.7
99.08133	2.8
103.05443	2.2
105.04505	2.3
105.07024	33.8
107.04932	9.9
107.08603	29.7
109.06512	12.5
109.10155	32.8
111.04432	16.8
111.08091	8.7
113.09675	3.2
115.05487	3.2
117.07027	8.9
119.08572	24.0
121.06499	6.2
121.10126	20.5
123.04443	5.9
123.08080	18.5
123.11714	6.4
125.09654	6.6
127.07560	4.3
129.06992	2.2
131.08566	11.5
133.10133	33.0
135.08064	4.1
135.11702	14.9
137.05997	2.4
137.09613	55.2
139.11217	2.1
141.06963	2.8
143.08582	2.7
145.10133	12.9
147.08148	2.9
147.11694	9.2
149.09605	15.3
149.13263	5.8
151.11185	22.4
153.05504	4.5
153.09148	2.6
153.12718	4.2
155.08641	2.6
157.10158	2.5
159.11722	8.6
159.64473	2.3
159.72011	2.0
161.09616	4.0
163.11176	13.8
163.14857	4.6
165.09131	9.5
165.12816	2.6
167.10744	2.6
169.12317	4.1
173.13283	8.4
175.11201	4.4
177.12762	5.4
181.05051	3.0
187.11162	3.5
191.10707	7.9
191.14275	2.5
193.12170	3.4
201.12794	3.3
207.13872	3.8
209.11781	9.5
223.13281	2.7
229.19563	9.0
233.15388	2.5
237.11145	13.6
247.07802	2.7
247.20557	11.1
253.07898	2.1
257.19073	11.9
275.20071	78.5
276.20508	5.9
293.21127	100.0
294.16910	6.1
294.21304	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	2.5
55.01872	11.0
55.05511	23.4
57.03447	2.9
57.07086	1.7
59.04988	1.0
65.03939	2.5
66.62463	0.8
67.05505	46.5
67.78481	0.8
69.03452	2.5
69.07066	26.4
70.06602	1.3
71.04998	2.6
72.55367	0.9
77.03930	1.3
79.05495	45.8
81.03420	8.4
81.07057	60.2
83.04969	6.7
83.08617	13.8
85.06567	3.0
91.05481	32.1
92.08803	0.9
93.07047	28.7
95.04971	15.6
95.08605	28.5
97.06532	17.1
97.10176	11.5
98.98485	1.0
99.08102	1.9
101.05975	1.0
103.05455	1.0
105.04572	0.9
105.07030	37.4
107.04960	10.8
107.08595	47.3
108.08917	1.6
109.06524	17.4
109.10158	13.0
111.08088	5.6
115.05476	1.4
116.52577	1.0
117.07013	9.0
119.08586	27.2
119.09405	1.4
121.06509	5.5
121.10146	15.5
123.04380	0.9
123.08081	8.4
123.11699	5.8
125.09647	9.7
129.07027	2.7
131.08571	14.6
131.09464	1.1
133.06441	1.1
133.10124	25.3
135.08043	6.4
135.11691	9.1
135.12491	0.8
137.09607	6.5
141.07045	1.6
143.08600	3.4
144.09344	1.3
145.06543	1.9
145.10132	15.9
145.11194	1.1
147.08092	1.5
147.11684	14.8
148.99460	1.0
149.09613	17.5
149.13309	4.7
151.11183	11.9
153.09200	0.9
155.08614	1.1
157.10114	4.5
159.11710	9.7
161.09688	1.3
161.13232	5.5
163.11172	12.6
163.14790	1.8
165.09122	5.7
165.12849	3.9
169.10205	2.4
171.11755	3.5
173.09616	1.4
173.11920	1.7
173.13232	6.1
175.11299	2.6
177.12724	4.9
179.14381	2.1
181.12349	1.2
183.11806	3.0
185.13310	0.9
187.11264	3.5
187.14848	2.2
189.11261	6.8
189.12737	1.2
189.16473	1.0
191.14201	1.2
193.12332	1.9
197.13362	3.8
201.12883	1.5
205.16168	1.0
205.94658	0.9
207.14014	1.6
211.14940	1.1
215.18036	2.4
219.13849	1.4
223.13344	1.2
229.19508	5.9
233.19106	1.6
239.17915	8.0
247.20570	6.4
257.18988	12.8
257.21262	1.0
265.21799	2.0
275.20062	100.0
276.20480	5.2
293.16434	1.7
293.21240	33.6
294.17206	2.1
294.20975	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03950	5.8
55.01883	19.0
55.05516	97.5
57.03433	8.6
57.07080	6.3
59.05006	3.2
59.43167	2.0
65.03954	4.4
67.05161	4.4
67.05511	85.2
69.03436	9.6
69.07072	44.8
71.05002	10.1
79.05500	69.7
81.03004	2.1
81.03408	12.6
81.07061	92.7
83.04998	11.5
83.08623	52.9
85.06551	5.8
91.05483	61.2
91.06056	3.1
93.07054	64.8
95.04974	78.3
95.08609	57.9
97.06530	17.3
97.10167	20.6
97.84949	2.4
103.05513	2.7
105.07040	46.5
107.04948	12.4
107.08600	63.3
109.06519	18.2
109.10161	33.0
111.04484	2.7
111.08090	12.8
117.07029	18.6
119.08582	47.3
121.06554	7.1
121.10169	36.7
123.08074	18.3
123.11714	9.6
125.06030	2.3
125.09625	15.9
127.62682	2.8
129.06982	6.2
131.08563	22.5
133.10139	37.8
135.08072	10.3
135.11716	11.8
137.05998	25.7
137.09618	32.2
139.11192	9.5
139.90495	2.6
142.43814	2.4
143.08478	4.0
145.10153	21.2
147.08032	3.6
147.11685	19.1
149.09656	25.3
149.13289	6.1
151.11192	9.7
153.09137	2.7
157.10173	3.5
159.11690	14.5
161.09575	4.4
161.13264	8.8
163.11186	16.5
165.12770	5.1
169.10139	2.9
171.11758	5.4
173.09653	2.5
173.13313	7.6
175.11284	4.6
177.05481	2.5
177.12778	4.0
183.11699	3.0
189.11215	13.5
191.10680	2.6
193.12273	5.6
197.13405	3.2
201.12852	2.6
203.12724	3.3
205.12225	4.9
209.11717	4.1
211.13400	6.9
215.38916	2.4
223.13335	15.7
229.19437	4.4
233.11749	4.0
233.15434	2.8
235.17166	2.2
237.11252	5.5
239.17989	5.5
247.20518	7.0
249.18800	2.4
251.16617	2.3
257.19006	12.9
275.20068	100.0
276.20401	2.9
293.21109	95.1
293.24466	4.5
293.27829	4.7
294.16940	4.9
294.21262	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	3.7
53.81189	0.8
55.01875	6.5
55.05510	36.4
55.05780	1.7
57.03440	5.5
57.07056	3.3
59.05002	1.0
65.03929	2.7
67.05504	46.4
69.03422	4.0
69.07067	35.7
69.69686	1.1
69.70026	3.3
71.04997	6.0
77.03925	1.0
79.05490	43.1
79.05950	2.1
80.05780	1.1
81.03413	6.8
81.07057	100.0
82.07367	2.3
82.77022	0.9
83.04973	6.1
83.08624	22.7
85.06530	3.5
88.37902	1.0
91.05478	30.2
93.07044	29.2
93.97688	1.0
94.04179	1.1
95.04967	26.5
95.08607	31.2
97.06517	6.9
97.10150	4.2
99.08078	2.2
100.29341	1.0
105.04539	1.4
105.07033	33.8
107.04980	5.9
107.08595	20.4
109.06517	22.2
109.10144	14.2
111.04494	1.1
111.08102	6.7
113.06043	1.0
117.07014	7.5
119.08576	32.8
121.06491	4.6
121.10147	15.5
122.03653	2.2
123.04404	1.2
123.08065	18.0
123.11700	9.2
125.09621	3.4
129.06989	3.5
131.08560	11.9
131.09483	1.4
133.06407	1.3
133.10127	18.8
134.10471	1.7
135.08087	4.9
135.11707	5.6
137.05974	32.6
137.09589	8.4
137.13197	1.2
139.11166	2.3
141.06979	1.1
143.08569	1.7
145.06390	1.2
145.10132	12.5
147.08044	1.8
147.11693	20.0
149.09631	10.6
149.13297	4.4
151.11163	4.0
155.08542	1.5
157.10132	3.4
159.07979	1.3
159.11693	9.1
161.09608	1.2
161.13246	4.0
163.11177	6.9
163.14818	1.4
165.09013	1.1
165.12752	6.0
171.11679	2.7
173.09610	1.0
173.13251	6.1
175.11174	3.4
175.14851	1.6
177.05495	1.1
177.12747	2.3
183.11713	1.5
185.13321	2.0
187.11188	1.2
187.14786	1.5
189.12738	1.9
191.10576	1.5
191.14284	2.3
193.12260	3.1
195.13997	1.0
197.13271	3.2
201.12737	2.7
201.16310	1.4
207.13745	1.2
211.13298	2.1
219.13834	1.8
219.17464	2.3
223.13327	2.7
229.19513	2.3
233.18935	1.2
237.11131	1.7
237.14905	2.0
239.17888	4.1
247.20552	2.8
251.16458	1.2
257.18985	9.0
265.21655	1.3
275.20059	59.3
276.20325	1.8
293.21075	36.6
294.17062	1.5
294.21033	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03947	2.9
55.01876	59.8
55.05513	34.2
57.03436	4.4
57.07082	7.8
58.43465	1.6
67.05506	44.1
69.03432	3.0
69.07067	23.9
69.39001	6.2
71.04993	4.2
71.08620	2.2
79.05498	61.3
81.03415	6.6
81.07059	59.0
83.04989	12.4
83.08609	13.1
85.06554	1.9
91.05481	30.0
93.07047	33.0
95.04967	21.3
95.08613	21.3
97.06532	100.0
97.10178	11.8
98.23396	4.1
99.08076	2.4
105.07029	25.8
105.07656	2.7
107.04955	32.5
107.08600	38.9
107.09338	1.9
107.24309	1.7
109.06530	12.3
109.10160	19.1
111.04467	5.6
111.08064	3.4
117.07037	11.0
119.08589	19.5
121.06529	4.6
121.10148	15.3
123.04517	1.7
123.08089	6.0
123.11732	6.6
125.09630	17.3
131.08559	11.3
133.10103	17.7
135.08055	5.1
135.11705	5.2
137.09641	5.9
139.07567	4.1
145.10083	9.0
147.08102	2.7
147.11671	9.9
149.09628	41.5
149.13292	5.3
151.11189	10.4
153.05516	2.0
153.09038	2.4
159.11705	8.1
159.66066	1.7
161.13268	5.4
163.11195	11.4
163.14816	3.5
165.09111	3.2
169.12323	2.1
173.11859	2.9
173.13303	5.6
175.11209	1.9
177.12740	4.0
179.14355	8.1
181.04965	3.3
187.11255	2.6
189.11247	11.5
191.14304	2.2
209.11783	8.0
209.15482	3.8
229.15556	2.0
229.19514	5.0
237.11217	14.7
239.17947	2.6
247.20467	8.5
257.19009	12.4
261.09048	2.0
273.58377	1.9
275.20068	89.7
276.20383	5.9
293.11844	2.2
293.21240	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03952	3.9
55.01879	9.4
55.05515	24.2
57.03433	6.7
57.07077	19.6
59.75254	1.2
60.08399	1.1
65.03941	1.6
67.05511	53.8
69.03434	3.3
69.07071	21.6
69.76598	2.1
69.76951	3.5
71.04995	4.5
71.08633	5.7
77.57510	1.2
79.05499	31.9
81.03424	15.4
81.07062	53.5
83.04987	12.3
83.08625	13.5
85.06525	6.7
85.10187	3.6
88.56715	1.2
91.05487	23.2
93.07048	33.5
95.04971	31.6
95.05534	2.5
95.08612	41.1
97.02881	2.2
97.06548	7.0
97.10168	4.7
99.04459	3.8
99.08132	3.5
101.06017	1.3
105.04489	1.6
105.07040	25.5
107.04939	8.6
107.08598	24.5
109.02913	1.3
109.06526	10.8
109.10171	21.5
111.04456	19.5
111.08083	5.0
113.09660	2.3
117.07014	6.7
119.08578	16.0
121.06527	6.1
121.10138	14.7
123.04453	3.7
123.08100	9.2
123.11740	7.8
125.06017	3.0
125.09652	3.6
129.07028	1.6
131.08580	12.3
133.06461	2.5
133.10127	19.5
135.08038	3.2
135.11697	13.2
137.09615	24.2
137.13264	1.6
138.09837	1.3
139.11169	2.1
143.08546	1.9
145.06467	1.6
145.10138	10.8
147.11691	7.5
149.09602	12.2
149.13290	6.2
151.11189	16.6
153.05470	2.0
153.09171	1.7
153.12732	5.1
157.10117	3.1
159.08090	1.6
159.11699	6.3
161.13298	3.5
163.11223	11.4
163.14856	5.1
163.98129	1.3
165.09152	6.9
165.12787	2.7
167.10698	4.6
169.10109	1.6
169.12227	2.1
173.09724	2.1
173.13272	4.3
175.11176	2.1
177.05467	1.4
177.12750	5.1
179.10664	2.4
181.04980	4.2
181.12299	2.4
183.10240	3.1
185.13277	2.4
187.11241	1.6
191.10707	5.2
191.14339	2.7
193.12221	2.0
201.16486	1.5
203.14359	1.8
209.11678	10.5
219.13982	1.8
219.17456	23.1
219.20950	1.5
223.13332	5.6
229.19525	5.4
237.11229	18.9
241.64308	1.4
242.52803	1.3
247.20566	11.6
257.19055	8.1
265.21494	6.3
275.20090	50.9
276.20471	2.3
293.11923	2.7
293.21158	100.0
294.17218	1.4
294.21353	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.25338	1.7
55.01872	1.7
55.05515	12.3
57.07076	8.8
65.03944	3.9
67.05506	92.7
67.05868	4.6
69.03408	2.4
69.07072	12.3
79.05491	18.8
81.03442	3.1
81.07059	100.0
83.05003	2.6
83.08611	8.8
85.06551	3.0
91.05477	8.5
93.07045	17.9
95.04993	9.0
95.08604	75.9
97.06558	3.3
97.10166	3.3
99.08117	2.6
101.06003	2.0
105.07033	7.8
107.08582	11.2
109.06532	2.8
109.10150	32.8
111.04423	2.5
111.08057	3.1
117.07014	3.3
119.08579	3.7
121.10155	10.5
123.08067	8.2
123.11689	14.0
131.08580	6.1
133.10118	5.1
135.08083	2.4
135.11710	6.4
137.09613	4.3
137.13263	7.5
145.10120	5.8
147.11708	3.0
149.09633	4.5
149.13272	5.1
151.11154	10.6
151.14865	2.6
159.11693	5.5
161.13176	2.1
163.11249	4.5
163.14862	4.1
165.12787	2.6
165.16438	2.2
173.13316	5.5
173.72635	1.8
177.12775	2.4
177.16313	2.9
181.04967	3.0
187.14818	2.9
191.10660	3.2
191.14217	2.4
193.08627	2.0
205.15810	2.0
208.15555	1.8
209.11746	6.1
214.87669	2.1
237.11211	11.7
243.21063	6.6
261.22131	7.8
267.91147	1.8
275.20148	3.9
285.88660	1.6
292.77066	1.8
293.21063	15.2
293.24722	12.2
294.21054	2.3
311.30035	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03945	1.6
55.05508	10.6
57.07072	4.7
65.03934	2.2
67.05504	94.1
68.05831	1.3
69.07072	11.9
71.20580	1.6
79.05495	14.1
81.07056	100.0
82.07441	1.3
83.04972	2.5
83.08620	6.8
85.06544	3.9
85.95054	0.9
91.05476	6.6
93.07041	13.6
95.04963	2.1
95.08605	90.7
96.08919	1.8
97.06505	2.4
97.10165	4.3
99.08111	1.6
101.06038	1.7
105.07033	4.3
107.08595	9.8
109.06558	1.8
109.10157	36.3
111.08071	1.5
111.98250	1.0
117.07020	2.6
119.08595	4.0
121.10147	9.4
123.08059	2.7
123.11715	21.6
125.09660	1.4
131.08566	7.9
133.10141	4.6
135.08096	1.3
135.11684	7.0
137.09599	2.6
137.13248	12.1
145.10138	3.6
147.11671	3.9
149.02412	1.3
149.09628	4.1
149.13275	5.4
151.11168	1.4
151.14844	4.8
159.11681	3.4
161.13269	3.8
163.11223	1.8
163.14835	3.4
165.12766	1.3
165.16432	1.9
173.13258	6.4
177.12764	4.1
177.16422	2.3
179.14281	1.4
182.80467	1.1
186.93315	1.0
187.14821	4.6
191.10622	1.2
191.14297	2.7
205.15988	1.6
209.11737	3.1
209.15387	1.6
223.16934	1.7
237.11263	5.5
237.18398	1.6
243.21097	9.6
261.22137	9.4
293.24725	19.7
294.17032	3.1
294.25015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2477
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03959	2.1
55.05511	10.5
57.07081	5.5
60.84483	1.6
65.03957	3.2
67.05508	97.2
68.05830	2.1
69.07086	9.1
70.85777	1.9
71.08649	2.7
79.05504	15.1
81.03418	2.1
81.07061	100.0
82.07343	1.6
83.04981	4.0
83.08627	6.2
85.06558	4.3
91.05484	6.5
93.07045	17.0
95.04971	7.2
95.08607	82.6
97.06519	2.3
97.10188	3.3
99.08156	2.6
101.06019	1.9
105.07075	4.3
107.08597	10.1
109.06528	2.3
109.10165	31.1
111.08080	1.6
117.07043	2.3
119.08584	5.6
121.10132	7.7
123.08022	1.9
123.11710	18.2
127.15900	1.5
131.08592	5.8
131.92726	1.5
133.10152	4.8
135.11700	8.5
137.09604	3.4
137.13258	10.6
145.10162	4.9
147.11694	5.3
149.09694	4.1
149.13263	4.5
151.11191	17.8
151.14835	5.8
152.11522	2.1
159.11702	5.2
161.13272	3.0
163.11220	4.1
163.14844	3.9
165.12700	1.9
173.13292	6.6
177.12779	4.2
177.16335	2.6
187.14813	2.3
191.14359	3.2
205.15944	2.3
209.11728	3.0
219.21169	2.2
223.17010	1.8
237.11339	7.7
243.21024	7.3
261.22198	6.8
275.20166	4.6
284.48892	1.7
293.21149	11.9
293.24817	19.9
294.17032	1.7
294.20880	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	294.2065
Annotation	Pramoxine
Peak:m/z	Relative Intensity
55.01868	0.5
55.05510	0.8
56.05025	0.4
56.08200	0.2
58.72262	0.3
63.78137	0.3
67.05504	2.4
69.03413	1.1
70.06600	1.4
71.04988	0.7
79.05485	1.0
80.05030	0.3
81.07042	1.0
82.06576	0.3
84.08141	2.9
91.05458	0.8
93.07044	1.0
94.06562	0.4
95.04948	0.3
95.08595	1.1
96.08128	1.0
97.91221	0.3
98.09666	0.3
98.22694	0.6
99.04430	0.3
100.07607	0.5
105.07047	0.6
107.08582	0.8
108.08085	0.4
109.10147	1.0
110.09700	0.9
112.07616	0.4
117.07021	0.4
119.08587	0.8
120.08133	0.5
121.10133	0.3
122.09702	1.3
124.11256	0.5
132.08083	0.4
133.10091	0.4
134.09641	1.3
136.11221	1.2
137.12003	1.2
138.12769	0.4
142.08672	0.5
145.10175	0.6
146.09610	0.3
148.11247	0.6
150.09138	0.8
150.12819	0.5
152.10732	0.4
156.61478	0.3
160.11232	1.0
162.12819	1.5
163.13428	0.5
164.14308	0.4
168.10248	0.5
174.12820	0.4
178.12230	0.7
182.11768	0.8
188.14294	0.4
190.15959	0.4
194.15352	0.7
201.61002	0.3
208.16904	0.4
220.16945	4.6
234.14909	1.1
236.16451	6.4
248.20056	0.4
250.14374	0.4
250.17889	0.5
276.19565	6.1
292.19019	0.4
294.20627	100.0
295.20996	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	294.2064
Annotation	Pramoxine
Peak:m/z	Relative Intensity
55.01870	0.6
55.05511	0.7
56.05027	0.5
57.03429	0.6
59.04993	0.7
67.05498	0.9
68.71793	0.2
69.03420	0.9
69.07058	0.4
69.79111	0.2
70.06596	0.3
71.04979	0.4
72.54942	0.2
73.58774	0.2
77.03937	0.2
79.05489	1.3
80.05016	1.1
81.07045	0.8
82.06593	1.0
84.08127	0.5
91.05480	0.9
93.07063	1.5
94.06564	1.2
95.04984	0.3
95.08595	0.4
95.16367	0.2
96.08121	0.5
97.06529	0.4
98.23533	0.5
98.58530	0.2
100.07589	1.5
105.07008	0.6
107.08597	0.5
108.08089	0.6
109.08897	0.3
110.09682	8.2
111.08121	0.2
112.07617	0.3
117.07022	0.3
119.08598	0.4
120.08131	1.0
122.09677	1.7
124.11226	0.6
125.06010	0.5
127.11177	0.3
128.07021	0.3
131.08542	0.5
133.10191	0.2
134.09645	2.9
136.11267	1.6
137.11981	0.6
145.10124	0.4
146.09628	0.3
148.11200	1.5
149.11993	0.5
150.09122	1.0
150.12718	0.5
150.75859	0.2
160.11223	0.5
162.12787	4.5
163.13512	0.4
168.10156	0.6
174.12772	0.5
176.10689	0.5
177.15158	0.3
178.12369	0.2
182.11841	0.4
188.14304	0.8
190.15894	0.4
194.11794	0.4
202.15790	0.3
208.13257	0.2
208.17038	0.3
218.15228	0.3
220.17023	1.5
228.51743	0.2
234.14888	0.8
236.16446	9.9
237.16708	0.3
248.16347	0.3
258.18536	0.3
270.76477	0.2
276.17239	0.3
276.19650	2.6
294.20633	100.0
295.20969	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	294.2064
Annotation	Nobilonine
Peak:m/z	Relative Intensity
55.01862	0.7
55.05514	1.7
65.03951	0.5
67.05162	0.5
67.05506	8.7
68.05042	0.4
69.03432	0.8
69.07059	0.4
70.06609	0.5
71.04997	0.4
79.05497	2.0
79.37115	0.3
80.05025	1.5
81.07054	2.5
82.06577	0.9
83.04974	0.4
83.07381	0.3
83.28243	0.3
84.08127	1.3
91.05495	1.5
93.07034	1.8
94.06561	1.4
95.07285	0.3
95.08611	2.4
96.08128	1.8
97.06522	0.3
98.23520	0.5
99.04475	0.4
105.07021	1.2
107.08604	1.5
108.08102	1.3
109.10155	2.0
110.09698	1.7
112.07616	0.3
119.08554	0.7
120.08120	0.6
121.10171	0.5
122.09669	6.4
124.07600	0.5
124.11224	1.0
125.09650	0.5
130.19456	0.3
131.08585	0.4
131.21219	0.3
133.10118	0.8
134.09619	1.6
135.11682	0.4
136.11218	1.2
137.12022	1.7
138.09166	0.4
142.08636	1.2
146.09625	0.5
147.11708	0.4
148.11214	1.6
150.09138	4.2
150.12756	0.8
152.10706	1.3
156.10242	0.5
157.10072	0.5
162.12816	0.9
168.10199	3.8
170.11765	0.5
174.12808	1.1
176.14413	0.9
182.11790	5.2
188.14374	0.7
194.11778	0.7
197.24104	0.3
202.15918	1.1
204.13742	0.4
208.13400	0.5
220.13409	0.3
220.16983	3.5
222.14932	0.6
234.14815	0.5
236.16406	0.3
245.03300	0.3
248.16388	0.6
248.20119	0.3
276.19592	16.3
277.19867	0.6
294.20636	100.0
295.20917	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	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05516	1.4
56.05024	0.4
57.03432	0.2
58.26177	0.2
65.03917	0.4
67.05502	8.4
68.05017	0.3
69.03424	0.6
69.07050	0.4
70.06596	0.5
71.04987	0.5
71.43233	0.2
71.44612	0.2
79.05487	1.6
80.05014	1.5
81.07054	2.4
82.06582	0.5
83.04962	0.6
84.08148	2.0
85.02888	0.6
91.05477	1.3
93.07026	1.7
94.06558	1.3
95.08607	3.4
96.08131	1.3
97.02912	0.4
97.06493	0.3
99.04449	0.5
100.07616	0.3
105.07052	1.1
107.07362	0.3
107.08571	1.2
108.08090	0.7
109.06506	0.2
109.08910	0.3
109.10175	1.3
110.09681	1.3
114.09094	0.2
115.03940	0.5
119.08602	0.7
120.08101	0.9
122.09661	4.7
123.09988	0.2
124.07539	0.2
124.10399	0.2
124.11236	0.8
125.06004	0.8
125.09605	0.7
126.09109	0.3
131.08525	0.4
132.08096	0.2
133.10107	0.6
134.09631	1.3
135.10405	0.3
136.11200	1.7
137.11987	1.4
138.12708	0.4
142.08633	1.0
145.04941	0.2
146.09627	0.4
147.11670	0.3
148.11188	1.2
150.09138	3.1
150.12799	0.5
152.10732	1.0
154.12244	0.5
156.10249	0.3
159.11678	0.2
160.11128	0.5
162.12794	1.2
164.10678	0.6
164.14352	0.9
166.08629	0.2
168.10207	2.4
170.11755	0.5
171.11632	0.2
174.12785	0.8
176.14360	0.6
177.15163	0.3
180.10117	0.3
182.11766	3.7
183.12007	0.5
188.14360	0.9
194.11774	0.7
194.15309	0.3
202.15901	1.1
204.13876	0.4
208.13382	0.3
220.13475	0.4
220.16908	2.6
222.14934	0.3
234.14868	0.5
236.16519	1.1
248.16434	0.3
248.20087	0.8
250.18155	0.3
276.19583	14.3
277.19815	0.5
294.20621	100.0
295.20926	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	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.23732	0.2
55.05495	0.3
57.07067	0.4
67.05482	0.8
69.34637	0.4
69.35025	0.5
70.06589	0.3
71.08633	0.4
77.03928	0.3
79.05488	0.7
81.07047	1.8
83.08633	0.3
91.05476	0.4
93.07089	0.2
94.04187	1.3
95.08609	0.3
107.04932	0.3
107.08601	0.2
109.06521	0.4
121.10110	0.2
122.03645	6.1
123.11718	1.4
124.99960	0.2
137.05969	100.0
138.06314	2.5
139.11166	0.3
141.12743	0.3
158.15387	1.3
170.15388	2.3
238.11534	0.2
244.37422	0.2
277.21594	0.3
294.17117	0.4
294.20844	1.5
295.22647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05498	0.4
56.55945	0.2
57.07065	0.9
67.05498	0.9
67.92450	0.2
68.02765	0.2
69.07075	0.3
69.78799	0.5
69.79179	0.5
71.08636	1.0
77.36602	0.2
78.74463	0.2
79.05479	0.8
79.07198	0.2
81.07053	1.2
83.08606	0.2
91.05475	0.9
92.40540	0.3
93.07042	0.4
94.04181	1.3
95.04950	0.5
95.08603	0.5
102.09184	0.3
105.07031	0.3
106.28855	0.2
107.04918	0.5
107.08588	0.3
109.06530	0.3
119.08601	0.3
122.03646	5.1
123.11623	0.2
133.10017	0.2
137.05971	100.0
138.06328	1.8
140.58376	0.2
141.12718	2.4
146.06813	0.3
158.15405	1.5
170.15436	0.4
232.05090	0.2
245.02263	0.2
259.20560	0.2
267.18799	0.2
277.21600	0.8
294.17026	0.4
294.20648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
53.69878	0.2
57.03432	0.4
57.07065	0.2
61.02913	0.2
65.03931	0.4
66.04854	0.2
69.03423	0.8
70.06572	0.6
71.04975	0.3
73.02911	0.4
74.02437	0.7
79.05489	0.2
81.03432	0.3
84.08148	1.1
85.02892	1.1
85.08463	0.4
86.09707	4.4
87.00819	0.3
91.05477	21.1
92.05807	0.2
97.02883	0.5
99.04437	0.2
102.92638	0.2
105.01846	0.2
107.04955	0.7
109.06511	0.6
112.38120	0.2
115.03917	0.4
117.09130	0.3
118.06553	1.4
119.04939	15.7
120.05333	0.3
120.08102	0.8
121.06504	3.1
122.09677	0.3
127.03881	0.4
130.08618	0.6
132.10175	1.9
133.04980	0.2
136.07570	100.0
137.07916	2.6
144.15071	0.2
145.04951	0.2
147.04384	0.7
150.07751	0.2
150.09113	0.2
151.03897	0.4
161.10748	0.5
164.14288	0.2
168.10165	0.3
176.28406	0.2
183.12009	0.3
204.13988	0.2
209.12186	0.2
236.12766	0.4
249.16029	1.4
250.14410	0.7
277.19946	0.3
278.13855	1.3
278.17087	0.5
295.16571	7.8
295.20950	10.2
296.18619	4.7
296.21954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03948	2.3
55.01622	1.7
55.01873	25.5
55.05510	48.2
56.05841	1.4
57.03433	4.5
57.07070	7.9
59.04980	1.6
63.39066	0.7
65.03923	3.1
65.04873	0.8
65.21515	0.9
67.05502	80.6
67.60611	0.8
68.45032	0.9
69.03418	5.4
69.03745	0.9
69.07067	27.7
71.04987	4.8
71.08630	48.3
72.08949	0.9
73.06550	1.3
77.03920	0.9
79.05489	45.8
81.03416	12.9
81.07054	70.5
83.04975	16.9
83.08617	32.7
85.06557	6.9
85.10168	5.6
91.05479	37.2
91.06056	1.7
93.07040	48.0
94.07357	0.9
95.04965	18.8
95.08603	38.8
97.05955	1.6
97.06527	15.9
97.10164	24.8
99.08094	38.8
101.06020	1.0
101.09666	1.0
104.89326	0.9
105.04517	1.8
105.07026	29.4
107.04951	5.1
107.08589	33.1
108.08878	1.0
109.06522	7.7
109.10155	22.3
111.08079	25.7
112.26962	1.1
113.09623	7.7
115.05457	1.2
117.07034	6.6
119.08574	20.9
121.06468	1.9
121.10139	20.7
123.08070	7.0
123.11710	8.3
125.09628	21.7
127.11214	1.8
129.06970	5.1
131.08543	6.7
133.10138	20.2
135.08038	2.8
135.11684	16.9
137.09608	6.5
137.13260	1.8
139.07521	1.8
139.11166	6.5
141.09093	1.0
141.12711	1.1
143.08554	2.7
145.10101	8.1
147.08018	1.2
147.11684	23.2
148.12041	0.9
149.09636	4.6
149.13261	13.4
151.11174	37.1
152.11658	0.9
152.60957	0.9
153.09113	2.2
153.12761	2.9
157.10104	3.5
159.11687	3.8
161.09630	2.3
161.13264	16.2
163.11186	15.7
163.14828	3.9
165.12749	15.5
166.18480	1.0
167.14302	1.5
169.12267	1.8
171.10310	1.3
171.11717	4.7
173.13249	3.3
175.11198	3.7
175.14813	3.9
177.12755	2.6
179.10744	1.0
179.14299	14.7
181.12224	2.8
185.13260	3.1
187.14882	0.9
189.11244	14.0
189.12775	3.1
191.14178	0.9
193.12328	1.5
193.15834	2.1
195.13788	1.9
199.14790	2.8
207.13728	2.6
213.16483	1.3
215.50954	0.9
217.16095	1.1
217.19572	1.4
221.15372	4.1
231.17456	1.2
231.21114	4.0
235.16982	2.1
241.19460	7.3
249.22078	5.7
259.20584	13.1
260.20810	1.3
272.75735	0.8
277.21619	100.0
278.22006	5.2
295.22681	42.0
296.22879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03934	4.1
55.01869	6.8
55.05512	25.6
57.03439	4.5
57.07077	12.0
57.63854	1.4
65.03921	1.6
67.05505	29.2
69.03415	8.6
69.07072	10.4
71.04989	4.7
71.08643	1.8
71.43050	1.1
73.56669	1.3
79.05496	25.5
81.03419	100.0
81.07054	29.8
83.04985	27.7
83.08621	39.8
84.09024	1.8
85.06541	2.4
85.10181	10.4
91.05480	27.6
93.07043	19.4
95.04971	35.2
95.08614	13.0
97.02905	3.4
97.06535	4.5
97.10199	7.1
99.08107	1.9
105.07034	21.7
107.04976	5.9
107.08583	13.0
109.06520	5.9
109.10152	5.6
111.08083	18.1
117.07108	1.4
119.08575	14.7
121.06506	1.8
121.10124	11.8
123.08056	3.7
125.09647	2.3
129.06999	11.6
131.08568	13.1
133.06471	2.7
133.10123	10.4
135.11702	4.3
137.09634	2.5
142.07742	1.9
145.10188	2.8
147.08072	2.3
147.11678	12.8
149.09633	8.1
149.74240	1.5
151.11195	1.7
157.10123	15.0
165.12761	4.2
166.12981	1.4
167.14264	1.7
175.11186	24.6
181.10159	1.5
193.12247	95.8
194.12628	3.6
200.75204	1.3
211.13286	84.5
212.13608	2.1
233.22739	4.5
261.22137	3.0
277.21677	6.8
279.23132	2.9
295.17358	3.1
295.22757	5.3
296.18326	14.2
296.25839	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03954	2.6
55.01873	4.1
55.05513	30.7
57.03434	2.2
57.07078	17.1
67.05155	2.6
67.05508	31.7
68.99286	1.6
69.03437	1.5
69.07071	16.0
70.07399	1.5
71.05008	2.4
71.08633	8.0
73.06554	4.7
77.76379	1.5
79.05504	27.7
81.03421	3.5
81.07059	35.6
83.04978	11.1
83.08629	9.4
85.06545	1.8
91.05482	15.9
93.07057	30.1
95.04989	12.3
95.08608	29.7
97.06541	17.0
97.10165	8.2
99.08098	5.9
105.07043	16.5
107.04987	1.6
107.08611	23.0
109.06524	9.3
109.10165	13.8
111.08112	2.4
113.09646	2.6
117.07062	3.4
119.08613	15.4
121.06496	2.2
121.10150	14.3
123.06311	1.6
123.08069	4.3
123.11721	7.6
125.09635	2.1
127.11221	5.0
129.07039	3.1
130.52849	1.7
131.08572	4.8
133.10172	11.3
135.11699	11.3
137.09593	3.1
137.13298	3.4
139.11249	1.7
143.08592	4.2
145.10025	1.9
147.11739	8.4
149.13258	6.5
151.11224	3.3
153.12729	3.3
159.11639	2.9
161.13287	11.3
163.14847	5.0
165.12779	15.6
167.14267	1.8
169.12207	2.3
171.11702	5.0
175.14796	6.2
177.16365	4.5
179.14378	10.6
181.12263	9.3
185.13248	2.7
189.12787	2.9
189.16353	2.1
193.15849	3.4
207.13818	7.0
221.11633	1.6
225.14821	2.0
231.21118	10.7
241.19615	9.9
247.20708	1.9
249.22112	17.2
259.20602	21.1
260.20883	2.0
277.21655	100.0
278.21939	5.3
279.23257	12.5
286.48511	2.1
295.13049	3.2
295.17685	1.9
295.22971	14.5
295.27991	1.8
296.25894	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.39074	1.3
50.83834	1.8
52.74404	1.2
53.03940	2.8
55.01640	1.5
55.01867	6.7
55.05506	25.1
57.03437	4.6
57.07073	14.4
67.05504	56.2
68.84098	1.3
69.03442	2.4
69.07062	23.6
69.26405	1.4
70.06232	2.5
70.06540	2.1
71.05004	3.9
71.08630	42.7
77.03948	1.6
79.05489	50.1
81.03407	7.9
81.06564	2.0
81.07054	59.7
83.04988	14.3
83.08622	18.7
85.06538	4.2
91.05479	24.9
93.07040	66.0
95.04965	10.7
95.08606	43.1
97.06535	11.1
97.10176	6.6
99.08092	39.7
99.08727	2.6
101.65231	1.4
105.04527	2.3
105.07018	17.3
107.04972	6.0
107.08592	37.9
109.06516	4.9
109.10159	16.6
111.08054	3.9
113.09660	3.4
117.06985	3.4
119.08598	15.4
121.10141	41.0
123.08105	3.0
123.11714	4.1
127.11176	3.3
129.07033	1.7
131.08574	5.0
133.10126	11.0
135.11688	51.6
137.09650	3.9
137.13251	2.6
139.07526	2.6
139.11159	2.4
141.09096	3.0
143.08600	2.1
145.10146	4.2
147.11699	3.5
147.41409	1.4
149.13248	12.7
151.11171	15.8
151.14832	3.1
153.12737	3.0
156.10204	2.0
159.11684	5.5
161.13242	13.2
163.11153	6.7
163.14803	3.9
165.12715	1.6
167.10777	2.6
167.14331	4.0
169.12236	2.4
171.11678	1.7
173.13269	2.5
177.12743	3.0
179.14299	100.0
180.14655	2.0
181.12173	2.3
185.13327	1.5
189.12717	3.1
195.13872	2.4
203.14359	1.8
221.15398	3.7
233.22629	13.6
235.16898	4.6
235.87526	1.6
243.21085	4.4
259.20490	3.3
261.22223	6.5
277.21616	47.8
278.21933	2.9
279.23169	13.1
295.22668	2.4
296.18188	1.7
296.25836	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03941	16.6
55.01867	7.5
55.05511	33.6
57.03438	4.1
57.07078	18.2
67.05164	3.3
67.05504	58.5
69.03424	5.6
69.07072	37.2
69.18510	2.0
71.04986	5.1
71.08630	5.5
72.23544	2.5
77.03914	2.4
79.05046	2.6
79.05495	38.0
81.03419	100.0
81.07056	60.1
83.04983	29.0
83.08622	28.1
85.06533	4.1
85.10181	11.3
91.05484	31.8
93.07044	37.6
95.04971	43.8
95.05521	1.8
95.08616	21.1
97.06525	6.0
97.10159	8.1
99.08098	3.7
105.07034	26.8
107.04977	4.9
107.08598	21.0
109.06527	12.2
109.10158	16.9
111.08094	14.4
113.09641	3.2
119.08604	17.7
119.36843	1.9
121.06519	3.9
121.10151	14.8
123.08070	3.0
123.10867	2.1
123.11700	8.1
125.09614	8.9
129.06995	8.9
131.08560	10.5
132.56142	2.0
133.10115	18.8
135.08067	4.9
135.11705	6.9
136.17677	1.8
137.09671	2.7
141.12679	2.3
145.10129	2.8
147.08064	3.3
147.11684	15.3
149.09605	4.6
149.13237	8.3
151.11188	30.6
153.09090	2.4
157.10117	9.7
161.13232	11.7
165.12740	9.8
175.11163	15.4
175.14810	2.7
179.14355	4.3
193.12254	53.7
207.13844	2.6
211.13289	45.6
228.80095	2.4
231.21057	7.9
241.19547	5.6
249.22009	2.7
259.20483	6.9
277.21634	72.0
279.23123	2.8
295.17288	3.6
295.22690	7.7
296.18628	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01873	5.6
55.05506	30.0
55.55951	2.5
57.03435	5.8
57.07070	7.9
67.05157	5.5
67.05505	75.0
69.03434	3.6
69.07059	31.2
71.04995	10.0
71.08634	100.0
79.05489	44.8
79.79706	3.0
81.03425	8.0
81.07061	65.3
83.04992	12.4
83.08617	13.2
85.06531	5.6
91.05486	33.4
93.07041	71.7
95.04967	12.8
95.08611	79.3
97.06541	15.1
97.10160	11.4
99.08095	93.8
105.07029	25.3
107.04936	5.6
107.08588	26.9
109.10149	13.9
109.45056	3.3
111.08080	6.9
113.08939	3.4
117.07013	11.7
119.08610	20.9
121.06454	2.9
121.10141	34.5
123.08064	3.9
123.11745	4.5
125.09657	3.9
129.06973	4.4
131.08571	11.7
133.06477	21.2
133.10126	20.2
135.11700	26.1
137.05975	3.7
137.09630	6.0
137.13298	3.2
139.07494	6.3
139.11145	8.5
143.08562	3.7
145.10147	14.8
147.11711	10.3
149.09625	5.2
149.13278	7.3
151.11186	67.7
152.11554	3.6
157.10159	4.1
159.11722	8.4
161.13252	30.7
163.11183	31.6
163.14796	4.9
171.11714	8.0
173.13257	2.9
175.14832	5.9
177.12726	4.0
179.14310	23.6
185.13358	3.9
189.12845	3.1
199.14856	5.1
200.92871	3.7
203.12836	5.4
221.15358	3.7
241.19496	12.5
255.92786	3.2
259.20599	23.7
277.21634	82.7
278.21753	3.8
279.23080	3.1
285.51608	2.8
295.22781	8.5
296.18542	4.9
296.22406	4.8
296.25708	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	295.2271
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	5.0
55.01879	20.0
55.05513	64.5
57.03436	10.3
57.07080	13.0
59.04984	2.8
67.05507	96.0
69.03431	10.7
69.07069	58.4
71.05001	11.9
71.08635	17.5
72.92173	2.8
79.05493	65.4
79.25778	3.1
81.03427	8.5
81.07058	100.0
82.07402	3.3
83.04986	28.3
83.08618	29.1
85.02859	3.8
85.06544	9.2
85.10161	3.3
91.05479	53.3
92.05759	2.8
93.07047	80.1
95.04955	22.7
95.08608	60.3
96.08973	3.9
97.06527	20.0
97.10183	14.8
98.23431	7.7
99.08086	18.1
102.83015	3.3
105.07051	33.0
107.04949	3.7
107.08596	30.9
109.06517	11.1
109.10169	23.1
111.08047	14.1
111.11769	3.7
116.98634	3.0
117.07017	9.3
119.08584	24.3
121.06493	3.7
121.10143	27.3
123.08069	7.7
123.11694	7.5
125.09657	10.1
129.07007	9.0
131.08574	11.1
133.06503	9.6
133.10118	33.6
135.11716	20.1
137.09599	3.6
137.13272	6.1
139.11197	25.8
143.08571	5.8
145.10175	5.1
147.11714	18.5
149.09604	5.0
149.13269	15.2
151.11183	14.2
153.12796	3.9
157.10146	9.4
159.11702	7.6
161.13284	12.4
163.11205	7.3
163.14998	3.1
165.12752	11.6
171.11682	7.5
173.13225	5.0
175.11232	9.2
175.14861	6.3
179.14326	6.4
185.13252	4.5
193.12213	8.5
195.13795	5.0
231.21107	5.2
241.19560	6.5
249.22322	4.0
259.20572	8.5
277.21652	75.4
278.21732	3.4
280.13107	2.7
295.17587	5.0
295.19925	4.3
295.22772	73.0
296.18610	14.4
314.96924	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03944	12.6
55.01871	9.2
55.05505	37.8
57.07076	18.0
65.71904	5.0
67.05503	60.8
69.03443	5.3
69.07064	57.9
71.08627	9.3
72.21896	4.9
79.05496	48.1
81.03413	66.8
81.07054	69.3
83.04992	16.7
83.08620	22.6
91.05502	25.2
93.07038	67.1
95.04974	31.9
95.08606	36.9
95.92984	5.3
97.10181	17.4
104.99277	9.1
105.07034	27.8
107.08592	47.3
109.06544	11.1
109.10177	22.7
119.08605	9.4
121.10152	44.5
123.11691	6.4
125.09655	9.8
131.08589	13.7
132.28481	5.8
133.06516	6.7
133.10153	20.8
135.07993	6.1
135.11722	15.6
141.12685	6.0
147.11699	12.4
149.09641	9.9
149.13283	16.4
151.11188	33.2
153.09041	5.7
157.89780	5.2
161.13258	18.1
163.11330	5.8
163.14816	7.5
165.12741	7.8
171.11584	5.6
175.14934	7.6
177.16467	6.3
193.12292	6.5
201.36497	6.9
211.23369	6.1
231.21046	6.7
233.22676	17.2
235.50346	5.6
241.19572	9.4
243.21126	10.7
259.20364	7.8
261.22253	13.3
277.21622	100.0
279.23206	15.1
296.18552	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	296.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32725	0.7
56.05046	0.7
60.08162	4.5
69.55513	1.4
69.55925	2.0
71.07364	2.5
86.09705	19.3
104.10744	100.0
105.11072	1.3
140.98688	0.7
141.27519	0.6
222.98904	1.5
236.99251	34.3
277.92502	0.8
296.06601	40.0
297.06888	1.9
300.27579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27151	0.2
55.05510	0.3
57.07064	0.5
59.73873	0.2
67.05502	1.0
69.03425	1.1
69.07069	0.4
70.97907	0.3
72.39850	0.2
76.14685	0.2
79.05490	0.5
80.05027	0.3
81.07042	0.4
82.06578	0.3
86.06058	0.5
91.05481	0.5
93.07048	0.6
95.04955	1.1
95.08592	0.4
96.08136	0.6
97.06503	0.4
98.06074	0.3
105.07014	0.6
107.08581	0.5
109.06491	0.4
111.08063	0.4
113.06052	0.2
119.08567	0.7
120.08098	0.3
121.06477	0.8
121.10149	0.4
124.11237	0.6
125.09628	0.3
126.12800	0.5
131.08574	0.5
133.10181	0.3
135.08037	0.3
137.09622	2.8
138.12769	1.0
140.07065	1.8
145.10103	0.3
147.08049	1.7
147.11664	0.6
148.11191	0.3
149.09653	0.5
152.36218	0.2
154.12254	1.1
159.08070	0.7
161.09717	0.3
161.13220	0.3
164.14354	0.5
165.09200	0.7
170.11775	1.0
171.42479	0.2
173.09592	0.5
176.10612	0.3
176.14288	0.4
177.12834	0.4
182.11923	0.3
183.10124	0.3
187.14728	0.4
193.11026	0.4
194.11723	0.3
203.14281	0.4
204.13875	0.8
204.17555	0.5
205.12251	0.4
205.15883	1.6
215.14317	0.7
222.15080	0.3
232.16937	1.1
233.15392	2.2
249.14980	0.2
250.18025	2.9
260.16296	0.4
261.14923	0.5
278.17532	4.9
296.18555	100.0
297.18961	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	296.1858
Annotation	Lycoposerramine F
Peak:m/z	Relative Intensity
55.05487	0.3
56.05039	0.2
57.07068	0.4
65.01103	0.2
65.13038	0.2
67.05492	0.9
69.03420	0.8
69.07078	0.4
70.92838	0.2
70.93163	0.3
72.20797	0.2
78.49071	0.2
79.05499	0.3
81.07080	0.4
82.06599	0.3
83.07373	0.2
86.06060	0.7
91.05497	0.5
93.07040	0.4
95.04974	0.9
95.08575	0.3
96.08153	0.3
97.06541	0.4
98.06062	0.4
98.45723	0.2
105.07030	0.6
106.06614	0.2
107.08601	0.2
109.06516	0.3
109.08861	0.3
109.10117	0.4
110.09753	0.2
111.08129	0.3
113.05997	0.2
117.07007	0.2
117.12574	0.2
117.29985	0.2
119.08564	0.8
121.06487	0.5
121.10082	0.2
124.11313	0.4
125.09602	0.4
126.12831	0.5
131.08553	0.4
137.09618	1.9
138.12756	0.9
140.07065	0.9
145.10100	0.4
146.16931	0.2
147.08046	1.9
147.11655	0.6
149.09630	0.4
154.12300	0.8
159.08084	0.5
164.14380	0.3
165.09109	0.7
166.12454	0.2
170.11794	0.7
172.78018	0.2
173.09605	0.4
177.12785	0.4
187.11198	0.2
187.14853	0.3
189.12799	0.2
204.13820	0.4
204.17513	0.4
205.12234	0.3
205.15936	1.8
211.43079	0.2
215.14330	0.3
226.74208	0.2
232.16988	1.4
233.15311	1.4
250.18001	2.3
260.16504	0.6
261.14807	0.9
278.17538	3.8
279.93112	0.2
287.84882	0.2
296.18564	100.0
297.18930	4.2
297.22202	0.3
319.97806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.222
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05505	0.8
56.05033	0.5
59.05002	0.8
67.05503	1.4
69.03428	0.3
69.07069	2.5
70.06596	0.7
70.28094	0.8
79.05502	0.9
80.03010	0.3
80.05018	1.4
81.07052	1.1
84.08145	0.9
85.06571	0.3
93.07036	0.4
93.27475	0.3
94.06568	1.2
95.08601	1.0
95.31976	0.3
96.08131	0.9
96.09137	0.3
98.09655	0.3
98.64748	0.3
105.07056	0.4
107.08585	0.6
108.08145	0.3
109.10193	0.5
109.36116	0.3
109.81303	0.3
110.09694	0.6
122.09676	3.4
124.07596	0.4
124.11221	0.7
125.06026	0.5
134.09607	0.4
135.11739	0.3
136.11214	5.0
138.12823	0.6
142.08569	0.3
148.11182	0.5
150.09155	3.4
150.12810	1.0
151.11963	0.3
152.10768	0.3
162.12784	1.4
164.14362	1.5
166.15961	0.4
168.10181	2.3
176.14384	0.7
182.11794	1.2
184.13240	0.3
190.15938	0.4
194.11783	0.5
204.10365	0.3
204.17506	2.8
222.15094	0.4
222.18541	0.9
236.16437	0.8
238.18089	1.2
250.21724	0.6
278.21164	19.8
279.21335	0.8
296.22195	100.0
297.22571	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	296.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42733	0.2
52.01001	0.2
55.01861	0.8
55.05496	0.9
56.05016	0.2
57.03435	0.5
59.05002	1.2
67.05499	1.4
68.05023	0.5
69.03425	0.9
69.07062	2.4
69.82769	0.2
70.02982	0.5
70.06596	0.5
71.04974	0.4
79.05502	1.0
80.05016	2.3
81.03414	0.5
81.07045	1.9
82.06570	0.3
84.08134	0.8
87.04476	0.3
91.05493	0.4
93.07040	1.1
94.02940	1.0
94.06568	1.3
95.08607	1.1
96.08112	1.0
98.09705	0.4
105.07015	0.4
106.06563	0.4
107.08567	0.9
108.08125	0.5
109.06523	1.1
109.10127	0.5
110.09667	0.7
116.59814	0.2
119.08626	0.2
121.10147	0.4
122.09670	3.2
124.07600	0.3
124.11201	0.9
125.05996	0.6
128.07063	0.3
133.10114	0.3
134.09647	0.7
136.10185	0.4
136.11206	5.4
138.12813	0.4
142.08630	0.3
142.12302	0.9
147.11685	0.3
147.28119	0.2
148.11197	0.9
150.09140	4.4
150.12790	1.2
152.10718	0.5
162.09140	0.4
162.12762	1.8
164.07082	0.5
164.14348	2.2
166.15898	0.3
168.10173	2.5
169.89163	0.2
176.10687	0.2
176.14365	0.6
178.15910	0.4
182.11771	1.8
190.15921	0.4
194.11708	0.7
196.16875	0.2
203.65031	0.2
204.13889	0.3
204.17493	3.7
208.13275	0.7
222.14865	0.4
222.18529	0.9
232.17010	0.2
236.16411	0.8
238.18091	1.5
243.42435	0.2
250.17911	0.4
250.21745	0.5
260.16339	0.3
260.20093	0.2
278.17563	3.2
278.21100	21.7
279.21494	1.3
296.18671	10.6
296.22150	100.0
297.19043	0.7
297.22507	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	296.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05500	1.0
56.05021	0.5
57.03431	0.6
59.05004	1.8
67.05506	1.7
69.03425	0.6
69.07065	2.1
70.06591	0.6
71.04971	0.4
71.44192	0.3
79.05495	1.8
79.85604	0.3
80.05004	1.3
81.07051	1.8
84.04501	1.9
84.08128	1.1
91.05463	0.3
93.07036	1.4
93.99917	0.3
94.06557	1.0
95.04951	0.5
95.08601	1.3
96.08150	1.6
98.09660	0.3
99.04412	0.4
102.05515	0.4
105.07044	0.5
106.40135	0.2
107.08574	1.4
108.08083	0.5
109.10150	1.1
110.09668	0.9
114.09206	0.4
116.10732	0.4
119.08585	0.4
120.08121	0.3
121.10149	0.8
122.09666	2.7
124.11216	0.4
125.05972	0.6
128.07109	0.3
130.57509	0.4
132.57768	0.2
134.09662	0.5
135.08041	0.8
135.11687	0.5
136.11209	1.6
137.11993	0.4
138.09135	0.4
138.12755	2.4
140.10645	0.3
142.08598	1.1
148.11197	0.4
150.09134	2.9
150.12782	0.8
152.10672	0.5
156.10155	0.5
162.12799	0.7
164.10640	0.4
164.14374	2.5
165.14735	0.3
168.10205	1.4
176.14272	0.4
181.08562	0.3
182.11743	2.0
184.13394	0.6
194.11848	0.2
204.14149	0.3
204.17476	1.4
207.26476	0.3
211.79285	0.2
220.16925	0.3
222.14938	0.3
222.18550	1.8
236.16499	0.6
238.17984	1.6
250.17970	0.5
250.21501	1.2
278.17899	0.4
278.21124	9.4
279.21448	0.6
296.18686	9.3
296.22159	100.0
297.19089	0.5
297.22495	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	296.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05502	1.1
59.05001	0.8
63.68423	0.3
67.05493	1.2
69.03416	0.3
69.07069	2.1
69.96880	0.4
69.97227	0.6
70.06578	0.5
72.47635	0.3
73.07408	0.3
79.05473	0.5
80.05012	1.7
81.07045	0.8
82.06559	0.4
84.08132	0.7
93.07042	0.8
94.06571	1.3
95.08599	0.5
96.08123	0.9
105.07033	0.4
107.08585	0.4
108.08105	0.4
109.06609	0.3
109.10155	0.4
110.09645	0.4
120.07124	0.3
120.08014	0.5
122.09675	3.5
124.11205	0.7
125.05984	0.6
134.09662	0.6
135.11604	0.3
136.11201	5.4
138.12842	0.3
142.08638	0.6
148.11180	0.6
150.09131	3.6
150.12831	0.7
152.10745	0.4
162.12776	1.7
164.14322	1.3
166.15869	0.4
168.10159	1.8
176.14351	0.4
182.11786	1.9
190.15961	0.5
194.11774	0.7
204.17473	3.2
210.27405	0.3
222.14877	0.4
222.18536	0.8
236.16455	0.9
238.18005	1.1
250.21736	0.4
278.17755	0.9
278.21109	20.6
279.21378	1.1
296.22174	100.0
297.22513	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14667	0.1
55.01871	0.1
55.05507	0.4
56.05027	0.1
65.03967	0.1
67.05498	0.5
68.68028	0.1
69.03419	0.6
69.07064	0.2
69.76305	0.3
70.06590	0.9
71.04993	0.3
78.06147	0.1
79.05486	0.3
80.04997	0.1
81.07054	0.4
82.06586	0.3
83.07346	0.2
83.08618	0.1
84.08142	1.5
87.04462	0.7
91.05462	0.1
93.07047	0.5
94.06535	0.1
95.08617	0.5
96.08120	1.5
97.06529	0.1
97.08907	0.3
97.10178	0.1
98.09690	0.2
98.23441	0.1
99.04462	0.2
105.07030	0.1
107.07414	0.1
107.08579	0.3
108.08099	0.3
109.08902	0.2
109.10142	0.1
110.09680	1.8
113.89470	0.1
115.03915	0.3
119.08611	0.1
120.08108	0.4
121.10114	0.1
122.09669	3.0
124.11245	0.8
125.05967	0.2
126.12780	0.2
133.10124	0.2
134.09679	0.6
136.11205	2.5
137.12001	3.4
138.12776	17.1
139.07527	0.2
139.13141	0.4
140.14363	0.1
141.78914	0.1
147.11671	0.1
148.11156	0.2
149.12044	0.1
150.09180	0.1
150.12764	0.2
159.11603	0.1
162.12729	0.4
163.13544	0.1
164.14372	0.9
166.15919	0.9
176.14355	1.3
177.14986	0.1
178.16000	0.2
180.17371	0.2
182.19054	0.2
190.15904	0.3
191.16710	0.3
204.17499	0.3
232.20578	0.5
236.16469	0.1
250.21660	7.2
251.21933	0.3
260.20117	0.2
278.21149	7.6
279.21405	0.3
294.20639	0.3
296.22186	100.0
297.22537	4.8
297.26053	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	296.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56117	0.3
55.01873	0.5
55.05509	0.8
56.05031	1.7
58.06601	0.5
64.06310	0.4
67.05508	3.4
69.03431	0.6
69.07056	1.2
70.06590	1.8
78.41964	0.4
79.05501	3.0
80.05011	0.7
81.07053	4.4
82.06590	0.6
84.08141	4.0
87.04462	1.0
91.05470	1.4
93.07043	2.4
94.06564	1.2
95.08593	2.2
96.08121	1.6
97.08874	0.4
98.09679	0.6
105.07021	1.3
107.08583	2.2
108.08112	0.4
109.10146	1.1
110.09676	2.3
119.08590	1.1
120.08087	0.7
121.10154	1.2
122.09691	1.3
124.11239	0.9
125.05956	0.8
125.82010	0.4
131.08542	0.6
133.10109	0.9
134.09622	1.3
135.11610	0.5
136.11194	1.6
137.11989	0.6
138.12758	3.4
145.10075	0.7
148.11206	0.7
150.09154	0.8
150.12753	0.7
152.10756	0.4
162.12776	0.7
164.14401	0.7
176.14359	0.9
178.15952	0.9
184.13318	0.7
190.15915	0.7
199.83868	0.4
204.17468	11.5
205.17853	0.5
210.14824	0.7
224.72253	0.4
236.16385	0.4
237.15787	0.4
250.18066	0.5
250.21753	1.2
260.20261	0.6
278.21143	32.0
279.21494	1.4
296.22186	100.0
297.22528	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	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.01859	0.7
55.05511	1.1
56.05040	1.4
58.06586	0.5
60.13867	0.3
65.03918	0.3
67.05505	2.6
69.03419	0.5
69.07045	1.0
69.79206	0.6
69.79533	0.5
70.06584	1.2
71.05003	0.4
79.05481	2.0
80.05005	0.6
81.07056	3.7
82.06585	0.4
83.08613	0.3
84.08138	3.6
91.05471	0.9
93.07050	2.8
94.06562	0.8
95.08603	1.7
96.08131	1.5
98.09689	0.4
105.07026	1.3
107.08580	2.0
108.08138	0.5
109.10170	0.7
110.09681	2.1
119.03574	0.3
119.08570	1.0
121.10115	0.9
121.10919	0.4
122.09640	0.9
123.10448	0.4
124.11255	0.8
125.05978	0.6
131.08546	1.0
133.10146	0.7
134.09637	1.0
135.11681	0.5
136.11230	1.7
137.12010	0.3
138.12775	1.0
145.10109	0.7
147.11697	0.5
148.11215	0.6
150.09166	0.6
150.12808	0.6
159.11728	0.3
162.12802	0.6
164.40886	0.3
168.10129	0.4
176.14285	0.4
178.15892	1.3
183.60246	0.4
184.13333	0.7
190.15912	0.7
204.17474	12.3
205.17801	0.5
210.14871	0.6
222.66716	0.4
242.10052	0.3
250.18053	0.5
260.20035	0.5
278.21149	30.7
279.21506	1.6
296.22198	100.0
297.22552	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	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05523	0.5
58.06598	0.3
67.05510	0.5
69.03437	1.1
69.07072	0.5
69.36502	0.6
70.06590	1.6
77.74776	0.2
79.05473	0.3
81.07047	0.9
82.06582	0.4
83.07380	0.2
84.08133	1.5
87.04463	1.1
93.07040	0.4
95.08598	0.8
96.08126	1.3
97.08919	0.4
99.04436	0.4
105.10549	0.2
107.08604	0.5
109.10155	0.3
110.09675	0.8
115.03889	0.5
119.08559	0.4
122.09670	1.9
124.11222	0.9
124.84155	0.2
135.11671	0.2
136.11215	1.9
137.12009	2.9
138.12781	6.2
139.07539	0.8
139.13126	0.2
164.14331	2.2
165.26149	0.2
166.15892	2.7
193.55116	0.2
196.52684	0.2
204.17529	0.2
236.16571	0.2
250.21667	5.6
251.21817	0.3
278.21127	4.8
279.21463	0.3
294.20871	0.3
296.22198	100.0
297.22552	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	296.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
55.05503	0.7
56.05038	0.4
57.03426	0.2
59.05001	0.3
67.05494	0.9
69.03429	0.8
69.07069	1.2
69.47250	0.9
69.47581	0.2
70.06603	1.0
70.87428	0.2
71.04986	0.3
74.13747	0.2
79.05482	0.6
80.05018	0.5
81.07049	0.8
82.06580	0.3
84.08126	1.3
87.04459	0.5
91.05486	0.2
93.07056	0.5
94.06568	0.2
95.08591	0.9
96.08135	1.5
97.08912	0.2
107.08588	0.6
108.08092	0.5
109.10165	0.3
110.09657	1.3
115.03890	0.3
120.08103	0.6
122.09654	3.2
123.10469	0.2
124.11217	0.7
126.77280	0.2
133.10176	0.3
134.09599	0.2
136.11206	2.4
137.12000	3.3
138.12770	10.0
139.07526	0.5
139.13123	0.3
140.14346	0.2
142.08627	0.4
150.09186	1.2
162.12801	0.5
163.77515	0.2
164.14342	1.6
166.15933	1.4
168.10201	0.7
176.14357	0.7
182.11755	1.4
190.15813	0.3
203.50481	0.2
204.17477	0.9
207.17758	0.2
222.18510	0.8
232.20555	0.3
236.16522	0.4
238.18050	0.4
250.17897	0.3
250.21671	6.5
278.21146	8.9
279.21426	0.3
282.57767	0.2
294.20734	0.2
296.22189	100.0
297.22522	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	297.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
56.50959	0.4
56.96559	1.6
65.44353	0.4
67.05501	0.7
69.46061	1.7
72.04526	5.5
79.05462	0.6
81.07049	0.8
88.03970	0.5
90.96751	0.9
93.07038	0.6
95.08603	1.3
97.06624	0.5
98.97588	11.2
105.07052	0.5
107.08563	0.6
109.06476	0.5
109.10213	0.5
116.98626	7.0
134.99643	2.9
140.00197	0.4
148.03181	0.4
148.04272	10.6
172.94345	0.4
180.01500	1.2
190.95493	0.5
232.96465	0.6
250.97510	0.6
256.96555	1.2
274.97534	11.7
292.98560	5.9
297.16708	100.0
297.99149	1.3
298.17072	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
55.01878	4.0
55.05512	29.7
57.03436	4.0
57.07069	5.9
59.05007	1.9
65.03934	1.5
65.38081	1.5
67.05506	56.4
69.03435	2.4
69.07071	68.8
69.74397	5.0
70.07388	1.4
71.04996	9.4
71.08632	2.6
73.06545	4.5
79.05494	34.0
81.07060	83.1
83.04979	9.5
83.08608	8.7
85.06541	7.1
91.05471	8.0
93.07047	50.5
95.08610	65.0
97.06522	14.7
97.10175	14.8
97.77439	1.4
99.08086	4.6
101.32254	1.4
102.44900	1.6
105.07036	6.3
107.08605	19.1
109.10159	25.7
111.11733	5.0
117.07059	1.9
119.08568	4.7
121.10149	45.2
123.08031	1.6
123.11715	16.5
131.08556	5.9
133.10139	8.3
135.11681	8.3
137.13246	5.9
139.11171	21.7
145.10136	2.0
147.11716	4.6
149.09662	2.5
149.13254	6.7
151.11177	3.2
151.14807	2.8
153.67267	1.5
159.11674	2.3
161.13252	3.4
163.14815	3.0
165.12711	1.7
173.13248	4.4
175.14789	1.9
177.16391	1.7
187.13304	5.3
187.14816	3.0
195.13783	3.7
203.12755	8.2
223.17023	1.7
243.21143	8.8
261.22156	37.3
262.22574	3.4
279.23199	100.0
280.23535	4.7
286.84222	1.6
297.24255	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
53.69968	0.1
55.05502	0.2
56.96564	0.2
61.01152	5.4
69.03424	0.6
69.95348	0.3
71.52229	0.1
74.50420	0.1
75.02709	2.6
83.08615	0.4
85.02894	0.3
86.09758	0.1
91.29529	0.1
94.04066	0.4
97.02891	1.6
98.97589	1.9
101.09641	0.2
102.04282	0.1
103.02174	0.5
110.07125	0.1
111.08064	0.6
116.97826	0.2
116.98610	0.9
119.03556	0.6
127.03927	0.2
133.10016	0.1
134.19600	0.1
134.99689	0.3
136.06186	100.0
137.04565	0.4
137.06609	1.3
145.03197	1.4
154.80302	0.1
163.04260	1.7
173.04318	0.1
182.11884	0.2
256.96509	0.2
265.36993	0.1
274.97528	1.8
280.19064	0.5
292.98550	0.7
298.09674	5.8
298.20065	1.6
299.09979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05255	0.6
55.05513	9.8
56.96563	3.1
57.03438	4.0
59.04997	1.3
59.27290	0.4
61.02917	0.5
67.05496	0.9
69.03424	2.3
69.07084	0.4
70.02733	0.6
70.06593	1.1
71.04987	1.1
73.06559	5.5
80.05007	0.5
81.07037	0.7
83.04990	1.4
84.08152	1.0
85.02913	4.0
85.51761	0.4
89.37703	0.4
90.86243	0.4
91.05486	0.5
93.01936	0.3
93.07039	0.6
94.06530	0.6
95.08609	1.6
97.02907	1.0
98.97585	26.5
99.04433	0.4
101.06018	100.0
102.06348	1.1
107.08599	0.5
110.03539	0.4
111.08088	1.9
116.62666	0.4
116.98619	12.4
119.07057	38.4
122.09663	1.6
124.11194	0.5
127.03914	1.0
129.09155	0.4
134.09660	0.7
134.99683	2.9
135.03017	0.5
136.06084	0.4
136.11279	0.4
145.04987	1.0
147.81151	0.4
150.09158	1.7
152.05681	10.3
152.10728	0.5
153.04086	0.6
162.12845	0.4
166.07281	0.5
168.10207	0.9
172.94366	1.4
178.09828	0.4
182.11784	3.7
190.95401	0.6
193.10863	0.8
196.79915	0.4
200.09171	1.4
206.15424	0.9
210.15012	0.5
214.95357	0.6
224.16457	0.9
232.96507	1.2
234.18556	0.4
236.12891	0.7
236.16449	1.1
239.11327	1.8
240.12349	0.5
244.77333	0.5
250.97475	0.7
256.96494	3.5
262.18018	1.1
264.06897	0.4
274.97501	24.1
275.97836	0.7
280.19080	6.9
292.98566	12.3
298.20102	50.3
299.20325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
56.05014	0.9
56.96539	1.3
57.03421	0.4
57.07050	1.5
58.02920	0.4
59.04984	1.0
60.04497	0.6
67.05499	2.5
69.07063	1.7
69.39937	1.4
70.54514	0.3
70.57056	0.3
71.08605	0.9
72.04150	0.7
72.04516	8.8
74.06065	0.5
77.52285	0.3
79.05467	1.5
80.05000	0.4
81.03407	0.9
81.07056	1.9
82.06558	0.5
83.01308	0.4
83.04946	0.3
83.08587	1.5
86.06087	0.3
91.05460	1.2
92.04333	0.3
93.07018	1.3
94.06564	0.4
95.04971	0.5
95.08602	2.7
97.10157	0.5
98.06102	0.4
98.97575	10.6
105.07014	0.7
107.08592	0.7
109.10127	0.8
116.98618	6.1
119.08566	0.4
121.10133	0.5
125.05073	0.4
133.10146	0.5
134.99657	2.1
135.11655	0.4
136.06152	1.4
137.09650	0.4
140.00139	0.6
149.09634	0.4
151.07552	0.5
159.08066	0.6
165.06992	0.4
165.09123	1.1
172.94344	0.3
179.08476	0.5
180.09201	0.6
181.10052	0.5
183.07938	0.3
185.09621	0.6
189.09131	0.7
190.07867	0.6
190.09464	1.2
190.95372	0.5
192.09435	0.6
195.08057	0.4
195.11644	1.3
196.08809	0.5
197.09680	1.6
199.11169	0.4
205.10118	1.0
207.11687	1.1
208.08807	4.4
209.09637	2.1
209.13309	0.4
210.10362	0.8
211.11230	0.6
212.11980	2.1
221.09457	0.4
222.10368	1.4
223.11162	9.2
224.11928	4.7
225.09105	7.7
225.12471	1.6
227.14262	0.5
232.96545	0.9
233.09554	0.3
235.07610	0.4
235.11244	0.7
237.08998	0.8
237.12755	1.5
238.09814	0.7
239.10689	1.2
239.14278	0.9
240.11426	19.8
241.11981	1.5
242.24811	1.1
249.09312	0.4
250.09850	1.1
250.25351	0.8
250.97516	0.6
251.10651	3.9
252.11411	6.3
253.08578	4.7
253.12187	1.3
254.12831	0.3
255.13780	22.7
256.14023	0.8
256.96298	1.7
263.23602	0.8
265.12198	5.7
266.13019	5.5
267.10162	12.8
267.13702	2.8
268.10919	44.6
269.11343	2.2
274.97485	7.6
275.22626	0.4
280.26331	11.9
281.11588	1.0
281.26642	0.4
282.12262	0.7
283.13266	58.9
284.13745	3.3
292.98560	4.8
297.99094	1.0
298.15607	100.0
299.12799	0.3
299.16129	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	298.2013
Annotation	N-3-Oxo-dodecanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.01856	0.7
55.05508	1.2
56.96553	0.6
57.03440	0.7
64.64520	0.3
68.05011	0.5
69.03424	15.2
69.07066	0.4
69.32879	0.3
70.06594	0.4
70.55644	0.4
71.08623	1.2
79.05500	0.4
81.07047	0.6
83.04982	0.3
83.08607	1.0
86.06063	0.8
87.04450	0.4
91.05458	0.8
93.07047	2.2
93.43229	0.3
95.08598	0.3
96.08143	0.3
98.06044	0.3
98.97582	5.7
100.07616	4.5
111.08074	54.8
112.08389	0.7
114.12790	0.3
116.98641	3.0
124.11227	3.2
134.99641	0.6
136.06242	2.1
138.09125	0.4
139.07536	11.7
142.12259	5.6
154.12334	0.4
156.13844	2.8
157.08583	5.8
157.09735	0.5
182.11696	0.4
193.10855	0.5
206.15411	0.9
216.17575	0.4
232.96422	0.5
234.18504	0.6
239.11314	0.6
240.16035	0.3
244.17087	0.5
250.97456	0.4
252.19572	6.7
256.96475	0.6
262.17996	2.6
274.97488	5.8
280.19067	16.3
281.19489	0.9
292.98590	3.2
298.20102	100.0
299.10925	0.4
299.20493	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	298.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.05502	0.9
56.96553	0.3
57.03429	1.2
57.07061	0.5
57.96892	0.2
59.05000	0.3
61.01136	0.4
68.05022	1.5
69.03426	2.1
71.08630	2.6
79.05468	0.3
80.05009	0.2
81.07066	1.3
83.08609	0.8
84.08156	0.2
85.02899	1.4
86.06068	3.2
91.05489	0.2
93.07048	0.5
95.04941	0.3
97.02882	0.6
98.06015	0.4
98.09677	0.8
98.97575	1.7
99.08090	2.2
101.09653	2.6
107.08601	0.3
111.08078	5.9
114.12800	3.1
116.98613	0.9
121.06500	0.2
122.09695	0.4
124.11228	11.7
125.11614	0.2
127.03916	0.3
134.99611	0.2
136.06183	7.9
139.07536	0.7
142.12267	100.0
143.12611	2.0
145.04892	0.4
150.90085	0.2
152.10692	0.2
156.13736	0.2
182.11778	2.1
200.15930	0.2
223.89481	0.2
234.18634	0.3
239.11324	0.3
252.19557	1.1
256.96564	0.3
262.17868	0.2
274.97516	1.7
280.15924	0.3
280.19064	3.8
292.98462	0.5
298.20105	15.6
299.16745	0.2
299.20450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05504	1.6
56.96558	2.6
58.09510	0.3
59.05004	0.4
59.13941	0.3
61.01138	0.5
67.05499	2.9
69.03429	2.2
69.07098	0.6
70.06585	2.7
70.58044	0.6
71.04999	2.4
79.05491	1.2
80.05038	2.2
81.07050	1.5
83.04972	0.5
84.04513	0.3
84.08137	1.0
85.02887	0.8
89.50970	0.3
91.05501	0.9
93.07024	1.2
93.90065	0.3
94.06567	1.2
95.04966	0.6
95.08599	3.8
96.08140	0.7
98.97578	12.9
99.04462	0.4
101.06017	4.4
105.07049	0.7
108.08127	0.5
110.07181	0.5
110.09663	0.6
111.08071	4.7
116.98618	7.9
119.07050	2.7
119.08482	0.3
120.08080	0.8
122.09657	3.5
125.05987	0.7
131.70090	0.4
132.08107	0.6
133.07607	0.8
134.09657	0.7
134.99670	2.6
136.06165	3.1
136.11208	0.9
146.01270	0.8
148.08684	0.8
148.11198	0.7
149.55138	0.4
150.05530	0.4
150.09137	4.7
150.12759	0.6
152.05704	0.4
152.10721	0.6
162.12755	2.0
164.02325	0.6
164.14395	0.7
166.07326	1.9
166.09750	1.1
168.10199	3.7
172.94356	0.6
178.09747	1.1
182.11775	4.8
192.13823	0.4
193.10860	3.6
194.09358	0.5
200.09207	0.9
206.15387	1.4
210.14824	0.9
218.07097	0.5
224.16457	1.1
232.96414	1.0
234.11304	0.7
236.16406	4.6
239.11388	5.3
250.97495	0.6
256.96460	1.5
262.10770	0.7
262.17935	3.0
274.97476	12.4
275.98135	0.4
276.07587	1.9
280.11856	0.8
280.19043	9.2
281.19315	0.4
292.98514	6.5
293.98569	0.4
298.20120	100.0
298.94116	0.4
299.10922	0.4
299.20438	4.4
302.90683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2015
Annotation	Heleurine
Peak:m/z	Relative Intensity
55.01866	0.5
55.05502	0.8
56.96571	1.9
66.95367	0.3
67.05505	2.1
68.05027	0.3
69.03430	1.5
69.07053	0.4
70.06586	2.0
70.14045	0.9
71.04990	2.7
72.08150	1.1
80.05030	2.2
81.07058	1.8
83.04958	0.3
84.08144	1.5
85.02886	0.4
90.04102	0.2
91.05443	0.4
93.07032	1.2
94.06576	1.9
95.04984	0.4
95.08608	4.8
96.08110	0.4
97.06503	0.3
98.06084	0.4
98.97585	15.1
101.06016	1.6
105.07020	0.7
108.08147	0.5
111.08083	3.5
111.86430	0.2
113.09677	0.6
116.98627	8.3
119.07048	0.7
120.08116	0.6
121.10142	0.3
122.08391	0.5
122.08727	0.3
122.09679	4.6
123.08080	0.5
124.11249	0.5
125.05988	0.7
126.09161	0.3
128.00195	0.3
132.08075	0.3
133.07600	0.3
134.09656	0.8
134.99667	3.0
136.06111	0.5
136.11197	1.1
137.06047	0.3
137.85893	0.3
140.00136	0.3
148.08731	0.4
150.09152	5.4
150.12727	0.3
151.07530	0.7
152.10703	1.2
158.01205	0.3
162.12808	1.1
163.09724	0.3
164.14323	0.4
165.08957	0.6
166.09799	0.9
168.10207	4.7
170.11731	0.4
172.94382	0.6
174.19437	0.3
178.09735	0.7
182.10220	0.5
182.11772	8.6
182.13383	0.4
183.12160	0.3
188.14336	0.4
190.95386	0.5
192.13881	0.7
193.10872	2.8
194.09247	0.3
194.11617	0.3
196.24681	0.3
200.09285	0.3
200.12727	0.4
206.15421	0.9
210.14893	2.4
220.13454	0.3
224.16344	0.6
232.96437	1.3
234.14854	0.4
234.18401	0.3
235.00043	0.3
236.16478	2.8
238.14455	1.9
239.11383	4.0
250.97458	0.3
256.96365	1.8
262.18005	3.4
274.97504	13.1
275.97510	0.3
280.19070	8.9
292.98541	7.4
298.20114	100.0
299.17191	0.6
299.20441	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	298.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46621	0.1
55.05518	1.0
56.05022	0.4
57.03440	0.2
58.06593	0.4
67.05509	0.9
69.07066	0.8
70.06233	0.4
70.06587	4.1
71.04991	0.2
71.12132	0.2
73.42053	0.2
79.05482	0.5
81.07052	1.4
82.06583	0.2
83.07378	0.2
83.08617	0.7
84.08147	3.5
87.04464	0.2
93.07044	0.7
95.08601	2.0
96.08117	2.6
97.08887	0.7
97.10155	0.5
98.09707	1.4
98.22626	0.4
98.97593	0.6
99.04453	0.7
105.07013	0.3
107.08585	0.5
109.10171	0.8
110.09672	2.0
110.10373	0.3
112.11235	0.2
112.81008	0.2
116.98654	0.3
119.08591	0.2
121.10135	0.3
122.09653	1.1
123.10458	0.2
124.11225	2.1
126.12800	0.4
132.60361	0.2
136.11221	1.1
137.11986	2.0
138.12772	15.4
139.13124	0.4
147.11713	0.2
150.12781	0.4
164.77484	0.2
166.15910	1.7
182.19028	0.2
208.11455	0.3
222.30470	0.2
234.22124	0.3
252.19536	0.3
262.21695	0.3
274.97513	0.8
280.22702	23.4
281.23053	1.2
292.98532	0.4
298.23758	100.0
299.24084	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	298.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05514	1.7
56.05025	1.2
57.07060	0.2
64.58251	0.2
67.05505	1.9
69.03410	0.4
69.06767	0.2
69.07063	2.1
70.68616	0.3
79.05482	1.2
81.07066	1.9
83.08612	0.5
84.08135	0.4
85.12288	0.2
91.05448	0.6
93.07055	1.5
93.53174	0.2
94.06535	0.3
95.08612	2.3
96.08111	1.0
97.06478	0.3
97.10172	0.3
98.09688	0.4
98.19432	0.2
98.97576	1.6
105.07008	0.8
107.08609	1.5
108.08133	0.2
109.10130	0.9
110.09689	1.1
116.98597	0.4
119.08531	0.8
121.10091	0.5
122.09655	0.5
123.10406	0.3
124.11233	0.6
125.05955	0.6
126.09145	0.3
126.12792	0.6
133.10107	0.7
135.08032	0.3
135.11629	0.3
136.06088	0.2
136.11232	1.1
138.12749	0.3
140.14311	0.9
142.08609	0.3
147.11665	0.5
150.12791	1.1
152.10635	0.4
161.13161	0.3
164.14305	1.0
170.11690	0.2
178.15895	0.5
180.17497	1.3
184.13263	0.8
206.19043	17.8
207.19351	0.6
233.79297	0.2
234.22316	0.4
238.18022	0.4
240.51266	0.3
252.19511	0.7
262.21716	0.3
274.97458	1.2
280.22708	35.5
281.23068	2.0
292.98492	0.5
296.22034	0.3
298.23767	100.0
299.24084	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	298.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	19.3
55.05289	4.1
55.05518	39.5
56.20650	3.4
57.03443	14.9
57.07080	57.5
59.04984	5.4
67.05170	3.6
67.05509	70.6
69.07071	62.9
69.58321	6.9
69.58706	5.8
71.04984	6.6
71.08636	51.1
72.04512	16.9
79.05499	42.4
81.03396	8.1
81.07061	100.0
83.04978	10.6
83.08623	30.9
83.72056	3.6
85.06536	6.4
85.10184	21.9
91.05478	27.2
93.07053	53.7
95.04969	9.8
95.08614	89.9
97.06535	17.4
97.10167	25.1
98.97574	31.8
99.08093	3.5
105.07033	16.3
107.04966	4.9
107.08608	25.5
109.06503	3.8
109.10160	31.5
111.08086	7.6
111.11710	11.0
113.09648	3.6
115.75496	2.9
116.98622	25.2
117.48441	3.2
118.86106	3.6
119.08603	18.6
120.84750	3.2
121.06455	4.4
121.10147	41.4
123.08082	8.5
123.11694	23.1
125.06004	3.2
125.09620	13.2
125.13247	4.1
131.08566	7.6
133.10121	13.8
134.99651	12.1
135.08070	8.3
135.11742	7.1
136.06180	49.1
137.09636	12.8
137.13229	6.8
139.11192	15.6
145.10103	5.0
147.08116	3.9
147.11644	9.1
149.09624	12.2
149.13257	5.9
151.07588	6.8
151.11188	7.1
155.14331	19.0
161.09608	7.2
161.13258	6.8
165.09111	18.4
167.10658	8.4
169.12369	3.1
177.09003	4.8
185.11722	7.0
206.91852	3.8
235.24138	3.9
241.08501	3.5
242.24713	3.7
243.23061	3.8
245.22710	17.5
250.97597	3.3
263.20111	22.2
263.23608	20.0
274.97473	35.6
280.26465	6.1
281.24689	11.0
292.98523	21.4
297.99274	4.9
298.16510	8.6
298.27332	13.7
298.30603	4.3
298.34686	10.8
299.16412	27.7
299.25867	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2745
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.05510	12.9
56.05047	5.8
56.96564	3.4
57.07067	3.3
58.02963	2.3
60.04522	2.1
65.03947	1.1
67.05509	18.4
68.05023	2.8
69.07070	14.0
69.70919	3.2
70.99348	0.9
71.08637	1.6
78.92435	0.9
79.05495	10.4
79.34991	0.9
80.05019	1.7
81.07058	16.4
82.06583	6.8
83.04985	1.8
83.08616	7.1
86.06057	2.0
88.07641	1.1
91.05472	5.5
93.07046	8.0
94.06573	3.5
95.05016	1.7
95.08607	11.8
96.08169	1.7
97.10168	3.2
98.22746	1.6
98.97583	31.8
100.07616	2.8
105.07025	3.9
107.08601	2.6
108.08174	0.9
109.06583	0.9
109.10170	3.3
116.98627	12.3
119.08560	2.7
121.10157	3.3
122.09621	2.0
123.11692	1.1
133.10159	2.0
134.99686	3.7
135.11748	1.4
136.06203	3.5
136.11263	1.0
140.00221	1.6
156.53143	0.8
172.94368	1.0
232.96518	2.3
250.25331	8.7
256.96515	3.2
262.25220	4.2
274.97491	26.7
275.97781	1.6
280.26349	100.0
281.26688	5.5
292.98526	13.5
297.99069	1.6
298.27451	1.3
316.00211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
55.99715	0.2
56.05037	0.5
56.96561	0.6
56.99364	0.2
57.03446	0.3
57.07082	1.7
58.02962	2.6
60.04521	1.2
67.05508	1.1
69.07078	1.4
71.08629	1.1
72.04517	100.0
73.04854	0.9
74.06082	0.9
79.05492	0.3
81.03422	0.5
81.07053	1.6
83.08647	0.7
85.10154	0.5
88.07635	0.4
91.05486	0.3
93.07059	0.3
95.08605	1.5
97.06586	0.2
97.10141	0.5
98.22702	0.6
98.97586	4.3
99.41838	0.2
102.09213	0.2
109.10160	1.0
116.98627	2.1
118.62119	0.2
119.08541	0.3
133.10138	0.4
134.99663	0.7
137.09698	0.3
207.22969	0.3
225.22229	0.3
232.96469	0.2
242.24788	3.6
252.26955	0.6
255.31488	0.2
256.96533	0.6
258.43503	0.3
263.23798	1.0
269.24997	0.4
274.97528	4.2
280.26349	4.2
281.26682	0.4
292.98547	2.2
297.99155	0.3
298.27338	1.7
298.30576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2744
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
51.76275	0.5
53.03952	1.0
55.05518	10.6
55.37852	0.5
56.05043	5.8
56.96552	1.4
57.03429	0.5
57.07078	3.5
58.02963	2.7
60.04531	2.5
65.03947	0.9
67.04235	0.6
67.05508	17.0
68.05036	3.1
69.07076	9.8
69.84518	1.2
69.84885	1.0
71.08630	1.1
72.04505	0.6
74.06093	0.5
74.41901	0.4
79.05492	9.1
80.05038	2.4
81.07057	13.8
82.06587	7.8
83.04963	0.9
83.08627	6.6
84.08129	0.7
86.06052	1.7
91.05484	5.7
93.05746	0.5
93.07040	5.9
94.06592	2.8
95.04974	1.6
95.07342	0.8
95.08616	11.9
96.08155	1.3
97.06522	0.8
97.10159	2.1
98.06064	1.7
98.97588	7.6
100.07629	2.0
105.04550	0.7
105.07030	2.6
107.08609	2.5
107.23038	0.5
108.08140	0.9
109.06478	0.5
109.10166	3.4
109.10780	0.5
111.11718	0.5
112.07602	0.6
116.98650	2.6
117.06965	0.6
119.08602	3.0
120.08001	0.5
121.10113	2.6
122.09677	0.8
123.11735	1.1
132.71925	0.5
133.10117	1.5
135.11681	1.6
136.06171	1.0
136.11139	0.7
147.11696	1.0
154.12277	0.8
191.17986	1.1
245.22522	0.5
250.25346	6.5
256.96466	1.2
262.25327	3.9
263.23572	0.6
270.34216	0.6
274.97491	6.0
280.26355	100.0
281.26691	5.6
292.98651	2.8
298.27380	0.8
316.00159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
55.05518	18.7
56.05039	8.8
56.96566	4.9
57.03430	4.4
57.07074	23.3
58.02956	8.3
58.06588	2.7
60.04261	2.0
60.04525	11.7
67.05499	20.8
69.07075	18.2
70.03555	3.3
70.03887	1.5
71.08638	12.3
72.04517	99.2
74.06081	8.9
79.05501	9.7
80.05003	2.6
81.03415	19.3
81.07059	24.0
82.06581	4.9
83.04975	3.9
83.08619	16.5
83.62872	1.7
85.10184	5.8
88.07613	5.0
91.05482	10.1
93.07057	8.2
93.90630	2.1
94.06567	3.0
95.04945	7.3
95.08617	22.4
97.06534	3.2
97.10163	6.4
98.22746	1.9
98.97578	49.5
102.09167	2.5
105.07024	3.3
107.08582	4.0
109.10167	8.9
111.11717	2.9
112.07619	1.8
116.98624	24.5
119.08581	5.2
121.10153	6.7
123.08083	2.7
123.11713	5.4
133.10135	5.4
134.99677	4.4
135.11705	3.8
136.06158	10.3
137.09616	4.4
137.13246	2.8
140.00197	2.6
172.94441	2.2
232.96434	2.1
242.24789	30.5
245.22701	3.1
250.25369	2.8
250.97643	2.8
252.26703	3.6
256.96423	6.0
262.25235	4.2
263.23709	18.4
269.24539	1.6
274.97491	39.7
278.07755	1.9
280.26343	100.0
281.26672	6.6
292.98529	19.5
293.98871	1.7
297.99155	4.5
298.27435	8.8
298.30615	1.7
323.66309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1279
Annotation	Enterolactone
Peak:m/z	Relative Intensity
50.61598	1.4
55.01868	3.7
55.05502	2.6
57.03433	1.9
57.04683	1.4
67.05496	2.2
71.43443	2.0
74.22274	1.4
79.05484	15.9
81.07034	2.5
91.05482	45.1
92.05784	1.8
93.07039	4.6
95.04968	12.0
95.08577	3.4
97.10177	1.7
103.05460	2.1
105.04532	2.5
105.07043	18.3
107.04959	100.0
107.08585	2.7
109.06519	1.9
111.04430	5.9
113.25443	1.7
115.05463	9.6
116.98593	1.7
117.07011	5.0
119.04952	42.2
119.05862	2.6
119.08562	2.2
120.05764	2.0
121.06522	20.4
123.04429	8.0
128.06236	3.4
129.07010	20.1
131.04942	8.9
133.06503	17.8
135.04433	2.3
135.08047	3.6
135.56879	1.5
137.05995	7.5
139.07561	7.4
143.04904	3.2
145.06503	9.4
147.04388	4.4
147.08043	3.6
148.05170	3.0
149.05937	9.2
149.09596	1.9
151.07541	40.3
157.06509	14.6
161.05978	15.0
162.06787	9.9
163.07513	4.6
165.06960	3.5
165.09160	2.5
166.07793	3.2
167.07104	1.9
167.08539	1.7
174.06752	3.2
175.07518	5.9
177.05435	3.1
177.09074	9.1
178.07761	3.8
179.07030	2.5
179.08501	3.6
181.06407	3.1
181.08603	12.3
182.07172	1.6
190.06351	3.0
191.06989	1.7
191.08531	2.7
192.07806	4.7
193.08606	75.7
194.07281	3.9
194.08836	1.7
195.08041	4.5
196.08926	3.1
205.06641	3.5
205.08591	35.0
206.07257	3.9
206.08971	2.0
207.08037	4.4
209.09424	2.2
213.09021	2.5
218.07249	2.3
221.09650	3.2
222.10266	2.1
223.07564	6.2
225.09111	2.4
227.10808	2.1
233.05988	2.2
234.06833	3.9
235.07489	4.3
237.09091	3.4
238.09818	2.6
239.10684	6.2
249.09126	6.5
250.09911	7.2
251.07042	4.0
253.12144	7.9
254.09309	1.6
255.10168	2.4
256.10974	3.4
265.08441	2.0
266.09393	10.0
267.10120	3.3
269.11746	3.5
271.13321	2.9
275.97925	2.1
281.11716	75.2
282.12012	4.4
293.98798	2.0
299.12766	52.6
300.13129	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	299.1643
Annotation	Acerogenin A
Peak:m/z	Relative Intensity
50.84796	1.3
55.01890	2.7
55.05520	3.0
57.03424	1.2
57.07064	1.3
60.04530	2.8
61.34172	1.2
61.60358	1.2
61.81417	1.4
66.42899	1.3
67.05492	2.3
69.03426	1.5
69.07069	3.2
69.45880	4.2
69.46244	2.7
70.06593	2.7
71.01356	24.4
72.04528	6.5
79.05501	8.9
80.11123	1.4
81.07050	3.9
83.04990	5.2
83.08614	1.6
84.04488	1.4
89.02399	15.4
91.05480	3.6
93.07024	1.4
95.04981	1.7
95.08621	1.9
98.06069	3.1
98.97593	8.3
100.03989	4.0
102.05549	18.6
105.07059	3.3
107.04992	2.4
109.10168	1.7
110.38365	1.2
116.98627	6.7
125.05993	5.5
129.06969	1.8
131.08565	1.7
133.10101	1.5
142.07758	2.8
143.08490	3.1
146.11749	1.2
153.06982	1.6
154.07729	1.9
155.08548	16.6
155.30803	1.4
156.09375	2.1
157.10139	13.2
165.07013	3.3
166.07809	3.5
167.08583	10.0
168.09236	2.5
169.10123	18.6
178.07756	3.3
179.08578	13.7
180.09334	4.7
181.10129	30.5
182.10899	7.0
183.11682	8.7
191.08669	2.8
192.09276	3.5
193.10118	20.0
194.10875	2.9
195.11702	6.4
196.12401	4.0
197.09612	1.4
197.13248	19.2
204.09351	1.7
205.10126	4.9
206.10912	13.1
207.11763	7.4
211.14819	44.3
212.15308	2.7
219.11725	3.5
220.12416	5.4
220.17761	2.2
221.13249	43.2
235.14806	25.4
245.13206	4.0
263.14343	8.6
274.97220	1.5
275.97974	6.4
281.15378	100.0
282.15741	5.6
282.24292	5.4
293.98843	3.9
299.16327	6.5
300.25345	7.7
300.28979	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	299.1645
Annotation	CHEBI:70700
Peak:m/z	Relative Intensity
57.07068	1.6
59.71061	0.8
67.05504	2.1
69.77048	2.0
77.70855	1.0
79.05486	2.8
81.07048	2.2
83.04964	1.0
91.05489	11.2
93.07030	1.8
95.04942	1.5
95.08581	3.2
97.06547	1.4
97.36221	1.0
98.97648	1.3
105.07020	9.5
107.04942	1.6
107.08602	2.3
109.10176	1.6
111.08068	1.2
114.28342	0.9
115.05454	2.2
117.07019	3.5
119.08575	6.8
121.06498	8.9
123.08073	3.5
125.06026	2.1
129.07021	1.4
131.08508	1.2
133.06485	3.3
133.07533	1.4
133.10051	2.2
135.08058	26.8
136.06143	1.1
137.09650	6.6
139.07568	4.4
143.08493	1.0
145.06491	4.0
146.07231	1.7
147.08058	11.1
148.08867	2.6
149.09608	14.9
151.07532	15.0
152.08282	1.1
159.08080	4.9
161.09619	5.6
162.06766	2.6
163.07526	5.0
163.11243	1.2
164.76634	1.0
165.09123	55.7
166.09593	2.1
173.09679	3.2
175.11211	3.4
176.08246	1.6
177.09125	15.4
179.10640	2.7
187.11205	1.0
189.09145	1.7
191.10646	4.0
192.09361	1.4
192.58594	1.0
193.09987	1.0
203.10762	1.1
204.11426	3.1
207.11722	1.9
209.09619	4.2
210.10226	1.2
211.11188	1.3
222.10495	1.1
223.11087	2.3
224.11925	4.3
225.09154	1.7
225.12663	1.9
235.11224	1.8
237.08852	2.2
237.12482	1.2
238.09842	1.0
239.10719	1.3
239.14346	5.0
241.11974	3.3
252.11380	4.6
253.12207	2.2
254.09232	1.1
255.13741	1.1
256.11493	1.0
256.14236	3.7
266.12656	1.2
267.13907	6.5
268.14557	3.6
269.11572	4.1
271.16870	2.0
284.13727	15.0
298.34671	2.1
299.16342	100.0
300.16599	4.4
323.78906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Przewalskin D
Peak:m/z	Relative Intensity
53.03934	0.6
55.05514	34.1
57.07053	0.8
60.04506	1.1
67.05488	0.7
69.07056	0.9
72.04520	23.2
72.04916	1.4
72.43473	0.5
73.04861	4.1
74.25677	0.5
77.88345	0.6
81.07031	1.1
83.08624	36.5
84.08947	0.7
89.05998	0.7
91.05466	0.8
93.07049	1.1
95.08593	1.1
97.10178	0.6
98.22679	1.2
98.97590	2.7
99.97884	1.0
100.07573	0.6
105.06995	1.4
106.45357	0.6
107.08601	0.8
116.98611	2.2
119.08584	1.2
122.97203	0.6
131.08566	1.3
134.99625	0.9
141.06999	1.1
145.10081	0.7
159.08072	2.9
161.09622	0.9
167.50633	0.5
175.07497	0.8
183.07990	1.6
186.06755	1.7
187.07549	38.0
188.07898	1.4
189.12804	0.8
200.08330	1.7
201.09126	7.1
202.09387	0.6
203.30902	0.5
211.11269	0.8
212.42015	0.5
213.09157	2.4
215.10661	0.7
217.12259	1.1
229.12245	100.0
230.12608	4.4
243.13805	10.4
243.25076	0.6
256.14685	0.8
257.15375	15.0
274.97379	0.7
275.97815	2.5
281.26730	1.3
282.27817	0.8
293.98911	0.7
299.20065	47.8
300.20435	2.6
300.28989	2.5
300.32108	0.8
309.74274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.3
55.05510	10.8
62.54302	0.5
69.03427	5.3
69.07042	1.0
70.06592	15.6
71.79418	0.4
73.63573	0.5
79.05500	2.2
81.07047	2.4
83.04471	0.7
83.04975	12.0
83.08593	2.4
84.08104	2.0
87.04440	1.5
97.06543	3.9
97.10178	3.2
107.08585	2.5
108.08115	0.4
111.08058	0.9
115.03928	0.8
124.29561	0.4
125.05996	8.9
125.09631	55.4
126.09942	1.2
130.08643	4.7
145.11084	0.4
153.09105	47.5
154.09418	1.1
168.00906	0.4
168.10092	0.8
171.10178	9.8
194.15381	1.2
222.14857	2.2
240.15936	62.2
241.16357	2.7
254.17392	1.2
282.16983	1.9
300.18051	100.0
301.18393	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	300.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05514	0.8
56.05029	0.4
56.96550	0.5
57.86319	0.3
67.05505	0.9
69.03426	0.5
69.07068	0.9
70.06593	11.7
71.43919	0.3
72.08164	0.7
73.79197	0.3
79.05479	0.8
80.05015	0.5
81.07057	1.1
83.04980	0.4
84.08153	1.2
85.01495	0.2
86.09728	1.5
87.04424	0.4
88.08743	0.9
89.06035	0.4
91.05471	0.3
92.86452	0.3
93.07043	0.9
94.06573	0.6
95.04996	0.3
95.08617	1.4
96.08121	0.8
98.06026	0.3
98.09692	1.6
98.97591	1.9
99.04465	0.3
105.07034	0.4
107.08576	0.6
108.08121	0.4
109.10157	0.4
110.09673	0.8
112.08710	0.6
116.07102	0.9
116.98625	1.3
119.08601	0.5
122.09694	1.1
124.11227	0.3
124.35002	0.3
125.06015	0.7
125.09769	0.3
127.03929	0.3
133.10187	0.3
134.09636	0.5
134.99626	0.5
135.11646	0.5
136.11185	2.0
138.12755	0.4
148.11221	0.5
150.09140	1.1
150.12794	0.5
152.14378	0.9
162.12749	0.4
164.14381	1.9
168.10234	0.4
176.14325	0.4
182.11845	0.3
182.15379	1.4
183.14929	1.3
187.10780	1.7
190.15932	1.5
208.16959	19.1
209.17305	0.6
210.14830	1.9
211.14374	0.7
213.12350	0.3
215.88217	0.3
235.01251	0.4
236.20169	0.3
238.18048	0.3
240.15910	0.6
255.14534	0.6
258.99744	1.5
260.34769	0.3
264.19583	6.3
265.20096	0.4
277.00903	1.1
277.07883	1.1
282.20642	23.9
283.21014	1.0
289.59351	0.3
294.98380	0.4
300.21704	100.0
301.14972	0.5
301.22025	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	300.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76260	0.5
55.01868	2.3
55.05514	3.9
56.05032	0.9
57.07066	2.2
60.04530	14.3
65.03919	0.6
67.05507	5.8
69.07079	6.3
71.08633	1.3
72.04514	0.9
73.02916	4.6
73.99775	0.5
74.06084	2.0
79.05495	3.0
81.03416	1.7
81.07055	8.3
82.06558	0.7
83.04983	1.3
83.08630	3.7
84.04515	3.7
85.10203	0.8
89.06065	1.4
90.05591	0.6
91.05479	1.3
93.07040	3.6
95.04980	1.6
95.08609	11.1
96.04516	0.9
97.06530	0.9
97.10178	3.4
98.97577	2.6
99.04463	1.4
100.04021	0.9
102.05544	100.0
103.05894	0.7
105.07027	0.9
107.08604	2.6
109.10164	4.2
111.04430	0.6
111.08008	0.7
111.11738	1.4
116.54115	0.6
116.98637	1.3
119.08614	0.7
121.10144	3.0
123.11710	2.1
131.08557	1.1
133.10112	1.1
133.90039	0.6
134.99622	0.7
135.11681	1.9
137.09578	1.1
137.13260	0.8
149.13168	0.7
162.53378	0.5
169.86845	0.5
193.19412	0.8
205.19629	1.0
211.20541	1.0
217.19588	0.9
221.19044	1.8
223.20590	0.8
235.20605	1.7
253.21616	4.9
258.99860	0.7
264.23242	4.1
265.21585	1.1
276.97641	1.0
282.24258	4.1
283.17728	0.8
294.99020	0.8
300.12790	0.7
300.25397	24.1
300.32626	1.2
301.25677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	0.9
55.05511	11.9
57.03416	1.5
57.07074	15.1
60.08155	1.9
67.05505	13.9
67.55081	0.6
69.07064	8.4
70.06598	0.6
71.08611	1.9
73.02927	6.0
81.07058	16.7
83.08617	9.2
85.06526	0.6
85.10172	1.6
87.04452	0.8
95.08023	0.9
95.08601	13.1
97.10165	19.0
98.97562	0.8
102.05463	0.7
109.10155	50.3
110.10461	1.2
111.11716	0.9
116.98606	0.6
118.62654	0.6
123.11716	9.9
135.08049	0.6
136.76028	0.6
137.13248	0.8
141.05515	0.6
149.54298	0.6
151.24602	0.6
179.17949	1.5
241.21619	100.0
242.21950	4.0
300.28958	89.1
301.14087	0.9
301.29263	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.05513	1.5
57.07078	7.9
58.06586	0.9
60.04511	1.2
67.05489	2.5
68.99773	1.4
69.07061	2.0
70.06590	12.4
70.53593	1.4
71.08625	4.3
81.07042	2.2
83.08601	1.1
83.82545	0.7
85.10182	0.7
88.07632	16.2
91.05480	1.9
93.07024	0.6
95.04964	0.8
95.08605	4.8
96.08952	0.7
97.10178	1.4
98.97578	1.7
102.09175	5.2
105.03384	8.1
105.07002	0.8
106.08665	7.2
109.10133	3.1
116.98622	1.0
121.06477	3.7
123.11741	0.8
134.99590	0.8
135.08063	3.6
137.05966	2.0
145.06503	0.9
147.04381	1.3
149.05988	2.0
151.07536	2.7
152.08315	0.8
153.05461	0.7
153.06946	1.0
159.08058	1.2
159.10184	0.8
163.07533	2.4
165.07039	1.0
165.09074	0.9
168.05649	0.7
169.06454	1.6
170.07272	1.7
173.06084	0.9
175.07552	2.7
181.06464	1.6
182.07298	1.3
183.04376	3.8
183.08070	2.2
187.07494	2.0
195.07985	1.1
197.05960	1.9
198.06758	11.5
199.07489	3.0
201.05548	1.8
210.06816	1.0
211.03894	4.8
211.07443	3.3
212.08391	1.7
213.05804	0.6
213.09096	17.0
214.06187	0.6
214.09401	0.9
215.07022	6.5
223.03918	0.6
223.11136	1.0
225.05391	1.4
225.09061	1.1
226.06238	20.9
227.07018	11.9
227.10641	1.1
228.07570	0.8
230.09308	0.9
231.10011	0.7
241.08583	45.6
241.12292	1.3
241.21608	4.3
242.09302	6.9
242.21948	1.8
243.06509	23.7
243.10155	1.4
254.05725	1.1
254.09344	1.1
254.28487	1.0
254.96011	0.8
255.06543	1.0
255.10237	0.7
256.26419	1.4
257.08090	2.1
258.08868	21.9
258.27966	1.1
259.09293	1.7
269.08109	7.9
269.11728	2.2
270.08838	0.9
270.12302	0.7
271.06033	2.7
271.09302	1.5
273.11224	21.0
274.11572	1.0
278.96750	1.3
282.27032	1.0
284.29449	5.5
286.08411	1.4
286.11847	0.8
295.96143	0.8
300.29007	5.3
301.10712	91.5
301.14120	6.0
301.29120	3.1
302.11108	4.4
302.14142	1.2
302.30511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.01856	0.3
56.82518	0.1
65.03938	1.5
67.05505	0.8
69.07063	0.1
75.70215	0.1
77.03906	0.1
79.05483	0.4
80.05023	0.2
81.07038	0.2
81.15910	0.2
82.02924	0.4
82.06571	0.2
83.04991	0.2
87.69054	0.1
91.05466	0.5
92.05003	1.8
93.03382	0.1
93.05776	0.2
93.07032	0.3
94.06557	0.6
95.04947	0.4
95.08604	0.2
96.15614	0.1
103.05415	0.1
105.06988	0.2
106.06524	0.4
107.08571	0.2
108.04449	0.3
108.08109	0.4
109.10138	0.2
110.06008	0.3
117.05728	0.3
118.06516	0.2
120.04463	2.1
121.06485	0.4
122.06039	1.4
128.06210	0.2
129.06976	0.5
130.06511	0.3
131.07321	0.2
132.08049	0.3
133.10118	0.2
134.05995	0.4
136.07579	2.2
141.06975	0.5
142.06560	0.3
142.07739	0.3
143.07364	0.2
143.08545	0.4
144.08081	0.7
145.06541	0.2
145.07663	0.2
145.08902	0.3
145.10085	0.3
146.05988	0.4
148.03940	0.8
151.07497	0.4
152.06201	0.4
153.07004	0.4
154.06505	0.5
154.07787	0.6
155.07298	0.3
155.08548	0.6
156.08067	0.5
157.08867	0.3
157.10118	0.3
158.06033	0.2
158.09618	0.5
159.09132	0.4
160.07562	0.5
161.07088	0.4
162.05482	1.2
165.07008	0.9
166.07622	0.1
167.07300	1.8
167.08614	0.6
168.08060	1.3
169.07613	0.5
169.08839	1.0
169.10107	0.5
170.08415	0.7
170.09523	0.7
171.09113	0.4
171.10455	0.2
172.07539	0.3
172.11227	0.4
173.07088	0.7
173.08380	0.4
174.07857	0.2
174.09135	0.4
180.06657	0.2
180.08115	0.2
181.08884	0.5
182.06036	0.4
182.09647	2.7
183.06798	0.3
183.09158	2.1
183.10510	0.2
184.07716	0.7
184.09929	2.9
184.11272	1.4
185.06993	0.7
185.10561	0.6
185.12122	0.3
186.09128	0.5
187.08673	2.7
188.09497	0.2
189.10228	0.4
189.19044	0.1
192.08110	0.4
194.08205	0.2
194.09689	0.4
195.06757	0.3
195.09273	0.3
196.07570	0.8
197.06914	2.0
197.08449	0.8
197.10809	0.4
198.07672	2.2
198.09215	0.9
198.10931	0.2
199.08492	1.1
199.12311	6.8
200.10855	0.8
200.12529	0.3
201.10287	0.2
201.13892	0.2
209.10698	0.8
210.07112	0.2
210.09142	6.5
211.08600	5.3
212.09229	7.9
213.06607	0.5
213.10129	2.6
214.10887	0.2
222.07852	0.3
223.08545	0.2
223.10857	0.1
225.06566	1.8
225.10135	1.0
226.07181	1.3
226.10748	0.7
227.08124	0.8
227.11784	26.2
228.10100	0.4
228.12132	1.0
229.13322	0.2
237.10222	2.2
238.08614	1.8
238.10825	0.2
239.08121	2.3
240.08897	12.2
241.09712	8.8
241.11844	0.2
242.10220	0.4
253.09764	0.4
254.10475	0.8
255.11273	100.0
256.11639	4.9
257.12857	3.2
258.13358	0.2
266.08154	0.3
273.12363	0.8
283.10773	13.7
284.11118	0.8
301.11810	24.8
301.21411	0.5
302.12106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1434
Annotation	Galanganol B
Peak:m/z	Relative Intensity
51.82674	0.5
53.03943	1.1
59.57259	0.6
69.37872	1.8
75.69726	0.6
77.03931	2.0
79.05482	3.9
91.05474	13.4
93.07043	15.5
95.04979	5.5
95.08620	0.6
101.14273	0.6
103.05466	14.4
105.04511	2.0
105.07029	3.3
107.04950	38.3
109.06487	0.6
115.05432	2.9
116.06234	0.5
117.07035	6.1
119.04974	0.8
119.08583	3.8
121.06505	100.0
122.06855	2.4
123.08018	0.5
129.07048	0.6
131.04939	0.9
133.06473	0.9
134.07283	1.2
135.08063	4.6
141.25867	0.6
144.05684	1.1
145.06491	9.9
147.08037	2.3
149.06017	2.7
149.09624	4.4
150.06772	0.9
151.07542	9.4
155.06062	1.4
158.07254	1.3
159.08014	1.3
161.06010	1.8
162.06763	0.8
163.07561	4.1
164.08368	1.3
165.09114	9.0
174.06770	2.0
175.07520	6.4
177.09093	8.3
179.10664	8.9
189.09108	15.2
190.09679	0.8
192.07919	0.9
207.10153	9.2
237.09155	1.2
241.12231	1.0
251.10709	1.0
253.08594	1.1
268.10959	1.1
271.13312	0.9
283.09909	1.4
283.13266	25.0
284.13583	1.1
301.14331	25.0
301.17810	1.2
302.14481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.62095	0.3
58.28766	0.3
59.04987	1.1
60.04515	0.7
68.52116	0.2
69.03068	0.4
69.03429	6.3
69.36826	0.4
69.37218	0.8
71.04974	0.3
79.05475	0.5
83.01322	0.4
90.30802	0.2
90.39465	0.2
91.13220	0.3
95.08601	0.6
97.02884	1.2
97.06528	0.3
98.97567	0.7
102.05537	1.6
106.02934	0.3
107.04914	0.3
113.91158	0.3
116.98637	0.5
119.04863	0.3
119.08624	0.3
125.05973	0.5
129.06969	0.3
131.04936	0.4
132.08121	0.3
135.08080	0.4
141.07039	0.5
147.06737	0.3
150.09129	0.4
153.06984	0.4
155.08606	0.3
158.07304	0.7
158.09677	0.4
159.08069	0.4
162.09146	0.8
165.06941	2.3
166.07745	1.2
167.08560	0.5
169.06479	1.0
172.07576	0.3
172.08817	1.8
172.11179	0.5
173.09682	0.3
174.09145	3.2
175.09944	2.5
178.07683	0.5
179.08524	0.6
180.09319	1.5
181.10100	2.0
183.08069	1.9
184.08856	0.5
185.09637	3.3
186.09064	0.4
189.07101	0.4
190.07671	0.7
191.08559	1.3
192.09328	0.7
193.06483	0.6
193.10062	0.7
194.07253	1.4
195.08035	2.4
195.11737	0.4
197.09587	0.7
198.10350	1.5
199.07484	0.5
199.11275	1.4
200.10707	1.2
206.07176	0.3
207.07996	0.5
208.07393	0.1
208.08823	7.4
209.09618	9.7
210.10368	2.8
211.07538	10.9
212.08073	0.8
213.09106	0.6
213.12833	1.3
219.08049	0.9
220.08824	0.8
221.05992	1.5
221.09520	0.5
222.06784	1.2
223.07512	0.9
223.11157	11.1
223.13354	0.6
224.08318	0.4
224.11546	0.6
225.09140	1.7
226.06329	0.4
226.09880	12.5
226.12158	0.6
227.10519	0.9
228.13840	0.4
235.07526	0.4
236.08319	3.5
237.09077	8.3
237.58406	0.2
238.09875	4.0
239.06998	6.4
240.11377	0.3
241.08461	0.7
241.12224	21.2
242.12585	0.8
246.14960	0.4
251.10664	5.5
252.11386	0.8
253.08644	1.2
254.09378	32.4
255.09694	1.7
256.13345	1.0
267.86539	0.3
268.11011	0.5
269.11716	100.0
270.12103	4.9
271.09744	0.6
274.14362	26.5
278.96820	0.4
283.13391	0.5
284.25906	1.2
286.11868	0.7
295.96045	0.4
301.07623	3.4
301.10742	1.1
301.14151	5.6
302.13867	26.4
302.26901	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	301.1438
Annotation	Magnolignan A
Peak:m/z	Relative Intensity
53.03944	7.7
53.83807	2.3
55.05509	7.9
57.07084	6.8
59.05003	4.7
67.05508	9.5
69.03439	3.3
69.07069	5.5
70.06593	7.1
71.08634	4.6
74.06075	10.1
79.05496	6.8
81.03441	19.3
81.07058	9.9
83.05003	5.1
83.08638	3.2
88.07638	31.2
91.05480	21.4
93.07071	9.3
93.86419	2.8
95.04979	5.0
95.08619	12.6
97.10172	3.4
98.97597	11.1
99.04453	2.9
101.06003	3.2
103.05492	3.6
105.03417	4.0
105.07018	24.4
107.04980	6.1
107.08598	3.7
109.02927	2.6
109.06563	6.0
109.10175	10.8
110.03672	3.3
111.04476	3.8
115.05473	5.6
116.98608	6.3
117.07065	3.0
119.04973	2.8
119.05961	3.3
121.06512	22.4
121.10149	23.2
123.08080	4.6
125.06002	24.1
129.05531	4.1
131.08580	4.0
132.10196	4.5
133.06482	5.2
133.07562	3.0
134.08150	2.6
134.99680	4.2
135.08070	75.2
137.05959	6.5
139.07529	5.6
141.05458	37.8
144.05713	5.7
145.06511	8.0
147.04388	3.2
147.08064	11.2
149.06000	11.1
149.09634	33.8
149.92212	3.1
151.07585	8.9
158.07286	6.7
159.08102	11.2
161.09587	13.2
165.07060	6.6
165.09134	17.1
167.07126	4.7
167.08487	4.0
171.08086	13.4
173.09666	3.0
175.07661	3.8
177.09090	24.2
179.07076	4.1
179.08586	3.5
181.12155	2.7
183.08060	3.5
185.06128	3.3
185.09668	5.4
187.07558	3.5
190.07748	3.5
191.08611	7.3
192.09331	5.6
193.10060	3.3
194.07332	4.8
195.08118	6.5
197.09697	4.8
198.06754	5.9
207.08093	2.9
208.08838	29.5
209.09647	12.4
209.11772	13.8
211.07559	6.0
211.11089	2.7
213.09171	3.8
213.73802	3.1
223.11183	39.0
224.08388	4.1
224.11867	3.5
225.09003	7.4
226.06331	8.8
226.09955	4.2
236.08299	4.4
237.09113	4.2
237.11279	10.0
239.10699	7.0
240.11539	8.7
240.23053	2.9
241.04955	3.6
241.08624	39.5
241.12184	16.3
241.14323	3.3
241.21640	16.0
242.22017	8.9
242.24814	13.3
251.10622	13.2
253.08749	4.7
254.09291	3.7
255.13832	17.9
256.11044	3.9
258.09006	4.6
265.12500	3.0
268.11011	10.2
269.08124	22.9
269.11652	8.6
269.14148	4.4
271.13281	12.6
273.07672	6.1
273.11301	8.3
273.14828	16.3
278.96899	3.0
282.27997	3.8
283.13293	100.0
284.13577	5.9
286.08459	3.2
290.52615	2.7
296.98026	4.4
300.29041	43.6
301.07104	8.7
301.10690	20.4
301.14365	73.5
301.29349	23.2
302.14529	4.0
302.26913	38.0
302.30203	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0915
Annotation	7-Hydroxyrutaecarpine
Peak:m/z	Relative Intensity
56.96567	74.8
57.10618	0.6
57.32312	0.6
60.95831	0.7
64.47059	0.5
69.03396	1.0
70.06573	0.6
71.26657	0.6
72.96027	1.3
74.97589	0.9
81.04536	0.6
83.97642	1.2
84.08117	1.7
84.96026	1.4
85.02878	1.6
86.09676	2.2
87.68314	0.6
94.35799	0.5
96.37641	0.7
98.97587	21.3
99.97925	0.8
101.00848	0.8
101.68145	0.6
102.96843	2.7
110.07175	0.6
110.97449	0.7
113.54085	0.6
116.98619	8.8
119.01911	1.1
120.97905	1.2
122.06027	5.5
124.00740	0.7
124.99119	16.5
126.02274	3.5
129.75499	0.5
134.99701	2.9
138.09126	0.7
140.03848	3.9
140.07083	12.2
140.08163	2.2
142.05396	5.1
143.00165	35.7
144.03282	1.2
152.00221	1.8
152.98586	1.0
155.00116	0.7
158.04909	6.1
159.00040	0.6
160.06473	9.7
161.01225	27.6
170.01256	12.1
170.04892	4.1
170.99614	14.2
172.94527	0.8
173.01230	1.3
176.05931	1.1
177.00934	0.9
178.07500	2.1
179.02295	3.7
185.02699	0.7
188.02327	13.5
188.05931	6.0
189.00708	85.0
190.01140	1.0
194.94785	0.9
206.03378	1.9
206.07001	17.1
206.08856	1.3
207.01768	100.0
208.02106	1.8
209.02271	1.2
212.02295	1.2
219.01950	2.3
224.08061	15.0
225.02824	4.4
230.03354	1.2
233.05095	0.8
242.04912	0.7
242.98482	1.0
243.01840	0.8
258.99826	1.7
260.00034	1.9
260.95862	1.0
260.99591	5.7
261.03049	9.8
262.03125	1.1
265.53946	0.7
266.07031	2.5
270.97684	0.7
277.00958	1.3
278.01080	2.1
278.96863	5.2
279.00424	6.9
279.06198	0.9
279.53711	0.8
284.08011	8.9
285.02798	1.1
288.06891	2.0
288.54117	0.8
288.57010	0.8
296.97888	3.2
300.00110	0.8
302.09122	78.4
303.03894	5.4
303.10272	5.6
303.17651	0.6
317.00226	1.0
320.10156	20.1
320.15768	1.2
321.04852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18541	1.0
53.03951	2.3
55.01859	2.1
55.05500	1.8
57.03422	4.2
61.02919	4.7
65.03920	1.1
67.05499	7.2
69.03429	12.9
69.07060	1.2
70.06586	5.5
71.01331	1.2
71.04981	1.6
71.44178	1.0
72.08156	9.1
73.02903	3.1
79.05486	4.6
81.03416	8.6
81.07053	8.1
84.08157	1.2
85.02906	86.9
86.09689	2.7
91.05505	1.9
94.06573	1.6
95.04972	6.4
96.04501	1.6
97.02892	42.5
97.06550	1.7
99.04469	3.1
103.03943	7.4
108.08125	15.5
109.02875	12.2
109.06528	1.7
110.06014	2.2
112.07600	2.7
113.06020	1.2
116.07112	1.2
122.06049	8.0
122.09689	1.3
122.88354	0.9
125.06020	7.7
126.05514	7.2
126.09159	4.2
127.03922	19.2
128.07132	1.1
136.07573	18.4
140.07065	44.9
141.05408	1.3
143.11824	7.9
145.04953	12.1
150.09157	5.6
152.07080	18.1
154.08612	6.9
158.11748	1.9
163.06085	1.9
164.07063	20.9
171.11278	2.9
178.08632	14.9
182.08134	100.0
183.08481	3.0
188.05244	1.1
189.05699	1.1
206.06163	2.4
206.08121	42.7
218.08092	4.0
220.09605	1.6
236.09190	4.1
248.09169	8.9
261.41190	1.0
278.96671	1.1
302.14276	1.1
302.17145	2.1
302.20068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.65756	0.7
55.01860	1.3
56.05059	0.7
57.03416	2.1
61.02921	3.0
65.03935	2.0
67.05505	30.3
67.05868	1.6
69.03428	15.2
69.07063	9.2
70.06588	3.2
71.04985	1.4
73.02910	1.5
74.64462	0.7
75.02160	0.6
81.03408	5.3
81.07052	1.0
83.01295	0.8
84.08130	2.5
85.02903	37.3
86.03247	1.1
86.09722	1.5
87.04476	1.2
91.05475	1.2
94.06552	3.0
95.04967	48.6
95.72346	0.7
96.05299	0.8
97.02893	34.6
97.06477	0.8
98.97556	1.5
99.04447	2.1
102.09174	0.7
102.96830	0.8
103.03914	3.4
106.06593	0.9
109.02863	7.0
112.07604	36.9
113.06001	4.1
122.06055	4.3
123.04448	2.0
124.07597	1.7
126.03755	3.5
127.03934	8.5
134.09770	1.1
136.07576	2.0
140.07059	100.0
141.07373	2.1
142.12140	0.8
145.04942	3.7
152.07120	1.1
154.03249	1.7
154.08635	6.9
158.11658	0.7
164.07057	1.3
168.10222	0.7
172.04153	0.8
178.08682	3.2
182.08127	57.9
183.08556	0.9
200.03778	2.8
206.06396	0.5
206.08134	13.2
218.08195	2.3
236.09215	2.5
236.98521	0.7
248.09164	7.5
257.05826	2.9
278.96634	0.8
284.11255	1.3
287.70099	0.8
296.97714	0.9
302.12338	1.6
302.13974	2.4
302.17245	11.9
303.14044	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1964
Annotation	(-)-Floridinine
Peak:m/z	Relative Intensity
55.05501	0.8
55.47152	0.3
56.57423	0.3
57.02790	0.3
62.45364	0.3
64.27363	0.3
67.92616	0.3
69.07041	0.6
69.59264	1.3
70.06587	1.7
71.06947	0.3
72.08150	5.0
72.09734	0.3
73.06535	1.0
81.11562	0.3
82.06565	0.6
83.06911	0.3
83.07357	4.5
84.07675	0.4
84.08144	5.2
86.09195	0.5
86.09705	9.8
93.07044	0.4
96.08099	0.4
97.08894	0.7
98.06050	0.6
98.97592	0.3
110.07184	0.4
110.09689	2.8
114.09131	0.3
118.08625	0.4
120.97869	0.3
121.10131	0.3
122.09635	1.7
123.04414	0.7
123.10438	0.4
124.11223	7.9
132.10179	0.6
137.05954	0.4
139.03937	0.5
140.10693	5.8
141.11481	8.1
142.12206	0.4
143.11794	2.5
144.06606	0.3
149.05949	0.8
149.85567	0.3
151.03874	1.1
153.05447	0.4
157.13309	1.9
158.11758	100.0
159.12109	1.9
171.11331	1.2
177.05466	0.6
185.12845	2.0
185.16483	0.6
189.12340	0.9
199.18118	0.6
213.15994	0.4
221.11620	0.3
221.62773	0.3
225.53435	0.3
247.14088	0.3
252.15834	0.4
258.17047	1.2
284.18555	1.2
284.22079	0.4
291.37964	0.3
302.19617	92.2
303.08527	0.4
303.19971	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	302.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05259	0.8
55.05515	14.1
56.96563	7.4
65.08779	0.5
67.05503	1.0
67.25517	0.5
69.03430	8.3
69.07077	1.3
70.06577	0.8
70.52773	1.1
71.04983	0.8
72.08160	1.1
79.05489	2.8
81.07062	3.7
83.04980	15.9
83.08618	1.9
84.08138	0.6
84.14830	0.5
86.09704	1.3
87.04465	12.7
93.07001	0.5
95.04939	0.9
97.06535	3.9
97.10172	3.7
98.97580	3.9
99.04362	0.5
102.09159	1.2
107.08597	2.9
111.08086	1.8
114.09164	1.5
116.98608	1.7
119.06113	0.5
125.06000	8.0
125.09631	63.1
126.09956	1.4
132.08121	1.0
132.10199	8.9
150.09146	1.6
153.09103	48.4
154.09410	1.1
161.38306	0.5
164.10760	1.4
170.15446	0.6
171.10168	15.1
173.17465	0.5
174.02277	7.6
185.16495	0.6
188.03822	2.2
192.03346	6.5
192.10162	0.9
196.13388	1.1
198.14983	0.9
206.04826	2.4
210.04376	1.0
215.04889	5.7
216.16005	2.9
217.06525	4.7
220.13298	2.4
233.05974	2.3
235.07617	1.7
241.11447	0.6
243.04442	2.1
261.05478	23.5
266.13858	1.7
279.06528	14.0
279.08987	0.4
284.14948	1.7
284.18521	1.6
302.16287	4.6
302.19589	100.0
303.06558	1.4
303.19897	4.1
304.04779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
51.17924	0.5
55.05515	4.6
58.00664	0.5
65.82711	0.6
70.06589	1.4
70.71336	1.1
72.08153	100.0
72.39574	0.5
73.08500	0.8
77.23664	0.6
84.08166	0.6
86.09706	31.4
87.10054	0.6
100.07613	2.0
118.08636	0.8
123.04375	0.6
124.11320	0.6
130.23524	0.5
132.10194	6.0
138.35751	0.5
140.10719	1.0
141.11525	0.7
143.11792	72.8
144.12125	0.9
157.13351	12.0
158.11761	14.0
169.07613	0.8
171.11287	34.0
185.12822	6.2
203.13977	1.0
228.13924	0.8
231.17068	2.0
278.74988	0.6
279.01782	1.1
302.19876	12.8
309.75757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78362	0.3
55.01621	0.3
55.01879	5.6
55.05505	1.4
56.05041	0.8
57.03432	0.5
57.07071	1.1
60.04529	5.2
65.29026	0.3
67.05514	1.6
68.05022	0.9
69.03436	1.2
69.07056	2.1
69.60795	1.0
70.06593	1.5
71.04999	0.6
71.08617	0.4
73.02926	2.1
74.06075	1.1
77.68527	0.2
79.05473	1.3
80.05009	1.9
81.07061	2.1
82.06583	1.3
83.05001	0.4
83.08619	1.2
84.04510	1.8
84.08121	0.4
86.06094	0.4
88.07623	0.5
91.05473	0.8
92.21537	0.3
93.07053	0.6
94.06596	0.5
95.04958	0.4
95.08606	1.3
97.06536	1.2
97.10156	0.4
98.97594	0.7
99.04461	0.5
100.07626	0.4
101.06035	2.5
102.05546	48.2
102.96875	0.5
103.05922	0.7
105.07046	0.6
106.02920	0.5
107.04933	1.4
107.08607	0.6
109.10172	0.5
112.07625	0.5
116.98656	0.4
117.07043	0.5
119.04968	0.9
120.08113	0.7
120.97858	0.5
121.10152	0.8
122.09703	0.3
125.06013	2.1
130.06503	0.4
131.04935	0.7
131.22418	0.2
132.08087	0.7
134.06047	0.7
134.09712	0.3
135.11760	0.3
137.05949	0.3
144.08095	1.0
145.06467	0.4
146.06004	0.4
146.09650	0.5
147.06795	1.1
148.07587	1.7
148.11229	1.0
150.09146	1.2
155.08582	0.3
156.08104	0.3
157.08882	0.3
158.09709	1.3
160.07475	0.3
162.09154	3.6
171.06778	0.5
172.07562	0.8
172.11192	2.4
173.08337	0.4
174.09151	9.4
175.09932	10.8
176.10585	1.1
182.09703	0.9
186.09119	2.1
187.09601	0.4
200.10706	4.7
200.14308	0.5
201.11476	1.0
204.10194	0.4
209.09323	0.4
210.09956	0.3
210.12781	0.6
218.11804	0.7
224.23758	0.8
227.10172	0.3
228.10179	0.4
228.13840	2.4
228.23227	1.3
238.09598	0.4
242.12607	0.8
246.11353	0.5
246.14821	2.6
248.23735	0.5
249.22241	0.5
255.09819	1.0
256.13324	3.9
257.11575	0.5
266.24872	1.6
270.12064	2.7
271.09750	0.4
274.14383	100.0
275.14697	6.8
278.96866	0.8
284.25858	15.9
285.26254	0.9
302.13882	92.3
302.26904	52.8
303.14331	7.3
303.27390	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	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72999	0.2
68.90515	0.3
69.48731	1.0
69.49098	0.5
78.16210	0.2
81.95032	0.3
95.08635	0.3
98.23442	0.6
98.97577	3.5
101.00879	3.2
102.96880	0.3
116.98596	1.9
119.01917	5.5
120.02010	0.8
121.01637	0.2
134.99783	0.6
137.02989	0.7
140.98839	0.5
158.99918	2.2
160.00024	0.4
175.02910	0.3
177.00954	10.7
177.02495	0.6
178.01019	2.9
179.00713	0.9
183.00009	0.6
184.00064	0.4
201.00954	2.5
202.01031	0.9
217.04073	2.2
218.03868	0.8
219.02002	19.4
219.16725	0.2
220.02116	7.1
221.01758	1.8
225.00839	3.0
226.01047	1.1
227.99623	0.3
243.01987	11.9
243.99643	0.5
244.02094	4.9
245.01849	0.7
259.00089	0.4
261.03040	100.0
262.03174	37.7
263.02866	8.4
278.97665	0.5
279.00519	2.3
280.00797	0.8
284.04538	0.8
284.99796	2.0
285.04813	1.7
285.99799	0.3
286.04611	0.5
301.00992	0.4
303.00839	2.8
303.05566	8.7
304.01343	0.3
304.05362	2.3
320.98169	0.4
321.01886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01859	0.4
61.64292	0.1
65.03940	0.6
67.01865	0.3
67.05528	0.6
68.99792	2.2
69.03416	0.4
69.81441	0.1
69.81781	0.4
71.04980	0.1
73.78816	0.1
79.05486	0.1
81.03410	0.7
81.07044	0.3
82.06529	0.1
84.08152	0.2
85.02912	0.2
91.05470	0.5
93.03397	0.4
93.07055	0.3
94.06566	0.1
95.01349	0.1
95.04970	0.9
95.08601	0.2
97.02902	0.2
97.06518	0.1
103.05503	0.1
105.03402	0.2
105.07025	0.3
107.01286	0.1
107.04933	0.3
109.02882	1.1
109.10225	0.2
111.00804	1.9
111.04457	0.2
113.06068	0.2
115.05429	0.2
117.07015	0.3
119.04973	0.1
121.02868	2.2
121.10141	0.1
122.06029	0.5
123.04448	0.7
127.03929	0.4
128.07083	0.1
129.06963	0.2
131.04936	0.3
133.02855	0.2
135.04411	0.5
135.08002	0.1
135.08974	0.1
136.07579	3.6
137.02345	7.4
137.03435	0.4
137.05925	0.2
141.05435	0.1
145.02875	0.2
145.06436	0.7
146.06012	0.2
147.04362	0.2
149.02350	0.9
153.01825	9.8
154.02240	0.2
155.04906	0.8
155.06052	0.2
157.06468	0.2
159.04364	0.3
161.05977	0.7
163.03917	1.3
164.07080	2.1
165.01836	4.0
166.02603	0.4
171.02930	0.1
173.05980	1.4
177.01872	0.2
177.05423	0.2
179.03293	0.6
182.08072	0.6
183.02872	1.7
183.04428	1.0
184.05066	0.1
185.05978	0.1
187.03976	0.7
188.07098	0.2
191.03343	0.3
194.02197	0.1
195.02872	0.4
198.09174	0.2
200.04646	0.2
201.05470	4.3
205.05005	0.5
207.02856	0.3
211.03909	0.4
213.05519	0.2
215.03412	0.2
219.02890	0.3
219.06435	0.6
228.04182	0.5
229.04964	9.3
230.05252	0.2
230.11699	0.1
232.03624	0.2
239.03459	0.5
243.11423	0.5
243.51614	0.1
245.04561	0.2
247.06029	1.2
257.04446	4.8
258.04849	0.3
274.04770	1.4
275.05399	0.4
285.03918	2.2
285.12299	0.8
286.04492	0.3
303.04974	100.0
304.05328	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.15374	0.1
52.87906	0.1
54.16554	0.1
55.01866	0.4
65.03938	0.4
67.01871	0.3
67.05491	0.3
68.99789	1.7
69.03421	0.3
69.07066	0.2
69.11259	0.7
70.06594	0.2
71.04977	0.1
79.05491	0.3
81.03423	0.6
81.07040	0.2
84.08140	0.7
91.05462	0.3
93.03433	0.7
93.07009	0.2
95.04959	0.9
95.08609	0.1
105.03391	0.2
105.07013	0.2
107.04971	0.2
107.08556	0.2
109.02868	1.0
111.00797	1.7
115.05448	0.3
117.07008	0.4
119.08550	0.1
121.02859	2.0
123.04433	0.7
125.09637	0.2
127.03906	0.3
131.04924	0.4
133.06508	0.2
135.04440	0.4
135.08044	0.3
137.02344	7.2
137.03442	0.4
137.05957	0.2
143.04924	0.2
145.02834	0.2
145.06519	0.6
147.04372	0.2
149.02383	0.7
149.06006	0.2
151.03943	0.2
153.01825	9.4
153.09145	0.1
154.02200	0.2
154.25211	0.1
155.04919	1.0
155.06036	0.1
157.06526	0.1
159.04427	0.3
161.05962	0.8
163.03920	1.2
163.07504	0.1
165.01839	3.9
166.02585	0.5
173.05988	1.2
177.01730	0.1
177.05400	0.2
179.03391	0.3
181.08585	0.5
183.02879	1.4
183.04436	0.9
187.03899	0.7
191.03439	0.3
191.07037	0.2
193.12254	0.2
195.02898	0.5
199.09625	0.1
201.05463	4.2
202.05818	0.2
205.04933	0.4
207.02898	0.3
211.03856	0.3
213.05472	0.3
215.03384	0.2
219.02951	0.3
219.06535	0.7
228.04147	0.6
229.04959	8.8
230.05293	0.3
232.03612	0.2
239.03522	0.5
240.32642	0.1
247.06020	1.2
257.04443	4.9
258.04987	0.3
274.04727	1.2
275.05447	0.2
285.03925	2.2
286.04480	0.3
302.17389	0.3
303.04971	100.0
304.05295	5.2
304.15329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06281	0.4
56.96566	30.8
57.56172	0.5
65.66721	0.4
70.06588	1.5
71.95245	0.5
72.08160	1.0
74.97626	0.8
83.97656	0.5
84.08147	0.9
84.13917	0.5
85.34166	0.5
86.09705	1.3
97.99165	1.0
98.97583	14.4
110.07200	0.4
116.98623	6.6
132.08124	3.6
134.99658	1.4
144.96794	1.5
171.99142	0.7
174.02274	32.7
175.02579	0.8
175.11813	0.6
186.02194	0.8
188.03824	8.3
192.03319	30.8
193.03679	0.9
197.03853	0.9
202.01743	1.1
204.03394	1.8
206.04897	10.9
207.02034	0.8
208.02843	0.7
209.99042	0.6
210.04390	3.4
215.04926	21.8
216.03316	0.9
216.05295	0.6
217.06479	18.1
218.01137	0.7
220.02829	2.5
222.04282	3.1
224.05891	1.1
229.02853	2.0
231.04472	2.1
233.05977	8.7
234.04268	1.0
234.06424	0.5
235.07535	11.1
238.03847	0.7
243.04369	9.0
247.03937	1.7
249.05478	0.6
258.04395	3.0
261.05475	100.0
262.05750	3.2
276.05414	1.3
279.06525	53.0
280.07019	2.3
284.07141	1.8
286.03949	1.2
302.08411	0.5
303.06436	5.6
303.09436	0.5
303.17749	0.8
303.21179	0.5
304.04919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74045	7.1
56.87186	8.3
60.05648	13.2
67.98354	9.0
70.06593	53.9
71.19704	12.2
72.08156	26.4
82.41744	7.8
84.04511	22.1
84.08170	22.9
96.14731	7.3
102.34664	6.5
106.90400	7.1
115.08659	10.7
116.07090	9.8
129.10213	8.1
134.27257	7.7
147.07542	9.2
158.09303	15.9
175.11978	22.1
261.04593	9.1
294.94415	7.2
303.08447	100.0
303.17880	60.0
303.20941	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	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11883	7.9
51.41311	7.4
53.27443	7.5
65.15876	7.7
66.92349	8.4
70.06581	25.3
70.88258	10.4
72.08167	12.9
82.89816	7.3
83.06094	10.3
84.08138	17.0
86.09699	13.0
94.00024	7.8
98.97621	13.5
110.07168	100.0
114.71766	8.9
117.73122	8.5
129.10289	11.0
174.14899	28.9
177.00798	8.1
197.02426	10.0
210.06119	17.1
215.03575	9.0
235.09219	10.8
261.02850	14.4
303.08243	82.2
303.17819	10.2
304.14505	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1593
Annotation	Masoprocol
Peak:m/z	Relative Intensity
65.03944	0.5
67.05489	1.4
68.64561	0.5
73.78703	0.5
79.05482	3.9
81.07065	0.9
83.01333	1.1
91.05481	17.2
91.06062	0.9
92.05806	1.7
93.07037	6.3
95.04976	1.1
95.08605	1.5
102.05580	0.6
103.05460	2.6
104.99288	0.8
105.04501	0.5
105.07036	8.2
107.04963	1.5
107.08598	0.7
109.06528	5.2
109.10150	2.0
117.06973	1.0
119.06074	2.3
119.08593	2.4
120.05692	1.5
121.06504	32.8
122.06765	2.7
123.08076	3.2
124.08401	0.9
129.07059	0.6
129.37927	0.4
132.05719	1.2
133.06482	0.5
135.04408	7.6
135.08069	5.5
137.05956	1.3
137.09595	3.3
139.07535	1.4
147.08061	3.2
149.05971	0.6
150.06755	52.6
151.07547	14.0
152.07887	7.1
165.09111	100.0
166.09425	3.4
195.06645	0.5
200.12297	0.4
241.57240	0.5
243.10286	0.5
259.13324	0.8
270.12381	0.8
271.12909	4.1
272.13605	1.3
276.15994	0.7
285.14853	1.0
303.12244	20.9
303.15765	5.6
303.27286	0.8
304.12570	1.5
304.15524	2.1
304.28513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
57.07070	1.4
65.03949	1.8
67.05504	0.7
72.08150	0.8
74.06075	0.7
77.03928	0.5
79.05493	4.8
86.09700	1.0
91.05480	28.2
93.07046	9.3
93.33483	0.4
95.04947	1.4
98.23535	0.8
103.05450	2.9
104.99268	1.1
105.04498	0.7
105.07027	18.1
106.07362	0.5
107.04952	1.8
107.08577	0.5
109.06514	8.4
111.96674	0.4
113.06041	0.6
117.06981	0.4
119.06061	6.1
120.05718	2.6
121.06503	100.0
122.06828	2.0
122.08128	1.3
133.06532	0.4
135.08051	64.3
136.08374	2.0
137.06044	0.7
145.06439	0.4
147.08041	0.4
149.09502	0.4
150.06754	1.6
151.07544	1.3
159.08051	0.5
163.07527	0.6
165.07014	0.7
165.09097	3.3
167.08583	0.8
178.07826	0.8
179.08522	1.4
180.09363	0.4
183.08058	0.8
189.09030	0.6
192.09344	0.5
193.10127	4.3
194.10658	0.6
195.08090	5.3
195.09943	0.8
196.08716	1.0
203.12735	0.6
205.06641	0.6
206.07211	0.6
207.08163	0.5
208.08875	0.7
209.09570	1.1
210.10400	3.9
211.07527	0.7
211.11169	0.8
212.08310	0.6
215.12547	1.1
220.08759	0.9
221.09680	1.2
222.10330	1.0
223.07634	3.3
223.11079	0.6
224.08189	0.6
225.09151	1.0
225.12730	5.4
227.10663	1.1
228.07576	0.4
229.14188	0.6
230.00575	0.4
235.11160	1.2
237.08998	1.3
238.09883	10.3
239.10599	2.3
240.07788	0.6
240.26849	1.0
241.27084	0.5
253.12231	22.9
254.12943	3.1
255.10086	1.8
270.12573	2.8
270.49805	0.5
271.09564	1.4
271.13208	1.5
285.11453	0.6
285.14813	12.2
286.15155	0.8
288.09418	1.3
302.30460	1.6
303.12122	3.6
303.18042	5.0
303.27237	1.1
303.30826	1.7
304.15329	1.5
304.28400	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	303.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50931	0.9
60.30088	1.0
65.03939	2.3
67.05501	1.5
69.03398	1.2
69.25468	1.8
69.25859	5.4
71.05012	1.1
76.18214	1.1
77.03913	1.1
79.05511	0.9
81.07072	1.4
84.08156	1.0
91.05484	37.2
93.07042	12.6
95.04995	1.5
105.07080	1.2
106.04157	1.2
107.04966	2.8
107.08657	1.0
109.06516	12.0
113.06064	1.2
117.85577	0.9
119.06056	10.0
121.06509	100.0
122.06919	1.2
127.03913	1.6
127.07595	1.8
134.09619	1.7
135.08040	2.4
136.08868	2.1
137.06009	4.5
141.05441	1.1
147.08035	1.0
149.09615	1.5
153.80809	0.9
159.08057	1.5
210.10321	1.2
225.12830	2.0
227.10680	1.2
241.12276	1.8
242.12733	1.6
243.10220	1.1
243.13898	3.7
257.11606	1.3
257.12598	1.1
257.15427	10.3
267.13940	2.3
271.09756	1.7
285.14923	5.8
286.14798	1.3
304.15591	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	303.1592
Annotation	Enterodiol
Peak:m/z	Relative Intensity
55.05504	1.5
57.07069	1.2
60.04524	5.9
65.03936	1.8
67.05498	1.9
69.03413	0.9
69.07071	1.8
69.28855	4.0
70.06612	0.9
70.89373	0.8
71.08624	1.2
79.05482	3.4
81.07043	1.9
83.04968	1.4
88.07630	3.1
91.05479	28.6
93.07041	10.6
95.04949	2.3
95.08591	2.1
103.05477	1.9
104.99261	1.9
105.07028	12.6
106.08665	0.9
107.04936	2.0
109.06512	10.0
109.10132	1.0
119.04918	0.7
119.05208	0.8
119.06059	6.7
119.08575	2.4
120.05720	1.1
121.06503	100.0
122.06851	2.6
123.08075	4.5
124.05184	1.2
125.05999	3.0
133.06546	0.9
135.08052	33.5
137.05980	4.2
139.07578	1.0
145.06471	1.3
147.06972	0.7
147.08067	2.7
149.05969	1.1
149.09625	3.7
149.67310	0.7
150.06754	4.9
151.07544	31.5
152.06985	0.9
152.08040	0.9
158.07208	0.9
159.08063	1.6
161.09637	1.7
162.06671	1.3
163.07504	5.2
165.06999	1.9
165.09093	8.0
167.08537	0.8
177.09088	6.4
178.07814	2.1
179.08536	3.5
183.08131	1.9
185.09612	1.4
189.06619	1.4
189.09181	0.9
190.04951	1.4
192.09285	1.2
193.10136	9.0
195.08069	12.7
195.11736	1.2
196.08809	2.4
197.09482	1.2
203.08540	1.6
206.07253	1.4
207.08055	1.2
208.08708	0.8
209.09624	3.6
210.06516	0.7
210.10385	11.1
211.11101	3.2
214.35669	0.9
220.08920	1.3
221.09715	3.3
222.10344	2.9
223.07536	8.3
223.11113	1.5
224.08267	1.5
225.09116	2.2
225.12720	10.8
226.13159	0.8
227.10536	3.5
229.12389	0.8
235.11156	3.1
236.11913	0.9
237.09161	1.7
238.09866	28.5
238.12244	1.5
239.10551	6.9
241.08553	0.9
242.12997	1.2
243.13742	2.1
250.25240	1.4
252.11452	0.9
253.12233	55.8
254.09509	1.1
254.12878	9.0
255.10114	5.4
256.10709	1.4
257.12802	1.8
257.15414	2.2
268.26282	1.9
269.11826	1.5
270.12430	12.8
271.13129	1.8
285.14841	74.0
286.15100	5.3
286.27393	6.2
303.16190	1.6
303.19287	4.6
303.27167	4.7
303.30789	2.5
304.15439	2.8
304.18826	0.9
304.28445	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59029	0.3
53.03933	0.5
55.05498	0.4
56.05028	0.5
57.07068	0.4
60.04525	0.6
65.03938	0.3
67.05517	0.3
69.07044	0.4
70.70954	0.5
72.53067	0.3
74.06066	1.1
77.03925	0.9
79.05493	6.1
81.07026	0.4
81.58159	0.2
88.07631	3.4
89.07966	0.6
91.05468	3.2
93.07032	1.1
94.47987	0.3
95.04978	1.1
95.08604	0.4
102.99596	0.3
103.05470	4.6
105.04494	0.6
105.07027	26.4
106.07328	0.5
107.04967	0.5
107.08578	0.4
109.06532	0.7
111.91444	0.3
115.05453	0.3
117.06941	0.4
119.06069	0.5
119.08562	0.3
120.05728	3.3
121.05618	0.3
121.06504	7.2
123.08042	0.4
125.05989	0.6
135.08049	100.0
136.08374	2.9
137.05977	0.6
147.07954	0.4
151.07547	3.5
152.07054	5.0
163.07578	0.3
165.09100	0.4
177.09053	0.4
179.08568	0.5
180.07816	0.6
193.10132	0.7
195.08040	0.9
195.10120	0.9
196.08748	0.3
206.07076	0.3
210.10353	1.2
222.10594	0.4
223.07527	0.7
225.09126	0.4
225.12880	0.6
235.11287	0.4
238.09842	2.3
239.10435	0.5
242.24771	0.6
243.25124	0.8
250.25478	0.4
253.12247	3.5
254.12828	0.7
255.10155	0.3
257.11694	0.8
257.15408	0.4
266.91583	0.3
268.26315	0.4
270.12506	0.4
285.11691	0.5
285.14847	2.3
286.27426	1.4
302.26920	0.9
303.08774	0.3
303.12311	0.4
303.15836	0.6
303.27231	5.2
304.28470	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05517	0.7
56.96569	3.1
57.03432	0.6
58.06583	0.2
61.02920	0.6
64.42693	0.2
64.43026	0.2
68.05039	0.4
69.03428	1.9
69.07060	0.7
69.60493	0.8
69.60825	0.2
70.06588	0.3
71.04985	0.2
73.02909	0.4
79.05496	4.2
80.05014	1.0
81.03421	0.4
81.05800	3.1
81.06610	0.4
81.07056	4.1
82.02898	0.2
82.06586	0.5
83.03633	0.2
85.02906	4.4
86.06055	0.6
86.09715	1.8
87.04484	0.5
94.06576	1.0
95.04984	0.3
96.04483	1.5
96.08137	7.8
97.02364	0.3
97.02879	1.3
97.06547	0.4
98.22742	0.4
98.97594	0.7
99.04455	0.3
106.06587	0.5
107.04948	0.4
109.02876	0.5
109.05303	0.4
111.11675	0.3
112.07602	1.1
115.46641	0.2
116.98635	0.4
119.01977	0.3
120.06554	0.2
120.08109	0.8
122.91727	0.2
124.07594	100.0
124.99037	0.3
125.07923	2.2
127.03928	0.9
131.39555	0.2
142.08638	16.1
143.00177	1.1
143.09082	0.3
143.11754	0.2
144.00528	0.5
145.04977	0.7
158.06017	0.2
161.01239	0.6
161.02942	0.8
162.01573	0.3
170.99588	0.3
172.94287	0.3
185.09251	0.5
185.12813	0.3
189.00729	2.0
190.01097	1.5
198.96234	0.2
201.04106	0.2
207.01752	2.3
208.02086	1.7
215.13907	0.3
222.04413	0.4
232.96414	0.4
260.05191	0.3
268.49997	0.3
286.03363	0.3
286.14038	0.5
292.03311	0.4
304.04214	0.6
304.10742	2.6
304.14740	0.9
305.06210	0.6
305.12256	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	304.1546
Annotation	Fenoterol
Peak:m/z	Relative Intensity
52.76803	0.2
55.01900	0.3
55.05501	0.3
56.05030	0.8
57.03429	0.3
67.05484	0.4
69.03432	2.9
70.06587	0.4
71.04987	0.7
71.44944	0.2
72.53492	0.2
72.84566	0.2
74.06067	0.8
79.05494	0.8
80.05031	0.3
81.03413	0.9
81.07050	1.5
82.06589	0.4
85.02918	0.6
86.09689	0.5
91.05495	1.4
93.07043	3.4
94.06532	0.2
95.04976	0.5
96.08081	0.4
97.02950	0.2
98.06046	0.3
99.04462	1.2
105.07031	0.7
108.32788	0.2
109.02861	0.4
109.06506	1.0
110.06041	0.8
111.08047	0.3
115.03935	0.2
115.05462	0.3
116.06347	0.2
117.07017	0.9
118.06565	0.3
120.08102	1.1
120.62737	0.2
122.09669	0.6
124.07603	0.4
127.03910	1.3
128.06227	0.5
129.07002	0.8
130.06520	0.2
131.08543	0.7
132.08051	0.5
133.06493	0.4
133.10135	0.3
134.09726	0.2
136.07628	0.4
137.05988	0.8
141.07019	0.6
143.08554	1.4
145.06474	0.5
145.10117	0.6
146.11732	0.5
148.07576	2.2
149.08371	0.6
150.09117	1.1
155.08582	1.7
156.08051	0.3
157.10110	1.0
159.08051	0.6
159.11688	0.3
160.07507	0.4
160.11194	0.3
161.06009	0.8
163.07562	0.3
165.06999	0.2
167.08542	0.6
168.10252	0.4
169.10181	0.8
170.09645	0.7
171.08073	0.8
173.06032	0.5
173.09633	0.5
175.07530	0.5
176.10728	0.3
183.08086	0.3
183.11725	0.8
184.11191	0.4
185.09622	1.2
186.09120	0.4
187.07535	0.6
187.11176	0.6
188.07060	0.3
188.10718	0.5
189.09105	0.8
195.07962	0.2
195.11647	1.0
196.08821	0.3
201.09062	0.4
202.12254	0.6
202.94614	0.2
203.10655	0.6
204.10454	0.3
206.11644	0.3
211.11215	0.4
212.10672	0.5
212.14423	0.4
213.09105	0.7
213.12921	0.3
214.12355	0.4
215.10687	0.5
216.10132	0.4
217.10997	0.4
229.12276	0.4
230.11819	2.1
230.15369	0.4
231.10149	0.4
240.13858	2.1
241.12267	0.7
242.15315	0.3
244.09827	0.2
257.11740	0.8
258.12018	0.3
258.14917	3.1
259.09686	0.5
259.13373	0.8
261.11264	1.2
268.13275	1.5
275.12766	0.8
276.15915	0.5
286.14386	6.1
287.13568	0.3
304.15430	100.0
305.15814	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	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29678	0.5
56.05037	23.1
57.07075	24.7
58.06599	13.1
60.04522	3.3
67.05513	0.5
68.05019	1.9
69.03428	0.7
69.07051	0.7
69.62000	2.2
71.08632	14.1
74.06079	22.5
85.10181	5.9
86.06072	3.3
88.07632	2.0
91.05479	0.8
91.83331	0.6
94.29723	0.6
99.90983	0.6
104.07107	0.8
104.99271	1.9
105.06984	0.7
107.08597	0.8
113.05991	1.7
118.08656	7.0
121.06533	1.0
122.08142	35.7
123.08543	0.8
124.19365	0.7
137.05971	1.5
165.09076	0.6
167.07051	0.7
171.82713	0.6
206.11768	0.8
256.26358	2.5
262.98273	0.8
272.10120	0.7
276.15948	2.4
304.12238	1.5
304.15433	6.1
304.28452	100.0
305.20981	0.9
305.28778	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	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05253	0.8
55.05505	6.2
56.05028	1.6
57.03433	1.4
57.07076	6.3
58.06555	0.5
60.04527	32.3
64.20628	0.5
67.05501	5.1
68.05029	2.8
69.03428	0.7
69.07067	6.5
69.46242	2.2
70.06602	0.5
71.04996	0.8
71.08633	3.2
71.99537	0.5
75.21982	0.5
79.05480	3.1
81.07054	7.6
82.06573	1.4
83.04971	2.1
83.08619	5.1
83.92773	0.5
86.06049	1.7
90.05544	1.4
91.05463	0.7
91.83293	0.5
92.77560	0.5
93.07058	2.7
95.08608	7.8
96.08138	0.5
97.06529	1.1
97.10194	2.6
98.22701	0.6
107.08562	1.2
107.69118	0.5
109.10152	3.5
111.11765	1.2
121.10134	1.3
123.11702	1.3
128.99759	0.6
135.11696	1.0
136.66966	0.5
163.46550	0.5
212.23720	1.0
218.56271	0.5
225.22202	1.2
250.25331	7.3
251.23593	2.5
268.26346	15.1
269.26755	0.6
286.27396	40.3
287.27597	3.0
298.25818	0.5
304.28445	100.0
305.28757	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	305.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29958	0.9
55.01849	1.4
62.04229	1.0
63.60517	0.9
63.69967	0.9
67.05503	1.6
71.05002	2.1
78.83411	0.8
79.05514	1.5
81.07038	1.0
83.30616	1.0
91.05484	6.4
93.07040	2.1
95.04988	1.6
98.06063	2.0
105.04504	1.0
105.07031	2.1
107.08583	1.1
111.08092	1.0
119.04892	1.2
121.06509	19.1
123.08085	6.0
125.06022	2.5
127.03873	1.5
134.09665	1.8
137.05962	3.2
139.07536	9.7
149.07118	2.2
150.06778	2.4
150.09210	1.0
151.07541	46.8
152.03645	1.0
152.07845	1.1
154.07779	1.0
165.07060	2.9
166.07860	0.9
167.07072	4.6
167.08475	1.4
177.09103	6.2
181.06476	5.2
182.07333	3.5
183.08035	5.0
187.07597	1.2
190.12299	1.2
194.07278	2.6
195.08102	2.3
197.05908	1.5
197.09631	3.8
198.06810	1.1
199.05829	1.2
199.07541	2.7
208.13327	3.9
210.06773	4.7
211.07526	7.9
212.08267	3.4
213.03648	1.9
213.09138	7.5
217.12299	3.0
223.07626	1.9
225.05487	3.3
225.09108	21.2
226.06297	2.1
226.09920	8.3
227.05183	9.3
227.07065	29.0
227.10619	2.7
228.07710	3.6
236.16325	1.6
237.03587	1.7
238.06268	3.5
239.07137	4.9
240.02408	2.3
240.07822	9.8
241.08582	12.7
242.09381	100.0
243.04710	1.5
243.10112	17.0
244.05472	3.9
245.11844	2.0
253.08612	36.1
254.09300	9.2
255.04750	14.7
256.05469	1.4
259.07968	5.1
259.13260	4.2
263.12839	1.9
269.06274	4.7
270.07101	9.8
272.04916	2.1
273.05792	10.2
273.11096	1.4
277.14252	2.2
278.17517	2.1
287.07394	98.3
288.08002	16.3
305.08426	84.1
305.13412	16.0
306.08759	5.6
306.13760	1.6
306.17044	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	305.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	8.5
69.07063	11.4
70.06590	33.4
70.15740	14.8
71.77473	6.5
72.08149	15.5
72.46417	8.2
84.04464	8.4
84.08144	34.3
86.09702	29.8
87.35854	7.6
98.23417	10.2
98.73537	7.5
98.97556	7.5
116.07092	6.5
128.67909	7.1
137.05981	33.1
139.03902	83.3
147.04388	17.7
169.77972	7.7
208.97481	6.2
305.09967	100.0
305.18427	7.4
306.16998	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1016
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
55.01867	1.3
65.03928	0.9
67.01881	0.1
67.05500	1.1
68.99776	1.0
69.03423	0.3
70.71834	0.2
71.04967	0.2
79.05489	0.4
81.07053	0.2
83.04963	0.8
85.02905	0.2
91.05470	1.3
93.03391	1.0
94.04179	0.6
95.04967	1.8
97.02880	0.7
102.19658	0.1
105.07034	0.4
107.04939	0.5
109.06538	0.3
111.04440	3.1
115.05447	0.7
119.04940	3.9
121.02887	0.4
122.03642	2.2
123.04429	1.3
125.02416	0.2
127.03899	0.2
131.04924	0.2
133.02806	0.3
133.06456	1.3
135.04390	0.7
137.05968	57.3
138.06314	1.2
139.03888	100.0
140.04228	1.8
143.04926	1.8
143.91960	0.2
147.04395	21.6
148.04752	0.6
151.03897	1.3
151.07520	0.6
153.05428	1.0
160.05150	0.6
161.05969	2.3
163.03894	1.1
165.09117	0.3
167.07072	0.2
175.07530	3.7
176.04596	0.2
177.05490	0.5
179.07021	5.7
181.04950	1.5
181.06456	0.2
189.05382	0.4
191.06944	0.4
193.08588	1.9
203.07018	0.8
217.03577	0.2
219.10051	0.2
221.06032	0.3
221.08073	3.7
245.07985	0.3
254.65550	0.2
263.08981	0.8
287.09070	0.8
289.06949	0.2
305.10172	4.2
305.23022	0.2
306.17172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.102
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.80778	0.3
55.01862	0.9
65.03945	0.4
67.05499	1.2
68.99786	1.2
69.09359	2.1
83.04988	0.7
91.05490	0.8
93.03398	0.8
94.04184	0.5
95.04973	1.7
105.35091	0.4
107.04913	0.4
111.04441	2.6
114.05201	0.3
119.04932	3.3
122.03666	2.0
123.04462	0.6
133.06503	1.2
135.04404	0.5
137.05983	52.8
138.06285	0.6
139.03905	100.0
140.04230	1.9
143.04955	1.6
147.04413	21.1
148.04744	0.7
151.03944	1.3
151.07506	0.4
153.05457	1.0
160.05138	0.6
161.05998	2.0
163.03877	1.0
175.07533	3.6
179.07036	5.8
181.04987	1.5
189.05482	0.5
191.07120	0.6
193.08548	2.0
203.07065	0.8
221.08112	3.6
230.62604	0.4
263.09070	0.6
305.06516	0.4
305.10168	3.6
306.20682	1.3
310.23807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.102
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.03951	0.2
55.01874	1.4
65.03912	1.0
67.01858	0.4
67.05504	1.3
68.99780	1.4
69.03422	0.5
70.06577	0.3
79.05489	0.3
80.52560	0.2
81.07044	0.5
82.89104	0.3
83.04986	1.0
85.02866	0.3
87.65876	0.2
91.05461	1.5
93.03391	0.9
94.04169	0.6
95.04976	2.1
95.08638	0.3
97.02885	0.7
97.72669	0.2
105.07020	0.4
107.04947	0.5
107.08606	0.3
111.00735	0.2
111.04442	3.2
115.05450	1.1
119.04945	4.4
119.08477	0.2
121.02876	0.3
122.03651	2.3
123.04427	0.2
127.03924	0.3
130.77831	0.2
131.04892	0.2
133.02893	0.3
133.06470	1.0
135.04414	0.7
137.05974	56.5
138.06293	1.1
139.03894	100.0
140.04233	2.4
143.04926	1.9
147.04402	23.3
148.04749	0.5
151.03896	1.1
151.07529	0.2
153.05437	0.9
160.05168	0.9
161.05984	2.8
163.03889	0.8
165.09088	0.4
175.07535	3.9
177.05479	0.4
179.07025	5.2
181.04930	1.7
188.04854	0.2
189.05515	0.5
191.07057	0.4
193.08607	2.3
203.07050	0.8
216.94424	0.2
218.09879	0.2
221.08067	3.7
263.09088	0.5
287.09064	0.5
305.10184	3.6
305.15500	0.4
306.16898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
67.05500	1.3
69.07066	0.5
70.44318	0.5
77.03942	0.9
79.05518	0.5
81.07063	1.3
91.05476	3.3
93.05756	0.4
93.07046	2.6
94.06573	0.8
95.04947	1.6
95.08607	1.0
96.08125	0.8
98.06940	0.3
105.04504	0.8
107.08598	0.6
108.04512	0.3
108.08136	1.7
109.10111	0.4
112.75816	0.3
121.10098	0.5
122.06041	2.8
123.11671	0.5
124.07589	9.7
126.05492	0.9
133.10172	0.4
135.11758	0.3
136.07571	100.0
137.07933	2.7
138.09114	0.7
140.07027	0.6
150.05510	0.3
152.07060	19.5
152.63361	0.3
153.07373	0.7
161.13371	0.2
164.07059	76.1
165.07423	2.4
166.08606	0.3
170.08141	4.7
182.08128	18.2
183.08395	0.8
242.61324	0.3
287.10742	0.3
287.13861	5.2
305.15070	1.4
305.24677	0.6
306.17020	0.6
306.20456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.48018	0.2
57.07902	0.2
63.21066	0.3
67.05512	1.0
69.07034	0.3
69.46673	1.1
70.88190	0.2
77.03546	0.2
77.03949	0.8
78.04684	0.2
79.05499	0.7
80.16654	0.3
81.07060	1.4
84.08176	1.4
91.05476	2.9
93.05763	0.5
93.07051	2.3
94.06580	0.7
95.04951	1.2
95.08604	0.6
96.08133	0.9
97.06538	0.3
107.08620	0.3
108.04489	0.5
108.08142	1.4
122.06032	3.9
123.11729	0.3
124.07594	10.2
125.07902	0.3
126.05523	0.9
132.08411	1.5
133.10156	0.4
133.55879	0.2
136.07581	100.0
137.07945	2.2
138.09172	0.6
140.07077	0.6
143.34053	0.2
149.13347	0.3
150.05513	0.6
152.07074	21.7
153.07382	0.5
160.19548	0.2
164.07069	85.4
165.07460	2.2
166.08601	0.6
170.08141	5.4
182.08134	19.0
183.08459	0.3
183.32230	0.3
184.09711	0.4
275.07013	0.3
287.10703	0.3
287.13913	5.8
305.05408	1.2
305.14944	1.5
305.18741	0.5
305.24692	0.6
306.20502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58936	3.6
55.01871	11.9
55.05505	45.4
57.03445	48.2
57.07067	8.2
59.04984	4.1
59.56480	3.3
60.04523	18.5
61.16317	3.6
65.03925	4.2
67.05510	34.8
67.63223	3.1
69.07065	17.1
70.06657	11.4
71.04987	11.3
71.08620	3.9
77.67090	3.5
79.05491	48.4
81.03375	5.9
81.07058	56.2
83.04977	11.4
83.08624	20.3
85.06544	13.4
88.07647	6.5
91.05487	66.4
91.98554	3.7
92.05803	4.4
93.07065	28.4
94.07430	3.7
95.04955	7.0
95.08623	22.7
96.08942	6.3
97.06513	5.1
97.10177	29.6
98.06068	7.6
98.23421	4.1
105.07029	29.1
107.04946	8.6
107.08585	31.1
108.13506	3.8
109.06510	17.5
109.10163	11.9
111.08096	7.7
112.49519	3.2
117.07026	32.8
119.08583	43.5
120.08878	3.9
121.06504	9.2
121.10144	13.2
123.08060	6.1
125.09627	28.0
129.07013	14.2
131.08583	35.6
133.10135	13.0
135.08052	21.9
135.11667	4.6
137.05978	39.3
137.09648	4.9
143.08560	13.3
145.10143	27.2
147.08069	43.6
147.11685	6.9
147.39171	3.4
149.09593	7.8
153.09148	5.9
157.10153	15.6
157.12190	3.8
159.11688	12.5
161.09608	9.0
171.11729	7.5
175.11165	6.3
183.11732	5.3
190.12445	3.4
199.14821	7.1
201.12679	5.8
203.12799	33.7
208.13329	28.5
217.15889	25.3
237.16310	4.4
255.17389	11.6
269.26834	4.5
273.18488	100.0
274.18878	6.2
275.22794	4.3
278.17538	8.7
287.27722	22.1
304.31134	7.8
305.15628	11.0
305.20999	87.8
305.28583	61.9
305.31982	28.2
306.16995	80.5
306.20636	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	305.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01877	7.7
55.05255	4.2
55.05515	57.8
57.03431	6.1
57.07072	7.0
59.04995	8.3
60.04543	14.0
65.03920	3.6
66.92361	2.7
67.05508	67.4
67.37792	3.1
69.03426	6.6
69.07067	30.7
70.06586	5.3
70.07407	3.8
70.40822	2.6
71.04984	11.3
71.08618	5.3
73.53093	2.5
79.05492	64.1
79.23777	3.1
81.03393	4.6
81.07056	96.3
82.07407	3.4
83.04984	10.8
83.08627	19.4
84.84817	3.1
85.06533	9.7
88.07642	3.6
90.05547	2.9
91.05482	93.2
93.06447	4.7
93.07047	85.0
95.04969	19.9
95.08604	55.2
97.06542	9.9
97.10165	20.2
99.08090	3.4
103.05518	3.0
105.07031	77.3
107.04951	11.4
107.08591	46.5
107.09251	4.1
109.06523	15.6
109.10147	15.1
111.08101	6.5
115.05446	6.2
117.07018	43.6
117.40198	2.7
119.08571	45.3
121.06473	15.5
121.10143	37.9
123.08062	13.2
123.11724	4.3
125.09657	19.7
128.05421	2.5
128.06215	15.8
129.06984	18.8
130.07803	9.4
131.08572	100.0
133.06503	7.9
133.10121	32.7
134.09616	3.7
135.08078	9.4
135.11705	15.4
137.05988	36.6
137.09602	5.5
139.11188	14.1
141.06947	4.9
141.09087	2.9
142.07816	3.0
143.08566	82.4
144.09026	4.2
145.10129	100.0
147.08078	14.7
147.11684	15.0
149.09604	13.7
149.13315	3.6
151.11206	5.2
155.08600	5.4
157.10130	31.5
159.10286	6.2
159.11694	22.9
161.09634	16.7
161.13275	4.1
163.11177	6.3
165.12874	4.4
169.10132	18.1
171.11682	19.3
173.09718	3.6
173.13249	6.7
175.11261	6.8
181.10204	7.9
182.10823	4.4
183.11707	13.6
185.13240	6.5
195.11708	20.0
199.11113	4.3
199.14833	4.1
201.12787	3.3
201.16441	3.5
208.13339	11.2
211.14890	5.0
213.12724	5.4
227.18001	8.9
237.16393	23.0
245.19025	8.4
251.25574	3.8
255.17429	15.4
269.26767	8.9
273.18460	37.9
277.21707	4.6
278.17337	6.6
287.16980	2.7
287.20056	11.5
287.27710	20.6
304.31055	4.7
305.15692	6.6
305.21329	24.8
305.24756	6.3
305.28564	58.1
305.31808	19.2
306.17004	42.1
306.20358	4.2
306.22015	3.6
309.70789	2.8
324.79834	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	305.2114
Annotation	Agallochin I
Peak:m/z	Relative Intensity
51.54364	3.2
54.16975	3.4
55.05512	18.5
57.03460	3.4
57.07065	4.2
58.06612	4.1
59.05004	42.8
64.97816	3.4
65.44652	3.5
67.05505	14.5
69.03451	4.1
69.07086	9.1
69.28104	17.4
71.04984	4.1
73.06574	6.3
73.99535	3.7
75.04473	5.2
79.05511	11.7
81.07066	13.0
83.04964	6.8
83.08585	4.0
85.06545	28.0
86.06972	3.0
91.05484	45.1
93.07046	26.3
95.04972	6.9
95.08623	17.6
97.06557	5.8
99.04469	4.5
105.07027	30.5
107.08591	20.6
109.06529	10.9
109.10163	9.1
111.08051	4.7
111.21993	3.6
113.06074	4.0
116.06195	4.1
117.07023	10.4
119.06036	4.4
119.08586	26.6
121.06507	5.9
121.10154	44.6
123.08095	18.3
125.09634	13.1
129.07066	4.9
131.08565	16.3
133.06479	9.3
133.10147	13.6
135.08078	16.6
137.05981	8.3
137.09554	4.5
143.08578	7.7
145.10132	22.5
147.08046	3.9
147.11691	7.4
149.09608	35.5
150.10400	44.6
151.11212	35.8
156.09375	6.2
157.10106	19.7
159.08041	4.4
159.11671	10.1
161.09682	3.6
163.11218	4.9
163.92778	3.5
165.09088	17.1
167.10599	18.5
169.10188	3.8
171.11691	10.8
173.13257	7.8
175.11253	4.8
177.12802	7.3
181.10231	6.2
182.10945	5.7
183.11687	3.8
189.12857	5.9
191.14268	3.6
195.11765	7.0
197.13219	13.2
199.11208	10.7
200.12125	4.0
203.17854	4.0
205.12257	20.0
205.15891	6.7
207.11768	5.2
208.13371	6.1
213.16397	4.4
215.14288	10.7
222.13979	5.0
229.15929	6.1
231.13866	6.7
233.15442	6.4
237.16447	13.5
255.17432	15.1
269.18997	7.2
287.20084	61.0
288.20450	5.1
305.15726	4.9
305.21170	100.0
305.24780	5.5
305.30237	7.2
306.13647	6.6
306.16937	35.3
306.20425	4.5
306.21637	4.2
306.27875	8.2
323.12067	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	306.17
Annotation	Tuberostemoamide
Peak:m/z	Relative Intensity
51.37734	0.3
55.01872	1.8
55.05494	0.4
56.75658	0.4
62.20863	0.3
67.05490	0.5
69.03434	1.5
69.76387	0.7
69.76757	0.5
70.06561	0.8
71.04976	0.6
79.05481	0.6
80.05029	0.4
81.07046	0.8
84.04466	0.4
91.05446	0.8
93.07014	0.7
94.06550	0.6
95.08588	0.4
95.65154	0.3
96.08121	0.3
97.02872	0.5
98.06043	0.8
105.07024	0.4
106.34637	0.3
107.08546	0.4
108.08100	0.6
109.06495	0.4
111.08047	0.4
117.06988	0.5
119.08562	0.6
120.08090	0.5
122.09620	0.5
125.05965	0.9
133.10045	0.3
134.09627	1.3
136.07454	0.3
136.11186	0.4
137.05951	1.1
139.03868	0.6
141.01228	0.3
143.08501	0.3
150.09171	0.7
158.05945	0.6
162.09171	0.4
166.08620	1.2
178.12273	0.4
182.11578	0.3
190.12239	0.5
204.10417	0.4
204.13829	1.2
206.11713	2.5
208.13297	1.2
232.13318	50.4
233.13618	2.2
242.15306	0.3
247.24954	0.3
248.12793	0.7
260.16492	1.2
278.17569	0.7
288.16006	0.8
304.18015	0.3
306.16989	100.0
307.17386	4.5
309.23730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Convolamine
Peak:m/z	Relative Intensity
50.38528	0.4
50.54200	0.4
53.03932	0.7
55.05511	1.7
55.37925	0.4
67.05496	2.1
67.35947	0.5
68.05023	3.3
69.03415	2.0
69.07069	0.8
69.30656	0.8
69.31061	2.0
70.06229	0.8
70.06591	10.3
70.84163	0.5
72.26863	0.4
73.46404	0.5
79.05486	3.5
80.04987	0.7
81.07050	2.0
83.61755	0.5
83.76900	0.4
84.04506	7.3
84.08175	0.5
86.06081	2.6
93.07035	1.3
94.87226	0.4
95.04948	0.6
95.08599	6.8
96.04491	15.8
97.10203	0.6
98.06052	75.6
99.04477	2.6
99.06382	1.3
105.07030	1.9
107.08592	9.0
108.08132	0.6
109.02876	1.3
109.06516	0.5
110.06005	0.7
110.09687	0.6
120.08134	0.5
121.06510	0.6
121.69345	0.4
122.09666	1.9
123.08067	2.3
124.07559	1.0
125.09624	1.5
127.03939	0.6
132.08047	0.5
134.09677	0.8
136.07536	0.8
136.11217	0.8
137.05968	1.6
138.09135	0.8
138.12769	0.7
148.07607	0.5
150.09135	11.1
150.10265	0.9
151.09885	1.6
152.10663	0.9
155.46141	0.4
156.31244	0.4
162.12750	1.1
164.14391	0.6
175.11220	0.6
180.13843	5.9
189.89299	0.4
190.12224	4.2
208.13319	100.0
209.13605	4.6
260.16409	0.8
274.17981	0.6
288.15982	3.6
306.17038	90.0
306.20581	14.1
307.17291	6.5
307.20557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.17
Annotation	Tuberostemoamide
Peak:m/z	Relative Intensity
50.08686	0.3
55.01868	0.7
60.49390	0.3
67.05497	0.3
69.28021	0.2
71.04977	0.3
80.05027	0.4
83.04964	0.5
91.05477	0.8
93.07032	1.0
94.06570	0.3
96.72849	0.2
105.07033	0.3
106.06544	0.6
117.07023	0.3
119.07325	0.3
120.08086	0.6
123.04433	0.3
125.05989	0.4
129.06982	0.3
132.08078	0.7
134.09654	32.1
135.10042	0.6
139.42284	0.3
144.08113	0.4
146.09634	0.9
147.10403	0.3
148.11205	0.3
150.09221	0.3
158.09641	1.2
160.07588	0.4
160.11220	1.5
162.09146	0.3
162.12796	0.7
172.11232	0.6
174.09198	0.2
174.12692	0.3
176.10670	0.4
186.12773	1.3
190.12292	0.5
192.10362	0.3
200.10762	0.5
204.13878	0.6
206.11812	0.4
208.13316	1.0
214.12227	1.4
214.15819	0.3
218.11687	0.8
230.11752	0.3
231.12456	0.3
232.13319	9.0
232.16835	0.4
233.14091	6.5
234.14641	0.4
242.15392	0.7
260.16464	7.6
278.17480	2.5
288.15912	2.2
306.16983	100.0
307.17325	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
55.01872	0.2
55.05515	0.2
58.02955	0.2
66.04707	0.2
67.05495	0.4
68.15833	0.1
69.07062	1.0
70.75178	0.1
75.36611	0.1
76.85640	0.1
78.74611	0.1
79.05507	0.6
81.07078	0.6
83.08621	0.2
83.56232	0.1
84.06924	0.1
85.89515	0.1
86.06062	0.2
91.05489	0.6
93.07039	0.5
94.04173	1.7
95.04978	0.1
95.08599	0.3
97.06541	0.3
100.07613	0.3
105.07037	0.2
107.04935	0.4
107.08605	0.7
109.06527	0.3
109.10175	0.8
111.08029	0.1
114.09177	0.4
122.03647	6.1
123.03997	0.1
123.11675	0.1
126.09174	0.5
133.10117	0.9
135.11693	1.1
137.05977	100.0
138.06306	3.0
147.11743	0.2
151.11180	0.5
153.12727	1.0
162.46117	0.1
165.12787	0.1
170.15413	2.2
175.43640	0.1
182.15405	3.2
201.87852	0.1
306.17249	0.2
306.20590	1.4
307.21091	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	306.2063
Annotation	9-Demethylprotoemetinol
Peak:m/z	Relative Intensity
50.82080	0.1
55.05509	0.3
67.05498	0.3
69.03429	0.7
69.35104	0.1
70.06592	1.9
79.05472	0.3
80.05015	0.2
81.05792	0.1
81.07059	1.5
82.06565	0.4
83.07357	1.2
84.07671	0.3
84.08148	2.6
91.05483	0.2
93.07043	0.6
94.06550	0.4
95.07371	0.2
95.08609	1.0
96.08144	1.1
97.02882	0.2
97.08914	0.4
98.06042	0.2
98.09663	0.7
99.04453	0.7
105.06983	0.2
107.08566	0.2
108.08115	1.4
109.06513	0.7
109.08925	0.3
110.09691	0.8
111.04433	0.2
113.06000	0.2
117.84240	0.1
119.07328	0.1
119.08511	0.1
120.08099	0.6
121.08888	0.2
122.09667	4.4
122.10546	0.3
123.04408	0.3
123.10498	0.7
124.11229	0.5
125.09615	0.2
127.03907	2.7
131.11952	0.1
134.09656	0.7
135.10437	0.3
136.11214	14.0
137.05978	3.6
137.12029	2.2
138.12776	4.0
148.11243	0.2
150.12775	1.3
151.13620	0.2
158.09677	0.2
159.11600	0.1
160.11293	0.1
162.12762	0.5
164.14352	4.7
166.15771	0.1
167.06972	0.2
169.08611	0.3
174.12834	0.2
178.08647	0.3
178.15892	1.2
179.16693	0.5
190.12241	0.2
194.15257	0.2
202.08630	0.7
206.15460	0.2
208.13345	0.3
217.10898	0.4
228.17397	0.4
246.18515	1.3
248.20088	0.2
256.16986	0.3
264.15964	0.2
274.17996	6.2
275.18375	0.5
278.21149	0.5
288.19412	0.2
306.20612	100.0
307.20959	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.3
57.07082	4.0
58.06596	1.5
68.05024	0.3
70.06593	17.7
71.08633	2.4
72.08154	2.3
84.08141	2.9
86.09704	3.6
87.04468	0.5
88.07626	2.3
89.06003	0.5
100.07597	0.3
114.09161	1.1
120.00826	0.3
132.10207	9.6
146.11760	10.2
147.45995	0.3
152.30461	0.3
156.17500	2.8
165.02167	0.3
182.19043	1.0
200.20088	1.3
208.13286	0.5
225.17479	0.3
244.22720	48.9
245.23035	2.0
306.17316	1.7
306.26382	100.0
307.26730	5.9
307.30161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05013	0.3
57.06828	0.4
57.07076	6.0
58.06609	1.8
63.95869	0.2
67.15943	0.2
69.03436	0.3
69.07058	0.6
69.50365	1.1
70.06592	19.9
71.08633	3.6
72.08164	1.5
79.05478	0.4
81.07076	0.6
84.08150	1.7
85.02844	0.5
86.09705	1.9
88.07630	16.8
89.06010	1.0
93.07047	0.5
95.08591	0.5
102.09181	10.3
114.09187	0.4
130.10539	0.3
132.10202	4.7
145.10107	0.3
146.11754	4.4
156.17505	2.1
176.12782	0.3
176.14311	0.4
182.19041	0.4
200.20094	38.2
201.20464	1.5
205.00090	0.3
218.03297	0.3
244.22723	21.4
245.23160	1.4
278.17603	0.3
288.25363	2.6
306.17514	2.9
306.26379	100.0
307.17508	0.3
307.26675	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	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01870	0.8
55.05513	7.3
56.05029	0.2
57.03433	0.1
57.07072	1.0
62.00625	0.1
65.03938	0.4
67.05505	8.7
68.05825	0.3
69.03433	0.2
69.07067	7.2
70.06608	0.2
70.07407	0.2
71.04971	0.5
71.08645	0.2
71.43981	0.1
72.04512	0.6
74.55264	0.1
79.05491	2.3
81.07058	7.4
82.06596	0.2
83.04979	0.3
83.08624	2.7
84.04502	0.1
85.05285	2.1
85.06510	0.2
86.06058	0.8
91.05490	1.0
93.07043	1.8
94.06556	0.2
95.04975	0.3
95.08604	4.8
96.08114	0.3
97.06560	0.3
97.10173	0.9
98.06054	13.6
99.06863	0.3
105.07040	0.9
107.04992	0.1
107.08597	1.1
108.08066	0.2
109.06525	0.3
109.10154	1.4
110.09668	0.4
111.08086	0.3
112.07601	1.6
113.17933	0.1
117.06958	0.2
119.08571	0.8
120.08087	0.2
121.06509	0.2
121.10130	0.7
122.03746	0.1
122.09657	0.2
123.08031	0.2
123.11729	0.7
124.07602	0.3
124.11236	0.3
125.08382	0.2
126.09132	0.6
131.08531	0.2
133.10118	0.5
134.09637	0.3
135.11658	0.3
137.05957	0.8
138.09135	0.5
140.10686	0.6
145.10118	0.2
147.11661	0.3
149.13263	0.2
150.09355	0.1
152.10687	0.4
154.12271	0.6
161.13242	0.2
166.12321	0.2
168.13823	0.4
179.14322	0.1
180.13818	0.3
182.15379	0.5
190.12296	0.2
194.15434	0.3
196.16919	0.5
208.13283	0.7
208.16933	0.8
210.18484	0.2
222.18524	0.5
224.20197	0.3
236.20049	0.5
250.21750	0.3
275.19913	0.2
278.17517	0.5
289.25488	0.2
306.17084	3.1
306.27899	100.0
307.17249	0.3
307.22931	1.9
307.28275	6.8
307.54068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01868	0.7
55.05514	7.3
55.87229	0.1
56.05024	0.3
57.03447	0.1
57.07080	0.8
65.03931	0.4
67.05507	9.5
68.05824	0.2
69.03419	0.2
69.07069	8.1
69.27913	0.7
70.06583	0.2
71.04976	0.3
71.08617	0.2
72.04504	0.5
78.03258	0.1
79.05492	2.4
81.07058	8.0
82.06584	0.3
82.07369	0.1
83.04972	0.2
83.08620	2.3
84.04489	0.3
85.05285	2.3
85.10153	0.1
86.06080	1.1
91.05479	1.0
93.07042	1.7
94.06529	0.2
95.04974	0.3
95.08610	5.5
96.08115	0.4
97.06536	0.2
97.10162	1.0
98.06055	15.4
98.09701	0.1
99.06303	0.1
99.06840	0.4
105.07027	1.0
107.08598	1.0
108.08122	0.2
109.10155	1.7
110.09663	0.6
111.06764	0.1
111.08047	0.1
112.07597	1.9
119.08587	0.5
121.10151	0.6
123.11700	0.4
124.07597	0.5
124.11220	0.4
125.08321	0.2
126.09187	0.7
131.08481	0.1
133.10101	0.5
134.09653	0.3
135.11722	0.4
137.06001	0.5
137.13213	0.3
138.09143	0.4
140.10713	0.7
147.11761	0.2
148.93401	0.1
149.13229	0.1
152.10716	0.3
154.12228	0.7
161.13217	0.2
166.12276	0.2
168.13843	0.5
180.13727	0.3
182.15446	0.4
194.15477	0.4
196.16983	0.7
208.13310	0.9
208.17006	1.0
210.18585	0.2
220.17854	0.1
222.18500	0.8
236.20105	0.6
238.21680	0.2
250.21690	0.3
255.17616	0.1
275.20032	0.2
278.17444	0.4
306.17059	3.0
306.27905	100.0
307.17358	0.2
307.28241	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	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
56.96540	0.4
57.03429	0.6
58.99574	0.3
61.89003	0.4
69.03436	2.2
70.06575	1.3
71.04993	0.8
71.45878	0.4
73.68171	0.4
76.02216	0.9
76.74480	0.3
78.46426	0.4
81.03420	1.2
81.04536	1.3
81.07028	0.4
84.04526	0.4
84.08147	2.5
85.02893	2.9
85.73332	0.4
86.09692	0.5
95.04948	0.4
96.91927	0.3
97.02898	3.6
98.97562	0.7
99.04466	1.8
101.00877	2.5
109.02866	1.5
111.04462	0.6
111.08092	2.5
116.98567	0.5
119.01942	5.5
122.07150	12.8
127.03909	6.4
137.02956	1.2
137.05937	0.4
144.04790	6.7
145.04967	1.7
158.99879	1.3
162.02127	0.5
164.08200	11.2
177.00945	10.9
178.01019	1.0
201.00954	1.5
206.15556	0.5
217.03996	2.9
219.02010	18.7
220.02161	1.7
220.13351	0.4
225.00818	3.1
234.14798	2.1
243.01970	10.6
244.02016	0.8
261.03055	100.0
262.03180	9.5
262.14212	1.9
265.02847	0.6
284.04648	4.5
301.97348	0.6
302.96701	0.5
307.12210	1.3
307.17017	0.9
308.12088	0.4
308.14905	7.9
308.18561	11.2
314.34119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	22.8
82.88775	3.1
84.96043	5.2
87.87988	3.0
98.09696	3.6
98.97581	53.9
99.10043	2.6
101.00876	5.5
110.97565	16.8
112.99129	2.6
116.98610	17.7
119.01945	8.5
126.76809	2.7
128.98607	11.4
134.99585	2.6
135.77074	3.0
141.81364	2.8
141.89838	2.6
143.00172	9.0
146.99612	4.7
152.98622	7.8
158.99651	7.1
170.99648	6.2
177.00771	3.2
189.00690	3.5
190.95435	2.8
201.00685	3.0
219.01730	14.5
221.97762	2.7
223.20052	2.8
230.98389	4.0
237.02869	10.5
247.02814	4.7
247.05000	6.0
253.98553	4.2
265.05917	44.0
274.97485	3.0
283.06979	8.5
292.98703	3.4
301.99612	5.0
307.07727	100.0
307.15778	6.9
308.08508	4.5
308.18570	6.0
320.80957	2.7
325.08026	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	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50732	3.0
70.37466	5.5
101.00884	3.2
142.15137	3.4
151.15994	3.1
178.18080	3.3
186.34779	3.2
232.84991	3.2
307.07510	100.0
308.08044	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	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37579	0.3
67.05509	0.7
69.03421	0.4
77.03928	0.4
79.05490	0.7
81.07064	0.8
91.05481	1.2
93.07041	1.3
94.06556	0.5
95.04991	0.5
95.07310	0.4
95.08668	0.3
96.08148	0.7
108.08129	1.0
110.09685	0.4
111.08097	1.0
121.10102	0.3
122.06033	1.9
123.06818	1.3
124.07594	7.8
126.05498	0.5
126.09158	4.5
136.07581	53.3
137.07924	1.3
138.09146	51.8
139.09465	1.2
140.07086	1.1
150.05518	0.4
152.05804	0.6
152.07069	17.8
164.07068	100.0
165.07452	2.6
166.51213	0.3
170.08141	6.0
182.08134	23.3
183.08440	0.5
192.17307	0.3
227.52550	0.3
234.14958	0.4
289.15460	5.3
307.16620	2.7
307.20822	2.5
308.18454	3.0
308.22092	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	307.1903
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01868	5.0
55.05511	16.1
57.03435	13.8
67.05510	11.5
69.03424	7.3
69.07037	2.5
70.06595	5.2
71.04976	2.8
77.87523	1.5
79.05497	13.1
80.94815	1.6
81.03430	1.7
81.07043	8.7
83.04977	2.0
83.08627	7.3
83.18597	1.7
91.05469	10.4
93.07040	11.0
95.04957	4.0
95.08606	3.9
97.10184	12.1
98.98456	2.3
105.07011	6.4
106.64970	1.5
107.04955	6.4
107.08575	5.6
109.06519	3.3
109.10127	2.9
110.95892	1.6
111.08082	30.6
111.62022	1.9
117.07002	6.7
119.08563	5.2
121.06503	7.2
123.08017	2.3
125.09673	7.8
129.07076	2.2
131.08589	4.8
133.10068	2.0
135.08052	7.7
145.06477	2.9
145.10164	2.6
147.08037	5.6
149.05981	9.6
155.08673	2.8
159.08055	21.4
159.11638	2.0
161.09630	2.1
164.92056	5.8
167.04924	1.8
171.07771	1.7
173.09622	2.9
177.09163	2.2
185.09612	2.1
187.14885	4.2
189.11238	4.7
195.23192	2.2
206.15421	4.5
208.13329	2.1
209.13618	3.0
215.14288	4.9
233.15479	10.9
234.14841	16.1
243.17444	3.5
244.56046	1.5
261.03018	7.6
265.00803	5.7
271.16888	16.8
279.17859	2.0
280.18942	3.8
289.17987	49.4
290.18347	4.7
307.08755	1.8
307.17148	9.8
308.18549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
55.05508	7.2
57.03429	2.1
59.04990	3.9
67.05521	7.4
69.03448	4.2
69.07053	5.3
70.06585	4.9
71.41013	1.6
75.72780	1.5
79.05498	10.0
81.07056	11.8
82.82181	1.5
83.04985	1.9
83.08622	3.6
91.05488	13.5
93.07047	8.6
93.81297	1.6
95.04970	12.3
95.08611	5.7
96.34787	1.5
97.06521	8.5
97.10201	2.3
103.05444	2.5
105.07037	19.2
107.08609	6.4
109.06496	3.7
109.10164	2.9
111.08086	12.9
117.07017	9.0
119.08589	35.7
121.10160	5.2
123.08054	2.7
125.09625	2.1
128.06252	6.7
129.07039	7.0
130.00333	1.5
131.08580	12.7
132.86890	1.6
133.10132	20.8
135.08084	2.9
141.07002	5.8
142.07803	6.1
143.08565	13.7
144.09337	3.1
145.06589	1.6
145.10130	11.3
147.08055	4.8
147.11662	3.1
153.06918	1.8
154.07805	3.1
155.01082	1.9
155.08577	6.6
156.09354	4.3
156.77681	1.7
157.10172	13.2
158.10939	4.1
159.08041	8.6
159.11676	8.7
161.09673	4.3
165.07005	2.3
167.08627	9.3
168.09314	1.9
169.10110	14.2
170.10930	2.1
171.11690	6.3
173.13287	8.7
179.08540	4.4
181.10114	7.6
182.10886	8.4
183.11674	5.8
184.12428	1.8
185.13280	2.2
187.11130	3.1
193.10178	6.2
194.10974	3.3
195.11703	6.6
196.12482	2.6
197.13264	13.2
199.14772	2.3
206.10918	5.2
207.11636	4.3
208.12419	4.8
209.13242	10.0
210.13947	1.9
211.14885	3.4
219.11641	2.1
220.12381	3.2
221.04036	1.8
221.13254	6.7
223.14821	6.8
224.15671	2.2
233.13251	6.0
234.14793	6.4
235.14726	2.8
236.14372	2.0
237.16391	3.5
245.13243	2.3
247.14827	4.1
248.15707	2.9
250.16132	1.6
251.14317	3.2
259.14871	4.7
261.03098	5.8
262.03308	1.8
263.18033	6.1
271.16934	2.5
274.17001	2.4
278.19168	2.5
279.20633	1.6
289.19437	4.7
307.17642	3.0
307.20593	28.0
308.18542	43.4
308.23737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
54.26882	2.9
55.01871	12.9
55.05259	4.7
55.05512	74.1
57.03431	12.0
67.05509	61.6
69.03427	8.8
69.07057	16.5
70.72261	4.4
71.05006	3.2
79.05499	100.0
81.03397	3.5
81.07057	55.3
83.04984	31.3
83.08613	27.9
85.06535	6.1
91.05486	50.7
93.07048	61.7
95.04956	15.2
95.08596	25.3
97.06516	6.7
97.10169	45.1
99.08069	3.4
105.07030	49.4
107.04964	35.1
107.08603	94.2
108.08942	3.3
109.06499	6.3
109.10139	24.0
109.28750	3.0
111.08087	14.7
117.06980	15.5
119.08594	35.4
121.06497	5.6
121.10147	22.1
123.11713	10.5
125.08718	4.0
125.09649	68.9
129.06993	6.5
131.08531	16.6
133.10155	22.2
135.08067	23.8
135.11703	11.0
137.09593	3.5
143.08583	3.5
145.10167	19.0
147.08139	3.5
147.11641	20.1
149.09631	68.1
149.13324	3.0
153.09096	14.3
159.11708	14.9
161.13252	7.7
163.11198	5.0
163.14856	5.4
169.10097	3.5
169.12270	5.7
171.10246	4.3
171.11696	4.9
173.11775	5.1
173.13277	6.2
185.11681	3.2
185.13176	4.5
191.14293	6.9
201.16446	3.7
203.12785	57.5
209.15361	11.2
216.77609	3.1
219.17497	33.9
229.19461	6.7
233.77252	3.0
247.20604	5.3
257.19003	18.0
275.20068	71.6
294.10907	3.3
301.96323	3.1
307.17291	14.9
307.22791	7.4
308.18536	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03945	4.4
55.01878	11.8
55.05261	2.4
55.05514	34.1
57.03435	11.6
57.07072	5.3
59.04991	5.0
63.84727	2.2
65.03933	2.5
67.05508	76.5
68.05811	2.5
69.03432	6.6
69.07070	44.0
71.04995	5.3
79.05495	40.2
81.03417	8.1
81.07057	84.1
81.75859	2.0
82.07369	2.5
83.04991	11.9
83.08629	16.7
85.06523	5.4
91.05481	44.6
93.07047	49.3
95.04966	37.4
95.08601	52.7
97.06540	18.7
97.10155	6.0
97.49792	2.0
98.06055	5.6
98.37659	2.2
98.62971	2.0
105.07031	53.3
106.07341	2.3
107.04932	8.8
107.08589	27.5
109.06507	16.9
109.10160	21.6
111.08082	15.9
113.09618	2.5
117.07030	16.9
119.08580	47.7
121.06470	5.4
121.10152	25.6
123.08079	20.7
123.11713	11.7
125.09626	3.8
129.07019	3.5
131.08548	23.4
133.10127	39.0
135.08049	12.1
135.11700	12.2
137.09619	17.3
137.13310	2.3
139.07524	2.6
139.11063	2.4
143.08522	4.3
145.10132	17.8
147.11710	23.4
149.09607	13.5
149.13235	4.2
151.11147	7.0
155.08531	3.1
157.10135	7.4
159.11714	18.5
161.13235	9.3
163.11200	6.2
165.12801	5.2
169.10124	5.6
171.11720	4.6
173.13235	13.1
175.14792	3.3
177.12726	5.9
183.11662	6.0
185.13287	6.2
187.14809	3.2
191.14305	2.9
197.13171	2.4
199.14850	2.2
201.12715	3.1
207.13840	4.3
209.13594	2.1
219.02092	2.3
219.17430	14.5
229.19496	3.9
234.14847	5.9
235.16946	4.5
239.17947	7.6
247.20546	7.4
251.16455	3.5
257.19116	13.4
261.03128	13.3
263.20145	3.0
275.20047	100.0
276.20389	7.5
289.21661	16.0
290.22018	3.3
307.17300	8.0
307.22742	48.9
307.28244	42.3
308.15182	2.3
308.18530	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
55.05259	1.4
55.05515	17.7
57.03437	2.7
57.07072	2.1
59.04994	2.0
59.64385	1.0
67.05508	52.4
69.03434	6.7
69.07069	13.3
69.94558	3.3
70.06592	1.9
71.04994	16.6
79.05492	16.6
81.07058	48.4
83.04999	1.7
83.08630	10.9
85.06540	11.8
86.54417	1.0
91.05477	9.4
93.07054	17.8
95.04994	1.3
95.08612	47.2
97.06532	4.4
97.10188	5.5
98.22716	1.5
99.08132	2.1
101.05994	1.1
105.07033	4.9
107.08590	10.4
107.65643	1.1
108.08952	1.3
109.10162	31.0
109.10898	2.3
111.08089	29.9
111.11695	1.4
113.09676	1.5
115.45941	1.1
119.08564	5.1
121.10153	16.7
122.09730	1.7
123.11719	7.7
125.09655	2.7
130.06540	3.1
131.94424	1.1
132.04472	1.3
133.10146	8.6
135.11699	14.1
137.09634	1.0
138.13721	1.0
139.11194	2.7
145.02800	1.4
147.11717	3.3
149.13246	3.6
149.55841	1.0
150.09201	2.2
151.09995	1.5
151.11218	2.8
152.10715	1.9
153.12721	1.3
155.10643	1.5
157.07584	2.5
158.06006	2.9
161.13277	2.7
169.15906	0.9
170.11864	1.2
173.11749	5.0
175.08725	1.5
175.14830	1.8
187.13286	2.1
191.08145	2.0
206.15433	2.7
217.19534	3.7
234.14900	14.8
235.20537	13.9
250.14427	3.0
253.21616	26.1
254.21960	1.3
261.08881	1.6
271.22668	2.0
280.19177	1.8
307.12869	1.4
307.17447	4.6
307.20990	3.1
308.18561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
53.03954	1.2
55.01873	2.3
55.05515	6.6
57.07076	3.3
59.04999	1.3
65.03937	0.8
66.35397	0.7
67.05504	14.1
69.03420	3.4
69.07068	27.9
69.07448	1.3
70.06600	1.1
70.67278	0.8
71.04991	2.1
77.03918	1.1
79.05495	13.4
81.07057	100.0
82.07378	1.6
83.04964	1.3
83.08616	1.5
83.89182	0.7
85.06535	1.9
91.05485	9.4
93.07045	51.6
95.04974	5.2
95.08604	17.9
97.06533	9.9
97.10180	2.2
99.04458	1.3
99.08094	1.3
105.04534	1.2
105.07038	11.6
107.08596	44.3
108.08907	0.9
109.06525	12.0
109.10159	21.0
110.10477	0.8
111.08083	20.3
111.11709	8.4
119.08564	1.4
119.56056	0.6
121.10143	5.4
123.08042	1.2
123.11705	21.6
124.12033	0.8
125.09641	1.3
133.10129	30.0
134.10526	0.8
135.11710	2.1
137.13225	2.0
139.11189	15.6
145.10152	1.1
147.11757	0.7
149.13268	1.5
151.11183	78.6
152.11507	1.7
153.12708	1.6
161.13260	1.4
163.14815	1.8
165.12769	1.1
169.12238	4.4
177.16396	0.9
201.20355	1.0
207.17432	1.9
218.07423	0.9
234.14902	3.8
245.23012	2.1
289.22302	1.0
289.25110	4.1
307.06265	0.7
307.26364	40.0
308.18582	16.5
308.22223	0.8
308.26566	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	308.0912
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.78949	0.6
56.05029	1.9
56.74761	0.6
57.98805	0.7
58.99586	18.8
69.03423	4.1
70.06590	1.5
71.45900	0.6
72.59618	0.7
73.01128	0.8
76.02225	100.0
76.03980	3.4
80.05018	1.4
81.03438	0.7
83.06115	1.1
83.55949	0.7
84.04501	48.4
84.08134	3.0
85.02897	1.8
85.04835	0.8
86.03216	0.9
86.06027	0.9
86.99049	5.4
88.02231	1.8
91.61383	0.6
97.02883	1.2
99.04463	1.0
102.05558	1.4
109.02880	0.9
111.08084	14.0
114.03767	0.9
116.01674	22.1
122.09698	0.8
127.03914	2.5
128.04240	2.4
130.04994	13.9
141.04807	1.1
142.03218	11.1
144.01125	8.7
146.02673	0.9
162.02194	40.3
170.02609	3.5
179.04848	55.6
180.05080	0.8
187.05302	2.2
206.15408	2.2
215.04788	2.7
220.13191	1.1
227.04872	0.9
233.03581	1.3
233.05885	15.8
234.06152	0.8
234.14888	9.8
245.05956	3.7
250.66522	0.8
257.90323	0.7
258.74591	0.7
262.14273	1.2
264.67120	0.7
280.19040	1.5
290.08093	1.3
291.06403	2.6
295.18277	0.6
308.09167	10.4
308.14877	9.0
308.18472	55.0
309.18741	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	308.1493
Annotation	Convoline
Peak:m/z	Relative Intensity
55.01884	0.2
55.05532	0.3
56.96555	0.3
67.05504	0.8
68.05029	0.3
69.03445	1.8
70.06586	2.1
70.99086	0.4
72.08144	0.4
75.57120	0.2
76.02229	1.5
79.05484	0.6
81.07056	0.3
83.05002	0.3
84.04512	0.6
84.08144	19.3
85.08508	0.3
87.08467	0.3
94.06542	0.3
95.04987	0.7
95.08597	1.1
96.08113	0.4
103.95280	0.3
110.09702	0.4
111.04449	0.7
111.08083	7.8
111.28986	0.2
118.03455	0.3
119.01939	1.1
120.08092	1.5
122.09651	0.9
123.04448	0.8
123.08047	0.5
124.11184	0.3
134.09685	0.3
136.11180	0.6
137.02914	0.3
138.12791	0.7
148.11226	0.9
150.09177	0.4
151.07512	0.7
152.10767	0.3
162.02126	0.4
164.10594	0.3
166.12299	0.9
168.10159	0.3
170.08110	0.7
178.08650	0.3
179.04903	0.5
181.22926	0.3
182.11917	0.3
197.61444	0.3
206.15369	1.0
208.13350	0.5
210.11263	1.6
220.13315	10.3
221.13744	0.5
222.04514	0.3
232.13382	0.3
234.14909	5.9
236.16533	0.5
240.05418	0.3
248.07652	1.1
249.07880	0.5
262.14389	15.7
263.14685	0.7
266.08707	0.9
267.08908	0.4
280.15442	0.7
280.18967	0.7
290.17484	0.4
308.14880	100.0
308.18530	37.3
309.15216	5.1
309.18851	1.7
319.38754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1856
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
55.01870	0.4
67.05494	0.4
69.03429	5.4
69.94440	0.7
70.06602	1.4
71.04995	0.4
79.05480	0.4
80.04998	0.4
81.07037	0.4
94.06575	0.7
95.08592	0.5
96.08121	0.6
98.23395	0.4
105.07032	0.2
110.09680	0.4
111.08079	23.9
112.08416	0.8
120.08104	0.3
122.09671	0.9
125.05984	0.4
131.60933	0.3
139.07561	0.3
140.10751	0.6
145.54437	0.2
150.09145	1.0
168.10211	0.6
170.11765	0.4
180.13776	0.3
206.15416	3.4
208.13336	0.8
209.13815	0.2
210.14798	0.3
216.13986	0.3
234.14877	16.1
235.15176	1.3
250.14250	0.4
262.18082	0.5
280.19098	2.4
308.18542	100.0
309.15591	0.5
309.18912	6.2
318.36685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1856
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
55.01852	0.4
60.81554	0.3
64.27959	0.2
67.05495	0.4
68.07884	0.2
69.03427	7.8
69.82195	0.3
70.06590	1.8
70.21532	0.2
70.65541	0.3
71.04990	0.5
79.05489	0.4
79.88676	0.3
80.05009	0.7
81.07047	0.7
84.08109	0.3
93.07038	0.5
94.06570	0.5
95.08585	0.4
96.08108	0.7
108.08113	0.3
110.09658	0.7
111.08076	30.3
112.08395	1.0
122.09673	1.8
125.05972	0.5
131.16454	0.3
136.11194	0.3
139.07521	0.4
140.10706	0.8
150.09137	1.4
168.10220	0.9
170.11716	0.4
180.13808	0.8
182.11781	0.3
188.14290	0.4
206.15399	4.3
208.13271	1.2
216.13815	0.4
234.14870	19.4
235.15172	0.7
250.14450	0.4
262.18130	0.7
280.18991	2.5
283.87488	0.2
290.17407	0.3
308.18536	100.0
309.18884	5.8
309.22168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38424	0.3
55.01858	0.7
63.24212	0.3
64.62093	0.3
67.05500	0.3
69.03429	7.0
69.94348	0.8
70.06592	1.8
71.04984	0.6
80.05022	0.8
81.07056	0.7
93.07011	0.5
94.06546	0.6
95.08593	0.3
96.08124	0.4
98.23315	0.4
105.07014	0.5
108.08117	0.3
110.09666	0.6
111.08080	29.9
111.29662	0.3
112.08416	0.3
122.09672	1.0
125.05996	0.5
140.10701	0.9
150.09125	1.2
160.11176	0.4
168.10216	1.0
170.11739	0.5
180.13831	0.6
206.15390	4.1
207.15825	0.4
208.13354	1.2
216.13734	0.6
234.14883	17.4
235.15208	1.0
250.14346	0.3
262.17963	0.7
280.19028	3.0
290.17221	0.4
308.18549	100.0
309.18875	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	308.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94994	0.2
55.01878	0.3
58.63465	0.3
67.05485	0.4
69.03064	0.5
69.03429	6.6
70.06587	1.3
70.09853	0.6
71.04996	0.5
79.98328	0.3
80.05022	0.4
81.07066	0.7
91.05488	0.4
94.06577	0.7
95.40602	0.3
96.08096	0.5
105.06999	0.4
110.09697	0.5
111.08080	28.3
112.08418	0.4
119.08582	0.3
122.09666	1.2
128.26466	0.3
140.10693	0.6
150.09155	1.6
168.10229	1.0
170.11742	0.9
180.13904	0.7
192.10260	0.3
206.15390	3.6
208.13281	1.6
216.13947	0.4
234.14877	18.4
235.15211	1.2
238.14421	0.4
273.46933	0.3
280.19037	3.4
290.17484	0.3
308.18542	100.0
309.18927	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	308.1856
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
55.01861	0.7
55.05499	0.3
67.05498	0.5
69.03428	9.1
69.36855	1.1
70.06599	1.3
71.04984	0.6
79.05492	0.8
80.05029	0.3
81.07040	0.6
83.04980	0.4
84.04504	0.2
84.08115	0.4
91.05469	0.5
93.07044	0.8
94.06564	0.6
95.04959	0.4
95.08601	0.8
96.04464	0.6
96.08124	0.9
97.06556	0.3
98.06071	1.3
105.07041	0.7
107.08566	0.3
109.06514	0.4
110.09671	0.7
111.08078	25.0
112.08384	0.6
119.08557	0.5
121.10210	0.3
122.09656	1.3
125.06009	0.2
125.09654	1.5
131.08508	0.3
133.10135	0.3
134.09641	0.5
139.07524	0.3
140.10693	0.5
143.00473	0.2
146.05978	0.4
149.09616	1.2
150.09128	1.6
152.10722	1.1
164.10843	0.3
168.10173	0.7
170.11772	0.6
180.13818	0.4
184.09634	0.3
189.12744	0.5
190.12271	0.4
192.13826	1.0
206.15405	4.4
208.13339	1.4
216.13858	0.4
222.11201	0.7
222.14822	0.3
234.14876	18.5
235.15282	1.2
246.23566	0.3
250.14474	0.4
262.17996	0.6
264.19473	0.4
280.19131	2.4
290.17612	0.7
308.18539	100.0
309.18814	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	308.2223
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.01862	0.4
55.05507	0.6
57.07064	0.6
65.03928	0.3
66.40640	0.3
67.05501	0.7
69.03428	2.6
69.07056	1.4
70.06592	0.7
71.04989	0.7
71.08632	0.9
79.05492	1.5
81.07052	2.4
85.10196	0.3
91.05499	0.8
93.07039	0.9
94.04205	2.0
95.04955	0.7
95.08604	1.5
99.08085	1.0
105.07043	0.5
107.04943	0.7
107.08627	0.8
109.06509	1.1
109.10155	0.8
109.59360	0.4
110.09685	0.4
111.08083	12.5
119.08636	0.4
122.03655	6.6
122.09666	0.9
137.05980	100.0
137.13240	0.4
138.06320	2.5
143.08595	0.3
150.09102	0.6
165.12743	0.5
172.17020	1.0
179.14377	0.3
184.16975	2.0
185.08122	0.4
206.15413	1.4
206.19539	0.4
234.14896	7.8
251.29828	0.3
262.03378	0.7
280.19125	1.1
290.17572	0.4
291.23230	3.3
308.18582	42.6
308.26297	1.7
309.19046	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	309.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
55.87320	0.6
57.03444	5.2
57.07077	24.6
67.05504	6.4
69.03416	1.7
69.07066	2.8
69.96848	1.8
71.08632	35.3
79.05486	1.3
81.07057	18.8
85.10185	18.4
91.05531	0.8
93.07018	1.0
95.08609	22.6
98.98469	53.8
110.70109	0.6
111.08107	3.9
112.08429	2.7
122.07071	0.9
123.08060	0.7
132.95915	0.6
133.10165	0.6
137.13261	3.9
142.58830	0.6
155.01042	100.0
155.14305	30.2
156.01372	0.8
156.14656	0.8
170.06389	0.8
207.15749	0.7
234.14848	1.0
235.15193	4.1
258.68414	0.7
263.02811	1.0
273.18536	0.8
281.19455	0.7
291.19595	1.0
309.15063	1.3
309.18875	25.4
310.19763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44765	1.0
53.03939	3.2
55.01878	15.1
55.05251	1.9
55.05512	23.6
57.03430	3.7
57.07080	3.0
59.05000	1.8
67.05508	58.9
67.61563	1.1
68.05804	1.2
69.03429	5.1
69.07072	21.4
69.28960	6.0
71.04996	9.8
77.03935	1.5
79.05496	35.1
81.03429	3.3
81.07060	71.5
82.07397	1.8
83.01340	1.8
83.04980	14.2
83.08627	8.9
85.02888	1.7
85.06547	8.0
91.05483	45.1
93.06448	1.8
93.07047	36.0
95.04966	10.0
95.08607	24.8
97.06524	7.7
97.10166	3.2
99.04458	4.4
99.08112	2.6
105.04523	2.0
105.07036	51.1
107.04950	6.6
107.08592	48.9
109.06532	10.5
109.10162	83.9
110.10496	3.0
111.04420	2.6
111.08089	9.2
112.08435	2.0
113.05999	4.8
115.07578	1.3
117.07067	5.8
119.08573	14.6
121.06520	7.1
121.10146	10.0
123.04448	2.3
123.08066	4.5
123.11713	11.9
125.05967	1.8
125.09635	3.6
127.07554	3.9
128.06128	1.4
129.07007	3.7
131.08582	10.8
133.06503	4.2
133.10133	100.0
134.10461	3.0
135.08040	6.3
135.11726	6.6
137.05930	1.3
137.09631	2.8
139.07545	4.6
143.08536	6.1
145.09026	1.5
145.10112	9.3
147.08044	6.7
147.11690	4.6
149.09602	7.2
151.11185	66.0
152.11562	1.3
155.08488	1.4
157.10098	4.4
159.11688	3.8
161.09601	8.9
161.13280	3.3
163.11189	4.1
165.09143	2.0
165.12766	1.8
167.10747	1.3
169.10074	2.2
169.12254	21.8
171.11696	4.7
175.11206	4.4
177.09129	2.9
177.12856	1.1
179.10681	3.4
185.09758	1.4
185.13245	1.9
189.12770	2.1
197.11726	1.2
203.14389	1.5
205.12311	1.4
207.13861	1.9
209.11673	1.5
215.12788	7.3
217.12111	1.1
217.19496	1.4
223.13257	1.6
227.18039	2.7
235.15219	3.0
245.19044	10.9
255.17477	4.3
263.20004	12.2
273.18524	30.1
274.18826	1.4
291.19553	49.8
292.19897	1.6
309.18829	8.3
309.20581	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	3.5
55.01875	7.2
55.05511	28.4
59.05001	5.4
65.03942	3.1
67.05510	40.2
69.03428	4.3
69.07087	13.9
69.66286	7.2
70.04091	18.2
70.06602	3.8
71.04986	3.3
79.05495	45.6
81.03434	3.8
81.07059	29.4
83.04982	7.0
83.08629	14.7
91.05482	28.9
93.07046	24.1
95.04967	10.3
95.08608	42.6
97.10173	14.3
97.63068	2.3
98.98485	3.3
99.08057	2.7
105.03392	2.5
105.04505	3.3
105.07044	13.8
107.04960	100.0
107.05682	5.7
107.08601	26.2
108.05302	3.1
109.06504	3.2
109.10158	28.8
111.08078	16.8
112.08408	7.7
117.07024	10.4
117.66911	2.3
119.08580	22.9
121.06539	3.3
121.10143	10.7
123.08058	6.1
125.09652	11.0
129.07007	3.6
131.08609	6.9
133.06487	2.6
133.10120	6.0
135.08064	51.3
137.09647	10.6
139.11142	2.9
141.09068	5.8
143.08597	4.1
145.10136	7.2
147.08037	10.6
147.11720	3.7
149.09671	3.4
149.92859	2.1
155.10640	4.3
157.10158	2.8
159.10184	17.5
159.11612	5.7
163.11099	2.7
165.09096	17.4
167.10600	2.6
173.11739	24.2
175.11247	4.0
189.11317	4.8
189.12816	2.6
193.12183	6.0
195.68825	2.2
234.14854	2.6
235.15227	10.4
263.02963	4.7
263.20087	7.6
273.18542	22.5
285.31400	2.5
291.19574	45.6
292.20010	2.5
309.15399	3.0
309.18738	74.7
310.19434	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01874	4.3
55.05508	8.2
56.35102	1.3
57.03152	1.7
57.03434	33.6
67.05502	29.6
69.03423	2.0
69.07062	5.2
69.26127	8.2
71.04989	4.4
77.03930	1.5
79.05484	14.7
81.07057	16.5
83.04977	2.7
83.08624	1.8
84.74429	1.3
85.06540	32.8
85.62206	1.2
91.05479	12.1
93.07039	15.2
95.04964	41.8
95.08597	10.6
97.06541	2.7
100.09864	1.2
105.07028	13.9
105.16084	1.4
107.04964	4.4
107.08611	10.3
109.06516	41.2
109.10143	2.2
110.09725	1.5
111.08076	5.2
112.08402	4.4
113.06005	100.0
114.06357	2.1
117.07008	5.4
119.08588	8.3
121.06503	2.9
121.10135	5.5
123.08083	4.0
125.09687	1.6
128.06203	1.5
129.07011	3.0
131.08551	9.3
133.06470	1.9
133.10106	7.7
135.08046	31.4
135.11699	3.7
143.08601	3.8
145.10126	6.3
147.08049	3.8
147.11697	2.3
149.09633	3.5
151.11176	3.3
157.10156	4.7
159.11685	3.1
161.09612	5.4
163.11244	2.3
165.09122	1.5
171.11726	1.7
175.11142	1.9
177.12791	1.8
185.13275	2.5
189.12708	2.0
195.13716	1.8
199.14816	3.0
201.39276	1.3
207.13805	1.7
217.15865	11.6
226.47115	1.3
227.17889	2.1
235.15099	3.0
245.19014	2.2
255.17458	1.7
263.19992	5.7
273.18524	15.5
274.18506	1.3
282.15115	1.7
291.19543	43.2
292.19980	2.3
306.78864	1.5
309.18454	24.1
310.14359	23.6
310.17798	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2064
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03937	7.8
55.01876	23.0
55.05506	27.7
57.03440	22.8
65.03917	7.3
67.05508	88.8
69.03429	8.2
69.07069	23.0
71.04982	11.5
71.76080	6.4
73.18044	7.0
75.41011	6.1
79.05497	58.1
81.03418	24.9
81.07059	71.8
83.04991	16.4
83.08625	13.5
85.06543	23.9
91.05482	36.4
93.07064	66.5
95.04969	95.8
95.08616	45.7
97.06548	12.7
97.10205	7.3
99.08146	7.6
105.07008	35.8
107.04948	24.4
107.08589	30.0
109.06521	83.5
109.10172	14.4
111.04453	8.3
111.08096	22.7
112.08441	7.4
113.06001	28.6
115.14907	6.5
117.07036	25.2
119.08578	28.7
121.06477	9.7
121.10159	12.1
123.08088	16.0
129.07036	11.8
131.08578	26.6
133.06459	10.0
133.10138	12.6
135.08046	55.3
135.11719	16.3
143.08592	14.9
145.10127	26.1
147.08075	7.6
149.09668	10.0
157.10159	23.5
159.11725	17.8
161.09601	12.0
161.13219	8.2
163.11201	14.8
173.13249	7.7
212.93448	7.7
217.15872	23.2
233.15344	7.2
235.15157	14.8
244.22859	7.0
245.19049	11.7
255.17462	9.0
263.02896	17.2
273.18564	41.2
291.19580	89.8
291.22763	12.4
292.19888	10.6
309.18823	100.0
309.24097	16.5
310.19791	9.4
310.25278	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03952	14.8
55.01875	12.7
55.05518	19.2
57.03185	2.2
57.03443	33.2
65.03944	2.8
67.05506	64.8
69.03425	7.3
69.07066	20.2
70.70001	4.4
71.04993	16.1
79.05498	52.9
81.03428	43.5
81.07060	74.1
83.04987	12.5
83.08619	10.9
85.06551	8.1
91.05483	37.8
93.07049	49.5
93.07605	3.5
94.07361	1.9
95.04970	20.6
95.08606	52.8
96.08968	2.7
97.06538	46.8
97.10203	5.7
99.08105	13.0
105.04537	3.7
105.07027	34.6
107.04961	19.9
107.08595	32.5
109.06525	32.6
109.10162	13.1
111.04414	2.1
111.08096	9.7
113.06011	4.8
115.05492	2.9
115.07575	7.0
117.07028	20.4
119.04958	3.4
119.08598	21.3
121.06500	12.7
121.10139	16.6
123.04436	2.3
123.08084	18.2
123.11662	2.5
125.09644	4.6
127.07597	4.3
129.07027	8.9
131.08574	24.0
133.06493	3.9
133.10136	25.5
135.08046	22.0
135.11690	14.3
137.09637	2.8
141.07045	4.5
143.08524	9.1
145.06552	7.1
145.10143	17.7
147.08070	6.4
147.11702	6.0
149.09651	8.7
149.13258	5.4
151.11195	7.9
155.08591	3.8
157.10144	11.2
159.08057	3.9
159.11664	13.4
161.09599	9.2
161.13228	3.2
163.11172	5.0
169.10121	6.6
171.11765	7.1
173.13278	7.9
175.11276	4.2
177.12799	6.8
183.11678	2.8
185.13271	3.7
187.11197	8.3
189.11249	3.2
191.14314	4.0
195.13876	6.1
199.14839	5.8
201.12755	5.6
205.12277	4.7
207.13864	3.0
217.15924	15.5
219.13844	10.0
221.15428	6.9
223.13251	3.2
227.17941	3.0
233.15356	4.9
235.17149	2.8
237.16556	2.5
241.14426	4.3
245.18939	3.8
255.17390	4.5
263.20065	5.3
273.18561	29.8
291.19565	100.0
292.19910	5.8
309.15771	3.4
309.20517	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.44765	1.0
53.03939	3.2
55.01878	15.1
55.05251	1.9
55.05512	23.6
57.03430	3.7
57.07080	3.0
59.05000	1.8
67.05508	58.9
67.61563	1.1
68.05804	1.2
69.03429	5.1
69.07072	21.4
69.28960	6.0
71.04996	9.8
77.03935	1.5
79.05496	35.1
81.03429	3.3
81.07060	71.5
82.07397	1.8
83.01340	1.8
83.04980	14.2
83.08627	8.9
85.02888	1.7
85.06547	8.0
91.05483	45.1
93.06448	1.8
93.07047	36.0
95.04966	10.0
95.08607	24.8
97.06524	7.7
97.10166	3.2
99.04458	4.4
99.08112	2.6
105.04523	2.0
105.07036	51.1
107.04950	6.6
107.08592	48.9
109.06532	10.5
109.10162	83.9
110.10496	3.0
111.04420	2.6
111.08089	9.2
112.08435	2.0
113.05999	4.8
115.07578	1.3
117.07067	5.8
119.08573	14.6
121.06520	7.1
121.10146	10.0
123.04448	2.3
123.08066	4.5
123.11713	11.9
125.05967	1.8
125.09635	3.6
127.07554	3.9
128.06128	1.4
129.07007	3.7
131.08582	10.8
133.06503	4.2
133.10133	100.0
134.10461	3.0
135.08040	6.3
135.11726	6.6
137.05930	1.3
137.09631	2.8
139.07545	4.6
143.08536	6.1
145.09026	1.5
145.10112	9.3
147.08044	6.7
147.11690	4.6
149.09602	7.2
151.11185	66.0
152.11562	1.3
155.08488	1.4
157.10098	4.4
159.11688	3.8
161.09601	8.9
161.13280	3.3
163.11189	4.1
165.09143	2.0
165.12766	1.8
167.10747	1.3
169.10074	2.2
169.12254	21.8
171.11696	4.7
175.11206	4.4
177.09129	2.9
177.12856	1.1
179.10681	3.4
185.09758	1.4
185.13245	1.9
189.12770	2.1
197.11726	1.2
203.14389	1.5
205.12311	1.4
207.13861	1.9
209.11673	1.5
215.12788	7.3
217.12111	1.1
217.19496	1.4
223.13257	1.6
227.18039	2.7
235.15219	3.0
245.19044	10.9
255.17477	4.3
263.20004	12.2
273.18524	30.1
274.18826	1.4
291.19553	49.8
292.19897	1.6
309.18829	8.3
309.20581	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	2.5
55.01875	22.6
55.05513	30.8
57.03442	6.4
57.07074	3.5
59.54819	1.0
61.23696	1.1
65.03934	2.8
67.05506	82.7
68.05848	1.4
69.03435	5.0
69.07072	29.2
69.94217	2.1
71.04998	9.7
73.06573	1.3
75.73958	1.0
77.03950	1.1
79.05493	48.1
80.05829	1.2
81.03442	5.2
81.07059	90.1
82.07420	1.1
83.01360	2.6
83.04990	15.6
83.08620	14.1
84.16740	1.1
85.02907	3.1
85.06539	7.6
91.05485	54.0
93.07048	57.0
95.04968	16.3
95.08609	41.5
97.02922	2.2
97.06516	9.6
97.10182	4.4
98.22701	1.1
99.04464	5.1
99.08099	2.4
103.05473	1.6
105.04546	2.3
105.07033	54.4
106.07350	2.1
107.04966	12.2
107.08596	53.2
109.06519	14.0
109.10162	78.3
111.04453	4.9
111.08092	13.8
112.08422	1.6
113.06001	4.5
115.05436	1.4
117.07020	9.3
119.04945	1.8
119.08582	18.5
121.06504	14.7
121.10145	17.7
123.04492	2.3
123.08099	7.1
123.11709	11.3
125.06009	2.6
125.09628	3.5
127.07574	4.5
128.06212	1.9
129.07010	6.1
131.08568	16.6
133.06516	11.3
133.10130	100.0
134.10446	2.2
135.08038	7.7
135.11676	10.7
135.12509	1.1
137.05972	3.5
137.09642	4.8
139.07542	8.5
141.06984	2.2
142.07753	1.1
143.08562	7.7
144.09229	1.1
145.06496	1.4
145.10139	15.1
147.08055	9.8
147.11688	8.0
149.09642	11.1
149.13258	2.9
151.11182	55.0
153.09143	2.0
155.08525	2.0
157.10130	6.0
159.08044	2.9
159.11664	7.2
161.09618	17.5
161.13277	3.1
163.11189	7.3
165.09174	2.7
165.12782	2.5
167.10699	3.1
169.10187	1.3
169.12250	14.4
171.08139	1.8
171.11723	6.9
173.09564	1.7
173.13278	2.5
175.11200	8.4
177.09097	2.1
177.12810	2.6
179.10699	4.4
181.08629	2.3
181.10088	1.3
181.12251	3.3
185.09647	1.9
185.13286	3.5
187.11160	2.1
189.12755	5.1
191.10684	1.4
195.10181	1.2
197.11838	1.4
199.11327	2.1
199.14946	1.4
201.16429	1.2
203.14404	3.7
207.13765	2.2
209.11691	2.1
213.16254	1.4
215.12793	5.9
217.12297	2.4
217.19576	1.2
223.13309	2.1
227.17957	2.7
231.13947	1.4
235.13231	1.5
237.16447	1.7
245.19046	16.4
249.14870	1.6
251.62601	1.2
255.17389	6.4
263.20050	19.3
264.20392	1.5
273.18500	40.6
274.18997	2.1
291.19547	64.6
292.19910	5.5
309.21109	14.9
309.28644	1.4
310.20071	1.8
310.31113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03949	3.5
55.01876	8.4
55.05515	35.5
57.03442	26.2
57.07083	3.1
65.03927	4.2
67.05508	35.7
69.03445	5.8
69.07070	14.7
70.06595	4.0
70.39877	4.6
71.05006	6.0
79.05492	45.7
81.07059	68.8
82.06619	3.4
83.05000	5.8
83.08618	22.2
85.06554	7.6
91.05475	33.8
92.05840	3.5
93.06504	5.3
93.07043	36.7
95.04968	15.6
95.08602	23.2
97.06534	6.4
97.10168	25.4
98.98469	2.8
99.08092	6.9
105.07049	26.0
107.04967	23.8
107.08591	27.0
109.06514	24.1
109.10172	12.7
111.08080	16.1
112.08429	12.0
117.07030	25.6
118.07394	3.3
119.08588	45.8
121.06522	11.2
121.10154	10.6
123.08089	12.5
125.09644	18.1
129.07016	9.1
131.08556	26.9
133.06577	4.0
133.10120	11.9
135.08134	13.5
135.11678	6.4
141.07040	4.1
143.08556	14.5
143.98045	2.7
145.10124	34.5
147.08090	22.9
147.11748	6.6
157.10106	13.6
159.08092	5.8
159.11685	10.2
161.09630	8.7
161.13258	3.4
163.11244	4.5
164.70747	3.5
171.10194	3.5
171.11780	5.7
173.13239	4.9
181.10115	2.8
182.15382	8.3
185.13246	3.9
189.11240	15.4
199.11179	2.9
201.12750	3.6
210.14923	6.8
217.15927	5.9
219.13832	12.4
223.13376	4.4
227.18024	2.9
234.14894	3.2
235.15201	11.7
237.16559	3.7
245.19102	4.7
249.14839	8.3
255.17561	9.5
263.02893	3.1
273.18512	48.4
274.18945	4.4
291.19568	100.0
292.19693	5.4
309.18967	85.6
310.19986	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	309.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
54.94506	0.5
55.01882	3.2
55.05515	34.1
56.05847	0.6
57.03436	1.9
57.07075	2.4
57.19586	0.5
67.05507	12.9
69.03420	1.9
69.07068	6.8
70.03779	0.5
71.04987	1.7
71.08627	1.5
73.02908	0.6
79.05045	0.8
79.05497	13.7
81.03410	1.7
81.07060	17.3
82.07434	0.5
83.04977	2.8
83.08622	23.2
84.08959	0.6
85.06533	1.2
85.10191	0.7
89.06028	1.6
91.05479	5.8
93.06454	1.2
93.07044	20.8
93.47495	0.5
94.07396	0.8
95.04975	6.3
95.08610	24.0
97.02870	1.8
97.06533	3.1
97.10168	1.9
98.98473	0.6
99.04445	1.7
99.08105	1.2
105.04520	0.9
105.07025	6.4
107.04933	4.5
107.08596	16.2
109.06510	1.3
109.10168	4.2
111.04477	0.7
111.08094	2.5
112.08440	0.7
117.07021	4.8
119.08589	6.5
121.06499	2.6
121.10151	7.4
121.38616	0.5
123.08090	0.9
123.11709	1.1
125.05985	1.6
125.09602	0.6
129.07019	0.8
130.07780	0.7
131.08554	1.2
133.10127	3.5
135.08041	0.7
135.11693	24.4
136.12001	0.6
137.09604	0.7
139.07527	0.8
139.11171	1.6
143.08582	1.0
145.10132	14.0
147.11655	2.5
149.13260	1.6
151.09598	1.1
151.11192	1.0
152.10016	0.8
153.12727	0.7
155.00993	0.7
157.10176	0.9
159.11723	1.0
161.13232	0.9
163.11186	30.9
164.11549	0.8
165.12726	0.8
173.09627	0.7
175.11159	0.6
175.14803	0.9
177.74420	0.5
181.12224	7.3
193.12271	0.9
209.11583	1.2
216.54756	0.5
227.12779	100.0
228.13136	3.6
235.15182	1.9
241.19482	0.7
259.20538	0.6
263.03003	0.7
277.18927	0.8
277.21692	7.4
291.23071	1.1
309.15524	0.8
309.18896	8.4
309.24313	1.6
310.16357	0.6
310.19733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	5.9
55.01872	12.8
55.05511	31.6
57.03426	5.1
59.04996	3.6
67.05156	2.8
67.05502	37.9
69.03435	9.8
69.07069	15.8
69.78940	3.1
70.03767	2.6
70.06599	2.6
70.08366	1.5
71.04982	7.3
79.05491	39.9
81.03418	18.3
81.07056	100.0
82.07395	2.8
83.04979	12.9
83.08616	19.8
85.02913	4.6
85.06554	4.3
89.61239	1.2
91.05473	18.9
93.07042	29.6
95.04958	17.9
95.08602	27.1
97.06518	12.3
97.10161	24.9
98.98495	1.7
99.08067	3.8
105.07026	17.6
107.04947	10.2
107.08604	20.5
109.06516	39.6
109.10163	10.3
111.04458	10.0
111.08082	22.7
112.08397	8.6
113.05981	2.5
116.98612	1.9
117.07021	8.8
117.95430	1.3
119.08582	18.2
121.06519	5.4
121.10142	12.6
123.08060	27.8
123.11665	2.0
125.09618	20.6
129.07001	5.1
130.07724	1.5
131.08575	10.6
132.09024	1.5
133.10127	7.4
135.08057	13.2
135.11702	9.3
137.09618	6.9
139.11203	1.5
143.08548	4.4
145.06471	2.6
145.10101	9.5
147.08055	5.8
147.11679	7.3
149.09618	5.9
149.13254	2.6
153.09117	2.8
153.12735	3.0
157.10091	4.0
159.11670	4.8
161.09641	4.5
163.11179	19.0
165.09142	6.6
167.10622	2.1
171.10121	1.3
171.11705	1.4
173.09668	2.0
173.98303	1.3
174.38797	1.5
175.11223	4.7
177.12766	3.2
179.10619	1.9
181.12219	4.6
187.11180	1.6
189.11195	15.3
191.10681	4.8
193.12276	8.6
193.13753	1.4
199.14786	3.1
211.13223	3.8
217.15912	5.5
222.42484	1.6
223.13306	3.0
227.12761	3.6
227.17827	1.8
234.14969	4.0
235.15221	13.5
245.18958	3.1
255.17386	3.3
263.02887	2.4
263.20102	3.9
269.75833	1.4
273.18497	20.8
281.19250	1.5
291.19531	82.2
292.19879	5.4
309.11340	3.6
309.18637	80.5
310.19547	1.8
333.72986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2215
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03933	6.1
55.01879	4.6
55.05522	18.6
57.03431	6.1
57.07072	5.8
59.04990	5.2
60.59605	3.6
65.03945	4.9
67.05508	53.4
69.03433	3.5
69.07079	23.9
69.46422	17.1
71.04978	5.4
74.25323	3.1
79.05505	33.9
81.03416	3.3
81.07060	53.9
83.04980	5.1
83.08619	10.8
85.06546	4.0
91.05482	47.0
93.07050	80.7
95.04417	5.7
95.04977	83.8
95.08615	60.0
97.06551	26.7
98.23471	6.2
103.05484	4.5
105.04546	5.6
105.07033	100.0
107.08598	39.5
109.06511	12.7
109.10139	26.3
111.08070	8.8
112.08460	5.1
115.05442	6.8
117.07036	20.4
119.08585	73.6
121.06508	10.6
121.09280	3.8
121.10151	69.7
123.08067	13.1
123.11698	12.1
128.06197	8.7
128.30545	3.3
129.07002	22.5
130.07803	11.2
131.08577	38.7
133.10130	47.0
135.08058	5.0
135.11685	15.4
137.09563	4.4
138.10075	3.5
141.06970	4.6
142.07782	14.6
143.08551	27.3
144.09332	7.9
145.10126	54.9
147.11699	9.8
149.09576	4.7
155.08592	10.5
156.09305	6.1
157.10139	40.1
158.10954	5.1
159.11685	50.7
161.09602	12.5
161.13251	7.5
165.12798	4.0
167.08562	3.9
168.09348	4.5
169.10149	12.7
170.10950	5.6
171.11714	16.4
172.12512	3.5
173.13287	20.7
175.14827	11.7
178.45927	2.9
179.08537	4.1
180.09300	4.6
181.10129	7.5
182.11018	4.4
183.11703	8.9
185.13264	12.3
187.11212	11.2
187.14833	30.5
195.11662	7.8
197.13283	6.8
199.14799	11.8
206.10902	4.0
207.11618	6.3
209.13345	7.0
211.14708	6.4
213.16405	5.2
220.12425	3.1
221.13336	3.8
223.14732	3.7
225.16431	3.8
235.15036	11.8
239.17998	4.1
249.16412	4.6
253.15721	4.6
263.02972	3.6
266.11768	6.5
309.18835	31.8
309.22174	37.9
310.16425	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.04317	0.8
53.03947	2.6
55.01867	3.4
55.05512	18.1
55.99838	0.8
57.03436	2.9
57.07067	3.1
59.05016	1.3
67.05503	40.9
69.03452	1.0
69.07066	15.8
69.82352	2.0
71.04991	3.7
71.08630	48.5
77.03921	1.4
79.05490	42.9
80.05813	0.9
81.03413	7.4
81.07057	43.1
82.07381	1.5
83.04983	12.6
83.08631	6.1
85.06532	2.4
88.48086	0.9
91.05485	23.7
91.06055	1.2
93.07044	56.7
94.07371	1.6
95.04970	8.7
95.08602	32.2
97.06540	10.9
97.10162	3.2
98.22771	1.1
99.08096	40.6
105.04508	2.0
105.07034	16.5
107.04948	4.9
107.08601	25.5
107.09338	1.2
109.06515	3.0
109.10167	10.9
111.08061	2.1
113.09640	1.6
117.07000	3.3
119.08580	13.1
121.06583	1.0
121.10148	25.4
123.08080	2.0
123.11722	1.3
127.11181	2.5
129.07004	1.9
131.08578	4.6
133.10150	9.5
135.11684	33.6
135.22897	0.9
137.09604	4.0
139.11201	1.4
141.09073	4.7
143.08580	2.6
145.10129	3.8
147.11656	3.5
149.09650	1.0
149.13263	8.7
151.11179	18.0
153.12762	2.6
157.10172	1.2
159.11707	3.1
161.13258	10.8
163.11206	6.8
163.14835	1.8
165.12732	1.6
167.10689	1.8
171.11722	1.9
175.11159	1.2
175.14890	1.3
177.12724	4.1
179.14307	100.0
180.14667	4.1
181.12282	1.2
185.13313	2.1
189.12727	1.8
195.13913	1.8
199.14891	2.0
220.68004	0.9
221.15346	2.6
231.17363	1.2
235.16951	3.8
241.19504	2.6
259.20529	4.3
277.21619	56.4
278.21912	4.4
284.25720	0.8
309.18878	1.2
309.24167	5.0
320.01028	1.0
328.75696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
55.05511	14.8
57.07085	29.6
67.05507	24.9
69.03414	4.2
69.07072	18.3
70.85521	8.5
71.03259	3.1
71.05002	4.2
71.08646	4.7
79.05494	24.5
79.52634	3.5
81.03428	11.5
81.07055	30.5
83.04983	9.4
83.08619	7.4
85.10186	74.8
91.05470	19.9
93.07056	20.2
95.04984	10.4
95.08598	29.5
97.06528	4.4
97.10177	7.2
105.07046	19.3
107.04957	18.9
107.08611	10.8
109.06496	3.9
111.08102	10.6
112.08414	5.5
113.09646	100.0
114.09953	3.4
119.08594	5.1
121.10152	9.1
123.08091	8.0
131.08566	8.1
133.10141	8.5
135.11717	7.2
145.10135	5.3
147.11700	13.6
149.09601	20.4
151.11288	5.0
161.13313	4.8
163.11172	9.6
165.12755	73.6
171.11708	5.3
175.11198	6.2
175.14830	3.6
185.84897	3.7
235.15247	10.2
241.19467	5.0
259.20618	8.4
277.21628	41.9
299.21185	3.7
309.18878	54.7
309.24155	7.3
310.16272	4.3
310.19714	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	309.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
54.15706	1.4
55.01873	10.2
55.05514	52.1
57.03435	10.3
57.07084	13.2
59.04996	2.7
64.24734	1.3
65.03951	2.8
67.05507	75.7
69.03443	9.4
69.07074	45.7
70.06621	1.5
71.04988	6.1
71.08641	17.6
73.06546	2.9
77.03922	2.8
79.05499	49.8
80.05834	1.6
81.03413	8.2
81.07061	90.7
82.07391	1.8
83.04988	25.4
83.08625	18.2
84.08911	1.4
85.06534	9.7
85.10191	3.2
91.05488	44.7
91.17551	1.3
93.07050	84.3
94.07370	2.1
95.04977	32.6
95.08612	65.1
97.06535	22.7
97.10178	14.1
99.08106	16.2
105.04517	4.0
105.07029	36.1
107.04964	4.8
107.08603	36.4
108.08988	1.7
109.06497	9.3
109.10162	22.3
111.08095	12.9
111.11724	1.6
112.08436	3.4
113.09675	2.2
117.07028	9.8
119.08594	26.5
121.06523	4.9
121.10158	25.6
123.08052	8.9
123.11735	9.7
125.09648	12.5
127.07615	1.6
129.06999	6.4
131.08578	16.2
133.10135	27.3
135.08086	3.9
135.11705	21.9
137.09642	5.9
137.13284	2.5
139.11205	23.1
142.07750	1.5
143.08575	6.1
145.10114	8.1
147.07985	1.9
147.11705	21.5
149.09601	3.9
149.13274	14.7
151.10110	2.0
151.11143	10.0
151.14841	1.9
153.12764	5.6
157.10100	9.1
159.11678	9.0
161.09636	2.3
161.13300	13.1
163.11226	3.8
163.14832	5.9
165.12785	10.3
167.14290	1.6
171.11702	7.2
173.13277	5.3
175.11195	7.4
175.14827	7.7
176.70877	1.4
177.12737	4.9
177.16566	2.0
179.14285	6.7
181.12238	1.4
185.13252	6.7
189.12755	3.2
193.12248	6.4
193.15825	2.6
199.14868	2.3
203.12749	2.4
207.13824	4.2
211.13245	1.7
215.17874	1.8
217.06509	1.3
217.19661	3.1
221.15359	8.5
231.21086	4.8
235.15187	4.5
241.19597	6.8
249.22168	7.2
259.20590	9.5
277.21646	100.0
278.21844	7.5
291.23087	10.2
295.22693	3.9
309.18884	32.8
309.24240	35.5
309.29712	20.6
310.19296	1.8
310.24619	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	2.9
55.01660	0.9
55.01876	10.0
55.05512	38.9
57.03444	7.0
57.07079	10.8
57.13104	0.9
59.05003	2.4
60.48385	0.9
65.03925	1.3
66.50189	0.9
67.05505	61.5
68.05843	1.9
69.03426	6.2
69.07068	37.5
69.98774	3.1
71.04989	3.8
71.08631	32.3
73.06564	2.1
77.03937	1.3
79.05494	49.9
81.03437	5.6
81.07056	75.5
82.07382	1.6
83.04980	14.9
83.08620	20.2
85.06538	7.9
85.10167	2.7
85.76189	1.1
91.05482	34.5
92.05788	1.2
93.07045	71.0
94.07398	1.7
95.04968	27.5
95.08604	45.7
96.08945	1.8
97.06535	19.1
97.10175	9.4
99.08096	27.1
103.94215	1.1
105.04534	1.6
105.07038	27.0
107.04948	2.6
107.08589	27.9
107.35912	1.0
109.06539	7.0
109.10165	17.8
110.58379	1.1
111.08060	11.1
111.11739	1.0
113.09618	1.7
117.07030	6.5
119.08581	21.3
121.06502	3.2
121.10147	25.5
123.08055	6.4
123.11715	6.4
125.09660	6.2
127.07554	1.8
128.06256	1.2
128.20889	1.2
129.07010	6.8
131.08566	9.6
133.10129	26.4
135.08029	3.1
135.11700	20.7
137.09573	5.8
137.13226	2.3
139.07541	3.6
139.10167	1.5
139.11185	19.2
143.08560	4.3
145.10088	9.9
147.08018	2.9
147.11679	19.7
149.09610	2.6
149.13263	10.9
151.11174	15.2
151.14799	1.6
153.12729	4.2
157.08923	1.7
157.10136	8.7
159.11707	8.2
161.09618	2.4
161.13264	14.3
163.11157	7.0
163.14795	4.4
165.09088	1.2
165.12758	9.0
167.10760	1.4
167.14336	2.7
171.11668	6.1
173.13266	4.2
175.11208	7.9
175.14793	9.2
177.12761	4.1
177.16402	2.3
179.14323	7.5
185.13283	4.0
189.12724	1.7
191.14297	1.1
191.17952	1.6
193.12155	6.2
193.15892	1.9
199.14784	2.1
203.12726	1.6
203.14452	1.2
207.13792	2.3
217.19510	3.9
221.15327	5.1
231.21129	5.4
235.16974	2.4
241.19493	9.6
249.22131	5.1
259.20605	10.9
260.21014	1.6
265.21835	1.3
277.21631	100.0
278.21954	5.8
291.23151	10.4
295.22583	2.3
305.54788	1.0
309.18765	3.8
309.24213	38.7
309.29486	6.9
310.24603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.165
Annotation	Fulvine
Peak:m/z	Relative Intensity
53.03934	0.4
53.61657	0.3
55.01873	1.6
55.05515	0.9
56.96569	0.3
57.03443	0.3
57.07075	0.5
60.04520	0.7
67.05511	2.6
69.03439	1.7
69.07069	1.0
70.06583	1.4
70.34659	0.5
70.34989	0.4
71.04998	7.3
79.05494	2.3
80.05032	0.5
81.03413	0.3
81.07063	1.5
82.06615	0.3
83.04972	1.1
84.04483	0.5
84.08134	0.3
85.02920	1.6
85.06544	2.2
86.06078	0.4
87.04475	0.4
91.05495	1.3
93.07044	2.0
94.06590	0.4
95.04958	2.2
95.08619	1.3
96.08135	0.7
97.02897	0.6
97.06544	0.9
98.06055	0.4
99.04469	1.5
102.05573	0.6
105.07014	1.3
106.06567	0.6
107.04919	0.6
107.08589	1.8
108.08170	0.3
109.06517	0.8
109.10120	0.4
110.09705	0.4
111.04463	0.4
111.08113	1.0
112.03955	0.4
112.07565	0.3
113.06003	5.7
117.07028	0.5
119.08612	0.6
120.08115	1.1
121.10124	0.3
122.09669	1.1
123.08064	1.2
123.08923	0.2
124.11211	0.4
125.09647	0.5
126.09173	0.5
129.07051	0.5
131.07047	11.0
131.08527	0.5
132.08125	0.6
133.06474	0.4
133.10130	0.4
134.09639	1.5
135.08089	1.7
135.08937	0.3
135.11682	0.5
136.07640	0.3
136.11205	0.6
137.09616	0.5
138.09088	0.6
141.09100	1.5
143.08565	0.4
145.04933	0.4
145.06493	0.5
145.10106	0.6
146.09685	0.5
147.08054	1.1
148.07555	0.3
148.11188	0.5
149.09610	0.5
150.09186	1.4
151.07593	0.6
152.10704	3.2
153.09128	0.4
154.12230	0.4
157.10104	0.6
158.09758	0.3
159.08073	0.5
160.11156	0.4
161.05885	0.3
162.09145	0.4
163.07465	0.3
163.11176	0.5
164.10730	0.5
166.08582	0.3
168.10216	0.8
170.11847	0.3
172.94363	0.4
173.09692	0.5
175.11223	0.8
176.10614	0.4
178.08572	0.4
178.12262	0.5
180.10181	0.5
181.99017	0.3
182.11763	0.9
185.09633	0.5
187.11218	0.6
189.00714	0.7
190.95407	0.4
194.15363	0.3
204.13782	0.4
205.12172	1.4
207.01843	1.2
208.13309	0.9
213.12473	0.4
215.14294	0.3
218.11862	0.5
218.15381	0.7
220.17015	0.7
222.14932	0.3
228.13760	0.4
233.15425	1.1
236.16414	0.7
240.15985	0.6
242.98566	0.4
245.15227	0.5
246.14967	1.3
248.16579	0.4
250.14732	0.3
250.57416	0.3
252.15887	0.3
256.16907	0.3
262.18149	0.3
264.12323	0.4
264.15921	1.0
264.19421	0.5
266.13696	0.3
274.18018	0.7
282.17007	1.7
286.97495	1.5
292.12244	0.5
292.15466	2.0
292.19061	4.6
304.98520	1.9
310.16455	100.0
310.20111	65.6
311.07306	1.1
311.13470	0.3
311.16791	6.7
311.20444	3.5
324.38528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
55.05506	0.5
56.04987	0.5
63.48937	0.4
67.05462	1.6
67.05910	0.4
67.21112	0.4
68.04988	0.7
69.03385	1.6
69.07047	0.6
70.06562	0.7
70.41477	0.9
71.04969	0.6
79.05457	1.4
79.21676	0.5
80.04968	1.8
81.07039	0.8
82.06573	1.1
84.08147	3.0
91.05438	1.4
93.07007	1.9
94.06561	2.3
95.04893	0.8
95.08558	0.8
96.08090	0.9
97.06496	1.3
99.04422	0.5
105.07035	1.0
106.06528	1.1
107.07294	0.6
107.08595	0.8
108.08125	3.7
110.09615	0.7
111.08016	0.8
117.06952	0.8
120.08080	0.9
122.09644	2.5
124.07494	0.6
125.05975	1.6
125.09565	0.7
126.09118	1.5
131.07292	0.7
132.08107	2.6
134.09648	3.5
135.10396	2.0
136.11163	1.9
138.09116	0.6
142.08609	0.9
143.08591	0.7
145.10263	0.7
146.09613	3.6
148.11168	0.9
150.09125	3.0
152.10680	1.2
158.09601	0.8
160.09998	0.8
160.11220	10.4
161.11981	0.8
162.09126	1.1
164.10721	0.9
168.10231	0.7
178.12256	10.0
182.11780	12.8
183.12167	0.5
188.14302	1.8
192.13785	0.7
206.11720	0.7
206.15419	1.6
216.13832	0.8
224.12756	0.7
234.14882	25.3
235.15189	2.0
236.16382	1.7
248.16370	0.7
252.15945	64.5
253.16269	2.7
266.17487	3.2
274.18073	0.6
292.19122	1.9
310.20114	100.0
311.20374	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	310.2013
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
55.01871	0.9
55.05518	0.7
56.01938	0.2
56.05029	0.4
57.02611	0.3
57.03448	1.3
67.05501	1.2
69.03430	1.4
69.07070	0.5
69.82451	0.8
69.82795	0.3
70.06584	1.0
71.04996	0.7
72.63170	0.3
75.04475	1.1
79.05492	1.2
80.05002	1.2
81.07043	1.0
82.06571	0.9
83.06097	0.3
84.08149	1.0
88.99033	0.3
88.99545	0.3
91.05492	1.1
93.07034	1.3
94.06552	0.6
95.04964	0.6
95.08615	0.6
96.08142	1.2
97.06523	0.4
97.08900	0.3
98.22716	0.3
100.07626	0.6
105.07016	0.7
107.08562	0.4
107.79920	0.2
108.08128	0.7
110.09679	5.1
110.17495	0.3
112.07666	0.5
117.73880	0.3
119.08558	0.4
120.08109	1.6
121.10140	0.3
122.09672	2.4
123.08128	0.3
124.07548	0.4
124.11264	1.0
125.05984	0.6
125.09653	1.0
126.09112	0.4
129.07056	0.4
131.08630	0.5
132.08055	0.3
132.35037	0.3
132.78188	0.3
134.09651	2.2
135.08083	0.3
135.10432	0.4
136.11215	3.9
137.11990	0.9
138.09134	0.4
146.09628	0.7
148.11255	1.5
149.12016	0.5
150.09145	1.7
150.12808	0.5
150.58925	0.3
152.10641	0.5
160.11189	1.4
162.12779	4.4
164.14368	0.3
166.12209	0.3
168.10223	1.1
173.11777	0.3
174.12758	0.3
176.10777	0.4
178.12296	1.5
182.11754	2.0
188.14409	0.5
190.12236	0.9
190.15982	0.7
192.13814	0.8
194.11801	0.4
208.13332	0.4
210.14958	0.3
218.15434	0.6
222.14999	0.3
234.14917	1.9
236.16446	10.2
248.16432	0.6
252.15996	1.6
258.10834	0.3
264.19498	0.5
266.17487	1.2
274.18057	1.0
288.25726	0.3
292.19064	5.2
310.20117	100.0
311.20425	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	310.2013
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
55.01870	0.4
55.05516	1.0
56.60743	0.3
67.05496	0.7
68.05017	0.7
69.03433	2.2
69.07060	0.5
70.03773	0.4
70.06589	2.5
71.04997	1.7
79.05482	0.7
80.05023	1.0
81.07049	0.8
82.06606	0.6
83.04978	0.7
84.08132	1.6
85.02917	0.7
87.04471	0.4
91.05484	0.7
93.07065	1.4
94.06578	0.9
95.04968	1.1
95.08614	1.1
96.08130	0.9
97.01311	0.3
97.06535	1.0
100.07625	0.4
105.07028	1.1
107.08586	0.9
108.08111	2.5
109.06508	1.7
109.10123	0.3
110.09671	0.6
111.04448	0.4
111.08080	2.8
112.07730	0.3
112.08438	1.3
113.05276	0.3
113.08728	0.6
117.07024	0.7
118.06553	0.3
119.08601	0.7
120.08117	0.7
121.06502	0.6
121.08902	0.5
121.10121	0.5
122.09657	1.4
123.08048	0.6
124.11257	2.2
125.09632	1.1
131.08577	0.7
132.08124	0.4
133.06482	1.5
133.10075	0.4
134.09662	1.5
135.08046	1.0
135.11667	0.3
136.07602	0.9
136.11249	1.5
138.12785	0.8
141.09047	0.7
143.08611	0.6
144.08131	0.5
145.06467	0.6
145.10133	0.8
147.08018	0.7
148.07625	0.8
149.09605	0.5
150.09128	0.4
153.09137	1.1
158.09628	0.6
159.07976	1.4
160.11223	0.4
161.09645	1.1
162.09201	0.3
162.12811	1.3
164.12976	0.5
164.14359	10.4
172.11188	1.9
173.09636	0.9
175.11185	0.5
176.14334	0.6
177.15125	0.4
178.12314	0.6
182.11816	1.1
184.11237	1.3
186.12766	0.5
187.11168	0.6
187.14972	0.4
189.09175	1.0
189.12672	0.4
190.12215	0.5
194.15428	0.4
202.12326	1.3
203.10735	0.4
204.13835	1.4
208.13382	0.3
208.16049	0.5
212.16518	0.9
215.14307	2.4
216.15083	1.1
217.15915	0.9
218.15306	0.5
221.11627	0.4
224.12703	0.4
227.14301	0.9
234.14993	0.7
235.15472	0.5
236.15581	0.7
244.17041	1.3
245.15355	4.0
246.15355	0.4
250.14441	0.4
252.16064	0.9
256.16928	0.9
262.18124	0.7
263.16461	1.2
264.19641	0.7
266.17520	0.8
274.18002	2.1
275.16330	2.3
292.15897	0.4
292.19052	11.0
293.19513	0.8
296.20587	0.3
300.28436	0.3
310.20090	100.0
311.20456	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	310.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05509	0.7
57.03438	0.6
59.05006	0.4
60.05396	0.2
60.79996	0.2
67.05520	1.4
68.40768	0.2
69.03442	1.7
69.07071	0.6
69.37823	1.2
70.06590	0.5
71.04987	0.8
73.23467	0.3
79.05490	1.5
80.05020	1.0
81.07057	1.3
82.06579	0.4
83.07362	0.4
84.08152	0.6
85.02942	0.3
86.06066	0.4
91.05483	1.0
93.07033	0.9
94.06583	0.7
95.04966	1.3
95.08608	1.0
96.08119	0.5
97.06495	0.5
98.06020	0.3
105.07034	1.1
106.06557	0.5
107.08600	1.9
108.08140	1.8
109.06535	0.4
111.08122	0.4
119.08564	0.6
120.08110	0.5
121.06475	0.6
121.10239	0.3
122.09698	1.4
124.07597	0.3
124.11217	0.7
125.05966	0.5
125.09635	0.7
131.04950	0.3
132.08075	0.8
133.08708	0.3
134.09651	1.3
135.10503	0.3
136.11234	0.6
137.09595	2.1
138.12801	0.6
140.07068	0.4
145.10068	0.4
146.09665	0.9
147.08081	1.4
147.49312	0.3
148.11191	0.5
149.09624	0.5
150.09082	1.3
151.07559	0.4
154.12263	0.6
159.08055	0.6
160.11238	1.8
162.12814	0.5
164.14346	0.5
165.09171	0.6
168.10187	1.1
170.11798	0.4
176.10678	0.3
177.12848	0.3
178.12254	1.1
182.11761	2.8
188.14313	0.4
204.13919	0.7
204.17477	0.4
205.15863	1.5
216.13818	0.4
218.15369	0.4
232.13394	0.3
232.17000	1.0
233.15276	1.5
234.14873	4.7
235.15196	0.3
236.16463	0.7
250.14421	0.6
250.17982	1.1
252.15973	1.8
260.16705	0.7
264.19611	0.6
266.17590	0.4
274.17822	0.4
275.16397	0.9
278.17538	3.4
292.19067	6.7
293.19354	0.6
310.20126	100.0
311.20459	5.9
311.23993	0.2
325.53607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2014
Annotation	Metipranolol
Peak:m/z	Relative Intensity
53.03938	0.3
55.01864	0.5
55.05501	1.0
56.05036	3.0
57.03444	0.2
57.07063	1.0
59.04998	1.1
65.03934	0.3
67.05514	2.1
68.05019	0.3
69.03421	1.1
69.07063	1.1
70.02957	0.8
70.06606	0.8
71.04993	3.9
71.08629	0.4
79.05494	5.4
80.05022	0.4
81.03409	0.7
81.07054	2.6
82.06578	0.4
83.04972	0.4
83.08624	0.3
84.04507	23.6
84.08139	0.4
85.04820	0.3
85.06547	0.9
86.01441	0.2
87.70731	0.2
91.05484	1.6
92.94605	0.3
93.07047	6.4
93.07607	0.5
94.06572	0.3
95.04968	6.2
95.08598	1.2
96.04485	1.0
96.08145	0.3
97.06532	0.7
98.06084	0.6
98.09700	0.6
99.08093	1.1
100.11256	0.6
102.05546	3.8
105.07030	1.1
106.06573	0.4
106.86390	0.2
107.04962	3.3
107.08600	7.1
108.08148	0.5
109.06525	1.1
109.10159	0.5
110.06090	0.3
110.09672	0.7
110.18164	0.3
111.08092	0.4
112.11261	1.4
114.05511	0.3
116.10749	2.4
117.07021	1.5
119.08553	0.7
120.08111	0.6
121.06521	1.2
121.10151	5.0
122.09686	0.6
123.08065	0.3
124.07581	0.4
124.11224	0.8
127.07547	3.6
128.10721	0.9
133.09993	0.2
134.09691	0.5
135.08055	17.9
136.08441	0.6
136.11189	0.6
137.05998	0.3
137.09610	1.1
137.41481	0.2
138.09120	0.5
138.12772	0.6
139.07530	0.8
140.10699	3.9
142.12271	0.7
149.13252	4.8
152.10706	0.9
154.08652	0.8
154.12250	0.8
159.11725	0.3
163.07535	0.9
164.14363	0.3
165.09016	0.3
165.12834	0.2
166.08717	0.3
166.12283	1.5
167.14246	0.3
170.11813	0.6
177.12778	1.6
180.10217	0.6
180.13737	0.5
182.11844	0.6
191.14334	1.4
194.11797	0.4
195.10143	2.3
204.13837	0.9
208.16983	0.5
222.14705	0.3
222.18423	0.4
224.16147	0.3
232.16895	1.2
236.16562	0.3
250.18004	4.5
252.15865	0.5
258.80139	0.2
260.16446	0.7
264.19626	0.3
268.19128	0.9
272.97388	0.3
278.17477	5.2
282.20810	0.3
292.19153	1.1
310.20120	100.0
311.20453	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	310.2015
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
55.01855	0.3
55.05504	0.3
57.07068	0.4
59.05000	0.6
66.26762	0.2
67.05505	1.2
69.03423	1.4
69.07061	0.6
69.44158	0.5
69.44561	0.8
71.04993	0.7
79.05495	1.3
80.05003	0.8
80.46807	0.2
81.07053	0.8
82.06576	0.4
83.04954	0.3
83.07388	0.4
84.08141	0.6
85.06478	0.2
86.06057	0.4
89.48771	0.2
90.04706	0.2
91.05485	0.8
93.07046	1.0
94.04297	0.2
94.06570	0.5
95.04967	1.1
95.08607	0.7
96.08143	0.6
97.06531	0.8
98.06046	0.3
99.04442	0.2
101.92612	0.2
105.07028	0.7
106.06554	0.3
107.08581	1.2
108.08101	0.7
110.09705	0.3
111.08118	0.4
115.91706	0.2
119.08578	1.1
120.08135	0.3
121.06509	0.8
122.09644	0.6
124.07562	0.3
124.11258	0.5
125.09627	0.7
126.12840	0.4
131.08586	0.5
132.08080	0.5
133.08827	0.3
133.10071	0.3
134.09633	0.7
135.10425	0.3
136.11234	0.4
137.09605	2.2
138.12813	0.6
140.07065	0.4
145.10110	0.5
146.09645	0.5
147.08028	1.6
147.11723	0.5
148.11203	0.6
149.09615	0.5
150.09128	0.9
152.10677	0.4
153.05481	0.3
154.12276	0.7
159.08098	0.6
160.11224	0.9
162.12845	0.4
164.10698	0.3
164.14384	0.4
165.09123	0.6
168.10234	0.4
170.11736	0.8
173.09630	0.4
175.14827	0.4
177.12646	0.5
178.12210	0.4
178.15746	0.2
182.11772	1.3
186.12766	0.4
187.14874	0.3
204.13707	0.5
204.17426	0.5
205.12260	0.4
205.15875	2.1
215.14244	0.5
218.15427	0.3
228.17766	0.2
232.16933	1.0
233.15321	1.5
234.14830	2.8
236.16267	0.3
250.18021	2.4
252.15948	1.5
260.16464	0.9
266.17474	0.3
274.18115	0.4
275.16385	0.8
278.17505	4.7
292.19098	4.0
310.20111	100.0
311.20419	5.4
316.79333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2012
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
55.01872	2.5
55.05492	0.6
59.04987	0.3
61.22932	0.3
64.33971	0.3
65.03921	0.4
67.05505	1.8
68.05008	0.4
69.03403	1.5
69.37659	1.2
70.06557	0.8
79.05448	1.5
80.05003	0.9
81.07023	1.1
82.06547	1.3
83.04962	0.6
83.07338	0.4
84.08151	1.7
91.05457	1.4
93.05814	0.3
93.07001	1.2
93.65121	0.3
94.06539	1.6
95.08573	0.6
96.08092	0.7
97.06503	1.1
99.04426	0.4
100.07552	0.4
105.07018	1.0
106.06505	1.4
107.08566	0.8
108.08112	3.8
110.09647	0.9
111.08038	1.1
112.07616	0.4
112.08416	0.3
117.07037	0.5
118.06460	0.5
119.08579	0.4
120.08072	1.6
122.05987	0.6
122.09668	3.1
124.07586	0.5
125.05969	1.8
126.09094	1.5
127.44852	0.3
132.08078	2.0
133.08826	0.5
134.09641	2.5
135.10446	2.8
136.11151	1.3
138.09181	0.7
142.08569	1.0
143.08556	0.6
145.08812	0.4
146.09666	2.9
147.10413	0.5
148.11203	0.7
150.09157	3.3
150.12842	0.4
152.10640	0.9
154.12282	0.6
158.09616	0.5
160.11208	9.4
161.11896	0.7
162.09045	0.4
162.12711	0.6
164.10664	0.8
168.10173	0.4
178.12274	8.4
180.10088	0.5
182.10219	0.7
182.11758	11.3
183.12057	0.4
188.10638	0.4
188.14334	1.3
206.11757	1.1
206.15324	0.8
208.13335	1.0
216.13858	0.9
224.12733	0.4
232.13094	0.4
234.14882	23.7
235.15182	1.2
236.16371	0.8
248.16481	0.5
252.15935	63.9
253.16241	3.2
266.17441	3.7
274.17966	0.7
292.19009	1.1
310.20099	100.0
311.20459	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	310.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05029	0.3
59.04734	0.4
59.05003	3.7
67.05498	0.5
69.03426	0.2
70.06593	1.8
71.04988	0.5
74.02296	0.2
79.05473	0.5
81.07079	0.3
82.06588	0.5
83.07357	0.4
84.08146	1.2
93.07066	0.3
95.08601	0.8
96.08124	1.9
97.08873	0.4
99.04421	0.4
101.05987	0.5
110.09680	2.9
119.61116	0.2
122.09663	5.0
124.04021	0.2
124.11242	0.4
129.05492	0.5
134.09668	0.4
135.10388	0.3
136.11224	3.4
137.12004	5.1
138.12779	27.1
139.13123	0.7
141.09036	0.2
148.11243	0.3
150.12758	0.3
162.12761	0.9
163.13541	0.6
176.14326	2.8
177.15004	0.5
178.15926	0.4
191.16722	0.7
209.23796	0.3
213.12410	0.4
232.20639	1.0
250.21664	7.0
250.24260	0.4
251.21912	0.3
278.21188	2.0
292.22696	12.5
293.23148	0.5
310.23755	100.0
311.24054	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	310.2377
Annotation	Melophlin M
Peak:m/z	Relative Intensity
52.98786	0.1
55.05504	0.3
59.05001	2.8
67.05501	0.5
68.88390	0.1
69.03417	0.2
69.07056	0.2
69.47781	0.6
70.06612	0.9
71.04982	0.5
74.83274	0.1
79.05504	0.4
79.16295	0.1
81.07053	0.2
82.06566	0.4
83.07372	0.3
84.08144	1.7
93.07052	0.4
95.08611	0.6
96.08123	2.5
97.08913	0.3
99.04471	0.2
101.06032	0.5
107.08558	0.2
108.08109	0.3
108.66425	0.1
109.08878	0.2
110.09685	2.9
122.09669	5.0
123.10445	0.2
124.11225	0.5
129.05486	0.5
134.09647	0.5
136.11218	3.7
137.12001	5.1
138.12776	26.3
139.13107	1.1
144.18546	0.1
148.11203	0.2
149.11951	0.2
150.12784	0.4
162.12808	0.7
162.78981	0.1
163.13548	0.4
164.14328	0.2
176.14316	2.7
177.15067	0.4
178.15927	0.4
180.17557	0.2
182.19034	0.2
190.15863	0.2
191.16693	0.5
194.15445	0.2
204.17479	0.5
210.94339	0.2
211.76639	0.2
232.20595	0.5
250.17949	0.3
250.21661	6.7
251.21817	0.4
260.20184	0.2
278.21121	2.6
292.22693	11.8
293.22934	1.0
308.22189	0.3
310.23746	100.0
311.24072	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	310.2378
Annotation	Melophlin M
Peak:m/z	Relative Intensity
55.01864	0.8
55.05508	0.8
56.05024	1.1
58.06609	0.4
59.04999	0.9
67.05167	0.4
67.05508	4.3
69.03432	0.5
69.07073	1.5
69.31060	0.3
69.43033	1.3
70.06589	1.5
71.07671	0.3
76.72564	0.3
79.05489	2.8
80.05019	0.6
80.35163	0.2
81.07063	3.9
82.06570	0.7
83.08602	0.3
84.08151	3.9
85.06546	0.3
87.28556	0.3
91.05469	1.5
93.07055	3.2
94.06569	1.6
95.08610	2.0
96.08133	2.0
96.43182	0.3
98.09695	0.3
105.07033	1.5
106.06550	0.4
107.08587	2.6
108.08120	0.8
109.10155	1.7
110.08955	0.4
110.09682	4.6
111.08032	0.3
117.07001	0.3
119.08567	1.0
120.08090	0.7
121.10133	1.1
122.09671	1.6
123.10466	0.4
124.11224	1.6
125.05994	1.0
131.08582	0.7
133.10126	0.7
134.09654	1.2
135.10393	0.3
135.11673	0.5
136.11223	2.3
138.12755	1.2
145.10121	0.7
147.11682	0.6
148.11230	0.8
149.13216	0.4
150.09148	1.0
150.12766	0.6
159.11697	0.7
161.13295	0.6
162.09175	0.3
162.12778	1.1
166.15904	0.5
168.10205	0.3
168.15367	0.2
173.13274	0.3
176.14317	1.2
178.15903	2.0
187.14839	0.5
190.15958	1.2
198.14882	0.8
204.17474	30.8
205.17877	1.3
224.16397	0.7
232.20561	0.3
260.20129	0.9
264.19504	0.7
278.21146	8.9
279.21616	0.5
292.22705	39.4
293.23035	2.9
310.23755	100.0
311.24103	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	310.2532
Annotation	Holaromine
Peak:m/z	Relative Intensity
50.39981	0.3
53.03938	0.5
55.05518	2.7
57.07071	0.9
60.61591	0.3
67.05508	2.6
67.29729	0.3
68.05023	0.3
69.07072	1.9
70.06595	6.0
71.42389	0.4
77.03949	0.4
79.05499	5.2
80.05035	0.5
81.07053	2.9
83.07372	1.2
84.08154	0.6
91.05489	5.6
93.07050	6.8
94.06555	0.5
95.04985	0.8
95.08607	1.1
96.08131	3.7
105.07036	5.7
107.08586	2.7
108.08125	0.9
109.08876	0.4
111.04400	0.4
116.62536	0.3
117.07028	2.7
118.06563	0.6
119.08584	5.0
120.08105	1.5
120.08878	0.4
121.10168	0.6
122.09676	6.2
128.06248	0.7
129.07013	6.9
130.06450	0.4
131.08566	7.1
133.09090	0.4
133.10120	2.4
134.09631	1.1
135.11725	0.4
136.11240	2.3
137.12001	2.2
141.06996	0.9
142.07753	1.1
143.08578	5.1
144.09343	1.4
145.10121	5.2
146.09651	2.9
146.10728	0.5
147.10394	0.4
148.11201	1.0
149.13235	0.8
150.12825	1.1
153.05464	0.5
155.08530	0.7
157.08910	0.8
157.10129	5.1
158.09642	1.0
158.10834	0.6
159.11687	1.1
160.11230	2.0
161.13284	2.0
162.12782	1.2
169.10185	1.0
170.09708	0.8
170.10982	0.4
171.10429	0.5
171.11700	1.9
172.11246	1.2
173.11880	0.6
173.13269	6.1
174.12749	3.6
175.14893	0.6
183.11713	0.7
184.11211	1.5
185.11923	0.6
185.13321	1.2
186.12788	7.7
187.13400	0.9
188.14372	1.4
190.15887	0.8
191.10675	0.6
196.11116	0.4
197.13402	0.4
198.12776	1.4
199.13260	0.4
199.14842	1.3
200.14342	1.4
209.11710	3.1
211.13483	0.5
212.14296	3.1
213.15065	0.6
214.15894	0.6
224.14369	1.5
226.15895	3.6
228.17450	2.0
229.18159	0.6
237.11215	3.1
238.15936	1.7
239.16554	0.5
240.17516	4.5
241.18301	1.5
242.18938	0.9
252.17497	3.4
253.18137	0.7
254.19034	3.3
255.12393	0.6
255.19730	0.7
266.19067	2.1
277.63940	0.4
280.20569	3.3
281.21393	1.3
282.22214	0.6
308.23666	1.6
310.25290	100.0
311.25616	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	2.3
55.01868	4.1
55.05514	24.0
57.03440	3.7
61.17030	1.9
64.43392	2.2
65.03960	2.9
66.32030	1.9
67.05164	3.1
67.05511	58.0
67.56880	2.1
68.51597	2.5
69.03436	3.3
69.07076	19.1
70.50560	3.5
71.04983	3.1
77.27287	2.1
79.05502	33.3
81.07065	74.5
83.04962	5.0
83.08607	17.1
85.06542	2.9
91.05479	37.8
93.07054	45.9
93.61482	2.6
95.04962	8.3
95.08612	36.7
97.06535	9.0
97.10159	6.1
105.07031	45.9
107.04963	6.1
107.08602	23.3
109.06525	11.2
109.10158	19.3
111.08073	6.0
117.07008	11.2
119.08592	32.9
121.06519	4.7
121.10159	18.7
123.08061	7.5
123.11708	6.9
125.09631	4.9
129.06999	3.0
131.08580	14.4
133.10123	33.7
135.08060	7.2
135.11688	8.7
137.09651	3.2
139.11118	3.4
145.10141	14.2
147.08034	2.8
147.11667	19.9
149.09631	13.2
149.13249	8.0
151.11162	3.9
157.10181	3.7
159.11684	11.3
161.13295	3.7
163.11165	8.5
165.12791	4.7
169.10155	3.0
171.11693	3.8
173.11745	2.7
173.13223	5.0
175.11145	2.9
177.12643	3.4
183.11743	3.3
187.11128	2.8
189.11261	3.4
195.13849	7.7
197.13246	3.4
199.50803	2.7
213.14737	4.0
213.16534	2.7
229.19604	4.2
235.16891	5.1
239.17987	5.7
247.20599	2.8
257.18985	12.4
275.20071	100.0
276.20413	7.2
293.21060	13.4
299.81958	2.3
311.14740	3.8
312.25424	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03954	3.0
55.01870	9.6
55.05510	59.3
55.05782	2.8
57.03439	22.8
57.07074	18.4
58.35128	1.4
65.03913	2.1
67.05503	69.2
67.05865	3.5
69.03426	7.3
69.07066	53.4
69.97667	4.2
70.16180	1.3
71.04987	17.4
71.08630	96.4
79.05495	27.2
81.03411	9.0
81.07053	59.5
83.04980	20.1
83.08618	32.5
85.02907	16.3
85.06548	11.7
85.10183	4.8
91.05486	22.2
93.07045	44.4
95.04964	14.4
95.08602	96.9
96.08963	2.5
97.06527	10.6
97.10168	17.6
99.04443	17.8
99.08090	82.6
100.08449	2.0
101.06002	3.2
102.12911	1.5
105.07002	7.2
107.08594	21.0
109.06512	4.8
109.10149	36.4
111.04433	1.8
111.08092	7.5
111.11720	4.0
113.05993	4.7
117.07018	5.7
119.08572	18.8
121.06477	2.4
121.10136	18.2
123.08047	11.3
123.11710	5.8
125.09594	4.0
127.11171	2.9
131.08553	7.0
133.10124	12.9
135.04376	2.9
135.08017	2.9
135.11700	18.0
137.09602	21.8
137.13208	2.7
139.11171	5.5
143.08484	1.7
145.10129	1.7
149.13249	15.1
151.11185	44.3
152.11525	2.5
153.12709	2.2
155.10661	68.5
156.11009	2.2
159.10577	1.5
159.11658	9.4
161.09602	9.4
163.14792	2.8
165.12761	4.6
167.14297	11.0
175.11189	1.6
177.12753	14.4
178.13081	2.0
179.10654	2.0
183.13773	1.6
191.14334	3.3
195.13783	42.7
209.11641	2.4
219.21028	4.8
229.19601	2.8
237.11186	3.7
237.22151	3.9
247.20467	8.3
251.20058	6.2
257.19019	5.2
265.21567	1.8
275.20081	21.8
293.21075	100.0
294.18610	1.5
294.21262	6.6
311.25781	99.5
312.26111	5.4
330.03650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.15849	1.1
50.90414	1.1
50.96238	1.2
53.03955	2.0
53.84999	1.3
55.01866	6.3
55.05512	25.5
57.03439	7.2
57.07080	6.6
59.04997	3.9
59.61625	1.4
65.03941	1.6
67.05505	68.3
69.03428	5.9
69.03755	1.2
69.07069	12.8
69.68853	5.0
71.04987	10.2
71.08632	56.5
79.05485	18.8
81.03422	6.2
81.07062	24.2
83.04981	22.4
83.08612	12.6
85.02917	6.9
85.06556	4.3
91.05477	18.6
93.07047	29.4
93.07608	2.5
95.04974	12.9
95.08610	44.4
95.74318	1.3
97.06510	6.8
97.10169	6.8
99.04459	3.5
99.08098	30.4
101.06001	1.6
105.07032	8.4
107.04985	1.9
107.08607	10.1
109.06539	4.5
109.10154	48.8
111.04445	2.2
111.08091	3.7
113.05994	2.9
117.07034	3.5
119.08593	15.0
121.06532	1.7
121.10153	8.9
123.08044	3.5
123.11784	1.4
125.09633	4.1
127.11214	4.5
131.08554	4.6
133.10104	8.3
135.08078	2.8
135.11714	3.6
137.09627	18.6
139.11180	55.2
140.11520	2.0
145.10120	3.4
147.11673	2.4
149.09622	4.0
149.13269	2.8
151.11176	23.9
152.11513	1.6
155.10666	35.1
159.11711	4.9
161.09605	10.3
163.11189	3.0
163.57469	1.3
165.12793	3.4
169.12259	1.5
173.11752	31.0
173.13235	2.4
177.12758	13.6
179.10643	7.4
186.89961	1.3
191.14265	2.4
195.12270	1.5
195.13721	6.5
209.11703	10.1
229.19489	3.6
237.11200	5.2
247.20610	4.6
251.16374	2.1
257.18915	6.5
265.21606	17.6
275.20074	25.2
276.20282	1.7
293.21106	100.0
294.21323	7.8
311.22171	40.1
312.15970	2.0
312.22452	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.93528	2.4
53.27130	2.3
55.01864	11.5
55.05508	20.6
55.79716	2.5
57.07063	6.2
62.20300	2.3
66.80444	2.7
67.05501	22.8
69.03446	3.7
69.06707	4.2
69.07063	56.2
70.55270	5.2
71.04991	7.7
71.08611	2.8
71.94672	2.4
79.05486	16.6
80.34964	2.4
81.03414	7.5
81.07053	30.3
83.04987	17.1
83.08614	8.2
85.02894	6.2
85.06539	3.7
91.05466	10.1
93.07047	26.9
95.04971	46.5
95.08595	22.1
97.06516	9.3
97.10145	8.5
98.97566	3.1
99.04449	3.9
105.07024	8.4
107.04961	7.2
107.08590	11.6
109.06499	6.9
109.10159	6.9
110.84936	2.8
111.04437	26.3
111.08041	4.4
116.62914	2.3
117.07008	6.1
119.08568	9.2
121.06503	5.1
121.10139	12.5
121.55397	2.5
123.08040	5.2
125.09650	6.2
129.07051	2.4
131.08546	9.2
133.10095	7.5
135.08044	9.6
135.11685	3.9
139.11110	5.3
144.06302	4.3
145.10104	6.1
147.11653	4.8
149.02296	4.5
149.09644	6.3
149.13274	5.0
151.11269	2.5
159.11685	10.4
161.09584	3.9
163.11200	7.2
167.14246	5.5
173.13257	4.2
177.12723	7.1
181.03244	2.4
193.04997	5.6
195.13809	3.7
196.62524	2.7
203.12724	3.0
204.29695	2.4
207.13805	6.0
216.90721	3.3
216.98552	2.9
219.13629	3.1
222.12106	2.8
223.13258	3.9
225.14793	4.1
237.14839	41.9
241.14360	3.1
275.20059	41.4
293.21075	100.0
294.21469	8.4
311.24573	9.6
311.74579	4.4
312.11499	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	311.2221
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03935	3.0
55.01876	12.0
55.05260	1.4
55.05515	17.8
56.01380	1.2
57.03433	2.3
57.07075	30.0
59.04992	1.3
62.92576	1.4
67.05508	24.3
68.99784	2.1
69.03423	3.4
69.07073	9.9
69.30209	1.3
71.04994	6.6
71.08641	9.6
71.45150	1.6
79.05492	10.7
81.03422	5.5
81.07056	19.2
83.04990	16.4
83.08616	8.3
85.02919	8.5
85.06545	3.0
91.05492	12.9
93.07043	19.7
95.04964	32.8
95.08605	41.5
97.06548	5.5
97.10152	3.3
98.97593	1.9
99.04459	6.1
99.08103	9.2
101.06012	1.7
105.07030	8.7
107.04950	8.5
107.08596	9.0
109.02895	4.8
109.06494	6.6
109.10158	15.7
109.54521	1.8
111.04446	38.9
111.08080	7.9
113.06021	3.5
117.07022	3.6
119.08591	11.7
121.06501	3.7
121.10169	6.6
123.08052	9.0
125.05983	6.5
125.09626	4.1
127.07536	1.7
127.11195	1.7
131.08577	5.8
131.59576	1.3
133.10126	11.1
135.04425	2.6
135.08098	2.2
135.11707	2.7
137.09630	10.1
145.10162	6.3
147.08116	1.8
147.11716	2.1
149.02328	2.8
149.09621	10.6
149.13249	1.5
151.11163	9.9
153.05452	21.0
155.10680	30.9
156.11102	1.7
159.11649	2.6
161.09682	2.3
161.61084	1.4
163.03844	1.9
163.11194	15.0
165.12769	2.7
167.10727	2.2
177.12743	3.4
181.04926	6.4
181.12209	8.3
183.13904	2.4
191.10648	13.9
193.04976	7.0
205.12245	2.3
209.11731	100.0
210.12102	5.1
221.15364	1.6
223.13303	16.1
229.19478	2.5
237.11203	83.3
238.11589	3.6
247.20607	3.6
251.20021	3.2
255.12292	21.7
257.18973	2.9
265.21606	2.3
275.20047	18.0
293.17551	9.5
293.21057	88.0
294.18530	1.3
294.21445	6.7
307.10168	1.5
311.12726	2.2
311.18570	7.6
311.24655	11.1
311.74689	2.4
332.35190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03941	3.5
53.25369	0.7
54.73591	0.7
55.01866	3.3
55.05511	48.2
57.03436	22.3
57.07077	20.3
67.05504	38.9
68.05807	0.8
68.86868	0.7
69.03416	2.1
69.07069	52.6
70.07389	1.0
70.53568	1.2
70.53912	1.2
71.04984	3.1
71.08628	7.2
79.05491	18.1
81.03416	10.9
81.07056	35.8
82.07394	0.9
83.04971	4.4
83.08618	32.4
85.06537	3.3
85.10180	3.4
91.05486	7.3
93.06454	0.8
93.07048	20.8
95.04971	8.7
95.08606	34.9
96.08932	0.8
97.06529	6.5
97.10164	21.4
99.04500	0.9
99.08102	1.9
105.07026	4.0
106.07360	0.9
107.04958	2.2
107.08591	14.6
109.06541	1.5
109.10157	17.5
110.22987	0.8
111.04451	2.2
111.08085	4.5
111.11712	4.3
117.07024	1.6
119.08584	4.9
121.10139	15.9
123.08037	1.2
123.11681	6.9
125.09631	9.0
128.00740	0.8
131.08553	1.9
133.10139	2.7
135.08081	1.0
135.11685	9.5
137.09608	11.8
137.13239	3.0
139.11188	2.7
141.12704	0.9
145.10150	2.0
147.08046	0.9
147.11679	1.6
149.09628	1.9
149.13254	5.7
151.11200	2.3
153.05463	1.5
153.12744	2.8
155.10651	1.0
159.11693	1.4
163.11168	1.9
163.14864	1.5
165.09128	1.0
167.10622	1.1
173.11757	2.5
177.16267	0.9
181.04941	1.6
181.12274	1.7
189.11223	2.2
191.10680	1.8
209.11725	10.8
219.21118	3.6
223.13426	0.7
224.88605	0.8
237.11258	7.9
237.22200	3.7
243.09940	0.8
247.20575	1.9
255.12282	1.7
257.19128	1.3
265.21606	1.0
275.20114	7.2
293.21066	24.9
294.21478	1.5
294.27951	1.6
311.25787	100.0
312.26093	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	3.9
55.01875	14.2
55.05510	19.6
55.44778	1.0
57.03429	7.3
57.07070	9.9
65.03952	1.6
67.05505	46.4
69.03413	1.7
69.07068	18.0
69.73415	2.5
71.04980	3.7
71.08624	4.3
79.05495	17.7
81.03425	9.3
81.07056	30.9
83.04993	9.3
83.08617	9.3
85.06535	3.2
85.10180	4.8
91.05474	12.0
93.07045	20.5
95.04971	9.4
95.08605	100.0
96.08931	3.2
97.06541	9.7
97.10165	6.1
99.08073	2.8
105.07044	8.4
107.04970	2.0
107.08582	10.6
109.06510	3.2
109.08995	1.1
109.10147	13.8
111.04446	2.6
111.08086	2.6
113.09689	3.0
114.35378	1.1
117.07018	3.4
118.99728	0.9
119.08591	4.7
121.06488	1.4
121.10136	6.2
123.08076	7.5
123.11716	2.1
125.09635	8.6
131.08566	3.7
133.10110	4.0
135.08060	1.7
135.11688	5.9
137.09628	2.9
137.13295	1.1
139.11157	1.6
141.09094	12.6
144.08392	1.6
145.10147	2.0
147.11691	1.1
149.09647	1.1
149.13251	2.6
151.11169	5.8
153.05428	2.1
153.12712	2.0
153.23415	1.1
159.10172	43.5
160.10464	1.1
163.11163	2.5
163.14851	2.0
165.09258	0.9
165.12720	4.4
166.09441	1.4
167.10745	1.6
167.14436	1.4
169.12332	1.0
173.11784	2.3
177.12820	2.4
181.05005	1.1
181.12244	2.3
181.15845	1.4
189.13026	1.1
191.10695	1.5
193.12329	1.8
194.12627	2.1
195.13928	1.3
209.11696	9.3
219.17426	1.4
229.19682	1.2
237.11195	9.2
247.20586	4.5
255.12288	2.5
257.19067	1.4
265.21628	84.7
266.22012	5.2
268.12634	1.1
270.64883	1.3
275.20013	3.7
293.20969	8.7
296.71960	1.0
311.18729	1.6
311.22104	17.0
311.25797	17.3
312.11749	1.4
312.22241	1.3
312.25565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03962	2.1
55.01869	7.4
55.05296	1.8
55.05517	23.3
57.03435	2.9
57.07085	8.8
61.55776	1.4
65.03972	1.8
67.05505	27.9
69.07068	19.5
71.04993	3.5
71.08636	2.4
71.16509	1.6
73.02880	1.7
79.05495	13.9
81.03415	4.2
81.07056	27.7
83.04979	6.4
83.08620	16.9
83.58924	1.6
85.02897	2.1
85.06541	4.8
85.10175	2.2
91.05476	15.7
92.84097	1.7
93.07063	17.3
95.04964	9.5
95.08599	18.4
97.06528	4.5
97.10158	4.5
99.04439	2.2
99.08104	3.0
105.07035	13.5
107.04948	4.2
107.08611	15.6
109.06518	5.0
109.10150	25.4
111.04443	7.1
111.08069	3.6
113.05984	2.5
113.09658	2.9
117.07035	3.0
119.08562	6.7
121.06507	1.8
121.10149	8.1
123.08106	2.4
123.11732	5.3
125.06002	2.6
125.09640	4.2
131.08586	5.4
133.10132	23.9
135.04420	100.0
135.05370	3.5
135.11676	6.3
136.04774	4.0
137.09641	3.8
145.10127	5.7
147.11703	5.5
149.09610	4.6
149.13263	2.7
151.11186	15.4
153.05467	1.7
159.11705	3.3
161.09619	47.8
162.10008	2.1
163.11206	4.6
168.33156	1.4
169.12253	4.6
173.13297	2.5
181.12294	2.1
191.10721	2.4
193.12244	2.6
207.13669	1.5
209.11725	18.2
211.13231	8.2
229.19434	2.7
229.37868	1.4
237.11169	11.9
239.18024	2.1
239.84938	1.9
247.20551	5.5
255.12137	3.0
257.18918	5.2
275.20071	20.5
276.20560	2.0
284.98587	1.8
293.21115	24.7
304.37186	1.9
311.16608	4.0
311.25793	5.8
312.18127	2.1
312.32648	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03956	0.9
55.01871	1.5
55.05510	15.6
57.03441	2.7
57.07073	1.7
59.05007	4.1
65.03947	1.1
67.05503	100.0
67.68282	0.7
68.05847	2.1
69.03401	1.6
69.07056	5.1
69.60975	2.6
71.04994	19.4
71.08635	1.9
79.05495	9.3
81.03402	2.0
81.07056	22.4
83.04993	1.8
83.08620	8.3
85.06549	2.7
87.04475	1.2
91.05479	9.1
93.07046	14.6
93.07603	1.0
95.04967	3.1
95.08604	77.9
96.08953	2.1
97.06563	2.4
97.10175	4.2
99.08093	3.1
105.07056	2.8
107.08592	8.7
109.06487	1.4
109.10155	71.1
110.10524	1.5
111.04408	1.2
111.08084	3.0
113.09679	1.2
116.69963	0.7
116.98569	0.8
117.07024	1.4
119.08585	8.0
121.10160	10.1
125.09610	3.4
127.11145	0.7
131.08554	1.3
133.10138	2.9
135.11693	6.9
137.06020	0.9
137.09642	4.3
139.11162	0.9
140.93225	0.7
145.10172	1.9
146.10538	0.6
147.11667	1.6
147.69870	0.8
149.09634	0.8
149.13385	1.3
155.10660	10.6
159.11717	2.4
162.95511	0.6
163.11276	2.4
163.14888	0.8
173.11736	70.3
174.12053	1.7
177.12766	0.8
177.16333	6.1
187.14876	0.8
189.11281	1.8
195.17448	3.9
223.13275	1.1
229.19539	1.3
247.20618	6.6
253.10866	0.8
265.21573	10.3
275.16934	0.9
275.20120	2.7
279.09012	0.7
293.21106	16.0
311.09222	1.2
311.22171	7.0
312.12222	3.1
312.21817	0.8
312.25183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.222
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.48266	1.6
53.03940	2.8
55.05513	100.0
56.05855	2.2
57.03439	4.2
57.07075	8.6
67.05510	15.8
69.03439	2.6
69.07079	8.3
69.14604	11.4
71.04995	3.8
71.55094	1.6
79.05475	11.2
81.03417	36.8
81.07057	16.0
83.04983	13.7
83.08619	89.9
85.02922	4.4
87.04419	2.1
91.05479	13.5
93.07039	7.1
95.04974	18.4
95.08601	9.0
97.06532	5.3
97.10192	5.2
100.80144	1.6
105.07027	9.3
107.04959	3.5
107.08594	6.2
109.06519	3.5
109.10178	3.0
111.04481	5.0
111.08100	7.4
119.08581	8.6
121.10165	4.9
125.09650	3.1
129.07036	4.7
129.44366	1.7
131.08571	5.8
133.10146	5.7
135.04422	19.9
135.11644	1.8
145.10126	2.7
147.11649	8.6
149.09644	3.9
153.05464	2.7
157.10156	8.4
161.09633	9.8
173.13417	2.0
174.97696	1.7
175.11192	9.8
193.12260	41.4
209.11708	14.0
211.13292	98.3
212.13695	5.0
235.16891	2.7
237.11159	9.2
253.17952	2.3
255.12352	3.8
311.16864	3.4
312.32663	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	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.1
55.05511	42.6
55.64315	7.5
57.03429	14.2
57.07081	16.8
65.26962	6.8
67.05513	40.3
67.60942	6.1
68.51187	6.9
69.07072	98.5
69.47417	29.4
79.05496	28.4
81.07067	33.8
82.92553	6.4
83.08633	20.1
85.60752	6.5
91.05475	40.8
93.07053	99.8
95.04970	100.0
95.08613	91.7
97.05952	6.4
97.06545	34.8
97.10176	19.4
105.07030	68.8
107.08601	55.0
109.06535	17.6
109.10175	39.1
117.07050	15.7
119.08584	74.1
121.06517	16.7
121.10142	49.6
123.08075	21.8
129.07083	9.1
130.07811	12.6
131.08594	20.4
133.10129	45.4
135.04497	6.9
135.08049	14.3
135.11703	19.4
137.13222	7.6
143.08601	14.6
145.10121	50.2
147.11685	21.6
149.13249	11.3
157.10170	30.3
159.11678	56.1
161.09628	9.8
161.13219	17.9
169.10179	12.2
171.11691	16.7
173.13260	14.0
175.14848	10.3
177.16391	25.4
187.11249	9.8
187.14844	12.0
189.16400	18.3
197.13208	14.3
201.16437	11.5
203.18028	6.8
211.14909	14.8
237.16473	8.0
293.22827	10.0
311.23587	31.9
311.26413	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	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01875	0.8
55.05514	46.0
56.05852	0.4
57.03442	19.3
57.07078	21.8
59.04999	0.6
65.25524	0.4
67.05502	8.0
69.07071	53.5
70.07389	0.8
71.04966	1.0
71.08273	0.9
71.08636	13.0
73.02914	0.6
73.06551	0.4
75.04505	0.4
79.05495	5.0
81.06628	0.8
81.07064	10.4
83.04969	1.5
83.08621	42.7
84.08965	0.7
85.10191	5.5
93.07050	5.8
95.08611	7.0
97.06550	4.4
97.10172	30.7
98.10512	0.5
99.08099	0.8
101.05985	0.9
106.16471	0.5
107.08605	4.1
109.10158	3.8
111.04456	0.7
111.08083	1.8
111.11725	9.8
121.10152	6.1
123.11694	1.9
125.09646	2.5
125.13255	2.5
135.04414	1.5
135.11678	4.5
137.13248	0.7
139.11192	1.1
139.14795	0.5
149.13266	3.0
153.12758	0.9
161.09616	0.8
163.14879	0.8
177.16409	0.8
209.11716	2.3
219.21115	2.0
237.11180	2.6
237.22180	0.9
255.12346	0.7
298.61450	0.5
311.25809	100.0
312.11734	0.5
312.26096	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.96055	1.0
50.96612	1.0
53.03938	1.8
53.65879	1.0
55.05513	42.4
55.05782	2.3
57.03436	17.0
57.07076	20.2
66.30737	1.2
67.05507	12.3
69.07068	46.3
71.08626	12.4
79.05480	6.4
81.07057	15.5
83.04965	1.9
83.08620	38.1
85.06516	1.4
85.10177	2.2
93.07053	8.5
95.08613	11.1
97.06519	4.5
97.10172	27.5
107.08591	5.5
109.10141	5.4
111.04449	2.2
111.08076	3.2
111.11703	6.0
113.85589	1.2
115.07404	1.4
121.10142	8.2
125.09634	2.1
125.13275	1.5
134.72011	1.2
135.03452	1.2
135.04395	5.4
135.11690	8.0
137.13269	1.3
149.13239	3.1
153.05450	2.0
162.87442	1.2
181.05025	1.7
209.11726	9.3
219.21066	2.9
229.08305	1.5
237.11223	6.9
237.22310	1.2
255.12198	1.9
311.25797	100.0
312.11542	1.4
312.26068	5.3
312.29303	1.9
312.32565	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27655	0.7
52.51484	0.7
53.03937	1.0
55.05512	47.9
57.03439	21.0
57.07076	26.5
67.05502	7.9
69.07069	54.7
71.04990	0.9
71.08636	13.7
79.05502	5.8
81.07057	10.5
83.04969	2.8
83.08619	45.2
85.10204	5.4
91.05469	1.1
93.07050	8.0
95.08604	8.9
97.06539	5.0
97.10172	31.0
99.08100	1.2
101.06007	1.1
107.08585	5.5
109.10115	3.9
111.04446	1.7
111.08086	2.7
111.11714	9.5
121.10131	6.9
123.11697	1.5
125.13243	2.8
135.04417	3.8
135.11682	5.7
137.13205	1.1
139.11165	1.4
149.13226	1.9
153.05463	1.1
161.09615	1.9
163.14792	1.2
167.14302	0.9
181.12372	1.0
191.10657	1.3
209.11688	6.3
219.21136	1.4
237.11180	6.0
237.22047	1.0
255.12265	1.0
264.67215	0.8
270.53174	1.0
279.11923	0.8
284.78879	1.1
285.33282	0.8
285.59854	0.8
293.34509	0.8
311.25787	100.0
312.26111	5.8
312.32642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03947	2.1
54.61046	1.6
55.01862	5.4
55.05260	2.9
55.05513	46.5
57.03438	13.0
57.07079	12.7
59.05001	2.2
60.48964	1.5
67.05166	3.8
67.05507	65.2
67.05865	4.1
69.03430	2.8
69.07067	76.7
69.40179	4.8
69.76811	1.9
71.04989	8.3
71.08605	4.2
73.06523	3.8
77.00082	1.7
79.05498	32.4
81.07057	88.0
83.04976	10.4
83.08610	19.1
85.06535	6.2
85.10181	8.8
91.05486	13.3
93.07047	52.5
94.00678	1.8
95.04955	2.5
95.08610	72.1
95.09217	3.9
97.06537	15.6
97.10165	23.0
99.08121	4.8
100.42419	1.6
105.07027	7.8
105.85395	1.6
107.08595	19.8
109.06496	2.0
109.10152	25.7
111.08071	4.3
111.11703	9.2
113.09648	8.1
117.07014	2.8
119.08572	6.9
121.10149	46.6
123.11719	16.1
131.08565	6.8
133.10129	7.2
135.04457	3.8
135.11687	13.5
137.13252	6.5
139.11180	22.8
145.10130	2.5
147.11684	2.7
149.09625	5.3
149.13239	8.0
151.11159	3.5
151.72191	1.7
159.11716	4.3
161.13268	3.3
163.14809	2.6
167.14294	3.6
173.13264	2.7
177.70398	1.9
187.13283	5.4
187.14825	2.1
195.13875	3.2
205.15990	1.9
205.97017	2.0
209.11740	3.6
209.15227	1.9
217.14371	7.5
219.21083	2.0
223.16939	2.5
237.11319	2.5
237.22234	1.8
243.21075	7.3
261.22107	26.1
279.23190	100.0
280.23547	7.0
293.24744	3.6
295.03912	1.7
311.25793	60.7
312.26163	5.5
312.32562	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	312.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
53.34165	1.2
55.01876	2.6
57.03443	6.2
59.04992	1.8
61.02925	11.4
69.03432	27.7
70.68539	1.5
71.04997	3.0
73.02918	8.5
81.03417	20.8
85.02908	98.8
86.03262	1.7
87.04475	25.3
91.03963	7.7
97.02895	33.8
97.06538	3.4
98.23431	1.2
99.04459	7.6
101.02392	1.7
102.44484	1.1
106.06541	1.8
109.02882	18.8
115.03935	100.0
115.07581	3.0
127.03921	53.1
133.03972	1.6
133.04971	41.4
145.04965	78.8
162.12787	1.6
163.06027	14.3
182.11806	3.1
187.06119	1.2
189.04759	1.1
241.07002	1.5
259.08148	19.7
269.20886	1.2
276.15997	1.9
277.09207	22.3
294.17020	5.1
312.18073	27.0
312.21637	1.6
313.08945	1.7
313.18427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01874	3.7
57.02448	1.4
57.03436	6.6
59.38351	1.2
61.02929	9.2
64.82339	1.4
69.03429	29.9
69.22408	4.8
69.22809	2.6
70.06602	6.6
71.04996	2.4
73.02914	8.4
81.03426	18.1
83.01396	1.6
85.02904	87.4
87.04470	23.2
91.03977	7.9
94.94122	1.3
95.56813	1.3
96.94905	1.2
97.02894	36.5
97.03486	2.7
98.22619	1.4
99.04464	4.7
99.60361	1.2
101.02348	2.3
101.20364	1.2
108.61920	1.2
109.02882	20.1
110.07177	4.6
115.03932	100.0
116.04263	1.7
127.03920	47.6
133.04964	40.0
138.05524	1.6
145.04958	66.4
147.57722	1.4
157.63684	1.4
163.06018	12.0
168.10181	1.6
182.11850	1.5
198.11311	1.5
246.81053	1.3
259.08163	18.7
277.09207	25.2
294.17007	8.9
312.12518	2.1
312.14868	2.0
312.18091	41.8
312.21475	3.6
330.22614	1.5
333.91571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23028	0.2
67.05499	0.3
77.03921	0.4
79.05495	4.3
79.83641	0.3
81.07047	0.3
91.05498	0.5
92.06253	0.3
95.04968	1.2
98.97603	0.3
103.05471	3.9
105.03411	0.5
105.07031	32.0
106.07367	0.8
107.04918	0.3
117.03370	0.2
117.34545	0.3
118.04182	0.5
119.04931	1.6
120.05689	1.3
121.06498	0.3
131.04895	0.3
132.05687	2.7
133.02875	1.1
133.06519	1.8
135.04424	0.3
135.08047	0.4
146.03600	0.3
147.04430	1.1
148.05182	8.2
150.06761	2.0
160.05209	2.8
161.05975	0.6
163.07545	20.7
164.07877	0.9
165.09087	0.8
171.11731	0.3
176.04701	3.3
191.07027	100.0
192.07346	3.0
238.08803	0.2
312.15918	30.3
313.16083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1595
Annotation	Manibacanine
Peak:m/z	Relative Intensity
50.01603	0.2
53.03947	0.3
59.08738	0.2
67.05477	0.2
79.05496	3.9
91.05484	0.8
92.06261	0.3
93.07037	0.2
95.04961	1.0
95.08624	0.2
95.74107	0.2
98.97599	0.2
103.05466	3.5
103.06112	0.4
105.03427	0.5
105.04530	0.5
105.07031	28.0
106.07362	0.8
107.04934	0.3
115.05469	0.3
117.03332	0.2
118.04141	0.6
119.04939	1.3
120.05729	1.2
120.06474	0.2
130.04192	0.2
132.05717	2.1
133.02859	0.9
133.06500	1.5
135.04440	0.3
135.08063	0.5
135.36061	0.2
146.03667	0.3
147.04388	1.1
148.05197	7.6
150.06758	1.8
160.05205	2.4
161.05943	0.6
163.07542	19.9
164.07915	0.4
165.09103	0.7
176.04686	3.0
191.07030	100.0
192.07375	3.3
210.09222	0.2
213.41508	0.2
226.80339	0.2
236.10663	0.3
238.08589	0.4
252.10201	0.4
253.11063	0.3
256.09625	0.4
265.17520	0.2
279.08871	0.4
286.23059	0.2
294.11145	0.4
312.12360	2.0
312.15894	29.1
313.16287	1.5
315.41904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79449	0.5
55.05513	5.0
55.74365	0.5
56.05848	0.8
56.98560	0.4
57.03430	1.1
57.07058	2.3
58.06608	0.6
58.39189	0.5
59.05014	0.7
62.06085	2.0
67.05516	2.8
69.07071	4.8
69.61442	1.9
70.06602	1.0
70.07382	0.7
71.08631	1.0
74.06091	0.7
74.74816	0.5
79.05480	0.8
81.07052	1.8
83.08621	3.2
84.08936	0.9
85.10183	0.6
91.05487	0.7
93.07041	0.7
94.07441	0.5
95.08601	1.5
96.08929	0.7
97.06525	0.6
97.10175	1.7
98.22793	1.0
109.10175	1.4
112.08292	0.6
135.04422	0.8
135.11642	0.5
137.13249	0.5
161.05984	0.7
175.07568	0.9
181.04980	0.9
189.09155	0.6
204.09415	0.5
209.11630	0.6
209.13470	0.7
210.12090	0.7
211.11189	1.9
221.09589	0.8
222.10374	3.9
223.11150	1.7
226.13564	1.7
236.11945	1.5
237.12775	5.8
238.13489	3.0
239.10664	9.0
239.14267	1.1
240.11159	0.8
241.15848	0.6
249.09279	1.0
250.09866	1.1
251.10701	0.7
251.14343	1.4
252.08017	0.5
252.11299	0.5
253.12341	0.6
254.13011	15.6
255.13551	0.9
264.11542	1.9
265.12213	8.3
266.12949	8.2
267.10162	8.9
269.15356	13.7
270.15649	0.7
279.13797	9.7
280.14606	3.1
281.11734	11.5
281.14758	0.8
282.12500	39.8
283.12952	2.7
294.28067	0.9
295.13394	0.6
296.13940	0.7
297.14859	53.8
298.15167	2.6
312.17184	100.0
312.26257	4.8
312.32584	23.3
313.10843	0.6
313.14316	1.2
313.17551	7.0
313.23456	1.5
313.27350	2.1
313.32895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1805
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
51.89860	0.3
55.93008	0.3
57.86703	0.3
60.05642	1.4
61.02914	0.3
65.23538	0.3
67.05492	0.4
69.03419	1.4
69.07072	0.3
70.06589	3.9
71.04967	0.3
79.05497	0.4
79.20269	0.4
81.03401	0.4
85.02902	2.9
86.09720	0.7
87.04466	1.1
92.05006	0.4
94.06548	1.7
94.93008	0.5
95.04983	0.3
97.02880	1.4
97.06570	0.3
106.06556	2.0
109.02880	0.9
110.06046	0.5
110.07159	1.2
113.34064	0.3
115.03931	2.8
115.54385	0.3
116.07079	0.7
122.09605	0.4
124.07613	0.5
127.03916	1.1
130.09743	0.4
133.04956	1.2
136.11176	0.7
137.09586	0.6
138.05496	100.0
139.05861	2.4
141.03929	0.3
145.03354	0.3
145.04926	2.2
147.08084	0.4
152.10611	0.4
162.12782	0.9
168.10138	0.5
175.11906	4.7
176.12280	0.4
180.08800	0.4
180.13788	0.6
192.10138	0.4
248.16489	1.4
258.14987	0.4
259.08179	0.8
274.91022	0.5
275.94315	0.5
276.15930	2.0
277.09213	0.7
294.16959	5.0
312.18030	69.7
313.18384	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	312.1808
Annotation	Arg His
Peak:m/z	Relative Intensity
53.49904	0.2
53.62637	0.2
55.05504	0.2
57.44449	0.2
67.05499	0.4
69.03432	1.0
79.05473	0.3
80.04988	0.2
81.03416	0.2
81.07045	0.3
82.06586	0.2
83.07358	0.2
85.02890	0.4
85.06550	0.3
86.06082	0.2
87.04488	0.4
91.05479	0.2
93.07026	0.4
94.14823	0.2
95.04974	0.5
95.08617	0.2
96.08105	0.3
97.02857	0.2
97.06544	0.3
105.07007	0.4
106.06556	3.0
106.07220	0.3
107.08606	0.2
109.06500	0.2
111.08113	0.3
113.05990	0.2
115.03944	0.5
117.07000	0.3
119.07301	0.3
119.08627	0.2
120.08121	0.7
122.09650	0.4
123.08135	0.1
124.07586	1.1
124.11199	0.5
126.09185	0.2
127.03930	0.1
129.06990	0.2
131.08571	0.2
133.04945	0.3
133.06490	0.3
133.10153	0.2
134.09666	0.2
136.11227	1.1
137.09608	0.8
143.08507	0.2
144.39577	0.2
145.04962	0.4
145.10149	0.4
146.09645	0.3
147.08023	0.6
148.07562	0.2
148.11189	0.3
150.09201	0.2
152.10681	0.6
153.05531	0.2
159.08083	0.2
160.11307	0.2
162.12822	1.0
164.07037	0.4
164.10684	0.2
166.08630	0.5
168.10129	0.7
173.09657	0.2
174.97652	0.4
175.07558	0.5
176.08308	0.2
177.09053	0.2
178.08629	0.2
178.12296	0.2
180.10226	0.2
180.13834	0.6
181.11000	0.3
182.11707	0.2
192.10237	0.4
192.98592	0.2
193.10924	0.3
194.11685	0.2
202.08522	0.2
202.12320	0.5
203.10703	0.4
203.14438	0.2
213.12766	0.3
220.09668	0.2
221.10367	0.2
227.00783	0.4
230.15453	0.7
231.13696	0.4
234.11105	0.3
238.10756	0.2
245.01886	0.4
248.16426	2.4
252.40132	0.2
258.14850	0.5
259.13263	0.2
263.02841	0.2
270.99811	0.6
276.15976	3.0
288.21237	0.2
289.00851	2.3
294.16995	9.5
295.17325	0.4
299.44742	0.2
307.01736	0.2
312.18039	100.0
313.18381	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	312.1805
Annotation	Arg His
Peak:m/z	Relative Intensity
55.01873	0.3
55.05518	0.3
56.05027	0.2
57.03434	0.4
57.07071	0.4
59.12291	0.2
67.05503	1.3
69.03431	2.3
69.07061	0.5
69.12154	1.1
70.06593	0.3
71.04989	0.3
73.02910	0.2
75.43509	0.2
78.06826	0.2
79.05486	0.8
80.05021	0.3
81.03401	0.3
81.07059	1.0
82.06576	0.4
83.07365	0.5
84.08140	0.2
85.02906	1.6
85.06525	0.3
87.04457	0.6
88.29999	0.2
91.05485	0.5
93.07038	0.7
94.06563	0.7
95.04951	0.8
95.07365	0.3
95.08601	0.7
96.08141	0.6
97.02898	0.5
97.06539	0.4
99.04436	0.2
105.07043	0.5
106.06558	1.9
107.07364	0.8
107.08575	0.6
108.08117	0.6
109.02824	0.3
109.06565	0.2
109.08985	0.2
109.10208	0.2
110.09700	0.3
111.08073	0.4
112.07584	0.3
113.05985	0.3
114.05578	0.2
115.03937	1.4
117.07044	0.2
119.08576	0.7
119.25514	0.2
120.08116	1.0
121.06490	0.4
121.08837	0.2
121.10180	0.2
122.09638	0.5
124.07623	0.5
124.11221	0.3
125.05962	0.3
125.09621	0.2
127.03905	0.6
131.08574	0.3
133.04973	0.5
133.10097	0.3
134.09650	0.7
135.08051	0.2
135.10432	0.3
136.11220	2.1
137.09621	1.3
138.12750	0.2
139.07564	0.3
140.07054	0.6
143.08583	0.2
145.04945	1.2
145.10124	0.2
146.09624	0.3
147.08055	1.3
147.11736	0.2
148.11263	0.3
150.09154	0.5
152.07059	0.3
152.10701	0.3
152.14395	0.3
153.07814	0.3
154.12256	0.5
156.06522	0.3
159.08018	0.3
160.07536	0.2
161.09592	0.3
162.12770	0.7
164.07053	0.3
164.10709	0.3
164.14342	0.3
165.09142	0.5
166.08598	0.4
167.09430	0.7
168.10219	0.2
170.11862	0.2
173.09624	0.3
174.09126	0.2
175.07529	0.2
176.10768	0.2
176.14316	0.3
178.12312	0.2
180.10220	0.7
180.13812	0.3
181.11029	0.3
186.11264	0.4
187.14925	0.2
189.12671	0.2
192.13785	0.3
193.22890	0.2
194.11803	0.3
198.11327	0.6
200.03754	0.2
202.15913	0.4
203.14352	0.2
204.13855	0.2
204.17580	0.3
205.15906	0.7
208.13344	0.6
215.14334	0.4
220.13397	0.2
220.16913	1.1
222.14992	0.9
222.18575	0.2
230.15367	0.3
232.17065	0.8
233.15385	0.7
234.14986	0.2
236.16435	0.3
238.10727	0.2
248.16415	0.8
248.20494	0.2
250.18039	2.0
251.18513	0.2
253.80937	0.2
259.08261	0.4
261.14691	0.3
262.14368	0.2
266.13959	0.5
266.17542	1.4
266.21265	0.2
276.16183	0.3
276.19626	0.5
277.09189	0.3
280.15576	0.3
294.17010	2.0
294.20627	2.1
312.18066	100.0
312.21539	9.2
313.18442	5.3
313.21942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2169
Annotation	YM 47515
Peak:m/z	Relative Intensity
55.05502	0.6
56.05030	0.3
58.06609	0.3
61.02930	0.4
67.05508	0.6
67.13876	0.3
69.03411	1.4
69.07053	0.7
70.06591	2.0
71.21633	0.2
81.07069	0.6
82.06578	0.5
84.08141	18.8
85.02901	2.2
85.08479	0.7
86.09692	0.4
87.04469	1.6
87.08091	0.5
91.03973	0.3
93.07037	0.5
95.08598	1.2
96.08124	1.2
97.02876	0.5
99.04468	0.3
107.08559	0.4
108.08077	0.4
109.10160	0.5
110.09670	0.7
115.03926	1.4
117.65835	0.3
119.08547	0.3
122.09657	3.1
124.11222	0.8
125.09598	0.4
127.03918	0.8
131.08711	0.3
133.10121	0.5
134.09662	0.9
135.10393	0.5
136.11212	1.9
137.12029	1.4
138.12759	1.3
139.07550	0.4
145.04936	1.1
154.12270	0.5
162.12790	0.9
164.14357	8.0
165.14684	0.3
178.15900	0.2
182.11862	0.5
194.15620	0.3
220.16849	0.4
236.16576	0.4
248.20126	1.1
254.16728	0.3
266.18240	0.4
266.21201	1.2
276.19571	1.1
276.76984	0.2
294.20636	28.8
295.20947	2.0
312.21674	100.0
313.22015	7.1
327.35385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
55.05498	1.1
55.57808	0.3
56.05026	0.7
58.06594	0.5
67.05505	5.3
69.03419	0.8
69.07043	0.4
69.47157	1.2
70.06585	1.3
74.06046	0.5
77.35326	0.3
79.05502	2.4
80.05013	1.2
81.07067	2.7
82.06580	1.7
83.04986	0.6
84.08130	1.0
91.05468	1.2
93.07027	1.8
94.06574	1.1
95.07339	0.4
95.08615	1.9
96.08140	2.1
97.06516	0.4
98.22727	0.4
100.07604	0.4
105.07036	1.7
107.08587	1.5
108.08120	1.1
109.06501	0.4
109.10151	1.4
110.09676	4.9
111.08077	0.3
119.08591	0.9
120.08105	0.6
121.10105	0.8
122.09663	2.7
124.11208	1.1
125.05998	0.6
125.09634	0.6
131.08472	0.3
133.10161	0.5
134.09631	1.0
136.11212	1.1
138.09146	0.6
138.12785	0.4
142.08647	0.7
146.09557	0.4
147.11655	0.4
148.11168	0.9
150.09145	1.5
150.12793	0.6
152.10716	1.7
154.12207	0.5
155.08597	0.4
156.10194	0.3
160.11211	0.7
162.12782	0.4
164.14375	0.5
164.66917	0.3
166.12291	0.3
168.10202	1.5
170.11761	1.1
173.62204	0.3
174.12845	0.6
176.14270	0.4
178.15836	0.5
182.11794	1.8
184.13438	0.4
188.14389	0.5
192.13930	0.4
194.15482	1.1
200.12837	1.4
202.15919	1.2
208.16887	0.4
220.16978	5.5
230.18951	0.4
236.16563	0.3
248.16605	0.5
248.20152	0.6
258.18311	0.3
266.21146	0.4
276.19565	5.9
294.20642	21.4
295.20914	1.3
310.12671	0.3
312.21677	100.0
313.22009	6.1
316.32388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2166
Annotation	YM 47515
Peak:m/z	Relative Intensity
52.62258	0.3
55.01646	0.3
55.01877	1.4
55.05506	0.8
56.05033	0.5
57.03444	0.3
59.05002	2.9
67.05508	1.5
69.03431	1.2
69.07075	2.2
69.52497	1.2
70.06593	4.8
72.08160	0.5
73.06544	0.4
79.05484	0.8
80.05009	1.5
81.07045	0.7
82.06586	0.8
83.06092	0.4
84.08140	0.8
85.06555	0.5
87.04484	0.5
91.05488	0.9
93.07043	1.5
94.06583	1.0
95.08618	0.5
96.08109	0.8
97.06556	1.1
99.04424	0.3
100.07611	0.4
105.07030	0.5
106.06583	0.4
107.08598	0.5
108.08151	0.6
109.10157	0.4
110.03542	0.8
110.07152	2.2
110.09684	3.0
111.08115	0.8
112.08418	0.7
113.08714	0.4
115.07580	4.0
116.07098	0.7
118.12447	0.3
119.08669	0.3
120.08118	1.2
122.09674	2.8
124.11205	1.8
125.06027	0.9
126.09123	0.4
130.06607	0.5
131.08595	0.5
133.08604	1.5
134.09648	1.0
136.11203	3.6
137.12036	0.9
148.11234	2.0
150.09123	4.0
150.10054	0.3
150.12859	0.4
156.07698	0.4
162.09135	1.0
162.12779	7.9
164.10719	0.6
168.10193	2.3
169.13342	0.6
175.11948	1.1
176.10747	1.5
180.08798	12.9
182.11723	1.9
190.15936	0.8
194.11728	2.6
197.12903	0.7
206.15393	0.3
208.16974	0.9
218.15417	0.8
220.17053	1.0
234.14847	1.6
235.15344	0.5
236.16454	39.8
237.16902	2.0
238.15909	0.4
238.18155	0.4
242.52151	0.3
248.16428	0.6
254.13939	2.6
254.17329	0.4
276.19565	10.2
277.20047	0.6
294.17285	1.0
294.20627	19.9
295.21118	1.5
312.18680	5.1
312.21741	100.0
313.18546	0.6
313.21991	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	312.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05510	1.0
56.05033	0.7
57.03444	1.6
58.06604	0.4
58.18923	0.3
59.04996	0.8
64.02424	0.3
67.05511	2.3
69.03442	1.8
69.07078	0.3
70.06587	0.7
71.05000	0.7
73.02928	0.4
79.03815	0.3
79.05482	1.2
80.05011	1.2
81.03404	0.6
81.07051	0.9
81.14027	0.3
82.06570	1.3
84.08138	0.8
85.02910	1.6
85.06561	0.4
87.04485	0.7
91.05473	0.8
93.07026	1.3
94.06577	1.8
95.08611	0.9
96.08125	1.3
97.06528	1.3
98.09699	0.3
98.23523	0.7
100.07608	1.1
105.07013	0.7
106.06547	0.8
107.08598	0.7
108.08092	0.4
109.02863	0.6
109.08913	0.4
109.10146	0.9
110.09666	2.7
111.08089	0.4
112.07601	0.4
112.11234	0.6
115.03927	1.8
119.08613	0.6
120.08135	1.6
121.10188	0.5
122.09660	1.1
123.08052	0.4
124.07523	0.5
124.11228	3.3
125.06001	0.9
126.12802	0.4
127.03916	1.2
127.11171	0.9
132.08095	0.4
133.04942	1.0
133.08865	0.3
134.09653	2.6
135.10464	0.6
136.11221	2.0
137.11989	0.4
138.09129	0.4
138.43954	0.3
140.10698	0.4
145.04999	1.4
145.10078	0.3
146.09644	1.1
147.11702	0.3
148.11209	3.0
149.12045	0.4
150.09132	1.0
150.12825	0.9
151.03848	0.4
152.06316	0.3
156.89995	0.3
160.11223	2.5
161.11954	0.5
162.12781	5.8
163.05925	0.3
163.13443	0.5
164.14317	0.7
168.10181	0.4
174.12801	0.6
176.14438	0.4
182.11798	0.8
182.15367	0.6
188.14320	1.3
190.15889	0.7
194.15364	0.4
202.15849	0.7
206.15425	1.3
216.13853	0.5
218.15318	0.4
220.13397	0.5
220.16956	8.9
221.17412	0.5
234.14853	3.1
236.16418	4.8
248.20027	0.4
254.17566	3.4
258.18365	0.4
259.08112	0.3
276.19690	1.9
277.09055	0.4
294.20642	17.7
295.20895	1.1
312.18430	4.2
312.21664	100.0
313.21973	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	312.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
56.05027	0.6
59.78598	0.3
64.82786	0.3
66.21379	0.3
67.05489	1.0
69.03425	1.0
69.12150	1.7
69.12566	0.7
70.04227	0.4
70.06588	1.3
71.04996	0.4
79.05484	1.4
80.05010	0.3
81.07045	1.4
82.06579	0.3
84.08144	0.8
91.05465	0.7
93.07030	1.1
94.06554	0.5
95.08617	1.0
96.08105	1.1
105.07024	0.8
107.08593	1.0
110.07158	0.4
110.09662	1.2
111.08050	0.5
119.08556	0.7
120.08087	0.5
121.10131	0.5
122.09625	0.8
124.11225	0.4
125.06005	0.4
131.08522	0.5
133.10115	0.8
134.09674	1.5
136.11201	1.3
138.08948	0.3
145.10126	0.9
146.09634	0.8
148.11209	0.6
154.12234	0.5
160.11227	1.6
162.12784	2.0
164.14340	0.8
174.12723	0.5
176.14267	0.5
178.15948	0.4
182.11572	0.3
188.14342	1.1
190.15941	0.8
192.13765	0.4
194.15431	0.9
200.68129	0.4
202.15875	1.2
208.16972	1.2
216.13849	0.7
218.15453	0.4
218.50908	0.4
220.16959	15.5
221.17439	0.7
224.19986	0.6
234.14839	1.9
236.16441	3.0
248.20209	0.3
254.17476	1.2
258.18555	0.6
266.21106	1.4
276.19595	4.4
277.06265	0.3
292.18808	0.4
294.20636	30.2
295.20923	1.9
306.47202	0.3
312.21674	100.0
313.22052	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	312.2169
Annotation	YM 47515
Peak:m/z	Relative Intensity
55.01828	0.7
55.05469	0.9
55.05704	0.2
56.05003	0.5
57.03395	0.4
57.43731	0.2
58.06549	0.6
64.00224	0.2
65.03915	0.3
65.05466	0.2
67.05502	5.7
67.05834	0.3
68.05006	0.2
69.03371	0.9
69.07018	0.4
69.70944	0.4
70.06585	1.3
71.04946	0.5
72.08092	0.3
79.05481	1.7
79.23190	0.2
80.05011	1.0
81.07056	2.5
82.06576	1.0
83.04917	0.6
84.08152	1.2
85.02853	0.3
86.80219	0.2
87.04427	0.2
91.05471	1.3
93.07052	1.5
94.06509	0.9
95.04909	0.2
95.08594	1.7
96.08120	1.7
97.06499	0.4
98.09647	0.4
99.04415	0.2
100.07554	0.5
105.07019	1.1
106.06544	0.2
107.08577	1.6
108.08051	0.9
108.08752	0.2
109.06463	0.3
109.08876	0.4
109.10168	1.5
110.05996	0.3
110.07086	0.7
110.09671	2.6
111.08039	0.3
112.07579	0.2
114.09097	0.3
115.03886	0.2
119.08562	1.0
120.08059	0.5
121.10085	0.7
122.09677	1.8
124.07529	0.4
124.11194	0.6
125.05907	0.8
125.09628	1.3
126.09093	0.4
131.08519	0.6
132.08022	0.3
133.10074	0.7
134.09657	1.0
135.11618	0.2
136.11197	1.1
138.09012	0.3
138.12833	0.2
142.08571	0.7
143.08553	0.3
145.10101	0.5
146.09587	0.5
147.11641	0.3
148.11121	0.9
150.09126	1.9
150.12775	0.5
152.10625	0.7
154.12212	0.7
154.70865	0.2
156.10176	0.3
160.11206	0.6
162.09079	0.4
162.12709	0.6
164.10683	0.2
164.14328	0.6
166.03111	0.2
168.10161	1.8
170.11757	0.3
174.12727	0.7
176.14308	0.7
182.11760	2.6
184.13342	1.3
188.14297	0.6
192.13757	0.4
194.15361	1.1
200.12787	1.1
202.15851	1.2
206.15338	0.8
208.13261	0.6
208.16913	0.3
220.16954	12.5
221.17166	0.6
224.20107	0.5
234.14842	0.6
236.16431	0.9
240.12128	0.3
248.16508	0.7
248.20105	0.3
258.18512	0.3
266.18500	0.2
266.21228	0.6
276.19592	4.3
277.19940	0.3
292.19131	0.2
294.20630	28.0
295.20947	1.6
312.21667	100.0
313.16205	0.4
313.21997	6.5
333.30933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2169
Annotation	YM 47515
Peak:m/z	Relative Intensity
55.01865	1.0
55.05504	1.2
56.05038	0.6
57.03439	1.8
59.05001	0.5
61.98091	0.3
62.19492	0.4
62.55811	0.3
63.93737	0.3
67.05502	2.2
69.03431	1.0
69.07063	0.4
70.06592	0.6
71.04975	0.5
72.08173	0.8
79.05091	0.4
79.05492	2.3
80.05013	0.8
81.07047	1.3
82.06583	1.8
84.08150	0.8
91.05461	0.9
93.07017	1.8
94.06569	2.2
95.08591	0.5
96.08127	1.4
97.06532	1.3
97.08924	0.4
98.23518	0.9
100.07613	0.8
105.07009	0.7
107.08601	1.1
109.10126	0.5
110.09669	3.4
111.08086	0.7
112.07671	0.4
112.11218	0.7
119.08566	0.5
120.08088	1.2
121.10172	0.4
122.09653	1.9
124.07624	0.4
124.11215	3.3
125.05986	1.1
127.11131	1.0
131.08560	0.5
132.08076	0.7
134.09666	3.2
135.10422	0.4
136.11263	1.8
138.12787	0.4
140.10706	0.5
146.09631	0.9
148.11179	2.3
149.11992	1.0
150.09111	1.4
150.12779	1.1
160.11174	2.7
162.12769	7.1
163.13527	0.9
168.10127	0.8
174.12706	0.5
178.12267	0.4
181.04968	1.0
182.11794	0.9
182.15376	0.4
188.14395	1.9
190.16064	0.7
194.15462	0.4
202.15828	0.8
206.15390	0.9
208.17099	0.5
218.15404	0.7
220.16945	8.3
234.14862	3.6
236.16449	4.8
254.17513	2.9
258.18472	0.6
274.19702	0.4
276.19577	1.8
294.20642	17.4
295.20892	0.9
312.21674	100.0
313.21951	5.4
320.24515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05508	2.2
56.05003	1.4
56.14642	0.3
59.04977	0.4
67.05522	1.9
69.03413	0.4
69.07069	1.9
70.06611	1.8
70.52662	0.4
70.53002	0.5
72.08158	0.4
79.05449	1.3
81.07063	2.9
82.06545	0.4
82.14306	0.4
83.08543	0.5
84.08104	1.1
91.05461	0.9
93.07050	2.0
95.04913	0.4
95.08602	2.5
96.08090	1.5
97.06457	0.5
97.08879	0.4
97.10149	0.5
98.09703	0.3
105.07018	0.6
107.08553	1.3
108.08161	0.4
109.10104	1.2
110.09664	1.8
119.08530	1.0
121.10094	0.6
122.09634	0.8
124.11208	0.5
125.05960	0.5
126.12742	0.9
133.10083	0.9
135.11617	0.4
136.11205	1.1
138.12770	0.6
140.14308	1.4
141.99597	0.3
147.11652	0.5
150.12718	1.0
152.10680	0.4
161.13173	0.4
163.14854	0.3
164.14307	1.3
178.15869	0.5
180.17427	2.1
181.04883	0.9
198.14832	0.4
199.65332	0.5
206.19043	41.2
207.19365	2.2
223.89705	0.4
234.22316	0.4
244.50789	0.3
252.23280	0.5
262.21573	0.5
266.21127	0.4
280.22708	11.4
281.22995	0.6
294.24271	45.8
295.24622	2.7
312.25320	100.0
313.25638	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	312.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77466	3.0
55.01888	4.6
55.05518	35.6
56.05033	13.3
57.07080	16.3
58.02960	5.7
60.04525	3.9
61.67236	2.7
67.05508	28.1
68.05038	10.6
69.07074	42.3
70.06601	4.8
71.08641	10.2
71.45566	3.1
72.04524	5.0
72.08157	3.9
79.05485	21.2
80.05023	4.3
81.03432	2.9
81.07078	29.9
82.06602	8.6
83.08614	21.2
84.08162	3.1
86.06078	70.3
91.05471	16.0
91.16997	3.2
93.07041	17.3
94.06571	8.4
94.66741	2.9
95.04962	6.8
95.08611	33.5
97.06527	3.8
97.10195	12.4
98.97594	5.4
100.07618	4.8
105.07065	14.2
107.08615	6.7
108.08115	3.4
109.10172	19.0
112.08428	3.0
119.08622	9.8
121.10159	7.5
121.75957	2.7
122.58059	2.8
123.11719	4.5
124.22874	2.8
133.10175	7.6
147.11716	6.8
149.13301	3.5
161.13165	4.1
181.04939	6.0
210.12148	5.1
217.35986	3.4
227.74014	3.1
238.11664	8.9
259.24280	3.9
264.26923	5.3
266.22015	3.6
276.26993	6.8
294.21405	4.4
294.27942	100.0
295.22717	4.8
295.28275	7.0
312.11392	9.7
312.15561	5.6
312.22150	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	313.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
52.33862	0.9
53.03942	3.1
60.04521	7.9
67.05512	1.3
68.69650	0.8
70.16084	1.8
70.16440	1.0
71.08620	1.0
71.75372	0.9
72.04519	5.2
77.03922	3.1
81.07065	1.0
81.79289	0.7
86.90885	0.7
93.07088	0.9
94.93035	0.8
95.04964	12.2
95.08613	1.4
96.92248	0.9
98.97573	4.7
102.04689	1.1
103.05440	1.2
105.03395	100.0
105.04411	6.6
106.03722	1.8
116.98622	2.6
118.04185	1.2
131.04965	1.9
134.99683	0.8
148.05249	0.9
156.70226	0.8
165.63620	0.7
176.04669	1.3
191.07033	10.2
208.42130	0.7
229.10172	0.7
238.08948	0.9
279.23120	1.2
290.94812	1.8
296.25928	1.3
306.13980	0.7
313.10641	1.8
313.21915	1.0
314.14066	1.4
314.27057	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	313.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
52.33862	0.9
53.03942	3.1
60.04521	7.9
67.05512	1.3
68.69650	0.8
70.16084	1.8
70.16440	1.0
71.08620	1.0
71.75372	0.9
72.04519	5.2
77.03922	3.1
81.07065	1.0
81.79289	0.7
86.90885	0.7
93.07088	0.9
94.93035	0.8
95.04964	12.2
95.08613	1.4
96.92248	0.9
98.97573	4.7
102.04689	1.1
103.05440	1.2
105.03395	100.0
105.04411	6.6
106.03722	1.8
116.98622	2.6
118.04185	1.2
131.04965	1.9
134.99683	0.8
148.05249	0.9
156.70226	0.8
165.63620	0.7
176.04669	1.3
191.07033	10.2
208.42130	0.7
229.10172	0.7
238.08948	0.9
279.23120	1.2
290.94812	1.8
296.25928	1.3
306.13980	0.7
313.10641	1.8
313.21915	1.0
314.14066	1.4
314.27057	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	313.1072
Annotation	Baicalein 5,6,7-trimethyl ether
Peak:m/z	Relative Intensity
55.05515	4.5
57.03423	2.2
57.07080	6.0
60.32882	0.6
62.06072	1.7
64.61674	0.5
67.05502	4.1
69.07068	3.7
71.08637	3.5
72.68969	0.6
79.05515	0.8
80.94832	0.6
81.07076	3.3
82.07363	0.6
83.08642	2.8
85.10181	2.0
91.03848	0.5
91.05474	0.8
95.04967	1.4
95.08590	3.1
97.10151	1.3
98.97585	1.0
105.03389	13.7
105.04503	1.3
109.10172	2.5
116.98611	0.7
121.64375	0.6
123.11674	0.6
133.06483	0.9
135.04396	1.6
138.03154	0.9
175.07532	2.5
181.04919	1.5
191.07045	1.4
195.31238	0.6
243.06523	0.7
253.12399	0.8
255.06595	1.4
269.08035	1.7
270.08862	20.5
271.09186	1.6
297.07538	7.9
298.08359	20.2
298.11731	1.1
299.08780	1.3
312.29111	0.6
312.32584	18.0
313.10696	100.0
313.13974	4.4
313.23419	1.8
313.27347	12.6
313.32837	7.4
314.10980	5.6
314.13977	0.7
314.34143	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	313.2359
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.01876	1.5
55.05506	3.9
57.07075	2.1
60.04546	1.3
67.05508	9.0
69.07060	2.8
69.95374	1.8
69.95702	1.4
71.04984	2.4
71.08635	6.6
74.37564	1.0
79.05492	3.5
81.07056	6.6
83.04967	1.8
83.08624	2.8
91.05480	2.6
93.07059	5.6
95.08609	4.1
97.06532	1.5
97.10166	3.4
98.23416	1.1
98.97599	6.5
99.08101	5.4
105.06991	1.7
107.04973	1.1
107.08585	2.0
107.39288	0.9
109.10153	3.8
114.99478	0.9
116.97826	1.0
116.98648	4.9
119.08588	1.5
120.11269	1.0
121.10143	2.5
122.36660	1.2
125.09586	1.9
127.11230	1.3
129.99196	0.9
133.10104	1.5
134.99663	2.1
135.11678	2.6
138.98795	0.9
141.12740	8.3
144.37619	0.9
145.10179	1.6
149.13272	1.0
151.11102	1.0
159.53227	1.0
161.13293	2.2
163.11179	2.1
169.12224	3.3
189.11229	3.3
209.88707	1.2
225.25705	1.0
277.21667	9.6
290.94687	4.8
295.22662	17.0
296.22855	1.5
302.60684	1.0
308.95352	1.0
313.10739	3.1
313.23489	100.0
314.23792	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01882	22.5
55.05512	48.5
57.03423	8.6
57.07074	9.8
60.04514	15.5
67.05505	84.6
67.05859	4.8
69.03443	6.4
69.07072	40.9
69.23824	22.3
71.05011	6.3
71.08625	27.7
79.05502	46.0
81.03421	7.1
81.07061	100.0
82.05037	4.6
83.04968	13.2
83.08623	32.8
85.06517	9.4
91.05476	36.4
93.07053	53.6
95.04984	17.4
95.08614	51.9
97.06517	22.5
97.10163	12.6
98.97595	23.4
99.08105	25.3
105.07047	32.6
107.08591	41.1
109.06503	10.8
109.10178	34.2
111.08086	23.6
113.09613	3.9
116.98610	15.8
117.07023	10.5
119.08580	21.8
121.10150	21.0
122.06062	6.4
123.08096	6.7
123.11700	10.9
125.09618	16.6
131.08617	9.7
133.10144	28.5
134.99632	8.2
135.11682	18.3
137.09543	6.1
139.11179	14.6
143.08623	4.9
145.10185	5.2
147.11665	22.2
149.09669	7.4
149.13246	32.3
149.44818	4.3
151.11191	15.9
153.12793	4.4
159.11655	12.8
161.13211	8.9
163.11111	4.3
165.12788	17.9
173.11743	23.4
173.13286	9.1
177.12762	6.9
179.10710	4.5
179.14317	7.6
181.12259	6.6
189.11195	7.0
195.13843	33.2
213.14839	8.5
231.21040	5.9
232.16852	5.0
241.19556	8.6
249.22224	10.8
253.08441	35.4
259.20618	12.1
277.21631	86.2
290.94653	16.9
295.22733	44.0
296.14380	8.4
313.10672	13.6
313.19888	4.8
313.25430	83.9
314.15186	24.5
314.26556	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	313.2375
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
52.71905	0.9
55.01875	1.4
55.05514	11.8
57.03438	3.5
57.07084	1.5
59.05005	4.6
65.03931	1.2
67.05506	100.0
68.05857	1.5
69.03455	1.0
69.07066	6.7
70.15028	1.9
71.04993	4.7
73.06554	3.3
79.05490	4.6
81.07058	24.5
83.08625	8.9
85.06540	3.4
87.04468	1.0
91.05489	7.4
93.07032	6.7
95.04942	0.8
95.08613	24.3
97.06588	0.8
97.10189	2.8
98.97610	2.4
99.08100	1.3
101.05981	0.8
105.07054	1.2
107.08607	3.4
109.10159	89.0
110.10505	2.3
111.08096	3.2
116.33193	1.0
119.08580	8.1
121.10150	4.5
123.11706	4.6
130.31560	0.8
135.11713	3.5
137.09616	4.6
137.13246	1.8
139.11266	1.2
147.11754	1.3
149.13234	2.6
155.10667	13.8
158.17479	0.9
163.14925	1.0
173.11734	41.4
174.12109	1.0
175.03938	2.0
175.14790	1.1
177.16406	1.7
183.13759	1.6
184.18814	0.8
187.03871	1.1
231.21080	1.9
243.10202	0.9
249.22151	10.5
251.24611	1.0
267.23193	46.0
268.23544	1.7
277.21631	1.8
284.07751	1.0
287.52225	1.0
295.13245	1.3
295.22723	7.7
313.23718	22.9
313.27209	1.4
314.24002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.03948	2.4
55.01860	1.6
55.05516	10.0
55.13704	1.1
55.78089	1.1
56.96559	1.5
57.03467	1.1
57.07070	3.2
59.53045	1.2
60.04527	9.3
67.05506	17.0
69.03437	1.6
69.07072	9.6
69.83247	1.5
69.83588	2.8
71.04984	5.4
71.08632	17.1
72.04523	4.4
79.05481	9.5
80.52832	1.0
81.03416	5.3
81.07056	13.9
82.07400	1.3
83.04993	2.1
83.08627	3.6
91.05486	4.7
93.07052	11.6
95.04955	9.8
95.08605	17.1
97.06528	3.2
97.10159	2.3
98.97572	6.5
99.08105	11.3
105.03366	5.7
105.07012	2.9
107.08591	7.1
109.06579	1.1
109.10162	8.7
113.09649	4.8
116.98621	6.2
119.08581	4.3
120.76976	1.1
121.10155	4.4
123.11623	1.2
127.11179	1.4
131.04921	1.6
133.10147	3.0
134.99669	1.5
135.11703	3.4
137.09581	6.6
139.11148	2.1
141.09070	2.2
145.10202	1.3
149.13274	2.2
151.11195	10.8
154.93477	1.3
161.13301	1.4
163.11232	1.4
179.14314	3.2
193.39906	1.3
221.15335	2.4
227.12915	1.5
232.83243	1.3
249.22134	1.5
253.08263	1.3
277.18591	1.9
277.21622	39.2
278.21924	1.6
279.23120	2.0
289.95020	1.3
290.94809	4.0
295.22672	100.0
296.22961	6.4
296.26013	1.5
313.10587	6.7
313.20090	1.7
314.26843	3.8
314.30557	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05292	0.7
55.05511	7.0
57.03437	15.4
57.07075	50.3
58.07403	0.9
60.08161	2.8
67.05504	9.4
69.07071	9.5
69.30872	1.2
69.31273	3.0
70.06567	0.7
71.08630	34.0
77.71641	0.6
79.05486	0.7
81.07056	13.7
83.08617	9.3
85.10181	18.7
89.06010	2.3
93.07046	1.6
95.08023	1.3
95.08604	18.3
97.10171	4.5
98.97596	3.1
99.11739	0.9
103.07609	1.3
107.08575	0.9
109.10153	9.2
115.15734	0.6
116.98618	2.2
123.11714	3.5
136.06172	2.7
137.13257	2.3
221.22614	0.8
239.23659	4.5
257.24765	5.5
279.23212	0.8
283.95322	0.6
290.94684	1.3
298.10825	0.7
298.27426	0.9
313.27359	100.0
313.36478	13.6
314.13812	0.8
314.27750	6.8
314.34076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55715	0.4
55.05511	7.6
57.03443	16.4
57.03731	0.8
57.07079	50.6
58.07399	0.5
67.05508	11.8
67.81994	0.5
68.72417	0.5
69.07070	10.2
71.04993	0.8
71.08635	36.0
72.08970	0.8
75.04475	0.9
79.05482	0.7
81.07061	14.5
83.04997	0.7
83.08627	10.7
85.06559	0.8
85.10186	19.0
87.04458	0.5
89.06033	3.6
91.05505	1.3
93.07050	3.9
95.08614	22.1
97.06582	0.4
97.10184	5.3
98.23502	1.1
99.11746	1.2
101.39191	0.5
103.07579	1.8
105.07046	2.0
107.08600	2.2
109.10163	10.3
111.08112	0.5
111.11727	1.1
116.98640	0.7
117.09108	0.6
119.08593	1.3
121.10153	1.2
123.08073	0.6
123.11707	4.8
124.12139	0.4
125.09652	0.6
125.13267	1.0
129.08989	0.4
131.08577	0.5
133.10208	0.5
135.11696	1.9
137.13258	2.0
145.10109	0.9
147.11655	0.6
149.13275	0.6
151.95284	0.4
157.10220	0.6
159.11723	0.8
161.13286	0.6
165.16426	0.6
173.13290	0.4
175.14812	0.5
185.13297	0.5
187.14819	0.5
221.22623	0.5
239.23672	4.8
257.24747	5.3
289.94580	0.4
295.24088	0.8
298.27444	1.0
313.27402	100.0
314.13751	0.9
314.27750	6.8
314.34140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31402	0.9
55.05518	6.1
57.03438	18.1
57.07076	56.2
58.07397	1.3
62.06087	1.2
67.05512	10.6
69.07075	10.3
71.08631	36.5
75.02711	1.0
81.07045	15.5
83.08628	10.6
85.10180	16.0
89.06021	3.1
95.08604	18.9
96.92173	1.4
97.10179	5.2
98.97587	5.3
99.11676	1.1
103.07579	3.0
109.10169	9.1
109.96123	1.1
116.98624	3.8
123.11713	3.1
125.13235	1.1
134.99666	1.7
136.06154	6.3
137.13249	1.3
144.94177	1.1
154.53857	1.1
203.39806	1.1
221.22636	1.1
239.23717	5.1
257.24741	6.6
272.56595	1.2
290.94751	4.4
295.34738	1.2
308.96027	1.4
313.27371	100.0
314.13770	2.5
314.27994	6.2
314.34073	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38332	0.8
55.05514	6.3
57.03439	17.5
57.07077	50.6
58.51935	0.8
67.05504	10.9
68.70469	0.7
69.07060	10.1
69.46196	2.2
69.46613	1.5
71.08633	33.1
72.08940	0.7
73.84027	0.7
79.05523	1.5
81.07059	13.2
83.08619	9.6
85.06542	1.4
85.10183	15.8
88.57842	0.8
89.06049	2.9
93.07049	1.7
95.08613	18.2
97.10194	5.7
98.97563	0.8
99.11710	1.1
103.07573	1.4
107.08572	0.8
109.10153	8.8
113.18903	0.9
117.09078	1.1
123.11729	4.6
137.13289	1.7
239.23741	3.0
243.63452	0.8
257.24854	4.8
279.05984	0.8
313.27386	100.0
313.36719	2.5
314.13675	1.1
314.27637	7.2
314.33871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36616	0.9
56.96568	2.8
58.99881	3.1
66.49456	1.1
68.98308	2.2
69.03435	3.8
69.07066	2.7
69.67164	1.9
69.67525	2.2
70.06601	1.9
72.08156	1.7
77.00910	1.5
83.05022	1.0
84.08132	1.4
86.09706	100.0
86.99355	2.1
87.10085	1.7
88.13769	1.0
97.06538	3.0
98.22775	2.1
98.97601	4.5
107.56099	1.1
108.08121	8.8
111.02937	1.2
111.08083	4.0
112.02508	2.6
116.98648	1.7
123.06877	1.0
124.06071	1.4
124.07632	1.3
124.11233	1.3
126.07669	2.2
127.02464	1.8
128.05609	1.8
129.03992	5.1
130.03545	2.2
131.05579	1.4
132.10222	1.3
136.07614	2.1
142.07152	15.0
144.05083	1.2
144.08720	8.0
145.03477	10.5
146.08142	1.3
147.05025	9.4
152.05966	1.3
152.06995	5.9
154.03552	1.1
154.07124	6.8
155.05573	1.5
156.05092	1.5
157.03484	4.8
158.99924	2.1
160.08192	18.9
161.08420	1.3
162.09747	8.1
163.04504	5.6
165.06172	4.6
172.04572	13.1
172.08188	57.6
173.02728	1.0
173.06618	3.7
173.08188	2.0
175.04611	2.7
177.00932	11.6
182.99936	2.2
190.05609	15.5
190.09230	27.6
190.10799	1.9
191.05917	1.3
191.07724	2.3
191.09511	2.9
194.10292	1.8
196.11917	2.5
200.11295	1.6
201.01006	5.2
203.02533	11.3
208.10287	25.5
209.10510	1.5
212.11336	13.2
214.12862	8.6
216.14500	1.2
218.98653	3.0
219.01976	45.7
220.02171	4.0
224.11292	14.9
225.09732	1.7
225.11789	1.5
230.12421	4.8
232.14009	4.1
236.99556	2.9
240.10768	14.3
241.11169	1.1
242.12375	12.6
244.45129	1.0
250.09338	3.5
252.10805	7.7
258.11874	38.0
259.12177	2.5
260.10703	1.4
260.13458	22.2
260.16019	1.7
261.13617	2.0
268.10324	41.7
269.10587	2.4
270.11859	12.1
284.08408	3.2
286.11356	89.0
287.08832	1.2
287.11591	7.3
287.14453	1.8
288.13000	3.8
296.09882	3.8
296.18076	1.7
304.12436	27.3
304.15869	1.7
305.12686	1.2
313.18488	2.5
314.10889	90.2
314.18829	20.9
315.11078	6.3
332.10303	31.5
333.10489	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	314.139
Annotation	Pessoine
Peak:m/z	Relative Intensity
50.20594	1.0
55.05499	1.9
56.12936	0.9
56.96552	1.7
57.07069	4.6
58.07384	1.1
58.95138	1.2
60.04524	12.8
67.05484	3.3
69.03445	1.4
69.07067	2.4
69.81494	2.5
69.81882	1.9
70.06574	1.1
71.08617	3.4
72.04140	2.4
72.04520	39.7
79.05531	1.5
80.05005	2.8
81.07027	3.4
83.01339	4.0
84.00495	1.0
85.10162	2.1
88.07605	1.5
90.05527	1.8
91.05453	2.7
93.07062	1.5
95.08593	4.5
96.72945	1.6
97.10145	1.6
98.22806	2.0
98.97596	8.8
106.06576	1.6
109.10167	2.7
116.98651	5.8
120.08089	4.2
120.83025	1.1
121.06482	6.3
123.08039	1.5
123.11682	1.9
130.06526	1.6
132.08078	1.7
132.89392	1.2
133.08896	1.6
134.99629	2.4
135.04405	1.9
139.07526	1.1
144.08090	2.2
151.07506	10.0
155.03415	2.6
156.08128	1.3
157.08829	1.5
158.09642	9.2
159.10414	2.7
167.07237	1.7
168.08084	1.2
169.08730	1.4
170.09651	2.5
171.06767	4.5
171.10417	2.4
172.07613	1.9
172.11192	2.1
182.09660	2.1
186.09142	14.6
187.09952	10.1
194.09637	2.5
195.10497	2.1
196.11142	1.2
198.09099	3.7
199.09793	3.0
208.11259	3.4
208.13155	1.3
210.12701	2.0
212.10648	2.8
222.09114	2.6
223.09949	5.6
224.07030	1.4
226.12265	3.8
227.12961	1.6
236.10643	4.6
237.11320	2.8
238.12212	14.3
242.24687	1.3
252.10269	2.4
253.10886	3.0
254.11638	5.1
254.13994	2.1
255.12439	1.9
265.59872	1.3
268.13269	3.0
268.26349	1.4
268.94086	2.5
270.14853	3.9
279.23117	6.1
280.09662	2.1
281.10437	1.5
282.10962	1.4
283.09503	1.9
286.14395	1.5
290.94656	3.9
296.12689	3.5
296.25800	4.6
298.10703	1.8
314.13794	100.0
314.26834	12.3
314.30481	2.8
315.14294	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	314.2324
Annotation	cis-4-decenoylcarnitine
Peak:m/z	Relative Intensity
53.69794	0.2
55.01866	1.1
55.05505	0.6
56.05031	0.7
57.03430	1.2
57.17794	0.3
58.46906	0.2
59.05003	1.3
62.09161	0.2
67.05500	2.1
69.03409	0.5
69.07062	2.0
69.74389	1.0
70.06586	1.2
71.04974	0.3
71.75673	0.2
79.05480	0.4
79.82051	0.3
80.05015	0.7
81.07057	1.3
82.06565	0.2
84.08125	1.0
85.06528	0.5
93.07047	0.9
94.06566	1.1
95.08595	0.9
96.08117	2.0
98.09683	1.1
98.22751	0.5
105.07014	0.4
107.06118	0.3
107.08592	0.7
108.08128	0.3
109.10126	1.8
110.09651	0.7
111.10399	0.3
120.08100	0.5
122.09653	0.9
124.11218	1.3
125.06037	1.2
127.11211	0.5
128.06136	0.3
134.09630	0.6
136.11185	2.3
138.12794	0.6
145.10065	0.3
148.11214	0.4
150.09155	1.0
150.12805	0.8
150.57338	0.3
152.10686	1.1
162.12753	0.9
164.14363	1.0
164.89731	0.3
166.15889	2.2
168.10172	0.6
170.11807	0.7
176.14311	0.5
178.15932	0.3
182.11803	0.8
184.13367	0.5
190.15929	1.0
196.16977	0.6
204.17535	1.5
204.96005	0.2
210.14941	0.8
222.18518	4.5
238.17955	0.9
265.28812	0.3
278.21136	7.1
279.21490	0.3
296.22192	21.4
297.22467	0.9
314.23227	100.0
315.23572	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	314.2691
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05512	5.9
56.05038	2.7
57.03446	0.7
57.07079	17.4
58.06603	1.3
60.04529	31.0
67.05508	10.3
68.05038	0.9
69.03428	5.1
69.07069	10.7
71.04993	1.5
71.08634	13.5
72.04519	100.0
73.04850	1.0
79.05503	2.0
81.03403	0.6
81.07060	13.7
83.04980	0.8
83.08631	5.9
83.96400	0.4
84.04508	0.8
85.06534	0.9
85.10187	5.8
86.06078	3.9
90.05559	7.5
93.07043	1.6
95.04996	0.5
95.08610	17.8
96.04508	0.6
97.02872	0.7
97.06519	0.4
97.10167	4.3
98.06081	0.4
98.84948	0.5
98.97604	1.5
99.11721	0.4
107.04961	0.6
107.08582	0.8
109.10160	7.3
111.04449	1.9
111.08069	0.4
111.11736	2.0
114.56815	0.4
116.98592	0.6
117.12034	0.4
121.10151	0.6
123.11711	3.9
125.13258	0.6
134.99733	0.5
137.13287	1.2
143.69432	0.4
193.19681	0.5
197.25496	0.4
211.20601	3.0
228.23352	0.7
243.23291	3.2
251.23795	0.8
253.21672	1.1
255.23135	0.7
266.24796	4.6
268.26349	2.8
278.24857	1.2
279.23199	33.4
280.23532	1.9
290.94806	0.8
296.25848	28.9
297.26187	1.6
314.26889	47.9
315.27158	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	314.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	0.8
55.05510	12.1
57.03424	0.5
57.07074	17.5
58.92395	0.6
60.04507	1.1
67.05512	5.0
69.07064	11.9
69.62731	2.0
71.04976	2.2
71.08634	5.8
72.04525	2.5
72.80426	0.5
73.02915	14.3
74.54340	0.5
79.05489	1.6
81.07050	21.7
83.08617	13.9
85.10179	1.0
87.04462	1.9
95.08601	19.9
97.10168	23.0
98.10445	0.7
98.97562	3.4
99.08124	0.9
101.06032	1.5
109.10154	11.8
113.09654	0.8
115.07537	0.5
116.98603	2.0
119.21372	0.5
123.11703	40.4
124.12025	0.8
137.13248	4.5
151.07489	0.6
155.03381	1.1
160.11224	0.7
193.19513	1.6
250.92873	0.6
255.23180	100.0
256.23544	6.1
271.15314	0.5
271.42480	0.5
279.23236	0.7
283.09625	0.7
290.64395	0.6
290.94846	0.6
314.13364	0.9
314.30499	86.8
315.12302	1.0
315.30881	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	315.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01849	0.8
55.05477	1.0
55.73679	0.7
56.92979	0.6
56.96560	14.2
57.03421	1.2
58.99865	11.3
60.08904	0.6
69.03429	7.2
70.18266	1.9
71.01300	2.1
71.04956	2.5
73.02880	0.7
73.06537	0.7
77.00914	3.8
81.03344	0.8
83.04958	0.8
85.02889	2.3
95.01910	1.0
97.02878	0.6
98.97568	8.4
99.04420	2.3
100.04751	0.8
101.06004	6.9
103.02425	1.1
105.00388	0.6
109.01366	1.1
110.97565	0.9
111.02900	0.8
112.92252	1.4
116.98613	4.0
117.05489	7.1
118.05790	1.9
119.01900	1.0
124.99086	0.9
127.00674	1.5
127.02371	7.8
129.03967	11.7
130.93294	15.6
134.99690	1.2
137.08099	1.3
141.02267	0.9
143.00189	2.1
145.03455	92.6
146.03545	4.1
147.03836	1.2
147.05011	20.8
148.05098	1.2
148.94325	2.9
153.05803	1.1
155.00162	3.0
155.01871	5.2
156.96556	0.9
157.03444	3.8
158.92770	2.1
161.01263	2.3
163.04512	51.6
164.04752	2.1
165.06082	9.7
169.07074	1.5
171.05006	2.0
171.08701	1.8
172.94348	23.2
173.01262	6.6
173.02979	23.0
173.04408	1.1
173.06561	0.9
174.03026	1.0
174.97626	5.8
175.04486	5.3
176.97476	1.0
177.00949	9.9
178.00893	1.0
179.05542	1.4
181.04994	1.2
181.07211	0.8
182.96451	1.5
182.99866	1.0
187.08122	0.7
189.00711	3.6
189.06114	1.0
189.09727	2.6
190.95384	24.1
191.02319	4.8
191.03986	52.7
192.04152	2.0
192.98743	4.2
193.05698	1.2
197.06581	13.7
198.95940	2.5
199.04568	0.9
199.08160	1.6
200.97459	1.8
200.99236	1.6
201.00899	1.2
201.02548	1.2
203.02481	1.5
205.03801	0.6
206.96530	1.1
207.01794	4.8
208.96425	5.1
209.03278	1.6
209.05064	10.1
211.03023	1.6
213.06131	2.5
214.05647	0.8
215.07631	5.8
216.96948	5.2
217.00285	0.9
218.94923	3.0
219.00204	2.2
219.01901	21.9
220.02271	2.3
223.04553	1.0
224.97459	14.4
225.06049	8.3
226.97185	0.8
229.00618	2.5
229.04176	3.0
231.07149	2.8
234.97974	1.6
235.01375	2.1
236.96088	1.9
241.05577	16.6
241.07971	0.9
242.05737	1.3
242.98518	42.2
243.07150	17.1
243.98912	1.3
244.07446	0.9
244.98294	2.9
245.03647	1.7
247.01630	2.0
247.05194	2.4
251.04237	1.2
253.05605	2.7
258.97977	5.6
259.06650	17.7
260.06824	0.9
260.99597	19.6
261.08163	7.5
262.99414	0.9
265.02643	1.0
269.05057	40.4
270.05371	2.3
271.06659	9.3
271.09329	0.9
272.08224	1.4
272.99750	2.4
273.03156	12.0
274.03189	1.2
274.97519	1.9
276.99170	2.9
279.00705	4.6
279.50751	1.1
286.97675	2.2
287.06146	100.0
288.06439	5.6
288.98926	5.7
289.07675	2.5
291.00751	8.2
291.04263	9.4
292.04398	1.0
296.96176	2.4
297.04724	5.2
304.98761	1.8
305.07156	20.0
307.00031	5.6
310.07825	1.7
314.97113	8.8
315.05585	40.9
315.19949	1.0
316.05859	2.3
332.98059	35.4
333.05658	7.1
333.98526	1.7
334.05521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01849	0.8
55.05477	1.0
55.73679	0.7
56.92979	0.6
56.96560	14.2
57.03421	1.2
58.99865	11.3
60.08904	0.6
69.03429	7.2
70.18266	1.9
71.01300	2.1
71.04956	2.5
73.02880	0.7
73.06537	0.7
77.00914	3.8
81.03344	0.8
83.04958	0.8
85.02889	2.3
95.01910	1.0
97.02878	0.6
98.97568	8.4
99.04420	2.3
100.04751	0.8
101.06004	6.9
103.02425	1.1
105.00388	0.6
109.01366	1.1
110.97565	0.9
111.02900	0.8
112.92252	1.4
116.98613	4.0
117.05489	7.1
118.05790	1.9
119.01900	1.0
124.99086	0.9
127.00674	1.5
127.02371	7.8
129.03967	11.7
130.93294	15.6
134.99690	1.2
137.08099	1.3
141.02267	0.9
143.00189	2.1
145.03455	92.6
146.03545	4.1
147.03836	1.2
147.05011	20.8
148.05098	1.2
148.94325	2.9
153.05803	1.1
155.00162	3.0
155.01871	5.2
156.96556	0.9
157.03444	3.8
158.92770	2.1
161.01263	2.3
163.04512	51.6
164.04752	2.1
165.06082	9.7
169.07074	1.5
171.05006	2.0
171.08701	1.8
172.94348	23.2
173.01262	6.6
173.02979	23.0
173.04408	1.1
173.06561	0.9
174.03026	1.0
174.97626	5.8
175.04486	5.3
176.97476	1.0
177.00949	9.9
178.00893	1.0
179.05542	1.4
181.04994	1.2
181.07211	0.8
182.96451	1.5
182.99866	1.0
187.08122	0.7
189.00711	3.6
189.06114	1.0
189.09727	2.6
190.95384	24.1
191.02319	4.8
191.03986	52.7
192.04152	2.0
192.98743	4.2
193.05698	1.2
197.06581	13.7
198.95940	2.5
199.04568	0.9
199.08160	1.6
200.97459	1.8
200.99236	1.6
201.00899	1.2
201.02548	1.2
203.02481	1.5
205.03801	0.6
206.96530	1.1
207.01794	4.8
208.96425	5.1
209.03278	1.6
209.05064	10.1
211.03023	1.6
213.06131	2.5
214.05647	0.8
215.07631	5.8
216.96948	5.2
217.00285	0.9
218.94923	3.0
219.00204	2.2
219.01901	21.9
220.02271	2.3
223.04553	1.0
224.97459	14.4
225.06049	8.3
226.97185	0.8
229.00618	2.5
229.04176	3.0
231.07149	2.8
234.97974	1.6
235.01375	2.1
236.96088	1.9
241.05577	16.6
241.07971	0.9
242.05737	1.3
242.98518	42.2
243.07150	17.1
243.98912	1.3
244.07446	0.9
244.98294	2.9
245.03647	1.7
247.01630	2.0
247.05194	2.4
251.04237	1.2
253.05605	2.7
258.97977	5.6
259.06650	17.7
260.06824	0.9
260.99597	19.6
261.08163	7.5
262.99414	0.9
265.02643	1.0
269.05057	40.4
270.05371	2.3
271.06659	9.3
271.09329	0.9
272.08224	1.4
272.99750	2.4
273.03156	12.0
274.03189	1.2
274.97519	1.9
276.99170	2.9
279.00705	4.6
279.50751	1.1
286.97675	2.2
287.06146	100.0
288.06439	5.6
288.98926	5.7
289.07675	2.5
291.00751	8.2
291.04263	9.4
292.04398	1.0
296.96176	2.4
297.04724	5.2
304.98761	1.8
305.07156	20.0
307.00031	5.6
310.07825	1.7
314.97113	8.8
315.05585	40.9
315.19949	1.0
316.05859	2.3
332.98059	35.4
333.05658	7.1
333.98526	1.7
334.05521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1227
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
50.31041	0.5
55.01872	0.7
55.05510	0.7
56.05040	0.7
56.96559	1.4
57.07076	2.3
60.04526	16.3
62.98258	1.7
67.05495	1.3
69.07058	0.9
69.79936	0.6
72.04514	5.5
79.05503	1.9
81.07063	1.4
83.08592	0.7
88.07613	0.7
91.05480	1.0
93.07042	0.6
95.08612	1.9
97.10150	0.8
98.97587	5.3
102.04668	0.9
103.05461	2.0
105.07024	7.1
108.93410	0.5
109.06508	0.7
109.10184	0.9
115.05450	2.6
116.98627	5.2
117.03336	0.9
118.04124	0.7
121.10133	0.5
123.04455	0.6
124.09113	0.5
131.04900	3.9
133.06479	4.7
134.99631	1.6
137.05942	1.4
141.07004	0.6
145.01749	1.0
146.03633	4.0
152.06201	6.4
153.05479	1.4
153.06866	1.0
156.94846	0.6
159.13576	0.5
161.05974	33.4
162.06380	1.3
162.86386	0.5
163.02769	2.4
163.65923	0.6
165.06989	10.0
166.07773	5.8
167.08536	7.4
169.06520	2.1
175.07648	0.7
176.06235	2.0
177.06978	7.6
180.05678	2.9
181.03848	0.8
181.06454	2.7
182.07277	0.7
183.08054	0.8
191.07033	2.3
193.06383	3.1
194.07280	6.7
195.08054	20.8
196.08484	1.2
197.05994	3.5
205.06419	4.3
208.05093	4.0
209.05923	2.4
210.06775	1.2
211.07472	3.6
212.08252	2.1
221.05933	3.6
222.06760	9.7
223.07520	28.7
224.08194	4.2
225.05463	5.1
226.06079	1.3
233.05975	1.1
236.04674	1.7
237.05402	1.7
237.09088	1.3
239.07002	5.8
240.07814	7.0
241.08525	2.5
250.06277	1.8
250.93028	1.3
251.07031	10.3
252.07678	1.8
253.05083	1.5
253.08592	2.3
254.09364	2.1
255.10155	21.9
255.12817	1.1
256.10547	1.1
257.08063	1.6
265.08618	0.9
267.06522	1.0
268.07333	5.3
268.94061	2.8
269.08066	7.4
271.09735	0.8
273.13757	0.6
274.97491	1.6
279.23193	1.6
280.23459	0.9
283.09625	100.0
284.10257	14.3
285.07477	2.2
292.98517	1.3
296.25745	1.5
297.26172	0.9
300.09869	2.5
314.26724	1.5
314.30359	1.0
315.07822	1.6
315.12216	44.4
315.27216	1.0
316.12549	1.8
316.28525	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	315.1225
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
53.56257	0.6
55.01851	1.1
69.46337	0.6
69.46631	2.5
79.05474	0.8
98.97572	2.4
103.05463	2.7
105.07030	7.6
107.04922	0.7
107.47781	0.6
115.05446	2.1
116.98621	1.4
117.03368	1.0
118.04165	1.0
130.04129	0.6
131.04929	3.9
133.06508	3.8
137.05943	1.7
146.03629	4.4
152.06203	6.7
153.05478	1.3
153.06807	0.9
161.05977	38.8
162.06416	0.7
165.06989	9.2
166.07796	4.6
167.08542	6.8
169.06461	1.2
176.04820	0.6
176.06190	2.1
177.05528	1.0
177.06979	8.6
178.07654	0.8
180.05688	2.8
181.06488	3.4
182.07292	0.7
183.08026	0.8
188.10739	1.3
191.07010	1.9
193.06485	3.5
194.07274	8.9
195.08051	22.2
196.08629	1.1
197.05942	3.6
205.06480	3.6
206.07187	1.1
208.05171	3.8
209.05911	2.0
210.06723	1.2
211.07571	3.7
212.08272	2.1
215.41628	0.6
221.06032	4.1
222.06758	8.2
223.07530	30.8
224.08235	3.8
225.05415	5.3
226.06123	0.7
227.06947	0.7
233.05965	2.2
236.04659	1.9
237.05467	1.3
237.09146	2.1
238.06355	0.8
239.07036	6.6
239.85698	0.5
240.07794	7.8
241.08441	2.5
250.06236	1.9
251.07040	10.9
252.07724	1.9
253.04915	1.7
253.08531	1.6
254.05637	0.9
254.09309	2.8
255.10144	25.5
256.10495	0.9
257.08075	1.1
265.08615	1.2
267.06540	1.3
268.07361	5.6
269.08084	7.2
274.97464	1.1
282.08920	0.6
283.09637	100.0
284.10275	15.1
285.07544	1.6
300.09799	2.2
315.12241	46.4
316.12476	1.8
316.15662	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	315.1592
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
53.03937	0.8
55.01864	0.6
55.05509	0.4
56.96572	0.7
57.07075	0.6
60.04537	1.9
62.98248	0.7
65.03934	1.1
67.05502	1.0
68.71346	0.3
69.51784	1.4
69.78116	0.3
72.04533	2.4
77.03921	0.7
77.46210	0.4
77.63643	0.3
78.04711	1.0
79.05534	0.6
80.04979	0.5
81.07044	0.6
87.04472	0.4
91.05482	17.1
92.05763	0.4
93.07045	1.7
95.04967	4.3
95.08614	1.1
98.23434	0.6
98.97587	2.9
99.04453	0.4
105.04508	1.4
105.07047	1.0
106.04167	1.5
108.05704	2.1
109.06508	0.7
116.98611	1.6
117.06870	0.3
119.04986	1.5
119.06016	0.3
119.08559	0.5
121.06506	47.4
122.06828	1.1
123.08072	14.8
124.08459	0.3
131.04903	0.4
134.99663	0.6
135.08087	1.7
136.05156	0.4
137.06009	0.5
139.07549	12.4
140.07831	0.4
149.05998	0.6
149.07062	3.3
149.09673	0.5
151.07542	100.0
152.07883	3.0
155.03389	3.3
156.94777	0.4
160.11282	0.3
161.05942	0.6
162.12761	1.8
163.02751	0.8
163.07565	0.6
165.09126	0.6
177.09105	0.8
179.10660	0.6
181.03763	0.4
189.09100	0.4
191.74796	0.3
211.07593	0.4
225.09157	0.4
237.09241	0.4
250.93030	0.6
251.06920	0.5
251.10840	0.4
252.11461	0.4
255.10199	0.5
268.11227	0.5
268.94165	1.2
269.11667	2.5
274.97372	0.7
283.09708	1.0
283.13306	2.6
284.14081	4.4
292.98511	0.4
297.11221	1.3
297.26294	0.4
300.13431	0.4
314.26819	0.3
315.07690	1.3
315.12454	1.6
315.15900	31.3
316.15399	2.3
316.28427	0.8
329.56686	0.4
339.47455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
56.49725	0.8
56.96539	1.0
57.07070	4.0
60.04245	1.5
60.04528	17.3
62.06075	1.1
67.05494	2.8
67.37664	0.8
69.07065	2.3
70.04601	1.3
70.04930	1.2
70.06596	1.0
71.08655	1.0
72.04518	5.5
75.91312	0.8
79.05490	1.2
81.07065	3.0
83.08637	1.2
88.07625	1.2
91.05496	1.2
95.08614	3.3
98.97547	4.5
102.05534	3.7
106.08646	1.4
109.10194	2.4
116.98635	2.9
121.10088	0.8
134.99643	1.5
143.18088	0.9
149.05936	1.0
250.93111	1.0
252.92668	0.9
255.14128	0.9
259.28195	1.8
267.24445	1.1
268.30072	2.4
268.94171	1.4
280.29950	1.0
298.31049	11.0
303.85052	1.1
314.34164	3.8
315.07468	3.1
315.19318	100.0
315.34387	10.1
316.07178	1.3
316.15735	1.6
316.19684	5.8
316.32108	9.3
323.68527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38810	2.0
55.01884	2.6
56.96560	2.5
57.07074	3.0
67.05502	3.5
69.03428	2.9
69.74525	4.9
69.74914	4.8
79.05503	3.1
80.05042	3.3
81.03440	3.2
81.07072	3.3
82.06567	2.4
83.01339	2.7
83.07368	5.9
84.04483	2.7
84.16982	2.3
91.05483	70.1
95.08648	6.2
98.97598	13.0
99.04458	4.3
105.07047	2.5
109.10207	3.6
116.98613	11.5
120.08113	6.4
123.04404	2.5
123.06829	2.5
134.99649	3.8
151.06255	2.8
154.03242	14.4
155.03383	41.8
160.11285	4.4
162.12779	24.6
164.07085	3.3
179.04044	4.6
180.04839	2.8
180.10201	7.2
182.02710	20.1
190.12245	2.7
197.05112	8.1
199.05798	3.8
207.03517	6.8
210.14861	2.9
211.05827	2.7
218.11809	7.6
225.04562	33.7
226.06816	33.0
227.05281	5.5
237.05803	2.4
241.10886	5.0
252.08429	10.1
253.06979	3.7
254.06364	24.7
255.04755	23.4
256.05615	7.0
256.15482	8.3
258.11209	20.3
263.20285	2.8
263.44418	2.7
272.07501	4.2
273.08191	18.9
274.97510	7.5
280.07895	10.2
288.15894	6.2
292.95016	5.8
298.09003	35.8
298.16510	7.7
301.12946	5.4
310.95877	5.2
316.10034	100.0
316.15469	69.1
316.24863	7.8
316.28513	14.9
317.10202	3.1
317.15643	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	316.1546
Annotation	Epicephalotaxine
Peak:m/z	Relative Intensity
50.59850	0.1
68.55026	0.1
69.03413	0.2
69.30521	0.8
79.05480	0.2
85.02898	0.3
85.06539	0.3
95.08639	0.2
96.08960	0.1
98.94988	0.2
98.97565	0.3
105.06974	0.2
116.98563	0.2
137.05914	0.2
146.09642	0.2
155.07024	0.2
160.11276	0.2
162.12706	0.2
182.07663	0.1
214.12340	0.9
218.11763	69.6
219.12119	2.5
228.13835	0.6
229.14571	0.6
230.11781	0.9
240.13934	0.2
242.11795	0.4
256.13342	0.6
288.13004	0.2
288.15903	1.1
301.13034	1.3
316.15433	100.0
317.15762	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	316.1545
Annotation	Epicephalotaxine
Peak:m/z	Relative Intensity
69.56466	1.0
80.37827	0.2
81.31877	0.2
83.01355	0.3
90.65577	0.3
98.06011	0.4
98.53603	0.2
99.04402	0.3
120.08064	0.4
120.13021	0.2
122.09590	0.2
123.38731	0.2
134.09618	0.7
148.11174	0.4
150.09076	0.3
150.27867	0.2
152.10783	0.3
160.11179	0.5
161.11931	0.3
176.10684	0.9
178.53580	0.2
189.11522	1.6
200.10721	0.4
202.08632	0.4
202.12163	1.3
205.10776	0.3
208.11282	0.3
214.12289	1.7
215.13004	0.4
216.10211	0.3
217.14542	0.4
218.11745	1.6
228.13812	1.4
230.11745	6.3
242.11678	0.4
244.13368	0.6
245.14096	0.3
248.12883	0.3
256.13306	0.4
258.11255	75.5
259.11594	4.0
273.13635	0.4
284.12894	0.3
286.10706	4.1
298.14288	0.3
301.13074	24.0
302.13303	1.2
316.15433	100.0
317.15765	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	316.1545
Annotation	Buphanidrine
Peak:m/z	Relative Intensity
69.03416	0.5
69.96043	0.3
70.06625	0.3
79.44588	0.3
98.06108	0.4
101.45678	0.3
120.08107	0.4
131.58598	0.3
133.08914	0.4
134.09615	0.7
148.11147	0.3
152.10744	0.3
174.09178	0.3
176.10762	0.7
189.11528	1.5
200.10632	0.5
202.08615	0.3
202.12296	1.5
214.12273	1.5
215.13078	0.5
216.10182	0.3
218.11732	1.4
228.13937	1.3
230.11766	7.1
244.13516	0.4
245.14163	0.4
258.11270	74.1
259.11624	3.8
273.13449	0.4
283.12137	0.3
284.12744	0.5
286.10730	3.6
301.13101	24.3
302.13528	1.3
316.15445	100.0
317.15778	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	316.1543
Annotation	(R)-Norreticuline
Peak:m/z	Relative Intensity
50.43996	0.2
54.90834	0.2
55.05534	0.4
67.05485	1.0
69.03062	0.5
69.03424	5.8
69.07067	0.4
69.25037	1.0
70.06550	0.3
71.04968	0.8
72.08142	0.7
79.64552	0.3
80.05013	0.5
81.07050	8.8
82.04158	0.7
82.06563	0.3
82.07323	0.3
83.04985	0.5
83.72837	0.3
86.09701	2.1
91.05463	1.1
93.07036	0.9
94.06566	0.4
95.04950	0.8
95.08592	1.4
95.80701	0.3
96.05729	1.1
96.08126	1.5
97.02874	1.3
98.23579	0.3
98.97592	0.3
105.07008	0.8
107.08588	3.0
108.08118	0.9
109.06503	3.8
109.08894	0.5
110.09674	8.8
111.08070	3.3
119.04890	0.3
119.08563	0.6
120.08089	0.7
121.06489	0.4
122.07284	0.4
122.09656	1.3
123.04453	1.4
123.08015	1.3
124.08836	3.5
131.08566	0.5
132.08046	0.4
133.08849	0.3
134.09624	1.0
135.08060	1.3
136.11188	0.7
137.05966	24.4
138.06299	0.5
146.09647	0.4
147.04401	1.2
147.10405	0.3
148.11203	0.5
151.03888	1.0
151.07481	0.3
153.09109	0.3
156.32832	0.3
160.11217	1.4
161.11969	0.8
162.12781	2.3
165.05450	3.2
165.09085	0.4
172.09650	0.3
175.11125	0.7
185.16530	0.4
186.12686	0.3
188.14258	0.3
190.15868	2.0
200.14316	0.8
203.10689	0.4
203.22742	0.3
204.13799	0.8
214.12270	0.8
218.11745	70.1
219.10184	0.5
219.12059	2.6
221.11703	7.0
228.13774	0.7
229.14566	0.6
230.11784	1.1
232.66136	0.3
240.13797	0.5
240.32970	0.2
242.11845	0.5
256.13321	0.8
280.21591	0.3
288.15836	0.9
297.22717	0.3
298.22809	0.7
301.13019	1.8
315.23746	1.3
316.15381	100.0
316.19031	64.4
316.23444	4.6
317.10074	1.2
317.15723	6.1
317.19385	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	316.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.05539	0.9
60.04552	2.1
63.97382	0.4
67.05518	2.4
69.03459	0.9
69.07097	0.6
71.05008	0.5
71.45250	0.5
79.01871	0.7
79.05500	1.2
80.05017	5.3
80.73477	0.5
81.07060	0.5
83.01344	4.1
83.04995	0.6
91.05506	0.9
93.07043	0.6
94.06564	0.9
95.01292	0.6
95.04988	0.8
95.08603	3.7
98.97580	2.6
99.04456	11.5
99.05080	0.7
100.04827	0.6
103.03983	0.9
106.06570	1.4
109.02894	1.0
109.06513	0.7
111.08067	0.5
116.98615	1.7
120.08103	7.4
121.06544	1.8
123.08123	0.5
125.05978	0.6
127.03908	0.6
130.33688	0.5
132.08127	1.4
133.08891	0.9
134.99722	0.9
135.08072	2.2
137.06027	0.7
146.09636	0.7
148.07527	0.6
149.05902	0.6
151.03874	0.8
151.07571	4.2
153.05441	1.6
155.03392	100.0
156.03722	1.6
160.11211	3.9
162.12785	54.3
163.13120	1.4
165.05464	0.9
167.07045	4.8
176.10736	1.0
183.06491	1.3
188.10695	2.2
194.15393	1.0
194.41031	0.6
214.58224	0.5
224.10396	0.5
238.12224	0.6
250.25142	1.1
256.15378	0.9
258.11209	1.6
270.14774	0.7
272.16257	0.6
274.97540	0.8
280.26260	0.9
284.10172	0.7
288.92239	0.5
292.94604	1.2
298.14182	1.8
298.27225	1.4
299.12558	1.0
316.15256	26.3
316.25140	0.7
316.28433	9.3
317.15530	1.1
317.28424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.2
53.03932	0.3
55.01865	0.6
55.05508	0.4
56.02670	0.2
57.03417	0.5
67.01846	0.4
67.05508	1.7
68.99773	0.2
69.03410	0.9
69.48399	0.7
71.04971	0.2
79.01846	0.6
79.05492	0.5
79.47391	0.2
80.05013	4.5
81.07077	0.2
82.78796	0.2
83.01337	4.1
83.04959	0.4
89.57238	0.2
91.05486	0.4
93.07018	0.5
95.01320	0.5
95.04962	0.6
95.08607	3.0
97.02880	0.4
99.04452	12.0
103.03935	0.5
106.06559	1.2
107.04948	0.3
109.02882	0.7
109.06513	0.5
111.08074	0.5
118.06577	0.3
120.08101	7.9
122.09675	0.3
123.00840	0.3
123.04463	0.4
127.03928	0.7
132.08067	1.8
133.08862	0.8
134.09612	0.5
137.05920	0.2
140.00993	0.3
146.09599	0.5
148.07567	0.8
151.03864	0.5
155.03383	100.0
156.03720	2.4
160.07542	0.3
160.11200	3.2
162.12775	51.8
163.13141	2.2
165.05437	0.8
167.07040	4.3
169.10048	0.2
174.09187	0.2
176.10713	0.4
179.01476	0.2
183.06523	1.8
188.10721	1.5
238.12283	0.6
240.13866	0.7
243.12593	0.4
255.12477	0.3
260.13019	0.3
270.15012	1.2
272.16476	0.5
298.14410	1.9
316.15408	23.2
317.15753	1.1
326.17822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Buphanidrine
Peak:m/z	Relative Intensity
53.90628	0.2
69.03432	1.4
69.69819	1.0
81.07005	1.2
86.09680	0.6
107.08553	0.4
109.06479	0.6
110.09687	1.5
111.08053	0.4
113.20229	0.3
120.08091	0.4
124.08805	0.7
134.09631	0.6
136.07416	0.3
137.05978	3.3
146.09535	0.3
148.11183	0.7
155.03337	0.4
157.10091	0.3
157.13370	0.4
161.11925	0.4
162.12650	0.3
175.09901	0.3
176.10680	0.6
189.11465	1.4
190.15971	0.4
200.10678	0.5
202.08525	0.4
202.12282	1.5
214.12192	1.2
215.12973	0.3
216.13898	0.3
218.11723	0.8
221.11812	0.8
228.13780	1.5
230.11760	6.6
242.11693	0.4
244.13335	0.4
245.14052	0.7
256.13434	0.4
258.11261	77.8
259.11563	4.0
271.40051	0.3
273.13623	0.4
284.12650	0.4
286.10791	3.6
298.56805	0.3
301.13086	24.5
302.13358	1.6
316.15463	100.0
316.18967	8.5
317.15811	6.8
317.19272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1757
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
53.03953	0.5
53.59351	0.4
55.05513	1.3
57.03450	0.5
60.04533	1.1
61.05208	0.4
63.09524	0.4
67.05511	1.0
68.05028	1.4
69.03441	1.6
69.07059	0.7
70.06590	4.0
70.11283	0.6
70.11602	0.7
72.08155	7.1
73.06564	0.9
80.05003	2.2
81.03424	0.4
81.07061	1.0
82.04202	1.5
82.06591	1.7
83.04993	1.8
84.08157	1.5
85.06564	0.4
86.06052	0.5
86.09703	8.6
86.24098	0.4
87.04478	0.5
87.05594	0.6
88.33446	0.4
90.03148	0.4
91.05535	0.4
93.05782	5.8
94.06571	11.5
95.05000	0.8
95.08664	0.5
96.08155	0.4
98.06094	1.2
99.04456	0.5
102.05542	0.5
106.06587	1.2
108.08122	1.7
108.08772	0.4
110.06056	0.7
111.06821	6.1
111.07516	0.6
112.07622	1.8
114.12815	0.6
115.03960	0.5
115.98106	0.4
116.07098	6.6
119.04992	0.5
120.08179	0.5
123.04417	2.9
124.11211	2.6
126.09164	0.4
128.10796	0.5
134.76500	0.4
136.07570	5.6
137.06039	0.5
137.08380	1.6
138.08076	1.0
138.09137	18.1
142.12271	12.5
147.04469	1.4
152.10779	0.5
154.08659	3.3
155.09412	5.5
159.06525	0.9
161.06009	0.4
165.05490	6.7
167.00523	0.4
171.14961	2.3
172.09688	34.4
173.10066	0.9
173.12833	2.9
176.09210	0.5
199.14488	1.1
199.18167	1.5
201.12375	0.7
207.06487	0.5
216.12323	2.0
224.89796	0.4
226.14439	0.6
227.17563	0.6
272.15048	0.7
289.48138	0.5
298.16782	0.5
316.17664	100.0
317.09778	2.5
317.17993	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	316.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
56.05041	1.1
57.07061	0.2
60.04535	0.3
64.21307	0.2
67.41515	0.2
68.05030	1.0
69.97640	0.7
73.02921	3.4
74.06075	1.9
75.63226	0.2
80.05011	0.3
81.07051	0.3
83.08595	0.3
84.04507	2.5
93.07024	0.2
98.97586	0.8
102.05540	100.0
103.05885	1.3
114.05556	0.2
116.07080	0.3
116.98598	0.4
132.95758	0.3
172.52333	0.2
188.10666	0.4
197.10674	0.2
206.95868	0.2
219.17525	0.6
258.11243	0.7
262.21686	0.5
274.97446	0.3
280.22797	0.3
298.23700	2.6
299.23923	0.2
301.13110	0.3
316.15796	2.6
316.24820	28.2
317.25110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.08746	0.3
52.71169	0.4
55.01877	0.6
55.05510	5.0
56.05035	4.7
57.03432	0.6
57.07079	1.7
58.02967	0.5
60.04527	100.0
61.04862	0.6
67.05506	8.3
68.05030	0.6
69.07072	4.7
69.57847	0.6
69.58186	1.1
70.06592	1.4
70.66888	0.3
71.08640	0.8
72.04519	1.7
73.02919	0.4
74.06087	2.4
79.05495	4.9
80.05035	0.9
80.34976	0.3
80.47771	0.3
81.07056	7.2
82.06595	1.3
82.98222	0.3
83.05031	0.3
83.08627	3.2
86.06077	0.9
87.04467	3.8
88.07632	0.8
90.05558	1.0
91.05486	2.2
93.07037	2.8
94.06598	0.7
95.04984	0.9
95.08608	6.8
96.08154	0.7
97.06535	0.7
97.10178	1.9
98.06071	0.5
102.05559	0.5
105.07048	1.3
107.08614	1.1
109.10162	2.7
111.11722	0.3
112.07620	0.6
116.07092	0.6
119.08591	1.1
121.10152	1.1
123.11690	0.8
133.10146	1.1
135.11702	0.6
147.11687	0.5
165.12811	0.3
187.08907	0.3
250.25337	1.1
256.26260	0.8
262.25305	1.6
268.26343	0.9
280.23413	0.7
280.26361	10.6
281.26727	0.6
298.27408	11.9
299.27774	0.9
316.28464	46.4
317.28775	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	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05035	0.5
56.58334	0.3
57.07072	4.4
57.07334	0.3
58.02963	0.5
60.04524	100.0
61.04858	0.5
67.05513	0.5
69.10217	1.9
70.06593	4.3
71.08632	3.0
72.04523	3.8
74.06097	0.3
81.07046	0.6
83.08636	0.4
85.10168	1.3
88.07634	7.2
95.08612	0.4
98.23538	0.4
98.97525	0.3
106.08668	9.0
162.63399	0.2
169.13565	0.2
172.71378	0.3
225.15005	0.3
242.24785	0.9
263.23679	0.7
280.26337	2.7
284.09879	0.3
298.27286	0.9
306.70990	0.2
316.28564	2.3
316.32065	25.6
317.32367	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97792	0.6
53.01351	0.5
55.05513	0.8
56.05045	3.5
57.07082	11.5
58.02964	2.4
58.06618	0.6
60.04529	100.0
61.04851	0.7
63.98313	0.6
67.05517	1.2
69.07079	1.0
69.72997	2.0
70.06600	8.6
71.08633	6.3
71.84548	0.6
72.04520	30.8
74.06082	6.6
81.07058	1.1
83.08607	0.9
85.09746	0.6
85.10176	3.2
88.07638	28.7
95.08654	1.3
98.23409	0.8
98.97610	2.7
102.05556	1.2
106.08665	16.2
116.98682	0.9
118.56877	0.6
120.06590	1.6
120.40661	0.5
123.40376	0.6
135.50633	0.7
150.06375	0.7
155.03456	1.0
162.06279	0.6
162.12831	0.8
201.26524	0.6
224.07991	0.7
242.24983	1.1
263.23853	1.5
263.62589	0.7
270.27963	6.6
280.26382	4.7
284.10120	2.1
298.27448	3.5
316.19724	10.5
316.28558	29.5
316.32260	57.8
317.28864	1.9
317.32614	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	316.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69007	0.2
55.05513	0.5
57.06817	0.6
57.07080	7.9
58.06600	0.6
60.04528	53.9
61.04871	0.4
62.06099	0.4
69.07084	0.2
69.82966	0.6
70.06596	11.5
71.08645	2.8
72.04518	4.3
74.06112	0.5
79.05497	0.4
83.08616	0.3
85.10183	1.7
88.07635	15.1
91.05494	1.1
95.08600	0.4
98.97610	0.8
102.09186	3.9
105.07056	0.3
106.08667	9.3
116.98617	0.6
119.04982	0.3
121.06529	2.3
123.08083	0.7
135.08112	0.8
139.07523	0.5
150.06764	1.1
151.07553	5.5
152.07956	0.4
155.03394	1.7
162.12813	0.9
165.09137	2.8
179.10686	0.8
183.52689	0.3
205.43414	0.3
242.24744	0.5
256.15070	0.4
258.11340	0.4
272.29477	0.8
280.26300	1.4
298.16742	0.4
298.27719	0.4
298.31055	5.5
298.50116	0.3
316.15903	1.0
316.17343	1.1
316.22528	4.3
316.32101	100.0
317.17670	0.3
317.32449	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	317.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.96567	36.9
58.99863	7.4
69.03458	3.4
69.56001	7.4
72.08167	2.6
81.03379	3.4
84.08134	6.4
85.02894	5.8
86.09701	3.3
98.22719	2.7
98.97582	90.6
101.00911	3.8
110.97569	5.3
116.98627	38.4
119.01912	4.4
121.06552	2.3
124.99167	2.3
127.02436	2.7
128.98552	3.1
129.03984	19.8
129.10278	2.8
130.93295	12.6
134.99663	11.7
138.05489	2.4
143.00175	3.3
143.01913	11.1
145.03471	15.6
147.03226	7.8
147.05019	7.5
154.93242	3.8
155.00269	3.2
157.03473	16.5
157.70505	2.3
159.05046	12.1
161.01230	3.7
161.02969	9.9
163.04517	7.8
165.04314	6.4
172.94341	33.1
172.95724	2.1
173.01190	10.9
174.97723	3.0
175.04515	43.6
176.04697	2.6
177.06065	11.8
179.00728	5.3
182.96434	3.2
189.00740	6.6
190.95360	18.2
191.02252	7.2
191.04019	6.2
193.03801	2.9
193.05592	8.9
193.07416	1.8
196.39572	2.2
197.06604	4.2
200.97435	3.7
201.37013	2.2
203.03947	2.1
207.01826	8.2
210.95932	4.7
214.95486	6.1
216.97003	3.2
219.01903	3.7
221.01801	8.3
224.97572	4.1
225.06023	9.3
227.00801	3.0
228.96906	16.3
231.00221	3.3
232.96442	7.6
235.61623	2.4
237.02950	2.8
242.98508	6.9
243.07306	10.9
244.07350	3.4
244.96367	3.2
245.01811	2.5
246.98024	8.9
249.04919	3.3
250.97606	3.6
252.97092	8.2
253.05571	8.0
254.98540	3.9
255.07224	4.0
256.96500	6.9
259.07877	7.0
260.99426	2.6
270.98010	100.0
271.00909	4.9
271.04114	3.4
271.06677	49.0
271.98270	3.2
272.06754	4.4
272.99567	5.8
273.08255	6.3
274.97485	59.1
275.00400	3.5
275.02771	3.4
275.97870	6.7
277.00992	3.5
286.97485	2.8
288.99042	93.6
289.07895	32.8
289.99365	4.9
290.07941	3.1
292.98389	26.0
293.03912	2.9
293.99268	6.9
295.97678	3.0
298.97601	8.5
299.06256	17.6
302.96432	2.7
302.99658	15.4
304.98669	9.7
307.00089	8.7
312.00311	2.5
316.98453	54.5
317.06900	94.9
317.12143	66.6
317.21188	2.2
317.99033	2.4
318.07425	8.8
334.99585	62.5
335.05350	2.8
336.00153	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	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
56.53953	0.2
65.03943	0.8
67.05498	0.3
68.99784	0.4
69.03416	0.2
69.43545	0.5
69.43943	0.5
70.06583	0.3
70.12416	0.2
79.05462	0.3
82.66544	0.2
84.08150	0.6
90.47302	0.2
92.02628	3.0
93.03415	2.2
111.00783	0.4
121.02884	1.8
122.03634	0.2
126.03141	0.9
132.41470	0.2
136.11211	2.7
137.02304	0.5
137.06001	0.3
139.03842	1.5
146.99089	0.2
147.04385	0.2
149.11905	0.2
151.03899	1.2
153.01825	15.5
154.02196	0.2
155.04955	0.3
163.03938	0.4
164.14369	1.1
165.01848	0.7
165.05460	0.6
166.02675	0.4
166.66087	0.2
177.05473	0.4
179.03433	0.3
183.02954	0.3
187.03896	0.4
189.05453	0.3
200.04709	0.6
201.05449	1.7
203.03378	1.2
209.48862	0.2
217.04945	2.5
218.05743	1.4
219.02945	0.6
220.13359	0.6
228.04187	3.0
229.04965	6.5
230.05409	0.5
231.02859	1.3
232.03616	0.3
243.06575	0.2
245.04488	3.1
246.05197	2.9
247.09673	0.8
249.11288	0.2
256.03653	0.6
257.04449	4.2
258.05090	0.4
259.02692	0.2
260.03183	0.5
261.07458	0.3
273.03900	3.5
274.04724	6.9
275.05148	0.4
284.03156	0.8
285.03928	7.4
286.04657	0.5
288.06366	0.3
301.00043	0.2
301.03503	0.4
302.04202	20.9
303.04520	1.0
317.06549	100.0
318.06891	6.5
318.17004	8.2
318.20782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Milimorin
Peak:m/z	Relative Intensity
55.01863	0.1
63.02365	0.1
64.62157	0.1
65.03937	0.8
67.01866	0.2
67.05492	0.2
68.99776	0.5
69.03426	0.3
70.06590	0.2
81.03414	0.1
83.60713	0.1
84.08141	0.3
91.05485	0.1
92.02625	3.3
93.03404	3.1
94.04186	0.1
95.01331	0.1
95.04978	0.1
98.23505	0.2
105.03375	0.1
107.04942	0.1
108.08100	0.1
109.02884	0.2
111.00818	0.4
115.05464	0.1
117.07016	0.1
120.02103	0.3
121.02864	2.3
122.03658	0.3
123.04404	0.3
124.01559	0.2
126.03139	1.2
131.04915	0.1
133.02846	0.2
133.06512	0.1
134.09619	0.1
135.04399	0.1
136.01534	0.2
136.11214	1.9
137.02364	0.7
137.05965	0.3
139.03900	1.7
140.04260	0.1
141.18512	0.1
145.06453	0.2
149.02359	0.2
149.12076	0.1
150.03102	0.3
151.03914	1.7
151.05063	0.2
151.07545	0.1
152.01045	0.4
153.01822	19.4
154.02155	0.6
155.04903	0.3
159.04274	0.1
161.05931	0.2
163.03928	0.3
164.14369	0.7
165.01828	1.5
165.05466	0.2
166.02599	0.4
170.02106	0.2
172.05132	0.1
173.05998	0.5
176.04738	0.2
177.05490	0.6
179.03362	0.3
183.02913	0.3
183.04427	0.3
187.03888	0.3
188.07193	0.1
189.05437	0.2
190.06262	0.3
191.03372	0.1
192.04099	0.1
200.04697	0.9
201.05461	1.9
203.03372	1.4
204.04083	0.4
205.04936	0.2
211.03958	0.2
213.05521	0.1
215.03340	0.1
215.06845	0.1
217.04948	3.1
218.02206	0.2
218.05708	1.4
219.02942	0.6
219.06221	0.1
220.13298	0.2
228.04160	4.1
229.04944	8.1
230.05345	0.6
231.02917	1.1
232.03641	0.2
233.04448	0.2
239.03366	0.2
243.06523	0.4
245.04460	3.8
246.05222	3.7
247.02475	0.2
247.05444	0.2
247.09705	0.2
249.11267	0.2
256.03610	0.6
257.04437	4.9
258.04993	0.4
258.11151	0.1
259.02280	0.1
259.11511	0.4
260.03192	1.0
261.03943	0.1
261.07574	0.6
271.06018	0.5
273.03931	4.2
274.04703	8.1
275.05087	0.4
284.03165	1.1
285.03922	9.3
286.04492	0.5
287.01819	0.3
288.06339	0.3
289.06812	0.1
299.05283	0.1
301.03500	0.5
302.04190	25.3
303.04504	1.4
303.14542	0.1
317.06531	100.0
318.06882	5.9
318.16974	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	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
63.02365	0.1
64.62157	0.1
65.03937	0.8
67.01866	0.2
67.05492	0.2
68.99776	0.5
69.03426	0.3
70.06590	0.2
81.03414	0.1
83.60713	0.1
84.08141	0.3
91.05485	0.1
92.02625	3.3
93.03404	3.1
94.04186	0.1
95.01331	0.1
95.04978	0.1
98.23505	0.2
105.03375	0.1
107.04942	0.1
108.08100	0.1
109.02884	0.2
111.00818	0.4
115.05464	0.1
117.07016	0.1
120.02103	0.3
121.02864	2.3
122.03658	0.3
123.04404	0.3
124.01559	0.2
126.03139	1.2
131.04915	0.1
133.02846	0.2
133.06512	0.1
134.09619	0.1
135.04399	0.1
136.01534	0.2
136.11214	1.9
137.02364	0.7
137.05965	0.3
139.03900	1.7
140.04260	0.1
141.18512	0.1
145.06453	0.2
149.02359	0.2
149.12076	0.1
150.03102	0.3
151.03914	1.7
151.05063	0.2
151.07545	0.1
152.01045	0.4
153.01822	19.4
154.02155	0.6
155.04903	0.3
159.04274	0.1
161.05931	0.2
163.03928	0.3
164.14369	0.7
165.01828	1.5
165.05466	0.2
166.02599	0.4
170.02106	0.2
172.05132	0.1
173.05998	0.5
176.04738	0.2
177.05490	0.6
179.03362	0.3
183.02913	0.3
183.04427	0.3
187.03888	0.3
188.07193	0.1
189.05437	0.2
190.06262	0.3
191.03372	0.1
192.04099	0.1
200.04697	0.9
201.05461	1.9
203.03372	1.4
204.04083	0.4
205.04936	0.2
211.03958	0.2
213.05521	0.1
215.03340	0.1
215.06845	0.1
217.04948	3.1
218.02206	0.2
218.05708	1.4
219.02942	0.6
219.06221	0.1
220.13298	0.2
228.04160	4.1
229.04944	8.1
230.05345	0.6
231.02917	1.1
232.03641	0.2
233.04448	0.2
239.03366	0.2
243.06523	0.4
245.04460	3.8
246.05222	3.7
247.02475	0.2
247.05444	0.2
247.09705	0.2
249.11267	0.2
256.03610	0.6
257.04437	4.9
258.04993	0.4
258.11151	0.1
259.02280	0.1
259.11511	0.4
260.03192	1.0
261.03943	0.1
261.07574	0.6
271.06018	0.5
273.03931	4.2
274.04703	8.1
275.05087	0.4
284.03165	1.1
285.03922	9.3
286.04492	0.5
287.01819	0.3
288.06339	0.3
289.06812	0.1
299.05283	0.1
301.03500	0.5
302.04190	25.3
303.04504	1.4
303.14542	0.1
317.06531	100.0
318.06882	5.9
318.16974	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	317.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	50.0
61.51840	0.9
71.45396	1.1
71.95260	2.7
72.96037	1.3
80.69580	1.1
84.96011	1.2
94.36507	0.9
98.65768	0.9
98.97573	11.6
112.99130	11.2
116.98631	7.7
122.63762	1.0
131.00168	17.4
134.73454	1.0
134.99629	3.2
136.11168	1.8
140.00290	1.3
149.01227	12.9
154.01720	1.5
183.06885	4.6
186.91127	0.9
191.02242	3.0
201.07913	9.9
219.09030	100.0
220.09404	4.1
237.10083	90.5
238.10565	3.0
242.10599	8.1
245.10593	3.1
257.10550	7.4
260.11725	3.9
263.11575	1.0
270.93903	1.0
275.11661	25.9
288.92044	2.0
289.92664	1.0
293.12610	5.7
298.13278	4.6
299.11945	2.0
317.12698	30.9
317.15750	1.2
317.21936	23.8
318.13138	2.3
318.16922	4.5
335.13654	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	O-Methylodoratol
Peak:m/z	Relative Intensity
50.09016	0.5
53.03972	0.9
55.01905	1.5
63.43519	0.4
65.03974	2.1
65.36005	0.5
67.05505	5.1
68.99811	0.9
69.03452	0.9
69.07102	0.7
71.46627	0.5
71.98489	0.5
79.05495	9.0
79.05935	0.6
81.07059	29.7
82.07410	0.6
84.08163	1.0
91.05482	19.3
92.05859	0.6
93.07085	2.3
94.04214	1.6
95.04972	3.5
95.08604	1.2
103.05460	2.7
104.06223	0.5
105.07037	8.6
107.04948	4.2
107.08626	1.6
109.02904	0.7
109.06522	31.7
109.10155	1.0
110.06905	0.6
111.04427	0.6
115.05474	3.5
117.07022	6.7
119.04946	3.3
119.06132	0.7
119.08581	6.3
120.05737	1.3
121.06482	5.8
121.10169	1.0
123.04430	31.7
123.08073	1.6
124.04756	0.9
126.24626	0.6
129.06952	0.9
131.08546	0.6
133.06525	3.7
134.07297	2.4
135.04430	1.2
135.08055	6.6
136.11224	1.8
137.05978	100.0
138.06288	2.5
139.07549	1.1
144.05682	0.7
145.06451	0.5
147.04396	2.7
147.08087	3.5
149.05988	2.8
149.09613	6.8
150.06729	1.4
151.07542	10.1
153.09113	1.0
156.01456	0.5
158.07268	0.6
159.08014	2.3
160.05208	1.1
161.04701	1.0
161.05977	14.7
162.06673	1.9
163.07564	6.3
164.08327	2.1
165.05516	4.2
165.09113	15.0
169.77162	0.4
174.06737	1.9
175.07547	10.7
176.08250	0.5
177.09125	8.8
179.07034	1.2
179.10669	11.8
181.08589	0.9
189.07494	0.8
189.09091	10.9
190.09766	1.2
192.07724	1.3
193.08620	5.0
207.10150	14.0
220.13199	0.8
225.09001	0.6
239.10526	0.8
253.08488	0.9
257.11584	1.2
258.11075	0.7
259.11569	4.8
267.10086	1.2
271.09119	0.5
271.13074	0.9
284.10263	0.8
285.11032	1.0
287.12805	2.4
299.12781	24.3
300.12744	1.5
302.13089	1.5
317.13544	27.4
318.13739	1.9
318.16669	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	317.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.0
56.05035	1.4
57.07075	1.7
60.04528	38.6
61.04852	1.3
67.05504	0.8
69.68497	2.3
70.06583	1.7
71.08632	0.8
72.04535	0.9
74.06064	0.9
79.05493	7.2
81.07040	1.0
83.08618	0.6
85.10203	0.8
88.07644	3.4
91.05478	5.8
92.05753	0.7
93.07045	2.0
95.04990	1.7
95.08627	1.3
98.23480	1.1
103.05479	4.7
104.36803	0.5
105.04557	0.7
105.07037	19.1
106.08662	1.9
107.04948	0.6
107.08597	1.6
119.08605	2.8
120.05750	3.1
121.06530	4.1
121.10178	3.5
122.06886	0.8
123.08128	1.4
131.08572	1.3
133.06519	1.3
133.07582	0.9
135.04414	12.4
135.08070	5.0
136.11172	0.9
137.09645	1.2
147.08075	1.3
149.05998	0.9
149.09622	4.4
150.06764	91.4
151.07584	6.7
151.11195	0.6
152.07864	3.8
161.33574	0.5
163.07544	1.0
164.08345	9.3
165.09119	100.0
166.09473	5.7
179.10677	27.6
179.12282	0.8
180.10927	1.2
268.08054	0.6
270.27850	1.3
282.27872	1.4
285.11041	0.8
300.29016	2.5
316.31927	6.3
316.34961	1.2
317.17535	11.9
317.32471	4.6
318.17142	6.0
318.30051	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	317.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61793	0.3
62.98257	4.9
87.89854	0.3
89.29540	0.3
109.67883	0.3
117.11471	0.3
128.42093	0.3
136.11230	1.0
140.92682	0.3
164.14299	0.4
196.80209	0.4
317.20633	100.0
318.16998	4.0
318.20966	5.0
318.29858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03942	2.5
55.01869	2.9
55.05510	7.3
56.82067	2.0
57.03433	10.5
57.07076	4.5
60.04529	51.5
61.04851	4.6
65.03928	3.1
67.05502	24.0
68.02753	2.2
69.03448	3.1
69.07073	9.0
69.12998	15.0
70.06619	2.8
79.05490	4.1
79.23209	2.1
81.03426	53.7
81.07063	26.2
83.04989	7.7
83.08606	3.0
83.09408	2.7
84.08143	3.3
85.06567	2.0
88.07630	5.5
91.05487	8.2
93.07056	8.8
95.04973	86.5
95.08624	19.0
98.97610	6.3
99.08109	3.7
101.99141	2.0
105.07041	12.1
107.04981	4.1
107.08607	9.8
108.00624	2.0
109.03461	2.1
109.06526	12.6
109.10163	15.2
111.04395	2.6
116.98631	2.9
117.07101	2.9
119.08569	6.5
121.06499	11.2
121.10147	7.8
123.04469	13.8
123.08108	10.7
123.11716	38.0
131.08549	2.8
133.10110	3.9
135.08067	11.3
135.11691	4.0
136.11253	3.6
137.09599	2.3
137.13260	6.8
141.05457	2.8
145.06499	5.6
145.10130	2.6
147.11717	6.3
149.09612	5.4
149.13263	4.1
151.07567	6.1
151.77878	1.9
155.07123	3.9
157.10077	2.8
159.11678	3.0
161.13280	5.4
165.09108	2.8
165.12740	12.7
166.13120	2.1
169.10066	2.8
173.09656	2.5
173.13292	3.0
175.11195	3.6
177.16432	2.2
179.07156	2.3
187.11253	3.3
191.14406	2.5
195.17491	4.0
203.14371	2.3
205.15915	13.9
211.11368	2.2
215.14449	2.5
217.15913	5.2
220.13353	4.8
225.12738	2.7
243.17464	2.1
281.19104	2.9
299.17038	4.2
299.19965	20.7
300.28796	3.4
311.72635	2.1
315.48810	2.7
316.32117	3.9
317.20972	100.0
317.24719	5.3
317.32425	9.0
318.17093	37.1
318.21164	6.7
318.24152	6.8
318.29932	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56761	1.4
53.03931	2.1
57.03430	6.2
59.51775	1.5
61.02928	13.6
69.03426	20.8
69.41482	6.5
69.41817	2.0
71.05003	2.8
73.02918	5.4
80.61385	1.6
81.03411	8.2
85.02904	100.0
87.04446	2.9
91.03979	5.4
91.05479	2.1
93.07039	3.5
97.02895	27.6
99.04430	4.1
109.02859	8.6
121.06503	78.1
127.03900	18.7
145.04959	38.1
156.10170	2.9
159.07924	1.8
163.06024	5.8
180.08644	21.0
187.07539	9.9
196.07513	1.6
205.08537	10.6
229.08600	5.8
247.09627	5.1
255.87938	1.9
265.10800	1.9
318.16666	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30075	0.4
53.03922	0.6
57.03426	1.3
61.02902	1.9
64.60016	0.5
67.05456	0.6
69.03439	5.8
69.62262	0.9
69.62654	1.3
70.06538	0.7
71.04984	0.7
73.02891	1.3
79.05428	0.5
81.03410	1.7
82.06566	1.0
83.04984	0.7
84.04449	0.6
84.08125	2.1
85.02906	16.7
87.04475	1.2
91.03948	1.2
91.05437	1.2
93.07030	2.4
95.08583	2.1
96.04482	2.5
96.08125	1.8
97.02450	0.5
97.02898	5.4
97.05253	1.2
97.06544	0.9
97.27742	0.5
98.23383	1.0
98.40816	0.5
99.04464	0.8
99.87018	0.6
100.07623	1.0
103.05458	1.0
109.02870	1.7
110.06045	5.1
110.09695	3.0
111.08108	0.8
120.08083	1.2
121.06508	26.7
124.07524	0.5
126.09151	6.7
127.03953	3.6
136.11198	0.7
138.09138	19.7
139.07515	3.7
145.04979	4.9
145.06027	0.7
146.05298	0.6
151.07491	0.7
152.10704	0.9
156.10207	100.0
157.10536	2.2
163.06059	1.2
168.10202	1.9
180.08719	0.6
180.10249	0.8
198.11301	1.3
220.13429	1.3
247.09674	0.8
265.10873	0.7
307.08606	0.7
318.17075	36.1
319.17361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01870	0.9
56.91514	0.3
57.03433	1.2
61.02940	2.2
69.03428	5.2
69.08607	0.8
69.09016	1.8
70.06578	1.3
71.04982	0.4
73.02907	1.1
77.67990	0.4
81.03406	1.6
83.04977	0.5
83.07362	0.5
84.08144	2.1
85.02905	23.3
86.03239	0.4
87.04475	0.9
91.04009	0.8
91.05468	0.8
93.07036	1.3
94.96964	0.3
95.04965	0.6
95.08597	1.7
97.02895	5.0
99.04453	1.0
103.05441	0.6
107.06653	0.4
109.02884	1.6
109.06529	0.6
110.09779	0.4
115.03976	0.4
119.31889	0.4
121.06506	20.2
122.06850	0.6
122.09687	0.5
123.04420	1.1
123.08041	1.1
124.08847	0.5
124.11212	0.7
125.09624	0.5
127.03907	4.7
138.09200	0.5
139.03912	0.4
145.04945	9.7
145.06622	0.6
150.09065	0.4
151.07541	0.5
152.10684	0.8
159.08066	0.6
163.06065	2.4
175.07483	0.5
179.06992	0.8
180.08699	1.1
180.10172	0.9
182.11763	1.3
185.05992	0.4
187.07518	3.4
189.21207	0.4
192.10352	0.3
200.64357	0.5
201.09161	0.4
205.08580	3.1
220.09810	0.6
220.13394	1.6
229.08600	1.4
247.09639	1.7
247.66165	0.4
248.12874	0.4
265.10748	0.7
276.12180	0.8
290.17633	1.6
318.16992	100.0
318.60059	0.6
319.17303	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	318.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03431	1.1
61.02925	2.2
62.07104	0.3
65.82497	0.3
67.05492	0.5
67.79921	0.4
69.03429	4.0
70.04434	0.9
70.06581	1.2
71.04981	0.4
73.02902	1.1
74.12945	0.4
81.03415	1.7
83.04990	0.9
83.07345	0.7
84.08148	1.9
85.02905	21.1
87.04448	0.8
91.03967	1.2
91.05496	0.8
93.07033	0.7
94.06546	0.4
95.08593	1.7
96.08072	0.4
97.02896	4.8
98.22769	0.4
99.04452	0.7
103.03912	0.4
103.05473	0.4
105.07027	0.5
109.02879	1.7
120.08191	0.3
121.06509	17.5
122.06904	0.4
122.09605	0.4
122.67451	0.3
123.04454	1.2
123.08072	1.0
123.10462	0.3
124.08855	0.3
124.11268	0.7
125.09645	0.6
127.03910	4.4
131.08594	0.4
135.08000	0.4
136.11276	0.4
138.09100	0.3
139.03893	0.4
145.04967	7.9
145.06151	0.6
145.06561	0.4
150.09172	0.9
151.07558	1.1
152.10742	0.8
156.10165	0.4
157.06441	0.4
159.08066	0.9
162.12787	0.4
163.06033	2.2
164.96165	0.3
168.10248	0.4
173.77605	0.3
175.07510	0.7
176.14294	0.4
178.08578	0.5
179.07019	0.4
180.08743	0.8
180.10199	1.6
182.11797	2.1
187.07544	3.9
201.09146	0.4
205.08630	2.1
220.13268	1.8
229.08640	1.0
247.09711	1.1
265.10657	0.9
276.12433	0.7
290.17517	1.9
318.16992	100.0
319.17331	5.4
319.20670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02279	0.3
55.01873	1.3
55.05500	0.5
57.03415	0.8
61.02917	1.4
67.05508	0.9
69.03431	2.8
70.06592	3.0
71.04996	0.4
71.43961	0.4
72.08144	1.1
73.02911	0.9
81.03409	1.3
83.04989	1.5
83.07381	0.4
84.08144	2.2
85.02904	14.2
85.03418	0.8
90.60419	0.4
91.03934	1.1
91.05450	0.6
93.07055	1.9
95.04989	0.5
95.08606	3.1
96.08152	0.4
97.02888	3.7
99.04494	0.7
101.00882	0.5
103.05465	0.7
105.07079	0.8
109.02884	1.0
109.18116	0.5
110.09692	0.7
111.04397	0.4
119.01920	1.1
120.08091	0.4
121.02872	0.7
121.06503	27.9
122.09692	0.5
123.04429	1.2
123.08057	0.8
124.11269	0.9
125.09630	1.0
127.03897	3.2
134.09630	0.7
135.10378	0.4
138.05537	0.5
138.09125	1.4
139.03856	1.7
139.07527	2.9
143.01909	1.6
145.04958	5.2
148.11220	0.7
150.09114	0.7
151.07552	0.9
152.10730	1.2
156.10197	1.9
158.91901	0.3
159.07968	0.7
161.03006	3.1
162.12851	0.8
163.06084	0.8
163.07491	0.5
175.08769	0.7
179.07022	0.4
180.08641	1.6
180.10191	1.1
182.11765	2.4
187.07538	1.5
191.13135	0.6
203.03999	0.5
205.08624	1.1
220.13315	1.1
229.08582	0.9
247.09727	1.3
256.16678	0.8
265.10748	0.8
276.12296	0.7
290.17505	0.9
300.15753	2.7
318.16977	100.0
319.12631	1.4
319.17267	4.9
319.20255	0.6
342.23312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1701
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
52.49387	0.2
62.82300	0.2
64.77833	0.3
67.05510	0.7
67.79123	0.2
69.03416	0.5
69.30763	1.5
70.06588	0.6
75.51537	0.3
79.05494	0.3
81.83926	0.3
82.06564	0.5
84.07672	0.5
84.08141	7.1
90.85925	0.3
91.05479	0.5
91.21920	0.3
93.07031	0.7
94.06563	0.3
95.08595	0.5
95.88582	0.3
96.08129	0.4
106.06546	0.4
107.07302	0.3
108.08125	3.0
110.09658	0.4
120.08099	1.1
121.06570	0.4
121.08895	0.7
122.09708	1.5
123.10464	2.6
134.09637	2.6
135.10440	1.0
136.11211	70.1
137.11569	1.7
148.11212	1.3
149.05992	0.5
149.11996	1.7
162.12785	0.7
163.13553	0.8
164.10724	0.8
164.14351	24.3
165.14738	0.7
181.08640	0.4
190.12361	0.4
191.13126	0.4
220.13321	10.6
221.13730	0.4
241.45448	0.3
247.09613	1.9
249.11192	1.0
260.12793	1.1
262.14407	1.0
286.14435	0.3
288.12247	0.3
290.17569	2.2
303.14609	1.3
318.16986	100.0
319.17261	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	318.1701
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
66.69684	0.3
67.05506	1.1
69.03422	0.9
69.32832	1.3
69.33232	0.6
70.06590	1.1
79.05512	0.4
83.07351	0.7
84.00947	0.4
84.08144	15.1
85.08472	0.3
91.05470	0.7
93.07025	0.8
95.04952	0.5
95.08619	2.2
96.08136	0.4
101.36007	0.3
107.07347	0.6
108.08115	2.7
110.09653	0.9
120.08086	0.9
121.06508	0.6
121.08856	0.7
122.09666	1.9
123.04465	0.8
123.08077	0.5
123.10448	3.1
124.07578	0.6
134.09657	2.4
135.10432	0.9
136.11215	58.8
137.11559	1.2
147.86646	0.3
148.11218	1.1
149.11981	1.4
150.09120	0.4
151.07555	0.6
152.10733	0.4
162.12752	0.9
163.13576	1.0
164.14354	25.0
165.14749	0.7
174.12787	0.5
183.06578	0.5
190.12204	0.6
191.12959	0.5
202.12279	0.5
220.13330	22.0
221.13702	1.0
235.25450	0.3
247.09702	2.2
249.11385	0.4
260.12708	0.6
260.16583	0.4
262.14438	0.8
290.17511	1.7
303.14590	0.8
318.16992	100.0
319.13477	0.4
319.17322	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	318.1699
Annotation	1-NA-PP1
Peak:m/z	Relative Intensity
67.05508	2.5
68.32044	0.3
69.03067	0.7
69.03432	11.5
69.27637	1.6
70.06595	17.4
70.81744	0.3
80.05003	0.4
82.06579	1.2
83.01343	0.6
83.04988	0.5
83.07359	2.9
84.08144	8.8
84.08656	0.4
85.67309	0.3
91.05493	0.4
93.07040	0.5
95.04916	0.4
95.08604	0.3
96.08128	0.8
97.08886	0.4
98.23435	0.7
105.07018	1.2
108.08125	0.7
109.06489	0.5
110.09676	0.9
117.07047	0.4
120.08076	0.9
121.06505	0.7
122.09652	0.4
123.07986	0.5
127.03911	0.6
133.10013	0.3
134.09648	1.3
135.08078	0.3
135.10408	1.1
136.07585	0.6
136.11218	5.8
148.11217	0.6
149.05956	0.6
151.07571	0.4
151.09944	0.7
155.03374	0.4
155.07079	0.4
161.09631	0.7
162.12773	0.4
164.14322	2.1
165.05501	0.4
165.09221	0.4
171.08099	0.5
181.08566	2.0
183.06488	0.5
184.83102	0.4
188.92944	0.3
189.09111	0.7
191.06963	0.4
192.13826	0.4
205.08736	0.3
220.13400	2.0
247.09703	3.1
249.11250	7.7
260.12952	1.9
276.90842	0.4
288.12213	0.4
290.17761	0.5
303.14713	1.9
308.80054	0.4
318.16989	100.0
319.17294	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1701
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
53.03953	0.6
55.01885	3.0
55.05529	1.2
56.05031	1.1
60.87379	0.4
62.17820	0.6
65.03939	0.6
67.05505	9.8
68.05017	0.6
69.03425	0.8
70.06597	2.9
78.30898	0.4
79.05485	4.2
80.05002	0.5
81.07058	3.0
82.06566	0.8
82.36775	0.4
83.07371	0.7
84.08138	3.1
91.05485	1.7
93.07040	2.7
94.06588	1.0
95.04957	3.0
95.08607	22.4
96.08114	0.4
97.02904	0.5
97.06537	1.2
103.05464	1.0
105.07028	9.7
107.08578	1.0
108.05741	0.6
108.08145	0.9
109.06512	0.8
117.07032	0.5
120.08125	0.4
121.06498	0.6
122.09653	3.3
123.04433	16.3
123.08067	6.0
132.08133	1.0
133.06493	7.4
134.09682	3.2
135.08055	1.8
136.07536	0.5
136.11244	3.7
149.08388	0.6
150.09149	10.8
151.07547	10.7
152.07848	0.4
152.10765	0.6
160.11237	0.4
162.09221	0.9
164.10721	3.9
164.14365	0.8
180.10187	6.7
182.11792	3.8
188.10757	1.5
206.11780	1.6
272.16385	1.2
290.17389	1.0
300.15897	2.2
318.17001	100.0
319.17355	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	318.1701
Annotation	Zaidine
Peak:m/z	Relative Intensity
52.29868	0.2
61.52939	0.2
68.00290	0.2
70.06577	0.4
70.74348	0.5
74.09364	0.2
80.05013	0.3
84.08141	0.6
88.45891	0.2
96.08122	0.2
99.04445	1.5
105.07020	0.3
106.10137	0.2
107.07299	0.4
108.08128	0.4
120.05635	0.3
120.08117	0.7
122.09697	2.0
124.11272	0.3
132.08095	1.0
134.09673	1.9
135.10428	1.7
136.11220	2.1
137.11981	1.2
143.08549	0.2
146.09618	0.6
147.10428	0.6
148.07561	0.3
148.11192	0.5
160.11217	3.7
160.71007	0.2
161.09761	0.4
161.11884	0.2
162.09137	0.5
162.12796	2.4
163.09921	0.3
163.13556	2.4
164.10684	0.3
164.14365	0.6
172.11195	0.3
173.09613	0.2
174.11504	0.2
174.12776	5.8
175.13567	10.1
176.10703	0.6
176.14281	0.8
184.11244	0.3
186.12743	0.5
188.10724	1.1
189.11418	0.3
190.12276	4.5
191.13045	6.3
192.44859	0.3
202.12286	2.8
202.15875	0.4
203.12946	0.3
212.14355	0.4
213.15195	0.3
214.12302	0.4
214.15927	0.3
216.13844	0.3
219.12439	0.4
220.13335	0.5
226.12251	0.3
227.12869	0.3
229.10962	0.3
230.11736	0.6
230.15456	0.4
240.13831	0.5
241.14610	0.5
242.11816	0.3
242.15367	1.6
244.13455	0.4
246.18526	0.7
257.14105	1.7
258.14868	0.8
260.12796	0.5
262.18350	0.3
270.11249	0.7
272.16479	1.0
274.18054	1.2
275.15143	0.3
285.13544	1.1
286.14377	0.6
290.17517	4.0
300.15952	7.6
301.16367	0.3
318.16986	100.0
319.17334	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	318.1701
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
55.05514	0.5
56.05043	0.4
56.35418	0.3
57.07066	0.9
57.85781	0.3
66.70090	0.3
67.05497	0.9
68.05023	2.1
69.03413	1.5
69.05795	0.5
69.94826	1.0
70.06595	2.5
71.04978	0.9
71.08633	0.6
74.93360	0.3
79.05478	0.4
80.05009	0.5
82.06569	1.3
84.08147	11.9
86.99107	0.3
88.07633	2.0
94.06557	0.5
95.04974	0.6
95.08593	0.9
99.04436	0.8
100.07566	0.3
103.61124	0.3
105.07006	0.5
106.06563	0.8
106.08643	0.5
107.08583	0.6
113.20457	0.3
114.09155	0.8
118.06539	0.4
120.08102	5.9
121.08842	1.3
122.09657	0.7
123.04441	2.7
125.09617	2.5
130.58997	0.3
132.08063	1.0
132.10173	3.0
134.09651	0.7
136.11212	0.4
146.06012	0.3
146.09671	1.0
148.06453	0.5
148.07570	5.6
148.11218	1.1
150.09135	0.7
150.11281	2.1
151.07515	0.3
153.09129	0.5
158.09662	0.8
159.10403	0.4
160.07579	1.9
160.11153	0.5
162.09149	0.7
166.08646	5.2
172.11276	0.6
174.12778	2.8
176.14346	1.0
184.11206	1.6
187.09926	1.4
192.13832	1.3
198.12692	0.5
200.14323	0.5
202.12282	4.6
218.16158	0.4
220.13336	57.8
221.13710	2.0
254.15398	2.1
272.16431	1.6
274.27469	0.6
278.53772	0.3
300.15912	1.1
305.39661	0.3
318.17007	100.0
318.29987	10.2
319.17325	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	318.17
Annotation	Zaidine
Peak:m/z	Relative Intensity
56.05027	0.4
57.07067	0.5
58.48879	0.2
68.04998	0.3
69.03430	0.2
69.51036	0.5
69.51429	0.8
70.06599	1.2
71.04980	0.3
79.05474	0.4
80.05020	0.4
82.06554	0.4
88.07619	0.7
91.05463	0.5
91.88200	0.2
93.07063	0.3
95.04961	0.3
96.08146	0.4
98.22762	0.4
99.04457	0.7
102.09187	0.3
105.07034	0.5
108.08185	0.3
115.05455	0.3
120.08082	0.7
122.09647	1.2
124.11199	0.6
129.06984	0.4
131.08627	0.2
132.08086	0.6
132.10204	0.8
134.09639	1.6
135.10472	1.4
136.11237	1.2
136.57753	0.3
137.12006	0.8
143.08479	0.4
147.10419	0.3
148.07605	0.5
148.11185	0.8
149.08421	0.2
150.11224	0.7
158.09660	0.3
160.11229	1.3
162.12798	2.4
163.09929	0.7
163.13559	4.4
164.10634	0.4
164.14154	0.2
172.11235	0.3
173.09622	0.2
174.12769	4.2
175.13553	4.4
176.10725	1.9
176.14163	0.6
181.05086	0.3
184.11218	0.5
186.12706	0.3
188.10735	0.9
190.12263	9.0
191.13045	22.9
192.13458	0.9
200.10733	0.3
200.14404	0.2
201.15173	0.3
202.12234	2.6
202.15895	0.5
203.12978	0.4
212.10689	0.3
212.14357	0.4
213.15016	0.3
214.12357	0.3
214.15965	0.4
216.13864	0.3
219.12511	1.4
220.13327	0.5
230.11758	1.2
230.15411	0.8
231.16129	0.6
232.13277	0.4
240.13783	0.8
241.14471	0.5
242.11768	0.5
242.15396	2.0
244.13306	0.9
246.18590	0.5
257.14151	1.0
258.15002	1.4
259.15646	0.7
260.12830	0.3
262.17987	1.4
270.11087	0.5
272.16547	0.8
274.17975	0.8
285.13657	0.6
286.14450	0.6
290.17502	18.1
291.17853	1.1
300.15930	3.7
303.14542	0.4
318.16992	100.0
318.30008	3.6
319.17352	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	318.1702
Annotation	1-NA-PP1
Peak:m/z	Relative Intensity
55.01860	0.5
67.05502	0.7
69.03426	0.6
70.06593	1.0
70.69077	0.4
72.08147	0.3
78.34910	0.2
81.07055	0.3
82.06589	0.4
83.05000	1.1
83.07357	0.5
84.08145	2.0
85.02900	1.5
86.09721	0.3
93.07074	0.4
95.04918	0.2
95.08611	2.0
96.08144	0.2
97.02914	0.4
99.04482	0.3
109.80429	0.2
111.04421	0.2
121.02878	0.8
121.06487	1.1
122.09671	0.8
123.04420	1.4
123.08048	0.7
124.11232	0.6
125.05908	0.2
125.09632	0.6
127.03901	0.3
138.09131	0.5
139.03899	1.0
145.04979	0.7
146.06027	0.3
150.09143	0.5
151.07521	0.7
152.10709	1.5
153.09175	0.3
165.05496	0.6
166.05827	0.5
166.08682	0.4
168.10223	0.7
173.27118	0.2
174.11263	0.9
178.08658	0.4
180.10161	1.4
182.11771	2.1
198.19456	0.2
208.70151	0.3
220.09781	0.4
220.13341	0.8
248.12885	0.4
262.17960	0.3
276.12299	0.8
290.17508	1.1
312.71042	0.2
318.16983	100.0
319.17230	5.6
319.20193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.17
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
67.05498	0.7
69.03416	0.6
69.95036	0.5
70.06580	0.4
77.56019	0.2
79.05491	0.3
80.05009	0.3
81.15273	0.2
82.06599	0.3
82.31738	0.2
83.81924	0.2
84.07668	0.4
84.08143	4.4
91.05489	0.7
91.06587	0.2
93.07046	0.7
94.06528	0.2
96.08115	0.2
98.86506	0.2
106.06537	0.3
107.07329	0.2
108.08112	3.3
109.26901	0.2
110.09674	0.5
119.08606	0.3
120.08092	1.6
121.06511	0.4
121.08905	0.8
122.09672	1.5
123.10448	3.1
125.06004	0.2
134.09657	3.5
135.10426	0.7
136.11212	80.3
137.11557	2.4
148.11200	1.2
149.05971	0.4
149.12025	1.7
151.09856	0.2
152.10690	0.2
153.05453	0.3
162.12781	1.0
163.13542	1.0
163.35625	0.2
164.10733	0.8
164.14351	25.7
165.14699	1.1
167.07095	0.3
174.12801	0.3
177.37184	0.2
181.08566	0.4
189.09106	0.2
190.12286	0.3
192.13850	0.3
207.81378	0.2
220.13321	6.9
247.09694	2.3
249.11296	1.1
260.12811	1.1
262.14362	0.9
275.15143	0.4
289.36536	0.2
290.17432	1.6
303.14639	1.2
318.16986	100.0
319.17325	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	318.17
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
50.14698	0.3
61.61721	0.3
67.05504	0.5
67.45102	0.4
69.03426	0.3
69.30784	1.9
70.06578	0.5
75.65603	0.3
79.05455	0.5
83.01381	0.4
84.08141	3.9
91.05476	0.5
93.07040	0.5
94.06598	0.4
106.06545	0.7
107.07314	0.5
108.08121	2.5
120.08117	1.5
121.08873	0.5
122.09674	1.6
123.10490	2.6
134.09648	2.9
135.10455	0.9
136.11217	65.9
136.94136	0.3
137.11528	1.7
148.11227	1.0
149.12048	1.8
153.05518	0.4
162.12735	0.9
163.13570	1.0
164.10678	0.8
164.14355	25.9
165.14661	0.6
168.75485	0.3
176.10631	0.5
181.08607	0.6
183.06609	0.4
220.13329	4.9
242.15257	0.4
247.09744	1.9
249.11209	0.9
260.12860	1.0
262.14389	0.9
275.15451	0.4
290.17511	2.1
296.30042	0.4
303.14526	0.9
318.16998	100.0
319.17331	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	318.1701
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
51.72203	0.3
55.05503	0.5
55.45757	0.3
67.05506	1.7
68.05032	0.3
69.03065	0.5
69.03432	7.8
69.40350	0.9
69.40742	0.6
70.06596	12.3
71.37392	0.3
79.05515	0.4
81.07027	0.3
82.06580	1.1
83.01359	0.3
83.07379	2.5
84.08145	8.9
91.05497	0.7
93.07060	0.5
94.06562	0.4
95.04928	0.3
96.08148	1.0
98.23473	0.6
99.04443	0.3
105.07054	0.6
107.07282	0.3
108.08105	1.3
109.06522	0.4
109.08952	0.3
110.09670	0.5
120.08092	0.9
121.06509	0.5
121.08868	0.3
122.09700	0.6
123.10468	0.9
134.09674	1.7
135.10429	0.8
136.07561	0.5
136.11220	20.6
137.11588	0.6
141.05374	0.4
145.06451	0.3
149.05983	0.8
149.11993	0.6
151.09924	0.6
155.03462	0.6
161.05942	0.5
161.09595	0.9
162.12796	1.1
163.13589	0.5
164.10707	0.5
164.14351	8.4
165.05394	0.3
165.14642	0.3
181.08583	1.2
189.09087	0.7
190.12331	0.4
191.06790	0.3
217.08575	0.4
219.06616	0.6
220.13329	3.9
247.09665	4.7
248.10368	0.3
249.11250	5.6
260.12830	2.0
278.63101	0.3
288.12296	0.3
290.17554	0.8
303.14749	1.7
316.56863	0.4
318.17001	100.0
319.17337	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	318.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.0
55.05511	5.2
56.05020	0.8
60.04526	27.2
61.02912	0.8
67.05498	1.3
69.03422	4.1
69.07076	0.9
69.68652	3.0
70.02962	2.0
70.03759	1.0
70.06599	2.9
70.72204	0.7
72.08155	61.4
73.08495	1.0
79.05473	1.5
81.03425	0.8
81.07053	0.8
84.04515	1.0
84.08147	1.9
85.02904	5.2
86.09705	50.5
87.05590	19.3
88.99047	0.8
91.05499	1.2
94.06554	0.7
95.04987	0.8
96.08134	1.7
97.02897	3.0
98.22635	1.1
99.04466	1.0
110.07207	0.8
111.05633	0.9
114.09171	15.2
118.08655	3.1
120.08122	2.9
121.06535	1.6
122.09708	1.0
123.04417	8.0
123.15672	0.8
124.04794	4.0
127.03924	1.8
128.10750	4.0
130.06563	1.0
132.10196	6.7
137.05997	1.5
138.06374	0.8
140.10756	0.7
142.30801	0.8
145.04958	1.8
147.04427	2.4
148.04750	2.3
150.09142	1.3
151.03909	1.3
152.10718	0.9
153.05472	2.7
154.05727	0.9
159.11288	100.0
160.11613	1.8
165.05469	11.4
166.05833	11.7
166.08667	0.8
173.12851	45.1
174.11281	1.6
174.13158	0.7
176.10689	2.1
182.11748	1.2
187.10771	37.4
187.14340	2.2
197.01199	1.1
201.12334	16.6
202.12491	1.0
202.42116	0.7
205.11861	1.6
212.07033	0.9
215.02266	1.4
219.13374	1.2
220.13287	1.2
231.17026	1.8
259.11615	0.8
269.70706	0.7
272.09067	0.9
273.02911	0.8
277.12961	3.7
288.29495	0.7
302.12509	1.8
318.10864	7.2
318.16910	37.0
318.20410	5.3
318.29861	0.9
319.14813	2.7
319.17694	1.5
319.20490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69085	1.0
56.96569	6.8
57.12859	0.8
60.85896	0.9
70.09488	1.0
70.09811	2.2
71.95256	1.3
74.35530	0.8
98.23323	1.1
98.97585	100.0
99.97910	1.3
102.96887	1.3
104.09068	1.1
116.98624	48.1
120.62283	1.0
121.61755	0.9
123.50455	0.9
126.10091	0.9
134.99658	13.4
153.00719	1.9
174.97704	2.3
177.00974	1.3
179.00745	4.8
179.59456	0.9
192.98756	1.4
194.91350	1.3
205.02278	5.7
206.46280	0.9
212.92256	1.8
216.98688	6.7
219.02130	4.3
221.01836	2.7
230.93294	2.0
234.99721	10.3
235.03372	1.2
240.98563	5.4
241.98924	1.0
247.03325	1.3
254.93285	5.6
256.96454	1.0
258.99753	63.3
259.99960	10.3
261.03131	1.5
264.03119	1.2
272.94388	9.9
274.97556	3.2
276.97653	3.5
277.00815	68.2
277.04367	6.0
278.00974	9.9
278.96777	2.9
279.00812	2.1
282.01532	1.1
282.99979	1.8
290.95471	3.8
295.05502	6.4
295.95840	1.2
296.97491	1.0
300.97516	3.8
301.00955	2.6
314.95453	2.9
316.98877	1.5
318.17160	1.3
318.98550	6.9
332.96469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	15.5
61.02924	1.7
63.75115	1.4
63.86016	1.4
69.03446	2.1
70.03809	1.4
74.12309	1.6
84.08123	2.9
85.02914	6.6
89.50645	1.4
97.02911	1.7
98.97581	8.2
101.00878	1.7
103.34872	1.3
111.02991	1.4
116.98632	4.0
119.01923	2.6
121.01674	1.7
121.06550	2.5
127.03909	1.9
128.98615	2.9
131.01910	1.4
134.99585	1.5
137.05948	1.5
143.01863	1.4
145.01701	2.9
145.04985	2.7
155.00182	6.7
155.07025	3.6
157.03482	3.8
158.99664	3.1
161.02991	1.5
163.02762	1.9
170.99666	2.0
171.05025	4.1
173.01248	13.7
174.99197	2.5
175.02765	2.8
175.04579	4.4
185.05042	1.8
189.00572	2.4
191.02310	14.4
191.03986	2.1
192.02580	1.8
193.00301	3.0
199.02924	1.7
199.04555	6.0
201.00746	2.6
209.03270	1.6
211.06107	4.1
217.03799	2.8
217.05626	12.1
219.01802	9.3
219.05455	1.7
231.43053	1.5
234.46439	1.6
235.01225	2.7
237.02795	5.6
239.05527	2.3
245.06415	3.1
247.06792	3.4
255.11348	2.0
259.06668	2.8
265.05832	1.8
279.03912	3.3
279.91312	1.6
301.08789	2.2
301.11923	2.5
319.10349	100.0
319.13354	4.7
320.10388	2.1
320.18658	3.8
337.08151	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22173	7.5
51.14255	6.1
56.96569	35.7
65.48032	6.7
68.97407	6.3
71.43050	7.2
74.43599	6.5
77.42113	6.9
98.97609	10.4
101.00896	13.7
101.35349	6.3
108.14194	6.8
115.36298	6.8
119.01931	14.4
136.99103	9.6
155.00166	20.2
173.01260	28.8
191.02304	20.8
201.04282	8.9
217.00290	14.3
224.96536	7.3
235.01292	24.7
247.04703	8.0
259.01282	22.8
274.11047	8.6
277.02301	8.5
319.07568	73.7
319.10080	100.0
319.13516	26.3
320.18744	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	319.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	7.9
57.05818	1.0
58.05359	0.8
58.06592	0.6
60.05648	2.6
69.03426	1.1
69.04547	1.1
70.06601	4.1
75.86617	0.6
83.06096	3.5
84.08130	1.1
86.09713	1.3
87.05583	0.9
87.10041	0.6
95.06073	2.8
98.07189	0.8
98.22687	0.9
105.03423	0.8
105.05773	1.2
106.06564	1.6
110.07139	0.7
111.05575	7.4
112.08729	1.4
113.07121	4.0
117.67124	0.5
118.06571	0.6
120.04434	3.9
123.05552	1.1
126.06627	5.5
127.07424	2.2
128.08162	0.9
130.06587	1.0
132.04456	16.3
132.08092	1.7
134.05995	4.3
135.93433	0.6
137.04648	0.7
140.08188	2.3
148.03935	2.3
150.04367	0.9
150.05502	8.0
151.06157	8.3
152.10753	0.9
159.09111	1.3
162.05476	0.8
163.03882	0.9
165.06650	1.4
176.07054	2.7
176.14346	0.8
187.08705	6.8
189.06584	1.3
199.52264	0.6
202.09805	5.0
203.08116	3.9
214.09789	0.8
219.07745	0.9
222.14861	5.8
227.09320	0.9
230.09193	4.1
231.07632	31.4
232.08110	1.0
232.10817	2.8
233.09169	1.2
233.14003	8.4
234.12274	1.0
242.09291	2.8
246.08711	2.0
249.13577	1.4
255.08905	1.2
257.10373	6.4
259.11905	31.3
260.10095	1.2
260.12570	0.9
277.12949	100.0
278.13266	5.5
284.11401	6.3
292.19058	0.9
301.14200	3.0
302.12469	53.4
303.12747	2.4
313.58383	0.6
319.14902	99.8
320.15250	4.6
320.18539	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	319.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
57.94944	0.4
59.04980	0.4
61.24795	0.3
65.03935	0.9
67.05489	1.1
68.05029	0.5
69.03436	0.7
69.05849	0.6
69.31716	1.9
70.06586	3.7
71.04988	0.7
77.03917	0.6
78.04726	0.6
79.05487	1.7
81.07057	0.7
82.06570	0.8
83.07364	1.1
84.08142	21.1
88.07630	0.9
91.05478	8.7
93.07034	1.4
95.04959	2.1
95.08601	1.7
96.08115	1.9
97.08923	1.5
99.04461	1.1
101.05988	0.5
103.05456	0.7
105.04527	0.9
105.07018	1.9
106.04161	0.4
107.08601	0.5
108.05757	1.3
108.08115	1.5
109.06516	0.9
109.08908	0.7
110.09689	1.4
119.08584	0.8
120.08069	0.8
121.06501	20.6
121.10162	0.4
122.06834	0.5
122.09677	5.5
123.08060	5.5
123.10446	0.9
124.11191	0.8
124.49737	0.4
127.03911	0.7
128.06271	0.3
131.10451	0.4
134.09647	0.7
135.04422	0.9
135.08049	1.0
136.11205	3.9
137.05937	0.5
137.09691	0.4
137.12027	3.2
138.12755	3.9
139.07515	5.0
149.06036	0.7
149.07109	2.0
150.06746	5.0
150.12785	0.5
151.07538	55.7
152.07899	1.7
155.03407	0.9
155.06979	0.4
158.24422	0.4
161.05954	0.5
162.12753	0.4
164.14320	1.7
165.09131	4.1
165.14967	0.4
166.15994	0.4
167.07066	0.5
175.11177	0.9
181.08591	1.5
183.06526	1.1
183.08034	0.6
189.09079	0.6
190.24120	0.4
191.10678	0.5
192.13589	0.8
194.07423	0.5
195.08015	0.9
201.09145	1.0
204.13820	0.7
209.09602	1.3
210.10417	0.7
211.07457	1.9
216.37714	0.4
221.13661	1.2
222.14891	8.5
225.09117	0.6
226.09866	1.4
227.10565	0.6
237.09099	0.5
238.09981	1.0
239.07013	0.7
241.12202	3.6
243.10222	0.7
244.16985	0.7
253.08620	1.2
254.09407	1.5
255.10187	1.4
256.07202	0.4
260.16443	0.5
268.10889	0.5
269.11703	4.8
270.12436	1.7
271.09592	1.5
272.10150	0.5
276.19592	1.5
279.68661	0.4
286.12039	2.6
287.12750	0.9
292.19019	0.6
301.14310	4.5
302.14209	0.4
302.17523	0.6
318.30032	1.8
319.17300	8.8
319.30386	0.7
320.18549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1541
Annotation	Zearalenone
Peak:m/z	Relative Intensity
53.03934	0.7
55.01873	1.0
55.05507	1.2
56.05046	0.5
56.36292	0.4
63.06615	0.5
63.32530	0.5
65.03941	0.6
67.05499	1.6
69.07073	0.5
69.87649	1.1
70.06593	5.3
71.04992	0.9
79.05494	4.2
81.07043	0.8
82.06563	0.9
83.07357	1.2
84.08141	28.4
91.05488	4.8
93.07013	1.3
95.04968	1.3
95.07333	0.7
95.08621	1.7
96.08126	2.2
97.08912	1.9
98.97578	0.7
99.04489	0.6
103.05476	2.8
105.07027	10.3
107.07780	0.5
107.08554	1.2
108.08130	1.5
109.06517	1.2
109.08872	1.5
110.09703	1.1
117.07002	0.8
117.65938	0.5
119.08613	1.2
120.05716	1.2
121.06492	7.9
121.10170	0.7
122.09651	8.6
123.04477	1.1
123.08057	1.9
123.10459	0.8
124.11163	0.7
127.03912	0.7
133.06508	1.0
134.09685	0.6
135.04405	7.7
135.08055	5.3
135.10425	0.7
136.11214	6.2
137.05984	3.6
137.09605	0.6
137.12035	3.5
137.12901	0.6
138.12785	4.3
139.07539	1.7
147.11682	0.7
148.11218	0.5
149.05951	1.6
150.06757	52.1
150.12743	0.7
151.03954	0.6
151.07552	15.8
153.09100	0.8
155.03381	1.2
155.07019	0.5
161.05981	0.6
163.07530	3.7
163.13512	0.5
164.14349	1.7
165.09109	65.7
166.07971	0.5
166.09399	2.6
166.15869	1.2
167.07077	0.9
173.09618	0.5
175.07626	0.5
175.11235	0.9
177.09090	1.4
181.08621	5.0
183.06482	1.4
183.08017	1.0
185.09615	0.9
189.09158	1.4
195.08043	0.7
201.09039	0.8
204.13811	0.8
208.08813	2.2
209.09622	4.4
210.10199	0.7
211.07562	3.7
212.08377	0.7
213.09419	0.6
222.06827	1.1
222.14894	9.9
223.11223	2.2
225.09125	1.2
226.09895	5.5
227.10490	0.8
237.09128	2.6
238.09850	2.1
239.07022	0.7
239.10675	0.9
240.11369	0.6
241.12224	9.3
243.10049	0.9
244.17036	1.1
252.11526	1.3
253.08662	2.3
254.09398	5.0
255.10098	1.3
255.13887	1.0
267.10098	0.7
268.10977	2.7
269.11719	32.5
270.12390	3.3
271.09653	1.3
273.14780	1.0
273.86646	0.6
276.19608	1.4
283.13370	0.7
286.12012	2.7
292.19104	0.8
301.14255	8.8
302.17496	0.8
319.17386	7.7
320.18555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2017
Annotation	Huperzine G
Peak:m/z	Relative Intensity
55.01869	0.5
55.05519	0.7
56.05035	0.3
58.06595	0.3
67.05509	3.0
68.05049	0.5
69.03434	1.0
70.06598	2.4
72.08154	0.9
76.56381	0.3
79.05488	2.0
80.05006	2.6
81.07056	1.0
82.06580	2.1
84.08142	1.5
85.02898	0.5
86.09694	0.5
91.05489	0.7
93.07013	0.6
94.06570	2.3
94.65520	0.3
95.04980	0.6
95.08630	0.6
96.04495	0.9
96.08137	1.8
101.69127	0.3
103.05487	0.4
105.07035	1.7
106.06568	0.4
107.08586	2.2
108.08124	1.1
108.08833	0.3
109.10162	4.1
110.06019	1.5
110.07191	0.8
110.09711	0.9
115.03915	0.3
115.94322	0.3
117.07028	2.0
120.08097	1.6
121.02861	0.4
121.06524	0.7
122.03140	0.4
122.06080	1.6
122.06829	0.5
122.09670	6.7
123.09990	0.3
124.07601	1.4
124.11234	10.3
125.06046	0.4
130.06577	0.5
132.08080	1.4
133.06525	0.7
134.09653	4.7
135.08035	3.6
136.07498	0.7
137.08322	0.4
139.03877	0.6
139.15744	0.4
146.06073	0.7
146.09593	0.4
148.07602	0.3
148.11241	0.6
150.09146	39.1
151.09515	1.1
152.10706	40.7
153.05434	0.4
153.11070	1.1
160.11243	0.4
161.02982	0.4
161.08434	0.4
162.09126	0.4
163.03879	0.6
164.10707	0.5
168.10197	12.6
169.10582	0.4
170.11690	1.7
172.11130	0.3
174.09184	0.4
176.10704	2.2
182.11761	6.7
183.12234	0.3
186.12778	0.4
188.07072	0.9
190.12297	0.5
202.12411	0.5
204.13904	0.5
206.04309	0.4
208.13420	1.4
214.12236	0.4
222.14899	1.0
228.13942	0.5
245.16565	0.7
256.17075	0.4
274.18008	1.3
277.12946	1.0
284.16519	1.3
301.19141	0.7
302.12155	0.4
302.17487	7.6
319.17236	7.2
319.20221	100.0
320.14587	0.6
320.20859	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	319.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05508	0.9
56.05010	0.7
63.55952	0.4
67.05509	3.9
68.05026	0.5
69.03410	1.7
69.42738	1.5
69.96925	0.5
70.06599	2.6
79.05498	3.0
80.05018	5.9
81.07032	1.8
82.06556	1.2
84.08147	6.5
91.05468	1.3
93.05753	0.8
93.07018	1.1
94.06563	5.5
95.08604	1.0
96.04488	0.5
96.08116	1.7
98.23449	1.1
98.52180	0.6
105.07024	3.5
106.06513	0.6
107.08609	3.9
108.08089	1.5
109.10144	1.8
110.06023	2.9
110.09698	0.8
117.05736	0.9
117.07015	3.6
120.08067	0.5
122.06015	3.4
122.09675	16.9
123.06855	0.5
124.11247	3.1
125.05837	0.6
132.08138	2.6
133.06479	1.6
134.09665	5.5
135.06950	0.7
135.08046	5.3
136.11200	4.6
137.08357	0.7
137.11519	4.8
150.09146	100.0
151.09480	2.6
152.10707	57.6
153.11028	1.3
164.14380	2.1
165.14687	2.1
168.10208	31.1
170.11781	6.7
182.11809	2.5
208.13345	0.7
220.13292	0.8
221.13741	1.4
222.14796	2.2
248.10059	0.8
250.11609	0.7
319.17212	12.5
319.20322	62.8
320.18323	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
56.10548	0.3
56.96562	3.7
64.86076	0.3
65.33600	0.3
67.05511	0.5
69.03426	1.2
69.07071	0.5
69.32661	1.6
70.06589	1.0
77.03937	1.0
81.03422	0.4
84.08146	2.0
84.96023	1.5
85.02907	2.3
89.09973	0.3
91.46088	0.3
95.04967	1.0
97.02850	0.7
98.06104	0.3
98.97585	15.7
102.96926	0.5
105.03376	1.0
109.02870	0.7
110.97575	4.0
111.04469	0.6
112.07578	0.3
112.99132	0.4
116.98615	5.6
120.97897	0.5
122.09659	0.8
123.04429	100.0
124.04776	2.1
124.99113	0.4
127.03952	0.4
128.98604	2.6
131.00174	0.6
134.99629	1.3
136.11197	0.5
137.05991	1.1
137.11981	0.4
138.12767	1.0
140.07050	0.6
140.98584	0.8
141.05478	0.7
143.00188	1.6
144.98055	0.5
146.99664	1.4
152.98587	1.8
155.00156	0.5
155.07048	1.4
155.75426	0.3
156.03275	0.3
158.08156	0.6
158.99673	2.7
161.01210	0.9
164.14211	0.3
170.99706	2.0
173.01222	1.2
177.00676	2.6
180.08701	0.4
183.06572	0.7
186.04349	0.5
189.00740	1.6
191.02272	0.4
201.00648	0.5
207.01807	0.4
211.06027	1.0
219.01765	3.6
222.14899	1.1
229.06915	0.5
237.02795	4.7
239.05417	0.4
243.01778	0.6
257.06720	0.4
261.02832	0.7
261.06549	1.0
274.97205	0.5
278.96796	1.1
279.00632	0.4
279.04153	0.7
279.07501	10.7
288.98904	0.3
292.98349	0.7
296.97903	0.5
297.08505	1.8
320.08179	0.6
320.14288	1.8
320.18542	13.6
321.08530	10.1
321.18793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.54791	1.1
55.01863	1.6
55.05513	1.1
56.96572	4.4
57.03423	3.4
60.08152	2.0
61.02922	4.0
67.05495	1.2
67.30268	0.8
69.03430	8.4
70.06587	3.4
71.04985	2.0
71.45394	0.8
73.02914	1.9
74.06059	1.0
79.05497	0.8
81.03423	9.2
81.07071	0.9
83.01324	1.1
84.08141	27.2
85.02905	32.6
86.09709	13.6
87.04479	1.3
91.03963	2.0
91.05469	0.9
93.07026	1.1
95.08612	0.8
96.08122	2.7
97.02903	9.0
97.08971	1.7
98.97586	9.7
99.04461	2.5
108.08126	1.4
109.02879	74.4
109.08865	1.0
110.03207	1.9
110.09683	1.8
110.97573	2.2
111.04412	0.9
116.98628	3.3
120.08106	3.0
122.09670	8.3
123.04414	1.4
123.10420	1.3
124.11196	0.8
125.00017	5.6
127.03925	7.8
128.98586	2.3
136.11206	2.9
137.05922	1.7
137.11992	3.6
138.12752	3.9
141.05461	85.8
142.05846	2.1
143.00127	1.2
145.04967	7.4
158.99594	1.9
161.01212	1.0
163.05949	1.1
164.14261	1.6
166.15927	1.1
170.99663	1.0
171.07573	1.1
173.12862	2.0
177.00752	1.5
177.05478	1.0
180.08690	2.9
181.04973	1.7
182.22327	1.0
183.06519	2.0
184.07341	29.2
188.05449	1.6
189.00764	1.1
201.00986	1.2
207.06474	1.6
219.01810	2.0
222.14925	7.1
224.07742	1.2
237.02803	1.9
242.08765	1.5
243.01904	1.0
254.94194	1.4
272.95117	2.7
276.19666	1.0
279.04721	1.0
279.07379	5.3
302.17703	0.9
314.96027	1.1
320.13013	5.4
320.18549	100.0
321.08597	7.1
321.18909	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	320.1494
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
55.01873	4.3
55.05512	0.3
57.17810	0.3
57.59414	0.2
58.68365	0.2
64.07388	0.3
67.05500	0.3
68.05009	0.3
68.29532	0.3
69.03421	1.4
69.07089	0.5
69.20879	1.6
70.06583	0.5
71.04987	0.8
79.05508	1.0
80.05034	0.6
81.03410	0.7
81.07075	1.3
82.06589	0.7
83.04986	0.5
84.08147	1.2
91.05487	1.1
93.07043	0.9
94.06554	0.6
95.04983	0.7
96.08127	1.2
97.06530	0.9
98.06055	0.4
99.04451	0.4
105.07011	0.6
106.06540	0.3
107.04942	0.4
107.08586	0.5
108.08130	0.5
109.06523	0.6
109.10181	0.4
110.06025	0.7
111.04451	0.7
117.07038	0.5
118.06528	0.5
119.08583	0.3
120.08105	0.5
122.09664	0.8
123.08046	0.6
124.07618	0.4
125.05983	2.8
129.07065	0.3
130.06494	0.6
131.07301	0.4
132.08076	0.8
132.82394	0.3
133.06537	0.5
134.09636	0.7
136.07585	0.7
137.05992	1.0
137.11952	0.5
138.12756	0.4
140.07124	0.4
140.97574	0.3
142.08553	0.3
144.08095	1.0
145.06503	0.3
145.08914	0.4
146.09624	0.6
147.08073	0.6
148.07558	0.9
148.11342	0.3
150.09148	0.4
158.06058	1.4
158.09630	1.1
160.07603	0.9
161.05957	0.4
162.09160	0.4
163.11217	0.3
164.07082	0.3
164.14526	0.3
170.09518	0.4
172.07593	1.2
172.11252	1.1
173.08316	0.4
174.09152	1.1
174.12787	0.6
175.07449	0.3
176.07097	0.3
177.05420	0.4
178.08607	2.2
179.07068	0.6
180.06569	1.1
182.09648	0.5
186.05565	0.5
186.09172	1.5
190.08624	2.7
194.08115	0.3
200.07100	0.4
200.10727	2.4
201.11243	0.4
202.12285	1.1
204.06543	0.8
204.10184	0.7
205.81139	0.3
210.09055	0.8
213.36555	0.3
214.08617	3.6
214.12270	0.8
215.09271	0.5
216.10345	0.3
218.08197	1.4
218.11819	0.6
220.09668	1.4
222.14914	0.8
228.10159	2.3
228.13794	0.8
229.11006	0.4
230.11678	0.4
232.09721	0.6
232.13431	0.8
238.12321	1.0
241.29037	0.3
246.11244	11.8
246.14932	0.6
247.11710	0.6
256.13309	3.2
274.14362	16.4
275.14728	0.8
276.16055	0.6
278.14008	0.4
284.12781	2.6
285.16830	0.5
292.15417	0.4
302.10428	0.6
302.13858	11.1
303.14276	0.5
320.14929	100.0
320.18372	7.0
321.15250	5.1
321.18939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1856
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
53.46736	0.1
55.05511	0.6
56.05034	0.3
67.01820	0.1
67.05506	1.1
68.05025	0.3
69.03425	0.3
69.05812	0.2
69.07058	0.3
70.06593	4.9
71.04991	0.4
79.05487	0.5
81.05761	0.1
81.07049	0.4
82.06585	0.9
83.01328	0.3
83.07359	0.8
84.08141	18.1
85.08481	0.3
91.05476	0.6
93.07040	0.8
95.04938	0.3
95.08601	1.5
96.08137	1.7
97.06586	0.1
97.08923	1.4
99.04449	0.5
105.07026	0.5
107.08596	0.3
108.08148	1.1
108.94540	0.1
109.06523	0.2
109.08906	0.5
110.09692	1.2
111.08092	0.1
117.07012	0.4
117.11710	0.1
119.08601	0.3
120.08086	0.3
121.06480	0.2
121.10152	0.2
122.08806	0.3
122.09666	4.3
123.10429	0.5
124.11208	0.8
125.06027	0.1
127.03912	0.5
128.03218	0.1
128.06215	0.1
129.06987	0.2
131.08514	0.3
132.08218	0.1
133.06473	0.1
134.09663	0.3
135.08075	0.3
135.10457	0.2
136.11218	2.8
137.06007	0.2
137.12007	2.2
138.12767	5.4
139.07556	0.2
141.05502	0.3
142.07765	0.2
143.08582	0.2
145.06516	0.2
145.10120	0.5
147.08127	0.2
147.11690	0.2
149.09612	0.2
150.12770	0.5
151.03902	0.2
153.05363	0.2
155.03403	0.6
155.07022	0.5
155.08376	0.1
157.10121	0.2
162.12776	0.2
163.07587	0.2
164.14351	1.1
165.05594	0.3
165.15132	0.2
166.15880	0.8
167.07060	0.2
175.11208	0.3
181.08647	0.2
183.06538	0.7
186.12799	0.2
190.12334	0.2
191.10757	0.2
192.13869	0.2
194.15373	0.9
204.13945	0.1
222.14888	12.6
223.15208	0.5
244.16959	0.4
246.14990	0.2
247.09769	0.2
260.16422	0.4
262.14194	0.2
276.19644	0.3
277.16745	0.2
292.19104	0.4
305.16214	0.5
320.18549	100.0
321.18903	3.4
321.22720	0.2
323.16949	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	320.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.05038	0.3
56.32082	0.3
66.92578	0.3
67.05505	1.4
69.03423	0.7
69.32025	1.2
70.06234	0.5
70.06593	4.5
71.04987	0.4
76.12675	0.3
79.05479	0.5
82.06577	1.2
83.07361	0.7
84.08142	21.1
85.08463	0.6
85.30334	0.3
91.05466	0.9
93.07036	1.1
95.04951	0.6
95.08607	1.0
96.08153	2.2
97.08937	1.5
99.04460	0.4
105.07076	0.3
107.08594	0.4
108.08112	1.2
109.06501	0.5
109.08926	0.4
110.09673	1.2
119.08548	0.6
121.06552	0.3
122.09670	6.3
123.10449	0.9
124.11245	0.7
127.03909	1.0
134.09709	0.4
135.08023	0.4
135.10449	0.4
136.11220	3.8
137.12012	2.9
138.12787	4.6
141.05415	0.4
147.11722	0.3
150.12769	0.6
155.03383	0.9
155.07045	0.7
163.07552	0.5
164.14357	1.3
165.05428	0.3
165.15111	0.4
166.15919	1.2
173.09679	0.4
175.11205	0.5
183.06517	1.3
191.10596	0.5
194.15453	0.6
204.13805	0.5
211.04170	0.3
222.14893	10.5
222.54343	0.3
223.15221	0.6
244.16989	0.7
260.16534	0.5
276.19580	0.7
292.19214	0.6
305.16406	0.5
320.18558	100.0
321.18884	6.1
323.78848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1856
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
55.00013	0.2
55.01857	0.2
55.05500	0.6
56.05018	0.5
57.71991	0.2
62.42918	0.2
67.05492	0.9
68.05034	0.3
69.03415	0.3
69.07059	0.2
70.06593	4.5
71.05021	0.5
79.05476	0.6
82.06577	0.7
83.01355	0.5
83.07336	0.6
84.08144	17.6
85.08465	0.4
90.60104	0.3
91.05473	0.6
93.07040	0.7
94.06571	0.2
95.08601	1.5
96.08125	1.1
97.08925	1.4
98.23546	0.4
100.80203	0.2
104.12844	0.2
105.07030	0.7
106.06547	0.3
107.08627	0.3
108.08120	0.8
109.08900	0.3
110.09679	1.0
117.07009	0.2
119.08543	0.6
120.08082	0.2
121.06534	0.3
121.10114	0.2
122.09667	4.5
123.08137	0.2
123.10452	0.5
124.11209	0.7
127.03909	0.6
129.07007	0.2
133.06473	0.3
134.09647	0.5
136.11221	2.7
137.12001	2.6
138.12778	5.0
141.05458	0.4
145.06508	0.3
145.10126	0.5
147.11699	0.2
150.12790	0.4
153.05466	0.2
155.03438	0.5
155.07047	0.6
163.13495	0.2
164.14337	1.5
165.05519	0.6
165.15158	0.3
166.15915	0.8
167.06938	0.3
173.09552	0.2
175.11108	0.4
181.08586	0.6
183.06549	0.9
192.13884	0.4
193.14532	0.2
194.15410	0.9
204.13948	0.4
222.14897	11.7
223.15306	0.5
236.16428	0.3
244.16949	0.5
246.14972	1.2
258.12393	0.2
260.16422	0.3
276.19614	0.6
277.16638	0.2
288.96985	0.2
292.19098	0.6
305.16220	0.6
320.18552	100.0
321.18900	5.8
321.22733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.02102	0.3
55.05499	0.3
56.05005	0.3
57.13603	0.2
64.23273	0.2
68.08205	0.3
69.03414	1.0
69.38087	1.4
70.06590	0.6
76.62717	0.3
79.05500	0.3
82.06567	0.4
84.08153	4.0
94.06557	0.4
95.08599	0.4
96.08122	0.6
97.06535	0.4
97.08894	0.6
107.01377	0.3
108.08099	0.4
110.09673	1.0
113.29475	0.3
118.55385	0.3
120.08060	0.5
122.09667	1.4
123.10440	0.4
125.05995	1.2
132.08142	0.3
134.09688	1.6
136.11224	1.1
137.11957	0.5
146.09718	0.4
148.11206	5.9
149.11989	0.5
152.10692	0.8
153.11450	0.3
160.11191	0.7
162.12775	0.4
166.08751	0.4
167.09142	0.3
172.11314	0.4
174.12737	0.4
176.14359	4.1
177.14963	0.4
182.11722	0.7
186.12906	0.4
192.13872	0.4
194.11835	0.3
194.15421	0.7
202.15689	0.3
204.13988	0.3
206.11815	0.4
218.11876	0.6
220.13257	0.4
222.14900	53.7
223.15257	2.7
228.13875	0.6
233.14201	0.4
246.14912	2.8
264.15991	0.7
274.18173	1.4
276.19559	1.0
292.19064	7.6
293.19257	0.5
302.17551	1.5
311.05527	0.3
320.18561	100.0
321.18872	6.9
329.53195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.05024	0.3
58.06613	0.3
67.05494	1.1
68.05029	0.5
69.05817	0.3
70.06596	5.0
71.04983	0.7
77.03891	0.3
79.05531	0.5
81.07040	0.4
82.06578	0.8
83.01351	0.4
83.07360	1.3
84.08144	20.1
89.96574	0.3
91.05473	0.6
93.07027	1.0
95.08604	1.1
95.24239	0.3
96.08139	1.8
97.08920	1.5
99.04453	0.7
102.11103	0.3
105.07012	0.4
107.04950	0.3
108.08105	1.0
109.08907	0.7
110.09679	1.2
119.08572	0.6
122.09664	6.1
123.10435	0.8
124.11208	1.0
127.03873	0.6
131.08565	0.3
134.09677	0.9
135.08005	0.4
136.11214	3.2
137.12044	2.3
138.12779	5.5
141.05438	0.3
145.10091	0.6
150.12773	0.6
155.03389	0.6
155.07024	0.6
164.14360	1.1
166.15906	0.8
172.48956	0.3
173.09604	0.3
183.06572	1.0
191.10803	0.3
192.13826	0.4
194.15437	0.9
204.13945	0.4
222.14888	12.0
223.15242	0.5
227.26411	0.3
244.16942	0.4
246.14952	0.3
260.16483	0.3
292.19144	0.3
305.16229	0.6
320.18558	100.0
321.18939	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	320.1859
Annotation	Chloroquine
Peak:m/z	Relative Intensity
53.56505	0.2
55.05515	0.5
56.05027	0.5
61.97840	0.2
67.05500	1.0
69.03420	0.3
69.05804	0.4
69.07067	0.3
70.06596	3.7
70.80299	0.3
71.05001	0.6
71.73122	0.3
79.05500	0.8
81.07053	0.8
82.06581	1.2
83.01357	0.2
83.07349	1.2
84.08144	25.1
85.08475	0.4
91.05477	0.9
91.11687	0.2
93.07041	0.8
95.04928	0.4
95.07281	0.2
95.08595	1.7
96.08131	2.0
97.06536	0.3
97.08924	1.6
99.04449	0.5
105.07036	0.9
107.08593	0.5
108.08140	1.5
109.06542	0.5
109.08903	0.8
110.09687	1.4
119.08566	0.7
120.08072	0.3
121.06496	0.5
122.09669	7.3
123.10457	1.0
124.11236	0.5
127.03884	0.3
129.06960	0.3
131.08571	0.4
133.06511	0.3
133.10022	0.3
134.09642	0.6
134.36783	0.4
135.10490	0.3
136.11220	4.0
137.06027	0.3
137.12007	3.9
137.63596	0.3
138.12784	4.1
141.05460	0.3
145.10109	0.7
147.08032	0.4
147.11603	0.5
149.05891	0.3
149.09627	0.2
150.12798	0.6
151.11096	0.3
155.03386	0.8
155.07043	0.9
162.80939	0.3
164.14337	1.5
165.05492	0.7
165.15170	0.4
166.15938	1.1
167.07014	0.3
169.90530	0.3
173.09651	0.3
175.11195	1.1
181.08517	0.4
183.06525	0.9
190.12314	0.3
191.10753	0.5
192.13742	0.4
194.15405	0.6
204.13828	0.7
216.13948	0.4
222.14890	9.2
223.15196	0.5
244.17039	0.8
246.14972	0.4
247.09497	0.4
260.16434	0.4
275.60321	0.2
276.19577	1.3
284.26175	0.2
292.19122	0.6
302.17642	0.4
302.26956	0.9
305.16232	0.5
318.17383	0.4
320.18558	100.0
321.19238	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	320.1859
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
53.29848	0.4
53.88961	0.3
55.05511	0.4
67.05511	0.9
68.05029	0.4
69.03418	0.8
70.06589	2.9
70.52096	0.6
71.04993	0.5
71.68999	0.3
79.05476	0.9
81.07040	1.0
82.06583	0.5
82.71123	0.4
83.07367	0.4
84.08140	3.5
85.02924	0.9
86.09708	0.5
87.38852	0.3
91.05509	0.3
93.07032	0.5
94.06594	0.6
95.04999	0.4
96.08141	0.5
97.02893	3.5
97.08908	0.4
98.03225	0.4
102.05547	0.3
104.36021	0.3
104.50661	0.3
105.07053	0.3
107.07392	0.3
107.08605	1.9
108.08138	0.6
109.10139	0.5
110.09680	0.4
116.07112	0.3
116.16359	0.3
117.06965	0.4
120.08083	0.9
122.09644	1.4
124.11221	0.7
125.09663	1.6
127.03810	0.4
134.09644	1.2
135.08049	1.2
136.07477	0.3
136.11218	13.5
137.06029	0.5
137.12048	1.7
146.09502	0.4
148.07526	0.7
148.11226	1.3
149.12003	3.9
150.12793	7.0
153.07338	0.3
153.08057	0.3
153.09082	2.1
155.07027	0.6
158.11765	0.4
170.83739	0.4
171.10132	0.3
172.40573	0.4
176.14330	0.7
178.12325	0.4
182.08089	0.5
183.08450	0.8
194.15421	0.6
199.09650	0.8
204.13800	2.3
207.08469	0.6
211.06194	0.5
222.14896	100.0
223.15298	5.1
246.14897	4.2
257.06473	0.4
276.19565	0.7
302.17270	0.5
320.18570	83.5
321.09885	0.4
321.18912	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	320.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85349	0.1
55.05500	0.5
56.05021	0.3
65.47229	0.2
67.05516	0.8
68.05030	0.3
69.03422	0.2
69.05791	0.2
69.73071	0.7
70.06593	4.4
71.04990	0.4
77.47802	0.2
79.05476	0.7
81.05773	0.2
81.07053	0.4
82.06570	0.7
83.01326	0.3
83.07351	0.6
84.08142	17.5
91.05489	0.5
93.07050	0.9
94.06571	0.2
95.04939	0.2
95.07317	0.3
95.08596	1.2
96.08125	1.7
97.08913	1.2
98.09721	0.2
99.04448	0.4
105.07022	0.7
107.08568	0.4
108.08103	0.9
109.06506	0.3
109.08884	0.3
110.09700	1.3
111.08138	0.2
115.91660	0.2
119.08593	0.4
122.09664	4.8
123.08002	0.2
123.10416	0.6
124.11224	0.6
127.03912	0.4
131.08569	0.2
134.09666	0.4
135.08020	0.2
135.10385	0.3
136.11209	3.1
137.12000	2.7
138.11748	0.3
138.12775	5.3
141.05476	0.4
142.07880	0.2
143.08551	0.3
145.10117	0.4
148.11263	0.2
150.12787	0.6
151.03896	0.3
153.05528	0.2
155.03387	0.7
155.07028	0.5
162.12782	0.2
164.14337	1.2
165.05493	0.3
165.15135	0.2
166.15878	1.1
167.07056	0.3
172.11253	0.2
173.09642	0.3
175.11122	0.4
176.92912	0.2
177.12727	0.2
177.15060	0.1
183.06589	1.0
191.10577	0.3
192.13860	0.3
194.15446	0.7
204.13797	0.3
204.17723	0.2
222.14879	11.9
223.15259	0.4
224.19904	0.2
244.16872	0.5
260.16519	0.4
262.14294	0.3
276.19577	0.6
277.16602	0.2
292.18988	0.5
305.16214	0.5
320.18549	100.0
321.18851	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	320.1857
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
55.01857	1.2
55.02102	0.3
55.05499	0.3
56.05005	0.3
57.13603	0.2
64.23273	0.2
68.08205	0.3
69.03414	1.0
69.38087	1.4
70.06590	0.6
76.62717	0.3
79.05500	0.3
82.06567	0.4
84.08153	4.0
94.06557	0.4
95.08599	0.4
96.08122	0.6
97.06535	0.4
97.08894	0.6
107.01377	0.3
108.08099	0.4
110.09673	1.0
113.29475	0.3
118.55385	0.3
120.08060	0.5
122.09667	1.4
123.10440	0.4
125.05995	1.2
132.08142	0.3
134.09688	1.6
136.11224	1.1
137.11957	0.5
146.09718	0.4
148.11206	5.9
149.11989	0.5
152.10692	0.8
153.11450	0.3
160.11191	0.7
162.12775	0.4
166.08751	0.4
167.09142	0.3
172.11314	0.4
174.12737	0.4
176.14359	4.1
177.14963	0.4
182.11722	0.7
186.12906	0.4
192.13872	0.4
194.11835	0.3
194.15421	0.7
202.15689	0.3
204.13988	0.3
206.11815	0.4
218.11876	0.6
220.13257	0.4
222.14900	53.7
223.15257	2.7
228.13875	0.6
233.14201	0.4
246.14912	2.8
264.15991	0.7
274.18173	1.4
276.19559	1.0
292.19064	7.6
293.19257	0.5
302.17551	1.5
311.05527	0.3
320.18561	100.0
321.18872	6.9
329.53195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
54.34357	1.7
55.01873	1.9
55.05507	7.6
57.03440	4.5
67.05505	10.9
69.03427	4.7
69.07069	3.3
70.06602	3.1
71.05013	1.9
79.05493	11.7
81.03410	32.4
81.07059	17.0
82.63213	1.6
83.04989	8.7
83.08624	9.9
84.08133	20.5
85.02901	5.1
91.05470	10.9
93.07059	7.6
95.04959	11.8
95.08618	6.6
96.08119	3.9
97.06573	2.5
97.10145	2.3
97.46431	1.6
98.22623	3.6
105.03280	1.9
105.07046	9.7
107.04948	4.2
107.08571	5.3
109.06479	2.3
109.10149	3.6
111.08087	7.3
119.08581	8.6
121.10139	5.0
122.09676	7.1
123.08109	1.9
123.11778	1.6
125.06002	1.8
127.03967	1.7
129.07027	3.9
131.08582	5.7
133.10118	6.5
135.08032	2.2
136.11201	3.0
137.11978	3.0
138.12775	11.3
147.11659	8.7
149.09605	2.8
151.11134	2.0
157.10149	6.4
164.14394	2.0
175.11154	10.4
193.12256	32.1
211.13278	39.0
222.14861	10.6
228.83931	1.7
246.15085	2.6
256.11652	4.0
257.10059	4.6
267.15994	6.5
274.14508	2.9
276.01102	1.8
285.16937	28.4
303.10516	6.2
320.09103	3.0
320.14914	19.8
320.18542	100.0
320.22253	15.8
321.18787	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	320.222
Annotation	Ankorine
Peak:m/z	Relative Intensity
51.47371	0.2
55.01873	1.4
55.05513	0.6
56.05030	0.3
57.03439	4.3
57.07088	0.3
67.01244	0.2
67.05512	0.6
68.05016	0.3
69.03436	3.5
69.03814	0.3
69.07085	0.3
69.51976	0.9
70.06602	0.8
71.04993	0.4
79.05489	1.5
81.07056	4.5
82.06580	0.5
83.04992	0.8
83.07363	0.3
83.44355	0.2
83.49763	0.2
84.08134	3.3
85.16166	0.2
86.06078	0.8
91.05486	0.9
93.07030	1.0
94.06592	0.7
95.04971	0.4
95.08606	0.5
96.08124	1.0
97.06524	0.5
98.06055	0.4
98.22762	0.5
99.04433	0.5
99.08128	0.3
105.07030	0.6
106.06558	0.5
107.04968	0.3
107.08595	0.4
108.08156	0.4
108.32040	0.2
109.06517	0.5
109.10148	0.3
110.09653	0.4
111.08059	0.5
112.07625	0.3
115.79765	0.2
117.07042	0.3
118.06561	0.5
119.07351	0.2
119.08575	0.4
120.08083	1.1
121.10172	0.3
122.09698	1.2
123.08089	0.8
124.11234	0.9
125.06007	0.8
125.09678	0.3
126.12798	0.3
127.06308	0.3
131.08577	0.4
132.08081	0.2
133.10197	0.3
134.09691	1.1
135.08066	0.3
136.11235	2.1
137.05981	0.4
137.09621	0.6
138.12804	1.6
139.07536	0.5
140.07076	0.9
144.08101	0.6
145.10100	0.2
146.06046	0.5
146.09624	0.5
147.11609	0.3
148.07564	0.8
148.11278	0.6
149.09610	0.6
150.09164	0.4
150.12810	0.4
151.11166	1.1
152.10739	0.9
154.08678	0.3
154.12282	0.9
156.08014	0.2
157.08882	0.3
158.06003	0.4
158.09689	0.6
159.08061	0.4
160.11209	0.2
162.09126	0.6
162.12798	2.2
164.10725	0.5
164.14352	0.8
170.11758	4.6
172.07526	0.5
172.11143	1.0
174.09206	0.3
174.12827	0.2
176.07111	0.2
176.10736	0.4
176.14333	0.6
178.08673	0.6
181.12183	0.3
182.09659	0.3
182.11766	0.9
184.13304	1.1
186.09109	0.4
186.12828	0.3
188.07037	0.3
188.10669	0.4
190.08643	0.6
190.12256	0.2
194.08153	0.3
195.10112	0.2
196.13356	0.4
200.10753	0.9
202.12247	0.3
204.13849	1.4
204.17451	0.6
205.18138	0.3
206.11728	0.2
207.13814	5.6
208.13275	1.5
214.08673	1.3
214.15881	1.3
218.11804	0.3
218.15341	0.3
218.19016	0.6
220.09682	0.7
222.14919	1.4
228.10263	0.5
228.13823	0.5
228.17445	0.3
232.13306	0.5
232.16872	1.9
233.17572	0.3
234.14882	0.5
238.12292	0.2
244.16936	0.3
246.11263	3.9
246.14851	1.4
246.18456	0.3
248.16460	0.4
256.13409	1.0
264.19571	5.1
273.18445	0.5
274.14352	4.7
274.17126	0.4
274.21573	0.3
276.16141	0.3
276.19348	0.2
276.23087	0.3
284.12851	0.7
290.21094	0.2
292.22772	1.0
302.13873	4.0
302.17383	0.4
302.21088	1.8
303.14328	0.3
320.14911	31.9
320.18591	15.6
320.22202	100.0
321.15585	2.3
321.18912	0.7
321.22427	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	320.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
55.05297	0.9
55.05513	9.9
56.05025	4.0
56.34531	0.8
57.03429	1.6
57.07081	5.9
60.04527	39.5
67.05505	17.2
68.05016	3.5
69.07069	12.3
69.44802	4.9
70.06584	2.8
71.04984	2.1
71.08631	3.4
73.02908	2.3
74.06094	1.5
79.05495	5.3
80.05026	6.0
81.06603	0.8
81.07058	18.5
82.06569	3.4
83.04980	3.6
83.08627	8.7
84.04483	3.5
84.08152	5.9
85.02923	1.3
85.10185	1.2
90.05547	1.5
91.05495	2.8
93.07046	8.9
94.06608	1.0
95.04939	1.4
95.08608	14.7
97.06524	3.6
97.10158	5.0
102.05543	54.5
103.03905	1.5
105.07009	1.6
107.08581	5.5
108.08121	0.9
108.29026	1.0
109.06517	2.2
109.10167	5.9
111.08116	1.1
111.11726	1.2
119.08640	1.2
120.06583	8.2
121.10139	5.8
122.09715	1.4
123.11670	2.6
127.40009	0.9
133.10156	1.2
135.11693	5.7
136.11169	1.1
137.13223	2.2
138.12798	1.0
149.13272	1.9
163.14886	1.0
165.33643	1.0
219.21007	2.6
222.14833	1.8
223.20596	1.1
224.23668	2.0
231.21159	1.5
237.22102	2.6
248.23723	2.6
249.22159	7.2
255.23100	1.5
266.24792	12.0
267.22885	1.1
284.25824	28.2
285.26334	1.4
302.26895	100.0
303.27258	5.6
320.18600	22.8
320.27945	75.7
321.18976	1.8
321.28284	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	320.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05510	1.7
57.06860	0.4
57.07084	4.7
67.05492	1.3
69.07071	0.7
69.71101	0.9
70.06600	2.8
71.08619	2.3
77.03916	0.5
77.13792	0.4
77.47146	0.3
79.05483	3.8
81.03432	0.4
81.07057	0.8
82.06571	1.1
83.07368	1.0
83.08617	0.5
84.08141	18.9
85.10187	0.8
89.06072	0.5
91.05476	1.6
93.07047	2.3
95.04973	3.0
95.08573	2.1
95.75691	0.4
96.08128	1.2
97.08914	1.1
98.22742	0.7
99.08104	0.5
105.04514	0.7
105.07009	1.1
107.08585	1.3
108.08101	1.6
109.06525	1.7
109.08887	0.6
110.09699	0.8
113.99557	0.4
117.07024	0.5
119.08597	1.3
120.08109	12.0
121.06506	0.8
121.08891	7.1
121.10175	0.6
122.09672	4.5
123.08077	0.5
123.10487	0.6
131.08644	0.4
134.09648	18.4
135.08075	0.4
135.10352	1.0
136.11224	3.1
137.08339	0.9
137.12021	2.3
138.12769	4.4
139.07509	0.4
145.10129	0.7
146.09663	3.0
147.10420	2.2
147.11615	0.8
148.11224	2.8
150.09137	0.5
150.12656	0.5
150.43491	0.4
155.03433	0.5
159.11629	0.5
160.11217	1.2
161.11963	0.5
162.12828	2.5
163.11237	0.4
164.14340	1.3
165.12746	5.1
165.14920	0.5
166.15869	0.6
175.11267	0.9
176.14354	2.2
179.14401	0.6
183.06573	1.0
190.15938	1.2
192.13782	0.6
204.17464	1.6
218.19086	2.0
222.14891	7.9
223.15211	0.4
232.20688	0.9
244.16925	0.7
246.22157	1.4
246.75478	0.4
260.16431	0.5
260.23761	1.0
270.68881	0.4
276.19501	1.1
289.21591	3.2
292.15576	0.5
302.28406	49.7
303.28683	4.0
320.18567	73.6
320.29453	100.0
321.18945	7.0
321.24261	2.9
321.29785	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	321.086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	1.0
56.96565	19.6
70.50282	1.7
74.97664	0.6
80.58215	0.7
84.08173	0.8
84.96037	10.4
93.60908	0.9
97.96822	1.4
98.97583	100.0
110.96794	1.4
110.97570	26.8
112.99117	3.6
116.98630	23.0
120.69121	0.8
124.99094	3.8
126.97054	2.0
128.98607	15.9
131.00148	1.8
134.99649	3.4
136.92906	0.8
137.53439	0.7
140.00162	0.7
140.98567	7.5
143.00171	9.9
144.93872	0.6
144.98109	5.1
146.99695	4.4
152.98598	13.4
155.00163	1.5
157.65988	0.7
157.98862	1.2
158.99655	17.5
159.03284	1.5
161.01244	3.2
162.99152	1.6
170.99648	10.3
174.99110	0.8
177.00677	10.0
177.04202	0.9
189.00706	3.7
195.01767	1.2
201.00702	5.2
213.04535	1.1
217.96152	0.8
219.01762	30.7
220.02139	0.8
237.02817	26.7
238.03391	0.8
261.06442	11.6
276.15955	2.4
279.07510	86.3
280.07913	3.4
294.16931	1.3
297.08557	12.7
302.09134	1.0
321.08560	87.3
321.18848	3.2
322.08838	3.8
322.16473	7.7
322.20120	1.7
339.09604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88866	0.5
54.65717	0.5
65.03945	0.7
67.05507	10.0
69.41457	2.3
70.06573	1.1
71.05007	0.6
72.75384	0.6
77.03921	1.1
79.05476	0.6
81.07045	0.6
84.08144	3.7
85.08447	1.2
91.05481	1.1
93.07027	1.1
94.06566	10.1
95.04958	0.7
99.67367	0.5
105.04518	0.5
108.08105	1.6
122.06031	32.2
122.09658	0.9
123.09991	1.0
136.07579	62.0
137.07899	1.8
137.11584	0.7
140.07039	1.0
164.07065	100.0
165.07465	2.7
178.83905	0.5
180.44484	0.5
182.08131	74.6
183.08482	2.0
222.14780	0.9
223.15262	2.1
258.11340	0.7
286.10938	0.7
304.11835	1.6
321.18890	27.1
322.19470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34749	2.2
55.01868	2.4
55.05522	11.1
57.07058	4.8
67.05505	99.5
69.07072	11.0
69.56877	7.0
69.57238	4.3
71.05010	2.8
79.05505	15.6
81.07059	100.0
83.08603	8.8
84.08150	15.3
85.08467	6.3
91.05464	4.1
93.07045	11.4
95.04978	2.5
95.08607	97.1
97.10184	6.2
100.06012	2.3
102.61634	2.1
105.07021	5.0
107.08611	9.1
109.10168	41.7
110.68553	2.2
111.11750	2.5
119.08604	5.4
121.10142	7.3
122.09679	2.1
123.08078	3.2
123.11702	21.6
127.49392	2.3
133.10130	5.0
135.11687	6.2
136.11197	4.4
137.09578	2.7
137.13222	10.5
139.13135	2.6
145.10097	3.0
147.11681	3.8
149.13173	3.2
151.14786	5.1
158.97426	2.2
159.11679	3.9
173.13223	2.8
187.14853	2.8
206.89270	2.8
219.17404	2.4
223.15280	7.0
248.16481	29.4
271.24133	3.1
289.25299	9.3
303.28717	2.6
321.18909	92.8
321.27548	21.2
322.16669	3.7
322.20114	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62769	0.2
56.96570	0.9
70.16660	0.3
70.16972	0.2
78.33064	0.2
82.99830	0.3
98.97584	6.6
101.00876	0.7
106.93033	0.3
110.54968	0.2
116.98637	2.3
119.01947	0.9
122.97768	0.3
129.89136	0.3
134.99655	0.7
136.11234	0.2
140.98813	0.6
158.99889	2.1
174.97708	0.3
176.97432	0.4
177.00952	7.8
178.01047	0.8
182.99844	2.2
201.00946	9.0
202.01105	0.9
202.93558	0.3
214.92026	0.6
216.98726	1.0
218.03688	0.5
219.02005	100.0
220.02118	10.4
220.91109	0.3
220.94615	0.3
221.02338	0.8
224.02438	0.3
232.93048	0.4
232.96657	0.4
234.99747	0.7
236.99496	2.3
237.97221	0.4
238.91946	0.4
238.93216	0.3
238.95444	2.6
239.95845	0.3
240.98753	0.5
242.03590	4.2
243.03802	0.6
248.16409	0.8
254.93378	0.5
256.93063	1.1
256.96771	7.4
257.96851	0.9
258.99731	3.5
260.00064	0.3
260.04694	0.6
261.03015	0.8
261.97159	0.3
262.95642	0.7
273.62747	0.3
274.94147	2.4
274.97699	1.1
277.00784	2.7
279.98190	1.1
280.96515	2.3
283.00067	0.3
286.48712	0.3
288.92059	0.3
292.95218	0.5
294.53940	0.3
297.99341	0.7
298.18701	0.3
298.97696	42.0
299.97800	4.7
301.01248	0.3
303.98578	0.3
316.95261	1.1
316.98657	0.5
321.18796	0.8
321.95816	0.4
321.99298	4.8
322.20187	2.8
322.99384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95547	1.1
66.77446	1.1
69.46101	5.1
70.06596	2.9
77.73593	1.0
84.08186	1.2
93.49369	1.1
98.22707	2.3
109.40254	1.0
115.08724	1.0
115.91683	1.0
120.08110	2.5
135.16875	1.1
141.52719	1.0
155.79318	0.9
175.12021	1.7
190.01248	18.6
322.05496	100.0
322.19321	4.9
323.05771	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	322.165
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
55.01872	1.0
55.05495	0.5
57.03435	0.3
68.05013	0.3
69.03431	0.9
69.21008	1.5
70.06595	0.3
71.05016	0.3
80.05023	0.5
81.07065	0.5
82.06566	0.3
87.04473	0.7
91.05492	0.3
94.06551	0.7
95.83712	0.2
96.08137	1.4
97.06522	0.3
98.06050	0.4
98.22713	0.6
105.07078	0.3
108.08101	0.8
109.06469	0.3
111.08061	0.7
117.70139	0.3
120.08126	0.6
122.09681	0.7
124.07583	0.5
125.05991	0.9
132.08058	0.5
134.09665	2.3
136.11240	0.5
142.08629	0.6
146.09662	0.6
148.11218	0.4
150.09119	1.8
162.09134	0.4
162.12816	1.1
164.10732	0.3
168.10237	0.3
174.12825	0.8
175.09972	0.3
176.10773	0.6
182.11848	0.8
188.10698	0.5
190.12271	1.4
202.12271	1.1
208.13301	3.4
210.14900	0.3
218.11705	0.3
220.13315	2.4
222.11270	0.8
224.12849	0.3
230.11784	0.7
230.15396	0.3
234.11327	0.7
246.14877	0.3
248.12827	9.7
248.16460	2.2
249.13425	0.6
258.14966	0.7
276.12280	0.7
276.15970	2.9
277.00595	0.3
294.16998	5.9
304.15485	0.9
308.93958	0.3
322.16486	100.0
322.19821	5.3
323.08859	0.3
323.13089	0.3
323.16812	6.0
323.20187	0.4
323.23203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91131	0.1
55.01863	0.6
55.05514	0.3
55.67049	0.1
67.05494	0.4
69.03424	1.7
69.26674	0.1
70.06587	0.5
71.04990	0.2
72.08140	0.2
72.77796	0.1
79.05499	0.5
80.05033	0.3
81.07053	0.4
82.06574	0.2
84.08128	0.2
91.05477	0.3
93.07019	0.2
94.06557	0.5
95.04935	0.2
95.08628	0.1
96.08163	0.2
97.06519	0.3
100.71724	0.2
105.07021	0.4
107.04971	0.3
108.07466	0.1
108.08144	0.3
109.10128	0.2
110.09679	0.7
111.08082	3.5
118.06496	0.2
120.08077	0.5
122.09655	0.9
124.07578	0.2
124.11201	0.2
125.05988	0.4
132.08089	0.5
134.09645	0.6
136.07541	0.2
136.11215	5.2
137.09470	0.2
139.07474	0.2
143.08524	0.2
145.10320	0.2
146.09648	0.3
147.10446	0.2
148.07681	0.2
148.11172	1.1
149.12021	1.0
150.09172	1.0
150.12782	0.5
152.10663	0.3
152.11833	0.2
160.11209	0.7
161.11990	0.3
162.12785	5.5
163.13524	0.1
164.10733	0.2
174.09169	0.2
174.12793	1.1
175.13536	0.4
176.10678	0.5
176.14365	0.5
182.11754	0.5
184.13322	0.2
188.10709	0.2
194.11795	0.3
202.12227	0.3
202.15921	0.5
204.13817	0.3
206.15424	0.3
210.14912	0.3
216.13786	1.0
220.13287	0.4
220.16968	0.3
222.14908	0.9
230.15375	1.1
233.11880	0.3
234.14891	3.3
236.16891	0.2
246.14879	0.2
248.16458	35.6
249.13820	0.3
249.16878	1.8
251.12781	0.5
258.18549	0.4
268.17078	0.2
270.60855	0.2
276.15942	1.6
276.19580	0.6
286.17926	0.3
294.17218	0.2
294.20581	0.5
304.15619	0.3
304.19028	1.4
322.16714	6.0
322.20105	100.0
323.16949	0.3
323.20453	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	322.2013
Annotation	Croomine
Peak:m/z	Relative Intensity
55.01868	0.6
55.05502	0.2
62.23878	0.1
67.05474	0.3
69.03420	0.8
70.06594	0.1
71.05014	0.1
79.05474	0.3
80.05000	0.2
81.07044	0.3
82.03580	0.2
87.68947	0.2
91.05444	0.2
93.07038	0.3
94.06560	0.3
96.08092	0.3
97.06530	0.3
97.44078	0.1
101.65487	0.1
102.51790	0.2
105.07033	0.3
107.08547	0.3
108.08134	0.3
109.10118	0.2
110.01492	0.1
110.09673	0.8
112.37527	0.1
112.88216	0.1
114.12417	0.2
119.08594	0.3
120.08104	0.4
122.09663	0.8
125.05959	0.4
125.09631	0.2
134.09602	0.5
135.10419	0.3
136.10190	0.3
136.11215	6.1
141.11226	0.2
146.09576	0.3
147.10402	0.2
148.07442	0.1
148.11220	1.0
149.11989	1.0
150.09135	0.5
150.12782	0.3
152.10692	0.2
160.11191	0.7
161.11975	0.2
162.12785	4.4
163.13507	0.5
164.10738	0.2
174.09126	0.3
174.12799	1.2
175.13568	0.2
176.10722	0.4
176.14287	0.5
182.11713	0.4
186.12598	0.2
188.10713	0.2
188.14308	0.2
194.11765	0.3
198.12839	0.2
202.12273	0.2
202.15862	0.6
204.13809	0.3
210.14922	0.5
216.13820	0.7
220.13380	0.2
220.16908	0.4
220.18997	0.2
222.12994	0.1
222.14891	0.8
230.15408	1.0
234.14877	0.5
246.14977	0.2
248.16454	39.1
249.16879	1.3
258.18494	0.3
267.03455	0.1
268.16888	0.2
276.19577	0.5
286.17947	0.4
294.20535	0.3
304.19046	1.7
322.20111	100.0
323.20456	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	322.2013
Annotation	Croomine
Peak:m/z	Relative Intensity
55.01865	0.5
55.05488	0.3
69.03400	0.8
69.28579	1.2
70.21149	0.2
80.05013	0.5
93.07028	0.3
94.06558	0.7
96.08110	0.3
105.07018	0.4
108.08096	0.6
110.09657	1.2
113.06107	0.3
119.08601	0.4
120.08215	0.3
122.09618	0.5
125.06008	0.6
129.06923	0.3
132.08138	0.3
134.09648	0.6
136.11217	7.0
137.11960	0.3
146.09663	0.5
148.11176	1.0
149.11964	1.1
150.09126	0.4
150.12752	0.7
160.11206	0.8
161.11981	0.3
162.09174	0.4
162.12793	5.2
162.80107	0.3
163.13519	0.3
164.10670	0.4
174.09138	0.3
174.12784	1.7
175.13524	0.5
176.10715	0.6
176.14328	0.6
194.11775	0.4
202.15895	0.3
210.14886	0.6
216.13812	1.1
220.13499	0.4
220.16995	0.6
222.14899	1.1
222.94536	0.3
230.15427	1.0
234.14902	0.7
248.16449	40.2
249.16879	2.8
256.87289	0.3
258.18515	0.6
276.19720	0.7
304.18951	1.4
322.20114	100.0
323.20468	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	322.2014
Annotation	Croomine
Peak:m/z	Relative Intensity
55.01875	1.3
55.05506	0.8
56.05026	0.2
57.07076	0.3
58.06585	0.3
61.15806	0.2
67.05492	0.4
69.03431	1.3
69.07079	0.2
70.06592	0.7
70.57427	0.4
71.04996	0.2
73.89704	0.2
79.05507	0.4
80.05019	0.5
80.76201	0.2
81.07047	0.6
82.06554	0.3
83.04970	0.3
86.06052	0.2
88.07609	0.3
91.05478	0.3
91.41386	0.2
93.07048	0.7
94.06565	0.5
95.08617	0.4
96.08125	0.4
97.06519	0.4
98.97583	0.7
100.07581	0.2
102.25414	0.2
105.07021	0.7
106.06561	0.2
108.08131	0.3
109.06544	0.3
109.10126	0.4
110.09685	1.2
111.08080	0.4
119.08538	0.2
120.08116	0.5
121.10155	0.2
122.09682	1.2
124.11230	0.2
125.05972	0.8
125.09641	0.5
127.07590	0.3
132.10201	0.6
133.10103	0.3
134.09637	0.6
136.11226	3.8
137.11565	0.2
146.09637	0.4
148.11211	0.7
149.11980	0.4
150.09134	1.3
150.12759	0.3
152.10713	0.4
160.11191	0.5
161.12064	0.2
162.09166	0.6
162.12762	0.9
164.10712	0.4
168.10216	0.4
172.11115	0.2
174.09128	0.5
174.12817	1.1
175.13493	0.3
176.10709	1.1
176.14272	0.3
178.12265	0.2
182.11772	0.6
183.12424	0.2
186.18547	0.6
188.10818	0.3
188.14426	0.3
190.12238	0.3
192.13875	0.3
194.11722	0.6
198.98891	0.3
202.12234	0.5
202.15900	0.7
204.13864	0.9
210.14899	1.1
216.13837	1.3
220.13353	0.6
220.16953	0.6
222.14928	0.7
230.15370	1.6
230.21097	0.9
234.14819	0.9
244.13303	0.2
248.16463	17.8
249.16699	1.0
258.18542	0.8
258.99786	0.5
276.19595	1.1
277.00800	0.4
277.19724	0.2
286.18127	0.2
294.17319	0.3
294.20645	0.6
304.19046	1.8
322.20114	100.0
322.25436	3.2
323.20502	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	322.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05511	0.2
56.05024	0.2
59.81113	0.1
67.05486	0.3
69.03433	1.3
69.07068	0.2
69.79868	0.5
70.06606	0.3
71.05004	0.2
79.05502	0.2
80.04996	0.3
81.07044	0.6
82.06578	0.2
83.04950	0.2
84.08120	0.2
91.05470	0.2
93.07027	0.4
94.06559	0.4
95.04913	0.1
95.08611	0.3
96.08128	0.3
97.06532	0.2
98.22720	0.2
99.04424	0.2
105.07019	0.4
106.06516	0.2
107.08588	0.2
108.08086	0.4
109.10134	0.2
110.09701	0.8
111.08082	2.3
119.08597	0.2
120.08099	0.6
121.10145	0.2
122.09682	0.9
124.07598	0.2
124.11227	0.2
125.05989	0.5
125.09619	0.2
132.08133	0.2
134.09697	0.6
135.10429	0.2
136.11223	6.2
137.11540	0.1
139.07518	0.4
143.08508	0.1
145.08809	0.1
145.89975	0.1
146.09630	0.2
147.10440	0.1
148.11237	1.4
149.11995	1.0
150.09151	0.7
150.12831	0.6
152.10658	0.2
157.10100	0.2
160.11234	1.0
160.61101	0.1
161.11969	0.3
162.09126	0.4
162.12787	5.2
163.13414	0.2
164.10674	0.2
168.10226	0.1
174.09171	0.2
174.12799	1.4
175.13550	0.6
176.10725	0.5
176.14331	0.5
177.05562	0.2
178.12283	0.3
180.13904	0.1
182.11772	0.4
186.12726	0.2
188.10674	0.4
188.14380	0.2
190.12305	0.2
192.13910	0.2
194.11749	0.2
198.12762	0.2
202.12305	0.2
202.15894	0.4
204.13783	0.3
206.11783	0.2
206.15419	0.3
210.14897	0.3
216.13902	1.0
217.62401	0.1
220.13313	0.4
220.16974	0.3
222.14897	1.3
223.15271	0.3
224.16473	0.1
230.15483	0.9
234.14818	1.1
235.15691	0.2
246.14862	0.3
248.16460	40.9
249.16861	2.4
250.17628	0.2
258.18600	0.3
262.14502	0.2
268.16980	0.2
276.15967	1.4
276.19611	0.5
286.18146	0.2
294.16766	0.2
304.15506	0.3
304.18951	1.3
322.16895	4.4
322.20114	100.0
323.16980	0.4
323.20441	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52710	1.4
51.62850	1.2
54.11412	1.2
55.05504	3.7
55.86995	1.1
56.03656	1.2
56.96580	1.9
57.07068	3.2
60.04522	1.6
62.06094	100.0
67.05505	16.2
69.07071	4.0
71.43223	1.1
74.58130	1.4
79.05502	9.5
81.07057	16.6
82.94563	2.8
83.08627	2.4
91.05484	5.5
93.07040	11.7
95.05016	1.5
95.08603	13.6
98.97607	7.4
104.99271	1.7
105.07047	2.3
107.08575	7.0
109.10170	5.2
116.98667	5.6
119.08607	2.1
121.10174	7.5
123.11715	2.5
131.08592	3.5
133.10129	3.1
134.99738	1.5
135.11688	3.0
145.10167	3.2
147.11693	1.7
159.11646	1.6
161.13251	2.3
163.14806	2.0
164.92053	1.6
173.13261	1.4
177.16371	2.9
203.37503	1.3
240.38637	1.2
243.21085	4.2
248.16446	3.8
258.99759	4.9
261.22171	5.6
277.00864	6.9
296.45343	1.3
305.24792	3.3
322.16620	4.9
322.20120	12.9
322.27432	22.4
323.27817	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01881	1.0
55.05510	6.6
57.03438	0.8
57.07074	1.3
60.04541	0.9
62.06089	100.0
63.06422	0.8
65.03942	0.5
65.39616	0.5
67.05504	16.7
68.05849	0.5
69.03429	0.9
69.07069	5.8
69.89195	1.2
70.02965	0.6
70.06580	0.7
79.05491	11.4
81.03416	0.6
81.07058	18.7
81.30990	0.4
82.07429	0.4
83.08617	2.8
84.08163	0.5
85.06516	0.6
91.05478	5.9
93.07046	11.6
93.07603	0.8
94.07419	0.5
95.04977	1.4
95.08608	13.3
95.09222	0.7
97.06506	1.0
97.10165	2.0
98.06068	1.0
98.22797	0.5
98.97587	0.9
105.07015	4.0
107.04955	0.4
107.08587	7.2
109.06483	0.5
109.10150	6.2
109.10878	0.5
111.08073	1.0
112.60741	0.4
117.07002	1.0
119.08595	2.3
121.06589	0.4
121.10136	6.1
122.09660	0.5
123.08058	0.8
123.11710	2.2
125.09644	1.8
130.15935	0.4
131.08571	2.8
133.10114	1.9
135.08128	0.6
135.11674	3.8
136.11241	1.9
137.09633	0.6
137.13286	1.0
145.10138	1.6
145.53600	0.4
147.11713	1.6
149.13248	2.6
158.11815	0.4
159.11740	1.3
161.05945	0.8
161.13303	1.4
162.12825	1.2
163.14857	1.5
170.01991	0.4
173.13319	1.5
175.14825	0.8
177.16399	1.3
187.14908	0.4
191.14307	0.4
198.15083	0.4
200.16428	1.0
203.08554	0.5
204.22705	0.4
210.14880	0.5
214.18138	0.8
215.46686	0.4
216.13918	0.5
223.13261	0.8
228.19749	0.6
231.08009	0.6
240.19499	0.6
243.21146	2.1
248.16455	13.2
249.16772	0.6
258.99832	0.6
259.07410	0.4
261.22174	3.5
273.18365	0.5
277.00574	0.5
291.10156	1.1
291.19513	6.5
304.26389	3.4
305.21088	1.1
305.24792	2.1
322.16534	2.4
322.20084	34.6
322.27298	11.5
323.12790	1.7
323.16934	0.4
323.20334	2.6
323.25528	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.2
61.74735	1.8
62.06095	100.0
63.39091	2.0
64.70290	2.0
67.05505	16.1
69.07066	6.3
70.06604	2.1
79.05489	13.0
80.94824	3.2
81.07056	16.2
82.94552	3.8
84.15096	1.9
86.43643	2.1
91.05483	5.1
93.07054	15.2
95.08596	10.2
98.22684	2.0
98.97575	11.0
105.07036	2.5
107.08599	6.6
109.10157	2.3
115.29796	2.0
116.98637	6.2
121.10147	7.9
127.04765	1.8
134.99655	4.4
135.11682	3.9
136.11241	3.2
149.13281	1.7
152.02910	2.0
163.94167	1.8
164.92082	4.3
166.01350	1.8
169.44255	1.9
198.98877	2.3
200.09651	2.1
248.16496	5.9
258.99695	9.6
277.00806	12.1
305.24689	19.3
306.25220	2.5
314.67303	2.0
322.16455	6.8
322.20105	15.6
322.27417	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14213	0.8
56.96572	6.7
71.44331	1.1
76.44016	1.0
93.40417	0.9
98.97584	100.0
99.97872	1.2
116.98625	48.0
117.98945	1.0
130.44702	0.9
134.99651	11.6
170.85893	1.0
178.01089	2.1
179.00667	1.0
180.97850	10.6
188.46533	0.9
196.56044	0.9
198.98894	13.0
219.02020	4.4
220.02051	7.6
221.01839	3.5
222.00542	1.0
240.98656	6.1
257.97760	1.1
258.99771	75.2
259.99875	3.9
261.03198	2.1
262.03085	1.1
277.00815	75.8
278.01093	4.9
282.01132	1.2
282.99963	1.2
295.02197	1.1
299.97845	2.9
300.02139	1.5
300.97748	1.4
301.01108	2.2
322.19983	2.8
322.61514	0.8
322.99173	4.6
323.20401	1.1
341.00058	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	323.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83609	1.1
54.90961	1.2
56.96292	1.3
56.96571	19.0
57.66803	1.0
69.03428	3.5
69.90440	2.8
70.06597	2.3
70.98110	1.5
71.05003	1.2
72.08173	2.7
84.08165	1.3
85.02916	3.4
85.08569	1.1
86.09705	1.2
97.02906	1.2
97.06572	2.6
97.87087	1.1
98.06011	1.0
98.22707	1.4
98.97586	100.0
99.97977	2.0
102.96909	1.7
110.97570	2.1
116.98631	49.6
120.08171	1.2
122.07198	1.4
125.06046	2.5
127.00697	1.7
127.03907	5.7
128.98615	2.9
130.93311	2.1
133.01570	1.2
134.99661	16.2
140.00237	1.3
143.00154	3.1
143.07063	3.0
143.95563	1.1
144.06569	3.8
145.01678	1.1
145.04979	5.1
153.00716	1.8
161.01213	2.3
161.08130	1.3
172.94307	2.0
173.01288	1.9
174.97632	6.3
175.97766	2.9
176.97456	1.4
177.00810	3.4
180.97830	4.2
188.97160	1.6
189.00659	1.5
189.98187	1.4
190.95491	1.7
191.02164	1.5
192.98708	4.0
193.00307	1.5
193.98985	1.2
198.98917	7.1
201.99376	1.1
202.98721	1.4
205.05478	1.2
207.01791	1.9
219.01895	3.0
224.97403	1.7
227.00777	4.0
227.04144	1.5
228.01099	4.2
232.96463	2.8
234.99448	2.2
237.02794	2.0
240.98793	5.2
242.98450	1.6
244.96492	1.7
245.01811	3.1
246.02121	5.1
246.99728	2.6
248.16484	2.2
255.00342	3.2
258.99768	62.0
259.99930	4.6
263.00638	1.5
263.03082	1.9
264.03064	4.1
264.99524	1.9
272.00281	1.3
273.01395	18.6
277.00809	62.5
278.00986	4.3
281.01605	2.0
282.99942	1.3
286.00345	3.3
286.97479	2.2
287.99988	1.9
288.49268	1.6
288.97495	2.3
291.02390	9.6
292.98874	1.4
297.00046	1.5
299.99847	5.8
301.00943	4.5
304.98450	6.1
308.50269	1.3
309.00540	6.6
309.50848	2.0
309.97861	2.2
317.00040	1.4
318.00439	10.5
318.93332	1.5
319.01926	12.6
322.16418	3.1
322.20126	6.8
323.06693	3.8
323.10953	6.1
323.16745	3.8
323.20126	4.0
324.18057	11.8
332.98178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59521	0.9
58.30077	0.8
59.27130	0.9
71.36538	0.9
71.56472	0.9
82.99867	1.0
94.93019	11.2
103.67531	0.9
112.89613	19.6
114.89352	11.4
116.89122	1.3
117.31725	0.9
143.01866	7.9
144.02089	1.0
155.01871	1.7
155.64551	0.9
161.02957	9.3
162.03006	0.9
173.02965	3.3
203.03990	5.8
206.88556	2.3
211.34154	0.9
233.05168	1.6
248.89656	21.4
263.06097	1.1
323.07382	100.0
324.07776	4.7
325.26929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01876	1.1
55.05524	1.1
62.06063	0.9
67.05512	1.3
70.72073	1.2
79.05498	2.0
81.07052	1.5
91.05486	1.8
93.07037	1.0
95.04996	0.8
95.08630	0.9
98.03162	0.8
99.40791	0.8
103.05458	2.3
105.07027	10.3
105.97080	0.8
107.04964	1.1
107.08563	0.8
109.06497	2.6
115.05463	4.5
116.98542	0.8
118.04204	1.0
118.97895	0.8
122.03649	1.9
128.06209	1.1
131.04939	1.7
133.06491	6.8
134.90718	0.9
137.04948	1.6
137.05981	24.8
139.46294	0.9
143.04915	1.0
143.06036	1.2
143.08401	0.9
146.03625	5.7
148.50122	1.0
148.64571	0.9
149.06018	1.3
151.07576	0.8
153.20038	0.9
159.08076	0.8
160.05046	0.9
161.05980	75.6
162.06348	3.1
165.07088	1.3
167.04918	1.5
171.08003	0.9
175.07559	1.6
179.62389	0.9
184.05255	2.5
189.06938	0.9
191.08522	3.0
192.09399	2.6
199.07541	13.5
202.07782	19.2
203.08559	28.9
204.09128	2.6
205.06540	3.2
213.06967	1.2
215.08575	2.0
219.08037	8.7
220.08820	10.4
221.09688	1.6
230.07253	3.6
231.08037	52.4
232.08635	7.9
233.06007	1.3
235.11049	2.0
237.09219	1.1
245.09644	1.7
247.07536	8.2
248.08333	23.8
249.08899	3.8
249.16617	1.5
258.06927	4.0
259.07553	38.5
260.08310	28.4
261.08920	2.4
262.09839	2.5
263.10699	21.1
264.11185	1.1
265.08646	3.4
273.09213	1.3
275.07077	4.7
276.07825	20.9
277.00641	0.9
277.08475	5.4
277.21555	2.7
280.10925	1.7
290.09378	0.9
291.10144	100.0
292.10687	9.4
293.08072	5.1
295.09390	0.9
295.13315	2.3
305.11548	1.0
308.10345	5.4
322.20337	1.1
323.12772	86.7
323.20551	6.5
324.13251	5.3
324.17377	0.8
326.17783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05496	1.1
55.81919	0.4
57.20860	0.5
67.05511	2.5
69.07063	0.5
69.14674	2.6
75.35436	0.4
77.02928	0.4
77.03964	0.4
79.05494	3.4
81.07069	3.1
83.04968	1.3
83.99469	0.5
86.63114	0.4
91.05497	2.7
93.07040	1.5
94.04176	0.8
95.04981	0.6
95.08614	1.1
103.05474	2.3
105.07033	12.1
107.04963	0.8
107.08587	1.2
109.06525	1.9
109.10144	1.8
115.05458	3.4
117.07067	1.0
118.04174	0.8
119.08600	0.5
121.06471	1.1
122.03644	2.2
123.11710	0.6
128.06210	1.3
129.07005	0.5
130.04056	0.5
131.04903	1.2
131.08586	0.6
133.06509	6.8
133.10175	2.2
137.05988	22.1
139.05397	0.7
141.06998	0.4
143.04962	0.5
143.06042	1.0
145.06541	0.7
146.03639	4.8
147.04398	0.5
149.05960	0.8
149.09615	0.5
151.07602	0.5
151.11165	2.3
153.07054	0.6
156.05736	0.6
159.08026	1.0
161.05984	72.7
162.06314	2.4
167.04881	1.3
169.06343	0.6
171.08070	1.2
175.07565	1.1
177.09137	0.5
178.07784	0.8
180.47244	0.4
184.05215	1.5
187.07608	0.5
189.07039	1.0
189.12881	0.4
191.08542	2.7
192.09348	2.6
193.12253	0.6
199.07549	10.9
200.07867	0.6
201.06837	0.6
202.07777	17.4
203.08556	26.8
204.09175	2.5
205.06438	2.9
205.10085	0.6
207.08064	0.6
213.06953	0.6
215.08543	1.5
218.07225	0.7
219.08052	7.7
220.08826	9.7
221.09546	1.7
222.06598	0.6
222.49393	0.4
229.06577	0.6
230.07275	3.8
231.08057	47.6
232.08716	8.8
233.06033	0.6
233.09520	1.1
234.06734	0.7
234.10123	0.4
235.07399	0.7
235.11250	2.0
237.09079	1.6
241.06497	1.1
242.07263	1.2
243.08205	0.6
245.09659	1.8
246.10252	0.7
247.07585	8.0
248.08334	21.6
249.06558	0.4
249.08850	3.0
249.16849	0.7
251.10648	0.5
258.06717	4.0
259.07556	35.6
260.08319	25.4
261.05566	0.8
261.08972	2.9
262.09882	1.9
263.10681	21.3
264.11035	1.9
265.08548	2.2
273.09137	1.1
273.18500	0.6
274.09802	0.8
275.07083	3.6
276.07825	18.3
277.08569	5.4
280.10974	1.3
290.09387	0.8
291.10159	100.0
291.19403	1.8
292.10703	10.3
293.08047	4.7
295.13303	3.1
305.11719	0.6
305.21301	0.6
308.10422	5.0
323.12787	80.0
323.20343	2.7
323.25790	1.0
324.13187	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	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.97694	2.3
55.01874	3.3
55.05516	3.7
55.92688	1.9
56.96553	2.7
57.03445	5.4
63.41556	1.9
67.05508	6.8
69.07058	5.2
69.19225	2.4
71.04980	3.6
79.05497	6.8
80.64242	2.1
80.94883	2.4
81.07045	7.0
82.94558	5.2
91.05463	11.0
93.07039	9.8
95.04974	4.3
95.08601	8.3
98.97586	29.3
99.04465	2.6
99.08080	2.7
105.07050	17.4
107.08595	5.2
109.06555	4.3
115.05437	3.5
116.98640	17.0
117.07030	2.6
119.08577	5.8
123.08053	2.8
128.06178	3.1
131.08589	2.8
133.06525	7.0
133.10143	2.5
134.99684	4.6
135.08072	3.3
136.11246	3.3
137.05989	27.0
137.09650	3.7
137.11546	2.4
145.10168	3.2
146.03659	4.8
151.11185	3.1
157.10199	3.1
161.05986	82.5
164.92108	7.9
171.11682	2.4
175.07460	2.1
180.97809	4.7
191.08585	5.4
198.06429	2.4
198.80055	2.3
198.98891	4.6
199.07607	10.7
202.07840	21.0
203.08556	26.9
205.06607	2.3
219.08066	8.6
220.08797	11.3
230.07355	4.2
231.08064	55.4
232.08672	8.3
247.07520	6.7
248.08316	27.0
248.16548	7.9
249.16765	18.5
249.23985	2.3
256.89767	2.2
258.06924	6.1
258.99802	19.5
259.07553	40.2
260.08301	26.7
261.05505	2.5
263.10684	19.0
265.08719	3.1
273.18442	3.8
276.07852	19.8
277.00861	22.2
277.08667	5.9
282.01416	3.2
290.09241	2.6
291.10168	97.9
291.19513	3.3
292.07788	2.3
292.10645	10.2
293.08032	7.2
295.13162	2.9
300.02457	5.1
305.21005	2.5
308.10599	6.1
322.20062	16.1
323.09100	4.7
323.12793	100.0
323.20581	50.2
324.13104	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	323.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33204	0.9
54.57614	0.8
55.05504	1.0
58.23474	0.9
69.07056	1.0
69.46310	4.5
79.05487	3.6
80.05008	0.8
81.05785	1.3
81.07041	2.8
90.15560	0.9
91.05513	0.9
93.07052	1.6
96.08130	8.5
97.06512	1.0
98.98546	1.0
100.22893	0.8
109.10185	1.9
122.06042	1.4
123.11735	1.2
124.07595	28.1
136.07578	60.8
136.30295	1.2
137.05925	1.1
137.07964	1.2
137.79031	0.9
138.09093	1.4
140.07034	1.6
164.07068	100.0
165.07437	3.7
182.08131	86.6
183.08446	2.3
230.60587	1.0
254.75931	0.9
307.90723	1.0
324.18106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01870	8.4
55.05517	7.3
57.03438	30.1
57.07075	1.4
58.29978	0.8
60.06304	0.7
65.03942	1.9
67.05507	32.2
68.09061	0.8
68.96040	0.7
69.03445	2.3
69.07057	3.7
69.48086	1.7
69.48476	1.9
71.04997	4.1
79.05493	16.5
81.03387	1.1
81.07060	23.3
82.94536	0.8
83.04987	5.7
83.08630	4.9
85.02908	2.1
85.06550	31.7
91.05486	11.3
93.07041	14.3
94.07412	1.0
95.04972	38.6
95.08604	9.4
97.06542	3.2
97.10187	2.3
98.22666	1.8
98.97592	5.2
99.04453	1.9
99.08084	1.4
105.07030	7.8
105.57160	0.8
107.04944	4.7
107.08591	9.6
108.53374	0.9
109.06520	31.5
109.10117	4.7
110.06883	1.1
111.04443	9.4
111.08059	4.3
113.06008	100.0
114.06388	1.6
115.05427	1.1
116.98657	2.6
117.07031	6.2
119.06150	0.9
119.08580	7.8
121.06528	3.5
121.10137	6.8
123.08090	3.9
123.11718	1.1
125.09652	1.0
128.06219	1.0
128.82784	0.9
129.07013	4.3
131.08577	8.0
133.10141	3.3
135.08054	23.4
135.11703	6.5
137.09590	0.9
141.06970	0.8
143.08562	3.9
145.10146	7.5
147.08057	3.4
147.11699	1.0
149.09631	3.2
149.13281	1.7
153.12726	4.5
157.10121	4.5
159.08121	1.1
159.11745	4.0
161.09630	4.8
161.13272	1.3
163.11198	6.0
164.92206	0.9
165.09120	1.0
165.12816	1.2
171.10074	0.8
171.11708	1.4
173.09610	1.0
173.13281	1.7
175.11232	1.5
177.12785	1.4
181.10104	1.0
181.12247	4.2
183.11653	1.3
185.13231	1.4
189.16800	0.8
191.10730	4.2
199.14885	1.7
201.12686	1.3
209.11736	1.0
217.15913	6.6
223.13402	0.9
227.12785	5.7
227.17949	1.6
227.81870	1.2
233.15427	1.7
234.42451	0.8
234.44821	0.9
237.16357	0.9
249.14821	1.5
255.17473	1.9
258.99741	3.8
273.18472	17.4
277.00827	4.3
291.19543	51.6
292.19897	3.5
305.20975	4.5
323.22446	1.0
324.19409	1.2
338.11240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01867	5.4
55.05515	38.2
55.05784	2.1
56.05851	1.5
57.03440	10.3
57.07074	3.6
59.05010	1.6
59.98520	0.9
61.36938	0.9
62.06092	20.3
63.06421	1.9
65.03957	2.6
67.05508	50.0
68.05814	0.9
69.03429	5.0
69.07069	31.6
71.05005	3.1
79.05492	21.3
81.03426	2.0
81.07060	46.2
82.07402	1.7
83.04991	2.5
83.08623	17.1
85.06539	2.0
86.66197	0.9
87.04442	1.1
91.05482	14.6
93.07044	18.6
95.04979	6.1
95.08607	31.5
96.08953	1.7
97.02919	4.4
97.06548	4.2
97.10167	19.2
98.97588	3.4
99.04504	1.1
99.08127	1.7
105.04501	1.4
105.07031	14.4
107.04959	3.3
107.08594	11.7
108.08932	1.4
109.06554	1.7
109.10158	15.5
110.10405	1.1
111.08103	3.6
111.11716	1.5
113.09633	0.9
116.98627	1.9
117.07006	4.6
119.08588	10.9
121.06507	2.3
121.10141	6.2
123.08092	4.2
123.11708	4.8
123.85539	0.9
125.09638	13.7
129.07011	2.3
130.07733	1.0
131.08551	4.6
133.06485	2.0
133.10110	6.9
134.99673	0.9
135.08075	3.3
135.11716	3.6
137.09648	2.3
137.13249	2.2
143.08540	2.0
145.10115	4.4
147.08069	4.1
147.11716	3.7
148.97316	1.1
149.09621	1.3
149.13304	3.3
153.09116	3.2
157.10167	2.0
159.11703	2.0
161.09659	1.6
161.13251	3.2
163.14873	1.5
165.09206	2.2
171.11667	1.9
175.11229	1.8
201.77025	1.0
203.12744	7.3
205.12280	1.3
221.11722	1.3
223.13306	11.2
227.12605	1.0
231.21107	1.6
237.14928	1.5
245.19226	1.7
248.16440	1.3
249.16861	5.3
249.22052	2.3
250.17616	1.0
255.17424	1.3
258.99838	3.3
273.18530	8.1
277.00928	1.6
277.21704	1.1
291.10620	2.2
291.19550	100.0
292.19836	6.8
305.21112	17.9
306.21201	1.2
323.08496	3.3
323.12646	2.8
323.16632	1.6
323.20544	15.0
323.25833	52.8
324.17987	2.3
324.26141	3.4
324.97397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.65939	3.0
55.01873	14.3
55.05512	42.0
57.03433	8.5
57.07062	5.9
59.04983	2.8
67.05160	5.3
67.05505	78.8
68.25498	3.2
69.03443	7.7
69.07059	24.1
69.09431	20.8
71.04983	6.0
71.08608	4.6
79.05505	52.5
81.03427	5.4
81.07059	95.2
83.01366	4.1
83.04978	49.9
83.08624	22.6
85.06555	11.8
86.79813	2.7
91.05478	58.0
93.06461	3.3
93.07049	64.4
95.04976	15.2
95.08609	40.7
96.44864	3.0
97.06519	12.4
97.10171	5.1
98.97577	10.4
99.08091	9.1
105.07035	57.4
107.04958	11.1
107.08597	50.5
109.06526	17.0
109.10158	60.5
111.04451	7.3
111.08124	14.8
116.98599	5.2
117.07010	10.5
119.08568	21.6
121.06545	14.0
121.10178	16.4
121.24335	3.2
123.04420	5.5
123.08066	11.1
123.11739	16.5
129.06966	6.6
131.08601	20.2
133.06485	16.4
133.10130	100.0
134.10429	4.0
135.08041	15.5
135.11691	13.0
137.09650	5.9
139.07536	9.8
139.29326	3.1
143.08556	9.1
144.22719	3.5
145.10135	11.2
147.08032	11.5
147.11717	8.9
149.09621	12.9
149.13298	5.5
151.11169	89.1
157.10100	6.6
159.08081	5.8
159.11702	8.3
161.09639	13.2
161.13301	5.2
163.11168	5.7
165.09074	5.3
171.11681	6.9
173.13341	2.9
175.11206	9.1
177.09152	12.3
177.12730	4.1
179.10698	14.6
181.08604	4.4
183.13828	29.1
185.13127	3.1
186.36134	3.3
187.11308	3.4
189.12814	4.1
193.12300	4.5
199.11137	4.7
203.14400	3.1
207.13817	4.5
211.13316	3.5
227.17815	4.6
229.14317	4.7
237.16519	3.2
245.18997	13.2
255.17505	5.2
258.99747	9.9
263.19980	15.0
273.18481	37.4
275.07449	2.9
277.00790	9.2
291.16650	5.2
291.19543	52.0
305.21194	23.2
323.22134	28.0
323.25854	9.7
324.18277	3.7
338.43884	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	323.2217
Annotation	Rapanone
Peak:m/z	Relative Intensity
52.37285	3.8
53.03948	7.6
53.07757	3.9
55.01880	12.5
55.05516	42.5
57.03433	11.0
57.57841	3.8
59.04994	4.4
67.05508	89.4
69.03437	10.6
69.07076	25.2
70.06595	5.5
71.08628	7.7
79.05494	52.2
81.07066	100.0
83.01345	4.4
83.04987	44.6
83.08613	13.9
85.06542	9.5
91.05480	61.5
93.07049	63.0
95.04980	20.0
95.08602	46.0
97.06570	8.3
97.10165	5.0
98.22694	8.7
98.97590	9.2
99.04487	6.0
99.08112	6.1
105.07028	56.7
107.04982	12.4
107.08595	53.0
109.06516	18.4
109.10167	56.3
111.04452	7.2
111.08096	13.9
112.40501	4.3
116.98597	4.8
117.07017	12.4
119.08569	18.6
121.06509	14.3
121.10149	17.9
123.08089	12.4
123.11732	11.4
125.06048	7.1
129.07024	9.9
131.08588	16.8
133.06496	17.1
133.10144	64.0
133.30128	4.9
135.08063	11.0
135.11693	11.8
137.05980	5.6
137.09630	9.2
139.07547	7.2
139.11227	4.0
143.08578	9.6
145.10106	10.3
147.08038	8.6
147.11693	10.5
149.09596	7.9
149.13254	5.5
151.11211	76.5
153.12750	6.2
159.08064	5.4
161.09662	12.4
161.13281	7.8
163.11234	5.7
165.09120	7.3
167.10609	4.7
171.11678	7.7
174.77985	4.0
177.09077	7.2
179.10658	14.5
183.13831	25.4
183.53026	5.4
189.12737	7.7
189.99992	4.7
203.14641	5.2
217.12212	5.4
227.17880	6.7
232.19786	4.1
245.19106	15.8
249.16785	29.3
255.17493	6.0
258.99869	10.6
263.20154	20.6
273.18405	35.1
277.00931	9.7
277.21634	8.5
291.10126	5.4
291.19528	77.8
292.19763	5.1
305.21204	14.4
323.08514	9.6
323.12744	8.8
323.16501	8.0
323.20593	57.9
323.26028	10.2
324.17926	7.9
324.28928	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.1
55.01878	6.1
55.05513	13.4
57.03440	4.3
65.03959	3.3
67.05506	38.5
69.07070	8.6
69.89507	4.3
69.89872	4.9
71.04982	10.8
76.98898	2.5
79.05493	39.2
80.94871	2.6
81.03417	30.7
81.06570	4.0
81.07056	82.3
82.94568	3.1
83.04974	12.0
83.08618	7.2
83.72027	2.4
85.02902	2.2
85.06551	9.2
88.13033	2.9
91.05486	22.2
93.07056	37.9
95.04967	14.8
95.08614	29.3
95.44051	2.7
97.06522	9.4
97.10161	4.0
98.97581	24.2
99.08060	2.7
105.07023	19.6
107.04961	23.9
107.08579	18.4
109.06521	42.0
109.10164	5.1
109.86179	2.6
111.04459	8.0
111.08073	11.2
111.70513	2.7
112.20229	2.9
113.06019	6.4
115.05414	2.5
116.98623	13.9
117.06993	15.4
119.08581	11.2
121.06503	10.7
121.10150	10.5
123.08048	14.1
125.09637	3.6
129.06978	4.0
131.08556	20.7
133.06491	4.2
133.10138	9.6
134.99669	5.2
135.08055	16.9
135.11685	21.6
136.11259	3.9
137.05986	6.9
137.09605	3.4
143.08598	3.5
145.06500	9.8
145.10133	9.3
149.09592	5.8
149.13283	13.2
153.09193	3.2
157.10141	3.9
159.08052	3.8
159.11688	22.6
161.06059	11.2
161.09605	3.9
163.11183	6.8
164.92068	9.0
167.10651	3.3
169.10213	5.5
171.11702	3.1
177.12744	26.8
178.69510	2.3
185.13257	2.7
187.11191	12.5
198.98973	3.2
202.07831	2.5
203.08598	4.5
205.12210	6.5
209.15346	9.3
217.15872	6.7
220.08769	2.7
221.15344	4.0
231.08072	11.6
232.08585	3.0
233.15599	2.7
240.98782	2.7
248.08302	6.9
248.16362	6.9
249.16803	21.8
258.99832	19.8
259.07709	7.0
260.08228	6.1
262.85547	2.6
263.10635	5.7
273.18549	22.1
276.07788	6.2
277.00873	21.6
287.45139	2.3
291.10193	21.9
291.19409	14.1
292.10474	3.2
293.08160	2.9
300.02173	3.0
305.21118	62.9
305.50726	2.6
323.09018	6.1
323.12692	24.1
323.22165	100.0
324.18185	5.2
324.22015	4.3
324.25223	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	323.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01861	3.6
55.05513	16.1
57.03433	2.9
57.07070	4.4
63.85936	1.0
67.05161	2.3
67.05506	41.7
69.03436	1.8
69.07068	15.2
69.30289	5.2
71.04990	3.2
71.08632	53.5
73.06548	1.8
77.03916	2.0
79.05490	38.0
81.03426	8.2
81.07059	53.3
81.44320	1.0
83.04988	10.7
83.08640	9.7
85.06541	3.7
91.05484	21.1
93.07046	54.9
95.04965	9.0
95.08607	36.8
95.58591	1.1
97.06536	10.1
97.10173	3.9
98.23443	2.4
99.08096	43.2
105.04532	2.4
105.07026	16.4
107.04971	6.7
107.08597	27.0
109.06512	3.1
109.10160	11.6
111.08047	1.5
113.09646	2.5
113.21384	1.1
117.07007	3.5
119.08583	13.4
121.10145	28.0
123.08030	2.7
123.11739	2.5
127.11193	2.1
129.06966	2.7
131.08580	4.2
133.10138	10.4
135.11694	33.5
137.09631	3.5
141.09106	3.9
143.08617	2.3
145.10112	3.8
147.11734	3.1
149.13263	11.9
151.11203	17.7
153.12759	2.5
157.10124	1.5
159.11693	3.3
161.13245	12.9
163.11168	6.3
163.13252	1.2
163.14821	2.9
165.12782	2.4
167.10632	2.1
171.11746	1.4
175.14841	2.3
177.12764	4.1
178.57178	1.2
179.14307	100.0
180.14638	3.6
180.89513	1.4
181.12254	1.5
185.13231	1.7
189.12727	3.8
193.15851	1.6
195.13864	2.7
199.14845	1.2
221.15494	2.2
231.21126	1.2
235.16927	4.7
241.19576	2.2
248.16498	1.2
249.16763	7.4
259.20581	6.1
277.21616	58.8
278.22037	3.6
323.08466	1.6
323.16843	1.6
323.20471	15.7
323.25995	2.6
324.18030	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	39.9
57.03437	6.2
57.07078	73.9
62.06079	7.2
62.54826	4.4
67.05498	20.1
69.07070	100.0
71.05007	6.8
71.08630	54.1
76.30289	4.7
79.05489	18.0
81.07058	65.2
83.04971	5.0
83.08625	61.3
83.09108	8.1
85.06538	6.3
85.10181	25.1
88.17890	4.3
89.84636	5.2
91.05476	6.3
93.07056	30.8
95.08602	74.5
97.06520	10.2
97.10165	53.9
98.97563	9.0
105.07008	25.5
107.08578	29.8
109.10143	47.2
111.08047	6.5
111.11725	26.7
115.05202	4.8
115.07574	8.8
116.98634	7.2
119.08575	24.2
121.10141	19.5
122.05254	5.2
123.08097	7.0
123.11687	24.9
125.09679	6.4
125.13277	21.3
127.07525	5.7
133.10144	24.4
135.11655	16.4
137.09615	11.1
137.13249	12.0
139.11147	6.3
139.14818	6.6
143.10651	6.9
145.10013	7.0
147.11659	17.8
149.13254	14.1
151.11195	13.7
157.12207	6.6
161.09602	44.7
161.13257	20.8
165.12759	16.2
171.13678	5.2
175.14813	10.6
179.14325	17.7
183.13789	6.3
189.16444	12.4
193.15987	5.8
197.15349	9.7
205.12242	27.1
263.27307	15.6
277.00757	8.7
287.27307	17.2
305.28360	13.6
323.23880	11.0
324.18054	9.9
324.32709	6.4
327.77747	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	323.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	61.9
57.07079	87.3
59.05590	5.3
63.41811	5.4
67.05510	35.1
69.07076	100.0
71.04980	5.2
71.08241	9.4
71.08627	62.7
79.05505	18.5
81.07066	60.8
83.04970	6.5
83.08623	74.0
85.06548	8.3
85.10183	27.2
91.05476	12.9
93.07054	24.2
95.08609	82.6
97.06543	19.1
97.10174	59.4
98.97594	13.9
105.07050	22.9
107.08604	34.9
109.10175	44.4
111.08118	10.4
111.11729	23.0
112.28855	5.0
115.07567	12.2
116.98607	8.9
119.08594	20.2
121.10155	24.3
123.08093	9.2
123.11731	22.6
125.13277	13.1
128.85513	4.8
129.09120	6.9
133.10149	30.7
135.11720	12.3
137.09657	11.3
137.13255	11.0
139.05377	5.5
139.11272	6.6
139.14839	5.9
141.09068	6.4
143.10680	5.3
147.11703	21.7
149.13298	7.3
151.11166	10.3
151.14799	5.2
153.12836	6.8
161.13286	19.8
165.12787	23.2
165.16525	5.8
175.14777	9.8
179.14305	32.3
183.13794	6.0
193.15938	10.0
203.18152	5.6
229.11751	5.3
231.20966	5.6
239.66052	4.7
258.99683	6.8
263.27402	10.6
277.00919	8.6
287.27454	11.1
305.28369	9.2
307.26151	7.4
323.20273	8.9
324.18057	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	324.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
56.96563	2.0
67.01863	2.7
69.03432	28.9
69.16426	4.2
70.03776	1.0
70.06601	7.2
71.04990	4.6
81.07065	1.2
84.08139	0.9
85.02895	5.2
88.77385	0.7
88.77944	0.6
95.08608	0.6
97.02904	2.0
97.06528	0.8
98.50381	0.6
98.97579	3.2
99.04461	11.6
111.08099	3.6
116.98613	0.9
122.09658	0.8
124.11224	0.6
125.09606	0.6
127.03915	100.0
128.04245	2.6
134.09666	1.1
145.04964	46.5
145.07567	2.9
145.17897	0.6
146.05298	1.3
155.00243	1.1
156.96582	0.7
162.05560	0.9
162.12991	0.7
163.08681	1.7
168.10173	0.9
173.01237	1.3
174.97673	2.1
182.11702	0.8
192.98778	1.3
194.11813	1.8
222.03108	0.7
227.00789	4.2
243.00264	0.8
244.96439	0.9
245.01808	2.9
250.14372	1.9
255.00294	5.6
262.97342	0.8
273.01337	23.9
274.01462	2.0
278.17535	2.7
282.99976	0.7
291.02353	10.8
292.02576	1.2
296.18542	3.5
301.00851	6.3
306.16949	3.2
319.01849	17.7
320.02170	2.2
324.18042	72.6
324.21356	3.0
325.09039	1.0
325.13901	3.4
325.18341	4.3
342.99936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58157	0.3
53.03935	1.0
55.01868	2.3
55.05508	1.9
57.03433	1.1
59.01357	0.5
61.02906	1.0
67.01862	0.5
69.03427	6.1
69.38020	1.3
69.38431	1.0
70.06586	2.1
71.04992	2.8
79.05505	0.6
81.07064	0.7
84.08136	0.7
85.02904	10.3
85.06529	0.8
86.06049	0.8
91.05454	0.4
93.07042	1.0
94.06574	1.0
95.04990	0.5
95.08625	0.9
96.08116	1.8
97.02890	3.1
99.04458	15.9
101.02372	0.6
105.06998	0.6
106.06516	0.5
107.08607	0.5
108.08118	0.6
109.02861	0.7
110.09719	0.5
111.08076	7.5
112.07600	0.4
115.03929	0.4
117.13625	0.4
119.08602	0.9
120.08080	1.2
122.09667	1.6
124.11169	0.6
125.05935	0.5
127.03915	61.9
127.07566	5.1
128.04240	1.2
130.06631	0.4
134.09636	1.6
135.10388	0.4
136.11226	1.8
138.09158	1.2
139.07579	0.8
145.04958	77.6
146.05298	1.7
148.11258	0.6
150.09119	2.0
162.05536	0.9
162.12778	1.0
163.05925	0.5
164.10696	0.6
168.10164	1.9
170.11812	0.8
176.10667	0.7
180.13846	1.8
182.11775	1.4
184.09715	0.5
198.35382	0.4
202.12383	0.5
204.13882	0.7
208.13336	15.9
209.13667	0.6
220.13347	1.1
222.14847	0.8
223.28914	0.4
224.12828	0.8
232.13399	1.1
236.16481	1.5
238.14304	0.5
249.74467	0.4
250.14377	13.3
251.14767	0.8
260.16336	0.6
278.17581	2.0
288.16061	0.4
296.15344	0.5
296.18585	1.3
298.05984	0.4
306.17035	5.4
324.18076	100.0
324.21643	12.2
325.04581	1.0
325.18405	6.1
325.21863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1804
Annotation	Alloxydim
Peak:m/z	Relative Intensity
52.99368	0.3
54.35004	0.3
55.01840	1.1
55.05489	0.3
65.16080	0.3
67.05491	0.6
69.03078	0.3
69.03420	4.7
70.02331	0.5
70.06566	1.2
71.04997	2.3
79.05468	0.7
80.05008	0.8
81.07044	0.6
84.08121	0.8
85.02857	1.2
87.72897	0.3
87.73515	0.3
91.05443	0.6
91.84947	0.4
93.06994	0.7
94.06567	0.6
95.08579	0.5
97.02854	0.7
98.22754	0.5
105.07005	0.4
106.06541	0.6
107.08541	0.4
110.07171	0.3
111.08077	22.2
112.08428	0.5
117.29001	0.3
120.08059	1.2
122.09666	1.7
125.05952	0.7
127.03887	0.6
127.07572	0.5
134.05063	0.6
134.06009	6.4
134.09656	5.5
136.11172	0.4
138.09114	0.4
139.07524	1.3
150.09116	1.6
156.99498	0.3
157.08589	0.4
160.11212	0.4
162.05492	13.1
162.09093	0.4
162.12741	0.7
166.87889	0.3
168.10211	2.2
180.13828	10.4
181.14134	0.5
182.11765	1.2
190.12375	0.5
194.11800	0.6
208.13319	79.0
209.13635	2.7
232.13362	1.4
233.14021	0.5
238.14540	0.5
250.14352	2.3
251.15141	0.5
260.16611	0.4
262.17899	0.3
278.17490	2.2
279.54163	0.3
284.48868	0.4
296.18549	0.6
306.16980	10.9
306.20483	0.5
307.17209	0.6
324.18063	100.0
324.21631	10.2
325.18369	6.1
325.21930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1807
Annotation	5-Hydroxy-9-methylstreptimidone
Peak:m/z	Relative Intensity
55.01870	1.0
55.05510	1.1
63.51576	0.4
65.28697	0.4
67.05511	0.5
69.03432	21.0
69.07073	0.9
69.79243	1.1
70.06591	1.9
71.04996	2.7
74.43630	0.4
79.05491	1.4
80.05020	3.0
81.07060	2.7
83.04979	0.7
84.08125	0.6
85.02887	2.3
85.06540	1.0
86.06061	2.3
87.04491	0.5
91.05491	1.4
93.07037	1.2
94.06564	2.2
94.40674	0.4
95.04975	0.9
95.08598	0.6
97.02919	0.6
97.06523	1.1
98.06055	1.1
98.42309	0.4
99.04454	1.0
100.07706	0.5
105.07028	1.6
108.08122	0.4
109.06521	1.1
110.09657	0.9
111.08085	67.6
112.07691	0.5
112.08427	1.9
115.03976	0.4
115.07572	0.9
115.71496	0.4
119.08584	2.1
120.08099	0.5
122.09676	6.5
124.07593	1.6
125.05979	0.6
127.03900	2.2
127.07551	3.7
130.11534	0.4
134.09682	1.0
136.11243	0.7
138.09135	1.1
139.07547	5.3
140.10799	0.5
145.04922	2.5
145.08621	1.6
147.11707	0.7
148.07594	0.4
148.11253	0.4
150.09158	6.4
152.10719	0.9
157.08669	3.1
157.09831	0.6
159.38716	0.4
162.09161	0.7
165.17685	0.4
168.10202	8.2
175.11218	1.1
176.10637	0.4
180.13867	0.6
182.11769	4.5
194.11635	0.5
204.13861	0.5
208.13365	0.8
220.13341	0.9
222.14894	0.5
227.22249	0.4
232.13365	0.7
250.14351	3.7
260.16547	0.6
262.18127	0.4
278.17520	5.2
280.18954	0.8
294.17044	0.7
296.18549	0.5
306.16986	37.2
307.17288	2.7
324.18094	100.0
324.21716	12.4
325.18387	6.5
325.21875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1959
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
59.62109	0.4
61.70168	0.4
63.93824	0.4
67.05518	0.6
69.03433	0.5
71.04992	0.5
71.46183	0.5
77.03913	0.7
78.65349	0.5
79.05491	16.8
80.05836	0.7
80.46585	0.4
91.00224	0.4
91.05495	0.6
93.07018	2.0
95.04967	1.5
98.97583	0.7
100.07607	0.7
103.05469	35.3
104.05809	0.9
105.04525	1.2
105.07033	3.0
107.04952	20.0
108.05304	0.9
118.06532	4.3
121.06483	0.9
131.04933	11.3
132.08086	1.8
133.08855	1.2
133.10002	0.5
134.09660	0.6
146.09669	1.7
149.05975	0.9
160.11267	0.9
176.14345	44.7
177.14708	1.9
190.49269	0.4
233.14149	0.5
242.56783	0.4
280.13620	1.0
315.75409	0.4
324.19577	100.0
325.19901	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	324.2899
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03945	0.2
55.05513	5.6
57.03428	0.3
57.07075	1.2
60.04525	0.6
62.06092	100.0
63.06433	0.6
65.03950	0.5
67.05507	14.4
69.07072	5.3
69.86258	0.4
70.02972	0.4
71.08663	0.5
79.05496	3.1
81.07059	14.2
82.07430	0.2
83.05011	0.2
83.08628	2.5
85.06565	0.2
88.03971	0.2
89.78562	0.2
91.05485	2.5
93.07050	3.6
95.04958	0.3
95.08610	11.2
97.06506	0.9
97.10175	1.4
98.06081	0.8
98.22763	0.3
99.04502	0.2
99.05556	0.2
99.08070	0.2
105.04568	0.2
105.07029	1.8
107.08586	1.9
107.44518	0.2
109.06548	0.2
109.10170	4.0
111.08118	0.4
111.11752	0.4
113.09628	0.2
119.08590	1.6
121.10158	1.7
123.08054	0.2
123.11705	1.9
125.09566	0.2
130.08670	0.3
133.10107	1.5
135.11711	0.6
137.13257	0.8
144.10182	0.4
147.11720	0.8
149.13245	0.6
151.11214	0.3
151.14847	0.4
156.57747	0.2
160.67133	0.2
161.13246	0.9
163.14832	0.6
165.16391	0.3
172.13351	0.3
175.14886	0.7
179.18013	0.7
200.16492	0.2
214.18089	0.3
228.19740	0.2
245.22661	1.9
263.23734	1.6
306.27902	2.9
307.26212	3.7
324.08707	0.2
324.18027	0.6
324.28970	17.0
325.29459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01875	10.8
57.03438	10.8
61.02926	5.0
61.47997	0.9
69.03430	40.3
70.73206	0.9
70.73519	1.1
71.01355	0.9
71.04988	1.8
73.02923	5.9
81.03421	4.3
83.01368	0.7
85.02905	100.0
86.03271	1.1
87.04491	1.0
91.03970	0.9
97.02897	30.4
99.04461	8.4
101.02390	7.6
103.03963	0.9
109.02859	5.3
111.08127	1.4
115.03958	4.3
127.03915	67.4
128.04292	1.7
133.05103	0.9
145.04961	44.3
146.05341	0.8
163.06018	8.6
195.82338	1.0
234.14992	1.2
308.18457	2.3
326.19586	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01871	2.2
57.03433	3.0
57.24835	0.3
59.62240	0.3
61.02909	1.2
64.89787	0.3
69.03429	16.6
69.93884	0.9
71.01344	0.9
71.04990	5.4
73.02898	1.1
77.00029	0.3
79.05480	0.4
81.03418	17.6
82.03730	0.4
84.77476	0.3
85.02892	5.1
87.04430	0.4
91.05470	1.0
97.02885	1.1
99.04460	7.3
109.02877	0.7
116.05001	0.5
117.05505	1.6
118.06538	4.0
119.08569	0.3
124.08322	0.3
127.03945	1.6
135.04427	0.6
145.04950	0.9
145.06502	0.6
145.07594	6.6
147.08037	0.4
147.09167	7.9
148.09563	0.4
159.09164	0.4
162.07890	1.2
163.03893	2.7
163.08688	1.2
168.10364	0.3
173.07108	11.4
174.07448	0.3
175.08670	6.0
176.09161	0.3
190.07500	0.3
191.08145	100.0
192.08501	3.9
201.05513	0.3
203.08127	0.4
205.09753	0.8
211.46967	0.3
233.09166	1.3
243.11284	0.5
267.14389	0.4
271.10736	0.7
289.11847	1.5
290.00604	0.3
307.12854	30.3
308.13171	1.8
325.13928	28.6
325.21716	2.0
326.14236	1.6
326.19644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2376
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03944	2.7
55.01875	8.1
55.05516	27.6
57.03445	7.1
57.07087	7.7
59.04991	2.9
67.05506	32.8
68.86711	1.3
69.03445	9.0
69.07077	21.1
69.09903	5.0
69.10322	4.4
71.04991	4.2
71.08626	2.7
73.06556	1.9
79.05499	27.0
80.05807	1.5
81.03413	2.2
81.07059	37.6
82.07406	1.3
83.04986	4.3
83.08621	11.0
85.02921	12.1
85.06532	4.6
85.10184	3.0
86.36506	1.2
87.70921	1.4
91.05479	21.1
93.07051	23.5
95.04987	7.2
95.08610	28.5
97.02899	3.5
97.06522	9.5
97.10176	5.3
98.23457	2.6
98.97584	2.7
99.08101	3.0
105.07021	18.3
107.04970	3.5
107.08602	19.5
109.06530	9.8
109.10166	14.0
111.08087	6.2
113.06026	2.6
113.09678	2.5
117.07047	8.7
119.08600	14.8
121.06490	5.9
121.10172	12.0
123.08081	6.6
123.11724	5.2
125.06031	2.5
125.09663	2.9
127.03931	10.8
129.06995	2.4
131.08549	11.1
133.10126	16.8
134.10507	1.5
135.08092	7.5
135.11685	10.0
137.09634	5.4
139.07524	2.1
145.04956	4.8
145.10172	6.4
147.08026	2.2
147.11682	9.8
149.09630	6.3
149.13255	4.5
151.11247	4.4
157.10120	3.8
159.11699	5.1
161.09587	1.7
161.13275	3.0
163.06184	1.4
163.11214	5.2
165.12767	3.3
167.14346	1.8
169.10115	2.1
173.13293	4.8
175.11191	3.1
177.12769	4.3
179.14319	4.6
183.13844	3.2
187.11272	1.4
187.14801	1.9
189.16426	1.5
191.14317	3.1
193.15967	2.4
195.13849	1.9
203.41078	1.4
205.09343	1.4
205.15875	1.8
207.17477	3.5
215.18018	1.5
223.13387	1.8
229.19507	3.5
235.16969	2.5
239.18025	3.3
247.20505	3.3
257.19006	4.5
261.22141	6.8
263.20178	9.0
275.20071	22.3
276.20514	2.0
279.00659	1.8
279.23129	5.3
289.21671	6.9
293.10648	1.9
293.21060	3.9
295.22659	2.0
307.22693	100.0
307.25827	3.8
308.23077	5.9
325.23746	6.1
325.27402	12.4
326.15875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65184	0.8
55.01865	1.8
55.05512	10.1
57.03422	2.1
57.07085	2.0
67.05506	10.5
69.03431	3.3
69.07073	9.4
69.20759	4.5
71.04984	1.2
71.08634	14.0
79.05496	6.2
81.03450	1.3
81.07054	9.9
83.04982	2.2
83.08626	5.5
84.05019	0.8
84.13564	1.0
85.02479	0.8
85.02908	5.6
91.05493	3.6
93.07053	4.9
95.04967	3.5
95.08604	6.6
97.02917	1.2
97.10179	9.0
99.08105	7.6
105.07025	2.3
107.04952	2.8
107.08576	4.3
109.06548	1.4
109.10140	2.8
111.08060	1.5
111.11757	1.3
121.06512	4.3
123.11721	1.2
125.09618	5.1
127.03918	2.6
131.08594	1.4
133.10117	1.7
135.08037	2.4
135.11687	1.1
145.04965	2.3
149.13249	1.5
153.09119	1.2
164.12065	1.4
177.12714	2.4
203.12877	2.2
228.78801	1.0
275.20035	4.6
277.31128	0.9
279.00931	0.9
279.23270	1.3
293.21100	100.0
294.21414	6.3
298.67239	0.9
303.82703	1.0
307.22736	14.5
325.27307	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	325.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.0
55.01874	14.5
55.05515	55.5
57.03449	17.2
57.07071	15.8
59.05022	4.5
62.06093	20.4
65.03938	3.1
67.05508	81.3
69.03426	12.3
69.07072	62.3
69.07449	4.2
69.92401	10.4
71.04999	8.0
71.08634	25.6
72.04510	4.0
79.05499	43.0
81.03414	7.8
81.07060	100.0
83.05005	10.8
83.08627	40.4
85.02917	15.3
85.06557	9.9
85.10197	6.5
91.05489	38.8
93.07043	49.2
95.04989	23.0
95.08610	63.0
96.30568	3.1
97.02923	4.6
97.06562	12.8
97.10165	19.9
99.08104	19.0
105.07039	32.0
107.04964	16.1
107.08607	37.7
108.31046	3.0
109.06555	10.1
109.10159	43.3
110.10508	3.4
111.08097	9.9
111.11759	5.1
113.09655	5.5
117.03417	3.3
117.07034	10.0
119.08590	15.1
119.79028	3.1
121.06522	8.8
121.10168	23.4
123.08052	6.1
123.11699	16.5
125.09618	13.9
127.03949	7.2
131.08572	16.1
133.10136	55.9
135.08104	7.4
135.11684	20.0
137.09662	6.4
137.13193	4.3
145.04987	3.9
145.10149	13.1
147.11707	11.9
148.52299	3.0
149.09625	15.2
149.13251	11.9
151.11211	41.1
152.11588	3.9
152.14316	3.1
159.11713	9.1
161.09583	4.3
161.13268	4.3
163.11191	13.5
163.14825	3.4
165.12833	4.6
173.09590	3.3
173.13287	5.1
177.12782	13.6
179.10715	6.6
181.12238	5.1
183.12183	2.8
183.13776	17.1
195.13818	9.4
205.12299	3.9
219.13899	3.3
229.14413	4.4
229.19608	7.4
239.17871	4.7
247.20645	14.0
257.18961	10.6
265.21591	7.5
275.20041	71.4
293.21127	54.6
293.24362	4.9
307.22690	34.0
325.18198	4.4
325.23645	9.8
325.27206	59.4
326.19507	3.7
326.27756	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01873	39.2
55.05513	75.4
57.03437	25.5
57.07082	25.6
59.05004	4.2
67.05505	93.7
69.03424	9.4
69.06712	4.9
69.07072	84.7
69.17049	16.8
71.04992	10.2
71.08628	15.3
79.05492	55.2
81.03421	8.6
81.06579	4.9
81.07061	100.0
82.00947	2.6
83.04990	15.3
83.08625	54.7
85.02914	10.7
85.06534	11.2
85.10144	5.4
91.05482	39.5
93.07052	59.9
95.04977	22.9
95.08611	73.8
97.02882	6.1
97.06541	15.3
97.10168	26.0
99.08103	7.1
105.04507	3.0
105.07037	37.8
107.04955	13.2
107.08598	45.5
109.06525	11.4
109.10169	46.0
111.04459	6.1
111.07392	2.6
111.08053	13.3
111.11742	4.4
113.09649	6.3
117.07030	14.5
119.08604	23.5
121.06495	11.1
121.10147	25.9
123.04404	2.8
123.08071	15.4
123.10806	2.9
123.11687	16.3
125.09631	42.8
127.03927	7.4
131.08586	14.4
133.10127	44.7
135.08086	9.2
135.11702	21.7
137.09624	19.0
137.13280	3.5
137.83502	2.9
139.11166	6.0
141.09122	3.7
143.08566	3.2
145.04898	2.9
145.06487	3.9
145.10109	18.1
147.08073	4.1
147.11687	8.9
149.09662	12.6
149.13260	8.5
151.11188	43.4
151.14745	4.1
152.11450	4.1
153.09100	3.8
153.12781	3.2
157.10133	3.4
159.11711	7.1
161.09541	3.4
161.13321	3.4
163.11168	17.0
163.14876	5.2
165.12770	4.7
167.10733	5.5
167.14304	2.9
169.12172	2.9
173.13161	3.6
177.12793	12.4
179.10759	2.7
181.12210	6.2
183.13805	9.7
187.11130	6.4
189.12697	3.0
191.14310	4.6
195.13824	6.1
201.12788	6.4
229.19466	4.5
233.22612	4.3
242.11646	2.8
247.20480	12.5
251.23720	3.6
257.18982	11.7
265.21674	9.6
275.20090	56.9
289.21817	4.0
293.21106	58.4
293.24347	3.1
307.22745	21.3
325.23730	9.6
325.27356	97.8
326.27386	5.5
326.30585	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	326.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01668	0.5
70.06721	1.1
71.95747	0.5
77.15301	0.5
80.83990	0.6
98.98469	15.6
101.00879	3.5
109.29327	0.5
112.95018	0.5
113.08891	0.7
119.01923	4.0
120.01964	0.7
137.02843	0.8
140.98732	0.9
158.99911	2.7
159.99951	1.1
174.99152	2.5
176.99529	0.7
177.00952	11.1
178.01086	4.1
179.00632	0.9
181.96814	0.6
182.99881	0.8
193.50246	0.6
198.97760	0.6
199.97879	2.3
200.97647	1.2
201.00977	4.2
202.00980	1.6
216.98993	0.6
217.03998	1.3
217.99066	8.9
218.98820	3.1
219.01990	18.5
220.02141	7.1
221.01773	2.8
223.97908	2.1
225.00854	2.3
226.00914	1.1
235.00000	2.1
236.00072	8.9
236.99701	3.6
240.98996	1.2
241.99017	14.0
242.98779	5.9
243.01985	13.6
244.02107	4.5
245.01730	1.0
250.99931	0.6
258.99985	4.0
260.00104	33.2
260.99911	12.9
261.03027	100.0
262.03186	32.4
262.06061	1.2
263.02902	6.5
265.98831	2.9
266.98654	1.9
267.55350	0.6
274.98688	1.0
275.98550	0.7
277.01053	1.5
278.01144	12.5
279.00876	5.7
282.99915	5.4
284.00104	94.9
284.99792	43.8
285.04901	1.5
301.00995	5.7
302.01160	98.0
303.00885	45.7
303.05667	4.1
304.05600	2.2
320.02313	4.4
321.01901	2.0
325.02618	1.3
326.01135	9.3
327.00870	4.7
344.02246	38.9
345.01947	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	326.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73302	1.0
53.03935	2.8
55.01867	3.6
57.03431	4.4
61.02927	5.4
69.03433	27.6
70.06592	1.5
70.52253	1.8
71.04975	3.3
73.02914	3.8
80.05008	1.5
81.03419	14.7
81.07057	1.3
85.02908	81.1
86.03245	2.1
87.00838	41.5
91.03975	1.3
95.04979	1.5
97.02898	27.0
98.98473	98.7
99.04467	11.7
105.01875	75.5
105.02620	1.3
108.04480	1.9
109.02879	20.1
111.08086	6.8
115.03945	1.9
116.99570	1.3
117.01808	1.9
127.03919	56.4
128.04298	1.5
129.01837	1.9
136.99438	1.0
138.09193	1.4
145.04968	33.1
159.02869	8.8
166.12247	2.8
174.99234	13.9
189.03969	4.0
213.03979	2.7
223.58182	1.1
228.83221	1.0
231.05022	18.4
234.14972	5.3
235.64769	1.1
249.06007	8.9
250.14258	1.4
251.00053	3.0
252.15994	1.1
268.15402	1.3
280.19156	7.3
292.07571	1.3
308.18576	13.4
326.19608	100.0
327.19949	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	326.1961
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
50.42831	0.4
52.14474	0.3
69.03429	9.0
69.58290	1.6
70.06586	3.9
71.04994	0.7
79.05475	0.7
80.04985	0.5
81.07049	1.3
94.70853	0.4
95.04979	0.4
96.08130	1.1
98.98472	1.4
100.66540	0.4
108.32944	0.4
110.09671	1.1
111.08076	44.9
112.08396	1.2
122.09682	1.0
139.07544	1.0
150.09140	0.6
168.10240	0.7
170.11705	0.7
180.13850	0.8
206.15405	6.7
208.13356	1.4
234.14871	35.2
235.15237	1.0
280.19086	6.2
290.17502	0.8
308.18533	49.4
309.18808	3.2
326.19598	100.0
327.19940	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
55.05514	1.0
59.75419	0.4
67.05502	0.9
69.03427	6.8
70.06594	2.4
70.24084	0.9
71.05003	2.2
79.05489	1.5
80.05022	5.7
81.07052	1.5
82.06590	0.8
85.02908	1.7
91.05478	0.9
93.05816	0.4
93.07033	1.2
94.06564	6.1
95.04986	0.8
95.08605	1.8
96.08140	1.0
97.02909	0.8
98.22796	0.5
98.98470	35.0
100.07638	0.6
105.07043	1.9
105.11549	0.4
107.08537	1.0
108.08140	0.8
109.06519	0.5
110.09667	0.7
111.08085	23.3
112.08438	0.4
117.06995	0.4
119.08546	1.1
120.08080	0.6
122.09675	11.2
123.08103	0.7
124.07589	0.5
124.11234	0.5
125.05979	0.5
127.03901	1.3
128.07069	0.6
129.07021	0.4
132.08136	0.4
133.96935	0.4
134.09644	0.5
136.11244	0.6
145.04974	0.9
150.09143	17.1
151.09464	0.9
152.10666	2.0
160.11214	0.7
162.09174	0.5
164.10681	0.8
164.14273	0.4
168.10204	17.5
169.10619	0.7
170.11867	0.6
174.99248	4.3
176.14412	0.5
178.12216	0.6
188.14346	1.1
193.37910	0.5
203.10941	0.6
204.13788	0.5
206.15355	4.7
208.13341	1.3
216.13838	1.1
220.13374	0.7
232.13544	0.5
234.14896	42.7
235.15259	2.0
250.14359	1.2
251.00043	0.8
252.15953	0.8
262.18042	6.5
268.15393	2.0
272.16382	0.6
278.17520	0.5
280.19086	3.2
290.17502	4.4
294.16849	0.6
308.18561	35.3
309.18811	2.3
326.19614	100.0
327.10529	1.2
327.19925	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	326.2326
Annotation	Broussonetine W
Peak:m/z	Relative Intensity
55.01864	0.7
55.05508	0.3
56.05030	0.7
58.06586	0.3
58.78624	0.3
59.04998	0.6
67.05496	2.0
68.05013	0.3
69.03428	0.7
69.07082	0.4
70.06604	0.6
71.44627	0.4
76.98808	0.3
79.05492	1.8
80.05013	0.4
80.13156	0.3
81.07061	1.9
82.06576	0.7
84.08143	0.9
91.05482	1.4
93.07037	1.3
94.06567	0.7
95.04984	0.5
95.08603	1.3
96.08126	1.3
97.06512	0.3
98.09672	0.4
98.98466	22.6
105.07038	1.4
107.08555	1.4
108.08137	0.8
109.10160	0.7
110.09682	2.7
111.08069	0.4
116.35876	0.3
116.99500	0.3
117.07005	0.6
119.08568	1.0
120.08096	0.4
121.10141	0.3
122.09665	0.8
123.08038	0.3
124.11234	0.5
125.05986	1.1
125.09592	0.4
131.08577	0.5
132.08105	0.3
133.10092	0.8
134.09647	1.4
135.08109	0.3
136.11209	1.0
138.09154	0.4
140.10698	0.5
145.10098	1.2
146.09639	1.0
147.11659	0.7
148.11183	0.5
149.11983	0.6
150.09155	0.7
150.12743	0.6
154.12271	0.7
160.11208	2.7
162.09077	0.3
162.12798	3.3
162.86856	0.4
164.14316	0.6
173.13246	0.4
174.12770	0.5
174.99239	3.3
176.14310	0.7
188.14357	1.0
190.15884	0.7
194.15407	1.8
196.13344	0.4
198.14844	0.3
202.15869	1.7
208.17006	0.5
216.13870	1.7
218.15358	0.6
220.16960	27.1
221.17361	1.5
236.16467	0.7
248.16391	1.5
248.20171	0.4
250.17992	1.6
251.00008	0.8
258.18552	0.9
262.18137	0.4
268.19138	0.8
276.19577	2.1
280.19028	0.5
290.21164	1.0
294.20627	10.3
295.21005	1.0
308.22183	33.3
309.22549	2.1
326.23233	100.0
327.23572	6.9
327.27374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2327
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
54.12322	0.1
55.01800	1.2
55.02089	0.2
55.05442	0.9
56.04964	0.7
57.03365	1.5
57.03666	0.2
59.04928	1.2
59.05241	0.3
65.95347	0.1
67.05422	2.1
69.03350	0.9
69.06992	0.5
69.11794	1.0
70.06511	0.8
71.04915	0.6
72.08094	0.3
79.05487	1.6
80.04928	1.3
81.06969	1.2
81.07466	0.3
82.06496	1.1
83.04935	0.2
83.08546	0.2
84.08054	0.8
85.06454	0.5
91.05479	1.0
91.87730	0.2
93.05732	0.2
93.07048	1.4
94.06571	2.6
95.07278	0.3
95.08505	0.7
96.08130	1.5
97.06519	1.5
97.08863	0.4
98.09643	0.3
98.45341	0.1
98.98464	7.2
100.07626	0.8
105.04375	0.1
105.07033	1.1
106.06470	0.6
107.08597	1.0
108.08026	0.5
109.06458	0.2
109.10054	0.7
109.59937	0.2
110.09677	2.3
111.08099	1.3
112.07514	0.6
112.11241	1.1
115.07463	0.5
117.06925	0.5
119.08495	0.6
120.08073	1.2
121.08820	0.2
121.10038	0.6
122.09656	1.4
123.07992	0.2
124.07507	0.5
124.11228	3.5
125.05981	2.2
125.09533	0.7
126.09108	0.3
126.12756	0.3
127.11205	1.0
129.06920	0.2
131.08485	0.3
132.07986	0.6
133.10083	0.3
134.09645	3.5
135.07990	0.2
135.10336	0.5
136.11212	2.5
137.11897	0.2
138.09081	0.3
138.12718	0.3
140.10594	0.6
141.32410	0.1
142.12238	0.3
145.10043	0.7
146.09654	1.3
147.10364	0.3
147.11525	0.4
148.11201	3.0
149.11935	0.4
150.09164	1.8
150.12785	1.3
152.10594	0.4
152.14290	0.1
159.10341	0.2
159.11588	0.2
160.10016	0.2
160.11208	3.0
161.11716	0.3
162.09105	0.3
162.12782	11.1
163.11156	0.2
163.13481	0.9
164.10622	0.3
164.14227	0.6
168.10077	0.4
173.11922	0.3
174.12752	0.8
174.99208	1.2
175.11131	0.1
176.10559	0.4
176.14256	0.3
178.12187	0.5
180.10123	0.3
180.13603	0.2
182.11772	0.4
182.15286	0.3
188.14326	1.9
190.15878	1.0
191.16196	0.2
192.17363	0.2
194.11700	0.2
194.15398	0.9
196.13223	0.6
200.14247	0.3
202.15884	1.0
203.16100	0.2
206.15346	1.2
208.13316	0.3
208.16879	0.2
216.13734	0.4
218.15340	0.9
220.16954	14.8
221.17253	0.7
230.18913	0.2
234.14861	1.4
236.16470	2.0
248.16431	3.2
248.20117	0.5
249.16769	0.2
250.18008	4.4
250.99992	0.2
251.18106	0.3
258.18393	0.7
266.17584	0.2
268.19070	3.7
269.19382	0.3
276.19553	1.8
280.19009	0.3
281.87808	0.2
285.90820	0.2
290.21130	1.6
294.20624	5.5
295.20947	0.4
308.18692	1.4
308.22162	21.2
309.22476	1.5
326.23227	100.0
327.23587	7.0
327.26791	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	326.2324
Annotation	Broussonetine W
Peak:m/z	Relative Intensity
55.01875	1.2
55.05511	1.7
56.05037	0.6
56.14330	0.2
57.03453	0.2
58.06592	0.4
59.04992	0.6
67.05502	4.3
68.05022	0.4
69.03429	1.9
69.07057	0.6
70.04419	0.4
70.04750	0.2
70.06595	1.3
71.04987	0.5
74.06086	0.3
77.01614	0.2
79.05489	3.7
80.05010	0.8
81.07059	3.1
82.06568	1.5
83.04996	1.0
84.08119	0.9
85.06573	0.3
86.09690	0.2
87.12648	0.2
91.05471	1.7
93.07039	3.0
94.06564	1.5
95.04964	0.4
95.07356	0.4
95.08604	1.9
96.08133	3.1
97.06519	0.6
97.10181	0.2
98.09670	0.3
98.98462	31.2
99.04450	0.4
100.07610	0.7
105.07037	1.9
106.06528	0.4
107.07368	0.2
107.08588	2.4
108.08114	1.5
109.06503	0.5
109.08951	0.3
109.10161	1.0
110.06022	0.2
110.09673	8.6
111.08073	4.4
112.07558	0.2
112.27927	0.2
116.99497	0.5
117.06998	0.4
119.08558	1.1
120.08112	0.7
121.10147	0.7
121.55589	0.2
122.09660	2.1
124.07579	0.2
124.11221	1.3
125.05977	0.9
125.09626	0.5
126.09119	0.3
131.08566	0.6
132.08078	0.3
133.10118	0.9
134.09619	1.1
134.73108	0.2
135.08028	0.3
135.10413	0.2
136.11220	1.7
137.09540	0.2
138.09158	0.2
138.12755	0.2
140.10745	0.4
143.08562	0.3
145.10110	0.5
146.09631	0.2
147.11681	0.6
148.11189	0.8
149.13290	0.2
150.09149	1.8
150.12720	0.5
152.10680	2.8
154.12280	0.5
157.10097	0.2
159.11685	0.5
160.11220	0.8
161.13354	0.2
162.09201	0.4
162.12735	1.1
164.10670	0.4
164.14326	0.5
166.12260	0.3
168.10202	0.7
173.13225	0.4
174.12764	0.7
174.99213	4.0
176.14314	1.0
178.15860	0.3
180.13762	0.2
182.11752	0.9
182.15497	0.2
184.13306	2.0
185.13655	0.2
188.14372	0.6
194.11765	0.3
194.15398	1.6
196.13286	0.9
198.14902	0.5
202.15891	1.9
204.13638	0.2
206.15331	0.9
208.13460	0.3
214.14333	0.9
216.13783	0.3
218.15393	0.2
220.16948	19.6
221.17299	0.9
222.14937	0.3
234.14882	2.6
235.15240	0.2
248.16278	0.3
248.20222	0.3
250.18018	0.4
251.00038	1.0
258.18570	0.5
262.17975	0.3
276.19534	2.6
277.19748	0.2
280.19034	0.7
290.21127	1.6
294.20627	7.0
295.20947	0.5
308.18594	3.9
308.22131	36.1
309.19095	0.3
309.22479	2.6
326.19681	8.0
326.23196	100.0
327.19983	0.5
327.23511	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	326.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05488	1.0
56.05019	1.1
57.03429	1.5
59.04989	1.9
62.21188	0.4
66.12263	0.4
67.05509	2.6
69.03421	2.0
69.07056	0.5
69.48844	1.7
70.06583	1.0
71.04987	0.9
72.08160	0.5
73.06570	0.4
79.05489	1.7
80.05016	1.0
81.07054	1.6
82.06574	1.0
84.08118	1.1
85.06527	0.6
91.05487	1.2
93.07035	1.5
94.06575	2.5
95.08572	0.7
96.08118	1.9
97.06524	1.5
98.09681	0.5
98.98467	30.6
100.07618	1.1
105.07015	1.2
107.08567	1.0
108.08099	0.9
109.10134	0.8
110.09673	2.0
111.08080	5.2
112.07605	0.6
112.11231	1.0
116.99588	0.5
117.07034	0.7
119.08570	1.0
120.08102	0.9
121.10147	0.7
122.09660	1.7
124.07609	0.6
124.11229	4.3
125.05977	1.8
125.09649	0.7
127.11193	0.7
131.08588	0.5
132.08080	0.8
134.09666	3.1
136.11237	3.2
137.12035	0.6
140.10649	0.6
143.08574	0.5
145.10074	0.8
146.09657	1.3
147.10432	0.6
147.11653	0.6
148.11205	3.2
149.11940	0.6
150.09148	1.8
150.12729	1.3
160.11205	3.3
162.09256	0.4
162.12785	13.0
163.13367	0.8
164.10728	0.5
164.14325	0.7
174.12744	1.0
174.99226	4.3
178.12250	0.8
182.11722	0.8
182.15509	0.6
188.14369	2.3
190.15929	1.0
194.15488	1.0
196.13425	0.4
202.15875	1.1
206.15338	2.0
216.13889	0.5
218.15512	1.0
220.16956	16.1
221.17352	0.7
234.14900	4.7
236.16441	1.7
248.16438	4.1
250.18025	5.1
251.00023	0.9
266.17639	0.4
268.19028	3.9
276.19534	1.5
280.19058	1.0
290.21097	0.8
294.20633	6.1
308.18539	5.0
308.22144	21.6
309.22549	1.2
326.19641	10.3
326.23212	100.0
327.20010	0.6
327.23511	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	326.2327
Annotation	Broussonetine W
Peak:m/z	Relative Intensity
55.01878	0.8
55.05510	1.3
57.03443	0.6
57.24645	0.3
58.06605	0.6
59.04991	0.9
67.05504	5.6
69.03441	1.2
69.07060	0.6
69.12249	1.6
69.24635	0.3
70.06593	1.6
71.04990	0.4
71.89649	0.3
72.08125	0.4
74.06127	0.3
77.01568	0.4
79.05481	2.0
80.05025	1.0
81.07060	2.5
82.06594	1.6
83.08628	0.7
84.08160	0.9
85.02917	3.0
86.09712	0.7
91.05483	1.3
93.07039	2.0
94.01368	0.3
94.06572	1.4
95.07354	0.4
95.08597	1.5
96.08128	2.3
97.02891	0.5
97.06538	0.7
98.09665	0.3
98.98466	82.0
100.07629	0.4
101.06007	0.6
101.09653	0.4
105.07027	2.0
107.08582	1.7
108.08109	1.4
109.10169	0.9
110.07184	0.6
110.09668	3.7
111.08121	0.8
116.78689	0.3
116.99516	1.3
117.07066	0.4
119.08618	0.8
120.08121	0.6
121.10155	0.6
122.09650	1.5
124.11219	0.5
125.06009	0.6
125.09718	0.3
126.09134	0.5
127.03897	0.6
131.08585	0.6
132.08136	0.5
133.10103	0.8
134.09634	1.2
135.08043	0.4
136.11244	1.2
140.10815	0.3
142.04886	0.3
143.08607	0.5
145.04962	1.2
145.10115	1.1
146.09677	0.9
147.11681	0.7
148.11227	1.1
150.09146	1.5
150.12770	0.6
152.10724	0.8
154.12262	0.6
159.11720	0.6
160.11211	1.6
162.09174	0.5
162.12779	1.6
164.14340	0.5
168.10222	0.5
173.13335	0.4
174.12802	0.8
174.99229	11.5
175.00774	0.5
176.14331	1.6
182.11765	1.1
184.13298	0.3
188.14340	1.1
190.15880	0.5
192.13908	0.3
194.15427	2.1
196.13371	0.9
198.14882	0.8
202.15924	2.7
214.14417	0.6
216.13818	1.0
218.15439	0.4
220.16962	31.9
221.17322	1.8
234.14838	0.8
236.16533	0.5
248.16518	1.1
250.18004	1.2
251.00099	1.7
258.18597	0.6
268.18936	0.4
276.19583	1.6
282.33139	0.3
290.21097	1.6
294.20612	8.4
295.20782	0.5
308.22183	42.3
309.22537	3.1
326.19971	3.6
326.23236	100.0
327.23611	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	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31289	0.3
55.01869	1.7
55.05500	0.9
56.05025	0.7
57.03443	2.4
59.05005	0.9
65.67264	0.3
67.05499	2.9
68.05013	0.5
69.03438	1.8
69.07050	0.7
69.40179	1.6
70.06577	1.6
71.04994	0.8
79.05476	1.7
80.05005	1.4
81.07040	1.1
82.06561	1.2
82.31506	0.4
84.08125	0.8
85.06535	0.6
91.05481	1.1
92.42802	0.4
93.07047	2.1
94.06571	2.2
95.08603	1.0
96.08114	1.5
97.06521	1.3
98.09684	0.4
98.98465	38.0
100.07628	0.9
100.11246	1.4
105.07022	1.2
106.06532	0.7
107.08586	0.8
108.08126	0.9
109.10136	0.9
110.09660	2.7
111.08085	7.8
112.07657	0.6
112.11246	1.1
112.18394	0.5
116.99509	0.5
117.07025	0.8
119.08619	0.6
120.08098	1.6
122.09651	1.5
123.11664	0.4
124.07588	0.5
124.11237	4.8
125.06033	2.0
125.09588	0.6
127.11192	0.9
131.08556	0.7
132.08122	0.5
133.08893	0.4
134.09636	3.3
135.10420	0.7
136.11249	2.3
137.05983	0.7
145.10062	0.6
146.09633	1.3
147.10416	0.5
148.11203	3.6
149.11974	0.7
150.01552	0.4
150.09099	1.9
150.12744	1.4
156.13896	1.0
160.11195	3.5
162.12793	11.2
163.07547	0.7
163.13426	0.8
163.22479	0.4
173.25891	0.4
174.12743	0.7
174.99225	5.7
176.14241	0.4
182.11792	0.4
182.15356	0.7
188.14314	1.7
190.15939	0.8
194.15358	0.8
196.13249	0.5
202.15860	1.6
206.15378	1.6
218.15364	0.6
220.16953	14.3
221.17332	0.8
224.25981	0.4
234.14870	5.9
236.16435	1.7
248.16501	2.8
248.20302	0.4
250.18045	5.1
250.99907	0.9
258.18591	0.7
267.18420	0.4
267.68073	0.5
268.19077	3.8
276.19543	1.6
280.19067	1.1
283.20190	1.0
290.21097	1.3
294.20670	6.2
308.18500	7.1
308.22156	20.8
309.09882	0.5
309.22495	1.3
326.19623	12.5
326.23206	100.0
327.10934	0.5
327.19962	0.5
327.23566	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	326.3055
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
52.93081	0.4
55.05510	10.3
57.03434	0.4
57.07081	2.1
60.04514	0.5
62.06088	100.0
63.06417	0.9
67.05498	6.9
69.07067	10.7
69.83676	1.3
70.02942	0.3
71.04976	0.6
71.08637	1.1
71.70048	0.4
75.43971	0.4
79.05496	2.8
81.07050	5.9
83.08619	7.4
85.10197	0.6
91.05493	0.5
91.68858	0.4
92.92920	0.4
93.07048	3.9
95.08601	5.9
97.06541	0.9
97.10169	2.8
98.06059	0.8
98.98463	9.0
107.08599	1.7
109.10165	2.1
111.08109	0.4
111.11716	1.0
112.07586	0.8
121.10159	2.4
123.11723	0.5
135.11693	2.1
149.13214	0.4
157.40219	0.4
174.99220	1.5
182.47090	0.4
247.24292	0.5
265.25247	0.9
270.50266	0.4
308.29343	3.2
309.27863	5.4
326.16080	0.8
326.19644	0.6
326.30524	23.2
326.50195	0.4
327.30823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2167
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01869	2.1
55.05508	1.6
57.03445	1.6
65.03927	0.3
65.55625	0.2
67.05501	5.7
69.03457	0.3
69.07058	1.2
69.52742	0.5
69.53126	0.6
71.04992	1.3
72.08129	0.3
75.08882	0.3
77.01598	0.7
79.05501	2.6
81.03410	0.5
81.07049	5.2
83.04978	2.0
83.08626	0.8
85.02894	0.4
85.06560	0.6
87.04431	0.5
89.58272	0.3
91.05477	3.0
93.07043	3.9
95.04966	2.1
95.08608	5.3
97.06522	1.2
98.22736	0.4
98.98464	100.0
99.04444	0.6
99.48866	0.3
105.07019	2.4
106.82209	0.3
107.04948	0.7
107.08573	1.5
109.06520	1.4
109.10162	3.1
110.28288	0.2
111.04449	3.8
111.08083	1.1
113.05955	0.3
116.99506	1.8
119.08575	2.0
121.06491	0.4
121.10102	1.3
123.08032	0.3
123.11717	0.3
125.06016	1.0
125.09645	0.4
126.51756	0.3
129.05533	0.3
129.06943	0.4
131.08548	0.8
133.10098	2.3
136.14204	0.3
137.05984	0.9
137.09607	0.4
140.01077	0.7
147.11661	2.2
149.09662	0.3
151.07590	0.3
151.11143	0.7
155.10677	0.4
157.10132	1.1
165.12730	0.9
173.11711	0.8
174.99222	15.1
175.11198	1.1
183.13797	7.1
188.08878	0.3
193.12263	0.8
207.13849	0.4
211.13280	13.8
212.13651	0.5
221.15422	0.4
232.96574	0.4
239.16451	0.4
250.97667	0.5
251.00041	2.5
263.20087	3.7
267.71353	0.4
281.21118	16.3
282.21307	0.7
291.19501	0.7
309.20602	2.3
311.68039	0.3
327.11960	0.4
327.21695	3.3
328.11725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.3
53.03941	2.9
55.01863	2.1
55.05511	4.1
56.65049	1.1
57.00358	1.0
57.07062	2.5
59.33017	1.0
67.05501	9.8
69.03433	1.0
69.07062	5.4
69.70193	2.2
69.70547	2.7
70.47266	1.0
71.04971	1.6
71.38752	1.1
77.03951	3.1
79.05508	7.3
81.03413	1.5
81.07059	10.6
83.08613	2.1
85.06549	1.1
91.05484	12.4
93.07041	25.4
95.04969	34.7
95.08612	16.5
97.06493	5.5
97.10207	1.0
98.98467	100.0
101.31955	1.1
103.29701	1.1
105.04520	6.1
105.07041	18.1
107.08590	11.4
109.06512	4.4
109.09539	1.1
109.10136	7.2
113.27493	1.2
115.05460	1.2
116.99516	2.8
117.07025	4.8
119.08589	18.9
121.06516	6.0
121.10124	8.7
123.08060	3.2
123.11688	3.3
123.20547	1.2
124.37336	1.0
129.07007	3.7
130.07814	2.2
131.08569	8.0
133.06477	1.4
133.10146	14.0
135.08052	2.9
135.11708	5.1
137.09618	1.8
142.07765	3.1
143.08575	7.1
144.09378	1.4
145.10147	13.1
147.11679	3.9
149.09589	2.2
149.13190	1.3
152.06215	14.5
153.06998	11.5
155.08675	2.2
156.09407	1.8
157.10136	11.2
158.10963	1.5
159.08107	1.7
159.11700	12.7
161.09645	5.9
161.13264	2.6
168.05727	1.8
169.06371	1.6
169.10104	5.4
171.08026	1.7
171.11662	5.3
173.09685	1.4
173.13264	4.5
174.99239	15.9
175.14873	6.7
181.10205	1.6
183.11748	2.3
185.13234	2.1
187.11150	2.3
187.14853	5.4
189.16344	1.7
193.10101	1.7
195.11679	1.9
197.13300	3.8
199.14822	4.1
201.16336	2.1
203.22058	1.2
209.13261	3.0
211.14850	2.6
215.02487	2.5
217.15799	1.9
221.13286	1.6
223.14653	1.2
225.16426	1.7
227.14275	1.6
228.09369	3.8
229.10095	1.5
233.03624	13.4
235.14865	2.2
250.99982	2.4
251.04709	6.7
253.15913	1.4
309.22086	3.1
313.99573	1.1
327.07803	53.9
327.19559	1.4
327.23264	4.1
328.08090	5.0
328.35828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.01875	1.9
55.05514	7.6
57.03454	1.8
57.07079	3.6
57.36234	0.7
59.05002	1.0
65.03941	1.1
67.05505	16.5
69.03418	0.9
69.07069	8.0
69.50755	3.6
71.04993	2.2
71.08616	0.8
77.03952	0.9
79.05499	9.5
81.03428	2.3
81.07061	14.8
81.07504	1.2
83.04983	1.8
83.08642	4.1
85.06558	2.4
91.05480	20.6
93.07047	33.1
94.07323	1.2
95.04971	32.0
95.08613	25.8
97.06532	8.2
98.22753	1.8
98.98470	100.0
105.04552	2.7
105.07037	27.6
107.04975	1.2
107.08595	17.8
109.06496	4.9
109.10152	11.2
111.11758	0.8
115.05508	2.3
117.07028	8.0
119.06103	0.9
119.08585	32.5
121.06504	7.5
121.10149	14.3
123.08067	6.5
123.11732	2.6
128.06256	3.1
129.06995	4.2
130.07811	3.6
131.08572	13.4
133.06456	1.3
133.10129	20.8
135.08054	4.3
135.11728	6.1
137.09662	2.7
141.07039	2.4
141.34515	0.7
142.07747	5.4
143.08554	9.2
144.09331	2.8
145.10124	19.4
147.08061	1.4
147.11697	6.5
149.09660	2.4
149.13280	1.1
151.11206	1.5
153.07047	0.9
154.07750	1.3
155.08566	2.8
156.09369	2.9
157.10133	15.7
158.10858	2.5
159.08078	2.8
159.11697	16.6
160.12181	1.1
161.09613	7.3
161.13322	2.2
163.11203	0.8
163.14882	0.9
167.08553	1.6
168.09383	1.8
169.10156	7.3
170.10928	1.6
171.11678	5.3
172.12509	1.3
173.09695	1.4
173.13234	7.8
174.99226	13.2
175.11227	1.1
175.14818	7.1
177.12770	1.0
178.73703	0.8
179.08545	1.8
181.10219	2.1
182.10905	1.0
183.11673	3.8
185.09598	1.1
185.13229	4.9
187.11218	3.1
187.14851	6.4
189.16486	1.6
195.11716	2.7
196.12460	1.1
197.13266	5.2
199.11148	1.1
199.14827	2.6
201.16431	1.5
205.10292	1.1
205.15845	0.9
207.11777	1.2
209.13239	3.2
211.14886	4.2
213.16411	1.8
215.14439	1.3
217.15746	1.3
219.17526	0.9
220.12427	0.8
221.13242	2.1
223.14853	2.1
225.16426	1.7
227.14331	1.4
229.15846	0.9
235.14828	2.1
239.17842	1.4
251.00021	3.3
253.15999	1.6
275.20081	0.9
281.22757	0.8
291.21014	1.3
309.22104	3.4
327.08023	0.8
327.23322	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	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.03430	0.5
57.07075	100.0
58.07409	2.0
58.78994	0.3
59.05002	1.2
63.31519	0.3
63.38482	0.3
67.05505	11.4
71.08632	0.7
76.04134	0.3
81.07056	1.2
81.85890	0.3
83.08616	1.0
85.06532	0.6
90.69509	0.3
94.72561	0.4
98.98466	11.4
98.99088	0.7
102.44514	0.3
109.10153	11.4
110.10506	0.4
111.95286	0.3
127.11192	56.8
128.11539	1.9
151.60347	0.3
169.54695	0.4
174.99284	1.0
189.73607	0.4
241.00684	0.5
327.25284	41.6
328.25662	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	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55324	0.4
55.05513	0.6
57.07077	100.0
58.07419	1.3
59.05020	0.6
67.05505	9.7
69.61630	0.9
69.62012	1.0
74.06170	0.4
80.72041	0.4
81.07063	0.6
83.08629	0.5
98.22752	0.8
98.98476	8.5
100.06938	0.4
109.10156	13.6
110.10516	0.4
122.72848	0.4
127.11196	75.5
128.11543	1.9
140.80952	0.4
145.12270	0.5
147.07133	0.4
174.99200	1.3
188.80577	0.4
296.78574	0.5
327.25299	61.5
328.25684	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	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82524	0.7
54.75328	0.7
55.05515	1.2
57.07076	100.0
58.07413	2.0
59.05004	1.0
67.05501	10.4
69.69442	2.1
69.69803	1.4
81.07065	1.2
83.08627	0.8
88.54439	0.7
98.98470	20.4
99.35449	0.7
103.35233	0.9
109.10157	11.4
127.11193	54.5
128.11478	1.3
174.99257	3.2
178.77528	0.8
248.39359	0.9
278.74542	0.8
327.25284	39.8
328.25580	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	328.1757
Annotation	Cropodine
Peak:m/z	Relative Intensity
55.01899	0.5
59.05003	48.5
59.79570	0.3
60.05345	0.9
69.03439	2.7
70.06559	0.8
70.06899	0.4
72.10992	0.4
80.05019	0.6
84.86671	0.4
86.06061	3.1
95.08628	0.4
96.08120	0.4
97.06543	0.4
98.06061	0.6
98.22671	0.4
98.98467	44.6
101.06020	100.0
102.06380	1.9
105.07045	0.9
112.07613	3.2
122.09674	0.6
123.08067	2.4
124.07589	4.6
125.06023	3.0
128.07060	2.0
133.06543	0.9
150.09142	3.1
150.87653	0.3
151.07584	1.6
154.08603	0.7
156.06618	0.7
168.10210	2.3
174.99245	4.7
176.14384	0.4
176.98938	1.6
190.12239	0.6
208.13362	1.6
213.06966	0.4
218.11754	0.9
222.11259	0.6
226.10631	0.6
228.12279	1.7
236.12811	3.9
240.83942	0.3
245.41994	0.4
252.99934	0.6
254.13644	0.6
266.81192	0.4
268.15424	6.8
269.15894	0.5
296.14935	25.1
297.15329	1.1
328.17545	49.6
329.17871	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	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
57.03434	1.5
57.16397	0.3
59.05000	23.6
65.03941	1.4
67.05499	0.7
69.03443	2.0
70.03928	1.1
70.06594	2.0
71.05001	0.4
72.08147	0.8
73.06554	45.6
76.59264	0.3
76.90611	0.4
79.01328	0.4
79.05479	0.8
80.05025	0.4
81.03408	0.6
81.07018	0.4
84.04511	0.8
84.08134	0.7
85.02903	5.0
86.09684	1.8
86.98511	0.4
86.99187	0.3
91.05454	0.5
93.03403	0.4
93.07037	0.7
95.04951	0.8
97.02876	1.6
97.06551	1.1
98.98463	100.0
99.04459	0.7
100.98891	0.7
108.08105	0.4
109.02927	0.6
110.03654	0.9
111.08051	0.9
116.07083	1.4
116.99495	2.0
117.09117	5.6
119.08598	0.4
120.08095	0.5
121.10149	0.7
122.09675	0.6
125.06013	0.8
127.03917	1.4
130.04971	0.6
131.10675	4.8
132.10977	0.3
138.03088	0.4
145.04932	0.7
147.08012	0.5
148.07573	1.7
149.11725	29.4
150.12076	1.0
151.07527	0.8
152.04111	0.4
153.05476	1.8
171.06477	1.7
173.50363	0.4
174.99214	10.2
175.99535	0.8
176.98900	3.3
181.04948	35.4
182.05312	1.6
183.05405	0.3
207.10124	0.8
210.63167	0.4
222.14931	0.7
224.16490	0.6
234.14967	1.0
241.26691	0.4
251.00002	0.7
252.99767	1.3
264.19568	0.5
270.16751	0.4
292.19113	0.4
298.06863	0.4
310.16690	0.6
310.20074	3.5
328.14948	1.1
328.17755	0.5
328.21109	10.5
329.21567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57681	0.4
51.96295	0.4
55.05502	0.7
56.05023	0.8
56.85332	0.4
57.00715	0.3
57.03436	0.6
59.04995	0.4
67.05476	1.7
67.33627	0.4
69.82433	0.4
69.82775	1.3
70.06570	0.7
71.04991	1.1
79.05498	1.0
80.05000	0.9
81.07053	0.7
83.02165	0.4
84.08141	0.7
84.28074	0.4
85.06533	0.4
89.13625	0.4
91.05449	0.5
93.07069	0.4
94.06577	0.9
95.04964	3.7
96.08125	0.5
98.22794	0.5
98.98466	9.6
99.04438	0.5
100.07603	0.6
105.07014	0.6
106.06569	0.6
107.08591	0.5
108.08096	0.6
109.10149	0.5
110.09686	2.8
112.07640	0.4
112.11222	0.7
113.05981	1.2
119.08536	0.5
120.08089	0.7
120.75058	0.4
122.09640	0.9
123.04436	0.9
124.11263	2.2
125.09566	0.5
127.11185	0.6
134.09644	2.5
135.63788	0.4
136.11208	1.7
138.09015	0.5
138.12767	1.7
141.05453	0.8
142.12274	0.9
148.11191	3.5
149.12094	0.4
150.12817	0.6
160.11177	1.1
162.12823	2.2
163.13441	0.6
164.14273	0.8
166.12254	4.1
170.15401	0.7
174.99208	0.9
176.14316	0.6
182.15431	0.6
188.14342	1.9
194.15508	0.5
204.13870	0.7
206.15395	7.7
220.16901	2.0
222.18683	0.7
224.16435	13.8
225.16899	0.6
231.62498	0.4
246.18510	1.2
250.14395	0.6
252.15935	1.1
264.19580	10.5
265.19812	0.8
270.17117	1.2
282.20645	14.9
283.02924	0.4
283.20969	1.8
292.19058	0.6
310.20108	6.1
328.21161	100.0
329.21518	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	328.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05504	1.4
67.05518	2.7
68.05010	0.7
69.03431	4.8
69.07080	0.5
70.06597	3.6
71.04993	2.9
71.44863	0.5
72.08159	0.8
79.05499	1.1
80.05024	5.0
81.07056	1.7
82.06573	1.8
82.15671	0.4
83.04969	0.7
84.08147	12.2
84.08652	0.6
85.02924	0.6
85.06561	0.9
86.06061	1.9
86.09709	0.8
87.04472	0.5
87.38857	0.4
89.05976	0.4
91.05486	1.4
93.07046	1.5
94.06558	1.9
95.04969	17.8
95.08603	1.0
96.08150	0.6
96.08971	0.4
97.02877	0.9
97.06541	1.4
98.06031	0.5
98.98470	100.0
99.08087	0.6
100.07626	1.5
100.98876	0.8
103.91899	0.4
105.07049	1.5
106.06567	1.0
107.08617	1.3
108.08123	1.2
109.02887	0.6
109.06537	0.9
109.10176	1.3
111.04444	0.7
111.08060	2.7
115.03923	0.4
116.07069	1.4
116.99515	1.1
117.07034	0.5
118.03236	0.4
118.06604	0.4
119.08583	0.9
120.07381	0.5
120.08128	3.4
121.06496	0.6
121.10105	0.5
122.05988	0.5
122.09657	0.9
124.07623	0.8
125.05979	0.8
125.65755	0.4
126.01095	0.9
129.06972	0.7
132.08110	1.6
133.06441	0.4
133.08888	0.8
133.10109	0.6
134.09624	2.7
135.08090	0.7
136.07542	0.7
136.11205	1.1
137.09595	0.5
138.09137	1.0
139.07559	0.8
140.10736	0.6
142.12292	0.4
145.08832	1.8
145.09970	0.6
146.09657	2.8
148.07571	1.2
148.11226	2.2
150.09131	2.4
151.07603	0.8
152.10732	0.8
153.09015	0.4
159.10393	0.4
160.11261	3.4
161.09604	0.6
161.11700	0.4
162.09114	2.4
162.12756	2.0
164.10732	1.8
166.08676	1.8
166.12349	0.9
167.07054	2.1
174.09111	3.2
174.12694	0.5
174.99242	9.9
175.11099	0.6
175.99556	1.0
176.98924	4.0
178.12273	17.3
179.12738	0.6
180.13756	2.4
181.04974	1.6
188.10727	0.5
188.14343	1.7
190.12309	0.6
192.13875	0.9
196.13426	0.8
204.13831	0.8
206.15414	3.3
210.14926	0.5
216.13850	5.8
218.15497	0.8
219.06566	0.7
222.14938	1.4
223.13106	0.4
224.16515	0.7
225.11125	0.5
232.16963	0.4
234.14893	33.4
235.15221	1.8
236.16403	2.1
237.07532	0.7
240.15977	0.6
251.00021	0.7
252.15944	13.1
252.99648	1.1
253.16376	0.6
257.92041	0.4
264.19556	1.9
270.14178	0.4
270.17093	2.6
274.18033	1.8
282.20593	0.7
292.19037	10.8
293.06549	1.1
310.20123	68.8
311.20474	3.8
328.17496	20.8
328.21198	41.9
329.00394	0.5
329.18121	0.9
329.21359	2.4
341.79300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46689	0.3
55.01889	2.2
55.05514	1.0
56.05037	0.4
57.03431	1.2
66.49277	0.4
67.05505	1.2
68.05021	0.5
69.03430	1.4
69.07076	0.5
70.06588	3.5
71.04980	0.4
72.08159	1.3
79.05499	1.9
80.05016	1.5
81.07061	0.9
82.06582	1.1
83.05003	0.5
84.08150	1.4
86.09696	2.5
91.05498	1.1
93.07040	1.8
94.06590	1.5
95.04999	0.4
95.07365	0.4
95.08625	0.6
96.08138	1.6
97.06543	1.5
98.06027	0.4
98.22596	0.7
98.98469	74.6
99.08092	0.4
100.98914	0.5
105.07047	1.6
106.06585	0.7
107.08596	1.7
108.08118	1.6
109.06526	0.5
109.08919	0.9
110.09692	2.0
111.08056	0.7
112.07594	0.6
116.07092	2.2
116.99524	1.4
117.07008	0.8
118.06568	0.4
119.08553	0.7
120.08104	1.7
122.09668	3.6
123.08035	0.4
124.07554	0.7
125.05989	3.0
125.09652	1.0
126.09140	1.0
130.04971	0.4
132.05827	0.5
132.08086	1.3
133.08878	0.4
133.10136	0.4
134.09660	1.9
135.10460	0.6
136.11269	1.0
138.09146	0.8
140.10684	0.9
140.34525	0.5
146.09622	2.7
147.10439	0.5
148.11191	0.7
150.09137	1.8
152.10689	1.0
154.12230	0.4
158.09665	0.8
160.11223	3.9
161.12013	0.9
162.09160	0.6
162.12801	0.7
164.10728	1.1
174.99213	6.2
175.99525	0.7
176.98953	2.6
178.12280	4.2
179.12939	0.5
180.10161	0.7
181.04959	1.4
182.11754	6.3
185.16505	1.4
188.10730	0.5
188.14381	0.8
192.13818	0.8
200.12834	4.7
206.11714	0.7
206.15332	0.6
213.16058	0.6
232.13312	0.6
234.14912	5.4
236.16469	4.3
250.14445	0.9
252.15955	11.4
252.99722	1.3
253.16261	0.8
266.17529	1.2
270.16983	22.2
271.17368	1.1
274.18372	0.6
284.18542	1.8
292.18997	1.2
296.18472	0.5
310.20139	7.5
311.20212	0.4
328.21176	100.0
329.15704	0.6
329.21548	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	328.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42794	0.3
55.01857	1.3
55.05494	1.0
56.05020	0.4
57.03435	0.9
59.42934	0.4
67.05489	0.7
68.05029	0.5
69.03443	0.8
69.12142	1.9
69.82372	0.3
70.06599	2.5
72.08152	3.6
74.05644	0.4
79.05482	1.9
80.05006	0.7
81.07045	1.1
82.06571	0.9
82.38731	0.4
82.69188	0.3
84.08140	0.9
86.09698	3.0
91.05473	1.3
91.90947	0.3
93.07033	1.1
94.06573	0.8
95.08588	0.6
96.08105	0.7
97.06524	0.9
98.22739	0.8
98.98462	25.3
99.04515	0.6
103.32461	0.3
105.07055	1.2
107.08584	1.9
108.08114	2.2
109.08931	0.5
110.09676	1.0
112.07613	0.6
116.07079	4.3
116.99481	0.4
118.67886	0.3
119.08610	0.8
120.08072	1.0
122.09653	2.8
124.07601	0.6
124.11205	0.8
125.05972	1.2
125.09601	0.9
126.09193	0.5
130.17223	0.4
130.42860	0.3
132.08093	1.4
134.09656	2.1
135.10384	0.6
136.11218	1.3
140.10666	0.4
146.09625	1.9
147.10516	0.5
148.11191	1.1
150.09181	1.7
152.10652	0.5
154.12285	0.3
160.11220	2.5
161.09476	0.4
162.09129	0.4
162.12781	1.6
164.10725	0.4
168.10210	0.7
174.99258	1.8
176.10736	0.5
176.98878	0.8
178.12204	1.7
180.10191	0.4
182.11754	2.9
185.16486	1.5
186.12741	0.6
190.12390	0.4
192.13795	0.7
200.12813	0.9
206.11775	0.6
208.39722	0.3
213.15959	1.3
216.13887	0.6
218.15416	0.5
222.14832	0.5
232.13434	0.4
234.14836	4.1
236.16487	4.7
248.16423	0.4
250.14444	0.6
252.15843	2.3
266.17596	0.6
270.16949	0.6
292.19089	3.8
310.20105	12.3
311.20428	0.7
328.21164	100.0
329.11877	0.4
329.21475	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	328.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05510	1.4
56.05048	0.5
57.03427	1.2
58.06583	0.3
65.03937	0.3
65.51090	0.3
67.05505	1.4
67.22926	0.3
69.03421	0.7
69.07050	0.6
69.65659	0.6
69.66041	0.5
70.06590	6.3
71.04981	0.8
71.96988	0.3
72.08156	7.6
73.31721	0.3
79.05508	1.9
80.05025	1.2
81.05047	0.4
81.07046	1.3
82.06589	0.9
84.04491	0.4
84.08139	4.0
85.02906	0.4
85.06501	0.4
86.09701	6.3
91.05499	0.8
93.07046	0.8
94.06548	1.5
95.04961	0.4
95.08589	1.1
96.08115	0.8
97.06516	0.9
98.98465	91.3
99.04475	0.4
100.07621	0.5
100.98853	0.5
105.07050	1.2
106.06563	0.5
107.08601	2.5
108.08139	2.0
109.08890	0.7
110.09698	0.8
111.08081	1.3
112.07590	0.6
116.07088	11.2
116.99508	1.4
117.06999	0.4
119.06116	0.4
119.08593	0.4
120.08111	1.1
122.09660	2.4
123.08121	0.8
124.11198	0.5
125.06009	1.3
125.09622	0.7
132.08072	1.1
133.10069	0.4
134.09673	2.0
135.10384	0.6
136.11215	1.4
138.09164	0.6
140.10724	0.5
146.09657	1.5
147.10449	0.5
148.11240	0.6
150.09134	2.1
151.03867	0.4
152.10706	0.7
153.09143	0.4
158.09641	0.6
160.11186	2.2
162.09100	0.4
162.12848	0.9
164.10724	0.4
166.08817	0.3
168.10164	0.8
174.99219	8.7
175.99562	0.6
176.98898	2.9
178.12283	1.2
180.13774	0.6
181.04948	8.3
182.05339	0.5
182.11769	2.8
184.13339	0.6
185.16499	3.6
186.12671	0.5
188.14366	0.4
200.12831	1.1
210.14891	0.6
213.15953	2.1
214.14314	0.4
216.13818	0.6
218.15446	0.8
222.14896	1.2
232.13280	0.6
234.14859	3.4
236.16432	3.2
237.16803	0.4
250.14432	0.8
251.00053	0.7
252.15959	2.5
252.99730	1.3
266.17435	0.5
270.17108	1.0
282.17075	0.4
292.19073	3.8
304.15427	0.8
310.20111	14.7
311.20490	1.2
328.21182	100.0
328.68307	0.4
329.21445	6.0
345.62128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01874	1.5
55.05513	17.2
59.05008	0.7
67.05509	5.2
69.03424	1.9
69.07069	6.3
79.05496	8.0
80.55546	0.5
81.07062	5.1
83.04986	1.5
83.08625	11.1
84.08928	0.6
91.05488	2.7
93.07061	3.7
95.08608	2.2
97.06523	1.1
97.10173	22.7
98.23562	0.9
98.98470	100.0
104.99269	1.8
105.07022	4.1
107.08596	24.8
108.09016	0.7
109.06528	0.7
109.10167	1.5
111.08112	0.7
116.99479	0.9
117.07030	1.0
119.08620	1.4
121.02863	0.8
121.10170	0.6
123.11671	0.7
125.09633	17.8
130.93330	0.7
131.08585	0.8
133.10153	2.8
133.11060	0.5
135.08052	1.6
135.11691	1.1
138.73137	0.6
140.01074	0.7
143.08575	0.6
143.10660	1.4
144.69090	0.5
145.10149	1.9
147.11707	2.1
149.09598	1.4
153.09100	1.1
159.11705	0.9
161.13286	1.0
163.11121	0.8
171.10126	2.7
172.94473	0.7
174.99255	8.4
175.99657	0.9
176.98946	3.8
181.12299	0.9
189.11227	29.2
190.11522	1.1
213.05508	0.6
232.96425	1.1
239.17982	0.8
239.80702	0.6
250.97588	0.7
250.99997	0.9
252.99791	1.6
257.18991	2.8
260.76785	0.6
275.20081	20.8
276.20535	1.4
293.21127	2.5
328.15393	5.4
328.19125	4.0
329.16013	0.7
329.19971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01867	0.8
55.05515	4.3
55.12146	0.5
56.25198	0.5
57.03434	0.8
57.07090	0.6
59.04992	0.5
66.88724	0.5
67.05502	11.5
69.03415	0.9
69.07069	4.5
69.42136	1.9
71.04993	1.2
71.57343	0.6
73.06565	0.7
75.14868	0.6
77.01622	0.6
79.05496	11.1
81.03416	1.4
81.06621	0.9
81.07058	8.4
83.04977	1.4
83.08614	2.6
85.06522	0.8
91.05477	6.6
93.07047	10.1
95.04950	3.0
95.08610	9.5
97.06545	1.6
97.10168	1.5
98.22720	1.0
98.98471	100.0
104.99265	2.3
105.07037	5.8
107.08601	6.5
109.06538	0.9
109.10161	5.6
111.08059	0.8
116.09573	0.5
116.99505	1.5
117.07030	1.1
119.08604	3.9
121.02907	0.9
121.10161	5.4
123.11698	0.6
125.09628	1.7
131.08578	2.4
133.10127	3.9
135.08038	1.1
135.11700	1.7
137.09605	2.0
139.11215	0.7
140.01123	0.6
141.09076	0.9
145.10152	1.6
147.11690	1.8
149.09680	1.3
149.13290	0.8
155.10683	0.7
159.10164	1.3
159.11711	1.7
173.11763	4.4
173.13145	1.0
173.39690	0.5
174.99236	8.8
175.11284	0.7
175.99553	0.7
176.98918	3.8
189.11249	1.4
190.95389	0.9
193.12267	0.7
211.13321	1.3
232.96472	0.9
235.16994	0.9
247.00452	0.7
252.99815	1.7
265.21655	1.6
268.95935	0.6
275.20050	4.6
293.21051	1.2
311.22229	1.5
328.15240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05513	7.0
55.46895	1.0
57.03437	2.8
67.05505	17.5
69.03429	1.6
69.07068	14.7
71.04984	1.6
71.19319	1.2
79.05496	13.1
81.03409	2.7
81.07059	19.9
83.04990	3.2
83.08618	3.7
85.06546	1.5
88.96107	0.9
91.05481	9.6
93.07049	12.4
95.04973	4.3
95.08608	9.5
97.06531	3.6
97.10160	1.6
98.09683	1.8
98.98467	100.0
99.08111	1.6
104.99266	3.8
105.03404	2.2
105.07024	9.5
107.04993	1.1
107.08575	6.2
109.06521	2.3
109.10155	4.0
111.08119	2.5
112.89649	0.9
116.99496	2.3
117.07031	2.6
119.08583	7.5
121.06574	1.0
121.10098	5.2
123.08067	3.2
123.11688	3.3
131.08574	4.0
133.10112	7.2
135.08025	1.4
135.11681	6.0
137.09602	1.3
139.50665	0.9
140.01080	1.4
145.10126	3.6
147.11681	4.5
149.09621	2.2
149.13295	1.2
157.10094	2.0
159.11693	3.5
163.11220	2.8
165.12798	1.8
172.94382	1.1
173.13268	2.2
174.99237	8.8
176.98921	3.0
177.12660	1.2
181.12213	7.5
186.70972	1.0
195.13782	4.3
213.14763	1.1
232.96573	2.0
239.17924	0.9
247.00618	1.0
251.00047	1.0
252.99780	1.1
257.19046	2.1
275.20099	11.8
276.20441	1.1
293.21210	1.6
328.18704	18.6
328.21814	1.5
329.19147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05512	4.2
57.03426	1.9
57.07074	2.8
58.06609	0.7
59.58518	0.5
60.04528	1.3
62.07419	0.6
67.05158	0.8
67.05508	9.8
69.07072	6.3
70.06586	1.5
70.53939	0.8
71.04988	4.7
72.04501	2.9
77.18912	0.6
79.05494	8.7
81.03413	1.2
81.07063	14.0
82.20611	0.6
83.04985	1.5
83.08612	3.2
85.06525	1.5
91.05481	9.3
93.07044	9.0
95.04962	2.6
95.08617	8.8
97.06511	3.1
98.98470	100.0
99.08109	1.3
100.98856	0.9
104.99294	2.6
105.04552	1.0
105.07024	9.6
107.04950	1.7
107.08583	5.0
109.06535	6.7
109.10179	2.8
111.08082	1.3
113.05993	1.2
115.07584	0.7
116.99492	1.4
117.07020	2.4
119.08569	6.4
121.06502	0.9
121.10152	3.9
123.08044	3.0
129.07001	2.0
131.08559	5.3
133.10141	4.6
135.08022	0.9
135.11726	1.4
137.09628	0.6
140.01135	1.3
143.08574	1.8
145.10132	3.6
147.11702	5.1
149.09607	1.6
151.03886	0.7
157.10179	1.0
159.11739	2.3
161.13264	3.7
163.11183	1.3
165.12717	0.8
169.10190	0.8
171.11668	2.9
173.13271	1.2
174.99210	9.6
175.11276	0.7
176.98923	3.7
179.14302	0.9
181.60205	0.6
185.13298	1.3
187.14868	0.9
189.12814	2.6
190.95381	0.9
199.05884	1.0
201.16269	0.7
205.15938	1.0
207.13834	2.1
209.11748	1.3
219.17566	1.0
233.15338	2.3
247.00348	1.2
247.20435	0.7
250.99973	0.6
252.99763	1.3
255.12378	1.2
265.18027	2.7
275.20084	3.6
293.21283	0.8
293.24780	1.7
310.27451	1.2
311.18408	5.2
328.21246	0.7
328.24945	1.4
328.28506	1.5
328.32156	6.2
329.32343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46520	0.5
55.01877	0.8
55.05508	3.2
57.03456	0.5
61.46036	0.5
64.77518	0.5
67.05504	6.4
69.03441	0.7
69.07058	2.4
69.85670	1.0
69.86035	1.0
79.05501	5.7
81.07053	3.8
83.04984	1.0
83.08617	2.4
91.05484	4.4
93.07050	5.5
95.04972	1.7
95.08614	4.5
97.10169	1.7
98.98470	100.0
100.98907	0.7
104.99278	1.5
105.04471	0.5
105.07062	2.7
107.08602	3.1
109.10167	3.4
111.08116	0.7
116.99507	2.6
117.07051	0.7
119.08582	2.6
121.02852	0.8
121.10145	4.0
123.08041	0.8
125.09631	2.1
126.33876	0.5
131.08546	0.7
133.10127	2.0
135.08087	0.5
137.09631	1.3
139.11209	0.8
140.01039	0.7
145.10149	1.0
147.11650	1.3
149.13306	0.5
155.10699	1.1
159.11707	1.2
161.13261	0.9
163.11206	0.7
171.11734	0.6
172.94324	0.7
173.11819	2.6
173.13147	0.8
174.99231	9.3
175.99483	0.7
176.98917	3.5
183.11809	0.8
189.11194	1.7
190.95409	0.8
211.13377	0.7
232.96539	1.0
247.00412	0.8
247.83662	0.4
250.99986	1.3
252.99744	1.6
257.18875	0.6
275.20132	3.5
293.21051	0.8
328.15399	1.4
328.28580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01880	9.5
55.05513	18.5
57.03451	2.0
57.07058	4.3
67.05509	32.2
69.03439	2.0
69.07069	15.3
69.84248	4.2
70.06617	1.9
71.04991	4.4
79.05496	15.5
81.03407	6.3
81.07058	32.5
83.04967	6.2
83.08621	15.3
85.06536	6.0
91.05485	17.8
93.07046	18.0
95.04976	11.7
95.08614	20.6
97.06534	2.5
98.98470	100.0
99.04448	2.8
100.07581	2.0
104.99159	3.0
105.07028	20.9
106.07307	2.2
107.04973	2.8
107.08595	22.4
108.59760	1.5
109.06509	6.3
109.10163	35.3
110.10510	1.7
111.08101	4.4
113.06001	2.2
113.09631	1.8
117.06993	3.4
119.08599	10.2
121.10139	7.3
123.08067	6.6
123.11717	8.1
124.46415	1.6
124.86803	1.5
127.07549	2.6
131.08572	5.5
131.98891	1.8
133.09180	3.3
133.10132	42.6
134.10478	2.3
135.11674	3.8
137.09642	8.6
142.41071	1.6
145.10103	4.7
147.11691	5.4
149.09636	4.0
151.11183	34.7
157.10120	2.3
159.11691	5.6
161.13257	2.1
163.11241	3.6
163.14874	1.9
165.09077	3.9
169.10078	2.0
169.12247	12.3
171.11766	1.8
173.13237	2.5
174.99200	8.8
176.99034	3.8
179.14597	1.6
186.67671	1.5
193.12325	3.2
209.09708	2.4
211.13203	11.8
215.09239	1.8
215.12767	5.1
229.19528	2.0
230.24770	2.2
247.00403	2.1
247.20624	2.3
257.18945	3.6
275.20090	30.7
283.54425	1.8
293.21158	24.3
310.30969	7.1
328.28479	2.6
328.32089	4.4
328.35742	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	329.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08996	0.3
56.96555	0.8
62.82426	0.3
63.94466	0.3
69.77625	0.9
71.04981	0.4
85.02909	0.3
98.98469	54.1
100.98858	0.4
109.06461	0.3
111.02978	0.3
116.98701	0.3
116.99498	0.8
129.03979	2.6
130.93292	1.0
131.59877	0.3
147.05043	0.5
156.03265	0.8
157.03456	2.8
167.03154	1.5
168.03348	0.4
169.46611	0.4
172.94368	3.9
173.01190	0.5
174.04456	0.6
174.99242	5.4
175.04518	5.2
176.98865	2.3
181.07050	0.6
186.04381	1.2
190.95390	1.5
193.05528	0.8
198.95943	0.6
204.05540	0.3
208.96556	0.4
209.06509	1.8
211.08162	0.3
211.81859	0.3
216.30069	0.3
216.96959	0.6
219.11890	0.3
224.97476	1.8
226.95438	0.4
227.07639	3.6
227.17307	0.3
228.07750	0.5
237.06194	0.4
242.98579	2.7
243.94257	0.3
245.08591	0.7
251.00087	0.6
252.99792	1.1
255.07159	3.3
257.08615	0.5
258.98096	0.9
260.99686	0.7
262.97415	0.5
268.96622	0.9
273.08154	4.2
276.99057	0.4
283.06665	1.1
284.08185	2.1
285.08075	0.5
286.97491	6.9
301.07669	4.6
304.98575	14.0
305.98972	0.5
311.06189	0.4
319.08749	0.7
322.99673	1.5
328.20639	1.1
329.08435	100.0
330.08746	3.4
330.19089	0.9
347.08289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65530	0.4
56.96569	100.0
57.23879	0.5
61.16712	0.5
70.03084	0.6
70.03408	1.0
72.96062	1.2
74.97631	1.1
83.97657	0.8
84.96052	1.3
85.02924	0.6
86.09727	1.4
97.99205	0.5
98.22798	0.8
98.97604	5.7
98.98481	9.6
115.00628	0.4
116.98650	1.9
124.00759	1.4
124.99110	4.6
126.02295	3.6
126.30691	0.5
127.00700	5.4
128.46870	0.5
130.93375	0.6
136.06207	1.2
136.99098	12.2
140.03830	5.7
142.01791	2.2
142.05402	7.0
143.00174	8.4
143.03836	0.5
144.03307	1.1
145.01736	2.7
150.05553	1.5
155.00162	40.3
156.00604	0.7
158.04897	5.5
160.02806	0.8
160.06464	9.1
161.01250	4.5
163.02858	0.6
168.06554	0.9
168.10280	1.5
170.01292	0.7
170.04898	5.3
170.99669	4.0
171.03398	0.9
172.94418	1.4
173.01233	43.9
174.01607	0.6
174.97748	1.2
176.05975	1.2
178.07565	1.9
179.02319	0.5
188.05957	8.0
189.00706	16.2
189.04424	2.1
190.95520	0.6
191.02271	19.5
192.98697	0.7
198.97658	0.7
206.07010	24.1
207.01788	12.7
207.05392	0.7
209.03311	4.3
209.28764	0.6
216.98718	5.1
217.00302	6.6
224.08047	19.9
225.02687	0.5
227.00824	1.0
235.01517	15.4
240.09081	0.9
242.08917	0.6
245.01955	0.5
253.02344	1.1
258.10107	2.8
268.08572	22.7
269.03345	0.7
269.08997	0.7
270.99649	0.8
276.11276	1.1
284.08124	1.7
285.02603	0.6
286.09619	59.1
286.97708	0.6
287.04599	0.8
287.09998	3.2
287.97824	1.0
289.00809	2.3
294.98007	0.6
302.09106	6.1
304.10645	7.5
304.13788	0.7
304.98572	0.5
305.10864	0.6
305.98978	1.8
309.11395	0.5
312.07767	2.4
320.10428	1.2
327.02460	0.5
330.08710	16.4
330.15121	0.7
330.19183	1.8
331.03363	1.4
331.08490	0.7
337.50119	0.6
348.09601	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	330.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34457	0.5
55.05501	0.7
57.06524	0.5
65.03942	2.2
67.05508	0.9
69.07063	0.6
70.22388	0.4
71.08619	0.8
71.44773	0.5
72.04518	0.7
79.05484	0.5
81.07071	0.8
90.05100	0.5
91.05482	100.0
92.05829	2.3
94.02955	1.0
98.98469	36.6
104.99274	0.8
105.07014	1.4
105.63482	0.6
116.99528	0.9
118.06551	0.8
123.02625	1.0
129.09126	0.7
130.06511	0.7
135.02582	0.8
138.03738	0.6
139.02136	1.0
146.05981	2.5
147.06821	0.9
150.03749	3.3
151.04503	0.9
152.05272	1.0
153.03824	0.5
155.04918	0.8
165.06958	0.8
166.03250	1.9
166.07793	0.8
174.05470	0.7
174.99231	1.4
175.00589	0.5
176.07066	1.7
176.98946	2.4
178.03235	2.0
179.04001	6.5
179.08575	1.5
180.04782	17.8
183.07393	0.6
184.03453	1.1
191.05734	1.1
191.65994	0.5
192.04819	0.8
192.06505	0.5
192.09412	0.6
194.02715	5.6
194.09737	0.7
195.08043	0.6
196.62590	0.6
202.30429	0.5
204.08109	2.3
206.02766	1.3
206.07993	1.9
206.09792	1.1
207.03482	13.7
207.07944	0.8
208.04272	8.0
210.04980	1.0
211.06554	0.6
218.09592	2.3
219.10391	1.6
220.10945	0.5
221.08240	0.7
225.07463	0.8
226.06863	20.8
227.05243	3.6
227.07079	1.0
234.09116	2.7
235.05760	0.8
236.05185	0.8
236.10744	1.2
237.03758	1.2
237.05856	1.0
238.04346	1.1
239.06113	7.1
239.08527	0.7
246.09200	3.1
247.09915	8.2
248.10371	0.5
249.07893	0.6
249.70740	0.5
251.09544	0.8
252.08015	5.7
252.10789	3.8
253.06773	3.6
254.06331	12.1
255.04665	7.2
256.05566	5.4
262.07025	0.6
264.10294	0.8
265.05545	9.5
265.10873	2.0
271.07855	1.3
272.07443	3.9
280.07901	43.4
281.08139	2.0
295.22583	1.2
296.12750	0.7
298.08963	34.2
299.09210	1.9
307.97946	0.7
319.77744	0.5
330.11569	43.8
330.30014	1.8
331.12021	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	330.1339
Annotation	Varadine
Peak:m/z	Relative Intensity
63.40444	0.6
67.05503	1.3
69.03417	1.5
69.07071	1.2
79.05485	1.9
80.05016	2.1
81.07067	1.6
83.01348	4.1
91.05475	1.2
93.07058	1.4
95.08624	0.8
96.89119	0.6
97.06537	5.0
98.98473	59.3
99.04404	0.9
100.98895	1.1
104.05003	0.8
105.05766	1.0
106.06546	1.9
108.90170	0.6
116.99461	1.2
117.05738	1.0
118.06570	1.0
120.08076	0.8
130.06535	1.5
136.07600	1.3
137.54195	0.7
144.08115	1.3
146.05995	1.0
146.09648	0.9
147.65176	0.6
148.99106	0.6
151.07544	0.6
156.08057	1.1
157.08835	1.1
158.09650	1.6
167.07304	1.0
168.08113	2.5
169.08844	1.2
170.09685	2.9
174.09190	3.7
174.99207	3.2
175.99536	0.7
176.98969	4.8
180.13913	0.7
181.08867	1.7
182.09738	3.1
183.10303	0.9
184.07585	1.0
184.11177	1.5
185.11984	0.9
186.09134	1.7
189.08975	0.7
195.10406	1.3
196.11198	8.5
197.12068	3.1
198.09204	2.5
198.12811	1.2
202.08592	4.6
202.12204	0.8
203.09415	1.3
204.13824	1.0
208.11136	1.8
209.08299	1.3
210.09146	2.4
211.09825	1.1
212.10765	1.4
213.11494	8.6
214.08594	3.2
214.12282	1.7
216.10181	8.5
223.09886	1.1
224.10693	16.9
225.11482	23.0
226.08664	2.6
226.12207	5.5
228.10172	1.0
228.13902	2.9
240.10199	1.8
241.10976	9.9
242.11740	2.9
251.09267	0.9
252.10248	6.3
252.99738	0.8
253.10928	1.3
254.08237	6.2
254.11810	11.1
256.13321	8.4
258.11456	0.7
263.58551	0.8
266.11517	0.8
268.13589	0.8
269.10504	12.4
270.11084	1.6
276.19583	1.3
280.09549	1.4
284.12817	100.0
285.13159	6.4
302.13757	1.6
312.12311	66.6
313.12466	4.2
330.13504	15.5
330.17642	3.3
330.24377	2.5
331.11664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05501	0.8
56.05036	1.3
57.03430	0.5
59.05006	1.3
61.87299	0.2
63.41312	0.3
65.43311	0.2
67.05496	0.7
67.22679	0.2
69.03422	0.7
69.07049	0.3
70.06589	2.7
70.33147	0.5
71.04994	0.4
72.08141	0.7
72.35261	0.3
79.05470	0.4
80.05016	0.7
81.03413	0.3
81.07038	1.0
82.06581	0.5
83.04967	0.5
84.04482	0.4
84.08138	1.2
86.09698	3.0
91.05477	0.6
93.07034	0.6
94.06538	0.5
95.04952	0.3
95.08620	0.6
96.08123	1.0
98.98464	25.4
100.07610	0.6
100.98889	0.4
105.07022	0.4
107.08594	0.5
109.10156	0.2
110.07189	0.5
110.09676	4.3
111.08103	0.4
112.11240	1.1
114.09215	0.3
116.07063	1.5
117.07029	0.3
119.08584	0.4
120.08121	0.4
122.09646	0.9
123.11649	0.3
124.11226	5.7
125.05973	1.8
129.10135	0.3
132.10236	0.3
134.09641	1.1
136.11192	3.9
137.12004	0.7
138.12823	0.3
145.10147	0.3
148.11194	1.2
149.12019	0.4
150.09157	0.4
160.11261	0.4
162.12775	5.1
168.10173	0.4
174.99258	1.8
175.99562	0.3
176.98911	2.1
177.15097	0.3
177.99234	0.3
180.13812	0.5
187.14459	0.5
188.14360	1.0
190.15910	1.1
194.11752	0.5
200.10268	0.8
203.13907	0.3
208.16954	1.2
211.14381	0.3
217.11868	1.0
218.15575	0.3
220.16962	0.5
234.14864	0.5
236.16431	7.3
237.16786	0.6
238.18062	1.1
252.15984	0.3
252.99832	0.3
254.17506	14.1
255.17786	0.7
258.18613	0.4
258.26123	0.3
276.19577	1.8
294.20645	6.5
295.21039	0.4
312.21671	16.1
313.22037	0.8
330.22736	100.0
331.23123	6.8
344.28098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05501	0.8
56.05036	1.3
57.03430	0.5
59.05006	1.3
61.87299	0.2
63.41312	0.3
65.43311	0.2
67.05496	0.7
67.22679	0.2
69.03422	0.7
69.07049	0.3
70.06589	2.7
70.33147	0.5
71.04994	0.4
72.08141	0.7
72.35261	0.3
79.05470	0.4
80.05016	0.7
81.03413	0.3
81.07038	1.0
82.06581	0.5
83.04967	0.5
84.04482	0.4
84.08138	1.2
86.09698	3.0
91.05477	0.6
93.07034	0.6
94.06538	0.5
95.04952	0.3
95.08620	0.6
96.08123	1.0
98.98464	25.4
100.07610	0.6
100.98889	0.4
105.07022	0.4
107.08594	0.5
109.10156	0.2
110.07189	0.5
110.09676	4.3
111.08103	0.4
112.11240	1.1
114.09215	0.3
116.07063	1.5
117.07029	0.3
119.08584	0.4
120.08121	0.4
122.09646	0.9
123.11649	0.3
124.11226	5.7
125.05973	1.8
129.10135	0.3
132.10236	0.3
134.09641	1.1
136.11192	3.9
137.12004	0.7
138.12823	0.3
145.10147	0.3
148.11194	1.2
149.12019	0.4
150.09157	0.4
160.11261	0.4
162.12775	5.1
168.10173	0.4
174.99258	1.8
175.99562	0.3
176.98911	2.1
177.15097	0.3
177.99234	0.3
180.13812	0.5
187.14459	0.5
188.14360	1.0
190.15910	1.1
194.11752	0.5
200.10268	0.8
203.13907	0.3
208.16954	1.2
211.14381	0.3
217.11868	1.0
218.15575	0.3
220.16962	0.5
234.14864	0.5
236.16431	7.3
237.16786	0.6
238.18062	1.1
252.15984	0.3
252.99832	0.3
254.17506	14.1
255.17786	0.7
258.18613	0.4
258.26123	0.3
276.19577	1.8
294.20645	6.5
295.21039	0.4
312.21671	16.1
313.22037	0.8
330.22736	100.0
331.23123	6.8
344.28098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01886	4.5
55.05506	12.9
57.03440	3.0
57.07077	12.2
67.05509	25.7
69.03444	2.9
69.07066	18.4
69.13770	12.4
70.06598	4.4
71.04991	2.7
71.08636	12.0
74.06068	11.3
79.05491	16.4
81.03417	13.0
81.07055	22.2
82.01070	1.8
83.04971	4.2
83.08628	5.1
85.06577	2.6
85.10186	2.9
86.06079	2.0
87.04431	2.9
88.07632	8.1
91.05482	9.7
93.07047	25.7
95.04978	10.5
95.08608	20.5
97.06536	4.1
97.10186	6.0
98.23565	3.8
98.98468	100.0
99.08109	6.2
101.06056	3.5
104.99306	5.5
105.03403	4.2
105.07023	8.6
106.08663	5.0
107.08585	9.4
108.03229	1.8
109.10172	10.5
113.09644	2.7
116.99537	2.6
119.08592	7.0
121.06539	2.6
121.10159	15.4
123.11695	2.6
125.09652	2.7
131.08595	3.4
133.10172	5.9
135.11679	3.6
137.09619	8.5
139.11177	4.9
147.11682	4.5
149.09618	2.7
149.13281	3.7
151.07539	2.4
151.11212	8.3
159.11658	2.3
161.13266	2.7
165.12775	3.3
174.99271	5.2
176.98940	6.8
179.14384	2.9
189.75661	2.0
193.12250	2.2
203.12834	4.0
221.15421	3.4
241.19495	3.3
249.22202	2.1
251.09724	1.9
252.99760	2.3
268.30103	2.3
270.28064	2.3
277.21634	64.5
278.21997	6.5
295.22668	78.1
296.23038	3.6
312.28821	2.8
330.12192	3.5
330.30014	9.8
330.33707	24.8
331.18906	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01874	4.3
55.05510	22.9
57.03438	11.1
57.07080	10.2
58.06606	3.5
65.61298	1.4
67.05503	59.0
69.03427	4.3
69.07067	24.0
69.95200	5.3
70.06591	6.0
71.04997	4.5
71.08617	7.8
72.07808	1.9
72.08147	12.3
73.49664	1.8
79.05490	17.7
81.03419	5.5
81.07057	48.9
83.04993	7.9
83.08620	18.7
85.06548	1.6
85.95046	1.6
87.04457	9.1
88.07635	8.9
91.05470	13.1
93.07052	23.1
95.04971	6.4
95.08607	24.0
97.06527	2.8
97.10172	9.6
98.98467	100.0
99.08085	7.4
100.98902	1.8
101.06022	33.6
102.09200	4.1
104.99270	7.7
105.03381	1.6
105.07015	10.2
107.08586	14.9
109.06464	1.8
109.10166	25.3
111.08105	7.0
113.05936	1.6
116.99505	2.4
117.07054	2.5
119.08606	12.7
121.10143	7.9
123.11686	9.4
125.09613	9.6
129.07042	1.8
131.08560	2.4
133.10156	6.6
135.08066	3.0
135.11691	3.3
137.09639	4.7
139.11156	7.9
141.12750	2.0
147.11690	6.6
149.13315	4.2
153.12761	2.4
155.10677	12.6
156.17516	10.6
161.13269	5.3
163.14922	2.0
165.12708	2.5
170.19048	3.9
171.11638	2.4
173.11714	23.9
173.13055	2.3
174.99242	5.3
175.11185	1.8
175.14815	2.1
175.99553	2.1
176.98912	7.4
179.14326	2.4
189.11218	9.2
193.12305	3.5
211.13359	5.1
241.19496	2.6
249.22313	2.0
254.99416	1.8
256.26297	12.5
259.20532	3.1
268.30011	18.8
270.27859	2.3
277.21619	30.9
278.22107	1.7
294.24289	3.6
295.22720	16.3
296.22974	1.5
314.20453	1.6
330.29993	41.3
330.33716	62.7
331.18921	7.3
331.30518	3.3
331.34088	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	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71598	1.5
55.01873	3.9
55.05511	12.7
57.03444	5.6
57.07067	6.2
66.27872	1.4
67.05502	23.1
69.03419	2.4
69.07068	11.6
70.06584	2.2
71.03571	2.1
71.05003	3.2
71.08614	4.4
72.08150	4.5
79.05489	13.7
81.07059	30.1
83.04979	5.6
83.08621	8.8
85.06562	1.6
87.04476	6.0
88.07603	3.6
90.97688	1.7
91.05484	7.3
93.07047	21.7
93.52071	1.3
95.04979	4.4
95.08606	17.2
97.06528	6.1
97.10183	2.2
97.74770	1.3
98.98471	100.0
99.08083	4.5
100.11271	2.2
100.98878	1.6
101.06004	5.6
104.99274	6.7
105.07040	7.3
107.08591	9.7
108.15810	1.4
109.10169	5.0
110.94511	1.5
116.99519	2.0
117.07017	3.0
119.08584	4.3
121.10128	4.8
123.11707	3.2
125.09639	2.1
129.47430	1.4
131.08580	2.5
133.10095	7.5
135.11687	7.5
137.09648	2.3
137.13261	1.6
139.11201	12.9
142.38132	1.6
143.08594	1.7
145.10194	2.3
147.11697	4.0
149.13297	10.5
151.11182	1.6
156.17500	4.0
159.11678	6.0
161.13277	2.7
173.13223	1.8
174.99228	6.0
175.01636	4.2
175.14828	1.9
176.98885	7.4
177.12767	4.2
179.63107	1.5
189.11263	2.4
193.12199	2.5
195.13820	14.6
200.56812	1.5
256.26425	2.4
262.98010	1.6
268.29971	7.8
268.68185	1.5
269.26730	1.5
270.27826	2.0
277.21594	18.6
295.22711	8.6
307.97894	1.9
330.16760	1.8
330.29947	13.6
330.33649	24.8
331.13055	3.2
331.18811	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01860	3.9
55.05511	50.3
55.05780	2.5
59.04982	1.4
62.82854	1.3
67.05507	19.1
69.03423	7.5
69.07064	10.1
71.08619	5.8
71.21073	1.5
79.01796	1.6
79.05505	14.1
81.03409	1.5
81.06632	2.0
81.07064	14.8
83.05003	3.0
83.08622	33.7
85.06548	2.0
91.05475	2.8
93.07043	7.9
95.08621	3.7
97.06566	1.3
97.10170	76.1
98.98478	19.7
99.08093	4.2
105.07037	2.8
107.08598	19.7
109.06540	2.1
109.10194	4.2
111.08105	2.1
117.07034	1.4
119.08596	2.0
120.12655	1.3
121.10173	1.8
125.09635	57.4
126.09937	1.7
133.10095	1.7
135.08049	4.4
135.11674	3.4
143.10667	3.3
145.34685	1.4
149.13284	2.6
151.11168	3.8
153.09088	4.6
161.13257	2.0
163.11203	1.7
166.96436	1.5
171.10162	18.5
176.98988	2.2
179.14334	3.1
186.64330	1.5
189.11220	100.0
190.11470	2.6
241.19646	1.9
259.20615	3.7
277.18561	3.4
277.21613	56.7
278.22021	4.5
295.22705	14.9
330.33554	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.3
55.05510	49.7
57.03433	12.7
57.07080	13.9
67.05511	97.8
68.94676	6.3
69.03439	6.4
69.07062	38.1
69.54552	28.4
71.05016	14.7
71.08637	22.4
74.06076	6.7
79.05504	67.1
81.03416	6.4
81.07060	100.0
83.04990	33.4
83.08629	32.2
91.05468	42.2
93.07044	100.0
95.04980	18.5
95.08608	74.5
97.06547	25.1
97.10153	11.4
98.22746	10.8
98.98466	83.8
99.08104	21.0
105.07013	33.0
107.04945	8.0
107.08594	41.9
109.06520	11.2
109.10182	19.3
111.08084	12.0
117.06970	7.8
117.64407	6.0
119.08582	24.7
121.10161	19.1
123.11687	6.4
125.09628	9.7
131.08589	14.2
133.10106	35.1
135.11691	32.8
139.11163	50.3
145.10147	11.2
147.11693	14.2
149.09651	7.8
149.13243	28.7
151.11185	17.5
159.11732	23.6
161.13315	15.3
171.11795	7.0
175.14919	7.5
177.12718	7.9
189.11237	9.9
193.12268	19.2
193.78807	6.0
195.13771	57.9
215.75668	6.6
219.80609	6.0
221.15280	6.0
259.20544	12.2
277.21661	68.9
295.22589	43.1
330.30228	11.3
330.33728	13.8
331.18866	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	330.3367
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.68128	0.3
57.07077	6.4
58.06585	0.5
62.06063	0.5
62.73513	0.3
64.84829	0.3
66.91013	0.2
69.68137	0.7
70.06588	11.7
71.08331	0.3
71.08631	3.0
85.10174	1.0
86.06058	0.4
87.19234	0.3
88.07628	14.8
92.86990	0.3
98.22623	0.3
98.98466	0.8
99.26936	0.3
102.09170	4.0
106.08663	8.7
200.03342	0.3
216.16115	0.3
256.46017	0.3
268.29984	0.5
286.30994	0.7
312.32599	6.2
313.32837	0.5
330.33633	100.0
331.33936	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	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30193	0.6
56.87315	0.6
59.40322	0.8
63.70305	0.6
65.88551	0.7
69.08990	5.1
90.97263	0.7
91.05465	0.8
95.08618	1.0
98.98471	89.0
100.98868	1.6
104.99250	0.8
106.75291	0.7
116.99492	2.3
119.08627	1.0
140.01117	0.8
148.07616	1.0
159.11769	1.4
174.99208	3.9
176.98924	7.6
185.04485	0.7
250.23869	0.9
288.16003	0.7
294.01904	0.7
331.18796	100.0
332.09058	1.0
332.14902	2.4
332.19064	5.6
332.22479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.9
60.04535	6.6
67.05511	1.8
69.19060	3.9
69.19462	2.9
70.06593	1.5
74.06075	2.7
78.61803	1.2
80.29532	1.2
88.07631	2.2
91.05456	2.0
95.08598	1.9
98.22717	2.8
98.98467	77.8
100.98853	1.4
104.99274	4.9
105.35460	1.3
116.99486	2.4
151.07599	2.8
158.96837	1.2
165.09082	1.4
169.33696	1.3
174.99222	4.6
176.98964	6.4
181.08580	1.9
204.10126	2.4
224.10614	1.4
252.99675	1.8
262.11884	1.5
299.12665	1.8
313.17728	44.1
313.21390	2.2
314.18234	2.3
330.33722	2.2
331.18777	100.0
331.30453	2.0
332.14896	6.9
332.19141	7.6
332.31628	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.9
57.03428	0.6
57.07077	2.2
58.06598	0.8
59.97536	0.6
60.04527	3.8
67.05511	1.8
68.61913	0.5
69.07066	0.7
69.96080	0.9
71.08645	1.0
72.04518	9.9
72.08166	3.0
79.05513	0.6
81.07056	1.6
83.05005	0.6
83.08616	1.0
86.06030	0.7
87.04481	0.7
87.38507	0.5
91.05457	0.9
95.04972	0.9
95.08612	1.2
98.22765	0.7
98.98474	48.5
100.98884	1.2
101.06019	1.7
104.99297	1.4
109.06505	0.6
109.10181	0.6
116.99490	1.0
118.06579	1.2
119.06927	0.6
119.08588	1.0
146.06021	1.9
147.06465	2.1
148.07381	0.9
149.07915	1.1
156.03760	0.6
156.17497	1.7
170.19060	1.1
174.09181	0.9
174.99243	2.2
175.09534	1.2
176.98972	4.2
183.06602	1.4
184.06949	1.7
202.08652	0.8
203.09004	1.3
214.06468	0.7
233.54556	0.5
236.10115	0.5
239.08740	0.5
242.24792	0.7
251.23691	0.5
252.99889	0.7
268.26532	0.8
268.30060	3.7
269.30325	1.3
274.08511	0.7
296.25949	1.9
313.17984	0.9
314.26849	4.1
330.29977	2.3
330.33621	11.7
331.18811	100.0
331.30228	2.0
331.34055	6.9
332.09256	5.5
332.15158	1.1
332.19009	5.4
332.27939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2245
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
51.71074	0.4
52.76106	0.4
53.74385	0.3
57.07064	0.4
59.18870	0.3
59.51907	0.3
62.09381	0.4
67.05493	0.4
70.03154	0.9
80.81537	0.4
81.07045	0.7
85.01173	0.4
91.05453	0.5
93.07040	0.5
95.08594	0.7
98.22820	0.5
98.97832	0.5
98.98470	9.9
100.58129	0.4
107.08577	0.4
109.10180	0.4
119.08614	0.6
174.99248	0.8
176.98927	0.6
178.84052	0.4
252.57320	0.4
308.99011	0.4
331.22433	100.0
332.14658	0.9
332.22794	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	331.2269
Annotation	Turricolol E
Peak:m/z	Relative Intensity
52.83122	1.4
53.72934	1.3
55.01872	5.5
55.05508	6.9
57.07075	3.7
60.04528	3.0
67.05512	29.1
69.07066	14.7
72.04525	2.0
74.06104	1.6
79.05498	5.5
81.03426	18.6
81.07049	17.5
81.07421	1.5
83.08612	3.9
85.02901	1.8
87.04501	1.8
88.07652	2.2
91.05487	6.1
93.07052	14.6
95.04967	51.8
95.08602	21.7
97.06538	4.5
97.10176	4.3
98.98467	100.0
100.98900	3.3
102.42905	1.6
103.81678	1.7
104.99277	6.8
105.07006	9.7
107.04942	3.4
107.08597	19.7
109.06519	4.7
109.10159	37.9
116.99518	2.7
119.08594	11.2
121.06513	5.4
121.10140	17.5
123.04429	28.9
123.05269	2.3
123.08078	6.1
123.11726	6.4
125.05981	3.4
125.09726	2.4
129.06996	2.2
131.08549	5.8
133.06499	3.4
133.10153	6.8
135.08044	2.3
135.11688	16.9
141.05444	19.2
141.16252	1.8
143.08583	4.4
145.06503	2.0
145.10133	7.1
147.08078	4.8
147.11714	6.3
149.05957	1.8
149.09679	4.2
149.13243	5.9
151.07571	2.2
151.11298	1.9
155.08586	1.9
157.10196	3.7
159.08020	2.6
159.11688	4.4
161.09612	2.8
163.14868	2.3
165.09091	2.1
169.10104	2.7
173.09613	1.8
173.13383	1.8
174.99242	5.5
175.11230	2.9
176.98953	9.6
177.16402	1.7
183.11748	1.8
185.09602	3.1
185.13310	2.7
187.11218	2.5
187.14844	4.9
187.58733	1.7
189.12810	3.0
189.16379	14.3
190.16901	1.9
191.10515	2.0
191.14432	1.8
191.17940	16.4
197.13309	2.0
199.14835	2.2
201.16452	1.9
203.10573	4.0
203.17902	2.5
211.14812	1.9
213.12782	4.4
217.12234	3.0
221.11699	3.9
223.13368	3.0
225.12764	2.8
231.13832	4.7
239.14297	2.5
249.14778	3.6
252.99739	2.5
253.15858	4.0
253.19562	2.5
257.15347	2.5
262.98047	3.0
267.21112	4.1
268.28891	1.6
275.16602	2.0
295.20557	19.4
313.18051	2.7
313.21631	43.7
314.21906	4.2
331.13385	2.0
331.19098	4.2
331.22672	45.5
331.30258	2.2
331.33923	2.1
332.14908	3.0
332.22501	5.0
332.31577	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16578	1.6
55.05506	9.2
57.03434	7.5
57.07079	95.4
58.06595	6.0
58.07412	1.5
67.05510	24.7
69.07068	14.9
69.81479	2.3
69.81783	2.5
69.84571	1.6
70.06599	9.7
71.06927	2.5
71.08635	64.5
72.08961	2.4
74.06094	1.6
75.04481	4.3
79.05464	2.2
81.07059	30.8
83.08622	23.6
85.10186	33.2
88.07636	12.7
89.07978	3.9
91.05477	13.3
93.07047	2.5
95.08609	50.3
97.10159	13.9
98.98469	56.7
99.11645	2.2
100.05982	1.6
102.09171	3.4
106.08673	6.7
109.10154	25.7
111.11755	3.6
123.11687	10.5
125.13231	4.0
137.13255	4.0
139.14813	1.7
151.14923	2.1
174.99254	2.5
176.98940	3.8
178.82378	1.6
219.29353	1.7
221.22743	2.2
239.23705	22.9
240.26843	2.7
257.24796	4.2
259.60028	1.5
313.27374	60.9
313.33020	5.4
314.27740	5.3
331.18848	22.1
331.22488	3.2
331.34003	100.0
332.09326	3.0
332.15067	1.9
332.18967	2.2
332.33237	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19349	1.0
55.05505	7.3
57.03427	4.0
57.07076	62.9
58.07396	3.1
60.04531	1.4
60.90842	1.0
67.05508	15.8
68.57531	1.1
69.07072	10.5
69.90668	2.3
70.06590	8.7
71.06930	1.5
71.08630	48.3
74.06076	1.6
75.04469	2.8
79.05518	1.7
81.07056	24.5
83.04987	1.5
83.08620	17.0
84.99712	1.0
85.10188	21.8
88.07623	12.3
89.07953	2.7
93.07056	1.5
95.08605	30.7
95.52991	1.0
97.10167	8.7
98.22747	1.4
98.98468	40.0
99.11704	1.4
100.98875	1.5
102.09167	3.8
104.99198	1.1
105.03387	3.2
106.08669	6.6
107.08990	1.4
109.10163	15.9
111.11683	2.8
123.11732	5.8
125.13248	3.2
137.13306	2.5
140.01099	1.3
151.14818	2.5
156.76593	1.0
165.16429	1.3
174.99278	1.9
176.98911	3.8
221.22647	1.7
239.23695	17.9
257.24823	4.5
313.27350	45.4
313.32684	6.3
314.27740	3.6
331.33990	100.0
332.34418	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	331.2845
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05517	13.5
57.03446	7.2
57.07081	100.0
58.06607	1.1
58.07411	1.8
67.05508	23.9
69.07075	18.0
69.74306	1.0
70.06586	1.9
71.04990	1.5
71.08636	67.5
72.08974	1.2
75.04502	5.2
75.55516	1.0
79.05514	1.6
81.07065	32.9
82.08553	1.0
83.08627	24.4
85.06561	1.4
85.10189	38.6
88.07654	3.6
89.06033	2.4
89.07997	1.4
91.05510	3.2
93.07071	3.7
95.08616	54.3
97.10191	13.4
98.98473	34.9
99.11728	3.6
100.98896	1.7
105.07060	1.9
106.08669	2.1
107.08584	1.7
109.10164	28.9
111.11738	4.0
119.08633	2.1
122.68869	1.1
123.11721	12.9
125.13300	3.4
137.13225	6.3
151.14845	3.1
165.16360	2.0
174.99326	2.6
176.98978	1.7
212.71356	1.2
221.22658	1.6
239.23680	26.1
239.90971	1.1
240.24043	2.0
253.25986	1.3
257.24722	7.5
313.27408	72.1
313.33075	2.8
314.27646	6.8
331.26379	1.7
331.33963	23.0
332.09088	3.1
332.14771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55833	1.7
55.05521	10.9
57.03429	6.4
57.07079	100.0
58.07409	3.2
66.30732	1.8
67.05508	23.4
69.07073	16.1
70.06590	7.1
71.08636	65.0
72.08981	2.3
72.67162	1.6
75.04486	2.9
81.07059	34.9
83.08625	24.2
85.10186	34.1
88.07616	6.8
89.06028	2.2
89.07967	2.0
91.05491	5.1
93.07051	3.2
95.08611	53.9
97.10179	13.1
98.97827	3.9
98.98475	73.7
99.11747	1.9
102.09203	2.1
103.07623	2.4
103.42609	1.9
104.99271	4.1
106.08691	5.1
109.10165	29.9
111.11722	4.3
112.12775	2.1
123.11696	10.5
125.13287	4.7
137.13278	5.7
167.76743	1.9
170.27802	1.7
174.99231	3.5
176.98993	5.5
189.77811	2.0
204.10255	3.3
221.22607	2.7
239.23721	24.5
257.24667	5.7
313.27383	75.2
313.33002	5.2
314.27539	4.5
331.34021	83.6
332.09207	6.9
332.14929	4.7
332.33475	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03427	4.9
61.02930	11.0
62.26337	1.7
69.03419	16.3
69.07195	1.6
70.36804	2.7
71.04991	3.8
73.02901	3.9
81.03401	5.2
85.02907	100.0
85.11111	1.7
86.09679	2.1
91.03950	6.3
96.62206	1.6
97.02894	25.2
98.22726	1.7
98.98459	16.2
99.04459	5.5
99.81436	1.6
102.82043	1.6
103.04035	1.5
107.04964	28.5
108.08125	3.8
109.02889	7.2
127.03921	25.2
135.04391	3.0
135.45038	1.8
145.04961	45.3
148.87325	1.7
152.07034	3.6
153.05466	18.0
163.06024	7.7
170.08141	7.8
173.06044	2.2
178.99164	1.5
180.08638	12.7
181.04982	19.7
210.03561	1.8
219.06529	6.6
233.08234	1.8
265.92102	1.6
275.12662	1.6
297.09644	2.2
332.13562	8.0
332.18124	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03959	0.7
56.96569	3.1
57.03432	1.6
58.96159	0.9
60.08165	0.7
60.97759	0.6
61.01158	1.1
61.02915	3.0
65.03943	1.2
67.05501	2.7
69.03426	5.9
69.34260	0.7
70.06578	1.4
70.13801	0.7
70.14137	1.2
71.04990	0.7
73.02915	1.7
79.05478	1.7
80.45750	0.6
81.03425	1.5
81.05845	0.8
81.07059	1.2
84.08119	2.6
85.02904	6.7
86.09689	3.4
87.04466	1.6
91.93309	0.7
93.05755	0.7
96.08146	0.9
97.02895	3.1
98.97597	0.8
98.98473	4.0
104.05329	7.8
104.10744	30.0
106.06554	4.6
108.08117	100.0
109.02893	0.9
109.08469	2.5
110.07152	0.8
114.03960	0.8
122.55468	0.7
123.06805	3.2
124.07594	17.6
125.02370	0.9
127.03893	1.0
129.10245	2.1
134.06021	10.7
136.07565	13.8
137.08311	0.7
147.11249	0.7
152.07063	67.3
153.07379	1.7
154.08641	1.9
164.05855	1.4
170.08104	6.0
173.01268	0.9
189.06018	0.8
190.03845	2.8
208.04836	4.0
219.01990	0.9
286.06061	3.6
288.10098	1.4
304.06976	2.4
314.05554	1.3
314.12347	37.3
315.12595	2.2
331.23489	0.7
332.06537	4.4
332.13403	63.3
333.06506	0.9
333.13739	2.7
334.85226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01859	3.9
57.03433	5.2
57.82463	1.8
61.02922	11.5
66.47636	1.5
69.03426	21.9
70.02617	2.6
70.02950	3.9
71.05009	2.3
73.02922	3.5
81.03399	9.2
85.02905	100.0
86.09695	2.0
87.04465	3.8
91.03956	6.4
97.02892	26.5
98.98460	8.5
99.04456	5.1
107.04953	31.7
109.02893	7.5
127.03910	25.4
145.04955	43.7
153.05476	15.3
163.06003	11.8
167.14908	1.6
170.08118	7.6
173.05942	2.8
180.08664	18.8
181.04973	12.2
218.11810	13.5
219.06546	7.9
261.07629	2.6
279.08594	2.9
297.09662	3.2
332.15015	26.1
333.15338	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	332.1494
Annotation	Drupacine
Peak:m/z	Relative Intensity
68.12151	0.4
68.45103	0.3
70.06583	0.4
86.09699	0.4
97.73108	0.3
98.98474	4.2
107.04931	0.8
117.66388	0.3
118.06632	0.3
120.08144	0.4
121.08891	0.9
122.09711	0.5
124.07634	0.3
133.08929	1.6
134.09666	1.1
136.11232	0.6
146.09647	1.1
148.11215	5.2
149.11978	1.0
153.05602	0.5
157.83188	0.3
160.11227	3.0
161.12000	8.5
162.12473	0.4
167.95564	0.3
174.09164	0.4
176.10699	2.0
185.16612	0.4
188.10762	0.7
189.11485	19.6
190.12062	1.1
192.10199	0.4
202.12344	1.3
204.10294	0.3
205.10957	3.7
214.12299	1.3
215.13013	2.4
216.13792	1.4
217.11009	1.3
217.14647	0.8
218.11716	0.4
220.13367	0.6
228.13815	2.9
229.01117	0.4
234.11258	15.0
235.11720	0.9
242.11777	1.7
243.12558	1.2
244.13373	0.9
245.14034	0.8
256.13348	2.9
257.10544	0.4
258.11267	0.6
260.16510	0.6
271.11935	0.4
272.12842	4.8
273.13211	0.7
288.15961	1.0
299.11517	1.4
304.19131	0.6
314.13989	0.6
332.14944	100.0
332.18604	14.9
333.15253	7.7
333.18903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65539	2.2
60.04527	18.1
62.06090	3.5
63.18116	2.4
67.05493	3.2
79.05501	3.6
81.07065	4.4
82.06560	2.3
95.08623	3.9
96.64577	2.3
98.98477	36.0
112.73589	2.4
134.09659	7.6
148.07568	4.6
149.08492	2.9
158.09555	3.5
166.87856	2.5
172.11095	3.0
176.10745	23.5
176.98842	2.8
177.11534	3.0
185.31003	2.3
197.47778	2.5
198.09161	5.6
199.09993	2.8
204.10229	12.5
211.95078	2.4
213.11620	4.4
214.12328	7.8
241.10876	2.6
243.31023	2.5
256.13348	100.0
257.13669	5.6
272.12906	3.2
276.66458	2.4
288.15994	4.8
296.25760	7.2
304.15485	18.3
314.13962	12.8
314.26883	7.1
332.14938	23.2
332.18396	4.9
332.21841	5.5
332.27972	11.5
333.20288	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	332.1493
Annotation	Drupacine
Peak:m/z	Relative Intensity
58.33875	0.9
60.04513	1.6
61.04531	1.0
69.03423	1.0
70.06608	1.4
70.36865	2.0
78.35406	1.0
88.07616	1.1
91.05509	1.3
98.22838	1.4
98.98463	15.9
101.89973	1.0
104.99312	1.1
105.06955	1.0
120.08108	2.6
121.10115	1.3
131.08530	1.1
148.07585	1.9
148.11197	2.6
155.03406	6.7
157.77702	1.2
158.09662	3.1
160.11240	3.2
176.10704	100.0
176.98953	1.5
177.11006	5.0
178.12270	5.8
190.08617	1.1
203.43260	1.2
204.10194	86.8
205.10788	6.4
228.13864	1.2
286.14343	3.0
308.97836	1.5
314.13855	3.5
332.14917	48.5
332.28067	6.1
333.15335	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1494
Annotation	Drupacine
Peak:m/z	Relative Intensity
53.03935	0.7
54.59221	0.3
55.01877	0.8
55.14677	0.3
56.71732	0.4
56.77965	0.3
67.01853	0.3
67.05495	0.6
68.05020	0.4
69.03429	1.1
69.52669	1.4
70.06609	0.4
71.04984	0.5
75.39270	0.3
79.01841	0.8
79.05475	0.7
81.07059	0.6
83.01339	5.0
91.05469	1.1
93.07044	1.0
95.01323	0.9
95.04984	0.6
95.08606	0.7
96.04479	1.1
98.98472	8.2
99.04457	13.6
103.03921	0.6
105.07043	0.5
106.18932	0.3
107.04903	0.4
107.08557	0.5
108.08118	1.4
109.02872	0.6
109.06535	0.5
110.09718	0.3
120.08106	1.0
121.06504	4.0
121.10139	0.3
122.09698	0.7
123.00744	0.4
123.04413	0.4
123.08030	0.3
127.03887	0.9
135.07980	0.4
136.07552	2.0
137.05989	0.5
139.07547	0.6
148.07570	1.2
148.11246	0.5
149.08354	0.4
150.09158	1.4
150.12729	0.4
151.07483	0.5
153.05553	0.5
155.03391	100.0
156.03719	2.3
167.07066	0.9
168.73013	0.3
176.10696	3.9
176.98936	0.9
177.11432	0.4
178.12276	42.3
179.12564	1.8
196.09698	0.6
204.10190	4.2
205.11000	0.4
254.11758	0.6
256.13358	0.7
258.31555	0.4
271.04318	0.4
271.13403	1.8
273.95773	0.4
286.14529	0.4
288.16016	0.5
289.05264	0.7
304.15292	0.4
314.13736	1.1
332.14929	71.2
333.15338	4.6
346.38797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
56.96562	1.1
57.07071	7.2
58.06609	1.2
60.04527	100.0
67.05513	2.7
69.03423	1.5
69.07075	4.2
69.21151	1.4
69.21548	3.4
70.06585	3.9
70.18319	0.7
71.08617	4.2
72.04514	24.0
74.06093	0.9
79.05501	2.1
80.94874	0.9
81.03453	1.2
81.07049	4.5
83.08612	1.8
84.04504	0.7
85.10190	2.2
86.06068	1.0
87.04469	15.0
87.38100	0.8
88.07632	4.7
90.05571	2.0
93.07049	1.0
95.08617	6.8
97.10147	1.3
98.23582	0.9
98.97784	1.2
98.98456	12.5
102.09194	3.2
109.10177	3.3
111.04464	1.0
111.11710	0.8
119.80502	0.6
123.11741	1.8
129.37715	0.7
150.11307	0.7
204.10242	1.8
205.21356	0.7
211.20663	1.2
243.00928	0.8
243.12698	0.8
261.14322	0.8
266.25009	1.0
270.27924	7.6
278.24951	0.9
279.23181	17.4
280.23633	1.1
287.11780	2.3
296.25824	12.5
297.26282	1.3
314.26880	30.4
315.27252	2.1
327.14130	0.8
332.15024	4.0
332.22202	4.1
332.27960	3.6
332.31543	22.0
333.09802	2.1
333.16763	7.3
333.20325	54.6
333.31839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.2
56.05029	0.8
57.07070	5.9
58.02960	5.0
58.06594	1.1
58.49609	0.5
60.04529	15.7
67.05509	5.0
68.05044	0.7
69.07070	5.7
70.02962	0.8
70.06603	0.6
71.01369	1.9
71.04986	0.5
71.08630	3.7
72.04519	100.0
73.02917	1.0
73.04859	1.0
76.43367	0.5
79.05479	1.7
80.44200	0.5
81.03380	0.5
81.07063	5.2
82.06628	0.5
83.04963	0.9
83.08629	3.6
84.04510	2.2
85.02914	1.5
85.10162	2.6
86.06060	4.1
87.04475	0.7
88.04002	2.6
88.07644	1.3
90.05548	0.8
91.05474	0.6
92.18845	0.5
93.07053	1.8
95.08622	6.7
96.04474	0.6
97.01339	0.5
97.10182	1.5
98.06068	0.7
98.98464	3.3
100.04000	1.3
100.13111	0.5
102.09159	0.7
107.08593	1.3
109.10184	2.8
109.10792	0.5
110.06051	0.7
111.04440	1.0
111.11758	0.6
114.95080	0.6
117.21892	0.5
121.10170	1.3
123.11710	0.9
135.11720	0.9
138.56155	0.6
143.33939	0.6
201.26372	0.5
204.10269	1.1
207.78090	0.5
211.61194	0.5
212.23734	0.9
213.22215	0.7
225.22026	0.7
242.24843	4.6
250.25273	2.1
251.23706	5.4
252.23639	0.5
266.24799	1.1
268.26337	12.1
269.26700	0.9
278.24872	2.1
279.23218	2.1
285.14661	0.5
286.27353	1.0
296.25851	18.6
297.26224	0.8
314.26889	28.4
315.27231	2.2
323.09042	0.6
332.09116	1.3
332.14841	1.6
332.18842	1.2
332.22125	2.0
332.27957	20.8
332.31387	1.2
333.16724	1.2
333.20337	13.2
333.28293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	11.4
57.07072	8.8
58.06599	7.3
60.04523	5.9
65.02879	0.5
67.05535	0.6
68.05033	1.1
69.07060	1.3
69.95614	1.3
71.08624	4.6
72.04523	3.0
74.02438	1.2
74.06076	11.9
81.07059	0.8
85.10194	2.3
86.06072	1.7
88.07628	38.7
91.05474	2.0
92.05827	0.5
95.08618	0.5
97.10173	0.6
98.22807	0.5
98.97601	0.6
98.98457	4.7
104.07124	1.0
118.08644	6.9
122.08134	7.3
149.05963	1.1
158.89635	0.5
204.10175	1.0
268.26358	0.5
270.28067	0.8
273.17596	0.5
284.29474	31.3
285.29745	1.8
296.25815	0.7
314.26877	1.3
314.30496	2.3
332.14883	1.5
332.31564	100.0
333.16821	1.0
333.20444	1.0
333.31891	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	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
55.15192	0.5
56.05038	11.1
56.96563	0.7
57.07077	8.3
58.06597	5.9
60.04527	7.9
67.05500	0.9
68.05022	0.7
69.07078	0.7
70.60629	0.8
71.08636	4.3
72.04512	2.3
74.06081	11.5
80.28553	0.5
81.07039	0.9
85.10182	2.2
86.06058	1.5
88.07632	35.3
89.07929	0.5
91.05484	0.6
95.08589	0.9
97.10203	0.5
98.98472	6.2
104.07096	0.6
105.07031	0.6
105.17552	0.5
108.08213	0.6
118.08662	7.0
122.08134	5.7
149.06001	0.5
150.06732	0.8
158.41357	0.6
165.09103	1.2
167.28284	0.5
176.10730	1.4
181.08507	0.7
204.10172	3.6
205.10938	0.7
240.26628	0.7
270.28040	0.6
284.29477	31.2
285.29785	2.2
296.29568	0.8
297.23593	0.6
314.30493	3.0
315.16193	0.9
332.15021	5.2
332.31580	100.0
333.16974	2.4
333.20428	5.4
333.31912	5.9
351.18539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10936	0.6
55.05513	1.5
56.05036	12.3
57.07077	7.6
58.06597	6.2
60.04523	15.9
67.05504	2.1
68.05013	0.8
69.07056	2.1
69.41711	3.8
71.08634	5.5
72.04143	0.7
72.04522	9.4
74.02420	0.8
74.06081	10.8
79.05468	1.2
81.07045	2.3
85.10172	2.3
86.06065	1.9
88.07632	31.7
91.05476	1.5
93.07056	0.9
95.08607	1.5
98.23402	1.7
98.98469	7.6
104.07081	1.0
105.06996	0.8
107.08597	1.2
116.49664	0.6
118.08672	5.6
121.06521	1.4
121.10161	1.2
122.08147	6.2
144.40381	0.7
149.05992	1.1
163.11143	0.9
163.19388	0.7
176.98981	1.9
204.10211	1.0
252.26788	0.7
270.27814	1.3
277.87668	0.7
284.26291	1.4
284.29480	29.9
285.29953	0.8
296.25919	1.5
296.29379	1.5
314.13821	1.0
314.26883	2.9
314.30533	3.5
332.09113	0.9
332.14841	2.3
332.18970	2.8
332.31577	100.0
333.16702	1.3
333.31970	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	333.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04307	1.4
55.35381	1.3
56.96567	62.1
57.03419	1.5
69.03425	2.0
70.57412	2.1
85.02914	2.7
97.02924	1.6
98.97582	22.3
98.98463	6.4
108.08118	12.5
108.71924	1.3
109.08450	6.1
110.97602	2.0
116.98627	6.1
124.07623	1.4
124.99123	15.5
127.00703	4.4
136.07600	1.8
137.05989	4.5
139.00597	1.8
143.00168	20.8
145.01570	1.6
145.04895	1.5
152.07111	7.2
152.98593	1.4
153.07437	4.0
155.00156	30.7
157.01714	6.5
158.99702	6.2
161.01233	14.5
170.99652	22.7
173.01228	92.1
174.01517	1.9
175.02808	10.5
177.00761	3.2
189.00710	100.0
190.01015	1.5
191.02281	51.5
193.03822	1.9
201.00735	13.4
207.01768	94.7
208.02200	3.0
212.02324	1.7
219.01770	51.3
221.71519	1.5
225.02895	3.8
231.01772	3.8
237.02811	19.9
243.05428	2.8
249.02727	1.7
269.03406	4.2
273.02841	4.1
287.04367	18.6
290.96545	2.0
305.05441	3.1
308.97708	1.8
314.12445	3.3
315.03860	74.4
315.12393	6.5
316.04303	2.4
332.13388	3.1
333.05234	54.6
333.09335	3.3
333.13727	7.2
334.05734	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93803	3.0
69.24348	12.9
72.08154	4.8
78.08698	3.0
83.19825	2.3
83.29995	2.9
84.08123	3.2
87.43374	2.4
98.22690	5.7
104.10751	42.3
108.08110	9.5
109.08453	3.4
127.58830	2.7
152.07060	5.7
215.81551	2.9
218.72636	3.1
233.39507	2.9
315.12534	5.5
332.13397	3.1
333.05835	100.0
333.13785	7.3
334.06122	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	333.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
55.05510	2.2
56.05038	7.7
58.06585	1.0
58.99585	7.3
61.01148	1.7
64.21221	0.7
67.05507	14.3
69.03424	1.4
69.07066	7.0
69.33125	3.2
69.33544	2.1
70.02943	0.9
70.06596	2.0
70.11506	0.8
71.04999	1.5
73.01135	1.6
74.00657	3.3
75.36118	0.8
76.02221	2.8
76.04000	3.3
79.05502	5.3
80.05016	2.0
81.07060	4.5
83.08598	2.3
84.04507	3.5
85.01136	2.0
85.06548	1.2
86.00657	28.0
86.99048	4.8
87.02693	1.8
88.02203	2.8
91.05483	9.6
93.07046	10.7
93.37930	0.8
94.06575	1.4
94.07384	1.1
95.04996	1.3
95.08604	8.4
97.00531	1.7
97.01120	21.9
97.06523	3.4
98.98471	12.8
99.02695	2.0
100.02181	2.1
105.07018	2.1
107.08605	5.2
108.08128	0.9
109.06471	1.1
109.10162	13.6
111.02681	1.3
111.08110	2.5
112.02209	1.5
113.00568	1.4
116.01681	19.4
116.05324	3.8
117.07028	1.9
119.08579	7.6
120.08045	0.9
122.09637	1.1
123.02673	1.0
130.05016	1.7
131.08578	1.1
133.10141	2.0
134.09630	1.3
135.08066	3.0
135.11766	1.0
136.11218	1.3
137.08563	2.0
137.09610	21.7
141.07291	1.3
143.02751	2.8
144.01137	2.9
150.12846	1.5
151.05775	3.4
152.10776	1.7
153.09131	1.5
154.12285	13.2
155.10695	1.1
162.02205	2.7
162.97667	0.9
166.12276	2.8
167.07047	1.1
169.06837	10.0
172.13333	7.8
173.11725	1.1
176.98895	2.2
177.07350	3.7
178.12311	1.8
184.11699	1.2
184.13287	10.4
189.03296	3.0
194.09889	1.0
195.08408	7.2
196.13367	1.4
212.11046	41.4
212.12720	2.6
213.09337	1.8
213.11273	1.3
230.12080	21.6
230.13965	15.4
231.12312	1.1
240.10533	12.9
246.14908	4.5
270.11633	1.1
287.14294	3.4
298.11099	13.9
315.13684	5.4
316.12094	3.3
316.15500	1.2
333.14804	100.0
333.18558	5.8
334.15976	7.8
334.20145	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	333.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07964	0.3
52.73211	0.3
52.78976	0.4
65.03924	0.3
69.03422	1.3
69.44614	1.6
71.04993	0.6
79.05491	0.4
81.03443	0.6
85.02909	0.9
87.04470	0.4
91.05492	0.4
93.07058	0.4
95.04978	0.5
97.02893	0.7
98.98470	6.1
99.04490	1.8
100.98888	0.6
103.03939	0.5
107.04979	1.1
107.08598	0.4
108.05315	0.6
110.09703	0.4
117.07014	0.4
120.08067	0.4
127.03898	0.7
134.09619	0.5
135.04417	1.2
136.04761	1.4
136.11183	0.4
137.05962	1.1
138.16780	0.3
141.05443	0.8
151.07574	0.6
152.10681	2.3
153.05525	0.8
154.05768	0.6
155.07059	0.4
157.47556	0.4
162.12895	0.4
171.09972	2.0
176.10789	0.5
176.99010	0.6
177.11057	0.9
178.12308	1.0
206.11760	0.4
218.44572	0.4
226.06400	0.3
236.12804	2.0
245.00757	0.4
258.11136	0.4
260.12994	0.4
306.17004	1.6
315.14078	0.5
316.15475	0.7
333.15195	100.0
334.16376	20.7
334.19858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
57.07061	0.7
63.17067	0.6
69.63545	1.0
69.63934	1.4
74.06078	0.8
74.36297	0.6
79.05495	5.4
81.07033	0.6
88.07621	3.3
91.05479	2.1
95.04984	0.9
98.98477	1.9
103.05457	4.4
105.07032	13.2
119.08607	0.9
120.05727	1.9
121.06493	5.0
123.08069	1.6
126.76729	0.6
132.10165	1.0
133.06479	0.7
135.04408	9.2
135.08061	5.0
139.07544	1.3
143.03188	0.5
150.06757	81.3
151.07550	9.4
153.09026	0.7
165.09113	100.0
166.09447	3.8
177.09065	1.7
180.07806	0.6
181.08595	1.2
195.10155	2.5
209.09634	0.9
223.11214	1.6
224.11966	0.6
225.09076	2.4
237.09149	0.8
239.10722	1.0
240.11426	1.9
242.09196	0.9
242.24844	2.2
247.12943	0.7
252.11386	1.0
253.08522	1.2
255.13857	1.9
257.11871	0.7
267.10043	1.1
268.10968	2.2
269.11414	0.7
283.13330	7.2
284.14044	1.1
285.11188	2.1
287.16415	1.8
300.13623	2.8
315.15912	5.1
315.19366	1.3
333.20322	35.1
334.16595	1.2
334.20697	2.4
334.29532	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.6
56.96566	36.9
57.07078	1.3
60.04548	0.8
69.04308	0.8
69.67111	0.8
69.67452	2.8
71.08625	1.2
71.95271	4.5
74.06085	1.2
79.05489	1.0
80.94843	1.1
84.96014	1.0
88.07631	3.8
91.74627	0.8
97.96792	7.3
98.22733	1.3
98.97586	2.7
98.98473	6.0
105.00175	1.9
110.97564	15.6
115.97824	4.9
116.98601	1.7
119.01742	1.0
123.01174	1.5
124.99097	1.0
128.98602	20.9
137.02672	1.0
143.00130	1.9
146.99638	11.1
151.04315	1.2
152.00101	1.8
155.03720	1.4
161.01216	2.6
165.00662	1.0
165.12758	1.9
167.15962	0.9
169.05327	1.7
170.01111	0.9
171.03287	2.4
175.02818	1.3
176.03630	1.4
176.98854	0.9
185.04836	1.8
185.67247	0.9
189.04349	2.5
190.05107	2.4
191.03784	0.9
203.05832	2.1
221.08337	1.1
241.11060	1.4
244.09818	1.0
245.10556	1.4
252.10500	0.9
263.09561	5.7
264.10361	1.3
265.11041	1.7
277.11060	0.8
281.10342	1.5
282.11386	1.5
284.29480	1.7
303.12665	2.5
311.11359	0.9
313.14740	2.1
315.16302	71.8
316.16586	5.4
331.15836	5.0
332.31549	9.5
333.17297	100.0
333.20206	4.3
333.31750	4.2
334.17697	6.6
334.27252	1.7
351.18433	16.7
356.18991	20.0
357.19272	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.01863	14.4
55.05499	26.1
57.03432	57.0
57.07074	65.2
61.02920	15.0
67.05506	19.6
68.23532	5.6
69.03437	36.4
69.07072	29.6
69.40952	8.7
69.41376	17.1
70.06580	9.8
71.04990	10.5
78.66465	4.5
79.05498	10.2
81.03397	13.1
81.07058	62.3
83.04581	4.3
83.04988	41.1
83.08624	15.1
85.02908	100.0
85.06535	23.4
87.04432	5.7
91.03953	13.0
91.05481	6.5
93.07040	10.8
95.08594	15.9
97.02900	26.4
97.03429	4.5
97.06512	9.9
97.10152	5.2
98.22669	10.3
98.98472	43.8
99.04450	8.5
99.08096	62.5
105.07014	4.8
107.08572	9.5
109.02859	9.9
109.06522	18.4
109.10165	72.2
111.08086	23.2
121.06490	8.7
123.08008	6.1
127.03902	20.8
127.11195	73.0
135.08057	16.3
135.11667	8.7
136.11214	6.9
137.06017	6.6
137.09573	6.9
137.13235	7.7
139.11118	5.2
145.04984	35.3
151.11182	13.0
152.10695	19.9
153.12744	68.8
155.14294	86.7
163.06079	6.2
171.13797	47.6
176.10738	6.7
176.98845	7.2
177.12709	7.6
178.12193	29.9
195.13792	18.1
205.10583	5.3
206.11739	25.8
218.44948	4.8
225.70412	4.8
236.16464	36.0
238.98209	4.9
253.14467	11.5
269.37634	4.4
316.15231	6.1
317.50330	6.2
333.15192	13.3
333.18854	7.0
334.16461	68.9
334.20169	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	2.2
69.29083	2.8
71.08610	0.7
78.84537	0.6
80.94856	1.1
98.22732	0.8
98.97634	0.7
98.98457	4.2
122.08125	0.7
149.41066	0.7
176.98959	0.8
191.82637	0.6
333.16998	4.2
333.20346	100.0
333.31790	2.7
334.16882	1.1
334.20584	6.8
334.29727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75704	0.9
57.03439	1.6
57.07062	2.8
60.04515	3.7
61.04836	0.9
67.05495	2.8
67.16880	0.9
67.54664	1.0
68.43848	0.9
69.07063	2.7
69.77810	1.2
69.78149	2.8
72.04530	7.2
72.30090	0.9
73.04884	1.3
79.05494	3.2
80.79704	1.0
81.07072	5.6
91.05495	4.4
93.07050	4.9
95.08601	3.8
98.98473	10.0
105.07011	7.0
107.08589	3.2
109.10168	1.8
117.07010	1.0
119.08583	4.1
121.10159	2.7
131.08585	2.8
133.10153	3.2
135.11678	3.3
145.10100	2.0
147.11609	2.1
159.11768	2.1
161.13321	1.1
176.99005	1.1
193.05011	1.5
200.10225	1.2
241.19543	1.5
244.23778	1.1
247.26642	1.1
259.20767	1.4
315.27170	3.6
333.09589	3.3
333.16776	6.3
333.20361	100.0
333.24167	10.3
334.16803	1.9
334.20627	7.2
334.24130	1.7
334.29517	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52104	0.4
56.05029	1.0
57.07075	1.1
58.06591	1.3
58.67468	0.4
60.04515	2.2
67.74519	0.5
68.41345	0.5
69.60032	1.9
70.06605	0.6
71.08628	0.6
74.06075	0.9
81.07060	0.7
86.06078	0.7
88.07642	6.4
95.60598	0.5
98.22708	0.7
98.64018	0.5
98.98473	4.5
104.07086	0.6
105.07051	0.6
109.10125	0.6
119.08558	0.6
125.48309	0.5
131.08583	0.6
132.10179	0.9
242.24802	6.0
247.13094	2.2
273.53723	0.6
286.27350	1.7
287.20023	0.6
302.24289	0.6
315.19339	6.9
325.59174	0.5
333.20361	100.0
334.20718	6.5
334.29504	21.9
334.33566	0.6
341.43384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	0.7
60.45044	0.4
69.97369	1.0
69.97685	0.6
88.07643	1.0
93.67796	0.5
98.98470	1.2
235.13013	0.7
242.25085	0.5
315.19379	0.7
333.20355	100.0
334.20697	8.0
334.29529	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	1.1
67.05519	0.7
69.07075	0.5
72.04517	6.1
73.04848	1.3
75.56091	0.5
82.76546	0.5
88.07652	0.5
98.98459	2.3
116.30553	0.4
117.01825	0.4
143.81412	0.4
221.11450	0.9
235.13025	1.1
251.12711	1.0
269.26752	1.0
297.26141	1.4
315.24039	0.5
315.27164	3.1
333.20346	100.0
334.16675	0.6
334.20657	7.4
334.29471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59509	0.4
56.05024	0.8
57.07066	1.6
58.06597	1.0
60.04533	7.6
61.04856	1.3
69.37991	2.7
70.06575	0.7
71.08615	0.7
72.04534	2.7
74.06090	0.7
76.02300	0.5
77.71017	0.7
80.94870	0.5
86.06105	0.7
88.07645	4.4
98.97578	1.1
98.98471	3.8
132.10208	1.1
176.98953	0.7
184.02747	0.5
193.05003	0.9
195.09955	0.7
235.13367	0.6
242.24805	4.6
280.23572	1.0
286.27432	1.5
287.11600	1.8
297.26077	0.9
315.27307	3.2
333.16815	8.0
333.20340	100.0
333.31937	1.6
334.17068	0.7
334.20694	7.3
334.29489	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06689	0.8
57.07055	1.2
60.04544	0.9
67.05490	2.1
67.57931	0.9
81.07057	1.4
91.05505	1.2
93.07026	1.3
95.08625	1.7
97.06564	1.0
98.98464	6.2
109.10126	1.1
110.27681	1.0
212.62198	1.0
268.75919	1.0
315.19333	30.1
316.19714	2.3
332.34381	1.9
333.14337	3.0
333.16983	3.7
333.20358	100.0
334.17099	1.2
334.20663	5.5
340.71121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1287
Annotation	6'-Hydroxy-3'-ketoveprisine
Peak:m/z	Relative Intensity
52.72046	0.8
55.67596	0.9
57.68760	0.8
60.04529	6.5
67.05500	2.4
68.05034	1.0
69.03430	3.1
71.04977	1.8
74.08466	0.8
79.05483	2.8
81.07034	2.2
83.01337	2.0
86.06081	2.0
91.05473	3.2
93.07018	1.9
95.04998	1.4
95.08607	1.6
97.06503	2.1
98.97614	0.9
98.98464	1.7
99.04466	2.8
105.07008	1.5
107.05045	1.0
109.06525	2.1
110.06102	1.1
111.04406	1.1
111.08082	3.1
112.07578	2.0
113.05932	1.1
119.08608	1.1
121.06480	0.8
122.09673	1.1
123.08051	3.1
124.07580	0.9
127.03946	3.2
129.07005	0.9
131.08510	1.1
134.09676	1.4
136.07629	1.1
137.05997	1.6
144.08125	1.3
148.14162	0.8
149.05933	1.2
150.09132	2.7
151.03860	1.5
152.07069	2.6
153.05437	1.5
155.03397	2.8
155.07095	1.0
160.07549	1.3
162.09074	0.9
163.10027	1.7
164.10703	2.5
167.07033	2.1
169.05060	1.0
169.08679	2.0
169.62776	1.1
175.07582	1.2
178.08640	2.5
179.07002	1.9
189.09149	0.9
197.08145	4.2
212.10739	1.3
214.08615	1.2
218.11874	0.9
228.10165	1.1
229.10959	1.9
230.11722	1.3
231.24440	0.9
232.09760	2.0
234.11385	1.5
234.14890	0.9
236.09044	1.3
244.13293	1.9
260.12875	2.4
261.46625	1.0
262.14395	2.8
272.12839	2.1
288.12256	2.2
290.13925	5.3
298.27396	1.5
306.13342	3.0
316.11844	5.0
316.28336	1.5
334.12848	100.0
334.16306	5.2
334.29553	4.8
335.13260	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	334.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
60.04511	0.4
69.03418	1.0
69.55791	2.0
70.06581	1.7
76.00552	0.5
79.05493	0.8
81.07053	1.8
84.04501	0.6
85.02913	4.7
87.05585	0.6
91.05478	2.6
95.04977	0.9
96.77354	0.5
97.02898	1.1
98.23448	0.9
98.98438	1.4
109.06528	1.9
116.07095	4.3
119.04934	1.4
119.81151	0.5
125.06018	2.9
127.03937	0.7
130.06570	0.5
132.08054	0.7
137.05981	100.0
138.06331	2.5
143.08174	2.1
144.08130	0.6
151.07590	3.5
153.05493	0.6
155.07030	16.9
156.07330	0.7
159.09152	1.1
163.07585	1.2
170.06007	0.9
175.07532	1.6
179.07114	2.4
189.09033	0.9
191.07001	0.9
191.08525	1.2
195.06528	0.6
203.07068	1.2
217.08548	0.6
219.08113	0.7
245.08112	0.8
261.05664	0.8
263.09085	2.3
299.11169	0.6
317.11337	0.7
334.16498	11.9
334.20056	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72597	0.5
57.03431	0.5
64.01263	0.4
65.03908	0.5
69.03421	0.7
69.49353	0.8
69.49766	1.3
70.06594	0.5
70.31704	0.4
79.05489	0.6
81.03391	0.5
81.07060	1.2
83.01342	0.7
85.02903	2.8
85.60652	0.4
91.05480	2.4
95.04942	0.6
98.22683	0.8
109.06527	1.6
116.07084	0.9
119.04930	0.8
125.05979	2.7
137.05977	100.0
138.06348	3.4
145.04994	0.5
145.95628	0.5
151.07547	3.5
155.07036	15.3
155.08307	0.9
156.07321	0.6
161.05969	1.0
163.07532	1.5
167.07100	0.5
175.07523	2.6
179.07091	2.1
189.09117	0.6
191.06966	1.1
203.07047	0.9
217.08690	1.0
221.08040	0.6
245.08183	0.9
254.08022	0.5
259.62811	0.5
263.09186	2.5
281.10037	0.6
334.16434	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	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.7
61.77431	0.4
69.03423	1.2
70.88754	0.6
73.02907	0.6
78.79512	0.4
79.05505	0.6
81.07032	1.0
85.02900	3.4
86.09676	0.7
89.87279	0.4
91.05487	1.9
91.88371	0.4
93.03371	0.4
95.04947	0.4
97.02902	1.2
98.98454	0.6
107.04942	0.9
108.08079	0.9
109.06513	1.7
110.88339	0.4
111.04429	0.4
119.04926	1.4
123.04395	0.5
125.05981	6.7
127.03932	0.7
135.05518	0.4
137.05972	100.0
138.06279	2.8
145.04961	1.5
151.07556	0.7
151.59300	0.4
152.07108	0.4
155.07024	26.4
156.07353	0.8
240.11079	0.4
244.33656	0.4
266.75391	0.4
293.11035	0.5
299.11246	9.1
300.11661	0.4
312.07861	0.8
334.16910	1.8
335.12216	0.6
335.16437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01878	0.3
61.02924	0.7
69.03423	0.9
70.06628	0.4
70.71241	0.6
76.59639	0.3
79.05496	0.5
81.03410	0.5
81.07049	0.4
85.02903	3.4
90.85936	0.3
91.03947	0.3
91.05474	0.4
94.04182	2.0
95.04977	0.4
97.02905	1.0
98.98463	0.4
104.33590	0.4
109.02894	0.4
111.04469	0.4
119.42379	0.3
122.03654	4.7
123.04434	0.9
127.03955	0.5
137.05980	100.0
138.06310	3.3
145.04961	1.2
155.03387	0.8
155.06999	0.7
222.58495	0.3
334.16898	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	334.1651
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
55.01873	8.0
55.05510	0.5
57.07066	1.1
60.04515	0.8
67.05510	0.9
68.05020	0.6
69.03429	1.7
69.07050	0.6
69.89665	0.8
69.90041	0.5
70.06597	3.0
71.04987	0.9
75.26588	0.4
79.05487	1.0
79.97594	0.3
80.05020	0.5
81.07047	1.3
83.04984	0.9
84.04488	0.7
84.08115	0.7
88.07617	2.0
91.05461	0.9
93.07036	2.2
94.06585	0.5
95.08613	0.6
96.04488	1.0
97.06522	1.1
98.06062	0.5
98.98454	0.3
99.04469	0.9
102.09153	0.5
105.07024	0.5
106.06571	0.7
108.04522	0.6
109.06499	1.0
109.91040	0.4
114.09172	1.3
118.06534	5.3
119.07327	22.9
120.08123	0.4
121.05239	0.8
121.06523	0.5
122.06033	0.5
122.09608	0.4
123.08098	0.6
125.05991	5.3
130.06506	0.5
131.07347	0.4
132.08095	4.6
132.10191	5.5
133.08876	5.9
134.09683	0.7
135.06776	1.4
136.07578	0.9
144.08072	2.8
145.08865	1.2
146.06024	1.8
146.09654	1.1
147.06715	0.5
148.07556	2.2
148.11237	0.4
149.08267	0.6
150.09088	0.8
156.08101	1.0
157.08893	1.0
158.06024	1.2
158.09669	2.8
159.06805	0.6
159.10376	1.4
160.07578	2.8
160.11241	1.2
160.27083	0.4
161.08368	0.8
162.09132	2.0
163.15051	0.3
164.06998	0.5
167.22031	0.3
169.08780	0.9
170.09627	1.0
172.07582	2.6
172.11218	0.9
173.08369	0.8
174.09135	5.3
174.12772	1.8
176.10692	0.4
176.12842	0.7
178.12325	0.6
184.11172	0.6
186.09119	2.4
186.12764	1.2
187.09920	1.8
188.10646	1.2
190.08673	0.6
191.13121	0.7
192.10132	0.4
194.08127	0.9
194.13872	1.2
195.08870	0.4
198.11189	1.1
200.10663	0.6
201.11398	0.3
202.12239	0.4
204.10222	1.4
204.13789	0.5
206.11812	0.7
214.12244	2.2
215.13007	0.7
216.10254	0.6
216.13893	0.5
218.11758	2.1
219.12544	1.1
220.09686	0.4
220.13350	0.5
222.11295	0.5
228.08102	0.4
228.10175	2.5
228.23221	0.7
230.11696	0.5
231.09993	0.4
231.12572	0.7
232.13326	5.1
234.11334	1.8
242.11806	4.1
243.12448	1.0
244.13362	0.7
246.11331	0.9
246.24313	0.5
247.12041	13.3
248.12396	1.0
260.12817	44.3
261.13220	3.4
270.14880	1.8
288.15939	5.3
289.16437	0.5
290.26935	0.7
295.24567	0.4
298.14297	0.8
306.13705	0.4
306.17050	1.0
316.15417	16.6
317.15680	1.2
334.16479	100.0
334.29504	22.3
335.16742	7.1
335.29913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1647
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
50.22188	0.5
53.03939	0.9
55.01866	0.7
55.05499	1.2
56.05023	0.6
67.05503	4.3
68.04697	0.7
68.05026	6.7
69.03404	1.9
69.07061	0.6
69.21479	2.9
70.06590	5.2
71.04979	1.3
71.08641	0.5
75.53491	0.5
79.05482	1.7
80.04995	2.0
81.07043	2.1
83.01318	1.1
83.04970	0.8
84.04498	5.8
84.94749	0.5
85.01126	5.0
86.06059	0.8
91.05466	2.3
92.50829	0.5
93.07024	2.4
94.06548	1.2
95.04968	0.9
95.08601	7.7
95.41423	0.5
96.04488	27.9
98.06053	10.8
98.23443	1.2
98.98463	1.0
99.04445	2.1
99.08099	0.8
102.03764	4.4
102.05583	1.1
105.07021	2.2
107.08566	1.0
108.08099	0.8
109.06495	1.0
109.10200	0.6
110.06046	0.8
111.08109	0.6
112.07558	0.5
115.05452	0.9
117.07014	2.0
118.06471	0.6
119.08576	2.2
120.08070	1.0
121.06510	1.8
121.10107	0.7
122.06046	1.1
122.09653	1.4
123.08076	4.0
124.07555	1.6
127.03893	1.6
128.06168	0.7
129.06975	0.9
130.06525	2.5
130.49911	0.5
131.08531	1.4
132.08066	2.0
133.06488	0.7
133.10117	0.8
134.09662	1.0
135.08023	0.7
136.07588	3.1
141.06839	0.7
142.07751	0.7
143.08559	1.3
144.08083	0.8
145.06494	1.1
145.10118	3.2
146.05998	2.8
147.08049	0.8
147.11670	0.7
148.07524	3.6
149.09651	0.8
150.09117	5.1
150.12778	1.6
151.09932	2.9
152.10678	1.4
153.05421	0.5
155.03383	6.3
155.07066	1.2
155.08528	1.2
157.10107	1.8
158.07278	0.6
158.09631	1.0
159.08032	1.0
159.09163	0.7
160.11212	0.8
163.07524	0.5
165.05435	1.0
167.07040	1.1
168.08031	0.7
170.05820	0.6
171.08112	1.0
173.09595	3.6
175.11159	3.2
176.10724	0.7
177.09055	0.7
178.12262	7.4
180.13789	1.0
181.08649	0.7
183.06525	0.7
188.07034	6.5
188.10635	1.1
189.12773	1.9
190.12202	0.8
195.33243	0.5
200.10612	1.3
201.09154	1.4
203.10681	0.9
205.09778	2.9
205.12234	2.6
206.11758	3.8
214.08591	0.7
215.10672	1.6
216.07608	0.6
219.10127	0.9
228.10124	0.8
228.13768	0.9
230.15459	1.3
231.10013	4.3
233.11749	4.6
236.12796	5.3
246.14880	0.7
256.13251	1.9
258.14899	1.9
259.12192	0.5
260.12775	1.8
278.13547	0.6
284.12701	1.1
288.15903	1.3
290.17502	1.5
306.17038	1.7
316.12003	0.9
316.15414	5.2
316.24792	2.3
334.16440	100.0
335.16830	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	334.1649
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	0.9
56.05018	0.4
57.03435	0.5
62.92239	0.3
65.03942	0.4
67.05506	4.3
68.05033	5.4
69.03430	1.5
69.07047	0.4
70.06592	4.2
71.05003	0.7
79.05495	1.7
80.05004	1.5
81.07050	0.8
83.01341	0.9
83.04965	0.4
83.64772	0.3
84.04505	4.5
86.06079	1.1
91.05496	1.3
93.07046	2.7
94.06550	0.7
95.04983	0.8
95.08613	6.9
96.04495	26.4
96.08141	0.4
97.06471	0.4
98.06053	9.2
99.04437	2.8
103.04711	0.3
105.07035	2.1
106.06580	0.7
107.04999	0.5
107.08579	0.6
108.08102	0.9
109.06508	0.9
110.06020	0.8
110.09722	0.4
111.08052	0.4
112.07612	0.4
116.61071	0.4
117.07037	1.0
119.08581	1.3
120.08132	1.2
121.06506	1.8
121.10126	0.5
122.06015	0.8
122.09663	0.9
123.04393	0.4
123.08081	4.4
124.07586	1.3
124.08414	0.4
127.03964	1.6
128.06232	0.7
129.07005	0.8
131.08571	0.7
132.08121	1.8
133.08896	0.6
133.10112	0.4
134.06006	0.6
135.04381	0.5
135.08025	0.6
136.07582	3.4
137.05988	0.4
137.09656	0.4
139.03873	0.5
141.05476	1.1
142.07782	0.5
143.08572	0.8
145.06523	0.6
145.10112	1.5
147.11679	0.7
148.07570	3.4
148.11206	0.5
149.08377	0.8
149.09668	0.3
150.09148	5.7
150.12781	1.3
151.09926	2.1
151.11105	0.5
152.10770	0.6
155.03381	11.4
155.07033	1.5
155.08434	0.5
157.10120	1.4
158.07347	0.4
160.11206	0.6
161.09581	0.4
162.12750	0.4
164.10808	0.7
165.05481	0.8
167.07053	1.1
171.08087	0.5
172.11140	0.4
173.09593	2.6
174.10329	0.4
175.07495	0.7
175.11208	2.0
176.10750	0.8
177.09131	0.6
178.12265	7.6
180.13837	0.5
183.06526	1.1
183.07970	0.4
184.07239	0.5
186.09152	0.5
187.11139	0.8
188.10738	1.2
189.09035	0.4
189.12776	1.1
190.12286	0.9
191.06931	0.4
200.10701	0.5
201.09081	1.1
201.11484	0.4
205.12160	2.1
206.11765	3.8
207.12500	1.2
215.10742	2.1
218.09453	0.5
218.11681	0.5
228.10156	0.8
228.13916	0.7
230.15385	1.7
231.10207	3.1
233.11763	4.9
236.12840	1.3
240.13794	0.7
256.13321	0.7
258.14886	1.7
260.12860	1.5
288.15952	1.2
290.17487	1.0
298.14465	0.7
306.16965	2.3
308.48154	0.4
316.15408	6.1
334.16486	100.0
335.16788	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	334.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60978	0.2
55.01877	0.3
55.70843	0.3
57.03435	0.3
59.04992	0.5
61.02912	0.8
67.05508	0.4
69.03427	3.6
70.06596	4.3
71.05000	0.4
79.05484	0.3
81.03402	1.2
81.07053	0.5
82.06551	0.3
83.04990	0.5
83.07356	0.3
84.08139	0.9
85.02410	0.4
85.02907	7.3
86.09741	0.3
87.04467	2.2
91.05486	0.7
93.07031	0.4
95.04945	0.4
97.02899	1.3
99.04448	0.8
105.07025	0.5
106.06554	0.6
107.08627	0.4
108.08098	0.4
109.02898	1.6
110.09645	0.6
115.03936	1.9
120.08092	0.6
122.09666	0.7
127.03919	5.4
132.08080	1.2
133.10103	0.4
134.09645	1.2
136.11203	1.1
143.06924	0.6
145.04980	1.8
150.08987	0.4
150.12788	1.0
152.10727	1.8
155.07106	0.6
158.09654	0.9
160.11217	5.8
164.10748	0.5
164.14333	0.3
167.07014	0.4
172.13353	0.4
176.10724	5.0
178.12271	100.0
179.12598	3.8
180.10214	0.4
183.06570	0.3
190.12225	0.6
204.10194	3.0
206.11766	47.8
207.12115	2.0
226.65654	0.3
236.12775	1.0
259.08084	0.5
272.16544	0.5
288.15952	0.5
290.17416	0.3
306.17007	0.8
316.15564	0.9
334.16476	52.0
335.16727	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.6
55.05506	0.8
56.51770	0.5
57.03428	1.7
57.07075	7.8
67.05502	1.3
68.05029	0.6
69.03423	4.2
69.07043	0.6
70.06587	5.2
71.01337	1.0
71.04999	1.1
71.43713	0.6
73.02905	1.5
79.05474	0.9
80.05022	1.2
81.07059	1.3
82.06594	1.2
83.01329	0.6
83.05032	0.5
84.08131	4.0
85.02892	3.2
85.06538	8.2
86.06082	0.5
91.05470	1.2
93.07022	1.5
94.06560	0.7
95.01379	0.6
95.04984	0.9
95.08604	1.4
96.04536	0.6
96.08134	1.2
97.02879	0.9
97.06516	0.6
98.06055	0.6
98.09677	1.3
99.00776	0.7
99.04433	1.1
102.05527	2.1
103.03950	0.7
103.07599	1.2
105.07041	1.0
106.06564	4.8
108.08093	1.6
109.06501	1.1
109.10175	0.9
110.09676	1.6
111.08057	1.7
113.02377	1.2
113.06091	0.5
116.07052	0.7
120.08054	1.2
122.09621	0.9
123.08018	0.8
123.10403	0.7
124.07568	1.9
124.11235	6.7
127.03885	1.5
131.03383	0.9
132.08093	1.0
134.09657	15.7
135.08080	0.6
136.07558	0.6
136.11220	1.5
137.05954	0.7
137.09631	0.8
138.09180	0.7
139.07523	0.6
141.01813	1.9
150.09100	0.8
150.12782	1.3
151.03839	0.6
152.10696	100.0
153.11072	3.1
153.12352	0.4
159.02899	0.6
159.08107	0.7
159.10155	8.3
160.11182	3.2
160.96233	0.6
167.07019	5.7
176.10690	2.3
177.11174	1.4
178.12268	40.8
179.12642	1.6
183.06555	0.6
187.07658	0.5
188.10690	0.9
190.12267	0.9
201.11166	0.8
202.82896	0.5
204.10190	1.8
206.11763	21.8
206.15468	0.8
207.12053	0.6
218.11797	0.6
220.13342	0.6
236.12769	3.6
236.16464	0.8
243.08852	0.6
251.12695	1.6
260.16544	1.0
261.03024	0.6
276.15829	0.6
288.15829	0.7
290.17542	1.1
306.16907	0.9
316.15375	7.2
316.18750	0.7
316.24615	1.1
317.12170	1.2
334.16440	88.7
334.20157	34.3
334.25385	2.8
335.13348	0.9
335.16748	5.7
335.20462	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	334.165
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
67.01862	0.2
67.05496	1.0
68.05089	0.2
69.03425	0.8
69.61015	0.9
70.06584	0.3
71.04989	0.8
80.05025	0.2
81.07059	0.5
81.31304	0.2
83.01347	0.3
84.08136	0.4
85.02891	0.4
90.35213	0.2
91.05470	0.4
95.04966	0.7
98.06066	0.6
98.23519	0.2
98.71683	0.2
99.04449	0.7
105.06976	0.3
106.06577	1.0
107.08611	0.4
108.08122	2.0
109.06502	1.4
109.08913	0.3
110.09678	2.9
112.11280	0.3
113.05952	0.3
119.04931	0.3
120.08155	0.3
122.09647	2.4
123.04419	0.4
123.08079	0.5
123.10450	1.1
124.11214	0.5
124.61123	0.2
126.09206	0.3
127.03905	0.9
127.07578	0.3
132.08144	0.5
133.08934	0.2
134.09647	4.2
136.11195	1.2
137.05983	1.9
138.09085	0.2
141.05466	0.3
150.09131	0.3
150.12772	0.6
151.03891	0.8
151.07555	0.8
151.09920	1.7
151.11008	0.2
152.10703	16.3
153.11011	0.6
155.03394	0.4
155.07013	1.9
160.11215	0.9
161.11998	0.3
162.12749	0.6
165.05469	0.9
167.07028	0.4
169.04956	0.4
169.08591	1.4
172.11215	0.3
176.10696	0.5
178.12270	4.6
179.06938	0.4
180.13826	0.5
183.06506	1.4
190.12276	0.9
197.08058	2.3
200.10715	0.3
201.15189	0.3
206.11725	0.9
213.73813	0.2
214.12193	0.3
217.10854	0.3
218.11795	1.0
232.09663	0.2
236.12822	6.0
236.15199	0.4
240.13699	0.5
251.77184	0.3
256.13333	0.2
258.14957	0.3
260.12839	1.4
288.15900	3.1
306.16959	7.9
307.17245	0.6
316.15561	1.8
319.14087	0.4
334.16470	100.0
335.16809	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	334.1651
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
58.37932	0.3
70.06539	0.9
84.08168	0.4
91.05479	0.7
98.06020	0.4
102.67957	0.4
108.53416	0.4
120.08064	0.5
132.08089	1.3
132.15994	0.4
134.09615	0.5
137.05974	0.7
150.12793	0.5
152.10709	0.6
158.09674	0.9
160.11223	5.7
164.10713	0.7
176.10719	6.3
178.12273	100.0
179.12665	3.7
188.10738	0.8
204.10211	4.2
206.11769	56.0
207.12131	2.1
306.20660	0.4
316.15427	0.5
334.16498	48.2
335.16968	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	334.1649
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
54.34057	0.4
60.36926	0.4
64.34355	0.4
66.54469	0.5
67.05496	0.7
68.05032	0.6
69.03426	3.5
69.54393	2.0
70.06239	0.8
70.06595	11.8
71.04983	0.5
79.05503	0.6
83.04956	0.5
83.07347	0.8
84.08145	4.1
85.02885	0.5
89.66796	0.4
91.05477	1.1
91.21786	0.5
93.07041	0.9
97.08862	0.4
98.05992	0.4
105.07030	0.7
107.04906	0.5
108.08094	1.1
110.09681	0.8
111.08076	2.0
115.49914	0.4
121.06554	0.5
122.09711	0.5
127.03868	0.5
131.04938	0.4
132.08083	1.8
134.09657	1.8
136.07635	0.5
143.08524	0.5
150.12827	0.8
151.07498	0.6
152.10693	1.8
153.12823	0.4
158.09610	1.3
160.11211	7.4
170.09550	0.5
176.10703	5.7
178.12268	100.0
179.12633	4.4
188.10670	2.7
189.11627	0.6
190.12300	1.0
204.10211	3.0
204.82635	0.4
206.11766	52.6
207.12158	2.4
217.04807	1.1
226.77423	0.6
228.78366	0.5
236.12650	0.7
246.11153	0.7
263.09018	0.8
265.10651	2.3
271.85727	0.4
274.41196	0.5
288.16028	0.6
299.75620	0.4
306.16986	0.7
316.15561	2.4
317.15494	0.6
319.14212	0.9
334.16476	97.2
335.16757	8.2
335.20688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.0
69.03426	0.7
70.06587	0.6
70.95976	0.3
71.04984	0.9
71.17532	0.2
79.05501	0.3
81.07049	0.4
83.01366	0.4
84.08137	0.5
85.02901	0.2
87.28119	0.2
89.24112	0.2
90.02351	0.2
95.04964	0.8
98.06058	0.7
99.04448	0.8
101.75211	0.2
106.06565	1.7
108.08137	2.0
108.09172	0.2
109.06534	1.4
110.09674	2.8
111.32763	0.2
120.08127	0.4
122.09665	2.3
123.04456	0.5
123.06808	0.3
123.08054	0.8
123.10443	1.1
124.11236	0.4
126.09177	0.2
127.03919	0.6
127.07518	0.3
132.08102	0.6
134.09660	4.4
136.11218	1.1
137.05986	1.5
138.09113	0.2
141.05438	0.4
148.11235	0.5
150.09158	0.6
150.12772	0.4
151.03903	1.0
151.07532	0.7
151.09940	1.2
152.10699	16.5
153.05426	0.2
153.11090	0.6
155.03444	0.5
155.07018	1.9
155.77147	0.2
160.11195	0.9
161.11945	0.3
162.12808	0.8
164.14384	0.3
165.05492	1.5
167.07025	0.3
169.04976	0.6
169.08624	1.8
172.11238	0.4
176.10687	0.5
178.12273	4.1
179.07178	0.4
180.13892	0.3
182.05760	0.2
183.06520	1.3
190.12320	1.0
197.08060	2.2
200.10698	0.3
206.11739	0.7
216.89243	0.2
217.76257	0.2
218.11758	1.2
224.10747	0.2
228.13866	0.2
236.12805	5.8
236.15166	0.4
237.13072	0.3
240.13843	0.2
256.13318	0.4
258.14648	0.4
260.12857	1.4
260.56006	0.2
276.16043	0.2
288.15927	2.8
290.17371	0.3
291.14636	0.2
306.16965	8.1
307.17404	0.5
312.54440	0.2
316.15479	1.7
319.14182	0.5
334.16470	100.0
335.16785	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	334.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37932	0.3
70.06539	0.9
84.08168	0.4
91.05479	0.7
98.06020	0.4
102.67957	0.4
108.53416	0.4
120.08064	0.5
132.08089	1.3
132.15994	0.4
134.09615	0.5
137.05974	0.7
150.12793	0.5
152.10709	0.6
158.09674	0.9
160.11223	5.7
164.10713	0.7
176.10719	6.3
178.12273	100.0
179.12665	3.7
188.10738	0.8
204.10211	4.2
206.11769	56.0
207.12131	2.1
306.20660	0.4
316.15427	0.5
334.16498	48.2
335.16968	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	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.0
66.99419	1.7
70.62005	1.6
70.62315	2.1
79.29620	1.6
82.99871	1.8
97.02847	2.0
98.97597	4.9
101.00899	25.4
109.95406	1.8
113.00884	7.4
119.01917	24.0
123.05566	5.0
128.98582	4.2
131.01927	22.5
142.20116	1.8
143.01927	2.9
145.03462	3.8
149.02959	2.7
155.00085	3.0
155.01929	6.0
156.03577	2.0
161.03018	4.7
169.03448	4.8
173.01215	8.2
173.02969	6.7
187.04530	15.2
190.98599	2.5
191.02290	5.5
191.03978	2.6
197.02946	2.6
199.04553	2.2
208.99895	2.1
215.04008	70.5
216.04175	3.5
219.01677	2.1
227.03999	12.4
228.04352	1.9
233.05066	100.0
234.05219	7.2
245.05099	17.6
251.06161	3.4
263.06189	8.6
275.06195	6.0
299.00916	2.2
317.01767	2.2
335.07016	41.5
336.07901	3.1
336.17740	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.0
58.99866	1.2
62.83488	0.9
66.80128	0.9
69.40243	4.3
70.06588	2.9
71.05016	1.0
77.00936	1.1
82.99872	4.9
84.04495	1.2
84.08146	2.4
85.02905	1.4
86.99306	1.4
94.99848	1.4
97.02893	3.0
98.22727	1.2
98.98470	6.9
101.00880	32.2
103.02390	1.1
104.02497	1.1
109.02933	1.2
110.07152	3.0
110.97515	1.1
113.00885	11.6
113.04523	1.6
113.76749	1.1
115.02425	6.2
119.01923	34.0
120.02026	2.9
123.05562	9.7
127.02434	3.6
129.04001	3.1
129.10284	1.4
131.01912	26.4
131.05560	10.7
132.01997	1.6
133.03517	6.6
137.00861	4.2
143.01909	99.5
144.01999	7.1
145.03470	10.0
147.01422	1.4
147.05013	3.3
149.02983	2.3
149.06599	10.5
152.06851	1.2
155.01903	39.4
155.05540	6.2
156.02654	3.4
157.03471	5.1
159.05075	5.8
161.02968	97.6
162.03098	5.5
167.05559	3.5
169.07143	1.5
171.05045	3.1
173.02986	24.6
173.06595	40.3
174.06818	2.6
175.04559	3.4
175.12024	1.5
177.06111	4.4
184.04576	1.8
185.03023	3.5
185.06593	39.8
186.06839	2.9
187.04575	1.7
187.08188	8.4
189.51924	1.1
191.07646	8.3
196.05716	2.9
197.03009	2.2
197.06602	3.6
198.07231	1.3
199.08180	3.4
199.39639	1.1
201.06113	2.8
203.04025	13.7
203.07658	16.8
204.07874	1.7
209.06668	1.5
215.03987	1.2
215.07664	18.0
215.09584	2.1
216.07906	1.9
217.09196	1.8
219.07205	1.2
221.05075	26.5
222.05321	1.6
227.07693	4.1
233.05113	3.0
233.08681	3.5
245.05075	4.9
248.69580	1.3
257.08716	9.1
260.48306	1.2
261.03839	1.1
263.06027	1.2
275.09787	54.3
276.09949	7.5
293.10834	100.0
294.11002	9.9
316.12399	2.6
335.11890	98.4
336.12085	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.45214	0.5
60.04499	0.5
67.05498	1.3
79.05457	0.7
80.94857	0.5
81.07040	1.4
87.40696	0.5
91.05464	0.5
93.07052	0.5
95.08566	0.8
97.23476	0.4
104.99272	0.5
105.07076	0.8
144.37601	0.6
226.78778	0.5
235.12924	0.7
283.73465	0.5
288.92255	0.5
317.20633	0.7
335.21909	100.0
336.18045	2.4
336.22263	7.2
336.25888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
58.31485	0.4
61.52848	0.4
67.05498	0.9
70.94460	0.4
76.52709	0.4
78.89199	0.4
86.89958	0.4
95.08614	0.6
95.38759	0.4
294.55444	0.4
335.21933	100.0
336.18375	0.8
336.22269	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.8
57.03433	2.0
61.84584	0.2
67.05503	7.0
69.07072	1.7
72.00432	0.2
79.05486	3.5
81.06570	0.3
81.07052	5.8
81.89029	0.2
83.04997	0.3
83.08624	0.6
91.05473	1.7
93.07042	3.6
95.08604	5.2
105.07030	0.8
107.08588	1.8
109.10130	1.6
117.07008	0.4
119.08569	0.9
121.10146	1.8
123.11710	0.5
131.08557	0.5
133.10129	0.4
135.11717	0.5
139.47990	0.2
147.11710	0.4
149.13234	0.3
163.84021	0.2
175.14908	0.2
239.49466	0.2
292.48859	0.2
298.76093	0.2
335.21936	100.0
335.25729	9.4
336.18042	1.5
336.22290	7.3
336.25980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82079	0.5
59.28249	0.5
59.69790	0.5
64.93426	0.6
69.54805	1.2
69.55213	1.5
80.94863	0.6
81.07061	1.2
93.91187	0.5
95.08578	1.1
98.23410	1.2
113.22711	0.6
288.92050	0.7
335.21915	100.0
336.22119	6.1
336.25107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73827	0.5
55.05512	4.0
56.96594	0.5
57.03439	3.4
57.07077	0.7
57.19500	0.5
61.82306	0.5
65.04652	0.6
65.52551	0.5
67.05507	13.4
69.07065	3.6
70.11572	0.5
70.11904	1.2
71.05004	0.9
79.05499	6.5
81.07063	12.3
82.02703	0.5
83.08628	1.4
85.06543	0.5
91.05479	3.6
93.07047	9.4
95.04978	0.7
95.08609	12.8
97.10149	0.7
105.04578	0.6
105.07006	2.5
107.08588	4.7
109.06510	0.6
109.10153	4.4
111.08146	0.6
117.07040	0.9
119.08595	2.2
121.10153	3.3
123.11726	1.2
125.69005	0.6
131.08560	2.7
133.10161	1.8
135.11737	1.9
137.09674	0.7
137.13297	0.6
145.10101	1.3
147.11667	1.3
149.13272	1.5
159.11687	1.4
163.14868	1.0
173.13283	1.6
175.14651	0.6
177.16342	0.5
187.14806	0.9
221.11481	0.6
233.11856	1.0
243.21196	0.9
261.22119	1.7
317.24991	0.7
335.21948	100.0
335.25839	22.5
336.18054	4.2
336.22290	7.0
336.26053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
56.02495	0.3
64.86916	0.4
66.45036	0.4
67.05502	0.6
69.66151	0.9
73.29424	0.3
73.74017	0.4
81.07036	0.5
84.08191	0.4
92.24726	0.4
93.83217	0.5
95.07811	0.4
158.70810	0.3
202.55779	0.4
243.25157	0.5
265.14154	0.5
275.98514	0.4
317.20892	1.0
335.21912	100.0
336.18045	1.2
336.22177	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
57.03434	0.5
67.05494	1.2
69.83134	0.7
79.05513	0.7
81.07058	0.8
93.07043	0.5
95.08593	0.8
98.22729	0.4
98.98450	0.5
109.10132	0.4
121.10123	0.3
130.10730	0.3
237.91440	0.3
329.33688	0.4
335.21924	100.0
336.18088	1.6
336.22302	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	335.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
53.85786	2.5
55.01866	3.2
55.05516	21.0
57.03440	15.8
57.07063	8.5
62.24123	2.3
63.73766	2.5
67.05161	4.5
67.05503	66.2
69.07069	26.8
69.88588	7.7
71.04993	25.7
72.97856	2.2
74.47681	2.2
77.03942	2.8
79.05493	47.3
81.07059	66.2
83.08606	7.9
85.06549	3.7
91.05476	67.0
93.07050	65.6
95.04964	24.1
95.08607	47.5
97.06542	7.0
103.05459	4.1
105.04517	2.7
105.06346	5.5
105.07030	89.1
107.08600	52.0
109.06549	12.2
109.10150	33.8
111.08067	3.5
115.05418	4.3
116.06259	7.6
117.07014	20.8
118.97266	2.3
119.06091	4.1
119.08582	78.0
121.10156	32.3
123.08110	12.4
123.11671	7.6
128.06224	12.8
129.06995	17.2
130.07750	6.8
131.08565	85.8
133.06448	3.4
133.10126	100.0
135.08011	17.2
135.11676	15.3
137.09586	4.8
137.13216	3.1
141.06999	5.0
142.07793	18.7
143.08557	39.2
144.09322	5.8
145.10127	69.0
146.10481	2.8
147.08069	6.6
147.11668	18.0
149.09599	10.3
149.13229	5.7
153.07047	2.7
154.07762	2.8
155.08575	13.9
156.09334	17.8
157.10133	48.0
158.10921	22.0
159.11705	25.1
161.09576	10.4
161.13232	6.2
163.11209	4.4
165.06932	4.2
167.08530	6.9
169.10136	19.9
170.10864	8.7
171.11688	36.9
172.12390	4.7
173.09744	2.6
173.13264	61.5
174.13670	3.4
175.11267	2.9
175.14833	18.6
178.06416	2.5
179.08522	8.9
180.09309	6.2
181.10133	8.6
182.10822	5.0
183.11659	12.0
184.12424	4.5
185.13216	20.0
187.11258	3.2
187.14813	29.5
189.12807	4.5
192.09361	2.4
193.10133	10.0
194.10875	6.7
195.11676	18.0
196.12373	5.0
197.13232	27.3
199.11186	3.6
199.14839	29.0
206.10890	5.5
207.11740	9.9
208.12445	4.3
209.13210	14.5
211.14786	14.6
212.15559	14.7
213.12723	6.2
213.16382	4.0
219.11716	4.6
221.13240	10.4
223.14822	9.4
233.13313	4.0
234.13943	2.6
235.14813	13.4
236.15442	4.7
237.16344	8.0
239.14369	2.4
247.14938	6.2
249.16249	4.1
251.17993	5.2
252.18726	5.4
255.17450	4.1
261.22116	4.4
265.19412	6.6
277.19431	10.4
292.21863	5.3
321.21240	2.6
335.22186	13.9
335.25708	47.5
336.17975	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	2.6
55.01871	1.3
55.05510	16.2
56.05807	1.0
57.03437	18.2
57.07069	2.7
65.03942	2.5
67.05505	72.6
68.05840	1.0
69.03426	1.1
69.07075	17.0
71.04988	1.5
71.08638	1.2
79.05494	33.5
80.05818	0.9
81.07058	64.8
82.07365	1.4
83.04967	1.3
83.08610	6.5
83.30058	0.9
85.06570	1.1
90.59472	0.8
91.05478	17.6
93.07045	41.8
94.07375	0.9
95.04979	4.4
95.08606	51.9
96.08918	1.7
97.06516	2.3
97.10173	4.3
105.04500	1.4
105.07021	12.5
107.08591	19.2
107.09258	1.6
107.49408	1.0
109.06525	1.3
109.10151	23.1
111.08084	2.1
117.07030	3.4
119.08580	8.8
119.52572	0.9
121.10144	17.3
123.08070	1.5
123.11710	7.0
131.08580	6.7
133.10147	9.6
135.11674	10.4
137.09590	2.0
137.13243	1.9
145.10141	5.1
147.11685	5.7
149.13264	6.5
159.11682	4.4
161.13289	4.8
163.14822	2.9
164.71236	1.0
165.12733	1.5
173.13203	5.3
175.14865	1.6
176.56909	0.9
187.14728	1.5
216.81068	0.9
243.21095	3.6
261.22070	4.9
279.22940	1.1
317.24728	1.9
324.39828	0.9
335.25800	100.0
336.18106	5.2
336.22116	0.8
336.26187	7.4
337.36569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	2.1
55.01867	1.4
55.05516	20.1
57.03180	1.2
57.03439	19.4
57.07069	1.8
65.03927	3.4
67.05505	75.7
69.03419	2.0
69.07068	16.8
73.02891	0.8
77.03953	0.9
79.05494	39.5
80.05800	1.0
81.07059	59.7
82.07390	1.5
83.04977	1.8
83.08617	7.2
85.06546	1.1
91.04939	1.5
91.05475	19.1
92.89491	1.1
93.06454	1.7
93.07046	41.9
95.04959	6.0
95.08607	49.9
97.06534	2.6
97.10160	2.9
98.98450	1.6
99.08035	1.3
105.04500	2.0
105.07035	13.3
107.07919	1.6
107.08600	19.9
109.06532	2.0
109.10163	18.7
111.08096	1.6
116.51555	0.9
117.07006	4.4
119.08595	8.7
121.10140	17.3
123.08019	2.1
123.11708	6.0
129.05522	0.9
131.08572	8.1
133.10121	5.4
135.11707	9.0
137.13263	1.9
145.10118	4.9
147.11684	5.0
149.09612	1.7
149.13225	6.1
159.11708	3.2
161.13261	3.2
163.14891	2.3
173.13257	3.6
175.14806	1.0
177.12617	0.9
177.16391	1.4
187.14851	2.4
203.32022	0.8
243.21130	4.1
261.22070	5.0
308.09259	1.0
310.61356	0.8
317.24817	2.1
335.22037	7.0
335.25772	100.0
336.08704	1.7
336.18073	5.2
336.22189	1.2
336.26166	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	2.4
55.05262	1.3
55.05512	19.1
57.03439	18.9
57.07066	1.7
65.03938	3.1
67.05505	72.0
68.05820	1.1
69.06715	1.2
69.07069	15.8
69.72594	3.0
69.72918	0.8
71.04984	2.5
71.08622	1.2
77.03928	1.1
79.05492	35.3
80.05830	1.5
81.07056	69.5
82.07375	1.2
83.04966	2.5
83.08617	7.9
85.06533	1.9
91.05479	17.6
93.07044	42.1
94.07392	1.7
95.04955	3.4
95.08604	49.8
95.28053	0.8
96.08971	1.7
97.06524	2.6
97.10150	2.4
98.23388	1.5
105.04520	1.4
105.07031	10.0
107.07924	1.4
107.08598	19.5
108.08996	0.8
109.06504	2.5
109.10159	22.7
111.08097	1.5
117.07018	3.5
119.08580	9.1
119.40456	0.8
121.10145	14.6
123.08129	1.8
123.11710	6.6
131.08565	7.2
133.10117	7.5
135.11697	11.0
137.13252	1.8
145.10115	4.1
147.11653	5.3
149.13266	6.5
151.14867	0.9
159.11713	4.0
161.13232	4.3
163.14850	2.6
173.13242	3.1
175.14851	2.0
187.14745	1.5
201.16330	0.9
223.21988	0.7
243.21051	3.7
261.22116	6.0
286.53854	0.8
317.24771	2.4
335.25781	100.0
336.26083	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	336.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26402	0.6
53.30270	0.6
53.41475	0.7
56.96565	77.2
66.79299	0.6
67.98182	0.9
69.03419	1.1
69.89718	1.5
71.04983	1.0
72.08124	1.3
72.96011	0.7
74.97620	0.7
76.10154	0.8
76.35265	0.6
79.05489	0.6
83.97603	1.3
84.08147	5.2
88.07626	0.9
93.06999	0.8
98.97575	0.8
102.95801	0.7
111.08096	1.0
122.09673	1.3
124.99107	8.5
136.11201	1.0
138.09073	1.1
139.07547	1.2
143.00162	19.9
144.96805	0.8
157.08507	0.7
161.01231	14.4
162.12761	0.9
165.02252	2.4
167.03828	0.8
170.99628	9.6
176.03847	12.4
178.05391	27.7
179.02194	2.0
179.05699	0.8
181.01698	0.9
183.03322	6.6
189.00703	49.9
190.01068	1.1
192.03392	1.3
193.42650	0.6
194.04927	2.4
196.06465	12.6
201.04288	3.5
203.03122	1.2
204.03284	10.6
207.01761	47.7
208.02794	3.7
210.04390	0.9
222.04375	100.0
223.04738	2.6
223.90727	0.8
225.02815	2.1
226.03951	1.1
240.05429	77.5
241.05760	2.4
245.06035	2.6
263.07120	1.0
270.91055	0.8
292.08621	0.7
308.18436	0.9
318.06476	17.5
318.16934	2.3
336.07535	45.7
336.18027	32.8
337.07849	3.8
337.18063	0.7
354.08621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1807
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
55.01863	1.0
55.05509	0.5
55.17236	0.5
67.05495	0.9
68.05015	0.5
69.03439	2.0
69.07074	0.5
69.85990	1.3
70.06577	0.9
71.04983	0.7
79.05486	1.5
80.05014	3.0
81.07049	1.3
82.06582	0.9
84.08147	6.2
91.05480	0.9
93.07063	1.3
94.06580	2.0
95.04978	1.3
95.08624	2.4
96.08143	1.2
97.02915	0.5
97.06505	0.9
99.04424	0.5
101.67620	0.4
103.03854	0.4
105.03407	0.8
105.07018	2.9
106.06579	0.6
107.08607	0.9
108.08121	1.2
109.06519	0.8
109.10161	0.6
110.09670	0.7
111.08102	0.7
112.07600	0.5
119.08573	0.4
119.78653	0.4
120.08107	0.9
121.10165	0.9
122.09667	5.2
123.08092	1.4
124.11224	2.3
125.06017	0.7
125.09647	0.7
132.08133	1.1
133.06499	3.1
134.09644	1.9
136.11241	1.3
138.12831	0.5
144.08054	0.9
145.10199	0.4
146.06056	0.5
146.09666	2.0
148.11269	0.6
150.09138	4.4
151.07552	0.9
152.10701	4.1
154.12260	1.1
158.09697	1.5
160.07579	0.8
160.11194	0.9
161.09608	0.6
164.10611	0.6
168.10173	4.0
170.09668	0.5
173.12067	0.6
174.09175	1.1
174.12839	1.1
176.10707	1.3
180.10175	0.9
182.11768	42.5
183.06482	0.7
183.12114	1.6
184.11206	0.7
188.10718	1.3
190.12198	0.5
198.12810	1.0
200.10715	0.8
202.08621	1.0
202.12291	0.9
206.11710	0.9
212.10667	1.1
213.11577	0.6
216.10262	1.2
216.13937	0.6
218.11713	2.2
220.09705	0.8
220.13332	1.8
224.12762	0.8
226.12253	1.7
230.11752	1.6
232.13274	0.4
236.12787	0.5
244.09674	0.6
244.13400	3.1
246.11407	0.6
254.15486	1.1
258.14822	0.7
262.14420	3.5
272.12891	1.7
272.16461	6.6
274.14316	1.1
290.13889	2.6
290.17520	1.5
292.15533	1.4
300.15884	8.4
318.13348	3.9
318.16904	18.6
319.17352	1.1
336.18057	100.0
336.21439	5.1
337.18402	6.9
337.22177	0.5
337.59570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1808
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
53.61064	0.2
55.01888	0.4
67.05491	1.0
68.05025	0.5
69.03423	0.9
69.05769	0.3
69.58173	1.0
70.06248	0.2
70.06596	3.3
71.04987	0.7
79.05484	0.4
80.05022	0.7
82.06590	1.9
83.01349	0.5
84.08146	10.3
85.06523	0.7
86.06062	0.4
91.05482	1.0
93.07052	1.0
94.06548	0.3
95.04948	0.4
95.08609	1.0
96.08138	1.1
97.08960	0.3
98.06058	1.8
98.23416	0.3
99.04452	0.4
100.07621	1.2
105.07038	1.5
106.06552	0.5
108.08129	2.5
109.08910	0.7
110.09686	1.3
111.08080	2.5
112.07614	0.8
117.07034	0.8
119.08598	0.6
120.08115	0.7
121.02309	0.2
121.06490	1.3
122.09664	2.5
123.04441	0.3
123.08082	0.5
123.10459	1.7
124.11221	0.5
125.05971	0.5
125.09624	0.3
127.03921	0.3
128.06232	0.4
131.08607	0.4
133.06511	0.3
133.10152	0.9
134.09657	1.5
135.08124	0.3
135.10483	1.8
135.11394	0.4
136.07626	0.6
136.11223	6.1
137.05956	0.3
137.08342	0.3
137.09555	0.4
138.09117	0.7
138.12753	0.3
143.08572	0.6
145.10114	0.9
146.09682	0.3
147.08093	0.4
148.11148	0.3
149.05995	0.8
149.09579	0.3
151.07573	0.7
153.05444	1.9
155.07063	0.4
155.08563	0.3
160.11143	0.3
161.06010	0.5
161.09631	1.7
162.12811	0.6
164.10793	0.4
164.14348	1.1
165.05476	0.6
165.09097	0.4
171.08060	0.4
172.11198	0.3
173.09560	1.8
175.11246	0.3
179.10641	0.3
181.08585	1.8
182.11847	0.7
183.06538	1.6
184.11270	0.4
186.12718	0.5
189.09143	1.0
190.09996	0.4
191.10667	0.4
192.13815	0.5
193.12276	0.4
200.10715	0.3
202.12244	0.4
203.10733	0.6
203.12566	0.2
205.12216	0.9
206.11732	0.3
214.15906	0.4
216.13878	0.3
218.11855	0.8
219.10355	0.3
219.12560	0.5
220.13341	8.3
221.11725	0.8
221.13632	0.4
221.50943	0.2
230.11815	0.4
233.11838	0.3
234.14865	0.3
238.14342	0.6
242.15399	1.1
246.11334	0.5
247.09709	0.3
247.12079	0.7
258.14948	0.5
260.16580	0.4
261.13641	1.5
262.11557	0.4
262.14371	5.2
263.14777	0.4
274.18008	0.8
286.14380	0.4
290.14282	0.4
290.17514	7.0
291.17947	0.4
318.17007	37.9
319.17297	3.3
336.18048	100.0
337.18362	8.2
355.52127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1807
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
52.32656	0.4
55.01876	1.2
55.05507	0.9
57.03404	0.4
67.01861	2.1
67.05501	1.8
68.05042	2.3
69.03426	1.8
69.05818	0.8
69.54805	1.7
70.06602	1.3
71.04984	1.6
76.25483	0.4
79.05479	1.6
80.05019	2.2
81.03419	0.6
81.07050	1.7
84.08151	1.5
85.02924	0.9
85.06557	0.9
93.07048	1.4
94.06567	1.4
95.04971	2.2
95.08595	3.3
96.08124	0.6
97.08895	0.7
98.22744	0.9
105.07038	1.9
106.06564	0.6
109.06535	0.7
110.09711	1.4
111.08082	6.1
112.08421	0.5
120.08109	4.3
122.06041	1.1
122.09702	3.1
123.04418	1.2
123.08070	18.1
124.08437	0.5
125.05997	0.5
127.03942	0.6
133.06525	0.8
134.09633	0.9
135.10446	0.8
136.11179	0.6
137.06033	0.8
138.09145	1.2
139.07567	1.4
148.07565	8.6
148.11240	1.0
150.05365	0.5
150.09113	3.9
151.07529	2.6
152.10773	0.7
155.06973	0.7
157.08646	0.7
160.07642	1.2
162.12764	1.3
165.05489	1.3
166.08633	25.3
167.09094	0.8
168.10233	2.1
174.09100	0.6
174.12816	0.7
174.78471	0.5
178.79419	0.5
180.10083	0.5
180.13776	1.1
182.11789	1.3
183.06551	4.7
202.12296	1.4
208.13405	0.7
218.11859	1.0
220.13382	1.6
238.14406	7.6
239.14680	0.6
262.14618	1.1
272.16483	0.7
273.88574	0.5
290.17499	3.5
300.16089	0.9
306.17563	0.6
318.16995	58.9
319.17410	4.2
336.18051	100.0
337.18277	8.0
337.21793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60220	0.3
55.01886	0.4
55.05513	0.3
67.05499	0.9
69.03426	0.9
70.06581	0.9
70.32632	0.5
70.32960	0.4
76.06580	0.2
78.43295	0.2
79.05460	0.4
81.07077	0.3
82.06585	0.3
83.04977	1.2
83.07372	0.8
84.08144	1.1
89.03942	0.3
91.48091	0.2
92.26431	0.2
94.06567	0.3
95.04977	0.7
95.08619	1.9
96.08144	0.3
98.23439	0.3
106.15466	0.3
107.04965	0.2
108.08157	0.3
111.04446	0.3
112.07562	0.4
117.03378	0.8
122.09687	0.7
123.04438	0.9
123.08048	0.8
124.11222	0.5
125.05975	0.4
125.09641	0.8
135.04407	1.1
136.06212	0.5
137.38924	0.3
138.09137	0.5
145.02870	0.7
150.09151	0.6
151.07558	0.8
152.10712	1.0
163.03915	6.3
166.08649	0.6
168.10225	0.5
180.10216	1.6
182.11734	1.6
220.13353	1.0
234.14847	0.3
262.14563	0.4
276.12360	0.6
280.15424	0.3
290.17621	1.2
318.13199	0.6
318.16998	24.4
319.17337	2.1
336.18045	100.0
337.09283	3.0
337.18390	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	336.1807
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
55.01877	0.9
55.05518	0.7
61.73659	0.4
67.05497	0.9
69.03427	3.7
70.06596	2.0
70.59132	0.7
71.04996	1.5
72.08158	4.6
79.05495	1.1
80.05038	0.6
81.07058	0.8
82.06606	0.4
83.04978	0.4
84.08144	3.7
90.38719	0.3
91.05485	1.1
93.07048	0.7
94.06556	0.7
95.08599	0.9
96.08134	1.0
97.06525	0.4
99.04454	0.8
100.07602	0.4
105.07037	0.9
106.06578	0.6
107.08624	1.1
110.06079	0.5
110.09668	0.6
117.07000	0.5
120.08106	1.1
121.06503	1.4
122.09653	3.2
123.10471	3.2
125.06013	1.1
125.09614	1.8
132.08076	1.1
134.09659	1.3
135.08032	2.2
135.10492	0.5
136.11212	1.6
137.11938	0.4
138.12741	0.5
145.10103	0.4
146.09625	1.1
148.07553	0.6
148.11208	0.9
150.09125	2.5
150.12721	0.5
151.07689	0.4
152.10663	0.9
153.09097	0.4
158.09608	0.5
160.11203	1.2
162.09187	0.7
163.09923	0.5
164.14366	0.6
166.08595	0.6
168.10146	0.7
174.09187	0.9
174.12811	0.6
176.10681	1.1
188.10614	0.7
189.11446	0.6
190.12267	0.5
202.12257	0.9
206.11795	0.6
207.44984	0.4
208.13400	0.5
210.14926	1.1
216.13864	1.3
218.65770	0.3
220.13307	1.2
221.13998	0.4
222.11287	1.3
222.14897	0.9
226.12361	0.7
230.11810	0.9
232.13264	0.5
234.11258	0.8
234.14853	1.9
236.12819	0.5
238.14294	0.9
244.13416	2.0
248.12817	2.8
254.15509	0.5
262.14386	23.6
263.14740	1.1
266.13852	1.1
270.91556	0.4
272.16443	1.6
275.12628	0.4
276.16162	0.5
277.08618	0.5
290.17471	11.7
291.17996	0.9
300.15900	1.0
308.18497	3.1
318.17029	6.3
319.17331	0.5
320.18579	0.9
336.18042	100.0
337.10587	0.4
337.18311	6.6
337.21802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05499	0.4
56.49522	0.2
67.01840	0.3
67.05499	0.8
69.03441	0.9
69.45181	0.6
69.45568	0.5
70.06586	0.7
71.04989	0.6
79.05506	0.5
80.05009	0.7
81.07039	1.2
83.04987	0.7
83.07367	0.3
84.08145	0.8
85.02937	0.7
89.56001	0.3
93.07035	0.4
94.06562	0.7
95.04943	0.2
95.08613	2.3
96.08151	0.4
97.06519	0.9
102.81420	0.3
105.07028	0.6
107.08537	0.3
108.08089	0.5
110.09690	1.0
111.08121	0.3
117.74783	0.3
120.08080	0.8
122.09655	2.4
123.04449	0.5
123.08061	3.3
124.07522	0.3
124.11254	0.7
125.05975	0.8
125.09598	0.5
132.08064	0.4
132.65424	0.3
133.06511	0.3
134.09654	2.6
135.10442	3.6
136.11201	1.2
138.09157	1.0
138.12708	0.3
140.10760	0.4
141.09122	0.7
146.09679	0.5
148.11189	0.6
150.09163	1.6
151.07545	0.9
152.10669	0.4
158.09604	0.7
160.11223	0.8
162.12794	1.1
163.13445	0.2
164.10754	0.4
166.08595	0.3
168.10251	0.9
173.11987	0.3
176.10716	0.3
178.12303	0.3
180.10188	0.8
182.11726	1.8
186.12769	0.3
208.13339	0.4
216.13702	0.4
220.13322	0.3
222.14970	0.4
232.13322	1.1
234.14865	8.9
238.14386	1.1
244.13326	0.4
248.12831	0.4
250.14325	0.5
262.14337	1.9
266.10309	0.3
272.16428	0.7
280.15286	0.3
290.14322	0.3
290.17471	1.3
292.19186	0.3
300.16275	0.3
306.17188	0.4
308.18674	0.6
318.16992	22.2
319.17270	1.5
336.18039	100.0
337.18396	8.6
337.22443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1805
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
54.78209	0.3
55.05505	0.4
56.05040	0.3
59.04999	0.3
67.05499	1.0
68.05027	0.3
69.03427	1.4
69.19075	1.1
69.19470	0.5
70.06591	4.6
71.04987	0.6
79.05477	0.7
80.05012	0.6
81.07052	0.4
82.06589	1.8
83.01355	0.4
83.07351	0.4
84.08141	12.8
85.02827	0.3
85.06538	0.6
85.08485	0.3
86.09702	0.8
91.05498	0.7
93.07047	0.9
95.08610	0.9
96.08138	1.0
96.22533	0.3
97.48885	0.3
98.06055	1.5
98.22615	0.5
99.04434	0.4
100.07655	2.1
105.07017	1.3
106.06562	0.7
107.07343	0.4
108.08101	2.1
109.08913	0.6
110.09668	0.9
111.08107	1.5
112.07603	0.7
117.07022	0.7
119.08588	0.6
120.08112	1.3
121.06519	1.1
122.09692	1.6
123.08121	0.3
123.10458	1.3
124.11215	0.5
125.09610	0.3
127.03904	0.6
129.07011	0.4
130.07745	0.4
132.08096	0.5
133.10049	0.6
134.09642	2.3
135.10449	1.3
136.11208	5.2
138.09134	0.8
138.12793	0.4
145.10133	0.9
147.08028	0.4
149.05966	0.6
149.09688	0.6
150.09163	0.5
151.03897	0.4
151.07591	0.5
152.10687	0.7
153.05499	1.4
153.09193	0.4
153.11345	0.4
154.12259	1.0
155.06972	0.5
158.07240	0.4
160.07561	0.4
161.05968	0.4
161.09595	1.1
162.12793	0.4
164.14380	1.0
165.05479	0.6
165.09219	0.4
173.09628	1.2
175.11206	0.5
181.08604	1.0
183.06494	2.2
186.63953	0.3
189.09126	0.7
190.09924	0.4
192.13620	0.4
202.12186	0.3
203.10670	0.4
204.06369	0.4
205.12228	0.7
214.12456	0.3
214.15886	0.6
218.11797	0.5
219.10251	0.6
219.12457	0.6
220.09937	0.3
220.13319	5.9
221.11717	0.9
230.11702	0.6
234.14964	0.4
238.12282	0.3
238.14346	1.7
242.15414	1.3
244.13275	0.5
261.13617	1.2
262.14328	3.5
263.14737	0.4
274.17960	0.6
286.14276	0.4
290.17493	5.4
300.15961	0.4
306.13788	0.4
318.16980	27.4
319.17374	2.2
336.18033	100.0
336.21201	4.2
337.18338	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	336.1806
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
55.01885	0.5
55.05511	0.8
55.57565	0.4
60.04511	0.8
67.05498	1.4
68.05038	0.8
69.03429	6.0
69.07067	0.4
70.06592	1.8
71.04994	1.9
72.08160	2.6
73.20692	0.4
79.05482	1.6
80.05009	1.0
81.07050	1.3
82.06570	0.7
84.08135	4.3
91.05472	1.4
93.07049	1.0
94.06554	0.7
95.04964	1.0
95.08598	1.9
96.08109	1.0
99.04437	0.6
100.07593	0.3
102.05521	1.1
102.59142	0.4
105.07019	1.6
107.08599	1.3
108.08108	0.9
109.06514	0.5
109.10181	0.4
110.09675	0.5
117.07012	1.0
119.08585	1.1
120.06520	0.4
120.08094	0.7
121.06535	0.5
121.10162	0.5
122.09661	1.8
124.07558	0.6
124.11234	0.6
125.06013	0.6
125.09639	1.4
131.08548	0.8
132.08141	0.6
133.10141	0.8
134.09637	1.7
135.08070	1.9
135.91537	0.3
136.11267	1.0
138.09134	0.7
138.12773	1.1
139.43456	0.4
143.08546	0.4
146.09612	0.9
148.07571	0.9
148.11205	0.9
150.09149	1.7
151.07579	0.6
152.10701	1.4
156.08054	0.4
157.10156	0.5
158.09662	0.7
160.07593	0.4
160.11218	0.9
162.09097	0.7
162.12845	0.5
164.07030	0.4
164.10669	0.4
164.14369	0.5
166.08618	0.7
170.09598	0.5
174.09161	0.6
174.12738	0.9
176.10721	1.1
178.12154	0.6
180.21663	0.5
184.11220	1.2
188.10725	1.7
190.12312	0.5
192.10191	0.5
196.09592	0.4
202.12245	3.1
204.13867	0.7
206.11682	0.4
210.14906	0.8
212.14369	1.2
214.12299	0.5
216.10249	0.5
216.13980	0.8
220.13318	1.1
222.11235	0.9
222.14926	1.1
230.11783	0.7
230.15410	1.7
232.13306	0.4
234.14807	1.0
240.13815	0.9
244.13309	0.9
244.17073	0.6
248.12871	0.9
256.13345	0.6
258.12405	0.5
258.14896	3.4
262.14392	2.9
262.18002	0.6
266.13898	1.1
272.16458	2.0
276.15948	42.5
277.16306	2.8
280.15448	0.4
287.75708	0.4
290.17499	31.1
291.17874	2.4
292.09119	0.4
300.25406	1.4
304.15430	18.7
305.15811	0.9
308.18622	0.7
318.13507	0.7
318.16992	6.3
318.26389	1.5
319.17471	1.0
320.18442	0.4
336.18045	100.0
337.10504	0.6
337.18280	6.9
337.21750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1806
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
55.01873	0.3
55.05522	0.3
63.51578	0.2
67.05493	0.5
69.03426	1.3
69.37148	1.1
70.06577	0.9
71.04996	2.0
81.07052	0.3
83.04970	0.6
83.07349	0.8
84.08151	1.5
88.07626	0.3
93.07046	0.3
95.08586	1.2
96.08127	0.4
97.08901	0.5
101.46658	0.2
105.07052	0.4
106.42975	0.3
107.07349	0.6
108.08080	0.5
110.09690	2.1
111.08080	2.1
120.08118	0.7
122.09641	0.6
123.04424	1.0
123.08084	0.7
123.10406	0.3
124.11244	0.6
125.09632	0.8
129.05484	0.7
133.06535	0.3
134.09641	2.3
135.10437	2.4
136.11209	0.7
138.09135	3.6
138.12776	1.3
139.07594	0.3
148.11203	2.1
150.09128	0.3
151.07500	0.6
152.10698	0.6
152.14267	0.2
155.07021	0.3
162.12791	4.9
163.13560	2.1
164.14288	0.5
165.07863	0.3
166.08624	0.8
166.12303	0.6
168.10188	0.4
176.10580	0.3
180.10193	1.0
180.13817	2.9
182.11787	1.2
183.06529	0.5
190.12253	0.5
191.13031	1.0
208.09734	0.2
208.13310	3.4
220.13335	0.8
238.14352	1.0
239.14436	0.3
262.14447	0.3
266.13928	0.8
276.12234	0.3
290.17538	0.9
318.16989	21.7
319.17340	1.4
336.18036	100.0
337.14514	0.5
337.18396	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	336.1806
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
54.13299	0.2
55.04238	0.3
55.05487	0.3
63.48523	0.3
63.94318	0.3
63.95282	0.3
66.85997	0.3
67.05474	0.9
68.04994	0.4
69.05783	0.7
69.46495	0.8
70.06593	2.5
71.04980	0.4
76.61450	0.3
80.04978	0.4
81.05756	0.4
82.06584	2.9
83.01311	0.9
83.07359	6.7
84.08140	25.8
85.08440	0.5
86.06023	0.3
93.07034	0.6
94.06547	0.5
95.07327	0.5
95.08599	2.7
96.08130	5.5
97.08417	0.3
97.08908	2.7
98.23447	0.3
98.26509	0.3
108.08125	1.7
109.08851	1.0
110.09090	0.3
110.09686	3.3
111.10438	1.3
119.08511	0.4
120.08072	1.2
121.08836	0.5
122.09660	12.2
123.10387	1.8
124.11224	0.7
125.11965	0.3
130.31387	0.3
134.09634	1.2
135.10379	0.9
136.11214	14.0
136.86197	0.3
137.12010	3.3
138.12790	0.6
141.68018	0.3
143.76788	0.3
148.11176	0.9
150.12744	1.3
152.10719	0.5
154.12343	0.3
160.11133	0.4
162.12749	1.1
163.13541	1.2
164.14352	17.6
165.14977	1.2
176.14389	0.4
183.69823	0.3
192.12312	0.3
192.13783	1.5
202.12161	0.3
206.11769	0.4
207.09973	0.3
220.13353	0.7
232.16986	0.5
233.08118	0.5
247.09743	0.4
248.16420	1.9
250.14345	0.6
260.16544	0.8
263.15237	0.4
276.15939	58.4
277.16287	4.5
304.15430	5.1
305.15878	0.8
318.16974	2.7
319.17764	29.4
320.18100	2.2
336.18039	100.0
336.21262	4.1
337.18335	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	336.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75379	0.2
55.01873	0.6
55.05508	0.7
57.07080	0.2
58.06606	0.3
62.06120	0.3
65.04828	0.3
67.05497	1.4
68.05022	0.6
68.32635	0.3
69.03443	1.9
70.06587	1.4
70.53119	0.4
71.04986	1.0
72.08158	1.4
79.05495	0.7
79.26812	0.2
80.05020	0.6
81.07049	1.4
82.06582	0.5
83.04967	0.3
83.07374	0.4
84.08147	2.3
88.07607	0.3
91.05479	0.8
93.07050	0.7
94.06563	0.7
95.04945	0.4
95.07358	0.3
95.08606	2.0
96.08122	0.5
97.02899	0.5
97.06556	0.3
98.06052	0.4
98.09663	0.3
99.04436	1.3
105.07056	0.7
106.06573	0.3
107.08623	0.5
108.08120	1.3
109.06502	1.1
109.10106	0.4
110.09692	0.7
111.04379	0.3
112.07623	0.5
113.08350	0.3
117.07001	0.6
120.08105	1.6
121.06507	0.4
122.09673	1.4
123.04426	1.0
123.08067	0.5
124.07609	0.5
124.11279	0.6
125.05943	0.5
125.09628	1.5
126.09162	1.5
132.10229	0.4
133.06558	0.3
134.09668	0.9
135.08060	0.9
136.07576	0.4
136.11183	0.8
138.09134	1.7
140.10742	0.4
146.09706	0.7
147.10403	0.3
148.11214	0.8
150.09158	0.8
151.07512	0.5
152.10710	0.9
153.09131	0.6
154.12263	0.3
160.07539	0.4
160.11195	0.5
162.09135	0.7
164.10683	0.6
166.08684	1.2
168.10135	0.5
174.12776	0.9
176.10823	0.4
176.14362	0.8
182.11711	1.6
188.10735	0.4
190.12303	0.5
192.13860	1.1
196.13316	0.7
198.11128	0.4
202.12271	1.0
203.12802	0.3
204.13654	0.3
206.11719	0.4
208.13306	2.5
210.14911	0.5
216.13712	0.6
218.11746	0.6
220.13327	3.9
222.14864	0.4
234.14827	0.4
236.12845	3.6
238.14378	4.2
244.16803	0.4
249.13741	0.3
254.15100	0.3
262.14386	8.7
263.14676	0.4
264.15765	0.5
266.13885	0.3
266.17438	0.4
272.16483	2.0
280.15433	1.3
290.17487	9.8
291.17950	0.9
292.15442	1.9
294.16956	2.1
300.16052	0.4
308.18439	1.4
318.16992	6.9
319.17429	0.6
320.18573	0.8
335.29846	0.7
336.18042	100.0
336.30075	1.5
337.10495	0.3
337.18304	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	336.2171
Annotation	Dendrine
Peak:m/z	Relative Intensity
55.01860	0.5
55.05499	0.9
56.05033	0.5
57.03190	0.4
57.03443	5.5
57.07059	0.5
58.06581	0.4
58.99554	0.3
60.04522	0.5
66.84456	0.3
67.05505	1.5
68.05030	0.9
69.03437	0.6
69.07058	0.6
70.06577	1.0
71.04978	0.4
72.20538	0.3
79.05493	1.4
80.05011	1.4
81.05793	1.0
81.07063	4.0
82.06594	0.6
83.04991	0.5
84.08150	2.9
91.05477	1.1
93.07056	2.0
94.06585	0.6
95.04966	0.8
95.08611	2.5
96.08125	0.9
97.06485	0.5
97.08900	1.0
99.08074	0.4
105.07032	0.9
106.06534	0.7
107.08573	1.5
108.08123	0.8
109.06533	0.8
109.10158	1.1
110.09707	0.7
111.08084	0.4
117.07008	0.4
119.08571	0.9
120.08101	1.4
120.08866	0.3
121.06519	0.4
121.10138	1.0
122.09710	1.9
122.10466	0.4
123.08077	0.9
123.10484	0.3
124.11224	4.9
126.01093	0.4
126.12807	0.3
128.07082	0.8
131.08571	0.8
132.08101	0.4
132.84424	0.3
133.06514	0.4
133.10115	0.5
134.09663	2.3
135.08046	0.8
135.11687	0.5
136.07549	0.4
136.11215	5.6
137.09647	0.9
137.12004	1.4
138.12782	2.3
139.07567	0.5
139.11266	0.5
140.10675	0.4
142.12282	1.3
146.09592	0.3
147.08076	0.6
148.07535	0.4
148.11195	0.5
149.09633	1.3
150.09151	0.4
150.12761	1.7
151.13571	0.7
152.10751	0.4
154.12236	0.7
157.12224	0.5
161.09717	0.4
161.13213	0.3
162.12755	0.7
163.11227	0.6
164.10742	0.3
164.14357	0.5
168.10202	0.5
174.12682	0.3
178.12308	0.6
178.15910	0.9
179.16669	0.3
180.10245	0.9
180.17561	0.3
182.11871	0.4
186.11241	0.7
190.15953	0.4
192.13914	0.3
193.12273	0.9
196.13304	1.2
202.15894	1.0
204.17386	0.4
205.12193	0.7
210.40080	0.3
218.19064	0.7
223.16943	0.4
224.12775	0.4
233.15457	0.5
234.14883	0.4
244.16920	0.4
250.81488	0.3
258.18530	0.7
262.17938	0.5
272.16394	0.4
274.21555	0.5
276.19589	47.1
277.19971	3.3
280.19116	0.8
300.19717	0.5
318.16925	0.8
318.20682	0.8
336.18253	5.3
336.21683	100.0
337.18097	0.6
337.21979	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	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63482	0.6
54.78735	0.6
54.83628	0.7
56.96574	4.5
60.40169	0.8
70.98095	0.9
85.02927	1.4
95.57597	0.7
98.97590	9.5
101.00858	0.9
103.00636	1.5
110.97562	2.4
116.98615	2.6
119.01920	0.8
121.01644	1.5
122.24659	0.7
123.72018	0.8
128.98608	2.3
130.93265	1.2
133.01645	1.5
145.03510	0.9
146.99640	1.7
151.02744	0.9
152.98575	1.0
158.99681	2.8
161.01176	0.7
172.94292	2.0
173.01247	0.9
177.00713	1.0
184.97621	0.8
188.97052	1.4
190.95392	1.9
195.01263	1.5
197.02815	0.9
203.02576	1.3
217.02058	0.8
217.03868	2.9
219.01936	2.8
223.00688	1.7
224.97498	1.1
229.03830	1.9
230.98227	1.2
231.02078	1.9
235.04837	5.2
236.16605	0.8
237.02806	1.8
241.01642	3.0
242.98570	3.3
247.05101	1.6
260.99515	2.3
263.00781	1.6
273.02859	1.6
277.05798	1.0
281.01514	0.9
287.04877	0.8
291.03622	1.3
295.07016	4.4
309.04303	1.9
315.04089	1.2
327.04370	0.8
332.98132	2.8
337.08926	100.0
338.09250	3.6
338.19592	4.2
355.03860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
58.88375	1.6
65.31864	2.0
69.59621	4.1
89.29953	1.7
97.13300	1.8
98.97523	3.0
101.00798	1.7
115.33891	2.0
141.07301	1.6
145.03381	3.0
155.01846	2.8
174.99120	2.1
180.23524	1.9
190.93349	2.1
193.00142	2.5
217.01920	2.8
337.08698	100.0
338.09259	3.9
338.19452	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	337.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03944	2.4
55.01873	14.2
55.05500	4.2
57.03452	0.8
61.54178	0.7
64.21570	0.8
65.03945	1.6
67.05494	6.2
69.03430	5.6
69.07063	5.7
69.26326	1.6
69.26714	2.2
71.04984	3.6
72.08144	4.7
77.03928	2.0
79.05492	24.5
80.43591	0.8
81.03441	1.4
81.07045	3.4
83.04968	5.7
84.08153	0.9
85.02932	1.1
91.05480	17.2
93.07046	22.6
95.04965	13.2
95.08601	4.1
97.06532	11.3
99.04442	4.2
103.05472	5.3
105.04499	2.2
105.07027	75.4
106.07359	2.1
107.04955	18.3
107.08591	1.9
109.06515	3.1
115.05429	5.3
116.06226	1.3
117.07014	14.5
119.04926	2.0
119.08569	6.5
121.02876	1.9
121.06505	70.7
122.06856	2.2
125.05984	6.5
128.06200	5.2
129.07007	9.2
130.07793	9.2
131.04916	2.8
131.08566	19.2
133.06483	27.3
133.10127	2.7
134.06750	0.8
135.04436	2.9
137.05960	1.5
139.07541	1.1
141.06992	7.7
142.07823	1.3
143.07039	2.5
143.08559	7.4
144.05708	2.9
144.09357	6.2
145.06483	20.7
145.10124	64.1
146.07193	1.6
146.10443	3.3
147.08025	2.1
149.06061	0.9
151.07524	2.0
153.06953	3.9
154.07780	9.0
155.06064	1.1
155.08551	12.0
157.06516	3.8
157.10161	1.9
158.07265	34.9
159.04373	1.1
159.08061	19.1
159.11693	23.8
161.09592	2.6
167.08546	1.3
169.07771	0.9
169.10124	14.1
171.08073	4.2
171.11649	1.2
172.08835	11.8
173.09613	100.0
174.09993	6.0
178.07866	1.1
179.08594	9.0
181.06485	2.6
182.07259	5.0
183.09084	1.0
187.11172	59.1
188.11525	3.0
189.12706	1.2
191.10631	1.7
197.09601	26.9
198.09894	2.0
205.12224	10.2
210.14917	0.8
215.10667	61.9
216.10974	3.8
233.11699	17.8
234.12007	1.8
236.16348	1.6
264.16028	2.7
266.14050	0.9
291.17819	2.7
320.18607	2.9
337.10767	1.0
337.18298	8.9
338.19650	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34298	0.4
55.05520	1.0
57.03437	0.6
60.00395	0.4
67.05504	2.6
68.38664	0.4
69.03442	0.4
69.07061	1.1
69.08784	0.5
69.59088	0.8
69.59480	0.9
70.06599	0.4
71.08642	1.6
72.08159	4.7
79.05492	0.9
81.07063	2.3
82.07426	0.4
83.08633	0.7
84.08157	0.9
91.05468	1.1
93.07043	1.5
94.06575	0.5
95.04950	0.6
95.08579	1.9
96.92215	0.7
97.10139	0.5
98.97546	0.5
99.08089	1.7
107.05013	0.5
107.95028	0.4
109.10147	0.6
110.09720	0.4
114.52840	0.4
119.08575	0.6
121.10189	0.6
134.42383	0.4
135.11621	0.6
136.11191	0.7
148.27348	0.4
151.11118	0.6
162.12823	0.9
165.12634	0.7
173.05415	0.6
236.16537	1.9
253.20808	0.4
263.20102	0.6
264.15945	2.4
266.13925	0.9
298.37775	0.4
301.17505	0.4
314.16293	0.6
320.18503	2.1
337.10587	6.0
337.17505	100.0
337.23257	4.6
338.11182	0.9
338.19357	8.3
338.26761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.5
57.03437	4.3
57.07078	43.8
58.07395	0.9
67.05502	12.5
69.07060	2.2
69.46373	3.8
71.08633	20.4
79.05482	1.0
80.94836	1.1
81.07053	9.7
83.08622	8.2
85.10183	12.5
93.07032	2.0
95.08020	1.5
95.08608	23.0
96.08968	0.9
96.92223	2.3
97.10168	2.4
98.98468	53.9
99.11739	0.9
109.10154	14.6
116.98604	1.0
123.11707	3.7
155.01041	100.0
156.01347	1.2
165.16380	1.3
183.17455	20.9
268.26349	1.0
310.11575	0.9
337.23456	56.4
338.19586	3.6
338.23795	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	337.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06597	1.7
71.07382	0.3
71.46116	0.3
72.08157	100.0
73.08495	1.5
78.79518	0.2
80.02150	0.2
81.07064	0.4
83.07375	0.8
84.08144	8.9
85.02892	0.3
86.09715	0.3
96.08158	0.6
97.02922	0.5
97.08890	0.3
98.97607	0.2
100.07597	0.3
109.06532	0.3
110.07195	0.6
110.09689	1.1
110.97540	0.2
114.10352	0.3
115.66999	0.2
122.09719	0.2
124.11249	1.3
136.11237	0.2
137.05986	2.0
140.07155	0.2
146.41324	0.3
150.05087	0.5
150.09148	2.0
152.06775	0.2
152.10732	0.4
155.06947	0.3
161.15868	0.2
165.05583	0.2
165.29692	0.2
168.06100	0.5
168.10197	1.0
169.11090	0.2
170.07770	0.3
177.00981	2.1
178.00885	0.3
182.99886	0.5
183.06516	0.6
191.03902	0.3
192.10278	0.4
196.05669	1.4
201.00969	1.0
202.12296	0.5
203.02473	2.3
204.02769	0.3
208.13388	0.5
214.06757	0.3
219.02013	8.4
220.02159	1.1
220.13269	0.3
239.46281	0.2
248.12885	0.7
248.16501	0.3
264.16037	0.3
266.13879	20.7
267.14246	1.1
272.06451	0.3
284.08347	1.0
292.07962	0.4
296.08286	0.3
314.09320	3.9
315.09436	0.6
319.15451	0.3
320.18573	20.8
321.18848	1.0
332.10406	6.0
333.10669	0.8
337.17905	1.0
337.21231	22.1
338.07806	0.5
338.19806	1.4
350.11380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90036	0.5
64.17672	0.4
64.48756	0.4
68.70811	0.3
69.17004	0.8
69.17407	2.0
70.66169	0.4
75.12335	0.4
79.15170	0.3
87.84010	0.5
123.85403	0.4
191.32608	0.5
319.22354	1.1
337.23489	100.0
338.23795	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	337.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41751	0.4
55.05498	0.7
67.05507	1.5
69.07058	1.0
69.80750	1.4
70.06608	0.5
72.08156	8.8
72.08529	0.8
79.05499	0.6
81.07063	1.2
83.08617	0.4
84.08158	1.3
85.02931	0.8
86.09708	2.2
93.07058	1.0
95.08612	1.1
96.92231	0.6
98.97594	0.4
100.05804	0.4
105.07038	0.4
107.08595	0.7
109.10155	0.5
122.59712	0.4
123.59989	0.4
135.11729	0.5
136.11227	1.1
144.36125	0.4
146.11865	0.6
150.09125	0.6
151.11166	1.0
159.47047	0.4
162.12756	1.0
163.81816	0.4
168.06686	0.4
186.07617	0.6
210.15001	0.9
236.16451	3.1
264.15970	3.6
266.13904	2.0
278.21167	1.0
284.99771	0.5
314.16318	0.5
320.18472	3.6
337.18903	3.7
337.23502	100.0
338.19629	17.3
338.23770	7.3
338.27237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
57.03436	1.1
57.07078	10.2
67.05510	2.9
69.07050	0.5
70.59499	0.5
71.08640	5.6
73.02846	0.3
76.56534	0.4
80.94862	0.6
81.07066	3.3
83.08615	1.5
85.10184	3.3
93.07071	0.4
95.08614	6.1
96.51918	0.3
96.92224	1.1
97.10159	0.8
97.78446	0.4
98.98470	13.2
109.10168	3.8
110.36485	0.3
115.14304	0.4
123.11694	0.8
136.94174	0.4
155.01042	25.5
156.01375	0.5
165.16406	0.7
168.68423	0.3
183.17448	4.8
184.25641	0.4
314.16269	0.5
337.23483	100.0
338.19550	1.0
338.23651	6.0
344.58542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.97100	0.4
53.03946	0.5
55.01868	0.6
55.05513	24.1
57.03441	15.3
57.07077	4.3
65.03936	1.7
67.05508	49.0
68.05832	0.9
69.07069	29.3
69.79902	1.2
70.07403	0.5
71.04987	1.4
71.08624	1.4
73.06577	0.5
79.05496	12.6
80.05797	0.5
81.07059	49.9
82.07391	0.8
83.04987	1.8
83.08620	13.5
83.38712	0.4
85.06539	1.1
85.10172	0.7
89.84324	0.5
91.05476	7.7
93.07053	12.1
95.04977	1.2
95.08608	38.1
96.08974	0.6
97.06540	2.8
97.10168	8.4
98.23415	0.4
99.08081	1.2
105.04530	0.4
105.07034	5.5
107.08593	7.3
109.06508	0.5
109.10162	15.9
111.08086	1.9
111.11710	2.4
113.09639	0.6
119.08588	4.8
121.10152	6.8
123.08076	1.0
123.11714	6.8
125.09624	0.6
128.18674	0.4
131.08540	0.6
133.10147	4.8
135.11708	3.5
137.09641	1.1
137.13286	2.6
139.11194	1.3
141.12747	0.4
147.11702	4.1
149.13287	2.7
151.11160	0.8
151.14865	1.3
153.12712	0.7
161.13239	3.4
163.14824	2.2
165.12769	0.7
175.14832	2.4
177.16434	0.7
179.14349	0.4
189.16458	1.5
206.24033	0.4
207.17274	0.4
245.22687	1.7
245.75278	0.4
256.91669	0.4
263.23721	4.3
337.27368	100.0
338.19666	1.0
338.27698	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	337.9707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31693	1.0
56.96572	8.3
63.75916	1.2
67.44427	1.2
69.79041	1.1
71.42915	1.9
91.06549	1.2
98.97585	60.8
110.59588	1.2
116.98624	23.2
119.01941	2.5
134.99658	5.9
145.09097	1.1
156.96530	2.1
170.99016	2.2
174.97658	10.4
176.90172	2.4
179.00761	1.7
192.98744	4.6
194.91177	13.4
196.92683	1.3
198.97639	7.0
209.00575	1.5
212.92221	23.0
213.00151	1.4
216.98701	93.3
217.98869	4.2
218.91225	3.5
230.93279	14.7
234.99754	96.4
235.99913	5.7
236.16467	3.6
236.92235	13.7
240.00281	1.4
248.94420	2.9
253.00836	2.4
254.93317	65.6
255.00784	1.7
255.93571	4.1
256.96561	3.9
257.96985	2.3
258.01242	1.5
258.96582	2.0
258.99875	7.9
261.03040	3.8
263.00174	1.4
263.02893	3.2
264.15979	4.9
270.91214	2.2
272.94382	100.0
273.94699	6.3
273.97171	1.5
274.97421	9.3
277.00842	7.0
277.95029	1.8
278.93607	2.4
288.02423	1.6
288.91946	2.5
290.91830	4.6
290.95395	34.3
291.95255	2.2
291.98438	1.9
292.01953	1.4
292.98514	2.7
295.95987	6.6
296.94394	25.1
298.29367	1.4
311.96036	7.9
312.45926	1.9
312.95807	1.5
313.97113	12.2
314.95428	99.4
315.95511	7.4
320.18588	2.6
321.46561	2.9
328.90186	2.9
332.96582	9.4
333.90723	2.2
337.92838	1.6
337.97104	2.5
338.19577	23.1
351.91440	2.0
355.93765	3.0
356.96841	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
56.96567	10.3
57.03424	0.9
58.06601	1.1
62.06092	26.3
62.45721	0.6
63.15359	0.7
67.05531	0.8
69.03429	5.4
69.19067	0.6
70.06585	2.1
71.04996	1.0
72.04481	0.8
72.07801	0.8
72.08161	12.4
73.02905	1.5
74.06071	0.9
81.03424	4.4
84.08156	1.7
85.02908	10.7
86.06060	4.5
87.04457	3.9
97.02876	4.3
97.06554	0.9
98.06023	0.8
98.97581	21.7
99.04437	1.2
103.03914	1.2
104.07101	5.8
109.02872	1.7
110.97571	1.7
112.92257	2.8
115.03929	5.3
116.98627	8.3
122.06003	3.1
122.09741	1.0
124.07560	1.7
124.99125	0.8
127.00648	1.8
127.03920	4.9
128.07059	1.5
128.98578	2.1
130.93301	36.1
134.05923	0.9
134.99631	2.6
136.11179	0.8
141.09155	0.9
142.08582	0.8
143.00099	1.8
145.04935	3.0
148.94359	6.5
150.09151	1.1
152.07076	10.2
154.93221	1.4
155.00226	1.0
157.03561	0.9
158.92786	4.1
158.99669	2.5
159.06566	1.0
161.01187	1.5
166.95490	1.0
170.08105	2.9
172.94357	61.0
173.01218	1.4
176.12665	0.8
176.93794	2.0
177.00900	7.7
177.06592	0.8
178.01065	1.0
180.94969	0.8
180.97783	1.0
181.05434	0.9
182.96463	3.9
188.09239	0.8
189.00644	1.0
189.98074	0.9
190.48183	0.8
190.95398	46.3
191.02341	1.3
191.95580	0.8
196.05762	1.1
197.04921	0.8
198.95819	6.6
200.93779	2.0
200.97517	5.2
201.00938	1.8
203.02451	0.8
205.95956	0.7
206.11873	1.5
206.96416	2.8
208.96469	11.6
211.02985	1.7
216.96948	11.3
218.94910	6.2
219.01988	16.1
220.02083	2.7
223.99120	0.8
224.97469	39.8
225.97742	0.7
227.00729	0.9
229.01901	0.7
229.04053	2.8
232.96370	1.8
234.97998	6.0
236.16399	1.0
236.95979	3.5
237.02806	0.9
240.96913	2.2
242.98544	97.4
243.98859	2.4
245.03551	1.6
246.11095	0.8
247.05164	2.4
256.96484	1.8
258.97974	12.7
260.99606	45.2
261.99792	0.8
262.97461	1.0
264.15903	2.8
266.00119	1.6
266.13873	2.3
270.98193	2.3
272.95905	0.9
273.03070	6.8
274.02972	1.0
274.14731	0.7
274.97501	12.2
276.99091	8.2
279.00641	12.1
279.03925	2.5
281.96356	1.2
286.97577	4.0
287.04694	4.4
288.99039	14.2
291.04108	5.9
292.98611	4.8
293.96353	1.8
293.99380	1.1
296.96027	2.9
297.02570	0.9
299.99887	2.1
301.00497	1.4
302.12326	3.4
302.96924	1.8
302.99872	1.4
304.98557	4.3
307.00082	10.9
308.00507	0.9
313.99780	1.3
314.52786	0.9
314.96979	30.6
314.99762	1.3
315.04153	15.0
315.09610	1.5
315.50754	0.8
315.97281	0.8
320.13281	3.9
320.18613	3.3
322.99985	1.6
324.00290	1.5
332.98059	100.0
333.05038	6.8
333.98489	3.0
335.53949	0.8
337.21466	1.0
338.09521	1.5
338.15314	18.7
338.19675	20.4
350.99155	11.6
355.99692	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	338.1963
Annotation	Nemorensine
Peak:m/z	Relative Intensity
55.01867	0.7
67.05479	0.4
69.03417	0.8
70.68798	0.3
70.69143	0.5
71.04977	0.5
79.05503	0.5
80.05016	0.5
81.07050	0.4
82.06564	0.4
84.08138	1.2
91.05482	0.7
93.07035	0.7
94.06562	0.8
95.08582	0.4
96.08112	0.5
97.06582	0.4
99.04461	0.6
105.34967	0.3
106.06613	0.3
107.08617	0.4
108.08138	1.3
109.08836	0.3
110.09705	0.7
114.19335	0.3
119.08597	0.3
120.08140	0.6
122.09676	0.8
124.07619	0.4
125.06010	0.8
132.08067	0.5
134.09674	1.4
135.08087	0.3
136.11229	0.5
137.11914	0.3
142.08641	0.5
146.09665	0.6
148.07576	0.3
148.11205	1.1
150.09145	1.1
152.10692	2.1
158.09688	0.3
160.11247	0.6
162.09129	0.5
162.12782	0.7
164.10748	0.4
165.11354	0.4
166.12302	0.3
172.11235	0.5
174.12758	0.7
176.10686	0.3
178.12280	2.1
182.11752	2.0
188.10672	0.4
190.12234	1.9
194.11766	0.3
195.39966	0.2
200.07631	0.4
200.14301	0.4
202.12280	0.5
206.11774	0.4
210.14938	1.0
216.13541	0.3
218.11783	1.1
218.15385	0.6
220.13281	2.7
221.13853	0.4
222.14893	1.1
232.13377	0.7
234.14902	0.4
236.12764	0.4
238.14375	0.6
246.14905	3.0
248.16574	0.3
262.14374	0.9
264.15952	26.4
265.16324	1.5
288.52280	0.3
292.15536	0.6
292.18890	0.6
294.17065	3.9
302.17471	0.5
311.78165	0.3
320.18555	5.4
321.19022	0.5
338.19598	100.0
339.19955	7.9
351.30225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1961
Annotation	Nemorensine
Peak:m/z	Relative Intensity
55.01871	0.8
55.05480	0.5
57.03434	0.7
67.05503	0.8
69.03413	0.7
69.07057	0.4
69.63995	1.7
70.06590	2.5
71.04995	0.6
80.05020	1.3
82.06561	0.6
84.08143	11.3
85.02910	4.7
91.05517	0.7
93.07059	0.5
94.06561	1.1
95.08599	1.7
96.08114	0.9
97.08913	1.0
99.38168	0.4
103.03929	1.0
107.08569	0.5
108.08128	1.1
110.09681	1.0
120.08090	1.3
122.09682	4.9
124.11247	1.7
125.05990	1.0
127.03924	0.5
134.09660	1.2
135.10362	0.5
136.11212	5.9
137.12044	2.9
138.12741	0.4
148.11189	1.1
150.09183	1.7
152.10677	0.7
155.88654	0.5
160.06096	0.4
162.12773	5.0
164.14395	0.8
168.10228	0.7
176.10593	1.0
176.14355	0.7
182.11766	0.9
190.15878	0.5
192.13814	0.7
194.11752	0.9
210.12883	0.9
210.14882	16.0
222.14854	0.5
228.13895	0.5
234.14981	0.6
236.16467	17.0
237.16687	0.6
238.14285	0.7
246.14879	0.5
264.15952	13.1
274.18124	0.5
276.19574	0.7
292.19006	0.5
294.20590	0.8
320.18567	13.1
321.18744	0.9
338.19601	100.0
339.19949	5.9
342.80966	0.4
347.73013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1961
Annotation	Nemorensine
Peak:m/z	Relative Intensity
53.55796	0.2
55.05508	0.6
56.05036	0.3
67.05504	1.3
69.03432	0.6
69.05431	0.2
69.05802	0.3
69.07058	0.5
69.45505	1.0
70.06592	3.6
71.04985	2.2
73.06523	0.2
79.05482	0.5
81.07048	0.6
82.06581	0.6
83.07340	0.4
84.08142	20.8
84.78114	0.2
85.02913	1.3
85.06538	0.9
85.08501	0.3
91.05473	0.6
93.07028	0.6
94.06563	0.5
95.04986	0.4
95.07334	0.3
95.08601	2.9
95.52312	0.3
96.08129	1.1
97.06542	0.5
97.08907	1.0
99.04462	0.4
100.07583	0.4
102.28284	0.2
105.07036	0.3
108.08096	1.2
109.06509	0.2
109.08910	0.4
110.09680	0.7
113.05948	0.2
119.04945	0.8
119.08611	0.3
120.08119	0.4
122.09655	5.9
123.08076	0.6
123.10467	0.5
124.11220	1.1
125.05995	0.3
127.03927	1.0
129.05470	0.9
134.09633	0.7
135.10417	0.8
136.11221	4.1
137.12010	3.2
138.12778	0.9
140.10695	0.3
141.05493	0.3
141.09076	0.7
144.68590	0.2
147.04399	2.3
148.11230	0.5
150.09146	1.8
150.12787	0.9
159.10149	0.3
162.12791	1.1
164.14394	2.3
165.15109	0.4
166.15872	0.5
167.06989	0.3
168.10217	3.9
176.10678	0.3
178.12291	0.5
180.13847	0.2
180.71883	0.2
182.11746	0.4
183.06502	0.3
190.12158	0.2
192.13914	1.3
200.14262	0.3
204.13759	0.3
210.14890	25.9
211.15231	1.1
222.14821	0.3
234.14874	0.4
236.16441	3.2
246.14845	0.3
252.15962	1.0
264.15988	5.3
265.16315	0.5
292.19000	0.9
302.38208	0.2
306.16989	0.3
320.18549	13.2
321.18890	0.8
321.22488	0.3
338.19592	100.0
339.19937	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	338.1962
Annotation	Nemorensine
Peak:m/z	Relative Intensity
55.01865	1.4
55.05515	0.8
67.05489	0.7
69.03420	1.6
69.57600	1.4
70.06583	0.6
71.04995	6.5
79.05506	0.4
80.05015	1.8
80.29967	0.4
81.07056	0.4
83.04973	0.8
84.08144	3.2
93.07054	0.6
94.06570	1.7
95.08633	0.5
96.08140	0.5
97.06539	4.6
98.23428	0.5
105.07053	0.6
106.06535	0.4
107.08576	0.6
108.08109	0.5
110.09659	1.0
114.09926	0.4
120.08118	0.9
122.09676	4.2
124.11240	0.8
125.05991	1.0
125.09638	1.3
131.54025	0.4
134.09659	1.6
147.04483	0.7
148.11186	1.9
149.11972	0.5
150.09142	5.1
152.10704	2.5
153.09120	1.0
154.12288	0.8
160.11189	0.8
162.09068	0.9
168.10188	3.3
171.10217	0.5
172.11203	0.5
173.14584	0.4
175.91995	0.4
176.10715	3.7
182.11769	19.7
183.12105	0.8
183.29579	0.4
190.12260	0.9
194.11774	1.4
204.13855	3.0
220.13350	0.7
222.11302	1.2
222.14885	1.0
228.13774	0.5
232.13292	1.2
238.14384	0.9
246.14922	6.3
250.14426	2.5
264.15958	10.9
265.16275	0.6
268.15491	1.6
274.18073	0.6
292.19241	0.4
302.17499	1.1
320.18564	22.8
321.18903	1.2
322.20432	0.4
338.19611	100.0
339.19943	7.0
345.77139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1966
Annotation	Nemorensine
Peak:m/z	Relative Intensity
55.05503	0.4
56.05006	0.2
61.45665	0.2
67.05485	0.4
68.05024	0.6
69.03426	1.3
69.07070	0.2
70.06588	0.3
71.04992	0.6
72.01801	0.2
79.05483	0.3
81.07045	0.7
82.06586	0.4
83.04974	0.3
84.08142	0.5
85.02883	0.3
91.05453	0.3
93.07047	0.3
94.06574	0.4
94.34991	0.2
95.08610	0.3
96.08145	0.2
98.06043	0.3
99.04444	0.4
105.07020	0.4
107.08609	0.4
107.22729	0.2
108.08102	0.6
109.06514	0.3
109.08905	0.2
110.09673	1.4
112.07590	0.3
113.08360	0.4
119.08575	0.4
120.08094	0.7
121.08887	0.3
122.09654	0.9
124.07633	0.3
124.11167	0.2
125.06013	0.3
125.09634	0.5
126.09068	0.3
131.08586	0.4
132.08128	0.2
133.10132	0.3
134.09645	1.0
136.11206	4.7
137.11952	0.3
138.09142	0.7
146.09618	0.4
148.07585	0.5
148.11243	0.8
149.12022	0.8
150.09157	1.0
150.12772	1.4
152.10677	0.5
153.11511	0.2
160.11250	0.5
162.09140	0.6
162.12756	0.8
164.10741	0.3
166.08676	0.4
168.10231	0.2
172.11139	0.2
174.12852	0.3
176.10809	0.3
176.14349	0.4
178.01099	0.2
178.12254	1.6
182.11801	0.8
185.15700	0.2
186.12859	0.4
190.12329	0.4
192.10219	0.3
192.13838	0.2
194.15375	0.5
200.10657	0.2
200.14328	0.4
204.13809	1.4
208.13281	0.2
210.14891	0.7
214.12260	0.3
218.11897	0.2
218.15427	2.9
220.13318	0.8
222.14896	7.8
223.15311	0.6
228.13727	0.3
232.13298	1.1
234.14702	0.2
236.12762	0.4
236.16490	1.4
246.14915	1.3
246.18643	0.3
250.14308	0.3
251.15178	0.8
256.17068	0.2
264.15955	10.3
265.16284	0.4
274.17947	1.8
276.19565	0.2
292.19052	14.1
292.77786	0.2
293.19406	1.1
302.17551	0.3
310.16525	0.4
320.18539	8.5
321.18942	0.6
338.19592	100.0
339.19968	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	338.1963
Annotation	Nemorensine
Peak:m/z	Relative Intensity
55.01867	0.7
55.05510	0.3
61.12769	0.3
65.14203	0.3
67.05499	0.4
69.03422	1.2
69.78054	1.0
70.06604	0.6
71.04982	1.0
73.02911	0.5
79.05490	0.6
80.04994	0.7
81.07037	0.5
82.06550	0.4
84.08104	0.6
85.02901	1.1
85.06541	0.9
87.35245	0.3
91.05469	0.9
93.07023	0.7
94.06590	0.7
95.08539	0.3
96.08097	0.3
97.06510	0.5
99.04435	0.6
105.07011	0.7
108.08045	0.4
110.09692	0.8
111.08097	0.5
113.05980	0.3
119.04928	1.0
119.08620	0.4
120.08084	1.7
122.09643	1.1
124.11217	0.4
125.05962	0.5
125.09538	0.3
134.09628	1.2
136.11217	4.0
138.09175	0.4
141.05435	0.3
142.08707	0.3
146.09607	0.5
147.04391	4.3
148.11212	1.2
149.11989	0.4
150.09178	1.3
152.10709	1.7
153.09096	0.3
160.11220	0.7
162.09132	0.6
162.12779	2.9
163.03937	0.5
164.04234	0.6
164.10739	0.3
168.10181	0.5
172.11119	0.3
176.10684	0.9
176.14359	0.5
178.12312	0.7
180.10197	0.3
180.54591	0.3
182.11761	3.5
190.12280	0.6
194.11711	0.7
200.09184	0.4
204.13905	0.4
214.12321	0.5
216.13914	0.4
218.15356	0.3
220.13429	0.6
222.11203	0.5
222.14812	2.0
228.13858	0.6
232.13362	0.3
234.14914	1.5
236.16449	4.7
238.14343	0.6
246.14932	1.9
248.16449	10.1
249.16962	0.5
256.16953	0.5
258.12781	0.3
264.15942	13.8
265.16379	0.6
274.17990	0.6
274.97668	0.5
276.19461	0.3
290.17535	0.5
292.15778	0.4
292.19067	1.6
303.74423	0.3
306.17044	0.3
308.18570	1.5
309.44852	0.3
320.14798	0.6
320.18552	9.8
321.18884	0.7
338.19598	100.0
338.23117	6.4
339.19928	7.2
339.23199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
54.96078	0.1
55.01879	0.2
55.05513	1.3
56.05017	0.5
57.03411	0.2
58.06588	0.5
67.05502	1.3
68.05019	0.4
68.94435	0.2
69.03428	0.4
69.07062	0.7
70.06595	1.9
71.04998	0.8
76.24723	0.2
79.05486	0.5
80.05028	1.3
81.07056	1.8
82.06580	1.1
83.08611	0.6
84.04504	0.2
84.08141	3.1
85.02883	0.2
85.06553	0.2
91.05477	0.8
93.07042	1.5
94.06560	0.4
95.08616	2.0
96.08128	0.5
97.10149	0.6
98.09701	0.2
99.04443	0.8
100.07638	0.3
102.05553	0.2
105.07013	0.7
106.06551	0.5
107.08624	1.1
108.08132	0.4
109.10143	1.1
110.09686	0.6
111.08086	0.3
119.08550	0.7
120.08113	2.2
120.08904	0.3
121.10175	0.8
122.09676	1.7
123.11707	0.5
124.11237	0.2
125.09610	0.3
128.07076	1.2
129.08963	0.2
131.08530	0.2
131.13187	0.1
133.10115	0.6
134.09656	1.9
135.10548	0.1
135.11681	0.6
136.11215	6.3
137.09689	0.3
137.12027	2.5
138.12778	4.6
138.30182	0.2
139.13141	0.2
142.08611	0.6
145.02808	0.2
145.10109	0.3
147.11684	0.4
148.11226	0.4
149.06033	0.2
150.12749	0.3
151.11205	0.2
155.15913	0.2
161.13176	0.2
162.12773	0.5
163.11131	0.2
164.14342	0.3
175.14835	0.2
176.14343	0.4
177.05464	0.4
187.14876	0.2
190.15770	0.2
194.11646	0.2
195.12582	0.4
196.13339	1.0
210.14859	0.2
232.20589	0.7
236.16443	0.2
242.18985	0.3
250.21570	0.3
260.20026	0.8
260.68771	0.2
264.15955	0.2
278.21146	100.0
279.21497	7.5
288.15955	0.6
290.17523	0.2
298.14801	0.2
306.20868	0.3
320.22107	0.8
321.24350	0.2
331.61993	0.2
338.23239	61.8
339.19919	0.3
339.23569	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	338.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.5
55.05511	8.6
57.03443	3.5
59.34225	1.8
61.62508	1.6
62.06092	100.0
67.05503	15.5
69.07064	10.0
69.75275	4.2
69.75642	3.1
70.02444	1.9
71.04984	3.0
71.08636	9.4
71.13668	1.7
79.05120	1.6
79.05499	14.2
81.03403	2.1
81.07057	16.7
82.46329	1.9
83.04978	4.1
83.08611	6.8
85.02930	2.1
91.05486	11.2
93.07056	17.4
95.04963	3.7
95.08617	12.2
97.06523	8.2
97.10139	2.2
98.97601	23.2
99.08094	3.6
105.07045	6.1
107.08590	12.0
109.06497	5.0
109.10171	5.0
111.08051	3.3
116.98631	12.0
119.08565	9.7
121.10134	5.3
123.11716	2.2
125.09628	3.7
131.96178	1.8
133.10181	4.1
134.99657	5.3
135.08084	2.5
135.11670	7.0
136.11200	3.7
137.94991	1.8
140.00172	2.1
145.10165	3.7
147.11691	5.2
150.09087	1.9
159.08134	3.3
159.11743	3.1
161.13307	4.2
162.12776	4.4
165.12730	3.0
179.14299	4.3
198.98930	4.4
222.18571	9.1
232.96570	2.4
236.16467	9.8
240.19656	10.1
241.19659	2.5
254.17496	4.3
256.96411	5.2
259.20541	2.7
264.15903	11.9
271.16772	2.6
274.97479	31.5
277.21655	5.3
289.17938	2.7
292.98624	13.9
297.99036	4.2
310.17892	2.0
316.00552	2.2
320.18552	4.7
320.25842	78.6
321.24103	3.0
321.26410	1.8
338.19757	59.3
338.26706	23.6
338.96814	2.8
339.19827	4.2
349.24722	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35125	1.6
56.96557	6.4
57.03431	2.1
61.64989	1.3
67.05510	1.8
69.03436	9.7
69.07066	1.8
70.06578	2.0
70.17805	3.1
71.04995	15.9
72.62936	2.2
77.41503	1.6
80.05013	4.1
81.03419	2.5
82.06584	2.6
83.05009	1.9
84.08133	4.3
84.96033	2.1
85.02922	8.7
87.00838	2.1
87.04481	2.4
91.05482	2.2
93.07060	1.8
94.06577	1.5
95.08593	2.5
96.08158	1.8
97.02922	2.9
97.06548	5.7
98.42496	1.5
98.97587	23.2
99.04477	3.5
100.07630	13.6
105.07005	2.3
106.19516	1.8
110.09713	2.0
110.97584	4.4
111.08065	5.2
115.03922	4.8
116.98622	10.8
119.04922	6.7
120.08083	2.1
122.09646	6.5
124.07528	1.9
124.11254	2.0
127.03920	5.4
128.98599	5.3
133.04941	1.7
134.09624	4.3
134.99635	2.0
136.07542	1.8
136.11153	4.1
143.06975	1.7
145.04950	3.0
146.99512	1.6
147.04391	28.6
148.11255	2.5
150.09145	6.5
151.03838	1.6
158.99727	2.7
162.09097	3.6
162.12743	2.7
164.07094	2.0
164.66164	1.9
167.75949	1.5
168.10187	3.4
176.10735	2.5
180.97847	2.8
182.11775	16.2
183.12068	4.0
190.12271	2.9
195.03406	2.3
204.13789	2.8
210.14983	2.8
215.80330	1.4
218.11726	1.7
219.01683	7.2
222.14674	1.9
222.60483	1.5
236.16402	4.1
237.02792	12.8
237.16893	3.1
238.14549	1.8
246.14897	4.3
247.15154	4.7
250.14241	1.6
256.96368	3.3
264.15994	14.0
265.16278	7.0
268.15530	1.8
274.97543	22.3
278.17642	3.2
292.98486	10.8
304.15372	2.8
320.18552	26.6
321.18835	15.8
322.16571	15.8
338.19611	100.0
338.96878	3.6
339.06863	1.7
339.10925	60.9
339.19913	77.2
340.10300	14.3
340.17450	19.3
340.21075	3.8
360.77808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.96576	3.6
67.05493	1.0
69.03423	4.4
69.07061	1.5
69.11484	0.7
71.05000	2.5
72.04256	0.7
72.05298	0.9
72.24289	0.6
79.05465	0.9
79.14904	0.6
80.05015	1.0
81.07057	1.2
83.04977	0.9
84.08144	0.9
85.02901	4.1
87.00875	0.7
87.04449	1.5
89.27143	0.6
91.05470	5.0
93.07050	1.2
95.08633	0.8
97.02885	0.9
97.06537	1.8
98.06107	0.7
98.97598	6.9
99.04433	0.7
100.07610	1.3
105.01873	1.8
105.07006	0.9
109.02856	1.1
111.08050	5.2
115.03939	1.6
115.07559	2.4
116.98615	3.8
119.04939	7.5
120.08113	1.6
122.09639	0.9
125.05997	1.9
125.73418	0.7
127.03938	1.9
131.07056	0.7
134.09653	3.5
134.99661	1.0
136.07561	1.0
139.07480	0.7
143.07050	2.3
145.04980	1.8
147.04404	29.2
148.04741	1.5
148.07581	1.5
150.09164	1.0
152.25630	0.8
161.01237	1.4
161.08163	1.1
162.09152	5.4
162.12845	1.3
164.07013	0.8
168.10178	1.5
178.12262	0.8
182.11781	1.6
183.12129	1.1
185.04230	1.8
189.00737	2.6
190.12260	4.3
198.98956	1.0
207.01833	2.0
208.13324	6.1
218.11787	2.4
236.12914	1.2
250.17917	0.7
254.14055	0.8
256.96600	1.5
260.16519	1.4
265.16266	1.9
274.97461	7.9
276.15994	1.7
278.17480	8.9
292.98587	3.8
294.17072	1.9
295.20956	2.2
304.15594	1.1
321.14578	1.6
321.18820	1.7
322.16574	5.5
322.20004	1.4
338.19626	2.4
339.10529	100.0
339.15320	3.0
339.19562	27.4
340.11240	5.8
340.17505	35.5
340.21133	3.5
347.37933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05505	0.8
56.05023	0.4
60.01592	0.2
60.88639	0.2
65.03934	1.0
67.05497	1.4
68.05804	0.3
69.03418	0.9
69.39530	1.3
70.06587	4.0
71.04985	2.1
71.06917	1.2
72.05312	0.3
74.40086	0.3
79.05494	0.4
80.03105	0.2
80.05016	0.7
81.07060	0.7
82.06562	0.6
83.04987	0.3
83.07366	0.5
84.08139	18.9
85.02890	0.9
85.06557	0.6
85.07906	0.5
85.08470	5.7
91.05479	6.6
93.07034	0.8
94.06564	0.8
95.04964	0.4
95.08602	2.2
96.04012	0.3
96.08129	0.9
96.08945	1.1
97.02844	0.5
97.06529	0.5
97.08408	0.5
97.08948	0.6
98.09245	0.5
98.22744	0.4
98.97570	0.9
99.04453	0.7
105.01865	0.3
105.06985	0.3
107.08580	0.5
108.08115	0.8
109.08915	0.3
110.06034	0.7
110.09692	0.6
111.08077	0.6
111.10040	0.4
113.05987	0.5
119.04938	15.7
120.05301	0.5
120.08110	0.6
122.06073	0.3
122.09657	4.7
123.09945	2.6
124.11205	1.1
125.05964	0.3
125.11581	0.7
126.09123	0.3
127.03905	1.0
129.05482	0.8
130.05789	0.3
134.09648	0.6
135.10443	0.4
136.07643	1.4
136.08482	0.3
136.11246	2.8
137.11867	2.3
138.12314	2.2
139.07475	0.3
139.13121	0.5
141.05472	0.6
141.09158	0.3
142.05759	0.5
142.09535	0.3
147.04402	60.1
148.04735	2.1
148.11189	0.4
149.11600	0.4
150.09106	0.6
150.12778	0.5
151.09517	0.4
151.13104	0.5
152.07054	1.5
159.06555	0.3
160.06898	0.4
162.12790	0.5
163.13091	0.6
164.07080	1.4
164.14334	1.4
165.14685	1.1
165.74629	0.3
166.15634	0.3
177.05418	0.5
182.08119	0.5
182.11781	0.5
191.12415	0.3
192.13863	1.0
193.14171	0.8
194.11780	0.3
195.65559	0.3
208.13356	0.4
210.14880	12.0
211.15216	19.3
212.15491	0.5
235.15208	0.3
236.16487	0.7
237.16779	2.1
247.15305	0.5
248.16341	0.5
253.16307	0.4
264.16006	1.2
265.16275	3.1
274.97562	0.8
276.19629	0.4
293.19418	0.7
303.13412	0.7
320.18634	1.8
321.14932	0.7
321.18863	14.3
322.16373	0.5
322.19821	0.6
338.19611	9.1
339.19928	100.0
340.17432	2.1
340.21021	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	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.03937	0.4
54.75358	0.3
58.04528	0.3
58.20206	0.4
58.78833	0.3
64.26697	0.3
65.03940	1.6
67.05498	0.7
69.03431	1.1
69.07056	0.5
69.36486	0.4
70.06599	0.6
71.04990	0.5
71.46516	0.6
81.07040	0.8
83.04991	0.6
84.08128	0.6
85.02893	1.1
85.06521	0.8
91.05478	24.5
92.05805	0.6
93.07024	0.5
95.04945	0.5
97.02906	0.7
105.01884	0.4
107.08595	0.5
109.06499	0.4
111.04438	0.5
111.08085	0.6
119.04943	28.8
120.05251	0.5
121.06438	0.4
125.09599	0.4
127.03895	0.6
140.01122	0.4
145.02785	0.9
147.04405	100.0
148.04749	4.0
168.04167	0.4
175.61322	0.4
177.05498	1.4
178.04988	6.3
181.04941	0.5
187.75111	0.4
205.16090	0.4
220.13643	0.4
241.08725	0.4
242.11604	0.4
294.16983	0.4
322.16568	0.5
322.20151	0.7
338.23193	1.2
339.19830	2.0
339.23618	2.1
340.17850	0.5
340.21198	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	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.05501	0.9
57.36193	0.3
65.03946	1.2
66.56567	0.4
66.80542	0.4
67.05502	1.4
69.03419	1.8
70.06601	2.4
70.33047	0.9
71.04989	1.8
79.05511	0.5
81.07054	0.8
84.07672	0.7
84.08144	9.5
85.02906	0.5
85.08478	3.1
91.04943	0.9
91.05486	12.5
93.07040	0.5
95.04978	0.9
95.08603	1.3
96.08949	0.7
97.02891	0.6
97.08954	0.4
98.97579	1.7
105.07008	0.6
108.08088	0.5
110.09698	0.6
111.08087	1.4
116.98573	0.4
119.04948	27.0
120.05315	0.6
120.08095	0.5
122.06049	0.6
122.09657	1.9
123.09988	1.3
124.07606	0.5
128.04347	0.4
134.09727	0.6
136.07574	1.3
136.11182	1.2
137.11908	0.8
138.09126	0.8
138.12254	0.5
147.04411	100.0
148.04745	3.3
150.09180	0.7
150.12793	0.5
152.07072	0.9
164.07066	1.2
165.14723	0.6
177.05435	0.6
178.04999	0.6
182.08095	0.4
186.99615	0.4
192.13879	0.4
193.14101	0.5
208.13229	0.6
210.14914	5.7
211.15237	9.4
247.15236	0.7
248.16484	0.8
264.15897	0.5
265.16299	2.2
274.97437	0.7
292.98596	0.6
293.19144	0.5
294.11237	1.6
295.11966	0.5
303.13504	0.9
304.15454	0.6
320.18494	1.1
321.18869	7.6
322.16501	1.7
322.19885	0.5
338.19604	5.6
338.23257	0.7
339.13342	2.7
339.19949	53.7
340.17511	8.5
340.21024	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	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.01863	0.5
55.05497	0.3
58.19318	0.2
65.03938	0.7
65.55223	0.2
66.02728	0.2
67.05515	0.5
67.12969	0.2
69.03425	3.1
70.06589	0.8
70.71993	0.3
71.04978	0.4
79.05469	0.2
81.03415	0.3
83.04967	0.8
87.00818	0.5
91.05476	7.7
93.07002	0.3
94.06536	0.3
95.04978	0.3
95.08588	0.4
95.90055	0.2
96.08129	0.5
96.63669	0.2
97.02901	0.4
105.01854	0.8
105.07018	0.3
110.09666	1.1
111.04436	0.3
111.08069	13.6
115.03937	0.3
119.04933	22.2
119.08508	0.3
120.05278	0.8
122.09644	0.2
124.11231	0.4
125.05966	0.7
125.09641	0.3
127.03901	0.6
130.06546	0.3
134.09644	0.6
136.11194	1.8
139.07430	0.3
140.10631	0.3
145.04924	0.3
147.04396	100.0
148.04721	3.6
148.11235	0.4
149.12004	0.3
150.09100	0.3
160.11171	0.3
162.12793	1.0
165.05438	0.7
168.10202	0.3
176.14337	0.2
180.13809	0.4
188.14291	0.2
196.22809	0.2
206.15424	2.6
208.13297	0.7
210.14951	0.4
216.13936	0.5
222.14864	0.2
234.14864	15.4
248.16443	6.6
252.18793	0.2
262.17993	0.3
265.16324	0.4
266.17426	1.2
276.15442	0.2
294.20508	1.1
308.18506	4.1
322.20099	18.7
338.19595	0.4
339.19931	6.0
340.21152	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
54.14476	0.6
55.01864	2.2
55.05503	1.1
56.96562	1.1
57.03439	5.1
61.02927	5.2
61.17255	0.6
67.05492	0.9
69.03428	25.3
70.06583	1.0
71.04996	4.5
73.02916	5.1
79.05492	0.9
81.03419	13.2
82.06566	0.8
83.04993	0.8
84.08145	2.4
85.02905	71.7
86.03223	1.0
87.00829	1.2
87.04467	27.1
91.03971	3.9
91.05486	5.4
93.07061	0.6
94.06521	0.8
95.04955	1.3
95.08607	1.2
97.02894	21.4
97.06516	1.2
97.79086	0.6
98.97588	4.1
99.04439	5.2
101.02397	0.9
103.03958	1.3
105.01864	0.8
108.08079	0.6
109.02876	9.4
110.06084	1.0
111.08149	0.8
115.03930	100.0
116.04287	1.1
116.98631	2.8
119.04939	10.5
119.08604	0.7
120.08067	1.1
122.09640	1.1
125.09612	0.7
127.03915	32.0
128.04277	0.8
129.05472	0.8
133.04968	21.5
134.09680	1.5
134.99617	0.9
136.07581	1.6
136.11192	1.0
145.04961	35.0
145.08612	0.7
146.05293	0.8
147.04407	43.7
148.04742	1.8
148.11154	0.8
150.09215	1.4
153.05470	0.6
157.04933	1.7
159.06650	0.7
163.03946	1.3
163.05981	4.9
163.09692	0.6
164.07140	1.4
171.06543	0.7
172.15845	0.7
175.06056	0.7
182.08087	1.0
182.11784	1.1
183.12158	1.0
203.03406	0.8
207.06581	0.6
208.13321	1.2
210.14941	0.8
211.69920	0.6
223.15251	1.2
240.67979	0.6
241.07079	1.1
247.15224	1.7
248.16241	0.7
248.79013	0.7
258.14847	1.1
259.08127	7.3
264.15945	2.0
265.16367	6.6
274.97491	4.9
277.09158	5.3
292.98547	2.8
304.15427	0.7
304.18936	0.9
320.18381	0.9
321.14941	0.9
321.18866	9.0
322.16434	2.2
322.20139	2.7
338.19614	4.2
338.23199	1.0
338.96823	1.1
339.16348	2.4
339.19925	53.4
340.13632	0.8
340.17508	9.4
340.21161	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	339.1908
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05504	2.3
56.96561	0.8
57.03899	0.6
57.07068	0.8
64.65937	0.6
67.05486	1.9
69.07052	2.1
69.90997	0.6
69.91306	1.1
75.56741	0.5
79.05476	0.9
79.40088	0.5
81.07052	1.8
83.08617	0.9
83.27873	0.5
88.07608	0.5
93.07032	1.0
95.08614	0.8
98.91930	0.9
98.97579	5.7
102.61214	0.6
109.10144	0.8
111.08045	0.7
116.98618	2.9
123.80464	0.5
134.99614	1.4
154.92499	0.6
180.97858	0.7
181.31714	0.6
186.79016	0.6
193.04927	0.8
242.30164	0.6
256.26456	0.8
256.96436	0.7
274.97437	8.3
292.98584	3.1
297.98950	1.5
338.34006	1.4
339.19040	100.0
340.19354	6.7
340.27975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05513	3.6
56.96558	1.0
57.03427	2.0
57.07058	1.6
62.97974	0.8
62.98257	10.1
67.05508	4.4
67.05800	0.9
67.46855	0.8
69.07064	2.1
69.48518	1.3
69.48901	1.7
70.74020	0.8
71.04977	1.5
71.08620	1.9
79.05498	3.9
81.03414	2.1
81.07068	4.9
83.04973	1.5
83.08618	1.8
89.06017	2.6
90.06358	0.7
91.05460	3.0
93.07043	3.4
95.04964	1.5
95.08613	3.7
97.06496	1.7
97.10166	2.1
98.96991	1.0
98.97589	9.1
103.98501	1.6
105.07023	2.2
107.04951	1.5
107.08566	2.6
109.06504	1.5
109.10151	1.8
116.98618	5.6
117.07013	1.0
119.08569	2.8
121.06504	1.1
121.10123	1.4
123.08029	0.9
125.09649	0.9
129.06946	0.9
131.08571	2.3
133.08650	0.8
133.10120	1.0
134.99672	2.1
135.11703	1.0
136.11197	0.6
137.09650	0.7
143.08475	1.0
145.02338	0.8
145.10121	1.9
147.08020	0.8
149.02339	2.1
160.35712	0.6
163.11142	0.8
171.11612	0.7
187.11063	1.0
191.10641	1.8
193.04974	3.8
195.12285	1.2
198.98962	1.6
232.96519	0.7
241.11664	0.7
245.29517	0.8
256.96411	2.5
269.11353	3.5
270.12018	0.8
271.16989	0.9
274.97482	14.0
275.97827	0.8
289.18048	1.8
292.98471	7.4
293.20755	0.7
297.99118	2.5
315.99948	0.8
317.19537	1.2
321.17853	5.6
322.26755	1.1
335.20505	1.4
338.96780	1.7
339.19055	100.0
339.27341	8.4
339.77866	2.0
340.19308	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	339.1909
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
56.96550	0.4
62.06080	1.0
62.98257	6.4
63.68449	0.3
69.07094	0.5
69.49819	1.5
92.04111	0.3
97.01351	0.3
98.23454	0.7
98.91946	0.3
98.97583	8.6
116.98624	3.8
126.01826	0.4
134.99655	1.0
140.00194	0.3
161.13121	0.4
164.92171	0.3
172.94313	0.5
180.97849	0.6
198.98935	1.0
217.08141	0.7
232.96608	0.5
256.96429	1.2
274.97534	9.2
292.98560	5.0
297.99066	1.3
315.18103	0.5
316.00241	0.7
317.19644	0.8
321.18018	6.0
322.18573	0.3
322.27386	1.0
335.20651	0.8
338.96747	0.6
339.19073	100.0
340.19308	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	339.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.8
55.01878	9.1
55.05505	16.3
56.96572	5.3
57.03444	14.9
58.75916	2.5
59.09476	2.5
59.23932	2.5
64.65163	2.4
66.92877	2.3
67.05507	37.4
69.03419	6.0
69.07064	10.9
73.11620	2.9
79.05498	33.8
80.67992	2.4
81.03427	25.3
81.07058	100.0
83.04982	33.6
83.08599	6.8
85.02933	2.7
85.06550	8.8
91.05485	25.9
93.07039	41.8
95.04968	14.4
95.08606	40.7
97.06512	4.1
97.10172	3.7
98.97585	44.7
99.08118	3.4
105.07022	16.1
107.04959	27.9
107.08620	16.5
109.06530	40.7
109.10162	5.1
111.04453	31.0
111.08088	11.7
116.98627	29.9
117.07021	11.5
119.04958	3.3
119.08569	9.1
119.09325	2.5
121.06519	9.6
121.10140	8.7
123.04426	7.5
123.08090	12.1
129.05467	3.5
131.08562	11.3
133.06529	4.3
133.10143	10.5
134.99658	10.2
135.08049	10.4
135.11685	27.2
137.05934	2.9
137.09604	3.5
139.07585	3.2
141.07022	5.1
142.42824	2.6
143.08585	5.4
145.06490	12.1
145.10150	7.4
147.08064	3.4
149.06021	3.6
149.09630	3.6
149.13252	11.9
151.07562	3.3
155.06314	2.6
155.08586	3.4
159.08066	6.7
159.11703	22.2
161.09592	4.6
163.07610	4.2
163.11143	6.9
169.10088	5.5
173.13232	3.3
175.11148	3.4
177.12744	34.9
180.97842	5.5
187.11206	18.2
191.10806	2.8
197.13402	2.8
198.98880	8.8
203.13107	3.1
205.12236	8.9
209.15384	18.8
223.13361	4.9
225.16467	2.7
232.96524	5.4
233.15384	11.2
234.14897	4.2
236.16443	3.3
237.16829	6.9
240.83299	3.0
241.14377	9.9
243.17482	5.7
255.15958	9.0
256.96509	9.6
261.18469	12.1
265.16278	4.8
271.16946	8.7
274.97513	75.9
275.97754	2.7
289.17990	63.8
290.18216	6.9
292.98593	36.1
297.99069	8.9
303.19595	8.1
307.19086	4.7
316.00104	5.1
321.20584	25.1
321.24231	7.9
322.20410	5.8
338.96906	8.2
339.12256	15.0
339.19901	37.5
339.24182	47.2
340.21194	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	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03930	0.9
55.05513	35.5
56.05836	0.8
57.03440	19.3
57.07079	17.1
58.03766	0.5
59.04996	0.5
64.02427	0.4
65.03928	0.7
67.05506	25.6
68.05843	0.6
69.03410	0.5
69.07071	46.1
70.07371	0.6
70.72552	0.4
70.72892	0.6
71.04987	1.6
71.08633	7.3
73.06546	0.4
79.05496	11.3
81.07059	24.8
83.04962	1.2
83.08621	30.1
84.08946	0.7
85.06541	1.2
85.10186	3.1
91.05480	1.3
93.07049	14.3
95.04958	0.9
95.08607	23.9
96.08942	0.6
97.06528	4.6
97.10171	17.4
99.08093	1.0
107.08595	8.4
109.10155	10.3
111.08113	2.4
111.11715	5.0
121.10149	13.1
123.11715	3.3
125.09647	1.8
125.13277	1.1
127.11132	0.4
135.11690	10.2
137.13255	0.9
139.11147	2.2
149.13234	4.4
151.14816	1.2
153.12775	1.7
163.14816	1.6
165.16399	1.2
167.14326	0.6
172.06120	0.5
177.16417	0.8
179.17973	0.5
191.17921	0.5
247.24258	2.5
265.25281	4.0
317.73224	0.4
339.28940	100.0
340.29404	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03942	1.1
53.13705	0.3
55.01865	0.7
55.05510	30.1
56.05844	0.5
56.08017	0.3
57.03437	17.8
57.07076	14.0
60.08658	0.4
65.03939	0.5
66.73098	0.3
67.05502	21.3
68.05830	0.5
69.03450	0.3
69.07066	42.2
69.61439	1.1
70.06584	0.4
70.07391	0.7
71.04990	1.8
71.08264	0.6
71.08630	7.2
71.89193	0.3
73.06548	0.6
75.89854	0.3
79.05039	0.6
79.05495	10.2
81.07054	23.4
82.07375	0.7
83.04968	1.3
83.08616	29.2
84.08952	0.8
85.06540	1.1
85.10172	3.1
85.72184	0.3
88.26045	0.3
91.05486	1.5
93.06442	0.7
93.07040	14.2
94.07371	0.5
95.04981	0.7
95.08602	22.6
95.48670	0.3
96.08935	0.6
97.06527	4.2
97.10169	15.8
98.10512	0.6
98.97585	1.8
99.08100	1.2
101.06020	0.6
105.07024	0.5
107.07847	0.3
107.08591	9.0
109.10149	10.7
111.08087	3.0
111.11719	5.2
113.09670	0.4
116.98606	0.9
119.06102	0.3
119.08591	0.4
121.09264	0.7
121.10141	12.1
122.10419	0.4
123.11698	2.7
125.09664	1.7
125.13271	0.8
127.11209	0.5
129.09204	0.3
130.41975	0.3
133.10110	0.5
135.11687	10.0
136.12036	0.4
137.13242	1.1
139.11209	1.5
149.12088	0.5
149.13251	4.6
151.14803	1.0
153.12756	1.3
163.14822	1.8
165.16422	0.9
167.14297	0.5
175.11171	0.3
177.16330	0.9
179.17941	0.4
181.15935	0.5
191.17921	0.8
201.01881	0.3
209.18997	0.4
236.53201	0.3
247.24245	2.7
256.96454	0.4
265.25253	4.5
274.97433	2.2
283.11014	0.4
283.16949	1.8
292.98508	1.1
339.19669	2.1
339.28922	100.0
340.29260	9.1
340.35565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2897
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.22803	0.4
51.40364	0.4
53.03949	1.1
55.01862	0.5
55.05513	32.9
56.05849	0.7
57.03437	19.5
57.07076	14.7
65.03925	0.4
67.05506	20.9
69.03433	0.4
69.07069	42.6
70.07386	0.6
70.72430	0.5
71.04982	1.4
71.08259	0.7
71.08630	7.3
73.06549	0.6
73.43582	0.4
79.05493	9.3
81.07058	23.8
82.07407	0.6
83.04963	1.2
83.08620	28.4
83.41799	0.4
84.08979	0.6
85.06533	1.0
85.10178	3.2
91.05476	1.4
93.07043	12.6
95.08608	22.5
96.08924	0.4
97.06544	4.1
97.10172	16.0
98.10509	0.7
99.08083	1.0
105.57713	0.4
106.31099	0.4
107.08595	8.6
109.10157	10.5
111.08100	3.4
111.11713	3.5
113.09635	0.4
115.07557	0.6
121.10148	11.9
123.11720	3.4
125.09624	2.3
125.13251	0.5
129.63919	0.4
135.11690	8.2
137.13243	0.9
138.40698	0.4
139.11192	1.8
149.13248	4.8
151.14876	1.1
153.12727	0.8
163.14809	2.0
165.16405	1.1
165.88397	0.4
167.14276	0.5
177.16394	0.8
191.17946	0.7
197.17563	0.3
224.51816	0.4
247.24118	3.2
260.83142	0.4
265.25262	3.2
339.28931	100.0
340.29218	7.0
340.39304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01876	0.6
55.05510	25.3
56.05836	0.5
56.06545	0.3
56.81956	0.3
57.03437	14.7
57.07076	12.2
59.04994	0.4
65.03941	0.4
67.05503	19.9
67.17933	0.3
69.07066	37.0
70.05432	0.3
70.07403	0.7
71.04982	1.2
71.08270	0.4
71.08631	5.7
71.38519	0.4
77.03908	0.3
79.05489	8.5
81.07054	21.3
82.07408	0.3
83.04982	0.7
83.08616	22.8
84.08964	0.5
85.06530	1.4
85.10169	2.8
91.05479	1.5
93.07039	10.4
93.07604	0.6
94.07375	0.4
95.04964	0.8
95.08604	20.0
96.08958	0.7
97.06535	3.4
97.10167	13.4
98.10538	0.4
99.08079	0.6
101.06041	0.5
107.08588	6.6
109.10155	8.9
111.08090	2.5
111.11710	4.3
113.09646	0.4
121.10146	10.8
122.10497	0.6
123.11720	2.5
125.09620	1.3
125.13249	0.8
127.11182	0.3
135.11684	7.8
137.13246	0.8
138.18619	0.3
139.11165	1.7
149.13231	3.2
151.14804	1.0
153.12756	1.6
163.14816	1.9
165.16382	1.0
166.51224	0.3
167.14352	0.6
177.16370	0.9
181.15977	0.3
191.17909	0.7
205.19600	0.5
210.13962	0.3
231.11124	0.3
247.24178	2.9
265.25262	4.0
339.28918	100.0
340.29239	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	339.9834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30590	9.1
70.73767	1.7
79.19716	1.6
94.93025	5.0
95.63826	1.7
96.46810	1.9
98.07258	1.7
104.10744	11.9
112.89597	3.3
119.92539	3.7
136.94058	3.4
137.67357	1.7
173.97183	6.3
186.73654	1.8
188.93484	2.1
196.84021	1.7
217.96127	3.6
219.94102	57.5
220.94408	2.6
221.95665	7.7
249.95140	13.8
261.95187	6.1
263.92758	4.3
279.96201	100.0
280.96594	3.3
339.98273	26.6
340.05225	2.1
345.43613	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1027
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.12361	0.2
53.03904	0.3
55.01839	0.3
57.03386	0.6
59.04950	0.1
61.02922	1.1
69.03429	2.6
69.54623	0.6
70.06590	11.6
70.06956	0.4
71.04954	0.2
73.02862	0.5
76.23342	0.1
77.03893	0.2
81.03413	1.1
82.70006	0.2
85.02902	5.8
87.04410	0.4
91.03892	0.2
93.06989	0.2
94.06528	0.3
95.04954	0.2
97.02892	2.1
98.06046	0.7
99.04427	0.3
104.04999	0.7
105.03372	0.3
109.02905	0.8
111.08016	0.4
117.29465	0.1
122.03639	0.2
122.05991	0.5
122.09546	0.1
125.06004	0.3
125.09551	0.2
126.05504	1.0
127.03909	1.3
129.06940	0.3
132.04446	4.9
132.58922	1.5
133.04767	0.2
136.11182	0.5
136.91565	0.1
137.04277	0.1
137.05975	2.7
138.36374	0.1
143.10678	0.2
145.04930	0.6
149.16602	0.1
157.06438	0.2
160.03880	0.4
161.05885	0.2
162.12814	0.2
167.11758	0.4
174.06723	0.3
175.07568	0.5
178.04982	100.0
179.05354	3.5
179.07007	0.2
181.11513	0.9
187.07510	1.0
189.09091	0.3
195.11258	2.1
196.05078	0.2
203.08540	0.4
209.67259	0.1
210.14960	0.4
211.07416	0.3
217.08615	0.5
219.08005	0.3
220.08968	0.2
227.06885	0.3
231.08089	0.3
234.14948	0.5
239.07092	0.3
240.07831	0.2
242.11456	0.2
243.63872	0.3
247.07556	0.3
248.08304	0.5
248.16484	1.2
255.06622	0.2
256.07404	0.2
263.10721	0.4
266.17538	0.2
268.07709	0.1
270.08896	0.3
271.09695	0.5
276.07703	0.3
277.08521	0.2
279.10214	0.2
283.09726	0.2
291.10172	1.1
292.16556	0.3
294.20795	0.2
296.10553	0.2
311.12936	0.4
322.20081	1.4
323.12820	1.0
340.10199	1.2
340.21274	5.7
341.13657	0.7
341.21603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01874	7.0
57.03443	3.1
61.02935	6.1
65.84455	1.1
68.57104	1.1
68.99809	1.9
69.03435	35.3
69.55494	4.5
69.55824	1.3
70.06634	1.3
71.04994	3.5
73.02927	6.2
81.03422	19.5
85.02911	100.0
86.03281	2.7
87.00833	47.0
87.04481	2.2
87.76373	1.3
97.02905	28.1
97.03499	2.5
99.04460	13.6
105.01875	79.1
106.31114	1.2
108.04498	3.0
109.02889	21.0
111.08104	5.5
117.01856	2.0
122.68855	1.1
127.03922	71.7
129.01826	3.6
145.04961	34.7
146.05414	1.6
147.02898	2.5
159.02913	12.3
179.03430	1.6
189.03951	3.3
213.04063	2.4
231.04991	21.3
234.14862	6.5
248.07573	1.6
249.06049	7.8
264.63681	1.5
308.18494	2.6
322.20172	6.2
340.21082	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	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01865	4.3
55.02110	0.9
57.03433	5.5
61.02932	5.7
68.99801	1.5
69.03434	40.1
70.65476	1.3
71.04996	3.4
73.02905	6.1
75.22482	0.9
81.03416	17.3
83.01328	1.2
85.02910	100.0
86.03244	2.8
87.00835	43.9
87.01388	1.8
87.04493	5.0
90.22674	1.0
91.03940	3.0
97.02898	30.0
97.52897	1.0
98.06007	1.5
99.04456	10.0
99.41751	1.1
105.01872	73.7
108.04468	1.9
109.02874	24.1
111.08093	11.9
115.03935	19.2
117.01842	2.5
127.03923	70.2
128.04257	1.8
129.01831	2.7
133.04971	7.1
140.97739	1.0
145.04962	39.3
146.05327	1.1
147.02942	1.5
147.04428	2.3
147.47292	1.0
148.04733	2.4
159.02885	7.5
163.06113	2.3
189.03931	3.1
191.78026	1.0
206.15439	1.6
213.03986	2.3
231.04979	19.3
234.14882	14.7
249.06104	9.1
259.08014	1.7
277.09143	4.4
280.19275	1.1
294.20618	1.4
305.12418	1.4
308.18527	4.6
322.16647	2.2
322.20078	14.4
340.17487	2.8
340.21167	27.3
341.21323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1754
Annotation	Aucherine
Peak:m/z	Relative Intensity
55.01870	1.4
55.05511	2.4
67.05510	2.0
68.05017	1.8
69.03428	29.7
70.06586	4.7
71.04996	2.6
72.08177	0.8
73.06611	0.8
79.05515	1.0
80.05010	1.3
81.07060	2.7
82.31937	1.0
84.08151	2.9
85.02895	2.8
91.05471	2.0
92.31869	0.8
93.07037	1.9
94.06589	1.5
95.04956	1.4
95.08587	1.1
98.06076	1.0
99.04459	1.5
105.07008	1.1
110.06092	0.8
110.07172	3.8
110.09677	3.0
111.08076	78.3
112.08391	2.6
115.03932	4.4
115.04646	0.9
116.07128	0.9
119.04948	2.3
119.08545	1.3
120.05280	1.5
120.08116	2.5
122.09673	2.8
125.05951	1.1
125.09577	1.0
127.03894	1.1
134.05965	0.9
134.09674	3.6
136.06183	1.7
136.07573	1.0
136.11203	3.6
136.39644	1.0
138.09137	3.8
139.07535	10.1
140.10703	0.8
143.06958	0.9
143.10657	1.9
145.04962	1.8
147.04396	6.8
148.04745	7.2
150.09122	2.6
152.10721	2.7
156.07652	1.1
157.08615	4.0
162.09232	1.0
162.12871	1.1
164.10799	1.1
166.08624	3.4
168.10118	1.8
178.04968	1.9
182.11761	2.4
184.09695	3.7
187.07420	0.9
190.12257	1.6
198.11282	2.1
202.12227	1.1
208.13306	8.7
220.39507	1.0
224.12860	1.1
234.14833	1.0
248.12782	1.8
248.16461	11.0
258.14917	1.4
266.16995	1.7
276.15945	5.6
290.17410	0.8
294.16940	8.8
294.19870	1.3
304.15466	2.1
308.18427	2.0
322.16452	57.5
322.20041	14.6
323.16748	3.3
340.17484	100.0
340.21075	70.5
341.13916	1.0
341.17749	6.9
341.21439	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	340.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
55.05504	7.2
59.81701	0.6
61.02924	1.3
61.40361	0.5
67.05507	1.2
69.03432	11.1
69.03803	1.0
69.07061	1.4
69.58492	2.3
70.06590	3.1
71.04970	1.0
73.02915	0.7
79.05489	1.5
81.03421	2.2
81.07033	2.5
83.08614	6.1
84.04493	0.6
85.02902	13.8
87.00826	4.9
96.08129	0.6
97.02885	4.1
97.10167	14.6
98.22780	1.1
99.04457	1.5
101.09593	0.7
105.01856	8.3
105.07055	0.8
107.08585	2.2
109.02856	2.6
110.09673	1.4
111.08080	28.7
122.09692	0.9
125.06014	0.9
125.08698	1.1
125.09627	21.8
126.10000	0.6
127.03907	8.3
130.05054	0.7
136.11208	3.8
137.05939	1.2
143.10667	38.7
144.10999	0.9
145.04962	5.2
146.09705	0.7
150.12778	0.6
158.09665	0.6
159.02884	0.9
161.11736	5.1
162.12836	1.3
174.12752	0.7
180.13940	0.8
187.07562	0.7
206.15408	5.4
207.15863	0.7
208.13283	1.6
210.14775	1.0
216.13914	1.0
231.05025	2.0
234.14879	33.8
235.15219	1.4
248.16458	14.9
262.17990	0.7
266.17554	2.2
294.20654	2.0
308.18552	10.9
309.18716	0.6
322.20108	41.6
323.20468	2.7
340.21182	100.0
341.21439	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03062	0.8
69.03426	12.4
69.56773	2.0
70.06596	4.1
71.04988	0.9
78.99516	0.5
79.05478	0.6
81.07035	0.8
93.07005	0.6
94.06548	0.7
96.08115	1.4
97.02840	0.5
98.22681	0.9
98.60561	0.5
100.63480	0.5
105.07021	0.7
110.09674	1.7
111.08080	58.2
112.08398	1.4
116.35481	0.5
122.09635	0.8
125.05972	0.7
139.07486	0.6
140.10765	0.6
145.04935	0.9
150.09148	1.1
160.11139	0.7
168.10147	0.6
180.13873	1.5
188.14302	0.6
206.12045	0.4
206.15395	10.8
207.15742	0.6
208.13351	2.2
216.13931	0.6
234.14880	69.0
235.15211	3.7
248.16446	0.5
262.18066	0.9
271.79388	0.4
280.19177	1.3
294.20566	4.0
308.18546	19.8
309.19031	1.0
322.20120	60.2
323.20505	3.5
340.21179	100.0
340.94006	0.5
341.21478	6.9
360.31671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41646	0.3
53.03946	0.5
55.01867	0.7
55.05499	0.6
57.03435	0.5
57.07061	0.6
58.89392	0.3
59.51944	0.4
61.02924	0.8
61.81216	0.3
67.05499	0.6
69.03430	6.4
69.94218	0.5
69.94525	0.4
70.06580	0.6
71.04982	1.1
73.02905	0.5
75.60615	0.3
75.87179	0.3
78.75662	0.2
80.04998	0.5
81.03414	1.8
81.07044	0.8
82.06580	0.4
83.04976	0.6
83.26008	0.3
84.08128	0.8
85.02905	8.8
87.00339	0.5
87.00831	4.8
87.04476	0.3
90.57259	0.3
91.05464	0.4
93.07047	0.4
94.06545	0.4
95.08599	0.8
96.08156	0.4
97.02894	6.5
97.06573	0.3
97.99400	0.3
98.06084	0.3
99.04449	1.4
105.01864	9.1
107.07330	0.7
107.08553	0.3
108.08093	0.6
109.02863	2.3
109.10180	0.5
110.05987	0.4
110.09684	0.6
111.08073	3.8
115.03945	0.3
119.08610	0.3
120.08108	0.5
121.06570	0.3
122.09685	0.8
125.06032	0.4
125.09651	0.7
127.03912	7.8
129.01837	0.5
132.08069	0.5
133.02853	0.7
134.09627	0.8
135.10400	0.3
136.07588	0.5
136.11224	1.6
138.12787	0.6
145.04964	6.2
146.09612	0.7
148.04742	0.5
148.11211	0.6
150.09108	0.5
150.12784	0.6
152.84595	0.3
154.20284	0.3
158.09637	0.6
159.02914	0.6
160.07587	0.9
162.09068	0.3
162.12811	0.6
164.07091	0.4
164.10692	1.3
164.14377	0.4
165.07486	0.6
166.12268	0.5
172.11110	0.3
178.12303	0.3
179.03401	5.3
180.13963	0.3
182.11766	2.7
183.08418	0.3
188.14333	1.2
198.12895	0.3
202.12337	0.4
204.13863	0.4
206.15413	1.2
208.13342	0.5
216.13872	1.2
220.13419	0.8
222.14891	0.7
230.15468	1.0
231.04976	2.6
231.99338	0.3
234.14883	6.2
234.18459	0.5
235.15309	0.5
238.14380	0.7
246.14845	0.5
247.15680	1.0
248.16440	2.6
249.06055	2.5
250.18021	1.3
258.18512	0.6
262.17981	2.0
264.15955	1.3
268.16922	0.4
276.19583	1.4
286.18015	1.9
294.20593	0.5
304.19070	12.6
305.19455	0.8
308.18607	2.5
322.20108	22.9
323.20502	1.3
340.21173	100.0
341.21481	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	340.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50488	0.2
54.67587	0.3
55.01871	0.4
55.05495	0.9
57.03425	0.4
57.07062	1.1
62.98258	2.3
67.05501	0.7
69.03430	2.0
70.06590	0.5
71.04975	1.2
71.45314	0.3
79.05494	0.3
80.05027	0.4
81.03436	0.6
81.07042	0.8
82.06567	0.9
83.04970	0.8
84.08127	0.5
84.22672	0.3
85.02892	1.0
87.04467	0.3
93.07045	0.4
94.06561	0.6
95.04982	0.4
95.08598	0.8
96.08137	0.4
97.02853	0.5
97.06548	0.4
99.04465	0.5
100.07638	1.8
101.06013	0.3
105.01855	0.3
105.07007	0.5
106.06575	0.4
107.07315	0.8
107.08618	0.3
108.08126	0.4
109.06505	0.4
109.10119	0.3
110.09686	1.0
111.08070	0.5
115.03941	0.5
116.04234	0.2
119.08555	0.3
120.08086	1.0
121.06466	0.3
121.08906	0.3
122.09679	0.4
124.11259	0.3
125.09622	1.0
127.03947	0.6
132.08003	0.4
133.08829	0.3
133.10005	0.2
134.09631	1.0
136.11183	0.8
137.05963	0.3
143.07028	0.4
145.04956	0.4
146.09703	0.7
147.10484	0.3
148.11189	1.0
150.09158	0.4
152.10692	0.4
152.24965	0.2
158.09634	0.3
160.11243	0.6
162.09154	0.7
162.12811	0.3
164.10719	0.9
164.14377	0.3
166.12221	0.5
174.12709	0.3
176.10687	0.4
176.14340	0.4
178.12280	0.5
179.03493	0.7
182.11789	2.0
184.11241	0.3
188.10728	0.3
188.14282	0.5
196.13339	0.5
202.12253	0.7
204.13809	0.7
206.15393	0.4
207.07629	0.9
208.13287	0.4
214.62785	0.3
216.13850	2.9
217.14159	0.3
220.13226	0.5
222.14940	0.8
224.12709	0.3
230.15459	0.6
232.13258	0.5
234.14825	1.8
236.16486	0.4
238.14459	0.7
246.15042	0.5
247.15697	1.2
248.16490	1.3
258.18527	1.0
261.17261	0.5
262.18030	1.1
264.15979	3.1
268.17282	0.4
271.15628	0.4
276.16046	0.4
276.19595	1.1
286.17990	1.9
304.19055	12.9
305.19443	0.7
306.80673	0.3
322.16647	1.8
322.20102	30.4
323.12201	0.4
323.20468	1.7
334.41196	0.3
340.17670	5.7
340.21170	100.0
341.18198	0.4
341.21548	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05503	0.9
56.96566	0.6
60.95854	2.5
67.05502	1.5
67.96045	0.3
67.96471	0.3
69.03433	3.1
69.07063	1.1
70.06582	1.0
70.19925	0.9
71.04994	5.2
79.05495	1.6
80.05003	1.3
81.03413	0.4
81.07040	1.7
82.06576	0.6
83.04984	1.1
84.08134	1.4
85.02892	1.0
87.04464	0.7
91.05479	0.7
93.07055	0.7
94.06585	0.7
95.04977	1.3
95.08600	1.2
96.08128	0.9
97.02864	0.7
97.06544	2.1
98.06033	0.6
98.97556	0.7
99.04447	0.7
100.07607	0.9
105.07033	0.6
106.06527	0.5
107.04890	0.4
107.08591	0.9
108.08124	0.8
109.06503	1.3
110.09663	0.8
111.04517	0.4
111.08086	5.7
115.07544	1.7
116.98626	0.5
117.06992	0.5
119.08584	0.8
120.08090	1.6
122.09668	2.6
123.08066	1.4
124.07578	0.4
124.11170	0.5
125.06005	1.2
125.09627	0.9
126.09120	0.6
127.07545	0.9
132.08087	0.4
134.09659	2.9
135.08037	1.2
136.11221	4.2
138.09103	0.8
139.07526	0.5
141.09091	1.2
142.08601	0.5
143.07025	2.7
146.09567	0.4
147.04332	0.4
148.04770	0.6
148.07573	0.8
148.11311	0.4
150.09137	3.7
152.10710	1.2
153.09126	1.3
154.12282	0.4
155.06967	0.4
156.10257	0.5
160.11198	0.7
161.08116	3.2
162.09140	2.0
162.12776	0.9
164.07053	0.9
164.10739	0.5
164.14308	0.9
165.00499	0.5
166.08521	0.5
168.10240	2.5
170.11639	0.3
171.10283	0.4
172.11229	0.4
174.12682	0.3
178.12296	0.8
179.03354	0.8
180.03119	0.4
180.10205	0.8
182.04649	0.5
182.11769	7.5
184.09749	0.5
188.10677	0.5
190.12233	1.5
192.10107	0.5
193.00000	1.1
196.09785	0.4
198.11162	0.4
200.05861	0.3
202.12163	0.3
204.13873	0.3
206.11717	0.7
208.13321	4.6
211.00943	0.8
218.11746	1.1
226.03639	2.3
232.13129	0.3
234.14905	1.7
236.12762	0.4
236.16266	0.4
244.04793	1.4
244.96498	1.4
248.12808	0.6
248.16458	0.9
251.89095	0.3
252.15817	0.9
254.13953	0.4
258.14868	0.9
262.18240	0.3
262.97440	2.3
266.17447	0.5
268.07678	0.4
270.16937	1.9
270.97977	0.4
274.97372	0.4
276.15955	1.3
286.14349	0.3
288.99023	0.6
294.16998	2.1
294.19855	0.4
304.15396	1.3
314.17703	0.4
316.98254	0.4
322.05713	0.4
322.16412	4.9
322.20126	9.9
323.20343	0.8
334.99374	0.4
340.06940	1.2
340.17438	31.5
340.21176	100.0
341.12152	1.8
341.17749	2.0
341.21497	6.8
358.99637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
60.23838	0.4
61.02916	0.5
63.98827	0.3
67.05488	0.4
69.03429	12.9
69.03806	0.9
70.06597	5.1
70.51970	0.9
71.04993	1.0
79.01887	0.3
79.05508	0.7
79.64405	0.4
81.03417	0.8
81.07056	1.3
86.15832	0.4
87.00830	2.3
93.07024	0.9
94.06555	0.9
95.04991	0.5
95.08617	1.0
96.08128	1.4
97.02905	1.7
99.04446	0.5
100.56462	0.3
105.01883	3.5
105.07010	0.6
107.93725	0.3
109.02874	0.9
109.08655	0.3
110.09708	2.2
111.08084	61.5
112.08430	1.4
119.08562	0.5
122.09679	1.1
127.03902	2.5
139.07565	0.9
140.10687	0.7
143.08502	0.4
145.04959	2.0
150.09189	0.9
168.10246	0.5
180.13852	1.2
184.13387	0.8
188.14235	0.5
196.13261	0.5
201.30069	0.4
201.32076	0.4
204.13878	0.4
206.15421	11.1
207.15706	0.6
208.13290	2.9
215.82141	0.4
216.13725	0.7
218.11720	0.7
231.04997	1.1
234.14890	67.3
235.15231	2.5
248.16562	1.2
249.06015	1.1
262.17984	1.2
268.58163	0.4
280.19135	1.2
290.17627	0.5
294.20648	3.6
308.18567	18.4
309.18866	0.7
322.20126	63.5
323.20419	3.4
340.21185	100.0
341.21512	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	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.4
55.05256	2.3
55.05508	30.3
56.05848	5.3
57.03432	10.8
57.07080	4.8
58.03769	2.9
58.12037	1.6
67.05502	62.5
68.05849	8.8
69.03427	6.3
69.06187	1.9
69.07062	18.2
69.68205	3.1
69.68533	2.9
70.06586	2.7
70.07396	4.4
71.05000	2.5
79.05499	20.9
81.03428	2.6
81.07058	63.4
82.07396	10.4
83.04983	53.0
83.08612	5.6
84.08951	2.6
85.06539	10.3
86.06076	2.0
91.05479	36.7
92.54364	1.5
93.07044	28.7
94.07343	1.6
95.04968	6.8
95.08612	17.5
96.08945	6.3
97.06531	6.3
97.10180	2.2
98.23514	1.9
99.08053	1.9
99.34513	1.5
105.07033	37.2
106.07400	1.9
107.04939	3.3
107.08592	36.4
108.08939	2.9
109.06525	6.4
109.10156	59.2
110.10511	2.6
111.04428	1.6
111.08088	4.8
117.07012	2.7
119.08578	6.0
121.06481	2.8
121.10163	6.5
123.08063	3.8
123.11700	17.2
124.12003	2.3
125.09650	2.0
131.08580	6.8
133.06519	1.9
133.10124	98.9
134.10471	3.7
135.08025	3.9
135.11705	2.5
137.09575	2.7
141.09142	2.6
143.08571	1.8
145.10065	1.8
147.11664	3.9
149.09599	4.0
151.11182	100.0
152.11540	5.1
161.09644	3.1
163.11066	1.9
169.12341	1.6
175.11275	1.9
177.09076	5.5
179.10678	13.0
183.13802	31.9
198.70735	1.5
211.13254	3.5
234.14966	3.9
245.19078	2.9
248.16367	2.0
255.17264	2.6
259.22116	1.6
263.20126	2.3
273.18536	7.5
291.19540	7.8
305.21155	7.5
322.19968	5.6
340.21396	13.9
340.28323	36.3
340.39441	4.4
341.20685	15.8
341.26712	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	340.2846
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
55.05487	0.6
56.05035	16.9
58.06603	5.4
67.05502	1.6
69.07087	0.6
70.06593	4.1
71.07361	1.3
71.45481	0.7
72.08145	1.9
74.22826	0.5
81.07063	1.2
82.06566	1.4
84.08144	32.0
86.06065	12.8
88.07629	18.7
95.08585	1.5
98.97569	2.1
102.09167	2.2
109.10159	0.6
111.08043	1.7
116.98666	1.0
132.58940	0.6
134.99670	0.7
135.81581	0.5
137.01167	0.6
137.05989	1.2
161.97974	0.6
181.11598	0.7
189.05214	4.3
234.14848	2.7
242.15500	0.8
248.16386	0.9
275.97852	1.8
276.97198	0.6
293.98904	0.8
322.20309	2.8
322.27371	1.8
340.21121	7.4
340.28455	100.0
341.28766	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	340.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08017	1.1
55.01872	1.5
55.05515	8.4
57.07077	1.6
62.06096	100.0
67.05162	1.3
67.05507	16.2
69.03423	1.8
69.07068	12.0
69.60519	1.2
71.08631	1.7
72.85985	1.0
73.44228	1.3
74.25306	1.0
79.05503	11.5
81.07065	15.5
81.16808	1.3
83.08616	5.0
88.17389	1.1
91.05476	3.7
93.07060	9.3
93.91276	1.2
95.04966	1.4
95.08604	8.1
97.06536	1.8
97.10155	4.1
98.23429	2.6
98.97569	3.0
101.45045	1.2
105.07033	3.0
107.08608	6.9
109.10182	7.0
111.08070	3.3
114.93539	1.2
116.98592	1.5
117.07045	2.0
119.08575	2.5
121.10154	3.7
123.11710	2.7
124.11228	4.7
126.42664	1.3
131.08554	2.2
133.10127	2.6
135.11682	3.8
137.13240	2.1
147.11696	1.8
149.02431	1.6
149.13257	1.7
169.07982	1.3
173.13370	1.5
193.04994	1.8
194.05281	1.4
196.13351	13.3
214.12430	2.0
214.14371	14.8
234.14987	2.5
242.21069	2.2
261.22192	1.8
275.97653	3.1
279.23227	2.5
293.99008	1.4
308.18683	2.5
317.19168	1.4
322.20377	1.8
322.27414	38.7
323.25391	7.4
335.20648	1.5
339.77798	5.0
340.20313	5.5
340.28418	41.8
341.20920	1.7
341.28864	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	340.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
57.07078	2.0
59.87639	1.5
62.06094	100.0
64.12702	1.6
67.05508	13.7
69.07069	6.1
70.06602	1.8
71.07722	2.3
71.08328	1.9
71.08641	18.5
74.90310	1.7
79.05498	4.8
81.07061	22.0
83.08602	4.0
91.05484	5.7
93.07046	8.2
94.72856	1.5
95.08619	15.3
97.06534	2.2
98.06048	2.0
98.97588	2.5
99.08089	12.0
105.07035	3.7
107.08606	5.9
109.10173	4.5
111.08094	4.2
116.98621	1.8
117.07006	1.5
119.08584	4.5
121.10152	3.9
123.11660	2.7
125.09697	1.7
131.08514	2.8
133.10138	4.0
135.11696	3.1
145.10086	2.4
147.11693	6.9
149.13304	2.3
165.12753	2.4
181.15862	1.6
224.20100	6.3
234.15025	3.3
242.21147	8.7
243.21060	2.3
261.22104	1.7
275.97894	2.9
279.23294	4.1
299.18347	1.6
308.18509	2.0
317.19653	2.3
322.27417	73.7
322.31232	3.8
323.25052	2.1
323.27826	5.5
340.18997	12.1
340.28436	32.5
341.21240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01867	0.8
55.05495	2.1
65.03915	0.8
66.04749	0.7
69.03419	2.3
69.07044	0.8
69.43802	2.6
70.06571	1.1
71.05003	4.2
79.05503	1.5
81.07037	2.0
83.08589	1.2
84.59216	0.6
86.09712	1.7
91.05451	4.3
93.03441	1.3
94.04173	2.9
95.04939	0.9
97.02909	1.7
98.23474	1.3
100.11252	1.6
103.05460	1.8
105.07024	1.5
107.04975	1.9
109.06495	3.7
111.04437	1.7
111.08064	9.1
112.08415	1.7
113.64880	0.9
115.05481	1.4
117.07059	1.3
119.04936	3.4
119.08547	0.8
121.06491	1.0
122.03654	7.8
125.05979	0.9
128.06210	1.7
129.06993	5.8
131.04903	3.3
131.08549	1.7
133.02834	5.4
133.06505	1.1
137.05975	100.0
138.06329	2.7
141.06966	1.0
143.04933	2.6
143.08557	0.9
144.05696	3.8
145.06496	2.9
146.07216	1.2
147.04422	1.3
149.05940	3.6
151.03914	2.9
151.07529	5.0
153.05473	0.9
157.06505	5.0
158.07263	1.1
159.08107	1.1
160.05219	5.0
161.05949	4.0
162.06750	1.1
163.07581	2.7
165.05511	5.3
167.07008	1.1
168.05714	1.3
171.08063	1.2
172.05154	4.8
174.06795	6.0
175.07544	22.5
177.05449	5.2
177.09129	2.9
179.07033	2.9
182.11769	1.1
187.07535	32.0
188.07919	1.7
189.07396	1.5
189.09096	11.8
190.07831	1.2
190.09467	0.9
191.07036	0.9
191.08557	3.4
194.07338	1.0
196.05162	5.4
197.05977	1.5
199.07541	3.8
202.07776	3.8
203.08548	13.3
205.06601	1.7
205.08379	1.4
206.15457	1.2
207.49005	0.8
208.08875	0.9
209.05666	0.9
210.14949	1.1
211.07545	18.8
212.07741	1.0
213.05457	2.3
217.08562	12.4
218.07323	1.1
219.08058	9.2
220.08884	6.8
221.09523	1.1
225.05368	1.2
225.08990	0.9
227.07094	5.9
228.07790	1.6
230.07249	0.9
231.08044	16.1
232.08775	3.3
233.05939	2.2
233.09610	1.7
234.06720	0.8
234.14899	5.9
235.07559	2.7
235.15253	6.6
236.08290	1.6
237.09042	1.8
239.07019	14.5
240.07779	9.4
241.04973	1.5
241.08540	1.8
247.07564	7.0
248.08304	21.0
249.08917	3.2
250.06267	1.4
251.10622	5.3
252.11279	0.8
253.08653	2.1
253.11986	1.1
254.09352	1.5
255.06525	7.3
256.07285	6.3
259.07501	8.0
260.08243	2.9
261.09097	2.7
262.09973	1.1
263.07257	1.3
263.10666	21.7
264.07785	3.4
264.10916	1.2
265.08463	4.7
266.08975	1.1
268.07214	3.6
270.08847	12.2
271.09644	40.4
272.09952	2.0
276.07849	12.1
277.08569	5.1
279.10120	10.2
280.10840	1.5
281.08392	1.4
281.11798	1.4
283.09671	8.3
291.10141	52.1
292.10602	5.4
293.08105	5.1
296.10382	6.2
297.11118	3.0
305.11737	1.7
307.09457	1.1
308.10495	6.3
308.18326	1.4
309.11179	2.6
309.18900	2.1
311.12802	13.3
312.13196	1.4
313.14288	2.9
322.20074	4.9
323.12769	33.5
323.20480	7.4
324.13025	2.7
340.21213	5.5
341.13846	28.3
341.21521	12.7
342.13156	13.5
342.17065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Obovaten
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	3.8
64.53048	1.0
65.03918	1.4
68.05968	1.0
69.03429	11.4
70.06594	50.2
71.04999	1.7
71.06919	2.7
73.02918	1.3
77.03936	1.3
78.04710	3.2
79.05490	12.8
81.03446	1.3
81.07064	2.6
85.02905	17.8
90.96519	1.0
91.05479	10.4
93.07038	1.7
94.04200	2.0
95.04978	6.2
97.02867	4.6
98.06036	3.5
99.04447	2.8
100.11191	1.3
102.04655	1.4
103.03975	1.3
103.05462	3.8
105.07025	17.2
106.04153	1.5
107.04955	25.9
109.06551	2.2
111.04452	2.1
111.08083	20.9
112.08391	5.9
114.09123	1.6
115.05462	6.8
116.06249	1.7
117.03354	1.9
117.07033	2.2
118.04147	1.4
119.04955	6.4
121.06527	1.7
122.03648	4.5
123.04417	5.0
124.05228	5.4
125.05975	1.8
126.05518	2.9
127.03922	11.5
127.05426	1.2
128.06250	9.0
129.07002	48.5
130.04146	3.2
130.07375	1.3
131.04930	7.3
131.08574	3.5
132.58920	5.2
133.02861	3.8
133.06517	13.9
135.04407	5.2
136.05190	1.8
137.05972	49.0
141.06992	3.3
143.04990	1.4
143.06044	3.2
144.05705	8.7
145.04968	12.1
145.06464	4.9
147.04407	8.7
147.07965	2.1
149.05981	6.1
150.06734	10.4
151.03920	2.2
151.07585	5.9
152.04652	4.0
153.05460	9.9
153.06607	1.4
155.04909	11.1
155.06039	2.9
156.05685	2.7
157.06459	3.1
159.04396	2.3
159.08064	23.9
161.05977	32.6
161.07330	1.7
161.09644	2.9
162.06758	11.3
162.12758	1.3
163.03918	1.4
163.06018	3.1
163.07428	1.8
165.05615	1.9
165.06998	3.9
167.07047	61.7
167.08463	3.2
168.07425	2.1
169.06471	2.5
171.04407	1.7
172.05190	4.3
173.05934	1.4
174.06784	2.3
175.07539	12.8
177.09128	2.5
178.07765	13.9
179.07043	4.1
179.08488	2.9
181.06526	2.1
181.08624	1.8
181.11572	2.1
187.03940	4.2
187.07541	80.2
188.07968	4.2
189.07089	10.3
189.08952	10.2
190.07861	6.9
190.09302	1.4
191.07010	1.7
191.08545	11.6
192.09377	3.0
193.10103	7.1
195.08038	3.9
195.11340	5.7
199.07520	1.8
201.07043	1.3
201.09157	2.0
202.07802	12.4
203.08545	19.9
204.09123	1.5
205.06465	12.5
206.07272	22.0
206.15335	1.2
207.08000	6.0
207.15785	2.4
209.09457	1.2
211.07544	4.6
212.08115	1.3
213.07066	1.2
213.09064	1.4
217.06494	6.4
217.08606	4.9
218.07271	4.1
219.08009	14.7
220.08835	8.2
221.06091	1.4
221.09616	26.4
222.06818	1.5
222.09984	2.5
223.07599	9.0
227.07024	1.4
230.07298	2.0
231.08029	17.4
232.08684	2.4
233.05954	5.1
234.06735	22.1
234.14827	11.9
235.07526	12.5
235.11311	1.2
235.15227	16.4
236.08121	2.1
237.09032	4.0
238.09839	3.4
239.07011	4.0
239.10480	1.3
240.07813	2.3
241.88913	1.3
243.63794	2.1
245.05920	4.6
246.06638	1.3
247.07553	8.0
248.08307	14.2
249.09090	39.4
250.09805	5.1
251.07031	15.9
251.10776	2.6
252.07790	2.9
253.12357	1.9
255.06468	1.2
259.07605	4.9
260.08356	2.2
261.05493	1.8
261.08987	1.3
262.06213	5.0
263.06973	4.3
263.10629	6.2
264.07846	2.7
265.08521	9.3
266.09366	11.7
267.09949	2.5
268.07233	1.3
270.08826	2.3
271.09665	5.8
276.07797	4.9
277.08600	25.8
278.05542	1.1
278.09222	4.8
279.06549	8.9
279.10080	6.2
280.07224	1.7
280.10812	2.7
281.11713	73.3
282.09210	1.4
282.12015	5.5
283.09662	5.5
291.06763	2.2
291.10110	16.5
292.10864	2.0
292.16669	1.8
293.08109	7.1
294.08820	11.8
295.09668	8.9
296.10315	2.5
297.11246	2.0
298.17807	2.7
308.10410	2.3
308.18561	1.5
309.11200	87.4
309.18539	5.3
310.11783	13.1
311.09103	10.8
311.12698	3.9
311.18478	1.2
312.09763	2.6
313.14139	2.8
322.20099	7.9
323.09286	2.3
323.12759	8.6
323.20453	20.2
325.10339	1.5
326.11520	8.1
340.21207	11.2
340.24887	2.2
341.13828	100.0
341.21616	33.8
342.13858	4.9
342.16922	10.8
342.20819	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	341.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90225	0.3
55.05504	0.7
55.38794	0.2
57.07082	0.4
62.98267	6.3
66.83529	0.3
67.05489	0.4
69.07052	0.6
69.95689	0.8
69.96064	0.4
71.08614	0.5
72.08131	0.4
79.05482	0.5
81.07053	0.6
82.01714	0.3
85.02904	1.0
85.10143	0.3
95.08611	0.5
127.03899	0.6
137.98622	0.3
144.57707	0.2
145.04991	0.3
159.49316	0.3
188.71292	0.3
277.21686	0.7
323.25684	0.3
341.20642	100.0
342.16791	0.5
342.20963	6.5
342.37369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.03438	0.8
57.07064	1.1
67.05494	1.7
69.07068	1.6
70.07401	0.9
75.39507	0.8
81.07045	1.2
83.08571	1.2
84.08981	0.7
95.08589	1.7
97.73319	0.6
115.73286	0.7
117.28613	0.7
168.68158	0.8
283.26303	1.8
340.29117	2.1
340.39340	1.3
341.20615	100.0
341.26208	3.5
342.20883	6.0
342.37283	6.9
345.70801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61829	0.7
53.03964	1.0
54.50805	0.7
55.05498	1.9
57.07070	1.5
58.57906	0.7
61.02890	0.7
62.98261	14.8
67.05494	2.1
69.03432	1.4
69.07047	1.4
70.06583	0.8
71.04981	1.0
71.08634	0.9
72.46805	0.7
79.05486	2.7
79.60411	0.8
81.03409	0.9
81.07076	4.1
81.54601	0.8
83.04974	1.1
83.08602	1.5
85.02919	4.3
91.05466	2.9
93.07040	3.1
95.08595	2.3
97.02894	1.2
97.06547	1.2
105.07056	2.7
107.08603	2.5
109.10143	1.3
111.08111	1.1
117.07012	1.3
119.08586	2.9
121.10137	2.7
123.11807	0.7
125.09650	0.9
127.03919	2.7
129.06938	0.8
131.08534	2.4
133.10152	1.3
135.11696	1.4
137.09595	1.4
145.04930	2.3
145.10107	1.0
147.08037	0.9
147.11681	1.0
159.11671	0.8
163.11154	1.1
173.13249	0.9
209.11755	0.8
319.21194	2.8
323.19522	10.1
337.22266	2.3
341.20633	100.0
342.20898	5.9
342.37503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.2
57.03436	8.6
60.57343	0.7
61.02918	3.6
69.03429	31.6
71.00601	0.6
71.01367	0.7
71.04989	1.4
72.08150	0.9
73.02922	5.4
81.03424	4.1
83.01310	0.8
84.08143	2.2
85.02902	100.0
85.08477	0.9
86.03239	2.2
86.09702	2.4
87.04488	1.5
88.03997	1.2
97.02892	22.6
99.04455	9.4
101.02395	4.7
103.03916	0.8
109.02860	5.2
115.03943	3.9
122.19396	0.6
127.03914	68.1
128.04268	1.6
132.10222	2.1
135.04529	0.6
140.57880	0.6
145.04956	71.6
146.05289	1.8
151.03801	1.0
163.06015	19.9
163.07304	1.3
180.08716	1.7
214.86276	0.6
217.06989	1.0
220.13278	0.8
221.13644	2.9
223.06062	2.0
229.07109	1.1
235.06168	0.8
247.08141	1.8
253.07065	1.7
259.08206	1.0
271.08051	2.9
289.09186	4.0
325.11157	3.0
342.15512	1.7
342.19150	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	342.1914
Annotation	3'-Acetylindicine
Peak:m/z	Relative Intensity
50.84864	0.5
55.01863	1.7
55.05501	1.5
56.05030	0.8
56.96552	2.5
57.03416	1.3
60.47778	0.6
61.02905	0.9
67.05497	2.9
68.05020	1.3
69.03432	6.3
70.06600	2.9
71.04988	6.5
72.37057	0.5
73.02901	0.7
79.05477	1.6
80.05019	18.0
81.03400	1.7
81.07051	2.8
82.06584	1.0
83.04974	1.0
84.08142	1.1
85.02908	13.8
85.06564	0.6
86.06052	0.7
87.00836	0.9
91.05492	1.6
93.07042	2.7
94.06567	2.2
95.04970	35.2
95.08601	5.9
96.08133	2.5
97.02895	4.8
97.06510	1.2
98.06071	3.4
98.97582	4.1
99.04436	3.1
101.02384	0.7
101.06033	0.6
105.01847	1.7
105.07027	1.5
106.06570	0.8
107.08567	0.6
108.08162	0.7
109.02853	1.4
109.06518	2.6
110.05988	0.9
111.04442	1.0
111.08079	4.9
116.07083	1.1
116.98616	2.2
117.06978	0.9
119.07251	0.6
119.08570	1.6
120.08089	2.3
121.06492	2.0
121.10127	0.6
122.09679	1.2
123.04385	0.8
127.03909	8.7
127.07547	1.5
131.08588	0.9
133.10138	0.9
134.09624	1.7
137.02463	0.6
138.09137	17.2
139.03900	0.9
139.07541	1.3
140.10704	0.9
141.05478	0.7
145.04962	7.7
145.10101	0.6
146.09589	0.8
146.99583	0.9
148.07550	5.0
150.09137	1.4
152.10712	1.5
155.07104	1.1
156.10204	10.4
158.99680	0.6
162.05171	0.7
162.09128	1.2
163.03928	0.7
163.06012	1.6
163.11111	0.8
164.10715	1.5
166.08658	1.3
168.10173	0.7
174.97795	0.7
175.11203	0.8
180.06294	1.9
180.10199	0.9
180.13815	2.2
180.97859	0.9
181.04997	1.3
182.11809	1.1
184.09691	22.8
185.09851	0.9
190.12289	1.5
192.10159	0.7
192.13840	2.3
202.12257	1.4
204.13918	0.8
205.12277	1.1
208.13338	5.6
208.17001	0.8
218.11885	0.8
220.13338	3.2
222.14911	1.2
227.00952	0.8
232.17003	0.8
236.16441	5.5
238.14458	2.8
241.87685	0.6
245.06573	0.6
250.14339	3.4
250.17947	2.3
254.17580	0.7
256.15445	0.9
258.99573	0.7
260.16443	4.0
273.01340	2.2
277.00787	0.8
278.17505	31.4
278.96671	0.9
279.17865	1.3
288.15894	1.5
289.09225	0.8
296.18585	15.0
306.16916	2.4
314.19629	1.3
318.97781	0.5
319.01938	1.9
324.14502	0.6
324.18011	16.4
325.18329	0.9
342.11646	10.6
342.19095	100.0
343.06821	3.8
343.10196	1.5
343.19421	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	53.7
67.05502	39.3
69.07056	33.0
70.27370	41.4
79.05487	53.4
79.12109	15.1
81.03423	26.2
83.08625	28.5
85.99473	18.5
91.05516	19.0
93.07047	23.4
95.04947	42.9
97.06541	35.5
97.10188	40.1
98.97605	55.7
105.07093	34.2
107.04982	20.9
107.08584	27.7
116.98596	49.6
119.08614	21.0
121.02888	35.4
125.09567	29.5
129.06912	23.2
145.10077	18.1
147.11659	33.8
159.08051	77.9
163.07518	27.1
178.11903	19.4
184.40317	20.0
185.09547	17.2
189.11237	38.8
221.11745	22.7
237.24086	17.0
253.15854	22.9
269.40912	18.9
289.17987	43.4
295.96249	30.0
309.35181	18.8
342.26160	100.0
342.29623	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01866	1.5
55.05498	1.4
56.05038	0.5
57.03431	0.9
59.05003	0.6
67.05495	1.1
69.03420	0.9
69.07053	0.5
70.06605	2.3
70.59355	0.7
70.82972	0.3
79.05499	2.3
80.05009	1.0
81.07047	1.3
82.06580	0.5
83.04960	0.5
84.08129	1.0
85.06554	0.5
86.09710	0.4
91.05476	1.2
93.07036	1.3
94.06575	1.8
95.04955	0.6
95.08597	1.2
96.08133	1.1
97.06519	1.3
98.23363	0.3
105.07035	1.2
106.06548	0.8
107.08583	1.6
108.08122	2.3
110.09685	1.5
112.07614	0.5
114.09143	0.4
119.08571	0.5
120.08095	1.0
122.09673	2.4
123.08023	0.5
124.11233	0.9
125.05993	1.6
125.09652	0.8
126.09143	0.4
131.08589	0.5
132.08096	1.9
134.09645	2.6
135.10410	0.6
136.11243	2.5
138.09171	0.5
140.10742	0.7
146.09631	1.8
148.11198	1.5
150.09094	2.3
150.12753	0.6
152.10709	1.0
157.80023	0.3
158.09659	0.5
160.11224	3.7
162.09167	0.6
162.12770	3.5
164.10713	0.8
166.12366	0.4
166.14134	0.3
174.12881	0.5
174.93628	0.4
176.10701	0.5
178.12262	4.0
182.11633	0.7
186.12720	1.1
188.10677	0.5
188.14322	0.5
190.12225	0.5
192.13823	0.9
194.11780	0.6
196.13307	2.8
200.14401	0.4
202.12251	0.5
206.15463	0.5
208.13368	0.4
210.14931	0.4
214.14381	1.4
216.13805	0.8
218.15419	1.0
234.14890	1.2
236.16444	8.0
237.16891	0.4
248.16457	2.7
250.17982	0.8
264.15918	1.3
266.17545	2.5
280.19012	0.7
284.18698	0.7
292.19104	1.6
298.17645	0.9
298.20529	0.6
306.20663	1.2
310.20099	4.1
324.21680	16.2
325.22034	1.6
342.22739	100.0
343.23077	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78920	0.4
55.01867	0.7
55.05505	1.4
56.05022	0.9
57.03440	0.7
57.98864	0.3
59.04998	0.6
61.27571	0.3
64.44587	0.4
65.03925	0.4
67.05511	1.7
69.03446	2.2
69.07062	0.6
70.06596	4.4
71.04997	1.9
79.05494	1.7
80.05020	1.6
81.03427	0.6
81.07059	2.0
82.06588	1.1
83.04989	0.5
84.04547	0.5
84.08144	1.4
85.02894	1.0
85.06539	0.8
86.09692	1.7
91.05476	1.0
93.04127	0.4
93.07049	1.5
94.06573	1.9
95.04929	1.3
95.08617	1.2
96.08139	1.9
97.02901	1.3
97.06547	0.5
97.08919	0.5
99.04470	1.2
102.05566	0.4
105.07049	0.9
107.08586	0.8
108.08132	0.5
109.41688	0.4
110.07175	0.5
110.09677	2.0
111.08097	2.9
112.07605	1.3
112.08433	1.5
112.11244	0.6
114.09182	0.6
115.07607	0.5
116.07104	0.8
117.06996	0.9
119.08625	0.5
120.08105	1.6
121.10201	0.6
122.06098	0.4
122.09671	1.8
123.04493	0.5
123.08049	0.5
124.07590	0.8
124.11255	2.7
125.06017	1.8
125.09676	0.6
126.09239	0.6
127.03934	0.6
129.10274	0.7
131.08551	0.6
132.08090	0.7
134.09648	4.1
134.10582	0.5
135.10454	0.9
136.11217	4.9
137.11993	0.5
138.09201	1.0
141.09091	1.1
145.10112	0.4
146.09644	1.4
147.10497	0.6
147.11710	0.3
148.11221	3.0
149.12100	0.4
150.09155	1.4
150.12770	1.1
152.10672	0.7
154.78201	0.4
160.11232	3.8
162.09138	0.7
162.12767	11.0
163.03896	0.6
163.09663	0.4
164.10777	0.7
164.14418	0.5
168.10176	0.6
174.12843	0.7
178.12294	2.5
181.04993	0.9
182.11781	0.6
186.12831	0.6
190.12300	0.6
190.15916	1.2
192.13824	2.6
196.13388	0.6
200.14221	0.7
202.12341	0.6
208.13309	0.5
210.14952	0.6
216.13910	0.6
218.15424	1.5
229.15700	0.4
234.14893	2.1
235.15240	1.7
236.16498	14.3
237.16835	0.9
248.16415	4.6
249.16782	0.6
250.18092	3.6
262.17935	0.7
265.08551	0.4
266.17575	1.1
268.18900	1.2
278.17563	1.2
278.20859	0.6
280.19086	2.0
287.40900	0.4
292.19165	0.8
296.18658	0.6
298.20169	0.6
306.20688	1.2
310.20096	5.8
311.20560	0.6
324.21582	22.9
325.10596	0.8
325.21924	1.2
325.99435	0.4
334.31628	0.4
342.11130	1.5
342.22708	100.0
343.13980	4.1
343.23135	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.10734	0.6
55.01872	5.8
55.05510	4.2
57.03440	3.8
57.07069	3.6
58.06598	0.9
59.04994	0.8
60.09982	0.7
61.02903	0.9
65.03941	1.1
67.05510	18.0
69.03433	7.3
69.07077	7.0
69.08469	3.3
69.08872	1.7
70.06601	4.9
70.95313	0.7
71.04981	3.9
71.08632	2.1
73.72335	0.7
78.05617	0.9
79.05482	8.5
81.03424	2.0
81.06618	1.4
81.07063	14.3
81.07548	0.6
83.01344	0.9
83.04972	3.8
83.08612	2.0
85.02913	11.0
85.06543	3.0
85.10204	1.6
91.05487	16.5
92.22861	0.8
93.07049	7.6
94.06553	1.3
95.04982	6.0
95.08595	6.3
97.02893	3.0
97.06535	21.0
98.97574	1.5
99.04464	2.8
105.07040	14.2
106.06586	1.0
107.04982	2.0
107.07360	0.8
107.08597	10.3
109.06522	4.1
109.10164	20.7
111.08067	4.3
113.06010	2.2
117.07023	2.1
119.08592	2.6
120.08137	1.4
121.06522	1.3
121.10126	1.6
123.04540	1.0
123.08051	1.2
123.11697	3.3
127.03924	7.2
127.07517	1.3
129.07077	1.2
131.08569	3.2
133.06537	0.7
133.09006	1.4
133.10138	21.3
134.09642	1.2
135.11655	1.2
137.05969	1.2
143.08597	1.5
144.08194	1.0
145.04968	8.9
145.10089	1.1
146.09665	3.9
147.11639	1.1
149.06064	0.8
149.09636	0.9
151.07573	0.9
151.11189	11.1
158.09660	2.9
159.08022	1.3
159.10393	1.0
159.11696	1.0
161.09572	1.3
163.06053	1.9
167.08554	0.9
169.12245	2.2
171.11743	0.9
172.11227	1.4
173.09601	1.5
174.12811	1.8
179.08624	0.8
179.10721	1.9
183.10242	0.9
183.17416	1.6
184.11201	1.5
186.12766	2.6
187.13629	0.9
188.14319	1.7
197.09607	0.8
198.12820	1.3
199.13510	1.0
208.11179	1.1
214.12256	7.4
215.12872	1.7
216.13832	5.4
216.17360	1.1
221.11740	1.9
226.12172	1.3
228.13857	0.8
233.15416	1.5
238.15921	1.0
240.23227	45.3
241.08719	0.7
244.13341	4.8
254.11571	1.0
264.13766	1.1
266.11679	1.7
266.15598	1.8
268.13330	1.1
271.16870	1.2
281.14066	1.5
282.15051	1.3
289.17941	4.8
300.15933	3.6
307.19144	3.2
310.14389	1.8
320.57489	0.8
342.17007	100.0
342.20718	16.0
342.28903	2.7
343.11572	0.9
343.13266	1.1
343.17334	10.0
343.21112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92796	0.3
55.01853	0.5
55.05517	0.8
56.05029	0.7
57.03441	1.8
58.06569	0.3
59.04994	0.6
67.05504	2.5
69.03438	0.5
69.07053	0.5
70.06600	4.0
71.04978	0.8
75.57350	0.3
79.05492	1.2
80.05016	1.1
81.07059	1.5
82.06582	1.4
83.04990	0.4
83.08601	0.3
84.08135	0.5
85.06554	0.8
86.09695	0.5
91.05482	0.9
93.07045	1.0
94.06557	1.5
95.04950	1.6
96.08127	1.8
98.05995	0.3
98.09691	0.4
99.04452	0.7
100.07610	0.4
105.07027	0.7
106.06583	0.5
107.08585	0.5
108.08130	0.4
109.06503	0.9
109.08936	0.6
109.10165	0.7
110.09676	3.7
111.08106	0.6
112.07610	0.4
112.11219	0.7
113.06004	0.8
115.07555	0.7
117.07076	0.4
119.08553	0.6
120.08121	1.2
121.10159	0.4
122.09662	0.9
123.04431	1.8
124.11230	4.2
125.09702	0.4
127.07551	3.7
127.11196	1.0
131.08591	0.3
132.08142	0.4
134.09654	2.3
135.10434	0.4
136.11212	1.6
137.05960	1.5
138.09129	0.8
138.12790	0.7
140.10667	0.4
140.73984	0.3
141.09105	0.8
142.12230	0.7
146.09653	0.6
147.10439	0.5
148.11208	4.0
149.11975	0.6
150.09134	0.4
150.12770	1.0
155.07063	0.4
160.11182	1.9
161.11938	0.3
162.12793	5.1
163.13513	1.2
164.10660	0.4
164.14389	1.8
166.12271	1.8
169.08595	1.1
174.12787	0.7
176.14322	0.5
178.12347	0.5
182.15358	0.9
183.14964	0.7
188.14359	2.5
194.15466	0.4
202.15903	0.5
204.13829	0.4
206.15404	5.5
207.15898	0.4
211.14421	0.4
220.16978	4.2
222.18503	0.8
223.18863	0.3
224.16444	4.3
225.16759	0.4
229.15465	1.2
234.14948	0.3
246.18542	1.0
248.16519	0.5
252.15968	0.5
264.15985	1.5
264.19580	3.8
266.17505	4.3
282.20615	2.1
282.95279	0.3
284.18542	2.6
306.20459	1.9
310.20233	1.6
324.21704	8.9
325.21957	0.5
342.22751	100.0
343.23077	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01866	1.5
55.05498	1.4
56.05038	0.5
57.03431	0.9
59.05003	0.6
67.05495	1.1
69.03420	0.9
69.07053	0.5
70.06605	2.3
70.59355	0.7
70.82972	0.3
79.05499	2.3
80.05009	1.0
81.07047	1.3
82.06580	0.5
83.04960	0.5
84.08129	1.0
85.06554	0.5
86.09710	0.4
91.05476	1.2
93.07036	1.3
94.06575	1.8
95.04955	0.6
95.08597	1.2
96.08133	1.1
97.06519	1.3
98.23363	0.3
105.07035	1.2
106.06548	0.8
107.08583	1.6
108.08122	2.3
110.09685	1.5
112.07614	0.5
114.09143	0.4
119.08571	0.5
120.08095	1.0
122.09673	2.4
123.08023	0.5
124.11233	0.9
125.05993	1.6
125.09652	0.8
126.09143	0.4
131.08589	0.5
132.08096	1.9
134.09645	2.6
135.10410	0.6
136.11243	2.5
138.09171	0.5
140.10742	0.7
146.09631	1.8
148.11198	1.5
150.09094	2.3
150.12753	0.6
152.10709	1.0
157.80023	0.3
158.09659	0.5
160.11224	3.7
162.09167	0.6
162.12770	3.5
164.10713	0.8
166.12366	0.4
166.14134	0.3
174.12881	0.5
174.93628	0.4
176.10701	0.5
178.12262	4.0
182.11633	0.7
186.12720	1.1
188.10677	0.5
188.14322	0.5
190.12225	0.5
192.13823	0.9
194.11780	0.6
196.13307	2.8
200.14401	0.4
202.12251	0.5
206.15463	0.5
208.13368	0.4
210.14931	0.4
214.14381	1.4
216.13805	0.8
218.15419	1.0
234.14890	1.2
236.16444	8.0
237.16891	0.4
248.16457	2.7
250.17982	0.8
264.15918	1.3
266.17545	2.5
280.19012	0.7
284.18698	0.7
292.19104	1.6
298.17645	0.9
298.20529	0.6
306.20663	1.2
310.20099	4.1
324.21680	16.2
325.22034	1.6
342.22739	100.0
343.23077	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.05502	1.0
56.35900	0.3
58.06596	0.5
58.86906	0.3
67.05511	2.6
69.03426	7.7
69.07074	0.6
70.06590	7.6
71.04990	7.3
79.05503	2.1
79.93747	0.3
80.05007	0.8
81.07038	1.6
82.62065	0.4
83.04970	0.7
84.08141	1.7
85.02900	2.3
85.06543	6.9
86.06084	0.5
86.09704	0.7
86.46384	0.4
87.04473	0.6
91.05486	0.7
93.04511	0.4
93.07045	1.5
94.06567	0.8
95.04949	1.0
95.08601	3.3
96.08130	1.2
97.02876	0.8
97.06524	3.4
98.06095	0.4
105.07053	0.8
106.55594	0.3
107.08591	0.9
108.08139	0.4
109.06526	0.4
109.10162	1.5
110.07160	2.6
110.09699	0.8
111.08080	12.4
112.08373	0.5
113.06017	1.0
116.07062	0.6
117.09131	0.4
119.08558	0.7
120.08147	0.4
120.37647	0.3
121.10135	0.4
122.09665	1.1
123.08050	0.8
125.05980	0.5
125.09645	0.9
127.03893	1.0
127.07554	2.9
129.10272	0.4
132.08075	0.4
133.10139	0.4
134.09656	0.7
135.08061	0.3
136.11200	0.4
137.09650	0.7
138.09119	0.8
139.07536	0.4
145.04918	0.7
148.11169	0.4
150.09126	1.0
152.10699	0.8
155.10649	10.7
162.12779	0.8
163.09608	0.5
168.10188	1.0
170.11685	0.5
180.06308	0.8
182.11760	1.5
184.09584	0.4
184.13333	2.6
196.06221	0.4
201.12332	0.4
202.12192	0.6
204.13785	0.5
210.14949	0.4
218.11717	1.3
220.13358	0.8
222.14894	1.1
224.12842	0.5
224.16495	0.6
228.13475	0.6
230.11327	0.5
232.13335	0.5
236.16406	1.6
250.14360	12.8
250.18019	2.1
251.14729	1.0
255.06450	0.4
278.17416	1.7
288.16116	0.6
294.20480	1.0
296.18570	0.8
304.37323	0.4
306.17160	0.8
306.20605	0.6
324.17972	15.3
324.21664	20.5
325.18307	1.3
325.22015	1.2
342.18976	37.8
342.22723	100.0
343.14902	0.3
343.15555	0.5
343.19379	3.0
343.23074	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01866	1.5
55.05498	1.4
56.05038	0.5
57.03431	0.9
59.05003	0.6
67.05495	1.1
69.03420	0.9
69.07053	0.5
70.06605	2.3
70.59355	0.7
70.82972	0.3
79.05499	2.3
80.05009	1.0
81.07047	1.3
82.06580	0.5
83.04960	0.5
84.08129	1.0
85.06554	0.5
86.09710	0.4
91.05476	1.2
93.07036	1.3
94.06575	1.8
95.04955	0.6
95.08597	1.2
96.08133	1.1
97.06519	1.3
98.23363	0.3
105.07035	1.2
106.06548	0.8
107.08583	1.6
108.08122	2.3
110.09685	1.5
112.07614	0.5
114.09143	0.4
119.08571	0.5
120.08095	1.0
122.09673	2.4
123.08023	0.5
124.11233	0.9
125.05993	1.6
125.09652	0.8
126.09143	0.4
131.08589	0.5
132.08096	1.9
134.09645	2.6
135.10410	0.6
136.11243	2.5
138.09171	0.5
140.10742	0.7
146.09631	1.8
148.11198	1.5
150.09094	2.3
150.12753	0.6
152.10709	1.0
157.80023	0.3
158.09659	0.5
160.11224	3.7
162.09167	0.6
162.12770	3.5
164.10713	0.8
166.12366	0.4
166.14134	0.3
174.12881	0.5
174.93628	0.4
176.10701	0.5
178.12262	4.0
182.11633	0.7
186.12720	1.1
188.10677	0.5
188.14322	0.5
190.12225	0.5
192.13823	0.9
194.11780	0.6
196.13307	2.8
200.14401	0.4
202.12251	0.5
206.15463	0.5
208.13368	0.4
210.14931	0.4
214.14381	1.4
216.13805	0.8
218.15419	1.0
234.14890	1.2
236.16444	8.0
237.16891	0.4
248.16457	2.7
250.17982	0.8
264.15918	1.3
266.17545	2.5
280.19012	0.7
284.18698	0.7
292.19104	1.6
298.17645	0.9
298.20529	0.6
306.20663	1.2
310.20099	4.1
324.21680	16.2
325.22034	1.6
342.22739	100.0
343.23077	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	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01866	2.7
55.05513	84.0
57.03446	4.0
57.07055	2.0
59.04996	2.2
67.05505	13.1
69.03447	10.5
69.07076	6.7
69.80652	6.7
71.04983	3.6
79.05499	11.8
81.03426	13.8
81.07055	12.3
83.04983	5.6
83.08623	100.0
85.02913	22.8
90.26523	1.9
91.05491	12.1
93.07023	9.5
95.04971	9.4
95.08617	8.4
97.02900	4.9
97.10234	2.1
98.23476	2.4
98.97575	3.4
100.60303	1.9
105.07048	9.3
107.08617	6.7
109.06512	3.1
109.10185	4.6
111.08086	2.9
116.98688	2.3
117.06962	3.0
119.08588	4.8
121.10162	7.1
125.89166	2.0
127.03919	15.3
131.08562	6.3
133.10179	6.6
134.81403	2.1
135.04407	3.7
137.09663	2.2
145.04948	13.6
147.11763	2.8
148.33824	1.9
149.09605	3.1
157.10150	3.8
163.06061	4.6
173.11772	2.4
173.13197	2.3
175.11182	3.1
193.12195	12.2
195.32959	1.8
202.91806	2.5
211.13301	37.4
223.13286	5.2
240.23373	3.2
247.50624	1.9
275.20081	8.3
293.21149	8.6
342.16974	3.5
342.21011	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28246	1.0
55.01870	7.5
55.05520	7.2
55.55751	1.1
57.03434	6.5
57.07075	9.1
58.01710	1.2
62.06096	3.7
67.05509	17.5
69.03429	16.8
69.07061	4.6
71.05013	1.7
71.08270	1.8
71.08630	22.7
71.46136	1.3
72.08133	1.5
73.02911	2.9
79.05501	7.4
81.03417	6.0
81.07052	18.2
83.04989	2.7
83.08630	3.6
85.02902	43.5
85.06569	1.6
91.05473	7.8
93.07045	8.7
95.04969	5.0
95.08614	10.8
97.02895	9.7
97.06514	2.5
97.10136	1.3
99.04454	5.2
99.08089	18.6
101.02413	2.4
105.07037	8.3
107.08594	10.6
109.06527	2.3
109.10165	13.0
115.03975	1.7
116.10739	4.4
117.07040	2.1
119.08582	3.1
121.06438	1.5
121.10139	4.0
123.08089	2.4
123.11758	3.1
125.09574	2.6
127.03912	33.7
131.08540	2.4
133.10124	17.7
135.08089	1.7
135.11688	2.8
137.09610	4.0
145.04970	32.0
145.10141	3.1
147.11690	1.8
149.09621	2.2
149.13266	2.8
151.11171	15.7
156.17523	2.5
159.11734	2.7
163.06027	6.2
163.11203	2.8
174.18579	5.2
177.12764	5.1
179.10631	2.2
183.13817	3.9
195.12213	1.5
195.13853	4.0
212.23615	1.3
227.16466	1.9
229.14276	1.5
230.24840	4.3
240.23219	3.6
257.18964	1.9
275.20023	15.3
286.31094	2.4
289.09116	1.6
289.21448	1.7
293.21091	5.9
307.22638	8.2
342.16916	1.7
342.20709	1.4
342.37305	100.0
343.11844	2.2
343.37744	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.3
55.01878	17.6
55.05507	44.2
57.03448	29.9
58.25518	5.5
67.05505	94.8
69.03432	28.6
69.07069	55.0
70.71235	6.4
71.04989	7.5
73.06564	13.3
79.05495	70.4
81.03427	14.6
81.06618	9.7
81.07056	100.0
83.04988	9.1
83.08653	13.9
85.02904	74.7
85.06543	4.8
89.57315	5.2
91.05476	66.4
93.07047	88.7
95.04988	21.8
95.08608	59.9
97.02895	18.6
97.06545	34.5
97.10155	6.8
98.09673	4.9
99.04460	9.0
99.08103	6.3
105.04404	5.6
105.07020	78.4
107.08570	41.5
109.06522	10.3
109.10186	27.2
117.07023	24.2
119.08579	60.5
121.06519	7.0
121.10138	41.9
123.08107	13.2
123.11695	11.5
125.09563	5.1
127.03919	52.8
129.07016	7.6
131.08571	39.5
133.10120	52.7
135.04526	5.4
135.08003	7.1
135.11713	26.5
137.09641	9.0
143.08606	8.3
145.04944	52.8
145.10144	30.2
146.20462	5.2
147.11668	30.9
149.09618	13.4
149.13301	9.3
156.16763	5.7
157.10178	11.7
159.11713	30.0
161.13290	19.7
163.11192	16.1
171.11737	8.3
173.11874	7.8
173.13304	18.0
175.43906	5.4
177.12811	10.0
180.08762	5.6
181.12253	20.5
183.11665	9.3
185.13274	15.2
195.13802	13.5
197.13315	6.1
199.14961	6.4
203.14410	8.9
209.28186	4.8
219.17450	9.5
229.19597	6.4
235.17029	10.2
239.17992	10.1
247.20686	5.7
257.19131	14.5
275.20065	65.3
289.21558	14.0
307.22815	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01880	7.3
55.05519	8.9
57.03432	4.9
57.07082	8.5
58.06593	1.6
61.02927	1.8
62.06066	2.1
67.05504	20.1
69.03432	14.6
69.07073	6.5
71.04984	1.8
71.08625	6.4
72.08142	2.2
73.02917	2.7
75.61303	1.1
79.05487	10.0
81.03403	3.2
81.07060	18.6
83.04980	3.5
83.08607	3.8
85.02903	33.6
85.06547	2.8
91.05473	8.4
93.07054	10.2
95.04969	6.3
95.08615	10.0
97.02891	8.7
97.06564	2.2
97.10120	1.4
99.04445	3.3
101.02394	1.8
105.07022	11.9
107.04964	2.8
107.08608	10.4
109.06512	3.4
109.10166	13.3
111.08052	1.8
115.03935	1.2
117.07035	2.3
119.08585	5.0
121.10149	4.9
123.08060	2.2
123.11707	3.6
125.09620	6.2
127.03917	26.7
131.08572	3.8
133.10127	18.6
135.04433	1.4
135.08028	2.1
135.11668	2.6
137.09586	3.7
139.00327	2.4
145.04974	20.3
145.10109	4.0
147.11743	1.5
149.09645	3.4
149.13228	1.5
151.11195	16.6
156.17580	1.5
157.01369	2.5
157.10147	1.9
159.11623	2.3
163.06013	3.2
163.11194	4.4
165.09094	1.5
174.18500	5.8
177.12794	1.9
179.10641	3.3
183.12241	1.0
183.13785	7.1
189.48695	1.1
193.12218	1.5
195.13847	2.6
230.24858	3.4
240.23196	1.5
247.20535	1.9
275.20047	14.3
277.21561	1.2
293.21063	5.3
307.22610	8.9
324.36282	2.0
342.16794	2.0
342.37296	100.0
343.37506	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08345	2.6
53.03937	6.2
55.01872	21.6
55.05514	68.8
57.03435	11.1
57.07070	9.8
58.02949	3.8
60.04523	38.3
67.05503	38.5
69.03423	27.3
69.07066	48.9
71.05005	3.6
71.08607	5.9
71.35962	3.3
72.04520	26.0
73.02897	2.9
73.25085	2.9
74.06083	9.7
75.01933	2.7
77.13757	3.1
79.05489	45.9
81.03400	4.1
81.07057	42.1
83.04984	10.1
83.08632	37.5
85.02906	55.0
86.02424	8.0
86.06091	4.3
89.13932	3.0
90.05557	5.3
91.05489	21.1
93.07058	33.7
95.04988	7.6
95.08622	23.8
96.04511	9.2
97.02910	20.9
97.06531	10.5
97.10168	84.6
99.04445	7.3
100.03985	13.5
102.05529	4.3
105.07028	20.3
107.04967	10.1
107.08598	100.0
109.06509	4.8
109.10173	14.2
110.06045	3.7
111.04462	5.7
111.08092	7.0
112.07664	3.3
114.05566	15.0
117.07025	8.1
119.08555	7.2
121.06545	4.8
121.10152	14.0
123.08051	3.6
123.11710	5.3
124.07617	3.2
125.06013	3.1
125.09632	74.0
126.68909	2.9
127.03924	39.8
131.08568	9.5
132.06557	11.4
133.10136	11.1
135.08063	24.8
135.11668	6.8
137.09570	3.7
145.04950	46.8
145.10126	11.4
147.11711	9.7
149.09666	5.0
153.09102	17.3
157.10194	4.5
157.12291	4.4
159.11739	6.3
161.13353	3.3
163.06023	12.0
174.33626	2.9
177.12695	4.3
185.11697	3.8
203.12773	90.7
204.13072	4.4
223.20638	4.0
229.19524	4.0
236.23872	5.0
239.17851	4.4
247.20604	28.0
253.21570	7.2
257.19034	17.8
264.23224	41.0
265.21487	19.2
275.20053	48.6
276.20303	2.9
282.24258	54.7
289.21634	21.6
289.53693	3.2
306.24353	13.9
307.22617	16.1
308.98013	3.2
324.25311	94.8
325.25595	8.5
342.16971	3.5
342.26300	7.7
346.52277	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.6
55.05512	14.7
57.03444	3.8
57.07083	13.0
58.06586	2.3
61.42189	1.6
62.06092	4.5
67.05508	39.7
69.03439	3.0
69.07053	7.6
69.10992	12.8
71.04984	1.9
71.08620	6.0
77.72295	1.6
79.05494	12.4
81.03407	4.2
81.07063	30.2
83.05000	8.7
83.08630	8.3
85.06535	5.5
85.10199	2.2
85.57611	1.7
91.05479	23.6
93.07054	18.5
95.04968	7.3
95.08611	17.8
97.06532	2.0
97.10180	4.0
99.08127	2.5
103.19812	1.8
105.07037	18.6
107.04968	6.9
107.08596	19.3
109.06516	6.0
109.10168	27.5
111.08060	3.2
113.09602	2.1
117.07005	2.9
119.08578	9.0
121.06519	3.5
121.10140	7.2
123.08028	4.3
123.11686	8.4
125.09609	12.4
131.08565	5.6
133.10135	41.3
135.11682	3.1
137.09621	5.5
145.10103	5.2
149.09650	4.4
151.11185	45.2
154.33699	1.8
159.11731	2.3
163.11166	3.5
165.09142	2.3
174.18550	4.8
177.12788	3.8
179.10704	5.8
183.13811	13.8
191.14322	3.2
195.13792	2.1
201.27637	2.1
211.13219	2.2
229.19633	2.1
230.24811	3.5
239.17940	1.9
240.23268	2.4
247.20483	3.0
257.19037	2.9
275.20111	25.2
283.26337	4.9
293.21057	9.5
307.22757	9.7
342.20828	2.3
342.27051	4.2
342.34143	4.0
342.37311	100.0
343.11874	2.3
343.37808	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	342.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.5
56.05027	3.8
57.07070	3.0
60.04527	100.0
61.04858	1.1
67.05508	9.4
67.39234	1.1
68.05025	1.4
69.07057	6.0
69.76704	3.2
69.77089	2.1
70.06596	3.0
70.19668	1.1
71.08609	1.1
72.04512	3.9
79.05478	3.0
80.05027	1.5
80.94845	1.3
81.07061	12.5
82.06576	2.2
83.08617	4.7
86.06078	1.0
88.07629	62.6
90.05555	1.6
91.05471	4.0
93.07049	4.3
94.06593	1.2
95.04904	1.2
95.08605	10.1
97.06519	1.1
97.10183	1.8
98.23424	1.4
98.97597	4.2
100.07616	1.9
105.07030	3.2
107.08578	1.4
109.10152	3.6
112.07576	1.1
116.98663	2.3
119.08566	2.1
121.10159	2.7
133.10158	1.1
144.10201	1.0
147.11635	1.4
183.89023	1.1
212.78528	1.1
250.25346	2.6
262.25305	2.1
268.26413	1.1
277.43329	1.0
280.26355	21.1
295.96057	2.2
298.27390	23.4
299.27530	1.7
324.28943	3.4
342.30038	44.2
343.11752	6.9
343.30389	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	342.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87329	0.3
55.05517	2.4
57.07076	23.6
58.06591	1.3
60.08145	1.5
62.06093	2.2
67.05511	2.5
68.34418	0.4
69.07070	3.1
69.54424	1.4
71.08632	11.7
72.08143	1.4
73.02921	2.1
81.07055	2.5
83.08627	3.7
85.10175	4.5
86.09687	0.8
87.04447	0.6
93.07046	0.4
95.08596	3.5
97.10168	1.3
98.97540	0.4
109.10158	1.5
113.29127	0.4
156.17491	1.7
162.52376	0.3
174.18544	4.3
212.23721	1.6
230.24782	3.3
240.23256	0.5
283.26303	100.0
284.26633	6.6
324.36191	0.7
342.33572	51.7
342.37323	85.3
343.33914	6.0
343.37668	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	343.1236
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
53.03938	1.5
55.01874	11.4
57.03442	9.9
61.02932	6.1
69.03429	38.6
70.03770	2.2
70.06593	1.8
70.57210	2.2
71.04992	2.1
72.08182	1.1
73.02903	5.9
81.03408	4.5
85.02905	100.0
86.03239	5.3
88.84441	1.1
93.91918	1.3
97.02895	37.3
98.03237	2.1
99.04449	8.3
101.02367	5.6
101.87598	1.1
103.03936	1.6
109.02853	6.7
115.03937	3.2
123.69132	1.2
127.03918	66.8
128.04256	5.7
145.04962	52.9
146.05338	5.2
163.06006	9.3
164.06439	1.5
171.10905	1.3
234.06099	1.1
283.12769	1.8
342.19055	1.9
343.15900	2.2
343.19437	8.2
369.75244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18370	1.3
51.15370	1.4
53.03943	1.9
54.01881	1.4
55.01875	12.2
56.96569	3.5
57.03436	10.2
61.02931	5.1
69.03429	41.7
70.03773	2.0
71.05000	3.5
71.24599	2.0
72.08159	3.4
73.02917	6.8
76.50426	1.3
80.05034	1.8
80.26916	1.3
81.03429	4.3
85.02905	100.0
86.03233	5.8
86.34519	1.4
97.02890	34.7
98.03229	3.2
98.97588	3.1
99.04456	9.0
101.02399	6.8
109.02871	8.7
111.08055	1.8
115.03945	4.0
116.98673	1.5
117.09185	1.5
127.03915	73.4
128.04259	6.6
129.05444	3.5
130.93402	1.6
136.07584	2.1
145.04959	47.4
146.05322	4.3
163.06026	11.2
165.07599	1.6
173.01308	2.0
177.00897	7.2
182.08167	2.3
219.01999	14.3
228.94151	2.7
229.00397	2.0
229.04105	2.4
232.96706	1.5
245.03598	4.2
246.95297	2.8
246.99750	2.4
247.05171	4.6
271.05099	3.5
273.01120	2.4
301.02689	1.9
319.01453	2.0
325.02066	1.8
342.18939	3.8
343.03665	10.2
343.19519	11.3
344.08923	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74067	0.7
53.03946	2.3
55.01880	3.4
55.05298	0.5
55.05514	6.6
57.03442	4.0
57.07072	1.7
58.06577	0.6
58.99574	0.6
59.04992	0.8
61.02932	4.4
62.61311	0.6
65.03925	1.0
65.77167	0.6
67.05507	3.6
69.03066	1.0
69.03432	20.0
69.07061	2.5
70.06593	3.3
70.69595	1.0
71.01353	1.1
71.04993	2.9
71.67427	0.6
73.02916	1.9
73.13970	0.5
77.03905	0.9
79.05492	5.6
80.77073	0.7
81.03418	13.2
81.07054	9.5
83.01291	0.6
83.04977	8.4
85.02907	39.6
85.06512	2.5
86.03223	1.0
86.09753	0.8
87.04466	5.4
91.03953	2.6
91.05480	5.4
93.06525	0.9
93.07047	11.5
95.04967	19.3
95.08597	2.5
96.05326	0.9
97.02897	10.9
97.06520	6.1
99.04439	3.8
103.03917	1.2
103.05457	1.4
105.07036	8.2
107.04971	1.1
107.08596	9.8
109.02884	6.2
109.06525	3.3
109.10136	0.8
111.04459	6.6
111.08103	0.7
115.03931	5.4
116.07088	1.5
117.07014	3.4
119.08579	6.4
121.06505	5.8
121.10146	11.6
123.04467	1.0
123.08062	1.6
125.05991	13.2
126.03744	10.8
126.05502	0.7
127.03911	12.9
130.07791	2.7
133.06430	1.2
133.10117	1.1
135.08060	1.4
135.11697	8.3
136.02190	0.7
137.05948	1.6
137.09550	0.6
139.07489	0.7
143.08557	1.6
145.04950	9.1
145.06175	0.6
145.06551	0.5
145.10130	18.3
146.10471	1.2
147.08040	2.9
148.08885	0.8
149.05951	0.8
151.07567	0.9
154.03206	10.5
155.03410	0.6
156.04811	0.7
161.09586	1.7
163.11179	100.0
164.11557	3.7
165.09093	3.0
165.12643	0.6
167.07097	1.1
170.14354	0.6
172.04274	2.9
173.04417	0.7
175.07547	1.2
175.11252	1.1
181.04959	1.5
181.08659	0.7
181.12238	16.6
182.02805	0.8
183.10207	1.5
187.11140	0.9
193.08623	3.2
193.12251	0.7
200.03763	7.8
205.12190	1.4
211.09630	3.3
223.13286	2.0
228.03262	2.4
269.09723	0.8
289.14362	0.8
297.09009	8.8
300.98123	0.7
307.15237	1.4
327.91730	0.7
343.09686	5.2
343.13522	0.9
343.17426	2.1
343.23209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2222
Annotation	E-64d
Peak:m/z	Relative Intensity
50.14530	0.6
57.07057	0.9
62.98257	5.9
69.70489	2.3
79.71649	0.9
85.02916	1.5
101.48212	0.7
129.52473	0.6
234.59163	0.6
240.23213	3.0
313.06992	1.2
342.37302	2.6
343.11801	1.9
343.22198	100.0
343.37692	2.3
344.22580	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	4.2
55.01891	8.1
55.02113	1.9
55.05519	17.3
57.03433	10.2
57.07078	8.0
57.78065	1.5
59.04995	5.7
64.98820	1.5
65.03937	1.9
67.05504	28.1
69.03429	10.3
69.07065	5.8
69.50212	5.1
71.04999	19.4
76.45337	1.5
77.03928	1.8
79.05499	21.7
79.07685	1.5
81.03410	3.3
81.07059	32.2
83.04999	5.6
83.08609	3.7
85.06535	4.1
91.05481	31.5
93.07046	69.2
94.07343	1.8
95.04970	55.5
95.08606	79.4
96.05304	1.9
97.06528	17.8
103.05442	2.5
105.03424	2.3
105.04544	3.7
105.07032	77.9
106.07404	2.5
107.04932	5.0
107.08594	54.5
109.06528	16.7
109.10145	5.4
111.08141	1.9
115.05449	8.4
117.07029	30.5
119.04908	1.9
119.08576	30.7
121.06505	18.8
121.10147	17.5
122.07352	2.8
123.08063	25.6
123.11737	1.7
125.05939	2.5
125.09644	2.4
128.06181	3.9
129.07022	6.2
130.07805	19.7
131.05066	1.7
131.08548	10.6
132.84099	1.7
133.06497	6.3
133.10117	19.0
135.08049	23.3
135.11691	13.7
137.06024	3.2
137.09631	6.4
142.07803	5.6
143.08583	12.9
145.06410	1.9
145.10129	85.9
146.10429	2.6
147.08031	13.7
147.11702	5.8
148.11560	1.7
149.09624	5.9
151.07553	44.7
153.09155	2.8
155.08493	1.8
156.09338	2.3
157.10114	9.8
159.08032	3.6
159.11713	8.8
161.09613	8.3
161.13248	3.8
163.11186	57.7
165.09114	15.9
169.10118	4.4
171.11670	8.4
173.09637	5.7
173.13271	4.0
175.11223	5.8
175.14851	1.9
177.09129	7.6
179.07040	3.1
179.10793	2.8
181.10173	2.9
181.12219	3.4
183.11734	3.1
185.09615	3.6
185.13243	3.0
187.11200	6.7
187.14873	1.7
189.12732	11.2
193.10150	1.7
195.11681	2.5
197.13304	3.4
201.12860	2.5
203.14223	9.7
207.13835	5.0
209.13263	2.3
209.15285	1.9
213.12602	1.7
215.14343	2.1
217.12296	2.7
221.15358	29.6
223.14960	1.9
225.16331	2.8
227.14497	1.7
233.15329	4.2
240.23349	2.9
241.15845	2.8
243.13905	2.3
259.16873	1.7
263.16376	5.9
269.15317	5.6
271.17038	1.8
286.19305	5.0
287.16556	2.1
287.19824	3.1
313.07010	1.9
325.21521	13.3
343.11801	2.7
343.22668	100.0
344.22937	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.19687	0.5
57.03415	0.7
57.84096	0.6
61.02914	1.3
65.33093	0.5
67.21844	0.4
69.02509	0.4
69.03431	3.3
69.62544	1.8
70.13532	0.5
73.02914	1.1
81.03394	1.3
82.64332	0.4
85.02901	16.4
87.23148	0.5
91.03927	0.5
91.05476	4.2
95.04971	0.5
97.02893	4.1
98.22759	1.0
109.02869	0.9
119.04938	15.2
120.05279	0.7
123.04414	2.3
127.03902	2.7
129.15819	0.5
145.04941	3.6
147.04404	100.0
148.04732	3.7
150.60498	0.5
165.05473	61.6
166.05798	2.5
169.27821	0.5
180.08681	2.1
182.08122	0.7
187.02332	0.5
205.67570	0.5
309.09662	0.7
326.19543	1.2
344.01535	0.5
344.13943	1.1
344.20651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
53.74339	0.4
55.01868	0.7
57.03423	1.0
60.15340	0.4
61.02918	1.5
65.03949	0.4
65.59676	0.5
69.03426	3.9
81.03391	1.2
85.02905	17.1
89.06013	0.5
91.03960	0.7
91.05473	4.5
95.04958	0.5
97.02890	3.4
99.04437	0.7
102.24865	0.4
107.45219	0.4
108.37793	0.4
109.02860	2.0
119.04945	19.5
123.04446	2.5
127.03922	3.3
128.11960	0.5
133.08557	0.7
145.04948	3.9
147.04405	100.0
148.04694	3.0
158.93610	0.4
163.06133	0.6
165.05476	62.1
166.05815	2.1
166.12305	1.0
180.08658	1.8
182.08139	0.5
201.62100	0.4
215.92978	0.4
262.77771	0.5
309.09839	0.7
326.19720	2.1
344.13699	0.6
344.20715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2069
Annotation	(-)-Floridine
Peak:m/z	Relative Intensity
50.61425	0.3
51.74334	0.3
55.01873	0.5
55.05504	0.4
56.05027	0.5
57.03427	0.9
59.04958	0.3
67.05515	0.7
69.03442	0.4
69.07037	0.4
69.84462	0.6
69.84781	0.5
70.06591	3.8
71.04978	0.4
71.06885	0.3
72.08148	0.6
79.05502	1.3
80.05009	1.5
81.07044	0.6
81.63887	0.3
82.06586	0.6
84.04501	0.6
84.08150	0.5
85.02903	0.3
86.09702	1.0
88.03989	0.4
89.06036	0.5
91.05473	1.1
93.07030	0.7
94.06574	1.6
95.04949	2.9
95.08594	0.8
97.06570	0.4
98.06036	0.5
98.22630	0.3
99.04459	0.5
101.06001	0.4
105.06996	0.4
106.06569	0.4
107.08562	1.7
108.08103	1.2
109.06526	0.6
109.08936	0.5
110.09699	0.7
111.08099	0.5
112.07611	0.8
113.05998	1.3
114.09139	0.4
119.08555	0.5
119.09329	0.3
120.08084	0.8
121.06483	0.3
122.09669	1.3
123.04432	0.8
124.11221	0.3
125.09641	0.8
126.03681	0.4
126.09199	0.4
129.10217	0.3
130.04988	0.4
131.08582	0.3
131.70593	0.3
132.08125	0.5
134.09648	1.6
135.10426	0.4
136.11189	1.7
136.36980	0.3
138.09131	1.0
139.07481	0.3
140.10667	0.5
141.05481	0.4
146.09657	1.9
147.04398	1.6
148.11208	0.9
150.09099	0.8
152.10710	1.4
154.12230	0.7
155.06995	0.4
155.08150	0.3
159.04410	1.2
160.11278	0.7
162.12791	0.7
164.10706	3.2
165.05496	1.0
166.12280	0.9
168.10136	0.4
170.11705	0.3
174.12737	0.3
176.10741	0.4
176.14340	0.4
178.12224	1.1
180.13838	0.4
182.11771	0.8
185.09340	0.6
186.12776	1.0
192.13828	0.5
194.15404	1.3
196.09813	0.4
198.11188	0.8
204.13821	2.0
206.15396	0.6
213.08714	0.5
216.12311	0.7
220.13376	0.8
222.14894	6.1
224.16394	0.4
229.15428	0.7
236.16483	1.5
240.15938	9.9
240.18408	0.5
250.14369	1.2
262.18121	0.9
266.13904	0.4
268.15463	1.4
280.19098	6.9
286.16434	0.7
290.17343	0.3
298.20120	13.2
299.20520	0.5
300.17966	0.7
308.18579	1.5
326.19647	8.0
328.21066	0.3
344.20673	100.0
345.21002	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	344.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
55.26004	0.4
57.07075	3.4
59.20722	0.3
60.04503	1.1
65.03981	0.4
67.05504	4.8
67.37484	0.4
69.03423	0.6
69.07051	0.6
69.22875	2.1
70.06238	0.6
70.06594	9.0
71.04966	1.2
71.08605	1.6
74.00980	0.3
79.05479	0.5
80.04994	1.4
81.03439	0.5
81.07068	1.9
83.08611	0.7
85.10152	0.5
88.07632	30.4
89.06036	0.8
91.05479	0.7
93.05784	0.5
93.07015	1.6
94.06024	0.5
94.06568	3.7
95.04980	0.5
95.08614	8.2
96.08926	0.4
97.10136	0.6
98.23428	0.7
99.04463	7.4
104.99277	4.9
105.06999	0.6
105.26981	0.4
106.06567	0.6
106.08672	7.6
107.08579	0.5
108.08126	0.9
109.06458	0.4
109.10168	0.5
111.97189	0.4
119.07315	0.6
120.08097	4.0
123.11691	0.6
127.03911	1.1
131.07181	0.4
132.08066	2.3
133.08827	1.2
134.09645	3.0
136.11209	6.5
137.05975	0.7
144.08104	0.8
145.08832	0.5
146.09645	19.3
147.10477	4.3
150.12810	2.2
160.11229	1.4
161.11971	1.2
162.12770	5.5
163.11163	0.5
170.09619	0.9
171.10454	3.1
172.11227	2.9
174.12833	1.2
175.13478	0.6
176.14348	31.9
177.14702	1.4
184.11205	1.0
185.01926	0.4
185.11993	1.4
186.12744	0.7
188.10686	0.5
188.14352	10.1
189.15125	11.4
190.12213	2.0
190.15878	5.0
200.14218	0.6
202.15793	0.7
204.13847	1.0
205.46165	0.4
213.15099	0.6
216.17490	0.9
218.19040	59.7
219.19379	3.5
228.17470	18.6
229.17850	0.8
244.16916	0.5
246.18530	62.7
247.18878	3.6
262.98172	3.5
281.10364	0.4
283.26303	8.7
284.26566	1.0
321.21179	0.4
326.21320	0.5
326.30582	0.4
344.22208	100.0
344.31384	14.9
344.35303	2.0
345.18637	0.3
345.22568	8.3
345.31863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
55.05511	6.7
57.03435	5.5
57.07602	1.5
65.66917	1.4
67.05505	22.9
69.03445	2.2
69.07072	27.8
69.79784	5.8
71.04997	8.9
73.02917	3.3
78.27499	1.8
79.05496	26.2
81.03426	13.0
81.07060	20.6
83.05003	3.7
83.08638	5.1
85.02892	2.8
85.06566	1.7
89.06009	2.8
91.05490	14.2
93.07058	19.5
95.04960	18.9
95.05434	1.7
95.08604	12.2
97.06535	100.0
97.10161	1.8
99.08099	5.6
104.99277	31.2
105.07050	11.8
107.04963	3.7
107.08589	11.4
107.36575	1.5
109.06524	6.5
109.10178	5.5
109.82623	1.6
111.08090	3.1
115.07572	25.5
117.07014	5.1
119.08611	7.3
121.06539	4.7
121.10156	5.0
121.76231	1.6
123.08091	3.1
125.09564	2.3
129.07016	1.8
131.08572	10.5
133.06474	2.4
133.10150	8.3
135.08096	3.1
135.11694	4.4
136.95676	1.6
137.06007	2.6
143.08597	3.4
145.10156	5.0
147.11694	2.4
149.09619	1.6
149.13258	3.2
150.03313	1.5
151.11214	2.6
155.03369	2.5
157.10159	2.2
159.11732	4.7
161.09595	2.2
163.11166	2.0
169.10223	1.5
173.13255	2.1
175.11214	2.2
177.12679	7.5
183.11655	2.4
195.13826	6.1
197.13538	1.7
221.15247	2.7
223.13298	3.0
262.98193	24.4
273.18567	5.5
291.19571	7.8
309.20544	2.9
344.18359	7.7
344.22269	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.8
55.01871	5.5
55.05503	14.1
57.03435	18.4
57.07064	5.9
67.05506	42.2
69.03428	5.6
69.07072	100.0
70.53560	5.4
71.04987	50.8
71.46099	4.9
73.02914	10.0
79.05503	48.5
79.69580	5.2
81.03423	31.6
81.07059	72.3
83.04979	7.4
85.02911	8.7
85.06537	7.0
89.06014	8.0
91.05486	27.7
93.07038	49.2
95.04977	41.1
95.08591	26.7
97.06536	88.5
99.08076	8.2
104.99269	48.1
105.07018	23.7
106.34660	5.1
107.04953	7.9
107.08593	25.1
109.06485	26.8
109.10128	9.5
115.07568	72.8
117.07014	18.5
119.08584	20.3
121.10119	12.0
123.08031	12.2
131.08588	19.0
133.08643	9.5
133.10149	18.0
135.08075	6.1
135.11679	14.6
141.07024	5.3
143.08516	8.1
145.10155	10.1
149.09656	6.6
149.13269	6.2
157.10150	5.6
159.11720	16.8
161.09605	10.8
163.11166	6.1
171.11615	7.2
173.13255	6.1
177.12711	8.7
211.13396	5.5
217.16026	5.3
219.13925	5.9
221.63971	5.8
223.13197	6.3
227.12743	11.6
262.98148	46.8
273.18457	11.3
282.80789	6.0
291.19437	13.3
314.07373	16.3
344.11713	27.4
344.18408	7.8
344.21997	11.5
344.25842	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05513	4.8
56.02885	0.9
57.03442	0.9
67.05185	0.8
67.05513	3.7
69.07056	1.4
69.63376	2.7
69.63718	0.7
69.90461	0.7
71.08634	11.3
79.05493	2.1
81.03430	4.5
81.07043	2.9
83.08611	2.8
83.91096	0.7
85.02918	0.8
87.04498	1.8
91.05469	1.2
93.07034	2.9
95.04969	1.8
95.08599	1.9
97.10164	2.1
99.08104	7.9
104.99272	6.4
105.07027	1.3
107.08589	2.8
109.02903	1.3
109.10162	2.3
111.08096	0.8
119.08600	1.5
123.04429	4.8
125.09621	2.0
125.67283	0.7
135.08102	1.2
137.09595	0.8
147.11627	0.9
150.57510	0.7
151.11232	1.2
152.29277	1.0
165.09119	10.0
171.10110	1.3
186.61818	0.7
189.11198	1.4
193.12242	100.0
194.12532	3.6
203.78563	0.8
238.56668	0.7
245.18951	0.8
249.14914	1.0
262.98135	4.7
263.20050	1.1
273.18552	0.7
273.22308	0.7
284.29416	0.7
291.19537	30.2
292.19916	1.5
309.20511	4.1
326.30695	0.9
333.14600	0.7
333.26898	0.7
344.18704	1.4
344.31500	3.3
345.20264	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	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.05514	42.5
56.05037	4.8
57.07082	3.9
59.05015	2.3
60.04529	28.6
67.05509	21.7
69.03432	8.5
69.07079	10.3
69.97159	1.9
70.06625	2.0
71.08634	18.4
75.74387	1.8
79.05501	16.9
81.03419	4.5
81.07068	22.6
83.04979	3.6
83.08614	27.2
84.08956	2.1
85.06573	3.1
86.06091	2.0
87.04465	2.9
88.07626	20.0
88.48959	1.9
89.06048	3.4
91.05484	6.4
93.07037	16.1
95.04961	4.9
95.08617	8.2
97.06533	3.3
97.10168	61.2
98.23520	4.2
99.08107	15.2
104.99276	38.6
105.07037	4.9
106.30405	2.2
107.08598	29.5
109.09490	2.1
109.10130	10.0
111.08102	5.4
117.07022	2.7
119.08568	4.2
121.10144	4.5
125.09631	64.3
126.09954	2.7
126.12793	3.0
131.08615	2.0
133.08623	3.7
133.10123	4.0
135.08072	12.0
135.11703	6.5
145.10211	2.3
147.11742	3.9
149.13322	1.9
151.11197	6.6
153.09105	13.8
157.12213	4.5
161.13264	4.4
163.11147	4.0
165.89757	2.1
171.10147	3.4
193.15935	2.9
203.12791	100.0
204.13142	4.3
225.18593	3.9
239.20084	3.2
241.19562	4.2
259.20596	6.0
262.98187	30.3
277.21603	38.1
278.22198	3.3
282.27896	6.2
291.23270	12.0
300.28989	7.7
309.24173	21.2
327.07883	4.7
335.26282	2.0
344.22253	4.7
344.31601	14.9
344.35245	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.8
55.05519	59.1
57.03431	10.3
57.07069	14.5
60.04514	11.0
67.05507	88.6
68.69061	3.9
69.03426	11.3
69.07067	46.8
69.95882	7.3
69.96248	6.6
70.06586	12.7
71.04971	8.7
71.08643	25.1
72.04507	6.5
73.35368	3.9
79.05499	60.1
81.03399	4.1
81.07066	100.0
83.04972	25.4
83.08628	24.3
85.02890	5.1
85.06541	8.5
85.10192	5.1
88.07632	34.6
89.06034	5.6
91.05480	43.0
93.07043	91.8
94.07353	3.6
95.04990	20.1
95.08608	57.5
97.06540	26.3
97.10175	23.5
99.08086	14.9
99.80138	4.0
101.06001	3.6
104.99263	50.3
105.03402	4.5
105.07032	31.6
106.08683	6.1
107.08590	41.6
109.06477	4.9
109.10178	25.8
111.08066	6.0
111.11724	3.3
117.07008	9.8
119.08617	21.7
121.10158	27.7
123.11732	9.9
125.09638	22.2
129.07008	4.9
131.08583	15.0
133.10123	22.9
135.08047	5.7
135.11699	32.7
137.09637	5.4
137.13304	6.7
139.11180	46.0
147.11710	21.5
149.13242	37.5
151.11189	7.6
153.09113	5.2
157.10197	6.9
159.11688	13.0
161.13272	15.8
163.14836	6.3
165.12782	8.3
171.11667	5.1
173.11769	4.6
175.11197	4.5
175.14819	12.1
177.12695	11.2
193.12157	5.9
195.13814	19.3
203.12810	16.9
212.66487	4.2
231.21045	4.3
241.19371	9.2
244.34003	3.6
249.22223	4.4
259.20490	17.9
262.98245	43.6
264.33014	3.9
265.21780	4.2
277.21640	90.2
283.26251	8.8
284.29340	4.4
291.23145	15.0
309.24231	19.1
326.30566	4.2
344.18292	5.0
344.31564	24.5
344.35056	6.5
345.20303	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	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66924	5.3
55.05517	46.7
57.03434	14.2
57.07080	27.6
59.04999	7.2
60.04518	11.4
67.05509	80.5
69.07072	35.6
69.75227	17.9
70.06581	11.3
71.04999	12.6
71.08624	23.3
74.06104	5.4
79.05492	47.9
81.03408	41.3
81.06623	9.0
81.07060	98.9
83.04977	25.5
83.08624	27.1
85.10191	7.7
88.07642	48.6
89.06006	7.8
91.05488	40.0
93.07056	71.3
95.04978	29.3
95.08600	55.0
97.06505	13.3
97.10189	13.1
99.08113	8.4
101.35214	6.0
101.35899	5.4
104.99268	77.0
105.07040	21.6
107.04979	5.7
107.08604	35.3
109.06522	9.6
109.10170	34.0
110.35579	6.1
111.08067	19.3
117.06986	9.9
119.08605	20.9
121.10155	31.0
123.11676	8.3
125.09631	9.2
129.07056	7.1
131.08557	12.7
133.06422	6.9
133.10139	24.3
135.11699	20.6
137.09618	6.4
139.07518	7.0
139.11197	22.8
145.10138	9.6
147.11674	22.6
149.09621	6.1
149.13261	29.0
149.49211	6.6
151.11162	7.4
157.10132	18.6
159.11711	17.1
161.13365	6.3
165.12759	6.9
173.11749	24.6
175.11179	18.6
177.12775	11.6
187.13226	6.3
193.12260	86.6
195.13747	36.6
203.28989	5.6
211.13292	100.0
227.16373	8.8
259.20633	7.1
262.98178	44.9
277.21490	32.5
291.23221	14.5
295.22723	44.1
309.24219	12.1
343.37607	27.2
344.18527	8.0
344.25705	62.3
344.31476	21.0
344.38232	66.6
345.20355	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97360	7.9
55.01862	14.6
55.05511	58.0
57.03444	9.2
57.07070	14.2
67.05505	89.1
69.03432	14.4
69.07059	40.4
69.42809	35.3
71.04981	8.6
71.08646	36.8
75.84158	6.5
79.05493	61.5
81.07060	100.0
83.04977	28.0
83.08624	20.7
85.06536	7.3
88.07631	11.2
91.05485	44.7
93.07047	91.8
95.04965	31.6
95.08617	53.1
97.06549	23.3
97.10167	15.8
99.08096	30.8
105.07017	37.7
107.08578	32.4
109.10133	19.2
111.08082	15.6
117.07079	14.4
119.08580	18.6
121.10112	45.7
123.11697	14.0
125.09663	8.7
129.06973	12.1
131.08598	16.1
133.10124	37.2
135.11682	29.0
137.09569	8.5
139.07529	13.7
139.11174	59.4
143.08571	9.2
143.11760	7.2
145.10173	11.8
147.11700	23.6
149.13266	31.8
151.11215	22.1
159.11722	21.5
161.13229	11.4
163.11165	9.3
165.12701	8.8
173.13248	11.2
175.14917	16.0
177.12759	8.7
193.12152	10.2
195.13835	19.2
214.21709	7.7
221.15285	7.0
241.19618	13.1
254.86697	7.0
259.20554	19.0
277.21637	79.1
291.23282	18.5
309.24191	18.3
336.10809	7.7
344.31735	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	344.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
56.05038	6.6
57.07077	5.1
58.06594	1.5
60.04525	100.0
61.04881	0.7
67.05499	4.7
68.05040	0.7
69.07070	6.6
69.68811	2.5
70.06589	2.8
71.08633	2.6
71.25805	0.7
72.04515	1.9
74.06080	1.0
77.21593	0.7
77.62881	0.5
78.46434	0.6
79.05482	2.0
79.29965	0.7
81.07053	5.4
82.06573	1.9
83.08619	5.2
85.10190	1.4
86.06068	2.5
86.59760	0.6
88.07629	57.4
89.07949	1.0
90.05580	1.2
90.42161	0.7
93.07044	2.6
95.08599	6.1
96.08146	1.0
97.10181	2.2
98.22667	0.9
104.99273	5.2
107.08598	1.1
109.10155	2.0
111.11719	0.8
121.10117	1.4
123.11789	0.8
163.59818	0.7
168.01743	0.6
252.26807	2.6
254.28482	1.9
262.98169	4.5
264.26773	3.5
265.25317	0.7
270.27856	3.5
282.27911	26.5
283.28214	1.7
294.39664	0.6
300.28970	35.2
301.29245	2.5
308.29398	1.0
326.30637	3.2
344.31573	41.3
345.31750	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	344.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
56.05038	6.6
57.07077	5.1
58.06594	1.5
60.04525	100.0
61.04881	0.7
67.05499	4.7
68.05040	0.7
69.07070	6.6
69.68811	2.5
70.06589	2.8
71.08633	2.6
71.25805	0.7
72.04515	1.9
74.06080	1.0
77.21593	0.7
77.62881	0.5
78.46434	0.6
79.05482	2.0
79.29965	0.7
81.07053	5.4
82.06573	1.9
83.08619	5.2
85.10190	1.4
86.06068	2.5
86.59760	0.6
88.07629	57.4
89.07949	1.0
90.05580	1.2
90.42161	0.7
93.07044	2.6
95.08599	6.1
96.08146	1.0
97.10181	2.2
98.22667	0.9
104.99273	5.2
107.08598	1.1
109.10155	2.0
111.11719	0.8
121.10117	1.4
123.11789	0.8
163.59818	0.7
168.01743	0.6
252.26807	2.6
254.28482	1.9
262.98169	4.5
264.26773	3.5
265.25317	0.7
270.27856	3.5
282.27911	26.5
283.28214	1.7
294.39664	0.6
300.28970	35.2
301.29245	2.5
308.29398	1.0
326.30637	3.2
344.31573	41.3
345.31750	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	344.3162
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
55.05518	9.5
56.05037	4.0
57.07075	6.9
60.04530	53.6
67.05510	19.9
69.07064	9.2
69.60402	4.1
70.06599	11.4
71.08637	2.7
79.05489	1.3
79.64349	1.0
81.07062	20.7
83.08603	5.9
84.08154	1.1
85.10191	1.4
87.04438	1.1
88.07633	1.9
89.06028	1.2
93.07046	1.7
95.08614	18.3
97.10193	4.2
98.63992	0.9
102.05595	2.6
104.99277	5.5
107.08614	1.1
109.10141	6.9
112.95554	1.0
123.11726	1.9
128.85822	1.1
133.08601	1.3
183.51962	1.0
210.65349	1.1
254.28471	2.7
262.98215	4.0
266.28433	25.2
267.28873	1.1
284.29510	12.5
308.29416	10.1
326.30536	100.0
327.20175	1.1
327.30859	7.2
344.22589	1.8
344.31699	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	345.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	4.1
84.08134	9.5
145.15392	3.5
152.01859	4.1
154.03497	4.2
158.96048	3.0
158.97264	9.3
170.02997	14.9
176.98378	4.0
177.00946	6.3
182.97168	5.6
184.04584	8.7
196.04651	8.4
198.02483	18.3
200.98248	20.1
201.01042	4.5
212.85255	18.8
214.05528	3.9
214.96524	11.9
216.03641	4.9
219.01996	87.5
220.02185	6.4
224.98187	7.9
238.96681	3.8
242.03500	3.3
242.99371	12.6
244.02956	20.4
251.06718	3.0
255.11568	4.0
256.97601	76.0
257.97690	7.7
266.35886	3.4
268.03064	8.3
280.97452	7.9
286.04074	37.9
298.98438	100.0
299.98645	7.5
304.05182	15.2
321.99466	10.6
344.96024	12.9
344.99844	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	12.8
58.99861	3.1
64.71046	1.6
70.06499	1.5
75.50529	1.7
79.55223	1.8
101.00889	3.9
102.17416	1.6
109.22919	1.7
111.02963	2.1
119.01926	4.0
127.00702	1.9
127.02404	2.1
127.21215	2.0
129.03973	12.4
142.01746	6.3
145.03445	7.9
147.05026	6.4
155.00160	5.3
155.01930	2.7
157.03442	10.1
159.05009	2.7
160.02869	2.7
161.03017	2.9
163.04536	3.9
173.01221	13.9
173.02826	3.6
175.02963	3.1
175.04498	19.0
181.07056	3.5
185.02968	2.3
191.02260	9.3
191.03894	3.6
193.05618	3.5
199.08205	3.3
203.03625	3.2
209.06615	3.2
215.03957	2.7
219.01768	4.2
221.04744	2.0
225.06096	4.1
227.07657	8.2
235.01308	1.9
243.03575	2.7
243.07135	5.6
245.08904	2.0
253.05638	3.4
255.07130	3.7
263.60574	1.8
271.06769	14.1
273.08139	3.1
289.07605	5.6
299.06247	21.7
300.06250	2.7
317.07379	10.2
327.05685	11.0
345.05963	100.0
346.06390	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	345.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.4
56.05017	1.9
56.96566	7.3
60.05646	6.5
66.64318	1.8
70.06593	35.9
70.97190	2.0
70.97529	3.1
72.08156	35.2
83.06118	2.6
84.08143	77.4
86.09713	27.8
101.10786	2.3
110.07126	2.3
111.05525	2.7
112.08723	5.0
116.07149	2.6
118.08700	2.1
122.07181	5.2
126.03737	3.6
128.75829	2.1
129.04015	2.2
129.10240	55.4
131.88594	2.5
132.04443	10.0
133.06097	4.8
142.01793	5.0
143.11832	5.1
144.10217	2.3
147.11334	2.8
151.06224	3.9
158.09251	3.2
161.12781	3.2
175.04573	6.2
175.11932	9.7
177.00967	2.8
183.15021	6.1
185.16495	10.0
191.02260	2.5
193.05669	2.8
213.16003	6.3
217.15675	2.2
219.02118	3.5
221.01732	3.0
228.17157	6.8
232.14130	2.4
243.02110	3.4
247.03334	2.5
258.97418	2.7
259.11899	4.3
273.03079	2.0
275.04700	4.9
284.11563	3.1
298.98297	2.7
299.06223	2.3
302.12631	6.8
302.96371	21.9
328.19775	3.6
344.20599	15.3
344.97519	8.1
345.05920	100.0
345.12759	39.5
345.21637	36.5
345.25348	13.0
346.06253	6.2
346.13739	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	345.1157
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
56.88945	0.4
69.30849	1.5
69.31248	1.2
72.08153	1.2
89.06038	7.0
90.06361	2.3
101.00899	0.9
119.01954	0.6
126.99976	0.6
133.08635	3.4
134.08966	2.0
136.07588	0.5
137.05995	0.5
138.09146	0.9
138.43550	0.5
149.06059	0.6
177.11237	0.8
178.11539	1.3
259.11548	1.5
271.04254	0.6
301.05771	0.5
301.12595	11.0
327.20135	0.8
328.20477	3.6
345.11551	100.0
345.21631	2.6
346.11920	4.5
351.45813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.7
60.63210	0.5
69.03414	0.7
69.84981	1.2
70.06602	0.4
72.08144	0.5
79.93722	0.4
80.05024	0.6
83.06100	1.3
84.08121	0.4
85.02891	1.7
86.03547	1.4
92.05802	0.5
95.04948	0.9
95.06099	1.2
98.22707	0.5
104.04980	0.9
104.99258	0.5
105.03394	0.6
105.05774	1.7
106.06548	1.3
108.10848	0.4
111.05565	3.2
119.04900	0.5
120.04473	1.7
120.05260	0.8
123.05542	0.6
125.05862	0.6
126.06629	1.9
127.03809	0.3
130.06549	0.5
132.04454	19.9
132.08104	0.4
133.04816	0.7
134.06010	4.2
137.04668	0.8
137.05978	0.6
137.18867	0.4
138.09160	0.6
143.74388	0.4
143.75647	0.4
147.04396	4.3
148.04788	5.1
148.11169	0.4
150.05437	2.6
151.06157	8.5
165.05481	2.7
166.05797	3.2
166.07201	0.9
166.12273	1.1
167.12640	1.5
177.03976	0.5
187.08690	0.9
194.06749	4.0
195.07494	0.9
202.09723	1.6
203.08102	0.9
216.11287	1.1
225.16827	0.7
230.09230	1.1
231.07649	1.4
232.10785	1.7
233.13876	0.4
242.09268	3.8
255.08810	0.5
257.10358	4.3
259.11917	11.3
260.12274	0.5
277.12918	0.5
284.11420	7.0
287.10974	0.7
301.14120	1.1
302.12509	15.6
303.12830	0.9
310.95621	0.4
326.19647	0.7
327.11826	3.2
327.19931	4.6
345.13007	100.0
345.21320	2.3
346.13120	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	345.1873
Annotation	alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene
Peak:m/z	Relative Intensity
55.03425	0.5
56.96561	4.2
60.05626	0.8
61.84641	0.6
69.07059	2.5
70.06595	6.3
72.08151	2.9
73.01546	0.6
81.39091	0.5
82.99829	0.8
84.08121	2.0
86.09707	53.6
87.10008	1.0
97.06541	4.0
100.02503	0.7
101.00874	11.1
104.10720	1.2
106.40444	0.5
112.02441	0.8
112.08711	1.7
113.00870	0.6
116.07124	0.6
118.03542	3.2
119.01924	25.6
120.02036	1.3
122.07162	1.3
126.07603	1.0
129.10249	0.7
130.03477	0.8
131.01904	1.8
132.10213	2.0
137.02953	3.9
142.01715	1.5
142.07144	2.7
143.11816	1.5
144.05069	0.9
144.08698	2.6
149.03044	0.7
154.03514	1.2
154.07158	1.7
155.05576	1.0
157.06480	0.9
157.71780	0.6
158.04854	0.5
160.08205	3.1
162.09769	3.3
168.08678	3.1
172.04509	0.7
172.08195	14.0
173.01242	0.6
173.06580	2.2
173.08195	0.9
174.09608	0.7
175.11923	1.0
186.09760	25.4
187.09940	1.2
190.09235	2.4
191.07683	1.5
196.08122	1.4
197.06598	1.9
202.09303	0.7
203.03494	0.6
203.07097	1.8
204.10811	7.2
206.07188	0.8
208.10329	2.0
214.09241	46.6
215.07928	2.7
215.09346	3.2
215.11278	0.7
221.08142	1.0
232.10303	100.0
233.08743	0.5
233.10539	8.3
239.16006	2.3
240.14424	2.3
255.11836	1.9
255.15573	0.7
257.17136	3.6
258.15430	0.6
267.15567	1.9
273.16595	0.7
275.18173	3.7
276.07715	0.7
285.16568	16.1
286.17157	0.9
303.17645	64.6
304.17831	8.7
321.18756	4.4
323.47961	0.7
326.19238	1.4
328.19858	0.7
339.01718	0.6
345.09512	0.8
345.13254	0.6
345.18683	1.2
345.22379	8.2
346.22678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1286
Annotation	Candimine
Peak:m/z	Relative Intensity
53.03928	0.3
60.04516	0.3
65.03943	4.3
67.05499	1.8
69.03414	0.6
69.07050	0.2
69.20811	0.7
69.21232	0.7
76.39075	0.3
79.05471	0.3
82.04194	1.7
85.02905	2.9
93.03399	1.4
95.04955	0.9
97.06511	1.2
105.04519	0.2
108.02110	0.8
110.03645	2.2
111.04443	0.6
120.08109	1.9
121.04034	0.2
123.00784	0.4
125.05978	1.5
136.06555	0.2
138.03143	1.5
142.02585	0.9
146.09413	0.2
150.23016	0.2
153.05457	4.6
161.09669	0.3
168.45049	0.2
171.06526	4.4
181.04950	100.0
182.05302	4.4
220.56757	0.2
235.87073	0.2
346.19940	1.1
346.23874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52456	0.6
55.01871	19.4
60.04491	0.9
61.02918	1.9
69.03418	3.2
69.42609	3.5
73.02901	1.3
74.06080	1.1
77.03925	1.0
79.05508	1.1
81.03416	2.4
84.08125	0.9
85.02904	12.9
86.09718	1.8
91.03933	0.8
91.05462	1.3
93.07045	2.4
97.02850	3.6
101.57012	0.8
103.05484	1.4
103.46033	0.7
107.04955	56.9
108.05265	1.8
109.02906	1.0
121.06506	88.3
121.23260	0.7
122.06845	2.3
127.03890	1.7
137.06107	0.7
145.04926	2.3
149.05978	100.0
150.06303	3.9
167.07040	87.2
168.07338	3.4
187.14380	1.6
346.13235	2.3
346.20023	3.6
346.23682	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	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.0
55.01865	3.6
57.03442	6.7
61.02939	11.5
61.17940	1.8
69.03439	22.6
69.28535	8.5
71.04993	4.6
73.02921	4.2
80.05023	2.1
81.03429	9.7
85.02911	100.0
85.06540	1.5
86.09724	7.1
87.04478	4.1
91.03965	7.2
94.06597	2.1
97.02898	31.3
98.23473	3.0
99.04469	5.6
103.03909	1.8
107.04963	71.1
108.05294	1.6
109.02904	6.6
114.41332	1.3
121.06528	3.2
126.03776	2.2
127.03922	22.6
136.11189	1.6
138.09171	3.0
144.06557	1.3
145.04971	39.6
147.04460	4.3
148.04700	2.4
149.04881	2.9
149.06003	34.1
155.44861	1.4
162.01260	1.8
162.12772	2.3
163.06009	6.0
165.05441	2.8
166.08632	1.5
166.12251	1.7
167.05887	2.4
167.07072	18.4
167.12631	1.9
173.06012	4.3
180.08701	17.4
184.09758	9.2
215.07068	9.4
233.08090	6.8
248.85692	1.4
252.02010	1.8
257.08081	2.9
275.09225	3.5
302.19049	1.4
328.20279	9.0
336.31284	1.5
343.51987	1.4
346.15271	4.3
346.20505	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	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08344	1.0
53.03949	1.1
55.00877	1.1
55.05514	1.2
57.48114	1.1
67.05492	2.3
69.03436	3.5
70.70458	2.1
71.04990	6.9
77.59576	1.0
79.05491	13.9
81.07056	6.6
85.36101	0.9
88.66097	1.1
91.05479	8.5
93.07062	3.5
95.04948	3.1
97.02919	1.3
97.06548	2.4
99.04465	13.0
102.55602	1.0
105.07032	19.6
106.40676	1.2
107.04953	17.3
107.08604	3.6
109.02884	1.2
109.06512	2.1
109.10123	1.4
111.04423	1.4
115.05464	1.3
117.07033	6.2
119.08588	25.5
120.58311	1.4
121.06503	5.2
125.05966	3.1
128.06203	5.8
129.06998	4.0
130.07817	1.3
133.06522	1.9
133.10136	26.0
135.08105	2.1
137.09613	4.5
143.08556	12.1
145.06461	2.7
145.10103	2.9
146.07257	5.2
147.08051	27.1
147.09174	2.2
160.07214	1.1
161.09618	100.0
162.09966	2.9
163.07559	1.6
165.09109	9.1
171.08052	2.7
174.06848	2.5
179.03291	1.1
179.10690	11.5
189.09097	20.6
207.10159	55.1
208.10567	2.7
225.11214	7.1
262.18161	2.3
293.10242	5.8
311.11224	21.8
329.12259	21.9
330.12610	1.6
346.20126	2.1
346.23920	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	346.165
Annotation	Prostephabyssine
Peak:m/z	Relative Intensity
50.41617	0.2
55.01872	0.4
56.05033	0.3
56.13052	0.2
58.06595	0.2
67.05508	0.5
69.03429	2.5
69.07066	0.3
69.85307	0.2
69.85645	0.8
70.06592	0.5
71.04996	0.5
79.05491	1.2
80.05045	0.3
81.03405	0.3
81.07053	0.9
82.06579	0.9
83.01334	0.4
83.05006	0.3
83.07353	0.4
84.04494	0.3
84.08140	0.4
86.06061	0.7
86.09716	0.2
91.05447	1.2
93.07043	0.8
94.06564	1.2
95.04989	0.6
95.08627	0.3
96.08133	7.3
99.04460	0.5
103.05498	0.2
105.07037	1.1
107.04971	0.7
107.08591	0.7
109.06503	0.5
110.06034	0.4
110.09653	0.3
112.07586	0.7
117.07011	0.5
119.07311	0.3
119.08612	0.6
120.08101	4.2
121.06525	1.0
122.09686	0.7
123.08140	0.2
124.07570	0.2
127.03930	1.0
129.06976	0.4
131.07339	0.5
131.08505	0.5
132.04495	0.6
132.08078	0.8
133.04782	0.4
133.06476	0.3
134.06006	0.3
134.09663	2.2
135.08054	0.6
136.11192	0.6
138.09132	0.3
144.08095	0.7
145.06522	0.5
145.10083	0.4
146.09677	0.4
147.08083	0.3
148.07573	1.5
148.08699	0.4
148.11232	0.5
149.05972	0.6
150.09230	0.3
155.03394	2.1
155.07118	0.4
159.08029	0.7
159.11682	0.3
162.09140	16.9
162.12796	0.7
163.09938	1.1
163.11137	0.3
163.13557	0.4
164.10707	0.9
165.05467	0.8
167.07089	0.7
172.11224	0.3
173.05959	0.5
173.09589	0.4
175.07590	0.3
176.10701	0.3
177.09108	0.3
177.16046	0.3
179.07014	0.3
183.06560	1.1
185.11760	0.5
187.11162	0.3
190.12297	0.7
191.06921	0.3
192.13902	0.6
195.06654	0.4
201.09155	0.3
205.08665	0.3
207.06459	0.3
207.10213	0.2
211.07672	0.3
215.10736	0.5
218.11787	3.4
221.08115	0.3
225.09207	0.3
233.08128	0.7
237.85768	0.2
241.08897	0.3
243.10014	0.4
247.09677	0.3
253.08615	0.3
257.11697	0.4
258.10709	0.3
260.12411	0.3
261.11230	0.7
263.09158	0.7
268.64410	0.2
273.11099	1.7
275.12778	4.5
285.11453	0.6
292.19016	0.3
299.12708	1.2
303.12552	0.5
316.15271	0.3
318.16949	1.1
328.15741	0.5
346.16513	100.0
347.12552	0.5
347.16794	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	346.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21352	0.6
55.01881	0.5
55.05511	3.2
56.05016	0.8
56.19590	0.5
57.03424	1.4
58.02951	1.5
59.05005	0.9
62.16271	0.5
67.05498	4.1
68.05010	0.8
69.03427	5.4
69.52821	2.3
70.06587	3.4
71.04993	3.1
72.08147	1.7
74.06062	1.8
79.05492	4.1
81.07042	4.0
82.06588	1.4
83.04990	5.0
83.08607	2.1
84.08141	1.7
85.06541	0.5
86.06059	1.4
86.09696	2.3
91.05454	1.5
93.07046	2.7
94.06597	1.7
95.04961	1.9
95.08609	1.4
96.08125	5.4
97.02880	1.7
97.06500	1.2
98.06058	2.4
98.09674	1.0
99.08076	0.7
99.60120	0.5
100.07590	1.3
101.06012	0.8
102.64993	0.6
109.06536	1.5
109.10152	0.7
109.17847	0.5
110.09689	3.3
111.08079	5.8
112.07607	3.8
112.11238	0.7
113.96825	0.5
114.09176	12.6
122.09644	2.1
124.07592	3.7
124.11232	0.6
126.09138	1.2
129.09119	1.6
129.10112	0.9
137.09615	0.6
138.09157	1.3
139.07550	10.1
140.07051	1.6
140.10687	6.2
142.08633	100.0
143.08968	2.7
150.09219	1.3
156.10205	4.3
168.10188	10.9
174.11302	1.2
182.11832	0.6
186.11252	56.1
187.11615	2.4
199.18025	0.9
200.12817	8.1
230.13867	11.7
252.15854	0.7
270.17010	8.6
298.20093	1.2
310.20148	4.1
311.20294	0.8
328.21106	2.9
346.22244	39.3
347.22641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
55.05520	12.9
57.03436	6.0
57.07065	4.5
57.40189	2.2
67.05505	47.1
69.03416	4.5
69.07061	10.7
69.43048	12.0
71.04978	5.3
71.08635	25.4
79.05491	11.5
81.03405	4.0
81.07068	17.9
83.04984	12.1
83.08624	10.1
85.06521	3.1
85.16738	2.3
88.07643	4.4
91.05484	10.4
93.07035	16.8
93.85950	2.6
95.04967	11.7
95.08621	31.5
97.06538	5.0
99.08078	18.8
100.63737	2.1
104.99312	5.7
105.07024	7.2
107.08598	9.6
109.10157	41.3
109.56861	2.6
111.08048	4.2
113.09646	4.4
115.31803	2.1
117.06997	4.0
119.08590	9.9
121.02864	3.6
121.06470	2.1
121.10159	9.5
123.08065	3.5
125.09636	2.7
131.08582	2.7
133.10150	9.9
135.11725	6.6
137.09581	6.5
139.11198	22.6
146.38423	2.5
147.11626	3.2
149.09592	2.8
149.13248	3.6
151.11188	9.8
155.10677	13.8
159.11763	3.1
163.11261	2.6
173.11766	31.5
177.12843	5.1
179.10681	3.5
188.10695	3.3
195.13792	5.8
218.08015	2.4
247.20528	2.4
256.26312	3.1
263.98621	2.8
265.21634	39.6
266.22040	4.0
275.20062	8.5
283.22675	5.4
293.21069	50.7
294.21451	3.1
303.31631	2.3
311.22147	100.0
312.22659	6.0
346.16437	4.1
346.29474	8.7
346.33212	3.5
347.18390	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01879	31.8
55.05513	20.4
56.97119	6.2
57.03428	9.8
57.07063	6.3
67.05511	35.5
68.93973	5.7
69.03442	5.2
69.07072	20.3
70.39314	10.8
71.05022	8.9
76.39089	5.0
79.05490	38.2
81.07056	51.4
82.07424	5.0
83.04989	13.8
83.08613	12.4
85.06536	12.3
87.04478	18.4
91.05472	31.0
93.07044	45.1
95.04987	7.3
95.08614	27.4
97.10156	7.9
104.99298	11.1
105.07024	24.9
107.08586	33.1
108.35818	6.1
109.10172	16.2
113.06062	5.3
117.07045	9.5
119.08599	23.2
121.10161	19.1
125.09635	100.0
125.67003	5.8
129.06946	6.5
129.09177	5.9
131.08575	14.6
133.10164	14.9
135.08043	8.4
135.11703	10.2
137.09627	9.2
141.35332	5.7
145.10098	13.1
147.11754	9.3
148.11884	5.4
149.09630	7.2
177.12708	6.6
195.13794	8.5
213.14821	10.5
235.16946	30.2
257.19107	11.3
263.98453	7.8
275.20200	31.5
293.21149	16.4
346.26129	9.3
347.18295	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06435	2.7
55.01878	11.3
55.05521	28.7
57.07072	7.6
67.05514	40.5
67.48888	2.6
69.03438	9.2
69.07085	16.7
70.69373	4.8
71.05016	3.9
71.08634	33.2
71.37119	3.3
73.02911	4.3
77.22370	2.9
79.05502	29.0
81.07066	44.8
82.16939	3.0
83.04982	9.2
83.08623	19.3
85.06537	6.6
85.10188	5.2
91.05489	13.1
93.07052	29.5
95.04974	6.0
95.08610	35.3
97.06538	12.4
97.87977	2.9
99.04466	3.5
99.08102	26.2
104.99292	8.2
105.07026	8.8
107.04962	3.3
107.08630	13.7
109.10177	12.2
111.08096	13.2
113.09638	6.3
119.08579	9.5
121.02903	8.7
121.10200	18.9
123.11738	5.1
127.03926	6.0
127.34845	3.1
131.08562	7.8
133.10136	12.3
135.11684	16.9
137.09584	3.4
137.13266	9.0
139.11200	9.3
145.10194	5.9
147.11674	7.5
149.13263	10.7
153.12755	7.7
155.14349	6.7
159.11751	4.3
165.12822	3.7
169.12306	4.8
173.13303	4.8
219.21114	3.9
229.19565	9.0
247.20667	14.7
250.71429	3.3
265.21631	100.0
266.21933	5.3
283.22662	17.3
293.21255	7.2
311.22177	66.8
312.22449	4.3
323.20691	4.3
346.16827	3.6
346.29456	5.2
347.09631	5.0
347.18335	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70197	5.7
55.05503	29.2
58.58151	5.8
67.05495	63.6
69.07064	22.5
69.35781	32.8
79.05494	31.4
81.07050	71.7
83.08611	20.0
85.02190	5.6
91.05473	25.7
93.07040	42.9
95.08615	33.0
97.06510	11.6
97.10146	15.4
99.08083	7.5
105.07035	33.7
107.08604	39.4
109.10156	20.9
117.07069	9.7
119.08582	25.0
121.10168	18.0
125.09628	14.7
131.08507	9.6
133.10143	20.4
135.08031	9.2
135.11717	16.8
138.56995	7.0
149.09598	13.0
149.13235	19.9
159.11688	21.1
173.11714	21.4
177.12772	12.4
189.11356	14.4
195.13805	66.7
213.14833	39.3
217.37927	6.6
257.18933	11.5
265.46094	6.2
275.20032	100.0
276.20108	8.2
281.47757	6.3
284.53574	6.5
293.21036	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87862	5.8
56.96569	17.2
85.02934	7.3
98.97584	13.4
99.04436	6.5
101.00880	32.4
102.05544	6.5
113.00903	13.2
119.01894	31.8
126.03718	7.1
129.04050	7.8
131.01909	21.4
133.42560	6.3
143.01889	40.2
145.03479	10.0
153.03961	10.3
155.01880	44.3
157.03485	15.5
161.03006	31.3
168.06598	7.6
171.05028	19.1
173.01398	11.9
173.02986	47.6
175.04538	26.6
183.04999	7.5
199.04489	50.1
201.06104	13.0
203.03804	7.2
217.05554	68.7
227.04039	12.6
227.07568	7.9
237.02910	7.0
245.05043	100.0
246.05319	10.7
255.07248	8.3
263.06241	29.2
273.08252	10.0
275.06091	14.2
279.07175	8.7
287.06070	39.5
301.07675	19.5
305.07260	8.4
329.07422	42.2
347.07678	63.1
347.13037	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	347.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09012	1.1
56.96570	3.2
58.99858	2.3
69.43781	5.9
71.04988	1.8
80.94494	1.2
82.99818	7.5
85.02919	1.2
98.22661	2.5
99.04448	2.5
101.00875	34.9
102.01013	1.5
104.85030	1.1
109.02927	1.6
111.02942	3.3
113.00867	11.0
119.01916	28.1
129.03983	11.2
131.01903	17.7
131.03722	1.7
131.05568	3.6
132.02011	1.3
133.03557	2.1
139.02443	3.6
141.04001	1.3
142.15784	1.2
143.01907	41.8
143.74121	1.3
144.02066	2.1
145.03447	1.9
147.05040	3.6
153.03938	10.0
155.00031	1.8
155.01891	46.7
156.02007	2.4
157.03448	22.9
159.05040	4.8
161.02954	31.5
162.03117	2.2
165.04034	2.5
171.05000	21.7
173.01300	4.2
173.02950	49.3
174.03200	3.4
175.04520	38.0
176.04657	2.0
177.04298	3.6
181.03447	6.6
181.07062	1.7
183.05055	8.4
185.02924	6.0
189.06204	1.1
191.02361	2.4
191.03981	2.6
193.05611	4.5
199.04518	49.6
200.04691	4.8
201.06097	12.5
203.03847	5.0
209.06564	10.6
211.04591	3.8
211.08136	1.3
217.05574	62.6
218.05809	5.0
221.04993	5.1
227.04008	13.1
227.07571	17.4
229.05580	4.7
235.06609	2.5
237.06091	2.8
239.07739	1.3
241.05505	1.4
245.05066	100.0
246.05272	7.4
255.07143	21.7
256.07336	2.8
257.05063	8.3
257.08749	4.5
263.06119	30.1
264.06335	1.9
273.08243	24.6
274.08548	2.0
275.06079	16.3
283.06641	4.5
285.08133	2.0
287.06107	32.8
288.06396	2.5
293.07059	4.3
299.06213	2.9
301.07846	23.7
302.07916	2.1
305.07153	5.6
311.06082	3.1
317.07144	4.3
319.08640	5.6
329.07184	66.8
330.07355	8.0
347.08212	34.0
365.09247	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	347.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.9
60.04511	2.1
60.08147	0.6
63.11351	0.5
70.06592	1.7
70.20605	1.5
72.08173	3.6
74.06064	1.2
82.99800	2.7
83.06087	0.5
84.04514	2.5
84.08141	9.5
85.02898	1.1
86.09708	6.3
87.05586	0.6
97.02871	0.8
101.00230	1.1
101.00878	16.6
101.07146	0.5
102.00971	1.0
102.05581	0.6
106.05035	0.6
113.00842	0.7
119.01923	23.5
120.01993	0.8
123.04382	2.5
129.10236	5.4
130.05014	1.8
130.08600	1.3
131.01918	2.9
136.06189	15.8
137.02971	2.1
143.01901	92.6
144.02008	4.9
145.03452	1.0
147.07635	2.3
147.11267	1.9
151.03914	0.9
155.01900	1.4
159.07697	0.6
161.02960	100.0
162.03087	5.8
162.97522	0.5
169.04982	1.6
173.02914	1.9
173.12863	2.9
174.14893	5.6
175.11931	0.7
184.04608	1.6
185.06450	1.1
187.04543	0.6
187.14467	1.1
197.06638	0.7
201.05975	0.7
201.12321	0.9
203.04016	47.8
204.04109	3.4
221.04828	0.8
227.07625	3.0
231.07471	0.8
241.21219	0.5
245.05087	1.6
254.39056	0.5
263.06097	1.8
287.09747	13.8
287.51746	0.7
288.10034	1.3
305.10767	0.8
329.07700	1.1
329.17984	0.6
347.05835	1.6
347.08276	0.6
347.11819	5.8
347.23172	4.3
348.07019	1.5
348.12238	1.0
348.16617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1854
Annotation	Gibberellin A24
Peak:m/z	Relative Intensity
55.05508	2.5
58.02953	1.7
67.05507	1.8
67.88809	0.8
68.77995	0.8
68.99531	1.0
69.07051	1.0
69.23499	4.9
79.05464	1.4
81.07065	3.2
82.67192	0.8
83.08618	3.1
91.05460	1.7
93.07056	2.6
95.04940	1.8
95.08604	3.8
97.06528	2.8
100.07620	1.0
100.11250	5.6
105.07043	2.8
107.08614	2.6
109.06493	2.2
109.10139	1.6
112.07536	0.8
114.09167	4.1
117.06984	0.9
119.08610	2.7
121.06428	1.2
121.10155	0.8
123.08064	1.4
128.07111	1.0
129.07045	1.0
131.08565	1.3
133.06522	0.9
135.08083	2.0
137.06007	1.8
137.09676	1.0
141.11485	1.6
142.08644	3.6
143.08575	1.6
145.10136	2.0
147.08049	1.7
147.11766	1.0
149.09677	1.3
157.10124	2.1
159.11833	1.0
161.09636	1.7
163.11203	2.0
171.11673	2.1
173.09552	1.3
182.15442	4.2
185.09593	1.3
187.11018	1.0
195.11673	1.9
199.11105	1.0
201.12679	1.5
209.16499	1.2
210.14915	4.3
217.12314	0.9
227.10706	1.6
227.14415	2.1
227.17896	1.4
237.16367	1.1
241.15964	2.4
245.15384	1.1
247.14795	1.3
255.13736	1.0
255.17476	3.1
255.30820	0.9
265.15939	3.8
268.21454	1.1
273.18500	4.6
278.27704	1.0
283.16922	14.0
284.17215	2.1
301.17978	100.0
302.18259	5.6
329.17615	1.6
347.18399	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05033	1.7
57.07074	1.9
58.06597	0.6
60.04511	1.0
70.06590	1.7
71.08625	1.3
71.46725	0.5
72.66165	0.5
74.06080	1.6
85.10185	0.5
88.07634	8.5
89.07954	1.1
102.09209	1.4
118.08687	1.2
122.08176	0.8
220.21893	0.5
284.29559	2.4
285.29791	2.0
298.30951	3.2
299.31360	3.7
328.73978	0.5
336.12442	0.5
346.33151	10.7
347.21933	100.0
347.33481	16.5
348.22235	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	347.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25143	0.6
56.05047	3.4
57.07073	3.7
58.06595	2.1
60.04523	0.8
65.32806	0.6
70.06592	1.0
71.08636	1.4
71.44759	0.5
74.06085	3.3
78.66140	0.5
85.10161	0.9
88.07629	13.4
89.07950	0.9
95.08591	1.0
102.09196	1.0
118.08653	2.2
122.08150	1.6
139.79010	0.7
145.10170	0.8
154.78185	0.5
172.65184	0.6
191.28654	0.6
232.16890	0.7
235.13043	0.6
243.29385	0.6
264.03516	0.6
278.85999	0.6
284.29486	2.0
285.29901	1.1
298.31076	4.8
299.31360	6.6
346.33163	12.3
347.21930	100.0
347.33444	21.5
348.22217	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	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
53.18747	0.5
56.05024	0.8
57.07058	1.0
57.75647	0.5
67.50741	0.5
69.38708	1.1
69.39111	1.5
74.06100	0.5
88.07629	3.0
104.99268	0.7
154.52954	0.5
249.14661	1.6
258.84445	0.5
265.14160	0.7
298.31061	1.2
299.31357	1.4
346.33191	4.1
347.21927	100.0
347.33374	5.6
348.22330	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	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
67.05489	1.8
69.07062	1.3
74.06092	1.1
81.07072	1.5
86.09693	2.9
88.07616	1.7
98.46178	1.3
113.00024	1.3
202.95009	1.3
346.33243	2.3
347.09518	5.9
347.21939	100.0
347.33752	2.8
348.22101	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	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01867	1.3
57.03424	1.9
59.56087	0.8
61.02922	2.7
63.15924	0.6
65.03932	2.0
65.50988	0.8
68.91803	0.7
69.03424	5.9
69.07071	16.8
69.19519	0.7
70.06580	2.2
71.05003	0.7
72.08146	1.0
73.02911	1.0
79.05479	3.4
80.00307	0.6
81.03415	3.6
83.01346	4.2
84.08126	1.0
85.02907	31.8
86.09713	1.3
91.03954	0.7
93.03409	1.8
95.04962	2.3
97.02890	8.6
97.06514	1.6
99.04453	1.1
107.04959	5.4
109.02897	3.2
110.03678	1.6
111.04446	3.0
112.07594	1.9
116.07040	1.1
123.04412	7.0
125.05995	26.6
127.03922	5.5
128.98691	0.6
135.05548	3.0
136.06154	2.3
140.07066	17.0
141.05440	1.0
145.04953	7.4
151.03909	17.8
151.04964	0.7
151.07507	1.7
153.73563	0.7
163.05984	0.9
168.06566	39.3
169.04965	100.0
170.05275	2.3
175.11948	0.7
180.08696	1.5
182.06737	0.8
182.08089	3.8
186.07648	6.4
186.11153	0.9
193.05009	0.9
198.18512	0.6
201.12312	0.8
210.07588	5.8
234.07578	1.0
276.08557	0.8
313.09180	1.1
348.14255	2.1
348.17844	2.7
348.99350	0.7
349.09235	0.8
371.30789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
60.04511	1.1
61.02924	3.6
65.03941	12.3
69.03436	6.5
69.07059	1.4
70.06602	4.4
72.78215	1.0
81.03440	3.6
83.01307	1.2
84.08171	2.3
85.02908	24.6
86.09715	4.1
86.84492	1.1
91.03973	2.1
93.03410	18.0
97.02890	6.9
99.04475	2.1
104.05336	1.6
107.04970	1.4
109.02886	2.9
110.03676	5.2
111.04447	27.0
116.07091	2.3
123.04496	1.2
123.08053	1.3
125.05993	31.3
127.03905	3.6
136.06195	3.0
139.50858	1.2
145.04941	6.4
151.03912	20.9
151.05032	2.0
151.07527	8.4
155.56796	1.1
168.06599	2.8
169.04965	100.0
170.05368	2.7
180.08644	1.7
186.11308	2.3
194.97575	1.0
201.12306	2.9
210.07643	1.1
217.53711	1.1
225.17111	1.0
229.69409	1.2
313.12732	1.6
348.10721	1.4
348.14343	4.1
348.18173	7.3
348.22913	1.4
349.09332	7.0
349.13293	1.1
349.18823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	5.3
57.03431	1.8
61.02922	3.7
67.05496	1.2
69.03437	6.0
70.06584	2.0
71.05006	0.7
71.44354	0.7
73.02905	1.9
74.45314	0.6
75.32117	0.8
81.03415	2.5
85.02402	1.6
85.02908	24.4
87.04474	1.1
95.04982	3.1
97.02893	6.8
98.97591	9.9
99.04475	1.1
102.00969	1.3
109.02872	2.4
110.97556	2.5
116.98634	4.5
119.68239	0.7
120.02029	0.7
121.11832	0.8
123.04431	100.0
124.04758	2.5
127.00665	0.8
127.03915	4.6
128.98605	1.7
130.93288	0.7
136.06218	3.6
140.07056	1.1
143.01917	2.4
144.01965	5.3
145.01688	2.6
145.04936	5.6
150.09128	1.4
151.03908	33.4
151.07553	1.3
152.04405	0.8
158.99637	2.0
161.01241	1.0
161.02960	2.9
162.03076	4.8
163.02754	2.3
168.06558	2.6
168.10213	5.7
169.04968	65.5
170.05296	2.3
172.34714	0.7
172.94354	2.4
173.01289	1.5
176.04730	0.8
177.00623	1.6
180.08687	4.9
185.09175	1.4
186.07715	4.3
186.09538	1.4
186.11235	8.2
187.06094	0.9
189.00725	0.9
190.95424	1.6
191.02228	1.3
199.63721	0.8
203.03999	2.4
204.02019	0.8
204.04234	3.1
205.03714	0.8
207.01767	0.9
216.97000	1.5
219.01768	2.7
219.13028	0.7
228.97104	1.1
232.96387	0.9
237.02826	3.0
244.96591	1.1
262.97595	1.6
274.08487	1.4
274.97580	2.9
280.07776	1.1
286.97519	1.2
287.97867	2.8
288.09836	1.5
288.99133	1.5
289.05890	1.5
292.98630	2.0
303.03946	1.3
303.07327	0.9
304.98541	1.6
305.98901	4.5
307.07028	3.1
315.49905	0.7
324.00098	2.9
324.97672	0.9
330.07355	3.5
331.07007	1.3
348.00827	0.8
348.06125	2.2
348.13107	2.9
348.16833	1.8
349.08151	1.7
349.14716	0.9
370.98163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81886	2.9
53.05452	2.9
55.05498	5.3
57.07072	6.9
60.04526	26.7
67.05517	16.5
69.03416	19.0
69.07055	4.8
69.54462	12.3
71.08612	5.1
79.05479	5.3
79.89192	3.8
81.07083	16.5
83.08617	8.6
83.43465	3.0
85.02905	10.8
91.05479	5.5
93.07039	7.8
95.01351	31.4
95.08592	7.4
97.02900	60.9
97.10179	6.4
106.46573	3.3
107.08600	6.4
108.04834	3.5
109.10112	3.9
113.02368	85.3
117.06964	3.5
121.10180	4.0
123.00796	63.7
125.02328	11.8
141.01833	51.9
143.03401	91.8
149.13248	10.1
159.11746	4.6
169.01328	100.0
170.01694	4.0
177.12735	4.6
187.02351	38.4
189.11037	4.4
195.13751	19.0
204.46040	3.5
205.68826	3.3
213.14812	7.4
264.87817	3.7
275.06100	3.4
277.21576	13.0
295.22635	4.6
330.26328	8.3
348.27408	13.9
349.19971	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	348.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48399	1.4
55.05518	3.3
57.03422	2.3
57.23676	1.5
60.21271	1.7
67.05508	5.4
69.03429	5.4
69.44382	6.5
71.04983	4.1
71.73616	1.7
79.05503	9.4
81.07061	20.9
83.04990	3.1
91.05472	4.1
93.07049	16.9
95.04960	2.8
95.08591	1.8
97.06566	1.9
98.34393	1.6
99.04465	6.4
104.87695	1.6
105.07046	22.4
107.08589	19.1
109.06512	3.2
117.07021	4.5
119.08605	7.3
121.06506	8.5
121.10156	26.2
127.07579	3.5
134.09691	2.4
135.08066	3.8
135.11703	8.4
139.91895	1.4
145.10133	27.3
147.11723	1.9
149.09683	2.7
163.11186	92.9
164.11563	3.3
164.14288	2.0
172.80992	1.4
173.09627	3.7
181.12242	9.7
191.10675	33.8
192.13885	5.4
209.11729	100.0
210.12103	4.1
227.12785	21.1
232.16957	5.9
250.18130	3.0
290.17761	1.9
313.12512	1.9
330.20731	2.7
348.18353	1.4
348.21634	10.9
348.25504	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	348.181
Annotation	Ungvedine
Peak:m/z	Relative Intensity
52.25991	1.1
53.03944	1.4
55.01867	5.1
55.05500	3.1
65.03940	1.1
66.33714	1.0
67.05502	15.5
67.58797	1.1
69.03442	6.6
69.10970	8.7
70.06604	6.8
73.09935	1.0
73.64878	1.0
79.05500	2.8
80.05016	2.1
81.03413	3.5
81.07064	6.4
82.06596	7.6
83.04992	2.9
83.07368	12.2
84.08144	36.2
85.02905	2.9
86.06065	1.9
91.05466	3.0
93.07044	8.7
94.06564	6.1
95.04964	11.6
95.08611	34.7
96.08111	2.6
97.02892	1.6
97.08930	1.8
98.06063	6.1
99.04460	1.9
101.36212	1.0
105.07037	5.6
107.07327	2.2
107.08574	2.1
108.08120	4.0
109.02875	3.9
109.06506	3.5
109.10149	9.4
110.09707	1.9
111.04425	2.8
119.08491	1.4
120.08067	4.4
121.06499	1.6
122.09689	15.8
123.04435	19.9
123.08064	10.5
123.11706	4.8
123.89055	1.2
124.11243	19.8
127.03925	6.8
132.08066	2.0
133.06479	2.3
134.09673	10.7
136.07584	4.4
136.11206	4.7
136.74702	1.4
137.05984	2.8
138.09117	6.5
138.24246	1.2
143.08577	1.4
146.09717	1.3
148.11198	3.9
150.09140	22.3
150.12811	2.4
151.07527	10.3
151.11172	5.4
152.07051	3.6
152.10709	17.2
160.11163	1.3
162.12784	1.6
164.07074	3.7
164.14345	11.1
165.07883	9.1
165.11496	10.9
166.08627	6.6
169.12260	4.5
171.08037	1.5
174.12788	2.9
176.10739	1.7
176.14363	1.9
178.08696	3.0
178.12270	2.1
178.15889	1.5
180.10201	47.8
190.12328	2.2
190.15939	2.3
192.13832	25.1
193.14133	1.9
200.95474	1.1
204.10204	3.5
206.19095	2.6
214.90111	1.1
220.13326	65.4
221.13666	3.6
231.10228	1.9
232.16972	36.1
233.17363	3.1
250.18016	19.6
251.18465	1.2
272.16296	1.6
276.19769	1.5
288.15958	39.6
289.16263	2.9
290.17447	4.5
292.19003	1.7
294.20569	1.8
302.21185	2.8
316.15445	73.2
317.15805	6.0
318.58618	1.1
330.16580	3.8
330.20609	15.2
330.24326	1.9
348.17987	100.0
348.21722	45.5
348.25375	25.2
349.18332	8.4
349.21948	3.2
349.25558	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	348.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25991	1.1
53.03944	1.4
55.01867	5.1
55.05500	3.1
65.03940	1.1
66.33714	1.0
67.05502	15.5
67.58797	1.1
69.03442	6.6
69.10970	8.7
70.06604	6.8
73.09935	1.0
73.64878	1.0
79.05500	2.8
80.05016	2.1
81.03413	3.5
81.07064	6.4
82.06596	7.6
83.04992	2.9
83.07368	12.2
84.08144	36.2
85.02905	2.9
86.06065	1.9
91.05466	3.0
93.07044	8.7
94.06564	6.1
95.04964	11.6
95.08611	34.7
96.08111	2.6
97.02892	1.6
97.08930	1.8
98.06063	6.1
99.04460	1.9
101.36212	1.0
105.07037	5.6
107.07327	2.2
107.08574	2.1
108.08120	4.0
109.02875	3.9
109.06506	3.5
109.10149	9.4
110.09707	1.9
111.04425	2.8
119.08491	1.4
120.08067	4.4
121.06499	1.6
122.09689	15.8
123.04435	19.9
123.08064	10.5
123.11706	4.8
123.89055	1.2
124.11243	19.8
127.03925	6.8
132.08066	2.0
133.06479	2.3
134.09673	10.7
136.07584	4.4
136.11206	4.7
136.74702	1.4
137.05984	2.8
138.09117	6.5
138.24246	1.2
143.08577	1.4
146.09717	1.3
148.11198	3.9
150.09140	22.3
150.12811	2.4
151.07527	10.3
151.11172	5.4
152.07051	3.6
152.10709	17.2
160.11163	1.3
162.12784	1.6
164.07074	3.7
164.14345	11.1
165.07883	9.1
165.11496	10.9
166.08627	6.6
169.12260	4.5
171.08037	1.5
174.12788	2.9
176.10739	1.7
176.14363	1.9
178.08696	3.0
178.12270	2.1
178.15889	1.5
180.10201	47.8
190.12328	2.2
190.15939	2.3
192.13832	25.1
193.14133	1.9
200.95474	1.1
204.10204	3.5
206.19095	2.6
214.90111	1.1
220.13326	65.4
221.13666	3.6
231.10228	1.9
232.16972	36.1
233.17363	3.1
250.18016	19.6
251.18465	1.2
272.16296	1.6
276.19769	1.5
288.15958	39.6
289.16263	2.9
290.17447	4.5
292.19003	1.7
294.20569	1.8
302.21185	2.8
316.15445	73.2
317.15805	6.0
318.58618	1.1
330.16580	3.8
330.20609	15.2
330.24326	1.9
348.17987	100.0
348.21722	45.5
348.25375	25.2
349.18332	8.4
349.21948	3.2
349.25558	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	348.2172
Annotation	Consabatine
Peak:m/z	Relative Intensity
54.46146	0.4
55.01864	1.6
55.05508	0.8
57.03431	0.9
57.07065	0.5
58.06603	0.7
67.05497	2.6
68.05023	1.1
68.70589	0.4
69.03424	1.4
69.07066	1.7
69.48528	0.4
70.06597	8.9
71.01310	0.7
71.08641	2.7
73.02905	1.1
76.03994	0.4
79.05489	2.0
80.04999	1.6
81.03384	0.6
81.05779	0.7
81.07043	1.3
82.06579	5.2
83.01360	1.0
83.07360	0.9
84.04488	1.8
85.02906	2.2
85.06559	0.7
91.05457	2.1
93.07041	2.9
93.39619	0.4
94.06007	0.5
94.06580	8.8
95.01326	0.4
95.04970	11.4
95.07378	0.5
95.08607	3.6
96.08124	1.4
97.02859	1.3
97.06519	1.7
98.06057	2.3
99.04465	0.5
99.08105	2.6
100.07639	0.5
105.07021	2.7
106.06551	1.0
107.08599	1.8
108.08092	1.8
109.06509	1.3
109.08880	0.6
109.10165	0.9
111.04468	0.8
111.08112	0.9
113.02383	0.7
117.07025	0.9
117.09085	0.6
119.08567	0.8
120.08093	2.4
121.06518	0.9
121.08868	1.0
121.10145	0.8
122.09675	8.9
124.07592	2.2
124.11239	9.9
125.05988	4.7
130.05020	0.9
130.73039	0.6
131.08557	1.1
132.08093	2.4
133.06485	0.5
133.08873	2.0
133.10115	1.5
134.09656	12.6
136.07559	2.0
136.11197	1.5
138.09193	0.7
139.03871	2.8
140.06920	0.5
141.01839	0.6
146.09612	1.0
147.10426	0.8
148.11211	4.3
150.09137	6.4
150.12749	0.6
151.09956	0.9
151.11189	1.6
152.10670	0.7
153.05461	1.3
157.10135	0.5
160.11194	0.8
161.08382	0.5
162.09155	0.7
162.12796	1.6
163.03824	0.5
163.07396	0.5
163.11194	1.4
164.10724	1.9
164.14360	19.5
169.12183	0.7
172.11220	0.6
173.11769	2.2
174.05496	1.8
174.12773	4.0
175.11186	0.8
176.10733	1.7
176.14374	4.1
178.12256	0.8
188.14359	0.7
190.12268	4.6
190.15912	4.4
191.12949	1.7
192.13832	44.6
193.14175	1.8
194.11665	0.6
204.13737	0.8
205.68028	0.6
214.15862	0.6
216.17465	1.4
216.32895	0.4
218.15503	0.6
220.09613	0.5
223.09714	1.1
232.16966	70.0
233.08141	1.0
233.17352	3.8
250.18045	31.8
251.18317	1.2
264.49646	0.5
272.16449	0.6
276.19586	2.7
279.08575	1.7
288.19357	0.7
290.17529	10.9
291.17792	0.7
292.19019	0.9
302.21127	4.6
330.17004	1.3
330.20615	26.8
331.20990	1.8
348.17819	7.3
348.21680	100.0
349.18127	0.8
349.21997	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	348.2536
Annotation	CAY10590
Peak:m/z	Relative Intensity
55.01864	0.2
55.05516	0.6
56.05039	0.2
57.18472	0.1
57.97783	0.1
59.19949	0.1
67.05513	0.8
68.05032	0.2
69.03431	8.3
69.07076	0.2
69.60748	0.1
69.61082	0.4
70.03810	0.1
70.06591	0.4
71.04638	0.1
71.05003	2.1
72.07008	0.1
73.18407	0.1
75.22479	0.1
79.05489	0.5
80.05033	0.2
81.03403	0.2
81.07062	0.8
81.44731	0.1
82.06588	0.4
83.04970	0.4
83.08625	0.3
84.08145	4.4
85.02904	0.2
85.06551	0.3
91.05477	0.4
93.07043	1.0
93.59015	0.1
94.06570	0.6
95.04972	0.7
95.08598	0.8
96.08137	0.3
97.06541	0.6
98.06038	0.2
98.09663	0.1
98.23392	0.2
99.04461	3.4
99.08075	0.2
105.07010	0.6
107.08623	0.7
108.08132	0.2
109.06532	0.3
109.10152	0.5
111.04457	0.1
111.08085	9.4
112.07668	0.1
112.08420	0.2
117.06994	0.2
119.08568	0.3
120.08105	0.2
121.06501	0.3
121.10165	0.5
122.09677	0.7
123.08075	0.2
123.11729	0.1
124.07570	0.1
124.11241	1.0
125.09626	0.8
126.12819	0.5
126.73039	0.1
131.08574	0.5
133.08957	0.2
133.10135	0.5
134.09674	0.8
135.08084	0.5
136.07584	0.2
136.11211	0.4
137.09610	0.2
138.12782	0.4
139.07545	7.8
140.07893	0.2
140.14351	2.3
143.08496	0.1
145.10123	0.1
147.08177	0.1
147.11673	0.2
148.11214	0.3
149.09613	0.9
149.13245	0.2
150.09166	0.4
151.11177	0.1
152.10663	0.1
152.14352	1.0
153.09120	0.4
159.11684	0.3
160.11154	0.1
162.12808	0.3
163.11185	0.2
164.14355	1.0
166.15913	0.3
174.12770	0.3
175.11240	0.2
176.14371	0.7
177.12740	0.7
187.11171	0.2
188.14311	0.1
190.12334	0.2
190.16011	0.6
191.16739	0.1
192.13818	1.9
195.13812	3.8
205.12244	0.3
206.15532	0.1
214.15904	0.1
218.11720	0.1
220.13266	0.2
220.20480	0.1
221.11751	0.7
223.13304	4.4
224.13631	0.3
228.17305	0.1
232.16971	2.9
233.17332	0.2
250.18050	1.9
260.16522	0.1
261.62439	0.1
276.15924	0.4
288.15985	0.1
290.17633	0.7
292.19077	0.4
302.21008	0.2
316.15323	0.2
322.14920	0.1
330.20654	1.3
330.24222	0.2
348.21863	4.3
348.25320	100.0
349.22430	0.4
349.25662	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83866	2.7
52.39805	3.0
55.01858	3.9
55.05510	24.3
57.03432	8.2
57.07069	3.7
62.12312	2.9
67.05158	6.0
67.05503	73.7
69.03427	3.4
69.07075	21.2
71.04996	4.6
71.08620	11.3
79.05503	25.2
81.03432	2.9
81.07062	53.4
82.06591	4.4
83.04961	5.3
83.08613	26.4
85.06527	5.2
90.79670	3.0
91.05473	17.4
92.28835	3.0
93.07050	32.3
94.06599	5.3
95.04959	12.0
95.08601	24.8
97.06516	9.6
97.10163	12.9
99.08119	7.1
103.05463	3.2
105.07013	18.3
107.08589	19.8
109.06508	3.6
109.10159	55.5
110.10515	3.2
111.08062	8.1
117.07025	8.2
119.08576	12.6
119.33984	3.0
121.10148	14.3
122.09686	2.9
123.11730	7.2
124.11208	7.0
124.42326	2.9
125.09630	10.1
129.06955	3.6
131.08580	4.7
133.10179	14.0
134.09625	4.1
135.08080	6.3
135.11691	11.2
137.09671	3.7
143.08524	3.2
145.10129	5.8
147.11621	6.0
149.09535	3.3
149.13248	18.4
151.11185	5.6
155.10651	20.1
157.47299	3.3
159.11737	8.5
161.13202	4.1
163.11182	6.1
164.14323	8.7
165.09105	4.7
169.49345	3.0
173.10335	5.9
173.11745	100.0
173.13235	5.6
176.14235	4.1
177.12686	5.3
179.01642	3.8
179.14279	4.5
181.12160	3.6
189.09557	3.4
189.11224	18.6
190.09470	4.8
190.15854	4.6
192.13838	21.9
193.14171	4.0
195.13786	45.6
213.14876	24.6
232.16933	33.0
250.18083	19.9
259.20474	4.2
275.20084	5.2
277.21606	39.6
288.04892	3.1
295.22540	18.2
330.20612	11.8
331.09933	3.9
331.21011	3.6
333.42981	3.5
348.14386	6.2
348.18259	5.2
348.21808	50.2
349.19690	9.6
349.23584	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	349.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	0.3
69.03446	0.4
72.08110	0.3
78.70219	0.3
81.03394	0.5
81.07045	0.4
85.02913	0.9
86.09698	0.4
91.13089	0.3
97.02878	0.3
98.97602	0.5
103.04633	0.4
116.98591	0.4
127.03917	0.4
128.98553	0.4
141.59903	0.3
146.99617	0.5
151.07538	0.4
176.10809	0.7
178.12222	2.4
186.11240	0.8
187.09442	7.7
187.11369	0.6
187.13200	0.4
206.11765	1.2
245.93401	0.3
270.54941	0.4
273.02805	1.1
291.03815	0.9
332.14825	0.5
349.09198	4.8
349.14682	100.0
350.09213	0.5
350.10709	0.5
350.15512	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	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	14.6
58.45899	12.4
64.94952	13.2
67.05501	16.9
70.17460	13.7
71.45148	15.4
81.07058	24.6
91.05443	21.5
93.07059	30.7
95.08611	14.5
104.99312	15.9
105.07042	13.1
107.08604	14.0
131.08524	18.0
133.10414	14.0
171.11909	20.5
214.11879	21.2
275.20041	39.8
349.19659	100.0
349.24127	32.3
350.16116	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1776
Annotation	Imidocarb
Peak:m/z	Relative Intensity
53.99656	16.0
56.96567	35.7
62.60073	19.2
67.05485	24.1
69.07056	26.0
71.45241	21.9
79.05481	20.9
81.07063	44.1
91.05516	18.8
93.07071	34.9
94.13425	17.9
95.08599	20.9
96.15159	19.5
104.99297	31.5
107.08575	20.0
109.10167	23.8
144.16235	20.2
145.10175	24.4
185.68411	19.2
214.11795	33.9
229.83006	22.9
275.20108	67.8
331.15570	20.2
349.17328	100.0
349.23868	27.3
367.18027	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	36.9
69.07069	6.1
70.06580	6.2
75.55959	5.1
79.05484	6.4
81.07059	9.8
88.07602	4.5
91.05414	4.4
95.08643	4.6
104.99271	7.0
105.03413	9.0
109.06557	6.4
110.97584	6.0
128.98615	12.1
143.00238	4.1
149.06023	13.0
163.03911	6.6
199.06439	6.2
216.07176	4.1
217.07608	7.7
219.10178	7.3
228.23257	10.5
231.09102	4.4
239.09589	4.5
249.67354	5.2
254.94557	5.6
255.09081	13.5
267.72372	5.1
270.38120	4.3
273.10144	5.1
331.15787	50.5
349.16931	100.0
350.26932	13.7
367.17944	23.5
372.18488	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05518	2.9
57.03426	1.3
67.05500	3.9
69.07078	2.6
70.53115	0.5
79.05490	4.0
81.07059	4.5
82.42941	0.4
83.08605	0.8
91.05485	3.2
93.07053	3.8
94.06546	0.7
95.04951	1.4
95.08627	2.6
97.06528	1.2
97.10183	0.5
105.07025	4.8
106.06567	1.2
107.04939	1.0
107.08589	3.1
108.08107	1.6
109.06517	0.5
109.10139	1.5
117.07024	1.3
119.08612	2.8
120.08111	0.7
121.06533	0.6
121.10111	1.0
122.09702	0.5
123.11721	0.6
131.08580	2.6
133.09219	0.5
133.10121	3.1
134.09653	0.5
135.11699	1.1
143.08597	0.6
145.10097	3.5
147.11684	1.6
149.09627	0.7
159.11719	2.3
161.13258	0.6
163.11172	0.8
164.14374	0.9
171.11647	0.8
173.13231	0.7
178.15932	5.0
190.15849	0.9
211.14813	0.5
236.16464	5.9
239.17934	1.1
257.18988	2.3
260.23770	0.7
261.14725	0.5
275.20135	4.0
288.23163	3.5
298.28699	0.4
306.24301	9.1
332.25870	7.4
347.35083	0.4
349.19846	100.0
349.23569	6.1
349.28583	5.9
350.20178	6.1
350.24365	0.7
350.29156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78231	0.3
70.60364	0.4
70.71941	0.9
75.78591	0.4
94.37171	0.4
101.23344	0.4
116.03407	0.4
116.94152	0.3
121.35412	0.4
130.05927	0.3
133.49872	0.4
137.05722	1.3
168.65753	0.4
260.03802	0.4
261.14603	1.3
283.40958	0.4
331.18951	0.4
333.05991	0.4
349.19836	100.0
350.20139	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77130	0.8
57.07082	1.0
58.56448	0.8
58.96872	0.8
69.70316	0.8
70.07240	1.6
79.05479	1.1
81.07051	1.1
92.95445	1.0
95.08602	0.9
104.99296	1.1
111.37453	0.9
133.10339	1.2
174.06174	0.8
200.17712	1.0
223.33401	0.8
280.56488	1.0
286.29990	1.5
305.21103	1.6
348.33875	5.3
349.19833	100.0
349.34070	2.0
350.20206	7.6
350.26886	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	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93151	0.7
51.23004	0.6
53.45478	0.6
59.43516	0.6
65.05170	0.6
67.01860	0.7
67.05511	1.6
67.60694	0.6
69.07079	1.1
70.06590	1.1
70.42203	0.9
70.42538	1.1
79.05488	1.5
81.07057	2.8
84.61961	0.6
91.05476	1.6
93.07045	2.4
95.04959	0.7
95.08614	1.0
105.07018	1.1
107.08582	1.4
119.08599	1.3
128.26031	0.7
133.10229	1.0
137.05745	1.5
178.15863	0.7
183.09201	0.7
214.91989	0.6
221.11493	3.5
235.13031	1.1
242.24828	0.9
275.20334	0.8
348.31351	0.8
349.19836	100.0
350.16049	1.4
350.19989	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	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14502	0.3
52.24640	0.3
57.07069	1.1
69.47836	1.5
71.08619	0.5
72.04524	1.2
81.07040	0.5
85.46876	0.4
89.06030	1.8
93.07044	0.3
95.08633	0.5
98.23534	0.5
107.08626	0.5
112.99990	0.5
133.08618	0.7
135.08080	0.4
151.09717	0.5
170.15352	0.5
179.10664	0.4
198.14902	2.8
205.94604	0.3
207.92210	0.3
220.57439	0.3
226.00287	0.3
232.85681	0.3
260.32874	0.4
268.52335	0.4
282.41760	0.4
346.41827	0.4
349.23502	100.0
350.16028	0.7
350.23779	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	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
67.05502	0.6
69.87234	1.3
70.75879	0.5
81.07062	1.2
91.05515	0.6
93.07060	0.7
95.08633	1.1
98.23445	0.6
105.07069	0.5
107.08582	0.7
109.10142	0.6
115.47080	0.5
119.08569	0.7
123.08095	0.6
131.08644	0.5
135.37877	0.5
148.24879	0.5
149.13356	0.5
155.63094	0.4
157.31088	0.5
191.14188	0.6
232.79585	0.5
319.08356	0.5
349.23499	100.0
350.23868	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05926	0.3
50.42268	0.3
51.34348	0.4
61.40326	0.3
69.68365	1.2
80.94863	0.4
89.06030	0.6
208.17767	0.3
214.12422	0.5
237.16736	0.4
291.67361	0.5
349.23480	100.0
350.23819	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
54.26500	2.9
55.01872	17.1
55.05516	50.1
57.03445	19.3
65.03922	5.0
67.05508	58.3
69.03421	4.7
69.07080	17.7
69.58379	14.1
71.04997	8.6
75.75688	3.4
79.05500	100.0
79.74744	3.3
81.03444	4.7
81.07067	46.5
83.04985	32.7
83.08620	10.9
85.06542	3.7
88.07616	5.2
91.04961	3.8
91.05491	48.5
93.07053	61.4
95.04958	12.5
95.08609	25.0
97.06519	11.8
97.10190	16.0
99.08092	3.1
105.04520	3.5
105.07033	36.9
107.04961	30.8
107.08605	73.8
109.06525	5.1
109.10181	24.2
111.08101	5.0
117.07000	14.5
119.08592	23.4
121.06540	4.6
121.10169	23.7
123.11671	4.0
125.09690	16.1
131.08571	19.2
133.10153	22.2
133.51762	3.4
135.08115	9.5
135.11700	7.1
137.09598	4.3
143.08577	4.1
145.10159	15.3
147.11685	18.2
149.08485	4.8
149.09637	58.2
149.13246	4.0
159.11713	10.4
161.13254	4.7
163.11169	5.2
163.14877	6.9
169.12288	5.4
171.11864	5.6
173.11821	7.9
173.13261	7.2
175.11214	4.1
175.12851	3.3
177.12631	5.0
178.19276	2.8
189.11220	9.4
191.14325	4.0
205.12341	4.8
209.15349	9.6
215.17873	3.9
229.19495	6.9
247.20633	3.9
257.19043	10.8
275.20102	56.3
285.29105	3.7
316.92899	3.4
324.09775	3.4
348.33740	5.0
349.13763	7.4
349.19714	20.0
349.23682	66.6
349.34021	9.7
350.15869	13.4
350.23666	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
53.03942	1.7
55.01855	2.3
55.05516	8.9
55.95549	1.0
57.03438	38.0
57.07064	2.6
57.40144	0.9
58.64833	0.9
59.04988	1.0
67.05507	27.4
69.07074	7.4
71.04979	1.5
73.46024	1.1
77.03914	1.1
79.05493	29.5
81.03411	1.4
81.06580	1.1
81.07052	23.8
83.04971	3.0
83.08599	5.0
85.06535	10.3
91.05481	39.7
93.07050	33.8
95.04984	5.3
95.08602	21.6
97.06544	3.1
97.10190	2.6
99.04445	7.7
100.83707	1.0
105.04547	2.1
105.07025	28.2
107.04956	3.7
107.06118	2.3
107.08597	18.9
109.06534	10.3
109.10170	6.7
111.08047	2.2
117.07018	11.6
119.08591	23.5
121.06515	1.9
121.10134	9.5
123.08041	3.0
125.94418	1.1
127.04101	1.1
129.06989	3.6
131.08583	19.5
133.10126	16.2
135.08086	5.1
135.11697	9.0
137.09616	2.7
141.06943	1.3
143.08557	4.2
145.10114	14.0
147.11688	7.4
149.09583	3.0
149.13243	1.7
153.12711	1.8
157.10199	2.1
159.11697	6.6
161.13264	3.3
163.11124	1.2
169.10173	1.3
171.11819	2.4
173.13289	3.7
175.14832	1.9
177.12663	1.3
181.15724	1.1
183.11662	1.6
185.13210	3.9
191.14201	1.1
201.16330	6.9
203.14255	3.8
209.15332	1.8
219.17438	100.0
220.17677	6.1
257.18988	3.6
275.20053	18.9
276.20499	1.6
349.23859	26.6
349.33936	2.2
350.24258	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91261	0.9
55.01872	4.7
55.05510	13.7
56.96552	1.4
57.03177	1.4
57.03438	15.5
57.07061	3.1
58.76691	0.8
65.03957	1.1
67.05505	26.9
69.03426	2.1
69.07068	17.9
69.64808	3.1
71.04989	2.3
77.03878	0.9
79.05493	21.6
81.03401	1.4
81.07052	32.8
82.07365	0.9
83.04975	6.3
83.08615	4.6
85.06539	1.2
87.24927	0.8
91.05476	21.8
93.07041	31.6
95.04967	10.6
95.08604	19.7
96.08926	0.9
97.06511	4.7
97.10160	2.7
98.22743	1.6
105.07018	28.5
107.04955	10.5
107.07847	1.1
107.08581	17.1
108.08906	1.0
109.06520	10.3
109.10169	8.0
111.08090	2.0
117.07006	9.2
119.01517	1.1
119.08588	15.2
121.06496	10.6
121.10138	10.8
123.08061	6.5
123.11691	1.7
125.09592	1.1
129.07016	3.6
131.08574	14.8
133.06502	3.5
133.10126	16.8
135.08061	4.9
135.11700	5.7
137.09637	2.7
137.13237	1.3
139.11249	0.8
141.07010	1.2
143.08580	3.3
145.06483	2.4
145.10115	11.9
147.08052	3.0
147.11694	9.2
149.09615	5.8
149.13260	3.4
151.11151	5.5
155.08531	1.4
157.10144	2.8
159.08060	2.1
159.11678	8.8
161.09654	2.6
161.13263	3.6
163.11143	6.4
163.14888	1.0
165.12891	1.1
169.10123	2.0
171.11789	3.8
173.09691	2.7
173.11986	0.9
173.13243	5.9
175.11229	3.2
177.12758	3.0
183.11684	2.3
187.11166	2.7
191.14363	2.9
197.13260	1.8
201.12805	2.8
205.15909	1.1
205.19508	1.1
207.13832	4.0
211.14594	0.9
213.08115	1.1
215.14354	1.5
215.17929	1.3
219.13872	4.4
229.07449	2.2
229.19469	3.0
231.08867	1.4
231.17390	1.1
232.17073	1.1
233.19124	1.0
239.17952	3.2
247.08594	1.4
247.20570	4.5
257.19006	12.5
275.20053	100.0
276.20413	8.7
293.21112	10.2
331.22711	1.5
349.17154	3.4
349.23758	43.9
350.20316	1.1
350.23798	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05507	2.2
57.07061	5.7
67.05496	3.8
69.07068	3.1
70.41906	1.5
71.08645	2.4
71.69479	1.4
79.05480	3.8
81.07037	6.6
83.08607	1.6
85.06529	1.8
89.06039	2.8
93.07048	2.5
95.08591	4.3
105.07018	2.0
107.08574	2.9
109.06521	16.9
119.08634	2.6
121.10155	1.6
123.08064	23.4
133.10115	2.3
135.08069	3.3
149.09512	1.6
151.09631	3.7
179.14307	100.0
180.14653	3.5
193.15907	3.3
261.09534	1.5
269.99658	1.4
331.26355	2.7
349.27383	97.1
350.27734	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	349.2736
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
55.01870	0.4
55.05295	0.4
55.05516	4.4
57.03466	0.6
57.07064	1.5
59.04981	0.4
64.98117	0.3
67.05511	4.1
69.06710	0.6
69.07069	8.4
69.20886	2.0
71.04982	1.1
71.08640	0.4
73.06559	0.5
74.88085	0.4
79.05489	2.7
81.07052	7.5
83.04991	0.5
83.08624	2.9
85.06544	0.8
91.05479	1.5
93.07037	4.1
95.08611	6.1
97.06525	1.4
97.10168	0.6
98.22691	0.8
103.58014	0.3
105.07025	2.1
107.08595	4.4
109.06522	8.3
109.10146	2.7
111.08086	1.4
114.14835	0.3
119.08598	2.8
121.06469	0.4
121.10126	2.6
123.08069	54.4
123.11715	1.5
124.08407	1.1
125.09595	0.6
131.08585	0.4
133.10123	2.0
135.08034	4.1
135.11696	2.0
137.09630	3.0
137.13263	0.4
145.10106	0.7
147.11684	1.6
149.09619	1.1
149.13298	1.1
159.11763	0.6
161.13264	0.9
163.11205	0.5
165.12747	0.6
173.13379	0.4
179.14305	5.4
180.46158	0.5
219.66034	0.4
233.18980	0.7
261.75940	0.4
275.19971	1.0
289.25146	0.9
293.21097	14.1
294.21506	1.2
303.26904	0.7
307.22528	0.7
331.26215	1.9
349.27368	100.0
350.27808	6.5
370.35538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.00477	0.5
55.01858	0.8
55.05510	5.2
57.03420	0.8
57.07069	1.9
67.05506	4.4
69.07066	9.1
71.04984	1.3
71.08640	1.2
71.10693	0.8
79.05479	3.2
81.07054	9.5
83.04982	1.2
83.08629	3.2
85.06550	0.8
89.06026	0.8
91.05472	1.5
93.07034	5.4
95.04948	0.6
95.08591	6.9
97.06511	1.8
97.10172	0.8
99.08101	0.8
105.07029	3.0
107.08606	5.3
108.48201	0.6
109.06524	9.7
109.10132	3.2
111.08064	2.2
119.08570	4.2
121.06473	0.7
121.10137	4.2
122.07275	0.6
122.75755	0.5
123.08064	67.9
123.11687	1.9
124.08409	1.4
131.08556	1.0
133.10153	2.7
135.08060	4.9
135.11679	1.7
137.09602	4.1
137.13240	0.5
145.10091	1.0
147.11713	1.8
149.09612	1.2
149.13252	1.7
159.11696	1.2
161.13271	1.4
165.12752	1.1
171.11778	0.5
177.12737	0.8
179.12810	1.0
179.14299	9.4
181.26283	0.5
233.18921	0.9
275.20023	2.4
276.14276	0.6
289.25189	1.1
293.21103	16.4
293.24338	1.1
294.21359	1.6
302.04910	0.6
307.22720	0.9
331.26199	3.3
349.27353	100.0
350.27609	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	350.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11312	0.6
57.03453	0.8
63.32226	0.6
63.64177	0.6
69.03407	0.8
69.57545	2.3
70.06577	2.3
72.08138	0.6
74.18035	0.5
82.99852	0.9
83.04973	1.2
84.08141	1.5
85.02898	1.0
91.93206	0.6
98.22717	0.9
98.97566	1.4
101.00875	10.4
110.07165	1.6
113.00868	7.0
113.21923	0.8
119.01917	18.7
120.02051	0.7
127.03909	0.9
129.10283	1.0
131.01895	13.9
132.02060	0.6
133.03491	0.7
136.06178	35.0
137.02953	2.8
137.06546	0.8
139.02422	0.9
143.01901	2.8
147.01378	0.8
155.01875	2.9
157.03456	12.9
157.04666	0.9
158.03223	1.5
158.99734	0.7
161.02965	5.2
167.01868	4.3
170.02672	0.7
173.02974	4.3
174.14848	0.7
175.04472	4.2
175.11888	0.7
176.04158	22.7
177.04265	1.8
185.02954	15.2
186.03192	1.0
188.03755	7.6
194.05231	44.6
195.05394	2.4
203.04051	1.5
204.03700	2.0
209.05293	1.8
212.06270	3.4
213.12486	0.8
217.04332	0.9
218.05222	36.2
219.05415	2.8
221.05072	1.0
222.04750	1.1
226.09560	0.7
230.05219	29.3
231.05458	2.5
232.06752	1.2
233.05035	2.5
236.06276	18.5
237.06354	0.8
244.06863	1.8
246.04715	2.0
248.06285	10.4
254.07317	4.2
260.06354	1.5
264.05685	0.9
278.07422	0.7
308.08383	6.7
309.08545	1.2
326.09418	5.6
327.09738	0.7
350.09430	100.0
351.09647	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	350.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
56.96560	3.5
61.02915	2.2
65.03938	5.8
67.05503	1.5
68.99796	1.5
69.03444	5.0
70.06597	2.0
70.57303	1.4
70.57632	1.6
71.04977	1.1
72.08157	1.2
81.03429	3.5
82.06590	0.9
83.04970	2.7
84.08124	1.3
85.02904	16.0
87.04478	0.9
91.03995	1.0
91.05520	1.1
93.03407	3.7
93.07047	1.6
97.02883	5.1
97.06519	2.2
98.06037	1.2
98.97594	3.0
99.04463	1.7
107.04952	1.2
109.02884	1.4
110.09695	1.0
110.97585	1.2
111.04443	28.2
111.05168	1.7
116.98654	1.1
121.03209	0.9
121.03941	4.5
124.08688	1.1
124.11258	1.1
127.03905	3.8
128.98561	1.7
134.09663	1.2
139.03902	79.4
140.04263	2.3
141.05554	1.0
145.04994	3.2
146.99657	2.3
149.82921	0.9
150.09071	0.9
152.10721	1.9
153.05475	4.3
153.06546	1.9
153.09129	1.7
156.04152	3.2
162.12791	1.1
170.11751	2.2
170.99631	1.0
171.06531	100.0
172.06877	3.5
178.12283	1.3
181.04964	1.5
188.12810	7.2
189.00720	5.8
202.05598	0.9
203.94330	1.0
206.11725	1.5
207.01772	7.0
208.13307	1.1
215.02344	1.2
224.12889	1.1
229.15768	0.9
231.01804	2.4
249.02901	2.0
273.02850	4.1
291.03851	4.0
327.03867	2.6
350.09604	2.1
350.15860	19.2
350.19656	9.7
351.06125	1.4
351.16165	1.8
351.19925	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	350.1598
Annotation	Seneciphylline N-oxide
Peak:m/z	Relative Intensity
53.03942	0.8
55.01874	1.3
55.05506	0.9
56.05026	0.5
59.05001	0.4
65.03934	0.4
67.05508	3.1
68.05039	2.5
69.03424	1.7
69.07025	0.3
70.06593	7.0
71.04996	2.7
79.05492	1.5
80.05005	0.8
81.03410	0.8
81.07050	1.3
83.01344	2.5
84.04501	1.7
84.08145	0.8
86.06075	0.6
91.05473	2.3
93.07063	2.7
94.06562	1.4
95.04976	1.4
95.08618	3.5
96.04495	11.0
96.08119	0.6
98.06057	1.8
99.04476	3.8
100.03993	0.6
103.65389	0.4
105.07036	2.2
107.04911	0.6
107.08607	0.9
108.08100	0.6
109.06509	1.7
110.06052	0.4
110.09708	0.8
111.08073	0.6
112.03962	2.0
114.05532	0.7
115.03954	0.5
117.07011	0.6
118.06558	0.5
119.08579	1.0
120.08099	2.5
121.06516	1.7
121.08911	0.7
122.06055	1.0
122.09663	1.3
123.04432	1.0
123.08038	1.2
124.07598	1.6
126.05505	0.8
127.03936	2.1
127.07563	0.6
128.06215	1.0
129.07053	0.9
131.08562	0.7
132.08078	0.4
133.06544	0.4
133.10107	0.8
134.06050	0.4
134.09686	0.7
135.08057	0.7
136.07570	3.5
136.11206	0.8
137.06012	1.0
138.09146	1.6
138.12846	0.5
139.07599	0.6
141.05539	0.5
143.03424	0.6
143.08578	1.9
145.06535	0.5
145.10130	1.0
146.06044	0.4
147.08043	0.4
148.07562	7.4
148.11229	1.6
149.08400	1.9
150.09149	4.2
150.12772	1.1
151.03903	1.8
153.05467	0.6
155.03391	15.1
155.04672	0.8
155.06989	2.5
155.08376	0.4
156.03760	0.5
159.08070	0.4
161.05960	0.4
161.09554	0.9
162.09140	1.3
163.07674	0.4
164.06992	0.7
164.10759	0.4
164.14368	0.7
164.95810	0.4
165.05460	2.0
166.08638	0.8
166.12239	1.3
167.07018	0.8
167.09413	1.8
171.08130	0.9
173.09633	1.2
174.09113	0.7
175.07536	0.7
175.11188	1.3
176.10675	4.1
178.12302	1.3
183.06543	3.4
188.10623	0.9
189.09062	2.0
190.12303	0.5
193.08589	0.7
194.11766	1.7
199.07509	0.6
201.09187	0.5
202.12334	0.7
203.10660	1.3
204.10262	1.2
205.12259	0.8
207.06503	0.7
217.08620	0.5
222.11281	1.4
222.14806	0.7
226.12219	0.6
228.13803	0.7
231.08112	0.6
231.10190	3.6
233.11783	0.9
236.12823	0.6
241.10132	0.4
244.13194	0.5
246.14911	1.6
248.12965	0.5
254.11768	1.1
256.13342	1.3
258.11322	0.5
258.14798	0.5
260.12973	0.5
272.12854	1.0
273.09131	0.6
274.14383	0.8
276.12479	0.8
276.16153	0.9
276.19565	1.4
286.14420	1.6
289.08453	0.5
290.17328	0.5
304.15530	1.8
306.17111	0.6
314.13959	2.1
319.09616	3.0
332.14868	3.5
350.15973	100.0
350.26883	13.1
351.12009	1.5
351.16275	7.9
351.27185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47780	0.3
55.01870	1.1
55.05507	0.8
56.05017	0.5
56.96561	0.4
58.99567	0.3
59.05003	0.4
60.95176	0.3
67.05496	1.0
68.05010	0.4
69.03424	1.7
69.88701	1.3
70.06593	10.2
71.04968	0.5
71.40273	0.4
76.03992	0.8
79.05496	0.4
80.05030	0.4
81.07053	0.8
82.06594	0.6
83.04992	2.3
83.07364	1.4
84.04504	7.1
84.08147	2.5
85.04842	1.1
86.09752	0.6
91.05478	0.4
93.07042	0.7
94.06567	0.6
95.04967	0.7
95.08590	3.3
96.04452	0.5
97.06542	0.5
98.06033	1.3
102.05553	0.5
105.07032	0.7
107.08576	0.6
110.09687	0.5
112.07588	0.6
117.24047	0.3
120.08086	2.0
120.76614	0.4
122.09660	1.0
123.04417	1.2
123.08087	1.0
124.11245	0.8
125.06015	0.5
125.09662	1.8
126.05521	0.6
126.09131	0.5
127.07539	0.5
128.98596	0.7
130.05000	3.6
131.05339	0.7
133.06526	0.4
134.09624	0.6
136.11249	0.4
138.09154	0.7
140.10582	0.4
142.03162	0.4
150.09129	1.0
151.07506	1.1
152.10715	1.1
166.08684	0.6
167.11836	0.5
168.10255	0.8
180.10194	3.4
181.11604	0.6
182.11774	2.9
195.11298	0.8
204.10104	0.5
220.13304	0.9
226.89433	0.4
248.12936	0.5
266.67184	0.4
272.16315	0.5
273.02829	1.2
276.12292	0.4
290.17438	1.2
291.03958	1.0
312.14447	0.7
314.23172	1.6
318.16998	36.5
319.17236	2.7
327.03906	1.0
332.15027	0.5
332.24344	1.3
350.19611	100.0
351.08682	0.4
351.19949	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	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.9
62.83895	1.3
67.05523	6.0
69.03423	6.5
69.07063	4.5
79.05484	10.2
81.03422	1.2
81.07066	8.9
83.04974	1.5
85.02899	15.1
85.44688	1.3
86.09673	2.9
91.05479	12.4
93.07044	61.5
94.07399	1.7
95.04955	4.8
95.08604	19.2
97.02888	3.3
97.06533	4.4
99.04458	1.6
105.07050	6.2
107.08595	78.9
108.08932	3.6
109.06506	2.7
109.10117	6.1
111.08036	1.6
119.08594	1.8
121.76599	1.2
123.84940	1.2
127.03902	3.1
128.83688	1.1
133.10152	1.8
135.11691	56.9
136.12030	1.6
145.04959	3.9
146.35205	1.3
153.12741	13.7
163.06088	2.3
170.11700	1.5
177.12675	1.6
212.77640	1.2
350.19852	4.2
350.23239	100.0
351.23624	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98178	2.2
55.01849	2.0
55.05516	7.7
57.03434	3.1
57.07084	1.9
61.02938	2.4
67.05500	7.2
68.23695	1.7
69.03422	5.6
69.07072	9.0
70.75712	2.7
72.27347	1.9
79.05494	12.4
81.07050	21.0
85.02905	15.1
85.06586	2.7
86.09679	1.9
87.04478	1.7
91.05464	14.4
93.07047	100.0
94.07355	3.4
95.04989	4.4
95.08614	10.2
97.02898	2.1
97.06526	6.5
104.33782	1.8
105.04494	1.7
105.07033	7.5
107.08595	59.5
109.06504	2.0
109.10153	6.4
119.08576	4.4
120.08115	7.7
127.03902	3.0
133.02832	2.8
135.11694	93.0
136.12033	4.2
137.13272	10.6
145.04997	2.6
153.12750	10.5
163.06059	2.8
170.11891	2.2
171.13786	4.1
189.09126	2.7
189.12363	1.8
194.11859	2.0
278.17477	2.3
350.15903	3.9
350.19418	18.9
350.23245	50.3
351.19797	2.2
351.23581	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	350.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05509	2.9
56.05042	4.3
57.03427	0.8
57.07080	3.8
60.04530	100.0
60.31556	0.4
61.04864	0.5
67.05506	7.6
68.05025	0.9
69.07078	5.3
69.25021	1.8
70.06596	2.3
71.05003	0.8
71.08633	4.9
72.04524	1.4
74.06079	2.1
79.05503	5.2
80.05025	1.9
81.03437	1.6
81.07059	10.5
81.07506	0.8
82.06589	1.3
83.04993	0.9
83.08626	3.3
85.06500	0.5
85.10194	1.1
86.06058	1.0
86.19685	0.5
90.05571	1.0
91.05486	3.1
93.07047	4.6
94.06567	1.2
95.04979	1.2
95.08610	7.2
96.08155	1.6
97.06557	1.5
97.10183	1.4
98.06030	0.4
105.04469	0.5
105.07037	3.4
106.06600	1.1
107.04951	0.4
107.08590	2.5
107.33908	0.4
108.08139	1.5
109.06535	1.2
109.10165	2.8
110.09684	0.5
111.11710	0.6
117.07071	1.0
119.08575	1.7
121.10154	2.8
122.09699	1.1
123.08123	0.9
123.11723	1.3
131.08553	0.6
133.10155	1.1
134.09581	0.5
135.08035	0.6
135.11697	1.9
137.09607	0.7
137.13315	1.1
138.09213	0.5
141.12747	1.6
149.13319	0.7
155.14310	0.9
178.74210	0.4
188.12788	0.8
205.19528	0.5
223.20625	0.5
248.23813	0.6
249.22133	0.7
260.23819	1.0
261.22122	1.2
266.24915	1.1
278.24863	3.8
284.25769	0.8
296.25879	6.8
314.26913	11.0
315.27295	0.8
332.27979	13.4
333.28064	0.7
350.29028	64.3
351.21362	2.1
351.29355	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	1.9
56.96566	27.2
57.46660	1.6
63.34406	1.8
63.67975	1.5
70.17345	2.9
95.61313	1.6
98.97592	21.4
99.08118	1.7
109.43607	1.7
110.97553	3.9
116.98621	10.8
119.01914	2.3
124.99080	4.8
128.98613	4.3
134.05325	1.6
134.99646	3.1
143.00157	11.9
146.99625	3.0
151.16789	1.8
152.93297	1.7
158.99678	2.9
161.01233	7.8
168.92073	1.9
170.99637	18.7
171.01013	2.5
171.05054	3.6
173.02902	2.2
177.00810	2.8
189.00711	100.0
207.01775	94.1
208.02144	2.2
212.02240	1.9
214.66644	1.5
225.02789	5.3
231.01764	64.2
235.00923	2.1
237.02823	2.7
243.01833	2.6
249.02837	23.7
261.02844	19.8
291.03842	10.0
291.09247	2.5
319.06714	1.8
351.06769	98.4
351.12518	97.5
352.07214	5.6
352.13037	3.4
352.16919	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	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97137	0.7
69.63024	2.8
82.71697	0.8
95.51589	0.8
112.89607	2.0
114.89368	2.3
118.77493	0.9
128.00780	0.8
136.88989	0.8
175.11969	1.1
181.96208	1.6
185.12616	0.7
208.97276	9.3
275.94391	5.8
276.94690	1.1
277.94354	2.9
334.02609	0.8
351.06888	100.0
352.07309	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	351.0865
Annotation	Tetracenomycin B1
Peak:m/z	Relative Intensity
51.02385	0.7
53.21843	0.6
55.01863	0.8
55.05510	2.0
57.03424	1.1
65.03940	5.6
67.05513	4.5
69.07064	1.2
70.94182	1.0
71.01403	0.6
71.08633	1.5
77.03899	0.8
79.05492	7.1
81.07061	4.3
83.08595	0.6
91.05504	3.1
93.07049	4.2
95.01315	0.8
95.04964	3.1
95.08611	3.8
97.06492	0.6
99.08086	1.5
105.03403	1.1
105.04475	0.7
105.07005	2.9
107.08588	3.1
108.40645	0.7
109.02869	1.3
109.10178	1.7
115.05459	6.0
116.05823	0.7
117.07049	0.7
119.08596	2.2
121.02874	5.6
121.06473	0.6
121.10128	1.4
131.08585	1.5
133.10147	2.8
135.04417	100.0
135.11707	2.2
136.04709	3.3
139.03931	2.8
143.04935	7.1
143.08569	0.7
144.61295	0.6
145.10152	0.8
147.11708	2.1
149.02351	98.4
149.03429	7.0
149.13255	0.8
150.02666	3.0
151.11194	1.1
153.45386	0.6
157.10081	1.1
161.13280	1.7
163.14825	0.8
165.07039	0.8
171.04431	10.6
171.11742	1.0
173.05995	4.5
174.23187	0.6
175.14914	0.7
179.08636	0.9
189.07042	1.5
201.05478	11.6
205.06526	1.0
207.08110	1.3
207.10080	0.8
229.05052	0.7
235.07571	1.6
237.09145	1.8
241.19466	1.1
247.07622	3.5
251.07059	2.1
259.20581	3.8
263.07047	1.3
265.08679	1.8
275.06973	3.1
277.21634	2.3
279.06567	1.4
281.07919	0.7
293.08163	1.7
294.07523	0.7
323.09137	55.8
324.09567	4.0
351.08615	21.4
351.21307	3.0
351.25305	3.8
352.08768	1.6
352.17505	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	351.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	22.3
69.03422	1.2
70.06592	0.8
71.04988	1.4
71.44772	0.4
83.01334	0.5
84.08141	1.6
84.96033	3.4
98.97584	100.0
99.97944	1.1
102.06559	0.4
107.07323	0.5
110.09678	1.9
110.97569	13.9
111.08066	1.0
112.99138	2.3
116.98624	28.0
120.08069	1.3
124.99096	3.1
126.97070	0.8
127.00669	1.2
128.98605	10.0
129.02242	1.2
130.93285	0.6
131.00198	1.4
134.09677	2.9
134.99654	6.1
135.10448	4.1
136.11227	1.5
137.05898	0.6
138.12764	1.4
140.98618	2.0
143.00163	6.0
144.98056	1.4
145.01730	1.8
146.99638	3.1
147.03336	2.9
148.11218	4.5
152.98572	3.5
154.97752	0.5
155.00206	1.0
155.07039	1.0
158.99655	31.2
161.01215	4.7
162.12805	1.9
162.99146	0.8
163.02739	0.8
163.13565	4.0
164.14406	0.7
165.04362	1.7
165.50774	0.5
170.99635	10.4
171.03262	2.8
172.94318	0.9
173.01228	1.8
175.02814	1.1
175.04333	0.4
177.00713	19.3
179.02312	0.8
180.13789	2.5
189.00708	36.0
189.04333	7.6
190.00974	0.6
190.12144	0.5
190.95203	0.5
191.02330	0.6
193.03786	0.7
195.01785	1.1
201.00693	3.2
207.01781	29.3
207.05341	1.8
208.01953	0.6
208.13249	1.6
209.99564	0.7
216.96851	0.5
216.98705	0.7
217.99245	0.5
219.01772	17.4
225.02748	0.8
231.01767	17.9
231.05400	1.6
231.99001	0.7
232.02122	1.4
237.02827	19.8
243.01776	0.9
244.96443	1.0
249.02795	7.9
249.06476	1.1
251.04514	0.8
251.98134	0.5
255.03951	0.9
261.02829	5.6
262.97134	0.6
264.12271	0.9
273.02795	0.9
274.97559	0.8
279.03455	0.8
286.97726	0.5
290.96689	0.9
291.03915	2.8
291.07458	22.7
292.07803	0.8
293.99707	0.6
304.98517	1.8
309.08557	56.6
310.08923	2.0
329.07379	0.5
332.10156	1.6
334.16489	5.4
338.99487	0.5
350.97089	0.9
351.05783	3.1
351.09659	35.2
352.10016	1.9
352.17542	43.0
368.97766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33245	1.5
53.03950	2.1
55.01871	5.0
55.05515	15.2
57.03432	8.0
57.07079	3.6
63.71240	1.5
67.05508	44.7
69.07075	14.4
69.40846	5.7
71.05005	3.3
71.08634	25.7
77.11977	1.5
79.05497	24.8
81.03428	2.7
81.07063	40.7
83.04996	5.3
83.08640	10.7
85.06551	2.6
87.17050	1.5
91.05490	21.0
93.07049	30.4
95.04967	7.6
95.08612	26.0
97.06541	5.0
97.10193	4.9
99.08104	21.8
101.30115	1.6
105.07036	18.6
107.04979	2.4
107.08595	21.2
109.06529	2.9
109.10164	10.4
111.08084	4.9
117.07023	4.4
119.08579	17.5
121.10155	14.0
123.11704	3.2
125.09664	5.9
129.07024	3.2
131.08585	4.2
133.10139	12.8
135.08116	1.9
135.11681	13.4
137.09581	3.0
143.08554	3.2
145.10094	8.4
147.11702	13.7
149.13272	7.6
151.11183	13.6
154.88426	1.7
157.10147	2.4
159.11716	2.9
161.13277	16.8
163.11201	6.0
163.14810	2.5
167.31100	1.5
171.11725	3.6
173.11858	3.0
173.13295	5.2
175.14883	5.7
179.14334	13.8
185.13376	2.0
193.15858	2.1
199.14778	2.5
217.19601	2.1
231.09245	1.9
231.21054	4.8
241.19507	8.0
249.22183	1.7
259.20602	18.6
269.10654	2.9
277.21640	27.0
279.39853	1.6
289.21451	3.9
305.20810	11.3
319.17493	1.8
333.17468	12.6
351.21381	100.0
351.25391	60.4
352.17618	12.9
352.21689	7.7
352.25595	3.1
369.19540	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50022	3.1
55.01858	4.0
55.05508	24.6
56.96574	7.7
57.03433	6.6
57.07064	4.3
63.91648	3.0
67.05513	52.4
69.07077	20.0
69.25445	3.3
71.04990	6.8
79.05492	65.3
81.07067	53.3
83.04993	5.8
83.08629	8.3
85.06547	6.0
85.10186	4.0
91.05484	59.7
93.07045	83.3
95.04974	11.8
95.08006	4.9
95.08604	44.8
97.06532	5.4
99.08111	3.7
105.04529	4.2
105.07023	75.7
107.08604	50.5
109.06508	4.3
109.10173	21.2
113.09650	6.6
117.07021	16.6
119.08584	55.9
121.10133	44.7
129.06967	9.0
131.08575	24.0
133.10146	49.3
135.11693	40.0
142.07693	3.7
143.08571	11.7
145.10130	26.8
147.11703	49.8
148.11023	2.9
149.09625	5.9
149.13245	29.3
157.10112	11.4
159.11665	24.1
161.13277	40.7
163.11159	4.0
163.14812	10.4
165.12712	5.6
171.11771	14.4
173.13275	11.0
175.14799	14.1
177.12753	4.2
185.13268	16.8
199.14810	7.9
213.16319	4.5
231.21022	7.7
241.19547	34.3
255.09094	7.6
259.20575	100.0
269.10635	4.6
277.21689	10.1
285.10156	3.6
333.17093	6.1
333.24191	4.8
334.16696	3.5
351.18811	15.3
351.21552	8.4
351.25284	72.5
351.29257	6.2
352.17670	27.5
352.25616	8.0
369.19287	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	351.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05256	1.2
55.05511	15.1
57.03434	1.3
59.05000	2.6
60.76900	0.8
67.05496	1.2
69.03434	3.6
69.07068	2.7
69.49773	3.5
70.06615	1.2
71.04992	14.2
73.02921	0.9
73.06554	2.7
75.35941	0.8
79.05505	4.1
80.04997	0.7
81.07061	19.3
83.04983	100.0
83.08608	0.8
84.04514	2.1
84.05296	1.5
84.08156	1.3
85.02908	6.2
85.06528	0.8
91.05453	1.6
93.04322	0.8
93.07050	12.3
95.01344	3.1
95.04977	1.8
95.08604	4.3
95.74475	0.7
97.02914	1.9
97.06534	3.2
99.04478	0.9
99.08195	0.7
101.05980	1.1
105.07053	0.9
107.08592	9.1
109.02865	1.0
109.06506	1.1
109.10147	3.4
111.08044	1.2
125.09658	0.9
127.03949	1.3
129.09135	0.9
131.03351	0.9
135.10172	0.9
135.11693	17.4
135.12640	1.2
136.11209	1.0
137.06035	1.0
137.09634	0.8
141.01820	5.1
141.12712	0.8
145.04993	1.1
146.94853	0.7
152.10631	1.0
153.12744	66.2
154.09427	1.2
154.13176	1.3
155.10701	2.4
157.08620	8.0
159.02930	1.4
171.10226	1.3
171.13803	3.2
173.11780	1.3
175.09653	7.9
177.76088	0.9
184.56117	0.9
184.90161	0.8
186.12793	0.9
221.07497	0.8
259.08286	2.2
291.17871	1.0
324.21640	4.4
333.18500	1.3
351.10794	1.3
351.15781	2.3
351.19815	6.6
351.22525	1.0
351.23453	1.5
352.17532	4.2
352.21179	22.0
352.25006	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	351.2015
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
51.48794	0.8
53.03952	1.2
55.05515	12.7
57.07080	1.4
59.05003	3.0
67.05518	2.8
69.03438	3.4
69.07065	3.9
69.53575	3.7
70.06573	1.9
71.04997	18.7
73.02906	1.4
73.06570	6.3
73.06939	1.2
74.11003	0.9
79.05492	8.1
81.03435	0.8
81.07060	27.6
83.04983	77.1
83.08611	2.2
84.04504	1.8
84.08160	1.0
85.02913	3.7
85.06551	16.3
91.05486	2.3
93.07044	17.7
94.07390	1.4
95.01342	2.4
95.04973	2.5
95.08628	5.4
95.09145	0.8
97.02855	1.0
97.06552	4.4
104.03053	1.1
105.07070	1.5
105.74693	0.9
107.08594	12.8
109.06548	1.3
109.10154	3.8
111.08074	1.4
119.08572	1.4
135.11693	26.4
137.11626	1.0
138.17528	1.3
141.01828	2.6
147.08163	1.2
150.09164	2.1
152.10666	2.0
153.12744	100.0
154.13135	4.1
155.10622	1.2
157.08611	6.3
171.13794	7.9
173.11772	1.1
175.09647	7.3
178.12299	1.0
189.14850	1.0
225.31183	1.0
259.08124	2.0
278.17566	0.9
324.21671	3.2
351.16132	1.7
351.19617	3.7
351.23297	9.7
352.17566	5.7
352.21133	17.1
352.24896	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	351.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03812	0.7
59.04996	0.9
67.05508	0.9
79.05479	0.7
81.07032	0.8
85.02919	0.8
93.07025	0.9
101.06022	12.3
101.06657	1.0
132.38535	0.6
153.05464	0.6
177.54674	0.6
185.29781	0.7
191.13713	0.6
215.71997	0.5
235.96747	0.7
259.20599	0.8
314.52844	0.6
333.20224	0.8
351.21417	100.0
352.17435	1.9
352.21503	10.0
352.25519	1.1
360.24561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34007	1.1
67.05492	1.3
69.07043	1.1
69.70620	2.0
69.71030	3.4
74.67849	1.1
79.05485	2.4
80.94856	1.2
81.07048	1.8
93.07015	2.4
95.08645	1.2
97.86892	1.0
98.79991	1.1
104.99239	1.3
105.07037	1.3
109.10142	1.6
111.04209	1.1
121.10177	2.1
183.75381	1.1
195.64610	1.0
245.15215	1.8
259.20679	1.5
333.20285	4.7
337.33121	1.1
351.21399	100.0
351.24771	3.5
352.17542	3.6
352.21646	9.8
352.24976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.47342	0.9
53.44625	1.0
60.53226	1.2
66.78682	1.0
67.05497	1.6
70.55677	1.6
78.88612	0.9
79.05496	1.4
81.07059	2.2
91.05490	1.8
93.07046	1.9
95.04975	1.7
95.08591	1.6
105.07042	1.4
111.04244	1.7
118.53036	1.0
123.37323	1.0
131.08464	1.0
138.85121	1.2
159.11739	1.1
236.16637	1.1
245.15224	2.8
259.20477	1.4
269.11658	1.0
294.04727	1.1
333.20160	3.8
351.21423	100.0
352.17404	2.9
352.21646	11.1
352.24902	1.1
373.05972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
66.53132	0.4
67.05488	0.8
67.42796	0.4
69.03404	0.7
69.30215	1.8
71.08627	0.5
75.08698	0.4
79.05495	0.8
81.07042	1.7
83.04986	0.5
93.07029	1.0
95.08626	0.9
105.07015	1.3
107.08575	0.6
119.08571	0.8
124.82755	0.5
135.04361	1.2
145.10100	0.6
147.11722	0.7
149.02367	1.9
213.93080	0.4
303.06668	0.5
323.09125	0.7
326.08456	0.5
351.21420	100.0
352.17694	0.9
352.21637	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	351.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01886	3.7
55.05513	11.1
55.74807	0.6
57.03440	7.1
57.07071	2.1
58.51094	0.7
65.03944	1.3
67.05505	21.9
69.03422	0.9
69.07072	7.9
69.31433	2.5
69.31850	1.0
71.05005	1.7
71.08633	17.0
77.03927	0.8
77.61396	0.5
79.05493	14.9
81.03412	2.5
81.07057	21.1
83.04974	3.0
83.08624	4.5
85.06534	1.2
91.05477	12.4
93.07045	17.0
95.04966	4.3
95.08608	13.2
97.06520	2.4
97.10172	2.1
99.08092	15.0
105.07021	9.7
107.04949	1.2
107.08593	11.7
109.06515	1.7
109.10173	4.1
111.08085	2.9
117.07055	2.9
119.08585	10.3
121.10138	5.6
123.08062	1.0
123.11706	2.3
125.09609	2.6
129.06999	1.5
131.08575	2.3
133.10118	7.2
135.08069	1.0
135.11703	5.6
137.09596	1.0
137.13240	0.9
139.11232	0.6
143.08569	1.8
145.10133	3.5
147.11681	6.1
149.13234	3.8
151.11191	9.6
157.10181	1.4
158.57249	0.7
159.11682	1.6
161.09702	1.1
161.13269	7.3
163.11194	3.6
163.14787	1.8
165.12761	1.9
171.11659	1.9
173.11868	0.8
173.13232	1.5
175.14833	3.7
177.12741	0.9
179.14333	4.5
185.13249	2.6
189.12715	1.3
193.15831	0.9
199.14870	1.6
207.13885	0.8
217.19571	0.9
219.47636	0.7
231.21118	2.3
241.19519	2.6
249.22215	1.5
259.20572	6.9
277.21625	16.1
278.21994	0.9
289.21338	1.0
295.22556	1.1
305.20868	2.0
351.21365	100.0
351.25336	28.8
352.17477	3.1
352.21725	6.8
352.25708	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2146
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01881	4.0
55.05517	3.3
56.96568	4.7
57.03437	2.8
57.85843	1.0
65.03952	1.2
67.05502	11.9
69.07076	4.2
71.08634	3.2
73.33865	1.1
75.72707	1.1
76.10593	1.0
78.32764	1.2
79.05505	6.8
81.07053	11.4
83.05001	1.5
83.08640	3.3
89.71151	1.0
91.05469	7.6
91.90305	1.0
93.07036	9.8
95.04998	2.0
95.08614	7.1
97.06564	1.6
97.96796	1.2
99.08109	2.6
104.99302	1.1
105.07000	7.5
107.08612	7.2
109.10152	2.3
111.04436	1.2
111.08102	5.2
114.30173	1.3
117.07063	1.4
119.08617	3.7
121.10152	3.1
123.08138	2.1
126.54948	1.2
131.08612	2.5
133.10184	5.9
135.10634	1.7
135.11742	5.1
143.08594	1.4
147.11765	5.3
148.11212	1.0
148.16496	1.1
149.02344	10.1
149.03412	1.5
149.13274	2.0
151.11214	1.5
157.10216	1.4
159.11739	1.7
161.13333	3.6
162.12758	1.2
171.11789	2.4
173.13206	1.7
175.14877	1.2
179.14391	3.4
185.13239	2.4
241.19478	1.3
259.20691	5.9
274.47098	1.4
277.21692	9.1
333.17224	3.5
333.20520	16.3
334.17062	1.5
351.21567	100.0
351.25400	11.8
352.17670	13.0
352.21854	7.6
352.25534	1.4
369.19595	3.3
374.20251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
57.03419	0.4
61.36624	0.4
62.24821	0.4
62.62368	0.4
67.05496	0.6
69.50163	1.8
76.73250	0.5
81.07059	0.8
91.05484	0.6
93.07045	0.8
98.23441	0.9
99.04446	0.4
106.16968	0.4
131.08656	0.5
143.93991	0.5
166.18967	0.5
196.53938	0.5
201.30711	0.6
227.87343	0.4
231.83102	0.5
250.09410	0.7
279.67374	0.4
288.27811	0.5
300.39847	0.5
333.20831	0.6
351.21408	100.0
352.17621	1.1
352.21631	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05513	12.9
57.03440	6.1
57.07072	2.8
67.05160	2.4
67.05505	38.9
69.07069	14.1
70.16005	2.6
70.16351	2.0
71.04972	2.9
71.08646	1.4
75.04434	1.8
77.03933	1.8
79.05490	52.7
80.05825	1.7
81.07056	47.8
81.45708	1.3
83.04980	2.8
83.08601	6.4
85.06557	2.9
85.99422	1.2
91.05480	50.4
92.05764	1.4
93.07044	76.1
95.04980	5.9
95.08604	29.7
96.08907	1.6
97.06522	4.7
97.10172	2.7
99.08104	3.6
100.85427	1.5
105.04510	2.6
105.07027	60.9
106.07388	2.6
107.08591	39.6
109.06502	3.4
109.10156	12.2
111.08126	2.4
113.09624	2.3
117.07022	12.5
119.08575	50.6
121.10134	31.5
123.08042	1.3
123.11687	2.9
129.07005	6.6
131.08565	17.6
133.10126	49.7
135.08022	2.1
135.11693	33.7
142.07767	1.3
143.08551	10.0
145.10135	22.3
147.11678	49.6
148.12111	2.3
149.09570	1.9
149.13258	23.2
151.11154	3.0
157.10133	9.5
157.48676	1.2
159.11688	21.1
161.13258	32.6
162.13666	1.8
163.11171	4.1
163.14825	7.1
165.12811	1.4
171.11710	14.3
173.13219	10.6
175.11145	1.6
175.14827	12.7
177.12744	2.9
179.14256	2.0
183.11578	1.5
185.13283	13.4
187.14798	2.5
189.12711	2.1
191.14305	1.8
199.14771	7.3
203.14323	1.8
213.16386	5.1
231.17365	4.5
231.21059	8.2
241.19505	32.0
242.19809	2.4
249.22128	1.8
259.20578	100.0
260.20963	6.4
261.22171	1.4
277.21582	11.2
333.24142	2.6
351.18835	2.6
351.25278	65.6
352.17624	7.7
352.25632	5.6
369.19241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34563	1.8
53.03945	5.4
55.01883	10.8
55.05512	35.1
57.03441	20.8
57.07074	6.1
57.27299	1.9
65.03935	4.0
67.05506	82.9
69.03423	2.4
69.07066	29.6
71.05008	6.9
71.08633	64.3
79.05497	60.5
80.05819	2.2
81.03421	10.1
81.07060	80.4
83.04993	13.4
83.08615	22.7
85.06528	5.0
91.05489	46.1
93.06458	3.4
93.07050	69.4
95.04977	15.4
95.08607	56.8
97.06528	9.4
97.10166	11.7
99.08096	46.8
105.03365	1.8
105.04531	2.4
105.07025	38.3
107.04972	5.9
107.08595	36.6
109.06523	7.6
109.10168	22.9
111.08092	7.6
113.09636	2.3
117.07026	9.2
119.08582	33.1
121.06479	2.9
121.10154	20.1
123.08041	2.7
123.11743	7.8
125.09663	8.2
129.07037	5.9
131.08591	9.3
131.60020	1.9
133.10109	20.6
135.08041	2.9
135.11693	21.4
137.09602	2.4
137.13274	3.3
139.07556	2.1
139.11179	3.2
141.65112	1.9
143.08615	7.7
145.10141	15.6
147.11722	19.8
149.13278	13.9
151.11194	28.6
151.34801	2.5
157.10173	5.3
159.11713	6.9
161.09703	2.2
161.13252	27.6
163.11183	14.4
163.14880	6.2
165.12778	6.2
171.11723	10.2
173.13304	3.7
175.11252	3.4
175.14827	10.8
177.12915	3.5
179.14330	13.8
181.12282	2.7
185.13304	6.5
189.11194	2.5
189.12714	4.7
195.13864	1.9
199.14894	5.2
207.13788	2.5
217.19530	3.2
221.15448	3.5
231.21147	6.1
236.77560	2.2
241.19518	15.6
249.22206	2.6
259.20575	24.4
277.21649	62.6
278.21967	4.4
333.22150	2.5
351.21774	6.3
351.25351	100.0
352.17557	13.5
352.25604	6.4
360.87463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.6
55.05508	21.8
55.88217	2.3
56.96532	2.6
57.03429	14.4
57.07069	5.5
67.05506	52.6
68.48663	2.0
69.03423	4.9
69.07069	15.5
71.04996	3.2
71.08631	68.1
71.10147	2.5
72.04508	4.0
78.15114	2.2
79.05491	36.2
80.94866	5.0
81.03413	5.1
81.07053	56.9
83.04977	10.7
83.08611	11.8
83.44398	2.3
85.06536	4.1
86.86193	2.0
91.05488	35.1
93.06450	3.1
93.07043	59.0
95.04981	21.3
95.08607	44.1
97.06522	8.8
97.10196	5.0
99.08086	39.2
101.32153	2.2
104.99260	5.7
105.07025	19.6
107.04956	6.5
107.08585	37.4
109.06548	12.1
109.10162	15.9
111.08081	7.6
113.09631	3.5
117.07012	6.5
119.08588	20.7
121.10140	26.3
123.08099	3.5
123.11688	4.8
125.09599	3.5
127.11129	2.8
131.08551	5.5
133.10121	14.7
135.11670	22.7
137.09607	14.0
141.09059	2.9
143.08531	2.9
145.10120	7.1
147.11710	10.3
149.13255	13.3
151.11203	17.3
153.12740	4.1
159.11737	4.0
161.13225	9.7
163.11185	9.8
163.14806	6.5
165.11461	4.6
165.12753	41.4
171.11720	3.3
173.13271	2.5
177.12735	4.9
179.14296	77.1
180.14616	4.2
181.65074	2.3
191.14333	3.0
229.51418	2.5
235.16936	5.1
236.20036	4.2
253.98360	2.5
259.20560	9.4
277.21655	39.5
289.21527	10.3
311.19012	2.4
319.09570	2.8
333.24326	3.7
334.27332	20.5
351.12027	4.3
351.21536	5.9
351.25259	100.0
352.17349	7.1
352.21414	3.0
352.25137	3.5
352.28726	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01857	2.8
55.05263	1.3
55.05512	17.8
56.96547	1.5
57.03188	1.3
57.03440	15.6
57.07062	4.3
58.04370	0.9
59.04991	1.1
65.03926	2.6
67.05505	53.6
68.05831	1.5
69.03424	1.6
69.07066	16.0
69.96227	2.7
71.04978	2.7
71.08633	55.8
77.03905	1.1
79.05490	45.3
80.05807	1.3
80.94856	8.2
81.03425	6.7
81.07056	52.6
82.07373	1.9
83.04610	1.0
83.04988	10.4
83.08614	9.7
84.08092	1.0
85.06542	4.0
85.68425	0.8
91.05478	28.4
91.06053	1.9
93.07043	54.6
94.07381	1.5
95.04963	12.0
95.08601	33.6
97.06544	8.3
97.10161	4.7
98.91917	1.3
98.97573	1.2
99.08092	37.0
102.86397	1.0
104.99277	2.0
105.04520	2.4
105.07030	21.5
106.07357	1.0
107.04946	6.5
107.08594	29.9
108.08920	1.6
109.06509	3.5
109.10155	15.6
111.08073	2.7
113.09657	3.5
117.07017	5.3
119.08578	16.7
121.06516	1.8
121.10141	26.0
123.08025	2.4
123.11678	2.6
125.09627	2.0
127.11202	2.4
127.60880	0.9
129.07019	2.2
131.08588	5.1
133.10133	13.5
135.08060	1.5
135.11688	32.1
136.12029	1.2
137.09639	4.3
137.13223	1.5
141.09113	3.6
143.08583	2.9
145.10121	3.7
147.11664	7.5
149.09541	1.4
149.13242	11.0
151.10040	1.9
151.11174	19.9
152.11517	1.3
153.12727	2.2
157.10138	2.3
159.11684	4.3
161.13258	12.7
163.11206	6.8
163.14867	2.7
164.92087	1.2
167.10675	1.9
168.13519	0.8
169.20154	0.9
171.11758	2.6
173.13167	1.1
175.14795	1.8
177.12755	4.1
179.14305	100.0
180.14680	4.7
180.89417	2.1
181.12250	1.1
182.91484	0.9
185.13277	1.7
189.12729	1.5
195.13829	1.6
199.14847	1.7
209.15364	1.1
212.96758	1.0
221.15401	3.6
235.16977	4.7
238.88878	1.1
241.19527	2.8
259.20609	6.1
277.21616	44.1
278.21890	2.2
319.09521	1.1
333.17242	1.4
351.18475	1.7
351.25287	44.9
352.17615	2.5
352.25601	4.5
369.19247	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33085	2.9
53.03931	4.4
55.01883	3.0
55.05512	26.3
57.03431	8.9
57.07059	4.8
62.75484	3.2
65.03938	4.9
67.05507	75.7
67.05869	5.9
69.03390	3.6
69.07066	20.9
69.57912	3.0
70.06585	4.8
71.04977	6.8
71.08630	31.6
79.05496	70.9
80.05814	3.4
81.07056	68.1
83.04982	6.9
83.08611	12.3
85.06528	4.8
91.04939	5.7
91.05476	68.1
93.07047	93.6
95.04955	14.7
95.08604	43.0
97.06544	6.2
97.10173	6.1
99.08069	23.1
105.04498	5.3
105.07039	68.2
105.07729	4.1
107.04973	5.7
107.08599	51.1
109.06510	6.3
109.10163	15.0
111.08076	6.7
117.07043	16.6
119.08587	63.0
121.10149	35.7
123.08003	2.9
123.11680	5.6
129.07021	11.0
131.08566	19.2
133.10130	59.5
135.08095	4.1
135.11685	39.8
137.09688	5.5
143.08566	10.9
145.10129	26.1
147.11693	55.0
149.13254	21.2
151.11206	14.7
157.10143	10.0
159.11638	14.9
161.13274	42.1
163.11163	7.8
163.14821	6.8
171.11745	15.1
173.13272	14.1
175.14807	16.8
177.12767	3.5
179.14320	11.0
185.13260	13.8
199.14822	9.6
231.21063	9.4
240.14221	3.7
241.19493	35.5
259.20575	98.7
277.21658	25.3
319.13733	5.9
333.24451	3.9
333.42328	3.1
351.15967	4.4
351.21432	6.4
351.25284	100.0
352.11713	3.0
352.17557	11.7
352.25629	12.4
373.44852	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.6
55.05512	24.9
56.96545	9.4
57.03419	11.5
57.07052	4.2
61.94836	2.7
65.57773	2.6
67.05499	55.0
69.03414	7.8
69.07080	19.5
69.17941	10.4
69.18346	8.1
71.04967	8.4
71.08603	11.8
79.05057	3.9
79.05492	69.4
81.03403	5.6
81.07056	65.0
83.04984	3.5
83.08591	11.2
85.06481	4.6
91.04942	4.2
91.05477	53.0
93.07043	96.8
94.07332	3.4
95.04971	14.9
95.08613	43.3
97.06483	4.0
97.10141	5.7
99.08114	14.9
99.08629	3.0
104.99245	4.7
105.07016	54.5
107.07935	4.3
107.08598	62.6
109.06512	4.7
109.10178	15.2
111.08054	9.6
113.09594	2.8
115.00639	3.2
117.07024	15.9
119.07872	3.4
119.08587	46.6
121.06432	4.2
121.10149	41.2
123.08035	4.4
123.11667	5.1
125.09635	5.5
125.23536	2.9
129.06946	7.5
131.08545	15.7
133.10136	45.5
134.09662	3.9
135.11681	45.9
137.05969	3.4
137.09599	6.0
143.08557	6.9
145.10132	19.9
147.11682	40.7
149.09616	3.1
149.13261	26.4
151.07492	8.8
151.11159	11.1
157.10126	7.3
159.11682	16.6
161.13251	33.4
162.13890	3.5
163.11174	6.4
163.13531	6.4
163.14804	8.3
171.11713	11.6
173.13237	8.9
175.14789	11.1
177.12640	3.6
179.14305	13.7
185.13226	11.2
186.99591	3.0
189.12592	3.2
190.14929	2.7
199.14775	10.2
213.16437	3.4
231.17372	5.6
231.20923	9.2
235.16930	3.5
241.19516	33.1
257.11688	3.1
259.17804	5.7
259.20557	100.0
260.20886	6.3
277.21628	33.8
333.17160	9.6
333.24036	11.3
334.16360	9.4
348.49521	3.3
351.18298	31.1
351.21957	5.0
351.25171	91.6
352.17511	61.7
352.25418	6.3
369.19348	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
53.78228	1.7
55.01871	2.0
55.05509	15.7
56.96568	2.7
57.03427	8.1
57.07064	3.7
57.24296	1.6
64.60447	2.1
65.03949	2.8
65.37552	2.0
67.05505	51.4
69.07071	15.9
69.35579	8.5
70.85420	1.6
71.04994	3.7
71.08619	6.6
79.05492	73.0
81.07053	55.5
83.08630	7.0
85.06549	3.9
91.05479	57.9
93.07042	100.0
94.07368	3.3
95.04962	12.1
95.08607	43.3
97.06527	3.9
97.10169	3.6
99.08104	4.9
104.99236	2.9
105.04475	3.0
105.07028	60.6
107.08594	56.1
109.06509	3.6
109.10159	15.6
111.08062	4.2
113.09645	2.9
117.07049	11.2
119.08582	50.0
120.08878	1.9
121.06557	1.9
121.10148	44.1
123.11719	4.4
129.07004	8.4
131.08565	19.5
132.92708	1.8
133.10129	48.2
135.11694	41.9
137.09592	3.7
143.08554	8.0
145.10135	22.0
147.11678	38.2
149.13242	29.1
151.11200	4.7
157.10074	7.7
158.69852	1.8
159.11719	18.5
161.13255	37.9
163.11212	5.3
163.14824	7.2
169.02713	3.2
171.11729	12.5
173.13231	10.1
175.11223	3.2
175.14789	12.2
177.12746	4.2
179.14310	8.4
185.13286	10.6
186.99428	2.5
187.14769	4.1
189.12746	3.0
199.14807	7.3
213.16353	6.5
215.18022	3.8
231.21098	5.8
241.19524	34.7
242.19835	2.0
259.20566	92.3
260.20856	5.4
277.21643	17.2
319.09326	2.4
332.29703	2.0
333.24240	7.0
351.18423	5.7
351.25296	80.6
352.17599	2.8
352.21646	3.2
352.25687	7.9
369.19476	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05518	19.0
57.03430	9.4
57.07068	5.3
67.05508	51.9
69.07073	18.9
71.04985	5.8
71.08626	3.2
77.03927	2.7
79.05495	60.1
81.07061	63.6
83.04977	3.6
83.08624	11.2
85.06539	8.0
91.05482	56.6
93.07049	86.3
94.07359	2.6
95.04960	8.3
95.08613	44.8
97.06541	4.9
97.10163	5.2
98.22701	4.4
99.08105	5.9
105.04527	5.7
105.07039	53.9
107.08600	57.6
109.06532	8.0
109.10171	18.1
111.08128	4.2
117.07013	12.4
119.08580	56.3
121.06546	2.8
121.10155	43.4
123.08060	5.2
123.11698	3.9
125.09612	3.3
129.07018	8.9
130.62196	2.1
131.08571	21.4
133.10133	47.2
134.10448	2.4
135.04385	6.1
135.11702	46.0
136.11995	2.3
137.05971	10.6
143.08557	10.3
145.10141	22.1
147.11693	57.0
149.02351	4.3
149.09590	5.1
149.13268	32.7
157.10165	13.0
159.11682	20.1
161.09552	3.5
161.13258	37.0
163.11179	5.2
163.14801	11.4
165.12752	3.4
171.11728	13.2
173.13225	11.7
175.14809	22.7
177.12778	5.7
183.29536	2.5
185.13255	16.4
187.14784	3.6
189.09186	2.2
189.12788	4.3
192.14325	2.1
199.14803	10.6
203.14406	2.1
213.16399	4.4
215.17984	3.2
217.19492	6.1
231.17433	3.1
231.21094	8.7
241.19522	41.0
259.20596	100.0
260.20950	8.2
268.73651	2.5
277.18057	8.7
277.21661	19.4
313.21075	2.1
333.24298	13.5
351.21368	12.4
351.25308	93.1
352.11740	4.2
352.17581	16.3
352.25583	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
54.52875	1.1
55.01867	1.9
55.05510	24.5
57.03439	9.6
57.07070	4.2
61.88461	1.1
65.03944	2.5
66.10057	1.0
66.92226	1.1
67.05507	58.8
69.03421	1.7
69.07069	19.9
70.06600	1.4
71.04992	4.8
71.08634	8.2
75.04485	1.9
77.03945	2.0
79.05495	71.5
80.05828	1.7
81.03410	4.2
81.07057	66.7
82.07385	1.4
83.04984	3.9
83.08623	10.7
85.06543	5.0
88.37596	1.2
91.05479	54.9
93.07044	91.4
94.07367	2.2
95.04971	12.4
95.08021	2.5
95.08610	40.0
95.09216	2.0
97.06532	5.7
97.10167	4.6
99.08080	8.5
105.04527	3.2
105.07030	58.1
106.07390	1.8
107.08593	57.8
109.06533	4.2
109.10147	19.8
111.08078	3.7
113.09647	3.1
115.05472	1.9
117.07016	12.9
119.08578	51.7
120.08943	1.3
121.06477	2.6
121.10141	43.3
122.10452	2.1
123.08047	3.4
123.11724	4.6
125.09669	2.4
129.05486	1.6
129.07008	7.2
130.07816	1.5
131.08572	22.7
133.10129	45.9
134.10458	2.7
135.04436	1.2
135.08078	2.7
135.11688	43.5
136.12111	1.9
137.09644	2.1
139.11186	1.3
142.07816	1.3
143.08568	7.7
145.10123	21.3
147.11687	49.3
149.09651	3.6
149.13260	29.0
151.11195	4.7
151.97948	1.1
152.10310	1.3
153.09116	2.0
157.10156	8.9
159.11700	19.1
161.09645	2.8
161.11894	1.7
161.13264	34.0
162.13574	2.0
163.11208	4.3
163.14798	10.8
165.12703	2.4
171.11705	14.0
173.13229	11.4
175.11295	2.2
175.14821	19.6
176.15150	2.0
176.67995	1.3
177.12746	3.5
179.14317	12.7
185.13254	12.2
187.14825	2.7
189.12820	3.5
189.16394	2.1
193.12224	1.3
193.15886	1.4
199.14775	7.9
203.14304	3.9
213.16405	5.1
215.17859	2.0
217.19479	4.6
221.15422	1.9
231.17471	3.1
231.21031	9.4
235.16847	1.4
241.19519	36.8
241.53850	1.2
242.19824	1.8
259.20578	96.4
260.20935	6.4
277.21637	27.3
278.21854	2.2
278.65164	1.2
333.24194	12.4
351.25290	100.0
352.17615	4.8
352.25705	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01862	4.1
55.05514	27.7
57.03438	41.8
57.07063	3.4
59.04969	2.0
67.05504	62.9
69.03417	2.0
69.07064	23.6
69.52901	7.6
71.05009	3.7
77.03905	2.7
79.05493	74.6
80.05834	1.9
81.07058	78.7
83.04962	4.8
83.08612	18.4
85.06538	7.2
91.04943	3.3
91.05479	51.5
93.07044	92.9
94.07375	2.6
95.04954	7.3
95.08611	57.6
96.08926	1.7
97.06522	7.0
97.10153	3.1
98.22681	2.1
99.08092	5.7
104.99292	2.0
105.04522	3.4
105.07027	51.9
107.08596	53.8
109.06501	4.8
109.10160	23.3
111.08065	5.6
113.09656	3.2
117.07001	13.3
119.08594	42.2
121.10142	43.6
122.10494	1.8
123.08091	2.2
123.11723	7.9
125.09604	2.8
129.06985	5.3
131.08568	24.8
133.09175	3.4
133.10132	47.2
135.08064	2.0
135.10646	2.5
135.11694	39.7
137.09656	3.5
137.13206	2.4
139.11189	2.7
143.08527	6.8
145.10130	21.7
147.11685	45.1
149.09621	4.1
149.13261	24.4
151.11214	3.3
157.10136	6.7
159.11702	17.1
161.13271	24.3
163.11156	2.5
163.14799	7.5
165.12724	1.8
171.11703	11.5
173.13286	10.1
175.14821	10.8
175.50005	2.1
177.12723	3.8
177.16313	2.3
179.14261	2.1
183.11710	1.6
185.13231	11.1
185.22995	1.8
187.14835	10.9
195.13702	1.9
199.14809	7.1
201.16402	3.6
205.15887	6.4
213.16389	2.6
221.15323	2.4
221.19077	4.1
231.21062	4.9
241.19537	22.6
259.20590	61.4
260.20905	4.8
277.21637	26.5
278.22061	2.6
333.24237	8.3
334.16452	1.6
351.21335	9.2
351.25269	100.0
352.17490	15.0
352.21423	2.3
352.25552	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	351.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52849	0.5
55.05515	4.7
57.07071	6.1
58.40504	0.5
59.05027	0.5
61.98618	0.5
67.05473	1.7
69.07063	4.9
71.08602	2.4
71.10342	0.8
79.00362	0.7
79.05469	1.0
80.04996	0.8
81.07018	2.3
83.08624	2.8
85.10146	1.5
89.06003	1.7
90.06300	0.6
91.05437	1.1
93.07050	0.9
94.05328	3.9
95.04943	0.7
95.06104	3.5
95.08582	1.8
96.33276	0.5
97.10143	1.3
105.07030	0.6
107.06078	19.3
107.08523	1.1
108.06892	2.7
109.07611	2.3
109.10136	1.2
120.08042	0.6
121.07636	2.9
121.10121	0.6
122.08375	1.4
123.05553	0.7
123.11668	0.6
124.06326	3.3
125.07074	1.7
133.07614	0.8
134.09657	0.7
135.09132	1.7
136.09987	0.6
136.11209	0.6
137.07086	6.2
138.07846	0.6
145.10144	0.6
147.09142	1.0
148.09982	0.5
148.11205	1.0
149.10701	1.5
151.08623	5.2
151.09686	2.0
152.09894	1.2
160.09961	0.5
160.38896	0.6
161.10733	1.2
165.10234	2.9
165.12698	0.7
175.12253	0.8
179.11765	2.5
191.15411	0.6
193.13364	1.5
203.63084	0.5
207.14937	1.0
221.16444	1.0
231.18301	0.7
245.20169	0.6
263.21246	0.5
288.26822	1.3
315.24500	0.7
315.27985	10.4
315.31570	0.8
316.28342	1.0
323.84933	0.6
333.28992	100.0
334.29300	8.1
351.30060	30.8
352.17688	5.3
352.30392	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05289	1.4
50.78085	1.7
53.03949	4.7
55.01884	6.3
57.03441	4.3
61.02937	6.4
68.99805	2.2
69.03432	33.8
69.07071	90.8
69.48847	4.9
70.07402	1.9
71.05001	4.3
73.02924	5.3
79.05501	1.3
81.03423	19.6
81.07066	2.3
85.02908	87.2
86.09701	5.0
87.00833	44.5
87.04471	2.6
91.03974	2.3
97.02892	57.4
98.06007	1.4
99.04456	13.4
105.01872	100.0
106.02225	1.9
108.04467	2.1
109.02885	23.1
111.08083	2.2
111.46806	1.5
115.03945	2.7
117.01891	2.2
127.03917	88.9
128.04257	2.8
129.01839	2.1
144.51746	1.6
145.04967	68.5
147.02933	2.1
153.09239	1.7
159.02872	12.0
189.03914	1.9
213.03967	3.9
231.05002	36.2
248.07722	2.3
249.06036	19.0
313.45673	1.5
352.17477	15.6
352.21320	9.0
352.24786	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05289	1.4
50.78085	1.7
53.03949	4.7
55.01884	6.3
57.03441	4.3
61.02937	6.4
68.99805	2.2
69.03432	33.8
69.07071	90.8
69.48847	4.9
70.07402	1.9
71.05001	4.3
73.02924	5.3
79.05501	1.3
81.03423	19.6
81.07066	2.3
85.02908	87.2
86.09701	5.0
87.00833	44.5
87.04471	2.6
91.03974	2.3
97.02892	57.4
98.06007	1.4
99.04456	13.4
105.01872	100.0
106.02225	1.9
108.04467	2.1
109.02885	23.1
111.08083	2.2
111.46806	1.5
115.03945	2.7
117.01891	2.2
127.03917	88.9
128.04257	2.8
129.01839	2.1
144.51746	1.6
145.04967	68.5
147.02933	2.1
153.09239	1.7
159.02872	12.0
189.03914	1.9
213.03967	3.9
231.05002	36.2
248.07722	2.3
249.06036	19.0
313.45673	1.5
352.17477	15.6
352.21320	9.0
352.24786	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1755
Annotation	Retrorsine
Peak:m/z	Relative Intensity
53.40504	0.3
69.03423	0.4
69.64249	0.8
69.64582	0.3
70.06588	0.5
71.04995	4.8
72.08173	0.3
74.61181	0.3
83.01381	0.5
84.08143	1.2
85.06527	0.3
89.42196	0.3
96.08095	0.4
97.08910	1.7
98.23383	0.5
98.97594	0.5
102.37653	0.3
106.06567	0.3
107.07343	1.1
108.08130	0.8
109.88496	0.2
110.09679	4.4
111.08091	1.2
112.71971	0.2
115.03935	0.3
120.08096	3.2
122.09676	0.7
124.11243	0.8
125.12017	0.5
134.09656	5.5
135.10439	11.7
136.07553	0.6
136.11246	2.2
138.09128	1.3
138.12782	4.4
140.04608	0.3
140.10703	0.4
146.09607	0.3
148.11203	11.9
152.14348	0.7
153.15132	0.6
154.12227	0.4
155.07025	2.0
162.12781	4.6
163.13565	10.2
164.14406	1.9
166.12247	0.7
170.30782	0.3
176.10788	0.4
180.13812	5.6
180.15251	0.4
190.12268	0.8
191.13081	1.2
192.13756	0.4
202.15903	0.4
204.10350	0.4
208.13324	3.8
209.13786	0.4
236.12854	0.6
250.10718	0.3
254.13921	0.7
264.12268	1.3
274.14392	0.6
275.15280	0.4
282.13397	1.1
302.13916	0.3
306.16946	0.5
334.16504	11.5
335.16702	0.7
352.17545	100.0
353.17886	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	352.2119
Annotation	Stemonidine
Peak:m/z	Relative Intensity
53.03933	0.4
55.01870	0.9
55.05500	0.9
57.03440	4.9
57.07048	0.3
61.02672	0.3
61.02934	3.2
67.05504	1.3
69.03431	5.0
69.07062	1.6
70.06586	0.6
71.04991	1.2
71.44927	0.3
73.02911	0.5
73.06570	0.5
79.05489	1.5
80.05015	0.9
81.03438	1.5
81.07079	1.7
82.06579	0.6
83.07369	0.3
84.08135	0.6
85.02906	16.3
86.06033	0.4
87.00835	2.3
91.03964	0.3
91.05470	1.4
93.07050	1.4
94.06572	1.0
95.04960	0.9
95.08623	1.4
96.08203	0.6
97.02900	2.0
97.06540	0.6
98.06043	0.5
99.04459	1.8
100.07610	0.6
103.03954	0.8
105.01866	4.0
105.07035	1.2
107.04949	0.3
107.08594	1.1
108.08124	0.4
109.02886	1.3
109.06525	0.6
109.10161	1.2
110.09699	1.9
110.10334	0.3
111.08089	0.4
111.30240	0.3
117.05507	2.2
117.06971	0.3
119.08590	1.1
120.08115	0.9
121.06538	0.4
121.10172	0.4
122.09710	1.6
123.04414	0.4
123.08056	0.5
124.11238	1.0
125.05961	0.4
125.09634	1.0
127.03923	4.5
127.07616	0.3
133.06490	0.3
134.09659	1.6
135.08110	0.4
135.10413	0.6
136.07570	0.4
136.11226	3.5
137.09573	0.4
138.12772	0.8
139.11197	0.3
140.07021	0.4
143.08591	0.5
145.05000	2.6
145.10204	0.4
148.11195	1.3
150.09129	1.3
150.12805	0.5
152.10698	0.8
154.12199	0.3
155.10728	0.7
158.09613	0.3
159.02890	0.8
159.08040	0.3
160.11169	0.7
162.12781	4.1
166.12262	0.4
168.10201	0.9
170.11769	0.8
171.08127	0.4
172.11203	0.3
173.11763	0.5
173.13278	0.5
174.12775	0.4
176.10693	0.7
176.14375	1.9
180.13684	0.3
180.24907	0.3
182.11775	1.2
190.12315	0.4
191.14525	0.4
194.11783	0.4
205.08620	0.6
206.11780	0.9
208.13377	1.4
220.09531	0.3
220.13400	0.4
222.14908	0.4
228.17445	0.3
231.04968	1.3
234.14999	1.9
236.16452	17.8
237.16812	1.3
239.12894	0.6
246.14845	1.4
249.06073	0.8
249.11349	0.3
250.18044	0.4
262.14578	0.3
264.16092	0.3
264.19623	0.4
274.17972	0.8
278.17523	5.2
279.18079	0.5
288.16098	0.4
292.19223	1.8
294.20602	0.4
302.17511	0.5
306.17047	0.6
308.22400	0.4
320.18579	10.8
321.18900	1.1
324.21664	0.4
334.16498	1.4
334.20218	1.0
352.17661	5.5
352.21198	100.0
353.17514	0.6
353.21558	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	352.2122
Annotation	Stemonidine
Peak:m/z	Relative Intensity
51.99339	0.4
53.03963	0.6
55.01870	1.2
55.05517	1.8
56.05031	0.6
57.03438	1.4
57.07081	0.7
61.02914	1.1
67.05515	2.3
68.05007	0.4
69.03426	6.1
69.07093	1.9
70.06583	0.8
71.04993	2.0
73.02917	2.3
79.05506	1.9
80.05029	1.4
81.03420	2.1
81.07065	2.3
82.06595	0.9
83.04984	5.5
83.08630	0.6
84.04502	5.3
84.05284	2.5
84.08146	1.0
85.02906	10.2
85.06525	2.0
86.06078	1.6
87.04476	4.3
91.03972	0.7
91.05459	2.1
93.07059	2.6
94.06573	1.2
95.04961	3.0
95.08606	3.0
96.08121	1.0
96.47544	0.4
97.02902	3.3
97.06541	1.4
98.06044	0.6
99.04456	1.7
100.07610	0.6
103.03959	0.5
105.07033	3.4
106.06593	0.4
107.08591	3.2
108.08124	1.2
109.02903	0.9
109.06516	1.0
109.10168	1.2
111.08099	1.1
112.07610	0.4
113.05991	1.1
115.03936	11.5
115.04714	0.8
117.07027	1.5
119.08592	3.6
120.08083	0.7
121.06580	0.7
121.10126	3.7
122.09679	1.0
123.08077	1.0
124.07610	0.8
124.11236	0.6
125.05949	0.8
125.09671	0.6
126.09168	0.5
127.03907	4.5
127.07540	0.5
129.09195	0.4
131.08575	3.9
133.04965	2.6
133.10139	3.4
134.09657	1.1
135.08136	0.7
135.11684	0.7
136.07588	0.4
136.11179	0.6
137.05983	0.5
137.09627	1.6
138.09140	0.8
138.12973	0.5
140.10719	0.6
143.08630	1.0
145.04959	4.2
145.10143	2.3
147.08066	0.6
147.11690	1.4
148.11229	1.4
149.09615	0.8
150.09181	1.1
152.10748	1.2
155.10657	2.7
157.10170	0.9
158.08870	0.5
158.10927	0.8
159.11618	0.8
161.09637	0.8
161.13341	0.4
162.12810	0.9
163.06100	0.8
163.14873	1.0
166.12355	0.7
168.10252	0.8
169.11029	0.6
170.11798	0.8
172.07584	0.6
173.08096	0.3
173.09616	0.5
173.11739	0.9
173.13242	9.4
174.12851	0.4
175.09663	0.8
175.11295	0.4
175.14824	6.1
178.12289	1.1
180.50394	0.4
182.11800	1.4
187.11360	0.4
191.14333	1.5
192.13904	0.5
194.11784	0.7
194.15552	0.5
196.13348	1.7
202.15990	0.4
204.13919	1.5
208.13298	0.4
209.15370	0.5
212.12778	3.7
215.08965	0.4
220.13460	0.9
222.14931	1.4
232.13377	0.7
233.15395	0.6
236.16470	0.4
259.08237	0.7
277.09262	1.2
278.17581	1.4
288.19525	0.8
294.16830	0.4
299.16708	0.4
306.17218	0.9
306.20685	2.3
308.18964	0.4
308.22574	0.4
317.17670	0.5
324.21695	21.4
325.21982	1.8
334.18152	0.9
335.18683	0.6
352.17712	6.7
352.21243	100.0
353.21738	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	352.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03436	6.3
61.02930	3.3
67.05514	0.7
69.03439	0.9
69.07079	0.4
69.61100	1.1
71.04983	0.6
73.06552	0.6
79.05505	0.8
80.05036	0.6
83.04959	0.5
84.08173	0.4
85.02907	11.8
91.05502	0.6
93.07039	0.8
94.06564	0.5
95.04961	0.4
96.08112	0.6
99.04438	1.0
100.07576	0.6
105.01868	0.4
105.07035	0.8
106.06547	0.5
108.08134	0.5
108.11095	0.3
108.90768	0.4
110.09673	1.6
111.76344	0.3
117.05490	3.5
117.06189	0.5
117.07097	0.4
118.92499	0.4
119.08551	0.6
120.08099	0.6
122.09677	1.5
124.11251	0.5
125.09659	0.4
134.09657	1.1
135.06329	0.4
136.11215	2.6
148.11215	1.3
150.09145	1.1
152.10712	0.5
160.11221	0.7
162.12778	4.1
163.13388	0.4
164.10765	0.7
168.10139	0.7
174.12866	0.8
176.10703	0.6
176.14345	1.4
182.11772	1.4
190.16031	0.5
194.11752	0.7
234.14877	3.1
236.16451	23.8
237.16795	1.5
246.14748	0.5
250.18088	0.5
252.16173	0.4
262.14441	0.6
264.15973	0.4
274.18066	0.5
276.19577	0.5
278.17517	8.8
292.18756	0.4
302.17453	0.8
320.18564	10.1
321.18927	1.2
352.21173	100.0
353.18225	0.3
353.21515	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	352.2121
Annotation	Stemonidine
Peak:m/z	Relative Intensity
53.86485	0.3
54.51092	0.3
55.01871	0.6
55.05499	1.1
58.06593	1.0
67.05502	1.3
69.03432	3.9
70.06593	5.0
71.04987	2.8
72.08143	0.6
79.05484	1.2
80.05016	1.3
81.07038	1.9
82.06561	1.0
83.04969	1.3
83.07350	0.7
84.08138	2.8
85.02901	0.5
85.06525	1.8
86.06086	0.7
91.05470	1.4
93.07040	1.4
94.06554	0.8
95.04982	0.8
95.08598	2.1
96.08134	1.6
96.17811	0.3
97.06519	0.8
97.08917	0.5
98.06060	0.8
99.04437	1.4
100.07608	1.0
105.07026	0.8
108.08123	0.5
109.06487	1.0
109.10172	0.6
110.09689	0.9
111.04420	0.5
111.08077	1.0
111.10506	0.4
119.08530	0.8
120.08142	2.0
121.06474	0.5
122.09684	3.2
123.04349	0.4
123.08089	1.7
124.11216	0.7
125.05960	0.6
125.09625	1.5
126.09245	0.4
127.07529	0.6
128.07100	0.6
131.08562	0.7
134.09636	0.9
135.08060	0.8
135.94208	0.3
136.07564	0.4
136.11212	7.5
137.05972	0.4
137.09616	0.4
138.09119	0.4
138.12770	1.0
139.07535	0.5
141.05479	0.5
147.08113	0.4
149.05946	0.8
150.09163	3.3
150.12784	0.5
152.10699	0.6
154.11066	0.5
154.12276	6.1
155.06960	0.6
157.04980	0.5
159.08075	0.9
160.11223	0.4
161.09573	0.4
162.09038	0.3
162.12735	0.4
163.07553	0.5
164.14349	3.9
165.09149	0.6
166.08531	0.4
168.10234	2.3
176.10733	0.5
177.05524	0.4
177.09126	0.6
181.08589	0.6
182.11754	1.7
183.10175	3.6
184.13298	0.5
187.07597	1.0
189.09091	0.5
196.13332	0.6
197.08128	0.6
206.11797	0.6
219.10155	1.0
220.13335	0.6
221.11684	1.4
222.14986	0.7
224.16458	1.4
235.10799	0.5
236.12880	0.4
236.16420	1.2
237.11201	0.4
247.09634	1.0
248.12738	0.6
252.15923	0.4
254.13815	1.4
262.18042	0.5
264.19684	0.7
265.10727	2.2
278.13950	0.6
278.17532	1.3
282.16895	0.5
288.16037	0.6
292.15604	0.5
292.18979	0.9
294.17026	0.5
299.65820	0.3
306.17072	3.0
306.20306	0.6
334.16501	5.0
334.20126	0.6
335.16983	0.5
352.17413	54.1
352.21185	100.0
353.12125	1.2
353.17743	5.1
353.21530	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	352.2119
Annotation	Stemonidine
Peak:m/z	Relative Intensity
52.96949	0.2
55.01868	0.7
55.05490	0.4
56.05026	1.0
57.03423	0.3
59.04997	0.6
65.03951	0.4
67.05499	0.9
68.05003	0.3
69.03419	1.8
70.00146	0.4
70.00477	0.3
70.06604	0.4
71.04984	1.0
79.05485	1.8
80.05029	1.2
81.07041	0.8
82.06572	0.7
83.05010	0.2
89.35371	0.2
91.05480	10.9
93.07030	1.9
94.06560	1.0
95.04962	0.5
95.08607	0.6
96.08136	0.4
97.06516	0.8
99.04464	0.4
105.07023	0.9
106.06537	0.7
107.08578	0.7
108.01249	1.1
108.08125	0.6
109.06525	0.5
110.09711	0.5
111.08080	1.2
112.07605	0.3
117.06983	0.7
118.06554	0.3
119.08589	2.1
120.08103	1.3
122.09657	1.0
124.07605	0.8
125.05978	1.7
125.09636	0.4
131.08569	0.4
132.08098	0.7
133.10115	0.5
134.09654	2.9
135.08006	0.3
135.10429	0.3
136.11218	0.5
145.10115	0.8
146.09644	0.8
147.08041	0.6
147.10435	0.5
147.11589	0.3
147.34210	0.3
148.07582	0.5
148.11182	1.4
149.11967	0.4
150.09120	2.5
152.10712	0.7
153.09123	0.4
157.10115	0.4
158.09636	0.4
159.08018	0.2
160.11234	0.9
161.09624	0.3
161.12013	0.3
162.09135	1.0
162.12788	0.6
163.09882	0.3
163.11154	0.3
163.13275	0.2
164.10690	0.8
165.09123	0.3
172.11176	1.2
173.11964	0.3
174.12781	0.6
176.10727	0.9
177.62082	0.2
178.12244	0.6
180.10094	0.3
182.11736	0.6
183.03542	1.5
183.11707	0.4
184.04398	0.5
185.05145	1.0
186.12659	0.2
188.10764	0.4
190.12234	2.5
191.10652	0.3
196.13232	0.3
199.09465	0.2
200.14351	0.8
202.12315	0.7
204.13927	0.5
208.13391	1.1
214.12271	0.6
218.11775	0.5
218.15366	2.5
220.13344	1.0
222.14867	2.4
228.13838	1.0
232.13217	1.2
246.14890	11.8
247.15358	0.8
256.16940	0.7
261.08292	1.3
262.09091	2.4
264.15952	1.9
274.17987	2.2
278.17648	1.4
284.16684	0.4
292.19202	0.8
294.07993	0.7
302.17484	1.2
306.20630	0.3
320.18567	5.3
321.18860	0.3
334.16403	0.5
334.20135	3.0
340.54706	0.3
352.21176	100.0
353.14572	16.3
353.21332	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	352.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
55.51681	0.4
57.03441	6.9
59.86707	0.4
61.02936	3.5
67.05503	1.0
69.03432	1.2
69.07068	0.7
70.06593	0.5
73.06577	0.5
73.13814	0.4
79.05493	0.7
80.05028	0.9
81.07069	0.5
85.02911	12.2
85.03420	0.7
87.00867	0.4
89.86610	0.3
91.05473	0.4
93.07030	1.0
94.06568	1.0
96.08117	0.8
98.23454	0.8
99.04460	1.3
105.01901	0.4
105.07030	0.8
107.08582	0.4
108.08096	0.9
110.09690	2.1
114.24419	0.3
117.05499	3.8
119.08562	0.7
120.08127	0.8
122.09650	2.0
123.08130	0.4
124.11201	0.4
125.09642	0.5
131.08643	0.4
133.10091	0.5
134.09674	1.1
136.11255	2.8
137.12093	0.4
146.09689	0.4
148.11241	1.4
150.09114	1.1
152.10744	0.5
158.25972	0.4
160.11201	1.0
162.09119	0.5
162.12784	4.7
163.13387	0.5
164.10754	0.4
168.10176	0.5
174.12740	0.6
176.14349	2.2
182.11775	1.4
194.11749	0.6
211.93320	0.4
218.15237	0.7
222.14886	0.6
234.14920	3.5
236.16458	24.5
237.16833	1.5
246.14893	1.1
252.16010	0.5
262.14453	0.7
272.46436	0.5
274.17993	0.6
276.19644	1.0
278.17511	8.8
279.17914	0.9
292.19061	0.7
302.17474	0.6
308.22110	0.7
320.18588	11.5
321.19077	0.7
352.17780	3.5
352.21210	100.0
353.18140	0.3
353.21558	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	352.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99339	0.4
53.03963	0.6
55.01870	1.2
55.05517	1.8
56.05031	0.6
57.03438	1.4
57.07081	0.7
61.02914	1.1
67.05515	2.3
68.05007	0.4
69.03426	6.1
69.07093	1.9
70.06583	0.8
71.04993	2.0
73.02917	2.3
79.05506	1.9
80.05029	1.4
81.03420	2.1
81.07065	2.3
82.06595	0.9
83.04984	5.5
83.08630	0.6
84.04502	5.3
84.05284	2.5
84.08146	1.0
85.02906	10.2
85.06525	2.0
86.06078	1.6
87.04476	4.3
91.03972	0.7
91.05459	2.1
93.07059	2.6
94.06573	1.2
95.04961	3.0
95.08606	3.0
96.08121	1.0
96.47544	0.4
97.02902	3.3
97.06541	1.4
98.06044	0.6
99.04456	1.7
100.07610	0.6
103.03959	0.5
105.07033	3.4
106.06593	0.4
107.08591	3.2
108.08124	1.2
109.02903	0.9
109.06516	1.0
109.10168	1.2
111.08099	1.1
112.07610	0.4
113.05991	1.1
115.03936	11.5
115.04714	0.8
117.07027	1.5
119.08592	3.6
120.08083	0.7
121.06580	0.7
121.10126	3.7
122.09679	1.0
123.08077	1.0
124.07610	0.8
124.11236	0.6
125.05949	0.8
125.09671	0.6
126.09168	0.5
127.03907	4.5
127.07540	0.5
129.09195	0.4
131.08575	3.9
133.04965	2.6
133.10139	3.4
134.09657	1.1
135.08136	0.7
135.11684	0.7
136.07588	0.4
136.11179	0.6
137.05983	0.5
137.09627	1.6
138.09140	0.8
138.12973	0.5
140.10719	0.6
143.08630	1.0
145.04959	4.2
145.10143	2.3
147.08066	0.6
147.11690	1.4
148.11229	1.4
149.09615	0.8
150.09181	1.1
152.10748	1.2
155.10657	2.7
157.10170	0.9
158.08870	0.5
158.10927	0.8
159.11618	0.8
161.09637	0.8
161.13341	0.4
162.12810	0.9
163.06100	0.8
163.14873	1.0
166.12355	0.7
168.10252	0.8
169.11029	0.6
170.11798	0.8
172.07584	0.6
173.08096	0.3
173.09616	0.5
173.11739	0.9
173.13242	9.4
174.12851	0.4
175.09663	0.8
175.11295	0.4
175.14824	6.1
178.12289	1.1
180.50394	0.4
182.11800	1.4
187.11360	0.4
191.14333	1.5
192.13904	0.5
194.11784	0.7
194.15552	0.5
196.13348	1.7
202.15990	0.4
204.13919	1.5
208.13298	0.4
209.15370	0.5
212.12778	3.7
215.08965	0.4
220.13460	0.9
222.14931	1.4
232.13377	0.7
233.15395	0.6
236.16470	0.4
259.08237	0.7
277.09262	1.2
278.17581	1.4
288.19525	0.8
294.16830	0.4
299.16708	0.4
306.17218	0.9
306.20685	2.3
308.18964	0.4
308.22574	0.4
317.17670	0.5
324.21695	21.4
325.21982	1.8
334.18152	0.9
335.18683	0.6
352.17712	6.7
352.21243	100.0
353.21738	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	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37746	0.3
53.03933	1.0
55.01859	0.9
55.05501	1.4
57.03424	1.4
57.07073	4.8
60.04525	1.8
61.02916	1.1
65.85009	0.3
67.05503	3.9
68.05017	0.5
69.03062	0.5
69.03431	8.9
69.07067	13.4
70.02171	0.4
70.06599	2.6
70.51424	0.8
71.04635	0.6
71.04993	8.2
72.08167	0.4
73.02895	1.3
74.76378	0.4
79.05491	2.6
80.04997	1.0
81.03417	3.3
81.07054	4.5
83.04974	0.9
83.08614	0.6
84.04524	0.4
84.08141	1.2
85.02903	13.5
85.06060	0.4
85.06539	6.1
86.06064	0.7
86.09692	1.4
87.00829	6.1
91.05514	1.8
93.07047	5.0
93.29999	0.4
94.06564	1.2
95.04948	1.0
95.08028	0.5
95.08605	4.6
96.08087	0.5
97.02893	9.3
97.06492	0.6
98.06052	0.9
99.04460	2.7
99.08067	1.7
102.05533	3.5
105.01865	13.6
105.07030	2.0
106.06548	0.6
107.04941	0.4
107.08585	2.9
108.08089	0.6
109.02876	3.1
109.06477	0.7
109.10150	2.2
110.09638	0.5
111.08049	1.4
119.08550	1.5
120.08102	1.9
121.10127	1.7
122.09671	1.8
123.08019	0.6
124.07583	0.9
125.06042	0.4
125.09635	0.5
127.03912	11.9
127.04857	0.6
128.07065	0.8
131.08536	1.1
133.10109	0.9
134.09613	0.7
135.11681	1.0
136.06165	1.4
136.07547	0.8
136.11212	1.5
137.09598	1.1
138.09135	0.6
139.11166	0.9
141.01862	0.8
145.04959	9.6
145.10088	0.6
147.11664	0.9
148.11160	0.9
150.09152	2.5
152.10706	1.1
155.10635	1.8
155.14284	0.4
159.02875	1.7
159.10164	6.3
159.11479	0.6
160.11176	0.5
163.11192	0.6
163.13458	0.4
164.10785	0.5
164.14265	0.6
168.10237	2.8
173.09569	0.5
173.11714	1.0
173.13185	0.5
174.12764	0.7
177.11200	2.5
180.10164	1.0
182.11763	3.0
183.13895	0.5
198.11198	1.6
202.12366	0.8
204.13686	0.4
207.11267	1.4
208.13455	0.7
213.03900	0.5
220.11867	1.3
231.05023	4.7
234.14967	0.4
249.06053	2.7
262.61914	0.5
264.19583	1.1
278.21161	0.4
280.22675	0.5
292.18967	0.6
294.20599	1.1
298.23727	1.5
307.37750	0.4
308.18616	0.5
308.22134	1.0
316.24942	3.0
324.21930	0.5
334.16379	1.8
334.26334	4.0
335.12445	0.4
352.17453	6.5
352.21313	7.3
352.24738	100.0
353.17792	0.9
353.22021	0.6
353.25122	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	352.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92694	0.7
55.01870	2.0
55.05512	4.9
56.05030	1.7
57.03446	1.2
57.07080	0.9
60.04527	19.7
62.18860	0.7
65.03910	1.4
67.05505	14.4
68.05028	1.8
69.03424	2.7
69.07066	4.0
69.42319	2.4
70.02953	1.7
70.06588	1.0
71.04990	2.5
73.02939	1.8
74.06062	1.5
79.05492	8.5
80.05022	4.6
81.03431	1.9
81.07055	19.2
82.06587	2.9
83.04980	3.2
83.08614	2.4
84.04510	1.3
84.08144	1.0
85.02917	0.9
85.06538	1.8
87.04496	0.7
90.05590	0.7
91.05486	7.7
93.07041	11.1
94.06548	1.3
95.04979	2.6
95.08604	14.0
97.06530	1.7
97.10168	1.1
98.06036	1.1
98.23473	1.4
99.08107	1.3
102.05539	37.1
103.03939	0.9
105.07056	4.9
106.06541	1.1
107.04972	1.1
107.08593	6.0
108.08069	0.8
109.06532	1.0
109.10146	7.2
110.06021	0.9
111.08072	1.2
117.07002	2.1
119.04906	0.7
119.08580	6.7
120.06573	7.8
120.08060	1.5
121.06485	1.1
121.10143	8.3
122.09732	1.2
122.10706	0.7
123.07970	0.9
123.11711	2.2
125.09647	0.7
128.06250	0.7
128.07149	1.1
129.06996	1.0
131.08589	4.3
133.10114	4.4
134.09608	1.0
135.10466	0.9
135.11676	3.3
142.08655	1.2
145.10085	4.1
147.11711	3.2
149.13272	1.6
155.08519	1.3
159.11693	2.2
161.09612	11.9
161.13264	2.1
162.12801	0.7
163.14816	2.4
173.09595	3.8
173.13342	0.8
191.10675	2.7
215.17973	1.3
221.38022	0.8
233.18915	0.8
251.20009	1.1
262.21652	2.9
264.15970	9.2
280.22708	7.5
294.16925	0.8
298.23755	18.3
299.24167	1.4
316.24823	42.8
317.25143	3.5
334.25861	50.0
335.26035	2.6
345.33267	0.7
352.17407	8.7
352.21213	29.5
352.26904	100.0
353.17776	0.9
353.21448	2.7
353.27499	7.4
367.77933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.81444	0.4
55.01873	1.2
55.05505	4.0
56.05038	1.6
57.03431	2.9
57.07074	7.4
59.04996	1.9
60.04247	0.9
60.04528	13.7
61.02928	1.6
64.42924	0.5
67.05505	11.9
68.05034	2.1
69.03429	6.9
69.07068	11.7
69.98892	0.5
70.06593	1.2
70.15617	0.5
70.61516	0.8
71.04999	6.4
73.02917	1.9
74.06102	0.9
75.01919	0.4
77.03935	0.4
79.05487	8.0
80.05017	3.3
81.03419	3.7
81.07056	14.9
82.06593	1.4
82.07378	0.6
83.04974	2.9
83.08627	1.9
84.04513	1.7
84.08151	1.8
85.02903	13.1
85.06544	9.4
86.06078	0.8
86.09713	1.7
87.00835	4.2
87.04475	1.2
90.05553	0.7
91.03974	0.5
91.05483	6.7
93.07040	10.0
93.07612	0.8
94.06560	0.8
95.01356	0.8
95.04969	3.2
95.08604	15.1
95.09214	0.8
96.08136	0.9
96.08955	0.5
97.02892	8.3
97.03483	0.7
97.06542	2.1
98.06066	0.6
99.04450	3.7
99.08074	1.2
100.07594	0.7
101.06004	3.1
102.05540	23.5
103.03915	0.6
105.01865	10.4
105.07034	5.4
106.06589	0.6
107.04972	1.5
107.07925	0.7
107.08601	6.6
108.08097	1.1
108.08875	0.5
109.02869	2.5
109.06528	2.9
109.10147	7.9
110.06030	1.2
111.04474	0.6
111.08074	2.4
112.07613	0.8
113.05944	0.7
113.09643	0.9
115.03948	0.8
117.07008	1.9
119.08577	4.3
120.06586	4.1
120.08079	1.3
120.43801	0.5
121.06464	0.8
121.10159	5.4
122.09667	1.4
123.08076	1.3
123.11716	0.9
124.07595	0.8
125.09625	1.0
126.09184	0.5
127.03908	10.2
127.07557	1.1
127.11253	0.7
128.07068	0.7
129.07057	0.8
129.09079	0.6
131.08589	3.3
132.08142	0.8
133.06453	0.6
133.10127	4.4
134.09671	1.9
135.08020	1.1
135.10670	0.4
135.11678	3.1
136.07635	0.8
136.11200	0.9
137.06010	1.6
137.09610	7.1
138.09131	0.7
141.01855	1.8
141.09178	0.5
143.08543	0.9
145.04962	7.4
145.09035	0.6
145.10083	3.1
146.09671	0.6
147.08102	0.5
147.11700	1.8
149.09598	1.0
149.13231	1.4
150.09177	1.7
150.28990	0.7
152.07042	0.7
152.10730	0.6
153.09128	0.7
155.01604	0.7
155.07068	0.7
155.10669	7.6
155.14339	0.8
157.10164	0.7
159.02907	1.1
159.10173	7.8
159.11583	1.0
160.11221	0.9
161.09634	0.8
161.13232	0.8
162.12755	0.8
163.14825	1.1
164.10699	0.6
164.14352	1.0
168.10216	2.2
171.11714	0.8
172.11119	0.5
173.08127	0.7
173.11749	10.0
173.13214	1.0
173.15338	0.5
175.14815	1.3
177.11194	1.7
177.16438	0.7
180.10162	0.6
182.11812	1.1
184.11261	0.7
187.40155	0.5
191.07095	0.6
191.14258	0.6
192.10228	0.5
194.11929	0.7
202.12331	0.6
206.11710	0.6
208.13312	4.5
215.18024	1.0
220.13364	1.2
222.11319	0.7
231.04930	4.4
233.19064	0.8
234.14948	0.5
241.99573	0.5
244.20659	0.6
249.06070	2.9
250.14412	1.5
260.16626	0.8
262.21741	2.1
264.15948	0.8
269.21210	0.8
272.16391	0.8
278.17493	0.6
278.20972	0.6
280.22711	5.0
290.17645	0.7
291.15817	3.2
292.19205	1.0
298.23752	10.6
299.24298	0.8
308.18607	2.8
316.24832	25.2
317.25153	2.0
320.18658	1.8
324.18051	1.1
324.21500	1.1
334.16718	3.8
334.25870	32.4
335.26215	2.1
352.17447	14.2
352.21194	100.0
352.26871	58.8
353.18033	1.1
353.21509	9.7
353.27209	5.3
355.16473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.8
56.05024	5.8
57.07051	2.5
58.02956	6.3
58.06599	3.5
62.37937	3.0
67.05506	27.1
69.07085	13.2
70.06595	36.2
70.71767	4.1
71.05000	3.1
79.05492	18.6
81.07058	26.8
82.06586	14.2
83.08622	5.9
84.04490	5.3
84.08102	3.3
91.05486	8.1
93.07051	11.6
94.06569	7.5
95.07371	2.9
95.08597	17.3
96.08127	9.1
97.10180	3.2
100.11240	3.6
105.07036	6.3
107.08620	8.6
108.08102	3.7
109.10170	8.2
110.09667	3.8
111.08068	5.2
114.12791	4.2
119.08580	5.4
120.08089	3.7
121.10136	3.0
123.11742	2.8
126.12817	27.7
129.30150	2.3
131.08545	2.8
134.09622	4.2
135.10455	4.9
135.11642	4.4
137.50809	2.5
138.12764	6.3
148.11220	6.8
149.43210	2.3
152.14314	3.5
154.12296	10.9
154.86771	2.7
162.12750	4.1
163.13576	5.1
166.15901	25.0
180.13838	7.3
190.51930	2.7
196.13373	3.6
208.13431	4.1
212.16472	29.1
220.17015	4.5
240.15897	7.2
252.19603	32.3
307.38458	2.6
334.16452	7.2
334.27332	5.9
352.17599	65.4
352.28479	100.0
353.17856	7.3
353.28946	8.5
362.82532	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.5
70.60198	8.0
71.05008	10.2
71.90522	4.9
79.02310	5.4
84.08145	8.7
98.97575	9.7
111.08092	7.4
127.02480	6.7
129.03954	5.8
130.04099	6.0
131.03702	6.3
148.11244	7.8
158.03642	12.7
165.43782	6.0
175.04474	9.6
176.04694	21.0
177.04147	7.8
190.98679	11.4
203.34695	6.4
208.99725	7.9
210.06836	8.1
210.14911	10.5
227.07649	7.6
228.07877	15.8
232.99818	6.7
240.08017	5.9
251.00845	7.3
256.07373	12.4
257.06967	5.8
274.08411	30.8
284.06836	8.4
302.07788	27.2
303.07462	10.6
307.07156	7.1
330.07394	27.0
331.06863	9.1
335.05881	5.6
335.17026	8.0
336.17966	18.8
344.29230	6.4
348.08536	11.2
352.17566	15.6
353.09030	100.0
353.17807	67.0
354.15173	11.8
354.19098	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
55.01873	0.9
56.96567	0.7
57.03430	1.0
57.29416	0.5
67.05505	0.9
69.03423	1.7
69.07049	1.4
70.06595	1.0
71.04992	1.2
71.21521	0.8
73.02908	0.9
73.93136	0.4
80.05039	0.6
81.03420	0.6
81.07039	0.5
82.19705	0.5
84.08151	1.4
85.02899	1.9
85.06529	1.6
87.08122	0.7
95.04965	2.0
95.13881	0.4
96.08121	0.8
97.02894	1.1
101.02409	3.2
104.99302	0.6
109.02872	0.6
111.08082	2.3
113.06004	22.9
115.03906	1.0
119.08599	0.6
120.08124	0.7
127.03919	1.6
131.07031	10.9
132.33220	0.5
134.09697	0.6
136.11198	0.9
137.04581	1.5
137.11568	0.8
139.07605	2.5
139.08475	0.6
154.07214	1.0
154.12300	0.8
157.08647	2.2
175.09674	1.8
182.11792	0.8
185.04207	6.3
190.02335	1.4
191.03148	4.8
208.13396	0.6
222.13519	0.9
252.70990	0.5
281.30350	0.5
307.17416	0.5
335.12402	1.4
335.16727	1.5
336.17963	5.5
352.17554	2.1
352.20932	0.9
353.08426	100.0
353.17661	12.9
354.08527	4.7
354.19067	13.8
354.22818	1.8
369.49222	0.5
370.86688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
50.13859	1.7
69.03432	3.4
71.02126	2.0
71.02473	2.2
73.54338	1.7
78.17391	1.7
78.60697	1.7
85.02903	4.4
97.02874	2.3
112.89619	4.0
114.67372	1.7
123.66853	1.9
127.03934	3.2
131.00218	2.2
135.35458	1.8
143.01909	5.3
149.01233	3.7
155.01906	3.4
161.02911	3.0
172.90833	4.4
173.02928	2.1
190.98662	4.5
192.05518	3.6
201.99898	1.8
203.03996	2.5
207.14989	1.9
208.99834	2.1
232.99643	3.5
245.05090	4.5
263.06305	2.1
264.07486	2.3
293.05450	2.6
346.20969	1.7
353.08459	100.0
354.08890	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	353.102
Annotation	Candidusin A
Peak:m/z	Relative Intensity
51.02383	0.5
53.03938	0.3
57.02261	0.2
65.03923	0.3
67.05511	0.9
69.07036	0.2
69.45609	0.7
77.03934	1.0
79.05490	3.0
81.07056	1.2
91.05493	0.5
93.07043	0.9
95.04964	0.9
95.08600	0.8
99.08066	0.2
105.03412	1.0
105.04511	0.6
105.06984	0.2
107.08571	0.4
109.10138	0.3
115.05463	1.8
117.07027	0.8
121.02858	0.3
121.10146	0.5
122.08563	0.2
123.11650	0.2
131.08553	0.3
133.10149	0.2
135.04417	100.0
135.11725	0.4
136.04753	3.1
143.04927	3.2
145.06509	0.2
145.10194	0.2
147.11708	0.2
149.02347	11.8
149.03389	0.6
149.13316	0.2
149.87688	0.2
150.02657	0.3
159.11728	0.2
161.13292	0.3
163.14786	0.3
172.08340	0.2
173.05988	1.9
173.13264	0.3
186.37682	0.1
195.31552	0.2
201.05496	1.5
203.07036	2.5
217.91188	0.2
243.21063	0.3
261.22217	0.7
265.08414	0.3
275.06903	0.2
318.16928	0.3
323.09137	11.0
324.09430	0.5
353.10193	24.3
354.10611	1.8
354.19479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1023
Annotation	(E)-Gadain
Peak:m/z	Relative Intensity
51.02169	0.2
51.02381	0.4
53.03933	0.3
55.01865	0.4
55.05495	0.2
57.82412	0.2
65.03932	0.7
67.05495	0.4
68.99788	0.2
69.03415	0.4
69.07074	0.2
70.06590	0.2
70.17178	0.5
77.03927	0.7
79.05499	3.0
81.03407	0.7
81.07030	0.5
83.42514	0.2
91.05492	0.3
93.03348	0.2
93.07040	0.4
95.04961	1.0
95.08595	0.2
97.06518	0.3
99.36857	0.2
105.03395	0.9
105.04498	0.4
107.08601	0.4
109.10124	0.3
115.05451	2.0
117.07018	0.9
121.02877	0.9
121.10179	0.4
123.04438	0.3
128.06218	0.3
129.07048	1.0
131.04916	0.2
131.08542	0.2
133.10144	0.2
135.04411	100.0
136.04761	2.5
136.11195	0.5
139.03918	0.3
143.04913	3.3
145.06497	0.5
147.04419	0.2
149.02342	19.5
149.03386	1.0
150.02765	0.5
151.03886	0.4
157.06483	1.1
158.80336	0.3
159.04424	0.2
159.46886	0.2
163.03929	0.5
171.04376	0.7
173.05971	3.0
175.03900	0.3
175.07610	0.3
185.05977	0.6
187.07552	0.7
191.08600	0.4
201.05473	4.2
203.07047	3.2
213.05473	0.4
217.06627	0.2
219.08073	1.1
231.06380	0.5
235.07471	0.3
247.07498	1.2
249.09206	0.4
259.07550	0.8
262.06195	0.3
263.07037	0.3
265.08578	0.5
275.07034	0.6
277.08646	1.2
280.07458	0.2
287.07007	0.4
293.07974	0.5
305.08078	1.1
307.09583	0.5
317.08121	1.0
318.17017	0.6
323.09137	11.0
324.09427	0.8
335.09134	1.9
353.10175	23.0
353.18713	0.8
353.22363	1.4
353.69119	0.3
354.10422	1.6
354.19040	0.4
374.96463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25217	5.1
67.05502	6.6
71.21055	4.9
71.45618	6.3
76.07607	5.7
81.07052	7.2
85.36524	6.2
93.07085	6.8
97.02879	6.7
105.06977	6.4
105.11335	5.8
108.38990	5.7
116.98626	6.5
121.02667	9.2
121.10162	8.6
123.11688	6.8
129.18259	5.9
130.70955	6.5
134.43684	5.6
157.76573	5.7
166.93002	5.2
167.10452	6.7
171.79465	6.1
178.65338	5.2
206.08075	10.1
209.00583	53.2
227.01570	8.7
234.99757	5.2
352.21115	7.5
352.24930	6.3
353.12027	100.0
353.18213	8.4
353.22635	33.9
354.18732	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	353.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51313	0.7
56.43321	0.7
57.03426	4.5
57.07075	62.8
58.07399	1.4
60.66266	0.6
61.02934	1.1
61.69951	0.6
67.05447	0.9
69.03424	1.6
70.06577	0.7
71.01334	1.2
72.08149	1.6
73.02920	1.6
75.04485	0.8
81.07027	1.2
84.08118	1.4
85.02913	8.9
85.06541	72.4
86.06878	1.9
89.11840	0.7
93.07083	1.1
95.01332	6.7
96.80225	0.9
97.02914	0.8
99.00836	1.0
101.02389	0.8
103.03979	0.9
103.07576	7.6
113.02356	2.7
120.08070	1.0
127.03900	1.0
131.03343	1.9
133.10103	0.7
141.00702	0.9
141.01817	15.4
142.02173	0.8
146.06006	20.4
150.55547	0.7
155.08539	3.2
158.07335	0.8
159.02910	1.7
159.10164	100.0
160.10512	2.4
160.11691	0.9
167.07077	0.8
167.09050	0.7
173.09610	6.9
173.13342	0.9
177.11217	30.8
191.14293	7.0
192.06535	10.1
224.59164	0.7
248.16437	1.0
306.17688	0.7
317.12341	1.5
353.21420	1.2
353.25146	4.0
354.19101	1.3
354.22864	1.5
376.18167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51313	0.7
56.43321	0.7
57.03426	4.5
57.07075	62.8
58.07399	1.4
60.66266	0.6
61.02934	1.1
61.69951	0.6
67.05447	0.9
69.03424	1.6
70.06577	0.7
71.01334	1.2
72.08149	1.6
73.02920	1.6
75.04485	0.8
81.07027	1.2
84.08118	1.4
85.02913	8.9
85.06541	72.4
86.06878	1.9
89.11840	0.7
93.07083	1.1
95.01332	6.7
96.80225	0.9
97.02914	0.8
99.00836	1.0
101.02389	0.8
103.03979	0.9
103.07576	7.6
113.02356	2.7
120.08070	1.0
127.03900	1.0
131.03343	1.9
133.10103	0.7
141.00702	0.9
141.01817	15.4
142.02173	0.8
146.06006	20.4
150.55547	0.7
155.08539	3.2
158.07335	0.8
159.02910	1.7
159.10164	100.0
160.10512	2.4
160.11691	0.9
167.07077	0.8
167.09050	0.7
173.09610	6.9
173.13342	0.9
177.11217	30.8
191.14293	7.0
192.06535	10.1
224.59164	0.7
248.16437	1.0
306.17688	0.7
317.12341	1.5
353.21420	1.2
353.25146	4.0
354.19101	1.3
354.22864	1.5
376.18167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00234	0.7
53.03959	1.6
54.14723	0.7
55.01867	1.5
57.03437	5.4
57.07077	5.7
59.05008	1.2
61.02936	3.9
67.05503	0.8
69.03433	19.8
71.01363	0.9
71.04998	2.2
71.22239	0.8
73.02912	2.8
79.64220	0.7
80.78799	0.7
81.03426	9.8
84.08144	1.5
85.02908	61.1
85.06543	5.8
86.03218	0.9
87.04473	25.5
88.04783	0.7
91.03958	2.1
95.04976	1.5
97.02895	14.5
99.04440	4.1
101.02380	1.1
103.03960	0.7
105.01848	1.0
109.02883	8.2
111.08096	1.0
115.03933	100.0
116.04278	2.1
119.43169	0.7
121.06391	1.0
127.03922	32.7
128.04225	0.8
131.08592	0.8
133.04970	23.4
136.11191	1.6
145.04965	28.5
157.04982	1.1
159.09068	0.9
159.10202	10.9
160.10530	0.7
163.06029	5.7
167.07068	0.8
177.11224	2.3
183.00246	0.7
201.10165	1.5
214.65022	0.9
241.07193	1.1
259.08145	7.1
277.09256	7.6
290.17535	1.2
308.18594	1.4
335.12418	1.8
335.16458	0.9
336.18100	4.9
353.17587	9.5
353.21533	3.1
354.19104	20.6
354.22833	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	353.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01872	2.0
55.05502	0.9
57.03442	4.1
57.07067	1.1
58.03928	0.6
59.04989	1.3
61.02928	4.6
67.05494	0.7
69.03065	1.3
69.03434	22.4
69.07063	1.5
69.52116	1.6
69.52526	1.4
70.06570	0.8
71.04993	2.5
73.02923	3.9
79.05507	1.1
80.05041	0.7
81.03421	11.3
81.07052	2.0
83.04980	1.1
85.02909	65.9
85.06534	1.5
86.03235	1.4
87.04472	24.7
91.03954	2.2
91.05497	1.4
93.07055	1.8
94.06573	0.6
95.04973	1.4
95.08612	1.9
97.02897	18.3
99.04457	4.4
101.02368	1.2
103.03938	2.0
105.07041	3.8
107.08605	1.7
109.02873	8.1
109.06532	0.9
109.10163	0.8
111.08066	1.2
115.03935	100.0
116.04272	2.2
119.08562	3.2
121.10143	3.3
127.03922	29.0
128.04233	0.8
129.05487	0.7
131.08543	4.0
133.04977	22.1
133.10141	2.2
138.09134	0.6
143.07185	0.6
143.08530	1.1
145.04965	29.6
145.10133	1.8
146.05301	1.0
147.11658	1.5
157.04971	0.7
159.07990	0.7
159.11736	0.8
161.09602	1.1
163.06035	5.9
163.14819	1.8
166.98378	0.6
167.07042	1.0
173.13240	10.1
175.14839	6.7
186.78775	0.6
189.12697	0.7
191.14355	1.6
209.15425	1.1
210.53349	0.6
217.07248	0.9
241.07019	1.5
259.08200	6.1
277.09198	7.4
308.18518	1.0
317.12534	1.0
325.21869	1.5
335.18579	0.6
336.18054	2.1
346.06970	0.6
353.17471	0.7
353.21793	6.1
354.19040	7.6
354.22552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59861	0.1
51.67449	0.1
56.65770	0.1
59.06237	0.1
65.03941	2.0
70.69920	0.2
74.33620	0.1
77.03930	0.3
79.05496	1.2
79.89740	0.1
91.05479	55.0
92.05817	1.7
95.05019	0.2
107.00484	0.9
108.01274	7.6
109.01608	0.3
116.12524	0.1
126.02332	0.4
152.06215	0.2
154.07770	0.2
183.03587	8.5
184.04362	2.4
185.05144	5.0
186.05519	0.2
197.87553	0.1
201.04700	0.3
202.05431	0.3
261.08295	7.9
262.09052	15.5
263.09384	1.0
293.07413	0.7
294.08026	4.3
295.08292	0.3
353.14514	100.0
354.14905	10.8
354.19009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01867	0.9
55.05279	0.7
55.05512	3.5
57.03436	1.9
57.07077	2.1
61.02928	1.2
61.42508	0.6
65.03935	0.9
67.05505	2.2
69.03433	17.1
69.07072	11.0
70.03787	0.7
70.06577	0.7
71.04996	3.3
72.48634	0.5
73.02914	1.3
77.03942	0.6
79.05502	4.4
81.03436	2.7
81.07066	9.8
83.04989	3.6
83.08630	3.9
84.08161	1.3
85.02905	7.6
85.06548	4.7
85.83955	0.5
86.03257	0.9
87.00831	0.7
87.04467	1.6
91.05482	5.9
93.07040	5.5
95.04982	2.3
95.08611	7.8
97.02901	5.4
97.06551	1.9
99.04465	1.5
99.08099	2.2
105.01901	1.4
105.07031	7.1
107.04959	1.3
107.08607	13.4
107.36873	0.5
109.02849	1.7
109.06525	8.0
109.10150	2.0
111.08065	3.5
115.03943	0.6
117.07019	1.4
119.08592	10.2
120.08067	0.9
120.08936	0.8
121.06525	3.8
121.10150	10.7
123.08076	4.0
123.11685	0.7
125.06033	0.8
125.09590	0.7
127.03938	4.8
128.04259	0.8
129.06950	1.3
130.07632	0.5
131.08572	6.8
133.10127	10.8
135.08057	11.7
135.11699	7.6
137.09607	1.6
139.11121	0.6
143.08578	2.9
145.04956	2.5
145.10109	5.2
147.08029	1.1
147.11731	3.2
149.09630	5.4
149.13213	2.9
153.82098	0.6
155.01602	0.8
155.08592	4.0
155.14334	2.5
156.01973	0.7
156.11110	0.7
158.07274	0.7
158.10898	3.6
159.08052	0.7
159.11586	0.8
161.09622	1.1
163.13506	0.9
163.14832	12.1
167.07086	0.8
173.09625	8.4
173.13255	16.5
173.14909	0.9
173.15419	1.0
174.13510	1.1
175.14821	8.3
191.07089	1.2
191.14317	100.0
192.14697	6.6
209.15341	2.3
255.76971	0.6
274.43079	0.5
296.18683	0.6
304.36969	0.6
318.17111	0.7
321.18723	1.8
326.19656	1.0
335.17035	1.9
336.18323	1.6
353.18213	9.1
353.21347	7.1
354.18903	3.7
354.22672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
53.90619	1.3
55.01871	3.2
55.05523	6.7
55.45818	1.2
57.03439	5.4
57.07069	4.8
59.04991	2.1
61.02940	6.6
67.05507	9.6
68.25954	1.4
69.03431	36.5
69.07063	9.6
69.29629	6.8
71.04995	10.8
73.02921	6.8
74.60535	1.4
79.05499	8.2
80.90652	1.2
81.03418	14.6
81.07059	14.1
81.98030	1.3
83.04978	6.5
83.08612	3.6
84.08113	1.3
85.02908	79.7
85.06549	10.3
86.03241	2.6
86.06898	1.4
87.04470	31.4
91.03954	3.1
91.05483	12.9
91.72034	1.2
93.07049	17.9
95.04978	11.8
95.08614	8.8
97.02898	24.7
97.06541	2.6
99.04446	10.1
101.02393	1.8
103.03946	3.0
103.05499	1.5
105.07034	30.7
105.07739	2.2
107.08595	24.2
109.02881	11.5
109.06519	5.6
109.10171	4.2
111.04433	3.1
111.08095	4.5
113.06004	7.6
115.03934	100.0
116.04256	3.1
116.06208	1.5
117.07026	5.4
119.08583	31.1
120.08897	3.0
121.06495	3.6
121.10146	32.8
122.10535	1.9
123.04394	1.9
123.08085	2.3
125.06032	1.3
127.03923	35.8
128.06229	1.4
129.07008	3.9
131.08574	31.7
132.08926	1.5
133.04968	19.6
133.06529	2.1
133.10127	18.7
134.05193	1.4
135.08060	4.4
135.11697	4.2
137.09592	1.6
141.06966	1.5
142.07727	1.5
143.08551	7.5
144.09395	2.8
145.04976	32.7
145.10089	16.7
147.08067	2.5
147.11682	16.5
149.05991	1.3
149.09613	2.0
149.13231	2.3
155.08556	2.5
155.10632	2.1
157.08813	1.2
157.10153	3.6
158.10971	6.3
159.08087	2.1
159.11688	3.4
161.09624	5.3
161.13261	1.4
163.06029	5.7
163.14801	13.8
167.07098	2.1
169.10240	1.5
171.11659	4.4
173.09618	5.5
173.13260	96.2
174.13641	6.0
175.14824	58.2
176.15140	3.4
179.03371	1.6
185.13260	2.7
189.09134	2.0
189.12726	1.8
191.10658	2.8
191.14261	11.5
195.10214	2.8
201.12723	1.3
203.14465	1.8
209.15289	7.3
233.15361	2.3
245.15448	2.1
252.16191	1.7
258.18793	1.4
259.08118	6.7
260.08646	1.2
271.16956	1.3
275.16315	1.5
277.09064	6.5
287.16614	2.2
299.16428	5.0
308.18500	2.0
317.17493	2.8
318.17337	1.7
325.22046	10.0
335.12643	1.9
335.18484	4.9
336.18033	7.2
353.21783	45.3
354.18893	20.2
354.22470	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	353.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.4
56.96564	9.6
60.50695	4.7
67.05508	36.6
67.36240	4.4
69.07050	7.7
69.19389	24.4
71.08628	9.3
79.05493	18.5
81.07059	35.4
84.08141	17.8
91.05473	14.1
93.07047	22.8
95.08607	27.1
99.08109	6.5
105.07019	11.1
107.08587	15.0
109.10145	7.2
119.08585	12.5
121.10123	10.1
121.25949	4.9
122.09649	6.4
133.10109	7.5
135.11681	7.0
146.10699	5.5
149.13327	9.4
167.03889	4.6
210.14986	7.1
233.69662	5.7
261.22037	26.5
267.72540	5.6
335.19049	27.3
336.18109	16.9
353.20676	100.0
353.26630	17.0
354.18979	89.4
371.21030	12.8
372.60873	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16622	0.2
70.70011	0.2
99.66087	0.2
102.12306	0.2
103.09799	0.2
111.17792	0.3
123.05674	0.2
202.12950	0.2
335.21780	0.7
353.22955	100.0
354.23312	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74292	1.0
69.51833	1.2
81.07040	1.1
97.02892	1.4
98.97525	1.0
135.04430	6.1
149.02371	1.6
175.40065	1.2
193.27304	1.2
250.09303	1.4
258.96606	1.2
302.18686	1.1
312.52460	1.2
353.22949	100.0
354.23239	7.2
357.24341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11906	3.4
70.12246	1.7
135.04408	2.5
335.21909	2.0
353.22940	100.0
354.23273	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	353.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95300	0.5
63.44099	0.5
67.05490	1.5
69.60541	1.0
69.60887	1.7
70.06606	1.1
72.02667	0.6
79.05471	0.9
84.08138	1.7
91.05484	11.8
94.16525	0.6
102.30931	0.6
108.01295	2.2
122.09713	0.9
128.50943	0.6
135.04391	1.1
136.11209	0.9
150.07759	1.5
183.03618	2.7
185.05138	1.7
210.14841	1.2
261.08292	2.1
262.09091	2.7
291.22894	6.2
293.07300	0.8
294.08148	1.6
307.22437	11.4
335.17346	0.8
335.21841	8.9
336.18140	1.7
353.14432	20.9
353.22949	100.0
354.14764	1.7
354.19028	11.1
354.23267	7.3
359.12653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94524	0.7
55.05500	0.9
56.30493	0.6
69.79366	1.5
70.06606	1.0
71.05005	0.9
71.08641	0.7
77.60284	0.6
79.05479	0.8
80.79951	0.6
81.07056	0.7
84.08139	4.8
89.02110	0.6
90.37233	0.7
91.05476	4.9
93.07045	1.0
95.08607	0.8
103.16354	0.6
105.07010	0.9
121.06512	1.6
122.09646	1.1
136.11246	1.0
139.07513	1.0
140.13228	0.7
150.07777	1.5
151.07520	4.2
164.31625	0.6
191.07022	1.1
207.10315	0.9
208.19836	0.7
210.14967	1.5
261.08569	1.3
262.08871	0.7
265.80121	0.8
289.08505	1.1
306.98248	0.8
307.22324	0.8
316.83655	0.7
321.11261	1.1
335.21924	34.3
336.17984	2.2
336.22180	2.3
353.14285	6.4
353.22946	100.0
354.14676	0.9
354.19040	13.9
354.23184	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	353.2686
Annotation	Montanol
Peak:m/z	Relative Intensity
55.04015	0.9
55.05517	8.4
56.93395	1.0
57.03420	4.2
57.07076	100.0
58.07403	2.4
62.01353	1.0
65.03940	1.5
67.05165	1.7
67.05505	25.3
67.05859	1.5
69.07066	40.2
69.16055	6.0
71.05006	5.5
74.81767	1.1
79.05495	17.2
81.07059	9.2
83.05003	1.1
83.08626	10.5
85.06510	2.0
91.05470	2.8
93.07045	22.4
95.04965	1.6
95.08611	6.5
97.06538	11.4
107.08590	18.7
109.10155	14.4
111.08080	4.8
122.21861	1.1
127.11194	52.8
135.11696	30.2
136.12013	1.4
153.12740	16.0
201.14900	2.4
224.71356	1.0
258.10120	1.0
312.32559	1.8
353.26865	83.3
354.27271	6.5
367.26541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.05516	4.4
55.01873	5.6
55.05522	39.8
57.03429	15.1
57.07063	13.0
61.37185	4.2
65.03942	4.6
67.05507	97.2
69.07074	44.2
69.08850	30.8
69.51986	4.1
70.06594	6.1
71.04996	11.7
71.08633	66.1
78.50481	4.2
79.05496	46.5
81.07059	100.0
83.08620	26.3
84.08138	7.7
85.06535	8.0
85.10193	4.4
88.07643	9.4
91.05472	27.8
93.07046	61.6
95.04939	10.3
95.08607	77.9
96.08932	4.2
97.06520	9.0
97.10175	15.9
99.08098	49.4
103.74833	5.0
105.07029	30.6
107.08593	44.0
109.10173	43.8
111.08062	5.9
117.07028	11.9
119.08604	18.6
121.10133	30.6
123.08062	9.0
123.11691	14.9
125.09604	7.3
131.08586	16.1
133.10130	13.3
135.04425	36.9
135.07971	4.7
135.11731	32.6
136.11223	14.4
137.09625	3.9
137.13260	11.1
143.08545	7.0
145.10106	12.9
147.11690	28.6
149.02365	4.5
149.13257	19.2
151.14810	5.9
153.12776	7.5
157.10211	8.5
159.11696	8.9
161.13263	13.7
163.11197	11.6
163.14833	20.1
165.12772	11.3
173.13287	13.9
177.16422	5.4
181.15999	4.6
187.14822	9.3
205.15884	6.3
209.13301	5.1
225.65581	4.1
227.12810	5.5
243.21060	21.6
261.22156	57.6
262.22516	6.3
279.23227	34.3
318.16995	13.6
336.32700	9.7
353.18390	21.7
353.27032	82.3
353.69086	7.6
354.19144	30.2
354.26886	7.9
354.33624	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13157	1.3
53.03955	1.6
55.01858	3.8
55.05257	1.8
55.05514	26.3
57.03438	19.7
57.07079	8.7
59.05031	1.6
65.03954	1.7
67.05505	93.2
68.05821	2.2
69.03412	2.0
69.06709	2.1
69.07066	28.4
70.06574	2.9
71.04991	4.8
71.08633	70.0
72.08965	1.8
75.04470	1.8
75.08275	1.4
76.20827	1.5
79.05492	50.3
79.05949	2.7
81.07056	100.0
82.07401	3.0
83.04974	3.6
83.08613	17.1
84.08134	2.5
85.06543	5.8
91.05480	27.9
93.07045	52.5
94.07323	1.6
94.93440	1.3
95.04974	6.7
95.08604	74.0
96.08929	2.3
97.06524	7.4
97.10173	10.9
99.08092	57.5
100.08438	1.9
105.04530	2.1
105.07030	27.2
107.08591	36.7
109.06542	2.3
109.10159	36.3
111.08080	5.0
111.11758	1.9
113.09653	2.7
115.05491	2.2
117.07009	10.1
119.08595	18.7
121.10138	29.7
123.08105	3.7
123.11713	14.9
125.09641	6.6
127.11182	2.9
131.08566	18.3
133.10120	10.5
135.04413	20.7
135.08072	1.6
135.11690	25.7
136.11192	4.9
137.13237	9.0
143.04929	1.4
143.08545	1.9
145.10136	12.4
147.11682	28.6
149.02344	2.4
149.13280	14.7
151.11183	1.6
151.14784	4.1
153.12746	6.4
159.11639	8.3
161.13255	9.4
161.77979	1.4
163.11214	5.8
163.14818	17.8
164.14246	2.1
165.12740	11.0
167.14331	2.8
173.13223	12.9
175.14841	3.6
177.12682	1.9
177.16412	5.8
181.15863	8.6
187.14856	6.3
189.11221	1.8
191.14185	1.5
201.16451	2.6
205.15930	1.8
209.15411	2.0
209.57185	1.3
233.22713	7.1
243.21092	20.5
244.21483	2.0
251.23694	1.6
261.22137	64.4
262.22403	4.8
263.23679	2.3
279.23190	31.3
280.23434	2.2
318.17075	5.7
323.09210	2.4
335.25864	5.7
336.32431	1.5
353.10266	4.5
353.19135	7.9
353.26874	80.2
353.69379	2.6
354.19330	10.1
354.27063	9.6
354.33643	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59022	2.3
55.05511	12.6
57.03439	4.5
57.07071	5.1
59.05006	3.7
60.58830	2.4
67.05157	5.8
67.05502	71.6
69.03418	3.6
69.07063	12.3
70.06607	6.3
70.96523	3.5
71.04984	5.2
71.08628	5.1
72.30773	3.3
75.04490	2.9
79.05489	37.4
81.07056	80.4
82.07388	3.7
83.08618	8.5
84.08149	20.5
91.05471	25.5
93.07047	54.6
95.04945	4.6
95.08601	52.4
97.06538	5.3
97.08894	3.1
98.23321	3.0
99.08097	7.4
105.07030	12.0
107.08578	27.7
109.10153	27.5
111.08098	3.7
117.07056	8.7
119.08581	14.6
121.06504	3.0
121.10147	24.7
122.09695	4.7
123.11728	14.0
124.08317	2.4
124.11175	4.4
131.08531	16.0
133.10144	8.3
135.04349	2.5
135.11678	24.2
136.11177	7.5
137.05994	3.2
137.12079	2.9
137.13240	8.8
138.12776	3.0
145.09108	2.4
145.10080	14.3
147.11688	9.0
149.13264	14.3
151.11038	2.4
151.14836	2.9
159.11713	11.4
161.13225	9.1
162.12680	2.9
163.14828	11.3
164.77954	3.0
173.13278	12.5
177.12906	3.2
177.16379	4.7
183.22595	3.1
184.60518	3.2
187.14807	7.6
201.16365	4.2
210.14903	12.7
243.21127	22.5
261.22128	82.1
262.22375	6.3
279.23178	6.7
319.07083	3.0
335.25662	6.3
336.18015	15.1
353.13855	5.7
353.17853	34.5
353.22119	6.4
353.26727	30.7
354.19073	100.0
354.22714	5.5
373.62842	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74352	1.3
53.03933	2.4
55.05511	13.6
57.03422	4.9
57.07063	5.0
65.03925	1.9
67.05505	79.0
68.05827	2.6
69.07070	14.5
69.91457	4.6
71.05004	1.4
71.08628	7.1
72.08134	2.7
77.03902	1.8
79.05489	40.3
79.93977	1.4
81.07055	83.7
82.07378	1.9
83.04970	1.4
83.08604	7.3
85.06536	2.6
91.05471	17.0
92.15249	1.2
93.07043	57.0
93.35536	1.2
95.04977	3.6
95.08606	64.8
97.06520	3.2
97.10161	4.0
98.23438	1.8
99.08084	5.5
103.48391	1.2
105.04524	1.9
105.07023	15.5
107.08594	35.8
109.06514	2.3
109.10156	35.2
111.08089	2.6
112.99367	1.3
113.09612	1.5
117.07017	7.7
119.08592	16.3
121.10146	28.8
123.11713	20.9
131.08569	20.6
133.10147	11.8
135.11694	25.3
137.09630	1.6
137.13231	8.1
139.11188	1.8
143.79985	1.4
145.10110	10.5
147.11711	9.5
149.12083	2.4
149.13235	20.6
151.14783	3.0
153.12727	2.1
159.11678	12.1
161.13229	9.1
163.11066	1.4
163.14827	13.5
165.12732	4.0
173.13260	12.3
174.13788	1.6
175.14883	1.9
177.16376	3.9
179.14340	1.6
187.14839	9.2
189.16425	1.5
198.25183	1.4
201.16382	2.0
205.15858	2.0
215.17867	1.6
233.22723	3.7
243.21095	24.6
244.21455	2.4
253.38489	1.4
256.81866	1.4
261.22131	100.0
262.22559	6.9
263.23401	1.6
265.21481	1.4
279.23132	2.3
291.23196	4.2
309.24216	2.0
335.25809	7.9
336.29010	13.8
353.26862	50.8
354.27060	4.3
354.33691	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44646	1.2
53.81260	1.2
55.05512	15.5
57.03437	6.4
57.07072	5.1
65.03947	2.2
67.05505	90.1
69.07059	13.1
70.72662	2.0
71.05002	2.5
71.08622	1.5
77.03918	1.3
79.05493	41.9
80.05844	1.6
81.07054	98.2
82.07410	2.2
83.04998	1.8
83.08612	7.4
85.06541	2.9
91.05475	21.5
92.11799	1.2
93.07044	55.9
94.07402	2.3
95.04971	4.1
95.08605	71.8
96.08974	1.6
96.78607	1.1
97.06525	3.7
97.10178	3.9
98.49331	1.1
99.08127	2.8
105.07035	15.5
107.08595	34.1
108.08907	1.3
109.10157	37.8
110.10458	1.5
111.08084	2.1
117.07031	7.1
119.08582	13.7
121.10142	32.7
123.00881	1.3
123.11708	22.2
131.08568	20.6
133.10135	14.3
135.11684	29.4
135.12643	2.1
137.09644	2.4
137.13248	9.8
145.10112	14.0
147.11685	9.0
147.12732	1.5
149.13254	20.2
151.11182	1.9
151.14825	2.6
159.11714	14.2
161.13243	10.3
163.14803	11.3
173.13232	14.6
175.14828	4.1
177.16438	5.3
179.14330	1.8
187.14809	9.8
191.14409	1.7
201.16357	3.1
205.15945	1.9
215.17653	1.6
233.22641	5.1
243.21068	24.0
244.21323	1.6
261.22134	100.0
262.22443	7.0
279.23209	7.1
317.24829	1.3
335.25708	14.4
353.26834	35.7
354.26825	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.52900	1.4
53.03924	1.6
55.05515	14.2
57.03436	5.5
57.07071	3.8
59.88777	1.6
65.03946	2.7
67.05509	93.3
68.05834	2.9
68.60236	1.4
69.07072	12.4
69.84653	3.7
69.84985	1.5
71.05028	1.9
75.04472	2.4
77.03931	2.6
79.05495	39.1
81.07061	100.0
82.07339	1.6
83.08619	6.3
91.05492	16.9
93.07049	50.9
95.04971	2.9
95.08608	70.6
96.08957	2.5
97.06533	2.5
97.10157	2.5
98.22771	3.0
105.07022	16.6
107.07919	2.9
107.08601	34.7
108.08969	1.7
109.06507	1.6
109.10163	32.3
111.08058	1.5
111.11803	1.6
116.73651	1.4
117.07009	6.6
119.08592	12.2
121.10154	29.6
123.11716	21.3
126.42162	1.5
131.08577	19.3
133.10129	12.8
135.11705	21.4
137.13287	8.1
145.10130	14.1
147.11670	11.4
149.09587	1.7
149.13268	20.1
159.11665	11.4
161.13261	9.4
163.14836	10.0
165.12813	1.7
168.90228	1.6
173.13280	13.6
175.14915	2.5
177.12766	1.6
177.16331	2.6
179.14336	2.3
187.14821	9.1
201.16458	2.2
205.15819	1.7
233.22629	3.8
243.21080	16.7
261.22150	88.2
262.22510	8.4
279.23221	5.9
335.25888	11.5
353.26895	32.4
354.19070	4.6
354.27109	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.71025	1.1
53.03950	2.2
53.69804	1.1
55.05513	12.2
57.03441	4.6
57.07086	6.5
65.03949	2.5
67.05505	90.7
68.05816	1.1
69.07068	11.1
69.92635	2.7
69.92979	2.4
71.04993	3.0
71.08637	4.5
77.03931	1.9
79.05495	47.2
81.07059	100.0
82.07381	1.9
83.04991	1.4
83.08623	7.4
85.06550	4.4
91.05483	20.3
93.07047	61.0
95.04977	4.3
95.08607	75.1
96.08955	2.7
97.06541	4.9
97.10178	5.1
99.08051	6.0
105.04514	1.5
105.07035	18.7
107.08596	43.6
109.06526	2.9
109.10159	31.8
109.10889	2.0
111.08088	2.8
113.09634	3.2
117.07025	8.5
119.08591	11.4
121.10146	34.4
122.10516	1.5
123.08065	1.7
123.11711	16.0
131.08569	24.4
133.10109	12.3
135.11687	25.3
136.12033	1.6
137.09567	1.9
137.13274	9.4
145.10133	16.3
147.11687	10.7
149.09627	1.2
149.13258	23.0
149.65047	1.0
150.13560	1.2
151.14824	5.0
153.12737	2.5
159.11700	13.0
160.12057	1.2
161.13280	12.2
162.78453	1.4
163.11166	2.5
163.14819	17.7
164.15271	1.4
165.12700	1.6
165.16551	1.3
173.13268	16.8
175.14830	3.7
177.12842	2.6
177.16350	6.4
179.41109	1.3
187.14821	11.2
191.14319	2.1
201.16397	3.2
205.15895	1.9
233.22667	6.9
243.21092	39.1
243.23474	2.2
244.21460	3.7
261.22137	97.4
262.22482	5.9
279.22995	6.1
317.24814	1.2
335.25793	13.4
336.26450	1.3
353.26962	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01875	1.5
55.05509	13.7
57.03429	3.6
57.07075	7.6
65.03943	3.5
67.05504	88.6
68.05814	1.4
69.07069	14.3
69.48467	5.4
71.04990	2.5
71.08623	4.7
74.37157	1.3
75.04462	1.9
77.03948	1.2
79.05493	61.6
80.05833	1.5
81.07059	94.8
82.07384	2.0
83.08624	8.5
85.06525	3.8
85.10197	1.4
86.99264	1.2
89.30099	1.2
91.05481	28.9
93.07044	80.3
94.07346	1.4
95.04972	4.9
95.08607	83.8
95.88718	1.2
96.08945	2.3
97.06532	4.4
97.10172	4.5
98.22649	2.1
99.08085	6.6
105.04516	2.9
105.07042	20.0
107.08592	46.5
108.08982	1.7
109.06532	1.7
109.10147	28.6
111.08091	3.3
113.09647	3.0
117.07048	9.4
119.08595	15.1
121.10146	40.3
123.11709	12.7
125.09623	1.9
131.08559	23.9
133.10133	10.3
135.11693	26.1
136.12004	1.7
137.13293	7.2
139.98781	1.3
145.10124	18.6
147.11682	12.6
149.09644	1.8
149.13255	20.9
151.14807	4.3
153.12726	2.7
156.99670	1.2
159.11707	14.9
160.12044	1.2
161.13257	11.4
163.11119	2.0
163.14824	18.2
164.80724	1.4
168.64101	1.3
173.13264	14.1
175.14833	4.4
177.12746	1.7
177.16411	8.0
179.14316	2.3
187.14816	10.5
191.14299	1.4
201.16367	3.7
205.15811	2.0
215.18005	2.1
219.17545	1.7
233.22598	8.1
243.21082	38.4
244.21411	2.3
261.22137	100.0
262.22482	7.4
263.23752	1.4
279.23199	3.1
317.24814	1.3
335.25806	8.8
353.26895	9.5
354.19019	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01872	20.2
55.05510	54.6
57.03430	13.3
57.07069	16.0
59.05017	3.6
67.05505	71.6
69.07069	74.3
70.06575	3.8
71.05000	5.4
71.08636	17.9
76.24353	3.2
77.20825	3.3
79.05488	48.5
81.07058	100.0
83.04975	8.9
83.08622	33.3
85.06543	5.4
85.10170	8.2
91.05473	15.1
93.07045	53.0
95.08604	65.4
97.06546	9.8
97.10168	25.9
99.08090	12.2
105.07044	13.1
106.08700	3.8
106.19341	3.2
107.08599	45.4
109.06561	4.0
109.10151	35.8
111.08055	8.9
117.07047	5.0
119.08583	11.2
121.10147	24.7
123.11679	11.2
125.09620	14.8
126.30965	3.4
128.79837	3.5
131.08575	7.4
133.10155	8.1
135.11694	30.2
137.09579	4.4
137.13240	10.5
145.10144	9.3
147.11690	8.3
149.13254	13.8
151.14809	7.8
153.09082	3.6
153.12752	24.4
155.14272	3.8
159.11647	5.1
161.13281	3.6
163.14784	7.4
173.11841	4.1
173.13239	7.4
175.14827	4.5
177.12695	4.9
189.11194	12.5
193.04967	5.6
226.83330	3.3
233.22653	5.6
243.21111	12.7
250.09319	4.0
261.22174	32.5
279.23169	33.5
291.23148	15.5
335.25803	21.2
336.32458	6.0
353.17819	6.1
353.26740	94.2
353.35638	3.5
354.27124	6.2
354.33807	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
52.54986	0.1
55.01866	0.1
55.42542	0.1
57.03441	0.4
61.02919	0.4
66.90591	0.1
69.03431	1.0
70.68716	0.3
73.02917	0.2
73.88972	0.1
77.45834	0.1
81.03419	0.5
84.08150	0.1
85.02904	3.2
91.05500	0.3
97.02905	0.8
105.03383	0.4
109.02889	0.2
117.05653	0.1
118.06535	1.9
127.03898	0.5
135.04395	0.3
145.04967	0.5
146.06003	100.0
147.06352	4.3
156.05478	0.2
160.07523	0.2
163.03897	1.6
164.07094	0.1
170.05928	0.2
188.07092	0.3
192.06548	47.4
193.06897	2.4
194.07359	0.2
209.19241	0.1
234.07571	0.2
350.37637	0.1
354.18887	0.3
354.22760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.09022	0.1
53.03947	0.2
53.19209	0.1
54.25039	0.1
54.41134	0.1
55.01892	0.2
57.03443	0.3
61.02927	0.5
62.20671	0.1
65.98795	0.1
69.03435	1.2
69.54710	0.2
69.55077	0.3
81.03419	0.5
85.02898	3.6
87.04498	0.2
91.05490	0.3
97.02886	1.2
98.22594	0.1
99.04433	0.1
109.02864	0.3
117.05735	0.2
118.06538	2.3
127.03905	0.4
128.04956	0.2
130.06506	0.2
133.05214	0.2
135.04430	0.2
137.78525	0.1
141.15283	0.1
145.04956	0.4
146.05997	100.0
147.06349	3.7
156.05566	0.2
156.53564	0.1
160.07581	0.3
163.03920	0.6
170.06006	0.2
184.07701	0.2
184.77336	0.1
188.07066	0.4
192.06538	44.7
193.06929	1.6
215.57613	0.1
234.07587	0.2
238.09674	0.1
271.69537	0.1
318.09811	0.2
349.22345	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	354.1185
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.01851	0.3
57.03426	0.4
61.02917	0.6
65.74839	0.1
67.05487	0.2
67.31783	0.1
69.03425	1.8
69.72018	0.4
70.06583	0.5
71.04981	0.3
73.02920	0.3
77.22904	0.1
79.05477	0.4
81.03420	0.7
81.07029	0.1
82.26003	0.1
83.05014	0.2
84.08140	0.2
85.02900	3.7
87.04458	0.2
89.03911	0.7
91.05487	0.3
93.07016	0.1
94.06587	0.2
95.04970	0.4
95.08582	0.3
96.08109	0.3
97.02880	1.0
97.06538	0.2
97.08899	0.2
107.04954	0.3
107.08605	0.2
109.02850	0.3
110.09673	0.5
111.08076	0.7
117.03369	1.4
118.06534	1.8
120.08075	0.2
122.09656	0.4
123.04401	0.3
123.08113	0.1
124.07587	0.3
124.11243	0.3
125.09628	0.8
127.03928	0.5
134.09624	0.8
135.04416	2.2
135.08095	0.4
136.11223	1.2
138.09158	0.2
145.02840	1.9
145.04955	0.4
146.06000	100.0
147.04440	0.3
147.06340	4.2
148.11176	0.2
150.09123	0.4
151.07581	0.2
152.10683	0.2
153.09126	0.4
154.12335	0.3
160.07516	0.3
162.12730	0.2
163.03899	18.8
164.10641	0.2
166.08569	0.2
167.32362	0.1
168.10075	0.2
174.12733	0.2
178.12263	0.4
184.09700	0.2
188.07034	0.3
190.12370	0.2
192.06544	52.7
193.06900	2.1
196.13300	0.2
202.15904	0.2
204.13831	0.1
208.13324	1.0
214.12065	0.2
222.14893	0.2
224.12901	0.1
232.13345	0.9
234.07608	0.2
236.16391	0.2
246.14970	0.9
248.16479	0.5
250.14328	1.3
252.15913	1.2
258.07666	0.2
272.16446	0.2
289.07193	0.2
290.17508	2.8
308.18478	1.5
318.17017	0.3
326.19586	0.6
336.18018	3.0
337.18372	0.2
354.19092	18.1
355.19501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1337
Annotation	CHELIDONINE (+)
Peak:m/z	Relative Intensity
50.80744	0.4
60.15630	0.4
69.03444	0.5
70.06585	0.8
71.44920	0.6
75.47274	0.4
76.93762	0.5
79.05466	0.9
81.07011	0.5
84.08132	1.0
85.02885	1.5
87.00830	0.6
87.08057	0.5
91.05457	1.0
97.02866	0.8
105.01849	1.3
117.06986	0.4
122.09640	0.6
123.04398	0.4
127.03905	1.1
131.04892	2.0
134.09546	0.5
135.04410	13.4
136.11183	1.1
138.12743	0.6
143.04897	1.6
143.19289	0.5
145.04924	0.5
149.05963	2.9
159.04353	1.6
161.05980	4.4
163.02631	0.8
163.03899	9.4
165.05452	1.1
173.05983	2.2
175.03845	0.7
175.06226	0.6
176.07043	1.8
179.08533	2.1
188.07047	9.8
189.06854	12.3
190.07503	1.0
191.08539	0.8
195.08119	0.5
201.07050	0.5
203.01738	0.5
205.06482	0.7
206.07907	0.6
207.08075	2.5
217.04791	0.6
217.06482	15.2
218.06839	0.9
219.08072	1.5
235.07520	4.5
237.09081	3.8
245.05850	2.9
246.06657	0.8
247.07539	52.9
248.07875	4.4
249.08865	0.6
263.07040	1.0
265.08591	5.1
275.07019	100.0
276.07352	8.1
277.08652	0.8
293.08148	2.8
294.20596	1.7
295.09686	6.3
305.08057	20.8
306.08401	1.9
318.17020	1.2
319.17239	0.7
320.18530	1.6
323.09125	19.2
324.09421	1.2
326.24551	0.8
336.12283	5.3
353.69177	1.7
354.13361	96.6
354.22018	2.7
354.70276	0.9
355.13705	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01871	2.0
57.03434	4.5
61.02922	4.5
69.03060	2.1
69.03430	23.5
70.06578	1.5
71.04988	3.4
72.08400	1.1
73.02921	6.2
76.28598	1.0
81.03426	12.0
81.07038	1.3
83.01324	1.4
84.08135	4.1
85.02908	69.5
87.00827	2.9
87.04473	22.0
91.03944	4.1
91.05524	1.4
96.08139	1.5
97.02898	22.3
99.04458	5.0
101.02412	1.5
103.03972	1.3
105.07036	1.1
105.68055	1.0
109.02893	8.1
110.06045	1.3
115.03934	100.0
116.04262	2.8
120.08140	1.1
121.27311	1.0
127.03918	38.4
131.99867	1.0
133.04970	34.4
136.11240	3.6
137.11574	1.0
138.12787	2.6
145.04964	47.9
157.08609	1.1
163.06010	6.9
164.14354	1.8
175.87436	1.0
200.11205	1.1
210.14960	1.8
231.05017	4.0
244.98163	1.2
248.16586	2.0
249.05896	1.5
259.08148	11.8
275.12921	1.2
277.09189	20.1
294.20847	1.9
297.31393	1.3
318.17075	3.0
319.17328	3.0
320.18503	5.7
331.95798	1.0
336.18054	2.1
336.21631	1.4
353.69336	3.3
354.18878	12.2
354.22729	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
53.86400	1.1
55.01869	6.6
55.05501	1.5
57.03435	5.7
58.60621	1.1
61.02924	5.4
65.79142	1.1
68.99803	1.3
69.03428	35.5
69.07071	3.4
69.60051	2.1
69.60432	1.8
70.03768	1.4
70.06555	1.2
71.01326	1.2
71.04983	5.0
73.02924	7.0
73.90643	1.1
81.03418	21.1
83.04971	1.3
84.08131	2.3
85.02906	100.0
86.03309	1.6
87.00831	50.6
94.05097	1.1
97.02891	34.6
98.23472	2.3
99.04455	11.0
105.01869	86.3
108.04475	1.8
109.02886	26.3
111.11652	2.5
115.03920	1.3
117.01847	2.3
127.03915	74.7
129.01831	3.5
136.11237	2.9
139.11168	1.4
145.04956	33.3
147.02818	1.5
155.08197	1.2
157.12202	4.1
159.02904	11.6
164.14311	1.5
189.03928	3.8
213.03958	3.3
222.14818	1.9
231.04993	24.6
249.06160	6.0
314.95135	1.1
318.16925	2.8
319.17325	1.7
320.18539	9.1
353.69110	2.7
354.19443	10.3
354.69928	3.0
369.53726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49792	0.4
55.01863	2.0
55.05501	0.7
57.03435	3.4
67.05508	1.6
69.03442	1.1
70.06606	0.5
71.04994	4.5
73.02922	3.9
83.04977	0.5
84.08132	0.7
85.02905	2.2
85.06548	4.5
89.03913	1.8
93.07051	0.6
95.04964	5.0
97.02895	0.5
97.06536	0.7
101.02381	16.5
107.04974	0.8
111.08076	3.9
113.06009	100.0
114.06354	1.9
115.03915	0.4
117.03400	2.4
131.07045	41.1
135.04431	4.6
139.07535	4.0
145.02846	4.0
145.04929	0.4
157.08595	8.7
163.03911	28.9
166.08636	0.4
175.09669	7.6
184.09714	1.0
233.15651	0.5
326.19778	0.5
328.16541	0.5
336.18033	4.8
337.18152	0.6
354.19119	11.7
354.22821	0.9
355.19574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01877	1.6
57.03442	4.4
57.03661	0.8
60.16760	0.8
61.02934	4.9
69.03429	14.7
69.17596	4.0
71.04981	1.6
73.02901	4.2
81.03418	10.8
85.02905	55.1
87.04469	25.8
90.29512	0.8
91.03933	3.2
94.00816	0.9
97.02888	14.4
98.23473	1.3
99.04427	4.5
101.02390	0.9
103.03938	1.0
109.02883	7.5
115.03931	100.0
116.04229	2.1
127.03915	31.0
129.05649	0.8
133.04968	29.0
145.04962	29.7
163.06036	7.9
165.44167	0.9
179.61792	0.8
259.08093	8.8
277.09177	22.5
277.12204	1.1
285.02963	0.9
354.22723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1907
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
55.01865	1.3
55.05511	1.0
57.03428	0.4
67.05505	1.1
68.05026	0.6
69.03429	3.2
69.52013	0.9
69.52421	0.6
70.06596	4.1
70.99396	0.3
71.04993	2.4
79.05482	0.9
80.05025	0.9
81.03408	0.9
81.05776	0.4
81.07052	0.9
82.06570	1.1
83.01326	0.7
83.04979	0.6
83.07388	0.7
83.08602	0.3
84.08147	16.7
85.02902	3.6
87.00835	1.9
87.04468	0.5
90.70866	0.4
91.05486	0.9
93.07044	0.7
94.06595	0.6
95.04949	0.5
95.08598	1.1
96.08131	1.5
96.37870	0.3
97.02889	1.5
97.06553	0.6
97.08920	1.4
98.22618	0.3
99.04457	1.1
100.07619	0.8
100.11267	0.3
105.01875	2.6
105.07040	0.9
106.06539	0.8
107.08582	1.1
108.08118	2.1
109.02859	1.0
109.06554	0.6
109.08894	0.8
109.10185	0.5
110.09673	1.4
111.08118	0.4
115.03936	0.7
116.97260	0.4
117.06951	0.3
118.76125	0.3
119.08577	0.6
120.08109	1.1
122.09666	5.0
123.08053	0.6
123.10461	0.6
124.07631	0.3
124.11227	2.1
125.06020	1.2
125.09632	0.9
126.09141	0.9
126.12820	0.5
127.03932	3.5
132.08101	0.3
134.09636	1.9
135.08113	0.5
135.10432	0.5
136.11218	5.3
137.06012	0.5
137.12006	2.5
138.09131	0.3
138.12767	1.8
140.10757	0.5
143.08463	0.5
145.04971	1.4
145.10075	0.5
146.09642	1.0
148.11229	1.5
149.05989	0.4
150.09137	1.1
150.12798	1.4
152.10692	0.5
155.07037	1.3
159.02913	0.3
160.11229	0.6
161.06067	0.3
162.12793	0.7
164.10721	0.8
164.14368	1.7
165.15068	0.6
166.08734	0.6
166.15883	0.5
166.26260	0.4
168.10251	0.4
174.12801	0.6
176.10722	0.5
176.14378	0.7
178.12231	0.4
180.10236	0.4
182.11726	0.6
188.10629	0.4
192.13907	0.8
194.15521	0.7
196.13333	0.7
202.12366	0.5
206.11823	0.6
210.14903	6.8
211.15204	0.4
216.13879	0.8
220.13335	1.5
222.14925	0.6
231.04912	0.9
232.16901	0.7
234.14899	0.8
238.14413	1.5
244.13281	0.4
248.16470	8.8
249.06033	0.5
249.16840	0.6
256.15506	0.7
260.16489	0.3
262.14371	3.6
272.16541	0.5
280.15387	1.0
280.19128	0.4
290.17523	1.5
292.18979	1.3
293.64084	0.3
294.17001	2.4
294.20651	1.0
295.88721	0.3
308.18573	3.7
312.18027	2.0
318.16968	0.7
322.20084	2.2
336.17999	17.0
336.21768	7.0
337.18387	1.4
337.22003	0.7
354.19073	100.0
354.22836	17.1
355.19449	8.0
355.23102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1913
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
54.32048	0.2
55.05508	0.5
56.05044	0.3
56.96555	0.2
60.35464	0.2
67.05497	1.1
69.03444	0.6
69.05794	0.3
70.06595	4.6
70.68665	0.5
71.04996	3.6
79.05487	0.4
80.05064	0.3
81.07083	0.3
82.06578	0.9
83.01347	1.3
83.07350	1.5
84.08145	22.1
85.08493	0.3
93.07057	0.7
94.06560	0.4
95.04958	0.3
95.08585	1.4
96.08145	1.5
97.08917	2.1
98.09711	0.3
100.07639	0.8
101.06046	0.3
104.20571	0.2
105.07057	0.3
108.08126	1.7
109.06477	0.3
109.08901	0.4
110.09692	1.3
111.08084	1.0
113.06026	0.5
114.38300	0.2
115.03940	0.7
119.08561	0.3
120.08109	0.5
122.09657	5.8
123.08128	0.4
123.10436	0.9
124.11233	2.0
125.06286	0.2
126.09140	0.3
126.51286	0.2
127.03960	0.4
134.09628	0.7
135.04585	0.2
135.10469	0.5
136.11215	5.4
137.12009	3.8
138.09169	0.3
138.12807	1.9
139.07526	0.4
140.10721	0.5
143.03366	0.4
146.83340	0.2
148.11266	0.5
150.09178	0.4
150.12759	1.6
151.11108	0.3
152.76192	0.2
154.12233	0.3
155.07056	1.6
157.08670	0.4
162.12796	0.8
163.03918	1.3
163.13609	0.3
164.14368	2.3
165.15163	1.2
166.15877	0.4
167.19386	0.2
180.13850	0.6
182.11790	0.5
189.09174	0.3
192.13870	0.5
194.15451	0.7
208.13503	0.3
210.12904	0.5
210.14890	9.7
211.15216	0.7
232.17006	0.4
247.09775	0.4
256.15405	0.9
258.14978	0.3
276.15875	0.4
290.17551	0.3
292.19037	1.4
304.15414	0.9
308.18582	1.1
310.20029	0.5
318.16974	0.5
336.18045	20.4
337.18472	1.8
354.19092	100.0
354.22610	5.5
355.19437	7.6
355.23087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1913
Annotation	Rosmarinine
Peak:m/z	Relative Intensity
55.01880	2.0
55.05516	1.3
63.78403	1.2
65.00759	1.2
67.05505	4.1
69.03431	62.0
69.33476	5.3
70.03755	2.0
70.06584	4.2
71.04984	2.4
79.05492	9.1
81.07056	5.4
83.01334	2.3
84.08142	14.2
85.85448	1.3
91.05475	5.5
93.07037	3.2
94.06525	1.9
95.08613	2.5
96.08125	1.6
97.06520	1.9
98.22714	2.9
105.07024	2.7
107.08591	10.6
109.06477	1.6
110.06053	6.8
110.09686	3.6
111.08059	1.6
115.03912	1.2
117.07018	5.8
122.09676	9.7
122.38494	1.3
123.10452	2.1
123.50769	1.3
124.07592	2.9
125.05978	3.9
125.09628	63.8
126.09964	2.3
134.09665	1.9
135.08049	53.4
136.07445	1.5
136.08429	2.9
136.11186	5.9
137.11958	1.7
138.09138	1.5
138.12767	1.6
145.02832	1.6
147.04475	2.4
148.07628	1.8
148.11232	2.4
150.09135	8.9
150.12788	3.1
153.09099	10.4
156.10167	1.6
161.90102	1.2
162.12752	1.7
163.03897	2.3
166.08655	9.1
168.10162	2.8
176.10710	1.8
178.12247	2.5
182.11768	1.2
184.09712	16.8
185.25583	1.5
194.11765	3.1
194.15388	1.6
196.09692	13.9
210.11208	3.5
210.14908	6.8
222.11243	40.8
222.14867	3.7
223.11612	3.2
234.14870	4.9
238.14359	3.2
248.16469	13.4
262.14355	3.5
266.13916	4.1
290.17511	3.4
308.18552	59.4
309.18817	4.5
318.17017	29.2
318.20798	1.7
319.17380	2.7
322.20145	3.3
336.18063	100.0
336.21643	9.3
337.18314	5.5
337.21948	1.6
354.14609	3.1
354.19046	61.0
354.22812	24.3
355.12546	2.4
355.19482	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	354.2274
Annotation	Cinnabaramide E
Peak:m/z	Relative Intensity
53.05023	0.2
55.01875	2.0
55.05499	0.6
60.43031	0.2
67.05474	0.4
69.03425	1.3
70.06583	0.4
70.07764	0.5
71.04999	0.2
79.05469	0.6
80.04986	0.4
81.07037	0.5
82.06544	0.5
83.04951	0.2
84.08110	0.5
91.05467	0.5
93.07013	0.8
94.06541	0.8
95.04926	0.3
95.08593	0.2
96.08102	0.8
97.06513	0.3
98.23505	0.2
105.03392	2.2
105.07011	0.4
106.99711	0.2
107.08573	0.5
108.08115	0.8
109.10123	0.3
110.09686	3.4
111.08060	0.5
111.10435	0.3
116.08152	0.2
119.08561	0.6
120.08102	0.4
122.09647	0.7
124.11250	0.9
125.05984	3.2
125.09657	1.2
132.08046	0.2
134.09630	0.8
135.10426	0.2
136.10191	0.4
136.11208	6.9
137.05914	0.2
137.11977	0.3
138.05559	0.2
138.60211	0.2
145.10069	0.2
146.09654	0.7
147.10313	0.2
148.11212	0.9
149.12033	0.4
150.09119	0.5
150.12723	0.7
152.10666	0.5
153.11031	0.2
160.11208	1.1
161.11963	0.6
162.09026	0.2
162.12784	2.5
163.03899	0.5
163.13419	0.4
164.10710	0.6
164.14371	0.3
174.09108	0.3
174.12799	2.3
175.11168	0.2
175.13525	0.7
176.10690	0.4
176.14320	0.6
178.12256	0.6
179.07018	0.4
181.32832	0.2
182.11755	0.7
188.10713	0.3
188.14388	0.2
190.12111	0.3
192.13812	1.0
201.05504	0.2
202.15878	0.6
204.13788	0.3
210.14880	2.6
211.15076	0.2
213.31325	0.2
216.13824	1.3
220.13310	0.3
220.16949	1.2
222.14853	2.9
223.92970	0.2
230.15381	1.4
234.14795	0.5
248.16447	48.8
249.16788	3.1
258.18503	0.5
262.18097	0.7
276.19626	0.6
280.19070	2.8
286.17850	0.4
304.19098	0.7
322.20129	12.2
323.20477	1.0
336.21674	30.7
337.09494	0.2
337.22025	3.1
354.22736	100.0
355.23071	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	354.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
55.05484	0.4
67.17767	0.3
69.03412	1.3
69.98143	0.4
69.98467	0.7
70.06578	0.6
71.04950	0.3
77.81056	0.3
79.05450	0.3
80.05012	0.5
81.07015	0.5
84.08138	2.6
91.05449	0.7
93.07021	0.9
94.06557	0.6
95.08563	0.5
96.08118	0.9
97.06477	0.5
98.01587	0.3
98.22688	0.4
105.03378	1.1
105.06998	0.5
108.08087	0.8
110.09680	2.7
120.08115	0.6
122.09653	1.1
124.11207	1.1
125.05978	3.1
125.09612	1.4
132.00908	0.3
134.09654	0.8
136.11212	8.3
146.09674	0.8
148.11253	0.8
149.11948	0.5
150.09073	0.6
150.12762	0.8
152.10692	0.5
160.11195	1.4
162.12785	3.9
163.13411	0.4
164.10658	0.8
174.12750	1.6
175.13545	0.7
176.10670	0.6
176.14186	0.4
178.12257	0.7
180.13876	0.4
182.11661	0.8
188.14362	0.3
192.13806	0.7
202.15950	0.8
210.14850	3.4
216.13799	1.4
220.13411	0.6
220.16957	1.4
222.14847	2.8
230.15363	1.3
248.16451	53.3
249.16862	3.3
259.34714	0.3
262.18124	0.8
276.19623	0.4
280.19104	3.0
286.17880	0.6
304.19131	1.2
322.20096	11.7
323.20660	0.7
336.18359	1.5
336.21664	38.8
337.21875	3.1
354.19067	7.4
354.22751	100.0
355.19171	0.8
355.23111	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	354.2276
Annotation	Cinnabaramide E
Peak:m/z	Relative Intensity
54.64765	0.5
55.01871	2.0
55.05533	0.7
58.67125	0.6
61.25282	0.5
62.35501	0.5
67.05515	1.0
69.03426	2.3
70.06606	2.7
71.04996	1.4
79.05496	0.8
81.07040	0.6
82.06590	1.5
83.01331	0.6
83.04983	0.8
84.08147	9.5
85.02915	0.7
91.05486	1.0
93.07039	1.6
94.06612	0.8
95.08635	0.8
96.08130	1.7
97.08935	0.5
98.23432	1.3
104.16440	0.5
105.07041	1.1
107.08579	0.8
108.08129	1.4
109.10126	0.7
110.09694	4.1
115.03913	1.0
122.09695	3.1
123.10450	0.8
124.11219	2.5
125.06002	3.5
125.09608	1.3
134.09637	1.1
135.10475	0.7
136.11208	11.5
137.12009	1.5
138.12770	0.9
147.96968	0.6
148.11218	1.6
149.11967	0.9
150.09143	1.0
150.12822	2.6
152.10713	0.8
155.56279	0.5
160.11266	1.4
161.11911	0.6
162.12811	5.5
164.10744	0.7
164.14386	1.1
174.12787	2.7
175.13556	1.2
178.12306	0.7
182.11751	1.2
188.14458	0.7
192.13802	0.8
202.16025	0.8
210.14873	5.9
216.13933	1.8
220.13417	0.9
220.17024	1.0
222.14926	2.8
222.96114	0.6
230.15390	1.4
238.17081	0.8
248.16451	63.9
249.16849	4.2
262.17966	1.1
276.19513	0.6
280.19006	1.9
292.18881	0.8
304.19080	1.4
322.20111	12.1
323.20441	1.2
336.18015	6.0
336.21649	42.8
337.18509	0.8
337.21878	2.9
354.18954	33.1
354.22739	100.0
355.19321	3.1
355.23038	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	354.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05516	16.6
56.05039	7.6
57.03430	1.7
57.07078	6.2
57.62119	0.8
58.99591	18.0
61.01150	2.0
65.03941	2.1
67.05505	38.2
69.07071	19.0
69.14948	5.8
70.06585	4.1
71.04986	2.6
71.08631	3.8
73.01112	1.1
73.78217	1.0
74.00664	1.6
76.02235	9.9
79.05496	16.9
80.05003	1.0
81.07057	36.0
83.01286	1.1
83.08615	8.3
84.08150	11.9
85.01122	4.5
86.00647	1.3
86.99054	9.0
87.02695	8.3
88.02216	6.2
88.03985	2.8
91.05480	11.9
93.07050	18.9
95.04959	3.2
95.08604	28.2
96.08115	1.7
97.01094	4.7
97.10155	3.2
98.22621	2.1
99.02677	2.7
101.04252	2.4
105.00108	3.4
105.07023	4.5
106.31001	1.0
107.08592	10.4
108.08105	1.1
109.10167	11.9
110.09737	1.4
110.10458	1.2
111.02724	0.9
113.04234	2.4
115.05798	0.9
117.07010	1.0
119.08583	3.4
121.10127	9.1
122.09669	4.0
123.11716	3.6
124.11192	2.5
127.05810	1.4
131.08594	1.7
133.10114	3.5
134.02715	1.0
134.09634	1.1
135.11719	6.4
136.11237	3.9
137.12050	2.4
137.13179	1.1
138.12807	1.5
140.10786	1.3
141.12691	1.1
145.10161	2.1
147.11684	2.7
149.13264	4.2
150.07741	2.2
150.12683	1.6
151.14835	1.9
155.08887	2.3
161.13243	1.5
163.14775	1.2
210.14876	5.8
231.21216	1.4
233.22670	2.2
250.25308	10.5
256.15387	1.4
263.23492	1.2
265.19797	1.2
282.06079	1.1
291.21564	1.3
308.24088	4.4
319.20898	2.6
331.22968	1.1
336.18146	8.2
336.21875	1.5
337.21823	2.3
354.19101	53.0
354.24557	100.0
354.33636	4.2
355.10806	2.8
355.19711	5.1
355.24561	6.1
355.28491	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	354.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
66.42139	1.0
67.05498	3.8
69.31625	5.0
70.06603	5.7
71.04984	5.0
71.08624	2.8
79.05487	2.5
81.07065	2.3
82.84397	1.1
83.01356	2.4
83.07371	1.5
84.07668	1.8
84.08149	21.6
91.05434	1.8
93.07051	2.0
93.09313	1.3
95.08611	4.2
96.08126	1.4
97.08906	3.4
99.08083	2.1
107.34225	1.0
110.09720	1.6
117.97872	1.3
119.08604	1.4
120.08052	1.1
122.09681	5.7
123.08149	1.2
123.10444	2.6
124.11211	1.8
135.11697	1.5
136.11180	6.2
137.11990	3.8
138.12755	3.6
150.12779	2.0
155.07106	1.1
162.12732	1.9
163.13490	1.2
164.14357	4.0
166.15923	1.8
172.82170	1.4
179.14294	6.8
184.89072	1.3
210.14926	10.1
248.16580	2.1
256.15460	1.4
259.20975	1.4
277.21628	8.7
292.18970	1.5
297.31567	1.2
309.24216	3.2
336.17960	16.9
336.21494	1.6
354.19098	100.0
354.22595	5.1
354.41040	4.2
355.19498	7.7
355.28098	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	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.67744	0.4
63.02367	0.4
63.70729	0.4
69.41009	0.3
69.55775	0.7
69.56172	0.9
79.05480	0.9
83.04994	0.6
85.95855	0.3
89.03915	5.0
95.04969	0.6
98.22748	0.8
99.36028	0.4
99.55389	0.3
107.04957	2.0
108.40345	0.4
109.41759	0.4
111.04427	0.6
112.38777	0.4
117.03377	7.9
135.04407	14.2
136.04715	0.4
136.91983	0.3
145.02846	10.3
146.05992	2.4
147.06339	2.0
163.03897	100.0
164.04242	3.0
192.06496	0.8
193.06888	1.3
252.15892	0.5
263.75476	0.4
292.19089	0.6
338.19501	0.5
350.37189	0.4
355.19131	0.5
356.20602	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.96785	0.3
63.02355	0.4
67.90096	0.3
69.37386	1.6
79.05485	1.1
83.04982	0.7
83.13365	0.3
89.03919	5.7
95.04989	0.4
107.04945	1.7
111.04434	0.4
117.03387	8.6
129.10765	0.3
135.04416	15.6
136.04721	0.5
145.02847	12.8
163.03908	100.0
164.04269	3.1
167.19650	0.3
181.04892	0.4
182.11844	0.3
194.96474	0.3
202.60516	0.3
252.16002	0.6
292.19070	0.9
310.19962	0.4
337.09045	0.4
337.18161	0.6
338.19373	0.5
354.19006	1.0
355.19464	1.1
356.20737	4.2
372.26682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39005	0.2
63.02369	0.4
69.52224	0.5
69.52613	0.4
79.05492	0.9
83.04988	0.6
84.31139	0.3
87.85746	0.3
89.03916	5.7
95.04951	0.8
98.23383	0.5
102.71486	0.2
107.04961	1.9
111.04424	0.4
115.67211	0.2
117.03379	7.9
125.35464	0.3
127.91685	0.3
135.04417	17.2
136.04744	0.6
145.02849	11.6
146.03174	0.4
146.06015	0.9
147.06294	0.6
163.03903	100.0
164.04245	2.4
193.06940	0.5
193.90544	0.3
198.88890	0.3
252.16003	0.4
261.25662	0.3
292.19095	0.5
310.19788	0.4
356.20633	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.85621	0.2
61.02980	0.2
69.03409	0.3
70.13569	0.5
73.84048	0.3
79.05495	0.8
83.04980	0.5
89.03916	5.4
93.03381	0.3
94.93031	0.3
95.04975	0.5
107.04950	2.1
111.04446	0.4
117.03390	8.5
117.75169	0.2
118.03737	0.4
135.04416	16.8
135.24794	0.3
136.04739	0.7
145.02855	12.0
146.03249	0.3
163.03902	100.0
164.04245	3.9
196.87788	0.3
272.89844	0.2
288.20255	0.3
337.09201	0.4
355.13794	0.3
355.19434	0.4
356.20743	1.4
360.52316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
53.03964	0.6
55.01865	2.0
58.06585	0.6
62.01590	0.5
65.03957	0.5
67.57209	0.4
76.95624	0.4
77.03922	0.6
78.04714	0.6
79.05501	1.4
82.47081	0.4
88.49210	0.4
89.03928	1.1
91.05484	12.0
93.07027	1.1
95.04961	5.6
97.02903	1.1
97.06506	0.4
102.04686	15.6
103.05476	14.4
103.05994	0.4
104.05740	0.6
105.03382	0.6
105.04509	0.6
105.07020	4.1
106.04200	1.6
106.22571	0.4
107.04984	0.7
109.06529	0.5
115.05456	1.4
117.03381	1.1
118.04144	0.5
119.04945	4.0
121.06496	2.1
123.04436	6.1
130.04149	11.2
131.04939	10.4
132.05687	0.6
133.02824	1.0
133.06477	4.2
134.03648	0.8
135.04327	0.6
136.06241	0.7
137.05099	0.5
137.05981	3.0
145.02859	1.1
145.06470	0.6
146.03636	0.7
147.04408	14.2
148.04816	0.7
149.05968	11.7
150.06424	0.6
151.03883	0.7
161.04694	0.9
161.05981	12.4
161.07306	0.7
162.03116	1.7
162.06766	27.0
163.03883	0.7
163.07004	0.9
165.05441	0.8
165.06917	0.5
175.05098	1.1
177.05470	14.1
177.06969	0.8
178.06227	3.5
185.09415	0.5
188.04553	0.4
189.07036	1.6
190.07738	1.5
191.06953	1.2
191.08586	2.5
193.04959	11.3
193.06584	0.9
194.05440	0.6
201.05466	2.9
203.07036	0.6
205.06618	0.4
206.07352	1.0
207.08089	1.3
208.08556	0.8
213.05481	0.9
217.06406	0.8
218.07291	1.1
219.08015	4.0
220.05057	0.6
221.09544	0.6
224.63580	0.5
231.06551	4.9
234.06738	1.7
235.07596	2.3
236.08272	0.8
245.05962	0.9
246.06660	0.5
247.07591	1.5
249.09152	1.8
250.09627	1.0
251.06973	0.8
262.06201	0.9
263.07028	2.3
264.07581	0.5
267.09985	0.5
277.08624	1.8
279.10120	0.5
280.07303	0.8
291.06534	1.7
294.09009	0.6
295.09637	2.1
299.72739	0.4
305.08191	0.8
323.09134	100.0
324.09506	8.3
326.33768	0.5
327.12238	1.0
337.10571	3.7
355.07251	0.6
355.11685	10.1
355.14932	0.4
356.12057	0.8
356.21021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
55.01881	3.0
58.06591	1.6
67.05510	0.8
69.03405	0.7
71.45541	0.5
75.25186	0.6
77.03928	1.0
78.04713	0.8
79.05489	2.0
81.03423	1.0
81.07059	1.3
82.43650	0.5
91.05479	16.9
93.07045	1.8
95.04961	7.2
95.08540	0.5
97.02905	2.8
97.06555	0.7
98.97604	0.8
102.04684	19.5
102.06544	0.5
103.05470	17.7
105.03408	3.4
105.04488	0.7
105.07045	5.6
106.04164	2.7
107.04966	0.9
109.06512	0.7
115.05446	2.1
117.03413	0.8
118.04156	0.8
119.04939	5.1
119.48964	0.5
121.06524	3.2
123.04426	7.6
130.04149	15.5
131.04948	11.7
133.02861	1.5
133.06483	4.2
134.03616	1.7
135.04401	2.2
136.06216	2.7
137.05978	2.7
145.02882	0.8
145.15353	0.5
146.03627	1.1
147.03304	1.0
147.04408	15.9
149.05981	12.9
150.06494	0.7
161.05971	12.9
161.07318	0.6
162.03130	3.6
162.06761	28.2
163.03955	2.0
163.07106	1.4
165.05580	1.1
165.06905	0.6
175.05034	1.6
175.07487	0.7
177.05472	11.7
178.06203	4.2
178.07721	1.1
179.07036	0.7
179.08545	0.7
189.07018	1.7
190.07753	1.5
191.08534	3.2
193.04976	11.9
193.06613	1.1
195.07918	0.6
201.05515	0.8
206.07336	0.9
207.07962	1.2
208.08820	0.7
217.06561	1.5
218.07187	0.8
219.08038	3.7
221.09613	0.8
231.06557	4.2
234.06743	2.3
235.07541	2.1
235.70282	0.5
236.08244	0.9
245.06021	1.3
247.07550	1.3
249.09100	1.8
250.09465	3.4
262.06216	1.4
263.07053	2.2
266.09332	0.7
267.13898	1.0
273.05469	0.8
277.08548	1.8
279.10486	0.8
280.07327	0.9
290.05704	0.6
291.06448	1.4
295.09714	2.4
298.09579	1.1
305.08157	0.6
309.11188	0.8
323.09122	100.0
324.09460	8.8
327.12244	1.2
337.10623	4.4
355.11771	6.8
355.24377	4.9
356.11392	0.6
356.20844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03160	1.7
53.03936	1.7
55.01874	4.6
55.05508	4.2
55.49472	1.5
56.26110	1.6
58.52332	1.3
61.26477	1.5
67.05503	7.5
69.03437	5.4
69.07070	6.2
69.31415	1.4
70.39138	3.0
71.04997	6.3
77.03938	2.1
79.05495	25.1
81.03444	1.7
81.07045	8.7
83.04993	7.7
85.06558	1.6
91.05479	21.3
91.06001	2.4
93.07053	20.9
94.07397	2.1
95.04971	11.4
95.08611	5.4
97.02869	1.5
97.06537	15.0
99.04446	9.8
105.04491	2.4
105.07030	71.4
105.07745	3.4
106.07339	3.9
107.04937	9.2
107.08594	18.6
109.02874	1.8
109.06512	9.1
109.10148	2.5
111.04446	2.2
115.05477	2.8
117.07027	11.0
119.04963	5.0
119.08588	5.3
121.06518	31.9
121.07333	2.7
121.10151	1.7
125.05999	6.9
128.06219	3.6
129.07014	4.2
130.07826	4.5
131.08578	12.7
133.06491	23.8
133.10162	4.9
135.04436	5.5
135.08061	6.4
137.06007	4.2
141.06966	2.8
143.07053	6.6
143.08562	8.8
144.09369	5.2
145.06477	13.4
145.10120	56.6
146.10478	2.9
147.08083	2.9
147.11703	1.6
151.07536	5.5
154.07802	3.3
155.08528	8.4
157.10092	1.8
158.07283	20.8
159.08061	10.3
159.11693	30.7
161.09612	5.5
161.13258	1.7
169.06416	1.9
169.10132	8.5
171.08047	3.4
172.08801	7.6
173.09622	100.0
174.09972	4.7
177.12778	2.0
179.08672	3.4
182.07239	4.7
187.11183	49.4
188.11501	2.7
189.09079	2.8
191.10686	5.5
197.09624	14.0
198.06720	1.7
205.12251	23.1
213.09099	1.6
215.10678	54.8
216.11095	4.5
233.11716	29.8
234.12131	2.4
251.12814	5.9
283.13373	1.4
295.43948	1.4
355.11481	3.1
355.15396	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	355.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.05501	2.9
65.03922	1.2
67.05508	6.0
69.03427	15.9
69.07066	7.5
69.76006	3.3
71.04990	4.7
71.11909	1.0
79.05493	13.6
81.07057	7.6
83.04975	4.0
91.05485	13.9
93.07030	4.2
95.04978	8.5
95.08616	2.7
97.06535	21.4
98.23356	2.0
99.04465	7.5
103.05449	3.5
105.03367	1.2
105.07031	75.6
106.07359	3.1
107.04951	3.3
107.08591	8.5
109.06507	4.0
109.10129	2.6
111.04458	1.3
115.05458	2.6
117.07034	6.9
119.04989	1.4
119.06026	1.1
119.08561	4.5
121.06535	7.5
121.10171	1.3
125.05956	3.6
128.06210	2.3
129.06990	3.0
130.07787	5.9
131.08580	11.0
133.06516	11.7
133.10117	9.2
135.04399	4.7
137.05992	1.6
140.52670	1.1
141.06937	3.2
143.07057	1.7
143.08553	5.0
144.09297	5.2
145.06461	8.2
145.10123	100.0
146.10410	2.7
147.08081	1.7
147.11688	2.6
151.07510	1.7
151.11223	1.1
154.07756	2.8
155.08556	3.5
157.06470	1.2
157.10155	2.1
158.07263	12.2
159.08057	6.8
159.11700	31.0
160.12036	2.2
161.05972	1.2
161.09610	9.8
163.11104	1.7
165.09109	1.2
169.10161	5.4
171.08051	2.3
171.11694	1.4
172.08792	3.5
173.06094	1.4
173.09619	49.0
174.09962	2.7
175.11188	1.3
185.09492	1.6
187.11165	28.2
188.11493	2.2
189.12796	2.4
197.09612	7.2
199.07530	2.2
205.12239	59.8
206.12578	3.2
215.10674	71.3
216.11029	5.6
233.11732	13.7
241.08551	3.3
251.12733	1.5
259.09628	2.5
267.13730	1.6
269.51407	1.0
311.12891	1.4
337.14243	2.5
355.11493	2.4
355.15387	16.3
355.19449	2.0
356.15051	1.1
365.75031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26748	1.3
55.05511	6.4
56.96564	4.7
57.07061	1.6
58.06602	2.8
60.79718	1.4
64.84538	1.4
67.05508	13.0
69.07080	8.4
69.76573	5.2
70.06590	14.9
70.95473	1.5
74.06078	4.2
79.05486	2.1
80.94844	2.7
81.07053	8.9
81.32964	1.4
82.18073	1.4
83.08612	2.1
88.07634	21.1
89.81541	1.7
89.87061	1.4
95.08620	8.0
95.44794	1.3
97.02861	3.2
98.97598	4.9
102.09196	3.8
102.33979	1.3
106.08665	10.1
109.10149	1.5
110.97562	1.6
116.38793	1.7
116.98630	2.8
128.98610	2.4
136.06236	3.3
213.20564	1.5
243.21852	1.5
250.09203	3.3
256.53757	1.6
274.97461	2.3
310.31253	1.9
315.16318	8.2
333.17279	13.1
336.32513	5.8
337.32880	1.8
354.33658	100.0
355.16034	22.1
355.33963	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42623	0.3
59.73036	0.3
62.98257	0.9
63.45680	0.3
67.05492	0.5
69.15183	2.0
77.96950	1.3
81.07018	0.5
84.08134	0.9
93.15618	0.3
95.08576	0.5
98.97584	0.4
103.98496	1.6
106.20526	0.3
116.99274	2.0
118.00054	0.4
131.00781	0.8
160.04733	0.5
173.05496	4.9
174.06171	0.4
187.03389	0.6
187.07115	0.8
199.51753	0.3
210.14748	0.4
211.15224	0.6
215.06500	1.5
217.08165	0.5
227.10202	0.4
245.07565	2.3
246.08394	0.8
278.07126	0.7
337.18076	1.6
355.18558	100.0
356.18884	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24997	1.0
56.97271	1.1
57.07078	100.0
58.07407	2.1
61.28632	1.2
63.03329	1.1
64.43754	1.0
67.05505	14.9
69.07067	3.3
69.17027	4.5
69.17434	2.0
71.08273	2.0
71.08633	28.2
81.06634	1.6
81.07057	21.6
82.09808	1.0
83.08618	2.1
85.10186	19.8
89.13628	1.1
95.08606	23.0
96.08955	1.2
102.75423	1.1
108.42213	1.2
109.10157	13.2
123.00403	1.3
127.11197	58.6
137.13216	6.3
155.14311	41.1
155.15642	1.5
156.14670	2.0
226.19283	1.1
280.87967	1.1
332.26736	1.2
355.28427	98.5
356.28784	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	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02818	1.1
55.05505	3.4
57.07079	100.0
58.07417	1.5
59.05010	1.5
67.05505	16.3
68.60828	1.2
69.07054	3.5
71.08276	2.4
71.08633	27.9
81.07057	17.9
83.08636	1.9
83.86567	1.4
85.10183	14.4
88.66042	1.3
95.08604	23.2
109.10154	7.5
127.11204	35.9
128.11510	1.7
137.13245	2.7
137.60846	1.6
139.56303	1.3
148.01833	1.2
154.15965	1.5
155.14305	26.8
155.15492	2.2
156.14603	2.0
157.83215	1.3
189.16127	1.4
233.95227	1.4
277.46878	1.3
351.52582	1.5
355.28409	65.3
356.28723	6.6
364.85452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13811	1.1
50.87683	1.0
55.05514	13.8
57.03430	2.5
57.07068	8.8
58.06591	1.9
66.65810	1.0
67.05500	17.3
69.07074	13.4
69.09232	3.2
69.09655	4.8
70.06587	10.0
71.08629	3.0
79.05495	5.6
81.07054	19.9
83.05014	1.0
83.08620	10.5
85.06566	1.6
85.10175	1.5
88.07630	14.6
91.05484	4.0
93.07040	8.6
94.62614	1.0
95.08610	18.7
97.02904	1.8
97.06526	1.6
97.10178	6.2
98.97580	1.7
102.09196	4.6
105.07037	3.6
106.08669	6.1
107.08608	3.0
109.10152	9.1
111.11739	2.2
119.08577	3.7
121.06509	3.0
121.10155	5.7
123.11687	4.7
127.11227	1.7
133.10135	4.5
135.11691	3.5
137.13263	2.2
147.11693	2.6
149.13269	2.6
151.14838	2.1
155.14259	1.3
155.28705	1.1
161.13269	3.3
163.14786	3.8
165.09148	1.8
165.16316	1.4
175.14821	1.9
179.17947	1.2
227.12833	3.6
245.22708	9.8
246.23317	1.2
250.09366	1.1
263.23730	10.9
264.23856	1.1
270.56180	1.0
290.94562	1.8
308.31265	1.1
337.27301	7.8
338.34085	6.6
343.66098	1.1
355.16473	3.9
355.28540	4.4
355.33984	3.0
356.20535	2.0
356.35208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05515	27.6
57.03437	4.9
57.07078	11.7
65.03942	1.4
67.05507	59.2
67.05867	3.2
69.07070	34.1
70.01955	4.0
70.06593	10.1
71.04990	2.7
71.08624	4.5
72.08129	1.9
74.06055	1.3
79.05496	20.5
81.07060	63.5
82.07397	1.4
83.04976	1.6
83.08626	22.4
85.06535	2.7
85.10180	6.8
88.07622	15.3
91.05490	13.4
93.07045	24.6
95.08611	54.8
96.08956	1.6
97.06548	7.7
97.10167	16.0
97.10744	1.5
99.08076	2.2
102.09172	3.0
105.07016	10.7
106.08646	7.2
107.08595	15.5
108.72298	1.3
109.10163	29.1
109.10897	2.5
111.08109	3.4
111.11711	6.0
113.09618	3.1
119.08605	10.7
121.10155	23.2
122.12856	1.2
123.11715	14.6
125.13329	2.0
133.10127	13.1
135.11711	11.5
137.13248	5.5
138.12776	1.3
141.12683	2.4
147.11688	10.4
149.13264	10.4
151.14832	3.7
153.12708	1.8
161.13268	11.1
163.14810	7.8
165.12885	1.6
165.16444	5.2
175.14745	6.0
177.16380	1.8
179.17944	4.4
189.16443	3.7
193.15872	1.9
245.20164	1.9
245.22658	32.2
246.23010	2.6
263.23734	34.3
264.24084	1.8
265.25037	2.2
291.36957	1.2
299.25760	2.1
337.27426	16.2
337.33105	1.4
338.34113	5.7
355.15125	2.1
355.19446	5.5
355.28104	5.6
355.33902	3.6
356.35214	100.0
356.38391	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	355.2843
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03940	2.5
55.01859	3.0
55.05257	2.3
55.05509	33.3
56.05854	2.1
57.03426	11.5
57.06819	1.9
57.07075	17.2
58.40393	1.3
65.03933	3.6
67.05504	83.4
68.05849	2.3
69.03439	1.9
69.07066	47.5
69.07442	2.4
69.63431	4.6
70.06579	6.1
71.05003	3.1
71.06906	2.1
71.08636	6.9
77.03870	1.5
79.05491	30.9
81.07056	100.0
82.07385	4.0
83.04990	4.1
83.08617	31.8
84.08144	4.5
85.06531	2.6
85.10172	3.9
88.07639	9.2
91.05469	21.0
92.09286	1.3
93.07037	29.9
93.07595	2.4
94.07383	1.4
95.04970	3.0
95.08605	89.8
96.08943	3.9
97.06528	9.4
97.10164	21.3
99.05564	1.7
99.08095	4.4
102.52193	1.5
103.03926	3.2
105.07045	14.1
106.08674	2.6
106.75284	1.4
107.08593	24.3
109.10153	46.5
111.08079	3.8
111.11734	5.9
119.08587	16.0
121.09284	1.7
121.10145	25.8
123.08062	3.3
123.11688	23.0
125.09620	3.3
125.13266	3.0
127.11201	2.6
129.05566	1.7
133.10114	19.7
135.08061	2.3
135.11687	13.9
137.09642	4.8
137.13235	11.5
139.11217	1.9
141.12715	2.9
147.11682	12.3
149.13251	14.9
150.06662	1.8
151.11148	3.0
151.14861	7.1
155.14433	2.3
161.13272	13.9
163.14813	13.7
165.09032	1.5
165.12723	2.3
165.16373	7.1
167.14383	1.8
175.14804	10.2
177.16455	2.1
179.14310	3.3
179.17984	4.7
181.15863	2.0
185.15431	1.6
189.16463	6.5
203.17918	2.1
245.22650	51.7
246.23036	3.2
263.23700	52.9
264.24115	4.7
315.16873	1.3
333.17447	2.6
337.18304	5.6
337.27325	37.8
337.33124	2.9
354.33646	2.0
355.19324	28.2
355.23654	2.4
355.28598	15.1
355.33972	56.1
356.20370	2.4
356.34348	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	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01862	3.6
57.03431	4.7
61.02924	8.2
69.03427	28.6
69.74133	3.1
71.04998	3.0
73.02916	7.6
81.03423	18.0
85.02903	96.9
86.03220	1.4
87.04465	22.9
88.44009	1.2
91.03947	5.8
97.02892	26.2
98.22747	2.3
99.04441	5.9
103.03926	1.6
109.02871	10.7
115.03927	100.0
116.04221	1.8
127.03915	44.0
128.04276	1.5
133.04964	40.6
145.04955	58.3
145.08615	2.1
146.05324	1.8
163.03967	1.3
163.06006	11.6
175.74133	1.2
189.24551	1.4
241.07011	2.5
259.08124	15.1
277.09167	28.5
303.10925	1.5
311.81491	1.3
338.19571	4.0
356.20590	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	356.2067
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
55.01880	0.2
67.05507	0.3
69.03423	0.5
69.22409	0.2
69.56396	0.9
70.06580	0.4
78.36300	0.2
79.05477	0.5
80.04997	0.3
81.07055	0.3
81.53962	0.2
85.02935	0.3
85.06535	0.4
87.96997	0.2
91.05486	0.3
94.06557	0.6
95.04961	1.7
95.08649	0.3
96.08161	0.4
98.22668	0.6
110.09668	0.9
111.10467	0.5
113.06007	0.8
117.03364	0.6
118.03721	0.6
120.08083	0.3
122.09682	0.4
123.04436	0.4
124.11209	0.6
132.82945	0.2
134.09673	0.6
135.04414	1.2
136.04774	1.0
136.11197	2.5
145.02856	0.7
145.10127	0.3
146.03204	0.8
146.09657	0.4
147.04431	0.3
147.10477	0.4
148.11229	0.7
150.09108	0.4
150.12750	0.6
152.10715	0.8
160.11226	2.2
162.12787	4.9
163.03903	6.4
163.13513	0.7
164.04240	6.8
164.10735	0.3
176.14342	2.5
178.12228	2.3
180.10022	0.2
180.13838	0.4
182.11847	0.7
186.12804	0.3
188.14291	0.5
190.12228	0.5
192.13879	0.6
198.14957	0.7
204.13849	1.0
210.14900	3.2
216.13799	1.8
218.15363	1.4
222.14925	1.0
224.16496	1.1
234.14882	7.5
235.15231	0.5
236.16422	0.5
248.16457	6.5
249.17197	0.8
250.18018	2.4
252.15955	14.7
253.16331	1.0
256.17038	0.4
264.15894	0.8
266.17493	0.3
268.19244	0.5
274.17993	0.8
276.19464	0.3
282.17108	0.4
290.17465	0.3
292.19049	22.2
293.19382	1.6
310.20105	14.3
311.20407	1.1
320.18448	0.8
338.19614	11.4
338.23749	0.5
339.20038	0.6
356.20657	100.0
357.20978	7.2
357.25439	0.4
367.47031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2067
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
55.01871	1.5
57.03430	0.8
67.05495	0.6
69.03430	0.9
69.07057	0.6
69.86089	0.9
70.06589	0.8
79.05471	0.6
80.05019	0.7
81.07067	0.7
84.08138	0.4
85.02908	4.2
91.05471	0.6
93.07047	0.9
94.06549	1.6
95.04977	0.7
95.07402	0.3
96.08118	1.2
96.65955	0.4
97.06543	0.5
103.03960	0.9
105.07036	1.0
106.06567	0.5
107.08585	0.5
108.08119	1.1
110.09688	3.3
112.11241	0.9
113.05998	0.6
115.11607	0.4
120.08109	0.7
122.09666	1.8
124.11251	3.0
125.05979	1.6
131.08580	0.4
134.09601	0.8
136.11214	7.9
137.11623	0.6
141.09076	0.4
142.08551	0.4
146.09758	0.4
148.11235	1.3
150.09132	1.4
150.12794	0.5
152.10774	0.8
160.11320	0.5
162.12791	5.0
163.13513	0.5
164.10640	0.4
166.12379	0.4
168.10162	0.7
170.17511	0.4
176.10654	1.1
178.12279	1.0
182.11760	0.5
182.15428	0.5
186.11388	0.4
190.12257	0.8
190.15860	0.5
194.11804	0.6
202.12346	0.4
206.15332	0.4
208.16957	1.0
218.15358	0.6
228.13863	0.6
234.14877	1.2
236.12856	0.4
236.16452	10.6
237.16843	0.5
238.14394	1.6
246.14876	1.1
254.17551	4.2
264.15945	33.2
265.16351	2.4
282.16943	5.2
292.19043	0.4
294.20636	0.8
311.16507	0.4
312.21622	0.9
320.18564	3.3
338.19604	18.5
339.20047	1.6
355.05704	0.3
356.20657	100.0
357.21017	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	356.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
56.05034	0.4
57.03425	1.1
64.89476	0.4
67.24738	0.4
69.03426	0.6
69.07059	0.4
70.06586	0.7
70.39198	0.9
79.05511	0.5
79.78453	0.3
80.04999	1.3
84.08148	0.4
85.02901	4.6
86.13792	0.4
91.05458	0.5
93.07034	0.9
94.06571	1.0
95.08579	0.7
96.08123	1.0
103.03921	0.9
105.07001	0.5
106.06548	0.4
108.08099	0.5
110.09704	1.9
112.11271	0.7
120.08083	0.8
122.09664	1.6
124.11205	2.8
125.05963	0.8
130.76787	0.4
134.09695	1.1
136.11201	6.4
148.11191	1.2
150.09114	1.8
152.10786	0.4
160.11137	0.4
162.12779	4.6
163.03960	0.6
163.13152	0.4
164.04263	0.7
164.10783	0.4
168.10161	1.0
176.10655	0.7
182.11632	0.4
184.13376	0.4
190.12231	0.6
190.15814	0.4
218.15378	0.5
234.14931	0.6
236.16431	10.6
237.16890	0.5
238.14297	1.9
254.17523	5.4
264.15945	22.4
265.16315	1.1
282.16983	7.5
294.20535	0.9
312.21793	0.6
316.88254	0.5
320.18561	4.1
338.19595	14.5
339.19791	0.8
356.20642	100.0
357.20950	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	356.2072
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
55.05497	1.0
67.05508	2.1
68.05031	0.8
68.16945	0.4
69.03436	3.4
69.42645	1.4
70.06586	1.0
71.04993	2.6
79.05476	1.5
79.34441	0.4
80.05022	5.5
80.75294	0.4
81.07054	2.6
82.06584	0.7
84.17398	0.4
85.06553	0.8
86.09686	0.9
91.05460	1.5
93.07035	1.6
94.06566	2.6
95.04974	13.2
95.07314	0.5
95.08620	0.9
96.08153	0.8
97.06541	0.9
98.23417	0.9
99.04437	0.6
99.08068	0.6
105.07037	1.9
106.06570	1.2
107.07329	0.5
107.08595	1.1
108.08116	1.6
109.06508	0.9
109.10171	1.6
110.09662	0.6
111.08106	0.6
119.08579	1.0
120.08109	3.7
122.09660	2.9
124.07582	0.7
126.09185	0.7
127.11115	0.5
131.08595	0.7
132.08084	1.5
133.08904	0.5
133.10146	0.8
134.09628	3.3
135.08026	0.6
136.07533	1.1
136.11278	1.0
137.05959	0.6
137.09573	0.9
138.09070	0.7
143.08525	0.5
144.08112	0.6
145.08873	0.8
146.06000	0.8
146.09612	2.2
147.10478	0.5
148.07570	2.4
148.11197	2.7
150.09152	4.6
152.10677	0.6
153.09116	0.6
158.09590	0.8
160.07538	1.0
160.11218	3.4
161.08371	0.6
161.09598	1.0
162.09143	3.7
162.12784	1.6
163.03935	1.6
164.04286	2.0
164.10666	1.2
166.12265	1.1
168.10249	0.7
171.16666	0.5
174.09184	2.6
174.12787	0.7
176.10826	0.5
176.14302	0.8
178.12273	16.7
180.13846	1.3
186.12698	0.6
188.10696	1.1
188.14372	1.8
190.12267	0.8
192.10394	0.5
192.13774	0.9
194.15503	0.8
196.13336	0.8
202.12311	1.1
204.13837	2.0
206.15390	2.8
208.15283	0.5
208.16968	2.0
214.12196	0.8
216.13831	5.0
218.15430	2.0
222.14906	4.0
224.16376	0.6
228.95866	0.5
234.14885	37.7
235.15192	2.0
236.16452	2.6
240.12303	0.5
240.15863	1.1
246.14903	2.5
248.12961	0.6
248.16470	1.4
250.17993	1.0
252.15948	13.0
253.16208	0.7
254.17581	0.9
256.17029	0.9
264.16068	0.8
264.19592	1.6
267.22928	0.5
268.19144	0.8
270.16995	1.7
274.17972	5.1
276.19498	0.6
282.17010	1.2
284.16534	1.6
292.15872	0.9
292.19064	14.2
293.19406	1.4
302.17560	1.8
310.20105	26.9
311.20401	1.6
320.18591	6.1
328.21182	2.9
329.21429	0.5
338.15759	0.8
338.19617	10.7
339.19812	0.7
356.20657	100.0
357.21069	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	356.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
67.05507	0.3
69.03423	0.5
69.22409	0.2
69.56396	0.9
70.06580	0.4
78.36300	0.2
79.05477	0.5
80.04997	0.3
81.07055	0.3
81.53962	0.2
85.02935	0.3
85.06535	0.4
87.96997	0.2
91.05486	0.3
94.06557	0.6
95.04961	1.7
95.08649	0.3
96.08161	0.4
98.22668	0.6
110.09668	0.9
111.10467	0.5
113.06007	0.8
117.03364	0.6
118.03721	0.6
120.08083	0.3
122.09682	0.4
123.04436	0.4
124.11209	0.6
132.82945	0.2
134.09673	0.6
135.04414	1.2
136.04774	1.0
136.11197	2.5
145.02856	0.7
145.10127	0.3
146.03204	0.8
146.09657	0.4
147.04431	0.3
147.10477	0.4
148.11229	0.7
150.09108	0.4
150.12750	0.6
152.10715	0.8
160.11226	2.2
162.12787	4.9
163.03903	6.4
163.13513	0.7
164.04240	6.8
164.10735	0.3
176.14342	2.5
178.12228	2.3
180.10022	0.2
180.13838	0.4
182.11847	0.7
186.12804	0.3
188.14291	0.5
190.12228	0.5
192.13879	0.6
198.14957	0.7
204.13849	1.0
210.14900	3.2
216.13799	1.8
218.15363	1.4
222.14925	1.0
224.16496	1.1
234.14882	7.5
235.15231	0.5
236.16422	0.5
248.16457	6.5
249.17197	0.8
250.18018	2.4
252.15955	14.7
253.16331	1.0
256.17038	0.4
264.15894	0.8
266.17493	0.3
268.19244	0.5
274.17993	0.8
276.19464	0.3
282.17108	0.4
290.17465	0.3
292.19049	22.2
293.19382	1.6
310.20105	14.3
311.20407	1.1
320.18448	0.8
338.19614	11.4
338.23749	0.5
339.20038	0.6
356.20657	100.0
357.20978	7.2
357.25439	0.4
367.47031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05502	1.2
57.03431	2.2
62.51720	0.5
67.05508	1.1
68.05015	2.3
69.03415	2.8
69.07059	0.6
69.27463	0.8
69.27865	1.9
70.06589	3.7
71.04993	2.7
77.96918	0.5
79.05497	1.5
80.05009	2.8
81.07056	1.2
82.06577	0.6
83.04967	0.5
84.04489	1.2
84.08151	0.5
85.02908	5.1
85.06540	1.3
91.05495	1.6
93.07054	1.3
94.06573	2.7
95.04969	1.7
95.08587	0.8
96.08126	1.8
97.06527	1.0
99.04456	3.7
105.07022	0.5
107.08591	0.8
108.08134	1.1
109.10117	0.6
110.06034	0.6
111.04460	0.8
111.08078	3.2
112.07592	4.3
115.03902	0.6
117.05536	1.2
117.07113	0.5
119.08591	0.9
120.08110	1.1
120.27547	0.6
122.05997	0.5
122.09692	1.2
123.08001	0.5
124.07586	0.6
124.11253	0.6
125.09624	2.9
127.03903	0.6
127.07529	4.0
130.05000	1.0
130.09767	0.9
131.10634	0.7
134.09651	1.7
135.04436	0.7
135.08047	0.7
136.07571	1.6
136.11201	2.9
138.09196	0.8
140.51825	0.5
145.10089	0.6
147.04401	0.7
147.11720	0.6
148.07561	0.8
148.11162	0.5
150.09137	1.7
152.10692	0.9
153.09123	1.3
153.81450	0.6
154.08672	2.6
154.12253	3.4
155.10669	0.6
160.07568	1.2
160.11256	1.0
162.09113	1.2
162.12755	2.7
163.03911	1.6
164.04276	1.9
164.10773	1.2
168.10210	0.8
172.11234	0.6
174.12787	0.9
176.10678	0.8
176.14342	1.4
178.12141	0.7
180.13789	0.9
181.05020	0.7
182.11717	1.1
186.12758	0.7
187.09781	0.5
188.10716	0.5
190.12196	0.5
192.10194	0.9
192.13850	0.6
196.13264	0.5
198.14891	1.6
202.12192	2.7
204.13870	1.9
218.11797	2.0
218.15410	1.0
220.13315	3.9
222.14879	5.1
224.12781	0.7
228.13820	0.7
232.13327	0.9
234.14868	1.9
238.14464	0.8
240.15952	1.7
246.15044	2.6
246.17120	0.5
248.16463	2.0
250.14374	20.3
250.18198	1.0
251.14711	0.9
252.15953	5.3
254.37349	0.5
260.16464	0.7
264.15982	7.4
270.16998	3.1
274.17960	0.8
280.19083	1.4
288.15967	2.1
292.19003	8.0
293.19360	0.7
296.18625	2.8
306.16992	5.3
310.20078	5.0
314.19522	6.1
320.18649	1.4
324.18127	7.8
325.18167	0.7
338.19608	27.8
338.23138	1.2
339.19965	1.4
356.20645	100.0
357.15140	1.6
357.20947	6.5
357.24762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05511	2.3
56.05033	1.5
57.03442	3.1
59.04981	0.7
61.02927	1.1
65.85019	0.6
67.05502	3.0
68.05027	6.2
69.03436	4.8
69.07063	2.9
69.98483	0.6
70.06586	4.9
70.86987	1.3
71.05001	3.6
72.04526	1.2
78.11385	0.7
79.05490	3.0
80.05021	5.7
81.07065	3.8
81.29611	0.7
82.06590	0.9
83.04996	1.4
83.25671	0.6
84.04504	11.2
84.08138	1.3
85.02911	8.2
85.06541	1.8
87.04493	0.9
91.05491	3.1
93.07032	3.8
94.06568	6.6
95.04971	2.8
95.08597	3.3
96.04461	0.8
96.08131	1.8
97.06546	1.8
98.06038	0.9
99.04453	12.6
104.88262	0.6
105.07039	2.8
106.06566	1.6
107.08581	3.1
108.08127	1.9
109.06515	1.2
109.10178	0.7
110.09660	0.7
111.04430	2.4
111.08094	3.2
112.07619	8.1
113.09646	1.0
114.05546	1.2
117.05527	1.2
117.07043	1.5
118.06591	0.7
119.08591	2.4
120.08124	3.3
122.09661	3.8
123.08065	1.0
124.07577	1.0
125.06017	0.8
125.09606	4.9
125.10262	0.5
126.09154	1.1
127.07542	1.7
129.07047	1.3
129.09131	0.7
130.05009	5.9
130.06554	0.9
131.08600	0.8
131.10670	2.4
131.14612	0.6
132.08075	1.2
133.10149	0.7
134.06020	0.7
134.09662	2.0
135.08043	1.3
136.07567	4.3
136.11200	4.0
138.09167	1.5
142.03249	0.9
145.10071	0.6
146.06013	0.8
146.09650	1.6
147.06789	1.0
147.08017	0.7
147.11665	1.1
148.07573	2.8
148.11226	1.8
149.09686	0.8
149.12065	0.7
150.09148	4.3
150.12819	1.0
152.10696	2.0
153.09097	1.0
154.08629	6.6
154.12274	5.9
159.08052	0.6
160.07571	5.9
160.11235	1.8
161.08318	0.9
161.09636	0.7
162.02234	0.6
162.09158	3.7
162.12802	4.3
163.03912	1.3
164.04251	1.3
164.10735	2.3
168.10254	1.1
173.11998	0.7
174.09235	1.2
174.12827	2.4
176.10725	2.0
176.14333	1.3
178.12296	2.7
179.10670	0.8
180.13847	2.4
182.11824	0.7
186.09186	1.7
186.12839	0.6
187.09808	0.9
190.12234	1.7
192.10220	1.7
192.13800	1.6
193.60246	1.7
194.11757	0.9
194.15410	2.1
198.14865	0.8
202.12257	7.6
203.12909	0.9
204.10220	3.1
204.13802	5.5
206.11703	0.7
208.13364	1.1
208.17009	1.3
210.14958	0.8
218.11827	1.2
218.15384	1.9
220.13341	11.5
220.16861	0.8
221.13893	1.1
222.11337	1.0
222.14876	8.0
223.15071	0.8
228.13828	1.2
230.11809	0.7
232.13536	1.1
234.14880	2.2
236.16414	1.4
238.14314	3.1
238.18011	2.8
240.15891	2.9
245.05917	0.8
246.14902	8.3
247.15271	0.8
248.12842	1.3
248.16489	2.2
250.14423	4.7
252.15948	8.0
254.17554	1.0
262.18100	0.9
264.15952	20.7
266.60999	0.7
270.14584	0.8
270.17065	6.0
274.17950	1.1
275.48996	0.6
278.17554	1.3
280.19019	4.7
282.16922	2.4
288.15961	4.0
292.19025	7.0
296.18478	5.6
306.17001	14.7
307.17346	1.3
310.20111	6.8
314.19577	9.0
320.18555	3.4
324.17996	4.1
338.19598	29.4
338.23584	1.7
339.19876	1.7
356.17123	5.2
356.20676	100.0
357.15225	1.6
357.21069	8.4
372.18231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
67.05508	2.1
68.05031	0.8
68.16945	0.4
69.03436	3.4
69.42645	1.4
70.06586	1.0
71.04993	2.6
79.05476	1.5
79.34441	0.4
80.05022	5.5
80.75294	0.4
81.07054	2.6
82.06584	0.7
84.17398	0.4
85.06553	0.8
86.09686	0.9
91.05460	1.5
93.07035	1.6
94.06566	2.6
95.04974	13.2
95.07314	0.5
95.08620	0.9
96.08153	0.8
97.06541	0.9
98.23417	0.9
99.04437	0.6
99.08068	0.6
105.07037	1.9
106.06570	1.2
107.07329	0.5
107.08595	1.1
108.08116	1.6
109.06508	0.9
109.10171	1.6
110.09662	0.6
111.08106	0.6
119.08579	1.0
120.08109	3.7
122.09660	2.9
124.07582	0.7
126.09185	0.7
127.11115	0.5
131.08595	0.7
132.08084	1.5
133.08904	0.5
133.10146	0.8
134.09628	3.3
135.08026	0.6
136.07533	1.1
136.11278	1.0
137.05959	0.6
137.09573	0.9
138.09070	0.7
143.08525	0.5
144.08112	0.6
145.08873	0.8
146.06000	0.8
146.09612	2.2
147.10478	0.5
148.07570	2.4
148.11197	2.7
150.09152	4.6
152.10677	0.6
153.09116	0.6
158.09590	0.8
160.07538	1.0
160.11218	3.4
161.08371	0.6
161.09598	1.0
162.09143	3.7
162.12784	1.6
163.03935	1.6
164.04286	2.0
164.10666	1.2
166.12265	1.1
168.10249	0.7
171.16666	0.5
174.09184	2.6
174.12787	0.7
176.10826	0.5
176.14302	0.8
178.12273	16.7
180.13846	1.3
186.12698	0.6
188.10696	1.1
188.14372	1.8
190.12267	0.8
192.10394	0.5
192.13774	0.9
194.15503	0.8
196.13336	0.8
202.12311	1.1
204.13837	2.0
206.15390	2.8
208.15283	0.5
208.16968	2.0
214.12196	0.8
216.13831	5.0
218.15430	2.0
222.14906	4.0
224.16376	0.6
228.95866	0.5
234.14885	37.7
235.15192	2.0
236.16452	2.6
240.12303	0.5
240.15863	1.1
246.14903	2.5
248.12961	0.6
248.16470	1.4
250.17993	1.0
252.15948	13.0
253.16208	0.7
254.17581	0.9
256.17029	0.9
264.16068	0.8
264.19592	1.6
267.22928	0.5
268.19144	0.8
270.16995	1.7
274.17972	5.1
276.19498	0.6
282.17010	1.2
284.16534	1.6
292.15872	0.9
292.19064	14.2
293.19406	1.4
302.17560	1.8
310.20105	26.9
311.20401	1.6
320.18591	6.1
328.21182	2.9
329.21429	0.5
338.15759	0.8
338.19617	10.7
339.19812	0.7
356.20657	100.0
357.21069	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	356.207
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
55.05510	1.3
56.34004	0.7
57.83453	0.6
58.90691	0.7
67.05485	2.1
68.05028	1.4
69.03433	5.3
69.99618	0.7
70.06566	0.7
71.04993	5.5
72.50157	0.6
80.05017	1.4
81.07053	2.1
82.06582	0.9
84.08157	0.6
85.06544	0.6
87.46053	0.6
87.94540	0.6
89.44529	0.6
91.05461	0.9
93.07021	1.6
94.06562	2.4
95.04963	1.3
95.08591	1.0
96.08130	0.9
97.06532	1.7
99.04462	1.7
99.08055	1.0
100.90046	0.7
105.07041	2.1
108.68846	0.7
109.06494	0.9
109.10153	2.6
111.08105	1.0
119.08539	1.1
120.08126	3.6
122.09660	2.6
124.07586	1.1
125.09643	2.4
131.08553	0.9
132.08043	0.8
134.09689	1.9
135.10472	0.7
136.11122	0.9
137.09665	1.1
138.09105	2.1
146.09628	1.1
148.07588	4.3
148.11185	1.9
150.09157	2.8
152.10663	0.8
153.09122	2.6
160.07555	0.7
160.11150	0.9
161.09618	1.1
162.09138	1.5
166.08635	2.3
166.12239	1.3
171.10219	0.9
172.34993	0.7
174.12820	1.3
176.10722	1.3
177.09105	1.7
178.12250	1.2
184.13467	0.7
186.12767	1.9
190.12349	1.1
194.15382	3.3
199.63226	0.6
200.14368	0.8
204.13821	8.6
206.15309	1.0
214.12234	1.2
218.11879	0.9
218.15393	2.4
220.13292	1.0
222.12714	1.4
222.14897	26.5
223.15269	2.3
228.13858	1.3
232.13339	3.1
236.16501	8.4
240.15929	0.8
246.14873	3.2
246.18509	1.8
247.15308	0.7
248.16533	0.7
250.14357	1.7
250.17804	2.1
256.16959	2.2
264.15933	1.3
264.19562	2.1
274.18030	18.2
275.18332	0.9
284.16388	2.0
292.19064	55.8
293.19464	4.9
302.17490	5.3
310.20132	35.6
311.20535	2.5
320.18564	21.7
321.19003	2.0
324.20898	0.7
338.19589	100.0
339.19962	7.8
356.20425	11.7
356.24051	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96315	1.3
56.96566	9.0
57.52057	0.7
69.03426	2.7
69.80587	0.7
69.80917	2.5
70.06596	1.4
71.04996	1.1
72.08158	1.0
73.02953	0.8
77.34596	0.8
81.03408	1.4
84.08156	2.8
85.02912	7.5
87.04485	2.2
91.03970	1.0
97.02885	2.1
98.23380	1.2
98.97578	24.1
99.04433	1.0
99.97926	0.8
105.01904	0.9
105.07029	0.7
109.02878	2.0
110.97572	1.5
111.08094	0.8
112.05119	1.6
112.92325	2.3
115.03921	6.8
116.04248	0.7
116.98616	11.3
123.06822	1.6
125.86092	0.7
127.00673	1.4
127.03934	2.9
128.98631	1.5
130.92308	1.5
130.93300	30.7
132.08078	0.8
132.10196	1.2
133.04961	2.9
134.99629	4.0
136.07556	1.2
142.85295	0.8
143.00188	1.9
145.04964	4.4
148.07585	2.4
148.94353	4.6
150.09134	1.2
152.07068	1.5
154.93358	2.2
155.00159	1.3
157.99483	1.0
158.92819	4.1
160.07596	2.1
161.01208	1.6
161.02927	0.7
172.94351	59.0
173.01329	1.5
176.93832	2.6
176.97418	1.1
177.00827	1.1
178.08640	4.9
180.94960	0.9
182.96451	4.3
183.97087	0.7
189.00685	1.1
190.95398	47.8
191.02322	1.1
194.11949	0.8
196.09674	9.2
198.95959	6.8
200.93843	2.0
200.97507	5.5
206.96342	1.3
208.13345	2.7
208.96471	9.9
210.00388	1.2
214.95354	6.9
216.96967	9.0
216.98732	1.4
218.94876	6.8
219.02055	3.1
219.99869	1.0
220.01984	1.1
221.01941	1.1
224.10286	2.0
224.97482	35.9
225.97858	1.5
228.96866	1.2
231.02087	0.9
232.96426	21.1
232.98650	1.1
233.97108	1.0
234.97821	4.3
234.99930	1.1
236.95964	3.8
240.97017	2.2
242.98538	87.6
243.98843	4.2
244.96349	1.3
246.97885	1.5
248.99429	0.8
250.97456	7.4
252.96703	0.9
256.96527	2.6
258.97958	12.3
259.08069	1.3
260.99582	43.1
262.97345	1.8
270.98041	3.5
272.94427	1.1
274.97510	17.3
275.00378	1.0
276.98792	5.7
277.09146	2.3
279.00735	10.2
284.01044	1.0
284.99097	1.0
286.01190	1.5
286.97586	3.0
288.92197	0.8
288.99039	15.6
289.99066	0.9
290.95529	1.7
291.00500	1.2
292.98428	8.1
295.01538	1.0
296.95694	4.3
304.98541	3.5
307.00150	9.9
314.97061	31.2
315.03928	2.6
315.97397	1.3
316.98370	1.3
328.98529	1.1
329.02179	1.0
332.98093	100.0
333.98557	6.2
334.99451	2.7
338.19467	1.1
350.99118	13.1
355.99789	1.3
356.20642	12.0
356.96838	2.5
357.12000	1.6
357.20993	3.8
357.25140	1.8
358.14923	9.4
366.57034	0.8
374.97467	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	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.82391	1.8
54.26398	1.7
55.01870	13.7
58.29528	2.3
65.03956	3.2
67.05495	1.9
69.03445	2.0
69.10548	12.9
69.10949	3.5
70.06592	2.0
79.05470	2.6
81.07081	4.6
91.05493	6.2
93.03414	2.5
94.04204	4.7
95.04961	2.7
103.05460	5.2
105.07041	3.8
107.04948	3.7
109.06532	4.1
111.04448	4.3
114.84169	1.8
115.05445	6.0
117.03357	2.2
119.04913	2.4
121.06529	3.5
122.03630	11.9
122.09650	4.0
123.04402	3.2
125.06025	3.4
131.04953	4.5
133.06502	5.2
137.05978	82.2
138.06323	3.1
138.12729	2.5
141.07002	2.1
143.04936	4.0
145.02826	2.7
145.06523	3.0
146.03656	2.1
147.04388	3.7
149.05975	4.6
150.09207	2.3
151.03908	4.2
153.05455	4.9
153.17369	2.1
160.05194	3.6
160.73697	2.0
161.05966	16.9
162.06680	2.0
165.05461	17.6
165.06795	3.3
175.07565	7.1
177.05493	8.8
178.07721	2.9
179.07082	2.4
179.08580	3.7
185.06053	2.3
187.07555	3.0
189.07031	7.5
190.07793	6.4
191.07071	2.7
191.08543	9.3
203.06921	9.7
205.06540	5.9
205.13484	2.6
206.07314	2.6
206.14186	2.5
207.08070	4.4
208.08868	5.3
215.06975	9.4
217.06526	2.5
218.07269	11.9
219.08037	18.6
220.08667	4.4
221.05948	2.1
225.09027	2.2
229.06636	3.8
230.07095	2.5
233.09718	2.2
233.16249	2.5
234.06726	8.6
235.07449	11.4
236.08354	6.5
237.08913	2.6
245.05919	3.6
246.06648	14.0
247.07570	19.3
248.08211	3.8
249.09105	9.2
250.09840	2.2
251.07050	3.1
251.10574	4.5
252.07785	2.3
253.08621	2.1
257.05902	2.7
261.09186	18.2
262.06158	4.5
262.09625	2.3
263.07068	8.1
264.07770	11.2
265.08575	6.1
267.10083	5.0
274.06219	7.5
275.07068	8.3
276.07703	2.3
277.08545	15.5
278.09296	6.3
279.06799	3.2
279.10159	12.0
284.12946	2.3
288.15970	6.1
289.08597	31.6
290.09177	4.5
291.06604	2.9
292.07413	3.4
293.08005	2.8
294.08865	7.4
295.09683	4.3
306.08926	6.8
307.09637	46.0
308.10141	4.0
309.11160	11.1
310.11517	2.0
311.12820	2.0
314.59882	2.1
321.11249	39.4
327.12247	24.6
339.12262	27.9
340.12390	3.2
357.13293	9.4
357.21753	100.0
358.16373	9.1
358.20688	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	357.1488
Annotation	Communin A
Peak:m/z	Relative Intensity
52.49931	0.5
71.45759	0.5
73.54585	0.5
80.39888	0.5
81.07054	0.5
102.34104	0.5
114.71899	0.5
119.08479	0.5
121.06429	0.5
132.50078	0.5
134.97534	0.5
134.99622	0.5
137.05936	0.8
219.07994	0.6
223.07590	2.4
237.09132	2.0
249.09148	0.6
265.08624	5.7
266.09381	96.4
267.09702	6.0
295.21130	0.5
317.36188	0.5
334.89978	0.6
356.27640	4.4
357.14865	100.0
357.28046	1.9
358.15244	10.1
358.20032	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	357.1805
Annotation	11-Hydroxyrankinidine
Peak:m/z	Relative Intensity
55.05515	16.4
55.92450	1.8
56.05857	1.9
57.07078	6.4
67.05497	7.3
67.56513	1.8
69.07071	13.5
70.06588	18.7
71.08621	4.3
72.08144	3.4
79.05502	2.9
81.07053	5.2
83.08611	10.1
88.07631	24.2
93.07067	3.1
95.08609	7.3
97.10178	4.4
102.09122	4.1
106.08664	8.7
106.68655	2.4
109.10161	5.3
121.10153	5.7
135.11717	2.4
186.31955	2.3
247.24408	2.5
265.25189	2.9
338.34161	6.4
339.28976	3.3
339.34821	2.8
340.24814	2.0
352.63678	2.2
356.35254	72.2
357.18036	100.0
357.26614	6.4
357.35556	57.8
358.18353	3.0
358.36716	29.0
383.53088	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	357.2013
Annotation	TMC 96
Peak:m/z	Relative Intensity
50.11131	0.5
56.12669	0.5
56.78954	0.5
70.06553	0.6
70.57378	0.7
70.57699	0.6
77.77831	0.5
77.96956	0.8
80.94823	1.0
81.07039	0.5
84.64892	0.5
104.03545	0.7
116.99281	1.9
129.09102	0.6
131.00941	0.6
173.05492	4.8
215.06528	0.9
245.07629	3.0
246.08429	1.6
274.97467	0.6
339.18832	1.1
357.20114	100.0
358.20496	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	357.2013
Annotation	TMC 96
Peak:m/z	Relative Intensity
50.60312	0.7
62.98259	0.7
66.23441	0.6
69.41666	0.6
70.36761	1.5
80.94865	1.7
84.13338	0.8
98.97564	1.7
114.48197	0.7
116.98568	0.9
146.07637	0.9
162.93904	0.7
211.20413	0.9
281.84232	1.1
295.38715	0.9
339.19241	2.2
342.94049	0.9
352.91373	0.9
357.20123	100.0
358.20367	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90752	0.7
56.96548	0.8
62.98261	0.8
64.82162	0.7
67.50848	0.6
67.65533	0.6
69.03417	0.8
70.01656	1.4
80.84504	0.8
81.07044	0.8
93.52730	0.7
109.10178	0.7
116.99258	1.7
173.05502	3.6
189.05055	0.8
215.06699	1.3
245.07602	3.3
246.08403	1.7
250.34564	0.8
256.26398	1.1
278.07419	1.5
316.16998	0.9
325.14624	0.8
339.18716	0.9
356.34119	1.2
357.20126	100.0
358.20303	7.7
358.33115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.8
55.05259	4.2
55.05512	75.1
57.03438	13.6
57.07074	40.7
64.43947	2.6
67.05163	4.6
67.05508	79.1
68.05812	2.3
69.07072	100.0
70.06605	13.5
70.07390	3.1
71.04983	3.1
71.08630	31.4
79.05496	47.6
81.07056	85.5
83.04994	5.2
83.08627	71.8
84.08991	2.5
85.06567	5.9
85.10178	14.9
88.07645	20.9
91.05486	4.5
93.07049	53.1
95.04959	3.3
95.08027	4.8
95.08610	85.7
95.09217	4.3
96.08928	2.8
97.06530	28.4
97.10175	49.3
98.79253	2.3
99.08072	3.7
99.12597	2.6
102.09197	4.1
105.07039	5.3
106.08657	7.6
107.08585	44.4
109.10165	46.8
111.08102	13.5
111.11729	15.7
113.09696	2.7
119.08578	2.8
121.10153	83.4
122.10547	2.7
123.11697	18.9
125.09625	9.2
125.13285	3.7
126.53571	2.2
135.11693	69.5
137.13254	10.6
139.11214	5.5
149.13254	34.9
151.14841	13.0
153.12755	5.4
161.10260	2.4
163.14796	11.5
165.16431	11.2
167.14276	4.1
174.11304	2.8
177.16338	9.0
179.17995	3.4
181.15891	3.2
191.17995	6.8
214.21638	2.3
215.68663	2.3
221.15222	2.6
247.24237	77.0
248.24654	4.7
265.25253	81.9
266.25644	6.2
283.26328	8.2
339.28922	63.6
339.34637	5.9
340.29309	5.4
340.35690	3.4
357.30759	4.3
357.35568	85.7
358.36780	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77444	0.4
55.01896	0.5
55.05518	0.5
57.03436	0.5
67.05479	0.8
69.03423	1.7
69.07067	0.5
70.06596	1.5
71.04968	0.6
71.45934	0.5
72.08176	0.4
73.02911	1.6
73.06558	6.3
80.05036	1.2
81.07065	1.1
83.04991	1.2
84.08176	0.6
85.02911	3.4
86.09727	1.1
89.06034	5.7
94.06544	0.6
95.04963	0.8
96.08116	0.5
97.02897	0.8
97.06553	0.8
98.06084	0.9
99.04436	0.8
99.08099	0.5
111.08096	0.7
113.06035	1.2
115.07557	0.4
116.07085	1.1
116.08359	1.2
117.09133	6.2
122.09663	0.8
123.08083	2.0
125.09650	0.8
127.03924	0.7
133.08643	2.7
146.03702	0.5
149.05768	0.7
150.09154	1.7
152.10797	0.8
162.07619	1.0
168.10172	0.6
178.12227	0.6
179.03450	0.7
179.12790	17.5
182.11707	1.1
188.06842	13.4
193.08424	0.7
234.14896	1.3
248.16199	0.5
260.12625	2.1
264.63498	0.5
289.53284	0.5
290.45609	0.6
296.16135	3.2
298.19849	0.5
300.18054	0.9
314.17432	1.1
318.17065	3.4
319.93454	0.5
326.19513	0.7
340.15018	9.8
340.21295	1.9
358.16254	100.0
358.21942	13.4
359.12866	1.5
359.16708	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	358.2008
Annotation	Pro Glu Ile
Peak:m/z	Relative Intensity
50.18783	0.3
54.23822	0.2
54.49855	0.3
55.01866	0.3
57.07058	0.3
59.57921	0.2
67.05481	0.5
68.05003	0.3
69.03432	1.5
71.34416	0.2
74.11324	0.3
76.72417	0.3
79.05486	0.8
80.05025	0.4
81.07053	0.8
81.95863	0.3
86.06055	0.5
86.09691	0.6
91.05464	1.7
93.07039	1.1
94.06583	0.4
95.04958	0.5
96.08125	2.4
97.06503	0.5
100.11275	0.4
105.07022	1.1
107.04961	0.3
107.08613	0.6
109.06535	0.6
110.09672	0.3
112.23283	0.3
112.30778	0.3
117.06985	0.3
118.06499	0.3
119.08570	1.0
120.08093	1.0
121.06502	0.9
121.10157	0.3
122.09673	0.4
124.11214	0.3
125.02343	1.7
125.06006	0.8
126.03764	0.3
126.09155	0.3
126.12667	0.2
126.65653	0.3
128.06177	0.3
128.10707	1.0
129.06989	0.3
130.06441	0.4
131.08568	0.5
133.10123	0.3
134.09583	0.4
135.04411	0.9
135.08035	0.4
136.11211	1.5
137.05992	0.4
138.11746	0.6
138.12784	9.1
143.08566	0.7
147.06905	0.4
147.08038	1.0
147.11699	0.3
148.07565	0.8
148.08754	0.4
153.05479	0.5
154.12256	0.4
155.08514	0.3
159.08084	0.7
160.11221	0.6
161.09633	0.3
162.09171	1.3
162.12822	1.0
163.09947	0.3
164.10605	0.4
174.12811	0.7
175.07555	1.1
176.14378	2.1
186.12744	0.4
190.12354	0.4
199.11218	0.6
202.15883	0.3
203.07097	2.0
203.16666	0.3
204.13835	11.3
205.14365	1.4
206.15424	0.4
215.07025	0.4
217.08662	0.5
227.10583	0.7
230.09396	0.3
231.10251	0.5
233.08134	0.7
243.10190	2.1
245.11757	6.2
246.11987	0.4
260.16467	1.4
306.03983	0.3
311.16364	0.5
313.12094	0.8
330.20563	0.8
340.19073	0.5
358.20114	100.0
359.20532	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	358.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51737	0.1
53.03946	0.2
53.75238	0.1
55.01861	0.3
55.05510	0.2
56.05031	0.2
57.07078	0.2
57.47216	0.2
67.05497	0.5
68.05021	0.5
69.03430	2.2
69.07083	0.3
71.44956	0.2
79.05502	1.4
80.05015	0.5
81.03422	0.2
81.05785	0.2
81.07053	0.7
82.06580	0.5
83.05007	0.3
86.06068	0.4
91.05499	1.6
93.07047	1.4
94.06565	0.3
95.04971	0.8
96.08129	3.0
97.02889	0.5
97.06525	0.6
98.09743	0.3
100.11265	0.6
105.04480	0.2
105.07013	1.0
106.03196	0.2
106.06544	0.5
107.04948	0.2
107.08648	0.8
108.08103	0.3
109.02900	0.2
109.06531	0.5
111.04441	0.2
115.05465	0.2
117.07001	0.4
118.06541	0.3
119.07300	0.2
119.08591	1.3
120.08119	1.6
121.06501	1.8
121.10145	0.4
122.09650	0.5
123.04465	0.3
124.11238	0.3
125.02365	2.1
125.06023	1.1
126.09212	0.2
128.06186	0.3
128.10748	1.4
129.07016	0.8
130.06476	0.3
131.07283	0.2
131.08560	0.5
133.05292	0.2
133.06479	0.4
133.08887	0.2
133.10109	0.3
134.06001	0.4
134.09657	0.6
135.04433	0.9
135.06812	0.2
135.07991	0.3
136.11226	2.1
137.05945	0.3
138.12787	9.6
139.13142	0.2
142.07768	0.2
143.08592	0.4
145.06490	0.4
145.10168	0.2
146.05974	0.2
146.09641	0.2
147.06789	0.7
147.08055	1.2
148.07567	1.1
148.08824	0.8
148.11127	0.2
149.06015	0.4
152.10760	0.2
153.05516	0.8
154.12251	0.2
156.09349	0.2
157.06560	0.2
157.10167	0.3
159.08095	0.5
160.05206	0.3
160.11209	0.3
161.05983	0.3
161.08357	0.3
161.09631	0.4
162.09154	1.4
162.12802	2.1
162.91771	0.2
163.07484	0.2
164.10735	0.6
164.14420	0.3
166.12288	0.2
171.08157	0.2
171.11673	0.3
172.11192	0.2
173.09650	0.2
174.12779	0.5
175.07513	1.1
175.11246	0.4
176.10756	0.3
176.14349	3.0
177.05460	0.3
177.09225	0.3
185.09627	0.4
186.12778	0.6
187.11298	0.3
188.14351	0.2
189.09193	0.2
190.12326	0.5
191.07004	0.2
195.06528	0.3
199.11217	0.7
203.07045	2.6
204.13844	20.8
205.14412	2.0
206.15317	0.6
206.19211	0.2
209.09622	0.3
215.07010	0.2
215.10619	0.2
217.08577	0.5
218.15475	0.2
219.10150	0.4
227.10609	0.4
230.09416	0.3
231.10201	0.4
232.16953	0.4
233.08173	0.6
234.18463	0.4
243.10139	2.6
245.11745	7.0
246.12117	0.6
255.10194	0.7
260.16422	1.8
295.91153	0.2
311.16650	0.2
328.13028	0.2
328.19534	0.3
330.20560	0.9
340.19141	0.7
358.20132	100.0
359.20499	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	358.2012
Annotation	Nalbuphine
Peak:m/z	Relative Intensity
55.01876	0.4
55.05508	0.5
57.03428	0.2
67.05486	0.6
69.03429	1.7
69.07069	1.9
70.18792	0.6
71.05000	0.4
79.05490	1.4
80.05024	0.3
81.03421	0.3
81.07047	1.4
84.77192	0.3
85.02920	0.3
86.09722	0.5
91.05484	1.3
93.07036	1.7
94.06570	0.3
95.04977	0.7
95.08612	0.6
96.08135	2.2
97.02901	0.7
97.06540	0.5
98.09698	0.2
98.23486	0.3
99.08091	0.3
100.11288	0.4
105.07026	1.4
107.04942	0.5
107.08611	1.1
107.50055	0.2
108.08127	0.2
109.02918	0.4
109.06547	0.5
109.10143	0.4
111.04436	0.4
111.08090	0.7
116.10761	0.3
117.07020	0.5
119.08599	1.5
120.08091	0.5
121.06511	0.8
121.10154	0.6
123.11727	0.3
125.02360	0.6
125.05993	0.5
127.04000	0.4
128.10732	0.7
129.07007	0.8
131.04926	0.3
131.08580	1.0
131.15576	0.2
133.06566	0.4
133.10147	0.4
134.09612	0.2
135.04437	0.8
135.08031	0.7
136.11227	1.0
137.05997	0.9
138.12784	5.9
138.13840	0.4
139.11272	0.3
142.07747	0.2
143.08554	0.8
145.06480	0.3
147.08070	0.9
147.11749	0.3
148.11180	0.3
149.05994	0.2
149.09595	0.4
153.05431	0.5
156.09334	0.4
157.10175	0.3
159.08054	0.5
159.11768	0.4
160.05150	0.3
161.09621	0.6
161.13199	0.3
162.09143	0.5
163.07574	0.2
163.09886	0.3
163.11180	0.4
164.10632	0.5
168.82614	0.2
169.12279	0.3
171.08109	0.4
171.11711	0.4
175.07597	1.5
176.14346	1.6
177.05518	0.7
177.09129	0.3
184.09019	0.2
185.09647	0.3
187.07692	0.3
187.11208	0.3
190.12245	0.3
191.07027	0.3
199.11185	0.6
201.12958	0.3
203.07042	1.1
204.13881	1.9
205.14618	0.7
206.15402	0.4
206.19029	0.2
209.09650	0.4
215.10756	0.3
217.08618	0.7
229.07288	0.5
230.09425	0.3
231.10197	0.7
233.08124	0.9
234.18585	0.6
237.14926	0.3
240.07742	0.4
243.10156	3.4
244.10315	0.4
244.13077	0.3
245.11726	7.0
246.12172	0.3
255.10121	1.3
260.16431	0.3
268.09671	0.6
282.11612	0.3
298.10718	0.5
311.16470	0.3
325.17096	0.3
328.19025	0.4
330.20660	1.3
340.19077	1.0
343.17871	0.5
358.20120	100.0
359.20508	8.8
364.17090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2013
Annotation	Hetidine
Peak:m/z	Relative Intensity
55.01869	0.4
56.05013	0.2
57.03416	0.3
58.81440	0.2
69.03420	0.4
69.23381	1.3
70.06570	0.3
79.05460	0.3
80.04990	0.4
81.07059	0.3
91.05442	0.3
93.07023	0.2
95.04943	0.3
100.74438	0.2
105.06998	0.4
106.06536	0.2
117.07024	0.3
120.08104	0.3
121.06560	0.2
122.09598	0.2
122.21955	0.2
125.05933	0.2
131.08586	0.3
132.08057	0.2
134.09566	0.2
135.08090	0.4
139.38170	0.2
146.09599	0.4
147.07922	0.3
148.11205	0.3
150.09138	0.4
157.10172	0.3
158.09576	0.5
159.07999	0.4
160.07584	0.6
160.11235	0.3
162.09125	0.3
170.09622	0.4
172.11243	0.4
173.09653	0.2
174.09131	3.5
174.12709	1.1
175.09944	1.7
176.10623	0.4
184.11214	1.1
185.09669	0.4
186.09166	0.3
186.12669	0.7
187.09819	0.3
188.10692	1.0
196.11263	0.4
198.09111	0.5
198.12798	2.5
200.10695	0.8
201.11458	0.4
202.12268	11.1
203.13022	4.7
204.13484	0.3
210.12816	0.3
212.10646	0.4
212.14436	0.2
214.12337	1.3
224.14444	0.3
226.12218	1.3
227.12993	0.3
228.13817	2.4
229.14502	0.3
230.11853	1.3
231.12361	0.2
233.72585	0.2
238.12335	0.5
240.13812	1.3
241.14539	0.8
252.13914	0.4
256.16946	0.3
257.17563	0.3
258.14951	0.4
260.16440	0.3
266.15414	0.6
270.14792	0.3
272.16635	0.3
273.13635	2.3
273.16470	0.3
274.17972	0.7
282.14886	1.2
284.16409	3.6
285.16855	0.2
286.14359	4.7
287.14993	0.7
294.18396	0.3
296.16473	0.7
297.17191	0.5
298.17627	0.3
300.15939	8.2
301.16705	31.4
302.17453	17.0
303.17801	1.1
310.14389	0.3
312.15933	1.0
312.19565	0.9
314.17731	0.2
315.18274	1.2
316.19012	0.7
322.17972	0.4
324.16135	0.6
325.16586	0.5
329.16061	0.5
330.17023	0.8
330.20560	0.9
340.19058	25.7
341.19360	2.2
343.17841	0.3
358.16345	5.5
358.20111	100.0
359.16742	0.4
359.20468	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	358.2015
Annotation	Protostephanine
Peak:m/z	Relative Intensity
53.76786	0.4
57.03440	0.4
69.13455	1.8
70.70826	0.3
88.18499	0.3
91.05436	0.4
103.50508	0.3
109.06497	0.3
120.08030	0.3
135.08070	0.4
136.05287	0.5
137.05995	1.5
138.06285	0.4
145.10092	0.4
150.06784	0.7
150.09105	0.3
151.03894	1.2
151.07451	0.5
155.08797	0.3
159.07965	0.5
160.07610	0.6
170.09726	0.4
172.11212	0.4
173.70084	0.3
174.09140	3.5
174.12828	1.0
175.09923	2.2
175.11319	0.3
184.11276	1.0
185.09698	0.5
186.12920	0.4
188.10756	0.8
198.12782	1.9
199.13171	0.5
200.10704	0.7
201.11484	0.5
201.18080	0.4
202.12277	11.3
203.13007	3.9
213.11340	0.4
214.12259	1.0
219.10158	0.6
222.12807	0.5
224.22810	0.3
226.12265	1.0
228.13832	2.0
230.11844	1.0
230.81903	0.4
238.12383	0.5
240.13844	0.9
241.14706	0.6
242.15508	0.5
252.13803	0.4
256.17075	0.5
266.15363	0.6
272.16470	0.4
273.13547	2.3
274.18048	0.7
282.14832	1.0
284.16458	3.5
286.14386	5.2
296.16354	0.5
300.15921	7.5
301.16711	30.9
302.17468	15.7
303.17923	0.8
312.15936	1.3
312.19617	1.1
315.18259	0.9
316.19113	0.6
324.15814	0.8
325.16861	0.6
329.15921	0.5
330.16916	0.9
330.20401	0.7
340.19080	25.2
341.19424	2.5
350.32111	0.4
358.20126	100.0
359.20477	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	358.2015
Annotation	Hetidine
Peak:m/z	Relative Intensity
56.05033	0.9
57.03413	0.6
58.99578	1.0
65.03927	0.7
66.96227	0.6
67.05508	1.2
69.03414	0.6
70.06591	20.1
71.46544	0.6
79.05479	1.4
86.09720	0.9
87.60677	0.5
88.02203	1.0
88.03976	0.6
91.05477	22.5
93.07045	11.6
95.04945	1.4
95.08589	1.2
105.07030	17.8
106.04173	0.9
107.04976	2.0
107.08596	0.7
109.06512	7.2
110.06028	0.8
117.07025	1.0
119.06058	4.9
119.08577	1.1
120.08140	0.9
121.06507	75.7
122.06811	2.8
122.09617	0.7
131.08565	1.9
135.08067	11.6
135.10403	0.8
137.05986	1.7
143.08571	1.5
145.06374	0.6
147.08037	3.4
149.09560	1.1
150.09111	1.2
155.08578	0.8
159.08066	2.1
159.11627	0.5
161.09604	3.1
162.09146	2.4
163.07620	0.9
163.09909	4.9
165.09238	0.5
171.08018	1.1
173.09593	2.7
174.09137	2.1
174.10449	0.9
175.09814	0.6
176.10747	1.0
177.07834	2.2
177.09207	0.6
178.04578	0.6
178.08582	0.7
179.08551	1.8
187.11221	1.3
188.10687	2.0
189.09138	2.9
191.09398	2.0
191.12997	1.1
192.09387	0.7
192.13307	0.6
193.10146	0.8
194.10820	0.6
195.08119	1.1
195.11653	0.7
197.09601	1.1
202.12274	2.1
203.12939	0.9
207.11653	0.7
208.08720	0.6
209.09610	1.7
209.13332	0.9
210.10382	1.1
211.11179	0.7
218.11711	1.1
219.12309	1.4
220.09641	0.6
221.09708	0.9
221.13370	0.9
222.10410	2.1
223.11179	1.0
224.12054	1.6
225.09155	0.6
225.12804	2.4
225.80576	0.6
229.12178	0.6
235.11290	1.4
237.12720	9.8
238.13391	0.8
239.10794	1.2
239.14290	3.6
247.11208	1.7
248.11925	0.6
251.10677	0.8
251.14302	1.4
252.15073	0.8
253.12274	1.2
253.15991	0.6
254.15422	6.7
260.16449	0.6
262.13571	1.5
265.12216	0.8
266.15512	1.1
267.13498	0.8
267.17456	1.1
269.10034	1.4
271.13406	1.0
277.15970	2.6
278.15475	1.3
280.14728	0.8
283.17068	0.8
294.18375	1.6
295.16910	30.2
296.17163	2.3
297.14853	9.2
298.14975	0.7
300.16086	1.4
301.16663	4.4
302.17361	2.7
312.14349	8.7
312.19562	100.0
313.19913	7.1
323.16333	1.6
340.19055	21.9
341.19324	2.4
358.14835	18.6
358.20093	37.7
359.14841	3.0
359.20145	2.9
376.72672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
55.05471	0.5
56.04996	0.5
57.63939	0.2
58.23750	0.2
63.16752	0.3
67.05465	0.3
69.03391	1.0
69.07018	0.3
69.88523	0.7
70.06547	0.7
79.05449	0.7
80.04990	0.4
81.07017	0.7
82.06557	0.4
83.04950	0.5
84.04456	0.8
84.08090	0.2
91.05459	0.5
93.06998	0.9
94.06522	0.8
95.08553	0.6
96.08072	0.8
97.02054	0.2
97.06516	0.7
98.23379	0.4
108.08094	0.5
109.10123	0.5
110.09684	1.4
111.08032	0.5
113.31311	0.2
119.08525	0.5
120.08041	0.4
122.09726	1.2
124.11233	2.0
125.05987	3.7
125.09597	0.8
130.05000	0.3
134.09648	1.2
135.10419	0.3
136.11208	21.2
137.11621	0.5
146.17432	0.2
148.11224	1.3
149.11971	0.7
150.09094	0.6
150.11931	0.2
150.12784	2.4
150.92032	0.2
151.03836	0.3
152.00266	0.2
152.10677	0.7
153.09052	0.5
160.11191	0.5
162.09067	0.4
162.12773	5.0
163.13376	0.3
164.14287	0.3
174.09041	0.3
174.12761	1.5
175.13496	0.6
176.10579	0.4
176.14270	0.8
178.12173	0.4
180.13766	0.7
180.46062	0.2
182.11699	0.5
184.13177	0.3
185.23752	0.3
188.10690	0.2
192.13799	1.0
197.08040	0.7
198.14833	0.7
202.15784	0.6
204.13824	0.4
210.14926	3.4
211.15280	0.3
216.13876	1.8
220.13261	0.4
220.16925	0.6
222.14767	0.4
230.15332	1.4
234.14899	0.5
240.15868	0.3
248.16452	14.6
249.16924	1.3
253.92004	0.3
258.18420	0.4
262.14221	0.2
266.17499	15.8
267.17819	1.0
276.19577	0.4
286.17780	0.3
294.20575	0.6
304.18930	1.2
322.20126	13.0
323.20441	0.9
340.21167	58.3
341.21466	4.5
358.22214	100.0
359.22552	7.3
359.26743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2226
Annotation	Broussonetine R
Peak:m/z	Relative Intensity
55.01806	2.4
55.05452	1.1
55.05692	0.4
56.04968	0.7
56.55091	0.3
57.03384	0.3
67.05447	0.7
69.03352	1.2
69.07021	0.5
70.06514	1.6
70.52559	0.7
71.04942	0.4
71.50026	0.4
72.08096	0.8
79.05421	0.8
80.04932	0.6
81.06979	1.1
83.04954	0.5
84.04422	2.8
84.08038	0.4
91.05433	0.6
93.06977	0.8
94.06497	0.9
95.08562	0.7
96.08105	0.7
97.06487	0.8
105.06932	0.6
107.08507	0.8
108.08045	0.8
110.09685	2.2
111.08006	0.6
119.08509	0.5
122.09595	0.9
124.11262	2.4
125.05995	2.8
125.09650	2.0
126.09127	0.5
130.05032	1.9
134.09557	1.1
136.11215	16.2
137.05873	0.9
137.11519	0.6
146.09566	0.5
148.11096	0.8
149.11902	1.2
150.09033	0.7
150.12787	2.0
152.10646	0.8
153.08992	1.3
160.11201	0.8
162.09108	0.6
162.12775	3.8
167.60443	0.4
174.12697	1.2
175.13506	0.5
176.14282	0.5
180.13806	0.4
182.11636	0.6
192.13754	1.0
196.13185	0.4
198.14793	0.7
202.12279	0.6
204.13828	0.8
210.14925	3.2
216.13799	2.0
220.16966	0.6
224.16254	0.4
230.15381	0.7
234.15039	0.6
244.73898	0.3
248.16447	13.2
249.16838	1.0
258.18475	0.6
266.17508	12.4
267.17749	0.8
276.19531	0.4
304.18933	0.8
319.01407	0.4
322.20096	11.4
323.20438	1.1
340.21188	51.1
341.21527	4.0
358.22235	100.0
359.22607	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	358.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
55.05504	1.4
56.05030	1.0
60.04509	0.4
67.05500	2.2
68.05034	1.0
69.03424	2.9
69.07071	0.9
69.38988	1.3
70.06591	16.3
71.04985	3.3
71.06935	0.4
72.08146	3.7
79.05496	1.7
80.04545	0.7
80.05013	10.6
81.07076	2.0
82.06565	0.7
83.04980	0.9
83.06100	0.5
84.04501	4.2
84.08137	2.1
84.62478	0.4
85.02890	0.6
86.09705	7.9
89.06061	0.4
91.05495	1.9
93.07047	1.9
94.06563	12.5
95.04984	0.8
95.07378	0.7
95.08611	2.5
96.08138	1.8
97.06493	0.7
97.60760	0.4
98.06069	1.0
98.22705	0.7
102.05543	0.4
105.07027	2.8
107.08591	2.0
108.08112	1.4
109.06566	0.6
109.10137	0.8
110.09657	0.6
111.08086	0.4
112.07636	0.6
112.28935	0.4
116.07100	2.8
117.07025	0.6
119.08601	1.4
122.09664	19.2
123.04420	0.7
124.07614	0.7
124.11221	2.5
125.05993	1.7
125.09654	1.3
128.07071	0.7
129.10245	0.7
130.05014	2.1
131.08601	0.6
131.49141	0.4
132.08099	1.0
132.10217	0.7
133.08575	0.5
134.09647	1.1
135.08041	0.4
135.53117	0.4
136.07596	0.5
136.11206	6.2
143.11787	0.9
144.08047	0.5
145.02768	0.4
145.10126	0.8
146.09631	0.7
148.11185	0.9
149.12018	0.6
150.09137	35.9
150.12801	1.0
151.09473	1.4
152.10687	6.7
153.09108	1.2
160.11205	1.0
162.09160	0.7
162.12732	2.1
163.03909	1.8
164.04254	1.4
164.10732	0.9
165.04372	1.1
165.09082	0.4
166.04686	0.9
168.10185	13.5
170.11766	0.8
175.10941	0.6
176.14313	0.7
178.12283	0.5
179.12788	1.4
182.11760	4.2
188.14342	1.1
189.12376	1.7
192.13866	0.5
197.12836	1.1
199.10831	1.5
200.12831	6.3
202.12288	0.5
204.13832	1.0
206.15466	1.5
208.13356	0.9
210.14922	1.7
215.13852	1.0
216.13863	2.4
220.13388	0.7
227.10284	1.4
230.15457	0.5
234.14882	33.9
235.15186	2.4
243.13452	1.4
244.17049	0.6
248.16454	5.6
252.15955	2.6
253.16275	0.5
254.16490	0.8
262.18002	7.2
266.17523	5.1
267.17633	0.5
276.19550	0.6
280.19135	0.7
290.17517	4.3
292.19064	0.6
294.19867	1.7
302.20291	0.4
304.19165	0.8
306.70166	0.4
308.18561	5.8
309.18954	0.6
312.20828	1.2
322.20120	5.3
323.20578	0.9
326.19595	8.7
327.20172	0.9
340.21146	35.7
341.21545	3.2
358.22156	100.0
359.12766	0.6
359.22540	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	358.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05508	3.0
55.26825	1.0
56.05035	1.9
57.03443	1.3
67.05501	2.1
67.17947	1.2
68.05032	3.1
69.03438	8.7
69.07056	2.7
70.06591	12.4
71.04974	5.1
71.44215	1.5
72.08147	3.3
76.03998	2.3
79.05491	3.9
80.05025	2.8
81.07056	3.0
83.04977	3.8
84.04502	17.9
84.08136	2.1
85.02913	2.6
86.09705	7.5
91.05479	2.2
93.07037	2.5
94.06572	3.0
95.04965	1.8
95.08596	1.2
96.08140	1.6
97.06526	1.8
98.06032	1.9
99.04442	9.9
102.05510	1.4
105.07024	3.1
107.08655	2.2
109.06513	2.0
110.09705	1.5
112.07594	4.0
119.08635	2.3
120.08120	2.1
122.09660	3.8
123.04404	1.4
124.11253	2.9
125.06013	3.3
125.09605	11.8
127.08680	1.8
129.10210	1.8
130.04980	9.6
131.08615	1.0
134.09688	1.5
136.11212	13.6
138.09120	7.0
143.11850	1.6
146.06052	2.8
146.09669	1.4
147.06364	1.4
148.06552	1.4
148.07620	1.8
148.11192	1.8
150.12810	2.6
152.10664	1.5
153.09106	7.6
154.12285	2.0
155.08133	1.6
159.09123	1.6
159.34389	1.3
160.00610	1.1
160.07610	2.5
160.11186	1.3
161.08249	1.1
162.12791	4.1
164.10730	1.9
174.12880	1.4
175.13606	1.4
185.13101	0.9
189.12421	1.1
191.07037	2.0
202.12260	5.6
206.15430	1.3
210.14926	2.4
220.13254	5.7
222.14944	1.7
224.16382	2.5
230.11841	1.3
230.15735	1.1
236.16542	1.6
238.18129	1.2
246.14952	1.4
248.16487	10.9
264.16025	4.0
264.19525	5.1
266.17477	9.6
272.16373	2.0
284.13898	1.1
290.17462	11.0
296.18683	2.3
308.18530	2.1
314.19641	9.0
322.20102	13.4
340.21176	81.9
341.21579	7.7
346.33453	1.1
349.64905	1.3
358.22223	100.0
359.22644	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	358.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.1
55.05508	8.2
57.03426	9.3
61.36761	2.8
63.58754	3.0
67.05515	28.3
69.03429	13.6
69.07072	34.8
71.04978	11.2
79.05490	28.2
81.03403	6.8
81.07050	24.1
83.04965	8.5
83.08629	6.2
85.06549	3.5
91.05495	17.8
93.07047	22.0
95.04972	15.4
95.08614	7.9
97.06534	100.0
99.08130	7.5
105.07024	14.6
107.04930	14.4
107.08584	12.6
109.06489	7.5
109.10168	10.6
111.08067	3.6
115.07576	12.8
117.07034	6.0
117.70055	2.8
119.08569	9.2
121.06518	6.1
121.10093	6.9
123.08028	3.2
129.07002	6.3
131.08554	10.7
133.10159	6.7
135.08043	7.5
135.11717	6.8
143.08597	3.5
144.32957	3.2
145.10158	6.1
147.08038	3.2
147.11705	3.9
149.13249	6.2
151.11163	4.0
153.09062	2.9
157.10147	5.4
159.11702	8.4
161.09598	3.2
169.10165	4.2
170.76773	3.2
175.11195	4.2
177.12743	5.8
195.13696	3.4
217.15948	3.5
223.13374	4.3
273.18552	7.2
284.16614	7.1
358.20184	36.1
359.21628	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	358.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	7.6
66.82440	1.5
68.55537	1.4
76.73972	1.5
82.26784	1.4
94.23369	1.5
98.97582	86.0
99.97932	2.0
116.98630	44.3
134.99672	11.6
139.67728	1.5
140.42360	1.7
172.94370	9.0
174.97638	15.4
190.95412	6.1
192.98631	8.3
197.99071	1.7
198.97719	4.9
214.95529	12.2
216.98705	45.7
219.02055	3.5
232.96556	29.2
233.96825	1.8
234.95988	4.7
234.99774	58.4
235.99956	3.5
239.00014	1.4
240.98901	2.4
250.80656	1.8
250.97627	11.9
252.97093	3.3
256.96664	23.9
257.96899	3.3
258.99759	20.5
259.99875	2.7
260.99792	1.6
261.03116	3.1
263.02850	2.9
274.94608	2.5
274.97705	40.3
275.97885	4.6
276.04733	2.5
277.00821	19.5
280.96591	3.1
284.99976	4.0
292.95187	4.9
292.98776	7.8
293.95770	3.5
293.98911	1.8
298.94327	2.3
298.97745	63.4
299.97809	9.1
303.00958	4.8
316.95129	15.2
316.98755	89.5
317.95483	2.0
317.98965	8.3
332.85901	1.8
334.96179	15.4
334.99796	2.9
340.98788	52.3
341.02698	3.2
341.99005	6.1
358.99872	100.0
359.03296	4.2
359.99927	12.4
376.96622	9.0
377.01755	7.2
382.01596	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	359.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
56.96568	100.0
57.03439	1.6
61.31378	0.8
69.03429	4.7
70.06597	6.8
71.43002	1.0
72.08141	1.5
74.97623	1.0
77.82423	0.9
80.28230	0.9
81.03441	1.0
83.40023	0.9
84.08140	2.4
85.02903	11.6
86.09696	5.8
87.33989	0.9
95.04985	1.0
97.02892	5.6
98.97589	12.7
99.04442	0.9
108.08122	4.0
108.99661	1.5
109.02870	1.1
110.97561	1.1
112.08735	1.2
115.03957	1.0
116.98593	5.6
120.54579	0.8
123.06787	2.4
124.99119	3.8
125.77525	0.9
127.00685	9.2
127.03943	7.8
129.10237	1.5
130.93346	1.2
133.38785	0.9
134.06038	1.2
134.99658	1.2
136.07642	1.3
136.99071	10.2
137.05983	6.3
143.00156	8.6
143.87195	1.0
145.01747	6.2
145.04965	7.5
147.04410	2.4
147.11270	2.1
148.07510	1.3
150.09076	1.0
152.07045	3.8
155.00157	46.1
156.96597	3.0
160.07590	2.0
161.01207	6.8
161.07967	1.2
163.05963	1.6
170.99632	2.2
172.94386	2.1
173.01228	75.6
174.01602	1.4
174.97653	18.6
175.00879	1.8
175.11859	1.5
175.97786	1.1
178.08649	4.0
179.02310	1.1
179.06964	1.3
179.09023	1.7
182.98152	1.0
189.00729	6.9
190.95323	1.2
191.02274	42.9
192.98750	10.1
196.09715	12.4
197.10100	6.6
198.99150	1.6
200.99202	3.3
207.01819	4.3
208.99808	2.0
209.03343	10.4
217.00243	24.5
219.00267	2.8
227.00774	28.3
228.00957	3.0
228.97040	1.0
232.96567	1.5
235.01294	54.2
236.01833	1.2
240.01654	1.5
243.00381	5.2
244.96484	2.5
245.01813	28.8
246.01917	2.2
253.02109	2.6
256.78867	1.2
261.01379	5.4
262.97455	4.0
263.02899	34.5
263.05704	1.9
264.03238	1.5
269.03403	2.0
270.97656	1.9
271.00159	1.7
271.04929	2.5
273.01321	1.7
274.97336	1.4
277.00562	1.7
280.98102	1.3
286.04477	1.4
287.04379	1.5
289.00751	5.6
291.02426	3.7
293.99887	1.1
297.02844	3.0
298.99344	6.8
312.99039	1.0
313.02402	7.5
315.03720	4.1
317.00375	53.1
318.00711	4.3
331.03311	2.6
335.01779	8.0
341.00262	4.1
358.14850	4.8
358.18777	1.4
359.02206	8.7
359.07074	1.9
359.14798	8.8
359.23416	5.8
360.20294	1.2
377.01233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
56.96568	100.0
57.03439	1.6
61.31378	0.8
69.03429	4.7
70.06597	6.8
71.43002	1.0
72.08141	1.5
74.97623	1.0
77.82423	0.9
80.28230	0.9
81.03441	1.0
83.40023	0.9
84.08140	2.4
85.02903	11.6
86.09696	5.8
87.33989	0.9
95.04985	1.0
97.02892	5.6
98.97589	12.7
99.04442	0.9
108.08122	4.0
108.99661	1.5
109.02870	1.1
110.97561	1.1
112.08735	1.2
115.03957	1.0
116.98593	5.6
120.54579	0.8
123.06787	2.4
124.99119	3.8
125.77525	0.9
127.00685	9.2
127.03943	7.8
129.10237	1.5
130.93346	1.2
133.38785	0.9
134.06038	1.2
134.99658	1.2
136.07642	1.3
136.99071	10.2
137.05983	6.3
143.00156	8.6
143.87195	1.0
145.01747	6.2
145.04965	7.5
147.04410	2.4
147.11270	2.1
148.07510	1.3
150.09076	1.0
152.07045	3.8
155.00157	46.1
156.96597	3.0
160.07590	2.0
161.01207	6.8
161.07967	1.2
163.05963	1.6
170.99632	2.2
172.94386	2.1
173.01228	75.6
174.01602	1.4
174.97653	18.6
175.00879	1.8
175.11859	1.5
175.97786	1.1
178.08649	4.0
179.02310	1.1
179.06964	1.3
179.09023	1.7
182.98152	1.0
189.00729	6.9
190.95323	1.2
191.02274	42.9
192.98750	10.1
196.09715	12.4
197.10100	6.6
198.99150	1.6
200.99202	3.3
207.01819	4.3
208.99808	2.0
209.03343	10.4
217.00243	24.5
219.00267	2.8
227.00774	28.3
228.00957	3.0
228.97040	1.0
232.96567	1.5
235.01294	54.2
236.01833	1.2
240.01654	1.5
243.00381	5.2
244.96484	2.5
245.01813	28.8
246.01917	2.2
253.02109	2.6
256.78867	1.2
261.01379	5.4
262.97455	4.0
263.02899	34.5
263.05704	1.9
264.03238	1.5
269.03403	2.0
270.97656	1.9
271.00159	1.7
271.04929	2.5
273.01321	1.7
274.97336	1.4
277.00562	1.7
280.98102	1.3
286.04477	1.4
287.04379	1.5
289.00751	5.6
291.02426	3.7
293.99887	1.1
297.02844	3.0
298.99344	6.8
312.99039	1.0
313.02402	7.5
315.03720	4.1
317.00375	53.1
318.00711	4.3
331.03311	2.6
335.01779	8.0
341.00262	4.1
358.14850	4.8
358.18777	1.4
359.02206	8.7
359.07074	1.9
359.14798	8.8
359.23416	5.8
360.20294	1.2
377.01233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57331	0.4
51.66829	0.4
55.01870	0.5
55.05526	0.4
56.96549	0.5
60.89437	0.4
61.47436	0.4
69.03419	1.3
70.06598	1.3
71.94518	0.4
72.08157	0.8
74.88995	0.4
77.39258	0.4
80.43585	0.4
81.03413	0.6
83.04980	0.8
84.08147	2.3
85.02911	3.9
86.09698	3.9
89.92693	0.4
91.05451	0.6
92.68159	0.4
95.04968	0.9
95.08601	0.4
97.02895	1.7
98.06033	0.4
98.97583	0.5
109.02921	0.8
111.04432	0.7
117.27343	0.4
124.11215	0.5
127.03937	2.1
129.10260	1.9
135.04430	0.7
139.03882	0.8
145.04982	2.3
157.70401	0.4
160.98219	0.7
163.03922	1.6
163.06136	0.5
166.08611	0.4
167.08218	0.6
179.03412	1.4
179.06770	0.9
180.03778	1.3
181.04965	2.5
182.11748	0.5
185.04262	0.7
197.07832	6.2
199.18047	0.6
203.05309	0.9
227.17628	0.7
242.03270	0.5
243.02539	0.9
257.08780	0.5
282.12433	1.2
300.13330	1.0
312.19162	0.4
340.21075	0.5
342.22772	0.5
358.22446	1.0
359.13129	100.0
359.17322	5.4
359.22684	2.9
360.13422	5.2
360.17877	4.5
360.23892	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96795	0.6
69.07075	0.6
69.45351	2.7
74.74477	0.7
85.02934	0.9
86.09705	11.1
90.52003	0.7
91.70972	0.6
98.23469	1.0
101.00889	0.7
119.01929	0.6
126.03739	7.0
137.05974	0.9
142.48827	0.6
145.03418	1.1
149.02327	1.4
149.20268	0.7
154.03200	4.1
161.02936	0.8
163.03909	1.5
167.27074	0.7
172.04282	1.9
173.61328	0.7
175.79309	0.7
194.06802	0.7
197.01178	1.1
200.03772	6.6
200.13818	0.6
228.03140	1.6
245.09958	2.0
248.16493	0.6
267.11639	1.2
313.12164	10.1
314.12463	1.2
340.21182	0.8
341.11688	0.7
341.21487	2.3
345.12915	2.7
359.13110	100.0
360.13531	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	359.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.4
69.03426	0.4
69.61996	1.3
74.10639	0.4
83.06089	0.9
85.02897	1.6
86.03552	0.9
86.09695	0.7
94.38002	0.3
95.06091	1.1
97.02878	0.5
97.12035	0.3
104.04981	0.5
105.03397	0.6
105.05798	1.9
106.06580	0.6
111.05568	4.4
112.68881	0.3
120.04490	2.8
123.05556	0.9
125.05847	0.5
125.24832	0.3
126.06616	2.5
127.03918	1.0
130.06506	0.8
131.04973	0.6
132.04454	25.6
133.04857	1.1
134.06010	4.5
137.04652	0.6
137.06004	0.4
140.08209	0.4
145.04970	0.8
146.02330	0.4
147.11134	0.4
150.05566	0.4
151.06160	10.3
158.05960	0.7
162.14690	0.3
164.07071	2.2
165.07707	0.7
166.07190	0.5
174.07965	0.4
177.04083	0.5
194.06732	5.0
195.07477	1.3
202.09724	1.5
203.08069	0.3
208.08458	0.5
216.11324	0.9
217.09799	1.3
227.09219	0.6
228.13602	0.4
230.09200	1.7
232.10777	0.8
242.09239	5.2
245.09258	0.9
246.12416	0.8
255.08792	0.4
257.10358	5.5
258.08597	0.8
259.11923	12.3
260.12360	0.8
274.12927	0.6
284.11411	9.0
285.11829	0.5
302.12479	14.3
303.12738	0.8
327.11905	3.6
327.15268	0.4
328.12518	0.4
345.13049	100.0
346.13354	7.6
359.14563	2.4
360.21844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.03937	0.8
55.01870	2.6
59.81497	0.5
65.03946	1.2
69.03408	2.0
69.12551	2.0
69.12955	2.0
77.03934	0.8
79.05515	4.4
81.07052	1.7
85.02907	4.7
86.09719	1.6
91.05481	24.1
93.07055	3.4
94.04175	2.8
95.04954	2.4
97.02888	2.4
98.23537	1.4
99.04470	0.9
102.04668	1.2
103.05474	10.5
105.03382	3.9
105.04504	1.0
105.07036	10.4
107.04956	4.4
109.06519	5.6
109.60371	0.6
110.49038	0.6
115.05474	3.3
117.07020	2.3
118.04144	1.0
119.04947	25.0
119.08562	1.6
121.06496	5.8
122.03645	7.5
122.09596	0.8
123.08079	2.0
127.03925	3.1
128.06239	1.2
129.06998	2.1
130.04173	1.2
131.04941	10.4
132.05659	1.5
133.02853	2.2
133.06506	7.2
135.04387	1.3
137.05980	100.0
138.06313	4.3
143.04927	1.6
144.05711	1.7
145.04968	2.6
145.06496	3.1
146.03638	1.0
146.07195	1.3
147.04411	13.2
147.08034	2.6
149.05968	10.3
150.06763	1.6
151.07555	11.3
157.06526	1.6
159.08052	4.4
160.05211	3.0
161.05983	28.1
162.06770	8.9
163.06009	0.7
163.07516	3.3
167.07095	1.3
172.05220	1.6
173.05949	1.5
175.07544	22.8
177.09070	1.2
179.07057	9.3
179.08534	0.7
185.06026	0.8
187.07533	12.8
189.09233	0.9
190.06236	1.1
190.07805	1.6
191.08580	2.8
193.08606	9.1
199.07686	0.8
202.07834	0.9
203.08559	1.9
205.06726	1.1
205.08586	15.0
206.08920	1.1
207.08157	0.9
208.08894	0.8
210.06743	0.9
217.08475	1.5
219.08046	6.0
220.13332	1.3
225.09102	1.0
231.08066	3.2
235.07574	1.0
235.09601	1.4
236.08180	1.1
247.07558	2.8
248.08253	1.6
251.10701	5.5
253.08575	0.8
259.07596	1.4
262.18036	6.9
263.10764	1.5
269.11676	0.8
279.10117	4.6
291.10172	2.7
296.10452	2.1
297.11258	1.1
309.11304	4.3
311.12756	3.9
323.12762	1.4
329.13797	0.8
341.14084	1.6
359.20615	1.0
360.17953	4.9
360.21790	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	359.2168
Annotation	Bengamide E
Peak:m/z	Relative Intensity
69.03440	1.5
79.62666	0.5
81.07041	0.7
85.02901	4.4
89.03626	0.6
93.07047	0.8
97.02888	2.0
97.49795	0.6
127.03967	3.3
133.46080	0.6
137.05997	0.8
145.04921	3.3
151.03679	0.6
152.65710	0.6
163.05922	1.0
193.26486	0.6
251.36021	0.7
260.22421	0.6
279.23141	0.8
295.22617	0.8
297.24173	1.0
341.20679	12.6
342.20886	1.7
347.15961	0.6
359.12640	5.1
359.21671	100.0
360.21991	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	360.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03424	0.6
65.03938	2.4
65.76392	0.4
67.01205	0.4
67.05493	0.6
69.03418	2.8
70.06577	0.7
70.56338	0.5
71.44861	0.5
73.02933	0.5
74.99920	0.5
79.05522	0.6
81.07045	0.8
85.02905	7.8
87.04457	4.4
91.05482	41.9
92.05817	1.2
93.07045	13.3
95.04986	1.2
95.08604	1.4
97.02894	2.7
104.99272	0.6
106.04189	1.4
107.04972	2.7
109.06526	10.5
119.06062	7.6
121.06506	100.0
122.06814	3.6
127.03919	5.7
135.08051	0.7
145.04950	5.2
163.06052	1.5
166.03232	1.0
178.03278	0.6
179.04053	0.8
180.04820	1.5
194.02692	2.8
203.05293	1.1
207.03549	2.0
208.04279	1.4
220.04347	1.6
223.10056	0.9
224.03032	0.7
229.06894	1.8
234.99734	0.6
239.05885	1.7
241.05515	1.3
251.09442	0.6
256.07834	5.7
267.07169	0.6
271.12048	0.7
275.20392	0.5
280.04205	0.5
282.09515	2.3
284.07413	6.8
285.05856	1.8
286.06543	2.8
295.06595	0.8
300.28931	1.4
302.08517	1.2
310.08856	4.1
328.07019	0.4
328.10001	20.4
329.10342	1.7
360.12640	23.3
360.16852	0.9
360.21799	2.3
360.26166	1.0
360.30884	5.3
361.13171	1.9
361.19736	0.7
383.29376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70347	0.3
53.27184	0.3
55.01866	0.8
56.61446	0.3
57.03420	1.0
62.07433	0.3
67.05492	0.7
68.99783	1.3
69.03397	0.9
69.47639	1.4
69.47999	0.5
70.06596	4.2
72.08150	0.8
73.12169	0.4
79.05502	0.8
81.07021	0.9
83.01310	0.6
84.08144	0.4
84.71046	0.3
85.02890	1.4
86.09702	0.8
91.05465	1.8
93.07041	0.7
95.04945	0.9
95.08601	0.7
97.02878	0.5
98.23412	0.3
99.14989	0.3
105.03360	0.5
105.07013	0.8
107.04935	0.8
107.08585	0.9
107.95153	0.3
115.03883	0.4
115.05444	0.5
117.07021	2.8
119.04923	2.2
121.06485	2.6
123.04427	17.1
124.04757	0.5
127.03904	0.9
129.01744	0.3
133.06223	0.3
135.04417	1.5
135.08032	3.2
136.07518	1.7
137.05956	1.4
137.37270	0.3
145.04976	0.9
145.06483	2.1
146.24142	0.4
147.04408	6.7
147.08054	0.5
148.05093	0.4
149.05960	2.2
150.06085	0.3
151.03845	1.8
157.06496	0.5
161.05966	1.2
163.03896	1.5
163.07529	11.6
163.08882	0.7
164.07968	0.5
165.05481	3.5
167.07043	0.7
173.05997	5.6
175.07559	0.8
176.04591	0.6
177.05498	0.6
179.07024	4.5
185.05965	0.8
187.07593	0.3
188.07076	0.3
190.08617	9.4
191.07024	51.2
192.07330	3.0
203.07051	2.5
207.06432	0.4
208.09679	100.0
209.10030	5.3
218.14447	0.3
220.09660	2.1
244.19862	0.3
299.09131	0.4
305.61301	0.4
325.10657	4.4
326.11111	0.6
342.13263	4.0
343.11554	2.2
352.78967	0.3
360.14392	35.6
360.21710	2.0
361.14682	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40693	0.5
54.72325	0.5
55.01861	0.7
56.04998	0.5
57.03425	0.9
66.45987	0.6
67.05505	0.6
68.99782	1.6
69.03417	1.5
69.94069	1.2
70.06610	2.9
72.08137	1.4
78.18649	0.4
79.05485	1.2
81.07047	1.3
83.01332	1.3
84.04488	1.1
85.02892	2.0
86.09714	3.4
87.10035	0.6
90.05807	0.5
91.05475	1.3
93.07018	0.7
95.04954	2.2
95.08595	0.8
98.22771	0.7
102.05562	0.7
105.07017	0.9
107.04961	0.8
107.08611	1.0
107.12864	0.5
114.47763	0.5
115.05434	0.6
116.07091	0.9
117.07003	2.7
117.95302	0.5
119.04974	2.6
121.06494	3.7
121.42071	0.5
123.04427	19.8
124.04790	0.8
124.11301	0.5
127.03881	0.8
131.04929	0.7
132.10187	0.7
135.04388	2.0
135.08043	3.0
136.07574	3.2
136.08463	0.5
137.05942	1.5
138.10748	0.5
145.06483	2.9
147.04384	7.1
148.05095	0.4
149.05969	2.7
151.03902	1.4
157.06541	0.7
161.06000	1.7
162.05441	0.7
163.03914	1.1
163.07529	14.3
165.05461	5.3
173.06007	7.0
175.07625	1.2
176.04674	0.9
179.07077	5.1
185.05994	0.7
185.16479	0.6
190.07039	0.4
190.08620	13.9
191.07028	60.3
192.07358	3.2
203.07072	2.3
208.09683	100.0
209.10031	4.7
220.09676	1.9
325.10712	4.9
342.13434	3.3
343.11569	3.2
360.14380	33.0
361.14978	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	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34433	1.2
51.37982	1.2
55.01871	10.1
56.96586	6.6
56.96864	1.5
57.03436	10.0
61.02924	4.5
63.66628	1.1
69.03429	37.2
69.45644	2.5
69.46011	4.5
71.04986	3.1
73.02923	6.1
81.03425	3.6
85.02906	100.0
87.04474	1.9
91.03954	1.6
97.02897	34.9
99.04439	7.3
101.02400	8.1
108.01283	1.5
109.02905	5.9
115.03944	3.2
121.06829	1.5
121.13638	1.5
127.03918	78.0
128.04285	2.4
129.80794	1.4
139.03943	1.5
145.04956	69.1
155.00186	5.9
162.87202	1.3
163.06021	21.1
173.01237	11.9
180.08704	5.0
191.02255	6.5
201.00664	1.5
219.01752	4.2
235.01215	1.8
237.02765	3.5
274.72549	1.4
299.04321	3.7
328.66626	1.4
343.03378	2.6
361.10919	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	360.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38061	1.3
51.49927	1.3
52.44704	1.2
53.03952	1.3
53.92356	1.3
55.01861	3.6
57.03429	4.6
61.02933	2.0
69.03426	19.6
70.06597	2.0
71.04985	2.0
73.02906	2.9
81.03434	1.7
84.08144	1.9
85.02904	50.3
85.03418	2.5
86.09706	2.8
91.58469	1.3
97.02896	21.2
97.06509	1.4
99.04456	4.8
101.02361	1.9
103.05461	37.7
105.64481	1.2
109.02885	4.4
110.18619	1.3
127.03918	37.9
131.04922	100.0
132.05289	3.9
145.04948	37.8
163.06038	9.2
163.07553	42.1
164.07825	2.1
177.72871	1.3
180.08731	3.7
236.16527	2.2
258.06918	1.3
258.14691	7.8
274.44458	1.4
298.17749	53.0
299.18149	4.2
342.16959	3.7
360.17816	75.6
360.23053	6.7
361.18146	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	360.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05519	0.6
56.05028	2.3
57.03430	1.0
67.05489	2.8
68.05044	0.9
69.03425	3.9
69.32392	2.7
70.06584	1.7
71.04994	4.7
73.27213	0.6
76.13484	0.6
79.05486	2.1
80.05020	27.2
81.07062	1.1
84.04533	0.8
84.08141	1.1
85.02905	7.7
86.09703	1.7
91.05476	1.2
93.07050	2.3
94.06559	2.1
95.04971	20.1
95.07340	0.7
95.08601	4.0
96.08136	2.9
97.02895	3.2
98.06052	3.0
98.23367	1.4
99.04459	1.8
105.07030	1.7
106.06544	0.8
107.08569	0.7
108.08109	1.0
109.06519	1.8
110.05978	0.8
110.07162	1.0
111.08115	0.7
113.05988	4.5
119.08623	0.9
120.08102	5.1
121.06482	0.9
122.06016	0.8
122.09713	0.9
123.04413	2.9
123.08089	1.0
127.03931	7.0
131.08498	0.7
131.99309	0.6
133.10178	0.8
138.09138	18.6
141.05466	2.6
144.06636	0.7
145.04936	6.3
148.07597	8.4
149.05931	0.8
155.07097	0.8
156.10204	8.6
159.11681	0.7
162.09082	0.8
163.06070	1.2
164.10698	1.5
166.08640	5.6
175.11148	0.6
184.09705	15.9
184.11258	1.2
190.12305	1.2
192.13855	1.0
202.10727	13.3
204.13689	0.8
208.13347	4.4
220.13342	2.9
234.14902	2.0
236.16463	5.0
238.14389	2.1
250.17992	2.0
252.16066	0.6
256.15546	0.8
260.16452	1.7
278.17496	22.3
279.17865	1.7
288.15866	0.9
296.18539	10.9
306.17053	0.7
314.19760	2.3
324.18076	5.4
342.19113	20.2
343.19675	1.1
360.20157	100.0
361.20422	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.2
55.01842	0.8
55.05480	0.3
57.03396	0.4
58.06575	0.5
64.07719	0.2
67.05504	2.1
69.03429	2.0
69.35056	0.8
70.06561	0.5
79.05473	0.5
80.05002	1.1
81.07014	0.6
82.06548	0.7
83.01336	0.4
83.04958	0.6
84.08114	0.5
85.02905	3.5
85.18685	0.2
91.05463	1.2
93.06548	0.2
93.07043	2.4
94.06563	2.1
95.04942	0.3
95.08611	1.9
96.08097	0.8
97.02843	0.9
97.06496	0.5
98.22753	0.4
99.04433	0.3
101.02328	0.2
102.67950	0.2
105.06978	0.4
106.06516	0.4
107.07322	0.3
107.08548	0.4
108.08125	2.9
109.08847	0.2
110.09587	0.3
111.08076	0.5
117.07024	1.4
119.08518	0.3
120.08111	2.7
121.08815	0.3
122.09666	11.8
124.11242	0.5
125.05930	0.4
127.03920	2.2
132.08080	1.9
133.08859	0.3
133.10062	0.5
134.09665	1.5
135.04373	0.3
135.08022	0.4
136.07574	1.1
136.11133	0.4
137.05927	0.4
138.12772	0.3
144.08107	1.0
145.04973	1.7
146.09647	10.6
147.10278	0.6
148.11188	1.9
150.09154	3.3
150.12775	1.1
157.10057	0.2
160.07545	0.3
160.11182	0.4
162.12776	0.5
163.06033	0.5
168.10210	1.4
174.12772	3.5
176.10703	1.3
176.14328	0.9
181.08501	0.3
182.11720	0.3
184.11282	0.3
184.13277	1.0
188.10661	0.7
188.14293	0.6
190.15807	0.3
192.13838	1.6
194.11761	2.8
202.12267	4.3
203.12656	0.3
206.11768	3.7
220.13319	17.8
221.13660	1.2
234.14758	0.3
234.18524	1.7
244.17087	0.2
248.16460	0.5
260.16284	0.3
262.18015	100.0
263.15573	0.4
263.18359	6.7
302.17383	0.4
314.21335	0.4
342.17026	0.2
360.17972	5.7
360.21729	49.5
361.18185	0.6
361.22055	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	360.2169
Annotation	Comosivine
Peak:m/z	Relative Intensity
53.03940	0.4
54.09827	0.3
55.01844	1.1
55.63974	0.3
57.03405	0.6
64.86329	0.4
67.05494	1.9
69.03432	3.6
69.21526	1.5
69.21958	0.6
70.06564	0.7
71.04979	0.4
79.05463	0.5
80.04987	1.6
81.03421	0.5
81.07013	1.2
82.06555	0.9
85.02902	5.7
91.05431	0.9
93.07043	2.4
94.06567	2.3
95.08602	2.6
96.08103	0.5
97.02895	2.5
97.06490	0.8
101.02350	0.5
105.07037	0.7
107.08519	0.6
108.08100	2.6
108.81573	0.4
111.08027	0.5
118.06477	0.4
120.08114	2.6
122.08820	0.8
122.09663	11.9
124.11248	0.4
125.05949	0.7
127.03890	4.9
132.08032	1.9
133.10042	0.4
134.09628	1.5
136.07561	2.8
137.08311	0.4
144.08011	0.8
145.04973	4.3
146.08577	0.6
146.09639	9.8
147.10318	0.5
148.11194	0.9
150.09138	3.2
150.12799	0.6
160.07593	0.4
161.08368	0.6
163.05995	0.8
168.10165	1.5
169.30135	0.4
174.12767	3.7
175.13448	0.5
176.10649	1.4
176.14371	0.4
178.58336	0.4
184.13228	0.5
188.10641	0.6
188.14294	0.9
192.13771	1.8
194.11794	2.5
202.12265	4.6
203.12419	0.4
206.11804	3.7
208.13298	0.6
220.13316	17.7
221.13722	1.2
234.18513	1.7
262.18011	100.0
263.18362	5.6
300.15735	0.6
314.21179	1.3
315.21494	0.5
342.20682	0.5
360.18231	3.4
360.21686	61.2
361.18372	0.4
361.22055	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	360.2172
Annotation	Comosivine
Peak:m/z	Relative Intensity
53.03946	0.2
55.01869	0.3
55.05497	0.3
56.05030	0.2
57.03436	0.2
63.10549	0.1
67.05495	0.4
68.05032	0.2
69.03427	4.8
69.07044	0.2
70.06594	0.9
71.04980	0.4
72.07842	0.1
72.08163	1.3
74.22604	0.1
79.05479	0.7
80.05021	1.4
81.03407	0.4
81.07055	4.8
82.04193	0.1
82.06581	0.6
83.04989	0.2
84.04528	0.2
84.08156	0.6
85.02898	1.1
85.06522	0.3
86.06122	0.1
86.09708	0.3
87.04472	0.3
91.05480	0.7
93.07042	0.5
94.06551	0.7
95.04962	1.1
95.08602	1.1
96.05708	0.3
96.08126	0.7
97.02882	0.9
97.06535	0.5
97.08938	0.1
99.04424	0.2
102.05536	0.2
105.07024	0.8
106.06564	0.2
107.08591	3.2
108.08120	0.5
108.08876	0.2
109.02883	0.2
109.06513	3.0
110.09675	1.1
111.04391	0.2
111.08073	1.4
115.03921	0.5
116.07110	0.1
117.07022	0.2
119.08589	0.7
120.08118	0.4
121.06496	0.2
121.10152	0.1
122.07323	0.2
122.09651	1.3
123.04404	0.2
123.08056	1.1
124.07714	0.1
124.07896	0.1
124.08848	1.9
124.11211	0.8
125.09618	0.4
127.03915	0.7
131.08574	0.2
133.04932	0.1
133.06464	0.1
133.10129	0.2
134.09662	0.5
135.04395	0.2
135.08043	1.1
135.10429	0.1
136.11240	0.6
137.05972	23.0
138.06320	0.7
138.09163	0.2
140.10693	0.5
145.04980	0.6
145.06470	0.1
146.07240	0.1
146.09639	0.5
147.07999	0.2
147.10451	0.2
147.11646	0.3
148.11201	0.8
149.09645	0.1
150.09137	0.4
150.12775	0.4
151.07581	0.1
152.10709	0.6
153.09090	0.2
153.11365	0.1
154.12270	2.0
157.10147	0.2
162.12761	0.5
163.03915	1.0
163.07507	0.3
164.14336	0.6
166.12311	0.5
168.10220	0.2
174.12761	0.3
175.11147	0.7
176.14372	0.3
178.12234	0.2
178.15898	0.4
180.13837	0.2
181.04938	0.5
182.11778	1.0
186.12689	0.2
188.14259	0.2
190.15965	0.2
191.12805	0.1
191.76201	0.1
192.13829	0.8
192.17480	2.4
193.12270	0.2
201.12422	0.2
202.10442	0.1
202.12311	0.2
203.10696	0.3
204.13876	0.4
206.15401	11.9
207.15659	0.6
216.17458	0.1
219.10181	0.2
220.17006	0.5
221.11719	7.6
222.12067	0.5
229.11835	0.5
232.13324	0.1
232.17097	0.1
234.18520	6.3
235.18962	0.5
243.13412	0.2
248.16470	0.5
252.15979	0.2
262.10696	0.1
262.18027	3.1
263.18344	0.3
300.15872	0.2
302.17392	0.5
309.70087	0.1
332.22165	0.3
342.20786	0.5
360.21661	100.0
361.22015	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	360.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.05489	0.7
58.67339	0.3
58.89488	0.2
67.05505	2.6
69.03444	1.5
69.07023	0.2
71.04979	0.4
71.46750	0.3
75.91125	0.2
79.05476	1.0
80.04993	1.0
81.07050	1.4
82.06548	0.8
83.04945	0.5
83.08595	0.4
85.02916	0.6
91.03461	0.3
91.05486	1.6
93.07036	2.5
94.06573	2.5
94.54160	0.3
95.07301	0.3
95.08606	2.1
95.09102	0.4
96.08092	0.6
97.02888	0.4
97.06495	0.7
100.07648	0.4
103.47540	0.3
105.07009	1.0
106.55341	0.3
107.08593	0.4
108.08100	3.1
109.06471	0.6
111.08041	0.8
117.06995	0.5
118.06525	0.6
119.08550	0.7
120.08097	2.4
121.06524	0.6
122.09668	10.8
123.09924	0.5
124.11176	0.5
125.06012	0.4
131.08542	0.4
132.08086	1.9
133.10081	0.6
134.09633	1.3
135.08026	0.3
135.10400	0.3
136.07547	1.1
136.11211	0.5
137.05991	1.9
138.06215	0.4
144.08057	0.9
145.10135	0.6
146.09641	10.6
147.10393	0.8
148.04874	0.3
148.11201	1.3
150.09138	2.7
150.12776	1.2
152.10684	0.4
154.12335	0.3
160.07599	0.4
160.22331	0.3
162.09117	0.3
162.12749	0.5
168.10197	1.9
171.11620	0.3
174.12764	3.9
175.11214	0.3
175.13280	0.3
176.10641	0.6
176.14325	1.0
184.11217	0.3
188.14378	0.9
190.15865	0.3
192.13910	1.9
194.11789	3.2
202.12274	5.2
203.12622	0.4
206.11781	3.5
220.13319	16.2
221.13708	1.2
234.18611	1.6
248.16504	0.5
262.18015	100.0
263.18359	6.8
314.21078	0.4
342.20425	0.5
360.18231	2.2
360.21686	55.2
361.22083	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	360.2172
Annotation	Comosivine
Peak:m/z	Relative Intensity
55.01883	0.1
55.05513	0.6
57.07067	0.3
67.05515	0.9
68.05030	0.2
69.03065	0.2
69.03436	4.6
69.07063	0.6
70.06602	0.4
76.99257	0.2
79.05497	2.8
80.05022	0.5
81.07062	4.8
82.06577	0.7
82.07366	0.3
83.07366	6.1
84.08157	0.2
85.02910	0.2
85.06525	0.2
86.06087	0.7
89.03790	0.2
91.05484	0.8
93.05795	0.4
93.07066	1.2
94.06586	0.9
94.07816	1.0
95.04971	0.5
95.08611	0.6
96.08121	1.0
97.02908	1.5
97.06509	0.4
98.06051	0.5
98.09666	0.3
98.22589	0.2
105.07050	1.0
106.06566	0.5
107.04977	0.2
107.07398	0.2
107.08595	0.6
108.08113	0.7
109.06528	2.2
109.10178	0.3
109.13174	0.1
110.09709	0.2
111.04450	0.3
111.08088	0.2
114.05532	0.4
117.07050	0.3
118.06567	0.2
119.08614	0.4
120.08113	1.6
121.06489	0.4
121.10144	0.2
122.07282	0.2
122.09691	0.8
123.08091	0.5
123.10421	0.2
124.11287	1.1
125.12015	0.5
126.12817	0.2
131.08609	0.6
133.06470	0.2
133.10129	0.4
134.09642	0.7
135.08093	0.4
136.07660	0.2
136.11234	1.9
137.05986	9.5
137.09621	0.7
138.06320	0.3
138.12793	0.8
140.07080	0.5
143.08577	0.3
144.08034	0.3
145.10139	0.7
146.09668	0.5
147.08095	0.3
147.11656	0.2
148.07558	0.4
148.11179	0.4
149.09627	0.5
150.09145	0.3
152.10695	1.2
153.09041	0.2
154.12299	0.9
159.08073	0.7
159.11659	0.2
160.11224	0.7
161.09624	0.8
161.13197	0.2
162.09229	0.8
162.12790	3.8
163.13394	0.2
164.07072	0.3
164.14357	0.6
166.08743	0.2
170.11769	2.6
172.11269	0.2
173.09604	0.2
174.12823	0.6
175.07623	0.2
176.10655	0.2
176.14334	1.3
178.08643	0.4
178.15933	0.2
181.08598	0.3
182.11839	0.3
186.12749	0.2
187.13498	0.4
188.10735	0.3
188.14386	0.3
190.12309	0.3
190.15891	0.4
192.13829	0.3
193.10904	0.2
201.12814	0.4
202.12318	0.3
202.16032	0.2
204.13831	1.5
204.17421	0.2
205.14503	0.3
206.11775	2.8
206.15390	0.3
207.12221	0.2
208.13313	1.1
214.15852	0.3
216.17526	0.3
218.19029	0.8
219.19815	0.4
220.13342	1.3
221.11684	0.4
221.13831	0.2
226.15912	0.6
227.16312	0.2
230.15359	0.3
233.11748	0.2
234.14954	0.9
234.18513	0.2
244.17001	1.6
245.17659	0.3
247.13313	4.9
248.13547	0.2
248.16452	0.5
250.18054	1.6
262.18024	3.1
263.18765	1.3
286.14343	0.2
313.17935	0.7
316.22662	0.4
332.22168	0.9
342.20697	3.4
343.20993	0.3
360.21692	100.0
361.22021	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	360.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06951	15.2
55.05502	36.1
59.78211	14.5
60.04534	24.6
60.91344	15.5
67.05502	68.8
67.82942	16.0
69.07066	70.0
70.06585	19.9
71.05000	80.0
79.05497	71.8
80.03158	14.8
81.07037	38.0
81.09165	14.0
83.08597	19.7
91.05468	36.0
93.07043	86.5
95.08596	32.4
97.06516	25.9
97.10170	28.7
104.99266	44.5
105.07018	32.2
107.08601	50.3
109.10154	53.6
120.96624	14.7
121.10160	83.0
125.09658	42.7
151.03879	86.1
151.04982	19.5
152.04214	66.5
153.12733	56.7
173.11774	100.0
180.97728	14.5
189.11215	25.4
189.48973	16.3
208.01241	16.1
275.20090	43.7
278.95505	23.4
338.10898	14.7
347.82327	17.7
360.21411	35.6
360.30905	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.5
55.05519	29.0
57.03443	11.8
64.71386	4.0
67.05514	60.2
69.03442	45.5
69.07071	35.6
69.14448	30.0
70.75471	4.0
71.05000	69.6
73.06538	7.1
79.05499	57.2
81.07053	57.5
83.08622	17.6
85.02908	100.0
85.06581	4.4
91.05469	29.1
93.07043	72.7
95.04979	7.3
95.08614	42.8
95.20790	4.3
97.02894	30.0
97.06541	12.5
97.10183	14.0
99.04471	13.0
99.08118	4.8
104.99261	10.2
105.07031	24.7
107.08591	44.1
109.02889	6.1
109.06529	5.8
109.10160	36.5
111.08064	6.8
113.09657	6.9
117.07034	9.4
119.08583	13.1
121.06522	8.6
121.10143	52.1
125.09622	15.7
127.03924	82.4
131.08607	5.6
133.10136	16.8
135.08119	5.8
135.11702	10.8
137.06000	8.3
145.04953	66.2
145.10136	5.6
147.11697	12.1
149.09651	8.7
149.13240	7.3
153.12766	25.8
155.10690	12.0
159.11725	8.3
161.13141	5.5
163.06039	15.3
171.10184	5.5
173.11745	66.9
189.11182	21.0
195.13858	9.8
206.87065	5.3
213.14948	8.8
218.11797	6.6
220.13400	6.4
227.16451	10.8
235.16862	11.0
257.18903	6.4
262.18008	7.8
267.19754	5.7
271.47675	4.4
275.20053	43.6
298.17877	5.1
302.16711	5.3
307.22537	7.2
316.15448	12.4
345.28345	4.6
360.17877	9.2
360.21640	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28948	3.5
54.22038	3.6
55.01859	6.0
55.05505	35.4
58.76430	3.6
59.04998	5.0
67.05505	61.3
69.03421	6.0
69.07059	33.4
69.92692	7.3
69.93034	9.1
71.04996	77.2
73.06573	7.8
79.05494	72.3
81.07051	44.9
83.04967	4.9
83.08624	21.2
87.68974	4.4
91.05468	21.8
93.07040	70.0
95.04949	4.2
95.08600	30.6
97.06532	15.5
97.10184	29.9
105.07043	18.8
107.08598	58.9
109.10161	61.6
111.08073	5.0
119.08585	14.4
121.10136	65.4
123.08096	4.9
123.11705	5.9
125.09650	21.3
126.24129	4.0
131.08615	6.6
133.10164	13.4
137.09651	4.2
145.10092	8.9
147.11671	6.9
149.09561	9.3
153.12737	49.0
155.10643	15.0
159.97247	4.0
161.13304	5.6
163.11212	4.7
173.11732	100.0
173.13211	4.9
174.12054	6.1
181.12148	4.3
189.09576	5.8
189.11154	32.9
227.16359	6.4
257.19049	8.0
268.42719	4.1
275.20038	64.3
278.95474	5.9
319.96118	3.9
360.21475	15.5
360.25369	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	85.3
55.83817	2.2
57.07061	2.6
67.05486	4.1
69.03418	3.3
69.07085	2.5
70.55674	4.9
79.05486	4.0
81.03410	12.9
81.07060	4.8
83.04979	4.2
83.08627	100.0
84.08937	3.4
85.02890	2.4
91.05503	4.1
93.07036	4.6
94.54179	2.2
95.04965	6.4
95.08604	5.3
97.10209	2.3
104.99221	2.6
105.07026	3.1
107.08601	4.5
109.10162	2.6
111.08060	2.7
119.08583	4.7
121.10117	3.3
127.03850	2.9
131.08546	4.5
133.10127	3.9
135.11618	3.0
147.11775	3.1
149.09677	2.5
157.10085	2.4
163.35454	2.4
175.11317	2.9
193.12209	12.0
211.13298	35.3
212.13765	2.4
223.13397	4.1
228.44893	2.1
251.16487	3.6
275.20184	3.1
293.21286	13.5
360.21808	7.2
360.34589	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07641	1.8
55.01871	2.2
56.96566	16.7
57.03434	2.0
62.48969	1.5
65.75644	1.6
67.05489	4.4
67.58552	1.7
67.60458	1.7
69.03435	6.9
70.06594	3.7
70.79755	2.6
71.04987	2.4
72.08150	4.5
74.71462	1.7
79.05499	2.9
81.03423	3.1
81.07089	1.8
83.04984	2.5
84.96037	9.9
85.02936	9.6
85.06519	4.5
86.09721	2.6
91.05467	3.3
93.07047	2.9
95.05006	2.0
95.08598	3.3
97.02866	2.7
98.97582	69.5
107.08623	2.2
109.02890	1.9
110.97569	17.9
112.99104	4.5
115.03947	2.2
116.98625	23.1
123.04458	8.8
125.09643	3.1
127.03899	5.3
128.27094	1.9
128.98628	12.7
131.00179	3.9
135.04369	2.0
137.05963	17.1
137.58804	1.9
140.98572	6.3
143.00171	9.7
144.98137	3.4
145.04974	3.6
146.99661	3.1
152.98575	7.2
153.09201	1.8
155.00197	2.4
158.99664	11.1
161.01251	3.4
163.03894	6.2
164.04300	9.5
164.05443	2.3
165.05513	11.4
170.99670	6.7
173.01250	3.3
177.00697	4.7
181.04947	4.2
182.05319	4.6
183.06465	10.0
183.10094	3.7
189.00690	3.2
201.00677	4.4
219.01772	22.9
234.08755	1.8
237.02829	31.1
265.05945	13.3
275.07944	14.6
293.09052	100.0
294.09332	4.1
311.10202	15.9
317.08994	6.5
335.10150	21.5
353.57477	2.2
360.21838	2.3
361.08832	58.9
361.14053	5.5
361.17627	8.3
361.21893	4.8
362.08875	4.9
362.19421	10.9
362.23416	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	361.1106
Annotation	PD 169316
Peak:m/z	Relative Intensity
50.70849	0.4
52.13163	0.5
63.35950	0.4
69.43823	1.5
73.73835	0.4
98.22711	0.8
107.88113	0.4
115.45808	0.4
121.64101	0.4
126.49456	0.4
151.03851	0.4
247.07971	5.8
265.07791	0.8
299.07440	0.6
361.11053	100.0
362.11322	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	361.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16658	0.3
64.27623	0.2
69.03442	0.6
70.57207	0.3
72.89832	0.3
74.67916	0.3
84.08145	0.4
85.02892	0.9
85.45164	0.3
86.09699	0.3
97.02893	0.5
98.98457	0.5
127.03960	0.7
128.04277	0.5
129.55754	0.3
131.36441	0.3
132.04434	0.3
144.44385	0.3
145.03488	0.4
145.04994	0.5
151.03973	0.3
154.99780	0.3
155.01912	0.3
157.03531	0.3
173.02979	0.3
181.04959	0.4
197.54008	0.4
239.81467	0.3
247.07997	5.6
265.07849	1.4
283.27618	0.3
299.07501	0.7
361.11044	100.0
362.11328	4.6
384.69144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43782	0.2
69.60658	0.9
70.06587	0.4
74.00661	0.2
84.04491	0.3
84.08111	0.2
98.06021	0.2
98.22697	0.2
100.51205	0.2
120.01196	0.6
147.04410	0.7
153.06876	0.2
165.06920	0.3
173.34013	0.3
181.06487	0.8
182.07240	0.3
183.07988	0.3
194.07303	0.7
197.04176	0.5
197.05946	4.2
198.06659	0.6
199.07632	1.2
201.09126	0.6
211.07500	2.2
212.08308	13.2
213.08644	0.7
214.04353	0.3
214.06322	0.5
225.03503	0.3
225.05450	3.6
226.05872	0.3
227.06938	0.7
229.08568	2.3
230.03975	0.9
239.07002	1.3
240.07802	8.4
241.03140	1.9
241.08481	1.3
242.03964	8.7
242.09291	2.7
243.04340	0.7
243.09642	0.2
245.06317	3.6
255.04550	0.5
258.03433	0.7
263.18237	0.5
273.05780	100.0
274.06091	5.8
299.07202	0.5
361.22440	0.4
362.10559	1.5
362.19241	0.8
362.23514	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	362.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89734	0.1
62.71600	0.2
66.17545	0.2
74.00649	0.4
80.71021	0.2
84.33182	0.2
91.99872	0.2
94.88787	0.2
98.23530	0.3
120.01159	0.6
127.24046	0.2
141.53848	0.2
142.43324	0.2
168.05708	0.5
169.06511	1.0
181.06483	0.3
182.07182	0.2
183.08031	1.1
187.07561	0.6
197.05971	4.2
198.06505	0.2
199.07591	0.2
201.09180	0.4
202.04446	0.5
205.08418	0.3
211.07527	3.9
211.09569	0.2
212.08311	15.2
213.03667	2.9
213.08545	0.9
214.04204	0.3
214.06316	0.3
224.02838	0.4
225.05447	2.4
226.05814	0.2
227.07034	0.9
229.08600	3.0
230.03981	1.0
239.06975	1.7
240.07802	13.1
240.49985	0.2
241.03198	1.5
241.08441	1.8
242.03717	0.2
242.09406	2.7
243.09726	0.4
245.06311	8.5
246.06729	0.5
255.04726	0.5
256.05582	1.4
273.05783	100.0
274.06088	6.5
274.08405	0.1
299.07245	0.3
362.10583	1.0
362.23239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1599
Annotation	(+)-Galwesine
Peak:m/z	Relative Intensity
55.05522	1.9
60.05431	1.0
62.69866	1.0
66.04723	1.3
67.05498	5.0
69.03432	2.8
69.67684	4.3
70.06595	41.4
71.04981	4.8
77.03955	1.2
79.05487	4.3
81.07029	3.4
83.01337	3.6
83.04994	2.0
85.02888	1.3
87.25876	1.0
91.05484	5.0
93.07008	1.1
94.04208	1.8
95.04973	4.9
95.08620	1.2
95.79337	1.1
96.04469	1.0
97.93407	1.0
98.22756	2.0
99.04470	8.3
104.11517	1.2
105.03391	4.0
105.07029	2.7
107.04954	1.1
109.06516	9.9
110.06055	1.5
111.04437	4.6
111.08082	5.9
113.02356	3.4
114.05534	2.6
117.06996	2.3
120.08109	2.0
121.06502	2.4
122.03622	2.3
122.05939	1.3
123.04432	2.6
123.08025	1.2
126.05498	1.7
127.03899	6.1
129.05501	2.1
129.06940	2.3
131.08524	2.1
135.04413	2.7
135.08035	2.0
136.07582	7.7
137.05983	70.1
138.06303	1.5
145.06491	3.1
146.09654	2.8
147.07988	1.8
148.07568	3.6
149.05939	1.3
150.09146	9.1
151.03957	8.0
151.06343	1.3
151.09831	1.7
152.10703	2.2
155.03407	22.1
155.07043	13.7
159.08049	2.1
160.55736	1.1
161.09657	5.9
162.09158	3.1
163.09898	1.3
163.11116	1.3
164.07103	6.0
164.10744	1.2
165.05493	8.7
165.09142	1.4
173.05960	3.7
173.09680	1.3
174.06773	3.9
174.09143	4.4
175.07573	2.0
176.10677	2.7
177.05428	8.5
177.09131	2.1
178.08586	6.7
178.12300	3.9
179.09438	14.7
180.08690	2.5
180.10205	34.5
181.10480	1.4
183.06526	30.6
186.09067	1.4
188.10655	1.9
189.09119	6.7
190.08606	5.1
190.10081	1.7
191.06880	1.3
191.09343	1.5
192.10167	2.4
197.08339	1.5
198.09009	1.1
199.07494	1.3
200.10762	1.7
201.05420	2.2
202.08653	3.0
203.09363	3.2
204.10156	1.3
205.08589	5.2
206.11769	11.4
210.09187	3.0
211.09886	1.4
212.10594	2.2
214.08636	4.3
214.12230	1.5
215.06892	1.4
216.10242	1.7
217.08578	2.8
224.07059	1.3
224.10657	1.6
226.08839	1.3
226.12337	3.2
232.09631	3.0
233.08145	7.9
234.11183	1.4
237.11223	4.1
239.09441	1.5
242.11731	1.5
245.08179	1.8
246.11140	1.4
247.09619	5.5
248.12759	1.5
249.11237	4.8
252.10172	2.9
253.10985	1.4
254.11774	8.1
258.14914	2.0
260.12744	2.3
261.07608	11.0
265.10770	1.9
270.11194	3.8
271.11737	1.3
273.09943	1.7
274.11169	1.6
274.14374	2.9
275.11465	2.9
284.12778	2.1
286.14301	8.3
291.19446	1.8
293.10205	9.9
302.13834	11.9
312.12247	5.7
330.13348	40.8
331.13596	2.2
334.16455	4.6
344.14972	3.6
362.15979	100.0
362.23364	3.5
363.02411	1.1
363.16455	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	362.16
Annotation	(+)-Galwesine
Peak:m/z	Relative Intensity
53.03944	1.4
55.01878	1.1
55.05506	2.3
63.91562	0.8
67.05497	3.5
68.05051	1.0
69.03419	1.5
70.06601	5.7
71.05001	0.8
71.18908	1.0
79.05492	2.9
80.42151	0.7
81.07061	1.2
83.01346	3.2
83.04971	1.4
85.06541	6.6
91.05472	3.1
93.07056	3.6
95.04959	1.5
95.08611	6.1
96.04495	6.8
97.06521	1.1
99.04454	3.3
105.07065	1.6
107.04987	1.4
108.04469	0.8
109.06526	1.2
110.02398	4.3
113.06023	1.5
115.05434	0.7
117.06983	1.2
118.06577	0.9
119.05007	0.9
119.08566	1.2
120.08129	0.9
121.10130	0.9
125.09586	0.7
127.03930	1.4
128.06212	1.8
129.06989	2.0
131.08572	1.7
134.06064	1.1
134.09650	1.1
137.05975	1.3
138.05618	0.8
139.07614	0.7
141.05429	1.7
141.06967	1.9
142.07823	1.2
143.08562	1.5
145.06471	0.9
145.10147	1.5
146.05984	1.8
148.07593	2.4
148.11163	1.4
149.05943	1.6
153.05557	1.0
155.03372	19.6
155.07033	1.7
157.36142	0.8
158.07272	1.2
159.08095	2.7
160.07574	1.4
160.08841	1.7
165.05481	0.9
167.07227	1.1
168.07990	1.3
169.04974	4.5
169.08858	0.9
170.09645	1.2
172.07651	0.8
173.09602	2.7
173.89188	0.9
174.09096	2.4
176.08360	0.9
176.10736	2.9
178.08667	3.7
181.08714	1.2
182.09639	1.3
183.06616	2.1
184.07578	0.8
186.06708	1.1
186.09166	1.0
187.07545	1.4
187.11356	0.9
191.10768	0.8
192.10275	0.8
196.07547	6.1
196.11230	1.0
197.08342	3.2
198.09116	4.1
198.12863	0.9
200.10751	1.3
201.09077	1.7
202.08611	1.2
208.11266	0.8
208.13347	0.9
210.09172	4.2
211.09975	3.0
212.10622	1.7
213.07672	1.0
214.06477	1.3
214.08609	11.4
215.07037	0.9
215.08986	1.1
217.08751	0.7
219.10175	2.0
221.08270	1.5
222.08978	0.9
224.07037	3.0
224.10747	2.9
226.08734	5.5
226.12169	4.8
228.10176	2.2
229.08670	3.8
236.10686	2.8
238.08623	2.7
239.09433	3.5
245.13989	1.0
247.09648	13.4
252.10194	5.8
253.10968	3.6
254.11769	27.4
255.12199	2.2
256.09702	1.0
256.13461	1.0
260.09189	1.6
268.13370	2.6
269.10455	1.1
270.11203	2.4
271.12033	2.1
272.09332	0.9
274.10852	1.2
284.12784	1.8
286.14307	2.0
297.09924	1.2
302.13962	1.5
312.12317	13.8
313.12643	1.2
330.13354	30.2
331.13757	2.6
332.14819	0.9
362.15973	100.0
362.26834	1.7
363.16260	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	362.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73232	0.5
69.03316	0.7
69.24749	3.1
70.06445	0.5
71.10368	0.5
84.04388	0.6
84.08018	0.7
84.08456	0.5
85.02737	1.2
85.03187	0.6
86.09569	0.9
96.44753	0.5
98.23463	0.8
105.06847	0.9
110.07002	1.3
123.06052	0.5
123.49371	0.6
133.06282	1.5
136.11072	0.9
137.05750	3.9
162.07394	0.8
162.12634	0.6
165.08884	0.8
174.12581	0.7
183.10010	0.9
206.15239	0.7
224.16339	0.8
228.13545	0.6
236.16487	4.1
246.14589	0.6
246.30734	0.5
248.14088	0.8
248.16451	11.8
249.16653	0.7
255.95381	0.6
258.14578	4.4
266.17386	1.3
270.14520	2.1
300.19022	1.4
318.20596	2.5
322.20129	0.9
326.17245	16.9
327.17590	1.3
344.18307	100.0
345.18625	10.8
362.19403	33.8
362.23352	5.9
363.19727	3.4
363.23700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2329
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
52.15394	0.3
55.05516	1.2
59.79922	0.3
61.70578	0.3
67.05489	0.8
67.44314	0.2
68.05032	2.5
69.03427	3.9
69.07075	0.8
69.95612	0.5
70.06599	1.6
71.05003	2.0
79.05494	1.1
80.05012	0.6
81.03417	0.4
81.06621	0.4
81.07061	4.3
81.07516	0.5
82.06583	0.4
83.04978	0.6
83.07366	0.5
84.08147	1.4
85.02917	1.2
86.06060	0.3
91.05487	2.2
93.07066	1.0
94.06586	0.5
95.04961	0.7
95.08644	1.1
96.05748	0.3
96.08131	0.9
97.02912	0.9
97.06541	0.3
98.09718	0.3
99.04458	0.6
100.07607	0.4
105.07034	0.6
107.08610	2.5
108.08134	0.4
109.06511	2.1
109.10152	0.3
110.09694	0.3
111.08088	2.1
112.07631	0.8
115.03941	0.3
117.07019	0.4
119.08563	0.7
120.08124	0.6
121.06516	0.4
122.09653	1.2
123.08083	1.2
124.08868	1.9
124.11236	1.9
125.09716	0.3
126.09144	0.3
126.12815	0.3
127.03924	0.8
131.08528	0.5
133.06514	0.2
133.10112	0.3
134.09668	1.1
135.08047	1.2
136.11221	3.2
137.05983	14.7
137.11629	0.3
138.06360	0.6
138.12778	0.8
139.07547	0.7
140.10716	1.7
145.04987	0.4
145.10222	0.4
146.09622	0.4
147.08183	0.3
148.11162	0.3
149.09608	0.3
150.09047	0.3
152.10704	0.4
154.12277	10.2
155.12639	0.4
156.13838	1.6
159.08043	0.6
159.11617	0.2
162.12814	0.4
164.14378	1.8
166.12332	0.2
166.15909	1.2
172.11180	0.3
173.06081	0.3
174.12827	0.5
175.11137	0.5
176.14388	0.6
177.09189	0.2
178.12259	0.4
188.14380	0.3
190.12242	0.4
190.15932	0.4
192.13840	0.8
194.15427	1.1
199.09933	0.4
203.10690	0.3
206.15436	0.6
208.16962	4.5
218.19057	0.7
221.11740	5.6
228.17603	0.3
234.18523	0.3
236.16464	1.0
236.20126	2.6
246.18587	0.8
250.14352	0.4
264.19604	17.7
265.19852	1.2
276.15936	0.4
289.25858	0.3
290.17535	2.2
298.10815	0.9
300.12082	0.4
303.17856	0.5
316.11728	0.4
326.10312	1.1
344.11279	0.8
344.18686	0.3
344.22101	1.4
362.23270	100.0
363.23648	7.5
363.27298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01867	4.2
55.05498	11.8
56.05024	3.3
57.07068	11.2
58.06585	3.1
60.04251	3.3
60.04529	52.9
67.05503	15.3
68.05035	3.8
69.07059	14.6
70.02944	8.8
70.06594	23.0
71.05025	2.5
71.08625	6.4
72.04523	11.3
74.06067	2.7
76.43707	2.0
79.05479	6.4
80.05003	7.3
81.07059	19.3
83.04978	3.8
83.08624	9.2
83.56506	2.1
84.04510	4.9
85.02879	3.9
88.07617	7.5
91.05497	12.6
93.07038	8.4
94.93429	2.5
95.04969	10.2
95.08601	21.8
97.06481	2.7
97.10167	5.1
100.04032	2.8
102.05549	30.7
102.09212	4.0
105.07033	4.1
107.08582	7.1
109.06522	4.9
109.10170	11.3
111.08060	5.3
114.05536	2.6
116.07121	2.5
119.08573	5.8
121.10110	5.2
123.11698	3.6
131.23897	2.1
132.10208	6.6
133.10121	8.0
135.11702	2.9
139.12503	2.7
144.06538	6.5
146.11763	6.8
146.98233	2.5
147.11652	4.1
162.07626	5.1
171.86961	2.4
226.11588	2.4
231.21117	9.9
248.23756	6.8
249.22102	33.4
256.26239	14.5
266.24707	13.2
267.23117	7.4
300.28943	37.9
308.25922	12.1
313.61526	2.1
326.26913	27.0
344.27939	26.9
345.28189	3.9
362.19574	5.1
362.23315	6.4
362.32614	100.0
363.12289	3.0
363.21301	26.8
363.32910	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	362.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23822	1.0
54.43454	1.1
55.05513	4.8
55.52640	1.2
57.07073	9.0
67.05504	15.8
69.07081	2.3
69.60522	2.6
69.60909	2.3
70.06598	17.9
71.04996	23.1
71.05350	1.9
71.08652	4.5
79.05502	2.9
81.07053	11.1
81.48579	1.0
83.08646	3.3
88.07634	22.2
91.05507	2.0
93.07099	1.8
95.08605	2.2
97.10178	5.7
98.22747	2.2
99.08097	1.9
102.09188	9.0
107.08635	1.9
109.10152	9.1
113.00061	1.5
114.07255	1.3
114.09196	5.4
114.95582	1.3
118.08684	1.4
121.10182	1.7
123.11755	1.4
125.09692	3.5
130.08772	1.3
130.09853	1.1
132.10207	18.7
135.11754	1.3
139.44020	1.3
148.79370	1.2
151.11224	1.6
155.10771	2.6
155.14293	17.2
169.02742	1.5
173.11722	18.8
173.13008	1.6
176.12907	3.7
179.14362	1.5
189.11333	5.4
190.70393	1.2
194.14020	4.2
227.16490	2.1
242.24896	1.3
256.26358	28.1
256.28757	2.1
257.26855	2.1
274.27841	1.6
277.21686	4.9
300.26862	1.5
326.28812	2.1
344.29541	2.6
362.15341	1.3
362.32782	100.0
363.32986	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	363.06
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	35.5
60.14797	0.8
63.16293	0.7
63.40364	0.7
69.41593	1.7
69.41970	2.1
72.96061	0.9
74.70148	0.9
77.63585	0.7
84.96043	3.2
98.97585	52.5
109.00940	0.9
110.97570	2.0
116.98631	11.7
124.99129	0.8
127.00686	3.2
134.99606	1.8
139.00650	2.3
145.01660	1.2
154.73756	0.9
154.98950	0.9
155.00148	36.7
157.01738	4.3
158.99666	26.7
173.01225	100.0
174.01628	1.7
175.02817	7.1
177.00699	15.8
182.99695	2.6
191.02274	65.1
192.02646	1.3
193.03909	1.2
196.02771	0.9
201.00697	13.2
201.04300	0.9
209.03349	2.2
215.02232	1.2
219.01768	51.1
220.02394	0.9
230.15895	1.1
237.02818	20.9
238.03195	1.0
243.05481	1.7
249.02802	1.0
255.03743	0.9
261.02814	2.0
271.04947	5.8
279.03802	1.1
289.06000	2.9
299.04373	32.8
300.04794	2.5
303.07465	4.9
317.05463	18.9
318.05865	0.9
321.08475	6.0
327.03870	7.5
345.04935	61.7
346.05240	4.2
363.05960	13.5
363.09799	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	363.06
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.4
56.96567	27.7
61.86889	0.6
69.22600	3.5
84.96066	1.6
89.43105	0.6
98.97580	3.2
101.00905	3.2
102.01108	0.7
110.97546	2.1
113.00874	1.0
119.01908	2.2
127.00681	3.1
128.98615	0.8
131.01904	2.0
139.00682	2.0
145.03432	0.7
154.98882	1.6
155.00150	33.4
156.00534	0.7
157.01744	4.7
170.99730	0.7
171.05008	1.6
173.01228	100.0
174.01601	3.1
175.02827	6.1
182.99686	2.9
187.04451	1.5
191.02280	49.5
192.02586	1.1
193.03822	1.0
196.02747	0.7
197.02971	1.5
201.00705	12.7
209.03316	2.8
215.02272	4.1
215.03815	3.6
219.01764	34.7
227.04047	1.3
233.03235	1.5
233.05200	1.0
237.02814	17.7
241.05934	0.7
242.03493	0.7
243.03632	6.9
244.03481	0.9
253.03749	0.7
255.03664	0.8
260.36472	0.7
261.02524	7.5
271.04926	5.1
273.04608	2.2
279.03912	2.4
289.05896	2.5
291.03870	1.8
299.04388	31.5
299.07779	1.6
300.04688	1.9
303.05484	1.2
317.05426	16.1
327.03769	8.8
345.04932	54.0
346.05423	3.9
363.05978	14.1
364.06174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.3
61.09098	0.5
69.76413	1.9
84.96019	0.6
98.23483	0.7
98.97582	100.0
99.97892	1.0
108.36485	0.5
110.97562	2.8
116.98621	25.4
124.99110	1.0
127.00678	0.7
128.98613	1.5
131.00183	0.5
134.99638	3.2
141.02196	0.6
143.00177	1.0
155.00148	8.1
157.01764	0.9
158.99654	57.1
159.03284	1.7
159.99942	0.9
161.01257	0.7
167.07057	1.5
170.99655	1.0
173.01222	25.4
174.01579	0.9
175.02817	1.9
177.00705	40.3
178.01047	0.9
183.03311	1.0
189.00694	1.3
191.02277	20.2
193.03792	0.8
195.01749	1.9
201.00650	3.8
201.04356	1.7
207.01788	0.9
209.03349	1.3
211.02129	0.5
215.02309	0.8
219.01768	47.4
220.02138	1.1
231.05354	0.5
237.02792	9.2
243.05431	4.2
249.02887	1.3
261.02744	2.2
267.03867	0.9
271.04996	1.5
278.65048	0.5
279.03848	0.6
289.05905	0.7
292.98276	0.6
299.04367	8.7
303.07507	10.4
317.05408	5.2
319.06329	0.5
321.08557	13.0
321.12332	0.6
322.08865	0.6
327.03949	3.4
342.34390	0.5
345.04916	15.1
346.05276	0.8
346.62509	0.5
363.05798	3.3
363.09680	11.3
363.16269	0.6
364.09702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53792	16.0
69.62879	17.8
71.46628	18.0
73.98189	15.3
81.07036	19.7
86.03326	16.1
91.05468	20.1
93.06998	25.3
104.99256	26.1
111.23953	14.1
139.69409	16.6
261.18457	21.7
363.18787	100.0
363.33093	35.9
364.19278	37.8
364.32193	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	363.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31520	10.2
57.14084	11.6
69.21818	31.7
69.22222	31.5
72.66802	9.9
79.33300	10.3
104.99298	33.2
110.39354	9.8
229.05057	12.7
241.48956	12.7
276.58954	12.4
317.20926	15.9
362.33047	12.4
363.19180	100.0
363.24924	25.7
363.29321	15.1
363.33969	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	363.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31254	0.3
67.05527	0.4
69.07057	0.4
70.06576	0.4
81.07038	0.7
82.83971	0.3
89.60851	0.4
91.05483	1.0
93.07059	0.4
109.61151	0.4
115.05451	1.1
117.06989	1.8
118.06543	26.9
119.06883	0.5
119.08583	0.6
121.10119	0.3
131.08562	0.4
132.08061	1.9
133.08884	0.7
134.09662	0.6
136.08423	0.4
142.06544	2.1
143.07336	2.0
144.04526	0.5
144.08099	10.5
145.08406	0.5
146.06006	44.4
146.09563	1.7
147.06339	1.4
160.07611	0.6
164.11537	0.5
167.07124	0.4
170.05998	3.2
176.14342	100.0
177.14687	3.9
188.07068	28.5
189.07365	1.2
192.10991	0.6
216.13713	0.7
234.14923	1.8
345.24823	0.3
363.20645	25.9
364.21008	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
55.80392	0.6
57.07074	1.9
61.19207	0.6
66.45821	0.8
66.53458	0.7
67.05515	1.0
69.07073	0.8
69.54027	2.3
70.06596	5.0
71.06921	1.1
71.08632	0.9
72.08160	1.0
80.76519	0.6
81.07034	1.7
84.08148	1.3
88.07636	2.0
91.05471	1.5
93.07085	0.8
95.08613	1.1
97.06538	2.6
102.09194	1.1
104.66243	0.6
104.99244	1.1
132.10220	1.7
137.05814	1.1
146.11800	2.1
154.10338	0.7
235.13060	1.6
256.26364	2.1
257.26709	1.7
300.29034	3.5
301.29346	6.6
303.15891	2.5
357.08755	0.7
362.32651	10.9
363.21423	100.0
363.32977	21.2
364.21735	10.1
384.60175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.7
57.07065	3.0
67.05508	6.8
69.07063	11.5
71.04977	0.9
71.08628	2.2
72.08112	0.8
79.05482	3.6
81.07056	11.4
83.04963	0.9
83.08611	3.7
83.20522	0.8
89.06035	8.6
91.05486	1.3
93.07048	6.2
95.08604	11.0
96.17319	1.0
97.06528	2.3
97.10178	1.8
105.07020	3.6
107.08610	5.1
109.06516	9.0
109.10149	4.4
111.08096	2.0
119.08604	5.1
121.10157	4.5
123.08067	58.5
123.11713	2.5
123.56970	0.8
124.08369	2.3
131.08601	1.0
133.08603	1.7
133.10144	2.4
135.08047	4.2
135.11696	2.3
137.09593	4.3
143.36958	0.8
147.11668	2.1
149.09659	1.2
149.13240	1.9
151.09642	5.2
151.11125	0.9
159.11691	1.0
161.13278	1.4
165.12750	1.0
167.14307	0.9
179.14288	11.1
181.79167	0.8
195.12242	0.9
233.19044	0.8
307.22699	8.5
314.42197	0.7
331.26337	3.3
363.28912	100.0
364.29263	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	364.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.3
57.03429	4.0
61.05478	2.4
67.05508	2.7
69.03419	6.6
69.07068	2.6
69.20973	2.3
70.06585	8.4
70.77303	2.8
71.04984	3.3
71.95265	1.9
72.00477	2.4
72.08150	2.6
79.05495	3.7
80.05013	2.4
83.04994	6.0
84.04502	2.5
84.08143	8.5
85.02922	4.2
93.07044	5.0
95.04954	3.0
96.08125	4.5
109.22250	2.2
110.09692	3.2
111.08095	3.0
112.07626	2.9
114.09180	6.4
120.08107	4.2
126.09190	2.4
129.10220	4.6
133.39365	2.0
139.07535	9.2
140.10710	3.4
140.36810	2.3
142.08643	49.8
142.09695	4.5
147.07619	4.0
149.05983	3.3
167.07036	16.3
168.10185	7.6
185.04243	19.0
186.11295	20.2
199.96158	2.2
203.05269	36.8
261.02832	5.7
261.36362	2.1
324.30334	2.2
346.22235	11.4
364.15192	90.9
364.23199	65.1
365.10587	100.0
365.15002	4.6
365.23257	4.5
382.15344	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	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
56.44869	0.3
69.03429	1.9
69.44762	1.3
71.04993	1.4
71.15253	0.2
72.08141	0.3
78.04710	1.6
79.05482	0.7
81.03416	1.7
81.07072	0.3
83.04981	0.3
84.04481	0.7
85.02912	5.2
87.04466	0.4
95.04975	0.7
97.02901	1.4
97.38010	0.3
98.47249	0.3
99.04463	0.3
102.21222	0.2
106.04156	0.9
107.04937	0.6
107.08562	0.3
109.02853	0.8
115.03930	1.1
117.05494	0.4
122.03703	0.3
123.04431	4.3
124.05201	1.1
127.03900	3.4
134.03650	0.7
137.05960	0.3
145.04939	1.3
151.03882	0.6
152.04649	1.2
167.07039	100.0
168.04153	0.3
168.07384	3.4
173.08075	0.3
175.43230	0.3
185.08163	0.6
194.97337	0.3
214.56787	0.3
225.11163	0.3
257.40573	0.3
259.08124	0.5
266.17514	0.3
347.13419	0.8
363.06769	0.3
364.17230	1.0
364.21249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25988	0.3
69.88307	0.9
71.05006	0.3
78.04714	1.7
79.05493	0.4
85.02853	0.3
95.04942	0.4
98.23416	0.3
106.04157	1.6
122.03664	0.3
123.04453	3.6
124.05211	1.1
134.03619	0.3
151.03938	1.0
152.04691	1.6
167.07043	100.0
168.07373	3.1
168.99365	0.3
185.08066	0.3
196.67992	0.3
229.43492	0.3
235.09000	0.3
236.90233	0.3
281.64771	0.3
364.17371	0.6
364.21320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22070	0.3
69.03423	1.5
69.56039	1.5
69.85908	0.4
71.05009	0.6
72.80816	0.3
73.02911	0.7
76.35661	0.3
78.04705	2.1
79.05502	0.9
81.03412	0.9
85.02895	3.8
95.04966	0.6
97.02892	0.7
98.97598	0.6
106.04157	1.5
109.02815	0.6
122.03662	0.4
123.04427	4.8
124.05190	1.2
127.03873	0.8
134.03618	0.5
140.04672	1.0
142.08617	1.6
145.04829	0.8
151.03877	1.0
152.04671	1.1
155.07053	0.8
156.10162	0.4
166.60753	0.4
166.62350	0.3
167.07037	100.0
168.07396	3.4
172.70438	0.4
177.00764	0.4
180.08704	0.7
185.08052	0.6
186.11206	0.6
188.77406	0.3
196.79097	0.4
203.05234	0.4
207.74315	0.4
229.67198	0.4
248.14993	0.5
297.88763	0.4
364.23386	2.9
365.11508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.8
57.03435	1.2
58.91713	0.4
61.02917	0.6
67.05502	6.5
69.03431	0.9
70.06580	0.7
70.69602	0.7
70.69923	0.7
71.68327	0.4
79.05479	2.2
81.07049	3.0
85.02899	3.4
86.16621	0.5
91.05496	1.0
93.07050	1.7
95.04962	4.8
97.02909	2.8
107.04964	0.5
109.06525	0.9
111.04441	1.6
111.08080	0.6
113.02341	0.8
116.07098	0.8
119.04974	0.7
120.08112	0.9
121.06522	3.8
123.04428	100.0
124.04757	2.4
137.05956	6.1
139.07500	2.9
145.04965	0.8
149.05981	6.2
167.07034	18.8
185.08086	50.3
186.08481	1.4
236.80103	0.4
364.21243	1.6
365.10764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74023	2.6
53.04309	2.7
55.01868	7.1
55.05510	13.1
60.04521	8.6
67.05497	15.3
68.24135	2.8
69.03423	5.8
69.07064	9.6
69.13163	4.8
69.13566	13.5
70.06597	5.6
71.04976	2.8
72.08143	5.9
79.05482	16.0
81.03442	3.1
81.07052	7.5
83.04983	6.4
83.08604	6.3
84.08133	8.7
85.02885	10.0
87.10539	3.3
91.05485	29.9
93.07041	8.0
94.06565	5.7
95.04952	11.9
95.08603	4.5
96.08089	4.8
97.10168	14.3
99.04430	3.1
105.07011	21.9
107.04936	14.3
107.08588	10.4
110.09657	6.8
111.04445	7.0
116.69831	3.1
117.07014	14.7
119.08573	32.3
120.08102	6.7
121.06483	7.2
121.10142	6.4
123.04406	5.4
124.11221	5.4
125.05977	5.0
125.09649	18.2
128.06244	4.4
129.06985	6.3
133.10130	18.6
133.43771	3.1
135.08038	4.1
136.11209	6.4
143.07016	3.8
143.08562	13.8
143.10677	33.7
145.10110	3.2
146.06001	12.0
147.08037	19.0
154.04723	4.2
161.09610	44.8
161.11757	6.0
162.12860	4.2
168.10205	3.0
171.08052	8.2
179.10663	30.2
189.09074	42.5
192.06555	3.6
207.10165	60.4
208.10526	5.7
225.11180	39.0
243.12283	11.6
267.13309	4.6
272.16446	11.0
311.11172	6.8
346.13248	3.4
346.20139	23.2
353.13028	2.8
364.21088	100.0
364.24957	36.9
365.21631	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	364.2116
Annotation	Consiculine
Peak:m/z	Relative Intensity
55.01929	0.3
57.03439	1.8
57.07078	0.4
58.85811	0.3
59.04999	0.5
67.05515	0.5
68.05016	1.2
69.03438	0.6
70.06581	0.7
79.05527	0.5
81.07047	0.8
82.06565	1.0
83.07354	0.9
86.06059	0.5
89.06023	0.8
89.17107	0.3
93.07048	0.7
94.06567	0.5
94.84209	0.3
95.08566	0.4
96.08116	1.6
105.07021	0.5
106.06577	0.4
107.08589	0.5
108.08134	0.4
109.06464	0.3
111.08104	0.4
117.07005	0.3
120.08137	0.4
121.06480	1.2
122.09701	0.8
124.11217	0.9
126.12807	0.6
127.06300	0.6
131.08563	0.4
134.09657	0.4
135.08017	0.4
136.11209	0.9
137.08575	0.3
137.11943	0.4
138.09232	0.3
138.12778	1.0
140.07079	1.9
140.32323	0.3
148.07553	0.5
149.09596	0.7
150.12770	1.2
152.10815	0.4
154.08617	0.3
162.12732	0.5
164.14340	0.9
166.08572	0.4
166.12251	0.6
170.11755	1.8
172.72853	0.4
178.15912	0.7
180.10252	0.4
185.09680	0.4
189.08928	0.3
194.11768	8.9
199.09494	0.5
203.05286	0.4
204.13733	0.6
204.17488	0.3
206.19022	0.6
208.13318	1.3
209.14217	0.4
222.14876	1.0
234.18521	0.5
250.18227	0.4
278.17459	2.2
292.15433	9.2
293.15872	0.4
306.16992	0.5
307.17770	3.6
308.18472	0.9
308.22031	0.4
313.41821	0.3
318.20361	0.5
336.21680	10.6
337.21997	1.0
344.70023	0.3
346.20010	1.4
364.21158	100.0
365.10437	0.5
365.21454	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	364.2118
Annotation	Consiculine
Peak:m/z	Relative Intensity
53.03917	0.1
55.01878	0.5
55.05509	0.4
56.05037	0.7
56.67310	0.1
57.03429	0.2
57.07061	0.1
58.06591	0.5
59.08912	0.1
67.05502	1.0
68.05029	0.3
69.03432	0.7
69.07062	0.7
69.55545	0.4
70.06595	2.0
71.04990	0.3
79.05489	1.0
80.05016	2.3
81.07063	1.5
82.06570	0.7
83.04975	0.5
83.07359	0.2
84.04500	0.1
84.08143	1.5
93.07047	1.0
94.06566	1.9
95.04954	0.5
95.07344	0.2
95.08598	0.7
96.08132	2.0
97.02892	0.8
97.06514	0.5
97.08913	1.5
98.06107	0.2
98.09689	0.8
99.04452	0.5
105.07021	1.1
106.06558	0.1
107.08603	0.7
108.08106	0.6
109.06522	0.2
109.08919	0.3
109.10162	0.3
110.09678	1.9
111.04466	0.9
111.10461	0.5
112.07597	0.3
114.09138	0.2
117.07021	0.2
118.28649	0.1
118.32716	0.1
119.08599	0.4
120.08096	0.4
121.06519	0.2
121.08867	0.1
121.10133	0.4
122.09663	5.5
122.10548	0.3
122.23088	0.1
123.04421	0.4
123.10411	0.4
124.07573	0.3
124.11228	3.0
125.05975	0.6
126.09150	0.7
128.07071	0.3
128.10719	0.4
129.05475	0.2
131.08572	0.4
132.08133	0.2
133.10097	1.1
134.09663	0.5
135.08141	0.2
135.10419	0.1
136.11217	4.2
137.11963	0.5
138.09065	0.2
138.12766	1.0
143.08528	0.2
145.10051	0.2
146.09676	0.2
147.08011	0.1
147.10522	0.1
148.11197	0.6
149.09607	0.2
149.11937	0.2
150.09140	5.6
150.12772	2.5
151.09477	0.3
151.11166	0.4
151.13492	0.2
152.10721	0.4
152.14348	0.2
154.12256	0.2
157.10158	0.2
160.11218	0.4
161.09663	0.3
162.12793	1.3
163.13567	0.2
164.10735	0.2
164.14294	0.7
166.08693	0.2
166.12262	2.3
166.15955	0.1
168.08777	0.2
168.10207	5.4
168.13834	13.3
169.10608	0.2
169.14204	0.5
170.11816	0.3
174.12798	0.4
175.13562	0.1
176.10664	0.1
176.14389	0.6
178.12260	0.3
179.10699	0.3
180.10400	0.2
180.13857	0.8
181.14613	0.7
182.11740	0.7
184.11070	0.1
184.13289	1.2
192.13773	0.9
192.17473	0.2
194.11760	0.3
194.15396	4.9
195.15735	0.3
196.13272	0.4
204.13850	0.1
206.11739	0.2
208.13327	0.2
208.16887	0.1
210.14854	0.6
216.13899	0.3
220.13432	0.2
220.16982	0.2
222.14832	0.2
222.18517	0.3
224.12846	0.2
234.14835	0.9
236.16438	3.4
237.16821	0.2
238.18008	0.3
246.14871	0.2
248.16412	0.9
250.18065	0.4
251.18210	0.1
264.15906	0.9
266.17511	11.9
267.17813	0.9
272.16397	2.3
273.16846	0.3
290.17499	5.2
291.17761	0.4
300.19431	0.4
310.17865	0.1
318.17313	0.2
318.20734	0.5
320.22119	0.2
328.19067	0.2
336.21695	0.5
346.20123	10.5
347.20456	0.9
355.83762	0.1
358.27008	0.1
362.19742	0.1
364.21149	100.0
365.21512	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	364.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16787	0.3
52.06386	0.4
53.28295	0.4
55.01866	0.7
55.05510	0.8
57.03437	0.4
58.06609	0.4
60.04515	0.4
67.05497	1.4
68.05027	0.5
69.03429	1.8
69.07063	0.8
69.67841	0.7
69.68228	0.7
70.06597	1.8
71.04990	0.4
77.92329	0.4
79.05477	1.4
79.34706	0.3
80.05009	1.5
81.07066	2.4
82.06568	0.7
83.04968	1.5
83.07359	0.6
84.08147	1.6
85.02885	0.8
86.17646	0.4
93.07050	1.6
93.85251	0.3
94.06590	1.8
95.08608	1.3
96.08144	1.9
97.02880	1.0
97.06526	0.8
97.08917	0.9
98.09718	0.7
98.23418	0.5
99.04452	0.4
105.07014	1.5
107.08591	1.6
108.08105	0.9
109.06504	1.6
109.10142	0.4
110.09672	1.7
111.04444	1.4
111.08057	0.5
111.10468	0.7
119.08600	0.5
120.08112	0.7
121.06522	0.5
121.10150	3.4
122.09665	4.3
123.04447	0.4
123.08086	0.5
123.11711	0.9
124.11235	2.2
125.05972	0.7
125.09608	1.0
126.09167	0.5
129.07057	0.4
131.08533	0.8
133.10133	0.9
133.84790	0.4
134.09642	0.7
136.11208	3.4
137.09583	0.4
137.12039	0.4
138.12785	0.8
139.07550	0.5
139.11183	1.9
148.11194	0.4
149.09604	2.0
150.09129	5.0
150.12727	2.1
152.10666	0.4
161.09605	0.6
162.12776	1.3
164.14397	1.0
166.12222	2.4
167.10674	4.2
168.10188	5.2
168.13840	11.3
169.14252	0.5
170.11748	0.5
173.12006	0.4
174.12857	0.4
176.14317	0.4
178.12216	0.5
179.10791	0.4
180.13823	1.1
181.14595	0.7
182.04544	0.5
182.11760	0.6
184.13335	1.1
185.11737	1.5
190.12265	0.6
192.13835	0.8
194.15404	5.5
207.10172	0.4
208.13333	0.5
208.16899	0.4
210.14873	0.9
234.14848	0.9
236.16469	2.5
238.17944	0.6
248.16508	1.2
252.01553	0.5
252.72096	0.4
264.15927	0.7
266.17499	10.9
267.17862	0.7
272.16425	1.8
290.17474	4.3
318.20490	0.6
320.22141	1.6
336.21649	0.9
346.20148	10.1
347.20300	0.6
364.21124	100.0
365.21475	10.3
365.24976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75091	0.2
53.03961	0.3
64.03164	0.3
69.68461	0.9
71.45046	0.2
77.03933	0.2
78.04069	0.2
79.05490	5.3
87.03496	0.2
91.05499	0.8
92.02612	2.4
93.00104	0.2
95.04970	1.2
104.99248	0.3
107.04949	4.2
119.08602	0.3
120.02084	0.4
129.07080	0.3
131.08571	1.0
133.06516	0.3
135.04417	14.3
136.04822	0.3
145.65038	0.3
149.05923	0.4
153.05479	1.2
155.01088	0.4
161.05965	0.4
163.03903	54.6
164.04272	1.8
176.08292	0.3
177.05426	1.2
181.04967	0.5
183.04192	0.3
198.98843	0.3
204.06557	0.9
219.10159	100.0
220.10504	4.7
364.21011	0.5
365.10406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05502	0.6
57.03433	2.3
67.05489	0.5
68.05019	1.0
69.03421	0.6
69.30425	1.2
70.06590	0.4
70.39506	0.3
80.37010	0.3
81.07056	0.5
82.06574	1.2
83.07351	1.1
86.06051	0.8
93.07048	0.8
94.06539	0.5
95.04959	0.6
95.08586	0.4
96.08146	1.5
107.08598	0.6
108.08120	0.4
119.08567	0.4
120.08089	0.6
121.06511	1.1
121.10123	0.6
122.09686	1.0
124.11231	1.4
125.05968	0.5
126.12749	0.6
127.06334	0.5
130.19867	0.4
131.08621	0.3
133.10056	0.3
136.11201	2.1
138.12749	0.9
140.07076	1.7
141.07814	0.3
147.11722	0.3
148.07559	0.4
148.11206	0.5
149.09593	0.9
150.12764	1.2
152.10686	0.5
154.12270	0.5
159.08093	0.4
162.12762	0.8
164.14378	1.2
166.08618	0.5
166.12262	0.4
170.11778	1.4
174.10481	0.4
176.14348	0.5
177.12775	0.5
178.15919	0.7
192.10098	0.3
194.11749	9.4
195.12120	0.6
204.13866	0.6
206.15581	0.4
206.19044	0.7
208.13356	1.0
209.14175	0.4
216.14937	0.6
222.14836	1.0
234.18559	0.5
250.17992	0.6
250.53334	0.4
251.18880	0.3
258.14426	0.6
278.17511	2.3
290.21011	0.4
292.15451	8.7
293.15799	0.5
301.18008	0.4
306.17029	0.4
307.17810	3.0
308.18451	1.2
308.22198	1.6
318.20828	0.4
336.21689	9.0
337.22079	0.9
346.19824	2.2
364.21136	100.0
365.21478	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	364.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
55.05512	2.6
57.03428	1.6
58.02959	0.6
63.05903	0.4
67.05506	3.0
68.37559	0.4
69.03431	7.2
69.07059	0.8
70.06585	1.7
71.04981	1.5
72.93124	0.4
73.02903	0.9
74.06076	1.2
79.05495	3.6
81.03354	0.5
81.07053	3.4
82.06575	1.4
83.04985	7.3
83.08598	0.9
84.08146	1.3
86.06061	1.3
87.04479	0.7
88.42793	0.4
93.07026	3.1
94.06560	2.1
95.04974	1.3
95.07323	0.9
95.08601	0.7
96.08128	5.4
97.02898	1.4
97.06541	0.7
98.06045	1.6
98.09691	0.9
100.07576	1.2
105.06998	0.6
108.08051	0.7
109.06508	1.4
110.09688	3.4
111.08075	8.8
112.07610	4.4
112.11245	1.0
114.09164	11.5
119.08556	0.5
120.08071	0.9
122.09664	2.3
123.04442	0.6
123.08086	0.7
124.07594	3.1
126.09140	1.5
137.41728	0.5
138.09129	1.4
139.07542	6.8
140.07014	1.1
140.10695	6.2
142.08633	70.3
143.08951	1.8
150.09174	1.1
156.10242	3.0
157.08611	0.7
160.09689	18.8
167.07022	7.6
168.10185	7.7
174.11290	0.5
186.11253	18.1
187.11552	0.4
200.12886	0.6
203.05321	0.8
204.12311	11.5
230.13950	1.6
248.14929	11.9
249.15291	0.7
269.87482	0.4
270.17102	0.9
288.18124	1.1
328.21240	0.7
346.22202	2.4
364.23276	100.0
365.10394	2.7
365.23657	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	364.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05289	2.9
55.05512	28.8
65.03950	2.9
67.05164	4.6
67.05505	53.5
69.07065	21.1
69.80488	2.4
71.08624	6.4
73.06553	2.6
79.05491	35.1
81.06638	2.9
81.07069	40.0
83.04985	2.9
83.08613	7.8
89.06041	12.0
91.05471	13.4
93.07048	34.4
94.06577	5.5
95.08601	26.6
97.06513	4.3
97.10166	6.9
99.04423	2.5
104.99299	2.4
105.07024	8.3
107.08619	22.8
109.06517	3.5
109.10172	13.7
111.08106	3.3
119.08576	7.5
121.10134	8.7
124.07580	3.8
131.08531	3.3
133.08589	4.6
133.10107	5.1
135.11729	3.5
137.97015	2.7
138.09143	8.5
139.07816	2.3
149.13246	2.7
162.12770	3.5
180.13782	6.4
184.15260	2.7
290.17719	3.6
305.21515	5.8
305.24741	57.6
306.24979	4.5
322.99039	5.3
332.22223	6.2
364.20892	5.8
364.24783	40.9
364.32074	100.0
365.32220	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	365.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07981	1.6
56.96538	8.0
65.86781	1.6
70.06595	1.9
85.02859	3.4
86.09679	2.3
88.93567	1.7
93.23493	1.6
95.87721	1.7
98.97571	10.7
110.97514	4.0
116.98532	4.3
119.01851	2.4
128.98572	3.3
131.05493	2.1
140.98531	2.6
143.00145	2.7
161.01158	2.7
170.99495	1.9
177.00786	2.4
185.04213	3.4
189.00696	2.7
203.02200	3.2
203.05138	12.6
203.07365	4.2
215.07497	4.2
219.01721	8.0
231.99693	2.2
237.02617	2.7
245.03204	2.4
251.04254	3.4
269.05374	1.9
305.05264	2.3
305.10706	15.1
323.06229	2.6
347.06796	1.9
365.08105	100.0
366.08963	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	365.085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27781	0.9
63.55663	0.8
67.52005	0.9
69.33630	4.5
69.34013	1.9
70.92561	0.9
72.28533	0.8
94.65949	0.9
101.00897	3.1
103.00624	3.2
107.35883	1.0
113.00852	1.0
115.00584	1.6
119.01909	3.1
121.01675	3.8
121.02456	1.1
129.37128	0.8
131.01857	2.0
133.01643	2.8
143.01910	2.4
145.01677	1.1
155.01898	3.2
157.01683	1.7
157.03491	1.5
161.02975	2.0
171.05029	1.7
173.02962	5.1
173.04703	1.9
175.02687	1.7
175.04524	1.6
183.05029	2.4
185.04233	18.2
189.04240	2.0
191.32272	0.9
199.02821	1.4
199.04535	5.0
201.05988	1.7
203.05283	43.9
205.45360	0.9
217.03758	5.3
217.05606	8.0
229.03717	1.2
232.02443	1.1
235.04865	2.2
241.01683	1.1
245.03276	6.2
245.05515	7.7
257.05276	1.9
263.04135	2.1
263.06476	1.5
275.04282	2.6
287.06070	2.6
299.83838	1.0
305.05481	2.1
317.07263	1.7
337.03922	1.0
347.08194	2.7
365.10910	100.0
366.11319	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27781	0.9
63.55663	0.8
67.52005	0.9
69.33630	4.5
69.34013	1.9
70.92561	0.9
72.28533	0.8
94.65949	0.9
101.00897	3.1
103.00624	3.2
107.35883	1.0
113.00852	1.0
115.00584	1.6
119.01909	3.1
121.01675	3.8
121.02456	1.1
129.37128	0.8
131.01857	2.0
133.01643	2.8
143.01910	2.4
145.01677	1.1
155.01898	3.2
157.01683	1.7
157.03491	1.5
161.02975	2.0
171.05029	1.7
173.02962	5.1
173.04703	1.9
175.02687	1.7
175.04524	1.6
183.05029	2.4
185.04233	18.2
189.04240	2.0
191.32272	0.9
199.02821	1.4
199.04535	5.0
201.05988	1.7
203.05283	43.9
205.45360	0.9
217.03758	5.3
217.05606	8.0
229.03717	1.2
232.02443	1.1
235.04865	2.2
241.01683	1.1
245.03276	6.2
245.05515	7.7
257.05276	1.9
263.04135	2.1
263.06476	1.5
275.04282	2.6
287.06070	2.6
299.83838	1.0
305.05481	2.1
317.07263	1.7
337.03922	1.0
347.08194	2.7
365.10910	100.0
366.11319	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06573	1.0
60.08162	5.3
70.04852	0.5
94.93000	0.6
104.10744	100.0
105.11072	1.3
112.89613	1.2
121.01703	0.5
164.93588	0.6
185.04193	6.5
203.05263	15.4
204.05550	0.6
225.01218	2.9
234.10049	1.3
276.91321	0.7
341.95944	0.5
365.10785	34.7
366.10974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31774	0.6
56.96547	1.3
57.03408	1.6
60.04530	0.8
61.02917	1.0
62.75137	0.5
65.28017	0.6
67.05524	0.7
69.03436	5.3
69.07068	28.7
69.90919	1.6
69.91248	0.9
70.06569	2.4
70.07395	0.9
71.04967	1.2
73.02890	0.7
81.03399	2.8
84.08128	0.9
85.02418	0.8
85.02906	14.6
95.04958	1.7
97.02905	5.1
97.06532	3.6
98.97562	2.3
99.04439	1.0
104.48363	0.7
109.02871	2.2
112.07610	4.2
114.71261	0.7
115.03892	1.3
116.98592	0.7
123.04407	1.5
127.03927	5.4
139.03848	1.0
140.07065	39.2
142.08727	0.8
145.04927	1.7
149.05995	0.7
156.14635	0.7
158.99658	1.3
167.07031	2.1
168.06554	100.0
169.06882	3.0
177.00868	0.8
182.08130	8.1
185.04204	4.9
186.07611	37.5
187.07979	1.4
189.00681	0.9
203.05266	12.4
210.07620	13.9
213.04611	0.8
219.01532	0.8
228.08829	3.6
234.07675	1.8
237.02684	0.8
252.08607	0.8
264.08682	1.0
294.09903	1.0
312.10779	1.1
323.10223	1.5
330.11923	5.1
334.83212	0.7
348.12811	9.9
365.06470	1.5
365.10577	30.4
366.11023	2.0
366.19064	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	365.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53138	2.4
53.40699	2.9
53.85295	2.4
55.05514	8.9
56.96568	9.1
57.03437	4.1
67.05502	11.0
69.03437	5.9
69.07079	6.7
70.43616	4.7
72.78083	2.8
79.05510	13.4
81.07038	13.3
91.05497	7.4
93.07056	6.4
95.05021	2.4
95.08633	9.1
97.06521	4.5
97.10147	3.8
105.07029	8.2
107.04950	5.5
107.08587	8.2
109.06487	3.6
119.08590	5.4
131.08586	3.1
133.10118	3.4
143.08669	3.4
147.11729	2.8
166.93771	2.8
223.13319	4.5
224.07109	3.2
269.10666	9.5
273.18500	5.1
291.19583	15.1
365.17252	100.0
365.22675	12.5
366.17545	8.4
383.17636	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	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.9
56.96564	3.9
58.23116	3.4
67.05498	11.3
69.07056	7.4
74.01173	3.0
79.73735	3.2
81.07035	7.5
87.05591	4.1
91.05473	5.4
93.07032	7.3
95.08593	9.5
104.99258	3.9
105.06994	8.4
121.10158	3.1
125.90288	3.1
135.11650	3.8
178.79819	3.1
185.04253	8.8
203.05350	18.0
203.39223	3.1
213.41129	3.6
274.07910	3.6
365.10504	51.4
365.17078	34.6
365.22910	100.0
365.27838	31.1
366.16809	5.2
366.23248	3.7
383.17441	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	365.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25940	0.5
59.31403	0.4
69.33109	2.3
77.38484	0.4
81.07058	0.7
84.08141	0.9
95.05000	0.9
95.08585	0.6
99.04416	0.5
111.34351	0.5
111.56060	0.5
118.94579	0.5
177.98924	0.5
185.04230	2.8
185.05638	0.6
203.05246	6.1
211.51273	0.5
279.12125	0.5
303.19305	0.9
319.18823	1.7
347.18420	1.7
349.17828	0.5
365.10547	16.0
365.19357	100.0
366.19870	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	365.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90434	3.9
55.05516	9.0
57.07071	5.6
57.44186	3.7
67.05488	6.4
69.06704	3.6
69.07081	4.1
71.43267	3.9
73.14686	3.6
76.64255	4.3
79.05476	5.2
81.07063	12.3
83.08607	4.6
85.06557	4.1
93.07044	6.7
95.08611	10.3
101.62006	3.4
105.06977	7.0
107.08646	4.8
109.06557	4.8
109.10169	3.6
119.08652	5.1
121.10144	3.5
145.10068	3.7
149.13251	4.3
165.09151	5.4
221.15352	4.8
263.20081	4.1
347.25894	36.3
365.10379	11.2
365.21042	12.4
365.26859	100.0
366.27377	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10162	6.9
67.05500	13.2
69.56886	24.7
81.07056	14.7
95.08572	11.1
98.22717	15.0
98.97583	11.1
119.08566	7.8
185.04216	22.0
203.05234	44.3
277.21704	10.2
308.01279	7.7
347.18936	17.1
365.10394	100.0
365.20584	38.4
365.26367	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	365.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21947	0.5
65.78461	0.6
67.05503	0.5
69.07077	0.7
69.17677	3.2
70.66803	0.5
75.38640	0.5
80.05016	1.0
81.07059	0.9
90.95292	0.4
93.07045	0.5
95.08601	1.3
101.12345	0.4
104.99265	0.8
105.07014	0.7
109.10174	0.7
121.10136	0.8
133.10158	0.5
135.08083	0.6
145.10085	0.6
168.73857	0.5
203.05399	0.6
212.07933	0.5
296.29541	1.3
341.64899	0.6
347.26462	0.5
365.23004	100.0
366.18457	0.7
366.23257	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	365.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05506	1.6
57.03440	1.2
67.05507	2.1
69.07052	0.8
69.15730	3.9
79.05492	2.5
81.07049	4.8
83.04965	1.2
85.06567	0.6
91.05495	2.4
93.07034	2.1
95.04967	2.2
97.06495	0.6
98.22564	1.0
104.99258	1.2
105.07030	1.3
107.08580	1.1
109.06504	1.6
111.04443	1.4
113.06026	1.7
117.07066	0.8
119.08568	1.6
121.02639	0.7
121.06430	0.6
121.10141	1.1
123.08082	0.8
131.08588	0.8
135.08047	0.9
137.06038	0.7
145.10081	0.9
165.09030	0.9
185.04279	1.4
193.12085	0.6
195.10014	0.6
203.05237	3.1
205.08353	6.8
263.12366	1.1
273.18475	1.9
282.41199	0.6
291.19507	4.2
312.13458	0.6
319.15094	0.7
320.65189	0.6
347.22421	0.8
365.10663	5.8
365.19269	7.1
365.23016	100.0
366.10571	0.6
366.15372	1.0
366.19345	0.9
366.23370	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	365.2301
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
59.04986	2.3
62.51223	0.7
64.44130	0.8
64.97806	1.5
67.05505	0.8
69.67310	1.0
69.67659	2.6
94.49279	0.7
98.22623	0.9
130.74823	0.7
158.74190	0.7
185.04234	1.3
203.05334	4.1
222.11378	0.7
261.47894	0.8
276.86124	0.8
284.17700	0.8
351.99976	0.7
365.10510	8.5
365.22964	100.0
366.10617	0.8
366.23398	6.2
369.56549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.68565	0.8
53.03945	1.9
55.01880	6.4
55.05264	1.6
55.05515	30.0
57.03442	10.3
59.05000	1.6
67.05506	29.3
69.03432	12.7
69.07071	37.4
69.07450	2.1
71.04994	2.4
71.44234	1.0
76.51890	1.0
79.05495	27.3
81.03405	5.7
81.07062	22.3
83.04984	7.3
83.08278	0.8
83.08634	9.6
85.06543	1.1
91.05479	13.6
93.07048	17.5
95.04973	7.9
95.08615	11.2
97.02899	15.1
97.06531	5.0
97.10180	18.1
100.76785	0.9
105.03403	1.1
105.04588	1.2
105.07037	11.0
107.04974	6.7
107.08596	15.3
107.09265	1.5
109.06570	1.7
109.10162	9.2
111.08087	3.2
114.05407	1.0
115.05422	1.9
117.07024	5.2
119.08582	11.3
121.06516	1.6
121.10127	5.1
123.08082	4.4
123.11720	1.2
125.09621	10.4
129.07014	3.0
131.08553	6.8
133.06557	1.1
133.10159	5.0
135.08043	4.6
135.11716	2.1
137.09628	2.7
143.08577	3.3
145.06506	1.1
145.10158	6.0
147.08044	3.4
147.11659	2.6
149.13268	2.0
151.11211	0.9
157.10181	1.9
159.11696	2.8
161.09596	2.2
161.13240	1.1
163.11177	1.5
165.09103	2.9
171.10173	1.1
171.11644	1.3
173.11781	1.5
175.11201	1.5
175.14897	0.9
177.12813	2.1
185.13252	1.4
189.11252	7.5
189.12737	1.6
195.13838	1.8
205.12332	1.7
218.11632	0.8
223.13301	29.7
227.12827	2.2
245.18903	1.9
249.14940	2.0
255.17557	1.3
263.20071	2.1
273.18533	13.1
274.18884	1.3
291.19553	100.0
292.19946	5.9
311.33124	1.0
347.22104	2.2
365.10434	1.6
365.23218	51.8
366.16943	1.4
366.23294	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.84889	1.4
53.03942	1.6
55.01868	5.2
55.05502	5.6
57.03441	41.9
57.07068	3.2
65.03915	2.7
67.05166	2.6
67.05510	41.5
69.03442	1.6
69.07064	6.6
70.19097	3.0
70.19438	2.2
71.04986	6.4
79.05486	15.9
81.03410	3.2
81.07069	17.0
83.04981	3.1
83.08631	2.0
85.06543	29.8
91.05487	16.7
93.07048	19.1
95.04974	52.1
95.08620	10.6
97.06526	5.3
97.10136	2.5
98.06841	1.8
99.08085	1.5
105.07039	11.4
107.04949	6.0
107.08609	12.1
109.06519	43.6
109.10153	4.4
111.08067	2.0
113.06010	89.5
117.07012	8.6
118.47472	1.3
119.08577	6.4
121.06487	3.2
121.10158	6.2
123.08080	3.3
123.11629	1.5
129.06984	3.7
131.08574	10.7
133.10135	5.1
135.08054	29.2
135.11684	5.6
137.05978	2.8
143.08574	5.8
145.10129	5.8
147.08064	4.1
147.11705	2.1
149.09616	4.2
155.08589	1.4
157.10156	5.9
159.08031	1.6
159.11708	4.4
161.09618	6.7
162.12984	1.5
171.11673	2.5
173.13260	3.1
175.11206	2.0
177.12712	3.2
183.11665	1.5
185.13289	2.1
187.11163	2.2
199.14859	2.6
201.12813	2.1
217.15880	10.7
233.15378	3.3
245.19087	1.8
250.14635	2.0
256.36667	1.8
260.57132	1.6
263.12613	2.4
273.18518	18.0
291.19562	35.7
292.19980	2.2
295.14905	1.6
330.17697	1.7
347.22165	2.7
365.10165	2.2
365.23010	100.0
366.19232	2.1
366.23138	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01879	6.9
55.05513	46.2
56.73215	2.7
57.03440	15.8
59.04996	3.9
64.02868	2.5
65.03939	6.8
67.05505	56.5
69.03423	5.2
69.07066	25.1
69.77399	9.2
71.04991	7.3
74.41581	2.6
79.05495	65.8
81.07057	68.4
83.04988	8.5
83.08617	12.0
85.06522	4.3
88.96301	2.6
91.05484	99.3
91.06061	5.6
93.07049	73.3
95.04955	19.3
95.08617	45.4
97.06526	12.8
97.10170	15.2
101.06017	4.2
103.05450	3.4
105.04530	4.6
105.07034	78.9
107.04957	11.1
107.08607	32.3
108.20474	2.7
109.06481	17.7
109.10152	10.6
111.08066	5.6
115.05450	7.9
116.06248	3.8
117.07021	43.5
118.05164	2.9
119.08590	48.8
121.06523	8.5
121.10149	17.7
123.08052	9.9
125.09663	7.8
128.06241	18.9
129.06995	30.4
130.07762	11.5
131.08569	94.8
133.06496	9.5
133.10126	28.1
135.08078	6.4
135.11723	7.3
137.09616	4.8
139.11191	4.3
141.06998	11.6
142.07761	6.4
143.08563	100.0
145.06419	3.4
145.08974	5.9
145.10120	96.2
145.11224	6.3
146.10509	3.5
147.08060	11.7
147.11653	13.3
149.09624	10.0
149.13277	3.3
155.08553	10.4
157.10138	29.6
159.08081	5.8
159.11708	20.7
161.09676	14.4
161.13239	4.8
161.84679	3.0
166.07835	2.9
169.10115	14.9
171.11676	26.3
173.09627	5.5
173.13403	3.2
175.11192	8.2
177.12732	9.6
181.10168	13.2
183.11719	10.4
185.09628	4.5
185.13286	9.1
187.11121	5.9
195.11694	24.0
197.13380	3.2
199.11343	3.4
201.12674	3.7
209.13315	4.0
213.12833	5.1
213.16594	3.8
227.17953	6.4
237.16408	18.4
245.19113	10.6
255.17386	24.9
273.18484	51.0
274.18558	3.9
291.19244	4.4
347.12796	9.0
347.22186	38.9
365.19232	9.9
365.23129	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	365.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.3
56.05032	1.7
57.07074	2.3
58.06599	2.5
58.34717	1.2
60.04510	2.9
67.05505	26.1
68.05021	2.0
69.07063	15.4
69.44833	1.4
69.67723	1.3
70.02949	2.8
70.06580	3.9
71.12135	1.9
73.02902	2.3
74.02434	1.7
79.05489	9.8
80.05000	2.6
81.07056	29.5
82.06573	3.0
83.08173	1.5
83.08611	8.3
84.04460	2.0
84.08139	1.6
87.05589	14.3
88.03978	5.7
91.05473	5.2
93.07043	11.6
94.06550	1.6
95.08607	22.1
96.04485	1.4
96.08115	3.2
97.10153	2.1
99.00862	1.6
100.03957	2.3
102.05508	2.4
105.07021	5.4
107.08571	6.6
108.04462	1.6
109.10158	10.1
110.09696	2.6
114.05527	3.2
119.08571	2.1
121.10189	8.3
123.11688	2.3
133.10150	2.3
135.11661	5.2
136.11224	2.4
140.06987	1.4
147.11649	3.3
148.09975	1.4
148.11102	2.7
149.13219	3.6
150.12749	2.5
151.14836	1.8
154.04977	3.0
171.30447	1.3
175.14879	2.1
185.04166	2.5
198.90370	1.3
201.14352	1.4
203.05240	6.5
233.22650	1.9
250.25418	1.6
260.23807	8.6
262.25345	3.9
276.26840	6.1
302.24829	1.8
306.24255	6.0
319.27362	7.7
320.25812	6.4
321.29050	3.3
348.25488	2.0
365.10587	17.6
365.23068	16.9
365.27921	100.0
366.23587	2.6
366.28369	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	365.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05510	11.9
55.20462	1.2
56.05032	3.7
59.05005	1.5
60.04511	4.4
64.97809	2.6
67.05504	31.4
68.05027	4.7
69.07063	17.5
70.02961	2.0
70.06591	3.5
73.02908	1.8
79.05491	12.3
80.05009	1.9
81.07056	25.7
82.06587	3.7
83.08628	7.4
84.04483	3.1
84.08143	2.2
86.02422	2.0
87.05582	16.4
88.03989	6.2
91.05491	8.9
91.72754	1.4
93.07047	16.9
94.06561	2.2
95.08601	24.8
96.08152	1.3
97.10188	4.8
99.00815	2.4
100.03961	2.2
104.99264	1.6
105.07030	5.7
107.08630	8.5
108.04498	1.4
108.10017	1.7
109.10147	9.0
110.09697	1.9
114.05523	1.9
119.08579	2.4
121.10156	9.6
123.11714	2.3
126.05516	2.2
128.03465	1.8
133.10135	2.9
135.11697	6.4
148.11234	1.6
149.13228	2.6
150.12813	1.7
154.04965	2.6
159.11615	1.5
185.04182	3.2
185.90259	1.3
203.05273	6.5
210.16360	1.4
231.21239	1.7
233.22630	3.4
260.23737	9.3
262.25287	3.3
265.14111	3.3
276.26865	7.3
302.24844	3.1
304.26160	1.5
306.24329	4.8
319.27438	6.8
320.25803	5.4
321.28864	2.4
348.25504	2.7
365.10587	17.9
365.22983	40.3
365.27933	100.0
366.10599	1.4
366.16168	1.6
366.23373	4.1
366.28259	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	366.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	30.9
62.19646	0.6
69.03429	1.9
71.32869	0.6
71.45280	0.6
71.95250	0.7
72.04523	1.0
72.08151	2.1
79.40115	0.6
81.03448	1.2
84.08141	1.2
84.96032	9.4
85.02896	2.7
87.04450	0.9
90.09196	4.8
95.46783	0.5
97.02879	1.0
97.06548	0.8
98.97584	100.0
99.97909	1.0
102.96935	2.0
110.07166	1.3
110.97572	75.4
112.99134	5.0
116.98624	52.7
120.97888	0.7
126.97057	1.0
127.03901	0.7
128.98608	86.0
129.98932	1.6
130.25642	0.6
131.00165	7.1
134.99660	18.4
136.06163	3.9
140.00247	1.0
140.98621	2.0
143.00186	1.2
144.98126	2.8
145.04990	0.7
146.99651	43.5
149.01224	3.8
151.03949	0.8
152.00182	1.8
153.00725	1.9
158.99646	2.9
161.01192	1.4
162.99117	2.3
165.00735	3.3
167.07079	0.8
169.08652	0.7
170.99657	5.6
174.00807	4.0
177.00597	2.5
181.00142	0.8
181.04950	0.9
182.99664	2.1
186.04457	1.1
189.00711	14.2
191.02264	0.7
192.01933	58.3
193.01962	0.9
201.00726	5.5
203.05325	0.6
204.05566	1.2
207.01740	3.2
210.02991	42.6
219.01794	1.5
220.01430	4.8
223.01059	1.2
228.04031	4.0
231.01810	1.1
233.04474	0.7
234.02985	25.1
235.03125	1.0
238.02483	4.7
246.02995	33.6
247.03394	0.9
248.04556	4.9
249.02855	2.6
252.04066	11.0
262.02505	1.3
262.97537	0.9
264.04047	13.4
265.04236	0.7
266.05621	1.2
274.97513	0.8
276.03864	0.7
280.03381	1.4
282.05032	1.2
306.05176	1.5
308.14651	0.8
324.06155	31.5
325.06516	1.4
342.07205	32.0
343.07416	1.9
365.08789	0.9
366.07175	77.9
366.19180	7.5
367.07303	2.9
384.08246	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09760	0.4
55.01845	1.9
57.03435	2.3
60.04509	1.1
61.02890	0.5
61.33295	0.4
69.03391	1.7
70.06593	2.3
71.01335	0.7
71.05001	2.0
71.05315	0.4
73.02900	0.8
79.05462	0.6
81.07040	1.0
85.02885	1.3
93.07025	0.4
99.04445	3.7
104.81322	0.4
115.03976	0.6
119.03506	0.4
136.06184	26.9
137.06595	0.5
151.11147	0.5
159.06689	0.6
161.08199	2.0
169.12198	0.7
171.06662	7.3
173.06950	1.3
188.09312	49.2
189.09813	2.2
211.39362	0.4
216.08792	13.4
234.09854	100.0
235.10182	3.9
241.47141	0.4
278.17172	0.5
292.19174	1.0
322.20230	1.9
348.21768	0.9
366.14102	31.0
366.22623	13.1
366.26981	1.1
367.14313	2.1
367.23041	0.8
385.84741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
55.05500	1.0
55.65267	0.4
57.03449	1.9
57.07069	0.5
59.05013	0.4
60.04505	0.6
67.05499	1.7
68.05022	0.5
69.03435	6.0
69.07056	0.9
70.06596	34.8
71.05001	0.8
71.06921	0.7
74.37174	0.4
79.05497	1.6
79.18505	0.3
80.05015	0.4
81.03409	1.0
81.07049	2.2
82.06583	1.0
83.01350	3.0
83.04963	0.5
83.07352	1.7
84.08174	0.6
85.02913	2.9
86.06057	1.0
86.09687	0.6
87.00822	1.6
91.05480	0.9
93.07041	1.5
95.04950	1.3
95.08611	1.5
95.29309	0.4
96.04495	0.5
96.08126	1.6
97.02882	2.5
97.06544	3.8
97.10180	0.4
97.59921	0.4
98.06045	0.8
99.04457	1.2
105.01877	2.4
105.07017	1.2
107.08559	0.8
108.08128	0.5
109.02853	1.0
109.06530	1.0
109.10144	1.5
111.08063	0.8
117.07031	0.8
119.04927	0.6
119.08606	1.2
120.08100	1.1
121.06493	1.6
121.10134	0.5
123.08062	0.6
123.11736	0.4
124.11197	1.2
125.05998	21.5
125.09638	0.4
125.12018	1.1
126.06321	0.6
126.12772	1.0
127.03911	3.2
129.07048	0.4
131.08557	1.1
133.10104	0.6
135.08022	0.6
136.07616	0.6
136.11194	1.0
137.06015	0.7
137.09621	0.9
138.12784	1.0
139.03905	9.6
140.07047	0.6
145.04984	2.4
145.06500	1.6
145.10127	0.4
147.04330	0.4
147.08043	1.8
148.07524	0.5
148.11183	0.5
149.05969	0.5
149.09677	0.5
150.12788	0.4
151.11185	0.5
153.04236	0.5
153.05484	8.3
154.12277	1.2
159.08058	1.1
161.09688	0.8
162.12808	0.6
163.07565	1.1
164.14369	1.0
165.09103	0.6
166.08704	0.9
166.12300	0.7
169.12262	1.9
170.11766	1.3
173.05936	0.9
173.09631	0.6
175.07567	0.5
176.14377	0.7
177.09108	0.9
177.12723	1.2
178.12234	0.4
181.04979	1.1
187.07535	0.9
189.12721	0.7
191.07069	0.8
194.11768	3.5
194.15422	1.7
201.05502	0.4
204.13885	1.1
205.08640	3.2
205.15834	1.4
206.18927	0.4
208.13348	0.5
215.14359	0.7
219.06540	1.1
222.11295	0.6
222.14751	0.4
223.09686	3.8
223.15668	0.9
224.10092	0.4
231.05017	1.6
232.16982	0.8
233.08073	4.4
233.15382	1.1
249.06245	0.6
250.18042	2.8
251.09154	4.0
260.16415	0.9
261.07547	1.1
274.17810	0.4
278.17514	10.7
278.20560	0.5
279.08646	18.8
280.08966	1.0
292.15979	0.4
292.19080	1.6
306.11844	0.6
308.18741	1.1
310.20068	0.4
322.20087	0.9
330.13589	0.7
331.18948	0.4
334.20154	0.5
338.23206	1.6
347.23877	0.4
348.14481	7.6
348.21664	1.5
349.14966	0.5
358.56607	0.4
365.25214	1.1
366.22748	100.0
367.15491	0.4
367.23102	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	366.1703
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
51.88337	0.2
53.03941	0.2
55.05515	1.3
57.07069	0.3
65.52701	0.2
66.98805	0.2
67.05503	0.8
67.94440	0.2
69.07066	0.3
69.90573	0.3
69.90907	0.5
71.04984	0.4
79.05486	0.3
80.05023	0.4
81.07056	1.0
83.01347	3.2
83.05013	0.6
83.39000	0.2
91.05473	0.5
93.07043	0.6
93.80457	0.2
94.72739	0.3
95.04967	0.5
95.08597	0.8
98.23375	0.2
99.04459	5.9
105.06985	0.4
109.06572	0.3
109.10162	0.5
115.27541	0.2
119.08590	0.3
123.11703	0.3
127.03916	6.2
130.06569	0.2
133.10181	0.2
141.06897	0.3
144.36966	0.2
145.10201	0.2
154.06526	0.8
155.08467	0.3
156.08072	1.0
167.07306	4.6
168.08093	6.6
169.08864	4.2
170.09587	0.9
180.08078	1.1
181.08911	1.5
182.06018	0.5
182.09656	10.4
183.06714	0.5
183.10124	0.6
184.07573	2.4
185.08167	0.2
194.09668	0.6
196.07573	3.6
196.11188	2.1
197.08321	2.6
198.09166	0.5
207.10364	0.4
208.07564	0.9
208.11249	0.4
209.08403	1.1
210.09166	7.7
210.12749	11.0
211.09694	0.7
211.13441	2.3
212.07008	1.5
212.14284	1.1
221.08298	0.4
221.15344	1.9
222.09146	0.6
222.12822	0.6
223.09821	0.4
224.07048	0.4
224.10628	1.2
226.08626	6.3
226.12161	0.2
227.09000	0.4
234.07080	0.2
234.09212	0.5
235.09999	0.6
236.07074	0.3
236.10735	0.6
237.11353	0.3
238.08627	6.2
238.12276	8.5
239.09317	1.5
239.12834	1.3
240.10138	0.4
240.13799	1.3
247.09854	0.4
249.11505	0.3
250.12289	1.1
252.10178	0.6
254.11740	0.2
260.10538	0.3
264.10355	0.4
264.13785	0.3
266.11737	0.5
267.08569	0.2
268.13327	17.9
269.13733	1.5
276.89462	0.2
277.11346	0.3
278.11783	1.0
278.15106	0.4
280.13431	0.2
292.13269	0.5
294.11258	0.7
306.14746	0.3
307.26297	0.7
308.12558	0.2
309.09872	0.2
310.10678	2.0
310.52457	0.2
311.11444	1.6
322.10684	0.8
323.11563	0.4
324.12296	6.9
325.12659	0.6
334.14273	0.7
336.12283	7.6
337.13058	8.1
338.13589	0.7
338.17328	0.4
349.23645	0.6
351.14450	0.3
366.16995	100.0
366.33640	1.2
367.17346	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	366.1703
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
53.03941	0.5
53.46535	0.3
55.01871	0.5
55.05503	1.0
55.40693	0.3
65.81608	0.3
69.56133	0.4
70.04462	0.9
81.07043	0.6
83.01344	3.6
91.05429	0.4
93.07021	0.4
99.04469	5.0
113.51316	0.4
127.03921	6.3
130.06505	0.4
147.38124	0.3
154.06512	1.2
155.07246	0.7
156.08070	1.0
167.07297	3.7
168.08104	6.3
169.08875	4.0
170.09631	0.7
180.08101	1.4
181.08858	1.4
182.06041	0.7
182.09656	9.8
182.11308	0.6
183.06805	0.7
183.10031	0.4
184.07565	2.2
193.08823	0.6
194.09677	0.8
196.07599	4.0
196.11200	2.3
197.08295	2.9
198.09004	0.5
206.09685	0.7
208.07579	1.1
208.11186	0.8
209.08264	0.7
210.09177	6.5
210.12766	10.5
211.09996	0.4
211.13481	2.0
212.07043	1.6
212.14334	1.3
213.07710	0.6
220.07556	0.6
220.11281	0.4
221.08331	0.4
222.09213	0.9
222.12703	0.5
223.09848	0.7
224.10715	1.5
225.07759	0.9
226.08643	5.0
234.09071	1.0
234.12534	0.4
235.10023	0.6
236.10721	1.9
237.11528	0.7
238.08655	4.6
238.12245	7.2
239.09364	1.1
239.12791	1.3
240.09845	0.5
240.13724	1.2
250.08333	0.4
250.12227	1.2
252.10188	1.7
254.11714	0.6
263.09320	0.5
264.10263	1.5
266.08099	0.7
266.11777	0.7
268.13315	15.9
269.13779	0.4
276.35837	0.4
277.19687	0.4
278.11786	1.1
278.15338	0.5
280.09674	2.4
280.12997	0.8
281.10419	1.0
292.13336	0.8
294.11118	0.6
306.14828	1.0
308.12512	0.6
310.10828	1.6
310.17947	0.4
311.11447	1.1
312.12500	0.4
323.15021	0.5
324.12283	5.3
325.12616	0.4
334.14832	0.5
336.12311	6.7
337.13034	6.8
338.13498	0.8
338.17447	7.8
339.17706	0.5
351.14777	0.5
366.16992	100.0
367.17358	10.6
367.20935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12859	2.2
53.03944	5.2
55.01882	7.6
57.03431	5.4
58.23522	2.2
61.02933	5.8
61.17675	2.4
64.14247	2.3
65.80148	2.1
69.03426	33.5
69.33063	12.8
71.04990	6.0
73.02916	4.3
73.56126	2.3
81.03418	19.0
83.08623	2.2
85.02905	100.0
86.03207	2.3
87.00830	39.3
97.02884	31.6
99.04446	12.4
105.01859	62.4
108.04445	3.2
109.02878	29.2
126.05579	2.5
127.03916	70.2
127.91858	2.2
133.80382	2.5
145.04959	40.7
159.02855	13.8
189.04033	4.1
209.11835	5.3
213.03865	4.3
231.05008	24.1
249.06125	6.4
295.11816	6.6
366.21964	2.5
374.53906	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01876	7.1
55.05512	1.2
57.03446	5.5
61.02927	5.6
68.99798	2.1
69.03432	33.8
71.04994	4.1
71.44249	1.0
73.02911	5.4
80.04948	1.0
80.33884	0.9
81.03419	20.8
81.07123	1.1
83.04977	1.4
83.08599	1.6
85.02906	100.0
86.09702	1.1
87.00833	50.9
87.04475	1.4
91.03949	1.2
93.07084	1.1
95.08588	1.5
97.02892	32.2
99.04458	11.1
105.01867	89.7
106.02189	1.1
109.02879	25.5
109.10205	1.3
115.03941	2.7
117.01814	1.2
117.37440	0.9
120.08118	1.2
122.09673	1.2
127.03915	72.7
128.04243	2.8
129.01852	2.0
145.04958	34.3
147.02931	1.6
159.02869	7.5
169.12242	1.1
189.03951	2.7
189.05486	1.3
193.99745	1.1
213.03906	1.9
231.05006	26.1
231.07286	1.5
232.05447	1.3
248.07597	1.2
249.06021	14.1
292.18988	1.5
308.18375	1.3
348.21387	1.5
348.25479	1.1
366.18692	1.9
366.22668	16.8
366.26474	3.1
367.22882	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01876	4.7
55.05515	1.2
57.03444	5.6
57.09443	1.0
60.04491	1.2
61.02933	5.5
67.05495	1.3
68.99784	2.9
69.03432	39.2
71.04997	5.2
73.02909	6.5
81.02959	1.7
81.03415	21.9
81.07046	1.0
83.08600	1.3
85.02908	100.0
86.03259	1.9
87.00832	49.6
88.07627	1.1
91.03934	2.2
91.05510	0.9
95.08610	1.9
97.02894	31.1
98.23457	2.0
99.04465	11.3
105.01871	92.8
106.02224	1.9
107.08622	1.1
108.04494	2.2
109.02880	27.3
111.08057	1.6
115.03911	1.5
117.01888	1.8
119.32771	0.9
120.08109	1.7
126.05513	1.1
127.03921	69.7
128.04245	2.0
129.01817	2.7
136.07445	0.9
136.11203	1.2
139.07613	1.2
140.10725	1.3
145.04961	30.1
151.11200	1.7
159.02884	8.9
162.09128	1.1
162.12720	1.2
169.12242	2.2
171.02910	1.0
189.03912	2.1
205.08485	1.7
213.03960	3.9
231.05003	21.9
249.06062	13.0
278.17365	1.6
292.19064	1.5
318.46762	1.0
331.13922	2.1
366.18460	4.9
366.22705	26.7
366.26324	7.0
367.18915	1.7
367.22937	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01875	5.7
55.05513	1.5
57.03436	5.3
59.05015	0.5
60.04536	0.5
61.02932	6.2
67.05526	0.8
68.99784	2.5
69.03431	36.0
70.03743	0.8
70.06593	1.1
71.01361	1.2
71.04993	4.8
73.02921	5.3
76.47128	0.5
79.05507	0.6
81.03419	20.1
81.07025	0.9
82.06615	0.6
83.01370	0.7
83.08614	1.2
85.02907	100.0
86.03247	1.6
86.17510	0.4
87.00832	49.1
87.04480	1.0
88.01153	0.8
88.07638	1.4
91.03952	1.3
97.02895	31.1
99.04457	12.6
99.05076	0.8
101.02400	1.0
103.03930	0.9
104.48130	0.6
105.01870	87.8
105.07013	0.8
106.02193	1.5
107.08578	0.6
108.04488	1.4
109.02882	27.9
110.03188	0.8
115.03934	2.1
117.01869	1.6
126.05502	1.1
127.03918	67.7
128.04274	2.0
129.01839	2.2
133.10110	1.1
139.07545	0.6
145.04959	37.3
146.05336	0.8
147.02887	1.9
151.11092	0.7
159.02888	11.4
169.12247	1.2
171.02931	0.8
177.03999	1.3
187.07669	0.7
189.03960	3.0
205.08510	0.9
213.03944	3.6
215.46208	0.6
222.11290	1.2
227.12968	0.7
230.06598	0.8
231.05005	26.8
232.05389	1.3
248.07672	0.8
249.06058	12.6
250.06401	0.5
278.17426	0.8
308.18729	0.6
313.12708	0.6
322.08844	0.5
331.13858	0.8
348.21637	0.7
366.18820	0.9
366.22705	16.3
366.26370	1.3
367.18970	0.6
367.23163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.0
55.01875	7.9
55.05506	3.5
57.03438	7.2
60.04532	0.9
60.42411	0.8
61.02931	5.2
68.99787	1.9
69.03431	36.8
69.15844	1.3
69.16245	3.7
69.52036	0.7
71.01369	1.1
71.04995	5.0
73.02930	5.7
81.03422	26.3
81.07059	1.0
83.01338	1.5
83.04966	1.0
83.08625	2.8
85.02907	100.0
86.03237	1.9
87.00831	42.0
87.04469	1.4
91.03963	1.1
95.08609	1.1
97.02892	40.2
98.03222	1.3
99.04461	16.8
99.05074	1.1
105.01867	71.2
106.02190	1.3
108.04515	2.1
109.02881	24.4
111.08064	2.3
115.03949	3.0
117.01857	2.2
121.83358	1.0
126.05515	1.1
127.03915	79.2
128.04282	1.5
129.01857	3.5
131.08585	1.0
131.13171	0.8
135.08188	0.9
139.07582	2.1
141.09077	1.4
145.04967	47.0
147.02908	2.5
151.07547	2.0
159.02896	13.8
171.02913	1.1
176.88727	0.8
177.03912	0.9
189.03926	2.4
191.10742	1.1
209.11752	3.9
213.03952	2.5
230.06418	0.9
231.04990	29.1
248.07651	1.0
249.06065	9.5
269.13889	1.7
295.11911	5.7
313.12845	1.2
343.01425	0.9
366.17944	1.2
366.22302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85562	0.3
55.05508	0.9
56.05020	0.3
57.07074	0.4
67.05515	0.9
68.05031	0.5
69.03430	3.0
69.07064	0.7
69.69014	0.3
69.69350	1.0
70.06590	0.4
71.04985	0.5
72.08168	0.5
76.43700	0.2
77.51923	0.3
79.05508	0.7
81.07059	1.6
82.06589	0.6
83.04939	0.3
83.07360	3.6
83.08623	0.7
85.02905	1.5
86.06062	0.4
86.09721	0.3
87.00826	0.4
87.04480	0.4
91.05482	0.5
93.07053	1.0
95.04939	0.7
95.08604	1.0
96.08154	1.4
97.02896	0.4
97.06544	0.7
98.06060	0.4
101.02409	0.3
105.07050	0.5
107.08615	0.9
108.08137	0.5
109.02870	0.4
109.06554	0.8
109.10169	0.5
111.08057	0.7
115.03953	1.0
119.08591	0.9
120.08090	0.4
121.06521	0.6
121.10174	0.5
122.09693	0.3
122.68964	0.3
123.08080	0.6
123.11699	0.4
124.07669	0.3
124.11254	0.9
125.05988	0.6
125.09644	0.3
125.12017	0.4
126.12825	0.7
127.03937	0.4
127.06367	0.3
131.08597	0.5
133.06497	0.5
133.10075	0.4
134.09612	0.3
135.08051	0.4
136.07614	0.4
136.11197	0.5
137.09595	1.5
138.12784	1.2
140.07120	0.8
145.10152	0.4
147.08063	1.2
147.11638	0.3
149.09566	0.4
151.11208	0.8
152.10765	0.4
154.12292	0.7
159.08148	0.3
160.93752	0.3
161.13258	0.4
164.07014	0.4
164.14398	0.6
166.08623	0.3
169.08629	0.8
169.12329	0.4
170.11801	1.2
173.09709	0.4
178.15968	0.4
180.10202	0.3
186.75381	0.3
187.09679	0.6
189.12781	0.5
190.12451	0.3
194.11780	4.2
194.15372	0.5
203.14366	0.4
204.13957	0.3
205.15894	2.8
206.15434	0.4
208.13295	0.6
209.14058	0.3
214.15669	0.3
215.14278	0.6
217.15907	0.4
220.51750	0.3
222.14934	0.3
232.16968	0.8
233.15329	1.3
234.15242	0.3
238.98895	0.3
248.09148	0.3
250.14331	0.3
250.18065	1.7
264.27319	0.3
274.18091	0.5
284.70691	0.3
292.19055	10.0
293.19528	0.8
306.20776	0.3
320.22415	0.5
322.20050	0.4
331.19070	0.4
338.23203	2.4
348.21817	0.7
366.22766	100.0
367.18713	0.6
367.23065	6.3
381.50217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.07066	0.4
60.04507	0.4
61.59205	0.4
67.05505	0.7
68.05013	0.4
69.03434	3.0
69.07073	0.6
70.06574	0.7
70.59944	0.7
79.05493	0.5
81.07063	1.6
82.06580	0.5
83.07361	1.9
84.04499	0.6
84.08141	0.7
85.02875	0.7
85.06508	0.4
85.63602	0.3
86.04069	0.4
86.06054	0.8
86.09714	2.4
91.05465	1.0
93.07054	0.5
95.08610	0.6
96.08120	1.4
97.06522	0.6
98.06062	0.6
105.07012	1.1
107.08562	0.5
109.06496	0.4
111.08110	0.6
115.03915	0.8
119.08578	0.9
120.08092	1.0
121.06502	0.5
124.11236	1.0
125.09641	0.5
126.12802	0.5
127.06269	0.5
133.06447	0.4
133.10170	0.4
134.09715	0.3
136.07582	0.4
137.09590	0.9
138.12804	1.8
140.07057	0.4
145.10100	0.7
147.08055	1.6
149.09543	0.4
150.12788	0.5
152.10643	0.4
154.12277	0.5
157.13377	0.9
159.07979	0.5
161.09612	0.4
164.14362	0.5
166.12361	0.4
166.53157	0.3
170.11786	1.0
185.12955	0.5
189.12753	0.5
194.11765	1.7
194.15363	0.5
204.17534	0.4
205.15874	2.9
206.15622	0.6
208.13350	0.5
215.11855	1.1
215.14241	0.8
232.16966	1.1
233.15207	1.7
234.09834	0.5
234.14679	0.4
246.18622	0.4
250.18013	3.0
274.17993	1.1
292.19049	31.1
293.19476	1.6
320.22107	1.2
338.23331	2.1
348.21698	1.4
349.16971	0.4
352.12701	0.4
366.22739	100.0
367.10101	1.1
367.18640	3.1
367.23083	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	366.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.07065	0.6
65.03934	0.2
67.05505	6.5
68.05008	0.3
68.05821	0.2
69.03423	4.1
69.07066	1.8
69.19810	0.7
69.20216	0.4
71.20322	0.2
79.05479	2.0
81.07055	7.0
83.05001	0.3
83.08612	0.7
85.10201	0.2
86.06065	100.0
87.04464	13.3
87.06388	1.6
88.04773	0.4
89.81702	0.2
91.05482	0.8
93.07044	1.7
95.04945	0.4
95.08024	0.4
95.08604	5.3
97.06511	0.4
97.10178	0.3
104.07102	20.5
105.04478	0.2
105.07006	0.7
107.08590	0.9
109.06455	0.2
109.10145	1.9
117.04462	0.2
119.08599	0.5
121.10150	0.8
123.11707	1.0
133.10141	0.6
135.11671	0.4
137.13239	0.3
147.11661	0.4
149.13232	0.2
161.13275	0.5
163.14818	0.4
175.14809	0.2
206.66222	0.2
245.22707	0.8
263.23654	1.5
307.26340	0.7
348.28909	0.3
366.29904	4.3
366.33801	0.9
367.30380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
56.74095	1.8
57.07076	35.7
59.04992	2.0
67.05505	1.6
69.07072	2.3
69.83669	6.3
71.08632	25.2
73.06540	2.4
75.81416	1.5
81.07059	2.5
83.13210	1.6
83.88904	1.7
85.10176	19.5
87.04482	2.5
89.06033	100.0
90.06398	1.9
93.07065	2.3
95.08591	2.6
97.10149	3.0
98.22718	1.9
99.11726	4.6
107.07066	6.3
127.49804	1.6
130.08659	2.0
133.08603	42.2
146.77840	1.7
151.09662	4.7
151.40536	1.6
154.06644	1.5
155.18013	2.0
177.11223	11.7
177.81793	1.8
195.12280	58.4
207.14688	1.9
209.46869	1.6
243.23225	4.0
280.05222	2.1
291.75598	1.7
307.26071	2.0
349.29468	46.6
350.29791	3.8
366.11148	2.9
366.15472	3.1
366.30112	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	366.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05513	20.9
57.03430	0.8
57.07065	2.5
60.08172	2.9
65.03940	2.2
67.05505	56.0
68.05827	0.8
69.07066	26.4
69.11768	2.5
69.12184	1.3
70.07403	0.7
71.04999	1.6
71.08631	2.0
73.02914	2.6
79.05499	10.4
81.07057	58.7
83.04956	1.5
83.08619	9.9
84.52569	0.6
85.06533	1.0
85.92971	0.6
86.09686	1.7
86.42499	0.7
91.05481	3.8
91.93459	0.6
93.07056	8.6
95.04979	1.3
95.08606	41.2
96.08918	1.3
97.06534	1.3
97.10164	2.6
98.98497	0.8
99.04450	3.2
99.08076	0.8
105.07020	3.1
107.08590	4.6
109.06493	0.7
109.10162	13.7
119.08578	2.4
121.10134	4.1
123.08081	1.3
123.11707	4.7
125.09632	1.0
131.08626	1.4
133.10149	2.2
135.11693	1.9
137.13242	2.2
147.11700	1.6
149.13254	0.7
159.11609	0.6
163.14909	0.8
165.64468	0.5
173.13283	1.2
257.61816	0.6
307.26306	71.5
308.26669	4.9
331.26416	0.9
349.27307	1.7
366.33664	100.0
367.34036	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	367.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93427	2.5
56.96558	8.9
59.89521	2.4
60.95847	5.3
61.72022	2.1
63.23440	2.1
70.06590	3.1
70.62354	4.2
98.97587	5.6
101.00886	3.2
103.00642	8.3
104.10744	7.4
119.01894	3.3
121.01681	9.8
127.08526	2.3
133.01625	6.1
144.98126	2.3
145.01601	4.7
147.03299	2.6
155.00150	3.0
155.03644	3.9
157.01599	10.8
157.03568	2.6
158.99501	4.6
159.03210	3.0
163.02719	5.5
173.01202	6.2
173.04836	8.9
175.02661	13.6
177.00513	18.2
177.04262	6.1
180.68918	2.6
185.04709	7.3
187.02719	3.2
191.02281	9.4
195.01540	12.8
199.04468	2.8
201.04253	21.9
203.05507	7.5
205.00011	4.7
205.03793	3.3
205.05658	3.7
213.04285	6.4
214.03545	2.3
217.05574	3.1
219.01805	5.8
219.05302	22.0
223.01057	7.8
229.03783	3.7
231.00380	2.7
231.05336	8.9
241.02200	4.4
247.04857	35.3
259.04858	10.4
265.02121	4.6
265.05878	12.9
277.05981	8.2
278.09302	2.5
289.05951	13.9
294.53592	5.0
295.06973	5.2
303.03748	4.0
307.08752	3.7
311.02939	3.6
319.07245	7.2
321.01923	2.9
329.03885	4.6
345.04962	3.5
349.04413	6.3
349.08426	9.2
367.02753	30.2
367.10156	100.0
368.03137	3.1
368.10379	5.6
368.16943	5.7
368.21033	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	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01879	1.4
55.05508	2.2
57.03444	3.7
57.07072	2.0
61.02927	3.6
67.05499	1.4
69.03062	1.2
69.03432	19.2
70.06576	0.7
71.04986	2.2
73.02916	2.2
73.06565	4.8
79.05492	0.6
81.03422	8.1
81.07064	2.1
85.02909	64.7
85.06537	1.6
86.03214	1.2
87.00821	0.6
87.04472	26.6
91.03971	2.1
93.07054	1.1
95.04987	1.0
95.08592	1.2
96.08185	0.6
97.02895	15.0
97.06519	0.8
99.04462	4.4
101.02393	0.9
101.06021	3.6
102.92641	0.6
103.03941	1.9
105.01868	0.6
105.07053	1.1
107.08614	0.8
109.02876	7.9
109.10121	1.0
111.04443	0.7
111.08092	0.9
115.03934	100.0
116.04266	2.4
117.56264	0.5
119.08617	0.7
125.33942	0.6
126.52392	0.5
127.03922	33.5
128.04250	1.5
133.04973	22.0
136.11234	1.1
145.04967	26.8
146.05275	1.1
157.04932	1.2
159.10161	2.4
163.06030	5.7
177.11221	0.5
181.08594	0.9
199.09734	0.8
217.10513	0.6
259.08163	6.4
277.09183	7.1
292.19229	1.1
293.19495	3.9
309.11481	0.7
313.95215	0.5
323.20486	3.7
331.13773	2.0
341.93686	0.6
367.15387	0.9
367.19083	1.8
367.23077	20.9
368.20267	1.8
368.24191	1.9
368.37994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01861	1.4
55.05508	1.8
56.85976	1.1
57.03437	5.3
61.02916	4.2
64.95972	1.0
65.25716	1.0
66.08498	1.1
67.05483	2.0
69.03432	23.0
69.07093	1.2
70.06585	1.8
71.04990	4.9
72.08149	2.1
73.02920	2.5
73.06551	5.2
74.06060	1.2
77.15379	1.1
79.05493	1.6
81.03424	11.4
81.07059	2.1
85.02905	63.0
85.06535	2.7
86.03265	1.4
86.09698	1.8
87.04464	25.4
91.03982	1.6
91.05478	4.6
93.07078	1.5
97.02894	15.3
97.06504	1.2
98.22610	2.1
99.04455	6.2
101.02440	1.0
101.06030	2.6
103.03921	1.3
105.07050	1.4
109.02875	9.7
109.06550	1.3
110.07172	2.3
115.03931	100.0
116.04276	2.4
120.08097	2.1
122.09666	1.2
127.03920	32.1
128.04247	1.6
131.06096	1.2
133.04974	20.1
133.10107	2.1
136.06221	1.9
136.07582	11.6
145.04964	28.2
146.06050	2.9
150.09093	1.2
151.11182	2.0
163.06058	5.0
172.17366	1.2
173.12877	1.3
174.13258	1.7
181.08545	1.4
187.13304	3.4
188.03383	3.7
188.07083	4.2
205.09752	2.4
218.10295	2.9
228.85503	1.2
236.11453	5.1
259.08078	6.6
277.09164	7.9
292.19012	3.0
293.19424	11.5
310.20294	1.5
324.21597	2.5
331.13956	1.4
349.21719	1.4
350.16003	3.9
367.18579	2.7
367.23083	52.7
367.27658	2.9
368.15930	3.5
368.20724	6.4
368.24875	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	367.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92520	2.5
55.01879	4.5
55.05517	9.8
56.96560	12.9
57.03439	6.6
59.78434	2.3
62.86181	2.5
64.58648	2.7
67.05495	15.6
69.03439	4.6
69.07085	7.4
70.06589	3.6
70.18003	5.8
70.18333	4.0
72.08157	3.6
79.05495	15.5
81.07059	22.7
83.08630	4.4
91.05468	13.1
93.07068	14.2
95.04963	5.8
95.08598	13.1
97.06547	3.9
98.23418	3.1
99.08102	2.9
105.07040	12.2
107.04968	5.4
107.08605	7.3
109.06531	4.7
109.10179	5.9
117.07008	5.4
119.08593	7.3
121.10165	3.7
125.09592	3.1
130.08029	2.7
131.08562	6.1
133.10158	3.5
135.08014	3.4
135.11760	3.5
136.11220	2.7
145.10172	4.0
147.11659	8.4
149.09592	3.8
159.11787	4.7
163.11156	4.1
180.28445	2.7
199.06549	4.3
209.11517	3.3
213.08022	3.3
213.11546	5.9
217.07498	4.2
229.07455	3.9
231.09128	3.5
241.07492	8.3
242.15404	5.1
253.07434	4.8
259.08578	13.7
269.17572	5.0
275.20056	19.5
293.21164	6.6
331.15726	3.5
335.09155	3.8
349.16760	20.9
349.23703	6.1
367.21307	100.0
367.24881	8.0
368.17676	13.3
385.18970	10.4
386.62573	3.6
390.19611	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	20.0
69.03431	4.3
70.06589	12.1
72.08163	8.7
79.05492	4.3
81.07058	13.3
84.08150	7.3
91.05478	8.2
93.07076	4.1
93.90498	3.3
94.73020	2.9
95.04995	5.2
95.06684	4.2
128.98660	4.2
181.94833	3.4
199.06444	5.6
213.08014	6.1
217.07500	4.0
225.08089	3.5
229.07452	12.3
231.08905	7.2
232.76241	3.3
241.11053	5.3
243.09059	4.5
244.40628	3.5
247.08636	3.8
254.77135	4.0
255.09119	7.4
259.12085	6.7
269.10614	33.3
273.10022	4.2
287.11649	11.0
297.10107	4.2
321.20288	5.5
331.15860	9.9
336.18103	4.3
349.16840	14.6
367.12122	7.3
367.17685	74.0
367.21021	100.0
368.17639	7.2
368.21524	7.0
385.18890	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	367.2459
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
53.03961	0.6
53.66283	0.5
55.01871	1.3
55.05507	3.6
57.03428	2.1
67.05507	5.8
69.03426	0.8
69.07076	4.3
69.93724	1.6
70.06612	0.7
71.08627	2.6
79.05490	4.2
81.07063	9.5
83.04990	1.0
83.08593	1.3
91.05486	3.5
91.76215	0.6
93.07062	3.4
95.04937	1.3
95.08608	3.4
97.06532	0.7
97.10192	1.1
99.08091	1.4
100.94366	0.5
105.07027	2.6
107.08588	2.9
109.06510	1.2
109.10180	1.4
111.08085	0.7
117.07022	0.7
119.08590	1.9
121.10148	1.7
123.08051	0.9
123.11732	0.6
125.09653	0.8
131.08539	0.8
133.10152	1.9
135.08070	0.8
135.11679	1.1
139.11057	0.7
141.99228	0.6
145.10175	0.9
147.11681	1.4
149.13211	0.7
151.11195	1.1
159.11694	0.9
159.69670	0.5
160.12270	0.5
171.93549	0.6
172.94310	0.6
177.12785	0.8
189.11211	0.9
257.18982	0.8
275.20032	4.5
293.21115	9.4
294.21442	0.6
349.23770	0.6
367.24576	100.0
368.17664	0.9
368.24942	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01877	18.9
55.05510	31.8
57.03440	22.3
57.07058	2.4
59.04994	3.8
61.42654	1.8
65.03947	2.7
67.05506	68.3
69.03442	5.7
69.07069	36.5
71.04997	5.1
79.05495	55.9
79.05949	3.3
81.03429	5.7
81.07058	100.0
82.07360	2.5
83.04969	11.9
83.08624	14.6
85.06541	5.1
91.05484	50.0
93.07047	51.7
95.04967	18.4
95.08606	45.1
97.06531	24.4
97.10175	8.3
98.23499	5.5
99.08105	6.3
101.06085	2.0
105.04551	2.4
105.07041	45.6
107.04964	14.8
107.08597	38.8
109.06529	13.1
109.10163	23.2
111.04446	2.1
111.08089	7.8
111.67370	1.8
117.07019	14.7
118.13786	1.9
119.08593	41.1
120.08906	2.9
121.06532	6.9
121.10143	23.4
122.10438	2.4
123.08077	10.2
123.11724	12.0
125.09640	10.4
129.07045	5.8
131.08577	20.8
133.10129	33.5
135.08055	10.2
135.11690	15.1
137.09636	7.9
139.11218	2.7
141.06989	3.4
143.08589	5.2
145.10146	26.6
147.11668	24.3
149.09621	22.2
149.13278	8.1
151.03880	1.9
151.11174	5.7
155.08514	3.3
157.10141	6.2
159.11716	17.6
161.09642	2.3
161.13287	5.5
163.11142	13.0
165.12787	6.6
171.10214	6.6
171.11745	6.0
173.13293	6.8
175.11240	3.2
177.12753	6.6
179.14305	2.7
183.11659	2.9
185.13309	3.8
187.14909	2.3
189.11287	6.0
195.13919	2.8
197.13249	3.3
198.31245	2.0
201.12791	2.5
205.12201	2.3
222.41786	2.0
228.55405	1.9
229.19519	5.7
239.17987	5.5
245.13812	3.1
247.20520	9.6
251.20161	2.9
253.18108	2.3
257.18997	11.9
265.21765	2.6
267.15787	2.8
269.17599	4.6
275.20071	79.9
276.20486	5.3
293.21060	11.2
318.16959	2.4
349.23734	36.3
350.24112	3.8
367.19522	2.3
367.24802	48.5
368.18143	2.7
368.25085	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.26775	1.0
55.01861	3.5
55.05513	19.9
57.03442	8.3
57.07060	2.5
59.04990	1.3
62.61154	1.1
67.05506	14.9
69.03422	3.6
69.07068	13.8
69.48450	5.2
71.04993	1.3
71.08633	37.6
72.04131	1.0
74.17923	1.1
76.68742	1.0
79.05492	12.6
81.03432	5.4
81.07056	13.3
83.01376	1.7
83.04983	4.8
83.08623	7.1
91.05482	6.2
93.07053	10.8
95.04971	6.8
95.08596	7.0
97.02938	1.1
97.06554	1.5
97.10173	9.3
99.04467	1.3
99.08097	27.0
105.07013	5.6
107.04971	3.0
107.08585	9.0
109.06543	2.1
109.10164	3.7
109.12963	1.1
111.11774	1.1
117.07011	1.3
119.08589	3.1
121.06490	3.1
121.10162	3.6
123.08059	2.0
125.09624	7.4
128.66820	1.0
131.08580	2.5
133.10146	2.5
135.08107	1.3
135.11739	1.8
137.09686	1.3
139.11130	1.6
145.10153	2.0
145.88821	1.1
149.09662	1.7
149.13246	2.8
153.09137	1.3
159.11642	1.6
163.11208	1.3
167.10684	2.0
171.10251	1.6
171.11653	1.2
175.11089	1.1
177.12779	2.6
189.11232	6.0
193.12196	1.6
195.13774	1.7
205.19527	1.7
209.11513	1.3
210.09132	1.6
211.13135	1.3
225.11131	1.2
236.10818	1.3
237.10890	1.8
237.14679	1.1
239.12672	1.5
253.10521	1.3
264.09924	1.3
265.21823	1.3
269.13690	2.6
275.20078	7.3
281.10092	2.9
293.21106	100.0
294.21509	5.5
307.15326	1.2
311.18103	1.3
322.27502	1.9
325.12643	1.8
331.36264	1.2
338.13367	1.5
338.17169	1.5
339.17847	13.3
340.18008	1.4
350.26825	2.6
361.41541	1.2
367.17239	28.4
367.20966	10.3
367.24796	34.0
368.17499	3.3
368.25192	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	2.2
55.05514	10.9
57.03439	4.0
57.07029	1.4
59.04971	1.2
67.05507	10.4
69.03394	1.8
69.07069	12.8
71.04987	0.9
71.08632	18.1
76.53270	0.5
79.05489	8.9
81.03374	1.6
81.07053	8.9
83.01340	10.5
83.04981	2.6
83.08613	3.2
85.06521	1.2
85.31161	0.5
91.05470	3.9
93.07043	6.7
94.06553	0.7
95.04971	2.7
95.08109	0.5
95.08595	5.7
97.06490	1.6
97.09593	0.6
97.10162	5.4
98.22675	1.0
99.04414	0.9
99.08095	13.2
105.07046	2.9
107.04903	1.6
107.08600	5.6
109.06464	1.5
109.10141	3.1
111.04379	0.6
111.08044	0.8
111.19520	0.5
117.06995	1.6
118.06480	0.7
119.08602	2.3
121.06458	1.9
121.10175	3.3
123.08031	1.2
123.11648	0.7
125.09615	3.9
129.06982	1.0
130.06471	1.1
131.08516	1.7
133.06497	0.6
133.10167	2.6
135.08008	1.0
135.11635	1.2
136.11183	1.6
139.11113	1.2
143.08565	0.6
144.08075	1.5
145.10088	1.7
147.11639	1.1
149.09631	0.6
149.13187	2.3
151.11160	0.8
157.10112	0.9
159.11665	1.4
161.13226	0.8
162.12759	0.9
163.11140	1.1
163.14853	0.6
164.11966	0.6
164.45062	0.5
165.12732	1.0
167.10651	2.1
168.08060	1.0
170.09596	1.5
171.10263	1.4
173.13245	1.2
177.12703	1.5
179.10658	0.8
180.08000	0.7
181.08849	0.8
182.09558	1.3
183.11772	0.6
184.07539	1.0
184.11189	0.6
188.14334	0.5
189.11275	2.9
194.09637	1.5
195.10344	2.0
195.13832	0.6
196.11168	1.8
198.09123	1.4
198.12735	1.2
199.09843	0.6
200.10721	0.7
203.02715	0.5
208.11227	1.4
209.11937	0.8
210.09071	1.5
210.12726	4.4
212.10638	1.7
213.14674	0.5
214.12445	0.7
214.15904	2.0
220.11270	0.6
222.09097	1.2
222.12639	0.7
223.09845	1.5
224.10712	4.1
225.11453	1.5
226.08633	1.1
226.12282	8.3
226.15869	0.9
227.13002	1.2
229.19426	0.6
236.10608	0.9
237.11491	1.2
237.15025	0.9
238.12248	33.4
238.16022	1.3
239.13080	3.3
240.10274	3.0
240.13672	0.7
240.17361	0.9
242.11726	0.6
242.15378	5.8
243.12457	1.2
243.21104	1.6
250.08675	0.8
251.09271	0.6
252.10118	1.4
252.13878	0.9
252.17477	3.2
253.18166	1.0
254.11732	10.1
254.15390	1.2
255.12506	2.1
256.13232	1.7
261.22256	0.8
264.10272	0.7
264.17538	1.1
265.10983	1.0
266.11734	4.3
266.15060	0.9
267.08951	0.9
267.12607	0.8
267.16061	0.7
268.09674	1.7
268.13266	0.7
268.16785	0.9
269.14865	0.6
269.17755	4.7
270.14908	3.7
275.20081	5.9
280.13751	1.2
280.16940	7.1
281.14789	0.9
281.17715	9.8
282.11264	19.8
282.14761	2.3
282.18106	4.0
283.11908	2.6
284.16574	2.0
284.20068	2.0
285.17166	1.6
292.09482	0.9
293.21088	63.5
294.21481	3.6
296.12921	0.7
296.16565	1.1
296.20212	1.4
297.13919	1.0
297.17224	2.8
308.16452	4.4
309.17285	1.4
310.10846	0.9
310.14346	2.7
310.17978	5.6
312.16141	0.5
312.19531	10.0
314.17517	0.9
319.99475	0.7
324.16016	0.5
324.19562	1.8
325.16718	5.6
336.15930	2.2
340.19061	84.1
367.24814	23.9
368.18552	100.0
368.31082	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91180	2.4
53.03943	4.9
54.33940	2.2
55.01868	9.5
55.05511	29.7
56.19515	2.7
57.03436	14.4
60.41607	2.1
65.03936	2.7
67.05508	51.4
69.03429	8.0
69.07065	21.2
71.04982	4.6
71.18483	2.5
79.05499	54.1
81.03428	6.0
81.07057	100.0
83.04980	10.6
83.08624	13.6
85.06534	5.4
86.20922	2.3
91.05478	38.9
93.07045	38.3
95.04959	14.7
95.08610	39.7
97.06547	16.3
97.10144	3.5
98.22696	3.8
99.08082	3.3
105.07031	40.3
106.07349	2.5
107.04950	8.3
107.08591	29.1
109.06541	12.2
109.10167	18.5
110.10490	2.5
111.08097	6.6
117.07046	11.4
119.08593	34.5
121.06503	7.2
121.10133	15.0
123.08064	7.7
123.11708	10.0
125.09647	3.4
129.06976	4.7
131.08571	22.7
133.10126	27.3
135.08047	6.0
135.11699	9.3
137.09613	5.2
143.08565	3.1
145.06474	2.5
145.10130	18.7
147.08134	2.7
147.11674	18.8
149.09608	10.2
149.13234	5.5
151.11147	5.2
157.10132	6.4
159.11722	10.5
161.09644	3.5
161.13263	4.7
163.11194	7.2
165.12804	7.7
166.24736	2.7
171.11646	4.8
173.13300	6.0
176.54172	2.4
177.12721	5.5
186.29370	2.5
190.23857	2.1
193.12172	2.8
195.13765	4.2
229.19366	3.5
235.16800	3.9
244.99644	2.6
247.20638	8.8
253.14635	2.8
257.18964	12.8
267.15945	3.0
269.17462	9.8
275.20059	58.1
276.20508	4.2
276.57693	2.2
293.21097	7.2
332.61932	2.7
349.23819	18.6
350.23990	2.4
367.24796	58.0
367.29050	5.2
368.18933	5.1
368.25015	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03945	9.0
55.01874	25.6
55.05513	44.9
56.69888	1.8
57.03178	2.2
57.03441	26.0
57.07080	8.8
65.03941	6.4
67.05505	100.0
68.05810	2.0
69.03420	6.1
69.07065	27.0
71.04984	7.4
71.08627	13.6
79.05490	60.5
81.03424	20.6
81.07056	94.3
83.04986	17.4
83.08624	20.3
85.06524	11.7
91.05479	92.2
93.07043	52.6
94.07348	2.1
95.04966	29.1
95.08608	40.9
97.02874	4.3
97.06540	13.6
97.10176	8.2
99.04465	2.1
99.08088	11.3
105.07028	66.7
106.07420	2.4
107.04955	18.4
107.08590	49.2
109.06514	12.3
109.10155	56.9
110.10474	2.4
111.04432	3.3
111.08064	8.4
113.05980	1.9
113.09688	2.3
117.06998	9.9
119.08566	22.0
121.06512	7.6
121.10147	14.9
123.04456	2.1
123.08061	13.1
123.11705	13.0
125.09635	16.8
127.07565	4.7
128.06244	2.6
129.06958	2.3
131.08569	19.0
131.35715	1.5
133.06471	2.4
133.10127	85.9
134.10471	3.9
135.08076	8.2
135.11711	15.1
137.09604	19.1
139.11215	3.2
143.08525	2.1
145.06485	2.0
145.10127	12.4
147.11676	10.5
149.09579	10.9
149.13249	3.9
151.11183	66.3
153.12735	3.4
157.10185	2.1
159.11678	6.2
161.09602	3.5
161.13330	3.4
163.11191	17.2
163.14856	2.7
165.09114	4.6
165.12753	3.7
169.12231	10.0
173.09648	3.0
173.13312	4.0
175.11183	1.8
177.12755	8.7
179.10733	5.4
182.12456	1.8
187.14830	2.1
191.14203	2.1
195.13832	4.1
197.13214	2.4
199.13382	2.0
203.14255	2.0
205.12184	2.4
207.13870	2.1
209.11691	3.9
215.12773	2.4
229.19589	3.9
234.84785	1.8
247.20560	9.5
253.12006	1.7
253.14227	8.9
257.19019	5.9
265.21683	2.3
267.16016	2.9
275.20065	48.5
293.20984	14.2
295.99420	2.0
349.23712	13.5
367.24759	76.3
368.25085	7.3
368.31299	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
53.03944	4.0
55.01870	2.4
55.05307	1.9
55.05516	25.3
55.69166	1.4
57.03444	1.8
57.07079	10.5
59.04993	2.5
65.03928	4.8
67.05508	47.0
69.03433	8.4
69.07073	25.2
71.04987	8.0
77.03922	3.4
79.05495	38.4
81.07056	61.5
83.04977	4.8
83.08607	10.2
85.06536	7.7
91.05480	61.8
92.50822	1.7
93.07047	81.7
94.07382	2.3
95.04971	42.1
95.08607	64.2
96.08942	2.3
97.06542	13.0
97.10139	2.4
98.23520	3.9
98.98892	1.9
99.08107	3.2
103.05458	2.9
105.04510	3.8
105.07030	93.9
106.07296	2.2
107.04950	2.6
107.08594	61.3
109.06520	17.6
109.10164	42.4
111.08084	4.5
115.05450	7.0
116.06238	4.2
117.07035	19.5
118.07723	2.2
119.08579	100.0
120.08854	2.8
121.06479	11.7
121.10142	52.1
122.10484	3.1
123.08068	7.4
123.11703	11.9
125.09582	1.9
128.06213	13.3
129.06990	20.3
130.07840	9.1
131.08565	57.9
132.09370	1.9
133.06529	3.0
133.10127	62.0
135.08041	15.0
135.11705	16.7
136.11229	1.8
137.09615	6.5
138.44460	1.9
141.06990	6.8
142.07791	25.7
143.08559	38.7
144.09378	10.9
145.06516	2.9
145.10126	66.7
146.07292	8.3
146.10603	2.7
147.08072	10.7
147.11687	19.6
149.09634	13.5
149.13248	5.3
153.07024	2.7
154.07677	3.2
155.08531	12.3
156.09355	15.9
157.10130	50.8
158.10814	7.8
159.08075	4.9
159.11699	38.1
161.09619	39.4
161.13272	11.5
163.11160	4.1
163.14827	2.2
165.07002	3.7
167.08580	6.0
168.09338	5.5
169.10147	17.3
170.10857	7.5
171.08131	1.8
171.11674	24.5
172.12369	2.3
173.09663	4.3
173.13266	26.5
175.11194	4.7
175.14786	14.4
177.12648	1.8
179.08525	9.5
180.09328	5.8
181.10170	8.6
182.10881	6.8
183.11691	17.6
184.12404	4.6
185.09662	4.1
185.13226	12.4
186.13968	3.1
187.11118	2.6
187.14804	8.7
189.16414	2.5
193.10143	4.2
194.10881	7.6
195.11705	12.4
196.12463	6.0
197.13223	14.3
198.13965	3.1
199.11217	3.5
199.14836	12.7
199.24446	1.7
201.12749	4.2
201.16348	4.8
206.10887	2.2
207.11688	5.0
208.12514	3.0
209.13258	16.4
210.13998	3.4
211.14786	7.5
213.12634	3.0
213.16400	3.3
223.14757	4.3
224.15605	2.4
225.16356	5.4
227.14290	11.7
233.13342	2.4
235.14832	2.9
237.16388	3.9
239.18022	5.8
241.15930	1.9
247.14798	2.1
249.16498	2.8
253.19327	3.1
255.17459	3.6
257.19058	2.4
265.19373	2.2
269.19101	2.9
349.25238	6.2
349.31067	2.3
367.18872	2.1
367.26126	8.8
368.17740	2.2
368.42590	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58944	8.6
55.05513	31.7
57.07085	10.9
59.05006	15.4
67.05508	43.1
69.03445	9.9
69.07084	16.9
70.40885	9.6
71.04970	14.4
78.53112	8.8
79.05502	36.9
81.07056	64.9
83.08629	25.5
85.06551	33.3
90.52423	8.6
91.05486	64.9
93.07050	81.9
94.42396	9.8
94.57736	8.6
95.04984	37.7
95.08608	65.9
97.06545	19.5
99.33666	9.3
105.07028	83.3
107.08598	61.6
109.06538	15.3
109.10168	47.9
116.76414	9.2
117.07024	13.0
119.08589	100.0
121.06539	15.1
121.10136	59.2
123.11734	17.3
129.07059	19.8
130.07796	17.1
131.08598	61.4
133.10143	61.3
135.08075	21.2
135.11696	14.5
137.09593	14.6
142.07797	18.1
143.08591	30.3
144.09355	13.5
145.10139	62.0
147.08075	13.4
147.11710	21.5
149.09639	21.6
155.08597	12.0
156.09323	17.8
157.10153	60.9
159.08249	16.9
159.11716	44.4
161.09621	36.5
167.08644	11.6
169.10095	29.5
171.11765	32.8
173.13284	39.1
175.11145	12.1
175.14894	22.0
183.11795	22.1
185.13286	20.1
195.11783	16.1
197.13229	15.3
209.13344	13.3
222.47862	9.8
227.14314	18.4
349.25214	11.5
367.26270	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	368.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03416	1.3
61.02922	1.1
69.03433	3.2
69.87165	0.5
69.87514	0.4
71.04983	0.7
73.02901	1.0
75.64420	0.3
81.03435	1.8
82.06567	0.4
83.05001	0.4
85.02902	9.5
87.04446	1.6
91.03951	0.7
91.05466	0.4
97.02893	2.5
99.04477	0.5
101.06012	0.6
109.02892	1.3
115.03934	4.9
127.03934	4.7
133.04955	2.5
136.06184	100.0
137.06636	1.9
145.02872	0.5
145.04962	6.5
147.12244	0.3
163.06013	1.0
177.05498	1.1
189.07802	0.5
206.10361	6.0
218.10358	2.8
236.11418	40.5
237.11743	1.7
259.05600	0.3
259.08057	1.5
268.10413	7.6
277.09235	1.3
324.21732	1.8
336.96109	0.3
368.15695	18.0
368.20325	1.3
368.24454	5.3
369.15982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1707
Annotation	Isatidine
Peak:m/z	Relative Intensity
50.72141	0.4
55.01871	0.6
55.05505	0.5
56.96564	1.8
57.03423	0.4
58.06590	0.4
61.02932	0.4
67.05499	0.8
69.03434	2.5
69.68429	0.7
69.68783	0.9
70.06587	3.1
71.04988	3.2
79.05492	0.7
81.07053	0.4
82.06566	0.8
83.01339	1.7
83.04984	1.1
83.07374	0.5
84.07675	0.5
84.08148	5.4
85.02894	2.7
85.06566	0.4
85.56227	0.4
87.04485	0.6
91.05454	0.6
92.16805	0.4
93.07039	0.6
93.87663	0.3
94.06555	0.4
95.04980	0.5
96.08121	1.1
97.02892	1.6
97.06545	0.7
97.08897	0.8
98.06063	1.0
98.22800	0.6
99.04469	0.9
105.01846	0.4
105.07018	0.6
107.08620	0.5
108.08128	1.4
109.02882	0.4
110.09669	1.5
111.04462	0.5
111.08073	1.6
112.07623	2.5
115.03921	2.0
117.03370	0.5
120.08125	0.8
121.10101	0.4
122.09674	5.4
122.89411	0.4
123.08056	0.6
123.10467	11.2
124.07587	0.9
124.11207	1.5
125.05975	0.7
125.09635	0.8
126.09176	1.9
127.03915	1.5
127.07549	1.4
132.08121	0.5
134.09671	2.1
135.08060	0.4
136.07541	0.9
136.11215	1.8
136.24301	0.4
138.09154	0.8
138.12744	0.6
139.09937	2.7
140.10710	10.0
141.11000	0.5
143.00209	0.7
143.03398	1.1
145.02832	1.2
145.04991	0.9
148.07568	1.1
148.11209	0.9
150.09160	6.9
150.12729	1.2
151.03923	0.5
151.09932	8.5
152.10736	3.8
153.09087	0.8
155.07057	0.6
158.09680	0.6
160.11215	1.1
161.01253	0.9
162.12778	1.3
164.10724	0.9
167.06964	0.6
168.10199	10.2
169.11011	1.9
171.06480	0.8
171.10170	1.4
172.11209	0.6
176.10698	1.9
177.05463	2.5
178.05013	3.2
178.12283	6.4
180.13829	3.1
182.11769	1.3
188.10745	0.8
189.00702	1.6
189.11320	1.1
190.12251	1.2
196.13292	1.7
198.14813	0.5
204.10289	0.8
206.04523	5.0
206.11731	1.1
207.01775	2.1
207.12601	0.7
208.13268	0.6
222.14914	5.2
224.12843	7.8
225.13084	0.5
231.05046	0.4
234.14799	1.1
250.14314	0.4
252.15910	1.8
262.14285	0.4
262.97507	0.6
273.02756	0.6
276.16055	0.5
290.17261	0.4
291.03812	0.8
306.16992	0.4
324.18130	0.8
332.14938	2.0
350.15900	4.3
350.19647	3.6
351.20166	0.8
368.16959	100.0
368.20792	13.5
369.11517	2.9
369.17307	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	368.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93293	0.2
55.01873	0.2
55.05508	0.4
57.07075	0.4
61.90632	0.2
67.05523	0.3
74.22253	0.2
79.05488	0.6
81.07060	0.4
81.26865	0.2
81.88874	0.2
82.94294	0.2
83.01347	2.3
83.04986	1.4
84.08138	0.2
91.05490	0.4
93.07045	0.4
95.08587	0.6
99.04459	2.2
105.03385	0.2
105.07036	0.4
107.08578	0.3
107.58322	0.2
115.05414	0.2
117.07005	0.3
118.06560	0.6
119.05015	0.3
119.08595	0.4
121.10191	0.2
123.08048	0.3
127.03912	2.5
128.06219	0.2
129.06993	0.7
130.06534	0.9
130.07707	0.2
131.07275	0.4
132.04446	0.2
135.11743	0.3
136.11243	0.4
136.95630	0.2
139.03906	0.6
141.07063	0.3
142.06601	0.2
143.07277	0.6
143.08405	0.3
144.08095	0.6
153.07019	0.3
154.06522	0.9
155.04869	0.3
155.06146	0.2
155.07275	1.1
155.08594	0.6
156.08095	4.7
157.08826	0.8
160.11224	0.3
162.12788	0.3
163.07520	0.4
165.07048	0.4
167.07259	0.3
167.08585	0.3
168.05803	0.3
168.08087	1.4
169.06538	0.4
169.08897	1.4
170.09657	7.6
171.06787	0.3
171.10454	2.7
172.07585	1.0
172.10760	0.2
173.09669	0.5
174.12836	0.3
178.07800	0.4
180.08127	0.3
181.06477	0.4
181.08862	0.6
181.10306	0.3
182.05920	0.3
182.07303	0.5
182.09735	0.5
183.04382	0.4
183.06757	0.9
183.08098	0.8
184.07574	10.6
184.11215	0.7
185.06067	0.2
185.08304	1.1
186.09169	0.5
186.12848	0.4
190.13885	0.2
192.08099	0.6
193.08856	0.5
194.09749	0.6
195.08083	0.5
195.10336	0.2
195.13914	0.2
196.07539	1.8
196.11237	0.4
197.06052	0.7
197.08353	2.7
197.09822	0.2
198.09148	6.7
198.12840	0.6
199.06310	0.4
199.09828	1.4
200.07123	0.9
200.10600	0.2
200.14299	0.5
201.09285	0.2
202.12355	0.3
204.07986	0.3
205.06815	0.2
205.08829	0.5
206.09639	1.8
207.06413	1.3
207.08145	0.7
207.10397	0.8
208.11211	0.8
209.08250	0.4
210.09128	1.4
211.07553	1.7
211.09927	2.7
212.06935	1.2
212.10693	0.5
212.14342	3.1
213.07834	0.8
213.15138	1.8
214.08624	2.1
218.09534	0.4
219.08012	0.6
219.10275	0.5
220.07393	0.3
220.11145	1.5
221.06075	0.4
221.08167	0.5
221.12000	0.7
222.09140	0.7
222.12703	0.4
224.10634	2.3
224.14366	0.6
225.09280	0.4
225.11218	0.5
226.08652	0.5
226.12265	0.2
227.09277	0.5
227.13033	0.3
228.10222	0.4
228.13803	2.0
231.08157	0.3
232.11287	0.3
233.08260	0.4
234.09074	2.8
234.12691	0.4
235.07526	0.9
235.09921	1.7
236.10577	1.3
236.14394	0.5
237.07742	0.3
237.11436	0.6
238.08640	0.5
238.12328	1.1
238.15987	0.3
239.13036	0.4
240.13838	8.6
241.11169	0.2
241.14433	1.5
242.15366	0.6
247.10048	0.9
248.10660	2.2
249.09206	0.4
249.11462	0.9
250.09874	0.4
250.12367	0.6
251.10847	0.4
252.10233	2.2
252.13780	0.8
253.12213	0.3
254.15372	0.2
256.13303	2.1
258.14990	0.4
262.12317	0.3
262.15869	0.5
263.13028	0.3
263.16605	0.3
264.10251	0.5
264.13965	0.6
264.17502	0.9
265.10999	0.4
266.11700	1.0
266.15475	0.9
267.12656	0.5
268.13177	0.4
270.14886	16.5
271.15280	0.8
276.10300	0.3
276.13821	0.5
277.14551	1.1
278.07990	0.4
279.08966	0.2
280.10010	0.2
280.13580	1.0
280.16962	0.9
281.11002	0.2
282.14853	0.4
290.15549	1.3
292.09888	1.1
292.13531	0.5
292.16922	8.6
293.10458	0.9
293.17236	0.5
294.11279	0.5
294.14880	0.6
294.18307	0.3
295.15750	0.5
307.16028	0.3
308.16537	1.3
309.11215	0.9
309.17062	0.5
310.10754	2.4
311.11551	3.3
312.12302	3.2
313.12906	0.3
322.17996	0.6
324.12326	0.7
324.16016	0.5
324.19595	3.8
325.12866	1.3
335.14996	0.7
336.15964	2.3
350.17493	1.7
368.18558	100.0
368.42374	0.9
369.18903	8.9
369.23026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46431	0.2
55.01857	0.3
55.05487	0.3
55.64212	0.2
67.05496	0.5
69.07033	0.4
69.51894	0.9
76.89966	0.3
79.05479	0.4
81.07030	0.9
83.08618	0.3
88.64173	0.3
91.05476	0.6
92.73396	0.2
93.07037	0.5
93.97411	0.2
94.06554	0.5
95.04980	0.3
95.08583	0.8
97.06533	0.3
105.07020	0.6
106.73437	0.2
107.08607	0.4
109.06510	0.5
109.10149	0.3
111.08055	0.3
117.07006	0.3
119.08552	0.5
121.06504	0.4
121.10160	0.3
131.08493	0.3
131.57727	0.2
136.11211	0.5
144.08064	0.3
165.12737	0.9
170.09570	0.2
178.88666	0.3
181.08891	0.3
194.09744	0.4
195.10423	1.0
206.09644	0.6
207.10371	0.7
208.11316	0.6
210.09036	0.3
212.10707	0.5
220.11154	0.5
222.09091	0.9
222.12709	1.0
223.09814	0.4
224.10658	0.9
226.12146	0.4
234.09065	1.2
235.07535	0.3
235.09915	1.0
236.10675	1.5
237.11411	0.9
237.15147	0.3
238.08618	11.4
238.12215	3.5
239.08971	0.6
239.12880	0.7
240.13927	0.3
248.10616	1.2
249.11469	0.9
250.08542	1.8
250.12419	0.4
251.09435	1.6
252.10208	1.9
253.14523	0.3
254.15309	0.3
256.09683	2.2
264.10147	2.3
264.17468	1.0
265.11011	2.8
266.11749	23.0
266.15149	0.8
267.12311	2.4
268.17090	0.3
270.14960	0.5
277.21628	0.4
278.08252	1.2
278.15384	0.3
279.08725	0.5
280.13330	12.7
280.16849	0.9
281.13770	0.9
281.17636	0.9
282.11572	0.5
282.14850	2.1
289.21637	1.2
291.16125	0.4
292.09680	33.3
292.16638	2.9
293.10150	3.7
293.17487	0.6
294.14871	1.8
294.18256	0.5
296.20178	0.8
307.15610	0.8
307.22797	0.4
308.16437	2.9
309.17230	11.5
310.10709	0.5
310.17471	1.2
311.11404	0.3
312.19714	0.3
320.12903	0.4
322.17911	1.2
323.18777	5.4
324.19513	3.6
325.20074	0.4
333.24216	0.7
334.14420	0.5
335.15182	11.4
336.15741	1.8
340.19067	1.4
350.17520	9.3
351.17950	0.8
351.25214	1.6
353.16129	0.6
368.18558	100.0
369.18875	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	368.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.01878	5.6
57.03432	5.9
61.02930	6.8
68.99778	2.5
69.03433	36.8
69.32003	3.7
71.04998	4.3
73.02917	6.7
76.61979	0.8
81.03418	21.5
85.02907	100.0
86.03249	1.2
87.00833	47.4
91.03969	1.1
94.73286	0.8
97.02896	29.8
98.23536	1.4
99.04453	10.9
105.01868	71.7
108.04483	1.7
109.02881	29.9
109.03635	1.5
115.03933	1.1
115.30869	0.8
117.01866	2.7
127.03917	68.9
128.04236	2.9
129.01799	4.0
145.04961	34.5
147.02885	2.3
157.96162	0.8
159.02888	12.3
177.03954	1.5
189.04013	3.2
213.03967	2.6
230.06616	1.0
231.05000	22.9
232.05402	1.0
249.06021	6.1
315.45557	0.8
333.15494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13829	1.0
52.39855	1.0
55.01888	1.6
57.03438	3.0
61.02927	4.6
62.52048	1.1
66.67559	1.0
69.03427	15.6
70.06604	1.8
71.04987	1.9
73.02916	2.6
81.03428	9.6
84.37212	1.1
85.02908	55.9
86.09696	1.0
87.04473	23.2
91.03957	3.2
97.02900	14.7
99.04436	2.9
99.08053	1.5
109.02880	7.4
110.07132	1.6
114.09167	1.0
115.03932	100.0
116.04262	1.6
116.79970	1.1
121.92963	1.1
127.03919	27.8
133.04973	39.1
145.04953	30.1
163.06010	7.4
259.08084	8.0
277.09186	35.7
278.09503	2.3
291.86002	1.2
320.18527	1.8
332.71515	1.2
350.15894	2.0
351.27216	1.3
368.18103	7.4
368.24277	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
53.37943	0.5
55.01873	1.7
57.03440	3.3
60.63232	0.5
61.02933	4.4
69.03066	1.1
69.03431	17.5
71.04993	1.1
73.02922	3.4
81.03413	9.6
85.02908	58.2
86.03223	1.1
87.04469	24.6
88.04777	0.5
91.03979	2.7
97.02894	15.2
99.04464	3.6
101.02383	1.4
103.03928	1.3
109.02886	9.5
115.03933	100.0
116.04287	2.3
127.03918	29.2
130.45659	0.5
133.04968	31.9
134.05286	0.7
145.04961	31.4
146.05251	0.5
152.67241	0.5
153.12761	0.7
157.04970	1.1
163.06029	7.5
169.88086	0.6
175.06058	0.8
194.02490	0.6
241.07048	1.0
242.91904	0.5
259.08200	8.1
260.08401	0.5
277.09198	20.2
277.12256	1.2
278.09613	1.4
368.18552	2.2
368.24142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01854	1.6
57.03424	3.0
60.24805	1.2
61.02909	4.3
68.05652	1.3
69.03427	20.9
70.90095	1.3
71.04987	2.6
73.02906	4.5
79.05413	1.7
81.03419	15.0
81.07049	2.0
85.02904	74.9
87.04475	22.3
91.03951	3.5
91.05475	3.3
92.65537	1.4
96.04377	1.4
97.02892	16.2
99.04435	5.0
103.03935	1.6
105.07013	1.7
109.02869	11.7
115.03927	100.0
127.03917	32.1
128.04207	1.6
133.04970	35.0
136.11195	2.0
136.33295	1.5
136.62544	1.4
145.03818	2.8
145.04959	46.6
146.05211	1.3
147.04446	1.4
161.09729	1.4
163.06029	8.9
171.13710	1.3
207.06537	5.1
207.13901	1.5
259.08157	11.9
277.09155	24.3
299.23480	1.5
368.18484	6.5
369.19113	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	368.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.05022	0.8
67.05491	1.1
68.05025	0.5
69.03419	0.6
69.65871	1.5
70.06595	5.6
70.50374	0.4
71.04989	5.4
72.95901	0.4
79.05480	1.3
81.05756	0.4
81.07059	0.5
82.06561	1.3
83.01333	1.8
83.07329	1.1
84.08139	20.9
89.03909	1.7
91.05450	0.5
95.08603	1.3
96.08105	1.2
97.08900	1.5
98.09712	0.6
100.07597	1.3
100.65714	0.4
105.07015	0.5
107.08592	0.8
108.08098	1.2
109.08876	0.4
110.09649	0.9
111.33234	0.4
112.11229	1.1
115.03890	1.0
117.03371	6.0
120.08038	0.4
122.09672	4.1
123.10432	1.1
124.11203	1.2
126.09119	2.2
126.12798	1.6
129.05516	0.6
136.11206	4.8
137.12016	3.2
138.12767	6.9
139.13081	0.4
139.91406	0.4
140.10696	1.7
143.03410	0.9
145.02832	12.6
145.03932	0.9
149.06004	2.5
150.12753	1.7
152.10593	0.6
164.14369	2.5
165.15108	1.3
166.15952	0.7
177.05463	22.5
192.13860	0.8
194.15376	1.0
210.14876	6.7
222.15120	0.4
224.16415	5.7
240.04016	0.4
248.63745	0.4
270.16980	1.0
290.17563	0.4
292.19046	0.8
304.15353	0.6
308.18524	1.0
324.21390	0.8
336.18027	24.3
337.18396	1.2
350.15799	0.5
350.19577	1.5
368.20636	100.0
369.21039	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	368.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80301	0.9
55.01896	1.3
55.05518	2.2
56.96562	2.4
57.03429	1.1
59.04985	1.1
62.37318	1.0
67.05510	3.4
69.03437	3.7
69.07079	1.5
70.06601	1.7
70.79431	1.1
71.05005	2.7
71.45664	1.3
73.49209	0.9
79.05506	2.4
80.05010	1.3
81.03417	1.8
81.07056	7.2
84.08163	1.6
85.02915	2.5
91.05489	2.7
93.05784	1.1
93.07020	2.5
94.06567	1.1
99.04464	3.2
100.07657	1.2
101.06083	1.3
107.08613	1.7
108.08134	7.5
109.06551	4.2
109.10182	1.8
110.09678	1.7
120.08096	1.3
122.09702	2.6
126.09161	5.1
132.08109	1.1
133.08833	1.5
134.09683	3.0
136.07623	1.4
136.11198	4.8
138.09158	2.9
140.10703	2.9
146.09607	1.8
148.11217	1.2
150.09140	2.8
152.10715	2.1
154.12354	2.3
164.10757	3.9
174.12871	1.9
182.11777	3.6
192.13892	1.7
196.13364	2.2
198.11317	2.1
202.12343	1.4
208.13327	6.6
216.13901	1.2
220.13365	5.2
229.07524	2.2
234.14948	1.4
236.12807	10.7
238.14421	15.3
247.08565	1.1
261.04434	2.2
262.05133	1.7
262.14398	95.7
263.14905	5.9
264.16113	2.1
266.13928	1.1
280.15527	3.4
290.17542	4.4
292.15485	4.6
294.17215	3.7
308.18671	3.0
318.17178	7.3
324.18149	6.4
336.18103	25.0
337.18323	1.4
350.19653	11.2
368.09354	10.8
368.20770	100.0
369.09885	1.2
369.23019	10.7
387.20612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.05507	2.0
56.96569	2.5
57.03430	2.7
59.05006	3.0
61.02927	4.4
67.05510	4.9
69.03428	12.9
69.07069	8.0
69.34167	5.0
69.34564	3.0
70.06596	2.1
71.04991	4.5
73.02924	4.6
79.05485	5.3
81.03423	9.4
81.07052	8.6
82.91590	1.8
83.04982	3.4
83.08631	3.7
85.02911	50.4
85.06549	7.1
87.00785	3.3
87.04465	6.8
91.03934	4.6
91.05455	2.3
93.07041	21.8
95.05005	3.0
95.08614	13.1
97.02889	14.5
97.06532	20.7
98.22688	3.5
99.04466	4.8
103.07645	2.5
105.07003	2.0
107.08598	29.8
109.02902	8.7
109.10154	18.8
110.07109	2.2
110.09698	1.7
111.08105	3.5
111.11747	2.0
115.03949	19.1
119.08556	2.3
123.11780	2.0
125.06047	2.2
125.09637	4.7
127.03916	24.6
133.04991	5.8
135.08154	1.8
135.11700	81.2
136.11145	2.3
136.12051	2.9
143.07069	1.9
145.02901	2.6
145.04961	36.8
153.09238	7.9
153.12747	100.0
154.13086	5.1
163.06021	12.9
171.06639	2.0
171.10185	15.2
171.13803	13.5
177.05447	6.3
189.11238	6.0
195.24872	1.8
198.09676	2.5
210.14677	1.8
259.08060	4.8
274.87170	1.7
277.09155	3.2
297.17120	1.9
299.86063	1.8
340.17786	1.9
368.16882	18.8
368.20624	10.8
368.24509	6.3
369.17230	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	368.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
56.77601	1.1
59.04734	1.3
59.05006	1.6
66.22715	1.1
69.07078	2.0
69.74456	2.5
69.74821	2.6
71.04992	15.4
73.06567	4.6
79.05509	3.1
81.07055	17.9
83.04976	1.9
85.02892	1.4
91.05489	2.5
93.07056	11.8
95.08606	3.3
97.06551	2.9
107.08608	9.7
111.08099	1.6
120.83733	1.1
135.11705	18.6
153.12747	100.0
154.13089	5.2
205.15999	1.4
294.19525	1.9
308.18497	1.3
310.20169	4.2
324.21597	5.9
350.19891	1.5
368.24289	31.6
369.24451	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	368.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03722	0.2
55.01841	0.4
55.05513	1.5
56.05009	0.2
57.03394	0.8
57.07048	0.4
59.04984	0.2
60.77746	0.2
62.15234	0.2
65.26380	0.2
67.05466	0.6
69.03434	2.8
69.07018	0.7
69.75960	0.5
70.06607	1.1
71.05003	1.1
73.02885	0.5
79.05448	0.6
81.03358	0.7
82.06549	0.4
83.04984	4.2
83.07320	0.3
84.08099	0.7
85.02907	3.9
85.06503	0.5
86.06024	0.6
86.09646	0.5
87.04483	0.9
91.03918	0.3
91.05474	1.0
93.07030	1.4
95.04923	0.5
95.08590	1.1
96.08143	1.2
97.02879	1.1
97.06469	0.6
98.06003	0.4
98.09652	0.2
98.23475	0.4
99.04398	0.4
101.05959	0.6
104.99800	0.2
105.07049	1.0
107.08535	0.8
109.02824	0.6
109.06466	0.6
109.10098	0.3
110.07108	0.4
110.09618	0.6
111.08109	1.0
115.03943	1.8
117.03343	0.5
117.07015	0.2
119.08578	1.3
120.08076	0.5
121.06431	0.8
121.10130	0.3
122.09614	0.4
123.08045	0.4
124.11179	0.5
125.05915	0.2
125.09599	0.3
126.12773	0.2
127.03913	1.5
131.08502	0.6
133.04936	0.5
133.06453	0.3
133.10097	0.3
134.09601	0.3
135.08025	0.5
136.06187	19.3
136.11182	0.5
137.09549	0.8
138.09099	0.2
138.12772	2.9
139.07481	0.2
139.11108	0.5
140.07037	0.3
141.01820	0.4
145.02910	1.1
145.04984	1.9
145.10062	0.6
147.08040	1.0
147.11633	0.4
148.11165	0.4
149.09558	0.7
150.09102	0.5
150.12741	0.2
152.10655	0.6
153.12703	0.4
154.12228	0.6
157.08556	0.9
157.09894	0.3
159.07997	0.4
160.11143	0.2
161.13300	0.4
163.05994	0.4
163.11148	0.4
164.14374	0.3
168.10219	0.3
170.11775	1.1
173.09647	0.5
175.09668	1.8
177.05463	2.0
177.12709	0.4
181.12283	0.3
182.11729	0.9
184.13217	0.2
187.11194	0.4
187.14682	0.2
188.14471	0.3
189.12700	0.5
192.13756	0.3
194.11697	0.6
203.14261	0.4
204.13741	0.3
204.17477	0.2
205.15906	3.2
206.10283	1.1
206.15430	0.7
206.19016	0.3
215.14395	0.5
216.15103	0.2
217.15837	0.4
218.10251	0.4
218.15521	0.2
222.14687	0.2
232.16920	1.4
233.15349	1.8
236.11417	7.6
237.11479	0.4
250.17957	1.0
252.15923	0.4
259.08041	0.7
260.19864	0.3
265.17822	0.2
265.86276	0.2
268.10413	1.3
277.09433	0.3
277.18079	0.2
288.19489	0.8
289.17908	0.6
292.18967	0.2
294.20569	0.8
306.20630	2.3
307.21194	0.2
314.21024	0.3
324.21686	40.7
325.22049	3.2
332.22235	0.4
350.19647	0.4
350.23154	0.9
368.15848	3.2
368.24329	100.0
369.17093	0.3
369.20215	0.4
369.24667	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.03416	0.6
57.07042	0.5
61.02907	0.5
67.05475	0.6
69.03425	3.4
69.07041	0.8
69.16095	1.4
70.06554	1.2
71.04970	0.8
79.05456	1.0
81.03371	0.7
81.07009	1.0
83.04980	6.4
85.02905	2.7
85.06516	0.4
86.06036	0.6
86.09674	0.4
87.04420	0.4
91.05440	0.9
93.07047	1.4
95.04934	0.4
95.08627	1.8
96.08119	1.4
97.02843	0.6
97.06500	0.5
98.06020	0.4
98.09683	0.3
99.04401	0.3
101.05990	0.6
101.37777	0.3
105.06985	0.8
107.08551	1.2
109.06481	1.0
109.10084	0.3
110.07168	0.6
110.09650	0.8
111.08053	0.9
115.03879	1.2
117.03350	0.6
117.06950	0.6
119.08573	1.5
121.06427	0.7
121.10088	0.5
122.09606	0.7
123.08031	0.4
124.11204	0.7
127.03919	1.0
130.50049	0.3
131.08502	0.7
133.04950	0.5
133.06514	0.4
133.10132	0.5
135.08043	0.3
136.06184	12.3
137.09581	1.1
138.12744	2.6
139.11147	0.6
145.02850	1.5
145.04976	1.7
145.10085	0.7
147.08008	0.9
147.11688	0.4
148.11171	0.3
149.09622	0.6
150.09119	0.3
154.12225	0.5
157.08606	1.4
159.07988	0.4
161.09628	0.4
161.13203	0.3
170.11681	0.8
175.09665	2.1
177.05461	2.2
177.12720	0.5
182.11781	0.8
187.11244	0.3
189.12695	0.3
194.11647	0.5
203.14299	0.4
204.17345	0.4
205.15855	4.2
206.10291	0.4
206.15395	0.8
215.14389	0.7
232.16911	1.0
233.15393	2.3
234.15154	0.4
236.11409	4.6
237.11514	0.4
247.16685	0.3
250.18056	0.9
259.08188	0.7
268.10416	0.7
278.20923	0.5
288.19547	1.4
289.17960	0.9
292.18927	0.4
294.20593	0.7
306.20688	2.9
324.21692	42.4
325.22101	2.7
332.22031	0.3
350.23181	2.0
368.24319	100.0
369.11594	0.4
369.24652	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05081	0.3
50.79852	0.3
53.03889	0.3
54.52592	0.3
55.01811	0.3
55.05425	1.5
55.24240	0.3
56.04965	0.3
56.97917	0.3
57.03376	0.5
57.07001	0.7
57.20762	0.3
57.77527	0.3
58.26521	0.3
59.43118	0.2
61.02852	0.6
67.05396	0.9
67.05714	0.3
68.04946	0.4
69.03329	2.9
69.06982	0.9
69.90272	0.4
69.90619	0.9
70.06488	1.2
71.04889	1.4
73.02829	0.6
77.99144	0.3
79.05399	0.9
81.03300	1.2
81.06949	1.4
82.06516	0.3
83.04866	2.3
83.08537	0.6
84.08031	2.2
85.02796	5.8
85.03347	0.6
85.06432	0.9
86.05984	0.6
86.09636	0.4
87.04368	0.8
89.52831	0.3
91.05360	1.0
93.06925	2.3
94.06470	0.3
95.04854	0.7
95.08503	1.3
96.08011	1.4
97.02772	1.7
97.06435	0.6
98.05986	0.4
98.09622	0.4
99.04379	0.6
101.05935	0.6
103.02636	0.3
105.06903	1.0
106.06492	0.3
107.04893	0.3
107.08600	1.7
108.08020	0.4
109.02761	0.9
109.06374	1.0
109.10080	0.6
110.09557	0.9
111.07969	1.1
115.03918	2.8
119.08452	1.3
121.06408	0.6
121.10059	0.6
122.09554	1.0
123.07986	0.5
124.11140	0.6
125.09559	0.6
126.09045	0.3
126.12688	0.8
127.03921	2.4
127.07451	0.4
131.08479	0.7
133.04826	1.1
133.06398	0.4
133.10060	0.6
135.07982	0.6
135.11632	0.7
136.11090	1.2
137.09494	1.2
138.12787	3.3
140.07011	0.5
140.10616	0.5
143.08376	0.4
145.04959	4.4
145.09952	0.6
147.07909	1.2
147.11557	0.5
148.11084	0.4
149.09526	0.5
150.12665	0.6
151.09920	0.4
152.10672	0.5
153.08986	0.8
153.12624	0.8
154.12294	0.4
157.08514	0.8
161.13148	0.4
163.05974	0.4
164.14301	0.7
170.11772	1.6
171.10031	1.0
173.09521	0.6
175.09659	0.7
175.11145	0.6
182.11665	0.5
187.11092	0.5
189.11127	0.5
189.12624	0.4
194.11621	0.9
203.14284	0.4
204.13712	0.4
205.14236	0.3
205.15898	3.2
206.15405	0.5
215.14215	0.9
222.14911	1.8
223.73317	0.4
224.16403	1.5
229.15665	0.3
232.16934	0.8
233.15323	2.2
250.17964	0.9
259.07980	0.9
260.20053	0.6
273.25314	0.3
276.15915	0.3
277.08981	0.4
278.21112	0.8
288.19458	0.7
289.17993	0.9
294.20642	0.9
306.20554	2.6
310.20108	3.1
324.21683	48.7
325.21985	3.5
332.22153	0.4
336.18219	2.2
350.15900	0.5
350.19583	0.8
350.23309	0.7
368.20645	9.3
368.24371	100.0
369.11691	2.2
369.21027	0.7
369.24713	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	368.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28396	4.6
55.05517	12.9
57.07073	7.3
61.74044	4.1
67.05499	17.3
69.07072	20.2
70.06578	5.2
71.04993	8.7
79.05501	7.8
79.78925	4.1
81.07076	28.4
83.08640	11.1
85.06536	33.7
91.05479	11.8
93.07044	34.6
95.08603	67.6
97.10169	11.1
98.22650	6.7
99.08076	10.3
105.07021	32.4
106.25762	5.4
107.08588	35.5
109.06512	5.3
109.10152	47.3
111.08090	10.1
113.06000	14.3
117.07021	4.9
119.08574	46.3
121.10127	37.2
122.10579	5.5
123.11716	29.4
131.08591	12.8
133.10110	38.6
135.11681	31.5
136.11169	5.9
137.09605	6.0
137.13257	6.0
143.08615	6.0
145.10117	27.9
147.11697	32.5
149.13283	24.4
151.11205	9.9
157.10139	15.0
159.11691	39.2
161.13261	23.3
165.12758	5.4
165.83626	5.4
171.11664	12.2
173.13271	24.5
174.47142	4.3
175.14862	20.4
177.12773	16.8
177.16379	9.9
179.14346	9.8
185.13255	14.3
187.14938	24.9
189.16331	7.5
199.14845	16.7
203.14349	7.0
203.17964	6.8
209.55490	4.3
213.16411	8.2
215.17957	61.7
229.19522	13.3
233.19034	10.9
243.21158	30.7
245.22629	50.5
255.21092	44.7
261.22086	26.7
273.22107	100.0
291.23175	90.4
368.18161	17.7
368.31570	5.2
368.42441	16.0
369.24118	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	368.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.2
57.07070	1.5
60.08165	1.0
67.05504	2.5
69.03431	3.4
69.07068	4.2
71.08615	0.6
79.05494	1.2
81.07053	2.4
83.08624	2.2
86.06068	100.0
87.04470	12.6
87.06405	1.4
93.07031	1.4
95.08606	2.9
97.10168	1.4
104.07106	18.8
107.08624	0.9
109.10164	0.9
111.08091	0.7
121.10155	1.4
135.11693	0.8
140.36510	0.4
149.13220	0.5
156.51997	0.3
252.32076	0.3
265.25223	0.9
309.27896	1.5
368.31546	4.3
368.35373	1.0
368.42502	7.1
368.46799	0.6
369.15302	0.4
369.42813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.5
55.05513	20.6
57.03415	0.6
57.07077	4.7
60.08172	2.5
67.05505	8.7
69.07069	24.7
69.35059	0.7
69.35471	1.5
70.07388	0.6
71.04978	1.0
71.08624	2.5
71.26430	0.4
73.02926	3.3
77.99619	0.4
79.05482	3.1
81.07059	10.3
83.08619	13.3
85.06498	0.7
85.10149	1.3
86.09682	1.3
87.04445	0.7
91.05481	1.9
93.07045	4.7
95.04933	0.5
95.08046	0.6
95.08609	9.6
97.06483	1.5
97.10171	6.9
99.04461	4.0
99.08099	0.5
104.05170	0.4
105.07004	0.9
107.08585	2.1
109.06516	0.6
109.10164	3.7
111.08089	1.0
111.11694	2.0
111.74522	0.4
119.08560	1.1
121.10134	2.7
123.11657	1.0
125.09577	0.6
127.07611	0.3
133.10097	0.8
135.11673	1.4
137.13264	0.7
147.11705	0.6
153.34662	0.3
158.72197	0.4
183.60970	0.4
213.28790	0.4
282.69025	0.4
309.27863	100.0
310.28253	8.5
313.27686	0.4
316.75571	0.4
324.32559	1.1
368.35226	68.3
368.42685	3.2
369.35403	7.9
369.39310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56826	0.4
55.01859	1.8
55.02123	0.4
55.05505	0.8
56.96566	0.4
59.04992	1.0
65.03929	4.0
68.99781	0.6
69.09901	3.5
71.08625	1.3
78.38148	0.4
79.05484	0.6
81.07057	0.6
83.08614	0.7
84.04499	1.7
85.06507	0.6
88.11233	0.5
93.03407	2.7
93.07017	0.4
95.04954	0.5
100.11259	1.9
103.05487	1.0
108.71024	0.4
109.02825	0.5
111.04467	3.5
121.02856	2.6
123.04439	3.3
131.04926	4.6
135.04424	6.3
139.03902	1.6
149.02342	100.0
149.03394	5.3
150.02661	4.2
151.03902	10.1
152.04231	0.7
152.38359	0.4
154.12270	1.9
159.04388	0.7
161.05975	5.6
169.02510	0.5
170.15411	3.0
189.05463	9.2
198.14917	2.4
199.15314	0.5
205.06500	0.9
210.14857	0.6
217.04968	3.3
223.07526	0.8
225.10884	0.5
228.09818	0.5
235.07632	0.7
251.07121	2.2
260.16501	0.5
263.07043	1.4
279.06396	1.1
281.08102	0.5
281.18527	1.0
293.08200	0.7
308.06662	1.4
309.07718	2.2
322.89444	0.5
339.08633	60.8
340.08926	5.7
368.28864	2.1
369.09537	1.4
369.14865	1.9
369.22433	3.5
369.29471	1.1
370.30594	0.7
390.40341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04418	0.5
56.96567	100.0
66.94605	0.6
67.98176	1.0
70.06601	0.6
70.85358	0.7
71.95282	1.0
72.96052	1.6
74.97613	1.1
83.97644	1.7
85.99178	0.8
97.99178	0.7
112.97895	0.7
117.03368	0.5
120.08102	2.0
144.96838	0.8
145.02847	1.5
147.01250	0.6
149.02777	1.2
163.00652	1.0
165.02281	3.8
167.03813	1.2
174.33365	0.6
176.03848	20.0
177.02271	1.1
177.04102	0.9
177.05470	3.2
178.05403	37.2
179.05698	1.1
181.01794	1.0
183.03316	7.5
186.02261	1.3
190.01735	1.3
192.03271	2.8
194.04909	5.7
196.06482	19.3
197.01245	0.7
197.06766	0.5
199.92116	0.5
201.04362	6.0
204.03322	11.9
208.02872	5.1
210.04395	1.7
222.04376	69.7
223.04742	2.3
226.03876	2.3
240.05432	52.2
241.05714	1.4
324.09094	1.1
344.39670	0.5
351.10138	7.1
369.11218	71.6
369.21024	1.5
370.11621	5.8
370.18530	1.5
370.22711	2.6
387.12219	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05518	0.5
55.36772	0.5
69.03427	1.6
70.06601	1.3
71.05004	0.8
81.03409	1.0
83.04992	0.6
84.08139	0.9
85.02914	3.8
85.06562	0.8
86.03260	0.6
87.00831	0.9
87.04443	0.6
91.03938	0.8
91.05480	1.1
95.04981	0.7
95.08612	0.6
97.02859	2.5
99.04491	0.6
101.32353	0.5
107.08560	1.0
109.02912	0.7
111.04422	0.9
111.08057	0.7
115.03922	2.4
117.03410	1.2
127.03929	1.9
128.04260	0.7
135.11688	0.9
136.11205	0.6
138.12704	0.6
145.02856	3.5
145.04950	2.6
149.06023	0.6
152.89787	0.5
153.12831	0.7
157.80019	0.6
176.98338	0.5
177.05464	5.8
185.04224	2.9
206.05479	4.3
207.06282	8.3
234.98944	0.6
266.13986	0.7
277.09164	1.0
352.17673	3.2
352.21317	0.6
369.11563	100.0
369.20752	3.1
370.11777	5.4
370.18597	17.0
370.22302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
51.14645	0.6
54.37875	0.7
69.44926	2.4
69.45331	1.3
71.82585	0.6
89.03919	8.2
91.05476	1.0
107.42567	0.6
111.26101	0.7
117.03374	23.3
118.03696	1.0
119.48018	0.6
134.03595	1.9
134.04797	0.5
135.04449	0.9
136.05226	0.7
145.02847	56.5
146.03171	2.0
149.05994	6.5
177.05469	100.0
178.05779	3.8
224.50182	0.7
233.71056	0.7
233.96939	0.6
264.15869	2.2
352.21167	1.7
369.11484	1.5
370.22195	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	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72436	1.7
85.41112	0.6
89.03914	7.8
101.59764	0.7
106.04169	0.7
108.36588	0.7
110.78345	0.8
117.03381	21.6
124.11186	0.8
134.03647	1.8
145.02849	54.5
146.03185	1.9
149.05977	9.0
177.05473	100.0
178.05779	3.8
192.83723	0.7
344.48398	0.9
352.21466	0.9
370.22165	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	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31586	0.6
70.06577	0.7
70.60435	0.8
83.04969	0.7
85.02869	0.9
89.03911	6.8
92.60463	0.5
103.05458	0.6
105.03358	1.4
106.04163	0.6
117.03375	22.1
118.03628	0.5
134.03615	1.9
135.04408	1.6
138.12766	2.4
145.02843	50.9
146.03169	1.8
149.05974	7.9
150.12701	0.5
151.96683	0.4
159.10181	0.7
160.17604	0.5
163.03911	0.6
174.12766	1.2
177.05463	100.0
178.05797	4.4
191.04909	0.5
207.06569	0.7
210.14857	0.6
244.58958	0.5
269.11972	0.5
269.19455	0.5
273.17242	0.6
370.22177	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75164	3.4
55.05495	7.7
56.96572	30.8
70.76614	4.8
71.95251	3.1
82.39671	2.7
83.08616	4.7
88.11259	2.9
116.81676	2.8
145.21672	3.2
146.99646	3.7
168.84207	2.6
189.51396	2.7
199.06396	4.2
213.07988	15.0
217.07344	7.5
225.07892	5.2
229.07373	5.2
231.08958	9.3
239.09430	3.4
241.11055	5.9
243.08980	3.7
247.08366	3.1
251.09482	8.2
255.08693	3.7
257.10541	3.3
259.12177	7.1
262.86469	3.1
269.10602	34.9
273.09937	3.7
287.11728	16.4
333.17264	17.9
351.18405	26.3
369.19397	100.0
370.20010	8.6
387.15411	3.9
387.20477	67.4
388.20944	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	369.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16870	2.3
55.01869	4.2
55.05502	7.2
57.07062	5.6
67.05518	14.3
69.03426	3.2
69.07067	9.1
70.06568	2.5
71.04976	2.2
77.64243	2.1
79.05512	11.1
81.07059	15.6
83.08620	3.3
85.06576	4.9
91.05484	22.7
93.07047	20.7
95.04976	12.3
95.08599	36.1
97.06523	5.9
99.04433	2.6
105.07037	24.0
107.08594	24.9
108.24623	2.3
109.06526	5.7
109.10152	18.8
111.04448	3.0
111.08087	12.4
115.05420	2.4
117.07006	5.6
119.08582	40.7
121.06543	4.6
121.10130	15.1
123.08044	4.4
123.11725	5.5
125.25897	2.3
127.03881	4.0
128.06227	3.5
129.07057	3.8
131.08571	25.1
131.64563	2.3
133.10136	25.1
135.08063	9.2
135.11681	7.6
137.05986	37.7
137.09589	2.9
138.12775	2.2
139.07530	4.3
141.06926	2.7
142.07735	4.4
143.08539	12.5
144.09346	3.5
145.10124	23.5
147.08031	8.8
147.11665	9.2
149.09602	6.7
153.61029	2.4
155.08563	6.7
156.09346	7.7
157.10135	22.3
158.10823	3.7
159.08044	9.0
159.11710	19.7
161.09625	3.6
161.13255	3.8
163.14745	2.9
165.09012	3.4
168.09319	4.0
169.10126	5.5
170.10950	3.3
171.10303	2.8
171.11659	11.9
173.09612	4.0
173.13243	12.1
175.14818	18.1
177.09065	4.3
181.10098	3.2
183.11676	13.4
184.07544	4.9
185.07826	3.1
185.13213	11.4
187.14900	12.1
193.10051	5.3
195.11754	7.4
196.12479	2.5
197.13266	8.8
199.09370	2.6
199.14838	6.7
201.12747	5.4
205.10258	2.4
205.15845	3.1
207.11752	3.8
209.13335	7.8
211.11185	6.2
211.14815	5.5
223.14793	3.5
225.16460	3.7
227.14449	2.5
229.12172	3.5
235.14835	3.2
237.16405	3.1
239.17984	3.1
240.13867	5.1
241.14119	6.0
247.09576	6.5
253.10425	2.8
253.19443	2.8
270.14926	2.9
271.15231	7.6
293.17279	7.1
313.12750	3.4
325.19879	3.9
326.20941	3.5
351.23209	8.7
368.42767	4.1
369.18881	100.0
369.24280	23.1
369.42844	4.6
370.19937	14.9
370.23868	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03681	5.2
51.46559	5.3
55.05510	27.7
57.03422	8.9
57.07069	21.0
65.46020	5.4
67.05505	42.0
69.07069	21.4
69.31808	27.0
71.08633	44.7
79.05492	35.1
80.94870	9.2
81.03375	6.3
81.07048	55.3
83.04986	30.0
83.08627	11.6
91.05492	22.3
93.07036	46.1
93.30477	5.5
95.04977	24.6
95.08605	43.8
97.06544	15.9
99.08093	25.1
105.07018	16.2
107.08582	35.5
109.06577	8.9
109.10191	14.9
119.08624	20.0
121.10147	25.0
131.08600	9.7
133.10104	15.2
135.11693	38.5
137.09596	6.2
141.09100	8.7
145.10179	9.8
149.13277	13.6
151.11218	19.4
161.13260	12.8
163.11221	6.9
164.92053	8.9
165.12770	49.6
179.14308	90.8
181.15645	6.4
209.11691	10.3
237.11215	18.1
246.67009	9.9
259.20459	7.4
261.22382	6.4
269.11218	7.4
277.21689	52.8
289.21664	17.0
293.17499	22.3
300.13223	6.5
304.48660	6.5
307.22607	8.5
333.24405	9.4
351.25314	100.0
352.25769	11.2
368.42432	7.5
369.15167	9.5
369.20132	83.6
369.32019	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	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	11.0
55.01875	6.6
55.05516	18.7
57.03426	4.2
57.07085	7.0
65.03951	1.7
67.05508	48.0
68.63268	1.5
69.03439	1.3
69.07076	37.6
69.29834	2.7
69.30247	5.7
70.07389	2.3
71.05005	4.3
71.08624	3.8
79.05502	28.3
81.03426	57.3
81.07063	40.3
82.03735	1.9
83.04984	11.7
83.08622	6.5
84.49555	1.3
85.06552	2.3
85.10152	2.0
89.10389	1.3
91.05488	18.9
93.07050	29.5
95.04973	36.9
95.08619	16.7
97.06528	3.6
97.10166	5.3
99.08070	3.2
105.07027	16.4
107.08611	20.1
109.06510	9.2
109.10160	15.2
111.08096	2.6
117.07054	3.4
119.08598	10.4
121.10126	4.6
123.11725	5.9
125.09641	6.0
129.07011	2.9
131.08583	4.3
133.10155	15.3
135.08081	4.7
135.11717	8.5
137.13249	1.9
143.08546	2.3
145.10130	2.6
147.11705	10.3
149.09605	2.6
149.13188	7.2
151.11194	36.5
153.09158	4.5
157.10112	2.1
161.13274	10.9
163.14839	3.9
165.12773	10.1
171.10257	2.0
171.11658	3.7
173.13315	1.7
175.11211	1.6
175.14832	3.4
177.12798	2.2
179.14314	6.1
185.13200	2.4
189.12706	2.1
193.12218	2.3
204.08128	1.7
207.13866	3.7
217.19476	1.8
221.15422	2.4
231.21080	7.5
241.19475	4.4
249.22151	2.4
253.58467	1.7
259.20596	5.6
276.13635	1.5
277.21649	100.0
278.21973	6.6
351.25323	65.2
351.29697	2.4
352.25555	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97765	1.8
55.01871	3.8
55.05509	20.7
57.03441	11.9
57.07072	11.7
57.77567	2.1
67.05510	39.9
69.03445	2.4
69.07071	21.8
69.52020	4.6
69.52365	5.3
71.04996	7.5
71.08630	11.1
79.05493	22.8
79.50024	2.1
81.03426	7.2
81.07058	45.0
83.04993	7.4
83.08632	9.2
85.02901	4.2
85.06510	4.3
85.10183	25.5
89.59989	2.5
90.17568	2.0
91.05483	17.6
93.07053	28.3
93.97324	2.4
95.05006	11.5
95.05537	2.4
95.08611	23.7
97.06531	8.5
97.10157	6.7
99.08115	6.7
105.07037	21.1
106.76284	2.3
107.05003	6.0
107.08601	20.4
109.06562	6.5
109.10162	32.7
111.08100	2.8
113.05981	2.4
113.09650	23.1
119.08582	11.8
121.06527	4.2
121.10156	12.8
123.08090	7.4
123.11728	4.0
125.09663	4.1
129.06996	5.1
131.08577	8.6
133.10117	19.4
135.08035	4.5
135.11716	3.8
135.93037	2.8
145.10143	4.7
147.08049	3.5
147.11716	7.9
149.02367	3.6
149.09630	9.1
151.11220	8.7
157.10208	4.7
161.06067	3.7
161.13283	5.0
163.03928	3.4
163.07503	2.7
163.11206	5.3
165.12758	30.7
169.12263	7.2
173.11795	2.9
175.07547	3.0
175.15105	2.2
177.05493	42.1
178.06250	26.6
179.14407	4.6
187.11211	2.5
189.12755	2.9
191.07065	9.0
205.12309	4.1
214.98492	2.6
215.10704	3.1
233.11742	73.6
235.13304	2.6
241.19569	2.7
258.29999	2.6
259.20648	5.2
269.17514	4.1
270.38953	2.5
277.21634	60.7
277.24484	3.8
278.22034	4.2
295.22696	100.0
296.23157	5.4
325.14410	4.4
351.25385	10.4
369.17392	8.9
369.26404	29.4
370.19891	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.3
55.01871	9.5
55.05507	66.7
57.03442	17.5
67.05495	59.9
69.07051	28.6
71.08636	49.1
79.05482	40.3
81.07053	100.0
83.04984	24.0
83.08636	57.0
91.05474	42.4
93.07056	41.9
95.04949	15.2
95.08592	39.3
97.06561	10.6
99.08070	45.9
105.07011	29.6
107.08565	21.8
109.10165	20.3
111.08070	24.9
119.08578	14.8
121.10163	25.1
123.11678	10.8
125.08841	9.3
133.10141	18.0
135.11682	11.7
137.09573	13.4
147.11671	30.0
149.09529	9.6
149.13245	18.9
151.11284	9.8
165.12738	20.0
210.13197	8.8
250.97615	9.7
277.21564	91.4
295.22528	24.4
351.25348	19.6
351.94647	9.8
369.26297	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03950	3.9
55.01864	6.3
55.05513	31.1
57.03444	15.7
57.07071	12.0
58.93098	1.8
59.04996	3.1
67.05505	75.1
68.05830	2.0
69.03447	3.6
69.07067	29.8
69.76846	4.3
71.04996	8.1
71.08633	33.3
79.05495	43.5
81.03414	14.7
81.07056	56.4
83.04983	10.2
83.08620	15.4
85.02925	4.3
85.06557	3.9
85.10183	18.9
89.32918	1.7
91.05476	28.6
93.07045	47.2
93.07604	3.3
95.04973	23.1
95.08604	28.8
97.06556	7.3
97.10164	14.2
99.08096	27.5
105.07034	24.5
107.04932	9.2
107.08594	32.2
109.06529	7.8
109.10159	34.1
111.08067	5.4
113.09630	13.9
117.07021	6.1
119.08562	13.8
121.10162	13.9
123.08082	4.6
123.11703	7.6
125.09637	11.8
129.07048	2.8
131.08571	5.0
133.10141	18.8
135.08052	1.8
135.11678	14.7
137.09659	3.8
141.12787	2.1
143.08549	3.8
145.10127	9.6
147.11693	9.8
149.09647	4.8
149.13268	8.1
151.11186	42.6
152.11601	2.6
159.11691	4.5
160.11119	2.5
161.09676	2.3
161.13260	11.1
163.10013	2.7
163.11157	13.1
163.14806	2.3
165.12750	31.8
169.12231	4.4
171.10193	2.6
171.11731	4.0
173.11725	15.4
173.13123	3.9
175.11255	3.3
175.14807	4.0
178.31444	2.3
179.14296	12.5
181.12340	2.1
184.11301	2.5
185.13307	3.1
186.12363	1.9
187.13327	2.5
189.11218	16.8
189.12782	3.6
193.15862	2.3
195.13777	2.5
207.13818	4.1
227.12808	14.9
231.20984	2.7
241.19574	7.4
245.13823	8.8
249.22092	2.5
253.18002	12.9
259.20596	10.8
265.14566	1.9
269.17609	3.7
277.21625	100.0
278.22128	9.0
295.22681	81.2
296.22998	6.3
338.17554	5.1
351.25330	42.3
352.25839	5.0
369.19022	22.4
369.26297	32.7
370.20102	13.2
370.26785	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02514	1.3
57.03428	8.5
57.07077	60.9
59.50171	1.2
61.02945	1.2
67.05511	1.6
67.81108	1.5
69.03429	2.6
70.06589	8.8
73.02911	3.4
79.68269	1.4
84.08165	3.1
85.02910	10.3
85.06545	76.5
93.05230	1.5
95.01325	7.7
96.08118	2.1
97.08941	1.5
103.03929	1.5
103.07571	6.5
110.09670	3.1
113.02361	6.0
117.03387	6.0
118.03716	4.7
131.03375	1.4
134.31741	1.4
136.11197	2.5
138.12782	28.9
141.01837	17.9
145.02847	11.7
146.03191	13.8
149.06021	2.2
150.06339	1.5
158.77670	1.3
159.02951	2.8
159.10176	100.0
160.10522	1.7
162.12851	1.8
174.12791	46.0
177.05489	24.7
177.11218	76.7
178.05803	28.8
178.11626	2.3
210.14969	5.0
236.16406	2.4
255.76898	1.4
264.15930	14.2
272.16525	1.6
273.17252	19.7
274.91858	1.5
335.13440	1.9
338.20044	1.9
352.21210	8.6
358.61270	1.8
370.21902	24.0
371.20642	2.6
378.86774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	9.0
57.07078	60.5
59.12538	1.5
61.02935	1.5
64.09676	1.3
69.44643	5.9
69.79803	1.5
70.06586	1.6
73.02910	3.5
81.07026	1.8
85.02902	10.9
85.06544	73.0
95.01345	6.0
95.08064	1.4
95.08656	1.6
98.23421	2.7
99.58212	1.4
103.07557	8.4
103.13170	1.4
103.21332	1.3
113.02352	4.4
124.11247	5.4
131.03391	2.3
141.01805	14.9
146.05983	2.0
150.09132	2.8
159.02890	2.3
159.10175	100.0
160.10451	1.6
162.81512	1.3
164.56654	1.4
176.14471	1.4
177.11220	71.4
178.11613	1.5
248.16312	1.9
256.96140	1.5
281.98972	1.4
317.12305	1.8
335.13266	1.8
352.15823	5.9
352.21146	5.2
370.16925	20.3
370.22229	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	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01869	1.6
57.03426	5.0
57.07069	5.7
61.02915	5.5
69.03429	22.2
69.23319	1.5
69.74170	4.7
69.74512	1.8
71.04990	2.6
73.02900	7.7
81.03409	11.9
81.25068	1.8
85.02903	80.9
85.06566	8.3
87.04472	29.2
91.03944	4.2
97.02885	21.0
98.22743	2.8
99.04443	6.2
109.02876	11.9
115.03926	100.0
117.31987	1.5
127.03921	33.2
128.28462	1.6
133.04970	40.9
145.04959	40.6
159.10201	12.1
163.05981	11.7
174.87405	1.6
175.05908	2.4
177.11252	6.2
181.10330	1.8
207.19054	1.5
259.08179	13.1
277.09161	34.5
335.13428	2.9
370.16934	6.5
370.21710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1863
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
54.23925	0.5
54.59868	0.5
55.01868	0.8
55.05497	1.0
55.58141	0.6
56.96567	9.2
60.95842	0.7
61.02921	0.8
63.51714	0.6
67.05499	2.6
69.03433	10.8
69.07065	0.7
69.13342	0.5
69.41457	2.2
70.06592	10.9
71.04993	8.4
72.08146	0.6
77.14787	0.5
79.05489	1.9
80.05026	1.4
81.03413	0.7
81.07053	2.7
82.06588	0.9
83.01341	2.4
83.04990	1.7
83.07359	1.4
84.08143	15.4
85.02909	2.6
85.06560	1.1
86.06042	0.9
87.04470	1.8
91.05481	1.3
93.07042	2.0
94.06564	1.2
95.04970	7.8
95.07330	0.7
95.08604	2.8
96.08118	3.1
97.02882	1.7
97.06532	1.7
97.08911	8.6
98.06077	1.0
98.23405	1.2
98.97582	1.8
99.04464	3.1
101.06010	0.7
105.07042	1.8
107.08612	0.9
109.06511	2.7
110.09666	1.4
111.04395	0.8
111.08082	43.3
111.10426	1.4
112.08427	1.2
112.89812	0.6
115.03956	3.1
116.98606	0.7
119.08571	0.6
120.08109	1.1
121.06495	1.1
121.10188	1.1
122.09669	2.6
123.08064	4.6
124.07572	0.7
124.11212	0.7
125.06007	0.8
127.03923	1.9
129.05528	3.6
130.93289	1.1
134.09676	1.4
135.08052	1.3
136.11217	6.2
137.05995	2.0
138.09160	1.2
138.12793	0.9
139.07562	1.8
141.09148	4.6
143.03429	1.8
145.04965	1.1
145.06461	0.6
147.08060	1.0
149.09619	1.1
150.09132	3.0
152.10689	2.3
154.12326	1.7
155.07028	2.9
159.08041	1.2
161.09650	1.0
164.10765	0.7
164.14337	2.3
165.09161	1.4
167.07111	1.3
168.10219	2.5
169.08556	1.0
172.94420	1.3
176.03807	0.6
177.09068	1.4
178.05443	1.0
179.05693	1.2
179.07051	0.9
179.10643	1.0
180.13843	2.4
182.11790	10.2
184.09697	0.8
187.07523	1.0
189.09108	1.5
190.95407	1.8
193.12238	1.3
196.06531	0.9
197.08136	4.6
205.08606	1.7
207.12538	1.6
208.13394	2.6
209.08043	1.2
210.14900	1.9
214.95444	0.8
216.97142	0.7
219.10297	0.8
221.11707	1.3
222.04439	2.6
223.04724	2.4
223.09636	2.0
224.97514	0.9
226.14520	0.8
232.96454	1.4
233.08142	1.3
234.14926	1.9
236.16451	2.3
237.11276	2.1
240.05421	2.2
241.05803	1.8
242.98569	1.4
244.96362	0.7
247.09633	2.5
260.99667	1.1
262.18103	2.2
262.97513	1.0
264.16055	1.2
265.10693	5.5
268.96664	0.7
276.99194	0.7
282.12851	0.6
282.16937	1.9
283.11899	1.6
286.97479	5.6
292.18997	0.8
300.18130	2.4
304.98572	12.5
306.17111	0.7
308.18680	1.0
322.20108	4.3
322.99579	1.1
324.18018	1.0
328.98605	1.1
334.16467	3.7
334.20224	1.8
340.21097	2.9
346.99591	0.8
352.17523	91.7
352.21271	11.9
353.17828	6.3
353.21643	1.1
370.11996	8.7
370.18488	72.2
370.22333	100.0
371.13138	3.0
371.18787	5.8
371.22986	5.6
389.00488	0.8
391.55118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.6
67.98755	0.1
69.03400	0.2
69.07053	0.2
69.37696	0.4
69.38100	0.3
70.06564	0.1
79.05495	0.4
81.07063	0.8
91.05476	0.2
93.07040	0.3
95.08604	0.2
106.06562	0.2
107.08585	0.4
109.06539	0.2
109.37646	0.1
118.06548	0.4
119.07298	0.2
121.10142	0.2
130.06529	0.2
131.07353	0.3
131.08455	0.2
132.08090	1.3
133.10069	0.2
134.09695	0.2
137.06013	0.2
138.12762	0.2
144.08092	0.4
145.08904	0.9
145.09981	0.2
146.09605	0.4
158.09669	0.4
159.10443	0.2
160.11218	100.0
161.11569	4.9
186.12827	0.3
187.13377	0.2
188.14371	0.8
211.71994	0.2
214.12294	0.3
218.11775	0.2
232.13326	5.2
233.14105	22.3
234.14529	1.7
243.21118	0.2
246.83643	0.1
261.22144	0.7
324.19693	0.4
352.19141	0.3
353.26776	0.2
356.09485	0.3
370.20148	12.3
371.20499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2014
Annotation	Spirasine III
Peak:m/z	Relative Intensity
50.87822	0.7
55.05519	1.0
55.59397	0.7
57.07071	3.1
58.06588	0.8
58.45581	0.7
60.48517	0.7
66.84630	0.7
69.03413	0.8
69.07080	1.2
71.05036	1.1
71.08624	1.8
79.05479	0.8
81.07053	1.9
83.01339	1.3
83.08614	0.9
93.07038	0.9
94.06579	1.8
95.08627	2.5
107.08672	0.9
109.10208	0.9
115.06978	0.7
120.08096	1.6
136.11180	1.1
149.02338	2.2
155.03416	1.1
156.17470	1.6
158.09691	2.3
160.11252	1.1
162.12769	0.9
170.09668	2.1
171.10449	1.2
172.11256	4.5
174.18507	1.4
176.14343	2.9
180.27026	0.8
182.09621	1.2
183.10356	0.9
184.07600	1.9
184.11264	3.5
185.08392	2.0
186.09148	5.1
192.13774	0.9
194.09674	2.1
200.10693	11.0
201.11485	1.5
204.13808	3.8
208.11224	1.5
209.11885	1.3
212.10713	1.8
214.12312	1.0
214.15860	4.3
215.16673	1.4
216.13921	1.1
222.09154	2.5
222.12723	1.9
223.13362	0.8
226.12302	1.3
226.15768	1.9
227.12956	1.3
227.16658	1.3
228.17545	1.1
230.24896	1.6
234.12794	0.9
236.10732	3.2
237.11470	10.4
238.08600	1.0
238.12279	3.9
240.13853	1.6
242.15401	4.6
243.16127	3.9
243.62895	1.0
247.09718	1.7
249.11433	0.8
250.12259	5.4
251.13086	2.6
252.10139	3.0
253.11063	0.9
254.11775	1.8
254.15398	1.5
254.28383	1.3
255.16206	2.2
256.16919	1.4
266.11844	1.8
266.19016	1.0
267.12268	1.3
268.13187	2.2
280.09869	1.2
280.13245	0.9
282.14902	2.3
292.16919	1.5
293.17645	1.3
294.11298	3.2
294.18536	10.1
295.12158	1.8
295.18771	1.7
296.12759	1.0
296.16364	0.9
308.16458	1.4
309.17200	1.9
310.18045	3.6
324.19516	1.7
326.21066	2.9
336.15921	1.8
337.16666	1.0
342.20746	1.0
352.18930	2.5
369.42752	1.1
370.20135	100.0
370.40359	7.5
371.20450	10.0
371.27554	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	370.2017
Annotation	Spirasine III
Peak:m/z	Relative Intensity
55.05506	1.4
57.06813	1.0
57.07079	10.0
60.08160	0.6
67.05516	1.2
67.33170	0.8
68.05029	1.0
69.03435	4.3
69.07100	0.9
69.27511	3.6
71.04999	0.9
71.08636	16.1
81.07035	0.9
83.01350	12.8
83.05009	1.0
85.10190	9.2
86.42694	0.6
89.06030	7.3
91.05479	4.7
93.07037	5.3
95.04980	2.8
95.08643	1.5
99.04471	0.7
103.05491	1.3
106.06548	1.1
108.05771	1.1
108.08152	0.8
109.10117	0.8
117.07082	0.7
118.06565	1.8
120.08096	3.2
121.06509	18.5
123.08076	3.4
124.11262	0.9
127.14797	0.7
130.06566	1.0
132.08072	0.8
133.08612	3.5
136.05318	0.7
136.07594	17.3
139.07536	1.1
143.07408	0.7
146.09697	0.7
147.08093	0.9
148.07634	3.0
149.08424	4.3
151.07530	0.7
156.08154	0.7
158.09683	1.2
160.11246	2.0
162.09161	1.8
162.12828	2.5
164.14340	0.7
165.09128	9.9
170.09689	2.2
171.10443	1.8
173.08330	1.3
174.09169	2.5
174.12820	1.3
176.14346	1.1
179.07004	3.7
180.08087	0.9
181.08826	0.8
182.09618	2.0
183.10406	1.4
184.11223	1.5
185.11923	1.0
186.09239	1.5
187.09959	1.8
188.10754	3.9
190.12320	0.8
190.98114	0.7
192.13838	70.2
193.14215	3.3
194.09586	0.8
196.07539	0.9
196.11253	1.2
198.09128	1.4
200.10715	8.5
201.11349	1.3
202.15916	1.2
202.21706	0.9
204.13795	3.4
207.10327	0.6
208.11230	1.5
209.11880	2.3
210.09174	1.4
210.12805	1.4
212.10736	0.9
212.14348	1.2
214.15997	0.7
216.10089	0.7
216.13809	1.6
220.11191	0.9
222.12827	1.9
223.09984	0.8
224.10744	1.1
225.11609	0.8
226.08687	4.0
226.12253	1.3
226.15913	0.9
227.12784	27.8
228.17476	0.7
230.15430	7.1
230.25031	0.8
236.10732	2.3
237.11424	2.3
238.08620	0.8
238.12233	4.7
238.15894	0.7
239.09512	0.8
239.13066	0.7
240.10219	1.9
240.13821	1.0
242.15376	0.9
243.16232	1.2
249.11411	1.5
250.12285	4.2
251.12933	1.3
252.10213	3.3
252.13995	0.9
253.10901	1.9
254.11755	2.4
254.15405	3.2
264.10309	1.3
264.13821	1.3
264.17532	1.8
265.10989	0.9
266.11737	5.5
267.08969	0.7
267.12488	2.6
268.13358	1.5
270.11285	1.1
277.11084	0.8
278.11749	2.0
280.09650	1.8
281.10556	1.9
281.14120	1.5
282.11273	11.9
282.14856	3.5
283.11578	1.0
284.13174	0.8
284.16556	1.9
292.13361	0.8
292.16998	3.3
293.17590	1.7
294.11417	3.0
294.15234	0.7
294.18625	2.2
295.12021	2.6
296.12762	4.7
296.16327	1.1
309.17307	1.2
310.14532	1.3
310.17984	1.4
320.16464	5.9
324.19568	6.7
334.17981	1.6
337.16849	0.9
338.17587	8.5
352.19083	26.7
353.19470	2.7
355.17621	1.0
369.42758	1.4
370.20142	100.0
370.40463	11.6
371.20480	12.2
388.52634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2016
Annotation	Spirasine III
Peak:m/z	Relative Intensity
53.11502	0.7
57.07063	0.7
59.87418	0.6
67.05518	0.9
69.07072	0.8
69.27964	2.3
70.34631	0.6
73.74023	0.7
79.05506	0.9
80.05009	0.9
81.07070	0.9
83.01349	1.0
91.05423	0.7
94.06571	1.6
95.08617	0.9
128.06207	2.7
136.11263	1.6
139.02066	0.6
143.08539	1.7
144.08116	0.8
158.09633	1.1
162.12766	1.1
170.09685	1.3
171.08110	1.8
171.10431	0.8
172.11229	2.6
176.14320	0.9
180.08070	1.0
182.09653	1.3
183.10524	0.9
184.07515	0.7
184.11214	2.2
186.09129	1.9
186.12753	0.8
187.09984	0.9
193.21100	0.6
194.09715	3.8
195.10457	1.7
196.11234	1.1
198.09131	1.2
200.10742	4.7
201.11432	0.6
204.13828	1.1
206.09634	0.9
208.11197	4.5
209.12013	4.3
210.12766	2.5
212.10722	2.2
214.15903	1.9
216.10109	1.8
218.09828	0.8
220.11238	1.0
221.11946	1.3
222.09074	3.4
222.12758	3.1
223.09875	1.9
223.13524	1.5
224.10732	1.5
224.14343	4.0
226.12218	1.6
226.15857	1.0
227.16603	0.8
230.15590	1.0
234.09090	0.8
236.10699	10.8
236.14345	0.8
237.11473	11.8
238.08601	1.1
238.12253	5.8
238.15926	1.3
240.10207	1.4
240.13823	4.6
240.17560	1.0
242.15358	3.0
243.16223	1.8
250.12230	6.9
251.13097	3.3
252.10278	1.5
252.13792	1.3
254.11804	1.6
254.15355	1.6
255.16212	2.5
256.17041	1.0
264.14474	1.1
264.17493	9.5
265.18073	0.8
266.11749	3.4
266.15472	1.9
266.18970	6.4
267.12582	1.7
267.19656	1.1
268.13358	5.0
268.16418	0.9
272.16443	4.5
276.17456	1.1
278.15442	1.5
279.16156	2.1
280.09921	0.7
280.13367	1.3
280.16684	0.8
282.14832	1.4
283.19373	1.2
292.17007	5.4
293.17612	1.0
294.11505	3.7
294.18521	40.5
295.12003	1.2
295.18887	3.5
296.16574	1.0
296.20078	1.9
298.21588	1.9
308.16727	0.7
309.17081	1.6
310.17999	1.6
311.18707	1.6
313.13046	2.3
314.13831	1.4
320.16559	1.4
322.14365	0.7
324.19574	8.4
325.20044	1.2
326.21136	33.2
327.21594	2.8
337.16687	1.6
338.17459	3.8
352.19077	14.6
353.19339	0.9
370.20123	100.0
371.20496	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	370.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11502	0.7
57.07063	0.7
59.87418	0.6
67.05518	0.9
69.07072	0.8
69.27964	2.3
70.34631	0.6
73.74023	0.7
79.05506	0.9
80.05009	0.9
81.07070	0.9
83.01349	1.0
91.05423	0.7
94.06571	1.6
95.08617	0.9
128.06207	2.7
136.11263	1.6
139.02066	0.6
143.08539	1.7
144.08116	0.8
158.09633	1.1
162.12766	1.1
170.09685	1.3
171.08110	1.8
171.10431	0.8
172.11229	2.6
176.14320	0.9
180.08070	1.0
182.09653	1.3
183.10524	0.9
184.07515	0.7
184.11214	2.2
186.09129	1.9
186.12753	0.8
187.09984	0.9
193.21100	0.6
194.09715	3.8
195.10457	1.7
196.11234	1.1
198.09131	1.2
200.10742	4.7
201.11432	0.6
204.13828	1.1
206.09634	0.9
208.11197	4.5
209.12013	4.3
210.12766	2.5
212.10722	2.2
214.15903	1.9
216.10109	1.8
218.09828	0.8
220.11238	1.0
221.11946	1.3
222.09074	3.4
222.12758	3.1
223.09875	1.9
223.13524	1.5
224.10732	1.5
224.14343	4.0
226.12218	1.6
226.15857	1.0
227.16603	0.8
230.15590	1.0
234.09090	0.8
236.10699	10.8
236.14345	0.8
237.11473	11.8
238.08601	1.1
238.12253	5.8
238.15926	1.3
240.10207	1.4
240.13823	4.6
240.17560	1.0
242.15358	3.0
243.16223	1.8
250.12230	6.9
251.13097	3.3
252.10278	1.5
252.13792	1.3
254.11804	1.6
254.15355	1.6
255.16212	2.5
256.17041	1.0
264.14474	1.1
264.17493	9.5
265.18073	0.8
266.11749	3.4
266.15472	1.9
266.18970	6.4
267.12582	1.7
267.19656	1.1
268.13358	5.0
268.16418	0.9
272.16443	4.5
276.17456	1.1
278.15442	1.5
279.16156	2.1
280.09921	0.7
280.13367	1.3
280.16684	0.8
282.14832	1.4
283.19373	1.2
292.17007	5.4
293.17612	1.0
294.11505	3.7
294.18521	40.5
295.12003	1.2
295.18887	3.5
296.16574	1.0
296.20078	1.9
298.21588	1.9
308.16727	0.7
309.17081	1.6
310.17999	1.6
311.18707	1.6
313.13046	2.3
314.13831	1.4
320.16559	1.4
322.14365	0.7
324.19574	8.4
325.20044	1.2
326.21136	33.2
327.21594	2.8
337.16687	1.6
338.17459	3.8
352.19077	14.6
353.19339	0.9
370.20123	100.0
371.20496	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	370.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.2
55.05513	13.0
57.07081	2.7
57.81358	1.7
58.99598	2.8
61.01154	3.1
65.03951	3.4
67.05507	22.1
69.07078	9.1
70.06601	5.6
71.05009	3.0
71.08649	3.7
73.01150	7.8
79.05496	23.2
81.07065	42.1
82.06578	2.4
83.05006	1.8
83.08632	1.8
84.97507	5.6
85.01134	3.5
87.02647	1.6
91.05480	15.5
93.07062	13.1
95.04985	4.2
95.08641	9.7
96.04482	1.9
97.01123	6.3
97.06568	3.1
98.09721	6.9
99.02689	8.3
105.07043	11.1
105.07638	1.9
107.04979	4.2
107.08595	18.3
109.06545	4.0
109.10178	4.2
111.02688	8.3
112.02220	6.4
113.00591	5.6
115.05810	7.7
117.07035	4.2
119.08601	8.3
121.06527	3.7
121.10152	6.8
122.06061	5.4
123.08060	2.4
124.11230	6.7
125.04203	2.4
126.03756	3.6
126.98503	5.1
127.02166	11.1
128.06180	4.4
131.64006	1.9
133.10149	5.0
135.02637	2.2
135.08075	5.3
135.11702	2.8
138.03752	3.2
138.12808	4.4
139.02132	9.9
140.06924	1.7
141.07314	3.0
143.08594	7.7
145.10150	4.9
146.09695	1.9
147.08047	3.3
149.06006	4.5
151.05824	3.1
152.10719	8.8
153.07106	2.3
154.03246	1.9
160.11234	7.9
161.09639	5.9
163.02092	2.4
168.08376	2.1
169.06822	10.2
170.11783	2.7
171.08044	3.1
172.08778	4.5
177.07368	5.7
178.12387	2.4
182.10007	14.9
187.05800	2.3
189.09082	9.4
194.10065	4.3
195.08401	4.4
197.08824	1.8
205.06868	13.2
206.11798	8.8
208.11638	5.9
209.11676	2.3
210.09499	3.6
222.09441	3.4
223.07858	14.1
224.12869	5.7
236.11111	5.2
254.12123	2.7
260.20142	8.3
264.17963	4.0
274.16428	2.3
278.21201	5.4
292.17343	11.1
293.17563	2.7
302.15512	2.3
306.17099	2.0
309.39670	1.9
310.18414	14.7
320.16821	65.8
321.17096	7.2
338.17850	100.0
339.18457	10.2
352.19421	17.6
370.20465	51.9
371.21344	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2224
Annotation	Cinnabaramide D
Peak:m/z	Relative Intensity
50.40841	0.4
55.01851	1.7
55.05510	0.4
56.05032	0.4
57.03415	1.8
59.04981	0.5
67.05479	1.5
69.03396	1.4
69.07062	0.6
69.76223	0.8
69.76620	0.8
70.06560	1.2
79.05500	0.7
80.05022	0.7
81.07013	1.0
82.06567	0.7
84.08105	0.6
85.02904	4.0
91.05482	0.7
93.07003	1.1
94.06524	1.7
95.04944	0.4
95.08593	0.8
96.08097	1.4
97.06519	0.7
97.08880	0.6
103.03915	0.7
103.61314	0.3
105.06991	1.0
107.08517	0.4
108.08134	1.2
110.09695	2.8
111.08078	0.6
112.11220	0.8
117.07028	0.7
119.08517	0.4
120.08093	1.0
122.09647	1.6
123.04385	0.5
124.11249	5.2
125.05992	2.2
134.09592	1.6
135.10434	0.6
136.11217	6.3
141.09091	1.4
145.02797	0.8
146.03148	1.0
148.11180	1.1
150.09126	2.1
150.12778	0.4
152.10690	0.7
158.09558	0.4
162.12788	9.0
168.10213	0.7
176.10677	1.1
177.05414	1.1
178.05786	1.4
178.12360	0.6
190.12250	1.6
190.15927	0.6
200.14439	0.5
206.11716	0.6
208.13318	1.2
208.16887	0.7
218.15421	1.0
226.74242	0.4
234.14934	0.5
236.16455	8.7
238.14368	2.9
246.14877	1.0
250.18040	3.2
264.15945	56.7
265.16312	4.2
268.19101	6.8
278.17542	1.3
296.18585	8.4
297.18619	0.5
302.17526	0.5
320.15201	0.4
320.18542	2.8
324.21796	0.7
326.23270	0.9
334.20010	0.8
338.19632	7.7
339.19983	0.5
352.21173	44.0
353.21512	4.0
370.22244	100.0
371.22589	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	370.2226
Annotation	cilostazol
Peak:m/z	Relative Intensity
54.25409	0.2
55.01870	1.4
55.05502	0.5
56.05028	0.6
57.03430	1.2
59.05000	0.3
62.09109	0.2
67.05486	0.8
68.01560	0.2
68.05029	0.4
69.03432	1.1
69.07053	0.5
69.63207	0.9
70.06596	1.2
70.64864	0.3
79.05470	0.7
80.05000	1.0
81.03388	0.4
81.07030	0.8
82.06566	0.8
83.04955	0.4
84.08124	0.6
85.02416	0.4
85.02903	5.3
87.04453	0.7
91.05462	0.7
93.07030	1.2
94.06574	1.6
95.04960	0.5
95.07356	0.6
95.08581	0.6
96.08120	1.5
97.02863	0.4
97.06526	0.5
103.03920	0.8
105.07026	0.5
106.06564	0.3
107.08569	0.6
108.08109	0.8
110.08973	0.3
110.09681	3.6
112.07563	0.3
112.11221	0.7
115.03946	1.5
117.07026	0.4
119.08568	0.5
120.08058	0.7
122.09689	1.8
123.04411	0.4
124.11242	3.2
125.05999	2.2
125.09605	0.7
127.03880	0.3
131.08569	0.4
132.08057	0.3
133.04901	0.5
133.10071	0.4
134.09637	1.1
136.11214	6.2
137.09598	0.3
138.12834	0.3
141.09076	1.2
145.04933	0.5
145.10120	0.5
146.06013	13.2
147.10387	0.2
148.11205	1.1
150.09132	1.4
150.12724	0.3
152.10710	0.7
160.09538	0.2
160.11191	0.6
162.09096	0.5
162.12788	7.0
163.05928	0.2
164.10640	0.3
168.10213	0.4
172.11209	0.4
176.10648	0.6
176.14363	0.3
178.12238	0.8
179.03380	0.8
180.13895	0.2
188.14432	0.2
190.12198	1.5
190.15897	0.6
192.06558	9.0
194.11708	0.3
206.11789	0.5
208.13300	0.6
208.17021	0.3
210.14882	0.4
218.15402	0.8
220.17006	0.3
226.94917	0.2
232.13408	0.3
234.14824	0.3
236.12944	0.3
236.16449	6.5
237.16777	0.6
238.14320	2.3
244.53203	0.2
246.14972	0.6
250.18037	2.2
264.15945	47.4
265.16269	3.2
268.19064	6.1
269.19409	0.4
274.17996	0.4
277.09198	0.7
278.17508	1.0
292.19180	0.6
294.20740	0.6
296.18533	6.2
297.18863	0.3
301.66638	0.2
302.17142	0.3
308.22253	0.7
320.18600	2.5
321.18979	0.3
324.21649	0.3
326.23157	1.1
334.19998	0.5
338.19598	7.2
338.26041	0.3
339.19955	0.7
352.21176	38.3
353.21487	3.3
370.22235	100.0
371.22571	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	370.2224
Annotation	cilostazol
Peak:m/z	Relative Intensity
53.60551	0.2
55.01871	0.9
55.05495	0.5
56.05041	0.4
57.03438	6.3
61.02933	3.4
67.05492	0.9
68.05020	0.3
69.03431	1.4
69.72760	0.9
69.73114	0.4
70.06586	1.0
71.04991	0.5
73.06550	0.4
76.04028	0.3
79.05497	0.6
80.05019	0.6
81.07049	0.5
82.06577	0.6
84.04499	1.0
84.08158	0.6
85.02906	12.1
91.05472	0.4
93.07060	0.7
94.06557	0.8
95.08604	0.6
96.08123	0.9
97.06521	0.3
99.04463	0.8
103.03951	0.5
105.07047	0.8
107.08605	0.6
108.08095	0.4
110.09684	2.3
112.11266	0.6
117.05490	3.7
119.08600	0.3
120.08095	0.6
121.08884	0.3
122.09674	1.1
123.04378	0.2
123.08077	0.8
123.10471	0.3
124.07623	0.4
124.11205	2.5
125.06033	1.2
125.09615	1.1
130.05003	0.5
134.09663	1.2
135.10403	0.3
135.90898	0.2
136.11203	6.0
145.10126	0.4
146.06004	0.9
148.11185	1.0
150.09155	1.2
152.10767	0.7
155.10652	0.6
160.11171	0.4
162.09090	0.4
162.12773	4.0
164.10762	0.3
172.11389	0.3
174.12807	0.4
176.10814	0.3
176.14395	0.6
178.05806	0.4
180.13747	0.4
182.11868	0.5
184.13440	0.3
186.12849	0.2
188.14299	0.3
190.12300	0.6
192.06554	0.5
192.13791	0.3
206.15370	0.4
218.15482	0.9
221.49556	0.3
234.14809	1.4
236.16444	12.7
237.16852	0.7
246.14894	0.9
250.14407	0.5
250.18005	1.0
252.15956	3.0
254.17517	8.9
255.17986	0.6
260.55121	0.3
264.15927	1.9
268.19113	0.4
274.18027	0.4
276.19333	0.4
278.17499	17.5
279.17819	1.5
292.19336	0.4
296.18539	1.7
302.17380	0.3
320.18610	4.3
321.19058	0.3
324.21548	0.3
338.19586	2.8
339.20004	0.4
352.21170	12.5
353.21536	1.0
357.32632	0.3
370.22235	100.0
371.22583	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	370.2227
Annotation	cilostazol
Peak:m/z	Relative Intensity
51.88893	0.2
55.01856	0.5
55.05511	1.1
56.96562	0.8
61.02936	0.7
67.05499	1.0
69.03428	1.8
69.07066	0.5
69.96938	0.4
69.97250	0.5
70.06609	1.5
71.04997	5.0
71.07351	0.3
75.66853	0.2
79.05513	1.1
80.05019	1.3
81.07069	1.1
82.06570	0.4
83.01342	0.3
83.04986	0.4
84.08147	2.4
85.02904	0.5
85.06567	0.5
86.06042	0.3
87.04452	0.5
91.05492	1.0
93.07060	1.1
94.06582	1.0
95.04968	1.7
95.08595	1.3
96.08141	1.1
97.06516	0.8
97.08922	0.3
98.97595	0.9
99.04459	0.5
100.07604	0.5
101.06013	0.5
105.07056	0.5
107.08595	0.3
108.08140	0.8
109.06501	0.4
109.10176	0.4
110.09677	0.7
111.08089	3.7
112.07603	0.6
117.06998	0.3
119.08609	0.6
120.08170	0.3
121.01770	0.2
121.10174	0.5
121.45482	0.3
122.09658	3.1
123.08082	1.5
124.07638	0.6
124.11266	0.4
125.05973	0.5
125.09627	0.5
126.09159	0.5
127.03953	0.3
129.05495	0.4
130.93309	0.8
134.09653	0.8
135.08084	0.6
136.11229	5.7
137.05997	0.4
137.09662	0.5
137.11583	0.3
138.12764	0.3
139.07573	0.3
141.09120	0.8
142.08629	0.6
148.11247	0.4
149.09628	0.5
150.09164	3.0
152.10725	2.0
153.09151	0.4
154.12338	0.3
155.06952	0.3
156.03336	0.3
158.92769	0.5
160.11246	0.8
162.12769	0.9
164.10680	0.5
164.14363	1.5
165.09131	0.7
165.14668	0.3
166.12343	0.4
168.10194	1.9
170.11801	0.4
171.10143	0.3
172.94409	0.8
173.01237	0.5
175.04568	0.3
176.14510	0.3
180.10251	0.3
180.13828	0.5
182.11774	10.4
183.12234	0.4
184.13353	0.6
188.10712	0.3
190.15901	0.3
190.95348	0.4
198.11273	0.3
198.95940	0.5
200.97523	0.5
204.13741	0.4
208.13329	0.4
209.44482	0.3
210.95949	0.5
216.96986	0.8
222.14937	0.4
224.97487	0.4
226.95441	0.7
228.96991	2.8
232.96567	0.3
232.99452	0.2
233.14172	0.3
234.14925	2.4
236.16476	2.1
242.98509	0.4
244.44556	0.2
244.96463	3.7
246.15024	0.4
246.98024	1.6
252.15956	0.3
253.01672	0.3
260.16483	0.6
262.18021	1.4
262.97543	5.3
263.66937	0.2
264.16006	0.9
264.19611	0.5
274.18002	0.4
274.97418	0.5
280.98798	0.4
282.17081	1.5
286.97577	1.4
292.19235	0.5
292.98563	1.7
296.18658	0.4
300.18082	1.6
301.07864	0.3
304.19083	0.4
304.98505	2.6
306.17120	0.3
308.18518	0.5
322.20187	4.0
324.18222	0.4
324.99176	0.9
329.07227	0.5
334.20187	1.0
340.21249	2.8
343.00131	4.0
352.17432	2.6
352.21252	14.0
352.99005	0.8
353.17874	0.3
353.21289	1.2
361.01254	2.2
370.18655	6.8
370.22305	100.0
370.99756	3.8
371.18909	0.5
371.22638	9.0
385.79132	0.3
389.00739	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	370.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07349	0.3
55.01844	1.2
55.05488	0.7
56.05007	0.4
56.71525	0.3
57.03409	1.0
57.07050	0.3
67.05470	0.9
69.03411	0.8
69.07042	0.6
69.37279	1.3
70.06570	0.8
70.94590	0.3
71.04986	0.3
79.05476	0.8
80.04990	0.8
80.30807	0.3
80.31282	0.3
81.07027	0.6
82.06559	0.6
83.04960	0.7
84.08158	0.6
85.02489	0.2
85.02906	3.0
85.06536	0.5
90.04182	0.3
91.05461	0.7
93.07019	1.2
94.06567	1.3
95.04948	0.5
95.07329	0.5
95.08572	0.7
96.08141	1.5
97.06509	0.6
103.03916	0.8
105.07007	1.0
107.08575	0.7
108.08121	0.6
110.09678	2.6
111.08060	0.3
112.11217	0.6
113.06016	0.3
114.09106	0.5
117.03352	0.8
118.03675	0.6
119.08508	0.4
120.08094	0.7
121.08889	0.3
122.09663	1.4
123.04426	0.3
124.11234	4.3
125.05976	1.8
125.09595	0.9
132.08078	0.4
134.09627	1.1
134.58162	0.3
135.10303	0.3
136.11200	6.2
137.11668	0.3
141.09116	1.1
142.08585	0.3
145.02803	1.8
145.10114	0.3
146.03174	1.9
146.09648	0.5
148.11189	1.1
149.05989	0.5
150.09138	1.8
152.10695	0.9
153.09099	0.7
159.10211	0.3
160.11191	0.6
161.02385	0.4
161.92418	0.3
162.09142	0.7
162.12767	6.3
163.13103	0.5
166.12256	0.3
167.72873	0.3
168.10182	0.6
176.10704	0.7
177.05470	3.4
178.05807	4.4
178.12279	0.5
179.03409	1.3
182.15315	0.5
190.12212	1.4
190.15913	0.6
194.11783	0.3
206.11777	0.5
208.13373	0.8
208.17020	0.3
214.12328	0.5
218.15407	0.7
220.16856	0.3
228.13754	0.6
234.14908	0.6
236.16420	5.7
237.16833	0.5
238.14334	2.8
239.14702	0.3
240.15912	1.2
246.14867	0.8
248.16603	0.4
250.18044	1.7
264.15933	50.5
265.16290	4.1
268.19034	3.0
274.18036	0.4
278.17493	0.8
292.19113	0.6
296.18527	4.6
297.18863	0.6
308.22198	0.3
320.18503	2.1
321.19016	0.3
324.21713	0.4
326.23264	0.7
338.19595	7.6
339.20007	0.9
352.21161	37.6
353.21567	3.5
370.22223	100.0
371.17392	0.6
371.22577	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	371.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29286	2.8
55.05510	11.1
59.04994	3.2
69.03436	7.6
70.06601	22.0
72.08171	5.1
73.02910	6.5
80.05005	4.5
82.06569	2.9
83.04989	9.5
83.07345	4.7
84.04518	5.0
84.07664	3.5
84.08150	9.1
85.02898	16.1
86.09698	3.6
89.03208	2.7
94.06555	3.5
95.04978	5.7
95.08594	3.4
97.02925	3.9
97.07562	3.2
100.92437	2.8
101.06043	4.5
102.13027	3.0
108.43972	3.0
110.07199	3.5
111.08089	9.5
115.03952	6.2
118.82981	3.1
118.91562	3.0
123.16601	3.2
127.03943	3.4
129.05479	9.6
134.09680	5.1
136.06213	8.9
145.04996	4.9
146.06003	20.6
152.10753	3.4
157.08701	5.4
163.03899	9.6
163.05928	7.8
163.13290	3.1
172.94310	3.2
175.09654	12.2
182.43811	3.1
190.95505	4.9
192.06612	14.6
194.11644	3.6
209.97543	3.3
222.14911	5.7
226.42308	3.2
232.96510	8.4
246.98065	4.0
250.14375	3.5
252.16066	3.5
264.15970	7.4
268.15417	11.9
280.15372	4.0
307.17160	3.8
308.18607	11.6
312.77887	3.0
326.19647	18.3
352.17520	6.8
353.17752	13.1
354.18958	11.1
362.96283	3.6
370.18491	17.1
370.22379	8.4
371.07428	31.2
371.18890	50.1
371.22906	11.0
372.20007	100.0
372.23965	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1129
Annotation	Sesaminone
Peak:m/z	Relative Intensity
50.32363	0.3
51.02379	0.4
53.00308	0.3
53.03936	0.6
55.01859	1.1
65.03939	3.5
68.99804	0.8
71.36353	0.3
79.05508	2.1
81.03419	20.4
93.03407	1.2
95.01331	0.6
95.04943	0.9
97.06512	0.4
98.22706	1.0
103.05454	0.4
105.04539	0.5
109.10173	0.4
111.04450	0.9
115.05462	2.1
117.07025	0.9
121.02863	4.0
123.04414	0.9
128.06230	2.4
129.07008	7.4
131.04947	1.4
132.92036	0.3
133.02791	0.5
135.04416	44.9
136.04752	1.5
139.03902	1.6
143.04932	3.2
145.04010	0.4
145.06479	1.6
147.04329	0.5
149.02344	100.0
149.03378	5.4
150.02660	2.5
151.03885	3.0
155.04926	0.5
155.06038	0.4
157.06485	9.0
158.06927	0.3
159.04427	1.6
161.05981	0.8
163.03882	2.7
165.05551	0.4
166.55237	0.4
171.04408	2.4
173.06009	2.6
175.03931	0.9
175.07478	0.6
183.04445	0.3
185.05930	1.7
187.04048	0.4
187.05923	0.7
187.07544	7.2
189.05490	3.2
189.07071	1.1
190.07628	0.3
191.08485	0.9
201.05452	10.4
201.07256	0.6
201.37897	0.3
202.05846	0.7
203.07028	10.9
203.08810	0.7
204.07419	0.5
207.08130	0.6
208.08435	0.3
213.05493	1.2
217.06393	0.5
218.07248	0.5
219.06221	2.6
219.08110	1.7
220.08556	0.5
224.04733	1.0
231.06448	3.9
232.07043	0.4
235.07486	1.7
236.07964	0.9
237.09108	0.4
247.07555	2.5
248.07939	0.9
249.09131	1.0
255.06760	0.4
259.07504	4.0
262.06210	0.5
262.10052	0.6
263.07043	1.5
263.10226	1.6
264.07587	0.7
265.08426	1.9
275.07068	1.1
277.08658	2.1
278.09332	0.7
279.09824	1.0
280.07309	1.0
280.10297	0.7
281.04315	1.6
282.05243	6.3
287.07059	1.2
291.91547	0.4
293.08109	2.3
293.11728	0.9
294.08884	0.3
294.12067	6.5
295.09799	0.5
295.12848	1.3
305.08099	3.3
307.09628	1.6
308.06821	0.5
311.14920	1.8
317.08032	4.3
322.08466	0.6
323.09171	7.0
326.14734	0.6
335.09103	7.1
336.09546	0.7
341.10251	1.2
353.10208	8.2
371.11249	1.0
371.20227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.5
53.03949	0.7
55.01863	1.5
57.13033	0.4
58.53138	0.5
65.03940	2.9
68.99772	0.6
69.37956	2.1
71.78636	0.5
72.69040	0.4
77.03931	0.5
79.05495	1.8
81.03419	24.9
93.03431	1.0
95.01397	0.5
95.04955	1.1
98.23494	0.5
98.71328	0.5
100.30017	0.4
103.39249	0.5
105.03378	0.8
109.10163	0.5
111.04438	0.6
115.05457	1.9
121.02869	3.0
123.04369	0.6
128.06238	2.3
129.07004	6.4
131.04924	1.2
135.04416	44.8
136.04729	1.0
139.03894	1.2
141.46201	0.5
143.04959	2.4
145.06517	1.3
149.02345	100.0
149.03394	5.2
150.02722	3.1
151.03908	2.7
155.04945	0.8
157.06490	10.3
159.04399	1.9
161.05952	0.8
163.03886	2.8
171.04402	2.1
173.06001	1.8
175.03932	0.6
176.70682	0.6
185.06010	1.4
187.03896	0.6
187.07524	7.4
189.05476	2.2
189.06902	0.6
191.08513	1.1
193.04958	0.7
201.05482	10.2
201.07257	1.0
203.07025	15.7
203.08861	1.0
204.07370	0.6
207.08154	0.6
211.38715	0.5
213.05469	2.2
217.06456	0.7
219.06474	1.9
219.08376	2.3
224.04683	1.0
229.06667	0.6
231.06468	5.3
231.08308	0.4
235.07533	1.3
247.07515	2.9
249.09229	0.7
253.04715	0.5
259.07532	5.1
260.07837	0.6
263.06998	0.8
265.08640	1.7
275.06998	2.0
277.08661	1.9
281.04468	1.9
282.05182	7.4
287.07056	2.1
293.08121	1.7
294.12054	0.8
305.07999	4.1
307.09644	1.8
317.08084	5.7
318.08267	0.8
323.09146	6.1
335.09216	7.8
336.09476	1.0
341.10236	1.4
344.63910	0.6
353.10217	9.0
354.10629	0.9
370.19885	0.6
371.11307	0.9
371.20471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62032	2.1
56.96571	91.5
59.05012	2.3
69.03417	5.3
70.06606	5.2
80.05035	5.4
81.03432	2.0
81.07075	2.8
84.08151	4.4
84.96053	10.1
85.02901	5.6
86.09715	61.6
86.10227	5.0
87.10040	17.7
89.81388	2.2
91.93500	2.2
95.04991	3.8
97.02893	5.7
98.97590	87.6
106.06570	3.3
110.97586	19.6
112.99138	2.6
114.95547	2.7
115.03880	2.2
116.98629	43.5
120.08186	2.6
123.08131	2.7
124.99158	4.0
127.00704	6.4
127.03927	3.0
128.98616	19.3
130.93317	20.8
131.00160	4.1
132.10213	36.4
132.96609	9.2
133.10542	14.5
134.99646	16.5
136.11263	2.9
136.99141	4.3
138.09277	2.5
143.00203	11.5
145.01724	5.6
146.99667	11.8
147.06491	4.0
148.94350	5.1
150.05524	9.6
152.98616	6.8
153.00797	2.4
154.93289	3.0
155.00137	16.1
158.92796	6.7
158.99695	3.4
160.06509	5.0
160.96086	2.8
161.01216	15.8
165.00696	3.0
166.12361	4.5
170.99712	10.4
172.94366	16.8
173.01231	28.2
174.97690	9.0
176.93861	6.9
177.00725	5.5
179.02167	2.5
181.05042	2.8
182.96404	2.7
184.94423	3.1
184.99731	4.0
188.05940	4.7
188.99342	2.5
189.00656	12.7
190.95441	17.9
191.02234	16.4
192.98752	4.9
197.97073	2.3
198.95929	2.7
200.97533	5.0
200.99217	15.5
201.00830	4.0
202.95427	3.9
202.99092	5.1
203.00786	26.2
206.07007	12.5
207.01839	13.2
208.96461	6.2
208.99730	3.4
209.03348	4.6
209.06003	5.0
209.09265	6.9
213.06104	5.1
214.95387	5.2
216.96884	10.2
216.98766	24.0
218.98346	5.2
219.00221	15.0
219.02066	25.4
220.13087	2.2
221.01814	26.9
222.02016	5.2
224.08028	13.9
224.97519	3.1
226.95464	4.3
228.96706	13.2
228.98882	22.6
230.98341	4.0
231.00377	6.9
232.96368	18.9
233.01790	6.1
233.96790	3.1
234.97778	4.0
234.99648	29.2
237.02863	57.0
239.02769	2.6
242.98560	8.9
244.96497	35.1
245.01816	2.9
245.96956	3.5
246.99939	100.0
247.99940	6.9
249.01506	3.3
250.97569	8.9
253.02444	6.5
253.98524	4.0
255.03938	6.0
256.96347	5.4
257.03302	2.9
258.01419	2.3
258.97971	5.3
262.97519	59.7
263.97824	4.7
264.97137	5.0
265.01041	12.7
268.08618	6.4
271.03439	5.0
272.99481	5.3
273.05063	3.9
274.97046	13.9
275.02887	3.1
277.00366	2.9
278.96780	3.1
278.99454	3.3
280.98560	4.0
286.09671	29.5
286.97534	7.1
287.97873	8.3
289.00769	7.7
289.04321	4.1
292.98447	14.1
293.98929	3.9
299.02893	7.9
299.08514	4.7
301.04465	8.8
302.09253	3.5
302.97137	3.8
303.00433	2.7
304.98563	17.0
305.98965	24.7
307.99103	3.2
309.02042	2.7
315.02655	15.7
316.99109	7.4
319.05609	6.7
323.53705	2.7
323.99942	3.8
324.99231	4.4
326.19690	3.0
327.02237	9.4
328.99692	6.8
329.05423	15.2
330.07816	28.1
331.03503	5.6
331.08655	2.3
335.98578	3.1
337.52631	3.6
342.99948	31.1
345.03622	4.1
346.95950	3.1
347.00003	4.8
347.05093	15.8
348.04681	5.7
348.08661	24.2
353.00287	9.0
353.17746	7.5
361.01050	14.0
370.18237	5.2
370.22348	11.5
371.00888	50.4
371.06470	22.6
371.13721	15.6
371.18909	15.9
371.22855	14.2
372.01288	5.5
372.06552	6.2
372.12531	5.0
372.20065	21.7
389.02469	80.3
389.07529	5.5
390.02466	10.2
390.07117	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	0.5
65.00898	0.4
69.03429	0.7
69.35796	1.8
70.06566	0.5
72.08166	0.4
73.77837	0.5
81.03439	0.5
85.02904	3.6
97.01429	0.4
97.02891	0.9
98.22724	0.9
115.20029	0.5
118.06519	1.2
126.51324	0.5
127.03969	0.6
127.55791	0.5
146.06006	100.0
147.06357	3.5
151.32378	0.5
152.39076	0.4
163.03944	0.9
192.06551	76.4
193.06848	3.5
237.76770	0.4
264.15961	1.3
265.16302	3.8
287.13779	0.4
288.22018	0.5
339.19815	0.7
353.21640	2.9
354.11807	1.5
366.70364	0.5
371.22546	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	371.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39388	0.3
60.17043	0.3
61.02908	0.3
69.03431	1.2
69.66854	0.8
73.04166	0.4
73.72992	0.3
85.02916	3.8
97.02897	1.4
97.91390	0.3
111.30177	0.3
115.31371	0.3
118.06546	1.4
145.04988	0.5
146.06004	100.0
147.06366	3.9
163.03941	0.6
192.06552	71.4
193.06921	2.9
275.36554	0.4
354.11972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05518	2.9
63.08600	1.6
65.03924	1.8
69.03407	2.2
69.10242	1.9
69.11976	10.6
70.06577	2.1
77.34816	1.8
79.05507	9.5
81.07060	7.5
84.08146	3.0
90.44342	1.5
91.05463	11.4
93.07044	2.0
94.04175	4.5
95.05001	2.3
97.02926	2.3
101.06028	3.0
103.05465	2.8
105.07031	3.9
107.04947	15.8
109.06496	2.9
111.04443	2.7
115.05467	5.2
117.07066	2.2
121.06501	9.7
122.03638	8.8
123.04441	4.1
124.05203	3.0
125.06011	4.3
128.06252	6.1
129.07005	10.3
131.04947	5.2
131.08556	9.6
135.04379	2.5
135.08038	4.0
136.11217	21.7
137.05980	100.0
138.06471	1.8
141.06979	4.5
143.04982	2.9
143.56079	1.9
144.05670	8.6
145.06506	3.9
147.04420	2.0
151.03889	5.5
151.07512	5.1
156.05701	20.2
157.06451	5.1
158.07260	4.0
159.08051	17.8
160.05249	3.4
161.05998	2.3
161.11624	1.7
163.03944	2.0
163.07535	1.9
165.05577	2.5
166.04993	2.2
167.07051	37.0
169.06451	3.4
172.05145	4.3
173.06017	4.1
174.06779	4.4
175.07578	7.5
177.05481	5.1
178.07733	3.0
179.07068	2.5
179.08510	1.9
181.06511	3.2
184.05215	3.8
184.27304	2.0
187.07559	21.4
189.07065	3.7
189.09102	8.9
190.07800	3.4
191.06996	1.8
195.06468	2.2
197.48006	1.8
201.09152	2.3
202.06229	8.0
202.07800	2.0
203.08612	5.7
205.08517	3.4
205.10225	2.3
206.07324	5.1
207.08112	2.6
211.07579	4.5
215.06863	3.3
215.08736	4.3
217.06641	3.2
217.08582	73.1
218.07278	8.2
218.09109	3.3
219.07977	5.3
219.10272	6.2
220.08740	1.9
221.09666	7.9
223.07564	4.1
226.06261	2.9
229.08626	2.3
231.08147	6.6
232.08990	4.3
233.09552	14.0
234.06726	7.1
235.07529	8.0
235.15573	3.2
237.05562	2.4
238.09744	3.3
239.07054	16.1
241.08670	14.9
242.05864	2.7
246.06726	3.0
247.07477	5.1
247.09708	30.1
248.08328	2.6
249.09106	16.3
250.09732	5.9
251.07088	6.3
251.10660	2.4
252.07860	6.5
256.07364	2.4
257.08041	3.3
259.07581	3.3
260.08328	7.1
261.09106	21.9
262.06308	4.6
262.09592	2.5
263.07025	12.5
263.10587	3.2
264.07709	2.4
265.08652	2.6
266.09274	3.6
269.08112	6.4
271.06039	3.2
275.07138	3.1
277.08624	18.1
278.09283	11.1
279.06854	2.5
279.09818	4.3
280.07309	3.9
281.11716	4.2
283.09732	1.9
285.07556	34.7
286.08176	5.1
289.08569	9.7
290.09393	3.3
291.06653	2.4
291.10245	4.5
292.07416	2.8
292.10840	3.0
293.08105	5.3
293.11722	15.5
294.08673	3.5
294.12119	2.4
295.09665	4.4
300.09943	40.7
301.10590	18.7
305.08142	2.0
306.08905	6.5
307.09720	7.5
309.11185	19.8
310.11633	3.3
311.09073	3.8
313.07440	2.1
313.10751	7.4
321.11209	26.2
322.11838	5.7
323.09128	8.8
325.98383	2.1
326.11377	13.8
326.21075	10.1
327.12106	5.6
338.11478	4.8
339.12018	2.1
340.19113	7.1
341.10297	3.3
341.13870	12.8
353.13849	57.1
354.14142	4.2
371.14993	25.7
371.20023	3.9
372.14468	8.6
372.21719	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
55.01867	10.9
55.05513	29.9
57.03195	1.9
57.03434	11.1
57.07079	10.1
59.05001	3.7
59.31232	1.3
61.02924	8.8
67.05178	2.2
67.05495	11.3
69.03432	43.3
69.07068	18.5
69.42966	4.4
71.01364	2.2
71.04991	8.5
73.02923	5.9
79.05499	13.0
81.03420	12.7
81.07063	37.9
83.04983	57.7
83.08624	44.2
83.09097	2.6
85.02908	60.2
85.03418	3.2
85.06551	6.9
87.04470	6.1
91.03952	1.8
91.05483	7.9
93.07045	20.4
95.04971	36.8
95.08617	12.5
97.02897	22.5
97.06522	9.0
97.10183	3.3
98.22725	1.9
99.04469	13.1
99.08077	2.3
103.03947	8.8
105.07027	11.2
105.08177	1.5
107.04974	1.5
107.08593	28.6
108.08965	1.3
109.02929	6.7
109.06524	10.9
109.10162	24.9
111.04442	2.6
111.08080	13.3
113.06053	2.3
113.09644	2.0
115.03931	2.2
117.07039	3.1
119.08589	7.8
121.06551	3.9
121.10143	29.0
123.04494	3.1
123.08071	8.8
123.11729	10.0
125.06005	7.9
125.09605	10.3
125.13282	5.9
125.69405	1.6
127.03921	16.7
127.07597	1.9
129.05536	2.2
129.07007	2.6
131.08559	7.5
133.10165	8.0
135.08080	8.9
135.11678	4.1
137.06004	3.5
137.09634	3.0
137.13240	2.4
139.07574	2.6
139.11171	19.7
143.07022	2.5
143.08539	1.8
145.04959	10.0
145.10170	5.3
147.08066	2.0
147.11703	7.5
149.09674	4.9
149.13254	23.7
151.07582	1.6
151.11180	21.4
153.09117	17.0
155.10661	3.2
159.08060	2.3
159.11725	3.0
161.13252	2.2
163.11215	2.1
163.14818	7.5
167.07106	6.7
167.14317	54.4
169.12216	7.2
171.10208	4.8
173.13252	10.7
175.11194	2.8
175.14827	7.0
179.14308	2.2
181.12244	31.4
185.08069	7.9
191.14326	17.6
195.10194	4.3
197.15291	2.1
203.09158	2.3
207.13715	1.8
209.15369	100.0
210.15678	4.1
221.15527	2.0
227.16467	3.2
233.15414	8.7
236.13174	1.4
237.14774	1.6
263.16492	3.8
275.16391	2.7
309.17035	1.6
313.16174	1.6
315.14447	1.9
317.17349	2.3
335.18634	9.4
353.19455	6.6
354.19482	1.5
371.20590	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	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.84480	0.9
55.01876	1.3
55.05515	3.1
57.03435	2.6
57.07084	2.2
67.05505	5.3
68.05010	1.2
69.03433	18.7
69.07067	3.9
69.48750	3.9
70.22449	0.9
70.89073	0.9
71.04996	4.2
73.02916	1.8
78.58228	1.0
79.05507	2.7
80.05025	1.5
81.03417	3.1
81.07056	6.0
83.04985	8.0
83.08629	2.8
85.02911	15.0
85.06549	5.5
85.06989	0.8
86.06104	1.8
87.04456	1.3
89.06032	19.5
89.06535	1.4
91.05492	3.6
93.07044	5.0
94.06601	1.4
95.04969	39.6
95.08610	10.1
97.02895	4.1
97.06535	2.0
99.04452	10.6
99.08091	1.1
105.07056	3.9
107.08604	16.5
109.06513	7.2
109.07186	1.3
109.10139	1.7
111.08070	7.6
119.08599	4.3
120.08101	1.9
120.08967	1.0
121.06526	1.6
121.10144	9.5
122.06051	1.2
123.08099	3.8
123.11723	2.5
125.08705	1.7
125.09633	31.0
127.03931	4.9
131.08556	9.2
133.08612	9.3
133.10115	8.8
135.08058	17.7
135.11716	5.8
137.09583	1.3
138.09142	3.2
143.08563	1.8
145.04929	0.9
145.10146	3.2
147.11705	3.6
149.09608	12.7
149.13257	5.1
150.09189	1.1
150.10402	2.1
151.11205	2.9
153.09106	21.1
153.10266	1.6
158.10905	3.8
161.09581	1.5
163.11163	5.2
163.14819	6.2
164.10724	1.2
165.12773	2.6
166.08623	2.4
166.12218	1.3
167.10693	1.6
173.13266	22.4
174.13504	1.2
176.11957	2.4
177.11281	2.3
190.13344	1.0
191.14310	90.2
192.14740	4.5
202.12364	1.4
203.14413	1.0
206.15451	1.5
209.15369	100.0
210.11362	1.4
210.15671	5.3
220.13399	1.8
221.15419	1.1
224.16457	7.2
234.14949	1.5
244.13394	0.9
252.15894	3.9
264.19626	1.4
272.16507	1.8
290.17538	6.3
308.18594	4.0
318.17084	2.8
326.19626	9.7
327.64169	1.0
336.18222	2.9
353.19647	4.2
354.19147	24.7
371.16794	3.1
371.20660	19.1
372.20486	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	371.2069
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.01860	1.1
55.05516	1.3
59.64814	0.9
67.05486	1.9
69.03427	6.0
69.07049	1.7
70.78790	1.4
79.05488	3.9
81.03358	0.8
81.07059	6.9
85.02911	2.2
91.05466	3.7
93.07040	4.0
95.08617	1.5
97.06509	0.9
103.05421	1.1
105.07035	5.3
107.04942	1.7
107.08598	13.4
109.06519	5.1
109.10162	5.9
115.05492	1.3
117.06994	2.5
119.08561	3.2
121.06515	1.5
121.10149	11.0
122.07292	4.4
131.08571	2.0
133.10127	100.0
134.10448	4.8
135.08052	9.6
136.11212	11.3
137.05981	1.6
137.09621	52.0
138.09947	2.5
138.12761	1.9
143.08580	1.4
145.10138	0.9
146.09674	1.9
147.11671	1.4
149.13271	11.1
163.13123	1.0
163.14778	2.0
167.07030	1.3
169.90085	1.2
173.13251	5.9
191.14308	33.5
192.07841	2.3
192.14639	1.0
209.15340	7.5
210.23254	1.0
216.17390	1.1
235.15666	1.7
274.17978	3.7
314.17480	1.3
371.20621	8.1
372.17447	1.3
372.21655	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27791	0.6
53.03955	0.7
55.01884	0.6
55.05502	1.4
55.06497	0.6
57.03432	1.2
57.07061	0.6
59.04998	0.7
61.02935	1.6
61.29301	0.6
67.05499	2.7
69.03429	5.3
69.07074	1.9
70.06596	1.0
71.04997	5.3
72.14528	0.6
73.02912	0.9
79.05476	1.7
80.05016	5.0
81.03419	2.4
81.07059	3.1
82.06551	0.9
83.04982	2.1
83.08622	0.9
85.02907	12.2
85.06547	1.1
86.03224	1.3
87.04460	1.8
91.03954	0.8
91.05486	2.0
93.07052	4.8
94.06570	1.2
95.04969	100.0
95.08606	2.4
95.27117	0.6
96.05311	2.1
97.02895	4.4
97.06525	2.0
99.04456	21.9
99.08071	0.7
103.03904	0.8
105.07056	2.1
106.06549	1.4
107.08592	5.1
109.02898	1.5
109.06521	1.7
109.10152	1.9
111.08096	1.2
115.03927	2.1
116.04229	1.2
119.08607	1.5
119.87109	0.6
120.08136	1.1
121.10149	9.8
125.09632	1.2
127.03942	4.0
128.04259	0.9
128.98882	0.8
131.08607	0.7
133.05020	0.8
133.10120	5.8
135.08092	0.9
136.07600	0.6
137.09586	0.7
138.09152	2.0
139.11186	6.7
145.04939	3.3
146.05284	1.2
146.09598	0.7
147.11581	0.7
148.07631	1.1
148.11238	1.8
149.13313	1.1
151.11182	1.7
153.09109	32.3
154.09497	1.0
162.09027	0.6
163.14850	2.2
166.12251	7.1
167.14325	1.5
173.13269	3.3
178.43195	0.7
184.09686	0.8
191.14334	4.8
193.15842	0.7
206.15443	0.7
209.15369	36.2
210.15724	2.0
220.13373	1.2
224.16527	2.7
232.13263	1.5
234.14909	0.9
250.14424	1.4
265.16293	1.2
270.16959	0.7
278.09549	0.9
290.17535	1.6
308.18591	2.7
326.19565	5.0
336.18042	1.8
344.20578	1.1
353.21570	2.0
354.19101	1.4
371.16895	3.0
371.22653	5.5
372.20187	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05509	0.7
57.03431	0.9
57.12468	0.4
59.05000	0.5
60.60978	0.3
61.95817	0.4
67.05476	0.6
69.03430	1.0
69.86568	0.5
69.86902	0.7
70.06578	1.8
71.04990	0.7
79.05472	0.5
80.05029	0.9
81.07062	0.6
82.06565	0.4
83.05003	0.9
84.08141	0.6
85.02908	1.7
86.03276	0.4
86.09682	0.5
89.03958	0.8
91.05434	0.4
93.07048	0.9
94.06583	0.9
95.06893	0.5
95.08615	0.4
96.08130	0.7
97.06517	0.6
97.08466	0.4
97.22470	0.3
100.07576	0.4
100.11271	0.3
106.06548	0.5
110.09692	1.9
111.09998	1.3
117.03378	1.7
118.03737	1.1
119.03931	0.4
120.08086	0.8
122.09663	1.2
124.11227	1.7
125.06011	1.1
125.09615	2.7
125.11552	1.1
126.06359	0.9
126.09960	0.9
129.05518	0.4
134.09637	0.8
135.08105	0.5
135.09984	0.6
136.11209	3.1
137.11526	2.4
141.09077	0.5
145.02867	4.1
146.03191	2.2
147.03383	2.0
148.11165	0.7
149.05945	0.5
149.11581	0.8
150.06306	0.4
150.09119	0.6
151.09543	0.5
152.10670	0.8
153.09096	1.3
153.11081	0.6
154.09441	1.5
162.12784	2.6
163.03862	0.4
163.09523	0.4
163.13101	2.9
166.08687	0.4
166.12311	0.6
173.94603	0.4
177.05452	8.4
178.05772	3.8
178.12285	0.5
179.05980	4.6
179.12648	0.5
182.15413	0.5
191.12593	0.5
191.16165	0.5
201.14790	0.4
210.15004	0.6
219.15691	0.5
222.00005	0.4
222.15013	0.6
234.14940	0.8
235.15378	0.4
236.16441	1.3
237.16707	2.9
238.14343	0.5
239.14693	1.9
240.15988	1.8
241.16289	3.6
244.95340	0.4
247.15150	0.7
248.16484	0.6
249.16782	0.6
251.18396	1.7
255.17912	0.4
264.15948	10.3
265.16275	37.3
266.16476	1.8
267.61487	0.4
268.18939	0.5
269.19400	2.3
279.17941	0.6
293.19415	0.8
295.21609	0.4
296.18591	0.8
297.18878	3.5
308.18805	0.5
313.47913	0.4
321.18958	2.5
326.19650	0.7
327.23688	0.7
335.20670	0.5
338.19754	0.5
339.19965	7.3
353.21518	34.5
354.18320	0.5
354.22168	1.4
371.22571	100.0
372.23245	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	371.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08401	0.3
55.01872	1.6
55.05516	0.6
57.03433	0.6
59.04990	0.4
67.05501	0.7
68.05835	0.3
69.03432	1.2
69.07078	0.3
69.82675	0.3
69.82993	0.5
70.06576	0.9
71.04980	1.0
73.02913	0.3
79.05492	0.9
80.05016	0.6
81.00452	0.3
81.05339	0.5
81.07054	0.7
82.06592	0.3
83.04982	0.3
83.44099	0.3
84.04501	1.0
84.08131	0.7
85.02901	1.2
85.06570	0.3
89.03908	2.4
90.04247	1.1
91.05458	0.5
92.05836	0.3
93.07027	0.6
94.06554	0.8
94.07371	0.3
95.04965	0.6
95.08594	0.7
96.08135	1.0
97.06532	0.9
97.08450	0.3
98.06848	0.3
105.07011	0.4
106.06559	13.0
106.07285	0.6
107.08604	0.3
108.08120	0.7
108.08842	0.3
109.08409	0.3
110.09698	2.1
111.04440	0.3
111.08135	0.3
111.09979	0.6
112.07675	0.3
117.03383	5.6
117.05554	0.4
118.03706	2.5
119.04017	1.2
120.08093	0.3
121.06531	0.4
122.09650	1.2
123.10011	0.4
124.11225	0.5
125.05979	1.5
125.09612	0.7
125.11543	0.5
126.06319	0.9
130.05003	0.3
132.08945	0.3
132.35088	0.2
134.03687	0.5
134.09602	0.7
135.09973	0.5
136.11234	2.2
137.11580	1.9
138.09079	0.5
141.09207	0.2
145.02846	10.8
146.03180	6.1
147.03394	4.1
147.10066	0.3
148.11200	0.6
149.05974	2.1
149.11530	0.7
150.06346	0.7
150.09117	0.9
151.06491	0.5
151.09459	0.5
152.10695	0.6
153.09109	0.4
153.11092	0.3
161.11591	0.3
162.09152	0.4
162.12737	1.2
163.03841	0.5
163.09468	0.4
163.13116	1.2
164.10732	0.3
166.12236	0.7
168.10161	0.6
169.10608	0.6
173.11552	0.4
174.12781	0.3
175.13120	0.6
176.10692	0.4
176.14154	0.3
177.05469	15.1
177.11107	0.6
178.05806	10.0
178.12015	0.2
179.06018	10.2
182.11816	0.4
183.12061	0.6
190.12335	0.3
191.12607	0.5
201.10887	0.3
202.12231	0.4
203.05238	0.5
203.12590	0.7
205.14127	0.3
209.13589	0.3
215.14786	0.4
217.14157	0.3
220.13278	0.4
221.13721	0.4
224.16498	0.4
226.14270	0.4
227.14746	0.7
232.13193	0.5
233.13669	0.4
234.14819	2.5
235.15208	5.6
236.16409	1.2
237.16817	2.4
238.14343	0.5
239.14618	1.3
247.15277	0.9
248.16388	0.8
249.16798	3.3
250.14362	0.3
251.18456	0.4
262.18011	0.3
263.18420	0.7
264.15945	6.4
265.16293	21.9
266.16583	1.3
269.19360	0.4
279.18103	0.3
281.19531	1.5
283.17398	0.6
291.17783	0.5
305.19580	0.4
308.18414	0.4
309.19037	0.4
321.18912	1.2
322.20081	0.6
323.20465	4.2
324.20740	0.4
326.19583	0.8
335.20538	1.5
336.18076	0.5
338.19696	0.4
339.19940	7.8
340.20166	0.7
341.21622	0.8
353.21503	29.1
354.18405	0.5
354.22577	1.3
371.17258	5.1
371.22559	100.0
372.23398	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	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44485	4.5
55.05509	26.0
56.27671	4.8
57.03437	10.4
57.07073	9.6
65.03921	5.2
67.05500	67.0
69.07070	30.0
69.90137	7.7
69.90495	14.3
71.08627	100.0
72.96677	4.6
77.16339	4.9
79.05486	34.3
81.07057	92.8
83.04973	9.1
83.08619	19.9
85.06541	5.2
85.10192	5.5
87.04439	6.0
91.05482	32.6
93.07043	24.1
95.08600	73.9
97.06532	6.9
97.10172	10.9
99.08092	94.8
105.07028	25.0
107.08617	28.5
109.10147	19.0
113.09653	6.5
119.08569	21.9
121.10130	18.3
123.11707	11.5
125.09628	6.7
127.11121	7.4
128.49272	4.9
131.08563	14.2
133.10136	7.2
135.11685	20.2
136.11212	12.5
137.13240	8.4
143.03654	4.6
145.10135	9.9
147.11684	53.4
149.13173	6.1
151.14842	7.1
153.12761	11.6
159.11642	4.8
161.13193	8.7
163.11223	12.8
163.14821	21.4
165.12766	23.5
173.11742	9.5
173.13245	12.0
181.15881	10.7
243.21083	17.4
261.22192	33.7
279.23172	77.5
339.84427	5.1
353.26855	76.3
371.17484	9.4
371.27286	8.3
372.21515	18.2
372.34799	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	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
55.05510	43.6
57.03431	12.9
57.07064	16.0
59.04993	5.1
67.05504	90.4
69.07072	48.8
69.49725	14.0
69.50090	7.3
70.06606	5.9
71.04994	4.4
71.08633	98.5
79.05491	41.2
81.07055	98.5
83.04968	10.0
83.08638	28.0
87.04461	13.0
88.07622	9.9
91.05482	32.9
93.07040	40.9
95.08607	78.7
97.02888	7.1
97.06519	13.9
97.10167	30.8
99.08093	77.8
102.32008	3.2
105.07032	18.6
107.08589	40.2
109.06535	4.1
109.10149	34.3
111.08096	5.8
113.61008	3.3
116.28453	3.5
117.07016	4.5
119.08542	19.7
121.10140	21.5
123.11716	16.9
125.09624	12.6
127.11181	8.5
128.14261	3.3
131.08553	13.5
133.10114	5.2
135.11644	27.3
137.13293	7.8
145.10138	11.0
147.11681	54.2
149.13272	9.1
153.12738	16.0
159.11713	4.3
161.13237	6.3
163.11218	8.9
163.14822	18.0
165.12814	17.7
165.14027	4.2
167.14304	4.8
173.11736	8.6
173.13271	9.7
177.16331	4.2
181.15874	7.6
189.11264	6.0
201.14775	4.5
214.11020	4.1
243.21143	19.1
261.22119	40.0
262.64334	3.9
268.26379	3.7
279.23196	100.0
280.23584	8.7
324.32507	5.3
353.26868	96.0
354.27237	8.5
371.21637	47.9
371.27689	12.3
372.21756	6.0
372.34766	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.9
55.05514	48.4
57.03432	8.0
57.07073	8.5
58.02430	3.1
67.05505	88.5
69.03442	3.6
69.07069	47.6
71.04995	5.0
71.08645	23.9
79.05494	43.1
81.07062	100.0
83.04989	8.0
83.08627	26.1
84.70972	3.4
85.06565	8.4
87.04501	8.3
88.07652	10.3
91.05495	13.8
93.07045	37.9
95.08607	68.9
97.06544	10.0
97.10173	27.7
99.08101	19.5
105.07054	10.6
107.08605	34.2
109.10165	37.5
111.08124	9.1
117.07069	6.5
119.08602	12.6
121.10175	9.3
123.11736	16.5
125.09632	16.5
131.08540	6.7
133.10139	7.2
135.08080	6.4
135.11723	18.5
136.11270	10.5
137.09502	3.5
137.13257	10.1
145.10158	4.6
147.11691	10.6
149.13287	9.9
151.14812	5.5
153.12770	12.6
156.03722	4.9
160.11246	3.7
161.13322	6.5
162.13531	3.2
163.14836	14.7
165.12759	5.9
173.11821	7.8
173.13158	6.6
182.42383	3.4
187.14803	6.1
189.11243	12.6
204.84929	3.5
209.15445	3.5
227.12793	10.0
243.21158	14.1
245.13895	8.0
261.22150	29.5
275.74973	3.9
279.23206	75.6
280.23569	5.5
353.26886	83.7
354.27042	7.5
371.13678	9.4
371.21033	4.9
371.28006	11.0
372.21686	12.1
372.34738	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0976
Annotation	Berberine chloride
Peak:m/z	Relative Intensity
50.01590	0.1
51.02380	0.2
55.01862	0.2
55.20515	0.1
60.84236	0.1
65.03923	0.4
68.99783	0.6
77.03939	0.2
79.05460	0.4
82.02946	0.7
83.01329	0.5
85.02868	0.1
89.03922	1.5
91.04224	0.1
91.05479	0.7
92.02597	0.1
95.04980	0.3
98.23501	0.2
101.03927	0.1
102.03444	0.4
103.04198	0.5
103.05448	0.4
104.04992	0.7
105.03391	0.4
105.05756	0.4
106.06590	0.7
107.04962	1.2
113.48109	0.1
114.03429	1.0
115.04185	0.3
116.04992	1.1
116.68836	0.1
117.03350	0.5
117.05760	0.4
118.04140	0.4
118.06518	0.1
119.03686	0.6
119.04939	0.2
120.03667	0.2
120.04463	2.2
121.06512	0.4
127.04155	0.7
128.04968	0.4
129.03372	0.5
129.04474	3.5
130.02898	0.4
130.03996	2.5
130.05084	0.2
130.06537	0.3
131.04904	0.4
131.06013	0.3
132.04449	0.7
133.02844	0.5
133.05234	3.5
134.06013	8.7
135.06326	0.2
141.04488	1.4
142.05147	0.1
143.03697	0.9
143.06035	4.2
144.04396	0.8
144.06245	0.1
145.02847	2.8
145.04094	0.1
145.05219	3.0
146.02332	0.6
146.03365	0.1
146.05940	0.4
147.04413	0.3
147.05502	0.2
154.02892	0.2
154.05276	0.2
155.03658	0.3
155.06052	1.5
156.04436	14.4
157.02892	0.5
157.04858	0.5
157.07404	0.1
158.03667	0.1
158.05986	0.1
159.03163	0.2
159.05505	0.7
160.03865	0.4
161.07076	0.4
162.03116	0.3
162.05516	0.7
169.03976	2.5
170.02403	0.2
170.04774	0.9
170.05986	0.2
171.03246	0.8
171.05525	3.5
172.03926	16.4
173.04654	1.4
174.05441	0.2
175.03926	0.3
176.04683	0.2
177.05464	1.1
181.03966	0.2
182.04764	1.3
182.07118	1.3
183.05533	13.2
184.03998	0.6
184.05907	0.4
185.02287	0.3
186.05370	0.7
187.05023	0.7
188.06923	0.1
190.05008	0.3
194.09317	0.1
197.03674	0.1
197.07153	0.8
199.05016	4.4
200.03426	5.4
201.04189	5.1
201.06563	2.4
202.04773	0.4
204.08092	0.1
207.05542	0.3
210.04233	4.3
210.06583	1.8
210.08530	0.1
211.05052	1.4
212.03490	0.2
213.06577	0.1
216.06541	4.7
217.06862	0.1
218.08383	0.3
219.06891	0.1
219.09172	0.2
222.06363	0.1
223.07466	0.2
225.06490	0.2
227.04510	0.4
229.07692	0.3
231.09148	0.5
232.07350	0.3
233.07086	0.4
239.04584	0.2
242.03230	1.9
244.08829	0.6
245.07091	0.9
245.09372	0.3
246.07835	0.7
247.08716	0.4
248.07152	0.2
256.08765	0.3
257.07114	0.2
258.07813	0.5
259.08630	0.8
260.06876	0.2
261.07916	0.3
261.10294	0.3
262.08563	0.3
271.08716	0.6
272.08160	4.9
273.06512	2.1
273.08969	3.1
274.06967	0.8
275.08215	0.8
283.07764	0.2
284.08191	0.5
285.09259	0.2
286.07062	0.2
287.08109	2.3
287.10931	0.2
288.06207	0.6
288.11374	0.4
289.09656	0.8
298.09747	0.2
299.07990	0.3
300.07672	4.8
301.08392	7.1
302.08963	0.6
303.07651	1.6
304.07797	0.1
312.07614	0.8
313.05872	0.3
314.09253	0.4
315.10358	0.9
316.10828	5.2
317.08820	0.9
328.07153	13.0
329.07922	46.5
330.08215	3.1
330.12085	0.2
340.07141	0.5
344.10300	32.5
345.10706	2.3
370.01047	0.1
372.09769	100.0
373.10080	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	372.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05501	3.2
64.62250	1.2
67.05502	4.9
69.03426	12.7
69.07049	3.5
70.06589	2.4
71.04983	3.4
79.05482	10.0
80.05005	2.7
81.07054	13.3
82.06611	2.0
82.27863	1.5
83.04980	2.9
83.52100	1.4
84.08141	4.9
86.09705	5.4
91.05477	13.1
93.07052	8.9
94.06554	2.5
95.04968	2.6
95.08606	5.9
97.02856	2.0
97.06544	3.1
98.23447	2.5
99.04439	4.6
100.04055	1.2
103.05424	1.9
105.07024	48.4
106.06567	1.4
107.04957	2.0
107.08596	7.4
108.08177	1.3
109.06510	6.2
111.04443	2.2
117.06997	6.9
119.04945	2.2
119.06039	1.6
119.08584	3.7
121.06491	24.2
121.10171	1.8
122.09666	3.7
123.04468	6.6
123.08097	1.2
125.05947	2.2
129.07018	2.4
130.07799	2.3
131.08578	9.9
132.98656	1.3
133.06485	7.2
133.09149	1.1
133.10081	5.9
134.09686	2.2
135.08058	8.9
136.11214	58.6
137.05980	12.0
138.12807	1.4
141.06958	1.5
143.07085	2.7
143.08525	3.8
144.09300	2.7
145.06456	3.7
145.08961	2.9
145.10123	58.2
146.10468	3.1
147.08076	2.3
147.11685	1.6
148.11240	1.5
149.09663	1.8
151.07570	4.5
154.07764	2.4
155.08539	2.8
157.10150	1.9
158.07275	5.5
159.08058	5.1
159.11685	22.3
161.09605	6.0
162.12808	2.0
163.07672	1.3
163.11316	1.3
168.10175	3.0
169.10168	4.5
172.08858	2.0
173.09633	31.4
173.11211	2.1
173.11781	1.5
177.12720	1.6
182.11792	5.5
185.09685	1.4
187.11163	19.3
189.12761	3.7
194.11778	3.7
197.09636	3.9
203.10847	1.5
205.12231	53.3
206.12547	2.2
215.10664	55.8
216.11099	3.8
233.11754	18.3
233.13962	2.2
234.15041	1.7
235.15654	10.3
236.16548	2.6
251.12732	1.9
260.16449	1.4
266.09430	3.2
270.14883	3.0
274.17984	3.4
291.17636	1.6
294.20728	2.2
294.24243	1.4
298.18076	3.2
308.20206	1.7
309.18408	2.3
318.20694	2.0
319.11728	1.7
326.21109	18.7
336.21814	4.1
337.12820	3.3
340.19156	6.7
354.21088	2.0
372.18079	5.5
372.21713	100.0
373.22040	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	372.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08198	2.8
55.01879	4.6
55.05515	2.9
67.05511	5.8
69.03438	5.7
69.07069	4.2
70.94681	3.1
71.04991	3.4
78.74924	2.6
79.05499	18.6
81.07057	6.0
83.04982	4.7
91.05477	22.1
91.76543	2.7
93.07061	14.2
95.04939	6.9
97.06526	10.3
99.04459	9.7
103.05476	3.2
105.07035	64.2
107.04961	9.5
107.08607	21.6
109.06516	7.5
117.07041	8.5
119.04939	3.6
119.08578	2.9
121.06505	34.6
125.06006	8.8
127.68285	2.7
128.06226	4.2
129.06998	3.7
130.07796	6.5
131.08574	9.0
133.06477	22.5
133.10094	3.2
135.08078	4.9
137.06010	3.6
141.06972	2.7
143.07050	7.7
143.08588	4.4
144.09346	4.4
145.06476	13.3
145.10133	50.4
151.07544	7.7
154.07814	3.3
155.08557	8.2
158.07275	15.4
159.08057	10.5
159.11703	24.3
161.09610	11.2
169.10112	8.9
172.08829	7.3
173.09624	100.0
187.11188	49.2
189.12798	3.2
191.10683	7.1
197.09593	15.0
205.12238	29.2
215.10660	71.6
233.11748	56.0
246.72636	2.5
251.12767	9.5
266.76297	2.7
318.76089	2.9
337.12842	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	372.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94279	0.5
54.77778	0.5
55.05499	0.7
56.96568	7.8
57.37677	0.5
70.38694	0.5
71.45194	0.6
80.94851	1.7
81.07060	0.7
87.04485	0.6
93.53603	0.5
97.02914	1.4
97.06489	1.1
98.97577	1.7
110.97582	2.3
128.98621	1.7
131.00153	0.8
138.06888	0.7
146.99628	1.6
153.02219	1.0
167.03842	1.1
171.03288	2.0
185.04858	3.7
189.04372	0.9
199.06419	4.5
201.04300	0.6
203.05896	2.8
205.01811	0.6
211.06444	0.9
217.07491	5.9
219.03352	1.5
220.04022	0.6
223.02721	1.4
223.06506	0.6
226.05162	1.8
237.04359	4.0
237.07985	1.4
249.08214	0.9
250.09311	1.7
253.11078	1.3
262.08768	1.4
267.09058	2.5
268.26340	0.9
279.09042	0.8
280.09805	3.3
281.10541	0.8
289.14731	0.8
298.10913	1.4
299.11487	0.8
307.15735	1.9
310.31116	0.7
331.15765	26.2
332.16086	1.6
337.17343	1.0
349.16864	100.0
350.17188	7.2
367.18143	2.9
372.18304	13.9
372.34738	2.3
373.13480	1.6
373.18860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
55.05494	1.5
57.03437	11.4
61.02923	12.1
64.53089	1.2
69.03427	22.2
70.06588	5.0
70.33156	2.4
71.01353	1.9
71.04977	4.2
73.02916	50.9
77.38889	1.3
80.04987	1.4
81.03419	3.9
81.07046	1.8
85.02905	70.2
86.09698	2.1
87.04488	2.9
91.03942	3.8
94.06567	1.2
95.04979	2.9
96.08136	1.2
97.02892	37.1
97.06535	1.5
99.04441	4.9
103.03967	2.8
105.07025	1.6
109.02861	5.1
110.09651	1.4
111.08085	15.7
115.03928	19.2
123.04412	1.2
127.03910	26.3
133.04964	28.7
134.09590	2.8
136.11203	3.4
141.09076	1.2
145.04955	41.3
145.06096	2.4
148.11217	2.2
150.07677	2.1
150.09178	2.1
152.10713	1.9
163.03899	3.3
163.06018	24.6
166.12292	5.5
169.03365	1.2
176.10735	1.3
178.12280	1.1
193.04994	1.5
194.11729	1.9
206.15427	1.5
222.14746	2.5
223.06003	3.7
223.11798	3.9
224.16473	1.9
236.16368	1.3
238.14449	2.2
241.07030	4.4
250.14409	2.9
252.16014	5.6
259.08102	9.0
262.17969	2.2
264.15964	3.1
268.15344	7.2
270.17023	3.2
280.15540	2.4
280.18936	2.2
290.17484	2.2
295.10214	4.7
298.16635	3.2
304.49219	1.2
308.18570	15.5
326.19717	9.0
336.18237	2.4
336.21677	4.2
342.32742	1.2
354.19003	11.1
354.22833	6.5
372.20065	100.0
372.23932	38.6
373.20377	7.2
373.24438	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	372.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52531	0.8
55.05502	1.3
57.03427	1.7
67.05482	2.4
68.05022	1.4
69.03431	1.6
69.07066	0.9
69.47038	0.8
69.97649	2.7
70.06595	1.5
71.04979	3.6
74.28160	0.8
76.02205	2.1
79.05476	1.9
80.05010	24.4
81.07031	2.1
82.06578	2.5
84.04507	3.4
84.08126	3.8
85.02888	4.2
86.09702	2.9
91.05451	1.9
93.07043	1.2
94.06573	6.0
95.04967	15.9
96.08138	1.2
98.06055	1.1
103.03934	1.3
105.06998	1.3
106.06564	4.4
107.08593	1.6
108.08103	1.7
112.03254	0.8
118.06470	0.8
119.08585	1.1
120.08117	4.4
122.09711	1.0
125.09643	1.1
129.10239	2.6
130.04916	1.5
131.08551	1.5
132.08057	1.1
134.09589	0.8
136.07562	1.1
136.11205	1.5
136.51357	0.9
138.09128	10.8
140.10616	1.1
142.03178	0.9
142.05539	0.8
146.06024	3.6
146.09656	1.7
147.06339	3.4
148.07558	7.6
148.11194	10.4
149.09604	1.0
150.09157	2.0
154.12280	1.3
160.07556	2.2
162.09109	1.5
166.08568	2.1
166.12268	40.3
167.12607	1.7
172.07610	2.0
174.09097	2.0
174.12762	1.0
176.10736	2.7
184.09721	3.4
184.13261	1.1
192.06516	1.7
193.06876	3.2
194.11812	0.8
201.05447	1.1
202.12288	2.2
204.13826	1.2
206.15392	6.6
214.12257	3.2
216.13928	1.2
220.13354	5.3
222.14903	3.2
224.16454	18.3
232.13272	9.0
233.13638	0.8
234.14886	2.2
242.46049	0.8
246.18246	0.9
248.16426	1.9
250.14319	7.3
252.15883	3.0
264.19568	3.7
266.17590	2.0
268.15424	2.2
270.17010	5.7
272.16403	2.5
280.15576	1.1
282.20746	1.8
284.18408	1.0
290.17462	9.8
292.19232	1.4
300.15955	1.6
308.18546	14.0
309.19016	1.3
310.20105	3.1
318.17026	3.8
326.19583	42.9
327.19925	2.8
336.18024	16.3
337.18484	1.4
344.20505	5.7
354.19080	10.9
355.19492	1.0
372.20129	100.0
373.11081	5.3
373.20877	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	372.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
67.05498	2.4
69.03402	1.1
69.07078	0.7
69.39008	3.8
70.06585	1.8
71.04996	3.7
79.05481	1.2
80.05022	24.7
81.07044	2.4
82.06579	2.1
83.47970	0.8
84.04501	1.7
84.08132	3.8
85.02905	5.1
85.06510	1.1
91.05458	1.3
93.07043	2.7
94.06564	5.6
95.04964	16.8
96.04476	1.0
96.08146	1.3
98.06061	1.2
99.04439	1.9
105.03406	0.9
105.07044	1.1
106.06566	5.9
108.08093	1.2
109.06493	1.4
109.10172	0.8
110.06023	1.0
119.08562	1.1
120.08108	4.1
125.09625	1.5
129.10219	3.9
131.08629	1.3
132.03523	0.7
132.08203	1.2
134.09566	1.5
135.07986	1.2
136.07547	1.0
136.11234	1.5
138.09135	11.1
140.10693	1.5
146.06009	2.6
146.09686	1.5
147.06383	2.2
148.07581	5.3
148.11203	13.8
150.09126	1.0
152.03571	0.8
153.09135	1.3
154.12262	1.6
155.07042	1.5
158.09653	1.3
160.07591	2.3
162.09094	1.6
163.03935	1.2
164.10709	1.6
166.08643	1.3
166.12277	50.7
167.12622	1.8
172.07591	2.1
174.09090	1.6
176.10715	2.2
184.09692	3.3
184.13344	2.2
186.09138	1.1
186.12811	1.6
188.14285	1.1
192.06583	1.2
193.06946	1.8
194.11803	1.3
202.12257	1.8
204.13817	1.9
206.15370	4.6
214.12279	4.1
214.14093	0.9
220.13318	6.2
224.16447	15.8
232.13315	9.5
234.14877	2.2
238.14308	0.9
248.16452	1.0
250.14346	9.7
252.16016	3.8
264.19601	3.7
268.15457	2.4
270.17050	5.6
272.16443	1.8
282.20691	2.2
286.16577	1.7
290.17419	7.9
292.19016	0.9
308.18530	12.9
309.18915	1.3
310.20111	3.1
318.17053	1.4
326.19620	41.5
327.19855	3.5
336.18054	11.9
337.18393	0.9
344.20679	5.2
354.19150	6.9
372.20157	100.0
373.11011	1.7
373.20651	8.4
373.28091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
55.57284	0.7
67.05496	2.2
68.05027	1.1
68.97748	0.7
69.03432	1.7
69.07076	0.7
70.06586	0.9
71.04986	2.5
71.14632	0.7
71.14951	0.9
79.05499	1.9
80.05017	18.3
81.07039	1.6
82.06580	1.8
85.02893	2.6
91.05471	1.9
93.07058	1.2
94.06555	7.6
95.04966	16.5
96.05315	1.2
98.06074	1.0
105.07021	1.4
106.06564	7.0
107.08569	1.4
108.08117	1.7
109.06525	1.2
119.08630	1.1
119.49219	0.7
120.08099	4.3
121.06501	1.4
122.09673	1.5
125.09630	2.0
126.09165	0.8
131.08548	1.2
132.08075	0.9
134.09657	1.8
135.08049	0.8
136.07573	1.3
136.11250	1.0
138.09134	6.5
140.10796	1.0
146.09708	1.1
148.07565	5.0
148.11205	12.2
149.11618	0.8
150.09164	2.0
153.09123	1.7
154.09393	0.8
154.12212	1.4
155.07057	0.7
158.09656	1.2
160.07579	2.0
162.09106	1.0
164.10760	0.9
166.12279	52.0
167.12596	2.8
169.10286	0.7
172.07555	2.1
174.09163	0.9
176.10706	2.8
184.09789	0.8
184.13277	0.9
186.09154	1.3
186.12788	2.2
188.10669	1.0
202.12314	1.4
204.13855	1.3
206.15404	3.5
210.41505	0.7
214.12262	4.7
220.13417	4.6
224.16455	14.8
232.13286	8.7
234.14771	1.2
239.53058	0.7
248.16316	1.0
250.14349	10.1
250.16725	1.0
252.15895	3.5
256.15176	1.3
264.12485	0.8
264.19669	1.9
268.15366	2.2
270.16907	3.4
272.16519	2.1
286.16437	1.7
290.17563	6.4
291.17868	1.1
292.19107	0.8
293.72232	0.7
308.18573	8.7
326.19617	39.3
327.20010	3.2
336.18008	9.0
344.20523	4.6
354.19067	6.1
355.19266	0.9
372.20172	100.0
373.10965	1.2
373.20551	9.0
386.33673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95812	0.2
54.86049	0.2
55.05484	0.2
69.22364	1.4
79.05501	0.6
79.26795	0.2
81.07053	4.1
91.05463	0.4
93.07037	0.6
94.06582	1.2
98.22655	0.5
107.08585	0.5
109.06512	0.9
119.08585	1.6
122.09697	0.7
123.84244	0.2
124.44450	0.2
133.46468	0.3
136.11214	100.0
137.05986	3.9
137.11485	3.2
140.28816	0.2
162.12796	0.4
175.14853	0.4
176.14459	0.3
191.01984	0.2
223.58798	0.3
232.13309	0.3
234.14888	3.1
235.15662	15.8
236.16394	3.5
240.53839	0.2
344.22293	0.6
372.21698	32.7
373.17569	0.4
373.22028	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	372.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
54.46533	0.1
67.05497	0.2
69.03415	0.3
69.37817	0.3
73.02905	0.1
77.03925	0.2
79.05492	0.5
80.04990	0.1
81.07052	3.9
82.06564	0.1
85.02887	0.2
91.05481	0.1
93.07080	0.1
94.06567	1.3
95.01324	0.2
95.04980	0.2
105.03389	5.1
105.07008	0.1
108.08106	0.2
109.06525	0.9
110.06741	0.1
122.09668	0.5
123.04407	0.2
124.11198	0.1
125.05990	0.1
136.11209	100.0
137.05960	3.7
137.11491	3.8
141.01833	0.3
148.11160	0.1
150.12787	0.2
160.11259	0.1
162.12811	0.3
164.14383	0.1
176.14314	0.3
179.07014	1.4
179.16661	0.1
182.11749	0.1
191.16661	0.1
197.08105	0.7
220.13278	0.1
232.13359	0.1
234.12776	0.1
234.14883	3.0
235.15651	15.7
236.16347	3.8
237.16721	0.2
344.22180	0.2
354.22708	0.1
372.21667	32.5
373.21997	4.1
373.26816	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	372.2163
Annotation	Didehydrotuberostemonine
Peak:m/z	Relative Intensity
56.96560	0.6
57.07075	1.7
71.04983	2.2
71.08649	0.5
80.94851	1.1
81.07006	0.6
97.02901	1.2
98.98460	0.9
99.04459	2.6
107.37041	0.6
155.01006	2.6
160.74043	0.6
171.10416	1.1
172.11241	1.8
173.12000	1.2
175.01585	1.2
182.09630	0.7
184.11241	1.9
186.12749	3.5
196.11250	1.4
197.11963	4.0
198.12740	1.8
199.13583	2.2
200.14339	5.5
201.15070	4.0
208.11179	0.7
209.11998	0.8
210.12772	3.6
211.13377	0.6
212.14278	1.0
213.11250	0.6
213.37424	0.5
214.12253	2.7
223.13602	1.4
224.14311	9.3
225.15094	9.1
226.15865	9.1
227.16202	0.6
228.10135	0.6
238.15804	0.5
240.17494	1.0
242.15405	4.4
250.09265	0.8
251.13199	0.6
252.13733	1.3
252.17456	6.2
253.17953	1.2
253.20750	0.6
254.18959	2.6
257.21243	1.2
258.85452	0.6
269.14005	1.0
270.14890	29.2
270.18375	1.7
271.15372	2.6
271.19043	0.8
272.16489	1.1
273.99075	0.5
280.16968	1.9
284.16327	0.7
298.18011	31.0
299.18658	5.4
300.19418	0.7
317.11572	0.9
326.21185	6.3
337.17694	1.5
343.08405	0.8
372.21689	100.0
373.12769	1.1
373.22012	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	372.2171
Annotation	Didehydrotuberostemonine
Peak:m/z	Relative Intensity
61.04706	0.5
71.04982	3.5
71.46750	0.7
76.85770	0.5
81.07040	0.7
87.04475	0.9
91.05511	0.5
95.08595	0.7
99.04454	6.7
105.07008	0.6
136.11206	4.4
137.06053	0.6
144.17038	0.5
147.05724	0.6
158.09607	0.6
170.09723	0.9
171.10382	0.9
172.11227	1.5
176.14270	0.7
184.11229	2.5
186.12703	2.5
196.11185	1.8
197.12003	4.8
198.12782	3.3
199.13617	3.4
200.14360	8.5
201.15080	2.0
208.11276	1.1
209.11838	0.5
210.12798	5.9
211.13576	0.7
212.14345	2.0
213.15012	0.6
214.12254	1.0
223.13544	2.9
224.14342	10.0
225.15128	16.2
225.17352	0.9
226.15887	15.3
228.17494	1.1
235.15689	0.7
238.15831	0.7
242.15384	4.1
243.15941	0.6
251.12993	1.0
252.13811	0.7
252.17459	9.7
253.18089	1.2
254.19012	1.6
268.26270	0.7
269.14288	0.9
269.26782	1.2
270.14886	16.9
270.18237	1.4
271.15204	1.1
271.19366	0.7
274.18228	0.7
280.16852	2.0
280.20541	0.7
284.16452	0.9
298.18024	35.7
299.18637	6.0
308.20056	1.8
326.21179	10.8
327.21432	1.0
328.22745	0.6
343.08060	0.6
343.13336	0.9
354.20718	2.0
364.28680	0.6
371.12720	1.2
372.13559	10.8
372.21674	100.0
372.34634	1.7
373.13300	2.0
373.17606	1.0
373.22003	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	372.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.4
69.59761	1.5
71.04993	2.3
80.43553	0.4
98.22686	0.4
99.04462	5.2
100.55349	0.4
104.39847	0.3
109.47442	0.3
117.45503	0.3
158.09637	0.5
160.11237	1.4
170.09601	0.4
171.10506	0.6
172.11220	1.7
173.11984	0.9
182.09741	0.5
184.11197	2.0
186.12782	2.6
196.11253	1.5
197.11977	3.5
198.12753	2.9
199.13570	3.8
200.14351	8.5
201.15129	2.7
202.15848	0.5
208.11188	0.9
210.12762	6.0
211.13533	0.6
212.14307	1.9
213.11551	0.6
214.12222	1.4
214.15756	0.5
216.13893	0.5
222.12845	0.8
223.13551	2.4
224.14339	9.3
225.15125	16.9
226.15892	14.1
227.16333	0.8
228.13837	0.6
228.17537	1.0
232.13348	0.4
237.15208	0.5
238.16068	0.8
240.17403	0.8
242.11581	0.7
242.15431	5.5
242.19144	0.6
243.15887	0.5
251.13045	1.1
252.13797	0.8
252.17503	8.1
253.18217	1.2
254.19048	3.0
255.19604	0.6
259.76263	0.4
270.14914	20.5
270.18433	2.0
271.15231	1.3
271.19290	1.3
272.16257	0.5
274.18048	0.5
280.17032	3.5
284.16452	0.9
297.17398	0.5
298.18027	32.8
299.18637	6.4
300.18967	0.5
308.20090	0.6
326.21176	9.5
327.21466	1.0
328.22812	1.0
341.76944	0.4
354.20566	1.6
372.21710	100.0
373.22028	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	372.2169
Annotation	Didehydrotuberostemonine
Peak:m/z	Relative Intensity
55.01854	1.2
60.19356	0.4
67.05498	0.9
69.03426	2.1
70.06584	0.6
71.04990	0.5
71.44152	0.5
79.05485	1.7
80.05027	0.5
81.03425	0.4
81.07053	10.0
91.05471	1.0
93.07054	0.8
94.06569	1.6
95.04977	1.2
95.08605	0.7
96.07426	0.4
105.07021	1.0
108.08131	1.0
109.06516	2.2
114.35635	0.4
117.74516	0.4
119.04958	0.5
120.08125	0.6
122.09656	1.0
128.31332	0.4
133.10135	0.5
134.09665	0.9
135.08032	0.4
136.11214	100.0
137.05978	9.4
137.11646	3.1
148.11153	0.7
149.09586	0.8
152.07101	0.5
157.10201	0.6
162.12756	0.7
164.06981	0.7
176.14378	0.9
177.07854	0.5
178.15916	0.7
184.09665	0.8
232.13284	3.4
234.14896	4.9
235.15666	23.4
236.16359	5.3
274.18140	1.5
298.18103	0.9
316.22763	0.7
326.21127	0.5
344.22180	7.4
345.22003	0.5
354.20361	0.5
372.21695	68.1
373.18054	0.6
373.22049	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	372.217
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.3
69.03440	0.6
70.04215	0.6
71.04996	0.3
79.05480	0.8
81.07062	3.5
91.05478	0.6
94.06578	1.5
109.06508	1.0
119.04900	0.6
121.06496	0.3
122.09667	0.9
133.06512	1.6
136.11215	100.0
137.05974	3.2
137.11472	3.1
138.09154	0.3
138.12759	0.3
142.07817	0.3
147.11731	0.3
148.11272	0.4
157.10150	1.5
157.11264	0.2
160.11252	0.3
162.12779	0.4
171.10333	0.2
172.11169	0.2
175.11186	9.0
176.11572	0.2
176.14336	0.3
182.11777	1.1
200.14326	1.6
234.14925	3.3
235.15666	16.7
236.16344	3.2
251.87901	0.3
252.17654	0.2
259.09863	0.2
274.17978	0.9
298.17999	0.3
344.22314	0.4
372.21695	45.2
373.21948	4.2
375.16022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
55.55917	0.2
57.18018	0.3
60.40902	0.2
61.27423	0.2
69.03423	0.6
69.37961	1.0
69.38367	0.5
70.06573	0.3
71.04968	0.3
79.05460	0.6
80.04994	0.3
81.07058	3.2
85.51285	0.2
91.05428	0.3
93.07017	0.3
94.06560	1.2
97.02927	0.5
99.04456	0.4
100.84737	0.3
109.06497	0.8
122.09637	0.8
123.04418	0.3
135.70395	0.3
136.11211	100.0
137.05997	3.4
137.11493	3.3
143.08578	0.3
158.09604	0.3
172.11111	0.3
173.11967	0.5
176.14403	0.4
182.11763	2.0
186.12840	0.6
200.14339	8.6
201.14749	0.5
202.41238	0.3
212.14337	0.5
228.17441	0.8
234.14897	3.1
235.15665	15.1
236.16360	3.5
274.18002	0.7
284.16431	0.6
298.17984	0.8
299.18640	1.3
319.11801	0.4
326.21109	0.3
337.12991	0.3
344.22101	0.6
354.20615	0.6
372.21680	62.3
373.22003	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	372.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.5
53.03934	0.7
54.47154	0.3
55.01876	0.8
55.05499	1.1
57.03436	0.6
57.07062	0.9
58.95674	0.4
60.00747	0.4
67.05508	3.8
69.03424	1.6
69.28028	1.9
70.06586	0.7
71.04982	0.8
71.08597	0.6
79.01853	0.9
79.05490	1.2
80.05016	0.8
81.07041	1.4
83.01347	5.4
83.04974	0.7
83.08607	0.4
83.92107	0.3
85.02860	0.4
87.04471	5.4
88.07626	0.8
90.74439	0.3
91.05479	0.8
93.07037	1.3
94.06588	2.2
95.01328	0.8
95.04972	0.5
95.08616	4.4
97.02889	0.5
99.04461	14.5
103.03956	0.8
105.06979	0.6
106.06564	0.6
106.08649	0.4
107.04948	1.4
107.08562	0.4
108.21640	0.3
109.02874	1.0
109.06501	0.5
109.10152	0.4
111.08063	1.5
118.06535	0.5
119.08549	0.6
120.08118	2.4
122.09628	0.6
123.00705	0.4
124.11237	0.3
132.08084	1.0
133.08842	1.3
133.10014	0.5
134.09653	1.3
136.11232	3.5
137.09645	0.5
139.07542	1.3
140.01109	0.3
144.08032	0.4
145.08904	0.4
146.08566	0.7
146.09647	8.8
147.10466	0.7
148.11281	0.4
150.12799	0.4
155.03395	100.0
156.03734	2.9
158.09627	0.5
160.11215	1.5
162.12788	3.6
165.05472	0.5
167.07047	12.9
167.10687	0.4
167.50978	0.4
168.07336	0.6
173.11986	0.8
174.12822	1.0
176.14355	13.5
177.14856	0.7
178.15903	2.7
183.06546	1.4
188.10751	0.5
188.14319	2.1
189.15091	2.9
190.15880	1.2
191.07033	0.9
195.06564	0.6
196.11168	0.6
202.12305	0.6
202.15958	0.4
204.13847	3.8
205.14166	0.4
209.08073	0.6
211.05853	0.3
212.14404	0.4
214.15958	0.5
216.17488	6.2
218.19046	61.3
219.19391	3.5
224.10669	0.4
228.17583	0.5
232.16963	2.2
238.12187	0.5
240.17436	0.8
244.16901	2.3
245.17569	0.4
249.16498	0.4
256.13266	0.6
256.17157	0.4
268.20612	0.5
284.16495	0.5
294.18478	0.8
296.20050	2.3
297.98099	0.4
299.18774	1.0
312.29007	0.5
316.15891	0.4
316.19125	1.5
324.32672	0.4
326.21338	0.5
328.22772	6.4
329.23157	0.5
340.19110	0.4
343.08517	0.4
354.20642	3.7
355.21014	0.6
372.21713	29.7
372.31024	3.1
372.34915	1.2
373.12946	0.7
373.21851	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	372.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05496	1.1
57.03437	1.0
57.07080	0.9
63.83189	0.5
67.01809	0.9
67.05492	2.3
69.03443	1.0
69.11888	1.5
69.12296	1.8
71.08618	0.6
79.01859	0.8
79.05479	1.4
80.04995	0.9
81.07050	1.3
83.01360	3.8
84.08109	0.6
87.04466	5.0
88.07621	1.4
91.05501	0.8
93.07043	1.2
94.06559	2.2
95.01314	0.9
95.04934	0.9
95.08611	5.4
98.22729	1.4
99.04456	15.2
103.03966	0.7
107.04966	1.6
109.02878	0.7
109.06540	0.7
111.08105	1.4
120.08103	1.5
122.09696	0.8
123.04437	0.9
132.08078	1.6
133.08826	0.7
134.09644	1.3
136.11232	7.2
137.05989	0.6
139.07529	1.4
145.08977	0.8
146.09653	9.2
146.22455	0.5
155.03395	100.0
156.03696	3.0
160.11188	1.7
162.12770	2.4
165.05513	0.8
167.07050	12.7
169.70851	0.6
174.12804	1.2
176.14365	12.8
177.14781	0.9
178.15918	1.8
183.06540	2.3
188.14343	2.1
189.15166	3.3
190.15878	1.1
191.07037	0.7
204.13814	5.9
216.17496	6.7
218.19046	56.9
219.19389	4.2
232.16978	2.1
239.12955	0.5
240.17340	0.7
244.17027	3.1
270.14883	0.6
294.18433	0.9
296.20129	2.2
316.19116	1.7
328.22729	6.8
343.08160	1.2
354.20691	4.3
372.21713	33.8
372.31070	2.1
372.34872	1.4
373.12939	1.8
373.21863	2.8
384.99438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2171
Annotation	Didehydrotuberostemonine
Peak:m/z	Relative Intensity
55.01875	0.3
67.05505	0.3
69.03405	0.3
69.33637	1.2
79.05480	0.7
79.17749	0.2
80.05002	0.3
80.66157	0.2
81.06620	0.3
81.07057	3.4
91.05473	0.2
94.06565	1.6
105.07074	0.4
108.08132	0.3
109.06555	1.2
110.09635	0.3
122.09665	0.8
136.11215	100.0
137.05980	3.7
137.11490	3.1
138.12695	0.3
146.09572	0.2
150.12744	0.4
152.37782	0.2
162.12750	0.5
176.14348	0.3
182.11771	1.0
200.14336	1.6
210.91573	0.3
234.14880	2.7
235.15662	17.0
236.16376	2.9
274.18027	1.0
298.17957	0.3
340.19034	0.4
344.22351	0.4
367.61359	0.2
372.21692	45.1
373.22025	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	372.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01870	0.7
55.05508	0.9
56.05039	0.6
57.03427	1.0
61.02928	0.9
64.30267	0.3
67.05502	1.5
69.03431	8.9
69.07071	0.7
70.06595	6.3
71.04990	5.7
71.46016	0.3
73.02919	3.5
79.05488	1.3
80.05016	1.8
81.03407	0.5
81.07064	2.1
82.06578	0.7
83.04992	1.1
84.04506	0.6
84.08141	1.4
85.02908	6.3
85.06535	0.7
86.06069	0.4
86.09711	0.9
88.07619	0.6
91.05487	1.1
94.06584	0.8
95.04958	1.7
95.08607	1.5
96.05268	0.3
96.08128	1.1
97.02879	1.9
97.06525	0.9
98.06049	0.6
99.04411	0.5
101.06030	0.5
103.03961	0.4
104.77708	0.3
105.07032	1.0
106.06605	0.4
107.04958	0.4
107.08616	0.9
108.08082	0.6
109.02928	0.3
109.06519	0.6
109.10172	0.6
110.09673	1.1
111.08083	31.7
112.07639	0.4
112.08401	0.7
112.24858	0.4
115.03912	2.0
117.03365	0.4
119.08587	1.3
120.08109	0.5
121.06476	0.5
121.10238	0.3
122.06017	0.3
122.09653	0.7
123.08082	0.7
124.07553	0.5
124.11237	1.0
125.05970	0.8
125.09681	0.5
126.09138	0.6
127.03919	1.4
130.04961	0.4
131.08578	0.4
133.04964	1.0
133.10094	0.7
134.09648	0.7
135.08006	0.5
136.11220	3.2
137.09618	0.5
138.09137	1.1
138.12753	0.5
140.10750	0.6
141.09178	0.4
145.04971	2.4
147.11577	0.5
148.07570	0.8
148.11198	1.3
150.09129	1.2
152.10733	1.6
160.11192	0.5
162.09128	0.4
162.12744	0.6
163.03906	1.8
163.06023	1.5
165.09134	1.0
165.11336	0.4
166.12279	2.9
167.10716	0.6
168.10197	0.8
170.11758	1.5
176.10898	0.4
178.05853	0.8
178.12242	0.9
180.10223	0.4
182.11856	2.0
192.13777	0.7
194.11736	0.7
196.04169	0.4
196.13367	0.5
198.11333	0.5
200.12801	0.8
206.15460	1.0
210.11275	0.7
210.14905	0.8
222.14920	1.3
223.11801	0.5
224.16464	1.3
232.13321	0.7
234.14828	0.8
236.16588	0.8
238.14330	0.8
240.15950	0.8
241.06984	0.4
250.14232	1.6
252.15977	2.4
259.08044	0.8
262.18161	1.6
264.16034	2.1
266.17621	0.8
268.15454	3.6
270.17026	1.4
280.15439	1.7
280.19034	3.5
284.18451	0.5
290.17725	1.0
295.10312	0.5
298.16537	0.8
308.18561	7.7
309.18982	0.5
320.18344	0.4
326.19562	5.2
327.19998	0.4
336.17987	1.6
336.21640	7.5
344.20789	0.4
354.18958	4.6
354.22763	12.4
355.23108	1.3
372.19992	40.9
372.23840	100.0
373.20285	2.8
373.24182	8.3
394.39621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05516	2.5
57.03467	0.5
59.67322	0.5
60.95178	0.4
64.69045	0.4
67.05486	1.1
69.03424	3.3
69.07067	0.8
69.37827	0.9
69.38225	1.7
70.06577	1.4
71.04966	0.4
73.02913	0.5
79.05495	1.8
80.05010	0.7
81.07052	1.8
82.06562	0.8
83.04977	3.0
84.08144	0.8
86.09718	2.2
90.88278	0.5
91.05470	1.1
94.06570	1.0
95.04960	1.5
95.08595	0.8
96.08120	2.4
97.06526	1.7
97.10203	0.8
99.04427	0.5
105.03389	29.1
105.07014	1.1
107.08591	1.6
108.08157	0.7
109.10169	0.6
110.09686	2.1
111.08053	0.6
119.08567	0.5
120.08089	1.2
122.09626	1.2
123.04446	1.3
124.11239	2.7
125.05981	6.0
125.09634	10.7
132.53735	0.5
134.09666	1.4
136.11203	17.0
137.05937	0.6
137.11591	0.5
138.12767	1.9
139.13126	0.6
139.81032	0.4
139.82135	0.4
140.36821	0.6
141.01784	1.4
145.02855	0.5
146.09631	0.8
148.11226	2.3
149.11977	1.5
150.09190	1.0
150.12769	1.9
152.10683	2.8
153.09094	7.8
157.10196	0.7
160.11247	0.9
162.12778	4.8
163.13509	0.5
170.11858	0.8
171.10182	1.1
174.12775	8.4
175.13521	1.0
176.10690	0.6
176.14313	4.0
177.05536	0.6
179.07028	9.1
180.13812	0.7
182.11816	0.8
183.26620	0.5
184.13284	1.7
188.14384	0.7
192.13855	1.0
197.08066	3.3
198.14706	0.5
200.14363	0.7
202.15944	0.9
210.14783	2.6
211.09563	0.8
216.13811	2.1
220.13422	0.5
230.15269	0.8
234.14868	1.0
242.15102	0.9
244.13289	0.7
246.14835	0.8
248.16446	13.4
260.16422	0.6
262.18042	1.8
266.17499	9.4
267.17615	0.7
272.16528	0.8
273.17365	0.6
274.18143	0.6
275.18610	0.5
280.19116	5.7
286.17923	0.6
298.18146	0.8
304.19052	0.7
322.20093	5.5
336.17950	0.8
336.21652	9.1
337.22241	0.7
340.21210	1.5
344.22162	1.5
354.22736	51.3
355.23032	5.3
372.24109	100.0
373.24567	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	372.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39284	1.0
55.05516	7.2
56.05027	3.3
57.03423	4.0
57.07078	7.7
58.06606	2.0
60.04529	30.4
67.05500	8.8
68.04705	1.6
68.05034	17.7
69.03441	2.1
69.05002	1.0
69.07066	5.9
70.02959	3.5
70.06572	3.8
71.04977	1.3
71.08624	3.2
71.44789	1.4
72.04517	17.4
77.49681	1.1
78.22848	1.0
79.05486	3.1
80.04999	5.4
80.16737	1.2
81.07056	9.3
82.06576	4.3
83.08601	4.8
84.04491	3.5
84.21097	1.3
85.06532	1.7
86.06075	3.7
87.04459	3.6
88.07641	7.2
91.05473	1.6
94.06564	1.9
95.08611	9.5
96.04500	7.6
96.08128	1.1
97.10171	2.3
98.06046	3.0
105.07061	1.4
106.08659	4.5
107.08597	2.5
107.24414	1.0
109.10129	4.2
110.06032	3.3
111.69168	1.3
114.05536	16.9
116.07086	7.3
121.10155	2.2
123.11742	1.2
160.61452	1.2
174.12445	1.1
207.63255	1.2
244.61259	1.1
283.26297	3.0
289.35117	1.1
306.27994	1.9
308.29352	1.6
318.27905	2.2
324.32785	2.0
336.28897	2.8
343.08066	1.7
354.30060	10.5
372.31027	100.0
372.34619	5.7
372.38754	2.5
373.12772	4.1
373.31381	8.3
373.38315	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	372.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.0
55.01866	10.8
55.05511	41.3
57.03447	6.4
57.07068	10.3
58.66705	3.7
67.05505	79.6
69.03434	7.3
69.07071	42.5
70.64050	5.9
71.05013	4.2
71.08640	17.6
73.06586	4.3
79.05502	54.7
81.03378	4.4
81.07057	100.0
83.04976	21.7
83.08619	24.6
85.06552	11.7
87.04468	21.0
88.07619	6.8
91.05477	31.3
93.07043	74.8
95.04985	16.4
95.08610	67.9
97.06547	15.8
97.10191	8.9
99.08092	21.6
105.03403	10.6
105.04482	4.7
105.07036	25.4
107.08599	37.3
109.06519	4.5
109.10149	25.2
111.08089	6.0
117.06983	5.1
119.08599	20.9
121.10154	39.5
123.08005	5.9
123.11729	9.1
125.09656	8.1
131.08578	12.5
133.10138	13.1
135.11700	22.9
136.11240	16.8
137.09651	4.1
137.13237	4.4
139.11183	37.3
143.08612	6.0
145.10133	10.5
147.11722	12.4
149.13298	11.0
151.11224	7.6
153.12656	5.0
159.11734	5.6
161.13274	9.2
163.14851	8.5
165.12839	5.6
173.13280	10.1
175.14813	4.3
187.14857	11.1
189.16428	5.0
191.14236	5.1
221.15517	9.4
223.16943	13.8
287.23688	14.1
305.24734	77.7
319.26266	11.2
328.06403	4.4
337.27371	15.9
343.08200	8.8
372.21771	22.1
372.30707	8.7
372.34927	7.0
373.12878	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	373.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03939	1.1
57.03420	1.0
69.93633	0.4
69.93967	0.7
72.92657	0.3
73.02907	1.0
76.12554	0.3
76.23900	0.3
77.03921	1.5
79.05492	1.6
83.56072	0.3
85.02895	2.6
86.09709	0.9
95.01342	2.8
95.04968	4.3
96.34166	0.3
99.00790	0.4
103.03947	0.3
105.03390	100.0
106.03726	2.1
113.02353	1.5
123.04445	3.4
131.03415	0.5
141.01820	5.3
159.02937	0.4
160.31082	0.3
170.65576	0.3
179.07028	26.7
180.07401	1.0
191.07095	0.4
197.08086	15.0
198.08409	0.7
372.23734	0.4
374.15939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
51.12306	0.3
53.03940	1.0
53.58355	0.3
57.03432	1.3
69.15212	1.8
69.15610	0.8
71.01336	0.4
73.02907	0.9
77.03915	2.5
79.05482	1.8
84.70650	0.3
85.02908	3.0
86.09708	1.3
94.43111	0.3
95.01318	2.5
95.04977	4.8
98.23533	0.6
100.64675	0.3
102.79176	0.3
103.03915	0.4
105.03392	100.0
105.04530	2.5
106.03729	2.9
113.02356	1.1
114.02583	0.4
118.28603	0.4
123.04446	4.0
137.05989	1.0
141.01823	5.3
147.04401	0.5
155.24831	0.4
159.02914	0.8
179.07033	24.9
180.07353	1.6
191.07063	0.9
194.03923	0.3
197.08080	11.9
198.08437	0.7
208.09697	0.5
355.23132	0.5
373.23953	0.6
374.16052	1.2
392.55438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25702	0.4
51.02385	0.5
53.03938	1.4
55.01862	0.6
57.03432	2.8
58.03780	0.4
60.35114	0.4
67.05500	0.6
69.03415	0.9
69.31583	2.4
69.69215	0.4
71.01366	0.5
73.02898	0.8
77.03909	2.1
79.05493	6.9
80.05013	0.7
81.03416	0.6
81.07056	0.7
85.02898	3.8
86.09695	1.8
87.21142	0.4
91.05465	1.4
93.07010	0.6
95.01318	1.5
95.04967	5.7
97.02884	0.9
103.03936	0.7
105.03390	100.0
105.06997	1.1
106.03712	2.8
107.04953	1.5
113.02366	0.8
118.08405	0.4
118.29017	0.4
119.04955	0.7
121.06491	0.7
121.20518	0.4
122.03646	1.0
122.09698	1.0
123.04432	8.4
125.05990	8.3
127.03919	0.7
133.06422	0.5
133.74486	0.4
136.11176	0.6
137.05966	7.2
141.01825	2.9
145.06488	0.9
147.04382	0.7
148.11232	0.4
149.05992	1.1
150.09143	1.9
159.02850	0.4
164.04332	0.4
167.06993	0.8
173.05966	1.4
179.07025	37.8
180.07390	1.6
180.14116	0.4
190.15941	0.6
197.08081	9.1
199.22377	0.4
201.05434	4.5
208.16846	0.6
219.06433	1.0
220.13353	0.5
236.16483	1.1
246.14859	0.8
265.08694	0.8
293.08047	0.6
300.86584	0.5
302.17526	0.8
307.09656	0.8
320.18497	1.2
325.10788	2.2
343.11765	0.7
356.20636	6.9
361.65579	0.5
373.17938	1.0
373.22220	4.4
374.23499	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	373.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35116	0.9
53.82053	0.8
55.01869	2.5
56.05040	1.4
67.05492	1.8
69.03423	1.8
69.07067	2.4
70.06597	6.1
71.05000	2.5
71.44132	1.6
72.08151	1.4
76.02225	1.5
79.02177	1.0
79.05478	2.3
80.05006	1.1
81.07042	2.9
82.56509	1.0
83.06116	4.7
84.04501	11.7
84.08138	3.4
85.06561	1.1
86.06057	1.7
86.09706	34.7
91.05475	9.9
93.07045	2.2
94.04192	2.0
95.04958	4.9
95.08554	1.0
98.05266	0.9
98.05992	1.0
99.04432	1.3
99.05588	1.0
101.07122	4.0
103.05453	4.4
105.03390	1.2
105.07024	3.5
107.04949	2.2
107.08608	1.2
109.06516	2.3
111.04432	1.3
114.05515	2.9
115.05469	3.8
117.03358	2.3
117.06969	2.4
119.04929	7.9
121.06514	5.1
122.03631	6.7
123.04427	2.2
124.05195	1.5
127.91502	1.1
129.06598	4.3
129.10229	2.0
130.04173	1.7
131.04922	3.7
132.10181	7.8
133.02936	1.2
133.06487	3.1
135.04427	3.3
135.08061	1.7
136.07573	1.3
137.05974	100.0
138.06339	2.8
138.09177	1.2
143.04910	2.2
143.11795	1.5
144.31516	1.0
145.02835	3.0
145.06488	7.1
146.05957	2.2
147.04422	13.3
148.04671	1.1
149.05983	6.3
150.06741	5.5
151.03960	1.4
157.06345	1.0
158.03639	2.8
159.04428	1.4
159.07973	1.3
160.05170	2.9
161.05956	6.0
162.05580	1.1
162.06726	6.0
163.07578	5.5
170.06084	1.3
171.11371	1.1
173.05980	13.1
174.06400	1.1
175.03932	2.6
175.07553	3.2
177.04245	1.2
177.05472	8.5
177.06982	2.3
178.07748	1.1
179.06999	3.9
179.08430	1.5
180.07762	1.8
186.03081	3.3
187.03825	2.0
189.05409	2.0
189.06966	1.3
190.08633	3.2
191.07031	23.6
193.04962	2.8
193.06604	1.3
194.07224	2.4
196.14407	5.9
197.12817	3.1
199.04007	1.4
201.05461	51.5
202.05804	4.1
203.07033	3.2
203.13919	2.2
204.04172	3.8
205.04791	1.7
205.06471	6.1
206.07140	1.6
207.06502	6.1
208.06761	1.5
208.09689	37.6
211.07350	1.1
213.05515	1.5
214.15501	2.0
219.06497	14.6
219.08368	1.3
220.06796	1.4
221.06012	2.4
222.06726	3.4
223.07553	1.8
224.13893	1.6
225.16808	1.7
231.06517	4.7
233.05809	5.0
234.06621	3.2
235.07408	1.6
237.09094	3.8
239.03954	2.0
239.07144	1.1
242.15015	1.6
247.07509	2.4
249.05354	1.4
249.09235	1.2
250.06157	5.1
251.07010	3.4
253.08693	2.2
253.16380	1.7
262.06100	2.1
263.06854	1.4
264.07684	2.5
265.08606	11.5
266.09195	2.4
277.08615	3.6
278.05853	2.4
279.06305	1.2
281.07959	1.3
283.09583	1.9
284.09860	1.2
291.06631	1.2
291.17798	2.1
292.07196	2.7
293.07980	8.1
294.08771	1.4
297.11234	2.7
305.08060	2.6
307.09631	9.7
309.11365	1.6
309.18631	1.4
311.08994	1.7
313.10669	1.3
315.13254	1.0
323.09006	3.6
325.10663	25.3
326.10977	3.0
327.19897	4.2
337.10641	8.0
337.17871	1.3
339.12079	1.3
343.11838	5.5
355.11725	6.9
355.19400	9.6
355.23267	4.4
356.14932	2.7
373.17984	2.5
373.22369	2.4
374.15912	9.9
374.19669	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1286
Annotation	7,8,3',4',5'-Pentamethoxyisoflavone
Peak:m/z	Relative Intensity
51.73046	0.5
55.01878	1.5
55.05513	0.6
57.50108	0.5
65.03942	2.4
67.05505	3.6
69.03445	2.5
69.07069	1.2
69.49693	2.8
79.05481	1.9
81.03418	21.5
81.07051	2.1
82.03756	0.5
82.06605	0.8
83.08631	1.1
84.08141	1.2
91.05480	1.1
91.79008	0.5
93.03416	0.8
93.07026	1.1
95.04966	3.1
95.08601	1.1
97.06534	4.3
98.23451	1.1
99.04528	0.5
105.04469	0.7
105.07043	1.2
107.04993	0.5
107.08607	1.0
108.02095	1.8
109.02869	1.3
109.06535	0.7
109.10171	0.7
110.09678	1.6
111.04453	0.8
115.05441	1.6
117.07032	1.1
119.08570	0.7
121.02930	0.8
121.03987	0.8
122.03678	1.4
123.04439	1.0
125.06010	0.8
126.12795	1.5
128.06248	1.7
129.07013	9.3
133.06554	0.6
135.04414	19.1
135.11809	0.6
136.01576	1.1
137.05977	25.9
138.09142	1.1
140.14395	0.7
141.05467	2.3
143.04915	2.2
145.06496	1.1
149.02339	6.5
149.06006	1.2
151.03912	100.0
151.05019	9.3
152.04218	3.0
153.05510	1.2
157.06488	11.0
159.04417	1.5
161.06004	1.7
163.03935	1.3
163.07564	0.7
165.05536	2.6
171.04422	2.0
173.05995	1.6
175.07564	2.5
185.06010	1.0
187.07538	7.8
189.05467	2.3
189.07100	0.7
189.09148	1.5
191.07025	1.7
201.05481	6.7
203.07042	8.3
205.06677	0.8
205.08620	11.4
207.08029	0.6
213.05453	1.1
213.09181	0.6
215.06941	0.8
218.07350	0.6
219.06345	1.1
219.08113	1.6
221.08130	1.3
226.06218	0.6
231.06537	2.3
233.08083	2.6
241.05009	1.6
246.06601	0.5
247.07602	1.2
249.11285	1.2
259.07544	1.0
263.06912	0.8
269.04614	0.8
275.07031	0.7
277.08450	0.9
279.10074	1.1
282.08633	0.8
283.06067	1.3
284.06805	10.0
285.06979	0.7
287.07034	1.1
291.10083	0.6
295.09665	1.9
305.08170	0.8
307.09683	2.2
309.11124	1.6
310.08319	0.9
319.09686	5.4
325.10693	7.5
326.11102	0.9
337.10712	7.5
338.11087	1.0
343.11682	2.0
355.11691	9.2
355.15509	1.2
356.12048	0.9
373.12329	1.0
373.16440	2.8
373.21146	1.0
374.23288	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63063	1.5
60.41244	1.3
62.00481	1.5
69.07077	9.4
69.11646	8.4
71.04996	30.2
75.50146	1.3
81.07083	2.8
86.09707	5.8
87.04521	1.5
95.08566	1.5
105.03460	1.5
109.06557	1.9
110.09718	1.8
116.04983	1.6
136.11195	3.7
137.05983	2.4
137.58949	1.4
138.12790	5.1
170.11710	1.8
190.04996	2.8
214.08549	1.7
226.25313	1.8
259.10800	41.3
260.09164	83.1
261.09576	5.9
262.18018	18.2
280.06076	2.4
294.03854	2.3
327.17035	91.2
328.17239	8.2
332.59793	1.6
343.08218	3.3
373.13361	3.9
373.17514	100.0
374.17941	8.4
374.23212	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03940	2.1
55.01874	2.1
55.05511	7.7
55.33487	0.9
57.03442	3.5
59.88034	0.9
61.02925	3.1
65.03956	1.5
67.05502	21.1
69.03429	5.6
69.07050	1.4
69.56315	4.0
69.56656	1.0
71.01362	1.1
71.04987	1.6
73.02930	2.1
73.88379	0.9
77.03950	2.3
79.05508	4.2
80.90844	0.9
81.03422	3.5
81.07060	9.8
83.04984	22.2
83.08607	1.6
84.05375	1.1
85.02906	19.1
86.09697	1.4
91.05482	4.4
93.07039	6.5
95.01321	1.8
95.04968	72.1
95.08604	10.4
96.05304	1.8
97.02878	6.2
97.06542	2.5
98.23412	2.0
99.04465	1.9
99.08096	7.1
101.06020	1.5
105.03394	77.9
105.07038	1.8
106.03733	2.4
107.08585	7.9
109.02866	2.1
109.06528	6.0
109.10156	74.7
110.10467	2.2
111.08073	1.2
113.02352	1.3
119.08600	4.9
121.06518	1.5
121.10124	4.6
123.04440	2.5
123.08070	1.2
123.11717	5.0
127.03931	3.0
131.23634	1.0
133.10136	4.4
135.08069	3.8
135.11676	4.5
137.06021	3.3
137.09615	75.6
138.09985	2.5
141.01860	3.6
145.04982	1.4
147.08058	1.0
149.13277	1.9
155.10677	17.1
161.09660	2.6
165.16455	4.3
175.14841	3.3
177.05490	1.2
177.09090	1.4
179.07034	16.9
179.08452	1.6
179.10674	2.4
180.07448	1.0
193.15880	100.0
194.16241	4.9
196.32468	0.8
197.08089	10.4
197.11725	3.0
201.05424	1.1
211.16928	27.5
211.18880	1.7
217.15909	3.2
235.16972	3.2
253.17982	1.8
256.49152	0.9
270.98904	1.0
281.14005	2.0
295.19003	1.3
319.19037	1.4
337.20020	4.1
338.39624	1.0
355.21375	2.2
373.18039	1.2
373.22375	2.0
374.19479	1.0
399.25516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	100.0
56.05839	3.2
57.07061	2.5
62.68357	2.2
66.05473	2.3
67.05502	10.6
69.07066	6.1
69.66112	4.8
69.66462	7.0
70.06579	4.2
71.04984	2.8
79.05482	9.8
81.07048	16.8
83.08620	46.3
84.08978	3.1
87.04433	2.7
88.07634	9.9
91.05490	21.4
93.07052	16.4
95.05004	2.6
95.08611	10.6
95.94993	2.5
97.06480	3.7
97.10177	6.5
105.07024	20.7
107.08587	8.6
109.06512	3.4
109.10146	5.0
115.05446	2.9
117.07024	8.3
119.08598	13.5
121.10154	5.8
123.08044	2.5
128.06218	6.2
128.25981	2.3
128.28972	2.4
129.07019	6.8
131.08575	25.5
133.10133	11.7
135.11671	3.7
143.08589	19.1
145.10126	30.1
147.08005	4.0
147.11688	4.1
149.09738	2.9
149.13303	2.4
157.10115	6.6
159.11714	7.7
161.09645	4.2
169.10115	3.1
171.11650	4.1
177.12828	2.6
181.10153	2.7
182.53873	2.4
185.13255	3.2
195.11656	7.0
237.16579	4.5
273.18488	17.4
274.18875	2.9
312.32669	3.3
343.08151	11.6
355.46234	2.5
373.12827	16.0
373.34851	3.4
374.23334	4.6
374.36169	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57802	0.4
56.05035	3.9
56.96563	1.4
58.99588	1.6
60.04527	0.7
67.05500	1.2
69.03423	0.6
69.04961	0.5
69.07063	1.1
69.21267	0.5
69.71618	0.7
69.71959	1.8
70.06597	4.8
71.05004	1.1
72.08160	3.0
75.05611	0.7
79.05463	0.9
80.05019	1.4
80.08255	0.5
82.06590	3.9
83.06123	0.9
84.04517	2.3
84.08144	100.0
85.01142	1.2
85.02924	0.7
85.06548	0.8
85.08472	1.8
86.00646	5.0
86.09708	20.9
87.05589	0.6
87.10044	1.5
88.05145	0.5
89.03942	1.4
91.05508	0.7
94.06569	8.0
95.04973	1.6
96.08143	0.6
98.22717	1.0
98.97591	2.5
101.10777	4.1
108.08150	0.6
110.06037	2.1
110.07171	5.4
111.02686	1.0
116.98564	0.8
117.03344	0.8
120.08092	1.4
122.06039	1.8
124.03974	1.5
124.11244	0.6
126.03742	18.4
126.05519	0.9
127.08653	0.7
128.05298	16.7
129.06587	0.6
129.10239	13.2
130.05035	0.8
130.08638	7.7
133.06134	0.9
135.04425	2.0
138.03728	1.2
138.09117	1.0
141.01822	0.8
143.11774	1.4
145.02844	1.2
147.07681	1.4
147.11285	10.9
148.11595	1.2
150.05548	1.2
150.09140	0.7
154.03204	10.7
156.04779	60.2
157.05106	2.0
163.03912	11.0
164.04282	1.0
166.08662	0.7
167.00249	0.6
170.04509	0.7
172.04276	4.1
173.12801	0.6
175.11990	0.6
177.05510	1.1
178.12289	0.5
181.10823	0.6
182.02736	1.3
184.04294	6.6
184.09731	0.8
186.08728	0.7
187.09010	1.2
197.07454	1.5
198.07573	1.1
199.05411	1.1
199.18134	2.1
200.03755	11.9
200.05481	1.0
200.13992	0.9
200.18256	0.6
204.09785	0.8
209.10394	2.2
213.00777	0.8
222.15036	0.8
227.17473	0.6
228.03374	1.7
231.01788	0.8
234.14830	1.3
243.01907	1.1
247.65070	0.5
254.17557	0.6
255.01721	1.7
259.99811	0.6
260.19656	1.0
261.19974	0.7
262.97330	0.5
264.15976	0.6
267.11740	0.5
273.02939	2.0
278.17590	0.8
282.12762	0.9
282.16934	2.2
294.12656	2.7
300.18137	2.1
310.12219	10.3
310.19757	0.7
328.13269	0.8
330.14795	7.9
331.15106	0.8
338.11725	0.7
338.19830	1.2
342.19446	0.6
356.12781	6.5
356.20462	3.5
357.21454	0.8
373.27960	1.7
374.13858	71.1
374.21249	22.5
374.28897	1.1
375.14432	4.5
375.22266	2.4
392.22049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.36896	0.4
55.01871	4.1
56.14694	0.4
57.03449	2.3
60.04535	0.5
61.02934	2.5
61.31248	0.4
65.03927	1.8
65.48724	0.5
68.99787	1.0
69.03433	14.7
69.48301	1.8
71.04990	1.6
73.02924	3.3
81.03420	10.3
81.07088	0.7
83.01342	0.6
83.04996	0.5
84.15783	0.4
84.53518	0.5
85.02911	43.8
86.03221	0.6
87.00279	0.6
87.00835	19.6
91.05485	100.0
92.05818	3.4
97.02896	14.3
97.28737	0.4
98.22665	0.8
99.04458	6.4
103.03938	1.3
105.01871	32.7
105.07047	2.2
106.02261	0.5
107.20836	0.5
108.04490	1.5
109.02885	13.4
114.72844	0.4
115.03938	0.9
117.01859	1.6
117.07044	0.9
125.47200	0.4
126.05508	0.9
127.03920	30.9
128.04292	0.9
129.01849	1.6
129.06984	1.3
133.06506	1.5
137.05997	0.4
143.03511	0.4
143.08574	0.5
145.04964	18.2
145.06438	1.1
146.05238	0.5
147.02914	0.8
147.08003	0.6
157.06537	1.2
159.02913	7.4
171.08080	0.9
175.07550	2.3
176.14372	1.5
177.05519	0.5
178.15866	0.6
181.06546	0.8
185.14044	0.4
189.03999	2.4
195.06554	1.1
199.07564	2.1
202.15854	3.2
213.04018	1.8
217.08577	2.0
220.16985	8.0
230.06628	1.0
231.05003	11.3
232.05470	0.6
248.07710	1.0
249.05974	3.4
300.13586	0.9
307.10693	0.6
321.09680	1.3
339.10800	0.7
374.19272	2.3
374.23590	4.0
394.41690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01867	3.0
57.03433	2.3
57.83578	0.5
58.89224	0.5
61.02922	3.3
65.03923	1.3
68.14564	0.5
68.99786	1.2
69.03062	1.0
69.03429	16.3
69.40421	2.6
71.04989	2.0
73.02914	3.4
80.05029	0.7
81.03424	9.8
83.04976	0.7
85.02901	43.7
87.00284	1.0
87.00825	20.2
91.05477	100.0
91.61056	0.5
92.05815	2.6
93.07043	0.8
97.02893	15.2
98.03210	0.7
99.04449	7.9
103.03909	0.8
105.01862	31.4
105.07032	2.1
108.04475	1.5
109.02873	12.0
115.03932	0.7
117.01854	1.4
117.07084	0.6
119.08591	0.6
127.03908	33.0
128.04263	1.1
129.01849	1.8
129.07001	1.4
133.06499	1.9
136.11203	6.7
145.04965	16.9
145.06470	2.2
147.02910	1.4
153.07045	0.5
154.86971	0.6
157.06468	1.5
159.02876	6.8
168.06671	0.6
171.02893	0.7
171.08032	1.7
175.07565	1.6
175.11113	0.7
176.14336	0.7
177.04073	0.7
178.15918	1.3
181.06436	1.1
182.11745	1.6
189.03923	3.0
195.06517	0.9
199.07550	2.0
213.03960	1.3
217.08635	2.2
230.06662	0.7
231.04991	11.1
232.05119	0.6
248.07629	1.2
248.16440	1.1
249.05975	3.0
276.19592	4.9
281.91379	0.7
300.19775	1.0
321.09702	1.6
339.10895	0.9
374.19620	2.0
374.23334	22.9
375.23734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01863	3.1
57.03440	2.5
61.02906	2.4
63.00045	0.6
65.03937	2.1
68.99780	2.0
69.03429	17.2
69.94807	2.0
71.04995	1.7
73.02911	3.4
81.03413	10.0
85.02906	47.5
87.00834	23.1
91.05482	100.0
92.05825	3.2
97.02892	15.6
98.22683	0.7
99.04452	6.0
103.03971	1.1
103.99126	0.7
105.01865	28.2
105.03362	1.2
105.07024	1.6
106.03786	1.0
108.04485	2.0
109.02872	14.8
110.48019	0.7
115.03932	1.1
117.01816	1.5
126.05511	1.5
127.03915	37.1
128.04169	0.9
129.01857	1.6
129.06990	2.3
133.06596	1.0
145.04961	15.8
145.06528	1.6
147.02910	2.1
157.06511	1.7
159.02885	6.7
171.08076	1.5
175.07581	1.1
177.03917	0.7
177.32379	0.7
181.06512	1.1
189.03983	2.2
199.07542	2.2
213.03923	1.1
230.06595	1.3
231.04982	10.5
231.07089	1.1
248.07677	0.9
249.06110	2.9
288.82965	0.7
321.09695	2.1
374.23462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01867	1.6
56.96567	2.0
57.03427	3.1
61.02925	1.4
65.03939	2.6
67.05496	1.0
69.03064	1.3
69.03433	23.0
69.07088	0.8
70.18819	1.4
71.01354	1.5
71.04989	4.1
73.02927	1.4
78.28950	0.6
81.03422	12.2
81.07050	1.1
81.65554	0.5
83.01343	1.4
84.96047	1.4
85.02910	26.1
86.03268	0.6
86.09700	4.0
87.00831	13.8
87.04474	1.8
91.05482	100.0
92.05801	3.3
93.07037	0.8
95.04984	0.9
95.08659	0.8
97.02895	37.2
98.97593	10.2
99.04459	11.2
101.02392	0.9
105.01868	11.7
105.03377	0.7
105.07005	1.1
106.03722	0.8
107.08583	0.7
109.02882	5.3
110.97580	2.6
115.03926	3.3
116.98633	2.4
117.07033	1.0
127.03919	42.3
128.98608	2.5
132.10262	0.8
133.04968	1.4
133.10207	1.0
134.99599	0.8
138.12830	0.7
143.00140	1.2
143.03386	1.1
145.04964	31.8
146.05356	0.9
146.99712	0.8
149.09679	0.7
152.98593	0.7
158.99683	1.7
167.07036	0.7
169.20544	0.7
171.02925	1.3
176.10750	0.8
177.00684	1.2
177.05466	0.9
194.11794	2.4
212.12743	0.8
212.16399	0.6
213.03944	0.8
215.14027	0.7
217.08624	1.0
219.01733	3.4
231.04997	23.6
232.05394	1.1
237.02815	3.9
249.06090	13.0
261.06583	2.1
266.08972	0.8
276.19852	0.7
279.07523	14.5
285.31137	0.7
297.08591	3.4
302.09116	0.8
306.09247	1.0
346.23807	2.3
374.19409	6.4
374.23260	15.9
375.09982	4.2
375.23709	0.8
393.10471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01874	1.8
55.05507	1.1
57.03434	2.1
58.29935	0.6
61.02933	3.1
67.05509	1.2
69.03422	6.2
69.61008	1.3
69.61367	1.2
70.06573	1.4
71.04995	1.4
73.02921	1.0
79.05486	2.0
80.04997	1.2
81.03410	3.3
81.07053	1.6
82.60071	0.6
83.01337	2.2
83.04971	1.0
85.02907	19.4
86.03269	0.7
89.03910	3.9
91.03945	0.8
91.05470	1.8
93.07046	1.7
95.04974	4.8
95.08626	0.8
96.05315	1.1
96.08144	0.9
97.02895	4.7
99.04449	1.2
99.08109	1.3
103.05457	0.7
103.38934	0.6
105.03376	1.3
105.07006	1.5
107.04984	3.8
109.02885	1.7
109.10143	2.7
110.10446	0.8
117.03378	14.9
119.08568	0.9
120.08084	2.0
121.06493	1.5
121.10144	0.7
121.86180	0.6
123.04449	1.1
127.03924	2.4
130.05075	0.6
130.06544	0.7
134.03641	1.4
135.04436	2.0
135.08040	0.6
136.11214	0.8
137.05975	0.8
137.09634	2.1
138.10007	1.3
138.12756	4.9
145.02847	41.3
145.04758	4.4
146.03224	1.6
148.07594	1.0
149.06000	7.4
150.09109	0.7
151.03915	1.2
153.05458	0.9
155.10602	0.7
159.08098	0.8
162.12799	2.7
163.03958	2.3
163.07578	0.8
166.12350	0.7
174.12723	0.8
175.07460	1.0
176.14265	1.3
177.05470	100.0
178.05840	3.6
180.08699	1.4
186.05511	0.8
188.14235	0.8
190.12334	0.7
193.15953	1.9
194.08148	2.2
194.16220	2.8
195.06529	55.4
196.06848	2.5
204.13840	17.0
204.15741	0.8
205.14474	1.2
206.15402	0.9
211.16895	1.0
212.17256	0.7
234.14873	2.0
260.16367	2.3
261.11230	2.7
269.45093	0.7
274.17993	0.7
292.19070	0.8
310.20062	1.1
328.20145	0.8
346.20190	0.9
356.20749	5.5
374.19534	60.4
375.12695	4.7
375.19836	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	374.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
57.03423	0.9
67.05518	0.4
68.99785	1.0
69.03417	0.8
69.40952	1.3
70.06287	0.3
70.06596	2.9
71.01331	0.4
79.05480	0.7
80.09210	0.3
81.07040	1.0
83.01349	0.6
83.90676	0.3
84.04524	0.3
85.02888	0.9
86.09686	1.4
87.00847	0.4
87.10059	0.3
91.05478	4.2
93.07012	0.5
94.04217	0.4
95.04951	1.5
95.08575	0.5
97.02870	0.9
98.97596	0.4
105.01837	0.3
105.03384	0.4
105.07021	1.1
107.04955	0.9
107.08574	0.6
109.02870	0.5
109.06522	0.4
117.07024	2.6
119.04932	1.5
121.06516	3.1
122.03648	1.1
127.03918	1.1
132.10190	0.5
135.04416	1.3
135.08066	3.0
136.07565	1.3
137.05974	28.1
138.06303	0.8
145.05008	0.8
145.06496	1.9
147.03290	0.6
147.04401	7.4
149.06001	2.5
151.03941	1.6
157.06502	0.8
161.06004	0.8
163.03886	0.7
163.07533	9.7
164.07816	0.6
165.05457	0.9
167.07018	0.6
173.06003	4.5
175.07512	0.8
176.04689	0.5
177.05484	1.2
179.07019	4.6
185.05995	0.6
187.07649	0.3
188.07082	0.4
190.08618	9.6
191.07028	53.0
192.07346	1.8
193.04993	0.4
202.08565	0.4
203.07043	2.8
208.09683	100.0
209.10042	3.6
215.06953	0.4
215.13736	0.4
220.09682	3.0
221.08052	0.5
231.05057	0.7
279.07425	0.5
339.12274	5.4
340.12686	0.5
356.14905	5.6
357.13123	1.9
374.15952	25.4
374.23502	1.3
375.16232	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	374.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05504	1.9
57.03437	1.0
61.02925	1.0
67.05513	2.0
68.99789	1.5
69.03432	6.0
70.06601	1.5
71.01383	0.8
71.04997	2.5
72.08163	2.1
79.05504	2.6
80.05015	3.8
81.03420	1.6
81.07070	2.5
82.06624	0.9
84.04504	0.8
84.08144	9.6
85.02908	16.7
85.08501	1.4
86.09697	5.0
87.04440	0.8
91.05513	1.9
93.07024	1.9
94.06566	2.2
94.58009	0.7
95.04983	2.4
95.08627	2.3
96.08115	1.0
97.02878	4.0
97.06548	1.2
98.06070	0.9
99.04459	1.1
99.71406	0.8
105.07008	1.2
106.06554	4.8
107.04961	15.4
107.06915	1.8
107.08604	2.3
109.02904	3.1
109.10145	1.2
110.09687	1.1
120.08145	0.7
121.06519	8.3
121.10133	1.1
122.09661	6.2
123.04449	5.4
125.06012	1.3
125.09653	1.5
126.06361	0.7
127.03926	2.9
129.06969	1.1
129.10245	4.7
129.99609	1.0
130.05096	1.1
130.10570	1.9
131.08588	2.4
134.09634	1.1
135.04407	18.9
135.08057	1.2
136.04762	0.8
136.11238	0.9
137.06006	1.5
138.12805	3.4
138.68552	0.7
145.02863	1.1
145.03976	0.8
145.04951	4.3
148.11208	1.6
149.05975	34.4
149.09622	5.2
150.06340	1.1
150.09102	6.5
152.10669	0.9
153.09074	1.1
159.08026	2.0
162.06784	1.5
162.09200	2.0
163.07616	1.0
168.10181	4.7
170.12125	0.9
176.10722	2.3
177.05635	2.7
177.09108	100.0
178.09433	5.7
178.12238	2.1
189.09091	1.1
194.11839	1.6
201.09117	1.3
213.09149	1.2
220.13335	1.6
222.14970	1.2
234.14970	2.6
243.10190	1.8
246.14877	1.0
250.14294	1.3
252.15958	1.1
258.86017	0.8
274.10934	0.9
274.18018	2.1
278.26086	0.9
282.16882	0.8
285.11011	1.2
292.19092	1.3
303.12314	1.7
310.20023	5.3
320.18469	2.5
328.15601	1.2
328.19025	1.4
329.11484	1.2
338.19565	1.7
356.20679	21.6
357.20972	2.6
374.09610	1.6
374.15533	7.1
374.20010	17.8
375.06595	1.3
375.12073	1.6
375.16180	1.6
375.19989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1965
Annotation	3-epi-2,18-Dimethoxyschelhammericine
Peak:m/z	Relative Intensity
55.01857	0.8
55.05502	0.8
57.03411	0.4
57.03819	0.4
57.07072	0.6
67.05495	1.0
69.03424	3.4
69.07073	0.4
70.06609	0.5
70.95189	0.5
71.04999	0.4
79.05491	2.0
80.05019	0.6
81.03413	1.5
81.07053	1.7
82.30742	0.4
82.84314	0.4
83.01345	5.4
85.02901	5.3
85.06527	0.5
89.03909	0.9
91.05505	2.1
93.07039	1.5
94.06545	0.5
95.04968	2.5
96.08132	2.8
97.02898	1.7
99.04477	0.6
105.03376	0.4
105.07024	1.6
106.06530	1.6
107.04932	0.7
107.08572	0.5
109.02889	0.7
109.10188	0.4
117.03398	4.7
117.07022	0.5
118.06522	0.7
118.98000	0.4
119.08572	0.7
120.08084	2.6
121.06491	1.2
123.04422	0.9
127.03924	1.2
128.06110	0.4
131.08574	0.5
132.08095	0.9
133.05196	0.4
134.09669	0.8
135.04427	0.6
135.08032	0.7
136.11223	0.9
137.05968	0.9
137.09637	0.5
138.12793	5.8
141.01840	1.1
144.08040	0.5
145.02856	11.8
145.04939	1.6
146.03227	0.6
147.06790	0.8
148.07555	2.6
149.05981	2.3
149.09592	0.9
151.03912	0.5
152.07079	0.6
152.10674	0.7
159.08063	0.7
159.11794	0.5
161.08331	0.5
162.09132	1.4
162.12778	4.4
162.87450	0.4
163.03940	0.8
164.14391	0.6
169.04962	1.1
174.12878	1.0
175.07576	1.4
176.14345	2.3
177.05481	31.0
177.09023	1.2
178.05850	1.5
178.12265	0.8
180.08723	0.5
186.12801	0.7
187.07533	0.5
188.14351	0.8
190.12282	1.3
193.15981	0.7
194.16173	0.5
195.06543	16.2
195.08356	0.9
196.06854	1.1
198.24496	0.5
204.13849	37.2
205.14296	2.9
206.15404	2.1
207.06500	0.7
218.15440	0.8
232.16907	1.2
234.14972	2.4
246.19086	0.4
249.07573	0.8
253.08513	0.6
259.09592	0.5
260.16467	5.0
261.11304	5.2
261.13925	0.8
262.11493	0.4
262.17993	0.7
271.09589	0.9
292.18970	0.5
293.38663	0.5
310.20129	0.8
330.64066	0.4
344.18494	0.4
346.19949	0.9
356.20438	3.8
374.19614	100.0
375.12808	2.1
375.19937	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	374.1965
Annotation	3-epi-2,18-Dimethoxyschelhammericine
Peak:m/z	Relative Intensity
53.03960	0.5
55.01868	0.9
55.05519	0.8
67.05500	0.9
68.05016	0.4
69.03435	2.7
69.07062	0.5
69.24748	0.4
70.06599	2.5
79.05486	2.1
80.05019	1.2
81.03401	0.5
81.07057	1.7
82.06578	1.0
83.01331	5.0
83.07365	0.8
84.08134	1.5
85.02901	1.0
85.06533	0.6
86.09705	1.2
91.05482	5.3
93.07030	2.2
94.06558	1.3
95.04965	1.2
95.08590	1.0
96.08140	3.4
99.04499	0.7
105.07024	5.0
106.06543	0.7
107.04922	1.0
107.08598	1.0
108.08152	0.6
109.06509	1.0
110.09667	1.0
117.07019	1.5
118.06599	0.5
119.08578	5.2
120.08111	1.9
121.06525	1.3
121.08858	0.4
121.10166	1.0
122.09663	1.6
123.04417	0.6
123.08099	0.5
124.11217	1.0
127.03895	0.5
129.06996	1.3
131.08586	1.2
131.39743	0.4
132.08134	1.0
133.06500	1.0
133.10141	0.8
134.09639	1.0
135.04379	0.5
135.08055	1.1
136.11220	13.4
137.05963	1.2
137.11554	0.6
138.12775	7.1
139.07593	0.6
142.07698	0.7
144.72153	0.4
145.06429	0.7
145.10088	1.1
146.06021	0.4
146.11765	0.4
147.04422	0.5
147.08032	1.6
147.11699	3.8
148.07553	1.0
149.09660	1.3
150.09151	1.5
151.03912	0.9
151.92630	0.4
152.10703	1.6
154.12271	0.5
157.10147	1.3
159.08047	0.8
162.09161	1.0
162.12791	1.6
163.07509	0.5
164.10802	0.8
165.12680	0.4
166.12267	0.6
168.10222	1.4
169.04967	0.6
173.09633	1.3
174.12846	0.5
175.07542	1.6
175.11172	6.0
176.14343	2.7
177.09157	1.1
177.12859	0.7
178.15875	3.7
179.07074	0.5
180.10236	0.7
181.04907	0.5
182.11783	9.7
187.07642	0.5
187.11174	0.4
188.14340	1.4
190.12233	0.6
190.15926	1.0
191.07001	2.4
197.09673	0.4
197.94234	0.4
204.13835	7.3
205.08620	0.6
205.12390	0.7
205.14459	1.2
206.11694	1.0
206.15410	2.1
207.06453	0.6
207.13811	4.0
208.09666	2.4
208.13210	0.8
215.10681	0.6
219.06541	0.5
232.16937	0.5
234.14996	0.9
234.18404	0.8
236.16374	1.6
245.18715	0.5
248.16496	1.5
249.07564	1.4
259.09619	0.7
260.16473	2.0
261.11224	6.7
262.11566	0.5
262.17993	1.3
271.09601	1.1
272.16476	0.5
274.18173	0.5
276.19586	6.9
288.15530	0.4
290.17352	0.4
298.17877	1.0
300.19574	2.9
314.21170	0.5
330.19611	0.4
342.20663	6.9
343.20798	0.5
344.18811	0.5
346.20084	2.4
346.23788	0.6
356.18515	0.6
360.18338	0.6
374.19522	100.0
374.23398	51.1
375.19882	11.1
375.23752	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1967
Annotation	Isostephodeline
Peak:m/z	Relative Intensity
55.01873	0.9
55.05517	0.9
56.05034	0.6
57.03442	0.6
67.05502	1.4
68.05013	0.4
69.03423	2.5
69.07062	0.9
69.98929	0.4
70.06589	2.1
71.04979	0.6
73.06554	0.5
79.05493	2.8
79.69315	0.4
80.05028	1.2
81.07059	1.8
82.06583	1.0
83.01346	5.2
83.07355	0.6
84.04512	0.7
84.08141	2.2
85.02892	1.2
86.06065	0.4
86.09721	1.4
91.05485	4.2
93.07037	2.6
94.06571	1.2
95.04977	1.4
95.08590	0.6
96.08141	3.2
97.02877	0.5
99.04431	0.7
105.07028	4.4
106.06558	0.5
106.07290	0.4
107.04957	0.7
107.08611	1.3
108.08143	0.9
109.06528	0.6
109.08907	0.6
109.10149	0.4
110.09673	0.7
117.07021	1.1
119.08588	6.0
120.08091	2.2
121.06503	1.0
121.10149	1.1
122.09672	2.5
123.04463	0.5
123.08037	0.5
124.11241	0.7
127.03928	0.5
128.06139	0.4
129.06982	1.3
131.08620	1.7
132.08055	0.5
133.06519	1.2
133.10168	0.9
134.09627	1.4
135.08067	0.7
136.11211	14.1
137.05988	1.4
137.11586	1.1
138.12772	7.5
139.07634	0.4
141.01822	0.7
141.05464	0.5
142.07755	1.3
145.06531	0.4
145.10143	0.9
147.04407	0.4
147.08025	1.5
147.11694	3.0
148.07565	0.5
148.11185	0.7
149.09633	1.2
150.09149	1.1
150.12793	0.8
151.03922	1.1
151.07520	0.8
152.10716	1.2
154.12305	0.5
155.08600	0.4
157.10120	1.0
158.07231	0.6
159.08049	1.0
160.08861	0.4
160.11238	0.5
162.09096	0.7
162.12778	1.9
163.07562	0.6
163.09898	0.5
163.55252	0.3
164.10699	0.8
164.14301	0.4
166.08678	0.5
168.10182	0.8
169.05005	1.0
173.09631	1.0
174.12794	0.5
175.07556	1.2
175.11169	5.4
176.14334	3.0
177.09129	1.1
177.12740	0.5
178.15930	3.7
181.04936	0.4
182.11765	8.4
183.12056	0.4
187.07518	0.8
187.11211	0.8
188.14388	1.1
190.12199	0.4
190.15828	0.4
191.07077	1.4
202.12254	0.4
202.15851	0.6
204.13831	7.0
204.17372	0.3
205.14444	0.8
206.11792	0.9
206.15411	1.9
207.13832	3.2
208.09694	2.3
208.13423	0.8
232.16986	0.9
234.14873	0.5
234.18440	0.5
236.16396	1.8
248.16475	2.0
249.07790	0.8
259.09625	1.0
260.16476	1.8
261.11191	5.6
262.11835	0.6
262.18149	0.8
271.09592	1.2
272.16296	0.5
276.19595	6.9
277.20029	0.6
292.19232	0.4
298.17795	0.7
300.19562	3.3
314.20981	0.5
327.15869	0.7
328.22601	0.4
342.20630	5.4
343.20911	0.6
346.20023	1.5
346.23721	1.0
356.18475	0.7
356.22229	0.5
369.59857	0.3
374.19537	100.0
374.23401	53.9
375.19894	10.2
375.23721	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	374.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44036	0.8
54.06209	0.9
55.05505	1.5
56.96568	22.0
57.07079	5.4
58.06602	1.7
59.78688	0.8
60.49097	0.7
67.05510	1.2
69.13194	6.0
70.06596	11.7
71.08636	2.4
71.46145	0.8
74.06078	1.2
79.05482	1.0
81.07056	6.9
84.08157	1.6
88.07630	15.0
88.08125	1.3
91.05494	1.2
95.08598	1.2
97.08918	1.4
97.10152	0.8
97.96828	1.0
102.09173	8.7
105.00208	1.2
105.07078	1.3
109.06532	1.2
110.97569	1.4
119.08517	0.9
123.01234	1.8
123.04421	1.1
128.98607	4.5
132.10220	1.6
134.09578	0.8
136.11237	2.0
137.02725	1.3
137.05975	5.0
138.12758	10.8
141.02246	1.0
146.99649	2.2
150.12772	1.1
151.13615	1.5
161.01163	0.8
164.14360	3.6
175.06407	1.1
185.04836	1.6
189.08014	4.0
195.07048	0.9
197.04884	1.0
199.06471	1.6
201.07942	1.4
203.05957	2.1
203.54384	1.0
217.07431	1.0
221.08534	1.4
222.07878	0.9
225.08041	2.9
237.07970	4.5
239.09694	2.4
243.09097	2.4
253.11130	2.0
255.09163	2.5
262.18018	2.1
277.11090	1.0
285.91626	1.0
298.73505	0.9
300.19846	2.1
312.32590	31.4
315.15994	1.1
333.17340	36.4
334.17737	3.0
339.19025	1.2
344.08267	0.9
351.18420	100.0
352.18750	6.5
356.35052	1.7
369.19507	25.5
370.19955	2.9
373.34976	1.2
374.19772	10.4
374.23309	44.2
374.36292	78.3
375.19568	1.4
375.24170	4.1
375.36542	3.2
387.49808	0.9
392.20975	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	374.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94918	1.3
55.05521	1.1
56.96566	26.1
57.07057	1.2
62.47579	1.3
67.01648	1.3
67.05524	2.0
70.06612	1.4
71.45777	1.4
79.05499	1.4
81.07066	11.5
84.08154	3.8
84.96027	1.8
86.50897	1.5
87.04482	2.3
95.08585	2.3
96.08129	2.5
97.96823	4.2
105.07060	1.7
109.06519	4.0
110.09718	4.7
110.97577	9.6
112.34020	1.3
115.95261	1.3
115.97900	2.7
124.99082	1.4
128.98610	14.1
129.09131	4.8
133.98837	1.5
136.11235	5.2
137.02734	1.4
137.05966	8.5
138.12781	25.7
146.99678	8.6
150.12798	2.9
151.13576	3.1
161.01271	2.5
164.14333	7.0
168.10258	1.6
171.03340	1.3
184.69461	1.3
190.05222	2.0
194.00151	1.4
241.11218	1.4
259.12323	2.7
262.17996	6.4
263.09653	4.2
265.11044	1.5
300.19617	2.4
301.23633	3.5
303.12601	1.8
313.14819	1.5
315.16287	48.3
316.16562	2.1
331.15927	2.1
333.17374	95.8
334.17661	6.4
351.18427	36.2
352.18994	2.1
356.18890	17.7
357.19073	1.7
369.19406	2.1
374.15173	2.7
374.23334	100.0
375.23279	7.6
375.27432	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	374.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.7
55.05507	2.1
57.03429	0.6
57.39988	0.6
64.18732	0.6
65.03939	0.8
67.05491	3.1
68.05019	1.3
69.03426	3.7
69.07040	0.8
70.06591	1.1
71.04999	2.3
72.08136	0.7
75.96899	0.6
79.05482	2.6
80.05022	7.0
81.07050	2.6
82.06587	1.4
83.05002	0.8
85.02914	5.4
87.04475	1.3
91.05473	2.6
93.07030	2.1
94.06565	4.8
95.04973	1.3
95.08593	1.2
96.08118	1.4
97.02872	1.5
97.06530	0.8
99.08079	0.7
103.03928	0.7
105.07036	3.4
106.06545	2.3
107.08601	1.4
108.08118	1.5
109.06569	0.7
110.09734	0.8
111.08101	1.2
112.07659	1.0
119.08555	0.9
120.08094	3.5
121.06476	0.9
122.09676	13.2
124.11246	0.9
125.09628	1.1
126.09177	0.7
127.03922	0.8
131.08533	1.2
132.08066	1.2
134.09634	3.7
136.11206	1.1
137.05925	1.1
138.09146	1.2
138.12772	1.1
143.08574	0.8
146.09752	1.0
148.07620	1.2
148.11211	4.0
150.09143	23.8
151.07417	0.7
151.09523	0.6
152.10716	1.4
154.12236	1.0
160.07634	1.6
160.11201	1.2
162.09137	9.3
162.12773	3.0
164.10677	0.8
168.10236	7.2
176.10716	2.0
177.09109	0.9
180.13840	5.8
186.12962	0.8
190.16002	1.5
194.11838	1.0
202.12312	1.3
204.13890	4.7
208.13287	0.7
208.16968	10.7
214.12169	1.1
218.15424	3.1
220.13365	1.7
220.16998	0.9
228.13882	1.6
232.13417	1.1
234.14877	1.9
236.16438	9.2
246.14893	8.9
246.18724	0.7
248.20044	2.2
254.17558	8.3
256.16940	1.5
260.12851	1.1
260.16638	0.9
261.11279	0.9
264.15930	5.7
274.17990	8.6
276.19711	1.2
282.17056	2.2
284.16473	2.0
292.19049	5.1
294.20685	4.7
302.17499	4.0
310.20135	4.3
320.14786	1.0
320.18576	19.4
321.18723	1.3
338.19684	9.1
339.20059	0.9
356.20679	100.0
357.20966	6.9
365.01041	0.8
374.19141	17.8
375.12601	9.6
375.19958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05529	1.3
56.05033	3.2
56.96556	1.1
61.23145	0.7
67.05506	2.9
67.19957	0.6
68.05040	1.8
68.06403	0.6
69.02303	0.6
69.03432	2.2
69.07064	1.0
70.06593	5.9
71.04998	5.3
71.45366	1.1
74.06059	1.2
79.05495	1.8
80.05025	28.6
81.03431	1.5
81.05390	0.9
81.07051	2.1
82.06568	0.8
82.87544	0.7
83.04979	1.1
84.04506	0.8
84.08141	5.6
85.02907	4.0
86.09706	1.4
91.05486	2.2
93.07067	3.6
94.06574	2.1
95.04971	18.2
95.07397	0.8
95.08590	5.5
96.08133	3.8
97.02864	1.0
97.06506	1.8
98.06065	3.9
98.56958	0.8
98.97577	1.6
99.04419	2.0
100.07659	0.8
105.07039	1.9
106.06551	1.0
107.05016	1.0
107.08633	2.0
108.08123	0.8
109.06512	2.0
109.10227	0.8
110.09747	1.0
111.08029	0.8
113.05990	1.1
115.16426	0.6
118.06567	0.9
119.08564	1.8
120.08096	9.4
122.09708	1.2
123.04364	3.0
123.06783	0.9
123.08018	0.7
124.07596	1.0
124.11240	3.3
126.03767	1.8
127.03897	1.3
127.07556	5.3
132.08159	1.1
133.10126	1.2
134.09639	0.9
135.08122	1.1
136.11229	0.9
137.05980	1.7
138.09149	13.1
138.12811	1.6
139.07527	1.1
140.07095	1.0
140.10757	0.9
141.09128	4.3
143.08632	0.8
146.09511	0.9
148.07579	18.2
149.06067	0.9
150.09183	1.2
151.03906	0.8
151.07550	1.1
152.10706	3.5
155.07021	2.1
156.10207	7.2
160.07539	1.0
166.04996	0.7
166.08658	3.4
166.12268	7.0
170.11737	1.6
175.11476	0.7
177.05447	0.8
180.10222	1.6
180.13866	1.3
182.11778	0.9
184.09708	15.0
185.10040	1.1
188.08768	1.5
188.10475	27.0
190.12180	1.0
191.10715	0.7
192.09938	4.9
192.13786	1.7
198.11311	2.1
200.03751	2.1
202.12099	1.4
204.13844	1.2
208.13478	3.4
210.14880	4.8
212.09102	0.9
216.10075	3.0
216.12341	12.9
220.13342	2.1
221.04370	0.8
226.14363	4.5
230.15465	0.8
231.05484	0.8
232.13139	4.8
234.14917	2.6
236.16466	4.3
238.14423	3.0
242.15482	1.0
250.18124	2.5
254.14032	1.9
260.16446	4.3
264.16013	2.0
270.15851	0.7
272.12790	1.0
276.12094	26.1
277.12451	1.1
278.17523	19.8
279.17905	0.9
288.15903	1.7
296.18515	7.8
306.17175	0.7
324.18106	2.7
330.16800	1.1
338.19672	1.3
342.19135	13.6
343.19681	1.5
356.20697	11.1
357.21451	1.0
374.11383	3.3
374.15771	6.1
374.21777	100.0
375.12662	9.9
375.16470	3.1
375.21948	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	374.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26974	0.4
55.05504	0.7
56.96558	0.8
57.03445	0.4
58.64011	0.4
67.05508	3.6
69.03433	2.5
69.77431	0.8
70.06582	0.9
71.04981	2.0
72.08117	0.5
79.05502	0.5
80.05015	2.3
81.07048	2.1
82.06579	0.5
83.04955	0.4
84.08154	1.2
85.06546	0.8
86.09715	1.2
91.05489	1.3
93.07042	1.3
94.06577	1.5
95.04964	17.9
95.08598	0.6
96.05311	0.5
97.06564	0.6
98.05988	0.4
99.04377	0.8
99.08104	0.5
105.07034	1.5
106.06586	0.7
107.08618	0.4
108.08083	0.6
109.10207	0.7
110.06033	0.5
113.06005	3.5
116.07104	0.4
117.03413	0.7
117.05497	0.6
117.07001	0.5
119.08559	1.1
120.08098	2.0
122.09649	0.4
123.04441	2.4
125.09558	0.5
127.07613	0.6
132.08046	0.8
133.10091	0.8
134.09659	1.4
135.04433	1.0
136.07568	1.1
136.11188	0.5
137.05952	0.7
137.09663	0.5
138.09146	0.5
141.05479	1.5
143.08580	0.6
145.02824	1.1
145.08870	0.5
145.10051	0.4
146.06004	1.0
146.09624	0.9
148.07567	2.7
148.11209	1.6
150.09175	1.0
150.12730	0.5
160.07600	0.6
160.11229	1.8
162.09120	0.8
162.12813	0.6
163.03914	5.8
164.04256	0.5
164.10695	0.6
166.12251	0.7
174.09151	1.7
174.12848	0.6
176.10660	1.1
177.05437	0.9
178.12270	8.1
180.13829	0.9
182.15352	0.5
185.01192	0.4
186.12895	0.4
188.10703	0.5
188.14360	1.6
190.12250	0.9
192.13792	0.6
194.15359	0.6
196.13358	1.2
198.14851	0.4
200.10663	0.6
204.13901	2.2
206.15433	2.0
210.14940	0.8
214.12207	0.5
216.13812	2.2
218.15340	0.7
222.14868	5.1
228.15961	0.5
234.14885	24.4
235.15253	1.0
236.16362	2.1
246.14922	0.8
248.16479	1.1
250.18045	1.9
252.15910	4.4
253.16512	0.5
255.01776	0.6
258.18570	0.7
264.15985	0.9
264.19717	1.2
270.17001	1.4
274.18073	3.7
275.18283	0.4
282.16910	1.1
284.16339	0.8
292.19064	9.6
293.19528	0.7
300.18094	1.2
302.17529	0.9
310.20111	5.2
320.18573	2.5
328.21136	8.5
338.19485	3.1
356.20663	16.4
356.25098	0.8
357.20929	1.0
374.21719	100.0
375.12497	1.6
375.22040	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	374.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42788	0.4
53.00702	0.4
53.66069	0.3
55.01858	1.3
56.05028	0.6
57.03428	0.9
67.05496	0.8
69.03409	1.0
69.07055	1.7
70.06583	1.5
70.14429	0.7
72.08144	0.6
76.48306	0.4
79.05486	1.5
80.05009	1.4
81.07056	0.8
82.06567	0.4
84.08132	1.6
85.02896	4.2
86.09699	1.5
93.07040	0.6
94.06557	1.5
95.04987	0.6
95.08591	0.5
95.09149	0.5
96.08122	1.2
97.06513	2.2
103.03956	0.9
110.09686	1.2
111.08085	0.6
112.11260	0.8
114.09229	0.7
115.07586	1.9
117.92959	0.3
120.08115	0.7
122.09690	2.2
123.01533	0.4
124.11242	3.6
125.05990	2.6
125.09622	0.6
129.10207	0.6
134.09659	1.2
136.11206	4.0
137.12013	0.6
138.09116	0.5
142.08566	0.4
142.74040	0.4
148.07532	0.8
148.11154	1.6
150.09171	3.6
151.03914	1.9
152.10716	0.9
162.12761	2.8
168.10194	2.1
170.11752	1.1
176.10623	0.5
177.05493	0.6
178.12265	0.6
180.13879	0.6
182.15436	0.6
188.14302	0.5
190.12241	0.8
190.15913	0.6
194.11838	0.5
195.06419	0.6
208.13318	2.9
208.17007	1.3
212.09213	0.4
218.15427	0.7
234.14719	0.6
236.16412	4.9
246.14899	0.6
252.15822	0.5
254.17519	7.1
264.15930	2.3
274.18036	0.5
282.17014	13.5
283.17245	0.8
294.20654	1.3
300.18048	22.8
301.18344	1.7
301.64896	0.4
302.17526	0.5
310.20184	0.9
312.21692	1.8
320.18597	1.3
338.19662	3.5
356.20636	10.2
357.20953	0.7
364.62811	0.4
368.19559	0.4
374.21713	100.0
375.12564	1.2
375.22037	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	374.2176
Annotation	Pseudoargiopinin III
Peak:m/z	Relative Intensity
50.86520	0.6
51.51142	0.6
55.05514	0.8
60.56511	0.5
67.05503	3.2
67.73667	0.6
68.05009	0.6
69.03440	3.7
69.38795	1.0
69.39185	1.6
70.06590	0.9
71.04982	2.0
72.99397	0.6
79.05493	0.5
80.05020	4.6
81.07059	2.3
82.06559	0.6
85.02909	1.4
89.61166	0.5
91.05495	1.0
92.75270	0.5
93.07051	1.1
94.06574	2.5
95.04969	17.6
95.08566	0.6
97.06552	1.2
99.04486	0.9
101.06049	0.7
105.07085	0.9
106.06554	0.8
107.08601	0.9
108.08122	1.0
109.06510	0.8
109.10138	1.2
119.08599	0.6
120.08111	3.2
122.06041	0.7
122.09634	0.7
123.04481	0.8
123.08053	0.6
124.07578	1.2
132.08090	1.9
133.10147	0.6
134.09630	2.6
136.07599	1.3
137.05959	0.9
138.09140	1.1
145.02872	1.4
146.06075	0.6
146.09650	2.7
148.07605	3.8
148.11212	1.9
150.09082	1.0
160.07549	0.7
160.11195	3.0
161.08394	0.6
161.09615	1.1
162.09148	1.8
162.12747	0.7
164.10652	0.9
166.12207	0.7
174.09143	3.0
176.10716	0.8
177.05498	4.9
178.12286	21.0
179.12534	1.1
188.10721	1.1
188.14374	1.8
195.06558	1.9
196.13275	0.8
198.12921	0.6
198.14932	0.8
204.13849	1.6
206.15355	3.5
214.12216	0.7
216.13879	5.6
218.15363	0.9
222.14894	5.6
234.14880	50.6
235.15202	2.3
236.16402	1.6
240.16006	2.2
245.10994	0.6
246.14896	1.6
250.18111	1.4
252.15961	13.1
256.16934	1.2
257.98669	0.6
258.18594	2.0
258.69043	0.6
264.19696	1.8
268.19153	1.3
270.14105	0.6
270.17010	2.2
274.18063	5.3
284.16501	1.7
292.19031	12.5
293.19266	0.7
302.17474	2.3
310.20120	27.5
311.20404	2.1
320.18542	4.0
328.20892	2.7
338.19626	9.0
348.95685	0.6
356.20673	100.0
357.20966	8.7
374.21945	18.9
375.22107	1.4
396.35370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05175	0.5
55.05507	0.9
56.05026	0.8
57.03436	0.7
59.89840	0.6
65.37531	0.6
67.05496	2.0
68.05024	0.9
69.03428	3.9
69.07066	0.8
69.54914	2.6
70.06242	0.6
70.06587	3.7
71.04990	3.2
72.08141	1.9
79.05492	1.6
80.05019	4.2
81.07059	2.7
82.06570	1.1
84.04517	1.3
84.08141	4.8
85.02905	1.9
85.06543	0.8
85.08493	0.6
86.09711	5.3
91.05469	1.7
93.07049	2.0
94.06557	2.3
95.04971	16.1
95.08605	1.1
97.06541	1.6
98.06036	0.9
99.04437	1.0
105.03390	7.5
105.07020	1.6
106.03733	4.8
107.08585	1.2
108.08100	1.4
109.06519	1.2
109.10168	1.2
110.06030	1.1
110.07140	0.8
116.57323	0.5
119.08518	0.9
120.08107	3.7
122.06035	1.2
123.04429	3.0
123.08054	0.9
124.04797	0.6
129.10295	3.0
130.05023	1.3
130.10616	1.1
131.08536	0.6
132.08092	2.2
133.10092	1.2
134.09650	2.4
136.07571	1.9
137.06006	1.3
137.09612	1.2
138.09175	1.5
143.08528	0.6
144.07977	0.7
145.02876	1.0
146.05997	1.5
146.09628	1.7
147.06427	1.2
147.07640	1.4
148.07600	3.7
148.11221	1.9
149.05911	1.1
150.09140	2.3
154.12270	1.2
160.11230	2.4
161.09615	1.2
162.09117	2.4
162.12746	0.7
163.03868	1.0
164.10730	1.0
166.08626	0.8
166.12268	0.9
172.11302	0.7
174.09142	2.8
174.12753	0.9
177.05464	3.2
178.12262	15.4
179.07014	2.2
180.07344	2.8
186.12788	0.7
188.14378	2.5
190.12257	0.9
192.13780	0.7
193.05141	0.8
194.08238	4.4
194.15427	0.9
195.06543	1.9
196.09666	0.7
196.13364	1.2
197.07985	0.7
198.08382	0.6
198.12868	0.5
198.14914	0.9
200.10672	1.0
204.13789	1.4
206.15358	2.8
207.06535	0.7
214.12199	0.8
216.13860	6.2
218.15471	0.9
222.07605	5.1
222.14891	5.1
224.16481	0.7
234.14890	43.1
235.15221	2.5
236.16493	2.6
240.15999	1.9
246.15060	1.3
250.14427	0.9
250.18094	1.5
252.15929	15.6
253.16240	0.8
256.16779	0.6
258.18506	1.7
262.24973	0.6
264.19675	1.0
268.19186	1.0
270.17041	2.1
274.17972	5.2
280.94629	0.6
282.16858	0.9
284.16611	1.3
292.19061	12.7
298.84866	0.5
302.17471	2.1
302.38647	0.5
310.20120	25.3
311.20532	2.2
312.18158	0.6
320.18634	4.1
328.21115	4.9
330.18961	1.7
338.19620	9.5
339.20319	0.7
356.20660	100.0
357.20950	7.1
374.11514	4.0
374.22351	18.2
374.28430	0.8
375.07950	1.0
375.12393	5.5
375.22586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
56.05023	2.8
57.03430	0.7
67.05502	2.3
68.05033	1.7
69.03425	0.9
69.41494	1.7
69.41870	1.5
70.06593	4.1
71.04999	5.2
74.06068	1.1
79.05490	2.5
80.05019	27.0
81.07051	2.8
82.06589	1.1
83.04977	0.9
84.08129	2.0
85.02889	2.0
91.05460	2.2
93.05776	1.0
93.07038	2.9
94.06570	2.4
95.04969	16.7
95.08608	4.6
96.08138	3.9
97.02856	0.7
97.06535	1.9
98.06073	4.3
99.04457	1.3
102.27953	0.7
105.07024	2.3
107.04961	0.7
107.08605	1.9
108.08112	1.0
108.69347	0.7
109.06515	1.7
110.09676	1.1
111.08020	0.9
113.05948	1.0
119.08580	1.9
120.08103	7.3
121.06489	1.3
122.06019	1.0
122.09664	1.1
123.04423	2.2
123.08084	0.9
124.07626	1.2
127.07556	6.4
131.07083	0.7
131.08534	0.9
133.10144	0.7
136.07529	0.9
137.05980	1.3
138.09142	15.3
138.12776	2.8
145.10120	1.0
146.09607	0.7
147.08032	0.8
148.06451	1.3
148.07570	18.3
149.06010	0.8
150.09203	0.7
151.03839	0.7
152.10716	1.2
155.07016	1.9
156.10229	7.7
160.11201	0.9
162.09180	0.8
164.14375	0.9
166.08653	2.5
166.12265	2.9
167.06975	0.9
170.11740	0.9
174.12816	0.9
177.05464	2.4
180.10237	1.7
184.09714	15.0
184.11229	0.6
185.09959	0.9
188.10487	8.5
192.09964	1.1
192.13844	1.7
198.11255	3.2
202.12090	1.2
208.13329	3.4
210.14705	1.3
216.10216	1.4
216.12294	11.9
220.13304	2.7
226.14394	1.9
230.15326	1.2
232.13051	1.1
232.17296	0.8
234.14948	2.4
236.16441	5.6
238.14352	2.7
250.18071	2.1
256.15149	0.9
260.16339	3.6
264.15915	2.1
270.14972	1.1
276.12048	9.2
278.17505	20.6
279.17947	1.1
288.15976	1.7
296.18597	8.9
306.17050	0.8
320.18344	1.1
324.18073	3.2
338.19641	2.3
342.19089	14.0
343.19537	1.7
356.20602	9.3
374.21744	100.0
375.12680	4.6
375.16971	1.4
375.22052	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	374.2328
Annotation	Methoxypolysignine
Peak:m/z	Relative Intensity
55.05503	0.4
56.05022	0.8
67.05499	0.9
69.03423	0.8
69.86904	0.5
69.87236	0.3
70.06572	0.9
70.14395	0.2
79.05493	2.3
81.07056	13.4
82.06580	0.9
82.07370	0.3
83.07326	0.2
84.07668	0.3
84.08143	4.3
85.62327	0.2
90.64702	0.2
91.05482	0.5
93.07045	1.9
94.06549	0.3
95.07307	0.2
95.08599	1.3
96.08137	2.0
97.08916	2.3
98.09682	0.4
99.58767	0.2
107.08611	0.3
108.08143	0.5
109.06515	3.9
109.08939	0.4
110.08971	0.3
110.09682	4.2
111.04429	0.2
111.08066	0.3
119.08560	0.3
120.08107	0.3
121.10147	0.9
122.09669	1.0
123.04459	0.4
123.10449	0.5
124.11222	0.3
134.09624	0.6
136.11215	6.4
137.05975	10.5
137.11964	0.5
138.06334	0.3
138.12775	30.5
139.13126	0.8
148.11198	0.5
150.09215	0.4
150.12769	3.4
151.13562	4.0
162.12785	1.0
163.13535	0.4
164.14349	8.3
165.14732	0.3
168.10254	0.3
174.12819	0.3
176.14339	0.9
182.11787	0.7
190.15862	0.3
192.17513	1.0
194.11784	0.6
208.13293	0.3
222.15002	0.6
234.14876	0.4
236.16432	1.4
237.17128	0.3
238.18042	0.6
262.18027	6.2
286.17642	0.2
300.19574	3.8
309.31134	0.2
310.21600	0.4
328.22778	0.3
346.23926	0.5
356.22095	0.8
374.23245	100.0
375.23578	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2327
Annotation	Methoxypolysignine
Peak:m/z	Relative Intensity
52.64833	0.3
55.01869	0.4
55.05514	0.5
56.05031	0.9
63.49752	0.3
66.45061	0.2
67.05508	1.2
68.83145	0.3
69.03429	1.0
69.48705	1.2
70.06582	1.0
79.05494	2.5
81.07058	10.7
82.06579	1.1
84.07668	0.4
84.08138	4.5
91.05489	0.9
93.07041	2.3
94.06597	0.4
95.08607	2.1
96.08111	1.9
97.06518	0.4
97.08904	2.0
105.07026	0.7
107.08569	0.8
108.08105	0.6
109.06503	3.4
109.10194	0.3
110.09671	3.4
111.04491	0.6
117.06978	0.3
119.08577	0.6
119.93060	0.3
120.08057	0.3
121.06487	0.4
121.10137	1.2
122.09642	0.8
123.04428	0.8
123.10438	0.5
124.11272	0.6
125.71474	0.3
129.07034	0.4
133.10112	0.4
134.09682	0.8
135.08064	0.3
136.11212	5.4
137.05977	9.0
137.11954	0.5
138.12776	23.2
139.07527	0.4
139.13074	0.5
140.06918	0.3
145.10156	0.6
148.11218	0.8
150.09169	1.2
150.12808	2.3
151.07658	0.4
151.13562	2.9
159.08055	0.3
159.11696	0.5
161.13306	0.6
162.12810	1.2
164.14348	6.0
168.10274	0.6
171.53467	0.3
176.14264	0.4
179.87070	0.3
182.11772	0.7
184.13313	0.5
184.63507	0.3
188.14365	0.4
190.15907	0.4
192.17403	0.5
196.13332	0.4
208.13257	0.4
217.18719	0.4
222.14915	0.9
236.16463	1.4
238.18036	0.5
262.18015	4.6
276.19559	0.7
297.71506	0.3
300.19577	3.1
356.22037	0.8
366.97162	0.3
374.23251	100.0
375.23581	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	374.233
Annotation	Methoxypolysignine
Peak:m/z	Relative Intensity
51.13358	0.2
51.58404	0.1
53.03937	0.2
55.01874	1.0
55.05506	0.7
56.05029	0.8
57.03429	0.2
61.02923	0.5
65.03940	0.2
67.05500	1.8
68.05840	0.4
68.99792	0.3
69.03425	2.7
69.07050	0.5
69.41179	0.6
70.06591	0.8
71.04988	0.4
73.02899	0.4
79.05489	2.8
80.05022	0.5
81.03426	1.4
81.07058	13.2
82.06583	1.2
82.07381	0.3
83.04944	0.2
83.07359	0.7
83.08591	0.2
84.07707	0.2
84.08142	4.3
85.02906	3.8
85.06528	0.2
86.09724	0.2
87.00835	1.5
91.05492	1.3
93.07053	2.8
94.06595	0.8
94.07350	0.4
95.04955	0.6
95.08615	2.3
96.08122	2.1
96.08946	0.4
97.02892	1.8
97.06542	0.4
97.08407	0.2
97.08923	2.0
98.06021	0.3
98.09682	0.2
98.23467	0.4
99.04445	0.7
99.08104	0.3
100.07617	0.2
102.16134	0.2
105.01874	1.3
105.07040	1.2
106.06570	0.3
107.04964	0.3
107.08598	1.0
108.04491	0.3
108.08114	0.7
108.08838	0.2
109.02873	1.3
109.06522	3.7
109.08902	0.3
109.10159	2.0
110.06800	0.2
110.09679	3.8
110.10478	0.8
111.04491	0.2
111.08094	0.6
111.10485	0.3
117.06960	0.2
119.08598	1.3
120.08109	0.6
120.08894	0.4
121.06528	0.4
121.10152	1.4
122.09664	1.4
123.04417	0.4
123.08073	0.4
123.10488	0.4
123.11730	0.3
124.11246	0.6
125.05976	0.4
126.05490	0.2
127.03919	3.6
128.06136	0.2
128.46045	0.2
128.73872	0.2
129.06993	0.3
131.08597	0.6
133.06487	0.3
133.10107	0.9
134.09634	0.6
134.10413	0.4
135.08083	0.3
135.10681	0.2
135.11699	1.3
136.11200	8.4
136.12059	0.8
137.05980	9.8
137.09560	0.3
137.11816	0.4
137.12036	0.4
138.06325	0.5
138.12776	28.0
139.07579	0.3
139.13078	1.0
143.08548	0.2
145.04962	1.9
145.10103	0.3
147.02892	0.2
147.08058	0.4
147.11652	0.3
148.11215	0.6
149.06023	0.2
149.09642	0.4
150.09125	0.5
150.12762	3.0
151.13577	3.0
152.10663	0.4
159.02908	1.2
159.08076	0.3
159.11766	0.2
160.11188	0.3
161.09673	0.2
161.96318	0.2
162.12776	1.4
163.13411	0.2
164.10745	0.2
164.14366	5.9
167.07117	0.3
167.08536	0.2
168.10225	0.5
174.12825	0.5
175.07553	0.3
175.14816	0.5
176.10715	0.2
176.14203	0.3
176.15274	0.4
177.09114	0.2
177.16408	0.4
178.15924	1.3
180.10060	0.2
180.13838	0.4
181.11043	0.2
181.14189	0.5
182.11754	0.7
188.10493	0.2
188.14276	0.4
189.09198	0.2
190.15926	0.5
192.17511	0.8
193.15884	0.4
194.11732	0.5
194.16248	1.1
196.13435	0.2
202.15817	0.3
208.13350	0.3
211.16907	0.8
212.17343	1.0
216.13718	0.3
220.13330	0.4
222.14809	0.6
231.04951	0.9
234.14871	0.7
235.15686	0.3
236.16396	1.5
237.17291	0.3
238.18217	0.4
247.09561	0.3
248.16425	0.6
248.20190	0.2
258.18338	0.2
260.16531	0.3
262.18030	4.7
263.18460	0.4
274.17902	0.4
275.18347	0.2
276.19586	4.7
277.20117	0.3
286.18109	0.3
300.19531	2.5
301.19888	0.3
328.22736	0.5
330.16812	0.2
331.17178	0.9
346.20078	0.2
346.23907	0.5
346.40070	0.2
356.22244	0.8
373.70807	0.4
374.19766	4.6
374.23276	100.0
375.12515	0.3
375.19629	0.6
375.23633	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	374.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05510	0.6
56.05029	0.6
57.34750	0.3
67.05493	3.4
69.03423	1.9
69.50757	1.0
70.06588	1.3
79.05496	3.2
81.07059	10.9
82.06562	0.8
84.08145	3.0
88.48553	0.3
91.05476	1.9
93.07047	2.4
94.06552	0.5
95.04974	1.1
95.08601	7.7
96.08135	4.2
97.02904	1.0
97.08918	1.1
105.07023	1.2
107.08599	3.7
108.08177	0.5
109.06519	3.5
109.08902	0.6
110.09674	3.3
111.04445	1.1
115.05423	0.5
117.07005	0.5
119.08601	0.4
121.06483	0.5
121.10105	0.4
122.09645	1.7
123.03525	0.6
123.04427	10.3
124.11243	3.2
125.09629	0.6
131.08565	1.0
134.09634	0.6
135.08063	3.0
136.11205	3.4
137.05971	9.9
137.11995	0.5
138.12776	16.1
139.13101	0.9
148.11208	0.5
148.13576	0.4
149.05887	0.6
150.09183	0.5
150.12769	1.7
151.13556	1.5
152.10687	3.1
152.95729	0.4
159.11732	0.6
162.12811	0.7
163.07564	0.5
164.14346	3.5
168.10181	0.8
170.11768	1.1
174.12756	0.4
182.11800	1.0
222.14944	0.5
236.16437	0.9
262.18024	2.6
264.19522	0.4
283.51035	0.4
300.19577	6.9
316.68625	0.3
346.23672	0.4
356.22070	0.5
374.23248	100.0
375.23584	11.7
394.50742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05512	0.8
56.05040	0.5
67.05508	2.7
68.05028	0.3
69.03426	1.7
70.06606	1.0
70.95791	0.4
70.96114	0.3
75.09499	0.3
75.40971	0.3
79.05494	2.6
81.07058	8.6
82.06583	0.6
84.08145	2.3
87.05566	0.3
88.48993	0.3
91.05499	1.9
93.07056	2.2
94.06570	0.6
94.83202	0.3
95.04967	0.7
95.08610	6.6
96.08137	3.7
97.02896	1.1
97.08910	1.2
98.09711	0.3
105.07043	0.8
107.08590	2.9
108.08109	0.6
109.06524	3.2
109.08941	0.5
110.09692	2.9
111.04450	1.0
117.07029	0.9
120.08097	0.5
121.06535	0.4
121.10141	0.5
122.09672	1.4
123.04432	7.5
123.10411	0.7
124.11231	3.0
125.09631	0.4
131.08582	0.9
134.09656	0.5
135.08029	1.9
136.11220	3.2
137.05974	9.0
138.06294	0.4
138.12784	12.7
139.13133	0.6
144.09334	0.5
148.11307	0.4
149.05977	0.5
150.09184	0.4
150.12788	1.6
151.13583	1.9
152.10710	2.2
159.11679	1.0
160.11107	0.3
162.12784	0.5
164.14368	4.1
168.10199	0.8
170.11784	1.0
176.14392	0.5
182.11743	1.8
184.13379	0.4
205.12242	0.4
208.13303	0.3
227.90329	0.3
234.14806	0.4
236.16469	0.5
262.18036	2.4
274.17972	0.3
286.17969	0.5
300.19577	6.4
328.22690	0.4
346.23996	0.5
356.22278	0.5
374.23264	100.0
375.23596	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	374.2328
Annotation	Methoxypolysignine
Peak:m/z	Relative Intensity
56.05037	1.0
67.05488	0.8
69.03428	1.0
70.06626	1.8
79.05500	3.5
81.03394	0.4
81.07059	16.3
82.06578	1.2
82.07366	0.5
84.08147	4.3
88.66047	0.3
90.56369	0.3
91.05450	0.7
93.07028	2.0
94.06562	0.8
95.04942	0.5
95.08610	1.6
96.08131	2.3
97.08910	3.0
98.09674	0.6
105.38502	0.3
108.08151	0.6
109.06525	5.1
110.09686	4.8
121.10117	1.0
122.09670	1.0
124.11243	0.8
134.09695	0.5
136.11220	7.9
136.21339	0.3
137.05983	17.3
137.12079	0.5
138.12781	37.2
139.13098	1.3
147.08102	0.4
150.09100	0.4
150.12767	4.0
151.03868	1.2
151.13560	4.2
152.91447	0.3
162.12785	0.6
163.00391	0.4
164.14359	6.7
176.14378	0.4
178.15926	0.4
182.11838	0.6
192.17506	0.9
194.11841	0.8
203.07240	0.5
205.08900	0.4
208.13290	0.4
216.23471	0.3
222.14874	0.7
234.14748	0.4
236.16441	1.4
238.17975	1.1
248.16505	0.4
262.17987	1.9
276.19498	1.7
300.19543	1.4
328.23074	0.4
374.23267	100.0
375.23636	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2326
Annotation	Methoxypolysignine
Peak:m/z	Relative Intensity
51.08699	0.3
55.05513	0.4
56.05030	1.1
67.05489	0.8
69.03432	0.8
69.62885	0.7
69.63279	0.8
70.06597	0.9
79.05494	3.0
80.04996	0.4
81.07059	13.6
82.06586	0.8
82.07396	0.4
83.07362	0.5
84.08147	4.3
91.05495	0.9
93.07031	2.9
95.08604	1.7
96.08118	2.2
97.06546	0.5
97.08933	1.9
98.09722	0.5
98.22742	0.6
105.07040	0.5
107.08623	0.6
108.08131	0.4
109.06510	3.9
110.09687	3.9
119.08591	0.4
121.10139	1.2
122.09659	0.9
123.04437	0.5
123.10451	0.4
124.11284	0.4
134.09669	0.5
136.11220	6.2
137.05981	11.5
138.12776	33.1
139.13144	1.0
144.44328	0.4
148.11232	0.5
150.09241	0.3
150.12784	2.9
151.13545	3.2
162.12764	0.6
163.13547	0.5
164.14343	6.2
164.34843	0.3
165.14821	0.4
175.21681	0.3
176.14372	0.6
178.15999	0.4
182.11766	1.1
190.15933	0.5
192.17532	0.5
194.11710	0.5
207.23476	0.4
215.37926	0.5
218.15303	0.4
222.14894	0.8
234.14920	0.4
236.16440	1.5
237.17195	0.5
238.18037	0.5
247.09593	0.5
248.20695	0.3
262.18018	3.9
264.19962	0.4
274.17923	0.4
276.19601	3.2
300.19632	2.9
326.55017	0.4
330.38586	0.4
340.28357	0.3
356.22220	0.7
374.23285	100.0
375.23599	8.7
375.28162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2329
Annotation	Methoxypolysignine
Peak:m/z	Relative Intensity
50.65655	0.3
54.95729	0.3
55.01866	0.4
59.60155	0.3
67.05507	0.4
69.97031	0.5
69.97392	0.7
76.80306	0.3
80.05006	0.3
82.06563	0.3
93.07044	0.3
94.06566	0.9
98.23380	0.6
99.04443	0.3
103.22324	0.3
105.07016	0.7
108.08147	0.6
119.08553	0.5
120.08139	0.3
122.09670	1.3
134.09650	0.9
136.11221	41.8
137.11517	1.4
139.07590	1.4
148.11191	0.8
150.12833	0.4
160.11266	0.3
162.12836	1.9
168.10225	0.5
174.12746	0.6
175.11214	0.3
176.14374	1.9
177.15182	0.3
178.15930	8.4
179.16357	0.6
182.11784	0.9
188.14366	0.7
190.15910	1.2
190.60950	0.3
202.15877	0.3
204.17549	0.6
220.13406	0.6
222.14813	0.4
234.14941	2.2
235.15660	1.3
236.16428	2.2
246.14844	0.8
248.16490	5.0
249.16872	0.7
253.90953	0.3
262.18024	1.9
272.16458	0.6
276.19592	27.9
277.19937	2.6
300.19693	0.6
342.20590	0.6
346.23724	0.4
356.22217	0.3
363.55466	0.3
374.23267	100.0
375.23611	10.3
375.27280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2323
Annotation	Methoxypolysignine
Peak:m/z	Relative Intensity
51.02362	0.2
55.01875	0.3
55.05514	0.2
57.03434	0.4
59.71070	0.2
67.05499	0.4
69.03420	0.4
69.23871	1.2
70.06593	0.3
71.04982	0.4
77.03929	0.4
79.02231	0.2
79.05501	0.5
80.05004	0.4
81.07044	0.5
83.01352	0.3
83.34652	0.2
84.08115	0.5
85.02926	0.3
86.03204	0.3
91.05476	0.6
93.07047	0.9
94.06572	0.8
95.01349	0.2
95.04966	0.6
96.01638	0.2
96.05287	0.3
96.08112	0.5
97.02872	0.3
99.04469	0.4
105.03388	10.3
105.07015	1.1
106.03728	7.1
106.04826	0.3
107.08603	0.4
108.08129	0.6
109.06496	0.3
110.09684	0.2
117.07028	0.2
119.08567	1.5
120.08102	0.3
121.06529	0.5
121.10106	0.3
122.09678	1.3
129.06979	0.2
130.06512	0.2
130.89828	0.2
131.08542	0.2
132.08067	0.2
134.09633	0.6
136.11211	38.8
137.11526	2.2
138.12766	0.5
139.06612	0.2
139.07523	1.5
141.01828	0.7
141.40276	0.2
142.02206	0.3
145.10110	0.3
146.09688	0.2
147.08078	0.3
147.10574	0.2
147.11632	1.2
148.11217	0.8
150.09203	0.2
150.12788	1.1
152.10760	0.3
157.10143	0.3
159.11798	0.2
160.11197	0.5
162.12799	1.7
168.10239	0.3
173.09619	0.3
174.12875	0.2
175.11201	1.7
176.10602	0.2
176.14348	1.9
178.15906	10.1
179.07014	1.8
179.16341	0.9
180.07368	2.4
182.11772	2.5
188.14381	0.4
190.15903	0.9
197.08113	0.7
198.08464	1.2
200.14464	0.2
202.15916	0.4
204.13867	0.3
204.17517	0.6
206.11771	0.4
207.13820	0.8
208.13251	0.5
216.13808	0.3
218.19069	0.3
220.13315	1.0
222.14914	0.3
234.14871	2.7
235.15576	1.6
236.16426	2.9
237.16664	0.3
246.14937	0.6
248.16460	7.4
249.16985	0.4
261.11353	0.3
262.18048	2.2
272.16498	0.5
276.19577	15.6
277.19855	1.2
300.19571	0.5
342.20526	1.7
343.21271	0.2
345.19345	0.3
346.23657	0.5
374.19867	4.5
374.23279	100.0
375.23621	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	374.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01870	0.3
55.05509	0.5
56.05032	0.8
56.65341	0.2
61.80194	0.2
65.03942	0.2
67.05495	1.6
68.05007	0.3
69.03438	1.2
69.07051	0.5
69.24812	1.0
70.06584	1.0
72.43113	0.2
74.52994	0.2
79.05499	2.6
80.05017	0.3
81.07057	11.1
82.06581	0.8
82.07401	0.4
83.04968	0.3
83.07360	0.4
83.08589	0.2
84.08141	3.5
85.02893	0.7
87.20303	0.2
91.05489	0.7
91.50237	0.2
93.07035	2.1
94.06580	0.6
95.04956	0.4
95.08613	1.6
96.08144	2.0
96.08710	0.2
96.08930	0.2
97.02880	0.3
97.08916	1.9
98.22688	0.4
105.07018	0.6
106.06629	0.2
107.08599	1.2
108.08128	0.7
109.06512	3.0
109.08923	0.3
109.10167	1.4
110.09705	3.5
110.10463	0.6
111.08130	0.3
117.06994	0.5
119.08607	0.7
120.08126	0.6
120.08942	0.3
121.06524	0.4
121.10136	1.5
122.09639	1.5
122.10461	0.2
123.04380	0.3
123.10471	0.3
124.11229	0.6
127.03918	0.5
131.08583	0.6
133.10088	0.4
134.09612	0.5
135.11731	0.9
136.11198	7.1
137.05978	9.2
137.11482	0.5
138.12776	24.7
139.13120	1.1
145.10172	0.3
147.08116	0.3
147.11623	0.3
148.03925	1.8
148.11298	0.6
149.09624	0.3
150.09163	0.6
150.12775	3.3
151.13564	2.5
160.11122	0.3
162.11620	0.2
162.12729	1.2
163.13663	0.3
164.10672	0.3
164.14352	6.1
166.04935	0.3
166.08592	0.3
172.03886	0.4
173.05940	0.3
174.12752	0.5
175.14909	0.3
176.10765	0.4
176.15282	0.3
177.16449	1.2
177.17734	0.2
178.15921	0.9
180.13733	0.3
182.11812	0.9
188.14442	0.3
190.15868	0.4
192.17572	0.7
193.15900	0.4
194.11803	0.5
194.16214	0.6
195.17374	0.3
196.13293	0.4
202.05849	0.5
204.06602	0.6
204.13736	0.3
211.16884	0.4
212.17287	0.7
213.18465	0.4
220.13391	0.4
222.14821	0.6
234.14827	0.5
235.15541	0.3
236.16486	1.6
238.18114	0.5
248.16397	0.4
260.16470	0.3
262.18027	4.2
263.18478	0.3
274.17975	0.5
276.19559	3.5
277.20215	0.3
283.10815	0.3
300.19586	2.7
301.11728	1.1
328.22583	0.4
331.17395	0.5
343.13052	0.4
346.23846	0.4
356.22189	0.5
374.23273	100.0
375.23596	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	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01863	11.2
55.05511	43.3
57.03438	9.1
67.05504	94.9
69.07083	42.6
69.20816	14.5
69.21233	25.3
69.89632	6.1
71.04997	82.1
75.73643	7.2
78.66180	7.5
79.05489	57.3
81.07054	100.0
82.27951	7.6
83.04980	13.5
83.08621	26.9
85.06518	10.3
87.04472	8.1
91.05465	57.2
93.07039	84.2
95.04974	20.3
95.08607	58.0
96.08133	6.9
97.06516	28.3
97.10155	27.4
105.07014	47.4
107.04917	7.6
107.08609	77.0
109.06555	15.5
109.10156	62.7
111.08091	13.4
113.09653	8.5
117.07002	21.5
119.08614	41.9
121.10149	38.1
123.08060	10.6
125.09636	27.0
131.08575	36.5
133.10130	40.6
135.08046	9.8
135.11658	16.6
137.09610	14.5
138.12784	7.1
141.37665	7.0
145.10081	24.8
147.11678	26.8
149.09653	23.2
149.13213	17.7
155.10699	14.3
159.11737	24.7
165.12720	10.5
173.11746	66.3
173.13138	11.0
177.12758	24.7
187.13326	57.2
195.13794	27.4
203.12802	31.1
213.14807	11.7
219.44051	8.4
227.16365	31.4
241.17996	30.0
249.18521	18.7
257.19064	14.4
275.20111	74.7
281.21085	10.1
289.21515	17.6
300.18643	9.5
307.22668	18.8
315.30185	6.6
321.24213	9.5
374.23059	68.1
374.32504	11.2
375.23523	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	374.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42581	4.1
55.01859	5.4
55.05509	34.6
59.04989	4.9
67.05164	4.8
67.05505	71.8
69.07065	25.5
70.16589	9.0
71.04992	100.0
72.67917	3.6
79.05493	59.5
81.07065	66.9
82.69115	4.6
83.08608	15.9
85.06543	8.0
91.05488	33.4
93.07042	54.6
95.04946	6.4
95.08617	35.4
97.06520	17.3
97.10162	26.4
99.08041	5.6
102.98973	4.4
105.07035	25.9
107.08598	69.0
109.10160	51.0
111.08121	8.2
115.18421	4.3
116.91483	4.7
117.07078	9.1
118.47744	4.9
119.08625	20.7
121.06499	9.1
121.10186	25.9
125.09636	22.9
131.08580	17.5
133.10135	18.6
135.08005	9.8
135.11694	20.1
137.09581	5.0
138.12744	8.4
145.10100	11.1
147.11702	13.1
149.09627	5.7
149.13281	13.1
152.10533	4.7
153.09108	5.8
153.12694	5.7
155.10660	11.9
159.11656	27.1
161.13258	5.8
163.11127	6.8
173.11746	53.2
177.12773	21.8
178.13226	4.4
187.13295	56.1
194.21446	4.4
195.13890	4.6
203.12781	27.5
209.15352	18.9
239.17969	8.1
241.18001	53.9
257.18942	12.9
275.20096	48.7
289.21591	16.6
307.22592	13.1
321.24164	7.3
328.22198	5.0
374.13074	6.3
374.23096	62.1
374.32059	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	374.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77480	0.3
55.05506	1.7
57.07078	7.8
58.06602	2.0
69.07058	0.5
69.82783	0.9
70.06594	16.2
71.06912	0.3
71.08634	3.2
72.04517	0.8
72.08157	0.6
75.41257	0.3
81.07057	0.8
82.33707	0.3
83.05000	0.3
83.08614	2.0
84.08115	0.4
85.10178	1.7
86.09699	0.4
88.07632	21.7
90.05540	0.4
95.08595	0.4
102.09182	13.8
105.07037	0.3
107.08542	0.3
114.09190	0.4
132.06548	0.8
132.10219	1.0
136.11197	0.4
138.12785	0.4
146.11771	0.6
150.11220	1.0
193.12279	0.5
211.13304	1.2
215.15976	0.3
268.30084	0.9
286.30978	0.4
293.21021	0.4
303.16550	0.3
312.32596	38.9
313.32880	2.8
340.88077	0.3
356.31467	0.5
356.35159	2.8
374.36304	100.0
375.36649	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	375.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25169	0.3
69.03453	0.3
69.45840	1.1
85.02892	0.5
86.09703	0.8
89.36929	0.3
98.23468	0.7
107.08592	0.6
117.04028	0.3
121.02842	0.6
129.99576	1.1
132.21053	0.3
133.10146	0.4
137.04573	0.3
171.05000	0.6
182.32582	0.3
188.03792	0.5
195.10266	0.3
213.11284	1.0
221.05078	0.4
255.11887	0.3
261.09512	6.6
279.09332	1.2
297.15997	0.3
299.07422	1.0
302.10666	0.4
329.11600	1.4
357.20889	1.0
375.12613	100.0
376.12952	5.4
376.20868	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1263
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.05501	0.6
60.04535	0.4
69.03419	0.9
70.06596	1.7
71.04984	0.6
71.44865	0.4
72.08151	4.3
77.07228	0.4
80.05007	0.8
81.03417	0.4
81.07042	0.5
81.84357	0.3
84.04498	0.7
84.08144	6.0
85.02909	3.1
85.08469	1.4
86.09702	6.5
87.05599	0.8
94.06578	0.5
95.04958	1.3
97.02875	0.6
99.04450	0.6
103.01557	0.3
105.07022	0.6
107.08542	0.3
110.09727	0.4
120.08132	0.4
122.09628	0.6
126.06250	0.3
127.03906	0.6
129.10233	4.5
130.05014	1.2
130.10573	1.3
137.05978	6.4
145.04932	0.8
147.07666	1.2
149.09656	0.3
159.11305	1.9
173.12877	1.1
179.07031	3.0
179.12703	0.5
187.10828	0.9
189.12363	1.4
189.74437	0.3
197.08148	0.7
201.12347	0.6
213.07384	0.8
234.14937	0.7
235.15205	1.5
239.27078	0.4
243.18980	0.5
250.14104	0.3
253.16438	0.9
261.09482	6.1
278.17453	0.8
293.19308	0.7
299.07281	1.0
311.20428	1.6
313.18359	0.5
321.18732	0.4
329.20837	0.5
331.19363	1.7
332.11066	0.4
339.19800	0.7
356.20496	0.8
357.20935	4.8
358.20758	0.4
374.20865	0.6
374.28452	1.1
375.12585	100.0
376.13504	3.9
376.21021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1288
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
53.52043	1.4
55.01884	1.8
67.05487	2.7
67.77216	1.4
69.03432	3.5
69.37042	7.8
71.05001	1.8
77.03925	2.5
79.05495	17.5
80.76798	1.4
81.03424	2.7
81.07056	3.9
85.02907	9.0
91.05477	3.7
93.07051	4.4
95.04977	33.5
97.02893	5.9
103.05475	7.3
105.03414	2.7
105.04526	3.5
105.07010	1.7
107.04958	100.0
108.05299	2.3
109.02864	14.1
109.06541	1.9
121.06506	8.9
123.04427	10.0
125.02351	12.5
125.05975	4.2
131.04953	2.9
133.02859	6.3
135.04361	3.6
149.05997	12.9
151.03905	80.1
152.04268	2.1
153.05455	8.6
159.04434	2.0
177.05473	17.2
178.05888	2.6
195.06535	27.8
207.35776	1.6
213.07541	15.1
234.14909	3.8
235.15253	6.5
278.17538	9.1
311.20447	3.3
356.20511	3.4
357.20972	16.0
375.12585	3.3
375.22534	3.3
376.21121	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	375.1453
Annotation	Vladinol D
Peak:m/z	Relative Intensity
52.03172	0.5
53.03959	1.0
55.01871	1.8
55.05514	1.3
60.82096	0.6
63.01564	0.5
65.03928	2.3
67.05495	3.4
68.32313	0.6
69.03424	1.8
69.07055	1.7
70.03767	0.5
70.06573	0.6
79.05483	2.1
81.03416	34.7
81.07052	10.1
82.03751	0.7
82.06574	0.6
82.07381	1.6
83.04976	0.7
84.08161	1.3
84.38746	0.5
85.06527	0.7
91.05460	3.0
93.03390	0.6
93.07039	2.5
94.04176	1.2
95.04962	2.2
95.08601	2.1
96.08121	1.3
97.02871	0.6
97.06542	0.7
97.08911	1.1
99.04429	0.6
105.04539	0.7
105.07027	1.8
107.04948	1.4
107.08553	1.3
108.02090	2.7
109.06519	4.1
109.10135	0.8
110.06873	0.7
110.09669	1.3
111.04418	1.8
115.05454	2.5
117.07027	2.3
119.04951	1.6
119.08568	1.3
121.10193	1.0
122.03625	2.4
122.09633	0.7
123.04431	1.1
125.06012	1.4
125.56668	0.6
127.03960	0.6
128.06218	2.5
129.07010	8.8
131.04922	1.3
133.10107	0.9
134.09663	0.6
136.11235	4.9
137.05971	57.4
137.11546	1.2
138.06308	3.6
138.12773	10.1
139.13126	3.6
141.05458	2.4
143.04897	3.5
145.06477	2.8
147.08047	1.8
148.03938	1.1
149.06079	0.7
149.09639	0.7
150.12785	1.3
151.03909	100.0
151.05014	9.6
151.07533	1.6
151.13524	0.8
152.04247	3.3
153.05492	1.9
155.06041	1.0
157.06491	8.5
159.04375	0.6
159.11818	0.6
160.05220	1.6
161.05989	2.2
161.09633	1.9
163.07487	0.6
164.14362	2.5
165.05496	2.4
165.14719	1.1
166.73047	0.6
167.07045	1.4
169.12358	0.5
170.43439	0.5
171.04448	3.2
171.08081	0.8
173.05994	0.7
174.06767	0.8
175.03641	0.6
175.07538	4.4
176.04683	1.1
177.05508	0.6
177.09067	3.2
177.16383	0.5
179.07043	1.0
185.09563	1.0
187.07549	1.5
189.05414	1.2
189.09085	9.7
191.07030	4.9
193.08716	1.0
203.07036	19.0
204.07552	1.2
205.08611	17.9
215.07047	1.3
219.08076	1.0
221.08035	3.9
233.08099	4.5
235.07588	1.2
243.06456	1.7
246.06627	0.7
247.07603	1.5
249.09029	0.9
261.09137	1.0
261.98929	0.5
262.17975	1.3
263.06970	0.6
263.18280	1.0
264.07849	1.1
265.08618	1.1
271.06006	1.3
276.19580	1.0
277.08673	1.2
277.19931	0.8
279.10275	1.2
283.10800	1.4
285.07605	1.2
286.08411	6.2
289.08749	0.6
295.09668	1.9
297.11334	1.4
301.20016	1.5
302.21207	0.8
303.23157	0.6
306.08850	1.0
307.09772	2.6
308.09943	0.7
309.11194	0.8
311.12808	1.7
321.11276	4.0
321.24026	0.6
325.11874	0.9
327.12222	7.2
328.12543	0.7
339.12341	6.0
357.13330	9.5
358.13861	0.8
374.23303	12.4
375.14655	1.5
375.23618	48.6
376.17374	0.7
376.24857	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	5.3
55.05518	6.6
57.03425	0.9
65.03940	1.7
67.05506	13.3
69.03448	6.5
69.07072	7.1
71.04999	8.9
77.03919	1.6
78.22755	0.8
79.05492	23.9
79.45052	0.9
81.03419	2.7
81.07057	39.1
82.07379	1.2
83.04983	14.1
83.08624	3.9
85.02890	1.2
85.06534	4.5
87.00768	0.8
91.05477	15.6
93.07043	58.6
94.07380	1.6
95.04406	1.5
95.04965	13.5
95.08603	31.5
96.08957	1.1
97.02845	0.8
97.06532	18.6
97.69727	0.8
99.04454	17.1
101.06023	0.8
104.83057	1.0
105.04510	1.8
105.07030	36.7
105.07742	1.8
106.07354	0.8
107.04955	7.1
107.08594	32.3
108.08958	0.7
109.02887	2.9
109.06520	28.4
109.10157	4.2
110.06853	1.0
111.04440	2.1
111.08082	10.4
113.05983	2.9
115.05388	1.2
115.07574	0.9
117.07052	4.3
119.04932	2.0
119.07732	1.6
119.08575	24.6
120.08922	1.3
121.06506	59.1
121.10125	6.6
122.06825	1.7
123.04440	2.8
123.08062	5.5
123.11668	1.3
125.02337	1.2
125.05990	8.4
127.03899	1.8
127.07549	7.4
128.06187	2.5
129.07002	5.9
131.08571	6.5
133.06506	4.5
133.10133	17.2
135.04427	7.7
135.08052	18.6
135.09061	1.1
135.11703	2.3
136.11185	1.2
137.05994	6.9
137.09636	1.3
138.12770	2.1
139.07536	10.7
139.13078	2.1
141.05421	1.1
141.07040	1.2
142.07745	5.0
143.07069	5.8
143.08546	10.8
145.06474	1.8
145.10118	11.3
147.04488	1.0
147.08022	5.8
147.11684	45.1
148.12009	2.5
149.05977	1.1
149.13261	2.9
151.03903	1.7
151.07555	2.1
151.11128	0.8
153.09117	4.6
155.08531	2.0
156.09364	3.9
157.06499	1.3
157.08664	2.1
157.10112	16.4
159.06546	3.8
159.07991	1.3
161.05995	1.2
161.09657	2.2
161.13278	10.3
163.11165	1.8
163.14868	1.6
165.09036	1.1
165.12762	10.2
166.07793	2.8
167.07025	1.5
171.08063	1.5
171.10283	1.5
171.11678	17.8
173.09610	7.2
173.13272	3.1
174.27084	0.8
175.07544	1.3
175.11186	26.0
176.11443	2.2
181.10092	3.2
184.08800	2.0
189.09010	1.0
189.12743	30.6
190.13055	1.2
191.10657	1.1
191.14307	1.0
193.12241	23.0
194.12617	1.8
199.09341	1.4
199.11180	24.3
200.11583	2.2
207.13805	25.2
208.14076	1.7
211.13261	8.3
214.44806	0.8
217.12239	90.8
218.12553	5.1
229.14333	1.0
235.13286	100.0
236.13651	8.9
253.14346	46.6
254.14693	2.7
271.15222	1.1
278.17523	1.4
321.13165	0.9
321.56372	0.8
375.14215	1.0
375.23569	17.8
376.24826	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23814	0.6
55.05504	0.7
57.26529	0.7
58.64439	0.6
69.07059	2.8
70.49290	0.6
70.77678	0.6
73.06536	1.6
77.03920	1.1
78.74037	0.7
79.05479	0.8
80.94862	0.8
81.07046	2.1
86.09703	7.3
89.03912	5.7
95.04961	2.1
105.03397	11.9
105.07058	5.1
116.04980	47.8
117.05296	1.1
123.04423	0.7
126.95866	0.8
131.03665	2.3
132.04453	4.5
134.04410	0.6
134.06027	4.5
136.11191	0.8
137.05965	2.6
138.12773	2.0
139.13153	1.4
144.04437	6.6
156.04439	0.9
162.05501	55.1
163.05859	2.1
167.07033	0.9
172.03911	6.0
172.05173	0.8
183.06880	1.0
185.07005	0.9
189.65303	0.7
190.04991	100.0
191.05330	5.0
197.86768	0.7
225.10239	0.8
243.11250	1.2
244.09688	11.2
253.12103	0.7
255.10022	0.8
261.12323	8.9
262.10733	52.2
263.11087	3.2
263.18378	0.9
311.17407	3.8
329.18579	66.7
330.18985	4.9
357.18033	2.0
375.19095	17.8
375.23596	13.8
376.20151	0.8
376.24863	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	375.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
56.56455	0.5
58.72468	0.4
62.42268	0.4
62.48827	0.5
69.07054	2.4
69.80802	1.7
73.06561	2.0
73.45107	0.5
77.03928	1.1
81.07053	1.4
82.07367	0.8
86.09711	6.8
89.03919	6.9
93.64574	0.5
95.04967	1.0
103.04204	1.0
105.02684	0.8
105.03382	12.3
105.04465	0.6
109.06522	0.5
116.04979	49.0
117.05309	1.6
121.77473	0.5
123.04487	0.6
131.03644	2.8
132.04472	4.3
134.06010	2.9
137.06009	1.4
138.12759	2.1
139.13158	0.9
144.04419	7.0
156.04428	0.6
162.05499	59.0
163.05830	1.8
172.03914	6.3
180.82909	0.5
190.04993	100.0
191.05334	4.2
198.09132	0.7
230.32916	0.5
243.11305	0.6
244.09679	10.8
245.09868	0.7
255.09991	0.6
261.12354	10.4
262.10736	53.5
263.11148	3.1
311.17548	4.8
329.18582	69.4
330.18906	5.5
331.20905	0.8
353.21820	0.5
357.18192	2.4
375.19073	19.2
375.23627	12.1
375.32724	0.6
376.19644	1.5
376.24689	1.2
392.15698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
51.61886	1.1
53.03944	1.1
55.05506	5.2
57.07064	1.6
58.51307	1.2
59.32925	1.2
61.02910	1.5
65.79092	1.2
67.05496	4.1
67.60463	1.3
69.03418	5.8
69.07073	8.8
69.16949	8.9
71.04983	3.7
79.05491	6.1
81.03403	2.0
81.07058	13.2
83.04945	1.4
83.08627	8.0
85.02918	6.7
85.06539	2.7
91.05475	2.1
93.07036	9.2
95.08610	25.9
95.36829	1.2
97.02898	2.3
97.06506	1.3
97.10181	3.3
98.22683	2.9
99.08083	10.7
105.07037	3.8
107.07918	2.1
107.08595	24.0
109.10124	7.6
110.09727	1.3
111.08065	5.5
119.08530	2.4
121.10149	43.7
122.09637	2.5
123.11696	1.6
125.09640	5.5
127.03953	2.7
133.10115	2.4
135.11684	7.9
137.05954	2.9
137.13239	4.2
139.11160	1.7
149.13245	3.9
150.09135	1.5
168.10161	2.0
177.16388	100.0
178.16731	4.4
184.13327	1.7
195.17426	19.2
213.18506	23.5
214.18774	1.8
278.17441	2.6
375.19513	2.2
376.16898	2.4
376.21216	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72005	7.1
55.05510	14.6
55.85765	6.4
57.07062	6.8
59.05014	9.2
67.05500	28.8
69.07062	18.1
69.57548	16.3
69.57932	13.5
79.05489	42.5
81.07053	46.7
88.07607	7.9
91.05487	58.5
93.07042	79.9
95.04969	48.4
95.08585	40.6
97.06525	12.8
97.60921	6.8
98.22720	8.3
102.09149	10.2
104.55362	6.3
105.07016	100.0
107.08590	41.4
109.06536	11.0
109.10163	24.7
110.87018	6.4
117.07008	22.4
119.08577	84.4
121.06512	14.8
121.10140	72.8
129.01845	11.5
129.06998	16.9
130.07811	14.8
131.08578	55.6
133.10130	43.1
135.11697	15.1
139.04248	7.5
142.07785	21.1
143.08571	25.9
144.09406	9.4
145.10118	64.9
146.24434	6.7
147.11757	14.9
155.08585	8.9
156.09381	11.5
157.10164	43.6
158.10793	8.4
159.11702	23.8
161.09579	18.2
171.11676	11.2
173.13240	11.9
179.08623	9.4
183.11691	12.6
185.13200	9.0
187.14827	9.6
195.11719	15.2
199.14839	6.6
209.13345	10.6
211.14758	9.4
223.14742	12.5
238.71606	7.2
259.20459	6.5
262.11133	7.3
294.02948	7.3
312.32788	8.0
313.33047	9.9
374.36203	16.0
375.26758	16.1
375.36694	43.0
376.31732	9.3
388.14767	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.9
55.84534	5.0
56.61470	5.1
57.07061	6.2
59.19006	4.9
62.77967	5.1
64.84268	5.2
67.05524	30.4
69.07067	14.9
71.24250	4.9
78.10459	5.2
79.05492	42.5
81.07061	53.0
83.05016	5.0
84.98902	4.9
91.05490	48.7
92.31103	5.5
92.50934	5.6
93.07055	80.2
95.04993	28.2
95.08620	44.1
97.06533	9.6
105.07040	100.0
107.08604	42.3
109.06536	9.2
109.10171	26.0
115.05492	7.1
117.07030	17.5
119.08580	81.8
120.08933	5.5
121.06505	9.3
121.10157	53.3
123.11758	6.3
128.06314	7.4
129.07021	10.3
131.08557	35.4
133.10139	34.4
135.11676	14.9
137.09581	6.3
142.07787	17.7
143.08563	25.6
144.09367	6.2
145.10115	51.2
147.11700	17.0
157.10135	41.0
159.11720	25.1
161.09579	8.7
169.10118	8.1
170.11020	6.0
171.11694	15.2
173.13254	13.4
175.11206	15.5
175.14923	8.4
175.44649	5.9
181.10143	10.0
182.48907	5.8
183.11763	12.1
187.11342	7.3
187.14828	9.0
195.11780	6.4
197.13298	11.2
209.13324	6.7
211.14964	7.0
375.27011	13.5
375.36703	18.3
376.20935	10.4
376.25485	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	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67338	5.8
54.12058	5.7
55.05520	27.4
56.36419	5.4
57.07072	8.4
58.44860	5.5
67.05514	30.8
69.07066	9.4
69.29519	30.2
79.05491	40.1
81.07059	65.6
83.08596	10.8
88.18120	5.7
91.05482	47.8
93.07042	100.0
95.04967	46.4
95.08611	45.9
95.37820	5.5
97.06516	9.5
98.22662	11.4
105.04546	6.9
105.07041	97.0
107.08590	57.6
109.06535	11.1
109.10161	33.8
117.07008	19.4
119.08581	75.5
121.06499	21.7
121.10140	76.8
123.08063	11.9
123.11800	5.7
128.06207	7.8
128.61026	5.5
129.06990	12.9
130.07776	8.2
131.08548	48.4
133.10129	42.6
135.08061	5.6
135.11668	16.5
142.07788	16.5
143.08569	22.9
144.09309	6.4
145.10110	59.9
147.11681	21.7
149.13229	7.3
155.08601	11.7
156.09352	9.2
157.10115	44.4
159.11624	27.9
161.09622	21.0
161.13187	6.5
169.10143	18.2
171.11664	14.2
173.13261	13.0
175.11252	8.9
175.14737	12.8
181.10086	11.1
183.11732	14.1
183.31233	5.7
185.13295	12.4
187.11165	7.1
187.14867	19.2
195.11664	12.9
197.13184	12.3
209.13275	9.1
223.14784	7.1
275.20285	8.4
299.88553	6.4
302.82040	5.8
375.23108	12.3
375.26791	9.2
375.30530	31.1
375.36084	7.3
376.20923	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86039	4.2
52.06239	3.5
53.03941	3.6
55.01871	3.9
55.05521	29.4
57.07083	5.3
67.05510	28.8
69.07078	15.2
79.05495	37.8
81.07059	54.3
83.04984	5.5
83.08624	14.2
85.09619	3.8
88.07618	3.9
91.05491	49.3
93.04644	3.7
93.07052	84.0
95.04977	49.0
95.08610	51.5
97.06555	9.8
102.29240	4.1
105.07039	100.0
107.08607	38.0
109.06531	12.4
109.10152	33.7
114.72296	3.9
117.06282	3.7
117.07047	17.4
119.08591	81.4
121.06516	19.0
121.10154	64.2
123.08119	6.4
123.11748	11.6
128.06236	7.7
129.07030	16.2
130.07777	5.5
131.08589	43.5
133.10129	38.0
135.11710	18.6
141.07045	5.0
142.07825	19.9
143.08582	33.9
144.09328	6.1
144.74048	3.5
145.10138	58.5
147.11671	20.4
155.08588	8.4
156.09306	6.5
157.10135	47.8
159.11720	25.0
161.09660	10.5
161.13324	7.9
164.60471	3.7
167.08549	4.4
169.10168	17.2
171.11714	14.7
173.13290	16.3
175.14830	10.4
179.08534	6.4
181.10112	6.4
183.11745	15.4
185.13353	11.7
187.11201	6.2
187.14879	14.3
194.10936	6.0
195.11794	14.8
197.13373	10.6
199.14873	8.3
209.13269	11.6
211.14914	10.2
213.16495	4.4
235.14835	4.4
239.14323	5.2
253.19566	4.5
275.20285	6.1
332.48944	3.9
375.26788	16.7
375.31058	7.9
375.35922	3.7
375.97455	4.0
376.21094	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	376.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43014	0.6
55.05499	0.7
57.07070	1.2
64.19077	0.6
65.03895	0.7
67.05493	1.3
68.01392	1.5
69.03404	0.7
69.07079	0.6
69.29234	0.6
69.97144	1.3
69.97474	1.4
71.04959	0.6
72.10839	0.7
81.07042	1.0
89.79111	0.7
92.05000	1.0
94.63817	0.6
95.04958	0.7
95.08624	0.8
98.22691	1.0
108.86835	0.7
114.03436	1.0
120.04464	7.2
121.02871	59.6
122.03204	1.8
129.04482	20.0
130.02957	1.5
130.03999	3.1
147.05528	1.0
150.58368	0.6
157.27350	0.8
162.05513	2.1
188.03429	37.3
189.03746	1.4
190.04945	4.2
197.03468	1.5
204.00681	0.7
206.04498	6.5
273.06610	1.5
288.07700	2.2
289.05981	4.2
302.18594	0.7
316.07166	100.0
317.07510	8.9
358.08273	2.2
376.09277	41.3
376.20901	3.0
376.24854	3.2
377.09668	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	376.1523
Annotation	Pro Met Glu
Peak:m/z	Relative Intensity
58.30409	1.1
62.20758	1.1
70.06568	1.6
70.16419	2.8
71.92086	1.2
72.15741	1.1
86.09708	2.3
98.23338	2.2
125.26696	1.4
127.53429	1.2
137.05962	1.3
155.50642	1.3
191.27510	1.1
201.85495	1.2
215.05275	1.9
296.85419	1.3
302.14221	1.3
308.38727	1.3
333.22195	1.5
375.22186	1.3
376.15179	100.0
376.22696	3.0
377.08493	23.6
377.15094	6.7
394.41287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64785	1.7
59.91034	1.6
70.03172	5.2
70.06540	2.2
73.91515	1.8
74.35229	1.9
74.35755	1.6
79.96322	2.1
84.08122	2.1
85.02867	3.3
86.09653	3.4
98.22783	2.2
121.20863	1.8
123.04436	14.9
133.06493	2.9
134.36423	1.7
137.05905	7.0
151.07489	4.3
161.05917	4.0
163.03754	3.1
177.64378	1.8
179.07025	48.0
185.01862	2.0
197.08109	20.5
215.05101	6.0
220.79219	1.7
261.02600	2.1
359.06961	2.7
376.14890	100.0
376.21289	5.9
377.08453	99.5
377.15253	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	376.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01851	1.5
55.05479	0.9
56.05005	0.5
57.03412	1.4
60.05646	2.8
67.05479	1.0
69.00892	0.6
69.03432	2.2
70.06566	1.1
71.04976	0.7
79.05508	1.6
80.05014	3.3
81.03401	0.5
81.07050	2.5
82.06559	0.8
83.04929	0.4
84.08122	1.4
85.02900	2.3
86.03549	5.7
91.05487	2.0
93.07039	3.2
94.06570	5.1
95.04969	0.5
95.07217	0.3
95.08577	0.9
96.04495	0.4
96.08118	0.4
97.02859	1.4
97.06495	1.0
99.04428	0.5
105.06991	1.3
106.06537	0.5
106.84285	0.4
107.04977	0.5
107.08585	0.7
108.08081	0.9
109.06468	0.4
111.05530	0.5
111.08066	0.6
117.06973	1.1
119.08591	0.6
120.08099	6.0
121.08857	1.2
122.08820	0.5
122.09669	7.9
125.05974	1.2
130.07762	0.4
131.08533	1.0
132.08093	1.6
133.08838	0.4
134.09666	3.0
135.08047	0.4
135.10368	0.4
136.07594	0.6
136.11208	0.8
137.05977	9.9
137.08093	0.3
144.08047	1.1
145.04881	0.7
145.10114	1.2
146.09625	3.7
147.10327	0.5
148.11200	7.7
149.11531	0.4
150.09142	8.7
152.10674	0.4
158.09650	0.6
159.10313	0.3
160.11163	1.2
162.09100	1.0
162.12787	0.9
164.06995	0.4
168.10205	10.5
172.11237	1.6
173.09645	0.4
174.12883	0.8
176.14398	0.8
179.07019	4.5
180.13753	0.5
182.11757	0.7
184.11244	0.5
186.12775	2.7
190.12271	0.9
192.13884	0.6
194.11752	0.7
197.08040	0.8
202.12216	0.8
204.13823	1.3
206.11758	1.1
214.15735	0.3
218.11719	1.2
219.12677	1.7
220.13335	3.4
221.13631	0.4
222.14883	10.4
229.06367	0.4
232.11069	0.4
232.13290	1.2
234.14973	0.6
235.80951	0.3
237.13094	0.4
242.15329	0.8
244.13277	0.6
258.14865	0.5
260.10391	1.7
260.16464	6.7
278.11386	3.5
278.17499	100.0
279.17844	6.9
284.52100	0.3
292.12851	3.5
299.55023	0.3
318.10822	2.4
358.20206	3.2
376.21191	47.5
377.08350	0.5
377.21466	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	376.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.4
55.05535	0.4
66.39090	0.2
66.65952	0.2
67.05508	2.7
67.05814	0.2
68.05042	0.6
69.03452	0.6
69.07085	0.3
69.38385	1.0
70.06603	0.5
71.05007	0.5
79.05495	1.2
80.05014	2.1
81.03426	0.4
81.05831	0.3
81.07067	1.1
82.06582	2.1
83.07367	0.5
84.08159	0.4
85.02958	0.4
85.06586	0.3
91.05487	1.1
93.07043	1.4
94.06569	9.8
94.07153	0.5
95.04971	6.3
95.07416	0.4
95.08612	3.3
95.09133	0.3
96.08141	1.6
97.06537	0.4
98.06087	0.9
99.04445	0.3
99.31320	0.2
100.07652	0.5
105.07037	1.4
106.06580	0.8
107.04954	0.2
107.07382	0.3
107.08624	0.9
108.08104	2.3
109.06512	1.0
109.08951	0.2
113.06031	0.3
117.07043	0.5
118.06568	0.4
119.08611	0.8
120.08094	1.5
120.64110	0.2
121.06512	0.2
121.08891	0.4
122.09667	10.3
124.07590	1.0
124.11243	4.0
124.12103	0.3
127.03983	0.6
127.07579	0.6
128.07056	0.5
129.07039	0.2
130.69113	0.2
131.08607	0.7
132.08092	4.0
133.06573	0.2
133.08965	0.3
133.10155	1.0
134.09644	4.6
134.10565	0.3
136.07582	3.0
136.11299	0.5
137.06009	0.8
138.09138	1.6
138.12817	0.3
141.05545	0.2
145.10132	0.5
146.09651	1.9
147.10434	0.7
147.11636	0.4
148.11206	5.1
150.09146	8.8
150.12837	0.8
151.09843	0.4
155.07108	0.4
156.10249	0.6
159.11736	0.3
160.07643	0.3
160.11235	0.4
161.08380	0.4
162.09120	0.4
162.12813	0.4
164.10751	0.6
164.14345	6.9
164.15660	0.4
165.14755	0.5
172.11261	1.0
173.11984	0.3
174.12778	4.2
176.10724	0.7
176.14345	2.0
182.11787	0.5
184.09721	0.8
188.14378	0.5
189.15186	0.4
190.12280	4.3
190.13962	0.4
190.14296	0.4
190.15869	3.0
191.12941	0.7
192.13837	18.1
193.14178	0.8
200.10759	0.3
208.13347	1.4
210.11278	2.4
214.15927	0.2
216.17557	0.4
218.11739	0.8
218.15411	0.7
222.11250	4.3
223.11539	0.3
232.16963	18.1
233.17398	1.3
236.12802	10.2
237.13303	0.8
250.18025	8.5
251.18280	0.5
260.16528	0.3
272.16476	0.3
278.17505	100.0
279.17856	6.9
290.17535	1.6
302.21063	0.7
320.26575	0.2
330.20627	2.8
348.21637	2.8
376.21063	86.7
376.24887	9.6
377.21396	7.9
377.25250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05497	0.4
57.03441	1.0
58.25464	0.3
60.05650	3.4
62.15389	0.4
67.05498	0.6
69.03417	1.7
70.06568	0.8
71.04971	0.5
71.43822	0.6
72.62091	0.5
79.05487	1.2
80.05019	4.5
81.07057	2.3
82.06574	0.6
83.01353	0.4
85.02884	1.7
86.03557	5.2
91.05450	1.7
93.07058	4.1
94.06567	4.7
95.04949	1.4
95.08598	0.9
97.02878	1.5
97.06550	0.7
99.04424	1.0
105.07016	1.3
106.06563	0.7
107.05005	0.6
108.08143	0.9
111.08054	0.9
117.07012	1.2
119.08545	0.5
120.08094	6.3
121.08862	0.6
122.09673	8.4
125.05985	1.0
131.07294	0.7
131.08536	1.2
132.08076	1.4
133.08894	0.5
134.09630	3.1
135.10324	0.4
136.07542	0.6
136.11186	0.8
137.05965	5.7
144.08032	0.7
145.08954	0.6
145.10120	1.2
146.09651	3.8
147.10367	0.5
148.11198	8.9
150.09149	8.9
158.09552	0.4
160.11206	1.2
161.11919	0.5
162.09077	0.6
162.12776	0.5
163.50275	0.4
164.10686	0.6
168.10210	8.2
172.11197	1.6
174.12808	0.8
179.07048	1.3
182.11703	0.9
186.12762	3.2
190.12361	0.9
192.13898	0.5
194.11571	0.4
194.15465	0.4
202.12204	0.9
204.13824	1.3
206.11757	0.9
218.11746	1.6
219.12531	1.5
220.13310	4.1
221.13774	0.4
222.14888	11.0
223.15164	0.8
232.13423	1.5
232.16946	0.8
234.14868	0.8
242.15390	0.9
244.13319	0.5
260.10297	1.3
260.16470	7.3
261.16748	0.6
278.17508	100.0
279.17844	6.4
292.12881	4.3
318.10852	1.5
326.37372	0.4
350.04675	0.4
358.20331	4.5
376.13763	6.4
376.21167	48.6
377.13358	0.7
377.17599	1.6
377.21783	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	376.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01885	0.3
55.05516	0.3
55.86715	0.2
58.60238	0.3
67.05515	2.7
68.05057	0.3
69.03456	0.4
69.07072	0.3
69.08640	0.9
69.09056	1.1
70.06608	0.9
79.05511	1.1
80.05013	2.4
81.05814	0.4
81.07064	1.4
82.06589	1.7
83.07385	0.3
85.02917	0.4
85.06582	0.3
91.05505	1.0
93.07040	1.4
94.06570	9.0
95.04976	6.8
95.08618	3.3
96.08138	0.7
98.06078	0.8
101.06048	0.4
105.07059	1.1
106.06571	1.0
107.08618	0.8
108.08121	1.8
109.06547	1.2
113.06021	0.4
114.78551	0.3
116.86010	0.3
117.05785	0.4
117.07017	0.4
118.06557	0.4
119.08629	0.4
120.08098	1.5
121.10216	0.4
122.09670	8.9
122.10550	0.6
123.04402	0.3
124.07627	0.9
124.11223	3.3
127.07610	0.4
131.08571	0.4
132.08096	4.3
133.08876	0.5
133.10156	0.5
134.09662	3.3
135.69737	0.3
136.07584	4.7
136.11237	0.9
138.09123	1.7
144.08078	0.3
146.09636	1.9
147.10455	1.1
147.11646	0.6
148.11201	4.8
148.12337	0.3
150.09149	9.2
150.12825	0.5
151.09801	0.5
155.07039	0.7
156.10194	0.7
160.07573	0.8
161.08363	1.1
162.09193	0.3
162.12732	0.4
164.10698	0.5
164.14359	5.4
172.11208	0.8
173.11967	0.3
174.12814	2.3
176.10677	0.4
176.14371	1.0
182.11765	0.7
184.09720	1.2
188.14282	0.3
190.12292	3.5
190.15932	1.3
191.13066	0.5
192.13844	13.9
193.14130	0.3
202.12273	0.4
208.13284	1.3
210.11276	2.7
214.15929	0.5
216.17628	0.4
218.11868	0.9
222.11261	3.9
226.95767	0.3
232.16974	10.9
233.17313	0.5
236.12811	11.4
237.13260	0.9
244.17018	0.5
250.18044	6.6
272.16370	0.8
276.16168	0.4
278.17514	100.0
279.17834	7.1
290.17496	0.7
330.20590	1.3
340.06909	0.3
348.21643	1.3
358.20105	0.4
367.49078	0.3
376.21100	88.6
376.24765	6.4
377.21509	7.4
377.26025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00532	0.3
53.03903	0.2
54.33869	0.3
55.01867	1.4
55.05487	0.8
57.03414	1.2
60.05621	1.0
62.53991	0.3
67.05487	1.0
69.00887	0.3
69.03410	1.6
69.07053	0.3
70.06579	0.4
70.12457	0.8
71.04980	0.6
79.05506	2.2
80.05018	3.3
81.07059	3.7
82.06556	0.6
83.04971	0.4
85.02879	0.8
86.03554	1.7
86.09703	0.3
91.05482	2.5
93.07039	4.2
94.06563	4.7
95.04934	0.9
95.08581	0.9
96.08128	0.3
97.02895	2.1
97.06514	0.9
99.04443	0.4
103.05450	0.3
105.07032	2.2
106.06548	0.5
107.07333	0.4
107.08554	0.5
108.08083	0.9
109.06509	0.6
110.09727	0.4
111.04454	0.4
111.08067	0.7
112.07561	0.3
114.44825	0.3
115.03960	0.3
117.07008	1.6
118.06540	0.6
119.08564	0.9
120.08109	5.4
121.06428	0.4
121.08869	0.5
122.09673	7.3
123.04459	0.4
123.09945	0.3
124.11184	0.3
125.05974	1.4
126.65617	0.2
127.03845	0.3
129.06914	0.4
131.08553	1.2
132.08066	1.6
134.09656	3.5
135.07990	0.5
135.10405	0.9
136.07565	1.8
136.11168	0.8
137.05930	0.5
138.09146	0.3
140.07079	0.3
142.36687	0.3
144.08072	0.5
145.09024	0.5
145.10101	2.3
146.09656	3.8
148.11211	7.6
149.11572	0.3
150.09143	9.5
151.07544	0.5
151.09444	0.3
155.08478	0.6
157.10133	0.4
158.09576	0.4
159.10448	0.4
160.11176	1.1
161.08353	0.4
161.11972	0.5
162.09105	1.8
162.12741	1.0
166.05023	0.4
168.10207	10.3
172.11209	1.3
172.55608	0.3
173.09569	0.8
174.09076	0.6
174.12788	1.0
176.14308	0.5
178.12328	0.5
179.06050	0.3
180.10249	0.4
182.11749	1.3
186.12776	3.5
187.13510	0.3
188.10629	0.4
188.14307	0.3
190.12297	0.7
200.10599	0.3
202.12213	1.1
203.52705	0.3
204.13766	1.6
204.75334	0.4
206.11766	1.1
208.13193	0.3
214.15874	1.1
216.13840	0.4
218.11729	1.1
219.12541	1.7
220.13292	3.6
222.14896	7.8
223.15173	0.6
228.13873	0.4
232.13318	1.4
232.16875	0.7
234.14919	0.5
236.15395	0.5
242.15401	0.7
244.13297	0.5
246.14711	0.4
258.14981	0.8
260.10422	0.5
260.16415	7.0
261.16708	0.6
278.17505	100.0
279.17853	5.7
292.12918	1.0
302.17520	0.6
312.20111	0.4
318.10867	0.7
341.45834	0.3
358.20193	5.3
359.20609	0.5
376.13135	1.3
376.21185	53.8
377.17236	2.1
377.21841	3.9
390.28909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	20.0
57.07053	1.4
69.69595	1.0
69.69977	1.3
70.06591	1.5
71.06918	0.5
71.08618	0.7
71.95264	1.9
72.96048	0.8
73.44621	0.5
80.94847	0.7
82.96124	0.4
88.07626	2.7
91.93230	0.5
97.96806	3.8
98.97583	1.4
102.09197	1.1
103.09533	0.6
105.00160	0.8
110.09086	0.5
110.12670	0.5
110.97562	6.2
113.08817	0.4
115.97848	1.8
116.98616	0.5
119.01704	0.5
123.01203	1.0
124.99124	0.6
126.73482	0.5
128.98599	8.7
137.02716	1.4
143.00183	1.5
146.99635	5.3
151.04352	0.5
161.01234	1.5
165.00729	0.6
171.03329	1.7
175.02763	0.7
179.02164	0.6
185.04854	0.9
189.04401	0.8
190.05121	1.6
198.24355	0.5
203.05960	1.2
205.07491	1.0
209.04874	0.7
249.07968	0.8
263.09619	2.9
277.11118	2.0
281.10562	0.6
291.12701	0.9
294.43335	0.5
296.12802	0.6
313.32788	4.3
314.33267	1.0
315.16183	0.7
317.17853	30.9
318.18179	1.3
333.17352	2.7
333.28519	0.5
335.18921	100.0
336.19238	7.0
353.19974	25.0
354.20206	1.5
358.20529	15.1
359.20871	1.2
371.20554	0.5
374.40030	0.5
375.36655	11.0
376.21381	2.0
376.25027	2.0
376.37045	3.4
399.23373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2484
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
52.92125	0.3
55.05500	0.6
56.05044	0.6
59.61241	0.3
62.28172	0.3
67.05501	1.3
69.03427	0.5
69.07049	0.5
69.53297	0.6
69.53688	0.8
70.06570	1.0
79.05468	0.7
80.05033	0.7
81.07067	1.6
82.06570	0.8
84.08131	1.2
93.07038	1.4
95.08601	3.0
96.08151	1.7
97.02914	0.6
97.08910	0.6
97.53441	0.3
98.09688	0.4
98.22739	0.4
105.07014	0.7
107.08574	0.6
108.08131	0.6
109.10131	0.6
110.09692	1.9
119.08562	0.6
121.10147	1.1
122.09652	2.3
123.08070	0.7
124.07592	0.5
124.11268	1.6
125.06007	0.4
126.12792	0.8
131.08578	0.4
133.10149	0.5
134.09656	0.8
136.11203	5.3
137.12056	0.4
138.12766	1.8
139.07538	0.4
145.10063	0.5
148.11235	0.8
150.09145	2.0
150.12735	1.9
151.13571	0.8
162.12843	1.8
164.14368	1.7
168.10184	1.4
176.10722	0.4
176.14386	0.8
178.15909	2.4
180.17470	4.2
182.11798	0.5
190.15930	2.0
192.17479	1.1
193.18275	0.9
202.15945	0.4
204.17468	1.6
206.19040	3.6
222.14879	0.7
234.14897	1.0
234.22028	0.4
236.16440	3.6
250.18089	1.1
264.19559	1.3
274.18033	1.4
276.19653	2.4
278.21118	0.8
281.35904	0.4
302.21130	4.8
326.16745	0.3
348.25513	0.8
358.23593	0.4
376.24814	100.0
377.25165	11.1
377.30078	0.4
379.13254	0.4
396.15359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05497	0.7
56.05025	0.8
67.05502	1.5
68.05009	0.3
69.03420	0.7
69.07059	0.4
70.06584	0.7
70.94403	0.3
71.04974	0.4
79.05484	0.8
80.04998	0.8
81.07069	1.5
82.06567	0.7
83.04937	0.3
83.07384	0.2
83.08623	0.2
84.08129	0.9
91.05476	0.9
93.07034	1.4
95.08605	2.1
96.08129	1.4
97.02867	0.5
97.08897	0.6
99.04466	0.6
100.07629	0.3
100.11259	0.3
105.07021	0.9
107.08598	1.1
108.08118	0.7
109.08975	0.2
109.10107	0.4
110.09697	1.0
111.10406	0.2
112.07575	0.4
114.09163	0.5
119.08566	1.0
120.08079	0.6
121.10134	0.5
122.09678	1.4
123.07999	0.3
123.10446	0.4
124.07610	0.4
124.11235	1.1
126.12807	0.4
128.07088	0.2
131.08540	0.5
132.08081	0.3
133.10139	0.8
134.09656	1.6
135.11679	0.6
136.11214	5.5
137.09647	0.2
137.11977	0.3
138.12778	0.9
142.08636	2.3
143.08554	0.2
145.10144	0.5
146.09612	0.3
146.65128	0.2
147.11722	0.4
148.11177	1.5
149.12019	0.6
150.09120	1.3
150.12782	0.8
151.13567	0.5
152.10672	0.4
157.10124	0.2
157.32375	0.2
159.11699	0.4
160.11244	0.6
161.13281	0.2
162.12798	2.3
164.10721	0.5
164.14363	0.8
168.10205	1.7
174.12852	0.2
176.14334	0.9
178.15918	0.9
180.17474	2.5
181.17830	0.3
182.11769	3.0
183.11897	0.2
183.38672	0.2
184.13383	0.2
188.14322	0.3
190.15919	1.5
190.81900	0.2
192.10306	0.2
192.17509	0.6
193.18294	0.3
204.17462	0.7
206.19003	1.4
210.14952	0.3
222.14789	0.3
234.14949	1.2
235.15604	0.5
236.16441	2.8
248.16444	0.4
250.18005	0.5
262.18054	0.6
264.19623	0.6
274.17920	1.0
276.19574	1.5
278.21002	0.3
288.19565	0.2
300.19608	0.2
302.21130	4.7
302.24576	0.3
303.21542	0.5
310.13022	0.2
330.24191	0.4
348.25342	0.3
358.23810	0.6
376.24811	100.0
377.25143	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	376.2488
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
51.11130	0.3
55.01851	0.3
55.05475	0.3
58.22940	0.3
67.05489	0.7
67.35286	0.3
69.03430	0.5
69.07056	0.3
70.06597	3.9
71.04987	0.4
74.24563	0.3
79.05508	0.4
80.05010	0.5
81.07053	0.4
82.06594	0.4
84.08120	0.4
84.25807	0.3
86.09700	0.7
88.61286	0.3
91.05465	0.6
93.07050	0.7
95.04956	0.5
95.08605	0.5
107.08612	0.6
108.08142	0.5
112.07468	0.3
116.07120	0.4
116.47597	0.3
119.08598	0.4
120.08091	1.8
122.09652	2.0
124.11182	0.4
132.08070	0.5
133.06418	0.3
133.10115	0.4
134.09651	1.2
136.11214	42.2
137.05998	0.4
137.11450	1.4
138.20364	0.3
146.09644	0.4
147.11618	0.3
148.11215	0.6
150.09134	1.1
150.12759	0.3
155.60820	0.3
159.11659	0.3
160.11145	0.5
162.12784	1.2
164.14391	0.6
174.12805	0.5
176.14360	0.6
181.08595	0.4
182.11763	0.8
190.12250	0.4
190.15881	2.0
192.13834	1.1
202.12154	0.3
204.17485	1.7
217.13620	0.4
232.17001	1.1
234.14957	1.2
235.15652	0.8
236.12915	1.3
236.16339	1.8
237.16887	0.5
248.16460	0.6
250.18022	0.8
260.16473	0.3
262.17941	0.6
263.13947	0.5
274.18048	2.3
276.19629	0.6
278.17523	10.3
279.17792	1.0
302.21201	1.3
334.20197	0.4
358.24014	0.4
376.21042	8.5
376.24905	100.0
377.21423	0.9
377.25250	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	376.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41299	0.2
52.31764	0.2
55.01870	0.2
56.05020	0.2
58.02233	0.2
58.02539	0.2
67.05510	0.5
69.03405	0.4
69.26083	0.9
70.06277	0.2
70.06602	2.2
71.04987	0.3
73.02359	0.2
76.28459	0.2
79.05479	0.4
80.05034	0.2
81.07050	0.4
82.06585	0.2
84.08140	0.4
86.09711	0.4
91.05460	0.3
93.07025	0.6
95.08597	1.0
96.08130	0.3
97.02917	0.2
97.08942	0.3
99.04447	0.3
105.07057	0.4
107.04938	0.3
107.08602	0.3
108.08161	0.3
110.09668	0.3
119.08540	0.4
120.08107	0.4
121.10164	0.4
122.09667	1.0
123.04417	0.4
123.08087	0.2
124.11253	0.4
129.99120	0.2
131.08495	0.2
134.09645	0.5
136.11217	45.6
137.05948	0.4
137.11491	2.4
138.11848	0.3
138.12791	0.6
145.10135	0.3
146.09587	0.2
148.11182	0.6
150.09123	0.6
150.12793	0.7
151.13562	0.2
160.11240	0.4
162.12827	1.4
164.14351	0.5
165.05453	0.4
168.10187	0.4
176.14307	0.5
178.15939	0.9
179.16154	0.3
180.17529	1.0
182.11780	0.5
190.15939	0.6
192.17520	0.3
194.11833	0.3
202.12363	0.2
204.17595	0.5
206.19131	0.9
216.13828	0.2
220.13290	0.3
222.15007	0.4
234.14845	2.0
235.15663	0.7
236.16435	2.4
237.16743	0.3
248.16362	0.3
250.17653	0.2
262.17957	0.4
263.13934	0.4
264.19519	0.3
274.18024	0.3
276.19595	0.9
277.19995	0.5
278.17593	0.2
278.20544	0.8
287.03723	0.3
302.21054	1.3
320.18619	0.4
334.19940	0.2
345.66061	0.2
348.25525	0.3
357.00058	0.2
376.24792	100.0
377.25156	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	376.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.05025	0.4
57.87780	0.3
58.06574	0.3
67.05486	0.9
69.03437	0.5
69.07083	0.3
70.06586	2.8
71.05000	0.3
74.78313	0.2
79.05473	0.6
80.05029	0.3
81.07059	0.7
82.06578	0.4
84.08141	0.8
85.02916	0.5
85.98290	0.3
86.09679	0.6
87.37383	0.3
91.05454	0.8
93.07049	1.0
95.08614	1.1
96.08123	0.7
97.02897	0.4
97.08917	0.4
98.09689	0.4
100.92451	0.3
105.07049	0.7
107.08598	0.7
108.08118	0.6
109.08911	0.3
109.10145	0.3
110.09678	0.6
119.08604	0.9
120.08099	0.7
121.10116	0.5
122.09695	1.7
124.11262	0.5
131.28436	0.3
134.09625	0.5
136.11214	37.8
137.11502	1.4
138.12781	0.6
145.10126	0.4
148.11200	0.6
150.09169	0.7
150.12747	0.9
151.13559	0.5
162.12788	1.4
164.14381	0.7
168.10164	0.6
176.05145	0.3
176.14388	0.4
178.15901	1.1
179.16283	0.3
180.17490	1.0
182.11732	0.5
188.14345	0.3
190.15918	1.4
190.82198	0.3
192.17488	0.6
204.17450	0.7
206.19078	1.9
216.13699	0.3
217.13293	0.3
220.13344	0.3
229.15453	0.4
229.92999	0.3
234.14920	2.0
235.15627	0.7
236.16458	2.6
250.17905	0.3
257.10358	0.5
264.19473	0.6
274.18066	0.9
276.19614	0.4
278.17542	1.0
302.21030	2.6
330.24286	0.3
348.25528	0.6
358.23691	0.5
376.24796	100.0
377.25177	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	376.2483
Annotation	Tuberostemonine B
Peak:m/z	Relative Intensity
55.01878	0.7
55.05507	0.5
67.05498	1.4
69.03424	1.4
69.07061	0.5
70.06593	1.2
71.05020	0.4
79.05504	1.1
80.05019	1.0
81.03387	0.4
81.07047	1.1
82.06597	0.7
83.08624	0.4
84.08125	0.4
85.02892	0.8
86.09681	0.5
91.05489	1.1
93.07037	1.2
95.04988	2.4
95.08623	1.7
96.08130	1.5
99.04459	0.7
100.07603	0.8
105.07021	1.4
107.08604	1.0
108.08105	1.2
109.06507	0.5
109.08901	0.4
109.10179	0.6
117.07052	0.5
119.08595	1.3
120.08121	0.8
121.10159	0.5
122.09673	4.2
124.07616	0.5
124.11240	1.5
125.06018	0.6
127.03871	0.4
128.07077	0.6
131.08566	0.9
132.08110	1.3
133.10146	1.9
134.09650	1.5
135.11734	0.4
136.07594	0.8
136.11218	31.9
137.05954	0.4
137.11639	1.2
138.09106	0.5
142.08609	0.5
143.08453	0.4
145.10112	1.0
145.57257	0.3
146.09660	0.6
147.11713	0.9
148.11172	2.0
150.09146	3.7
150.12758	0.4
159.11670	0.9
161.13179	0.5
162.12805	1.0
163.13686	0.3
164.10699	0.4
164.14328	2.1
173.13277	0.6
174.12811	1.4
175.14853	0.4
176.14325	1.3
179.10663	0.6
182.11755	0.8
188.14333	0.4
190.12291	1.3
190.15941	0.9
192.13850	5.6
193.14217	0.5
197.11713	0.8
208.13156	0.5
210.11188	0.8
210.14807	0.3
211.14565	0.4
222.11250	1.1
232.16975	5.5
233.17456	0.4
234.14882	1.1
235.15576	0.8
236.12840	2.9
236.16418	2.0
250.18050	2.6
262.18021	3.4
278.17511	33.1
279.17892	2.4
288.19382	0.4
302.21127	2.2
307.91351	0.4
330.20712	0.8
345.72287	0.4
348.21552	0.9
358.24188	0.3
368.21640	0.4
376.20944	22.6
376.24826	100.0
377.21259	3.0
377.25192	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	376.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
56.05025	0.8
67.05489	1.4
69.03429	1.5
69.07097	0.6
69.39098	0.8
69.39509	1.6
70.06592	6.0
71.04988	0.7
72.39977	0.5
79.05494	0.9
81.07054	1.6
82.06568	0.8
84.08147	1.1
85.02895	1.1
86.09704	4.2
91.05490	2.4
92.05806	0.5
93.07044	1.9
95.04969	1.8
95.08618	1.5
96.08151	2.2
98.06062	0.5
99.04411	0.8
100.07596	1.1
102.03748	0.9
104.05315	1.3
105.07041	2.2
107.08596	1.3
108.08167	0.5
109.06516	0.9
109.10131	0.5
110.09708	0.4
111.05138	0.6
111.91575	0.4
116.07105	1.1
117.06993	1.1
119.08577	2.2
120.08113	2.9
122.09659	2.4
124.07616	0.5
124.11270	1.2
126.09145	0.7
128.07091	1.2
131.08575	1.7
132.08131	1.1
133.10114	2.9
134.09636	1.4
136.07626	0.6
136.11215	13.8
136.12248	0.9
137.06027	0.6
142.08627	1.4
145.10138	1.8
146.09657	0.5
147.11679	1.4
148.11287	0.7
150.09088	2.2
157.10147	0.4
159.11707	1.1
160.11272	0.6
161.13319	1.1
162.12866	0.7
164.14369	1.0
168.10246	0.5
172.11319	0.5
173.13295	1.0
174.12639	0.6
175.14784	0.7
176.14355	0.5
181.71750	0.4
182.11774	0.8
183.14984	0.9
187.14838	0.7
190.12337	1.2
190.15944	0.5
192.13824	3.3
199.15115	0.4
205.23822	0.4
211.14642	0.7
215.12146	1.7
217.13657	0.9
218.11627	0.6
222.11292	0.9
232.16893	3.3
234.14803	0.5
236.12831	1.8
236.16415	1.0
237.16620	0.6
250.17998	1.4
262.18073	1.9
278.17517	21.3
279.17737	1.9
280.25928	0.4
302.21182	3.2
330.20670	0.6
376.20981	17.3
376.24820	100.0
377.21326	2.1
377.25192	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	376.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.2
55.05501	26.7
57.07063	6.6
60.09631	6.1
67.05505	53.1
69.07062	14.0
71.04633	9.4
71.04997	100.0
71.08625	14.2
79.05511	13.1
81.07058	61.9
83.08621	16.4
85.06535	9.8
91.05476	10.7
93.07038	44.6
95.04955	7.6
95.08602	28.7
97.06556	9.5
97.10172	19.3
99.08099	20.3
105.07079	9.1
107.08598	20.9
109.10160	30.9
111.08076	6.5
121.10118	13.5
121.29984	6.4
125.09631	24.0
131.08549	14.5
133.10153	11.3
135.11725	19.9
149.13295	19.0
151.11218	6.7
155.10652	8.7
159.11714	18.2
173.11752	39.9
177.12811	23.5
187.13300	27.2
203.12868	12.6
209.15370	13.6
220.01414	7.1
241.17914	62.5
265.95029	6.6
277.21680	20.9
309.24271	13.7
376.20950	11.2
376.25491	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30995	1.0
52.78833	1.0
55.01875	1.7
55.05513	1.2
58.32348	1.0
60.16537	1.0
65.47588	0.9
66.24867	1.1
67.05519	5.7
68.05833	1.4
69.03415	3.0
69.10624	5.6
70.06596	1.9
79.05486	4.1
80.05013	1.6
80.05836	2.6
81.07047	8.0
82.07382	4.3
83.07735	1.1
84.08181	1.3
85.08496	1.3
91.05498	3.5
92.05820	1.7
93.07038	2.0
95.08595	9.6
96.08147	3.8
96.08911	5.5
97.02889	1.5
97.08427	2.0
105.07056	3.7
106.07454	1.1
107.08560	4.9
108.08217	0.9
108.08939	2.9
109.06541	2.8
110.06877	1.8
110.09727	2.0
111.10099	1.2
112.04768	1.6
121.06465	0.9
122.09673	2.1
123.04433	8.3
124.04777	5.6
124.11237	2.2
125.04901	3.0
125.09616	1.1
125.11543	2.4
125.15920	1.1
127.00025	7.3
135.08041	2.3
136.08391	2.8
136.11200	2.4
137.05974	4.3
138.06274	5.2
138.12785	5.7
139.06529	3.2
139.13173	5.4
140.13484	2.4
152.10730	2.8
153.11061	2.3
153.24997	1.1
164.14307	1.5
165.14685	1.9
170.11783	1.3
229.12054	7.5
273.11011	16.7
283.10541	1.1
291.12006	7.1
301.19855	3.1
302.20187	4.9
303.20560	2.1
304.22650	1.3
333.13135	11.8
376.23917	100.0
377.12082	72.1
377.24191	70.6
378.12625	5.4
378.26544	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	377.121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57630	1.6
55.05528	1.6
56.82561	1.4
57.18729	1.3
64.38126	1.3
67.05518	1.3
69.03398	1.4
70.70900	3.2
79.05516	2.6
81.07043	2.5
83.04966	1.8
87.87093	1.4
91.05509	2.5
91.39880	1.3
95.08605	1.5
105.07030	4.7
107.08622	3.9
109.06461	1.6
127.00056	15.3
145.10165	2.1
148.03064	1.5
185.04254	1.5
195.69983	1.4
216.10252	1.6
229.11986	17.2
273.11002	21.0
289.14117	3.7
291.12054	7.1
333.13055	22.3
366.12421	1.5
376.24109	5.7
377.12061	100.0
377.24820	3.6
378.12314	7.9
378.26523	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	377.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68644	1.6
69.69020	1.5
77.32699	0.6
79.05441	0.8
83.01089	0.9
91.05482	1.1
94.31637	0.6
105.07056	1.7
107.08630	0.8
127.00057	6.5
131.78574	0.9
180.26231	0.8
229.12022	7.6
236.11409	0.8
273.10971	20.1
274.11313	1.9
289.14078	1.3
291.12018	5.7
333.13098	15.1
334.13379	1.3
377.12051	100.0
378.12387	6.9
397.41312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.66041	0.4
51.10896	0.4
53.03950	1.8
55.01866	0.5
57.03439	7.8
59.04982	0.6
60.89574	0.4
61.02927	3.1
69.03429	13.9
69.94814	0.6
69.95143	0.6
70.06543	0.5
71.01350	2.3
71.04994	4.0
73.02926	2.3
75.04485	1.9
81.03021	0.4
81.03415	4.3
85.02894	0.9
86.03544	0.7
87.04417	0.4
91.05447	0.4
94.06528	0.5
97.02870	0.5
99.04453	5.4
105.06989	0.4
117.05490	1.1
120.08109	0.4
127.03935	0.7
130.06535	0.5
131.22289	0.4
137.05998	0.8
145.07623	1.9
150.35585	0.4
159.09225	0.8
160.10713	0.4
164.14299	0.4
170.07150	1.4
172.08698	26.4
173.09062	1.1
175.08604	0.6
190.09747	1.3
197.09602	0.5
198.06650	5.5
198.09837	0.4
199.06857	0.4
200.08195	5.1
214.09782	0.6
216.07680	13.9
217.08069	0.6
243.08778	66.9
244.06949	0.7
244.09227	3.7
278.11398	0.5
279.17917	0.6
309.58887	0.4
316.12897	0.6
318.10815	0.6
318.17047	0.5
320.18799	0.7
359.13593	3.0
376.21243	1.0
377.14557	100.0
377.21286	2.6
378.15021	6.7
378.22824	4.9
388.70465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	12.8
69.07070	0.8
69.30662	1.7
69.31070	0.8
71.08630	11.1
83.08627	0.8
85.10183	6.4
87.04446	0.5
88.65788	0.4
89.06034	11.0
99.11723	0.6
102.77805	0.4
107.07053	0.6
113.13304	0.5
129.01813	0.8
130.19563	0.4
133.08586	4.4
165.58417	0.5
177.11235	1.2
195.12279	7.1
195.14020	0.5
246.23442	0.4
253.33426	0.4
279.54871	0.4
320.18488	0.5
377.26608	100.0
378.15179	0.6
378.22723	1.0
378.26950	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	378.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58199	0.3
70.06583	0.3
74.98354	0.3
79.23061	0.3
81.07045	0.4
87.33981	0.3
91.05476	0.6
93.07015	0.4
98.23533	0.6
105.03335	0.4
107.04957	0.4
116.04984	0.7
117.05733	0.4
120.04500	1.5
124.65930	0.3
128.04962	1.2
129.04500	2.0
130.04022	0.5
131.06017	0.4
132.04460	6.2
133.02870	2.5
134.06044	1.1
136.85428	0.3
137.06003	0.4
144.04466	0.3
145.05190	1.8
146.06071	1.6
147.04515	0.3
147.05518	1.7
155.06088	0.6
156.04475	0.4
160.03955	0.6
160.07527	0.6
165.05486	1.2
170.04790	1.1
171.05525	1.3
172.03944	45.3
173.04468	2.0
187.05031	2.8
190.05020	1.4
198.06651	0.4
199.05057	2.8
201.06664	0.5
213.06476	0.4
232.06096	1.8
232.08249	0.4
245.07185	0.5
272.08191	0.4
272.26123	0.4
273.09039	0.5
290.09311	0.4
300.07687	9.5
301.08456	34.7
302.08844	2.0
318.08719	1.5
332.10248	1.0
360.09802	100.0
361.10080	8.7
378.11032	1.6
378.22614	1.1
378.26465	1.4
378.32111	0.5
383.67261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95361	1.3
53.03954	1.8
54.98635	1.3
55.01873	1.7
57.43111	1.3
57.99242	1.4
58.04314	1.4
61.02923	2.1
65.03927	1.8
67.05482	2.1
67.44166	1.5
69.03424	6.2
70.58468	3.0
71.04987	1.7
72.08147	1.6
79.05502	1.4
81.03423	1.9
83.81960	1.4
85.02906	15.8
93.66200	1.4
95.04975	19.3
97.02888	4.9
105.04540	3.4
112.65491	1.3
123.04438	17.1
125.02358	4.8
127.03928	2.4
137.05966	9.9
140.04683	93.4
145.04945	2.9
151.64444	1.4
155.07027	43.9
163.03915	1.8
167.03383	2.2
173.08112	3.5
180.08673	6.3
181.04982	13.6
181.08586	2.0
189.54381	1.7
199.06009	100.0
200.06395	3.4
216.05698	2.0
298.17706	4.5
320.18463	2.0
334.20126	1.7
351.26849	1.6
360.17822	7.3
378.08743	24.3
378.14832	3.5
378.18863	9.6
378.22806	5.1
378.26712	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	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03398	0.3
69.49084	0.8
70.13905	0.2
72.99098	0.2
79.05495	0.5
81.49078	0.2
84.08145	0.4
85.02899	0.4
89.03904	0.2
90.04662	0.3
91.05466	0.8
95.04976	0.6
98.22669	0.4
106.04208	0.4
107.04942	0.5
109.06516	0.3
120.05733	0.6
123.04399	0.9
136.05203	0.6
137.05975	2.6
138.06784	1.4
148.05196	10.5
148.06387	0.5
149.05553	0.2
151.03891	0.7
161.14192	0.2
165.05583	0.4
166.06169	0.3
171.07703	0.3
181.08598	100.0
182.08949	3.9
184.07239	0.3
198.24863	0.2
219.07941	0.2
230.04146	0.2
269.68604	0.3
296.25381	0.2
296.88043	0.2
306.12164	0.2
320.18546	2.5
378.22809	3.6
379.23138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2278
Annotation	HQL-79
Peak:m/z	Relative Intensity
55.05499	1.2
55.10092	0.3
55.22708	0.4
57.03434	0.6
69.03431	12.8
69.14716	2.2
70.06586	1.2
71.04990	2.0
77.04352	0.4
79.05477	1.0
80.05015	1.5
81.07047	1.0
82.06573	1.0
83.04993	1.5
83.08635	0.5
84.04498	0.3
84.08144	0.5
85.02906	0.7
85.06573	0.4
87.04459	1.7
91.05479	0.5
93.07057	0.8
94.06561	3.2
95.04979	0.9
95.08603	1.0
96.08127	0.9
97.02890	0.3
97.06512	0.9
98.06071	0.5
98.23497	0.7
99.04468	2.2
105.07031	0.8
106.06567	0.4
107.08584	0.9
108.08136	0.7
109.06503	0.9
111.08101	1.4
112.07561	0.4
115.03933	1.4
119.08637	0.5
120.08102	1.3
122.09694	1.3
123.08040	2.7
125.09626	2.6
127.03904	0.5
132.08060	0.4
134.09659	0.8
135.08070	0.5
136.11208	0.8
137.05983	0.8
137.09659	0.4
138.09148	0.4
138.12776	0.4
139.09952	0.3
140.10696	1.3
146.09663	0.7
148.11244	0.5
152.10666	0.6
153.09143	1.5
154.12288	1.6
160.11040	0.3
162.12862	0.8
163.00706	0.4
163.13571	0.6
165.09181	0.4
166.12338	0.4
174.12842	0.9
175.11221	0.9
176.14340	0.5
182.11826	0.4
190.15842	0.6
193.12234	1.2
204.13855	0.4
205.08730	0.4
206.15439	1.2
221.11768	1.0
232.16943	0.8
234.18610	1.0
239.12773	4.7
262.18082	0.4
264.19577	0.4
280.18240	0.5
290.17575	0.4
320.18552	1.2
332.15311	0.5
360.21707	1.2
378.22760	100.0
379.09915	3.3
379.18930	0.6
379.23175	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	378.264
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
50.05179	0.1
51.34477	0.1
55.01869	0.2
55.05505	0.8
56.05038	0.6
57.03445	0.2
61.47259	0.1
66.47150	0.2
67.05509	1.2
69.03430	0.3
69.07063	0.4
70.05883	0.1
70.06590	0.7
71.04980	0.4
77.03914	0.2
79.05492	0.8
80.05022	0.4
81.07063	1.3
83.08611	0.3
84.08131	0.8
85.06531	0.2
89.11862	0.1
91.05482	0.5
93.07040	1.4
94.06571	0.5
95.07296	0.2
95.08607	2.0
96.08131	1.0
97.08893	0.3
97.10172	0.3
98.05981	0.2
99.04453	0.5
100.00669	0.1
105.07034	0.8
107.08598	1.5
108.08121	0.3
109.10149	0.5
110.09696	1.0
112.07586	0.3
117.07022	0.2
119.08561	0.7
119.57145	0.2
121.10123	0.7
122.09673	1.2
123.08030	0.2
123.10483	0.2
123.11784	0.2
124.07596	0.2
124.11230	0.4
126.09181	0.2
128.07034	0.2
131.08546	0.4
133.10112	0.4
134.09697	0.3
135.10379	0.1
135.11662	0.4
136.11211	3.4
137.09636	0.2
137.11972	0.2
138.09065	0.2
138.12781	0.6
142.08670	0.4
145.10106	0.5
147.11688	0.4
148.11209	0.5
150.09123	0.7
150.12798	2.2
151.13551	0.7
152.10678	0.4
159.11694	0.3
161.13287	0.3
162.12776	0.9
163.13551	0.3
164.14354	1.5
168.10228	0.6
173.13242	0.2
182.11795	0.6
184.13356	0.5
188.14352	0.1
190.15868	0.2
192.17494	0.3
208.13290	0.3
218.15262	0.3
222.14917	0.3
224.16286	0.2
236.16483	1.9
238.17970	0.4
264.19592	0.4
278.21021	0.8
295.09747	0.1
304.22705	7.8
305.23010	0.5
332.25784	0.5
350.27100	0.1
360.25558	0.7
378.26364	100.0
379.26709	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	378.2641
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
50.15923	0.2
55.05506	0.8
56.05030	0.6
58.83358	0.2
60.91289	0.2
61.26094	0.2
67.05505	0.9
69.03429	0.2
69.07060	0.6
70.06583	1.1
75.18171	0.2
79.05486	0.8
80.05010	0.5
81.07060	1.5
82.06580	0.5
84.08138	0.7
91.05489	0.4
93.07043	1.3
94.06558	0.4
95.08611	2.0
96.08149	1.0
97.06508	0.3
97.10168	0.4
97.57838	0.2
98.06075	0.2
98.23531	0.5
99.04448	0.6
100.07618	0.3
105.07052	0.8
107.08630	1.0
108.08102	0.3
109.10152	0.6
110.09684	1.1
115.43341	0.2
117.07002	0.2
119.08588	0.4
120.08109	0.2
121.10149	0.5
122.09653	1.3
123.10438	0.2
124.11242	0.5
128.07059	0.2
131.08595	0.3
133.10132	0.5
134.09659	0.5
135.11685	0.4
136.11218	3.6
137.11958	0.3
138.12813	0.4
142.08659	0.5
145.10086	0.4
147.11707	0.4
148.11198	0.5
150.09181	1.0
150.12782	2.7
151.13571	0.5
152.10776	0.2
159.11769	0.3
161.13290	0.3
162.12796	0.7
163.13548	0.2
164.14384	1.1
165.90656	0.2
168.10245	0.6
176.14316	0.2
176.25937	0.2
182.11783	0.4
184.13264	0.4
190.15881	0.2
222.14944	0.4
234.14969	0.3
236.16484	1.5
238.17934	0.4
264.19611	0.3
278.21075	0.8
304.22711	7.2
305.23093	0.6
332.25955	0.5
360.25323	1.0
378.26376	100.0
379.26691	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	378.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
55.05518	0.9
56.05024	0.7
57.07083	0.2
60.21607	0.2
63.24732	0.2
63.66765	0.2
66.40379	0.1
67.05509	1.6
68.94033	0.2
69.03442	0.4
69.07051	0.3
70.06591	1.1
70.64241	0.2
71.04990	0.5
79.05489	0.8
80.05002	0.5
81.07068	1.3
82.06568	0.4
83.08595	0.2
84.08141	0.8
85.06527	0.2
91.05492	0.7
93.07055	1.3
94.06570	0.7
95.04923	0.2
95.08601	2.2
96.08147	1.1
96.08710	0.2
97.08940	0.3
97.10154	0.3
98.06134	0.2
98.09665	0.3
99.04456	0.3
101.48717	0.2
105.07009	0.9
107.08601	1.0
108.08154	0.4
109.10134	0.5
110.09675	1.0
119.08563	0.5
120.08105	0.3
121.10152	0.8
122.09688	1.2
123.11673	0.2
124.07603	0.3
124.11223	0.4
125.05966	0.2
131.08553	0.4
133.10123	0.5
134.09668	0.5
135.11699	0.2
136.11212	4.1
138.12785	0.8
142.08652	0.5
145.10124	0.5
147.11690	0.4
148.11183	0.5
150.09154	1.3
150.12782	2.1
151.13567	0.5
152.10648	0.2
153.61299	0.2
159.11620	0.2
161.13199	0.2
162.12801	0.9
164.10654	0.3
164.14354	1.2
168.10201	0.7
171.11794	0.2
176.14278	0.2
182.11784	0.6
184.13374	0.3
190.15846	0.3
192.17525	0.4
196.13383	0.3
218.15555	0.2
222.14882	0.4
234.14914	0.3
236.16432	1.9
237.16769	0.2
238.17972	0.4
278.21207	0.8
304.22696	8.1
305.23169	0.5
319.66898	0.2
332.25748	0.4
350.23108	0.3
360.25354	1.4
378.26389	100.0
379.26740	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	378.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15573	0.2
54.00853	0.1
55.01890	0.2
55.05508	1.0
55.05737	0.2
56.05031	0.5
57.03432	0.3
57.22539	0.2
62.23670	0.2
67.05496	1.0
69.03416	0.2
69.07070	0.5
69.65825	0.5
69.66169	0.2
70.06588	0.7
70.50460	0.2
71.04991	0.6
79.05490	0.9
80.05028	0.5
81.07069	1.2
82.06582	0.2
83.08623	0.4
84.08157	0.9
84.23308	0.1
91.05486	0.6
93.07043	1.6
94.06569	0.5
95.04992	0.3
95.08617	2.0
96.08137	1.2
97.06548	0.2
97.10172	0.3
98.09710	0.3
99.04472	0.7
104.45924	0.2
105.07027	0.7
106.56895	0.2
107.08598	1.2
108.08096	0.3
109.10167	0.7
110.09711	0.8
112.07608	0.3
114.09185	0.2
117.48158	0.2
119.08588	0.8
120.08170	0.2
121.10161	0.5
122.09673	1.4
123.08070	0.3
123.10537	0.2
123.11684	0.2
124.07603	0.3
124.11242	0.3
124.96189	0.2
131.08589	0.4
133.10138	0.7
134.09671	0.3
135.11684	0.3
136.11217	3.7
137.12019	0.4
138.12778	0.6
142.08646	0.3
145.10095	0.5
146.09596	0.2
147.11739	0.5
148.11209	0.5
150.09138	0.9
150.12787	2.4
151.13528	0.6
159.11678	0.2
161.13266	0.3
162.12791	1.0
164.10690	0.2
164.14346	1.3
168.10225	0.7
173.13257	0.2
182.11812	0.4
184.13327	0.3
190.12477	0.2
190.15913	0.4
192.17494	0.2
202.12428	0.2
208.13335	0.2
222.14883	0.4
234.14963	0.3
236.16460	1.9
238.18021	0.3
264.19763	0.2
278.20969	0.8
304.22720	7.5
305.23108	0.5
332.25790	0.4
350.23132	0.3
360.25354	1.0
378.26382	100.0
379.26715	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	378.3006
Annotation	Madangolide
Peak:m/z	Relative Intensity
53.03929	0.8
53.22916	0.7
57.07077	6.5
58.06595	1.9
63.59803	0.6
65.89468	0.6
66.08691	0.6
69.07064	0.7
70.06593	16.7
70.60693	1.5
70.79888	0.6
71.08618	3.0
77.03896	1.0
78.02130	0.7
84.08147	0.8
85.10178	1.1
88.07632	21.2
88.08187	1.0
92.89283	0.7
95.04977	3.5
95.49007	0.7
102.09175	15.7
105.03393	62.1
105.04520	2.1
105.07029	1.2
106.03721	1.3
149.05980	99.4
150.06322	3.4
227.13237	1.0
244.14481	0.7
245.14259	2.9
256.26352	64.3
257.26736	4.0
337.20636	1.1
355.21478	4.6
378.22458	2.9
378.30054	100.0
379.30389	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	379.1577
Annotation	Abafungin
Peak:m/z	Relative Intensity
56.05037	0.4
56.96553	0.9
57.03434	0.4
60.05645	0.4
67.05489	0.4
69.03419	1.3
70.06584	0.5
71.04963	0.3
72.65205	0.3
74.06073	0.9
81.03422	0.3
82.00386	0.3
83.04979	0.4
84.08125	0.4
85.02895	2.0
85.06535	0.7
95.04973	0.7
97.02894	0.9
98.97543	0.7
109.02870	0.4
109.10213	0.4
116.98641	0.9
123.04479	0.4
127.03916	0.9
132.10246	0.3
136.86678	0.3
137.05965	1.2
140.04681	1.0
141.05048	1.1
145.04970	0.4
155.07059	0.6
173.01253	0.6
182.05307	0.7
182.11768	0.7
183.12077	0.5
199.05995	1.1
199.09685	0.7
200.06367	1.2
217.10490	9.4
217.12584	0.6
218.10823	0.5
218.39384	0.3
233.14963	1.1
235.01436	0.5
259.01328	0.5
361.21967	1.3
379.15732	100.0
380.16241	6.6
380.20789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46712	0.3
56.05039	0.3
58.08947	0.3
62.93375	0.3
69.03417	0.4
69.07060	0.5
69.60299	0.6
69.60689	0.6
70.06590	2.2
71.04984	0.6
72.08141	0.3
81.03392	0.3
84.04476	0.3
84.08141	3.0
84.32355	0.2
85.06502	0.3
87.70003	0.3
110.07095	0.3
113.06012	3.3
113.22399	0.2
115.08694	0.3
116.07076	0.5
119.03547	0.4
120.08100	0.4
136.06194	1.0
136.07471	0.2
148.06180	3.0
154.56998	0.3
159.06682	0.6
160.06166	1.2
161.08182	0.3
162.10255	0.8
167.05635	0.9
168.04112	0.3
171.06650	2.1
173.06978	1.1
188.09315	23.0
189.09627	0.8
190.09737	0.9
207.12491	0.4
213.12332	0.4
216.08836	2.3
235.11836	0.3
248.11429	100.0
249.11771	4.5
251.11334	0.4
268.14023	0.4
311.03238	0.3
364.19821	1.4
380.15634	16.9
381.07895	2.4
381.15826	1.5
381.22287	2.7
385.14288	0.3
396.94324	0.3
398.97256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01862	2.1
57.03439	4.9
61.02928	6.1
67.05518	1.4
69.03431	19.1
69.07068	22.7
69.25593	2.3
69.26000	3.6
69.33184	1.0
71.04988	2.8
73.02909	5.8
73.95053	0.9
74.87271	0.7
81.03420	12.6
85.02906	74.7
87.04468	21.8
91.03940	5.0
97.02896	21.1
99.04439	5.3
101.02383	2.0
103.03951	2.5
108.04502	1.0
109.02874	9.2
111.08088	1.4
115.03929	100.0
116.04246	2.5
127.03912	37.3
133.04967	51.5
134.05286	1.3
139.29471	0.8
145.04958	55.8
146.05312	1.4
163.06035	11.3
181.07184	1.2
187.05952	1.1
208.03062	0.9
213.11269	1.5
241.07098	1.4
259.08136	13.7
277.09180	30.9
278.09473	1.6
288.28082	1.0
348.15329	0.9
380.27499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
57.03460	0.4
67.05512	0.6
68.05035	0.5
69.03424	4.0
69.07059	0.3
71.04628	0.4
71.04996	5.2
71.08620	0.4
71.44100	0.3
74.47269	0.2
79.05488	1.1
81.07054	5.2
82.61898	0.3
83.04961	0.3
85.02917	0.4
85.06535	0.6
86.06055	1.3
87.04475	0.3
91.05508	0.5
93.07050	0.8
96.05786	0.4
96.08160	0.4
97.02864	0.6
97.06543	0.6
99.04464	2.5
100.07615	5.8
105.07004	0.8
107.08600	2.2
109.06516	3.2
111.08083	4.3
113.09602	0.4
114.12747	0.3
119.08577	0.6
120.08088	0.8
121.00153	0.2
121.06557	0.3
121.10139	0.3
122.09671	0.4
123.08073	1.7
124.08862	0.8
124.11233	1.8
134.09630	0.3
135.08051	0.8
136.07507	0.3
136.11234	0.4
137.05981	16.3
138.06322	0.5
138.12755	0.7
141.09103	8.7
142.12263	2.2
146.09641	0.5
147.08026	0.3
147.11604	0.3
152.05635	1.2
156.13846	2.7
160.12454	0.3
165.09135	0.3
168.10255	0.3
172.11201	0.4
175.11186	0.8
176.14330	0.6
189.15121	0.6
190.15970	0.4
192.13887	0.5
203.10736	0.5
204.13794	0.3
208.17004	0.3
216.17456	0.6
221.11670	4.3
228.17459	1.4
246.18607	3.0
282.20697	1.7
344.22195	3.0
345.22415	0.4
362.23282	7.4
363.23358	0.5
365.50500	0.3
380.24304	100.0
381.24670	8.7
383.60565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02741	0.8
51.91829	0.9
53.66221	0.9
62.98532	1.1
66.92827	0.9
69.63578	2.3
81.63386	0.9
96.78648	1.0
98.23363	1.8
201.01630	2.5
219.02641	3.4
381.07935	100.0
382.08243	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	381.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01878	2.3
55.05516	3.0
57.03440	4.0
61.02925	5.2
61.64614	1.1
69.03436	18.0
69.07067	6.7
69.39872	5.3
71.04984	2.2
73.02910	2.8
81.03418	9.4
85.02903	60.8
86.03254	1.7
86.39868	1.0
87.04466	23.1
87.08107	5.5
91.03955	2.3
97.02900	19.0
97.10181	3.7
98.23452	2.6
99.04459	3.9
103.03957	1.5
105.01839	2.6
105.09155	2.0
109.02882	10.1
109.10147	1.2
115.03930	100.0
115.11205	3.5
116.04311	1.9
127.03911	32.9
128.04323	1.3
133.04968	21.9
133.05923	1.6
137.02318	1.2
145.04956	29.2
157.05046	1.3
163.06032	6.2
209.34778	1.1
259.08112	9.4
277.09189	11.9
305.70984	1.2
338.23529	1.9
364.21411	3.3
381.12750	8.3
381.20337	2.4
381.24731	4.0
382.22037	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	381.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99772	0.6
55.05510	0.6
56.66025	0.5
56.96577	0.8
58.11173	0.6
61.61271	0.5
62.99727	0.5
67.05502	1.5
68.91920	0.6
69.07067	0.7
71.05017	0.7
80.94826	0.9
81.07044	1.9
89.80074	0.7
91.05478	0.7
93.07053	1.1
95.08601	1.7
98.97591	0.7
105.07032	0.7
109.10164	1.0
113.46219	0.6
114.73582	0.6
121.10139	0.9
149.09482	0.7
212.11223	0.6
216.59039	0.5
236.20869	1.0
238.16052	0.6
253.23564	0.7
289.21625	0.9
309.15942	0.6
335.27780	1.5
363.27176	3.9
381.26123	100.0
382.26416	9.2
385.41922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01878	1.4
55.05511	20.4
56.05851	0.3
56.20041	0.2
57.03439	2.7
57.07075	18.3
58.07385	0.5
59.05001	0.8
60.03329	0.3
62.10427	0.3
65.03941	1.0
67.05502	24.3
68.05814	0.5
69.03420	0.6
69.07065	30.2
69.84164	0.7
70.07400	0.6
71.04996	1.8
71.08628	11.3
73.06542	0.7
73.98741	0.2
79.05489	10.1
79.20767	0.2
81.07053	31.4
82.07381	0.6
83.04981	2.6
83.08618	24.1
84.08988	0.3
85.06538	1.6
85.10175	6.2
87.04478	0.3
87.08106	0.3
91.05470	2.5
93.07040	15.1
94.07400	0.6
95.04954	0.5
95.08602	31.5
96.08946	0.9
97.06525	7.5
97.07114	0.5
97.10167	14.4
98.10502	0.4
98.23327	0.3
99.08104	1.2
99.11753	0.3
99.14358	0.3
101.06016	0.9
105.04517	0.3
105.07000	1.2
107.08592	10.0
108.08920	0.4
109.10151	15.4
110.10485	0.5
111.08076	4.9
111.11713	4.0
113.09650	0.4
115.07578	1.2
117.05481	0.8
119.08600	1.1
121.10139	14.3
122.10434	0.4
123.08009	0.3
123.11697	6.8
124.12108	0.3
125.09612	4.7
125.10499	0.3
125.13278	0.8
129.09120	1.0
131.08580	0.6
133.10130	1.1
135.11682	10.7
136.12077	0.3
137.13239	2.0
139.11182	3.4
143.10670	1.1
145.10071	0.2
147.11697	0.8
149.13251	5.8
151.14825	1.0
153.12729	2.5
155.46556	0.2
157.12224	0.8
161.13284	0.4
163.14809	2.7
165.16409	0.8
167.14307	1.8
171.13774	0.7
173.13300	0.2
175.14825	0.8
177.16393	2.3
179.17885	0.6
181.15851	1.5
185.15460	0.3
189.16342	0.9
191.17938	1.6
193.15860	0.4
195.17487	1.4
199.16803	0.5
205.19527	0.8
207.17371	0.5
209.19025	0.9
213.18477	0.6
219.21085	0.5
223.20529	0.5
237.18492	0.2
261.25778	3.0
262.26108	0.3
271.24307	0.4
273.50006	0.3
279.26794	3.7
289.25229	2.8
307.26291	4.9
308.26733	0.5
325.27475	0.6
343.28400	12.6
344.28738	0.9
381.29965	100.0
382.30280	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	382.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51972	0.4
55.01875	0.4
55.05497	0.6
57.03448	2.3
69.03413	0.8
69.07068	42.4
69.14953	2.9
70.07393	1.2
71.01347	0.6
73.02912	1.2
73.06551	3.1
75.04478	1.8
80.02123	0.5
81.07050	0.5
85.02898	5.4
95.01327	4.1
97.02879	1.4
97.06532	23.8
98.22623	0.7
99.00816	0.8
107.08601	0.6
110.64785	0.4
113.02345	2.3
115.03929	1.3
115.07569	100.0
116.04242	0.4
116.07906	1.8
119.08565	0.6
127.03912	1.1
141.01833	8.6
145.04942	0.6
159.02902	1.8
171.10121	1.0
189.11217	19.7
190.11731	0.6
215.05443	1.1
220.16998	0.7
233.06648	1.5
255.08733	0.5
338.23184	1.1
347.13306	2.5
364.21115	3.4
382.21945	9.3
383.22443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.07065	2.4
59.04994	2.3
67.05503	1.5
67.45167	0.8
69.03413	1.8
69.07061	3.0
69.57893	0.8
70.02960	2.4
71.08607	1.0
72.04521	7.3
73.02910	2.5
83.04968	1.1
85.02919	4.3
85.06554	5.7
86.09688	1.7
87.05743	0.8
87.08099	1.2
90.05559	59.7
95.04977	3.7
98.02418	7.2
100.03962	1.9
103.07574	3.7
104.27570	0.8
113.06017	2.2
116.03464	7.2
120.08163	1.1
123.08185	0.9
124.07592	9.0
131.07156	0.9
132.03676	0.8
142.08652	3.8
142.66103	0.8
166.08652	1.2
174.11288	2.3
180.76028	0.9
184.09715	13.5
185.04169	2.3
185.08165	1.2
202.10745	20.8
220.11801	100.0
221.12172	3.6
243.01772	1.3
261.02881	1.3
287.01846	0.8
382.18170	1.3
382.22290	3.1
383.09415	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	382.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51972	0.4
55.01875	0.4
55.05497	0.6
57.03448	2.3
69.03413	0.8
69.07068	42.4
69.14953	2.9
70.07393	1.2
71.01347	0.6
73.02912	1.2
73.06551	3.1
75.04478	1.8
80.02123	0.5
81.07050	0.5
85.02898	5.4
95.01327	4.1
97.02879	1.4
97.06532	23.8
98.22623	0.7
99.00816	0.8
107.08601	0.6
110.64785	0.4
113.02345	2.3
115.03929	1.3
115.07569	100.0
116.04242	0.4
116.07906	1.8
119.08565	0.6
127.03912	1.1
141.01833	8.6
145.04942	0.6
159.02902	1.8
171.10121	1.0
189.11217	19.7
190.11731	0.6
215.05443	1.1
220.16998	0.7
233.06648	1.5
255.08733	0.5
338.23184	1.1
347.13306	2.5
364.21115	3.4
382.21945	9.3
383.22443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34797	0.9
51.75763	1.0
53.03937	3.5
55.01870	3.2
55.05510	1.5
55.16230	0.9
57.03435	5.2
59.04998	1.0
61.02927	8.8
67.05502	1.2
69.03425	28.7
69.95465	3.2
70.06634	1.1
71.04987	4.4
71.05350	0.9
73.02908	9.3
81.03413	19.8
81.07018	1.3
83.04976	4.6
85.02904	100.0
86.03210	1.6
86.09702	0.9
87.04471	18.3
89.41882	0.9
91.03980	7.7
93.07058	1.7
95.08617	1.4
97.02893	28.4
99.04457	7.7
109.02879	12.8
115.03930	73.4
115.07529	1.0
116.04271	1.1
121.10095	1.3
125.07909	1.0
127.03916	45.1
133.04961	33.9
139.11150	2.9
145.04958	78.2
146.05307	2.1
157.04991	1.7
157.12248	2.7
163.05998	10.9
167.07037	1.7
167.10686	1.2
175.09651	1.6
181.07104	1.5
185.11729	1.5
187.06068	1.8
192.56963	1.0
197.08148	2.8
203.12708	2.7
205.06851	0.9
215.09108	2.0
241.07060	2.6
259.08130	15.3
277.09183	15.1
311.11343	1.5
329.12228	1.6
338.23254	1.9
364.21112	4.2
382.22116	14.8
382.26202	1.6
383.22760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25784	0.7
55.01867	2.2
55.05492	2.5
62.79390	0.8
67.05482	2.7
69.03420	2.3
69.07068	3.0
70.06591	1.0
70.31946	1.3
70.32292	1.6
71.04993	4.1
79.05512	4.3
81.07044	2.8
82.06563	1.0
83.04967	1.4
83.07368	4.3
85.02899	3.6
85.06542	1.7
86.06034	1.5
86.09695	1.2
87.04474	3.8
93.07027	5.1
95.08591	1.9
96.08122	1.7
97.06511	7.0
105.07049	1.6
107.08585	7.6
111.04447	1.6
113.06002	14.8
115.03928	2.2
119.08569	1.5
121.10133	7.8
123.08114	1.4
125.06017	3.8
125.09628	11.8
131.08553	4.1
131.76649	0.8
136.11217	0.9
137.09627	1.1
138.12787	2.8
139.11188	6.3
140.07079	1.1
147.08020	1.5
149.09608	6.6
152.10710	1.1
161.13257	0.9
167.09395	1.3
167.10693	13.6
167.12051	1.5
170.11804	1.9
176.26834	0.8
185.11728	24.5
185.13304	1.7
186.12273	1.0
203.12764	36.3
204.13145	2.0
205.15843	3.4
208.13338	1.7
232.16985	1.7
233.15392	1.6
250.18027	1.4
292.19052	6.8
294.20596	3.7
310.20154	10.1
320.22299	1.9
322.20096	1.9
336.21548	4.2
338.19327	1.1
338.23276	17.3
339.23740	1.4
364.21143	34.5
365.21573	2.1
382.22195	100.0
383.22592	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79345	1.0
53.03949	3.3
55.01860	6.9
57.03445	5.0
57.07082	3.5
61.02921	3.9
67.05476	1.5
68.99801	1.8
69.03433	36.8
71.04998	4.1
73.02908	6.4
81.03422	20.7
85.02908	100.0
86.03220	1.3
87.00834	38.5
91.03935	1.5
97.02895	31.1
97.03491	2.2
98.23511	2.8
99.04457	11.3
105.01872	72.8
108.04508	2.2
109.02882	24.8
115.46463	1.1
117.01868	2.0
117.05511	1.3
126.05511	1.6
127.03918	75.5
128.04243	2.2
129.01865	4.6
145.04964	35.9
147.02901	1.7
159.02904	14.0
175.07623	1.2
189.03923	4.2
213.03918	3.6
231.04996	25.3
248.07782	1.6
249.06085	8.7
382.15738	2.0
382.26047	2.0
383.20435	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	382.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77140	1.1
52.28424	1.3
53.03936	5.3
55.01878	8.5
55.05496	1.9
57.03439	6.5
59.04995	2.4
60.11712	1.3
61.02927	6.5
67.05492	1.5
68.99770	1.9
69.03429	35.8
70.69273	1.5
71.01323	1.4
71.04983	3.8
73.02903	4.6
81.02970	1.9
81.03420	23.8
81.07043	2.0
85.02906	100.0
86.03224	1.6
87.00829	47.0
87.04420	1.3
91.05477	1.5
97.02892	30.2
97.06522	2.1
99.04449	11.9
105.01871	64.2
105.07033	1.6
108.04499	2.1
109.02876	24.7
115.07555	1.6
116.51313	1.5
117.01857	2.4
123.04424	2.9
125.71922	1.5
127.03918	72.5
128.04239	2.1
129.01810	3.0
137.05965	3.0
145.04961	34.4
146.05185	1.5
147.02921	3.3
148.22604	1.5
149.02319	1.8
152.14656	1.2
159.02887	14.5
189.03909	4.3
189.08987	1.3
193.04926	3.4
213.03798	1.9
221.07924	1.5
231.04991	18.6
247.86606	1.4
249.06020	5.8
296.03250	1.3
381.72302	3.1
382.21310	10.9
382.71451	3.7
383.14737	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	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16385	1.7
53.03946	4.6
55.01886	3.7
55.05496	2.0
56.31761	1.4
57.03432	6.9
61.02921	4.9
67.05508	2.8
68.99805	1.5
69.03432	38.4
69.07075	2.1
71.04994	3.0
73.02929	4.5
74.45000	1.5
75.94437	1.6
79.05512	2.8
81.03429	21.9
81.07052	6.3
83.01328	2.4
85.02911	100.0
86.03271	3.5
87.00834	47.0
91.03945	1.4
91.05498	1.5
93.07050	4.4
95.08617	2.5
97.02893	36.7
97.06558	1.9
98.23473	3.1
99.04450	12.5
105.01871	86.8
105.07058	2.3
107.08612	2.5
108.04476	2.8
109.02882	33.3
109.06499	2.7
111.08062	1.5
123.04393	1.4
127.03918	75.2
128.04305	1.5
129.01862	2.4
129.05518	3.3
145.04973	35.8
147.02908	2.2
159.02882	10.5
189.04030	3.5
213.03935	2.5
231.04987	23.3
249.06009	7.8
364.21368	1.6
374.23175	3.0
375.23654	3.2
377.61868	1.6
382.16620	1.8
382.21780	8.1
382.26166	3.1
385.33929	1.7
388.21091	4.8
389.21628	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	382.2225
Annotation	Symphytine
Peak:m/z	Relative Intensity
53.03958	0.5
55.01836	0.4
55.05501	0.5
57.07058	0.6
61.02923	0.5
66.07220	0.4
67.05495	1.2
69.03423	2.3
69.07074	0.6
69.43299	1.8
70.06581	0.8
71.04986	1.0
73.02901	0.5
79.05492	0.8
81.03400	0.8
81.07053	1.2
81.26630	0.4
82.06576	0.5
83.04964	0.6
83.07353	3.7
85.02910	3.0
85.06532	0.9
86.06086	1.2
86.09698	0.4
87.04462	1.5
93.07040	1.3
94.06577	0.4
95.08627	1.8
96.08121	1.8
97.02866	1.2
97.06533	1.1
98.06029	0.4
99.08096	0.6
103.45658	0.5
105.07005	0.9
107.08603	1.7
109.02874	0.7
109.06518	0.7
110.07190	0.4
111.08045	0.6
115.03924	3.4
117.06980	0.4
119.08575	1.4
120.08083	0.5
121.06529	0.7
121.10149	0.7
122.09661	0.6
123.08049	0.6
124.11257	1.1
125.09634	0.4
125.12000	0.4
126.12805	0.9
127.03902	2.2
131.08537	0.8
133.04950	1.4
133.10135	0.4
135.08028	0.5
136.11205	0.8
137.08710	0.4
137.09615	1.7
138.12785	2.1
139.07555	0.4
139.11151	0.7
140.07054	0.9
145.04948	2.0
145.10106	0.7
147.08067	1.3
147.11777	0.5
149.09613	1.2
150.09160	0.6
152.10670	0.7
153.12714	0.5
154.12276	0.7
161.09605	0.4
162.12769	0.4
164.14384	0.7
167.10626	0.5
168.10181	0.5
170.11739	2.5
177.12752	0.6
178.15916	0.5
180.13895	0.5
185.11687	0.7
188.14494	0.5
189.12737	0.5
194.11717	0.6
194.15427	0.7
203.12723	0.5
204.17427	0.4
205.15874	2.9
206.15384	0.9
208.13367	0.7
215.14301	0.9
232.16898	1.1
233.15289	1.9
250.18044	1.2
251.14999	0.5
259.08069	0.5
262.18164	0.4
276.19827	0.5
277.09262	1.1
278.17590	0.5
278.21017	0.4
292.19073	7.5
292.22394	0.8
293.19543	0.4
294.20670	4.5
295.20886	0.6
302.21094	0.8
310.20114	9.4
311.20392	0.9
320.22144	1.7
322.20062	1.6
329.17624	0.5
336.21548	2.5
338.19757	0.6
338.23218	17.2
339.23499	1.6
346.20087	0.5
364.21155	28.9
365.21512	2.6
382.22214	100.0
383.22543	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	382.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71142	0.4
55.01868	1.5
55.05506	0.8
56.05023	0.7
57.03434	1.1
61.98722	0.4
63.49516	0.4
64.17762	0.4
65.18288	0.4
65.21974	0.4
67.05499	1.5
69.03431	2.6
69.62689	1.3
70.06600	2.4
71.04977	2.1
75.75163	0.5
79.05472	2.3
80.05015	1.1
81.07058	2.3
82.06580	1.0
83.01342	1.6
83.04977	0.9
83.07360	1.5
84.08139	7.7
85.02925	0.7
86.09695	1.2
87.04469	0.9
91.05473	2.1
93.07035	3.1
94.06561	1.9
95.04930	0.8
95.08600	2.0
96.08160	2.4
97.06525	1.3
98.06055	0.8
99.04465	1.1
105.07033	1.6
106.06562	0.7
107.04930	0.6
107.08597	1.1
108.08105	1.8
109.06535	0.6
110.07182	1.5
110.09692	1.3
111.08065	0.6
112.07618	0.6
115.03910	0.9
117.07045	0.6
118.06550	1.0
119.07317	1.3
119.08546	0.6
120.08109	1.4
121.06495	1.9
122.09658	6.0
123.04410	0.7
123.08031	0.6
123.10484	4.7
124.07584	0.8
124.11217	2.5
125.05968	1.1
125.09607	0.7
126.09152	1.1
127.07565	4.4
132.08067	1.3
133.08844	0.9
134.09639	1.9
135.08022	0.7
136.07521	0.7
136.11208	6.4
138.09138	0.5
138.12813	1.0
139.07512	1.0
140.07045	0.7
140.10698	2.9
142.08646	1.0
146.09602	1.8
148.07574	2.1
148.11180	1.7
149.05971	2.2
149.08408	0.7
149.09587	0.6
149.12009	0.6
150.09145	10.3
150.12805	1.6
151.09863	2.1
151.11111	0.6
152.10706	3.2
154.12260	1.9
157.05002	0.6
158.09645	0.9
159.10469	0.5
160.07423	0.6
160.11249	2.8
161.11943	0.9
162.08987	0.7
162.12816	3.5
164.10641	0.5
165.05463	0.6
166.12294	0.7
167.07024	1.9
167.10649	0.7
168.10190	4.3
168.13869	1.4
171.10158	0.5
172.11273	1.3
173.12822	0.8
174.09113	1.3
174.12814	0.6
176.10707	2.8
176.14294	1.3
178.12242	3.2
180.13805	3.3
182.11742	7.0
183.06537	0.5
183.11911	0.6
185.08090	5.3
185.11641	0.9
188.10716	1.6
190.12239	1.9
194.15421	1.1
196.13290	2.2
203.09135	0.6
205.15901	0.6
206.11763	1.6
232.13330	0.5
232.17070	0.6
234.11197	0.5
234.14851	3.6
236.16455	0.8
244.13319	0.5
244.16875	0.5
252.15982	1.0
254.11639	0.7
264.12082	0.5
266.17517	2.0
272.16376	1.1
284.18530	0.9
288.15851	0.6
290.17474	2.0
292.19009	1.5
294.20575	1.3
300.19318	0.7
308.18359	1.1
310.20285	2.6
314.13809	1.1
318.20663	2.0
332.14917	5.2
333.15094	0.5
336.21640	1.8
338.23203	3.7
346.20087	4.6
350.16003	10.3
351.15970	0.8
364.21136	26.3
365.21313	2.2
382.18338	53.9
382.22226	100.0
383.18246	3.9
383.22873	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	382.2225
Annotation	Symphytine
Peak:m/z	Relative Intensity
52.11192	0.4
55.05508	0.5
62.59828	0.4
67.05493	0.6
69.03429	1.3
69.07056	1.0
70.10182	0.9
79.05485	0.6
81.07059	1.1
83.07356	3.9
85.02877	0.4
85.06543	0.5
86.06091	0.9
87.04467	0.5
90.42883	0.3
93.07040	1.0
95.04979	0.6
95.08598	1.0
96.08165	1.0
97.06540	1.0
98.09702	0.4
99.08099	0.4
105.07016	0.7
107.08624	0.8
108.08083	0.5
109.06494	0.5
109.10133	0.5
110.09703	0.5
111.08064	0.6
117.07093	0.4
119.08574	1.1
120.08113	0.4
121.06490	0.7
121.10143	0.4
122.09672	0.5
123.08042	0.5
124.11258	0.7
125.09553	0.4
126.12804	0.9
131.08578	0.7
133.06410	0.4
133.10158	0.5
135.08110	0.5
137.09650	1.6
138.12753	1.8
140.07115	0.8
145.10141	1.1
147.08037	1.0
148.07602	0.4
149.09625	0.4
152.10678	0.6
157.10126	0.5
159.08057	0.4
161.09645	0.5
164.14366	0.7
165.12759	0.5
170.11823	2.4
173.09598	0.4
179.14272	0.6
194.11746	0.8
194.15387	0.5
203.14464	0.5
205.15927	1.7
206.15498	0.8
208.13403	0.9
215.14201	0.6
222.14934	0.5
232.16997	0.9
233.15410	1.1
250.18050	1.6
292.19049	7.6
292.22345	0.6
293.19318	0.4
294.20605	4.2
295.20789	0.4
302.21091	0.8
310.20135	9.2
311.20465	0.6
320.22256	1.8
322.20193	2.1
336.21689	1.8
338.23236	15.7
339.23517	1.3
346.19931	0.4
364.21152	27.4
365.21371	2.1
382.22226	100.0
383.22592	7.4
404.31390	0.4
409.11221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97786	0.2
54.98651	0.3
56.96283	0.4
56.96564	7.8
70.05659	0.5
71.95251	0.3
75.93620	0.2
81.78234	0.2
98.22719	0.3
98.97581	100.0
99.14265	0.2
99.97937	1.0
108.32954	0.2
109.02265	0.2
116.98620	48.6
117.98964	0.4
119.86863	0.2
134.99655	12.9
140.00191	0.7
153.00703	1.0
158.01282	0.4
174.97638	0.5
175.02766	0.2
177.00822	0.3
181.97359	0.4
192.98753	0.3
198.97658	0.2
216.98698	1.5
217.98944	0.3
219.01900	0.2
234.99762	1.6
235.99844	0.6
240.98642	4.7
241.00873	0.3
241.98909	0.3
251.71770	0.2
256.96597	0.3
257.96954	0.4
258.99759	65.2
259.99936	4.0
261.00052	0.4
261.03098	0.6
274.97543	0.4
275.97919	0.5
277.00806	73.9
278.00983	5.1
279.01193	0.4
282.01358	1.0
282.99957	1.3
295.01801	0.6
299.97916	0.8
300.02283	1.3
300.97610	0.5
301.01050	1.1
302.01190	0.3
316.98666	0.4
317.98987	1.2
318.98544	0.6
341.99020	0.6
342.98532	0.3
343.02344	0.2
358.99893	0.3
360.00018	1.8
360.99585	0.8
382.99854	1.8
384.00162	0.4
397.01508	0.2
401.00995	6.2
402.01263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13811	0.2
56.96577	1.4
57.03429	0.2
58.72297	0.2
61.02925	0.4
64.07857	0.2
69.03425	0.9
69.84263	0.6
69.84612	0.4
73.39410	0.2
74.02448	0.4
81.03438	0.4
85.02901	2.1
86.09711	5.7
87.04472	0.3
87.10027	0.8
87.13911	0.2
97.02883	1.0
98.22739	0.4
98.97590	5.4
99.23718	0.2
105.07052	0.3
106.06553	0.6
108.70278	0.2
115.03927	0.5
115.05462	0.9
116.46573	0.2
116.98637	2.5
117.05768	0.6
127.00682	0.3
127.03916	0.5
130.06538	1.4
131.04921	0.7
132.08096	1.5
132.10208	4.2
133.05139	0.3
133.06474	0.6
133.10574	0.6
134.06018	20.5
134.99667	0.5
135.06337	0.4
142.06538	0.6
146.06013	1.5
148.07567	3.4
158.06023	3.1
159.06883	1.9
160.07590	12.0
161.07965	0.4
162.05507	56.8
163.05836	1.9
174.97627	0.8
175.08665	5.2
175.97740	0.5
176.07060	0.6
177.00562	0.3
186.05511	5.1
186.07059	0.5
192.98683	0.3
201.99155	0.3
203.00755	0.4
203.02516	0.4
204.06569	100.0
205.06937	3.7
221.09221	27.8
222.09531	1.1
228.98651	0.6
246.02019	0.4
246.99745	0.9
258.99716	2.6
263.03009	0.3
264.03024	0.5
270.05219	0.5
277.00873	3.1
278.01315	0.3
288.06149	0.4
290.00925	0.3
292.02237	0.3
299.98953	0.3
306.07150	0.4
317.00101	0.4
318.00424	1.3
319.00183	0.6
324.05820	0.3
336.01517	0.4
342.07193	0.7
360.01456	0.3
360.08090	2.7
366.11752	1.0
383.03485	0.4
383.08057	1.9
383.14169	1.0
401.03796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81261	0.5
57.03472	0.5
60.21175	0.4
62.68668	0.5
70.51443	1.0
78.36828	0.4
95.08623	0.7
105.07032	0.9
107.08582	0.8
129.06981	0.7
137.05957	3.3
139.05455	0.6
149.05983	0.9
165.07013	0.5
165.12885	0.5
175.07512	0.7
187.07532	1.2
189.09056	1.2
191.08533	1.1
199.07562	2.0
202.07782	3.9
203.08553	11.8
204.08923	0.8
205.06502	1.9
211.07767	0.6
217.08478	1.0
218.07256	0.6
219.08060	4.1
220.08849	6.8
221.09576	1.0
225.09151	0.7
230.07353	1.1
231.08043	13.6
232.08797	5.8
233.05943	2.0
233.09480	1.0
234.06636	0.7
235.11060	0.5
237.09079	2.2
245.09563	1.6
247.07530	4.3
248.08307	18.1
249.08949	4.5
250.06270	1.8
258.06830	1.1
259.07507	3.6
260.08310	4.2
261.05347	1.0
261.09048	2.2
262.06116	1.0
262.09897	1.7
263.10654	14.6
264.07886	0.5
264.11020	1.1
265.08591	4.8
273.09131	1.1
275.07166	0.9
275.10599	1.2
276.07822	9.1
277.08563	7.0
278.05756	1.8
278.08850	0.9
278.17487	0.5
279.10345	0.8
280.10934	1.5
290.09415	1.9
291.10144	34.1
292.10745	5.9
293.08090	13.4
293.11121	0.6
294.08481	1.6
305.11740	1.3
307.09500	1.1
308.10437	5.0
323.12775	100.0
324.13168	8.3
345.53400	0.5
383.14743	1.4
384.23975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51291	1.2
55.01856	2.1
55.05495	1.8
65.84524	1.4
67.05479	2.3
68.60443	1.1
69.03439	2.2
69.80937	3.4
79.05493	4.4
81.03426	1.3
81.07063	2.9
91.05449	2.3
94.04188	4.9
95.08562	1.7
97.02894	2.6
98.23452	1.3
99.04437	1.4
102.67355	1.4
103.05450	3.1
105.07025	16.1
109.06520	2.1
115.05462	5.6
122.03642	11.9
125.02337	9.8
128.06184	3.4
131.04883	1.8
133.06471	13.6
137.05971	100.0
138.06313	2.8
139.05482	1.5
141.07039	1.6
143.06050	1.6
146.03639	5.4
149.05936	1.5
151.58392	1.3
151.68121	1.3
153.25771	1.3
155.03398	7.3
156.05733	1.3
161.05978	59.2
162.06606	2.5
184.05151	4.2
186.12779	2.1
190.80771	1.3
191.08630	3.7
192.09373	2.7
193.10091	1.7
197.09430	1.2
199.07544	26.5
202.05960	1.9
202.07735	17.9
203.08546	25.9
204.09058	2.9
205.06769	2.2
214.15855	1.8
218.11703	1.5
219.08025	10.6
220.08798	8.7
221.09526	2.0
230.07272	2.7
230.15375	2.7
231.05817	2.6
231.08043	38.2
232.08807	8.9
235.11230	2.8
237.09042	2.1
247.07512	6.2
248.08260	19.3
249.08990	4.3
253.17349	1.4
258.06732	1.9
259.07541	28.5
260.08286	17.7
260.16403	9.4
261.08920	3.1
262.09949	1.8
263.10605	15.6
265.08524	1.7
269.46259	1.4
273.08978	1.6
273.84650	1.4
275.07068	2.6
276.07794	11.5
277.08572	6.1
291.10141	76.9
292.10666	11.7
293.08078	2.5
295.13214	3.3
308.10559	2.9
323.12714	23.5
324.13068	1.9
351.12231	14.6
365.23190	3.0
383.15341	2.1
383.24088	11.5
384.18018	7.7
384.30743	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	383.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13974	0.5
53.03935	1.1
55.01862	1.3
57.03436	3.9
59.04998	0.8
61.02923	3.8
67.05491	0.8
69.03429	20.3
70.06581	1.4
70.54953	0.6
71.04988	3.6
71.16755	0.6
71.23661	0.7
73.02904	2.7
81.03411	10.8
81.07088	0.7
85.02905	59.2
86.03242	1.2
86.50928	0.6
87.04466	24.5
88.04790	0.9
89.06013	0.9
91.03944	2.6
97.02893	18.1
97.03488	1.3
99.04459	3.7
101.02373	1.2
103.03959	1.4
107.07086	1.0
107.08519	0.7
109.02867	8.4
111.08070	0.8
115.03929	100.0
116.04277	1.8
117.05484	1.2
121.06527	1.2
127.03918	31.4
128.04277	1.1
133.04962	25.4
145.04956	28.3
152.10785	0.8
157.04956	1.3
163.03905	1.1
163.06003	5.6
175.06001	1.0
181.04964	1.3
182.11742	0.7
185.04257	3.3
191.03517	0.6
203.12752	0.6
221.04390	1.4
241.07109	1.4
259.08130	6.7
275.39380	0.6
277.09128	7.9
292.19186	0.9
295.17514	0.8
308.18790	1.0
309.18970	1.3
310.20255	0.8
311.72110	0.6
323.09869	1.8
347.13538	2.3
365.21478	1.9
366.19077	1.4
366.22974	3.0
382.22183	3.7
383.09167	1.7
383.13199	13.2
383.18796	2.0
383.22665	24.7
384.13263	1.1
384.15430	0.8
384.20020	4.6
384.24316	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	383.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48909	0.6
53.03941	1.3
55.01868	2.2
55.05521	0.7
57.03441	4.5
59.05000	0.7
60.22145	0.5
61.02929	4.0
62.14778	0.6
64.61316	0.5
69.03435	20.3
70.03757	0.7
70.06609	1.0
70.44114	0.7
70.44469	1.4
71.01338	0.7
71.04999	5.7
73.02910	2.9
73.83250	0.6
81.03423	10.6
81.07047	1.5
83.04991	0.6
85.02910	63.8
85.06534	0.6
86.03262	1.4
86.06062	0.5
87.04472	26.0
89.06028	1.5
91.03961	2.3
92.74337	0.5
93.07047	1.1
95.08598	0.9
95.48490	0.5
97.02900	18.2
98.97614	0.6
99.04453	6.4
99.08121	0.9
101.02391	1.4
103.03947	1.0
107.07066	1.3
107.08586	0.8
108.22316	0.6
109.02887	10.3
109.06504	1.2
113.26384	0.6
115.03936	100.0
116.04274	2.2
117.05502	2.3
121.06515	1.0
125.09586	0.7
127.03921	35.4
127.07534	0.6
128.04222	1.2
133.04973	25.3
134.05284	1.4
135.04433	1.0
141.20950	0.6
145.04968	32.0
145.08655	0.7
146.05251	1.1
147.04436	0.7
151.07669	0.7
157.04976	1.2
163.03944	1.0
163.06017	5.7
177.39459	0.6
185.04269	1.0
185.08051	0.7
185.11754	0.9
186.12003	0.9
197.08156	1.4
205.07028	0.7
221.06625	1.0
241.07083	1.3
259.08160	7.5
277.09210	10.5
292.18967	0.8
309.18829	0.9
323.09680	1.4
339.23227	0.7
340.21207	1.0
347.13446	1.9
365.21771	1.2
366.19098	2.0
366.22971	3.1
382.22375	1.4
383.13300	11.7
383.19034	1.0
383.22641	16.8
384.13437	0.8
384.20010	3.9
384.24246	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	383.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.01874	18.0
55.05509	14.3
57.03447	12.7
57.07072	3.5
61.02926	7.8
65.03941	4.5
67.05515	29.4
68.99815	11.8
69.03433	63.1
69.07065	13.0
71.01351	4.5
71.04997	9.3
73.02909	6.2
75.04518	2.6
77.03922	3.4
79.05496	39.9
81.03424	65.3
81.07060	74.8
82.07433	1.9
82.62408	2.0
83.04980	20.1
85.02908	58.4
85.06573	3.1
87.00837	39.2
87.04505	2.1
91.05483	47.7
93.06448	4.8
93.07050	100.0
94.07367	2.3
95.04968	33.4
95.08617	29.1
97.02900	34.1
97.06529	8.4
99.04456	13.7
101.02386	3.2
103.03959	13.0
105.01878	9.9
105.04533	2.9
105.07034	62.1
107.04971	17.3
107.08598	92.4
108.08866	2.6
109.02884	26.6
109.05830	3.8
109.06523	32.8
109.10164	35.0
111.04449	19.7
111.08111	2.8
113.02361	2.7
113.06043	2.0
115.03918	12.6
117.01864	4.1
117.07002	14.8
119.06112	2.0
119.08593	49.4
120.08140	3.8
121.06526	14.9
121.09278	2.7
121.10154	51.1
123.04445	40.1
123.08089	9.8
123.11700	16.2
125.05994	9.6
127.03924	26.4
128.06197	4.0
129.01857	13.0
129.05457	2.7
129.07016	10.0
130.07796	4.5
131.08572	24.6
133.06540	8.9
133.10133	39.5
133.11148	2.4
135.08052	10.9
135.11697	60.1
136.12065	2.5
137.06006	5.6
137.09624	11.0
137.13239	3.1
139.04056	2.6
139.07565	2.5
139.11235	2.4
141.05441	2.2
141.07002	4.3
142.07774	4.0
143.08585	11.0
144.09296	2.7
145.04945	3.7
145.06496	3.7
145.10127	26.8
147.02866	8.6
147.08098	11.6
147.11699	37.4
147.45792	1.7
149.06027	9.3
149.09610	4.8
149.13293	7.7
151.07565	9.3
151.11176	9.6
153.05466	3.8
153.07027	2.6
153.12794	2.7
155.07300	2.0
155.08505	10.5
156.09380	3.5
157.10133	14.7
159.02936	7.7
159.08040	9.3
159.11699	27.1
161.09624	5.2
161.13280	6.8
163.07533	4.9
163.11177	18.1
165.09320	2.4
165.12770	17.7
167.07062	2.8
167.08522	2.8
169.05318	2.1
169.10110	6.2
171.02876	2.8
171.08125	3.4
171.11717	8.9
173.09645	6.3
173.13283	5.6
175.07663	2.8
175.11197	18.2
177.12773	18.6
179.07022	4.2
181.10213	2.1
181.12207	2.1
182.10947	3.9
183.08087	2.6
183.11650	5.6
185.09589	3.0
187.07549	3.0
187.11191	6.1
187.14789	2.7
189.03935	8.2
189.12773	9.9
191.14305	3.0
193.12245	7.4
197.13251	8.3
199.11224	4.1
200.11871	2.2
201.03969	3.3
201.09148	2.3
201.12703	9.0
203.10646	4.4
205.12256	4.8
207.11626	2.8
215.14305	8.5
219.13837	15.8
221.08040	3.9
225.12764	9.5
231.05083	3.3
231.13800	2.4
233.15454	3.2
237.14978	2.1
243.13823	30.9
244.14172	3.8
261.14853	48.8
262.15393	2.2
279.15906	7.2
280.46487	2.1
339.23355	2.5
347.14963	15.1
364.21283	2.3
365.15958	22.6
365.21503	9.1
382.22327	3.9
382.71198	3.4
383.16782	23.6
383.22342	22.1
384.17667	6.2
384.23337	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	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.05501	5.6
57.03443	2.3
67.05513	12.2
68.74416	1.8
69.07044	3.1
77.54850	1.9
79.05489	5.7
80.94877	3.6
81.07066	23.2
83.04961	3.2
83.08621	4.1
91.05473	3.9
93.07043	4.5
95.08595	8.3
105.07043	3.8
107.08600	6.2
109.06523	9.2
109.10161	5.7
111.04455	17.5
119.08577	6.4
121.10133	5.5
125.06012	5.7
133.10132	4.3
135.08012	2.4
135.11662	3.3
137.05983	100.0
138.06265	2.7
143.08498	2.4
147.11671	5.3
149.09592	3.0
151.07552	3.7
152.97215	1.8
161.09607	6.2
161.13321	4.7
163.11137	5.4
164.92108	2.0
165.09154	2.2
175.11177	5.6
193.31432	2.1
203.17978	7.2
231.17384	9.0
249.18466	11.6
274.97620	2.2
277.17990	80.7
278.18362	7.6
283.16846	3.6
295.19025	14.0
339.23242	2.8
351.21698	6.7
356.32242	1.8
369.72372	2.4
383.24127	9.8
383.27750	10.2
384.30908	26.0
386.46570	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02383	2.3
53.03947	4.3
55.01863	3.3
55.05519	11.5
55.22346	2.4
57.07064	10.6
59.05004	6.1
65.03930	2.4
67.05509	25.9
69.03432	16.0
69.07069	7.4
69.17902	13.0
71.04986	6.0
73.03773	2.1
79.05492	26.2
81.07054	30.6
83.01352	2.3
83.04977	5.7
83.08626	4.9
85.06539	4.1
91.05479	40.6
93.07046	100.0
95.04977	29.7
95.08609	43.6
97.06549	12.6
105.04528	4.5
105.07027	73.4
107.08594	39.8
109.06526	29.2
109.10163	19.0
111.08088	10.2
113.82825	2.5
113.83660	2.3
115.05440	3.8
116.06223	2.5
117.06979	12.3
119.04881	2.3
119.08581	55.9
120.09375	3.0
121.06528	13.3
121.10149	41.3
121.57913	2.4
123.08067	23.7
123.11698	2.8
125.09643	3.2
127.03926	3.3
128.06227	8.8
129.07004	12.0
130.07785	5.1
131.08572	25.6
133.06499	7.9
133.10121	28.3
134.21368	2.2
135.08067	20.9
135.11691	5.6
137.06006	3.4
137.09642	11.2
141.07060	3.3
142.07782	17.8
143.08585	22.7
143.99670	2.2
144.09286	3.7
145.10121	35.5
147.08046	21.9
147.11740	15.6
148.08775	3.9
149.09624	21.8
151.07545	40.9
155.08582	6.9
156.09320	11.4
157.10141	39.7
159.08043	7.9
159.11700	15.3
161.09644	23.0
161.13284	7.7
163.11179	5.0
165.09109	27.7
169.10056	5.8
170.10892	5.4
171.11668	11.0
173.09639	11.0
173.13214	10.8
174.10356	2.4
175.11137	19.7
175.14867	6.3
177.09161	9.2
178.09901	3.2
179.08559	3.4
181.10168	2.9
181.12227	2.8
183.11728	7.7
185.13239	25.8
187.11182	6.2
187.14841	3.9
189.12752	8.9
191.10609	2.9
191.14230	3.3
193.10100	3.4
194.10945	3.5
195.11694	5.5
197.13271	7.9
199.11134	2.6
199.14830	5.2
201.09012	2.4
201.12762	7.9
203.14313	28.6
207.11885	3.4
207.13779	8.7
208.06931	2.2
209.13373	3.1
209.15291	5.5
211.14813	5.3
213.12750	2.8
214.08569	5.3
215.14325	10.1
215.38889	2.4
217.12144	3.4
219.13780	4.6
221.13303	3.7
221.15344	62.5
222.15660	4.1
223.14719	2.5
225.16406	3.2
227.14380	4.9
231.13676	3.0
233.15324	4.7
234.16167	9.1
237.14786	3.6
239.17723	3.5
243.13933	3.9
253.16121	2.8
256.13281	4.2
257.14084	6.5
265.15894	3.3
286.19257	5.4
287.20053	8.6
297.18332	2.7
299.20258	3.7
303.19528	8.0
327.14224	4.7
352.15402	10.2
356.18524	3.1
365.24637	14.2
383.20389	51.2
383.25760	76.5
383.30661	3.8
384.17926	31.8
384.26151	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	383.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	16.9
57.07083	17.0
67.05500	29.9
69.07067	13.5
69.65471	50.2
71.08631	17.1
79.05501	34.9
80.94862	17.4
81.07069	49.1
85.76108	13.4
91.05499	46.7
92.44741	15.2
93.07040	100.0
95.05007	24.5
95.08633	42.5
97.06537	16.2
98.23392	21.4
102.46017	17.1
105.07027	81.3
107.08614	54.4
109.06532	26.5
109.10192	20.7
119.08592	32.9
121.06464	15.2
121.10146	58.7
123.08080	14.8
131.08537	26.5
133.10139	31.8
135.08160	23.6
142.07750	23.6
143.08586	35.8
145.10150	27.5
147.08109	24.8
147.11703	15.8
149.09624	23.1
151.07582	45.0
155.01036	17.5
157.10150	43.2
159.11835	13.4
161.09666	28.9
165.09106	43.0
175.11255	24.0
185.13263	17.6
190.40764	12.5
221.15375	98.6
286.19168	19.5
335.30765	13.5
345.26700	14.3
365.24884	19.2
383.18045	27.7
383.25824	97.4
383.30042	18.2
399.29919	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	3.0
55.05511	14.3
57.03462	2.2
57.07068	7.1
59.05000	7.0
61.06374	1.9
63.07450	1.9
65.03934	1.9
67.05507	21.4
69.03435	10.0
69.07070	7.2
69.13182	12.7
71.04996	4.6
79.05495	23.4
81.07062	29.8
83.04984	6.3
83.08607	7.4
85.06555	6.5
90.76576	2.0
91.05480	37.5
93.07048	71.5
93.07604	4.3
95.04398	3.2
95.04970	25.5
95.08613	37.9
97.06528	15.3
98.22757	3.8
105.07032	65.4
107.08591	37.4
109.06528	25.2
109.10146	20.5
111.08086	10.3
115.05438	2.8
117.07009	8.1
119.08590	50.4
121.06508	11.3
121.10154	40.3
123.08075	22.9
125.09624	2.8
128.06248	8.3
129.07007	9.2
130.07784	3.6
131.08582	22.5
133.06479	4.6
133.10127	26.4
135.08029	21.2
135.11728	3.6
137.09627	12.8
141.07039	5.3
142.07800	12.5
143.08569	22.8
144.09393	5.8
145.06468	3.3
145.10115	35.2
146.07224	2.3
147.08060	18.8
147.11659	14.7
148.08868	2.4
149.09621	21.8
151.07552	35.9
153.09119	3.8
155.08582	7.3
156.09366	6.5
157.10141	40.3
159.08075	6.9
159.11694	14.0
160.08833	3.8
161.09619	20.2
161.13300	6.9
163.11250	6.3
165.09102	32.4
168.09335	4.2
169.10147	9.1
170.10916	6.2
171.11742	12.9
173.09662	13.3
173.13280	8.0
175.11206	23.2
175.14870	7.2
177.09125	8.5
179.08516	3.5
181.10114	3.2
181.12158	2.8
182.10901	2.9
183.11716	5.7
185.09663	3.6
185.13261	23.1
187.11215	4.7
187.14830	5.3
188.12137	2.3
189.12756	7.9
191.14336	4.6
195.11732	6.5
196.12273	2.2
197.13281	5.6
199.11240	3.1
199.14925	3.5
201.12804	7.5
203.14307	28.2
207.12103	3.2
207.13737	12.4
208.12595	2.4
209.13286	7.3
209.15237	4.6
211.14941	2.8
213.12799	3.5
215.14297	13.7
216.15048	2.2
219.13806	2.8
221.13362	2.7
221.15358	82.5
222.15805	4.0
223.14909	2.8
225.16505	4.0
227.14317	5.0
231.13821	2.3
233.15408	6.1
234.16133	10.1
237.14865	3.7
241.15906	3.5
243.13635	3.0
263.17896	3.7
281.19003	4.6
285.77673	2.1
286.19296	2.4
287.20093	12.6
299.20047	7.1
300.20782	2.7
303.19574	10.3
309.18604	4.2
316.83167	1.9
347.23657	4.2
353.99414	2.2
365.24896	18.9
383.18619	9.5
383.25839	100.0
384.18301	2.9
384.25928	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	383.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.01868	4.0
55.05256	3.2
55.05512	42.5
57.03439	22.7
57.07076	7.1
60.32306	1.5
65.03954	3.5
67.05506	75.6
67.05869	4.2
69.07070	43.7
69.64998	6.6
71.04998	4.3
71.08626	4.7
74.87446	1.6
75.04468	3.2
79.05496	49.0
79.38660	1.6
81.07059	88.6
83.04980	7.5
83.08624	24.1
85.06541	5.8
91.05482	31.2
93.07046	61.5
95.04979	5.2
95.08611	64.3
97.06547	12.5
97.10163	12.0
99.08099	5.4
105.07027	20.8
107.08602	35.2
109.02888	2.0
109.06509	2.3
109.10173	22.4
111.08083	7.2
111.11761	3.7
113.00025	3.0
117.07000	9.1
119.08587	21.6
121.09267	3.7
121.10146	69.5
122.10484	2.9
123.08016	2.9
123.11729	7.9
125.09651	5.4
131.08568	10.1
133.10124	25.2
135.11694	48.8
137.09624	6.6
145.10135	9.5
147.11687	15.4
149.09598	3.4
149.13277	17.0
151.11185	6.5
152.70671	1.7
153.12759	2.0
157.10153	2.6
159.11649	9.4
161.13258	8.6
163.11232	6.0
163.14873	3.6
165.12755	17.8
175.14847	5.0
177.12791	6.2
179.12047	1.9
179.14281	4.0
181.12267	6.3
181.15984	1.7
185.13298	4.4
187.62282	2.0
193.50697	2.0
195.13832	7.3
221.15292	3.0
231.21132	2.5
241.19469	9.6
249.22119	6.3
259.20636	12.8
277.21631	97.5
278.21960	9.2
291.23273	4.4
291.44443	1.9
309.24277	12.1
351.25192	6.4
383.27933	100.0
384.17841	3.1
384.28079	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	384.1152
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
50.90398	0.7
52.82727	0.6
55.01853	1.3
57.03416	2.6
62.33965	0.6
69.03417	1.4
69.27527	2.5
70.06608	3.8
71.01307	0.9
73.02914	1.1
75.88232	0.6
84.04491	0.7
84.08121	1.5
85.02872	1.9
86.09691	0.6
88.02177	0.9
99.00787	0.6
103.96283	0.7
110.07156	1.9
119.03515	0.7
121.05062	1.1
133.06488	1.1
134.02715	0.9
136.06180	21.9
136.07233	1.0
148.06168	6.5
155.05682	0.8
156.07631	0.8
160.06174	1.4
161.04495	0.7
162.07747	37.3
163.08003	0.9
173.14244	0.7
178.07257	0.9
188.05669	11.4
192.05157	18.6
206.06757	7.9
216.05151	0.9
234.06224	11.9
252.07277	100.0
253.07460	4.3
259.38736	0.7
262.02975	0.7
288.69861	0.6
308.18637	1.0
326.19528	5.0
352.17569	1.0
384.11462	27.5
384.20084	1.1
384.23923	12.1
385.11469	1.2
385.24677	0.8
405.53137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55421	1.9
52.86174	1.9
58.62404	1.7
59.05000	4.6
67.91618	1.7
69.03436	3.7
69.60942	6.3
79.05476	3.0
81.03415	2.3
91.05482	10.5
91.49171	1.6
93.07062	3.5
95.04945	2.9
95.08577	2.7
97.02885	4.0
105.07006	2.8
109.02905	3.3
111.08109	2.5
117.09100	2.7
121.06511	33.8
123.08067	13.0
125.05999	5.2
127.03920	2.8
137.05998	3.6
139.07518	21.0
149.07094	1.9
150.06754	3.2
151.07552	98.7
152.07841	4.1
153.05510	2.6
155.03372	2.4
165.09099	3.3
167.07007	10.5
177.09109	9.6
179.62633	2.3
203.10709	2.5
205.06920	2.3
214.12308	3.8
217.12231	5.1
231.10152	2.2
245.11734	2.9
259.13330	4.9
263.12799	4.2
277.14343	5.7
305.13831	100.0
306.14114	4.0
340.18927	2.6
384.17654	13.6
385.12741	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	384.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61718	0.6
67.05493	1.2
69.03426	9.1
69.38979	2.3
71.04987	5.5
80.94891	0.8
95.08596	2.4
97.02866	0.6
98.23428	1.4
99.04444	9.1
107.57041	0.5
118.06522	0.8
120.08106	2.3
125.02346	100.0
126.02641	1.7
132.08055	1.4
134.09573	0.6
144.08066	2.9
146.09665	4.8
153.05463	0.7
154.06676	0.6
156.08083	0.7
157.08795	1.0
158.09651	8.8
159.10414	4.9
160.07571	1.3
160.11218	1.9
162.12767	1.3
170.09668	1.3
171.10452	1.7
172.11195	14.7
173.11934	1.0
174.12793	2.7
176.10701	1.9
184.11200	4.5
185.12012	3.7
186.09262	0.7
186.12749	13.8
187.13492	6.7
188.14117	0.7
194.09529	0.7
196.11223	2.0
210.12846	0.7
212.14323	1.0
214.12370	5.6
214.15874	14.0
218.11726	14.1
222.12708	0.8
224.14278	0.6
230.11732	3.7
231.12503	5.7
232.13245	3.4
240.13843	2.2
242.15347	2.9
250.12065	0.9
252.13962	0.9
260.16443	98.5
261.16833	5.6
267.15979	1.0
268.13226	3.4
275.81897	0.8
282.14749	1.4
286.14444	1.6
292.13483	0.6
293.13852	1.0
296.12784	0.7
296.29343	0.7
298.14319	0.8
311.15164	3.8
320.16336	1.7
338.17538	9.0
339.17816	0.7
340.19232	1.7
348.15631	0.7
366.16953	4.5
367.17368	0.8
384.18027	56.0
384.30811	39.9
385.18228	5.6
385.31323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1806
Annotation	Peniprequinolone
Peak:m/z	Relative Intensity
55.01862	2.0
55.05503	0.7
63.16677	0.5
69.03438	3.5
70.06595	0.7
70.63081	1.0
71.04976	1.2
78.06384	0.5
79.05476	1.0
81.03407	0.9
81.07059	3.8
83.08591	0.9
85.02906	1.3
85.10059	0.5
94.15387	0.5
97.02889	3.4
99.04457	2.4
99.55405	0.5
100.11256	1.0
105.07055	0.5
106.46062	0.5
106.73230	0.5
109.02866	1.8
109.06537	0.8
114.54605	0.6
120.08136	0.6
124.07596	1.2
125.05962	0.6
127.03928	2.1
137.05957	2.7
143.08574	0.8
145.04924	0.7
145.06401	0.6
146.06061	0.5
146.09633	1.0
148.07607	1.8
150.09152	0.7
151.17860	0.6
155.03368	1.8
156.08026	0.8
158.09682	0.9
168.08105	0.6
170.09679	1.6
172.07692	0.6
172.11201	1.3
174.09000	0.6
181.08842	0.6
182.09583	0.7
183.08049	1.0
184.11215	1.2
184.16891	0.6
185.11983	0.9
186.09224	0.7
186.12727	0.7
187.06122	0.7
188.10770	0.8
196.08810	1.8
196.11188	1.8
198.09167	1.4
198.12772	2.3
200.10637	1.3
205.07111	1.6
208.11220	0.8
210.12785	1.7
212.10414	0.7
212.12132	1.6
212.14174	0.8
212.16336	0.6
213.11488	0.8
213.15068	1.0
214.12254	1.0
218.05644	0.7
218.09843	0.7
218.11794	2.1
222.12820	1.4
223.09833	0.7
224.10683	2.8
224.14262	0.6
226.12296	1.3
228.13896	1.0
229.06926	0.6
236.10698	1.5
238.12251	17.3
239.13010	6.8
240.13844	1.3
248.10649	0.6
248.12860	2.1
249.11363	0.7
250.12271	2.2
251.12810	0.6
252.10243	1.2
254.11745	0.9
256.13428	0.9
264.10147	0.7
264.13846	1.0
266.11783	1.0
268.13406	1.6
269.14145	1.8
270.14960	2.8
274.14429	5.3
278.11841	0.9
279.12350	1.0
280.84384	0.5
281.32309	0.6
282.14948	1.4
282.18597	0.6
286.14624	0.7
287.15286	0.7
292.16931	0.6
295.15836	0.8
296.16431	1.4
297.17111	0.7
310.17978	4.5
312.16052	0.7
312.19431	5.8
312.22382	0.6
320.16470	1.2
323.15201	1.9
324.15750	0.9
338.17484	58.5
339.17783	6.0
340.15317	1.1
340.19067	6.9
341.19357	0.7
342.17114	0.6
348.15808	1.0
356.18521	3.1
366.16980	30.0
367.17316	2.1
384.18042	100.0
385.17813	8.6
385.22958	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03429	0.7
59.04994	1.0
67.05499	1.7
69.03427	5.5
70.06573	1.7
71.04985	1.1
74.34832	0.5
76.89469	0.4
79.05489	1.3
80.04996	1.2
81.03443	0.7
81.07044	1.4
83.01350	2.2
83.04984	0.6
84.08150	0.5
85.02895	1.0
91.05479	2.0
93.07045	1.7
94.06550	0.9
95.04941	1.1
95.08598	0.6
97.02892	2.7
99.04432	1.6
103.05507	0.5
105.07034	2.0
105.27686	0.5
106.06554	1.5
107.07368	0.6
108.08099	1.5
109.02859	0.9
109.06507	1.0
110.09683	1.0
117.06998	1.1
118.06541	0.9
118.44675	0.5
119.04911	0.6
119.08600	0.9
120.08102	2.7
121.06513	1.1
122.09677	0.7
123.04375	0.7
123.08097	0.7
127.03889	2.4
127.07478	0.5
129.07016	0.6
132.08090	1.9
133.06491	0.7
133.10161	0.4
134.06017	0.6
134.09641	1.1
136.07581	0.7
137.05997	0.8
138.09129	1.6
141.21346	0.5
143.08542	1.1
144.08098	0.8
145.05032	0.7
145.10106	0.4
146.09654	1.8
148.07588	1.7
148.96658	0.5
150.09128	0.6
155.03375	2.1
155.07024	0.9
158.09644	2.9
159.07976	0.6
159.10455	3.0
160.11243	1.5
162.09148	4.9
165.05470	1.0
165.09140	0.6
167.07042	0.8
170.09711	1.1
171.08054	1.0
171.10437	0.8
172.07596	1.2
172.11229	3.1
173.09697	0.6
173.11986	2.2
174.09111	0.7
174.12773	1.9
176.10698	0.9
179.07048	1.1
181.08711	0.7
182.09688	0.4
183.06519	2.8
183.10522	0.5
184.11220	1.8
186.09128	7.2
186.12744	3.4
187.06009	0.8
187.09839	2.1
187.13422	1.2
188.10693	1.4
193.08694	0.7
197.12068	0.5
198.09093	0.9
198.12889	0.7
200.10718	3.9
200.14316	3.2
201.11417	1.1
202.12253	2.1
202.15881	0.5
203.12755	0.5
205.07042	1.8
205.12234	0.5
207.06595	1.3
210.12822	0.7
212.10696	1.6
213.11360	0.7
214.12314	3.1
215.13016	1.1
217.08580	1.1
226.12303	1.6
228.13873	3.0
230.15414	4.0
231.10194	1.1
238.12257	0.6
240.13901	0.8
247.09703	1.9
249.11235	3.2
250.08559	0.5
256.13367	1.1
258.14792	3.2
266.11743	0.5
266.15488	1.6
268.13400	0.7
271.29504	0.5
274.14355	4.6
282.14749	0.8
286.14374	10.2
287.14728	1.2
292.13373	0.8
296.12796	0.5
296.16245	0.7
298.18048	1.1
310.14328	1.4
324.15967	2.9
338.17673	0.9
340.19083	0.9
342.16992	8.4
343.17395	1.2
348.15814	0.6
356.18436	3.1
366.16901	1.6
384.18027	100.0
385.18314	9.2
405.77582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22676	0.5
50.52401	0.5
53.00292	0.5
55.01866	1.0
55.05491	0.8
57.03433	1.2
57.07064	0.5
57.08762	0.5
59.05000	1.2
63.26369	0.5
67.01837	0.5
67.05486	1.2
69.03429	35.1
69.07057	0.6
70.03773	0.6
71.46593	0.5
79.01853	0.9
79.05485	0.5
81.03400	1.5
81.07048	1.1
83.01350	4.6
83.04980	0.8
85.02900	1.1
87.04401	0.6
91.05496	0.6
93.07022	0.6
95.01319	0.7
95.04986	0.7
97.02907	2.6
99.04452	15.9
105.07034	0.5
107.08611	0.5
109.02869	1.6
111.54150	0.5
120.08124	0.8
123.00784	0.6
124.45265	0.5
127.03941	2.6
127.88298	0.5
130.45802	0.5
138.08966	0.5
144.39122	0.5
145.04930	0.7
155.03389	100.0
156.03725	3.5
160.11226	1.0
162.12770	1.0
167.07011	1.3
188.09062	1.0
188.10715	2.6
200.10683	0.5
202.52776	0.5
205.07033	0.9
214.12341	0.8
228.13892	0.7
230.15396	42.3
231.15707	2.8
268.38467	0.5
283.16983	0.6
293.21158	3.5
298.14438	0.6
316.15353	1.1
367.24838	1.2
384.18015	13.5
384.22833	1.1
384.29468	0.7
385.18283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1808
Annotation	Dehydrothalicsimidine
Peak:m/z	Relative Intensity
51.84266	0.4
55.01868	0.4
55.05489	0.4
56.02663	0.5
65.03954	0.5
67.01853	0.5
67.05509	2.9
69.03420	1.3
71.04996	7.0
79.05486	2.6
80.05028	0.5
81.03422	0.5
81.07044	1.5
81.72470	0.4
83.01331	1.1
83.19601	0.3
91.05470	1.4
93.05730	0.4
93.07043	0.6
95.04966	2.5
97.02910	0.4
98.97632	0.4
99.04451	2.2
101.60752	0.4
106.06536	0.5
107.04959	3.1
108.04431	0.5
109.06512	4.1
117.05748	0.6
118.06551	0.8
120.08105	6.7
121.06526	0.5
122.09630	0.4
123.04384	0.4
125.05991	1.1
127.03918	0.5
128.06229	0.5
130.06526	1.1
131.07280	0.6
132.08121	2.6
133.08888	1.2
134.05968	0.4
135.04399	4.8
135.86612	0.4
136.05205	0.3
137.05994	2.0
139.07550	1.2
140.04701	0.6
144.08096	4.6
146.06015	1.6
146.09647	1.0
148.07587	1.1
149.05995	0.5
150.09143	0.8
151.03886	1.7
155.03456	0.6
155.07080	3.7
156.08118	1.4
157.08876	0.6
158.05997	0.9
158.09702	0.9
159.06775	1.5
160.07597	5.0
161.12015	0.9
162.12779	7.8
165.05457	2.3
167.07033	5.4
170.09695	1.0
171.10435	0.5
172.07571	3.6
172.11247	2.4
173.08354	1.6
173.11983	0.7
174.09152	1.2
174.12737	0.7
182.09691	0.7
183.06491	2.4
183.10477	1.0
184.11259	1.2
185.12003	0.6
186.09146	1.4
186.12805	0.6
188.10651	1.2
190.12260	0.5
195.06566	1.5
199.09891	0.5
200.10713	1.6
200.14404	0.8
201.11537	1.3
202.12268	13.0
203.12473	0.4
208.11134	0.6
210.09129	0.9
212.10622	0.4
212.14326	1.6
216.10178	0.8
228.10301	0.4
228.13892	1.4
229.11023	0.9
230.15341	0.7
235.09921	0.5
236.10722	0.6
237.11423	0.5
238.08609	1.2
240.13840	1.1
244.09361	0.4
250.12202	1.8
252.10127	1.2
252.14040	0.6
258.14951	0.8
266.11511	0.4
268.13385	1.4
278.11450	0.5
282.11096	0.4
286.14429	1.1
292.13290	0.8
296.12985	0.9
306.14819	0.6
310.14328	1.1
312.12366	1.6
320.16568	0.5
328.15353	0.9
338.17456	1.9
339.17679	0.5
340.19040	1.3
342.13367	7.8
356.18448	0.6
366.16907	3.1
384.18057	100.0
385.14038	0.4
385.18451	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	384.1809
Annotation	Torrubiellone D
Peak:m/z	Relative Intensity
62.23544	1.2
67.05511	2.4
71.04995	6.2
79.05490	1.8
83.01347	10.0
83.59465	1.2
89.18738	1.2
91.05480	1.6
95.04957	2.4
99.04441	3.5
106.06581	1.3
107.04974	2.1
109.06519	4.9
120.08089	6.1
130.06543	1.6
132.08012	2.5
135.04453	4.1
137.06029	1.7
140.73982	1.2
142.06561	1.5
143.07266	1.8
144.08095	4.3
146.06041	1.3
151.03923	2.0
155.07129	3.8
157.08801	1.6
159.06804	2.0
160.07579	6.4
162.12740	8.1
165.05524	3.5
167.07088	6.9
168.08092	2.6
169.08849	1.4
172.07571	3.2
172.11240	1.7
182.09656	2.0
183.06569	2.0
184.07599	1.5
184.11201	1.6
190.12357	1.4
194.09636	3.9
195.06506	1.7
195.10266	2.0
196.07571	1.9
196.11229	1.5
198.09171	1.6
202.12259	12.1
206.09779	1.6
207.10458	3.0
208.11224	3.1
210.09206	1.9
212.14328	6.2
214.08698	2.1
221.08397	3.4
222.09175	5.3
224.10709	3.0
225.11272	1.6
228.13799	3.2
234.09120	2.1
235.09955	5.6
236.10667	10.9
238.08647	5.0
240.13860	4.7
248.10587	1.6
250.08588	3.3
250.12289	2.1
250.15976	4.7
252.10173	10.0
252.13928	2.6
253.11017	2.0
257.14084	2.0
264.10211	9.4
265.10730	2.6
266.08234	4.7
266.11697	1.5
267.08868	2.1
268.13220	2.7
278.11948	2.3
278.15500	7.1
279.16238	3.1
280.09735	20.9
280.12906	2.1
280.16699	1.5
281.10358	4.5
282.11093	2.8
282.18439	1.5
283.15671	2.0
292.13370	2.1
294.11288	1.4
294.18542	1.4
295.15616	3.5
296.12726	1.9
306.14987	7.0
307.15616	3.0
308.12808	1.9
308.16327	1.9
310.10815	2.0
310.18082	4.8
312.12506	2.5
323.15353	6.9
338.17490	76.2
339.17792	5.2
342.13370	5.6
366.17004	88.6
367.17413	7.8
384.18057	100.0
385.18457	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	384.1809
Annotation	Dehydrothalicsimidine
Peak:m/z	Relative Intensity
51.42328	0.8
51.91317	0.7
55.05513	0.7
57.07059	1.2
59.22592	0.7
62.15541	0.7
67.05494	1.2
69.03429	0.7
71.42576	0.8
79.05499	1.6
81.03416	1.2
81.07062	1.9
83.01337	1.1
83.04992	3.3
85.06530	0.9
93.07048	1.0
93.98653	0.8
94.06567	0.8
95.04998	1.1
95.08586	1.3
99.04476	2.1
104.21365	0.7
105.07053	1.4
109.10149	0.8
119.08588	1.0
121.10114	0.9
123.04494	1.0
127.03951	2.7
131.08716	0.9
133.10158	1.2
136.11214	1.0
139.03929	2.0
155.03391	1.3
159.11650	0.8
171.08282	0.9
176.10611	0.9
184.07584	1.1
190.12285	2.3
208.11282	1.0
209.11800	1.3
210.09303	1.1
212.10655	0.9
213.07866	1.0
214.08751	1.6
216.13857	1.0
222.09122	1.0
223.07437	1.0
223.09737	1.5
224.10800	0.8
225.09216	1.1
226.08640	0.7
226.12193	1.0
227.07153	1.9
228.13853	2.4
236.10783	1.7
237.11308	1.6
238.08533	0.9
238.15985	1.2
240.10088	1.3
240.13808	1.0
244.13304	1.4
252.10265	2.1
252.13760	1.1
253.11095	1.0
254.11809	1.8
256.13336	1.2
264.10248	1.2
265.10928	0.9
267.09738	0.8
268.13220	1.3
278.15482	1.8
280.09842	1.6
280.17004	1.6
281.14230	0.8
282.11246	1.8
282.14777	1.8
286.14322	6.3
287.14825	1.0
287.71948	0.9
293.17435	1.0
296.13095	0.8
296.16498	3.1
298.10849	0.8
298.14185	1.0
306.14938	2.3
308.12976	1.7
308.16406	1.4
310.17944	2.8
312.12335	1.0
317.21140	1.1
323.15237	2.1
324.15796	1.6
325.10776	2.4
325.16852	1.0
334.14615	0.9
335.22223	1.1
338.17639	4.6
339.18082	1.3
340.19177	1.9
356.18475	2.1
366.17010	2.1
372.77090	0.8
384.18082	100.0
384.39532	1.1
385.18463	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	384.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.8
57.07085	1.9
59.05023	1.7
61.02927	4.0
69.03433	20.6
69.33627	8.5
71.04990	3.3
73.02930	4.9
73.06554	2.3
75.14271	1.7
81.03436	8.4
82.89776	1.9
85.02910	68.7
85.06510	1.8
87.04470	27.7
91.03965	3.1
97.02902	21.2
99.04465	6.1
101.06035	2.2
103.03935	1.7
105.07080	1.7
109.02885	12.0
115.03934	100.0
116.04273	1.7
126.01123	2.2
127.03912	40.4
133.04974	35.0
133.05933	2.8
145.04967	40.1
159.10191	2.8
163.06024	10.5
241.07059	3.3
242.03543	1.6
248.72095	1.8
259.08078	11.9
277.09216	32.3
296.92343	1.8
297.15866	1.7
331.13803	4.0
366.19083	7.2
366.22427	7.5
384.10907	2.6
384.20007	19.3
384.23569	19.4
385.14966	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	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
61.02927	4.1
69.03429	18.7
69.49884	6.8
71.04979	2.2
73.02906	4.9
73.06528	1.9
81.03430	9.9
85.02904	66.3
85.03419	3.2
87.04472	23.2
91.03955	4.1
97.02892	16.0
97.87515	1.3
99.04456	3.9
103.03918	1.8
105.63445	1.6
109.02874	6.8
114.96793	1.5
115.03932	100.0
116.04270	2.7
121.73922	1.5
127.03918	33.3
133.04967	31.7
145.04959	31.2
163.06065	7.3
259.08109	10.6
277.09171	30.7
278.09637	2.0
314.40674	1.6
331.13953	2.5
335.00665	1.5
369.71921	1.6
384.23639	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	384.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01866	1.5
57.03445	4.2
61.02937	4.6
69.03431	20.7
69.43795	2.9
71.04998	2.1
73.02921	6.2
73.06570	1.9
81.03421	11.4
81.07060	1.4
85.02909	70.8
86.03249	1.4
87.04475	22.8
91.03954	3.7
97.02895	19.0
99.04460	3.6
101.02377	1.2
103.03964	1.3
105.01877	1.0
109.02897	11.0
115.03934	100.0
116.04286	1.7
123.11716	1.2
127.03915	32.6
128.04233	1.3
133.03943	1.7
133.04968	35.5
134.05280	1.3
145.04970	37.3
146.05389	1.6
157.05000	1.2
160.07590	1.2
160.48611	0.8
163.06017	11.2
167.07146	0.8
202.12190	2.1
241.06911	1.2
256.13046	0.8
259.08157	10.2
277.09180	28.6
278.09607	1.4
371.18710	0.8
384.17908	1.1
384.23694	1.4
392.83212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.4
69.13293	9.1
71.08633	92.5
73.02922	3.0
84.86893	1.8
85.02910	11.5
90.07353	1.4
95.01328	7.1
99.08092	77.1
100.08416	1.8
113.02364	4.5
117.09127	7.7
141.01819	15.7
152.18555	1.5
159.02934	3.4
173.11737	100.0
174.12096	3.3
178.03665	1.7
178.74896	1.5
191.12787	81.5
192.13069	3.3
251.09853	1.8
255.80479	1.7
292.91693	1.8
384.23538	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.4
69.13293	9.1
71.08633	92.5
73.02922	3.0
84.86893	1.8
85.02910	11.5
90.07353	1.4
95.01328	7.1
99.08092	77.1
100.08416	1.8
113.02364	4.5
117.09127	7.7
141.01819	15.7
152.18555	1.5
159.02934	3.4
173.11737	100.0
174.12096	3.3
178.03665	1.7
178.74896	1.5
191.12787	81.5
192.13069	3.3
251.09853	1.8
255.80479	1.7
292.91693	1.8
384.23538	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05510	1.2
56.05043	0.7
59.46373	0.5
67.05505	1.9
68.05035	0.7
69.03431	3.3
69.07080	1.8
70.06592	4.0
71.04989	1.4
72.32249	0.7
75.21726	0.5
79.05492	0.7
80.05029	1.1
81.07064	2.1
83.04972	0.8
84.08163	0.9
85.02906	5.1
85.06541	0.8
86.09689	0.7
87.04476	1.8
91.05499	1.7
93.07071	1.9
94.06596	1.9
95.04975	1.5
95.06106	1.0
95.08635	1.0
96.08135	2.6
98.09715	1.1
99.04462	1.4
101.06052	0.9
105.07037	1.6
106.00684	0.6
107.08600	1.5
108.08110	0.8
109.06480	0.6
110.07150	3.8
110.09660	1.2
113.06073	0.6
115.03917	5.8
122.09674	2.6
122.12791	0.6
124.11237	1.5
125.05978	0.8
125.09574	0.8
127.03943	1.9
131.08594	0.8
133.04953	1.5
133.10089	0.7
136.11206	3.1
145.04996	1.9
145.10065	0.8
146.05981	0.8
148.11191	0.8
150.09148	2.3
150.12822	1.7
152.10806	0.8
160.11200	0.9
162.12816	1.6
164.14372	1.9
168.10237	1.3
176.14450	0.8
182.11824	0.6
236.16536	2.8
244.24564	0.6
254.17543	1.0
266.17746	1.4
274.18033	1.4
277.09262	1.8
291.86542	0.6
292.19043	16.8
293.19373	1.2
301.75900	0.6
320.22296	0.8
337.07324	0.6
338.20654	2.2
340.21231	1.1
348.21649	3.9
366.22729	34.8
367.23053	3.8
384.23853	100.0
385.24219	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	384.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28186	0.3
52.64571	0.4
55.01877	0.9
55.05502	0.7
56.05031	1.4
57.03432	0.5
57.07078	4.3
67.05495	1.7
67.71973	0.4
69.03423	3.3
69.34046	2.0
70.06589	4.8
72.08163	0.6
75.04483	0.5
79.05492	1.2
80.05025	0.4
81.03446	0.5
81.07063	1.3
82.06577	0.6
84.08131	1.3
85.02899	2.5
85.06550	5.4
86.09703	1.5
87.04472	2.1
91.05490	0.9
93.07040	1.5
95.08611	0.9
96.08127	1.0
97.02895	1.2
98.09710	0.6
99.04478	0.6
105.07012	1.1
107.08614	0.8
110.07182	0.7
110.09672	1.4
115.03930	2.5
116.07121	0.6
119.08601	0.8
120.08112	1.0
122.09702	0.6
124.07586	0.6
125.05999	1.2
126.09165	0.4
127.03912	0.6
131.08586	0.6
133.10104	0.6
134.09650	1.4
136.11226	2.0
141.12689	0.6
145.10133	1.4
146.09636	0.9
147.11734	0.4
148.11192	0.5
149.12015	0.4
150.09270	0.4
150.12804	1.2
159.10173	9.1
159.11447	0.4
160.11232	1.4
162.12804	3.2
163.13568	0.7
164.14351	0.9
176.14316	0.6
177.11226	4.5
184.13353	0.5
208.16963	0.6
210.78854	0.4
215.13922	0.7
216.13843	0.5
226.14427	0.5
234.14812	2.4
236.16431	5.3
237.16992	0.4
242.15329	0.4
246.18646	0.6
250.17958	0.5
254.17542	1.7
260.16562	0.5
261.89752	0.4
266.17468	0.5
274.18085	1.4
292.19055	11.3
293.19360	1.2
312.19632	0.5
320.22223	1.1
330.20233	0.5
348.21652	7.7
349.15057	0.5
366.22763	29.8
367.22931	2.4
384.23807	100.0
385.24136	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	384.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23261	0.3
55.01865	0.8
56.05021	0.6
57.03183	0.4
57.03440	5.3
57.98095	0.3
60.01200	0.3
61.02926	1.9
67.05489	1.0
69.03424	1.3
69.53700	1.3
70.06577	0.9
71.04969	0.5
73.06541	0.4
79.05482	0.8
80.05019	0.9
81.07059	0.5
82.06583	0.6
84.08144	0.7
85.02902	8.4
91.05466	0.5
93.07047	0.7
94.06554	1.3
95.08601	0.9
96.08120	1.1
97.06543	0.4
99.04431	0.8
105.07021	0.7
107.08556	0.5
108.08110	0.8
110.09677	2.6
115.73858	0.3
117.05492	1.8
119.08570	0.3
120.08126	0.5
122.09652	1.5
123.04377	0.4
123.08065	1.0
124.11201	2.2
125.05986	1.5
125.09632	1.4
129.66356	0.3
134.09651	1.4
136.11224	5.9
146.09621	0.4
148.11180	0.7
150.09129	1.0
152.10715	0.5
155.10657	0.9
160.11227	0.8
162.09138	0.4
162.12764	3.6
174.12755	0.5
176.14342	0.4
178.12326	0.4
180.13885	0.4
182.11737	0.4
190.12244	0.6
190.15852	0.4
192.13814	0.5
200.14473	0.6
204.13885	0.3
206.11745	0.3
206.15408	0.4
218.15398	0.5
224.16521	0.4
228.13792	0.3
234.14986	0.8
236.16454	4.4
246.14891	0.7
250.18005	3.3
252.16017	2.0
256.17081	0.4
266.17523	1.4
268.19073	6.4
269.19461	0.5
278.17505	29.6
279.17889	2.6
304.68839	0.3
310.20056	0.9
320.18494	2.9
334.20197	0.9
338.23120	0.4
352.21155	9.2
353.21429	0.8
366.22751	26.5
367.23187	3.2
384.23795	100.0
385.24130	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	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43417	5.1
70.06585	19.4
70.68723	10.2
88.42583	5.5
90.63934	5.9
134.02699	13.1
136.06194	24.2
144.23190	6.7
151.92877	6.4
171.88101	7.0
204.62993	6.2
384.23688	20.5
385.08978	100.0
385.14633	10.4
385.25317	21.8
403.06555	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	385.1284
Annotation	(2,4-cis)-3',4-Methylenedioxy-4,5,8-trimethoxy-[2'',3'':7,6]-furanoflavan
Peak:m/z	Relative Intensity
50.74665	0.3
51.02369	0.7
53.03942	0.4
55.01863	0.6
55.05500	0.4
65.03927	1.0
67.05511	0.7
69.03424	0.8
77.03925	0.9
79.05490	3.8
79.19115	0.3
81.03403	0.4
81.07066	0.7
81.36124	0.3
85.02895	0.6
91.05480	0.9
93.07049	0.6
95.04956	2.5
95.08636	0.3
105.03375	1.2
105.04521	0.8
105.06996	0.4
107.04944	0.8
107.08588	0.4
110.03648	0.5
114.15633	0.3
115.05437	2.0
117.07000	1.2
119.08593	0.3
121.06519	0.6
121.10094	0.3
123.04437	0.5
125.06063	0.4
129.06998	0.6
135.04411	100.0
136.04756	3.0
137.05981	0.4
138.03099	0.3
143.04932	2.2
145.06493	1.7
145.07477	0.3
147.08052	0.5
149.02338	3.0
149.03421	0.5
153.05447	0.7
155.06046	0.8
162.12752	0.4
167.07042	8.6
168.07391	0.4
171.04411	0.5
171.06525	1.0
173.05989	3.2
181.04947	13.0
182.05318	0.6
193.04994	0.5
195.62018	0.3
201.05449	2.0
201.92540	0.3
203.07019	0.7
204.13814	2.0
205.08656	0.9
233.08150	0.5
235.09604	2.3
238.09470	0.3
247.09866	0.5
255.10272	0.3
271.13419	0.4
355.11768	11.0
356.12054	0.6
385.12808	37.0
385.23233	1.0
386.13229	3.3
386.19434	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	385.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01875	0.3
55.83471	0.2
58.15025	0.2
63.76269	0.2
65.03946	5.3
67.05513	2.0
69.03438	0.5
77.03939	0.3
79.05486	0.6
81.03419	0.3
81.07060	0.5
82.04210	2.2
85.02913	3.3
91.05496	0.4
93.03416	1.3
93.07053	0.4
95.04958	0.7
95.08607	0.3
97.02874	0.2
97.06531	1.3
98.22648	0.6
99.04463	0.3
105.04481	0.3
107.04948	0.3
108.02056	0.5
110.03680	2.4
111.04428	0.9
113.98290	0.2
120.87165	0.2
123.00735	0.4
125.05980	1.2
130.06506	0.4
132.08081	0.7
133.69475	0.2
135.04410	1.0
138.03107	1.4
142.02635	0.6
153.05449	4.1
159.07901	0.3
159.09189	4.4
167.07004	0.3
171.06549	4.4
181.04962	100.0
182.05293	3.0
204.13803	1.1
226.71381	0.2
234.26805	0.2
235.56451	0.3
339.13461	0.3
355.11865	0.2
385.13107	0.7
386.19611	2.8
403.61935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
69.73126	2.1
79.05502	3.1
91.05478	2.5
95.04962	3.4
95.46093	0.6
103.05466	7.0
105.03403	10.0
105.04513	1.9
107.04957	100.0
108.05308	2.4
108.95947	0.7
115.05442	1.2
115.53788	0.6
117.07043	1.0
119.04924	2.4
129.07076	0.9
129.83885	0.6
131.04927	37.8
132.05782	1.5
133.06560	0.7
141.06984	3.5
145.06499	2.7
157.06583	1.5
165.07097	0.7
165.91628	0.6
169.06483	12.0
170.07028	1.2
177.22063	0.7
192.09460	0.7
194.07237	0.9
202.07806	5.1
203.08516	0.8
205.06577	1.0
207.08018	1.6
207.11664	1.3
209.26933	0.7
215.08574	1.6
217.10095	1.9
219.08099	3.0
220.08864	6.0
226.07848	1.3
231.08067	2.2
233.09683	0.7
235.11160	7.3
242.15454	1.2
244.09048	0.9
245.09584	5.0
246.10468	1.1
247.07562	2.6
248.08319	4.3
261.09094	1.1
263.10675	28.9
264.11023	1.9
340.19028	1.0
384.38483	0.8
385.20984	1.9
385.29584	0.9
386.19788	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	385.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
52.56533	0.3
53.03951	0.8
55.01873	0.6
69.94539	1.0
76.00089	0.3
77.03943	1.2
79.05491	2.1
81.07072	0.5
91.05509	2.0
95.04978	3.1
95.08599	0.6
103.05473	6.8
105.03401	8.8
105.04462	1.7
107.04956	100.0
108.05293	2.6
115.05464	1.3
117.07028	1.1
119.04954	1.8
121.02818	0.3
129.07034	0.8
131.04932	35.8
132.05827	2.8
141.07001	3.7
142.07700	0.4
145.06468	2.2
147.04401	0.6
157.06487	1.6
165.06995	0.6
169.06499	11.2
170.07158	1.1
170.56912	0.4
171.08087	0.5
172.11163	0.3
178.07835	0.5
179.08537	0.9
191.08604	0.5
192.09331	0.7
193.00758	0.3
194.07190	1.1
202.07744	4.2
203.08504	1.1
205.06604	0.4
207.08107	1.9
207.11621	0.5
215.08632	1.2
216.09204	0.4
217.10124	2.0
218.07327	0.7
219.08047	2.7
220.08815	6.0
221.09535	0.5
226.07813	1.3
227.08563	1.4
231.08096	1.4
233.09631	1.1
235.07626	0.6
235.11197	6.3
236.11554	0.4
244.08850	1.3
245.09596	4.7
246.10269	1.3
247.07570	2.5
248.08325	4.4
260.16687	0.4
261.09390	0.4
262.09875	0.6
263.10678	26.3
264.11050	1.5
306.82343	0.3
340.19113	0.5
368.18423	0.4
384.38330	0.4
385.29431	1.1
386.19507	2.1
407.04358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	22.3
55.05511	73.3
57.03441	20.7
57.07061	4.3
67.05508	63.5
69.03432	10.3
69.07065	19.0
69.28761	17.4
71.04990	9.7
71.08640	26.3
72.08131	3.3
79.05494	38.6
81.03441	14.8
81.03862	3.0
81.07063	55.2
83.04972	23.7
83.08623	36.2
83.34975	3.1
85.02919	4.7
85.06535	4.5
85.77024	3.2
91.05482	28.9
93.07049	33.5
95.04971	35.8
95.08607	26.6
97.06507	7.0
97.10170	48.3
98.90030	3.2
99.04440	11.7
99.08078	15.1
105.06414	3.0
105.06994	15.3
107.04968	8.7
107.08587	30.5
109.06526	4.0
109.10178	21.0
111.04461	18.1
111.08109	11.3
117.07018	10.3
119.08609	10.8
120.72915	3.0
121.06492	6.0
121.10149	16.3
121.59084	3.3
125.06010	2.9
125.09637	47.5
129.07016	3.0
131.08592	10.7
133.10115	10.5
135.08044	10.1
135.11691	14.9
135.77844	2.9
137.05986	4.5
139.07483	3.1
139.11253	3.9
145.10126	14.8
146.09673	4.3
147.11711	9.1
149.09625	7.1
151.11188	6.6
153.09158	10.4
153.12769	6.8
155.10696	4.3
159.11702	3.7
162.12868	4.8
163.11195	27.8
165.12828	5.2
167.10689	5.7
171.10242	4.9
172.11259	4.8
173.09679	4.3
173.11760	6.3
177.12764	9.5
181.12231	7.5
185.12007	5.1
189.11230	52.8
191.10744	3.6
193.05023	4.8
195.13800	11.2
200.10728	4.6
211.13313	6.0
214.15907	4.8
223.13333	10.9
224.14032	3.9
227.12778	16.0
229.14288	7.1
242.15433	11.2
260.16431	8.0
270.15051	6.2
275.20035	30.9
276.15894	5.1
292.05286	3.2
293.21082	91.8
293.24359	5.6
294.21332	6.9
340.19080	8.9
361.91077	3.6
367.24780	19.8
368.18503	8.4
385.18600	11.6
385.21909	3.6
385.25900	39.5
386.19647	100.0
386.25262	5.7
386.26437	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	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
55.05515	10.6
55.33156	2.2
57.03439	4.1
67.05497	11.6
67.99603	2.0
69.03442	10.8
69.07056	7.6
70.07634	5.8
71.08634	13.8
74.46799	2.4
79.05489	9.6
80.89285	2.2
81.00299	2.1
81.03423	6.0
81.07054	12.9
83.08617	6.0
83.39280	1.8
91.05476	3.4
93.07051	8.2
95.04962	6.3
95.08625	4.9
97.10184	5.7
99.04443	6.1
99.08111	10.1
105.07029	6.4
107.04952	4.5
107.08600	4.9
109.06505	2.1
109.10186	3.0
111.99248	2.1
117.07026	2.2
121.06505	3.6
125.09609	5.4
131.08549	2.8
134.09613	2.1
144.08003	2.1
146.09592	2.8
155.03400	21.4
156.03745	9.9
162.12845	3.1
165.12723	2.8
172.11130	2.2
177.12805	2.3
185.11931	2.9
188.10645	2.2
193.12224	5.1
214.15915	4.2
230.15475	4.9
231.15724	12.3
242.15425	4.1
260.16483	2.9
270.14798	2.3
275.19995	6.5
276.15958	4.5
282.11572	2.0
293.21112	100.0
294.21503	8.7
299.58493	2.0
303.62280	2.3
340.18991	11.8
367.24774	40.5
368.18619	12.1
368.25269	3.8
385.18198	4.8
385.25613	3.0
386.15073	3.7
386.19632	38.7
396.63483	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	385.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01856	1.0
55.05510	39.5
57.03437	17.7
57.07075	35.1
57.07316	0.3
57.07374	0.7
59.04996	1.0
65.03945	0.8
65.84715	0.5
67.05502	15.9
69.03423	0.9
69.07066	49.8
70.07389	1.1
70.61289	0.7
71.04979	2.4
71.08631	22.9
72.08950	0.6
73.06550	1.7
75.04462	1.0
79.05484	7.2
81.07053	22.8
82.07355	0.6
83.04966	2.1
83.08618	34.0
85.06535	2.0
85.10173	10.9
91.05498	1.0
93.07042	10.7
95.08604	19.1
97.06527	8.8
97.10166	25.2
98.10503	0.7
99.08096	1.2
99.11717	0.9
101.06010	1.8
107.07915	0.7
107.08586	7.4
109.10152	10.4
111.08093	6.1
111.11711	7.0
115.07551	2.5
121.10136	10.6
123.11703	4.6
125.09641	6.7
125.13257	2.1
127.11304	0.5
129.09111	1.6
135.11682	11.2
137.13266	2.0
139.11182	6.4
139.14798	0.8
143.10652	2.3
149.13249	6.9
150.98367	0.7
153.12743	4.6
157.12254	1.3
163.14822	3.6
167.14317	2.8
171.13799	1.2
177.16394	2.9
181.15875	2.1
185.15399	0.8
191.17981	2.2
193.19641	0.5
195.17467	2.2
199.16930	0.8
205.19525	2.1
209.19037	1.7
213.18567	0.9
219.21123	1.4
223.20543	1.7
225.08755	0.5
233.22717	0.6
237.22098	0.7
242.15546	0.6
260.16653	0.7
266.07248	0.6
275.27359	6.2
293.28369	13.8
311.29459	0.9
340.19141	0.8
367.32037	11.4
368.32275	1.0
385.33112	100.0
386.19800	3.3
386.33447	9.3
386.39774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1962
Annotation	Muramine
Peak:m/z	Relative Intensity
55.01868	0.9
55.05511	0.2
56.05029	0.4
67.05502	0.9
69.03419	2.1
69.56338	0.2
69.56673	1.0
70.06595	0.3
71.04975	0.4
79.05489	0.6
80.05016	0.8
82.06583	0.3
83.08591	0.3
91.05473	0.6
93.07034	0.5
94.06556	0.6
95.04932	0.3
95.08617	0.3
96.08109	0.5
97.06542	0.3
99.04461	0.5
105.07039	0.8
106.06568	0.5
108.08134	0.4
109.02870	0.3
109.06499	0.3
115.86008	0.2
119.08568	0.3
120.08083	0.7
121.06496	0.3
122.09670	0.5
123.04444	0.4
125.05978	0.5
129.06998	0.4
131.08580	0.4
132.08107	0.5
133.08824	0.3
134.09645	2.5
136.11192	0.6
136.18768	0.2
142.07776	0.3
143.08537	0.3
144.08090	0.4
144.32704	0.2
145.06485	0.3
145.08943	0.3
145.10103	0.5
146.09663	0.5
148.11212	0.4
150.09175	0.4
155.08536	0.2
157.10118	0.3
158.09622	0.5
158.30852	0.3
159.08087	0.3
160.07574	0.3
160.08807	0.2
160.11182	1.5
161.12032	0.3
162.09143	0.4
162.12775	13.0
163.09970	0.4
163.13289	0.5
164.10716	1.1
169.10121	0.3
170.09702	0.4
172.11198	1.2
173.09616	0.5
174.09244	0.3
174.12778	3.0
175.11124	0.4
175.13506	0.7
176.10698	0.9
177.05461	0.3
184.11240	0.6
185.11858	0.3
186.12775	0.9
188.10681	1.2
188.14270	0.6
190.12257	8.3
191.12799	0.5
196.11327	0.2
198.12662	0.4
199.11214	0.3
200.10712	2.0
200.14285	0.6
201.11459	0.5
202.12262	1.1
204.13858	0.3
210.12830	0.3
213.09070	0.4
214.12256	1.6
214.15808	0.4
215.12958	0.3
216.13852	1.2
218.11708	0.3
222.14810	0.3
224.10536	0.3
226.12279	0.9
226.15866	0.3
228.13892	0.4
230.11726	0.4
232.13394	0.4
233.14058	0.5
234.14851	0.4
238.12292	0.4
239.13033	0.5
240.13869	0.8
242.11751	0.5
242.15321	1.7
244.13385	0.6
246.14993	0.3
252.10179	0.3
252.13881	0.8
254.11691	1.4
254.15425	0.5
256.13333	0.5
257.11707	0.5
260.16470	0.5
261.17279	0.5
262.17847	0.3
266.11832	0.6
266.15417	0.4
268.13245	0.4
268.16888	0.5
270.14777	1.5
271.15628	0.3
272.16467	0.7
273.17249	0.8
280.13266	1.7
281.14063	0.8
284.16522	0.4
286.14496	1.4
287.15079	1.2
288.15921	4.3
289.16696	7.1
290.17172	0.3
294.14880	0.5
294.18564	0.3
312.15970	8.3
312.19424	0.7
313.16422	0.6
314.17511	0.3
314.21024	0.3
322.17905	0.7
324.19678	0.4
330.17142	0.3
330.20639	1.3
340.19205	1.2
342.20599	3.0
350.17596	0.4
358.20132	4.5
359.20532	0.3
368.18570	5.7
369.18958	0.4
386.19592	100.0
387.19922	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	386.1962
Annotation	Muramine
Peak:m/z	Relative Intensity
55.01889	0.7
56.39595	0.5
67.05499	1.0
69.03426	2.0
70.88198	0.7
71.04980	0.4
73.92538	0.4
78.29081	0.4
99.04463	0.5
105.07020	0.6
117.61636	0.5
120.08153	0.6
122.09679	0.5
132.08046	0.5
134.09666	2.2
136.11206	0.4
140.10275	0.5
145.08923	0.4
148.11264	0.5
158.09587	0.5
160.11215	0.9
162.12801	6.4
164.10710	0.5
172.11194	1.0
174.09242	0.5
174.12756	3.7
175.13518	1.3
176.10651	0.6
177.05470	0.8
184.11206	1.0
186.12807	1.2
188.10756	0.5
190.12259	4.2
200.10722	0.8
202.12274	1.0
203.11154	0.5
210.12872	0.5
214.12305	1.0
216.13887	1.0
230.11711	0.6
232.13118	0.5
240.13925	0.9
242.15437	1.4
244.13129	0.6
252.13673	0.7
254.11780	2.1
256.13251	0.7
260.16632	0.8
266.11679	1.1
270.14972	0.9
273.17270	0.7
280.13446	1.5
286.14423	0.7
288.15918	2.7
289.16687	3.8
312.16000	5.3
330.20538	1.1
340.19098	1.7
342.20807	3.4
354.16998	0.5
358.20157	2.7
368.18573	8.3
386.19617	100.0
387.19968	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	386.1965
Annotation	Muramine
Peak:m/z	Relative Intensity
55.05515	0.9
55.68663	0.4
56.65516	0.5
63.27165	0.4
67.05501	1.5
69.03426	0.5
69.38732	1.4
69.39140	1.0
71.04998	5.6
79.05471	0.8
80.05013	0.9
81.07076	1.1
82.06596	0.6
91.05484	1.3
93.07045	1.0
94.45016	0.5
95.08623	2.7
95.09147	0.5
96.47907	0.4
97.24754	0.4
99.04459	12.4
101.03113	0.4
105.07063	0.4
106.06583	0.9
108.08046	0.5
109.06558	0.6
120.08110	2.3
127.03907	1.2
130.06509	0.9
132.08078	3.3
133.08905	1.0
134.09686	1.5
137.05954	2.2
144.08127	1.9
145.08875	1.1
146.09656	9.6
146.10698	0.8
147.10432	1.1
148.07544	1.0
157.08905	0.9
158.09650	4.4
159.10443	4.3
160.07594	4.5
160.11237	1.5
162.12733	3.7
170.09691	1.9
171.10439	1.6
172.11217	12.2
172.12608	0.9
173.11934	2.2
174.09132	1.8
174.12801	2.2
175.09891	2.1
176.10480	0.5
178.08611	1.2
182.09653	0.6
184.11198	4.2
185.11998	12.2
186.09224	0.5
186.12790	9.7
186.14449	0.6
187.13605	3.1
188.10748	1.0
188.14331	5.0
190.12291	4.6
196.11230	1.7
197.11996	3.4
198.12761	4.7
199.13403	0.5
200.10699	5.0
201.11479	0.6
202.12273	1.5
209.11996	1.1
210.12630	0.5
212.10760	1.7
212.14424	0.7
213.11430	6.5
213.15034	0.5
214.12372	3.1
214.15904	12.4
215.13013	0.6
215.16377	0.7
216.13834	3.6
217.14230	0.6
218.11783	8.1
219.12077	0.5
224.14366	4.2
227.13115	0.9
230.11742	1.7
231.12503	3.3
232.13271	1.7
237.11545	0.8
242.15405	33.5
243.15842	2.3
252.13814	2.1
258.14786	0.8
260.16476	18.3
266.09369	7.9
266.11853	0.7
270.14880	11.6
271.15280	0.9
276.16000	2.0
288.15964	11.2
289.16296	1.2
298.14447	0.6
300.15900	0.6
312.15799	0.7
313.10571	0.5
313.16650	1.1
340.19089	32.2
341.19409	2.2
342.20551	0.6
345.10315	0.7
368.18567	20.1
369.18893	1.6
386.19623	100.0
387.15826	8.8
387.20050	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	386.1964
Annotation	Muramine
Peak:m/z	Relative Intensity
53.03920	0.7
67.05481	0.8
69.03446	0.6
70.72897	0.6
71.04997	5.1
76.61357	0.6
80.05004	0.7
81.07036	0.9
81.59734	0.6
89.74529	0.5
95.08611	3.2
99.04462	14.4
106.06567	1.5
120.08115	3.3
127.03909	0.9
131.07324	1.2
132.08096	5.8
133.08859	1.7
134.09639	1.7
137.05966	1.0
144.08083	2.6
146.09645	11.3
147.10403	1.7
156.08153	0.6
157.08899	1.2
158.09668	4.2
159.10434	5.7
160.07610	4.7
160.11243	2.0
162.09081	0.9
162.12732	4.7
170.09651	2.7
171.10400	2.2
172.11217	15.7
172.12617	1.1
173.11998	3.1
174.09146	2.4
174.12737	2.2
175.09926	2.5
181.31346	0.7
182.09622	0.8
184.11218	7.0
185.12009	12.8
186.09140	1.0
186.12756	12.1
187.13531	4.0
188.14333	5.3
190.12247	4.9
196.11261	2.0
197.12036	3.7
198.12793	4.5
199.13445	0.7
200.10698	6.5
201.11307	0.9
202.12245	1.9
209.11946	1.2
212.10696	2.0
213.11493	6.5
213.15144	0.9
214.12436	2.9
214.15894	16.1
215.13058	1.3
215.16331	1.2
216.13780	4.3
218.11761	11.9
218.13704	1.1
219.12123	0.8
224.14339	5.0
226.15921	0.9
230.11732	2.0
231.12538	4.3
232.13368	1.8
242.15396	35.7
243.15744	2.5
252.13834	2.7
260.16470	22.6
261.16776	1.1
270.14905	12.9
288.15976	11.1
300.16055	1.0
313.16730	1.0
340.19086	32.1
341.19434	2.4
368.18564	20.4
386.19617	100.0
387.19962	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	386.1964
Annotation	Delnuttaline
Peak:m/z	Relative Intensity
55.09137	1.3
58.44209	1.0
69.69398	2.7
69.69746	1.9
77.63668	0.9
91.05515	1.3
107.04882	1.1
117.05766	2.1
118.06553	2.4
123.65333	0.9
130.06523	3.7
131.07285	1.6
131.47969	1.1
143.07306	2.3
144.08092	2.5
157.08897	1.5
158.09642	1.8
160.07602	9.4
168.08093	1.2
170.09660	10.7
171.10396	2.0
172.07507	1.3
174.12810	4.9
181.08852	1.5
182.09583	1.5
186.12787	4.3
194.09695	2.3
195.10460	2.4
196.11214	2.5
197.08354	1.1
198.09088	1.5
200.14348	2.0
202.12267	14.1
203.13058	8.3
204.13741	3.3
206.09612	3.2
207.10466	1.2
210.09102	2.5
210.12842	2.7
211.13388	1.3
212.10648	1.4
213.15092	3.6
214.12320	3.6
214.15955	6.8
220.11194	2.5
222.09099	2.3
222.12721	1.3
223.09923	2.1
223.13492	1.4
224.10710	1.8
224.14247	1.4
226.08600	4.5
230.15370	4.2
234.09186	3.2
235.09900	3.2
236.10767	3.0
237.15144	1.1
238.08623	1.8
238.12276	3.2
238.15988	4.8
240.10165	1.2
242.15305	2.3
248.10709	2.6
249.11530	2.4
250.08688	2.6
250.12305	1.6
251.09441	3.9
252.10123	3.7
252.13956	1.3
254.08099	2.8
254.11676	1.9
254.15498	1.2
256.16843	1.1
258.14880	4.6
264.10034	2.8
264.17667	1.8
265.11029	2.9
266.12009	5.4
266.15292	5.4
267.12366	1.6
268.09653	1.2
269.14078	1.2
277.14682	2.3
280.13422	2.3
280.16980	3.0
281.17697	1.4
282.15054	1.4
290.15317	1.5
292.09732	2.4
292.16977	7.9
293.13983	2.1
294.11548	1.8
294.14880	25.9
294.18338	1.3
295.15134	1.2
297.13388	2.1
307.15622	2.0
308.16440	17.9
309.17102	9.4
312.15930	28.9
312.19568	1.5
313.16406	2.6
322.18030	3.6
324.19534	4.1
340.19089	44.5
341.19470	3.4
350.17535	2.9
368.18561	100.0
369.18857	10.0
386.19699	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	386.1964
Annotation	Delnuttaline
Peak:m/z	Relative Intensity
69.03391	1.1
70.61345	1.5
80.94842	1.3
83.01337	6.1
85.48615	1.0
99.04461	2.4
139.05035	0.9
143.08524	0.9
157.08884	1.3
157.10179	1.0
158.09625	1.4
168.08139	1.1
172.11240	2.6
174.12645	1.5
182.09521	1.2
183.10593	1.3
184.07454	1.2
185.11932	1.9
186.12791	2.8
187.13553	1.1
188.14438	1.7
196.11198	1.5
198.12785	1.3
200.10707	1.6
210.12753	2.5
211.09938	1.4
212.10582	1.0
213.11427	1.6
214.15933	4.2
222.09114	1.4
222.12897	1.0
224.10678	4.2
225.11353	1.7
226.12303	7.8
238.12267	22.9
238.15895	1.3
239.12953	4.0
240.10185	2.8
241.10840	1.2
242.15398	7.8
252.13937	1.3
252.17415	2.4
253.18227	1.0
254.11772	8.3
255.12465	1.8
256.13266	1.5
258.14948	1.8
260.16489	2.9
266.11865	3.5
266.15558	0.9
267.16275	1.1
268.09723	2.0
269.17767	2.9
270.14993	4.8
270.17715	1.1
276.15918	2.6
280.16946	6.0
281.17770	7.4
282.11240	18.9
282.14471	1.4
282.18137	5.5
283.11649	2.2
284.16470	1.9
284.20135	1.2
285.17285	1.2
288.15884	2.2
297.17252	3.5
298.18027	1.5
308.16428	3.7
310.14615	1.9
310.18033	4.6
312.19525	10.6
325.16882	6.3
336.15909	1.6
340.19080	69.0
341.19391	6.0
358.20267	2.9
368.18564	100.0
369.18787	8.4
386.19614	37.4
386.32739	1.3
387.19983	3.1
387.27142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11444	0.1
52.14764	0.1
53.03939	0.2
54.01085	0.1
55.01862	0.2
55.05496	0.2
57.07052	0.4
67.05487	0.3
68.05027	0.8
69.03434	5.6
69.29868	0.3
71.05012	0.1
77.03903	0.2
79.05492	0.8
80.05017	1.2
81.03417	1.4
81.07057	0.2
83.01335	0.2
83.04955	0.1
91.05491	0.5
93.05766	0.3
93.07009	0.3
94.06563	0.9
95.04977	0.2
95.08576	0.1
97.02908	0.7
97.06525	0.1
98.22701	0.2
99.04414	0.1
103.05457	0.2
105.05753	0.1
105.07021	0.1
106.06555	4.6
107.04955	1.0
107.07348	0.2
107.08562	0.1
108.04408	0.1
108.08096	0.4
109.06490	0.2
111.08054	0.1
115.03911	0.2
115.05386	0.1
117.05737	0.4
117.07000	0.4
118.05759	0.1
118.06544	1.8
119.04942	0.1
119.07332	1.0
119.08587	0.1
120.08108	8.0
121.06478	0.2
121.08935	0.8
122.09692	0.8
123.06816	0.1
124.11234	1.3
125.02379	0.5
130.06531	1.7
131.04930	0.2
131.07343	0.7
131.08121	0.1
131.08675	0.1
132.08086	1.2
133.05212	0.4
133.08868	0.4
134.05962	0.4
134.09673	1.2
135.04379	0.4
135.10326	0.1
136.07581	0.1
136.11209	1.0
137.05968	0.3
139.07487	0.2
143.07310	0.4
144.08083	1.0
145.06477	0.3
145.08986	0.1
146.05992	1.0
146.09665	0.4
147.06793	3.3
147.07956	0.1
148.07579	5.0
148.11234	0.2
149.08395	0.6
150.09155	0.5
151.07526	0.2
153.01842	2.8
153.05441	0.5
156.08049	0.1
157.08855	0.2
158.09697	0.2
159.10388	0.1
160.07556	0.8
160.11215	1.0
161.08372	2.5
161.09558	0.1
161.11966	0.3
162.07735	0.2
162.09148	7.1
162.12781	8.4
163.03888	0.1
163.09532	0.3
163.13332	0.4
164.14320	0.7
167.07040	0.3
172.11137	0.2
173.12018	0.3
174.09119	0.2
174.12769	2.6
175.09927	0.5
175.13309	0.2
176.10776	0.3
176.14355	2.9
179.07175	0.1
186.12785	2.1
188.10701	0.4
189.11331	0.1
190.12210	0.7
191.13000	0.2
192.13824	0.3
195.06529	0.3
202.12285	0.4
203.09354	0.4
204.13837	100.0
205.14183	5.0
205.15652	0.1
214.16016	0.1
218.11784	0.3
218.15388	0.3
223.05998	0.6
225.07619	0.1
232.16959	0.4
242.15404	0.1
258.14908	0.3
260.16470	3.8
260.19199	0.2
261.16800	0.3
288.15869	0.1
341.17496	0.2
358.19989	0.2
368.18631	0.6
386.19620	10.8
387.19946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01873	2.5
55.05522	2.7
57.03437	24.8
59.05014	2.0
61.02924	10.8
62.32555	1.0
63.11436	1.0
68.34082	1.0
69.03429	35.3
69.36117	1.2
69.47930	1.0
70.06595	14.6
71.01363	2.8
71.05006	4.7
72.08173	3.2
73.02920	49.1
79.05501	2.5
80.05036	1.7
81.03429	4.3
81.07081	4.0
82.94761	1.1
83.04998	3.2
84.04478	2.0
84.08150	5.3
85.02905	86.4
85.06542	1.3
86.09716	5.1
87.04479	4.4
91.03959	3.3
93.07069	1.9
93.67085	1.0
95.04984	2.5
95.08632	4.0
96.08140	2.8
97.02894	47.3
97.06541	2.4
99.04483	3.2
100.11261	1.5
101.06078	1.6
105.07066	2.6
107.08607	1.4
108.08146	1.2
109.02893	6.8
110.07206	2.1
111.08082	24.7
115.03941	27.3
115.04701	1.8
116.07092	2.8
116.96319	1.0
119.08623	1.5
120.08151	1.9
122.09673	1.6
123.08075	6.5
125.09676	2.9
127.03916	29.0
133.04985	10.3
136.06204	3.2
138.09210	1.4
145.04955	52.2
150.07718	1.8
150.09227	1.1
152.10657	1.8
163.06015	28.9
163.07269	2.0
163.98941	1.0
169.13628	1.0
178.12329	1.6
182.11780	1.3
184.13252	2.3
185.11855	3.5
194.15485	1.1
216.12344	2.5
223.06088	2.9
237.13371	8.0
241.07166	4.3
259.08279	4.6
264.15875	2.1
280.16187	1.0
280.19153	4.8
295.10406	3.9
308.18771	1.9
308.22366	4.3
327.01819	1.1
340.21851	1.3
343.30954	1.4
354.22769	7.1
368.20605	3.7
368.24542	19.0
386.21609	17.5
386.25620	100.0
387.12213	6.9
387.16669	2.8
387.21429	1.4
387.26089	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	386.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05784	1.6
55.01876	6.2
57.03440	17.6
59.04982	2.7
61.02938	11.9
69.03430	44.0
69.75116	5.9
70.06599	2.5
72.77685	1.9
73.02921	57.7
80.05011	4.6
81.03416	5.1
84.08084	2.1
85.02911	100.0
87.04477	9.7
91.03955	4.0
95.04947	2.3
97.02898	49.9
98.22757	3.8
99.04462	4.4
109.02879	7.8
115.03941	30.0
127.03921	29.3
133.04959	39.3
145.04955	42.4
150.07587	4.3
163.06039	23.6
216.12332	4.5
216.73907	1.8
223.06024	4.1
237.13374	7.3
241.07083	4.9
259.08170	8.7
277.09003	2.3
295.10260	4.8
346.92682	1.8
368.20654	3.6
386.15503	5.9
386.21341	19.4
387.12387	4.6
387.16599	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	386.2538
Annotation	Buspirone
Peak:m/z	Relative Intensity
54.26815	0.4
55.01873	1.6
55.05506	0.8
56.05038	0.5
56.59354	0.4
57.03438	4.5
59.04983	0.5
61.02928	2.2
65.67870	0.4
67.05518	0.8
69.03433	17.3
69.03807	1.0
70.06597	5.9
71.04993	5.5
73.02921	12.9
79.05511	1.2
80.04998	0.8
81.03410	1.2
81.07058	2.1
83.05014	0.8
84.08144	1.1
85.02906	21.3
86.09712	2.1
87.04487	1.0
89.03927	1.3
91.03944	1.1
91.05512	1.2
93.07063	1.8
95.04991	0.7
95.08609	1.7
96.08108	1.1
97.02897	10.3
97.06546	0.8
99.04459	1.7
105.07046	1.2
107.08604	0.7
108.08096	0.5
109.02903	1.5
109.06531	0.5
109.10170	0.4
110.09669	1.1
111.08086	51.2
112.08435	1.7
115.03938	7.1
116.07078	0.7
117.03371	4.3
119.04939	0.8
119.08590	1.8
121.06522	1.0
122.09692	0.6
123.01038	0.5
123.08083	1.1
124.07638	0.5
124.11272	0.6
125.06041	1.3
125.09653	0.6
127.03922	5.4
133.05006	2.9
134.09677	0.5
135.08095	0.5
136.11211	1.0
137.06000	1.8
137.91121	0.4
138.09120	0.5
140.10832	0.5
145.02859	11.6
145.04958	12.9
146.03223	0.8
147.11852	0.5
148.11267	0.5
149.06035	1.4
150.07619	0.5
150.09167	1.0
151.07521	0.7
152.10690	3.0
163.06041	6.9
167.10606	0.6
168.10243	0.5
176.10847	0.6
177.05486	22.0
178.05887	1.3
178.12387	0.8
180.07359	0.6
180.13879	0.6
182.11775	0.6
184.13332	2.3
185.11835	1.1
188.14391	0.5
192.13736	0.6
194.11809	0.6
197.49065	0.5
198.15012	0.6
206.15433	1.0
207.06696	0.7
210.14928	0.7
220.13397	0.6
223.06059	0.6
225.07382	3.3
237.13358	1.5
238.14322	0.6
241.07114	1.1
242.15404	0.9
254.17821	0.6
259.08173	1.4
262.18042	0.7
266.17657	1.0
276.15848	0.9
280.15500	1.6
280.19147	4.8
284.18610	1.0
288.16071	0.5
294.20682	1.3
295.10272	0.8
308.18622	0.6
328.78534	0.4
336.21786	2.0
340.19110	0.6
350.23297	1.0
354.19049	0.8
354.22806	4.5
355.23169	0.6
368.20425	1.6
368.24365	25.6
369.24594	2.6
386.09250	1.4
386.21417	8.6
386.25488	100.0
387.08612	0.5
387.12756	1.7
387.21570	0.7
387.25879	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	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.18658	0.3
53.91077	0.3
55.01860	1.2
65.03944	1.8
66.04707	0.4
66.67973	0.3
67.05495	1.2
69.03423	0.4
69.09865	0.8
69.10272	1.6
77.03929	0.6
78.09480	0.3
79.05485	1.2
81.03410	0.8
81.07053	0.7
85.02885	1.0
91.05500	1.8
93.03403	0.4
94.04182	2.0
95.04959	1.2
102.04675	0.5
103.05470	10.8
105.03402	0.7
105.04471	0.6
105.07022	1.5
107.04971	2.3
108.02096	0.7
109.06530	0.8
110.03679	0.5
111.04439	0.6
115.05471	2.5
117.07023	2.2
118.04149	2.8
119.04947	0.9
119.08520	0.6
121.06529	0.5
122.03657	7.5
122.04505	0.4
123.04424	0.7
125.05965	0.5
129.07065	0.6
130.04105	0.4
131.03960	0.6
131.04929	10.1
132.05699	0.8
133.02847	0.9
133.06491	1.3
135.08028	1.1
136.11169	0.4
137.05978	100.0
138.03142	0.7
138.06325	3.1
138.12778	0.6
141.05478	0.9
143.04919	2.9
145.06485	3.0
146.03622	0.9
147.04411	0.7
147.08037	0.7
148.05196	6.3
149.05969	1.2
151.03912	31.0
151.05020	3.3
151.07513	0.7
152.04279	0.9
152.10719	0.5
153.05441	1.8
155.06081	1.1
161.05968	1.5
163.07553	11.5
164.07899	0.6
165.05452	0.7
167.07050	9.9
167.08475	0.5
171.04311	0.5
171.06519	0.8
173.05951	4.3
175.07567	1.3
176.04720	1.4
177.05426	0.5
179.06979	0.4
181.04958	26.1
182.05315	1.0
187.07524	0.6
189.05518	0.5
190.06284	0.4
191.07033	47.8
192.07376	2.0
193.08624	0.9
195.06540	0.4
203.06950	1.8
204.13817	0.7
205.08568	2.9
207.10141	0.5
209.08070	1.4
219.08070	0.5
219.10210	0.5
221.08067	0.5
233.08040	1.9
235.09660	2.3
237.09206	0.7
262.06116	0.3
262.17929	0.7
263.09259	1.6
265.08728	0.4
277.08707	0.4
279.02298	0.3
279.10043	0.5
293.07983	0.4
309.11194	0.4
310.00305	0.4
314.17441	0.6
325.10574	0.7
327.12112	0.4
337.10672	0.7
343.21130	0.7
351.12231	0.6
355.11542	2.0
357.13306	11.0
358.13718	0.7
369.13779	0.6
369.18817	0.6
387.14404	32.1
388.14868	2.7
388.21161	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	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02402	0.5
52.98738	0.5
54.57697	0.5
55.01868	1.2
62.16109	0.5
65.03947	2.5
67.05499	1.8
70.11042	1.2
70.11372	0.9
79.05482	2.4
81.03416	0.9
81.07042	1.3
85.02897	1.0
91.05477	2.2
94.04184	2.5
95.04961	1.9
95.08601	0.8
98.23319	0.7
102.04722	0.8
103.04850	0.9
103.05470	10.9
105.03379	0.8
105.07024	2.0
107.04947	2.3
108.02110	0.8
109.06517	1.3
109.51109	0.6
110.03667	0.8
111.04437	0.6
115.05454	3.0
117.07028	2.8
118.04158	3.6
119.04957	0.9
120.05657	0.4
122.03646	9.7
122.09702	0.5
123.04436	1.1
125.05978	0.9
129.06941	0.6
130.04138	1.0
131.04929	12.2
133.02887	1.0
133.06512	1.5
135.08061	1.2
137.05978	100.0
138.06288	2.8
143.04950	3.2
145.06490	3.4
147.08012	0.9
148.05193	8.5
151.03911	33.8
151.05014	3.4
152.04253	0.8
152.10725	1.0
153.05469	1.9
155.06065	0.7
157.06511	0.6
161.05983	1.3
163.07539	12.4
165.05467	0.6
167.07045	11.3
171.06572	1.0
173.06004	3.9
175.07574	1.6
176.04716	1.6
181.04956	26.8
182.11807	0.8
190.06107	1.3
191.07030	48.6
192.07408	2.4
193.08591	0.9
203.07085	2.1
205.06789	0.5
205.08607	2.8
207.10236	0.6
209.08142	1.4
233.08064	1.7
235.09651	2.6
245.08119	0.7
263.09256	1.7
265.08438	0.5
277.08780	1.2
290.17422	0.6
314.17615	1.2
337.10770	0.6
355.11777	2.4
357.13330	10.8
358.13770	0.9
369.13257	1.0
386.58673	0.7
387.14392	41.1
387.19662	2.9
388.14709	3.4
388.21185	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	387.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
55.05515	17.1
56.05030	4.5
57.07068	9.0
58.99596	10.0
61.01153	3.4
63.52439	2.0
67.05504	8.6
68.05010	2.9
69.07066	18.5
69.69024	4.0
69.69402	4.2
70.06573	7.5
71.08623	5.2
73.01109	2.5
74.00674	4.9
75.51336	1.9
76.02232	3.4
76.03991	3.0
79.05482	5.0
79.77916	1.9
81.03410	2.5
81.07050	15.1
82.06575	3.1
83.08623	11.7
83.49680	2.0
84.04514	8.0
84.08162	3.2
85.01132	3.7
85.10175	4.2
87.02689	14.4
88.02229	7.4
88.48082	2.2
93.07046	3.8
95.08620	10.3
97.10199	7.4
98.09704	4.4
99.02670	10.2
101.04234	6.0
107.08553	2.4
109.10169	3.6
110.11246	2.1
111.11674	3.1
112.03967	8.2
113.04259	2.7
115.45332	1.9
116.01685	19.6
116.05299	23.7
121.10122	2.5
122.09680	4.3
123.11682	2.8
126.11604	2.1
130.04985	10.4
137.05988	2.9
144.01146	2.8
152.10732	5.3
160.82997	2.0
162.02196	6.2
174.12450	2.6
226.25328	19.4
234.14635	2.5
238.25291	7.8
241.19908	3.9
244.32802	2.5
250.25284	4.0
267.21399	4.9
284.23755	16.8
284.25922	32.4
337.18112	2.4
340.67291	2.8
370.23984	21.9
387.19977	6.5
387.26752	100.0
388.21146	45.8
388.26978	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2714
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
56.35133	0.7
59.86645	0.8
60.05650	9.9
69.03443	1.0
70.06594	75.2
71.04990	6.5
71.06928	1.9
72.08155	11.0
80.05014	0.9
84.08137	4.2
85.94415	0.9
86.09700	9.8
88.07639	3.4
93.21365	0.7
95.00724	0.8
97.07648	0.8
98.06036	1.9
103.45934	0.7
112.08031	0.8
112.08727	21.1
115.08019	0.8
115.08702	4.6
120.08128	0.8
122.09675	1.2
124.11253	1.4
129.10229	1.1
132.10268	0.8
140.08186	3.9
152.10809	1.3
157.10866	4.9
159.09128	1.1
160.13818	0.9
162.12717	0.9
168.14999	1.3
169.13388	6.5
175.11905	6.2
183.14949	1.7
194.12920	1.0
196.14507	2.2
197.12875	1.3
204.13875	0.9
211.15553	15.2
211.17448	1.3
225.17082	4.2
228.18219	2.2
231.17139	1.8
239.15041	1.3
256.17673	2.4
257.16058	4.5
261.05518	1.0
262.18088	1.6
270.19183	1.3
271.17648	1.1
274.18729	8.2
288.20386	3.5
342.19077	0.8
370.24457	4.6
387.16449	3.4
387.27133	100.0
388.12103	1.7
388.21210	13.0
388.27301	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	388.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57738	0.3
52.21526	0.3
55.01865	0.6
67.05493	0.5
69.03432	2.5
69.07082	0.3
69.51733	0.3
69.52057	1.2
71.04984	0.4
79.05486	0.7
80.05020	1.1
81.07063	3.3
82.04185	0.7
84.08144	0.6
89.06013	1.1
91.05482	0.7
93.07045	0.7
94.06567	0.3
95.04961	0.6
95.08595	0.8
96.05750	0.8
97.02898	1.0
98.23445	0.5
99.04457	0.4
102.31120	0.3
105.07039	1.0
107.08606	1.2
109.06544	1.7
111.08089	2.9
119.08573	1.0
120.08076	0.3
121.10116	0.3
122.09669	14.8
123.08093	1.6
123.10019	0.5
124.08862	3.8
125.05994	0.5
131.08524	0.3
133.08630	0.5
133.10152	0.5
134.09651	1.2
135.08057	0.5
135.10458	0.3
136.11157	0.3
137.05975	8.8
138.06216	0.4
138.12798	0.4
145.10072	0.3
146.09615	0.5
147.11670	0.4
148.11151	0.4
150.09154	1.0
160.11243	0.8
162.09099	0.4
162.12830	1.0
163.13466	0.3
164.14328	0.4
168.10280	0.5
169.56667	0.3
171.33485	0.3
172.68590	0.3
174.12820	0.7
175.11264	0.5
175.14832	0.8
182.11737	3.0
191.14386	1.2
192.13918	0.5
203.10759	0.6
204.13837	1.3
208.13446	0.4
219.10179	0.4
221.11765	2.8
221.13853	0.6
232.13348	0.3
234.14885	6.4
247.15469	0.4
262.18015	9.9
263.18420	0.5
276.15881	0.5
290.17432	2.9
345.05795	0.3
360.21899	0.4
371.22623	0.4
388.21188	100.0
389.21515	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49268	0.1
55.01878	0.7
55.05510	0.3
59.28860	0.1
67.05514	0.5
67.20279	0.1
69.03059	0.2
69.03429	2.7
70.80051	0.2
71.04997	0.6
75.40760	0.1
79.05479	0.5
80.05020	0.7
81.07059	3.0
82.04187	0.4
83.04973	0.3
83.58069	0.1
84.08164	0.4
91.05477	0.4
93.07046	0.3
94.06580	0.7
95.04968	0.8
95.08615	0.8
96.05752	0.7
96.08083	0.1
98.61195	0.1
99.04461	0.4
105.07036	0.7
107.08569	0.7
108.08108	0.2
108.08853	0.1
109.06516	1.9
109.10170	0.2
110.09626	0.1
111.04450	0.1
111.08088	3.2
117.07007	0.1
119.08582	0.4
120.08113	0.3
121.06486	0.1
122.09669	14.0
123.08080	1.5
123.09978	0.5
124.08860	4.0
125.05982	0.5
125.09677	0.2
131.08569	0.3
132.08046	0.2
133.06448	0.1
133.08865	0.2
133.10136	0.4
134.09651	0.8
135.08043	0.6
135.10449	0.3
136.11230	0.3
137.05983	8.5
138.06302	0.3
142.07779	0.2
145.10068	0.1
146.09662	0.4
147.08076	0.1
147.10454	0.2
147.11678	0.2
148.07541	0.1
148.11243	0.6
149.09596	0.1
150.09135	1.1
150.12778	0.1
151.07504	0.1
152.10709	0.3
154.12306	0.1
157.10139	0.3
160.11217	0.6
161.09627	0.1
162.09149	0.1
162.12805	0.8
163.13579	0.3
164.14354	0.2
165.09119	0.2
168.10167	0.6
174.12782	0.6
175.11201	0.6
180.10289	0.1
182.11777	2.3
184.11237	0.1
185.09595	0.3
188.14354	0.4
190.12257	0.2
192.13808	0.5
194.11766	0.2
202.12283	0.3
203.10779	0.5
203.12381	0.1
208.13348	0.3
216.13800	0.1
218.11708	0.1
219.10164	0.4
220.13396	0.3
221.11742	2.3
221.14056	0.8
222.12111	0.2
230.11836	0.1
232.13339	0.4
233.14059	0.2
234.14890	5.9
235.15263	0.4
244.17076	0.2
262.18027	9.6
262.45642	0.1
263.18399	0.7
264.16025	0.2
272.16525	0.2
276.15942	0.4
282.95273	0.1
290.17535	1.0
299.71799	0.1
314.17590	0.3
348.26685	0.1
360.21762	0.3
388.21176	100.0
389.21518	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2121
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
55.01869	1.3
62.89297	0.3
65.03915	0.4
67.05496	1.4
68.05031	0.6
69.03432	3.2
69.72506	1.1
70.06612	0.7
71.04998	0.6
74.27927	0.3
79.05491	2.4
80.05028	2.7
81.07058	7.4
82.06588	1.2
83.07382	0.6
84.08139	2.6
91.05508	1.7
93.07052	1.5
94.06557	1.5
95.04950	0.9
95.08614	1.1
96.08121	1.6
97.02904	1.3
99.04464	0.9
103.05480	0.4
105.03383	0.4
105.07034	1.7
106.06556	1.2
107.04972	0.7
107.08598	1.3
108.08124	1.6
109.06546	2.2
109.08926	0.4
110.09687	0.6
111.04429	0.4
111.08084	0.8
112.07681	0.4
117.07040	0.8
119.08593	1.1
120.08121	1.4
121.06496	0.5
122.09679	4.5
122.10532	0.4
123.04432	1.1
123.08083	0.9
124.07608	1.0
124.08793	0.4
124.11244	1.0
125.05984	0.8
125.09647	0.6
126.09138	2.7
129.06995	0.7
130.06586	0.6
131.08563	1.2
132.08099	0.9
133.06349	0.4
133.10225	0.5
134.09654	2.6
135.04453	0.4
135.08075	0.9
136.11223	2.3
137.05981	5.8
138.09111	0.5
138.12787	0.9
141.07080	0.3
142.07747	0.7
143.08566	0.4
144.08046	0.5
145.10103	0.8
146.09642	0.7
147.08054	0.9
147.11571	0.3
148.07571	0.9
148.11208	0.7
150.09143	4.3
150.12814	0.5
151.07469	0.4
152.10704	14.1
153.11183	0.5
154.12294	1.0
155.03447	0.4
157.10152	0.9
158.09633	0.8
159.08063	0.9
160.11249	0.6
162.09187	0.6
162.12782	2.1
163.11014	0.4
164.10686	0.6
164.14342	0.5
166.08693	0.3
168.10178	2.6
170.09723	0.3
173.09695	0.9
174.12779	1.7
175.07619	0.5
175.11188	0.8
176.10756	0.7
176.14360	0.5
180.10187	0.9
182.11769	13.5
183.12070	0.4
185.09711	0.3
186.12778	1.0
188.10748	0.3
190.12282	0.7
191.07022	0.3
191.10728	0.4
192.13806	1.5
194.11728	0.4
198.11215	0.6
203.10753	0.4
204.13838	6.9
205.14296	0.5
218.11781	1.0
220.13362	1.1
221.11813	0.4
222.14931	1.2
224.12968	0.3
231.10313	0.4
232.13383	1.5
234.14909	1.6
248.12807	0.6
248.16591	0.3
250.14433	0.6
251.15268	1.4
252.15703	0.5
258.14963	0.6
260.16498	1.6
262.18024	1.1
274.14551	0.3
275.12579	0.5
276.15863	0.5
286.23206	0.3
290.17654	1.7
314.17578	2.1
342.20496	0.5
352.19202	0.6
360.18036	0.8
360.22028	0.4
370.20291	2.7
388.21191	100.0
389.14038	0.7
389.21536	9.9
398.38522	0.3
400.19452	0.3
405.21051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.212
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
55.01868	1.8
55.05503	0.8
67.05500	1.2
67.61480	0.6
69.03424	3.9
70.06590	1.4
70.94870	0.5
79.05487	2.4
80.05000	3.1
81.03429	0.7
81.07057	14.0
82.06568	2.0
83.07328	0.7
84.08150	5.7
86.06079	0.7
86.96945	0.5
91.05484	1.9
93.07059	1.6
94.06584	2.2
95.04962	1.2
95.08596	1.0
96.08141	1.2
97.02917	1.0
99.04466	1.2
105.07039	1.7
106.06554	1.5
108.08107	2.5
109.06506	3.9
110.09682	0.7
111.08069	1.2
112.07613	1.1
113.02397	0.7
117.06996	1.0
119.08572	1.6
120.08137	0.6
121.06373	0.7
122.09701	4.8
123.04424	2.4
124.07607	2.8
124.11236	2.2
125.05978	1.6
125.09599	1.0
126.09148	3.6
132.08122	0.9
134.09657	6.3
136.11270	1.3
137.05978	11.1
138.09166	0.7
142.07788	0.9
145.10135	0.8
146.09622	0.7
148.11234	1.6
150.09157	5.5
150.12799	0.9
152.10704	22.0
153.11058	1.0
154.12206	1.0
158.09619	0.9
164.10736	1.3
168.10231	2.6
173.09647	0.9
174.12813	2.3
175.11130	0.8
176.10698	0.6
180.10204	2.1
182.11772	37.8
183.12096	1.7
186.12769	0.7
192.13808	1.3
194.11821	0.8
198.11310	2.2
203.30005	0.7
218.11905	1.0
220.13344	1.5
222.14862	3.9
232.13295	1.9
234.14899	1.6
250.14426	0.7
251.14970	1.0
258.14926	0.7
314.17429	3.5
360.22049	0.8
370.20145	2.1
388.21182	100.0
389.21527	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	388.2117
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
50.50735	0.3
55.01865	1.2
55.24226	0.3
56.05037	0.6
57.03445	0.5
58.91580	0.3
61.02926	0.4
67.05502	1.3
68.05061	0.4
69.03428	2.4
69.46294	1.3
70.06601	1.9
71.04996	0.4
73.02921	0.4
79.05490	1.2
80.05020	1.4
81.03448	0.8
81.07047	1.4
82.06572	0.5
83.46500	0.4
84.08143	1.0
85.02901	4.2
87.00832	1.2
91.05476	0.8
93.07040	1.1
94.06576	1.3
95.05000	0.5
95.07352	0.6
95.08617	1.5
96.08124	1.1
97.02887	1.4
97.08936	0.3
99.04466	0.5
104.97320	0.4
105.01875	2.5
105.07034	2.3
107.08618	0.7
108.08130	1.2
109.02883	1.2
109.06494	0.5
110.09689	2.5
111.08100	0.3
119.08580	1.2
120.08118	0.9
121.06501	0.6
122.09661	2.8
123.04439	0.7
125.06004	0.7
127.03924	2.8
131.08578	0.5
132.08154	0.6
134.09677	1.6
135.08083	0.8
136.11230	1.4
137.05965	0.8
145.04953	1.2
145.10167	0.7
147.08069	0.8
148.11203	0.4
149.09662	0.4
150.09119	1.8
152.10704	1.0
153.05428	0.4
157.10094	0.5
159.02916	0.4
160.11252	0.5
161.05946	0.6
162.09099	0.4
162.12781	1.0
164.10782	0.6
168.10199	1.1
173.09604	0.7
174.12910	0.3
175.07506	0.4
175.11177	0.5
176.14494	0.3
182.11752	4.2
184.13367	1.7
185.09570	0.4
185.68172	0.3
191.10678	0.7
201.09116	0.4
203.10677	0.9
217.08633	3.3
219.10173	1.0
222.15166	0.5
231.05113	0.9
232.13501	0.4
236.16490	1.3
249.05942	0.5
270.18628	0.5
286.17993	0.9
288.15964	1.5
314.17490	20.0
315.17868	2.0
330.16946	0.4
342.20737	0.6
344.22290	0.5
360.21826	1.1
370.20313	0.7
388.21167	100.0
389.21527	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2119
Annotation	Stemofoline
Peak:m/z	Relative Intensity
53.03927	0.3
53.28801	0.3
53.63927	0.3
55.01871	1.0
55.05507	0.3
56.05030	0.4
59.60575	0.2
61.80261	0.2
61.97578	0.3
62.59638	0.3
67.05495	0.8
68.05032	0.4
69.03440	1.8
69.44073	0.6
69.44466	0.5
70.06598	1.4
70.23724	0.3
71.04996	0.6
79.05489	1.3
79.62657	0.2
80.05014	2.1
81.07045	3.6
82.06574	0.9
83.07363	0.4
84.08133	1.8
85.02905	1.3
86.54801	0.3
91.05488	1.1
93.07042	1.0
93.96995	0.3
94.06570	1.5
95.04975	0.6
95.07373	0.3
95.08610	1.0
96.08138	1.3
97.02890	0.7
102.28581	0.3
105.07029	9.4
106.06544	0.6
107.08637	0.6
108.08122	1.1
109.06516	1.1
110.09679	1.9
111.08131	0.6
112.07605	0.3
117.07013	0.7
119.08575	1.0
120.08105	1.0
121.06511	0.5
122.09665	3.5
123.04446	0.8
123.08048	0.5
124.11223	0.6
125.06010	0.8
125.09657	0.5
126.09177	0.5
127.03925	0.9
129.07018	0.4
129.41992	0.3
131.08568	1.0
133.06451	0.3
134.09653	2.7
135.08066	0.4
136.07500	0.3
136.11205	1.4
137.05971	2.3
138.09146	0.3
142.07724	0.5
143.03375	0.3
143.08543	0.3
145.04781	0.3
145.10109	0.6
147.08028	0.8
147.11703	0.4
148.07620	0.3
148.11201	0.8
149.05969	0.4
150.09129	3.3
150.12752	0.4
151.07573	0.4
152.10698	4.7
154.12334	0.4
157.10196	0.9
159.08122	0.4
162.09087	0.5
162.12814	0.9
163.11246	0.3
164.10689	0.4
164.14355	0.3
167.06940	0.3
168.10210	0.9
171.07968	0.3
173.09604	0.5
174.12814	0.7
175.07472	0.3
175.11212	0.6
180.10277	0.4
182.11781	7.1
182.67900	0.3
183.12132	0.3
184.13344	1.2
185.09662	0.3
189.09174	0.4
190.12358	0.3
191.10686	0.5
192.13919	0.3
195.07985	0.4
201.09120	0.4
202.12381	0.3
203.10706	0.6
204.13835	0.5
208.13295	0.5
217.08585	1.9
218.11774	0.4
219.10167	0.7
220.13290	0.3
222.15015	0.5
232.13336	0.5
234.14941	0.6
236.16458	1.1
241.12291	0.4
258.14929	0.3
262.18079	0.9
270.18454	0.4
286.18005	0.7
288.15961	1.2
290.17551	0.8
314.13852	0.6
314.17508	12.0
315.17889	1.3
342.20667	0.4
344.22314	0.5
370.20090	0.9
388.21167	100.0
389.21469	10.8
412.28909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2122
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
55.01868	0.7
55.05510	0.5
55.26239	0.3
56.05030	0.4
58.06588	0.3
67.05502	1.0
69.03427	1.1
70.06602	1.4
70.95638	0.3
79.05489	1.2
80.05025	1.4
81.07049	1.4
82.06606	0.6
84.08147	1.3
90.37276	0.3
91.05486	0.7
93.05778	0.3
93.07046	0.9
94.06572	1.2
95.04972	0.5
95.08624	1.4
96.08136	1.5
97.08961	0.2
103.05466	1.1
105.07047	0.9
106.06577	0.4
107.08613	0.6
108.08120	0.9
109.06496	0.5
109.08934	0.4
110.09691	2.2
111.12981	0.3
117.07009	0.4
119.08573	0.8
119.80885	0.3
120.08100	0.8
121.06504	0.7
122.05983	0.3
122.09683	2.3
123.04456	1.0
123.08097	0.5
125.06006	1.1
129.06973	0.3
131.04926	3.8
132.05357	0.3
134.09668	0.9
134.79846	0.3
135.08043	0.9
136.11234	1.4
137.05983	1.1
137.11778	0.3
142.07813	0.4
145.10114	0.7
147.08031	0.6
147.11690	0.4
149.09624	0.4
150.09131	1.7
150.12715	0.4
151.07567	0.3
152.10703	1.4
157.10152	0.5
159.08055	0.3
159.11694	0.4
160.11183	0.4
161.09599	0.3
162.12798	1.1
163.07521	1.7
164.14323	0.7
168.10226	0.9
169.10260	0.3
173.09683	0.7
174.12920	0.4
175.11162	0.7
177.12823	0.4
182.11772	4.2
184.13322	1.5
191.10620	0.5
201.09076	0.5
203.10715	0.6
208.13252	0.4
216.17334	0.3
217.08575	3.0
219.10179	0.5
220.13293	0.5
234.14859	0.5
236.16446	1.4
244.13348	0.3
262.18005	0.8
270.18552	0.6
286.18158	0.7
288.15930	1.4
290.17575	0.5
314.17511	17.0
315.17868	1.3
342.20667	0.5
360.21741	0.9
370.20087	0.8
388.21173	100.0
389.21530	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	388.2119
Annotation	Stemofoline
Peak:m/z	Relative Intensity
53.03937	0.4
55.01870	0.6
55.05506	0.3
55.92970	0.2
57.07081	0.3
57.40485	0.3
59.46589	0.3
67.05499	1.0
67.80062	0.2
68.05025	0.5
68.09227	0.2
69.03428	3.1
69.07067	0.3
69.12096	0.6
69.12495	1.2
70.06598	0.6
71.04996	0.4
79.05094	0.3
79.05476	1.3
80.05014	0.7
81.07057	1.3
82.06572	0.8
83.01347	0.6
83.07352	0.6
84.08155	0.8
87.02814	0.3
87.25328	0.2
88.40770	0.3
91.05462	1.5
93.07024	1.4
94.06579	1.2
95.04977	0.7
95.08618	0.8
96.08127	3.6
97.02921	0.3
99.04464	0.5
105.07051	0.9
106.06560	0.8
107.08614	0.8
108.08146	0.6
109.06519	0.8
110.09683	1.4
111.08149	0.5
115.05445	0.3
118.06557	0.6
119.07346	0.3
119.08591	1.0
120.08103	2.1
121.06530	0.5
122.09682	1.7
123.04455	0.6
123.08060	0.5
124.11243	0.6
125.05982	0.5
127.03924	0.6
128.10779	0.3
131.04956	0.3
131.08543	0.5
132.08113	0.5
133.05229	0.4
133.06544	0.3
133.10121	0.5
134.06023	0.3
134.09637	1.4
135.08075	0.7
136.11244	2.0
137.05960	1.1
138.12767	6.0
143.08571	0.4
144.08119	0.5
145.06508	0.4
145.10153	0.6
146.09605	0.6
147.06827	0.7
147.08008	0.6
147.11674	0.3
148.07556	2.0
148.11244	0.6
150.09117	0.7
151.07576	0.4
152.10675	1.4
154.12329	0.6
155.03394	2.3
155.07100	0.3
159.08025	0.4
159.11653	0.6
160.11244	0.4
161.08400	0.6
161.09641	0.5
162.06793	0.4
162.09148	1.1
162.12793	3.7
164.10706	0.4
164.14371	0.7
165.05489	0.7
165.09155	0.4
167.07039	0.3
168.10324	0.4
171.08163	0.4
173.06006	0.4
174.12790	0.9
175.07533	0.4
175.11201	0.4
176.14362	1.6
182.11748	1.7
183.06551	1.0
184.13448	0.3
186.12794	0.7
188.10680	0.3
188.14365	0.6
189.09181	0.3
190.12239	0.9
195.06625	0.3
197.09586	0.3
201.09203	0.3
202.12303	0.4
204.13838	21.5
205.14255	1.7
206.15453	0.8
217.08640	1.3
218.11797	0.4
218.15327	0.4
219.10196	0.7
232.16902	0.7
233.08047	0.5
234.14914	0.5
234.18588	0.4
236.16452	0.3
247.09856	0.3
260.16449	4.2
262.18015	0.8
273.11246	0.8
275.12793	3.5
288.16022	0.3
314.17514	6.2
315.17764	0.4
360.21875	0.5
370.20135	1.2
388.21176	100.0
389.21518	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	388.2119
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
53.03950	0.2
55.01876	0.5
55.05496	0.5
56.05023	0.3
64.16336	0.2
65.03947	0.3
66.31818	0.2
67.05506	0.9
68.05032	0.4
68.68259	0.2
69.03432	4.2
69.07082	0.3
69.30873	0.5
69.31284	0.7
70.48003	0.2
71.04989	0.7
75.26669	0.2
77.03931	0.4
79.05496	2.0
80.05024	0.5
81.03421	0.4
81.07052	1.4
82.06579	0.7
83.01351	1.0
83.07363	1.0
84.08122	0.3
86.61395	0.3
91.05487	2.1
93.07058	1.6
94.06591	0.3
95.04977	0.8
95.08635	0.4
96.08138	4.5
98.09715	0.3
99.04457	0.9
100.11230	0.3
105.04507	0.3
105.07031	1.3
106.06572	0.5
107.05015	0.5
107.08608	0.8
108.08091	0.3
109.06528	0.6
109.10180	0.2
111.08053	0.2
115.05524	0.3
117.07020	0.8
118.06623	0.4
119.04968	0.3
119.08588	0.8
120.08118	1.9
121.06532	1.0
122.09701	0.3
123.08022	0.3
124.11237	0.6
127.03915	1.2
128.06238	0.3
128.10732	0.7
129.07008	0.7
130.06551	0.4
131.07478	0.2
131.08572	0.8
132.08070	0.3
133.06491	0.4
133.10117	0.3
134.09657	0.6
135.08072	0.3
136.11243	2.0
137.05943	0.2
137.09610	0.3
138.09158	0.3
138.12784	8.7
139.13139	0.4
141.05534	0.5
142.07832	0.3
143.08549	0.5
145.06499	0.6
145.10159	0.4
146.09608	0.4
147.06892	0.3
147.08060	0.7
148.07620	1.4
148.11276	0.3
150.54906	0.2
151.03918	0.3
151.07671	0.3
152.10735	0.3
153.05507	0.4
154.07895	0.3
154.12328	0.2
155.03442	1.4
155.07065	0.7
157.10136	0.3
158.30496	0.2
159.08116	0.7
161.06041	0.3
161.08321	0.2
161.09569	0.5
162.09138	0.9
162.12782	2.3
164.10728	0.7
164.14331	0.4
165.05394	1.5
165.09187	0.3
167.07083	0.7
169.06471	0.2
169.10118	0.4
170.07256	0.3
172.08842	0.5
172.11211	0.3
173.06036	0.3
173.09669	0.3
174.12804	0.6
175.07584	0.8
176.14349	2.2
177.09187	0.4
178.15945	0.4
179.07054	0.5
183.06589	1.3
183.08057	0.4
186.10394	0.3
187.07564	0.6
187.11243	0.4
188.14355	0.4
190.12299	0.6
191.07094	0.5
195.06519	0.5
197.09715	0.3
197.13321	0.2
199.07523	0.3
200.08527	0.3
201.09062	0.5
204.13841	13.7
205.06885	0.3
205.08650	0.6
205.14510	1.3
206.15422	0.9
207.06551	0.4
207.10204	0.4
213.09204	0.3
215.10687	0.6
218.15369	0.4
219.10088	0.3
221.08107	0.6
225.09207	0.4
229.12227	0.3
231.10361	0.3
232.16991	0.6
233.08165	0.6
234.18538	0.8
247.09732	0.6
253.08533	0.3
260.16525	3.0
261.11221	0.5
261.16888	0.3
262.17999	0.4
263.09134	0.8
273.11227	3.0
275.12781	6.2
276.13187	0.3
283.13364	0.3
285.11301	0.6
341.17535	0.5
349.08627	0.2
358.20322	0.3
360.21716	0.9
370.20172	0.5
388.21191	100.0
388.71307	2.4
389.16452	0.3
389.21530	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	388.2118
Annotation	Stemofoline
Peak:m/z	Relative Intensity
55.05511	8.0
59.04994	1.7
67.05491	1.0
68.22865	0.5
69.03426	2.1
69.34929	1.6
71.04989	1.5
79.05479	0.6
80.05003	0.6
81.07065	0.6
83.04981	4.7
87.69073	0.4
89.54030	0.5
95.08582	3.0
95.61046	0.4
99.04468	4.2
101.06011	8.3
106.06575	0.9
108.08092	0.9
111.04489	0.7
111.08072	1.1
118.06530	0.6
119.07285	0.6
120.08077	1.5
122.09684	1.4
123.08073	1.1
130.06526	0.6
131.07321	0.6
132.08092	3.7
133.08873	1.1
134.09647	1.3
136.11182	0.8
137.05981	0.5
138.12793	0.7
139.07510	0.9
144.08072	1.6
145.08894	0.9
146.09633	3.1
147.06622	0.5
147.10445	2.4
148.07556	1.0
148.11172	0.6
155.07256	0.6
157.08893	0.8
158.09674	1.4
159.10452	1.1
160.07555	4.2
160.11252	1.5
162.09160	1.2
162.12753	3.5
170.09561	0.5
172.11215	6.0
173.11887	0.8
174.09160	2.9
174.12755	2.6
175.09985	2.5
182.11807	0.7
184.11180	2.6
185.10510	0.4
185.11949	2.8
186.12801	3.2
188.14346	1.8
190.12263	2.5
195.13817	0.5
198.12810	1.5
200.10663	4.3
202.12233	2.3
204.13823	9.3
205.14308	0.8
212.14346	2.0
213.11493	0.7
213.15021	1.2
214.12248	0.7
214.15900	3.8
215.16409	0.6
216.13872	0.8
218.11752	8.7
225.00682	0.6
230.11813	0.9
234.14882	0.9
240.13837	0.9
242.15385	3.3
258.14877	2.0
260.16391	4.5
262.18146	1.6
272.16556	0.9
289.16782	2.7
290.17474	2.1
314.17526	0.7
315.18213	1.4
342.20621	22.2
343.20914	2.6
370.20132	12.5
371.20715	1.2
388.21158	100.0
389.21512	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	388.2119
Annotation	13-O-Acetylvakhmatine
Peak:m/z	Relative Intensity
69.03426	1.5
69.47155	3.3
79.05508	0.9
80.05014	1.1
81.07023	0.9
82.78873	0.7
82.91543	0.8
91.05466	0.9
94.06602	0.8
96.08113	1.4
99.04501	0.9
106.06536	1.3
117.07029	1.4
118.06544	2.1
119.07304	1.2
120.08110	6.3
127.84701	0.7
129.05450	0.9
129.07022	0.7
132.08118	2.0
133.08859	3.1
134.09691	3.8
136.11189	1.4
138.12782	2.5
144.08060	1.7
145.08878	5.5
146.09648	3.4
160.11183	0.9
162.09125	7.4
162.12793	3.9
163.09781	0.8
164.14342	0.9
170.09720	1.3
172.11197	1.1
173.12013	0.9
174.12817	1.7
176.14345	20.8
182.09732	1.3
183.06512	1.0
183.10484	1.2
184.11243	2.6
185.11897	0.8
186.12798	1.0
188.14317	10.6
194.09653	1.6
195.10298	0.9
196.11218	2.0
197.11974	1.2
198.12817	1.6
202.15892	0.9
203.80969	0.8
204.13840	64.5
205.14554	10.3
206.15410	7.1
208.11212	2.7
209.11894	1.0
210.12770	1.8
212.10760	1.2
212.14375	0.8
216.13852	4.2
216.17482	4.2
222.09210	1.2
222.12753	2.9
223.13501	0.9
224.10623	2.8
224.14265	1.5
225.11256	1.0
226.12245	2.1
226.15919	5.0
227.16577	1.3
228.10225	3.4
228.17607	1.2
232.16939	6.7
236.10736	2.8
237.11478	3.1
238.12225	2.6
240.10159	1.7
240.13977	1.9
240.17419	5.5
241.11005	0.9
244.17050	1.1
250.12254	2.5
251.12976	1.4
252.10167	3.0
252.13933	1.5
253.10931	1.7
254.11749	5.4
254.15369	1.3
256.17014	3.8
258.11383	1.7
260.16385	8.5
261.16953	1.2
264.17493	3.8
266.11798	3.0
266.15509	1.1
266.19162	2.7
267.12460	1.8
268.13321	5.9
268.16934	3.2
269.14136	2.8
272.16464	1.7
275.12759	2.4
278.15350	1.3
280.10013	1.0
282.12201	1.0
282.14896	5.2
282.18509	3.2
284.16458	1.6
292.17017	1.9
294.11273	6.9
294.18561	7.4
295.12015	3.5
295.15604	0.7
295.19006	1.0
296.13159	0.8
296.16431	14.2
297.16733	1.6
309.17206	1.8
310.18015	12.7
311.18729	7.7
314.17526	16.5
315.17871	1.0
320.16327	1.5
324.19492	4.9
325.20258	3.1
326.21136	4.7
337.16727	3.5
338.17349	1.9
342.20685	5.2
352.19135	5.3
370.20132	100.0
371.20535	10.6
388.21176	97.2
388.71304	4.1
389.21515	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	388.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70388	0.3
64.92019	0.3
66.69130	0.4
67.05513	0.4
68.05013	0.7
69.03442	3.3
69.25272	0.7
69.25661	0.9
71.04986	0.5
71.19527	0.4
75.53683	0.4
79.05498	1.1
80.05009	0.8
81.03414	0.5
81.07040	0.9
82.06573	0.8
83.01345	0.6
83.07392	0.3
86.06013	0.4
87.07570	0.3
91.05506	1.4
93.07052	1.2
94.06549	0.5
95.04984	1.0
96.08144	4.2
98.37857	0.4
99.04454	1.1
105.07048	1.0
106.06565	1.2
107.08575	0.5
109.06506	0.5
110.12513	0.5
114.81091	0.4
118.06516	0.5
119.08567	0.6
120.08109	1.7
121.06499	0.8
122.09724	0.5
124.11236	0.6
127.03928	1.0
131.08525	0.7
132.08177	0.5
134.09616	0.5
136.11221	2.0
137.06012	0.6
138.12798	8.0
143.08568	0.4
145.06502	0.9
145.10107	0.4
147.06787	0.6
147.07956	0.6
148.07588	1.5
148.08815	0.5
149.09647	0.4
151.03835	0.4
153.05469	0.4
155.03439	1.8
155.07068	0.5
159.08102	0.5
160.11252	0.6
162.09117	1.1
162.12785	2.9
164.10751	0.7
165.05493	0.9
167.07054	0.7
173.06029	0.7
174.12827	0.5
175.07605	0.6
176.14331	1.9
183.06525	1.2
186.12801	0.7
190.12325	0.8
195.06557	0.4
201.09180	0.4
203.16856	0.4
204.13844	22.2
205.08672	0.6
205.14340	1.6
206.15335	1.0
207.06525	0.6
209.83678	0.4
218.15413	0.4
220.26648	0.4
221.08119	0.5
232.17010	1.1
247.09673	0.6
260.16486	4.0
263.09116	0.4
273.11334	1.7
275.12793	5.1
285.11435	0.4
286.53131	0.5
341.17587	0.5
345.19037	0.5
360.21979	0.5
370.20129	0.9
388.21198	100.0
389.21564	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	388.2117
Annotation	Stemofoline
Peak:m/z	Relative Intensity
52.89697	0.4
53.66105	0.5
53.81650	0.5
55.05509	8.7
56.20405	0.5
56.96571	3.2
59.04999	1.8
63.83416	0.5
63.94224	0.5
67.05491	1.5
69.03424	1.8
71.04995	3.1
76.01886	0.6
81.07043	0.7
83.04988	4.6
85.06561	0.5
91.05518	0.8
93.07045	1.1
95.05009	1.0
95.08609	4.3
96.08146	0.5
98.97523	0.5
99.04459	4.6
101.06018	8.9
106.06551	1.1
109.06498	0.6
111.08060	1.0
118.06574	0.7
119.07291	0.6
120.08109	2.3
121.06476	0.6
122.09682	1.0
123.08070	1.3
130.01738	0.7
131.07329	0.8
131.08620	0.5
132.08084	5.4
134.09642	1.3
138.12738	1.3
139.07494	0.9
144.08044	1.0
146.09669	3.9
147.06807	0.6
147.10425	2.1
148.07603	0.5
156.08073	0.6
157.08858	0.9
158.09648	1.8
159.10443	1.8
160.02765	0.6
160.07542	4.6
160.11208	1.6
162.12759	2.4
163.27129	0.5
166.91359	0.6
170.09628	1.0
171.10352	0.7
172.11221	6.8
173.11893	1.5
174.09119	3.8
174.12724	2.9
175.09930	3.9
184.11226	2.2
185.11972	3.6
186.12761	3.6
187.13525	1.1
188.14349	1.0
190.12215	0.6
198.12759	2.0
200.10689	5.0
202.12196	3.5
204.13837	8.0
212.10745	0.7
212.14412	1.7
213.11432	1.0
213.15103	1.1
214.12332	0.8
214.15894	4.8
215.16304	0.8
218.11743	10.0
220.05045	0.9
223.13312	0.8
230.11928	0.6
232.13219	0.9
240.13834	1.1
242.15381	3.1
254.15402	0.7
258.14987	2.2
260.16437	5.1
262.17999	0.7
265.65802	0.5
266.38055	0.5
272.16467	0.7
277.82803	0.5
290.17474	1.5
302.17682	0.6
314.17361	0.7
315.18167	1.4
324.19669	1.4
328.21698	0.9
342.20615	27.0
343.20963	2.9
352.19208	0.9
370.20111	13.8
371.20370	1.4
388.21146	100.0
389.21475	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	388.2118
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
55.01871	0.7
55.05498	0.5
67.05505	0.4
69.03425	3.0
69.22126	0.2
69.83533	0.2
69.83871	0.6
70.06586	0.5
71.04989	0.5
72.31117	0.2
79.05493	0.6
80.04998	0.5
81.03374	0.2
81.07063	4.2
81.85965	0.2
82.04203	0.5
84.08141	0.7
91.05474	0.3
93.07051	0.3
94.06542	0.6
95.04950	0.8
95.08588	1.0
96.05733	1.0
97.02889	0.9
98.23435	0.3
99.04452	0.6
105.07042	0.6
107.08585	1.1
108.08184	0.3
109.06505	2.1
111.08085	3.9
119.08596	0.4
120.08090	0.6
121.06556	0.2
122.09666	17.2
123.08078	2.1
123.09999	0.3
124.08855	4.6
124.11207	0.3
125.05980	0.6
129.06998	0.2
133.08917	0.3
133.10112	0.3
134.09654	1.3
135.08037	0.7
135.10489	0.5
136.11287	0.3
137.05980	10.2
138.06293	0.3
146.09676	0.4
147.08008	0.3
147.11678	0.4
148.11246	0.5
150.09158	1.4
150.12862	0.2
152.10768	0.3
157.10178	0.2
160.11243	0.9
162.12782	0.7
163.26717	0.2
165.09103	0.6
168.10193	0.5
174.12796	0.6
175.11198	0.9
182.11758	3.6
185.09673	0.3
188.14401	0.6
190.12227	0.2
192.13840	0.8
194.11812	0.3
197.86774	0.2
203.10648	0.5
208.13390	0.4
216.13837	0.3
219.10225	0.3
220.13454	0.3
221.11743	2.6
221.14079	0.9
222.12079	0.3
232.13399	0.4
234.14879	6.8
235.15199	0.4
244.13332	0.2
244.16953	0.3
254.72426	0.2
262.18030	11.6
263.18423	0.5
272.16705	0.2
276.15985	0.9
290.17499	1.7
314.17477	0.2
318.16800	0.3
354.78967	0.2
360.21820	0.3
370.20096	0.3
371.05161	0.2
372.73727	0.2
388.21173	100.0
389.21506	14.2
402.76392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.212
Annotation	Stemofoline
Peak:m/z	Relative Intensity
53.03954	0.3
55.01873	1.7
55.05490	0.4
56.05020	0.6
58.06588	0.3
67.05505	1.6
68.05007	0.6
69.03424	2.7
69.81351	0.7
69.81677	0.6
70.06590	3.6
79.05489	1.6
80.05031	2.5
81.05776	0.3
81.07050	2.4
82.06567	1.2
84.08151	2.5
91.05455	1.6
93.07042	1.4
94.06567	2.2
95.04967	0.5
95.07349	0.7
95.08592	1.5
96.08128	2.8
97.08911	0.5
105.07023	1.7
106.06499	0.4
107.07394	0.4
107.08579	1.2
108.08115	1.2
109.06501	0.8
109.08881	0.5
110.09676	3.4
111.08092	0.3
119.08578	1.3
120.08129	1.0
121.06515	1.1
121.08918	0.4
121.10121	0.4
122.09673	4.4
123.04409	0.5
123.08067	0.6
124.11176	0.5
125.02330	0.9
125.05983	1.1
131.08537	0.7
132.08072	0.4
133.06497	0.5
133.10048	0.4
134.09637	2.5
135.08055	0.9
135.10381	0.4
136.11195	2.4
137.05963	1.1
138.09100	0.3
142.07703	0.4
143.08539	0.3
145.06480	0.3
145.10135	1.0
146.09633	0.6
147.08058	0.7
147.11711	0.5
148.11241	0.8
149.06024	0.8
149.09599	0.4
150.09126	2.9
151.07587	0.7
152.10686	2.1
154.12270	0.5
157.10178	0.5
160.11203	0.5
161.09604	0.6
162.12740	1.6
163.07497	0.5
163.11208	0.6
164.10757	0.4
164.14383	1.1
168.10202	1.6
173.09671	0.6
175.11169	0.5
182.11781	4.5
184.13318	2.6
185.09592	0.3
187.07487	0.4
187.11232	0.3
189.09146	0.4
190.12338	0.3
190.15871	0.5
191.10561	0.5
196.13358	0.4
203.10516	0.3
217.08604	3.1
219.10188	1.6
220.13333	0.4
222.15013	0.5
234.14957	0.7
236.16443	1.6
248.12921	0.4
258.14993	0.4
262.18066	1.0
264.19501	0.3
286.18008	1.1
288.15952	1.3
314.17474	18.5
315.17743	1.1
336.06403	0.3
342.20544	0.5
344.22238	0.3
360.21744	1.3
370.20160	0.7
373.18683	0.8
388.21161	100.0
389.21506	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	388.2119
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
62.93975	0.4
67.05508	0.5
68.05033	0.7
69.03430	2.9
69.29156	2.0
71.04990	0.5
79.05501	1.0
80.05026	0.5
81.07059	1.2
83.01361	0.8
83.07339	0.5
86.06051	0.4
91.05507	1.9
93.07072	1.0
94.06570	0.4
95.04960	0.7
96.08153	2.4
99.04457	1.0
104.96307	0.4
105.07007	1.2
106.06573	1.5
108.08142	0.4
109.06519	0.8
117.07011	0.5
118.06528	0.9
119.08575	0.5
120.08105	2.9
121.06509	0.6
121.08917	0.5
122.09657	0.7
123.08060	0.5
124.11208	0.8
127.03934	1.0
129.07051	0.6
130.06519	0.7
131.08537	0.4
132.08093	0.4
133.06549	0.5
134.09729	0.9
135.08066	0.6
136.11227	1.7
137.06004	0.4
138.12781	6.9
143.08594	0.5
147.06827	1.1
148.07544	2.8
148.11258	0.4
149.05952	0.5
155.03406	2.0
155.07033	0.6
158.09624	0.4
159.08115	0.6
160.11189	0.8
161.08397	0.7
162.09171	2.1
162.12794	5.3
164.10658	0.4
164.14331	0.6
165.05536	1.0
167.07060	0.8
172.11241	0.7
174.12846	1.3
175.07547	0.5
175.09883	0.4
176.14363	1.6
183.06563	1.2
186.12811	1.0
187.11246	0.6
188.14407	0.5
190.12331	1.4
197.09630	0.4
197.12062	0.5
198.12735	0.6
204.13843	35.1
205.08571	0.4
205.14139	2.3
206.15384	0.8
207.06537	0.8
207.10080	0.4
218.11771	0.5
221.07985	0.5
224.14337	0.7
224.27298	0.4
225.07443	0.4
232.16988	1.4
247.09679	1.1
260.16476	6.4
261.16736	0.4
270.14838	1.8
273.11166	2.5
275.12775	5.3
285.11197	0.5
344.18454	0.7
360.21783	0.9
370.20087	1.9
373.86670	0.4
385.28998	0.4
388.21194	100.0
388.71268	1.9
389.21536	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	388.2119
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
55.01875	2.5
55.05514	0.3
67.05501	0.6
69.03430	2.6
69.07045	0.4
69.49199	1.0
69.49591	0.6
70.06582	1.0
71.04996	0.3
72.08163	0.3
79.05496	1.6
80.05021	0.5
81.07058	0.7
82.06574	0.5
83.04977	0.4
85.02897	1.5
86.09692	0.5
91.05465	0.8
93.07034	1.2
94.06569	2.3
95.04959	0.5
95.08596	0.5
97.02886	0.5
98.06031	0.5
99.04436	0.5
103.12981	0.3
105.07015	0.9
106.06594	0.5
107.08612	0.9
108.08120	1.6
108.08748	0.3
110.09687	0.3
111.08073	0.5
113.02363	2.7
119.08591	0.4
120.08125	1.0
121.08874	0.5
122.09674	1.3
124.03919	0.4
124.07594	0.4
125.05983	1.6
126.05491	0.5
131.08554	0.4
132.08069	0.8
133.08888	0.3
133.10165	0.6
134.09685	1.3
135.10345	0.3
136.11209	2.6
137.05968	0.6
144.08078	0.4
146.09627	1.9
147.10391	0.3
148.11206	1.3
150.09138	0.6
150.12827	0.3
152.07053	0.7
155.08560	0.5
158.09682	0.5
160.07582	0.5
160.11244	1.0
162.09135	0.4
162.12753	0.5
164.14352	0.5
168.10115	0.5
172.11234	0.4
173.09586	1.3
174.09120	0.7
174.12799	2.2
176.07004	0.5
176.14337	0.9
184.11176	0.5
186.12790	0.6
188.07069	1.1
188.10712	0.5
190.08534	1.4
190.12170	0.3
191.09447	0.3
192.13834	1.4
194.11922	0.4
198.12820	0.6
200.10724	0.4
202.08630	1.4
202.12276	0.5
202.15895	1.2
204.10172	0.7
204.13785	0.7
212.10622	0.4
214.12314	0.9
214.15813	0.4
216.10207	1.2
216.13689	0.4
217.10907	0.4
218.11876	0.7
220.13333	1.6
228.10242	0.4
228.13889	0.5
228.17419	0.5
230.11723	1.1
230.15434	0.7
230.19135	0.3
232.13344	3.3
234.14877	0.8
242.11760	1.1
242.15382	0.4
244.16949	0.7
246.14819	1.9
246.18607	0.6
248.20070	0.4
258.14908	4.5
259.15289	0.6
268.17096	0.4
270.15005	0.5
272.16464	1.0
274.18024	0.6
276.19571	2.0
282.14682	0.3
296.16397	1.3
314.17450	2.1
314.21167	0.8
324.19461	0.8
328.15384	1.0
342.20654	6.8
343.21078	0.8
344.22272	0.3
352.19095	0.5
360.21689	6.2
361.21939	0.7
370.20078	5.3
371.20453	0.5
388.21161	100.0
389.21503	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	388.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
53.10799	0.2
53.22609	0.2
55.01873	1.0
55.05492	0.2
56.05029	0.5
58.06593	0.2
61.94976	0.2
67.05506	1.0
68.05030	0.3
69.03432	1.7
69.07056	0.2
70.06601	1.9
71.04993	0.3
73.16885	0.2
73.51367	0.2
73.98631	0.2
76.48399	0.2
79.05490	1.5
80.05018	1.6
81.07063	1.4
82.06573	0.5
83.07365	0.3
84.08152	1.3
84.53466	0.2
88.64541	0.2
91.05482	1.1
91.42661	0.2
93.07043	1.5
94.06573	1.6
95.04959	0.4
95.07350	0.6
95.08593	1.0
96.08126	2.0
97.08916	0.2
99.04468	0.2
105.07018	1.4
106.06561	0.4
107.08593	0.9
108.08104	1.1
109.06522	0.5
109.08897	0.4
110.09676	3.3
111.45441	0.2
112.07596	0.3
117.07018	0.5
119.08566	0.9
120.08101	0.7
121.06506	0.6
121.10104	0.3
122.07327	0.2
122.09670	2.5
123.04407	0.8
123.07966	0.3
124.07561	0.2
124.11211	0.4
125.02392	0.3
125.06000	1.2
126.09213	0.2
128.82547	0.2
129.07045	0.4
131.08574	0.6
132.08128	0.4
133.06448	0.4
133.10109	0.3
134.09671	1.3
135.08052	0.8
135.10397	0.2
136.11247	1.9
137.06003	0.4
138.09128	0.3
138.12750	0.3
142.07738	0.2
143.08583	0.4
145.06479	0.4
145.10130	0.6
146.09595	0.5
147.08049	0.6
147.11670	0.5
148.11209	0.5
149.06004	0.7
149.09641	0.3
150.09117	1.9
151.07552	0.4
151.09456	0.2
152.10706	0.6
153.05431	0.2
157.10117	0.5
159.08118	0.3
159.11710	0.2
160.11263	0.4
161.09622	0.5
162.09093	0.3
162.12785	1.8
163.07581	0.5
163.11200	0.3
164.14346	0.5
168.10236	1.0
169.10214	0.3
171.07971	0.2
172.11267	0.3
173.09645	0.4
175.07605	0.4
175.11116	0.9
176.14314	0.2
177.12776	0.4
182.11781	3.0
183.12022	0.3
184.13348	1.6
185.09641	0.2
187.07573	0.3
189.09091	0.3
190.12157	0.2
190.15994	0.3
191.10637	0.4
201.09171	0.4
202.12245	0.3
203.10716	0.5
206.11723	0.2
208.13344	0.3
217.08588	3.3
218.08995	0.3
219.10170	0.6
220.13341	0.3
225.12720	0.2
227.10527	0.2
234.14983	0.3
236.16451	1.6
241.12187	0.2
248.12904	0.3
270.18567	0.4
286.14758	0.3
286.17926	1.2
288.15781	1.6
314.17490	18.9
315.17761	2.2
330.16861	0.4
342.20517	0.7
344.22275	0.3
360.17896	0.2
360.21741	0.8
370.20151	0.5
388.21158	100.0
389.21509	11.2
389.26816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05523	0.9
57.07077	0.6
59.60925	0.5
61.02929	1.1
67.05511	1.3
69.03428	3.7
69.07074	0.8
69.36124	1.0
69.36511	1.1
70.06588	0.7
71.04990	2.8
73.01115	0.5
79.05494	0.8
80.40426	0.5
81.03410	1.6
81.07068	2.8
83.01350	1.3
83.05003	0.7
85.02908	7.4
85.06560	1.3
86.09710	2.3
87.04407	0.6
91.05478	1.7
93.07038	2.7
95.04972	14.9
95.08591	1.6
96.08105	0.9
97.02905	1.9
97.06535	1.9
99.04468	4.9
99.08107	1.3
105.03375	0.8
105.07026	3.0
107.04964	0.9
107.08594	4.5
109.02907	1.0
109.06532	1.5
109.10162	8.1
111.08064	0.8
113.02367	3.1
115.07591	1.4
119.08590	1.4
120.08097	1.6
121.06528	1.0
121.10139	1.6
123.08060	1.1
123.11722	2.7
124.07568	0.9
125.09595	0.8
126.50198	0.6
127.03918	2.4
131.08565	2.4
133.10132	13.1
135.08058	1.1
136.11208	5.5
137.06024	1.0
137.09650	0.6
137.11549	3.7
138.12828	0.8
139.11218	0.6
145.04990	1.2
145.10117	0.7
147.11700	0.8
149.09598	0.7
149.13284	1.2
151.11209	2.9
153.09113	6.9
158.10878	0.6
162.12784	2.2
163.13228	1.0
163.14844	0.7
164.14340	0.5
166.08629	0.9
169.12230	1.9
173.13268	4.5
177.05544	0.9
177.34964	0.6
182.11832	1.2
190.12305	0.7
191.14311	6.8
193.04967	0.9
204.13846	3.9
205.14207	4.9
209.15379	15.6
227.09053	0.9
227.16466	3.0
236.16203	0.8
261.16748	1.0
275.10901	6.3
278.17322	0.6
289.57657	0.6
292.18982	0.8
316.19141	0.9
345.15094	0.7
388.21588	0.5
389.14163	100.0
389.21640	19.3
390.14465	4.9
390.19025	15.2
390.22861	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	389.1423
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
53.03927	0.9
55.05523	0.9
57.07077	0.6
59.60925	0.5
61.02929	1.1
67.05511	1.3
69.03428	3.7
69.07074	0.8
69.36124	1.0
69.36511	1.1
70.06588	0.7
71.04990	2.8
73.01115	0.5
79.05494	0.8
80.40426	0.5
81.03410	1.6
81.07068	2.8
83.01350	1.3
83.05003	0.7
85.02908	7.4
85.06560	1.3
86.09710	2.3
87.04407	0.6
91.05478	1.7
93.07038	2.7
95.04972	14.9
95.08591	1.6
96.08105	0.9
97.02905	1.9
97.06535	1.9
99.04468	4.9
99.08107	1.3
105.03375	0.8
105.07026	3.0
107.04964	0.9
107.08594	4.5
109.02907	1.0
109.06532	1.5
109.10162	8.1
111.08064	0.8
113.02367	3.1
115.07591	1.4
119.08590	1.4
120.08097	1.6
121.06528	1.0
121.10139	1.6
123.08060	1.1
123.11722	2.7
124.07568	0.9
125.09595	0.8
126.50198	0.6
127.03918	2.4
131.08565	2.4
133.10132	13.1
135.08058	1.1
136.11208	5.5
137.06024	1.0
137.09650	0.6
137.11549	3.7
138.12828	0.8
139.11218	0.6
145.04990	1.2
145.10117	0.7
147.11700	0.8
149.09598	0.7
149.13284	1.2
151.11209	2.9
153.09113	6.9
158.10878	0.6
162.12784	2.2
163.13228	1.0
163.14844	0.7
164.14340	0.5
166.08629	0.9
169.12230	1.9
173.13268	4.5
177.05544	0.9
177.34964	0.6
182.11832	1.2
190.12305	0.7
191.14311	6.8
193.04967	0.9
204.13846	3.9
205.14207	4.9
209.15379	15.6
227.09053	0.9
227.16466	3.0
236.16203	0.8
261.16748	1.0
275.10901	6.3
278.17322	0.6
289.57657	0.6
292.18982	0.8
316.19141	0.9
345.15094	0.7
388.21588	0.5
389.14163	100.0
389.21640	19.3
390.14465	4.9
390.19025	15.2
390.22861	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	389.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29636	0.5
53.03941	0.5
55.05500	0.8
56.36834	0.5
57.82989	0.5
67.79858	0.5
69.03423	0.5
69.07077	3.6
69.92164	1.5
70.06588	0.7
70.64003	0.5
73.06563	2.6
73.06921	0.5
77.03916	1.1
81.07040	1.5
81.15419	0.4
89.03922	6.4
95.04961	1.1
95.08652	0.5
97.02907	0.6
98.22807	0.8
103.04210	0.6
105.03387	11.6
105.07024	0.6
107.08617	0.5
111.12868	0.5
116.04981	55.1
117.05303	1.5
122.09692	0.9
129.09145	0.5
129.38649	0.5
131.03690	2.4
132.04468	4.8
134.06026	2.4
136.11166	0.7
137.05981	1.9
138.43343	0.5
144.04445	8.9
156.04475	0.6
157.07632	0.7
160.50935	0.5
162.05501	62.9
163.05829	1.9
168.10172	0.6
172.03925	16.9
173.04332	0.7
182.11726	1.1
190.04993	100.0
191.05315	3.7
225.10101	1.0
226.08617	0.6
236.16359	1.0
243.11241	1.6
244.09689	10.3
245.10037	0.7
261.12378	12.1
262.10742	56.9
263.11099	3.6
264.19489	1.0
292.19049	1.8
311.17511	6.4
316.19089	0.7
329.18585	96.1
330.18930	8.1
343.20093	0.7
353.99554	0.6
357.18048	1.8
371.19540	2.4
389.20776	17.5
390.22769	21.0
390.35788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2149
Annotation	Asp Arg Val
Peak:m/z	Relative Intensity
50.39746	0.3
50.53056	0.3
55.01850	0.4
56.84213	0.4
67.05511	0.4
68.05000	0.3
69.03429	2.7
70.03762	0.5
71.04987	0.5
74.40140	0.3
79.05491	1.0
80.05009	0.4
80.05811	0.4
81.07063	0.6
82.06587	0.8
83.01334	1.1
83.04933	0.3
84.01660	0.4
85.45212	0.3
91.05478	1.5
92.05824	0.7
93.07048	0.9
95.04980	0.7
96.08133	3.4
97.08459	1.5
98.22617	0.7
99.04449	0.6
105.07027	0.9
106.92571	0.3
107.08609	0.6
119.08584	0.7
120.08118	0.5
120.08889	0.4
121.06512	0.6
127.03911	0.6
131.08530	0.5
134.09653	0.5
135.08090	0.3
136.11198	1.0
137.11565	0.8
138.12776	5.7
139.13120	5.0
141.05469	0.6
145.06383	0.5
148.07417	0.5
152.70914	0.3
155.03412	1.7
156.03738	0.4
159.11797	0.3
159.94212	0.3
160.08369	0.3
162.09081	0.7
162.12769	1.0
163.09639	0.4
163.13107	1.0
167.06990	0.6
173.09561	0.4
176.14363	1.3
177.11209	0.4
177.14680	1.2
183.06540	0.5
184.06831	0.4
191.12643	0.5
204.13844	3.4
205.08549	0.7
205.14204	5.1
206.08931	0.5
206.15161	0.7
207.15683	0.4
222.08357	0.4
234.08527	0.6
234.18489	0.4
235.18929	0.4
260.16373	0.5
261.16754	1.2
264.09491	0.4
274.11520	0.9
275.12778	1.8
276.13113	5.0
342.17865	0.3
361.22101	0.5
371.20572	0.7
374.19690	0.4
388.21060	1.8
389.21506	100.0
390.21750	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	389.2149
Annotation	Asp Arg Val
Peak:m/z	Relative Intensity
54.42647	0.3
67.05489	0.7
68.05017	0.4
69.03445	2.2
70.03746	0.4
79.05497	1.1
80.10532	0.4
81.03384	0.4
81.07064	0.7
83.07363	0.5
91.05486	1.3
91.53300	0.3
92.05832	0.6
93.07066	0.8
95.04948	0.7
96.08139	2.8
97.08443	0.5
99.04461	0.7
105.07069	0.7
106.06547	1.0
107.08590	0.5
109.06537	0.7
117.07055	0.5
118.07321	0.3
119.08627	0.5
120.08105	1.6
121.06452	0.5
121.08432	1.0
124.11227	0.5
127.03947	0.7
130.07455	0.4
134.09570	0.4
135.07941	0.5
136.11214	1.3
137.05986	0.5
137.11537	0.8
138.12782	5.0
139.13121	2.9
147.06793	0.7
148.07512	1.4
149.07932	1.1
155.03412	1.5
155.07021	0.6
155.12625	0.4
156.03741	0.8
162.09117	1.0
162.12752	2.5
163.09464	0.6
163.11081	0.4
163.13126	3.1
165.05495	0.8
165.14629	0.4
169.10161	0.5
173.05940	0.5
174.12762	0.5
175.13086	0.6
176.14339	1.0
177.14632	1.6
184.06844	0.6
186.88867	0.4
189.14656	0.6
190.12265	0.6
204.13826	13.1
205.14182	19.1
206.14404	0.6
215.16246	0.4
219.15788	0.5
221.07938	0.4
233.17284	0.9
234.08594	0.6
260.16452	2.1
261.16766	4.4
264.09402	0.4
264.83118	0.3
274.11633	0.8
275.12650	1.6
276.13092	3.2
315.33463	0.4
331.17355	0.5
342.17828	0.6
361.21854	0.5
371.20349	0.7
389.21503	100.0
390.21820	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	390.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
57.03425	2.9
69.03423	1.5
69.94952	1.5
70.06576	1.7
71.01339	0.6
71.04973	1.1
77.03934	2.1
79.05492	6.5
81.07069	0.9
84.08121	0.9
85.02897	3.5
86.09693	1.7
91.05461	1.1
93.07050	1.2
95.01308	1.6
95.04972	6.7
95.08576	0.8
96.04490	1.5
96.05342	0.8
98.23384	1.3
99.04461	1.2
105.03389	100.0
106.03727	3.1
107.08574	0.7
109.10161	1.4
110.10501	0.8
113.02344	1.4
122.09672	0.9
123.04430	8.5
129.53499	0.6
133.10121	2.0
134.09612	0.8
134.10468	1.5
136.11201	1.3
137.05959	1.6
141.01846	2.9
149.02364	0.6
150.09190	1.0
151.11203	0.7
153.09068	1.2
154.09457	0.7
170.12668	0.7
179.07022	45.7
180.07419	2.1
182.11821	1.5
184.92810	0.6
191.14313	0.8
192.14609	1.2
194.15521	0.6
197.08083	24.3
198.08371	0.7
209.15469	1.2
210.15701	2.3
236.16464	1.9
248.20090	1.6
260.16443	1.5
260.59906	0.7
264.19455	0.8
292.18973	3.1
296.76801	0.7
329.64557	0.7
344.22336	0.8
355.10260	1.9
362.23209	1.7
390.14465	3.2
390.22760	38.7
391.23019	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	390.1911
Annotation	14-Hydroxyisostephodeline
Peak:m/z	Relative Intensity
51.12976	0.4
55.01871	1.1
55.05513	0.7
67.05499	1.5
68.05029	0.6
69.03428	5.9
69.07030	0.8
69.81535	1.0
69.81860	0.6
70.06602	2.4
71.04983	1.4
79.05493	1.9
80.05013	1.4
81.03399	0.6
81.07056	3.1
82.06577	1.2
83.01343	6.6
83.04964	0.8
83.07363	1.4
84.08137	1.3
85.02897	1.0
86.06042	0.7
86.09717	0.5
91.05479	1.7
93.07046	1.7
94.06561	1.7
95.04982	2.5
95.08612	1.3
96.05312	0.6
96.08138	2.5
97.02891	1.6
97.06561	1.1
98.06053	0.6
98.09789	0.5
98.23371	0.6
99.04451	0.7
105.03423	0.7
105.07037	1.8
106.06553	1.8
107.04974	2.1
107.08602	1.9
108.08147	1.0
108.08883	0.5
109.02884	0.7
109.06509	1.4
109.08929	0.8
109.10159	1.0
110.09737	1.1
111.08103	1.1
114.05538	0.6
115.03883	0.6
117.06998	0.5
119.08594	1.4
120.08138	3.6
121.06488	2.0
121.10115	0.5
122.09689	2.2
123.04443	0.6
124.07579	1.5
124.11230	1.7
125.05994	1.2
125.09645	0.9
126.12820	0.7
128.06227	0.5
128.07074	0.5
131.08560	1.0
132.08084	0.8
133.10138	1.2
134.09625	1.1
134.10538	0.7
135.08075	1.0
136.11195	3.7
137.05971	4.8
137.09608	0.7
138.12776	1.2
139.11086	0.5
140.07106	0.5
142.12289	0.8
145.04953	0.5
145.10057	0.9
147.08025	0.9
147.11671	0.5
148.07556	1.8
148.11224	1.2
149.09607	1.0
150.09126	1.5
152.07100	0.7
152.10696	2.0
153.05498	0.7
153.09160	0.5
154.12280	0.9
155.28311	0.5
157.10110	0.4
159.08063	0.5
159.11639	0.7
160.07561	0.6
161.05991	0.5
162.09148	0.7
162.12776	7.1
163.07495	0.7
164.14369	2.7
165.09169	0.7
166.08653	0.8
166.15994	0.9
168.10184	1.7
169.04950	0.6
170.11703	2.2
171.08168	0.4
172.11160	0.7
174.12791	1.4
175.07642	1.3
176.10692	1.0
176.14337	1.5
177.12804	0.6
178.15919	0.5
182.11758	5.2
184.13354	0.8
186.12701	0.8
188.10823	0.7
190.12239	2.1
191.13005	0.6
194.11743	2.0
194.15355	0.8
200.14438	0.7
203.10632	0.6
204.13838	4.0
204.17522	0.9
207.06613	0.6
208.13348	2.4
209.08144	0.8
209.15559	0.5
210.15620	0.8
211.09695	0.5
214.15900	0.5
216.17308	0.5
218.11694	0.6
221.11723	1.0
222.14920	0.5
228.03293	0.6
232.16968	2.9
233.08127	0.5
236.12831	0.9
236.16454	2.6
250.18036	2.0
258.14893	0.9
259.09616	0.6
264.19571	1.2
272.16330	0.7
278.17508	3.4
288.16034	0.5
292.15698	0.7
292.18979	6.2
297.14813	1.1
298.14023	0.5
315.15808	0.6
316.19080	2.0
318.20551	0.6
326.17352	0.8
328.19046	1.0
332.18661	0.6
344.18436	1.2
346.20029	1.6
358.20349	0.6
362.19434	1.6
362.23456	1.0
372.17575	2.8
380.06464	0.5
390.18994	100.0
390.22910	46.7
391.18988	9.7
391.23309	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05504	1.4
57.07056	0.6
67.05494	1.4
68.05029	0.8
69.03425	3.5
70.06595	4.9
70.59278	0.8
71.04988	2.7
79.05478	1.4
80.05017	7.6
80.12748	0.4
81.07062	4.6
82.06582	0.7
83.04980	0.6
84.04535	0.6
84.08147	3.0
85.02914	1.2
86.09686	1.0
91.05486	0.8
93.07057	1.4
94.06554	3.4
95.04980	5.5
95.08617	1.1
96.04568	0.5
96.08120	1.4
96.58697	0.5
97.02899	1.2
99.04443	1.1
105.07044	1.4
106.06551	1.9
107.07399	0.5
107.08604	2.1
108.08112	1.0
109.06528	1.8
110.09649	1.0
111.08077	1.2
119.08573	0.9
120.08102	2.2
122.09657	3.0
123.08090	1.3
124.07607	1.4
124.08839	1.0
124.11203	0.9
125.05991	1.0
125.09651	1.1
127.07458	0.5
128.07014	0.6
129.10248	0.5
131.08595	0.6
132.08141	0.7
135.08076	0.8
136.07536	0.8
136.11212	2.6
137.05980	8.0
138.09171	2.6
142.08649	0.7
146.09660	0.9
148.07550	3.0
148.11214	5.0
149.02348	0.8
149.09642	0.8
150.09137	3.4
152.10716	1.6
154.12288	1.4
160.07590	0.9
162.12767	0.8
164.10719	0.6
164.14366	0.7
166.12267	17.9
166.15958	1.3
167.12639	0.8
168.10231	1.8
172.07590	0.7
176.10742	1.0
180.10191	0.5
182.11749	9.0
182.13336	0.5
184.13315	1.0
189.12758	0.6
194.11838	0.6
194.15382	1.4
202.12222	0.6
204.13815	0.6
206.15419	1.3
211.58145	0.5
214.12363	1.7
220.13336	2.2
221.11714	2.9
224.16454	7.0
232.13286	3.1
234.14838	1.3
236.16440	4.2
238.14436	0.7
246.18620	0.5
250.14400	3.5
252.15973	1.2
264.19714	2.5
268.15524	1.0
270.17059	1.5
272.16376	0.6
286.16522	1.1
290.17493	3.1
292.19034	13.8
293.19238	0.9
308.18524	4.1
310.20273	0.6
314.17545	0.5
314.66446	0.5
316.19125	3.3
318.17117	0.6
326.19641	13.2
326.23254	0.9
327.19940	0.8
336.18167	2.0
344.20694	2.0
354.19147	1.9
362.23309	0.5
372.20163	44.5
373.20496	3.4
390.22726	100.0
391.23108	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	390.2124
Annotation	alfuzosin
Peak:m/z	Relative Intensity
54.08429	0.6
55.01215	0.7
55.05504	1.0
57.03419	0.9
65.38643	0.6
67.05505	2.7
67.15984	0.7
67.90985	0.7
68.05030	1.4
69.03420	0.9
70.06585	1.4
71.05000	3.5
71.12968	0.8
79.05497	1.4
80.05017	19.6
81.05361	0.8
81.07059	1.3
82.06587	1.1
85.02927	3.6
85.06519	0.9
91.05482	1.9
93.07030	2.1
94.06586	4.8
95.04972	13.5
95.07341	0.9
95.08624	1.0
96.08134	1.8
98.06076	1.6
103.03931	0.7
105.07034	1.4
106.06586	3.9
107.08616	1.9
108.08111	1.6
109.06513	1.0
109.10136	0.7
119.08575	0.9
120.08139	4.1
122.06009	0.9
122.09676	1.2
123.04376	0.8
123.06808	0.7
124.07597	1.6
125.09633	1.6
131.08644	1.1
132.08095	0.8
133.08934	0.9
133.09999	0.7
134.09650	0.8
136.11217	1.8
137.05983	1.8
138.09154	8.3
140.10677	1.9
145.34277	0.8
146.05920	1.0
146.09679	0.9
148.07591	5.9
148.11194	9.0
150.09164	1.2
153.09132	1.0
158.09682	0.8
160.07611	2.4
160.11128	0.9
162.09113	1.4
164.10674	0.9
166.08630	1.7
166.12280	37.3
167.12628	1.5
172.07607	1.7
174.09142	1.5
176.10728	2.8
180.03430	0.8
182.11717	2.0
184.09714	3.0
184.13519	0.9
186.12811	1.7
188.10771	1.2
195.10246	0.7
202.12326	1.8
204.13824	1.1
206.15439	5.0
214.12144	1.2
220.13324	5.8
224.16440	14.3
225.16748	1.3
232.13280	7.0
234.14928	2.7
248.16435	1.1
250.14409	7.3
252.15973	2.2
256.15216	0.9
262.18076	0.9
264.19629	2.9
268.15359	1.2
270.16968	6.2
272.16440	2.3
282.20657	1.6
290.17490	8.3
291.18048	0.9
292.19116	3.3
308.18582	12.3
310.20044	2.7
318.16827	1.2
326.19620	26.4
327.19788	1.4
336.18054	7.7
344.20752	4.5
354.19354	4.0
372.20163	100.0
373.20560	4.1
390.21960	20.3
391.22580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92735	0.7
54.98586	0.6
55.01879	0.9
55.05505	1.4
67.05503	1.3
68.05025	0.9
68.45821	0.6
69.03429	3.9
69.42999	2.9
70.06602	2.9
71.04995	3.6
79.05492	1.8
80.05021	11.8
81.07055	4.6
82.06580	1.5
83.04990	0.8
84.08141	2.0
85.02909	2.2
85.06565	0.7
86.09726	0.9
91.05477	1.8
92.22464	0.6
93.07043	2.3
94.06586	3.7
95.04971	7.8
95.08631	1.6
96.08151	1.9
97.02898	1.6
98.06042	0.8
98.22731	1.3
99.04446	0.7
102.05559	0.7
105.07014	1.1
106.06537	1.9
107.04959	10.4
107.08616	2.1
108.08164	1.2
109.06531	1.4
111.08134	0.9
117.03395	0.8
119.08558	0.9
120.08094	2.4
122.06074	0.6
122.09656	3.1
123.08051	0.8
124.07619	0.9
125.06023	2.2
125.09600	0.9
131.08670	1.0
134.09673	1.2
135.08063	0.9
136.11227	2.3
137.05997	9.2
138.06270	0.9
138.09140	5.0
145.02876	1.9
148.06129	0.8
148.07579	3.4
148.11198	5.1
149.02351	1.0
149.05888	0.6
150.09163	4.0
152.10658	0.9
154.12370	1.2
160.07587	1.0
160.11333	0.6
162.12749	0.8
164.10706	1.2
164.14342	0.7
166.08693	0.7
166.12285	19.0
166.13695	1.1
166.15926	1.5
168.10207	2.4
171.10437	0.7
172.07594	1.6
174.09171	0.7
174.12708	0.6
176.10851	1.0
177.05519	2.1
182.11766	9.4
183.12051	0.9
184.09697	1.5
184.11310	0.7
184.13324	1.3
186.09186	0.7
186.12776	0.8
188.10643	0.8
188.14458	0.8
193.08617	1.7
194.11800	0.9
194.15475	1.4
197.04236	0.8
199.03757	0.9
206.15421	1.8
214.12309	2.7
215.05272	1.4
215.13838	0.9
220.13394	2.6
221.11765	2.8
224.16452	6.7
232.13339	3.4
234.14941	1.7
236.16486	3.9
250.14484	2.5
252.16020	1.6
264.19574	3.7
268.15460	0.9
270.17081	2.0
272.16617	0.9
290.17471	4.1
292.19061	12.8
308.18466	4.1
309.18823	0.8
310.20172	1.2
316.19122	3.0
318.17148	0.6
326.19595	11.5
327.19858	1.0
336.17923	3.6
341.11395	0.6
344.20773	2.6
354.19180	2.2
372.20166	54.8
373.20459	4.3
390.22754	100.0
391.10071	5.1
391.23117	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	390.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31292	0.1
53.03956	0.1
55.01873	0.5
55.05506	0.3
56.05029	0.1
58.06592	0.2
62.17490	0.1
62.93789	0.1
67.05504	0.7
68.05024	0.3
69.03430	2.4
69.07049	0.2
69.88673	0.3
69.89006	0.1
70.06594	3.1
71.04995	1.7
79.05496	1.2
80.05017	1.2
81.03417	0.1
81.07056	3.5
82.06580	0.4
83.04977	0.3
83.07354	0.2
84.08145	1.3
89.73360	0.1
90.30011	0.1
91.05463	0.6
93.07036	1.1
94.06573	0.8
95.04963	0.4
95.08605	0.9
96.05742	0.2
96.08118	1.1
97.02895	1.1
97.06521	0.2
97.08911	0.4
98.06036	0.2
98.09699	0.1
99.04459	0.3
100.07577	0.2
105.07018	0.9
107.08591	1.7
108.08093	0.4
109.06522	1.3
109.08898	0.2
109.10181	0.1
110.06018	0.1
110.09674	0.8
111.04457	0.2
111.08089	0.8
111.10490	0.1
112.07640	0.2
117.07001	0.2
119.08549	0.5
120.08106	0.3
121.06522	0.2
121.08871	0.1
121.10155	0.2
122.09657	2.3
123.04440	0.2
123.08057	0.6
123.10449	0.2
124.07594	0.3
124.08863	1.1
124.11224	0.8
125.05990	0.5
125.09639	0.1
126.09144	0.3
126.12837	0.1
128.07088	0.4
131.08577	0.4
133.10121	0.2
134.09608	0.5
135.08083	0.6
135.10440	0.1
136.11208	1.4
137.05977	8.4
137.12036	0.2
138.06291	0.1
138.09129	0.1
138.12766	0.2
140.07082	0.1
143.08568	0.1
145.10123	0.6
147.11656	0.3
148.11208	0.4
149.09593	0.1
149.12051	0.1
149.13222	0.2
150.09138	2.3
150.12749	0.2
152.10675	0.6
154.12241	0.5
157.10135	0.1
159.11711	0.2
160.11249	0.3
161.09581	0.1
161.11992	0.1
161.13235	0.1
162.09169	0.2
162.12776	1.2
164.10704	0.2
164.14400	0.5
166.15916	1.6
168.10207	2.2
170.11746	0.2
173.09628	0.2
174.06798	0.1
174.12741	0.2
175.11192	0.3
176.10870	0.1
176.14383	0.3
177.12750	0.1
178.12366	0.1
178.15851	0.1
179.16653	0.1
180.10213	0.4
182.11763	4.4
183.11932	0.1
184.13380	0.7
187.11255	0.1
188.14297	0.1
190.15910	0.5
192.13870	0.2
192.17534	0.3
194.15370	1.1
196.13304	0.2
198.11266	0.3
200.14435	0.1
203.10616	0.2
203.62540	0.1
205.12236	0.1
206.11839	0.1
206.15512	0.2
208.13463	0.2
210.14917	0.1
216.13936	0.1
218.15437	0.2
219.10156	0.1
220.13390	0.1
221.11711	2.0
221.13712	0.2
222.14879	0.2
234.14932	0.4
235.15657	0.1
236.16444	6.0
237.16879	0.1
238.14398	0.1
246.18384	0.1
250.14192	0.1
260.16483	0.1
264.19562	2.6
274.18167	0.3
278.17496	0.3
290.17484	0.5
292.19064	5.0
293.19443	0.2
316.19067	2.7
317.19702	0.1
346.23688	0.2
362.23123	0.4
372.21683	0.3
389.21426	0.2
390.22723	100.0
391.23050	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	390.2273
Annotation	11(S),12(R)-Dihydrostemofoline
Peak:m/z	Relative Intensity
55.01873	0.5
55.02100	0.1
55.05502	0.4
56.05024	0.1
58.06595	0.1
67.05490	0.7
68.05022	0.3
69.03424	2.7
69.07054	0.2
69.41991	0.5
70.06588	4.1
71.04633	0.1
71.04990	1.9
76.02808	0.1
77.43664	0.1
79.05486	1.2
80.05009	1.2
81.03414	0.1
81.07054	3.7
82.04198	0.2
82.06582	0.3
83.04964	0.3
83.07363	0.2
84.08137	1.3
86.06069	0.1
91.05470	0.7
93.07049	1.3
94.06562	1.0
95.04959	0.4
95.08606	1.0
96.05757	0.2
96.08127	1.2
97.02888	1.3
97.06519	0.3
97.08908	0.4
98.06036	0.2
98.09725	0.2
99.04442	0.4
100.07618	0.2
105.07004	0.9
107.08585	2.0
108.08120	0.4
109.06512	1.4
109.08881	0.3
109.10155	0.1
110.06027	0.1
110.09671	1.0
111.04443	0.2
111.08093	1.1
111.10460	0.1
112.07608	0.2
112.83971	0.1
117.07014	0.3
119.08571	0.6
120.08071	0.4
121.06512	0.1
121.08829	0.1
121.10133	0.4
122.07308	0.1
122.09660	2.5
123.08044	0.6
123.10445	0.1
124.07607	0.3
124.08859	1.2
124.11227	0.8
125.05976	0.7
125.09608	0.1
126.09146	0.3
128.07056	0.5
129.07024	0.1
131.08542	0.5
132.08109	0.2
133.10143	0.4
134.09644	0.4
135.08028	0.7
136.11209	1.7
137.05971	10.4
137.11977	0.1
138.06285	0.2
138.09074	0.1
138.12752	0.3
140.07027	0.2
140.10669	0.2
142.08607	0.2
145.10120	0.6
147.08051	0.1
147.11661	0.2
148.11192	0.4
149.09589	0.2
149.12047	0.2
149.13177	0.2
150.09126	2.6
150.12708	0.2
151.07536	0.2
152.10672	0.8
154.12283	0.6
157.10146	0.2
158.09612	0.1
159.11684	0.3
160.11238	0.3
161.09628	0.2
162.09099	0.1
162.12766	1.3
164.10742	0.2
164.14325	0.5
166.12282	0.1
166.15915	1.8
168.08780	0.2
168.10193	2.8
169.10112	0.2
170.11792	0.2
172.11143	0.1
173.09529	0.1
174.12781	0.1
175.11169	0.4
176.10741	0.2
176.14317	0.3
176.52838	0.1
177.12657	0.1
178.15886	0.1
180.10184	0.3
180.13715	0.1
182.11760	5.5
183.11790	0.2
184.13306	1.1
185.09657	0.2
190.12230	0.1
190.15898	0.6
191.10742	0.1
192.13869	0.4
192.17514	0.3
194.11853	0.1
194.15353	1.3
196.13290	0.2
198.11201	0.3
203.10657	0.3
204.13828	0.1
206.15367	0.1
208.13387	0.2
210.14951	0.2
218.15514	0.2
219.10257	0.1
221.11710	2.9
222.14906	0.3
234.14827	0.3
235.15643	0.2
236.16437	6.6
237.16740	0.3
245.40381	0.1
246.18686	0.1
250.14421	0.2
262.17911	0.1
263.18790	0.1
264.19547	3.1
274.18051	0.3
278.17606	0.4
290.17505	0.4
292.19043	6.5
293.19543	0.3
316.19049	3.4
317.19363	0.2
320.18619	0.2
344.22339	0.1
346.23672	0.1
362.23132	0.4
372.21771	0.3
389.22110	0.1
390.22708	100.0
391.23041	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	390.2276
Annotation	11(S),12(R)-Dihydrostemofoline
Peak:m/z	Relative Intensity
55.01870	0.6
55.05518	0.7
56.05025	0.4
58.06594	0.3
61.58889	0.2
67.05508	1.3
69.03432	4.2
69.07065	0.3
70.06593	4.3
71.05000	2.6
79.05495	1.3
80.05026	1.4
81.07060	5.1
82.06560	0.3
83.04974	0.6
83.07404	0.5
84.08144	1.5
87.46756	0.3
91.05515	0.6
93.07047	1.7
94.06573	1.2
95.04972	0.7
95.08631	1.2
96.05765	0.5
96.08142	1.7
97.02897	1.7
97.06539	0.8
97.08907	0.6
99.04473	0.6
100.07603	0.5
105.07017	1.3
107.08595	2.2
108.08096	0.5
109.06540	2.2
109.08947	0.5
110.06082	0.3
110.09696	1.1
111.04420	0.4
111.08072	1.2
119.08598	0.5
120.08103	0.4
121.10181	0.6
122.07227	0.4
122.09666	4.4
123.08073	0.8
124.07569	0.3
124.08875	1.1
124.11250	0.9
125.05981	0.8
126.09129	0.3
128.07115	0.4
131.08543	0.6
133.10175	0.3
134.09689	0.5
135.08086	1.0
136.11244	2.7
137.05988	10.4
138.06351	0.3
138.12788	0.6
142.08626	0.3
145.10126	0.9
146.09691	0.4
147.07991	0.4
148.11256	0.4
150.09161	3.8
150.12790	0.4
152.10725	0.9
154.12299	0.8
161.09587	0.4
162.12778	1.5
164.10660	0.3
164.14421	0.3
166.15941	2.1
168.10210	3.6
176.14368	0.7
180.10173	0.4
182.11760	5.6
184.13399	1.1
190.15962	0.6
192.17523	0.4
194.15477	1.5
196.13297	0.5
198.11287	0.4
208.13208	0.3
218.15462	0.4
221.11774	2.9
228.07565	0.3
234.14990	0.5
236.16455	7.9
237.16707	0.6
264.19553	3.3
274.18121	0.4
278.17508	0.5
290.17560	0.6
292.19092	6.0
301.11545	0.3
316.19110	3.0
362.23636	0.4
370.51190	0.3
390.22751	100.0
391.23096	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	390.2276
Annotation	Neotuberostemonol
Peak:m/z	Relative Intensity
53.55499	0.5
55.01854	0.7
56.05058	0.5
67.05529	0.7
67.16258	0.4
68.05052	0.6
69.03431	1.6
69.54508	2.1
70.06597	2.5
71.04982	1.0
74.60446	0.5
79.05498	1.9
80.05025	1.2
80.94565	0.5
81.07066	7.9
82.06590	1.8
82.07399	0.8
84.08148	1.3
91.05493	1.3
93.07053	1.2
94.06567	1.4
95.08594	1.2
96.08137	1.8
97.08930	0.6
98.23441	0.5
100.07681	0.5
105.07038	0.5
107.08615	0.7
107.32919	0.6
108.08120	1.3
109.06506	2.6
110.09696	1.1
111.04455	1.7
113.41521	0.5
114.33022	0.5
119.08599	1.0
122.09688	2.0
123.04440	0.6
123.10458	1.6
124.11244	0.5
125.06033	1.4
126.09180	0.6
131.08591	0.7
133.66415	0.5
134.09654	2.2
136.11220	19.7
137.05974	6.9
137.11671	0.7
138.12793	1.0
148.11212	0.7
150.09160	2.0
152.10727	2.2
153.05487	0.7
154.12276	11.8
162.12762	1.0
163.21596	0.5
166.12306	1.1
168.10236	1.6
176.14381	1.5
180.10184	0.6
180.13876	2.0
182.11771	14.8
183.12103	1.1
184.13417	1.2
188.14310	0.6
194.11896	0.8
194.15286	0.6
221.11563	0.5
232.13406	0.8
234.14824	0.6
236.16469	2.6
260.16449	0.9
262.18115	3.0
264.19604	1.0
278.17459	0.6
292.19073	1.9
316.19080	1.2
372.21686	14.1
373.22110	0.8
390.22751	100.0
391.23074	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	390.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04783	0.2
51.52134	0.2
53.03934	0.5
55.01867	0.6
55.05507	0.5
56.55489	0.2
57.03432	0.4
67.05503	0.5
69.03430	3.0
69.62189	1.0
70.06595	2.4
71.04994	1.6
73.02953	0.3
74.15302	0.2
77.03925	0.5
79.05492	1.3
80.05015	0.9
81.07056	3.0
82.06568	0.3
83.01367	0.2
83.04983	0.3
84.08142	1.0
85.02909	1.2
87.42271	0.2
91.05457	0.4
93.07044	1.4
94.06556	0.9
95.01324	0.8
95.04963	1.7
95.08610	0.9
96.08145	0.9
97.02895	1.3
97.06554	0.4
97.08932	0.5
98.06118	0.3
98.23530	0.2
99.04459	0.8
99.08076	0.7
105.03395	29.6
105.07027	0.9
106.03693	1.1
107.08589	1.9
108.08099	0.3
109.06490	1.2
109.10182	0.7
110.09679	0.7
111.08073	1.6
112.07576	0.3
113.02381	0.6
119.08594	0.4
120.08105	0.3
121.06521	0.3
122.09669	2.6
123.04444	1.2
123.08086	0.7
124.07646	0.3
124.08858	0.5
124.11234	0.6
125.05986	0.5
128.07063	0.5
131.03354	0.2
131.08554	0.3
133.10165	0.5
134.09679	0.4
135.08063	0.5
135.11662	0.3
136.11211	4.6
137.05981	6.6
137.09621	0.3
137.77480	0.2
138.12791	0.3
141.01811	1.9
143.08635	0.3
145.10127	0.5
146.09615	0.3
148.11205	0.5
149.09732	0.3
150.09174	2.1
151.07556	0.3
152.10712	0.4
153.12808	0.2
154.12289	0.5
155.10757	0.3
159.02980	0.3
160.11209	0.5
162.12766	1.5
164.14401	0.7
166.15945	1.1
167.07074	0.3
168.10223	1.8
174.12805	0.5
176.14384	1.0
179.07027	7.7
180.07402	0.5
182.11775	4.2
184.13428	0.7
185.73415	0.2
190.15939	0.3
194.15430	1.0
197.08089	9.3
198.08459	0.3
200.14192	0.2
204.13838	0.3
208.13445	0.3
211.16969	0.9
218.15451	0.4
221.11719	2.2
222.14844	0.3
228.08820	0.2
234.14981	0.4
235.15506	0.2
236.16460	5.4
236.18657	0.4
248.16438	0.4
264.19638	1.7
274.17975	0.5
278.17633	0.5
290.17499	0.4
292.19061	6.2
293.19543	0.4
315.71289	0.3
316.19019	2.0
324.73483	0.2
337.09470	0.3
344.21912	0.3
362.23431	0.5
365.39563	0.2
372.21848	0.7
373.22275	0.3
390.22781	100.0
391.23132	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	390.2274
Annotation	11(S),12(R)-Dihydrostemofoline
Peak:m/z	Relative Intensity
55.01866	0.6
55.05497	0.4
67.05488	0.5
69.03423	2.1
69.42388	0.5
69.42767	0.6
70.06593	2.9
71.05000	1.3
79.05500	1.4
80.05014	1.1
81.07059	4.6
82.06559	0.7
83.07369	0.3
84.08139	1.4
91.05471	1.4
93.07043	1.1
94.06561	1.0
95.04980	0.5
95.08588	0.8
96.08123	1.3
97.02883	1.0
97.06512	0.3
97.08915	0.4
98.06080	0.3
99.04455	0.6
99.57962	0.3
100.07619	0.3
104.33308	0.3
105.03381	0.3
105.07032	0.7
107.08602	1.4
107.38250	0.2
108.08085	1.1
109.06517	2.2
109.08973	0.3
109.10117	0.3
110.09678	0.7
110.81167	0.3
111.04403	0.6
111.08074	0.5
114.09164	0.3
119.08579	0.7
120.08128	0.3
121.10246	0.3
122.09653	3.2
123.04427	0.4
123.08070	0.3
123.10412	0.7
124.08846	0.7
124.11214	0.5
125.05997	1.4
126.09153	0.5
128.07037	0.4
131.08563	0.6
133.10104	0.5
134.09648	0.9
135.08076	0.4
136.11212	12.8
137.05968	9.2
137.07011	0.5
137.09570	0.3
137.11575	0.4
138.06357	0.3
138.12732	0.6
142.08604	0.4
145.10069	0.5
148.11282	0.5
150.09099	2.2
150.12737	0.6
152.10675	1.3
154.12262	5.0
155.12621	0.3
159.11618	0.3
160.11272	0.4
162.12746	1.1
164.14417	0.5
166.15871	1.8
167.13000	0.4
168.10179	1.7
171.19862	0.2
174.12804	0.3
176.14343	0.5
180.13855	0.5
182.11754	10.0
183.11969	0.4
184.13358	1.3
190.15933	0.4
192.17543	0.3
194.11652	0.4
194.15428	0.8
220.13264	0.3
221.11659	1.5
234.14943	0.5
236.16455	5.4
237.16817	0.4
253.16631	0.2
260.16333	0.5
262.17929	1.2
264.19580	1.7
278.17538	0.6
291.32556	0.3
292.19055	4.7
311.42572	0.3
316.18994	2.7
338.48624	0.3
347.72711	0.3
372.21683	6.6
373.21951	0.6
390.22723	100.0
391.23019	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2277
Annotation	Neotuberostemonol
Peak:m/z	Relative Intensity
50.23003	0.3
55.01865	0.9
55.05507	0.8
56.05030	0.4
61.57288	0.3
67.05511	0.7
69.03430	2.4
69.41614	0.5
69.42030	0.8
70.06594	3.3
71.05004	1.3
79.05486	1.7
80.05009	0.9
81.03458	0.3
81.07053	6.3
82.06561	0.6
83.07362	0.4
84.08125	1.3
84.29804	0.3
91.05499	0.9
92.26923	0.3
93.07040	1.5
94.06573	1.3
95.04990	0.4
95.08616	0.9
96.08134	1.6
97.02890	0.9
97.06535	0.5
97.08927	0.6
99.04465	0.4
100.07602	0.4
105.07059	1.0
107.08593	1.1
108.08105	1.4
109.06527	1.9
109.08849	0.3
110.09686	1.2
111.04432	0.6
111.08085	0.7
112.07661	0.3
113.08331	0.3
117.07021	0.3
119.08606	1.0
121.10110	0.4
122.09661	2.5
123.08064	0.5
123.10496	0.5
124.07571	0.3
124.08877	0.6
124.11250	0.5
125.06001	0.9
126.09113	0.4
129.84436	0.3
133.10071	0.4
134.09669	0.8
135.08113	0.6
136.11205	13.3
137.05978	7.9
137.11566	0.3
138.06328	0.3
138.12819	0.8
142.08598	0.3
145.10133	0.3
147.11769	0.3
148.11218	0.5
150.09128	2.0
150.12776	0.4
152.10739	1.0
154.12263	5.6
162.12801	1.0
164.14378	0.9
166.15930	0.9
167.13100	0.6
168.10240	1.7
176.14374	0.6
180.10220	0.5
180.13809	0.7
182.11772	10.8
183.12120	0.5
184.13350	1.2
188.14337	0.4
190.15958	0.4
194.11624	0.3
194.15437	0.9
196.13351	0.3
204.13896	0.3
221.11624	1.5
226.42548	0.3
233.14093	0.3
234.14973	0.6
236.16461	3.8
262.18112	1.7
264.19513	1.7
278.17514	0.4
290.17361	0.5
292.19067	5.1
293.19470	0.6
316.19147	2.0
336.34839	0.4
372.21692	7.6
373.22012	1.0
390.22736	100.0
391.23090	12.2
391.27142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2277
Annotation	Neotuberostemonol
Peak:m/z	Relative Intensity
55.05507	0.5
57.03432	1.2
57.07072	0.6
58.06590	0.6
59.97769	0.5
61.85845	0.5
67.05508	2.3
68.05026	2.7
69.03438	8.5
69.28552	2.1
70.07166	0.4
71.04978	0.8
71.08633	0.8
78.29205	0.4
79.05505	1.2
81.07069	1.6
82.06577	1.2
83.01342	1.3
83.05000	0.5
86.06067	1.0
87.22910	0.4
87.50642	0.4
91.05481	1.5
93.05792	0.8
93.07056	0.8
94.06576	2.4
95.04982	1.0
96.08125	0.4
98.09679	0.5
99.04462	0.9
100.07606	2.9
100.11244	0.5
101.06038	0.5
105.07041	1.4
108.08115	0.5
109.06517	1.7
110.09695	2.6
111.08053	0.5
114.12815	3.7
117.07013	0.5
119.08570	0.5
120.08094	0.6
120.39951	0.5
121.06532	0.6
122.09695	1.0
123.08080	1.1
124.11235	10.1
127.03996	0.5
128.06195	0.7
131.08495	0.5
132.08127	0.6
133.08888	0.7
134.09642	0.9
136.07584	1.7
136.11211	1.9
137.06032	1.1
138.09161	2.2
138.12775	0.7
141.05545	0.4
142.12277	12.3
143.08557	0.5
145.06548	0.5
146.09669	8.5
147.07974	0.5
149.06017	0.5
151.03925	1.0
151.07520	1.1
155.07063	1.9
156.13855	1.3
160.11220	1.5
161.09659	0.5
165.05469	1.3
165.09253	0.4
167.07022	0.8
170.09671	0.4
172.11203	0.5
174.12790	1.7
179.07011	0.9
181.08562	1.0
183.06528	4.3
188.10767	0.9
188.14319	0.8
189.09200	0.7
189.15099	4.1
190.12299	0.5
190.15849	2.3
191.16270	0.5
192.13837	1.0
193.08659	0.6
200.10591	0.5
207.06560	1.0
209.63249	0.4
216.17468	5.6
217.18092	0.5
219.10463	0.5
230.15422	0.6
230.19106	0.5
242.15457	1.3
244.16966	4.1
247.09717	1.3
249.11267	2.9
264.19684	0.5
276.12296	2.2
292.15494	0.6
296.20102	0.9
298.18396	0.4
328.22711	0.9
332.18576	1.2
372.21695	9.8
372.26404	0.5
373.22192	1.3
375.20563	0.6
389.21658	1.0
390.22754	100.0
391.23111	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	390.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05491	0.4
57.07061	1.0
58.06593	0.5
67.05493	1.0
69.03432	2.0
69.07069	0.5
70.06595	4.0
71.04987	1.0
71.08635	1.0
72.08160	0.4
79.05484	0.7
80.05008	0.9
81.07058	2.0
81.67019	0.4
84.08154	0.7
86.09694	0.7
87.81539	0.3
88.07635	1.2
91.05506	0.7
93.07027	0.9
94.06539	0.8
95.08588	0.7
96.08125	1.1
97.02916	0.6
99.04493	0.4
100.07628	0.5
102.09164	0.5
105.07034	0.8
106.40799	0.4
107.08593	1.1
108.08189	0.4
109.06499	0.5
110.09638	0.4
119.08596	0.6
120.08129	0.8
122.09656	1.3
124.11237	0.5
132.10184	1.4
135.07986	0.5
136.11172	1.0
137.05984	2.8
138.12769	1.1
139.12991	0.6
146.11806	1.7
147.08086	0.5
149.02382	0.5
149.09605	0.7
150.08156	0.4
150.09180	2.8
151.07713	0.4
162.09109	0.6
162.12773	1.3
163.09891	0.5
163.13118	0.7
166.16010	0.4
168.10176	1.1
173.09589	0.4
176.10732	3.9
176.14316	0.5
177.14566	0.4
182.11784	2.4
184.06941	0.4
190.12270	0.8
194.11864	0.3
204.07860	0.3
204.13847	4.1
205.14171	4.0
205.15826	0.6
206.14503	2.8
215.36273	0.3
218.15315	0.4
220.16904	0.4
221.11623	0.8
232.16953	1.3
236.16461	2.5
240.26904	0.4
246.18622	0.4
248.20059	0.5
255.35034	0.4
261.16742	0.4
262.17203	1.0
264.19534	1.2
274.21509	0.6
277.13184	0.4
284.29529	2.7
292.19083	3.5
300.57611	0.4
316.18930	0.9
318.20407	0.6
319.26129	0.4
328.32089	6.0
334.27374	1.7
346.27322	1.8
362.30573	0.7
363.28845	0.8
372.21249	0.7
388.21033	0.7
389.21521	1.0
389.71689	2.4
390.22369	53.3
390.29971	100.0
390.35611	17.5
391.22839	3.9
391.30307	9.5
391.35953	1.0
410.14014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67977	0.8
52.17793	0.9
69.03429	1.7
70.06589	2.0
72.05584	0.9
80.05019	1.8
80.23748	1.0
81.07069	1.2
89.03909	3.6
90.39144	0.9
91.05490	1.5
97.02879	1.2
107.04951	4.6
108.05297	2.1
109.06493	0.9
117.03391	13.2
134.03676	1.2
134.09561	1.2
136.11203	1.3
137.06004	3.0
145.02844	40.2
146.03183	1.0
149.02344	2.6
149.06021	4.4
152.10660	1.3
168.10248	1.0
177.05466	55.9
178.05820	1.6
179.03209	2.8
182.11800	2.8
184.13405	1.2
189.12550	1.1
197.04193	11.4
199.03659	23.9
200.04047	1.7
215.05252	32.0
217.04752	2.1
236.16342	2.2
264.19589	1.1
292.19064	3.4
293.19223	1.3
372.20908	1.2
373.09125	6.9
373.20419	1.6
390.22723	33.8
391.09979	100.0
391.23029	28.9
392.10373	5.8
392.24200	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	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.7
55.67854	0.3
56.96577	0.8
57.07086	1.6
58.06632	0.3
63.53780	0.3
65.97038	0.3
67.05518	0.5
68.05046	0.4
69.03448	0.7
69.07069	0.5
70.06599	5.1
71.05004	0.7
71.06926	0.4
71.08631	0.7
72.08181	0.6
79.05514	0.7
80.05007	0.4
81.07074	0.6
84.08176	0.9
86.09718	0.9
88.07652	1.4
93.07072	0.8
95.08635	0.5
99.04453	0.4
102.09201	0.7
102.77227	0.3
107.08624	0.5
108.08963	0.3
110.09702	0.3
119.08627	0.4
122.09728	0.4
132.10220	2.0
136.11230	0.5
137.06039	0.8
137.11638	0.3
138.06354	0.4
138.91956	0.3
139.13115	0.3
146.11766	2.1
147.12105	0.4
149.02419	1.4
150.09172	0.4
154.12312	0.3
182.11844	1.0
204.13927	0.5
205.14308	0.6
236.16736	0.5
237.16841	0.9
267.09177	0.4
269.10733	0.7
284.29462	1.8
285.29984	1.2
292.19217	0.5
293.19440	2.0
317.19498	0.4
321.17017	0.8
328.32092	5.1
329.32428	4.3
351.18674	0.9
353.45493	0.3
369.19412	1.5
390.35770	12.8
390.40625	0.7
391.24503	100.0
391.35849	13.6
392.24628	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.4
69.03442	0.7
69.38313	0.9
69.38725	0.5
70.06580	1.8
80.94858	0.5
81.07072	0.8
99.04508	0.4
102.09180	0.3
104.99287	0.5
107.08589	0.3
111.08131	0.4
111.58196	0.4
120.08054	0.4
122.09635	0.4
124.11250	0.3
137.05991	1.3
138.06326	0.5
149.02309	0.7
182.11835	0.6
183.12125	0.7
222.12010	0.4
236.16286	0.3
237.16730	0.4
265.19998	0.4
284.29361	0.4
292.19177	0.3
293.19485	1.1
317.19669	0.3
328.32465	0.5
329.32779	0.4
351.18649	1.0
364.01666	0.3
369.19571	1.4
373.12244	0.7
390.31427	0.4
390.35660	1.9
391.24451	100.0
392.24625	11.4
414.14987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71510	0.4
57.07077	1.3
58.20841	0.4
69.48191	0.8
69.48579	0.8
70.06601	4.4
71.06947	0.7
71.08652	0.5
72.08186	0.5
81.07093	0.5
84.08155	0.6
86.09726	0.6
88.07648	1.1
98.23469	0.9
100.79832	0.4
103.09496	0.4
132.10205	1.7
146.11786	1.4
149.02319	0.7
196.38512	0.4
206.14597	0.5
220.38351	0.4
235.87431	0.4
284.29611	1.7
285.30042	0.9
321.16714	0.7
328.32104	5.0
329.32422	5.5
370.54367	0.5
390.35776	12.7
391.24579	100.0
391.35849	14.7
392.24765	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98849	0.8
55.05523	0.8
60.37903	0.7
69.03442	2.2
69.07074	1.1
69.64472	0.7
70.06604	2.0
70.80847	0.7
71.04996	1.7
80.05009	0.9
81.07066	2.2
84.08148	0.8
86.34600	0.6
91.05499	1.4
93.07063	1.0
95.05007	1.2
95.08636	1.4
96.08198	0.9
105.07049	1.1
107.08623	1.4
109.10225	0.8
119.08645	0.9
122.09730	1.6
131.08580	0.8
133.10207	0.8
136.11250	1.4
137.06035	3.0
138.06334	1.8
149.02345	3.7
163.13138	0.9
168.10257	1.0
182.11842	1.7
183.12119	1.1
205.14211	1.5
206.14491	0.9
235.96930	0.8
237.16885	1.5
292.19135	1.1
293.19525	3.1
390.35901	1.3
391.24139	100.0
391.36151	1.9
392.24432	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.05502	5.6
57.07072	3.7
64.75317	1.6
67.05492	5.8
69.03431	2.4
69.49511	1.4
70.06587	2.4
77.27957	1.7
79.05488	10.1
81.07063	18.7
83.04948	2.2
91.05468	10.4
93.07046	14.5
95.04990	17.1
95.08599	10.5
97.06537	2.3
98.65304	1.4
105.07032	25.8
105.42459	1.6
107.08571	11.3
109.06520	2.8
109.10132	3.1
111.08084	1.6
115.05415	1.7
117.07008	5.3
119.08582	19.1
121.06475	5.6
121.10165	9.4
123.08116	2.6
128.06200	2.8
129.06989	3.9
130.07773	2.1
131.08565	8.2
133.10124	6.5
133.28964	1.7
135.08055	2.4
136.11177	2.3
137.05981	2.9
141.06932	2.8
142.07770	7.0
143.08572	10.8
145.06491	1.9
145.10118	17.6
147.08054	1.6
147.11688	4.1
149.02325	4.4
155.08549	6.0
156.09317	5.3
157.10112	12.3
159.08037	2.5
159.11656	6.3
161.09673	2.5
165.07033	3.1
167.08522	3.6
169.10109	9.3
171.11656	5.6
173.09605	3.1
173.13237	3.9
175.11111	2.0
179.08514	5.5
181.10095	4.8
182.10809	3.2
183.11667	8.3
184.12280	1.7
185.09599	1.9
185.13280	4.3
187.11070	2.8
193.10136	4.1
194.10864	4.2
195.11690	4.5
196.12341	2.8
197.09625	2.4
197.13298	4.1
199.11171	2.4
199.14969	1.7
205.14134	1.9
206.10869	2.5
207.11670	7.0
208.12486	2.6
209.13210	6.5
211.14832	3.6
218.10980	1.8
219.11783	4.4
221.13235	5.9
223.11139	2.1
223.14833	5.0
225.16357	2.0
227.14366	2.5
231.11707	1.8
233.13239	2.9
233.15334	2.4
235.14867	5.4
237.16539	1.9
247.14799	3.3
249.16486	3.4
253.19427	2.3
260.15424	2.2
263.17990	2.2
265.19516	2.0
275.17892	2.8
282.19849	3.0
293.19107	3.2
303.17590	1.8
329.32233	3.2
331.12958	3.8
373.25296	7.4
391.15292	9.6
391.24466	100.0
391.36060	4.9
392.24341	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01874	8.2
55.05505	16.7
57.07071	20.0
62.06916	2.1
64.52473	2.5
67.05520	5.8
69.03426	3.9
69.07068	30.8
70.06603	2.4
71.08637	15.1
79.05497	2.2
81.03426	10.1
81.07053	11.3
83.05024	2.1
83.08629	23.2
84.08105	2.2
85.10191	8.9
89.06042	7.1
91.05479	2.7
93.07049	3.6
95.08602	6.2
97.10178	15.2
105.24207	2.2
107.08577	5.2
109.02893	28.9
109.06541	3.2
109.10143	8.2
111.11721	7.9
115.03926	8.2
121.06507	2.7
122.09662	2.2
123.11662	3.6
125.13267	3.6
127.03920	100.0
131.08493	2.3
133.08640	3.0
137.05994	3.1
138.06326	2.4
141.05447	7.4
149.02403	5.9
169.08640	5.8
183.10190	17.4
183.11612	2.8
194.07274	2.1
195.10214	7.2
195.12155	4.2
197.11755	4.9
209.11780	3.7
211.13275	5.2
223.13461	3.2
225.14819	3.4
237.14673	3.0
251.16629	3.5
253.17987	6.3
265.18008	5.1
279.19601	3.6
293.19223	3.1
321.24219	3.7
335.25946	3.0
391.23071	73.5
391.31812	34.5
392.24362	25.1
392.32361	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	392.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.7
69.03431	4.0
69.28933	19.1
70.06589	35.9
71.04971	5.5
79.05466	5.1
80.04993	3.5
81.07048	3.9
82.06590	3.6
84.04486	6.5
84.08141	34.5
86.09715	14.9
91.01873	3.3
95.08588	4.7
98.97591	13.5
116.07095	12.4
120.08096	15.2
120.34791	3.1
128.98651	4.6
136.07608	4.1
149.02325	27.8
150.02725	5.2
162.02979	14.2
182.11772	6.8
204.03400	4.5
219.01768	10.1
220.02690	6.8
222.04395	9.1
237.02899	12.2
247.11780	4.1
249.12523	3.6
266.03394	7.8
284.04309	5.8
293.12457	10.9
293.19751	3.9
294.16727	8.3
362.72800	3.9
374.19626	9.6
391.15598	4.3
391.23111	21.0
392.07068	100.0
392.16080	17.5
392.20471	34.7
392.24872	68.2
393.07361	7.2
393.22238	14.1
410.07648	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	392.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01875	1.1
55.05506	0.8
57.03443	1.6
61.02917	1.3
61.86025	0.4
63.02380	0.9
64.01883	0.3
65.03951	0.4
67.05495	0.6
68.99799	1.0
69.03062	0.6
69.03432	9.7
70.03780	0.4
70.06602	2.0
71.04981	1.4
72.08134	0.4
72.98458	0.5
73.02913	1.0
78.03442	0.4
79.00152	0.3
79.05493	0.4
80.05031	0.9
81.03419	7.1
81.07037	0.9
83.05001	0.4
84.08134	0.5
85.02907	15.9
85.06564	0.4
86.09677	0.4
87.00820	3.7
87.04470	0.8
90.03444	6.4
91.04247	0.7
91.05499	0.7
93.07071	0.6
94.06570	0.6
95.04969	1.1
95.08601	0.8
97.02892	4.8
97.06506	0.4
99.00014	4.2
99.04462	2.4
99.08088	0.7
99.87483	0.4
103.03933	1.0
105.01855	3.0
105.07050	0.3
107.08590	0.8
108.04498	0.6
109.02886	6.9
109.06512	0.5
115.03961	1.8
116.07118	2.2
117.01804	0.4
119.08569	0.5
120.08167	0.7
121.81467	0.3
122.09669	0.7
125.06042	0.4
126.01073	96.9
126.05512	2.4
127.01835	1.7
127.03915	14.2
127.47125	0.3
128.02663	1.1
129.01834	1.0
134.09610	0.4
135.07935	0.3
136.07593	0.6
136.11243	0.6
137.09668	0.8
144.02115	100.0
145.02480	2.5
145.04982	3.8
147.02902	0.8
149.02342	2.4
150.09129	0.8
151.03928	0.5
159.02855	1.7
162.12799	0.4
164.14308	0.4
167.07068	0.7
168.10213	0.6
174.12788	0.5
182.11784	1.2
186.03151	1.0
187.06055	1.1
189.03987	0.7
213.66116	0.4
227.34445	0.5
230.02023	0.5
231.04941	2.3
239.83871	0.4
249.16219	0.4
259.07965	0.4
262.17987	0.4
270.05228	0.9
278.17560	1.1
288.06445	0.5
292.19012	0.5
293.19589	0.6
294.17194	0.9
294.20615	4.5
306.07391	5.4
318.20584	0.4
330.07678	0.3
374.06332	1.4
374.10770	0.3
374.19528	1.3
374.23236	1.4
391.19186	2.3
391.23575	4.5
392.07477	10.6
392.20282	13.4
392.24255	15.4
393.07440	0.6
393.20386	0.8
393.24988	0.7
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
55.05520	5.5
67.05507	7.7
69.03429	4.2
69.07043	2.9
69.34940	3.0
69.35349	6.4
71.05005	5.4
77.03912	2.0
79.05495	16.6
81.07062	23.5
83.05003	9.6
83.08616	2.8
85.06530	3.0
91.05486	7.5
93.07047	40.1
95.04980	10.2
95.08598	19.3
97.06527	8.5
99.04467	13.3
105.07019	18.7
107.04964	3.6
107.08595	22.2
109.06518	22.1
111.08095	10.9
117.07044	2.7
119.08591	15.1
121.06508	38.7
121.10186	2.8
123.11674	2.7
125.05993	6.3
127.07574	5.1
129.07005	3.0
131.08591	4.2
133.10133	12.7
135.04424	5.4
135.08047	15.0
137.05983	3.1
139.07556	7.7
142.07751	1.8
143.07002	4.1
143.08607	7.2
145.10141	5.9
147.08063	5.0
147.11694	31.4
149.13248	2.3
153.09137	4.2
156.09377	1.9
157.10100	8.8
159.06555	3.8
161.13307	9.6
165.12767	7.1
171.10310	3.0
171.11659	12.4
173.09662	5.4
173.13246	2.2
175.11162	17.2
181.10144	2.9
189.12733	20.7
193.12263	16.0
194.12611	2.2
199.11171	18.9
207.13821	15.7
211.13335	5.9
217.12241	58.2
218.12589	3.6
235.13283	100.0
236.13611	5.6
253.14346	77.2
254.14735	3.2
271.15372	3.8
321.13300	3.4
339.14371	3.2
357.15558	3.7
392.22269	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41504	0.9
53.03942	3.7
54.00939	0.8
54.49214	0.8
55.01875	7.1
55.05511	3.9
57.03440	4.4
61.02938	4.6
61.84075	0.7
63.24974	0.8
65.03951	4.1
67.05505	100.0
68.05829	2.6
68.99802	1.9
69.03432	28.6
69.07068	1.4
69.33878	3.8
70.03761	2.0
71.04995	3.4
73.02908	4.1
76.21760	0.8
79.05475	4.5
80.05019	1.0
80.27255	0.7
81.03419	20.0
81.07057	12.4
83.01387	1.0
83.04982	1.1
85.02905	77.0
86.03260	1.5
87.00833	31.6
91.03966	2.0
91.05489	2.2
93.07016	2.2
94.19539	0.9
95.04937	1.0
95.08600	1.2
97.02895	28.1
97.06541	1.1
98.03207	0.9
99.04459	13.2
103.03918	1.0
105.01868	55.9
105.07047	2.4
106.02223	0.9
107.08606	3.2
108.04465	4.4
109.02879	24.2
109.10157	62.8
110.10491	1.9
111.08079	1.2
115.03963	1.8
117.01875	2.3
119.08610	1.4
120.08116	1.3
120.15006	1.0
121.06535	1.1
121.10207	1.4
126.05539	1.7
127.03915	59.2
128.04279	1.3
129.01852	2.6
131.08554	1.0
135.08076	1.5
136.11221	2.0
137.06027	1.3
138.12773	1.2
145.04964	33.7
146.05394	1.5
147.02945	2.0
150.02663	0.9
159.02885	12.5
159.08009	1.1
161.09555	1.0
171.02907	0.9
173.09659	0.9
177.03984	1.4
182.11784	1.5
189.03975	2.7
201.18195	0.8
205.14149	2.0
206.14516	2.5
213.03955	2.7
213.67061	0.9
217.12299	1.9
231.04977	17.8
232.05196	1.1
235.13332	1.3
248.07628	2.2
249.06001	6.1
278.13730	1.0
294.20779	1.1
332.11572	1.0
392.23343	34.1
393.24670	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	0.8
55.05508	1.7
59.07550	0.6
61.02922	0.6
69.03442	3.4
69.07065	0.7
69.29408	1.5
69.29823	1.2
70.06602	0.7
71.04993	0.5
76.30592	0.4
79.05487	0.6
80.05005	1.8
81.03408	2.3
81.07065	0.9
85.02904	6.3
90.03441	0.9
91.05485	1.1
93.07050	0.9
94.06551	0.6
95.04978	4.9
97.02888	2.0
97.74946	0.4
98.22678	1.1
99.04433	0.9
105.04491	0.6
105.07033	0.6
107.04976	2.2
109.02869	1.0
111.08076	0.9
112.80579	0.5
114.54030	0.5
117.00989	0.4
119.72778	0.4
120.04327	0.5
120.08111	0.9
122.09597	0.9
126.01065	12.9
127.01733	0.6
127.03941	2.3
134.09668	1.0
136.05136	0.6
136.11237	0.9
138.09126	2.8
139.00685	0.5
140.10713	1.1
144.02107	12.7
144.03241	0.6
145.04921	0.9
148.11168	1.1
150.09090	0.5
151.07538	100.0
152.07930	3.0
156.10239	2.1
159.02887	0.6
162.12891	0.6
165.09123	2.0
167.07129	0.5
168.10188	0.5
177.09125	2.4
182.11763	0.5
184.09706	5.4
188.14360	0.7
190.12285	1.2
195.10155	15.7
195.11964	0.9
196.10397	0.7
197.48538	0.5
208.13344	3.3
213.11253	1.2
242.41736	0.4
248.16431	4.7
254.13786	0.6
255.20740	0.4
262.18036	1.1
266.17487	1.8
268.46677	0.5
276.19586	0.8
294.17001	28.2
294.20560	7.1
295.17224	1.5
295.20627	0.7
306.17197	0.5
346.20169	0.8
364.20941	0.6
392.07355	2.0
392.20642	25.6
392.24200	6.4
393.20831	9.7
393.25250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01867	0.7
55.05506	0.7
56.05038	0.9
56.52914	0.5
57.03434	1.6
65.96596	0.5
67.05508	1.3
68.05047	0.7
69.03424	1.3
70.06591	3.3
71.04996	0.8
79.05492	1.4
80.05003	4.1
81.07056	2.9
82.06583	1.4
84.08153	1.7
85.02898	1.5
85.34803	0.5
91.05494	1.6
92.35683	0.5
93.07048	4.5
94.06575	4.2
95.04968	11.0
95.08601	1.0
96.08147	1.7
97.02863	2.3
98.06058	2.4
99.04458	1.1
105.07026	1.4
106.06564	0.9
107.07346	0.6
107.08590	0.7
108.08151	1.0
110.09705	0.7
111.08085	0.6
113.05988	0.8
116.07091	6.0
117.07057	1.4
119.08595	0.7
120.08125	5.6
121.06506	0.7
122.09669	2.9
124.07601	0.8
125.06004	0.6
127.03892	0.9
131.08582	1.0
132.08096	1.5
134.09639	4.8
135.10429	0.5
136.11150	0.9
137.05939	0.8
138.09135	4.6
145.04976	0.7
145.10126	1.7
146.09647	1.4
148.07579	0.8
148.11200	4.4
149.11987	0.5
150.09111	2.7
150.12813	0.7
152.10715	4.5
155.08583	0.5
156.10220	2.9
157.10353	0.5
160.11218	1.0
161.12067	0.6
162.09154	0.8
162.12784	3.1
164.10712	0.5
172.11183	2.3
173.09714	0.8
173.11800	0.5
174.12737	0.5
178.12241	0.6
180.13858	1.1
182.11790	0.5
184.09683	6.0
188.10741	0.5
188.14345	1.5
190.12268	5.2
192.13858	4.4
206.15372	1.0
208.13309	5.0
210.14934	0.6
213.78618	0.5
216.13905	0.5
220.13310	0.6
230.15433	2.0
234.11301	1.1
234.15030	0.6
235.11966	1.5
236.12759	3.3
236.16505	2.0
238.14325	5.1
238.34201	0.5
241.44647	0.4
248.12892	0.9
248.16481	5.7
266.17535	2.1
276.15988	6.4
276.19577	7.3
294.17010	100.0
295.17401	6.8
306.17288	0.6
312.21826	2.6
314.96274	0.5
346.20016	0.9
348.21689	1.3
364.21414	0.7
374.19601	4.9
392.20618	43.1
392.24500	7.2
393.17007	1.6
393.21259	3.6
393.25369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2071
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
53.35332	0.8
55.01869	2.1
55.05520	4.3
67.05508	2.1
69.03429	3.7
69.07052	2.6
69.73428	2.5
69.73778	1.6
70.06578	2.1
71.04984	1.8
78.79680	0.9
79.05518	1.0
80.05022	5.9
81.03405	2.4
81.07045	2.7
83.08613	2.1
85.02911	8.3
90.03434	1.5
91.05474	3.2
93.07026	4.2
94.06551	3.8
95.04415	1.2
95.04973	16.4
96.08118	1.3
97.02897	1.9
99.04414	1.0
105.06984	1.2
107.04918	2.3
109.02843	1.6
109.06485	1.4
111.04452	0.9
111.08049	1.8
115.03915	1.0
120.08089	3.2
121.06464	0.9
122.09685	2.2
126.00211	1.7
126.01072	21.8
127.03896	3.0
128.06160	0.9
131.04903	0.9
133.63904	1.0
134.09598	1.1
136.11182	1.2
138.09140	12.5
140.10716	4.5
144.01024	1.5
144.02116	21.5
145.04959	2.2
148.07504	1.3
148.11217	2.2
149.06004	1.2
150.09134	2.3
151.07547	99.7
152.07861	3.6
156.10196	7.8
162.09154	1.5
162.12758	1.2
163.07573	1.1
165.09094	1.9
166.08678	0.9
167.05461	0.8
167.07036	3.1
172.11070	1.0
177.09163	1.1
178.12180	1.6
180.13795	1.6
184.09705	20.4
188.14299	2.8
190.12292	4.3
193.64580	1.0
195.10175	16.9
196.10524	1.5
197.81310	1.0
204.13962	1.0
206.15282	1.8
208.13345	12.1
213.11192	5.0
230.15421	0.9
248.12740	1.4
248.13857	1.0
248.16458	12.4
262.18042	3.4
266.17480	6.1
276.16003	1.2
276.19275	1.0
294.17044	100.0
294.20438	12.6
295.17368	6.9
306.07233	1.1
346.19977	3.1
364.21133	3.7
392.07233	3.2
392.20477	94.8
392.24054	7.2
393.16092	1.7
393.20868	20.1
393.25412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05499	0.6
65.58730	0.3
66.24409	0.3
67.05499	0.5
69.03426	6.2
69.34412	1.2
69.34818	0.7
70.06593	3.3
71.04985	4.7
79.05479	0.8
80.05012	1.1
81.07050	1.0
83.04942	0.6
84.08142	0.6
85.06551	0.4
91.05439	0.3
93.07029	1.2
94.06567	0.7
95.08614	1.5
96.08126	1.2
97.06529	0.3
99.04456	2.5
102.70806	0.3
105.07034	1.0
106.78260	0.3
107.08590	0.8
109.10179	0.5
110.09677	0.9
110.75534	0.3
111.08078	5.4
119.08592	1.1
119.58787	0.3
121.10127	0.5
122.09669	2.6
124.07585	0.4
124.11197	0.4
125.05973	0.7
126.09014	0.4
128.07060	0.6
131.08485	0.3
133.10144	0.5
135.08002	0.5
136.11214	1.2
139.07533	4.9
145.10071	0.4
149.09607	0.5
150.09122	2.9
152.10713	0.9
154.12244	0.6
159.11694	0.4
164.73105	0.3
168.10251	1.5
177.12675	0.4
182.11774	4.0
184.13333	0.4
186.29012	0.3
190.24341	0.3
195.13805	1.8
198.11229	0.8
223.13246	2.3
234.14938	0.5
262.18079	0.6
318.20618	2.1
364.24805	0.4
374.23447	0.6
392.24277	100.0
393.24609	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	392.2433
Annotation	N-Oxytuberostemonine
Peak:m/z	Relative Intensity
55.01866	0.6
55.05511	0.6
63.91452	0.2
67.05483	0.8
69.03432	6.0
69.07052	0.3
70.06599	2.9
71.04998	4.2
79.05500	0.8
80.05015	1.0
81.07034	1.2
81.12089	0.2
82.06573	0.3
83.04955	0.4
83.07372	0.2
84.08142	1.1
85.06544	0.3
86.06062	0.2
91.05487	0.5
93.07043	0.9
94.06562	0.6
95.04958	0.4
95.08624	1.0
96.08130	0.9
97.06553	0.4
99.04458	2.6
105.07034	0.7
106.06544	0.3
107.08587	1.0
108.08112	0.4
109.10180	0.3
110.09693	0.7
111.08091	5.1
112.07645	0.3
119.08566	1.1
120.08136	0.2
121.10149	0.4
122.09670	2.2
124.07597	0.5
124.11253	0.4
125.06015	1.0
125.09611	0.3
128.07080	0.7
131.08586	0.3
133.10104	0.5
134.09622	0.5
135.08081	0.3
136.11227	1.7
139.07536	4.9
140.07899	0.3
145.10135	0.4
147.11771	0.3
148.11223	0.5
149.09634	0.5
150.09149	2.3
152.10733	1.2
154.12242	0.6
162.12730	0.5
163.83864	0.2
164.10730	0.2
164.14377	0.3
168.10223	1.9
176.10706	0.3
178.15860	0.2
180.10153	0.4
182.11774	5.2
183.78110	0.2
184.13356	0.7
188.14424	0.2
190.15779	0.3
195.12187	0.4
195.13766	1.9
198.11240	1.0
223.13309	2.0
234.14882	0.5
252.16022	0.5
262.18088	0.3
318.20544	1.4
374.23203	0.7
392.24295	100.0
393.24609	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	392.243
Annotation	Pentagydine
Peak:m/z	Relative Intensity
50.27022	0.5
55.05501	0.5
56.05037	0.8
67.05495	1.6
68.12464	0.5
69.03446	0.8
69.38654	2.4
69.45177	0.4
70.06585	1.2
78.22462	0.5
79.05509	3.1
79.20660	0.5
80.74913	0.5
81.07056	11.2
82.06577	0.7
84.08151	2.3
91.05486	0.8
93.07045	3.4
95.08602	1.7
96.08121	2.2
97.08905	1.7
104.54456	0.5
107.55674	0.5
108.08090	0.5
109.06523	2.5
109.10126	0.8
110.09671	3.1
121.10104	1.4
122.09657	1.5
123.10498	0.5
134.09631	0.9
135.10411	0.6
136.11205	10.7
137.05969	7.7
137.11967	0.7
138.12773	64.2
139.13153	1.2
150.12772	7.1
151.13580	4.8
162.12790	1.5
163.13480	0.6
164.14355	18.9
166.59477	0.5
176.14444	0.6
182.15416	2.8
192.17497	0.8
229.67108	0.5
236.16426	1.8
262.18008	2.7
280.18945	0.9
300.19547	4.0
346.23871	0.6
356.22168	0.8
374.23254	19.4
375.23813	1.3
392.24286	100.0
393.24612	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	392.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05502	0.5
67.05489	0.5
69.03069	0.3
69.03427	5.0
69.49564	0.4
69.49968	0.6
70.06590	2.9
71.04990	3.4
78.42686	0.2
79.05483	0.9
80.05009	0.8
81.07059	1.1
82.06631	0.2
84.08133	0.8
85.06558	0.3
91.05503	0.2
93.07026	0.9
94.06553	0.6
95.05027	0.2
95.08583	0.8
96.08123	0.8
97.06513	0.4
99.04447	2.0
100.07629	0.3
101.05962	0.2
105.07063	1.1
107.08585	0.7
108.08091	0.2
109.10159	0.3
110.09686	0.8
111.08074	3.8
111.54897	0.2
112.08353	0.3
119.08540	1.0
120.93151	0.2
121.10117	0.5
122.09672	1.9
123.08072	0.4
124.07597	0.4
125.05992	0.8
128.07082	0.4
133.10152	0.3
134.09659	0.6
135.08047	0.3
136.11229	1.7
139.07538	4.1
146.71869	0.2
147.11620	0.4
148.11183	0.2
149.09584	0.6
150.09146	1.6
152.10692	0.7
154.12282	0.3
162.09079	0.3
162.12779	0.4
164.14352	0.3
168.10201	1.6
177.12737	0.6
180.10152	0.6
181.10779	0.2
182.11771	4.0
184.13394	0.5
192.13841	0.2
195.13852	1.9
198.11211	0.6
221.11676	0.4
223.13310	1.7
234.15010	0.3
236.16443	0.2
262.18011	0.3
264.19525	0.2
292.18921	0.3
296.76834	0.3
318.20615	1.4
340.18961	0.2
374.23148	0.4
392.24265	100.0
393.24615	7.7
393.29767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2433
Annotation	Parvistemonine
Peak:m/z	Relative Intensity
55.01803	0.7
55.02055	0.4
55.05468	0.3
57.03370	0.3
64.64912	0.2
67.05413	1.4
69.03337	2.3
69.37180	1.0
70.06514	0.4
71.04893	1.1
79.05385	0.7
79.12771	0.2
80.04916	0.7
81.03348	0.5
81.06947	1.2
82.06512	0.3
85.02807	1.7
85.06498	0.2
87.00752	0.3
87.04363	0.2
90.03335	0.8
91.05427	0.2
93.06954	0.6
94.06476	1.1
94.06992	0.3
95.07279	0.3
95.08536	0.6
96.08068	0.5
97.02795	0.4
97.06437	0.8
98.99916	0.4
99.04417	0.3
99.07968	0.2
105.06954	0.4
107.08549	0.6
108.08045	0.5
109.02769	0.9
109.10073	0.5
111.07983	0.3
115.03890	0.4
116.07031	0.4
119.08498	0.4
120.08031	0.6
122.09674	3.2
122.61379	0.2
125.05919	0.6
126.01078	8.2
127.03905	1.5
127.65033	0.2
128.15347	0.2
134.09642	1.5
136.07489	0.8
136.11105	0.7
144.02119	9.3
145.02417	0.4
145.04903	0.4
145.10011	0.4
146.09584	0.4
148.11217	4.8
150.09134	1.7
150.12779	0.4
154.12195	0.3
156.13829	0.5
158.09526	0.2
159.02866	0.4
160.11147	0.3
162.12819	1.1
166.12248	0.5
168.10097	1.0
170.15311	0.5
174.12718	0.3
180.13716	0.6
182.15385	3.0
187.77676	0.2
202.12207	0.4
206.11710	0.7
206.15443	1.1
207.15909	0.3
208.16920	0.7
220.13356	0.3
220.16965	4.6
221.17555	0.5
224.16431	0.7
231.05081	0.2
232.13420	0.3
234.14832	0.5
248.20059	0.7
262.18051	0.8
266.17764	0.3
266.21121	1.6
274.17911	0.3
276.19492	1.1
280.19016	0.4
294.20645	100.0
295.20975	7.0
306.07602	0.3
318.20428	0.3
329.42517	0.2
374.19327	0.5
374.23370	0.6
392.07513	1.3
392.20309	2.6
392.24435	30.3
393.20285	0.3
393.24756	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	47.7
62.85680	10.8
67.68268	10.2
69.03442	20.7
70.06588	13.1
71.05003	15.8
71.45205	11.6
73.31304	10.0
84.08183	12.3
84.87717	11.1
84.96040	13.7
98.97594	80.2
99.04457	23.7
110.97585	13.4
112.89603	29.2
116.98615	43.4
127.03905	21.4
127.35406	10.7
128.98634	17.3
143.00146	17.4
146.99629	15.7
152.44283	11.2
155.00151	21.9
158.99657	28.5
161.01340	13.7
168.10236	12.8
170.99690	13.1
173.01270	28.3
177.00684	23.5
180.56439	11.3
189.00771	13.1
191.02278	40.9
219.01691	18.1
231.01756	20.7
237.02817	18.3
249.02901	29.8
251.04398	21.1
267.03885	13.2
273.02811	47.8
291.03897	13.8
308.73907	11.1
332.13385	11.2
348.57544	11.7
375.05951	35.0
392.24210	100.0
392.98688	12.7
393.06226	95.7
393.10992	15.9
393.24530	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12359	0.6
55.53637	0.5
56.96566	12.5
69.03436	2.6
70.98134	1.0
71.05003	0.9
79.67977	0.5
81.03419	0.7
84.96027	4.3
85.02905	2.1
87.19465	0.6
91.59073	0.5
95.80696	0.5
97.02878	1.5
98.97587	100.0
99.04455	1.9
99.97890	0.6
110.97577	4.7
111.53736	0.5
112.99135	1.0
115.03947	0.8
116.98625	29.8
124.99171	1.3
125.06036	0.8
127.00676	0.6
127.03916	1.5
128.98607	4.8
131.00192	0.7
134.99652	6.6
135.06517	0.6
140.98589	0.9
143.00151	5.1
145.05003	1.1
146.99654	1.8
149.02339	0.9
152.98610	1.6
153.05449	3.6
154.05789	1.8
155.00163	1.1
158.99660	25.2
161.01245	3.1
162.99136	0.7
170.99695	2.7
171.03294	1.2
173.01253	3.6
174.59541	0.6
175.02802	0.6
177.00714	17.7
179.02374	0.6
182.11867	0.8
185.01114	0.8
187.02774	0.9
189.00681	5.2
189.01923	0.5
189.04459	1.6
190.95418	0.7
191.02298	3.5
195.01785	0.7
195.06522	1.9
196.06879	2.4
201.00748	1.0
203.02213	1.0
205.03880	0.9
207.01808	4.6
213.00702	2.6
213.04349	1.9
219.01773	7.9
231.01782	18.5
231.05396	1.1
232.02237	1.3
234.03003	0.6
237.02803	5.8
249.02846	12.9
261.06381	3.0
267.03885	1.6
273.02823	42.1
274.03043	1.4
274.97574	1.4
279.07559	17.8
291.01025	1.1
291.03918	8.8
297.08621	2.3
309.04852	0.8
327.04065	0.8
329.05554	2.5
333.04816	2.1
351.05960	3.1
375.05725	2.9
375.09738	3.0
381.69247	0.6
392.24268	8.3
393.10657	11.5
393.24643	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05525	1.1
56.96564	9.9
67.05498	1.7
68.05814	0.7
69.03427	3.3
70.06586	2.7
71.04996	2.4
71.46447	0.7
79.05495	3.2
80.05036	1.0
81.07066	5.9
83.04994	0.8
84.08148	3.3
88.57093	0.6
91.05476	2.8
93.07046	2.6
94.06580	0.7
95.04938	1.8
95.08601	3.6
96.08151	2.1
97.08929	1.1
98.97578	1.8
99.04455	1.6
101.51340	0.6
105.07067	2.0
106.07500	0.7
107.08620	1.9
108.08134	1.1
109.06510	2.4
110.09683	2.4
111.08092	2.4
116.98662	1.3
118.18374	0.7
121.10148	1.0
122.09691	1.8
123.04433	3.0
124.11269	1.0
129.02235	0.9
134.09689	0.8
134.99644	1.1
135.08107	0.9
136.11217	6.8
137.06003	5.7
137.11510	0.8
138.06332	1.4
138.12779	26.4
139.07605	2.2
139.13147	5.5
147.03319	1.2
148.11186	0.9
150.09155	1.3
150.12791	3.0
151.00717	0.8
151.13544	2.3
152.10681	1.4
152.41356	0.8
162.12762	0.8
163.04333	1.1
164.14331	8.7
165.14751	1.8
168.10240	1.0
171.03352	1.4
175.02740	0.9
176.14435	0.7
176.32906	0.8
181.05370	1.1
182.11714	3.9
182.15498	1.0
183.12122	2.0
184.13443	0.7
187.07578	2.5
189.04381	1.0
195.13898	1.4
207.03384	1.1
210.14886	1.0
220.13165	0.8
231.62825	0.7
236.16426	0.9
245.08511	5.4
262.17862	1.6
263.09531	5.2
263.18295	0.8
265.07504	4.8
281.10666	4.7
283.08533	1.4
289.10638	1.2
293.12369	1.2
293.19400	0.9
294.20337	0.9
299.11728	2.3
300.19662	2.9
301.19916	1.2
307.08490	2.8
318.20654	1.8
325.09610	2.8
349.12704	1.5
371.39066	0.7
374.23294	11.0
375.23532	5.4
392.24222	100.0
393.09857	7.1
393.24634	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	29.2
57.03434	1.2
58.52803	0.6
69.03432	5.6
70.06593	0.9
71.05003	1.2
72.01811	0.6
81.03420	2.9
82.39384	0.6
84.08144	1.1
84.96034	7.9
85.02898	2.0
87.04461	1.4
91.05498	0.7
97.02891	2.3
97.96787	0.8
98.24443	0.7
98.97585	93.5
99.04467	4.8
102.97060	0.7
109.02901	0.9
110.97571	15.0
112.99133	1.8
115.03956	1.1
116.07088	0.8
116.98626	31.3
117.05491	1.4
120.08105	2.2
124.99120	6.0
127.03963	1.8
128.98608	14.6
131.00174	1.2
134.99649	5.4
140.98615	4.2
143.00174	15.6
144.98079	2.7
145.01799	0.7
145.04962	2.4
146.99631	5.9
147.04411	1.1
152.98593	8.8
155.00185	0.9
157.98894	1.4
158.99648	18.9
159.03267	1.1
161.01224	11.9
162.99164	1.4
163.06068	1.0
165.00581	0.9
170.99649	14.4
171.03316	1.3
173.01268	0.9
177.00700	13.2
177.04294	1.1
179.02235	1.5
179.07016	0.7
187.02777	1.0
189.00711	22.5
189.04379	0.9
195.01791	1.4
200.06142	0.7
201.00694	4.0
201.04401	2.1
207.01775	19.1
207.03703	1.1
213.04343	1.8
215.09169	0.9
218.99609	1.3
219.01767	25.2
219.05251	1.5
225.02826	1.1
231.01726	9.7
237.02814	34.8
249.02768	3.8
255.03906	0.8
261.06439	12.9
261.08981	1.0
262.97446	0.8
273.02826	15.8
274.97385	0.7
279.07510	100.0
280.07892	3.6
291.03864	3.9
297.08563	13.8
298.08899	0.8
302.09125	2.2
333.04956	1.1
333.08823	0.8
375.09610	21.2
376.10004	1.1
392.24078	2.3
393.10641	57.6
393.24774	5.3
394.10977	3.1
394.18146	1.8
394.22061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09396	0.9
52.09629	0.8
56.05031	4.6
56.63767	0.7
67.05499	1.1
69.04541	3.4
69.07050	1.3
71.02546	1.1
84.08141	100.0
85.08482	2.3
86.09707	9.7
94.06557	2.1
95.02445	11.1
106.04063	1.5
107.02440	3.5
108.05647	1.0
113.03501	9.1
123.09143	1.0
129.07005	0.8
132.10266	1.3
134.03522	1.0
136.05075	5.7
148.05019	1.0
149.07025	1.4
151.08662	26.4
161.04486	1.0
162.02986	74.0
163.03325	1.7
166.91179	0.7
179.05669	3.4
180.04047	32.6
180.05635	1.8
181.04427	1.3
183.73993	0.9
195.07634	10.0
201.11319	2.3
202.09753	2.7
206.68425	0.8
217.10880	0.8
229.10823	3.3
245.10368	8.9
247.11900	37.8
248.12183	1.3
256.05197	0.8
263.11365	1.9
280.14050	6.0
293.12442	59.1
294.12701	4.2
330.19144	1.4
349.14960	0.8
359.17142	1.2
376.15344	1.6
376.19809	16.5
393.22415	59.2
394.22586	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	393.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98354	0.3
55.05513	4.3
57.03436	4.2
57.07079	30.8
59.71333	0.3
65.03947	0.5
67.05510	10.1
69.07070	6.9
70.63955	0.6
71.08636	23.5
79.05482	1.1
80.97404	0.4
81.07061	14.1
82.07392	0.6
83.08627	10.1
85.06541	0.6
85.10188	13.0
86.10551	0.4
87.69498	0.4
89.06039	2.1
93.07055	0.5
95.08611	20.2
96.08921	0.5
97.10173	5.2
98.98472	54.9
99.08067	0.4
99.11729	0.7
109.10162	10.1
110.10504	0.4
111.11704	1.5
111.43125	0.3
113.13255	0.6
116.99484	1.2
117.00231	0.3
123.11724	4.9
125.13268	1.3
133.08600	0.8
137.13263	2.2
139.14832	0.4
140.01065	0.7
151.14803	1.2
155.01047	100.0
156.01341	1.2
165.16403	0.5
195.12234	2.0
196.03650	1.1
221.22701	1.0
239.23711	10.4
239.26161	0.5
240.23985	0.6
319.19376	0.5
337.20319	0.6
377.32611	0.8
377.64417	0.3
393.24368	4.9
410.70432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98354	0.3
55.05513	4.3
57.03436	4.2
57.07079	30.8
59.71333	0.3
65.03947	0.5
67.05510	10.1
69.07070	6.9
70.63955	0.6
71.08636	23.5
79.05482	1.1
80.97404	0.4
81.07061	14.1
82.07392	0.6
83.08627	10.1
85.06541	0.6
85.10188	13.0
86.10551	0.4
87.69498	0.4
89.06039	2.1
93.07055	0.5
95.08611	20.2
96.08921	0.5
97.10173	5.2
98.98472	54.9
99.08067	0.4
99.11729	0.7
109.10162	10.1
110.10504	0.4
111.11704	1.5
111.43125	0.3
113.13255	0.6
116.99484	1.2
117.00231	0.3
123.11724	4.9
125.13268	1.3
133.08600	0.8
137.13263	2.2
139.14832	0.4
140.01065	0.7
151.14803	1.2
155.01047	100.0
156.01341	1.2
165.16403	0.5
195.12234	2.0
196.03650	1.1
221.22701	1.0
239.23711	10.4
239.26161	0.5
240.23985	0.6
319.19376	0.5
337.20319	0.6
377.32611	0.8
377.64417	0.3
393.24368	4.9
410.70432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22588	0.2
57.07077	8.2
58.07415	2.1
63.66596	0.2
67.11703	0.2
69.76300	0.4
80.94884	0.2
102.09159	0.3
112.89677	0.2
138.77167	0.3
149.05971	0.4
160.44571	0.2
207.11336	0.9
208.11610	1.2
223.48779	0.2
224.14015	0.8
225.14265	0.7
269.06274	0.2
308.19559	1.1
309.19995	4.3
375.24707	4.6
376.25763	0.5
393.26083	100.0
394.26453	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46883	0.4
69.46480	1.2
77.06851	0.4
78.02532	0.3
80.94855	0.5
112.07480	0.5
155.01164	0.4
179.51561	0.4
263.67386	0.4
351.18628	0.5
352.18884	1.5
357.20117	0.9
370.19681	2.2
375.20245	0.5
375.25043	0.4
376.25650	0.5
393.26089	100.0
394.26440	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07040	1.0
65.03403	0.7
66.93710	0.6
67.05518	1.3
69.46696	3.3
81.07036	1.5
84.68013	0.8
93.07069	1.6
95.08614	1.7
109.10159	2.2
121.02876	1.2
131.08572	0.8
134.13835	0.8
159.11652	0.8
160.12041	0.7
240.22772	0.7
278.17422	0.8
296.18719	1.5
310.51428	0.8
393.26111	100.0
394.21979	2.1
394.26456	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07096	0.9
69.44304	1.7
69.44695	1.4
81.07060	1.0
84.08089	0.7
91.05601	0.6
98.22762	1.4
138.12917	0.7
139.07571	0.9
145.44769	0.6
159.06804	0.8
179.42854	0.6
232.99489	0.6
293.12296	0.8
351.18506	1.4
370.25900	0.8
376.25977	1.8
393.26108	100.0
394.26508	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.05515	20.9
57.07084	19.0
59.42952	3.2
65.03941	6.1
67.05508	36.2
69.03407	4.8
69.07073	18.0
69.43935	16.9
71.08611	7.8
79.05497	31.8
81.07058	62.4
83.08585	6.8
85.10173	3.9
89.06051	5.2
91.05477	62.4
93.07047	82.9
95.04966	51.9
95.08607	51.5
97.06532	7.5
103.05459	5.0
105.04524	8.6
105.07032	100.0
107.08596	59.9
109.06508	14.9
109.10180	26.1
112.99971	4.6
117.07039	27.3
119.08581	72.1
121.06488	16.9
121.10155	37.1
123.08035	7.1
123.11700	6.4
128.06232	8.0
128.56277	3.6
129.06999	18.2
130.07779	10.3
131.08580	42.3
133.10129	50.4
135.08070	4.5
135.11699	14.1
141.06961	10.2
142.07756	23.3
143.08582	39.3
144.09325	7.8
145.10136	66.8
147.11703	22.4
155.08537	13.0
156.09357	12.6
157.10110	43.9
158.10847	6.2
159.08005	4.9
159.11726	27.6
161.09618	12.5
161.13237	5.3
167.08528	9.2
169.02583	5.8
169.10173	19.5
170.10951	5.9
171.11650	21.7
172.12486	6.0
173.13229	12.6
175.14825	8.3
181.10109	6.1
182.10829	7.8
183.11665	15.1
185.13263	8.9
187.11183	5.3
187.14696	8.9
193.10109	4.7
195.11809	11.7
197.13245	11.4
199.14877	9.0
207.11655	5.3
209.13251	9.2
211.14806	8.7
223.14728	4.8
233.13277	4.1
263.33838	3.7
281.20956	4.0
296.18314	4.9
377.32480	5.1
394.22308	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	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.1
68.43299	1.1
69.03419	4.6
70.06588	1.9
73.91447	1.1
79.05482	2.5
81.03420	1.6
84.08126	1.6
84.62457	1.3
85.02901	14.3
91.05494	10.1
96.60316	1.3
97.02887	3.7
103.05447	1.3
107.04956	4.4
119.01915	1.3
119.04946	37.3
122.03654	2.4
127.03928	3.1
135.04411	3.6
137.05972	100.0
138.06308	4.1
145.04979	2.8
147.04404	72.7
148.04794	2.5
149.05984	2.0
151.07571	4.3
152.34613	1.3
167.07088	6.3
179.07025	92.8
180.07335	4.4
197.08125	17.8
209.52725	1.7
235.92554	1.3
239.52338	1.3
259.87427	1.4
311.11105	2.6
334.16370	1.4
394.22272	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
56.96568	5.0
57.03431	1.1
61.02927	2.2
69.03429	3.5
69.22173	0.7
69.34046	1.3
69.34447	2.6
72.08158	1.9
73.02920	0.9
81.03403	1.8
85.02914	10.9
91.05494	7.8
97.02900	3.3
98.97601	8.8
107.04948	0.9
110.97596	2.0
116.98631	2.7
119.04945	23.8
120.05254	1.0
122.03639	2.2
127.00732	0.9
127.03941	2.8
128.98573	1.9
135.04396	1.6
137.05980	100.0
138.06305	3.8
140.02254	0.8
143.00157	1.0
143.03786	1.0
145.01704	1.5
145.04953	2.0
146.99635	2.1
147.04411	52.1
148.04720	1.9
151.07555	3.3
155.00133	1.2
158.99658	1.8
163.02686	0.9
165.66310	0.7
166.07236	6.2
167.07077	1.3
172.94365	1.0
173.01266	1.6
177.00723	1.1
179.07030	62.1
180.07339	2.6
189.00659	1.1
191.02214	2.0
197.08105	22.4
198.08366	1.2
207.01744	0.8
209.06972	1.4
219.01759	2.0
237.02879	1.4
262.97537	1.1
273.02722	2.7
291.03882	2.8
321.99860	0.9
327.03873	1.8
331.00204	1.0
335.10089	3.6
343.00912	0.8
353.11191	2.0
371.00226	1.0
385.01199	1.0
389.01199	1.1
394.18051	2.1
394.22418	1.5
395.12717	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80143	0.6
55.01859	1.3
55.05504	0.9
56.05038	0.6
67.05502	0.9
69.03432	2.9
69.07062	3.1
69.50426	1.9
69.50841	1.3
70.06589	1.4
71.04998	0.9
74.09682	0.8
79.05499	2.5
80.05029	0.6
81.03427	0.8
81.07063	1.5
84.08153	1.7
85.02902	1.2
86.09718	2.3
91.05472	9.0
92.05799	0.8
93.07048	2.3
94.04178	0.9
94.06579	1.4
95.04970	1.7
95.08609	2.3
96.08149	1.1
99.04462	1.4
103.05468	3.9
105.01868	0.6
105.03410	1.4
105.07018	3.4
106.37375	0.6
107.04965	0.9
107.08603	1.4
109.06549	1.9
110.09690	0.9
111.08103	0.8
111.11736	1.1
115.05392	0.7
119.04945	12.2
119.05741	1.1
119.08598	1.2
120.08123	2.0
121.06522	1.1
122.03671	0.8
122.09683	2.5
123.08088	1.2
124.11244	0.6
127.03921	0.8
129.12749	1.4
131.04936	8.2
133.06508	1.8
133.10060	0.6
134.09697	1.3
136.11211	8.7
137.05968	17.4
137.06998	1.0
137.11557	1.5
139.07578	0.9
142.08627	1.1
147.04402	5.3
149.05943	1.1
150.09183	1.7
150.12779	0.8
151.07550	5.1
152.10780	0.9
156.10179	1.3
159.08055	0.7
160.11273	0.7
161.05991	6.6
162.06703	2.9
162.12799	1.1
163.07509	2.0
166.08586	0.7
168.10309	0.6
175.07555	4.5
178.95985	0.7
179.06995	6.5
182.11765	9.4
183.12132	0.7
187.07564	1.6
193.08699	1.0
201.12354	2.9
205.08614	3.0
220.51025	0.7
234.14963	0.7
235.09752	0.7
236.16495	1.6
256.44485	0.6
262.18091	1.7
279.10284	1.0
286.38385	0.6
291.10330	1.0
302.21130	1.0
309.11108	3.1
311.12915	1.6
320.22232	2.0
329.13904	0.9
341.13995	1.6
348.25336	1.0
376.24814	21.0
377.25220	1.5
393.24710	2.4
394.25638	100.0
395.21866	0.9
395.26227	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	6.4
53.04163	1.1
55.01878	9.5
55.05511	9.4
57.03437	5.8
57.07073	3.3
59.04995	1.4
61.02923	7.4
67.05513	3.1
68.99800	3.4
69.03065	2.7
69.03432	46.9
69.03805	2.6
69.07070	85.8
69.46008	3.5
70.07374	1.3
71.04652	1.6
71.04970	7.7
73.02919	8.7
79.05481	2.2
81.03421	30.2
81.07051	5.3
83.01337	1.5
83.04987	1.2
83.08623	2.2
85.02906	100.0
85.06538	6.1
85.62798	1.1
87.00835	44.0
87.04501	3.3
91.03950	2.2
91.05486	2.2
93.07047	5.0
95.00715	1.4
95.04961	2.1
95.08627	3.8
97.02896	38.0
97.06528	1.6
99.04465	14.0
105.01871	40.8
105.07027	4.4
107.08596	3.8
108.04478	2.9
109.02882	27.4
109.06513	2.1
109.10157	5.4
111.04452	3.1
111.08089	19.8
111.11721	24.6
115.03921	8.5
117.01883	3.3
119.08555	2.5
121.06558	1.9
121.10141	3.0
123.08047	1.6
123.11715	6.1
126.05564	1.8
127.03918	60.1
127.11227	7.7
128.35870	1.4
129.01836	5.4
129.12766	16.6
133.05000	1.8
133.10114	3.6
135.08052	1.3
135.11713	4.3
137.09605	3.1
139.07552	7.2
139.11188	5.6
141.12773	8.9
143.08563	2.7
145.04967	31.9
145.10133	2.5
147.02905	2.3
147.11696	2.3
149.09669	2.2
149.13309	1.3
151.11172	2.5
153.12730	2.1
159.02914	15.5
159.08031	2.5
159.11688	2.4
161.09613	3.7
163.11176	2.6
165.12762	1.7
169.12210	5.4
173.13347	1.4
177.03986	1.5
177.09201	2.6
177.12666	3.6
179.10704	5.4
179.44208	1.2
189.03915	2.2
191.14276	1.9
197.11710	1.5
201.03978	1.6
201.12772	5.5
213.03772	1.4
219.04953	1.7
219.13828	9.5
231.05006	14.3
232.17050	1.5
237.14775	9.1
240.93549	1.3
248.07649	1.5
249.06140	2.2
250.18028	2.0
255.15942	2.4
273.16821	2.7
278.17554	4.7
290.69012	1.3
296.18542	9.6
297.16965	4.2
305.13916	1.7
323.14929	23.0
324.15231	1.6
341.16055	4.2
359.17285	1.5
375.13727	1.2
394.18219	1.3
394.22278	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01870	6.2
55.05508	6.5
57.03438	6.1
57.26276	1.1
61.02922	4.9
67.05489	3.6
67.51198	1.3
68.99789	1.5
69.03429	33.7
69.06707	2.2
69.07065	28.5
71.04995	5.8
73.02927	6.7
79.05498	1.2
81.03416	23.4
81.07037	1.9
85.02902	100.0
86.03252	2.3
87.00827	44.0
91.05475	1.4
93.07059	1.6
94.06608	1.6
97.02895	35.3
99.04460	13.7
105.01863	83.5
105.07069	2.6
107.08577	1.5
108.04470	3.9
109.02877	28.8
111.11723	4.3
117.01852	4.0
117.07042	1.2
126.05473	1.8
127.03914	78.4
127.27118	1.1
127.28170	1.1
129.01773	2.8
134.09637	1.3
135.11740	1.2
145.04950	40.2
147.02887	2.6
147.11708	1.6
148.11232	1.5
150.09203	1.8
159.02873	14.1
164.14377	1.3
171.02933	1.2
177.03949	1.6
189.03970	3.7
192.13835	3.2
213.03928	2.6
215.84322	1.2
231.04988	26.1
232.17049	2.9
248.07697	2.3
249.06055	10.6
250.17975	3.0
278.17502	10.7
296.18561	13.2
376.21167	2.1
394.22131	24.0
394.26749	1.3
395.23776	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71857	1.6
51.20457	1.7
53.03938	4.5
54.60352	1.7
55.01858	5.9
55.05509	5.7
57.03426	7.7
61.02936	4.3
67.05505	2.5
67.81593	1.7
68.99787	2.9
69.03063	2.7
69.03426	37.3
69.07068	46.0
71.04980	5.0
73.02911	5.0
79.05470	2.2
81.03422	21.0
81.07062	2.9
85.02905	100.0
87.00832	47.7
91.03955	1.9
91.05476	3.0
93.07063	3.4
93.14780	1.5
94.06584	2.5
95.08604	4.3
97.02892	35.9
99.04437	14.0
105.01866	80.1
105.07022	2.2
106.93742	1.7
108.04501	3.1
109.02879	25.2
109.06490	2.6
111.11721	5.2
115.03905	3.6
123.08108	2.3
127.03911	70.1
128.14423	1.9
129.01839	2.6
137.05927	2.0
145.04947	43.2
146.09622	3.5
147.02919	2.6
153.12711	2.2
159.02841	13.2
162.09195	2.1
176.10591	2.2
176.14445	2.6
188.72498	1.6
189.03943	2.8
190.12300	2.9
192.13876	2.8
230.15437	2.4
231.05009	25.5
232.16963	4.0
249.06039	8.0
250.18031	2.5
277.06754	1.9
278.17490	10.1
296.18570	15.5
329.94632	2.2
334.16443	5.3
348.21494	3.0
360.82465	2.1
376.21234	39.2
377.21390	1.9
393.72260	1.8
394.21930	29.3
395.23853	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53069	0.8
52.66178	1.0
58.99851	1.4
59.05011	10.8
69.03434	100.0
70.03769	1.4
70.68323	1.9
77.00893	2.6
83.95570	1.2
84.08120	1.3
84.89635	1.3
86.41792	1.1
87.04472	24.7
93.07030	1.4
95.08613	1.3
101.06018	14.2
101.68153	1.2
105.05461	1.5
119.07066	8.9
134.38213	1.0
155.07037	22.8
173.08096	15.7
183.12022	1.3
187.09695	3.8
205.10733	12.1
215.11255	4.2
241.10728	1.8
243.14392	2.9
253.12944	2.6
259.11795	4.0
271.13922	3.2
282.51492	1.2
291.14432	3.9
335.20639	3.9
353.21893	8.1
371.22784	6.1
394.16187	2.1
394.25345	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	394.2227
Annotation	Pulchellamine G
Peak:m/z	Relative Intensity
51.34562	0.3
53.35727	0.3
55.05532	0.4
58.06614	0.4
60.70336	0.3
64.63938	0.3
64.78347	0.3
67.05523	1.7
69.03435	0.4
69.42156	0.7
69.42561	1.0
70.06625	0.6
71.05026	0.5
79.05526	1.1
80.05058	1.2
81.05830	0.4
81.07089	1.0
82.06588	1.9
83.07406	0.4
85.02930	0.4
85.06577	0.7
89.86237	0.4
91.05508	1.2
93.07052	1.9
94.06570	9.5
94.07143	0.5
95.04965	3.8
95.07397	0.3
95.08602	2.5
96.08166	1.5
98.06091	0.8
99.04480	0.4
105.07078	1.0
106.06596	0.5
107.07332	0.4
107.08614	0.6
108.08118	3.7
108.08717	0.3
109.06534	0.8
109.08929	0.6
110.09659	0.5
113.06043	0.5
115.03980	0.4
119.08616	0.5
120.08142	1.3
122.09666	5.8
123.04489	0.5
124.07655	1.0
124.11231	5.2
131.08620	0.7
132.08096	2.7
133.08923	0.9
133.10176	1.1
134.09659	5.2
136.07567	2.6
136.11241	0.7
137.06012	0.6
138.09128	0.8
146.06061	0.6
146.09683	2.0
147.10455	0.4
148.10037	0.6
148.11183	4.9
148.12175	0.4
150.09142	8.7
150.12756	1.6
151.09908	0.7
156.10262	0.5
160.07692	0.4
160.11275	0.6
162.12845	0.5
164.10855	0.5
164.14349	4.0
166.12349	0.9
174.12793	8.3
175.13278	0.5
176.14359	2.6
182.11832	1.0
184.09734	0.8
188.14391	0.9
189.09285	0.4
189.15155	1.4
190.12308	3.1
190.15952	2.4
191.13011	0.4
192.13832	15.1
193.14197	0.9
200.10710	0.5
201.24586	0.3
208.13326	1.4
208.16982	0.9
210.11293	0.7
214.15941	0.4
216.17596	0.4
218.11858	1.2
218.15433	0.7
222.11264	1.4
224.78419	0.3
232.16969	15.0
233.17389	1.0
236.12845	5.1
250.18040	20.7
251.18359	1.4
254.13968	1.0
260.16397	2.3
264.15811	0.5
272.16428	0.3
277.54413	0.3
278.17511	70.4
279.17847	4.0
290.17398	0.7
296.18567	69.5
297.18860	4.4
330.20685	2.1
348.21582	2.7
352.03125	0.3
376.20953	2.3
394.22156	100.0
395.22595	8.3
395.27075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15374	0.7
67.05485	2.6
69.03407	1.7
69.07050	1.9
69.36528	2.2
69.36942	2.0
72.06037	0.6
75.95780	0.7
79.05445	1.1
80.05000	1.3
81.03369	0.7
81.05778	0.7
81.07039	1.3
82.06558	2.3
85.02897	1.6
85.06496	1.2
85.66433	0.8
91.05477	1.6
92.05846	0.8
93.07022	2.4
94.06580	10.2
95.04953	3.7
95.08582	1.9
96.08121	1.2
98.22652	1.1
105.07013	1.4
108.08154	3.5
109.02888	1.0
109.06518	1.1
109.08891	0.8
113.05962	0.8
119.08469	0.9
120.08055	1.6
122.09676	4.4
123.04405	1.0
124.11245	5.6
129.12749	0.7
130.90427	0.7
131.08522	1.2
132.08073	2.5
133.08810	1.1
134.09666	5.9
136.07597	3.6
136.11162	1.7
138.09132	0.9
146.09612	1.0
148.11238	4.4
150.09158	8.5
150.12730	2.3
162.20837	0.8
164.14363	4.0
174.12827	4.3
182.11734	0.8
189.14998	0.8
190.12212	2.8
190.15837	1.3
191.12926	1.1
192.12157	1.0
192.13821	15.9
200.10614	0.9
208.16847	1.2
214.15938	0.9
218.11728	2.2
232.16992	12.8
236.12747	3.4
250.18025	25.4
251.18329	1.9
254.13885	1.1
260.16489	1.2
278.17514	37.7
279.17734	1.8
290.17322	1.6
296.18573	94.3
297.19037	5.6
348.21539	2.3
354.17508	0.8
376.20908	2.5
376.25061	1.2
394.22003	100.0
395.22549	6.9
408.52759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2588
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
55.01854	0.5
55.05508	0.7
56.05027	1.4
61.04937	0.4
67.05500	1.3
67.35825	0.4
68.05003	0.4
69.03429	0.9
69.07044	0.7
70.06601	1.8
79.05494	1.0
80.05008	0.7
81.05768	0.4
81.07047	2.5
82.02715	0.4
82.06569	1.1
83.07360	0.5
84.08130	1.1
91.05467	1.1
91.98972	0.4
93.07043	1.8
95.04986	0.4
95.07365	0.4
95.08596	3.1
96.08121	2.1
97.02898	0.7
97.06537	0.5
97.08900	1.2
98.09711	0.4
98.22622	0.8
104.29472	0.4
105.07032	0.9
107.08575	1.4
108.08141	0.9
109.06541	0.7
109.10159	1.0
110.09684	1.7
111.10497	0.4
117.07009	0.4
119.08565	1.2
120.08103	0.5
121.10137	0.9
122.09661	2.0
123.08065	0.4
123.10435	0.7
124.07554	0.4
124.11241	1.6
125.06010	1.1
128.78418	0.4
131.08534	0.5
133.10106	0.4
134.09639	0.6
134.62227	0.4
135.10548	0.5
135.11604	0.4
136.11209	8.2
137.12019	0.5
138.12793	2.2
141.07864	0.4
145.10112	0.7
148.11147	0.8
150.09120	1.2
150.12750	2.5
151.13541	1.4
159.11708	0.4
161.09760	0.4
162.12791	2.6
163.14734	0.5
164.14337	2.6
168.10181	0.9
174.12857	0.4
176.14290	0.8
178.15894	2.7
180.17448	6.5
182.11699	0.5
184.13284	0.6
190.15919	2.5
192.17496	1.4
193.18153	0.5
196.13335	0.7
202.15948	0.5
204.17467	2.1
206.19035	5.1
210.14917	0.5
218.15376	0.5
222.14899	0.5
234.14845	0.7
236.16443	2.6
248.16350	0.4
250.18027	1.1
254.17525	0.8
264.19580	1.1
274.17999	0.9
276.19516	1.7
278.21063	0.4
302.21100	7.7
302.24185	0.6
303.21408	0.8
348.25381	1.0
358.23666	0.8
376.24796	32.8
377.25085	3.6
394.25870	100.0
395.26215	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	394.259
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
53.40179	0.3
55.01876	0.9
55.05515	0.9
56.05051	0.4
56.55508	0.3
57.40078	0.3
67.05496	1.6
67.20953	0.3
69.03436	1.3
69.07040	0.4
69.44183	1.3
70.06592	1.6
71.04996	0.9
79.05501	0.9
80.05031	1.1
81.07056	1.3
82.06598	0.7
83.04987	0.3
84.08148	1.8
91.05482	0.3
93.07068	1.8
95.08608	2.8
95.73444	0.4
96.08132	1.4
97.06568	0.5
99.04472	1.3
105.07054	0.9
107.08606	1.8
108.08122	1.0
109.08907	0.9
109.60578	0.3
110.09679	0.8
111.08064	0.6
114.09181	1.0
119.08592	0.5
120.08120	0.3
121.10134	0.7
122.09660	2.9
124.07593	0.4
124.11243	0.7
125.05990	1.4
125.09651	0.3
126.09155	0.3
131.08652	0.4
132.08119	0.3
133.10167	0.7
134.09666	1.0
135.11678	0.7
136.11218	7.1
138.09167	0.5
139.07573	0.5
142.08649	2.8
143.08519	0.3
145.10092	0.7
147.11598	0.4
148.11192	1.1
150.09152	1.9
151.07712	0.3
152.10693	1.7
154.12247	0.7
160.11238	0.5
162.12772	1.4
164.10664	0.4
165.13869	0.3
166.12296	0.7
168.10182	1.1
176.14305	0.5
180.13777	0.3
182.11768	30.0
183.12083	2.1
184.13383	2.0
191.14471	0.3
194.11804	0.5
206.11957	0.4
216.13889	0.3
220.13365	0.5
234.14896	1.0
236.16469	1.3
244.17386	0.3
262.18124	1.0
270.18573	0.4
278.21207	0.3
294.20441	0.3
302.21033	1.4
320.22086	1.8
348.21680	2.8
348.25461	0.5
358.24072	0.5
376.24814	53.9
377.25140	5.7
394.25787	100.0
395.26215	11.5
398.12350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05513	0.8
55.65501	0.3
56.05036	1.5
67.05501	1.8
68.05067	0.2
69.03435	0.7
69.07061	0.7
69.73819	0.6
69.74205	0.6
70.06596	1.8
71.04996	0.5
72.08176	0.5
72.81110	0.3
79.05489	1.6
80.05010	0.7
81.07041	1.8
82.06582	0.9
84.08131	1.7
86.09709	0.3
87.04474	0.3
91.05476	1.0
91.32578	0.3
93.07040	2.1
95.07320	0.3
95.08606	2.6
96.08121	1.8
97.02894	0.8
97.06524	0.4
97.08916	0.9
98.09687	0.5
99.04469	0.5
105.07033	1.2
107.08619	1.3
108.08099	0.6
109.06512	0.4
109.10166	0.8
110.09681	1.6
111.04462	0.3
111.08105	0.3
111.10493	0.3
111.49509	0.3
112.11230	0.3
112.89445	0.3
119.08597	0.8
120.08053	0.6
121.06539	0.4
121.10147	1.1
122.09655	1.8
123.08066	0.4
123.10431	0.5
124.07591	0.5
124.11264	1.8
125.06015	0.9
126.12831	0.3
127.60481	0.3
130.84811	0.3
130.94696	0.2
131.08508	0.6
133.10143	0.8
134.09659	0.9
135.08000	0.4
136.11209	8.1
137.12067	0.7
138.09187	0.3
138.12810	1.9
139.07602	0.4
140.14389	0.3
145.10130	0.6
147.08025	0.3
147.11694	0.6
148.11218	0.6
149.11983	0.3
150.09161	1.2
150.12785	2.2
151.09534	0.3
151.13528	1.3
152.10670	0.5
159.11729	0.5
162.12773	2.0
163.14752	0.3
164.10776	0.3
164.14342	2.7
168.10243	0.9
171.11720	0.5
176.14357	0.8
178.15904	2.0
180.17464	5.4
182.11726	1.4
184.13371	0.8
190.15857	1.3
192.17477	1.3
196.13383	0.3
201.12317	0.7
204.17548	1.3
206.19063	4.4
207.19377	0.3
208.13405	0.4
210.14894	0.5
222.14908	0.3
229.11821	0.3
232.10498	0.4
234.14963	0.6
234.22208	0.3
236.16478	2.6
237.16908	0.3
238.18015	0.3
250.18007	0.6
254.17525	0.4
254.82100	0.2
262.17929	0.4
264.19565	0.9
274.18027	0.4
276.19583	1.4
276.42990	0.3
278.21210	1.0
302.21133	9.7
303.21469	0.8
308.22348	0.3
330.24164	0.4
340.25089	0.4
348.21713	0.5
348.25381	1.9
358.23721	0.6
376.24814	32.6
377.25110	3.7
394.25851	100.0
395.26016	9.8
417.90451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
56.05009	1.8
56.96570	3.6
57.07077	100.0
58.07409	3.2
67.05500	3.1
69.07080	9.3
70.73908	3.2
71.08633	83.7
72.08965	3.4
73.06567	2.7
79.94360	1.9
81.07057	6.0
82.07378	2.5
83.08617	6.2
85.09691	3.5
85.10186	52.8
89.06033	87.9
95.08604	6.1
97.10175	2.7
98.98456	17.4
99.11748	5.9
107.07059	5.9
109.10141	2.9
111.11739	1.8
113.13288	4.1
125.13223	2.2
127.14860	4.5
130.08646	3.4
133.08609	43.2
151.09650	6.6
155.01039	33.0
156.01396	6.0
177.11198	12.2
195.12292	93.3
240.24069	3.6
307.19498	2.6
377.32657	74.4
378.32950	6.1
379.76804	1.9
394.18506	2.6
394.25494	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	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99546	0.6
52.23053	0.5
53.03953	1.1
53.23629	0.5
55.05499	1.5
56.96557	1.3
57.03422	2.0
61.02928	0.8
69.03426	6.5
70.06589	0.7
71.04981	3.3
81.03416	2.9
83.04982	4.2
85.02901	14.2
87.04461	1.8
90.55789	0.5
95.04995	0.8
97.02889	3.5
97.06508	0.6
98.97561	0.8
99.02620	0.6
99.04452	2.5
101.06018	5.7
103.18579	0.6
109.02857	2.9
115.03947	2.5
119.07071	1.4
127.03918	10.4
129.05470	0.7
137.08099	1.2
142.28172	0.6
143.22513	0.6
145.04985	3.6
146.99684	0.9
147.06425	0.7
148.04872	0.6
199.09758	0.9
241.07251	0.7
244.99644	0.7
259.08124	1.3
274.03271	0.9
323.61649	0.6
394.22528	1.5
395.13147	100.0
395.22513	3.6
396.13519	4.8
396.19031	0.9
396.23895	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	395.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03345	0.6
53.03951	5.1
55.01867	2.4
55.05510	12.7
56.96563	1.9
57.03441	9.5
59.04998	2.9
61.02922	5.5
63.18067	0.7
67.05497	0.6
69.03431	39.5
71.04993	16.3
73.02921	1.9
73.06543	1.4
79.05492	0.6
81.03419	16.9
81.07077	0.9
83.04984	49.4
84.05305	1.1
84.08141	0.9
85.02908	100.0
85.06543	1.0
86.03237	1.6
86.60007	0.6
87.04465	10.5
91.03973	0.7
95.04976	0.9
97.02896	16.9
97.06544	0.9
98.97603	0.8
99.04462	10.5
101.02381	0.9
101.06021	53.6
102.06394	1.0
103.03944	1.3
109.02879	15.6
109.06545	0.8
111.04430	1.0
113.06047	0.7
115.03928	21.3
119.07051	1.5
120.06544	0.8
123.04432	0.8
127.03917	69.3
128.04248	0.9
129.05481	11.0
130.05797	0.6
133.04996	0.8
145.04962	24.8
147.06511	3.0
151.07571	0.9
163.06068	1.9
166.05135	0.8
179.75714	0.6
185.08145	1.1
197.08133	0.6
209.08113	0.9
215.09230	1.7
216.08917	0.7
227.09190	2.4
241.07115	3.1
241.23267	0.6
245.10275	0.8
250.56580	0.6
259.08136	17.0
263.11392	1.8
277.09232	2.0
279.17914	0.8
281.12335	2.0
289.13092	1.4
291.14676	0.9
296.18515	0.9
297.18909	1.2
307.14072	1.4
309.15744	1.1
317.12436	0.9
334.13391	0.9
335.13547	5.6
341.12314	1.6
352.21246	0.9
353.14615	3.5
359.13330	8.4
360.13867	0.7
371.15811	1.9
371.50946	0.7
377.14471	7.7
394.22308	1.7
395.15283	1.4
395.19452	0.5
395.22916	4.8
396.23944	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	396.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01866	2.1
57.03431	3.3
61.02927	5.7
69.03431	25.7
69.28680	4.5
71.04990	2.5
73.02924	6.3
81.03422	14.3
85.02907	89.6
85.06548	7.3
87.04469	23.1
90.33985	1.3
91.03934	5.0
97.02894	23.1
99.04449	5.1
103.03922	1.6
109.02885	12.3
109.33717	1.3
115.03934	100.0
116.04297	2.0
118.78245	1.1
127.03918	37.7
133.04968	39.2
144.82101	1.2
145.04961	61.2
163.06032	10.7
259.08105	12.6
277.09183	28.1
286.37799	1.2
396.23743	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	396.2145
Annotation	Tyr Thr Leu
Peak:m/z	Relative Intensity
58.66241	0.3
69.46182	1.6
70.65207	0.3
81.07048	0.5
81.80348	0.3
91.56889	0.3
96.08100	0.4
119.96416	0.3
120.08117	0.4
122.09679	0.4
134.09726	0.5
135.10402	0.4
136.11249	1.0
148.11256	0.8
151.13556	0.6
162.12747	0.8
163.13577	0.9
164.14351	1.6
192.17502	0.5
240.13701	0.7
242.15295	0.3
262.18039	3.2
274.11649	0.3
300.19614	3.0
304.22742	0.8
322.17801	0.6
344.06433	0.4
352.22522	0.6
368.22232	0.5
378.20428	7.2
378.26337	3.6
379.20621	0.8
396.21490	100.0
396.27304	10.3
397.21875	10.2
397.27591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05508	0.8
56.05038	1.1
58.06596	0.7
60.50955	0.5
61.09815	0.5
67.05492	1.3
69.03420	1.5
69.07052	1.4
70.06582	2.0
71.04987	1.0
79.05479	1.5
81.07050	2.1
82.06565	1.1
83.07343	0.6
84.08154	2.6
85.02905	2.0
91.05479	1.5
93.07038	1.1
94.06579	1.4
95.04981	0.8
95.08582	1.0
96.08121	3.7
97.02895	0.9
97.06496	1.0
97.08906	2.4
98.09711	1.7
99.21674	0.6
105.07022	0.9
106.06561	0.7
108.08126	0.8
109.73904	0.6
110.09679	4.7
111.08051	1.1
111.10463	1.0
115.03940	1.2
119.08547	0.7
120.08106	0.8
122.09661	1.3
123.04408	0.8
123.10446	0.7
124.11231	5.8
125.05988	1.7
126.09151	0.8
130.84888	0.5
133.10085	0.7
134.09636	1.2
135.08096	0.8
136.11243	3.9
137.11948	0.7
138.12732	1.0
145.04901	0.8
148.11182	1.2
149.09639	0.5
150.09145	2.3
150.12825	2.0
152.10716	1.0
154.12279	1.2
162.12740	1.2
164.14320	2.2
166.12303	5.6
168.10164	1.2
168.13820	5.2
176.14351	1.9
178.12350	1.0
180.13828	1.1
181.14584	1.4
182.11688	1.3
184.13377	0.6
192.13838	2.4
194.15388	11.2
198.14929	1.5
202.12202	0.6
224.16521	0.8
234.14888	1.6
236.16576	0.8
248.16467	0.7
250.18036	0.8
264.15967	1.0
266.17526	2.7
272.16492	1.5
272.76056	0.6
280.18967	2.5
290.17535	16.2
291.17828	1.0
298.20038	2.2
308.18478	1.6
346.19971	2.5
350.23206	0.6
360.21530	1.0
364.21149	10.5
365.21326	1.1
378.22699	26.2
378.26343	1.1
379.22903	2.7
396.23770	100.0
397.18945	0.9
397.24039	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	396.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05510	0.6
56.05030	0.9
58.06583	0.5
59.04986	0.4
66.50708	0.3
67.05503	0.9
68.05014	0.5
69.03421	1.0
69.07062	0.7
69.27932	2.1
70.06586	1.6
70.06923	0.4
79.05476	1.5
80.05016	0.7
81.03459	0.4
81.07055	2.0
82.06597	0.7
83.04964	0.9
84.08151	1.6
91.05466	0.8
92.19505	0.4
93.07029	0.7
94.06566	1.2
95.07369	0.4
95.08591	0.6
96.08139	4.0
97.02971	0.4
97.06499	0.8
97.08928	3.0
98.09692	1.8
100.28895	0.4
105.07011	0.8
107.08577	0.9
108.08191	0.8
109.08883	0.8
110.09679	5.2
111.04447	0.9
111.08086	0.4
111.10468	1.2
120.08144	0.4
122.09676	3.0
123.04430	0.5
123.10473	1.3
124.11230	7.3
124.12098	0.5
125.05988	1.6
126.09209	0.4
129.05475	0.5
133.10127	0.9
134.09650	1.1
134.76692	0.5
136.11212	3.9
137.12009	0.8
138.12785	1.3
147.66382	0.4
148.11229	1.6
150.09195	2.1
150.12775	2.2
152.14288	0.3
154.12274	1.7
162.12784	1.3
164.10826	0.4
164.14349	1.8
166.12282	6.2
167.12625	0.4
168.10210	1.4
168.13846	5.8
176.10785	0.4
176.14297	1.8
178.12227	0.9
180.13844	1.5
180.81285	0.3
181.14656	1.9
182.11748	0.8
184.13300	0.8
192.13802	2.4
194.15407	12.1
194.17195	0.6
195.15771	0.6
196.13399	0.8
198.13228	0.4
198.14952	1.3
210.14949	0.7
222.18642	0.4
224.12746	0.5
224.16487	0.9
234.14873	1.0
236.16476	1.1
248.16470	1.2
250.17931	0.7
264.15958	1.3
264.19492	0.8
266.17508	3.7
266.32584	0.4
272.16431	2.2
280.19101	4.3
290.17517	18.6
291.17874	1.7
298.20120	2.0
304.64780	0.4
346.20157	2.8
347.20441	0.6
360.21686	1.6
364.21146	9.1
378.22754	28.7
379.22977	3.2
396.10059	3.2
396.23804	100.0
397.24185	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	396.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.3
55.01804	0.4
55.05470	0.6
56.04971	0.9
57.03371	0.5
58.06546	0.4
61.41722	0.3
67.05427	1.0
67.05750	0.4
68.04947	0.5
69.03341	2.7
70.02697	0.9
70.06495	3.7
70.06905	0.4
71.04899	8.7
71.05334	0.9
72.08083	0.4
73.38046	0.3
74.05992	2.7
79.05397	1.5
80.04943	0.8
81.03319	1.2
81.06955	1.2
82.06480	0.5
83.04900	0.6
84.04405	2.7
84.08042	1.6
85.02808	3.8
85.06445	2.6
86.06008	0.7
86.09624	0.8
87.04405	0.7
90.05495	0.4
91.05375	1.8
93.06937	2.5
94.06468	1.1
95.04892	0.7
95.08538	0.8
96.08019	1.5
97.02801	0.9
97.06444	0.7
97.08839	0.7
98.05974	0.7
100.07544	0.6
101.07040	1.2
102.05439	1.1
105.06921	1.1
107.08479	1.5
108.08037	0.8
109.06432	0.6
109.10098	0.8
110.09609	0.9
111.08075	2.7
112.07528	0.8
115.03926	3.0
117.06875	0.3
119.08490	1.0
120.08105	2.8
121.06402	1.0
122.09665	2.3
123.04378	0.5
123.07994	0.7
124.07501	0.9
124.11124	0.7
125.05904	0.5
125.09508	0.7
126.09054	1.2
127.03883	1.7
131.08516	0.6
133.04874	1.3
134.09566	0.6
135.07919	1.1
136.07564	2.2
136.11212	9.3
137.05939	0.5
137.09512	0.7
140.07092	2.4
142.08545	0.4
145.04985	1.8
145.10056	0.5
147.07999	0.5
148.11111	0.7
149.09612	0.4
150.09151	2.3
152.10719	2.9
153.09032	0.8
154.12268	3.6
158.08112	0.5
162.12659	1.3
163.05974	0.3
164.10638	0.5
164.14243	1.2
165.09001	1.0
166.08534	1.2
166.12206	0.8
168.06427	1.0
168.10197	2.6
170.04462	0.4
170.11699	0.6
171.10155	0.4
180.13750	1.5
182.10289	0.4
182.11763	5.0
184.13300	0.4
185.09134	0.9
199.09636	1.8
203.08749	0.4
203.10287	4.5
208.13408	1.6
217.10542	0.6
231.09662	3.2
234.15117	1.8
236.16452	4.0
237.16640	0.4
249.15813	0.5
252.15974	0.4
260.16422	1.5
264.15891	0.5
277.11804	0.5
278.17447	3.9
279.17877	0.4
282.16989	0.3
288.19656	0.4
300.18402	0.4
316.19012	1.1
322.20111	3.5
334.20142	7.1
335.20227	0.9
352.21167	72.5
353.21539	5.3
378.22833	0.4
396.23828	100.0
397.24176	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	396.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05461	0.8
63.03080	0.4
67.05434	1.4
69.03344	2.5
69.07028	0.6
69.21442	2.5
69.21767	0.6
70.06513	3.2
71.04914	7.3
79.05415	1.0
80.04953	0.6
81.03360	0.9
81.07003	1.0
83.04947	0.4
84.08070	1.2
85.02908	4.0
85.06539	2.3
86.06016	0.6
86.09637	1.1
87.04399	1.3
91.05405	0.9
91.16912	0.5
93.06960	1.4
94.06520	0.8
95.04916	0.9
95.08510	1.3
96.08061	1.1
97.02805	1.0
97.06483	0.6
97.08857	0.5
98.05978	0.8
98.22702	1.0
99.04363	1.6
105.06970	0.9
107.08509	1.3
108.08060	0.5
109.06438	1.0
109.10097	0.7
110.07095	0.5
110.09634	0.9
111.04346	0.5
111.08054	2.2
111.10303	0.4
112.07538	0.5
115.03941	4.0
119.08527	0.6
120.08030	1.1
121.06464	1.1
121.10036	0.5
122.09567	2.0
123.07987	0.6
124.07544	0.8
125.05933	0.8
125.09570	0.8
126.09061	0.9
127.03896	2.1
128.06982	0.5
133.04889	1.4
134.09624	0.7
136.07477	0.6
136.11212	10.1
137.09506	0.6
145.04944	3.0
148.11125	0.6
150.09149	2.9
152.10599	1.8
153.09015	1.0
154.12242	4.3
162.12729	1.0
163.07532	0.5
164.14250	0.6
165.09082	0.5
166.12212	0.8
168.10175	2.4
175.11009	0.5
180.13724	1.4
182.11742	4.8
199.09596	1.4
204.00873	0.6
208.13185	1.4
217.10649	0.8
231.09700	0.7
234.14772	1.5
236.16444	3.6
259.08060	0.7
260.16403	1.7
277.09213	0.5
278.17520	4.2
292.19049	0.6
306.68381	0.5
316.19070	1.7
322.20093	3.9
334.20059	6.3
352.21170	65.8
353.21478	4.9
396.23819	100.0
397.18921	0.5
397.24078	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	396.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22321	0.4
55.01859	0.7
55.05510	0.7
57.03439	2.2
57.07062	0.4
61.02913	1.8
67.05515	1.0
69.03432	6.1
69.07067	0.6
69.77958	1.3
70.06561	0.5
71.05013	1.0
73.02921	1.4
75.89233	0.4
79.05495	0.7
80.05022	0.5
81.03434	3.3
81.07063	1.6
82.06590	0.6
83.07360	6.2
85.02911	15.2
85.06547	44.6
86.03271	0.4
86.06075	0.9
86.06887	1.3
87.04463	3.9
91.03994	0.9
91.05479	1.1
93.07047	1.5
94.06606	0.7
95.04977	2.1
95.07331	0.5
95.08629	0.5
95.29996	0.4
96.08147	1.6
97.02905	4.8
97.06467	0.5
103.07586	2.7
105.07008	0.8
107.08639	1.1
109.02883	2.7
111.08088	1.0
113.06001	1.5
113.09648	4.1
115.03107	0.8
115.03934	15.6
116.04332	0.5
117.07053	0.6
119.08595	1.2
121.06516	0.9
122.09660	0.8
124.11201	1.1
125.08421	0.4
125.12031	0.5
126.12790	1.1
127.03915	7.0
127.06261	0.5
133.04971	4.9
133.06516	0.7
133.54512	0.4
136.11270	0.6
137.09566	1.0
138.09128	0.6
138.12793	2.4
140.06981	0.5
143.08641	0.5
145.04977	7.9
145.10110	0.4
146.05284	0.5
147.08054	0.8
150.09090	0.4
150.12764	0.5
152.10735	0.8
154.12277	0.8
159.08006	0.5
161.13280	0.5
163.06030	0.8
164.14389	0.7
167.99017	0.4
170.11726	2.2
176.14178	0.5
178.15999	0.5
179.14386	0.5
194.11787	1.5
194.15437	1.1
205.15898	3.2
206.15462	0.6
208.13380	3.6
209.13834	0.5
223.15668	0.5
232.16997	0.6
233.15395	2.0
250.18008	1.6
259.08182	1.8
277.09293	2.9
292.19110	8.0
301.18372	0.4
308.18753	1.0
310.20151	5.0
329.17490	0.5
333.18402	1.2
336.21759	6.7
346.20218	0.5
351.19513	2.3
352.21185	0.6
364.21170	22.2
365.21478	1.6
378.22672	1.9
396.23825	100.0
397.24310	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	396.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71574	0.2
55.01872	0.5
55.05504	0.4
56.96577	0.2
57.03432	0.9
67.05498	0.9
69.03427	2.5
69.11934	0.2
69.93002	0.8
70.06589	1.0
71.04996	5.9
74.60728	0.2
79.05501	1.2
80.05025	0.6
81.03407	0.6
81.07071	1.2
82.83759	0.3
83.04974	0.6
84.08147	0.7
85.02893	1.4
85.06536	0.6
87.04469	0.3
91.05473	0.6
91.25742	0.2
93.07039	1.0
94.06586	0.7
95.04961	1.8
95.08614	0.9
96.08114	0.6
97.02880	0.3
97.06541	0.7
98.06071	0.3
98.23344	0.3
105.07006	0.9
107.08589	1.0
108.08089	0.3
109.06515	1.7
110.06014	0.3
111.08079	1.9
112.07625	0.3
117.07024	0.3
119.08581	0.8
120.08093	0.3
121.06503	0.3
121.10162	0.5
122.09655	2.0
123.08067	1.0
124.07597	0.3
124.11147	0.3
125.06016	0.7
125.09676	0.3
127.03909	0.5
128.07097	0.2
131.08563	0.6
134.09633	0.5
135.08061	1.3
136.11235	0.9
139.07545	0.3
141.09126	0.8
145.04939	0.3
145.10091	0.3
148.07622	0.2
149.09653	1.0
150.09120	2.3
152.10736	0.7
153.09113	0.8
154.12282	0.4
161.09641	0.4
162.12827	0.3
163.11078	0.3
164.10800	0.4
164.14394	0.5
165.09065	0.2
167.10686	0.4
168.10231	2.1
178.12236	0.2
180.10214	0.4
181.05025	0.5
181.12183	0.5
182.11826	1.0
184.13290	0.6
191.10695	0.7
192.13788	0.3
198.11272	0.4
208.13461	0.3
234.14952	0.5
236.16537	0.3
252.16003	0.3
262.18033	0.4
278.17679	0.3
292.19189	0.3
304.19193	0.4
322.20142	1.1
338.19669	0.3
352.21136	0.7
360.21683	0.6
378.22873	0.9
396.23822	100.0
397.11115	0.4
397.24185	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	396.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05529	0.8
57.03437	1.1
60.26674	0.5
61.02923	0.9
67.05482	1.0
69.03427	9.3
70.06590	2.0
71.04987	4.1
73.02875	0.7
79.05500	0.8
80.05007	1.8
81.03416	1.6
81.07053	0.9
82.06580	0.5
84.08133	1.8
84.62315	0.5
85.02904	9.4
85.06542	3.7
87.04460	2.2
91.03944	0.9
91.05479	1.3
93.07030	1.6
94.06562	1.6
95.04981	2.6
95.08593	2.1
96.08130	1.1
97.02879	4.7
100.07645	0.7
105.07021	1.4
107.08590	1.1
109.02868	1.0
109.06527	1.0
111.08085	24.3
112.08394	0.9
113.09644	1.3
115.03922	5.8
119.08575	0.9
120.08110	0.9
121.06492	0.9
121.10149	0.9
122.09663	1.9
123.08068	1.1
125.05977	0.7
125.09621	0.8
127.03943	5.5
128.07071	0.9
132.66875	0.5
133.04977	2.1
134.09650	0.7
135.08034	1.2
136.11230	1.9
137.05922	0.8
138.09149	1.0
140.10664	0.9
141.09167	0.6
145.04945	7.1
145.10069	0.5
149.09584	0.6
150.09111	2.2
152.10698	0.8
153.09074	0.9
154.12370	0.6
163.06070	2.3
163.07391	0.6
168.10216	2.1
170.11751	1.5
180.13885	1.4
181.05042	0.9
181.08615	0.6
181.12172	0.8
182.11781	2.3
199.09650	1.7
199.13309	0.7
206.15405	3.7
208.13292	1.3
217.04657	0.8
222.15082	0.7
231.30844	0.5
234.14882	14.7
235.05765	5.6
235.15326	0.8
236.16592	0.7
238.14275	0.7
250.14517	0.7
252.15875	1.1
255.08426	0.8
259.08157	1.0
262.18076	1.7
277.09186	3.1
280.16403	0.6
280.18851	3.0
292.15207	5.7
308.18555	74.2
309.19003	4.5
322.20016	1.3
338.19464	1.4
350.19409	5.1
350.23227	0.9
352.21265	3.6
360.17700	3.9
360.21548	0.6
367.27255	0.6
378.18802	10.0
378.22906	3.7
379.19119	1.2
396.19711	17.9
396.23825	100.0
397.11081	15.5
397.19931	1.6
397.24438	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	396.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03421	0.8
62.57445	0.5
67.05503	2.1
69.03438	4.5
69.05441	0.5
69.07060	1.3
69.23218	0.5
69.23537	3.2
70.06594	4.6
71.04994	10.1
71.05357	1.1
72.08156	1.3
74.06071	1.0
79.05486	2.0
80.05023	1.9
81.03408	0.8
81.07055	2.2
82.06563	0.6
83.04982	1.2
84.04506	0.8
84.08151	2.2
85.02909	2.3
85.06551	4.7
86.06059	0.9
86.09714	2.2
87.04472	1.4
91.05485	2.4
93.07063	3.7
94.06548	1.1
95.04958	0.8
95.08617	1.6
96.08115	1.9
97.02908	1.2
97.06551	1.2
97.08877	0.5
98.06058	1.2
103.43429	0.5
105.07052	1.3
107.08589	1.9
108.08174	0.8
109.06537	1.0
109.10148	1.2
110.07193	1.3
111.08076	3.4
111.53086	0.5
112.07598	1.1
115.03923	1.7
119.08602	1.1
120.08126	2.0
121.06521	0.9
122.09657	3.8
123.04444	0.9
123.08065	0.6
124.07584	1.3
125.09637	0.7
126.09133	1.4
127.03909	1.3
130.12088	0.5
133.10078	0.6
134.09618	0.6
135.08058	1.2
136.07570	3.5
136.11205	8.7
137.09669	0.5
139.07503	1.2
140.07080	0.6
140.10680	0.6
142.08705	1.4
145.04987	1.4
148.77640	0.6
150.09151	3.1
152.10739	2.9
153.09132	1.3
154.12257	2.0
158.57141	0.5
162.12785	0.9
164.10776	0.6
164.14383	1.4
166.08659	0.7
166.12291	0.9
168.10217	3.0
170.11743	1.2
180.13799	0.9
182.11768	5.5
184.13284	0.8
187.10820	1.5
190.12213	0.9
194.13879	0.6
195.16757	0.6
199.09676	2.4
208.13399	1.4
231.09666	0.7
234.14941	1.1
236.16447	2.6
244.93202	0.6
246.15027	0.5
249.15968	1.7
260.16345	1.3
272.61237	0.5
278.17429	2.6
282.17145	0.9
316.18973	0.7
322.20105	7.9
323.20514	0.6
334.20169	4.7
352.21176	86.3
353.21512	8.0
378.18713	2.0
396.23825	100.0
397.24420	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	396.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77884	0.3
55.01860	0.4
55.05501	1.4
56.05029	1.5
63.58643	0.3
67.05502	1.9
69.03420	1.0
69.07063	0.9
70.06578	1.7
71.05012	0.8
79.05484	1.6
80.04963	0.4
81.07061	2.0
82.06549	0.5
83.08642	0.4
84.08134	1.3
91.05467	1.0
93.07016	2.1
94.06569	1.2
95.08592	2.3
96.08121	1.1
96.57165	0.3
97.10184	0.7
98.09754	0.4
99.04438	1.3
105.07034	1.0
107.08582	1.8
109.10155	1.2
110.09681	1.6
111.08083	0.6
119.08604	1.8
120.76029	0.3
121.10158	1.0
122.09666	1.2
124.11182	0.6
125.05981	0.5
127.07600	0.4
128.60437	0.3
131.08592	0.7
133.10129	1.0
134.09653	0.8
135.11642	0.6
136.11218	6.7
138.12794	0.7
143.08620	0.5
145.10085	1.2
147.11697	0.8
148.11208	0.7
150.09142	1.2
150.12788	3.3
151.13530	1.0
159.11662	0.5
161.13228	0.5
162.12811	1.5
164.14337	2.3
168.10252	1.0
182.11758	0.6
184.13353	0.4
190.15820	0.6
204.17522	0.3
226.94978	0.4
236.16396	1.8
238.18007	0.9
241.89159	0.5
278.21207	1.4
304.22720	12.1
305.23001	1.3
350.23270	0.7
360.25223	2.6
376.93427	0.5
378.26364	37.2
379.26773	3.2
396.27429	100.0
397.27805	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	396.2746
Annotation	Saliniketal A
Peak:m/z	Relative Intensity
55.05500	0.8
56.05038	1.9
58.76990	0.3
67.05514	1.4
68.37234	0.3
69.03429	0.5
69.07050	0.5
69.59448	1.1
70.06574	1.3
71.04985	0.8
79.05486	1.2
80.05009	0.5
81.07045	1.7
83.08597	0.4
84.08115	1.3
85.06528	0.4
91.05476	0.6
93.07053	2.2
94.06576	0.6
95.04862	0.3
95.08613	3.1
96.08131	1.5
97.10165	0.4
98.09681	0.7
99.04418	1.0
102.38990	0.3
105.07025	1.2
107.08569	1.5
108.08085	0.4
109.10165	0.7
110.09662	1.2
112.07571	0.5
119.08588	1.7
120.08105	0.4
121.10159	0.8
122.09652	1.1
123.10442	0.6
123.11690	0.4
124.07591	0.5
124.11205	0.7
125.05995	0.4
131.08545	0.7
133.10103	1.2
134.09587	0.6
135.11659	0.8
136.11209	4.0
136.55304	0.3
137.11969	0.4
138.09096	0.7
138.12749	0.4
145.10077	1.1
147.11671	0.7
148.11200	0.9
150.09140	0.7
150.12785	3.6
151.13554	0.9
155.08464	0.3
155.71188	0.3
159.11676	0.7
162.12749	1.0
163.13568	0.7
164.10735	0.3
164.14320	2.2
168.10252	0.5
182.11852	0.4
184.13359	0.8
192.17400	0.9
204.13872	0.4
216.13899	0.3
218.15508	0.3
236.16466	1.2
238.18011	0.7
242.55791	0.4
264.19586	0.4
278.21173	1.1
304.22699	13.4
305.23071	1.3
307.05493	0.4
332.25778	0.5
345.50534	0.3
350.23303	0.7
360.25424	0.3
378.26376	44.4
379.26715	3.6
396.27432	100.0
397.27771	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	396.2747
Annotation	Saliniketal A
Peak:m/z	Relative Intensity
51.85727	0.4
54.27953	0.3
55.01874	0.6
55.05518	1.9
56.05028	1.2
56.15765	0.3
67.05495	1.1
69.03426	1.0
69.07071	1.1
69.24928	0.3
69.69798	1.1
70.06590	1.3
71.04989	0.7
79.05491	1.2
80.04996	0.7
81.07056	2.4
84.08128	1.6
90.35377	0.3
91.05478	1.0
91.72765	0.3
93.07053	2.1
94.06576	0.9
95.08607	3.7
96.08107	1.9
97.08895	0.5
97.10187	0.5
99.04467	1.2
101.06010	0.4
105.07027	1.3
107.08604	1.4
109.10162	0.8
110.09683	1.4
112.07555	0.4
119.08574	1.0
120.08054	0.3
121.10136	1.2
122.09666	2.6
122.40442	0.3
124.07633	0.4
124.11206	0.6
133.10112	1.1
136.11208	6.1
137.12029	0.5
138.12804	0.8
142.08635	0.9
147.11693	0.6
148.11256	0.8
150.09198	2.0
150.12802	2.8
151.13495	0.6
152.10753	0.5
161.11932	0.4
162.12805	1.3
164.14401	1.1
168.10168	2.2
173.13171	0.6
182.11745	1.0
184.13391	0.5
190.15944	0.5
192.17490	0.4
196.13322	0.4
204.13943	0.4
222.14920	0.9
227.78214	0.3
234.14857	0.6
236.16417	4.7
238.17952	0.6
243.11693	0.3
244.66618	0.3
264.19604	0.5
280.22751	0.4
296.22110	0.6
304.22699	3.1
322.23740	2.4
332.25891	0.6
336.18152	0.6
341.18396	0.4
360.25299	1.3
378.26382	32.8
379.26743	3.0
385.17267	0.4
388.58722	0.3
396.27441	100.0
397.22781	0.3
397.27737	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	396.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.2
57.07071	12.2
67.05486	2.2
69.03423	2.8
69.07066	25.0
70.06593	18.0
70.86977	1.8
71.04983	2.3
75.51466	1.6
80.94842	1.9
82.06564	3.1
83.04955	2.4
83.08632	13.0
84.08140	4.2
85.02895	6.5
85.06541	11.0
86.09695	23.3
87.00836	2.1
87.82239	1.5
97.02876	3.4
99.04455	2.0
100.07599	9.5
100.11254	85.0
102.09161	4.6
104.10741	2.0
105.01862	3.6
109.02859	2.0
111.04445	14.8
112.07610	8.9
114.09190	8.8
117.13929	2.3
125.00015	2.5
127.03880	4.7
128.07080	8.5
140.07071	6.8
159.02913	1.6
168.13829	60.2
169.14171	1.8
182.15408	12.0
184.07274	5.8
184.16937	34.5
196.13327	60.7
197.13574	1.6
198.91963	1.5
201.19623	17.8
209.16437	4.7
210.14899	19.2
211.15218	1.6
221.06609	1.4
226.19119	4.9
227.17529	5.0
228.15936	11.8
231.05003	1.8
239.09018	1.9
293.22641	1.9
294.25275	3.7
295.23917	7.5
311.23251	33.8
312.26453	5.6
378.26807	2.5
378.31131	10.2
390.96350	1.7
396.27377	8.5
396.32162	100.0
397.32489	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	397.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98941	0.9
53.03949	2.0
55.01880	1.5
57.03440	5.0
57.07076	2.0
61.02928	3.3
63.22366	0.9
67.05498	3.7
69.03430	18.4
69.07064	1.5
69.14409	3.2
69.14814	2.7
70.06600	6.3
71.04999	1.9
73.02923	3.6
77.46638	0.9
79.05495	1.1
81.03416	10.0
84.08114	1.2
85.02908	68.7
85.06546	15.1
86.03247	2.2
86.09705	1.8
87.04472	27.0
87.05009	1.6
91.03952	1.9
95.04976	1.6
97.02897	17.9
98.22684	1.6
99.04456	6.4
103.03983	1.6
103.07616	2.5
109.02879	8.8
110.07140	2.3
111.08060	1.3
115.03935	100.0
115.07544	1.0
116.04269	3.9
116.07077	1.4
121.08627	5.8
127.03922	36.6
128.04277	1.4
133.04965	30.1
134.05292	1.1
145.04967	32.3
146.05302	1.5
157.04990	1.4
163.06033	5.6
213.12419	1.2
241.06946	1.5
245.37520	1.0
259.08215	9.1
269.21198	0.9
277.09164	15.9
278.09692	1.1
343.13895	1.2
353.21536	2.6
397.24490	10.8
398.21228	2.6
398.25482	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	398.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31240	2.0
52.56569	1.8
55.01873	3.8
56.87414	1.9
57.03437	7.6
58.37548	1.8
61.02932	6.3
69.03441	31.5
69.53361	4.3
69.53752	4.1
70.06601	6.7
71.04987	4.9
72.78165	1.8
73.02918	7.4
79.05518	2.0
80.05037	8.4
81.03426	17.8
81.07073	1.9
82.80878	1.8
85.02908	82.0
87.04469	23.2
91.03972	4.4
91.05519	3.0
93.07033	2.0
94.06623	3.0
95.04978	20.2
97.02890	27.1
99.04472	5.4
105.01862	1.9
107.08588	3.5
109.02892	12.7
111.08114	2.1
113.50815	1.9
115.03934	100.0
116.04253	3.1
122.06148	2.5
123.04457	4.7
127.03918	39.1
129.03513	2.3
132.04445	17.5
133.04977	41.4
138.09148	3.2
145.04970	47.2
146.05353	2.0
148.07587	4.8
148.11238	1.9
163.06039	11.8
174.98669	1.9
194.11708	4.3
207.56419	1.8
214.12277	3.8
224.14841	2.1
232.13351	4.5
246.40053	2.0
259.08121	11.2
277.09174	29.9
278.09808	2.0
278.17474	3.0
282.15134	3.4
308.18640	2.1
312.16193	2.5
316.17130	4.5
334.18265	23.1
337.76633	2.0
340.20883	2.1
352.19208	46.7
353.19589	4.0
354.22849	3.2
370.20416	3.1
380.19534	5.7
380.24539	2.6
382.11227	2.4
398.20285	29.7
398.25513	15.3
399.20151	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	398.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84904	2.3
55.01868	5.2
55.05513	2.7
56.05026	2.9
57.03436	3.8
59.04981	2.5
67.05508	3.6
67.22080	2.5
69.03440	12.9
69.07079	2.5
70.06596	54.1
71.04994	12.1
79.05516	4.0
80.05009	3.4
81.07062	4.1
82.06565	2.9
83.01347	15.0
83.07357	4.6
84.08147	17.4
85.02927	3.2
86.06069	9.6
87.04488	7.4
91.05477	3.0
91.08323	2.7
93.07046	2.9
94.06593	3.1
95.04978	5.7
96.08115	8.1
97.02895	4.8
97.06488	2.2
98.06060	17.7
106.06575	10.5
108.08145	12.3
109.06514	4.3
110.09705	10.7
111.08095	2.4
112.07626	7.8
115.03939	3.6
116.24793	2.3
120.08110	4.0
121.06549	3.2
121.08955	3.1
122.09673	43.2
123.10453	74.0
124.07603	9.0
124.11230	10.6
125.28845	2.8
126.09152	5.5
127.07574	10.6
129.05518	18.9
134.09679	22.6
135.10416	3.4
136.07584	4.4
136.11227	4.1
138.09087	15.4
139.09918	7.2
140.10744	18.8
143.03378	3.2
150.09135	36.9
151.09929	17.2
152.10693	59.8
153.11076	3.1
155.07022	4.7
156.10201	12.8
157.04991	8.6
164.10796	5.5
166.08676	7.4
167.09399	2.6
168.10231	16.0
170.07841	2.4
176.10774	5.3
178.12308	5.1
179.13025	2.6
180.13860	4.8
181.05002	4.2
182.15385	18.9
184.09732	5.1
196.13402	7.2
198.11261	4.4
206.11787	3.8
219.06795	3.1
224.12776	5.8
234.14799	4.5
240.12454	3.8
246.11270	2.7
256.15573	2.9
272.20602	2.6
278.14011	6.2
296.14972	8.6
310.16528	16.7
316.33521	2.9
322.16528	31.0
326.15936	4.1
338.16086	9.6
354.19278	9.9
366.15665	14.6
380.17078	4.1
398.18155	100.0
398.29181	20.5
399.18683	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	398.1965
Annotation	Pallimamine
Peak:m/z	Relative Intensity
51.12032	0.5
55.05488	1.2
57.07084	0.7
57.08807	0.6
67.05505	1.5
67.38539	0.4
69.03429	0.6
69.07064	0.9
70.06589	1.1
71.04995	0.6
71.08628	0.7
71.23370	0.6
79.05501	0.5
81.07046	2.2
83.01346	1.7
83.04983	0.9
88.07632	0.9
89.06031	1.8
91.05489	1.1
93.07057	0.7
94.40226	0.5
95.04955	0.7
95.08591	1.2
97.06522	0.7
99.04460	2.4
102.05576	0.6
109.06487	0.8
109.10148	1.0
111.95396	0.5
119.08618	0.6
123.08089	0.6
127.03918	3.6
132.08037	0.5
133.08600	0.8
168.08070	0.9
170.06006	2.0
171.06750	0.8
172.07576	1.0
184.07559	2.0
185.08241	0.7
186.09180	3.7
196.07562	1.6
198.05499	2.0
198.09193	0.8
199.06207	0.7
200.07036	0.9
200.10690	2.6
212.07086	1.0
212.30823	0.5
213.07744	0.8
214.08687	2.8
226.08633	1.8
228.06549	1.6
228.10182	1.3
228.13884	1.9
239.09070	0.6
239.14726	0.8
240.10229	0.8
242.08049	2.4
242.15439	1.5
243.08884	1.1
243.16156	0.9
244.09673	1.1
252.10213	0.7
254.11766	0.7
256.09824	0.5
256.13513	0.8
264.10165	0.5
268.13336	0.9
270.11206	0.6
270.14911	2.7
271.09479	0.7
284.12518	0.6
285.13284	0.5
298.10632	0.7
300.15900	8.3
300.37274	0.5
301.16257	0.9
310.10425	0.9
312.12125	1.0
324.12411	3.5
325.13138	1.0
326.10226	11.4
327.10742	1.5
340.11819	8.3
340.15677	0.8
341.12546	8.2
342.13190	2.2
354.13519	0.8
355.13873	1.8
366.16995	1.2
367.17587	0.6
368.15082	1.1
380.30927	0.7
382.16626	0.7
383.17233	8.3
384.17734	0.6
388.20856	0.7
397.71915	5.4
398.19592	100.0
398.36337	2.2
399.19925	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	398.1967
Annotation	Pallimamine
Peak:m/z	Relative Intensity
53.13806	1.0
55.05500	2.4
67.05509	5.5
69.03412	1.3
69.07063	2.9
69.44212	3.4
70.06606	5.5
74.06081	1.0
75.21910	0.9
81.07060	3.6
88.07635	13.4
90.21391	0.9
91.05460	1.4
92.58759	0.9
93.07054	1.7
95.08603	3.3
97.06521	2.4
102.09180	2.8
105.07068	2.0
107.08600	1.4
119.08543	0.9
135.08064	0.9
148.08421	1.0
200.50693	0.9
217.37209	1.1
225.11546	1.0
242.16281	0.9
252.10161	1.3
264.10184	1.8
266.11731	1.4
268.09714	16.4
268.13278	5.6
269.09995	1.3
278.11774	2.2
280.09680	3.1
281.10495	3.7
282.11261	2.3
286.10806	2.6
294.11191	1.5
295.12018	3.3
296.12796	33.8
296.16138	1.8
297.13217	1.9
308.09256	1.7
310.14374	12.1
322.10733	40.0
322.17999	1.8
322.86365	1.0
323.11264	3.5
323.18683	0.9
324.16028	2.8
336.32538	8.4
338.17538	1.2
339.18246	8.4
340.11847	2.2
340.19037	1.5
353.19778	3.4
354.20615	2.3
365.16119	5.2
366.16919	1.7
370.20135	1.4
380.18640	6.9
381.19019	2.1
383.17093	1.1
389.21576	1.2
397.71915	8.0
398.19632	100.0
398.36316	38.7
399.19931	8.9
399.36307	1.2
406.21799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.6
55.56071	2.2
57.03437	18.6
58.38104	2.4
61.02925	2.8
65.70050	2.5
69.03429	58.3
69.07066	28.8
69.29111	10.5
71.04987	2.9
73.02917	5.4
81.03412	9.6
85.02903	83.1
86.09704	5.8
87.04472	44.9
95.04960	4.2
97.02891	61.3
98.23582	3.9
99.04437	3.7
109.02872	7.0
111.08056	14.5
115.03931	97.1
117.09058	2.5
127.03914	19.7
132.04460	7.1
133.04967	100.0
145.04982	36.9
150.07561	4.8
163.06013	18.8
169.04973	3.2
201.11255	5.5
213.11182	3.0
234.02284	2.5
241.07063	5.5
259.08133	12.4
277.09244	13.3
295.10144	14.6
352.19254	5.9
357.08167	2.5
398.20624	6.7
398.25272	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	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
55.05522	4.5
57.03437	31.6
59.05014	2.7
61.02925	15.0
69.03432	60.9
69.07071	23.2
69.26209	13.7
70.06598	3.8
70.49788	2.4
71.01380	2.5
71.05013	2.9
73.02920	56.3
79.05486	3.2
80.05021	9.2
81.03416	9.6
81.07054	10.0
82.39890	2.2
85.02906	100.0
85.03419	5.5
85.06530	2.7
86.09727	2.9
87.04471	25.3
88.04811	2.7
91.03947	2.4
91.05487	3.6
93.07063	7.9
95.04971	12.5
95.08628	7.3
96.08139	2.4
97.02896	72.0
97.06533	4.3
99.04476	3.8
105.07059	2.7
107.08575	3.6
109.02887	10.5
109.06542	4.9
111.08080	9.9
115.03936	77.6
115.07605	4.6
119.08600	5.3
123.04436	3.1
127.03912	33.2
131.08575	4.4
133.04970	64.5
135.08032	2.6
145.04962	62.0
147.08124	2.9
148.07539	3.1
150.07602	6.5
153.09126	5.1
163.06029	31.5
165.09117	4.4
166.08707	2.9
177.09132	3.6
183.10172	2.6
195.10117	11.9
201.11279	4.5
213.11287	5.8
223.06050	3.0
241.07065	5.6
251.83684	2.7
259.08136	11.0
277.09259	7.9
278.17538	6.1
295.10406	5.2
335.01678	2.6
340.21188	5.9
340.82849	2.6
352.04483	2.4
352.19302	12.5
380.20554	8.3
380.24680	5.4
398.20947	16.1
398.26047	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.6
55.56071	2.2
57.03437	18.6
58.38104	2.4
61.02925	2.8
65.70050	2.5
69.03429	58.3
69.07066	28.8
69.29111	10.5
71.04987	2.9
73.02917	5.4
81.03412	9.6
85.02903	83.1
86.09704	5.8
87.04472	44.9
95.04960	4.2
97.02891	61.3
98.23582	3.9
99.04437	3.7
109.02872	7.0
111.08056	14.5
115.03931	97.1
117.09058	2.5
127.03914	19.7
132.04460	7.1
133.04967	100.0
145.04982	36.9
150.07561	4.8
163.06013	18.8
169.04973	3.2
201.11255	5.5
213.11182	3.0
234.02284	2.5
241.07063	5.5
259.08133	12.4
277.09244	13.3
295.10144	14.6
352.19254	5.9
357.08167	2.5
398.20624	6.7
398.25272	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	398.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90164	0.7
55.05500	1.8
57.03423	3.1
57.07076	19.1
58.09797	0.7
62.06089	22.8
67.05491	2.6
69.07075	1.3
69.79385	1.6
69.79772	1.2
71.08629	9.1
73.27334	0.6
81.07039	4.0
83.08624	3.8
85.10172	6.3
89.05993	1.0
95.08607	8.8
97.02908	0.9
97.10179	0.9
98.22774	1.5
98.98460	2.8
109.10152	5.5
124.01658	1.0
142.02634	0.7
155.01051	4.3
183.17419	3.5
198.05202	1.2
216.06357	2.8
226.21655	8.6
239.44998	0.6
257.21109	100.0
258.21451	5.4
337.17703	7.1
353.72928	0.8
372.92072	0.7
380.22028	3.9
398.23315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05515	0.9
57.03440	0.5
59.58418	0.3
61.02918	0.5
67.05502	1.0
68.05025	0.3
69.03432	2.1
69.07071	0.5
69.43628	0.6
69.44028	0.6
70.06592	2.9
71.04992	6.9
79.05477	1.5
80.05036	0.4
81.07061	2.3
82.06589	0.3
83.04989	0.8
84.08156	1.3
85.02924	0.4
85.06566	0.4
91.05503	1.2
93.07038	1.6
94.06593	0.4
95.04978	0.6
95.08589	1.9
96.08152	0.7
97.02848	0.7
98.06095	0.9
99.04475	0.5
105.07035	1.1
107.08602	0.7
108.08132	0.6
109.06536	0.9
111.08076	1.4
119.04952	0.6
119.08572	0.7
121.06494	0.3
121.10110	0.4
122.09688	1.9
123.08087	0.8
124.07564	0.6
125.09641	0.4
128.07050	0.3
131.08588	0.5
133.10126	0.4
134.09668	0.7
135.08069	0.4
136.11209	1.6
138.39621	0.3
143.08614	0.4
145.10167	0.4
147.04417	0.5
150.09134	1.1
152.10724	0.8
153.09212	0.3
154.12286	0.8
162.12866	0.7
164.10683	0.5
164.14395	0.7
168.10272	1.3
175.03943	0.8
180.10199	0.5
182.11749	6.9
194.11792	0.3
198.11250	0.6
206.15518	0.3
206.80936	0.3
207.06540	1.9
220.13425	0.4
234.14894	0.6
236.16501	0.7
238.62871	0.3
250.09380	0.5
252.15855	0.3
262.18018	2.9
264.19519	0.5
266.17609	1.0
276.15918	0.3
292.19226	0.5
294.17105	2.6
294.20459	0.6
306.20789	0.4
324.21643	0.6
336.21643	3.5
352.21146	1.0
354.22736	1.6
380.20621	0.5
380.24457	3.7
392.75436	0.3
394.59451	0.3
398.25482	100.0
399.25882	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	398.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	8.2
71.95279	0.6
90.56295	0.2
98.97583	85.8
99.97912	0.6
100.27001	0.2
112.61806	0.2
116.98623	41.6
117.98997	0.4
119.27226	0.2
130.93324	0.9
134.99657	12.0
140.00200	0.7
145.44505	0.2
153.00734	0.7
154.93343	0.3
158.01262	0.3
172.94360	4.1
174.97551	0.2
177.01048	0.3
190.95401	3.3
197.95126	0.4
198.97528	0.3
208.96487	0.8
214.95351	3.0
216.98753	0.3
217.26651	0.2
219.02036	0.3
222.13139	0.2
230.10522	0.2
232.96486	7.2
234.99802	0.2
240.98782	0.4
241.94087	0.2
250.97548	2.9
256.96429	15.2
257.96832	0.4
258.99777	3.6
259.99957	0.3
261.03064	0.5
262.03308	0.2
274.97504	100.0
275.97845	2.5
276.98038	0.4
277.00815	3.3
278.01117	0.3
279.00861	0.2
282.99960	1.5
284.00162	0.3
284.99817	0.4
292.98560	48.1
293.98825	1.1
294.99094	0.3
297.99088	1.8
298.97861	0.5
301.01120	1.6
302.01215	0.4
310.99515	0.3
316.00214	0.6
316.98752	0.7
317.98502	0.4
331.99628	0.4
350.00964	0.2
357.03589	1.1
358.99957	0.3
374.98630	0.2
375.97699	0.2
377.24789	0.2
398.97751	1.8
416.98633	3.8
417.99026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01879	0.8
56.96567	34.6
57.03422	1.9
61.02915	2.6
69.03429	11.3
69.43433	2.5
70.06586	2.1
71.04981	1.3
71.95223	0.7
73.02913	1.9
77.36012	0.7
81.03420	5.9
83.04971	0.6
84.96037	7.7
85.02905	31.0
87.04472	12.3
91.03921	1.6
92.44334	0.5
97.02897	11.8
98.23415	1.3
98.97584	100.0
99.04451	2.1
101.06020	0.8
102.05561	1.2
102.97028	1.0
105.03740	0.8
105.05489	0.8
109.02866	4.8
109.14047	0.6
110.96805	0.7
110.97569	15.1
111.08112	0.9
112.99139	3.9
115.03931	43.1
116.04261	1.1
116.98622	50.1
124.78214	0.7
124.99100	1.8
127.03922	15.2
128.98615	16.0
128.99519	1.3
130.93323	1.1
131.00177	3.6
133.04974	12.8
134.99664	15.3
135.00696	0.7
136.06183	2.3
140.00215	0.7
140.08534	0.6
140.98596	2.8
143.00148	13.1
144.98077	2.6
145.04959	14.1
146.99655	8.6
147.06500	0.8
148.46844	0.6
149.01247	1.8
150.25337	0.7
151.00679	2.4
151.03987	0.8
152.98651	1.7
153.00746	1.5
155.00153	0.9
157.04993	0.7
158.99669	9.8
161.01219	18.8
162.99197	2.3
163.06065	3.1
165.00594	0.7
169.01759	2.8
170.99637	4.4
172.94333	1.8
173.01279	1.4
174.99179	1.0
176.98724	2.2
177.00714	9.9
179.02307	4.8
181.04927	1.0
182.99663	1.8
187.02776	2.6
189.00673	4.0
190.95456	1.6
191.02200	1.0
194.99660	9.6
195.01518	0.8
199.99924	0.7
201.00702	7.1
204.98326	0.6
207.01840	1.0
213.00702	45.2
214.95290	1.1
218.99731	1.2
219.01756	31.5
220.01880	0.8
223.02641	0.7
228.96985	0.8
229.82414	0.7
231.01767	20.4
232.02016	0.7
232.96519	3.2
236.02203	0.8
237.02809	39.4
238.03278	0.9
239.02739	0.7
242.03380	1.0
246.98042	1.2
250.09393	2.5
250.97482	1.2
255.01726	4.4
255.03972	1.0
256.96414	5.4
259.08170	3.5
261.02887	2.1
267.01736	1.3
273.00430	1.5
273.02924	1.8
274.97507	37.6
275.98026	1.0
277.09027	5.2
278.17877	0.8
279.01450	1.4
279.04117	1.8
281.03360	2.8
285.02896	1.0
291.01669	5.0
292.98587	15.9
297.02832	1.4
299.04312	0.8
308.18460	1.1
309.02826	1.6
316.98724	0.9
321.02637	3.2
324.18213	0.9
327.00494	1.2
334.99564	1.1
338.19794	0.8
339.03812	14.6
345.11920	1.0
356.47537	0.7
356.98209	0.9
357.04874	21.1
358.05228	1.0
375.05850	3.0
380.20773	1.7
398.21561	10.1
399.06000	46.6
399.11880	4.0
399.21951	4.9
400.06482	1.5
400.19678	0.8
416.99207	0.9
417.01715	0.9
417.07028	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	399.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47849	11.5
61.49822	11.5
69.22047	71.5
75.03657	12.7
85.02904	19.8
95.71085	13.0
97.02905	42.3
98.97607	56.0
115.03921	18.4
136.06187	51.6
158.99709	38.6
170.99623	19.1
177.00719	19.7
187.93825	12.3
189.00710	16.8
215.45586	11.7
218.98601	12.4
219.01796	39.9
222.74321	15.2
228.96838	15.4
250.09381	45.9
254.95782	63.7
256.97189	19.6
272.96729	65.2
273.06439	14.4
279.03854	19.2
327.00446	21.5
337.00406	15.3
362.97705	13.4
380.98929	100.0
398.99731	42.1
399.06894	97.7
399.12277	39.3
417.00085	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01870	9.9
55.05511	1.7
55.85008	1.3
57.03440	6.3
57.07086	1.3
61.02932	8.3
67.05511	3.6
68.99811	2.7
69.03431	31.4
69.07070	2.3
70.06574	1.3
71.04992	6.9
71.08662	2.0
71.39160	1.2
71.50514	1.3
73.02917	9.5
79.05505	3.4
81.03422	29.5
81.07056	9.3
83.04969	1.4
85.02907	98.0
86.03250	1.4
87.00831	34.5
87.04473	3.6
89.03931	1.3
91.03944	5.0
91.05485	3.9
93.07033	11.9
95.04981	2.3
95.08606	8.9
97.02896	57.5
97.06540	6.5
98.03216	2.0
99.04465	19.9
99.08102	2.0
105.01868	37.4
105.07030	5.1
107.08580	4.5
109.02176	2.7
109.02885	33.2
109.06490	2.8
109.10159	2.8
110.40074	1.5
111.04440	1.6
115.03946	5.7
115.05300	1.1
116.04983	23.6
117.01862	5.3
117.05453	1.9
118.73936	1.5
119.08562	3.8
121.10134	3.2
123.08080	3.3
123.11704	4.3
126.76726	1.3
127.03918	100.0
128.04298	3.2
129.01851	5.0
131.08571	2.0
133.10130	3.8
135.11667	2.8
143.10715	1.5
145.04956	67.6
145.10139	3.7
146.05293	1.9
147.02873	3.5
147.11684	3.8
151.11163	2.4
154.47604	1.4
158.05988	2.6
159.02895	32.9
159.11688	4.0
163.11183	2.2
176.06952	1.4
177.03938	3.9
194.11743	1.5
194.28490	1.4
201.16428	5.6
213.03940	4.2
219.13904	1.7
219.17435	16.0
229.15698	1.3
231.05009	24.8
249.06059	4.6
355.08206	3.2
382.11502	1.5
398.72183	4.5
399.14340	4.5
399.19312	1.5
399.24133	2.1
400.21204	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	399.1447
Annotation	S-Adenosylmethionine
Peak:m/z	Relative Intensity
56.05037	17.0
56.05310	1.2
61.01155	5.5
67.10252	0.6
69.03426	7.1
70.06583	0.9
70.36141	1.4
74.02428	3.6
74.06090	6.1
75.02695	2.8
84.04497	2.3
84.08151	0.9
85.02924	0.9
86.09693	2.1
97.02894	73.1
98.03217	1.3
102.05541	33.9
110.07162	0.9
118.49924	0.7
135.05444	0.9
136.06183	92.3
137.06528	1.9
145.03178	3.2
150.07849	0.8
150.87308	0.7
154.94209	1.0
163.04231	2.7
189.03532	1.3
190.03702	0.7
250.09360	100.0
251.09636	3.9
264.08987	5.1
285.11145	2.0
286.03397	1.6
298.09695	19.6
304.03961	1.5
357.11127	1.2
399.01462	1.5
399.14392	2.3
417.11810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33746	0.6
53.03946	1.6
54.24680	0.5
54.66453	0.5
55.01869	1.7
57.03439	4.0
61.02927	4.0
69.03432	19.9
69.90785	0.8
69.91097	1.1
71.04992	1.9
73.02920	3.7
81.03428	9.8
85.02908	60.0
86.03236	0.9
87.04475	27.4
91.03960	2.3
97.02897	18.3
98.97594	1.6
99.04452	3.7
103.03951	1.0
105.05482	2.2
109.02881	9.6
115.03935	100.0
116.04280	1.9
123.06554	1.6
127.03918	32.0
133.03951	0.9
133.04970	26.2
136.06209	3.5
145.04965	28.8
146.05307	0.6
157.05057	0.6
163.06042	6.7
213.07709	1.1
219.01859	0.9
229.14366	0.6
241.07083	1.6
250.09248	0.6
259.08115	8.9
274.97513	1.6
277.09180	11.9
329.71341	0.6
339.03665	0.7
345.11792	2.1
363.12891	1.3
399.12845	0.7
399.22076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01873	2.0
55.05511	32.3
56.05833	0.6
57.03438	19.6
57.07076	31.2
58.07415	0.5
59.04994	1.3
59.23840	0.4
61.02928	1.7
65.03928	0.8
67.05504	25.7
67.75827	0.4
68.99787	4.2
69.03422	1.7
69.07068	46.5
69.22947	2.5
70.06583	2.8
70.07410	0.9
71.01354	0.8
71.04998	2.2
71.08631	18.4
73.06579	2.1
76.23222	0.4
77.03992	0.4
79.05494	11.1
81.07055	37.8
82.07375	0.9
83.04987	3.9
83.08618	33.6
84.08948	0.9
85.06533	2.7
85.09695	0.6
85.10181	9.0
87.08122	0.4
88.07633	4.2
91.05466	2.7
93.07044	18.3
94.07343	0.7
95.04950	0.4
95.08604	35.8
96.08942	0.7
97.02884	0.6
97.06533	12.1
97.10168	20.0
99.04517	0.6
99.08092	1.2
99.11715	0.9
101.06012	1.6
102.09177	1.7
105.07033	1.4
107.04948	0.4
107.08588	12.0
109.06535	1.1
109.10155	18.6
110.10484	0.7
111.04443	2.0
111.08079	7.6
111.11716	6.4
115.03929	0.7
115.07560	1.7
115.11213	0.5
117.05491	20.4
119.08558	1.2
121.09262	0.9
121.10144	16.3
123.08038	0.8
123.11705	7.4
125.05986	2.7
125.09622	6.4
125.13269	1.4
129.09138	2.3
131.08560	0.9
133.10132	1.3
135.11682	13.8
137.09616	0.8
137.13229	2.5
139.07526	1.3
139.11185	5.9
139.14821	0.4
143.10655	1.7
145.10124	0.5
147.11742	1.1
149.09673	0.6
149.13251	8.8
151.14824	1.2
153.09160	0.6
153.12708	3.9
157.12234	1.4
161.13295	0.7
163.14819	4.4
165.16408	1.2
167.10596	0.5
167.14313	3.1
171.13789	1.3
175.14838	1.1
177.16393	2.6
181.12206	0.4
181.15894	2.2
185.15414	0.7
189.16365	1.0
191.17900	1.9
193.15923	0.6
195.17479	1.7
199.16885	0.8
205.19632	0.9
207.17360	1.0
209.19044	1.6
213.18562	0.6
223.20618	1.6
227.49643	0.4
237.18477	0.5
247.24208	3.2
261.25760	4.6
265.25272	3.4
279.26785	5.8
280.27222	0.5
289.25232	4.3
307.22855	0.5
307.26331	9.8
307.29413	0.4
308.22379	0.4
308.26013	0.5
325.27386	1.4
338.34119	5.8
343.28406	26.3
344.28604	2.1
381.29950	15.8
382.30167	1.3
399.31039	100.0
400.31448	8.2
400.37814	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	399.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01878	1.6
55.05509	32.4
56.05844	0.5
57.03436	17.3
57.07073	34.1
57.93705	0.2
58.07415	0.5
59.04999	1.2
65.03935	0.9
67.05502	31.5
68.05839	0.5
69.03424	0.8
69.07064	48.2
69.58869	0.8
70.07401	1.0
71.04987	2.8
71.08627	21.4
72.08977	0.5
73.06548	2.2
77.03915	0.2
79.05489	13.2
80.05830	0.3
81.07052	42.3
82.07375	1.1
83.04976	3.5
83.08615	34.1
84.08961	0.5
85.06541	2.0
85.10178	11.0
87.04470	0.6
87.08115	0.8
88.95078	0.2
90.49662	0.2
91.05472	2.8
93.07038	21.2
94.07369	0.4
95.04970	0.8
95.08601	43.5
96.08934	1.0
97.06525	12.0
97.10162	23.6
98.10525	0.5
99.08086	1.9
99.11711	1.2
101.05999	2.1
101.09663	0.6
105.04567	0.4
105.07013	1.7
107.08588	17.2
108.08910	0.3
109.06530	0.3
109.10149	20.2
110.10477	0.6
111.08074	7.7
111.11710	6.6
113.09635	0.5
113.13251	0.5
115.07555	2.7
115.11229	0.2
117.06991	0.3
119.08567	1.5
121.10136	19.1
122.10480	0.8
123.08094	0.3
123.11697	9.1
125.09629	6.8
125.13271	1.2
127.11163	0.4
127.14789	0.3
129.09108	2.1
129.12753	0.4
131.08568	0.7
133.10136	1.9
135.11685	16.3
136.12035	0.5
137.09596	0.4
137.13249	3.8
139.11169	6.9
139.14795	0.5
140.11447	0.3
141.12723	0.2
143.10666	2.2
145.10022	0.4
147.11719	1.1
149.13251	9.6
150.13593	0.4
151.11200	0.5
151.14801	1.3
153.12724	5.0
153.13849	0.4
153.16344	0.3
154.13052	0.3
155.17876	0.3
157.12213	2.0
161.13228	0.8
163.14819	5.9
165.12714	0.3
165.16396	1.5
167.14291	3.8
168.14603	0.3
171.13785	1.7
175.14850	1.4
177.16380	3.9
179.14134	0.4
179.17929	0.7
181.15858	2.6
185.15347	1.4
187.14812	0.3
189.16379	1.4
191.17938	3.7
193.15881	1.3
195.17426	2.6
199.16866	1.4
205.19557	1.7
207.17389	1.3
209.19044	2.2
213.18483	0.9
213.22128	0.2
219.21118	0.6
223.16957	0.4
223.20564	1.8
225.18590	0.2
227.20023	1.2
237.18553	0.5
237.22090	0.7
241.21591	0.7
251.20032	0.5
261.25763	6.8
262.26074	0.4
271.24133	0.9
272.00616	0.2
279.26813	9.6
280.27158	0.7
287.65802	0.3
289.25211	6.6
290.25607	0.5
297.27884	1.0
307.26303	12.4
308.26654	1.2
325.27209	2.0
343.28400	42.6
344.28757	3.2
381.29956	14.5
382.30313	1.4
399.31021	100.0
400.31378	9.1
400.36951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01858	1.4
55.05260	1.8
55.05513	21.9
56.56448	1.2
57.03442	15.8
57.07077	32.4
67.05502	24.4
69.07068	38.2
70.69633	1.9
71.04991	2.6
71.08636	18.0
71.38180	1.3
73.06547	1.4
75.24509	1.2
79.05499	9.7
81.07053	38.2
83.04981	3.1
83.08619	32.6
85.06566	2.6
85.10181	11.0
86.10495	1.6
88.07618	1.8
90.23409	1.3
91.05489	2.7
93.07045	18.9
95.08609	41.5
96.08902	2.2
97.06532	8.8
97.10166	25.3
99.08098	1.4
101.06026	2.4
105.07040	1.5
107.08605	15.4
109.10159	20.9
111.08097	8.9
111.11722	7.2
115.07556	4.1
121.10136	19.8
123.11690	9.1
125.09649	5.8
129.09099	2.0
133.10167	2.1
135.11699	16.3
137.13246	4.1
139.11195	7.8
143.10667	1.6
149.13274	11.8
153.12772	5.3
157.12321	1.6
163.14908	6.9
163.16216	1.3
165.45348	1.4
167.14323	3.2
175.14851	1.4
177.16425	3.0
181.15878	1.7
191.17970	2.5
195.17484	2.8
207.17627	2.7
209.18951	2.4
220.00400	1.3
261.25766	5.4
279.26740	9.0
289.25229	6.4
299.05847	1.2
306.39566	1.3
307.26306	11.6
325.27585	2.7
338.33951	1.9
343.28448	42.9
344.28400	2.5
381.29831	9.6
399.17673	2.4
399.31064	100.0
400.31436	9.4
400.37811	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	399.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
55.22333	0.7
57.07080	9.3
67.05498	2.4
69.07078	2.8
69.94279	0.7
69.94604	2.0
70.06599	0.9
71.08633	7.3
81.07073	3.6
83.08609	1.5
85.10180	3.4
86.09707	100.0
87.04505	0.9
87.10020	1.2
88.07630	2.0
95.08608	5.0
97.10196	1.3
102.09192	0.8
109.10182	2.3
111.11779	0.9
114.09155	0.9
123.11674	1.5
132.10202	62.1
133.10527	1.5
142.93875	0.9
143.11777	11.3
171.11368	1.8
173.79314	0.8
184.04852	0.7
189.12352	7.5
211.20601	9.6
240.23201	8.3
268.22733	17.4
338.34216	1.2
399.18018	4.3
399.30902	2.4
400.18439	0.9
400.37845	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	400.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
69.03428	1.0
69.15477	2.4
70.06581	0.7
79.05477	0.6
81.07052	1.4
91.05486	6.7
95.04953	0.4
95.40201	0.4
95.62574	0.4
103.05476	0.6
105.07034	2.4
107.05004	0.6
115.05464	0.7
117.07024	1.8
119.04942	6.6
119.08578	1.6
121.06516	4.4
129.06999	1.1
131.08517	0.7
133.06493	19.9
133.10121	0.5
137.05962	2.9
142.07788	2.2
147.08047	0.5
147.11678	0.8
150.05573	1.0
155.03436	0.6
157.10132	16.2
158.10533	0.8
160.08850	0.8
162.05476	0.7
175.11186	100.0
176.11520	4.9
188.10704	0.6
197.15224	0.4
202.08670	0.8
216.10190	0.5
232.09738	0.7
246.11279	0.6
246.14992	0.4
247.77361	0.4
274.14371	1.1
302.13986	0.7
325.86725	0.5
339.85382	0.4
354.17035	1.1
356.18738	0.6
372.17593	0.6
400.17526	11.8
401.17874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04319	0.2
53.03904	0.2
56.18407	0.2
63.84794	0.2
65.03932	0.2
69.03422	0.8
69.46021	1.0
81.03399	0.6
85.02895	0.9
85.35119	0.2
86.24423	0.2
87.00825	0.3
91.05477	4.1
97.02899	1.3
99.04458	0.4
105.01908	0.2
115.05454	11.8
117.07016	100.0
118.07344	3.8
127.03921	1.3
145.04964	0.8
150.09369	0.2
154.82976	0.2
194.15187	0.2
231.05089	0.6
231.77554	0.2
338.02026	0.2
382.23624	0.9
391.98660	0.2
393.68631	0.2
400.17044	0.3
400.24710	7.6
401.24786	0.3
421.63843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54300	0.1
55.01859	0.1
58.07766	0.1
59.92430	0.1
61.02924	0.1
65.03944	0.1
69.03413	0.3
71.62091	0.1
73.02906	0.1
81.03417	0.4
81.07081	0.1
85.02903	0.6
87.00837	0.3
91.05479	4.2
92.05801	0.2
97.02891	0.3
98.22688	0.2
99.04404	0.2
105.01865	0.2
106.59573	0.1
108.04486	0.2
109.02849	0.3
115.05457	11.2
116.05758	0.3
116.06369	0.1
117.07016	100.0
118.07346	4.2
118.33408	0.1
126.05573	0.1
127.03915	0.7
129.50229	0.1
145.04933	0.2
150.01820	0.1
159.02928	0.1
231.04910	0.2
356.08530	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	400.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12616	0.8
53.03954	7.2
55.01872	10.4
56.57386	0.8
57.03434	7.0
60.04529	1.8
61.02931	5.1
65.82342	0.9
68.99796	3.1
69.03432	30.8
69.03804	1.8
71.04993	5.1
73.02924	10.4
81.03417	29.9
81.03902	1.5
83.06438	0.8
85.02906	100.0
86.03249	1.1
87.00832	36.8
91.03962	3.2
97.02893	39.0
99.04462	20.2
103.03931	1.3
105.01869	33.6
107.04915	1.0
108.04494	8.6
109.02882	31.9
115.03911	1.8
117.01837	5.0
117.07027	2.0
126.05532	4.7
127.03918	76.8
128.04242	1.9
129.01813	5.2
135.08109	1.1
141.01689	1.0
145.04962	46.8
145.91682	0.9
147.02895	4.5
159.02888	28.1
161.53566	1.0
171.02927	1.0
177.03918	2.6
189.03981	5.0
190.13924	0.9
201.09111	1.6
213.03972	3.9
230.06566	2.2
231.04996	17.6
232.05367	0.9
243.10130	1.4
248.07765	4.0
249.06055	2.0
266.08661	1.3
299.84558	0.9
315.25461	0.8
385.37991	0.9
400.16891	4.0
400.24893	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	400.1756
Annotation	1-Methoxyallocryptopine
Peak:m/z	Relative Intensity
52.21339	0.6
54.66370	0.6
55.01878	3.5
69.03436	3.9
69.13851	1.8
69.14254	3.1
79.05479	1.4
79.70333	0.8
80.04996	0.8
81.07024	0.8
81.78945	0.7
86.06073	0.7
91.05457	1.2
92.20786	0.6
97.06525	1.1
99.04416	1.0
106.06544	1.1
107.07305	0.8
117.06989	1.3
119.04915	0.9
125.05953	2.2
129.89905	0.7
131.08472	0.8
132.08041	0.9
133.55739	0.8
144.08078	1.1
146.09702	0.7
148.07657	1.0
148.11220	6.2
150.09113	1.5
158.09642	1.8
162.09134	2.8
164.65288	0.9
172.07545	1.0
172.11195	2.0
174.09149	6.8
175.08794	0.8
175.09947	8.6
176.10713	2.9
186.09125	2.6
188.10725	1.5
190.81747	0.8
200.10596	3.5
204.10204	11.1
205.10727	0.9
228.13808	2.8
246.14905	2.5
256.13373	3.9
258.15106	0.9
274.14368	100.0
275.14728	6.0
302.13861	75.5
303.14395	8.9
304.15353	1.0
316.19119	1.0
328.19113	1.4
354.16968	1.7
356.18597	1.1
372.17926	1.2
382.16479	1.8
400.17535	85.7
401.17914	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	400.1756
Annotation	1-Methoxyallocryptopine
Peak:m/z	Relative Intensity
56.73518	3.6
57.89542	2.8
69.03439	3.2
76.98445	3.7
105.05505	3.6
133.61440	3.6
145.57973	3.3
156.45966	3.4
174.09143	6.4
175.09865	5.7
200.10693	4.8
204.10204	6.5
226.09671	3.3
274.14355	69.5
275.14716	3.5
302.13867	52.4
303.14514	7.9
354.16940	4.3
382.16412	4.6
400.17520	100.0
401.17801	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1757
Annotation	1-Methoxyallocryptopine
Peak:m/z	Relative Intensity
60.89349	0.6
67.01878	1.5
67.05511	1.8
69.03433	1.8
69.86864	1.5
69.87258	1.3
70.06598	0.9
71.05007	0.9
73.06577	0.6
77.44762	0.6
79.05495	1.2
80.05016	1.5
83.01358	0.7
84.04511	1.9
85.02906	3.0
91.05492	2.9
93.07045	1.1
95.08601	1.4
98.23318	1.0
99.04472	1.1
105.07044	2.3
106.06541	1.5
107.04976	0.6
107.07355	1.2
107.08558	0.6
107.89175	0.6
109.06546	1.0
110.02359	0.6
110.06023	2.8
110.44097	0.6
111.08058	1.0
117.07010	0.8
119.08574	0.7
120.08118	1.1
121.06500	1.5
122.06049	1.0
123.08044	0.8
124.07541	0.9
127.71194	0.6
129.07010	1.6
132.08101	2.0
133.06520	1.8
134.09659	1.6
135.04317	0.7
136.07597	1.9
137.05997	0.7
138.05440	1.5
140.07095	0.7
145.06476	0.8
145.10106	1.4
146.09685	0.7
147.08003	1.0
148.07675	0.9
149.04701	0.9
149.05902	0.8
150.05505	27.7
155.03435	2.6
155.07233	0.6
155.08502	1.3
157.10127	2.9
158.09637	1.6
160.07558	1.4
160.11232	2.5
161.09671	0.9
162.05499	14.2
163.06248	1.9
164.07083	2.5
165.05519	1.2
167.07047	4.1
170.09494	0.8
172.11266	0.7
173.09637	1.6
174.09137	2.4
174.12746	0.9
175.06270	4.1
175.11177	7.9
176.07042	3.2
176.10683	1.0
177.09169	1.0
178.08582	0.7
180.06577	1.5
183.06621	1.0
186.09183	1.2
188.07104	3.1
188.10701	1.5
189.07814	0.9
189.12753	7.2
190.08586	3.0
200.07034	1.3
200.10689	1.0
201.09232	1.0
202.08621	20.1
202.11977	1.1
203.07632	0.6
203.09331	4.0
204.10167	2.1
205.12204	1.7
207.06557	0.7
214.08629	1.5
214.12199	0.7
215.10635	2.3
216.10197	9.7
217.10918	2.3
218.09656	0.9
218.11713	4.2
224.10558	1.0
228.10170	0.8
230.11877	1.7
232.09703	2.1
233.11763	4.6
234.11078	1.2
238.12273	0.9
242.11763	2.1
244.13374	3.1
246.14970	2.1
266.11777	0.7
274.14426	1.3
302.13904	2.1
303.14587	0.8
324.15991	2.1
326.13773	1.7
342.13187	0.7
354.16898	0.8
356.18500	2.3
364.15359	1.3
372.17941	1.0
382.16510	6.2
400.17529	100.0
401.17865	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	400.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01853	1.8
57.03436	4.9
61.02919	5.3
69.03425	23.3
70.51237	2.3
71.04981	3.6
73.02912	4.7
81.03413	11.4
85.02903	71.1
86.03236	2.0
87.04469	21.2
89.06041	2.1
91.03967	2.7
97.02888	22.5
97.37516	1.4
98.22789	1.4
99.04453	4.4
104.03954	1.5
104.88190	1.4
106.06580	1.8
107.07031	2.4
109.02863	10.7
115.03928	100.0
115.37682	1.6
116.04258	2.2
127.03905	39.3
131.18147	1.2
133.04964	31.7
134.06075	1.7
137.79918	1.3
145.04951	41.0
159.80731	1.7
163.05998	7.3
187.05978	1.6
200.61971	1.4
224.62141	1.4
238.14323	6.9
241.07143	2.1
251.11134	1.7
254.07446	1.4
259.08118	13.4
277.09167	30.9
278.09558	1.6
301.37228	1.4
331.58960	1.4
347.13260	5.7
372.17664	1.9
382.22003	2.8
400.17648	5.0
400.23279	5.4
418.85144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
54.71320	1.2
55.45074	1.3
55.77728	1.1
57.03442	4.0
61.02939	6.7
65.09815	1.2
69.03432	20.5
69.45560	2.9
69.45953	3.2
71.04996	4.0
72.08141	1.4
73.02920	4.0
81.03423	10.0
85.02908	74.7
85.29009	1.3
87.04472	26.2
87.11955	1.2
89.06036	3.1
91.03948	3.9
91.41135	1.3
97.02885	20.5
99.04458	5.0
100.26694	1.3
109.02883	9.4
115.03932	100.0
117.05515	1.6
124.11201	2.2
127.03915	40.6
133.04965	36.1
145.04964	38.4
150.92763	1.1
163.05983	10.8
238.14537	1.9
241.07100	2.0
251.11314	1.9
259.08105	14.0
277.09195	36.7
278.09427	2.5
347.13397	9.2
400.17776	9.5
400.23178	6.8
401.14148	2.1
414.85641	1.4
424.78061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76523	1.4
53.03957	1.6
55.01872	2.0
57.03440	4.6
60.40263	1.3
61.02928	7.9
69.03433	24.2
69.38451	4.7
69.38850	2.3
71.05003	3.9
73.02923	4.7
75.28501	1.2
75.29747	1.3
81.03426	13.5
85.02908	75.9
86.03246	1.6
87.04470	22.4
89.06096	2.4
90.24885	1.1
91.03967	5.3
97.02897	22.5
99.04465	5.5
101.02409	1.4
103.03969	1.8
107.07057	2.7
109.02891	10.5
112.99343	1.2
115.03939	100.0
116.04277	2.4
120.97646	1.2
124.07581	2.0
126.46134	1.4
127.03927	38.0
127.04874	2.3
133.04970	36.9
145.04970	42.7
146.05353	1.3
163.06042	9.7
167.47096	1.2
197.08026	1.6
201.68909	1.1
203.09062	2.5
241.07147	3.3
251.11250	1.3
257.69144	1.2
259.08136	13.0
266.61987	1.5
277.09207	37.2
288.09570	1.4
347.13388	5.2
365.14615	1.9
400.23587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.5
56.96547	7.0
62.50265	4.8
65.43517	4.7
67.05492	19.2
69.03420	4.3
69.07046	6.5
70.06600	5.4
71.08627	18.5
79.05487	25.3
81.07043	22.1
90.13495	5.1
91.05445	10.6
93.07035	24.1
95.04954	6.7
95.08594	18.5
99.08105	15.0
105.07030	10.6
107.08584	15.5
109.10162	8.2
119.08538	5.9
121.10145	13.5
135.11684	15.9
149.13229	8.8
151.11234	7.5
161.13280	8.4
178.33885	5.0
179.14299	50.8
194.32710	5.2
274.14117	5.0
277.21634	44.5
311.02103	4.7
351.25317	100.0
352.25601	6.3
400.17288	16.7
400.36951	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	400.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61530	1.9
55.05505	3.5
56.96566	6.0
57.03447	3.9
67.05206	1.6
67.05511	13.9
69.03433	2.1
69.07063	5.5
70.06602	1.6
70.16148	3.7
70.16483	1.8
71.08636	16.1
78.01353	1.3
79.05494	14.0
81.07066	16.9
83.01342	2.9
83.04971	2.9
83.08604	3.6
85.02899	3.6
87.29118	1.4
91.05474	10.9
93.07046	18.8
95.04967	4.8
95.08611	11.8
96.81615	1.4
97.06578	3.6
98.97581	2.9
99.04457	4.6
99.08089	10.4
105.07043	6.5
107.04989	3.3
107.08596	10.8
109.10150	3.8
119.08591	6.8
121.10129	9.6
123.58120	1.5
133.10146	4.9
135.11716	11.8
149.13242	2.8
151.11214	5.9
155.03395	36.6
158.44675	1.5
161.13274	5.8
162.12781	3.2
163.11166	2.1
179.14308	32.7
186.12814	1.7
188.10742	3.4
203.63976	1.6
228.13890	2.4
246.14865	10.6
277.21631	22.3
278.21982	1.6
297.20944	7.4
315.22003	2.5
351.25287	100.0
352.25671	7.0
400.17215	9.2
400.27304	8.9
400.35809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57637	0.5
52.92685	0.5
56.49146	0.5
56.96338	0.6
56.96571	6.9
62.19312	0.5
64.80116	0.5
69.56062	1.8
71.95255	0.6
96.91477	0.5
98.97584	100.0
99.97918	0.9
100.97169	0.6
116.98624	49.6
134.99657	13.5
135.52069	0.5
140.00261	0.8
153.00688	1.1
172.94347	1.0
174.97729	0.7
181.97440	0.5
190.95496	0.6
216.98854	1.5
219.01939	1.0
232.96368	1.0
234.99797	2.6
240.98654	5.9
250.97383	0.7
256.96475	2.6
258.99768	69.4
259.99951	6.0
260.99799	1.5
261.03098	1.9
263.03113	0.8
274.97552	14.8
275.97885	1.7
277.00812	69.2
278.00964	5.7
279.00772	1.2
282.99951	3.1
284.00165	1.2
284.99792	3.9
285.99963	1.0
292.98553	7.1
293.98877	0.6
294.98822	1.1
298.97797	0.9
299.97906	0.6
300.02347	0.9
301.00906	3.4
302.01086	0.9
303.00842	5.4
304.00873	0.8
305.00510	0.9
316.98981	1.0
317.98495	0.6
318.98676	0.7
340.99023	0.7
353.78897	0.6
358.99741	0.9
359.03571	4.0
359.99771	0.8
383.00021	6.3
383.99994	0.9
401.01016	24.9
401.27191	0.5
402.01242	4.7
418.97449	1.1
419.02740	3.6
420.02258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Gomisin R
Peak:m/z	Relative Intensity
59.11143	1.1
65.03949	1.8
69.03445	2.5
70.14056	3.5
77.03952	3.3
77.50761	1.4
78.04707	1.9
79.05492	17.8
81.07062	4.8
85.02898	1.4
91.05488	9.8
93.07056	3.7
94.04201	2.1
95.04977	6.6
96.72139	1.1
97.02911	1.4
99.36923	1.4
103.05488	1.6
105.04517	2.2
105.07047	4.3
106.04159	1.9
107.04958	37.0
107.08601	3.5
109.02911	1.7
109.06543	1.9
115.05469	4.5
116.06245	3.3
117.07019	2.2
121.06538	3.4
122.03657	1.5
123.04414	5.9
124.05200	5.6
125.05999	3.2
127.03948	1.5
128.06235	4.5
129.07011	8.8
131.04971	1.9
131.08539	10.9
132.05751	2.1
133.06589	2.6
134.09732	1.3
135.04459	2.3
135.11693	1.5
135.36530	1.3
136.94597	1.3
137.06049	2.0
141.07019	6.0
144.05768	7.2
145.06535	5.9
145.10077	1.3
146.03624	1.7
149.06090	2.1
152.04671	4.8
153.05504	2.9
153.07051	1.6
156.05690	23.7
157.06496	5.3
158.07312	1.8
159.08054	16.1
161.06021	3.2
163.03929	5.2
165.06886	1.5
167.07050	100.0
168.07401	3.8
169.07692	2.2
172.05194	1.8
173.05978	4.0
175.11177	1.3
177.05507	3.1
179.07140	1.9
181.04996	2.0
181.06503	2.0
181.08606	4.0
182.07242	2.7
183.06522	1.7
184.05220	7.8
185.06023	1.8
186.06799	2.4
187.07513	11.7
189.05463	1.6
190.06270	4.9
190.07808	2.9
191.07053	1.5
191.08588	2.5
193.06602	1.4
193.08650	2.2
194.07318	1.7
195.06538	4.7
202.06255	9.9
202.07794	2.2
203.08659	2.1
204.07777	1.5
205.06683	2.7
205.08586	21.0
205.10402	1.5
207.06422	10.7
207.08246	1.3
207.09975	1.1
208.05220	12.3
208.08867	1.5
209.06146	2.0
209.08029	2.8
209.09789	1.4
210.06841	3.0
211.07639	3.1
215.07013	3.6
217.08606	69.8
218.07300	5.2
218.09094	2.9
219.08089	11.3
219.10223	11.4
220.08778	6.2
221.05946	5.0
221.07899	1.7
229.08647	4.9
231.08052	9.2
231.10115	2.8
232.08780	3.4
233.05901	2.3
233.09703	5.0
234.06879	2.1
234.10460	2.3
235.07632	4.0
236.04669	4.2
236.08363	4.2
237.08937	2.0
238.06287	3.3
239.07063	2.7
240.04088	2.4
241.05026	2.4
241.08653	2.2
245.09702	3.5
246.06763	2.5
247.07507	12.6
247.09718	23.8
248.08270	13.0
249.05545	3.1
249.09120	3.4
250.06331	2.2
251.07071	1.5
251.10808	2.4
254.05737	5.4
255.06615	3.3
256.07211	2.9
258.06683	1.8
259.07544	3.0
261.08963	6.2
261.15042	1.6
262.10013	5.0
263.07211	2.1
263.10699	10.6
264.07779	6.1
265.08481	6.6
266.05807	2.0
267.06567	3.2
269.08102	12.1
271.06207	1.4
271.06772	1.6
271.09708	11.4
272.06787	2.3
273.09259	1.9
275.07123	4.5
276.07901	7.5
277.08597	4.3
278.05804	1.2
278.09354	2.5
279.07318	1.4
279.10025	7.2
280.10519	1.5
281.07932	1.9
282.05466	1.8
282.08835	7.9
283.06097	1.9
284.06650	3.1
285.07684	2.9
287.09274	3.0
289.08533	1.4
290.09363	4.9
291.10156	16.4
292.07202	3.3
292.10327	1.9
293.08090	9.7
294.08582	2.8
295.06387	1.4
295.09613	1.4
296.10599	2.3
299.06158	1.9
299.09091	8.4
300.06430	2.1
300.09915	1.7
301.07065	4.7
305.08072	3.3
305.11481	1.9
307.09625	9.1
308.10306	9.7
309.11063	2.1
310.08481	3.2
311.12878	3.3
315.08615	34.6
316.09219	4.0
319.09659	9.1
320.10208	1.6
321.07584	4.2
321.11172	2.6
322.08353	2.7
323.12775	18.4
324.13077	1.6
328.09552	1.9
330.10965	40.2
331.11679	21.4
336.09973	7.0
337.10767	5.5
339.12210	12.7
341.13971	1.9
343.11621	8.6
351.12302	33.1
352.12820	7.1
353.10236	5.4
356.12485	3.6
357.13043	1.7
368.08380	1.8
368.12415	10.0
369.13226	4.8
371.14850	8.0
373.16422	1.8
383.14896	57.4
384.15228	4.2
398.86481	1.5
401.16068	27.7
401.21390	4.3
402.15518	1.6
402.19092	2.1
402.23218	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01867	11.2
55.05496	2.4
57.03426	5.5
57.07085	2.1
65.03934	3.2
67.05506	9.5
68.95554	1.4
68.99810	1.9
69.03430	26.4
69.07067	3.3
70.53474	2.0
71.04981	5.3
71.08634	8.1
79.05486	13.9
81.03416	18.7
81.07059	26.3
82.43928	1.6
85.02903	16.5
87.21455	1.4
91.05480	23.4
93.07037	5.3
94.49397	1.4
95.04979	11.1
95.08602	3.6
97.02901	9.8
98.22764	1.8
99.04476	3.0
99.08093	7.3
101.48536	1.5
103.05457	3.9
105.04488	2.2
105.07018	11.6
107.04946	26.0
107.08587	5.4
109.02878	7.6
109.06524	23.1
111.04443	2.1
115.05484	3.8
117.07030	6.9
119.04950	5.1
119.08579	33.8
120.53784	1.5
121.06506	14.2
122.09682	2.9
123.04430	84.7
123.08060	2.9
124.04755	1.8
125.05978	2.7
127.03912	7.1
128.06168	3.1
129.07002	3.1
131.04927	4.8
131.08574	3.1
132.58469	1.4
133.06497	4.5
133.10144	1.9
135.04427	16.4
135.08046	7.6
137.02385	2.1
137.05975	66.5
138.12799	1.8
139.07559	3.9
145.06474	7.7
147.04407	28.3
147.08086	4.0
149.06009	10.3
151.07539	33.9
152.08339	13.8
153.09081	9.2
153.12711	2.1
156.05663	2.3
158.07248	2.3
159.04375	2.2
159.08083	4.0
160.05154	2.1
161.05975	21.6
162.06677	1.7
163.03923	4.4
163.07533	7.0
165.07047	3.5
165.09108	43.0
166.09406	2.1
167.07057	8.9
167.08405	1.5
169.06476	3.9
171.08131	1.8
173.06024	5.5
173.09688	2.0
174.06694	3.6
175.07533	27.2
176.08200	3.2
177.09154	8.9
178.06255	2.9
178.09892	5.4
179.07106	2.4
179.10677	2.7
181.05028	1.7
181.06503	3.8
183.06499	1.8
183.08157	2.0
183.18353	1.6
185.05968	3.5
187.07579	4.8
188.08304	4.8
189.05440	3.6
189.09087	14.4
191.10692	5.8
193.08556	1.8
194.07208	2.1
195.08069	3.9
196.08736	3.0
197.05927	3.1
198.06741	3.6
199.07523	3.8
200.08386	2.0
201.05482	3.0
201.09065	9.0
203.06969	2.3
203.10626	7.4
205.08632	3.1
209.09622	2.0
210.06822	1.8
211.07529	5.8
212.08318	5.1
213.05544	2.8
213.09076	4.2
214.06313	2.5
214.09856	2.3
215.10609	6.3
216.07730	1.6
217.08600	7.1
219.08311	2.2
221.05914	2.2
223.75143	1.6
224.08313	2.7
225.09140	6.3
226.09868	2.2
227.07010	5.0
227.10617	8.0
228.07831	2.2
229.08633	10.1
230.09380	5.1
231.10147	7.5
234.06773	2.1
234.14914	5.0
235.07445	2.2
237.09048	3.3
238.06232	2.1
239.07036	2.2
240.07835	4.6
241.08517	3.7
242.09468	3.2
243.06323	1.9
243.10153	19.9
247.07469	2.9
247.09824	3.9
249.11255	2.2
251.07095	2.6
253.08575	4.5
254.09384	4.8
255.10294	7.8
257.07938	2.0
257.11740	2.0
258.08813	1.9
259.09726	6.1
262.18021	2.4
263.07007	1.9
265.08548	4.9
266.09283	3.1
269.08264	1.5
269.11734	5.9
270.08719	2.4
271.09671	4.3
273.11337	11.0
275.12814	10.6
276.07800	3.2
277.08539	5.5
277.11484	1.8
278.09357	3.3
279.10168	3.6
281.08127	2.9
281.11371	2.4
283.09647	6.7
284.10434	3.5
285.11212	69.7
286.11575	5.1
287.12772	89.4
288.13065	5.4
290.09402	3.7
291.10095	6.3
293.08084	62.2
293.11475	4.1
294.08813	46.2
295.09482	6.6
295.13107	2.0
296.10419	10.3
297.11197	17.1
299.12823	7.1
301.10757	6.1
301.14441	5.9
303.10126	2.0
305.08136	2.2
305.11722	3.9
306.12582	2.4
307.09589	7.0
308.10474	5.6
309.11203	100.0
310.11557	6.1
311.12717	10.3
313.14471	8.5
315.08676	2.7
319.09604	2.0
320.10278	1.9
321.11166	2.9
323.12723	22.7
325.14447	3.2
327.15671	2.1
330.11041	4.6
333.11206	3.4
334.11829	2.3
335.12628	12.7
337.14279	6.0
341.13824	13.3
347.12750	3.9
351.12265	5.7
353.13837	17.8
355.15363	4.1
365.13870	41.9
366.14148	4.7
371.14868	4.4
383.14886	46.4
384.15311	3.6
388.21149	23.0
401.11475	2.7
401.15921	23.1
401.20416	3.2
402.20856	30.5
414.19061	2.4
416.20572	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	401.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.7
53.03950	3.1
55.01870	2.0
55.05519	13.9
57.07070	6.0
60.04531	16.8
61.04847	2.0
65.03934	3.1
65.98606	1.9
67.05505	24.4
69.07067	17.1
70.60890	3.0
71.04990	12.7
79.05491	27.4
81.07061	46.5
82.07400	2.3
83.08611	6.8
85.06516	2.9
88.07633	3.5
91.04939	3.5
91.05486	46.7
93.07050	57.2
95.04987	11.6
95.08611	32.0
97.06499	2.4
103.05460	5.0
105.04516	4.6
105.07027	91.1
106.07388	3.3
107.08601	41.4
109.06522	58.8
109.10166	18.7
111.08085	9.0
115.05428	6.2
117.07017	26.2
119.08585	81.1
121.10132	16.7
123.08070	4.8
123.11668	3.4
128.06229	14.8
129.07005	17.1
130.07770	7.9
131.08571	59.9
133.10132	85.2
134.10445	3.9
135.08054	14.8
135.11685	20.4
137.09599	8.5
140.06323	2.0
141.07028	10.0
142.07790	29.0
143.08577	41.6
144.09367	10.7
144.13844	4.7
145.10126	100.0
146.10510	3.5
147.08051	6.6
147.11681	17.4
149.09612	4.3
153.06996	5.8
154.07809	2.9
155.08589	18.0
156.09346	19.1
157.10141	62.1
158.10901	12.0
159.11707	32.2
161.09604	6.0
161.13220	3.0
163.11029	2.3
165.06973	5.2
166.07840	4.4
167.08546	9.2
168.09334	11.7
169.10146	22.1
169.16258	2.1
170.10857	11.1
171.11690	28.5
172.12384	3.6
173.13257	38.9
175.11179	3.8
175.14775	14.4
179.08542	9.1
180.09338	6.2
181.10109	14.4
182.10895	6.7
183.11655	20.1
184.12451	4.9
185.09633	3.0
185.13274	13.9
187.14818	36.7
192.09291	5.0
193.10159	10.4
194.10889	9.4
195.11723	21.9
196.12381	6.6
197.13287	16.6
198.13519	2.1
199.11188	2.1
199.14786	21.3
201.12688	4.5
201.16399	3.4
203.08624	2.0
205.10172	2.2
206.10875	9.0
207.11702	13.4
208.12334	2.9
209.13258	26.4
210.13936	3.0
211.14825	13.8
213.12775	3.1
219.11621	4.2
220.12390	3.2
221.13194	16.7
222.13901	5.0
223.14748	11.2
225.16475	3.8
227.14227	2.2
231.11740	2.3
233.13205	3.9
234.14772	2.4
235.14740	6.7
237.16318	5.9
239.17854	2.3
245.13223	2.1
246.14134	2.3
247.14919	3.7
249.16463	2.9
251.18016	6.8
252.18643	2.8
261.16385	4.4
262.17789	3.4
263.17914	7.4
265.19458	7.1
266.20236	2.5
275.17862	2.5
277.19403	3.8
301.29324	3.2
317.22702	2.4
358.26596	3.1
367.72174	2.5
388.20923	3.8
400.37729	3.0
401.20367	2.6
401.28247	29.7
401.38159	8.5
402.20596	8.0
402.39200	4.4
416.20886	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.05034	0.6
56.96596	0.4
57.03440	1.0
60.05647	9.4
68.05029	2.1
69.03430	1.3
69.07066	2.0
69.12146	2.1
69.12563	0.7
70.06590	90.6
71.04990	7.2
71.06934	1.2
72.08156	1.3
79.05495	0.6
80.05023	0.7
81.07064	0.5
82.06597	0.5
84.04512	0.7
84.08153	1.5
85.02910	1.4
85.07689	0.6
86.09705	21.1
88.07631	3.6
88.50517	0.4
91.05476	0.7
93.07096	0.5
94.06601	0.5
95.06107	0.5
97.02891	0.9
97.07668	1.1
98.06055	2.7
98.21695	0.4
99.04458	3.0
105.07033	0.5
107.08628	0.6
110.06073	0.6
110.07156	0.9
111.07397	0.4
112.07590	1.5
112.08725	23.7
113.07161	0.6
115.08693	4.1
116.07128	0.5
122.09671	0.5
125.09584	0.9
129.10249	0.6
132.10182	0.9
134.09566	0.5
136.07570	1.2
136.11250	0.5
138.12788	1.6
140.08163	5.8
145.05006	0.5
146.05995	0.5
148.07581	0.6
151.03961	1.0
154.08617	0.8
154.12291	0.9
157.10852	8.1
158.09262	1.0
160.07509	0.9
162.09059	0.3
164.07060	3.6
166.08612	0.4
166.12312	1.4
167.31752	0.4
168.13882	0.5
174.12846	0.5
175.11919	4.3
176.07071	0.5
176.14352	0.4
182.08109	0.4
182.16559	1.6
183.14937	8.1
190.04987	0.6
202.12292	0.8
204.10251	0.7
208.14461	1.3
210.16017	2.3
211.14447	1.3
220.13330	2.9
221.88538	0.4
222.07751	0.7
222.14902	1.3
225.17088	20.8
226.17493	1.0
228.17021	1.0
229.15559	2.4
232.13269	0.9
236.14032	0.4
238.18050	0.7
242.19830	3.1
245.18559	1.1
246.14932	1.2
250.14410	1.9
253.16631	1.6
254.15038	0.4
264.15970	4.1
270.16992	0.5
270.19324	3.2
271.17609	6.0
280.19138	0.8
288.15976	1.0
288.20282	9.9
289.20831	0.8
290.17761	0.6
296.18622	0.9
298.72025	0.5
306.16885	2.0
314.19635	1.4
316.15515	1.5
334.16504	0.8
338.19598	2.7
342.24100	0.8
348.18057	0.6
356.20679	14.1
366.19028	9.1
370.83942	0.4
384.20245	3.0
384.26062	5.3
401.14343	7.7
401.28690	100.0
402.14526	0.5
402.21420	4.5
402.28998	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	401.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
57.03439	50.8
57.07076	1.3
59.98021	0.3
61.02929	11.3
66.66370	0.3
67.05507	4.3
69.07076	3.4
69.21711	1.2
71.08638	0.6
74.26894	0.2
75.04472	1.8
79.05508	0.6
81.07061	5.5
81.43900	0.3
83.08624	3.1
85.10173	0.4
91.05453	0.3
91.26288	0.3
93.07044	0.4
95.08607	6.0
97.10156	3.5
98.23450	0.5
109.10166	3.3
111.11745	1.5
111.61028	0.3
117.05495	100.0
118.05835	2.0
123.11731	1.7
137.13269	0.9
191.97769	0.3
249.25790	0.6
267.26779	0.4
285.28156	0.3
365.21606	0.3
383.31564	5.9
384.31815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17376	1.8
51.26823	1.7
53.03931	4.1
55.05511	66.1
55.73854	2.1
57.03446	20.2
57.07078	27.4
58.71830	2.0
59.04980	2.4
65.03947	1.9
67.05505	77.8
69.07068	84.5
69.65814	7.4
71.04994	3.0
71.08621	10.1
73.06541	2.2
79.05485	12.0
80.94869	2.7
81.07058	86.5
83.04923	2.9
83.08620	64.3
83.09103	4.5
85.06548	5.1
85.10188	5.7
91.05449	4.9
93.07043	15.9
95.08607	100.0
97.06540	5.6
97.10170	52.2
97.10808	2.3
101.98821	2.0
103.19843	2.0
105.07036	6.8
107.08604	9.1
109.10165	39.5
111.08092	5.0
111.11726	26.4
119.08566	5.0
121.10172	16.2
123.07991	2.1
123.11692	12.4
125.09639	4.1
125.13278	5.3
133.06107	4.8
133.10149	6.1
135.11688	9.5
137.09595	2.9
137.13292	6.6
139.11203	5.6
147.11661	3.9
149.13220	4.7
153.12709	2.3
161.13240	3.7
163.14836	4.1
175.14886	4.2
177.16402	3.8
179.14299	4.0
180.89488	2.7
181.15871	2.6
189.16411	2.3
193.15950	3.2
209.18930	2.6
221.18973	2.7
235.20648	4.4
267.15439	2.2
273.25800	8.9
291.26788	20.5
304.26346	3.8
309.27823	14.9
365.30801	2.7
383.18793	2.6
383.31549	28.8
384.31900	3.3
392.67102	2.1
397.09256	2.4
401.27863	2.9
401.32614	63.7
402.19073	3.0
402.32922	3.0
402.39743	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	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01872	8.1
57.03435	5.5
60.34972	0.6
61.02927	5.4
68.99779	2.9
69.03426	35.9
69.40481	3.1
71.04989	3.7
73.02916	4.6
81.03417	22.3
81.07048	0.8
83.01339	1.3
85.02903	100.0
86.03249	1.5
87.00831	42.6
91.03972	1.6
91.05499	5.5
97.02893	30.4
99.04457	13.3
103.03914	0.8
105.01868	71.3
105.07037	1.3
108.04466	2.1
109.02881	26.3
115.03920	1.7
117.01842	2.6
117.07018	1.6
119.08575	3.2
126.05515	1.4
127.03914	75.3
128.04256	1.8
129.01851	3.4
144.06703	0.7
145.04951	36.4
147.02924	1.7
159.02875	15.2
171.08176	0.8
176.14319	2.3
177.03978	1.0
189.03984	3.4
195.92152	0.7
212.05515	0.9
213.03951	2.9
225.27303	0.8
231.04994	26.2
232.05180	1.0
245.11838	1.4
248.07631	1.3
249.06039	7.8
250.06664	0.8
304.15506	0.9
345.04166	0.8
384.21579	1.1
402.18600	2.4
402.23056	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	402.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44784	1.4
53.03931	2.9
55.01863	2.1
57.03421	5.3
61.02928	7.2
65.03934	2.3
65.30842	1.3
67.05439	1.5
68.84278	1.1
69.03430	25.7
69.48387	4.1
71.04996	3.5
73.02914	8.8
79.05492	1.3
81.03419	15.0
81.07052	2.5
85.02905	78.8
87.04474	22.5
91.03951	4.5
91.05482	65.3
91.06061	3.3
92.05814	3.4
93.07037	1.6
94.70335	1.3
96.08124	2.3
97.02891	22.9
99.04424	6.2
103.03942	2.2
105.07018	1.9
107.08546	1.3
108.08168	1.4
109.02869	14.5
114.64752	1.5
115.03932	100.0
116.04275	2.0
117.07014	3.3
118.07324	1.4
119.08573	5.3
120.08067	1.5
122.09700	3.2
127.03916	38.4
129.06969	1.6
133.04973	30.8
138.12755	2.5
144.89441	1.3
145.04962	50.9
146.05228	1.6
148.14401	1.4
150.13980	1.2
153.05598	1.3
157.04962	1.9
159.10487	1.3
162.12715	1.8
163.06035	7.6
168.10033	1.7
209.86015	1.2
234.14871	3.6
246.14711	1.3
247.09717	1.8
259.08139	16.9
262.17960	2.7
275.12787	2.9
277.09158	20.0
388.21179	22.4
389.21426	2.1
396.82254	1.3
402.21573	16.4
402.70981	8.6
403.22076	11.0
416.20749	7.5
418.22131	9.5
423.17432	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	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01872	8.1
57.03435	5.5
60.34972	0.6
61.02927	5.4
68.99779	2.9
69.03426	35.9
69.40481	3.1
71.04989	3.7
73.02916	4.6
81.03417	22.3
81.07048	0.8
83.01339	1.3
85.02903	100.0
86.03249	1.5
87.00831	42.6
91.03972	1.6
91.05499	5.5
97.02893	30.4
99.04457	13.3
103.03914	0.8
105.01868	71.3
105.07037	1.3
108.04466	2.1
109.02881	26.3
115.03920	1.7
117.01842	2.6
117.07018	1.6
119.08575	3.2
126.05515	1.4
127.03914	75.3
128.04256	1.8
129.01851	3.4
144.06703	0.7
145.04951	36.4
147.02924	1.7
159.02875	15.2
171.08176	0.8
176.14319	2.3
177.03978	1.0
189.03984	3.4
195.92152	0.7
212.05515	0.9
213.03951	2.9
225.27303	0.8
231.04994	26.2
232.05180	1.0
245.11838	1.4
248.07631	1.3
249.06039	7.8
250.06664	0.8
304.15506	0.9
345.04166	0.8
384.21579	1.1
402.18600	2.4
402.23056	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	402.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
57.03438	0.9
61.02921	1.6
69.03440	4.1
77.03935	0.4
81.03413	1.5
85.02910	13.3
87.04501	0.5
91.03969	0.6
97.02895	3.4
99.04469	0.9
103.03931	0.9
107.04955	100.0
108.05283	2.8
109.02872	1.7
110.15277	0.4
115.03950	0.5
118.06584	0.5
119.38436	0.4
120.08112	0.5
121.02837	0.7
126.09184	0.8
127.03924	2.8
131.04820	0.4
131.08543	0.4
145.04961	3.2
145.06020	0.5
145.06480	0.5
149.05971	0.8
159.08066	2.3
159.88087	0.4
160.07526	1.2
160.11183	0.6
161.12100	0.4
163.07587	1.4
175.07510	0.6
177.09122	1.1
201.05513	0.4
202.12181	2.2
205.08604	74.1
206.08960	3.6
220.13333	9.0
221.13771	0.6
223.09654	17.6
224.09993	0.8
266.63080	0.4
293.09119	0.5
384.18100	0.5
402.14368	7.9
402.19128	5.8
402.24176	0.8
403.11023	0.5
403.15689	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	402.1912
Annotation	Papaverrubine G
Peak:m/z	Relative Intensity
51.73531	0.3
54.73127	0.3
55.01865	0.9
67.05511	0.4
69.03416	0.6
69.14262	0.4
69.14661	1.4
71.04991	0.8
79.05500	0.4
80.05023	0.5
81.03391	0.4
81.07054	0.8
84.08150	0.6
85.02905	0.5
91.05477	0.7
93.07002	0.5
97.02905	0.6
97.06567	0.5
99.04452	1.2
105.07055	0.6
106.06550	0.4
109.02855	0.6
115.09609	0.3
118.06544	0.4
120.08080	1.5
122.09653	5.4
125.05972	0.6
127.03940	0.6
129.07072	0.4
132.08096	0.6
134.09674	1.0
144.08081	0.4
146.09662	1.5
147.10410	0.4
148.07558	0.8
148.11206	13.8
149.08345	0.5
149.12004	2.2
150.09113	1.9
155.03479	0.5
158.09631	0.7
159.11703	0.3
160.11269	1.8
161.11967	0.6
162.09157	2.1
169.08765	0.4
170.09691	1.0
172.11215	1.4
173.11996	0.4
174.09189	0.8
174.12843	0.6
176.10724	1.5
182.09451	0.3
182.11777	0.6
183.74837	0.3
184.11292	0.4
186.09189	1.0
186.12799	0.8
187.13615	0.4
188.10692	1.9
188.14401	0.4
189.11459	0.4
190.12227	0.3
198.12802	0.5
200.10706	1.2
201.11377	0.4
202.12280	1.0
203.12520	0.3
204.10220	1.7
204.13994	0.4
205.07091	1.0
212.10733	0.4
214.08595	0.4
214.12294	0.6
216.10268	0.4
216.13931	0.9
218.09628	0.3
218.11754	7.3
219.12329	0.6
220.13309	0.8
221.14078	0.4
222.14914	0.4
224.10706	0.4
226.12289	0.8
228.10298	0.3
228.13910	0.6
230.15370	0.7
232.13344	1.3
233.13905	0.3
238.12279	0.4
242.11763	0.8
244.13379	1.8
246.14885	5.8
247.15662	2.6
248.12877	1.8
248.16295	0.4
249.11223	0.4
254.11693	0.4
256.13400	0.5
258.14926	1.0
259.15677	0.6
260.12854	1.1
260.16455	0.7
268.13248	0.6
269.14151	0.4
270.11179	0.5
270.14886	0.4
272.12836	1.3
272.16385	0.4
274.14380	4.5
275.15125	3.4
276.15640	0.6
286.14420	1.4
286.17770	0.6
288.12344	1.3
296.12946	0.6
298.14514	0.5
298.17810	0.5
300.15982	0.6
303.14221	0.7
304.15421	1.7
314.13840	0.8
314.17474	1.5
315.18149	0.6
316.15506	0.5
324.16006	0.4
326.17542	0.6
328.15408	4.2
330.20590	0.4
342.16995	1.2
346.20142	2.8
356.18674	0.7
358.20169	0.9
370.16342	0.5
374.19666	4.2
375.19974	0.6
384.18207	2.9
402.19110	100.0
403.14389	0.7
403.19495	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	402.1914
Annotation	Alpinigenine
Peak:m/z	Relative Intensity
55.01869	1.8
55.51541	0.5
55.95124	0.5
56.05041	0.4
61.94571	0.4
64.15556	0.5
65.74132	0.4
69.03448	2.9
69.32236	1.7
69.32645	0.8
70.06580	0.7
71.04992	2.2
79.05542	0.6
80.05022	0.5
81.07059	1.9
88.64788	0.5
93.07043	1.2
97.02856	0.8
97.06528	0.5
98.22654	0.9
99.04468	1.4
105.07036	1.3
106.06567	0.6
108.08130	0.6
109.06485	0.7
120.08094	0.9
121.06502	0.7
122.09633	1.4
123.04438	0.6
125.06032	0.6
127.03951	0.8
131.08493	0.5
132.08119	1.8
134.09689	2.3
135.08084	0.9
136.07637	0.7
137.05913	2.6
146.09668	1.6
148.07558	0.7
148.11212	0.5
150.09180	1.0
151.03941	1.3
158.09692	0.8
159.10382	0.6
160.07597	0.9
160.11269	3.2
161.75845	0.5
162.09189	1.2
162.12784	1.7
170.09554	0.8
172.11240	1.4
173.11969	0.5
174.09161	0.7
174.12845	0.7
176.10829	0.6
178.12236	0.7
184.11238	1.7
186.12755	1.1
188.10725	1.8
189.11456	0.7
190.12270	2.1
195.68697	0.5
196.11261	1.0
200.10733	1.5
201.11627	0.6
202.12268	1.1
203.06987	0.6
205.07159	0.9
206.11803	1.3
212.10812	0.6
213.11426	0.7
214.12338	1.6
216.13843	0.9
217.08751	0.6
218.11769	1.1
220.13316	0.7
226.12125	0.6
228.10150	0.8
228.13774	0.5
230.11684	0.7
232.13304	1.7
240.13901	1.5
242.11888	0.6
248.12579	1.0
250.14455	0.9
252.13821	0.6
258.14893	1.7
260.16528	1.3
266.11801	0.7
268.13455	0.8
276.15967	1.9
278.11832	0.9
279.12585	0.7
285.13702	0.6
286.14334	1.5
287.15182	1.0
288.15933	3.0
296.12836	0.8
304.15479	2.6
305.16373	1.1
310.14536	1.4
314.17596	0.7
328.15463	3.1
328.18939	0.8
338.17657	1.3
340.19046	0.9
356.18597	6.1
357.18903	0.9
358.20105	3.2
366.17014	2.5
374.19522	1.5
384.18057	14.8
385.18384	1.4
402.19125	100.0
403.14322	0.7
403.19437	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	402.1914
Annotation	Alpinigenine
Peak:m/z	Relative Intensity
62.18301	0.9
67.05504	4.6
69.03432	17.5
70.06596	6.1
70.27425	2.3
71.05006	2.2
74.83694	1.1
79.05499	1.4
80.05004	3.9
81.07059	2.4
84.08158	3.2
85.02905	3.1
87.04433	2.4
91.05499	1.4
91.08704	1.0
93.07074	1.5
94.06577	3.0
95.04986	1.3
95.08604	3.8
96.08175	1.5
98.22775	1.1
98.71056	1.1
99.04478	5.1
105.07034	1.4
105.80623	1.1
106.06554	2.9
107.04994	1.3
109.06516	2.1
110.09686	2.9
115.03947	4.0
119.07324	2.7
120.08117	15.7
121.06519	1.7
123.08004	1.1
127.03938	1.8
132.08083	3.4
133.06544	1.1
133.08846	2.3
134.06033	1.2
134.09647	4.4
136.07590	1.4
136.48654	1.1
137.05959	5.0
138.09137	4.5
140.10689	2.0
143.08563	1.5
144.08090	2.4
146.05988	2.1
146.09673	3.0
147.06815	5.1
148.07567	1.9
158.09627	1.9
159.10309	1.2
160.07616	4.1
160.11218	3.9
162.09167	1.3
162.12776	23.0
167.07127	1.3
168.10239	3.2
170.09602	1.4
172.11259	8.3
176.07130	1.6
181.08603	2.5
184.11235	1.3
188.10706	20.7
189.11090	1.4
190.12260	21.9
191.12587	1.5
198.09152	3.0
202.12482	1.3
216.10205	19.2
220.13358	3.6
228.10190	2.8
230.11801	1.9
240.13881	2.9
242.15187	1.5
247.09712	8.0
249.11250	14.0
258.14890	37.6
267.06635	1.7
268.13266	5.5
277.26263	1.2
282.08878	3.3
286.14417	15.7
288.15924	20.6
289.16272	1.5
300.16031	2.4
302.13821	4.4
304.15472	4.5
314.13852	18.8
315.14178	1.3
316.15518	1.5
318.17029	4.4
332.15012	2.0
344.14941	1.2
353.99887	1.3
356.18530	2.9
358.20047	8.7
384.13104	2.6
384.18069	50.7
385.18359	3.7
386.62479	1.3
402.19116	100.0
403.15219	2.6
403.19583	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	402.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73531	0.3
54.73127	0.3
55.01865	0.9
67.05511	0.4
69.03416	0.6
69.14262	0.4
69.14661	1.4
71.04991	0.8
79.05500	0.4
80.05023	0.5
81.03391	0.4
81.07054	0.8
84.08150	0.6
85.02905	0.5
91.05477	0.7
93.07002	0.5
97.02905	0.6
97.06567	0.5
99.04452	1.2
105.07055	0.6
106.06550	0.4
109.02855	0.6
115.09609	0.3
118.06544	0.4
120.08080	1.5
122.09653	5.4
125.05972	0.6
127.03940	0.6
129.07072	0.4
132.08096	0.6
134.09674	1.0
144.08081	0.4
146.09662	1.5
147.10410	0.4
148.07558	0.8
148.11206	13.8
149.08345	0.5
149.12004	2.2
150.09113	1.9
155.03479	0.5
158.09631	0.7
159.11703	0.3
160.11269	1.8
161.11967	0.6
162.09157	2.1
169.08765	0.4
170.09691	1.0
172.11215	1.4
173.11996	0.4
174.09189	0.8
174.12843	0.6
176.10724	1.5
182.09451	0.3
182.11777	0.6
183.74837	0.3
184.11292	0.4
186.09189	1.0
186.12799	0.8
187.13615	0.4
188.10692	1.9
188.14401	0.4
189.11459	0.4
190.12227	0.3
198.12802	0.5
200.10706	1.2
201.11377	0.4
202.12280	1.0
203.12520	0.3
204.10220	1.7
204.13994	0.4
205.07091	1.0
212.10733	0.4
214.08595	0.4
214.12294	0.6
216.10268	0.4
216.13931	0.9
218.09628	0.3
218.11754	7.3
219.12329	0.6
220.13309	0.8
221.14078	0.4
222.14914	0.4
224.10706	0.4
226.12289	0.8
228.10298	0.3
228.13910	0.6
230.15370	0.7
232.13344	1.3
233.13905	0.3
238.12279	0.4
242.11763	0.8
244.13379	1.8
246.14885	5.8
247.15662	2.6
248.12877	1.8
248.16295	0.4
249.11223	0.4
254.11693	0.4
256.13400	0.5
258.14926	1.0
259.15677	0.6
260.12854	1.1
260.16455	0.7
268.13248	0.6
269.14151	0.4
270.11179	0.5
270.14886	0.4
272.12836	1.3
272.16385	0.4
274.14380	4.5
275.15125	3.4
276.15640	0.6
286.14420	1.4
286.17770	0.6
288.12344	1.3
296.12946	0.6
298.14514	0.5
298.17810	0.5
300.15982	0.6
303.14221	0.7
304.15421	1.7
314.13840	0.8
314.17474	1.5
315.18149	0.6
316.15506	0.5
324.16006	0.4
326.17542	0.6
328.15408	4.2
330.20590	0.4
342.16995	1.2
346.20142	2.8
356.18674	0.7
358.20169	0.9
370.16342	0.5
374.19666	4.2
375.19974	0.6
384.18207	2.9
402.19110	100.0
403.14389	0.7
403.19495	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	402.1916
Annotation	(3'R)-Stemofolenol
Peak:m/z	Relative Intensity
53.95900	0.8
55.01854	0.9
55.05492	1.8
55.32847	0.9
57.61076	0.8
67.05475	1.1
69.03403	2.3
77.47563	0.9
79.05465	2.6
80.04996	0.9
81.07042	2.3
83.00893	1.2
83.01343	20.6
83.04970	0.9
83.08640	1.2
85.16682	0.7
91.05444	3.8
93.07028	1.4
94.06563	1.8
95.08553	1.3
97.02895	1.2
97.06502	1.1
99.04430	0.9
105.07018	2.0
108.08087	1.1
109.06499	1.4
109.10143	0.8
111.08071	1.2
117.06971	1.0
119.08571	1.5
120.08086	1.6
122.05980	1.5
122.09620	1.2
123.08037	2.4
125.05930	1.0
127.03893	1.1
131.07254	1.1
132.08078	1.0
135.07996	1.7
138.12735	2.3
144.08022	1.0
145.06425	1.1
148.11157	1.1
151.07515	2.1
153.05429	2.0
155.07138	1.1
159.11632	0.9
159.13974	1.0
160.07454	1.0
160.11195	1.2
162.09000	0.9
162.12640	1.3
165.05443	1.1
168.07884	1.2
179.07004	2.0
181.04880	2.5
182.09570	1.3
188.10629	1.0
189.09250	1.0
190.12151	1.3
192.10138	3.1
194.09613	1.5
198.09006	0.9
202.12102	1.1
204.13805	2.7
208.11115	2.5
208.13174	1.9
210.09178	1.2
211.09764	1.3
212.10608	1.2
218.11681	0.9
223.09904	0.9
224.10703	1.9
226.08562	1.8
226.12111	2.1
232.09581	1.1
234.14862	1.5
236.10597	2.4
238.12224	1.1
239.09180	1.8
240.10107	1.7
242.11732	4.7
242.15242	1.2
246.14677	1.2
250.15819	1.4
251.09119	1.2
252.10033	2.7
253.10648	1.0
254.11755	11.8
254.14514	1.1
254.15378	1.0
255.11963	1.3
256.09564	1.6
256.13126	0.9
256.16556	0.9
262.17862	1.3
264.09988	1.0
266.07993	2.0
268.16891	1.8
270.11090	3.2
270.14615	1.2
274.14200	2.6
275.12585	1.1
275.19684	1.5
278.15250	1.2
280.09885	1.8
280.12888	1.2
280.16959	1.9
282.11035	3.3
284.16412	5.7
285.17181	1.9
286.14438	1.4
288.15778	2.8
296.16498	5.4
297.17172	4.2
298.10834	6.4
298.13654	1.6
298.17773	3.1
306.14716	1.3
308.16330	1.8
310.17740	1.6
314.17288	1.5
323.14761	1.1
324.15677	3.9
326.17249	3.4
328.15234	5.6
328.18402	5.2
338.17377	4.6
341.16019	2.6
349.23441	1.7
352.15427	4.6
356.18555	34.9
357.18680	3.2
366.17026	7.0
374.19199	2.3
384.18063	100.0
385.18353	7.9
388.21194	11.2
389.21698	1.1
402.19073	42.4
402.70880	5.4
403.20792	3.4
416.20657	9.3
418.21979	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	402.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53839	0.5
53.03947	1.4
55.01868	1.5
55.60793	0.6
56.13455	0.5
57.03435	4.6
61.02928	9.6
69.03426	15.6
69.38930	2.8
69.43091	0.5
70.06590	1.1
71.05003	1.9
73.02917	3.9
81.03413	5.6
83.01369	0.5
83.65056	0.5
84.08171	0.6
85.02904	100.0
86.03227	1.6
87.04471	2.5
91.03953	5.6
97.02251	1.2
97.02893	23.9
98.97594	2.5
99.04453	4.8
101.02377	0.9
103.03970	0.7
109.02876	8.8
112.69881	0.6
115.03905	1.6
116.98618	1.0
127.03917	27.4
127.04864	1.4
128.04294	0.7
142.12291	0.7
145.04956	55.2
146.05305	1.4
147.38461	0.6
155.37546	0.6
163.06017	35.6
216.98676	0.9
217.55574	0.6
219.01749	0.7
223.11731	6.5
232.96455	0.7
240.15930	0.8
250.97432	0.7
314.51651	0.7
320.28159	0.6
325.11264	1.2
343.07028	0.7
402.21045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.25618	1.1
55.05504	2.2
57.03441	9.1
60.71376	1.0
61.02916	3.6
67.05494	4.1
68.05036	6.7
69.03426	12.5
69.89283	3.0
70.06587	2.6
71.04991	3.9
72.08149	1.2
76.19629	1.1
79.05480	3.9
79.67650	1.0
80.05016	8.0
81.07060	2.6
83.04964	1.9
85.02904	22.0
85.06535	2.3
86.09699	1.8
88.83421	1.1
91.05488	2.4
93.07030	4.6
94.06565	6.9
95.04961	2.2
95.08609	2.2
96.08112	1.3
97.02880	4.4
98.97588	2.2
99.04459	13.9
105.07024	1.8
106.06552	1.7
107.04941	1.5
107.08584	5.7
108.04486	15.5
108.08129	2.3
109.02934	1.2
109.06511	1.7
110.06042	1.9
111.04452	2.0
111.08092	2.1
112.07601	10.2
117.05479	5.4
117.07044	1.9
118.06527	1.4
119.08652	1.7
120.08103	3.9
121.06503	3.0
122.06050	1.4
122.09650	3.1
125.09634	8.6
126.05495	3.6
126.09174	1.2
127.04028	1.6
127.13044	1.3
131.07317	0.9
131.08594	2.3
132.08084	3.4
133.08853	1.1
134.09660	2.8
136.07541	7.3
136.11214	6.1
138.05496	4.7
138.09122	1.7
141.86002	1.2
145.04982	1.6
146.06027	1.8
146.09651	2.6
148.07545	5.8
148.11241	2.2
152.10670	1.5
154.08652	5.2
154.12259	12.1
160.07582	11.0
160.11197	3.6
161.08321	1.1
161.09631	1.9
162.09070	3.0
162.12798	1.2
164.07051	15.1
164.10718	3.6
166.08707	1.6
174.12715	2.7
176.10641	1.8
177.07774	1.4
180.13794	2.8
186.09103	2.7
190.08586	2.3
192.10237	1.8
192.13739	1.6
194.15512	1.8
198.14868	4.5
200.10727	1.6
200.14301	1.4
202.12279	8.9
204.10265	3.4
204.13818	2.6
205.08638	3.7
214.12151	1.5
216.10313	1.5
218.11768	1.5
220.13315	34.0
220.16682	1.5
222.14914	8.5
228.10136	2.1
232.13338	9.2
238.18034	2.0
240.15919	5.5
244.09802	1.6
246.14851	6.0
248.13031	1.7
250.14394	15.9
252.16032	1.6
256.09726	1.6
260.12689	1.4
260.16571	1.6
262.17978	1.5
264.15936	17.9
265.16379	1.5
268.15448	1.4
270.17145	5.5
272.16513	1.7
280.19080	2.0
282.17175	1.7
288.15909	6.4
290.17413	1.9
296.18576	5.8
298.14337	3.8
306.17068	7.6
314.19629	12.0
316.15363	8.8
317.08701	1.8
324.17972	1.6
334.16476	3.5
338.19534	14.0
348.18002	4.2
352.17789	1.8
356.20667	100.0
357.21033	5.9
360.09286	1.8
366.19110	59.9
367.19495	3.7
384.20245	22.0
385.20688	1.3
402.13455	3.3
402.20981	28.1
402.28976	1.4
403.12192	4.3
403.21259	2.1
410.13013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
57.03431	6.4
61.02930	2.7
67.05508	4.2
68.05031	7.7
69.03426	7.9
69.07072	3.2
70.06596	13.8
71.04994	6.7
71.06919	1.7
72.04503	2.0
72.08163	4.4
79.05499	5.5
80.05017	4.8
81.07058	3.2
82.06602	1.5
84.04499	1.3
85.02896	12.5
85.06535	2.5
86.09711	10.2
91.05490	3.6
93.07071	3.5
94.06583	3.8
95.04940	2.2
95.08607	2.4
96.04478	2.1
97.02901	4.1
97.06562	1.2
97.10162	1.2
99.04452	22.1
105.07043	4.8
106.06592	1.1
107.08588	5.4
108.08112	2.8
109.06477	1.6
109.10179	1.5
110.06045	1.5
110.07158	1.4
111.04488	1.5
112.07594	8.8
112.08718	1.8
117.05556	2.4
117.07040	1.3
118.06535	1.5
119.08611	3.1
120.08105	4.4
122.09689	2.8
125.09638	5.7
126.05571	1.4
129.10268	1.5
131.08569	1.6
132.08150	1.3
134.09656	1.8
136.07576	6.9
136.11198	2.9
138.05521	3.4
138.09108	1.4
139.03885	2.0
144.37120	1.1
146.06012	1.9
146.09639	2.8
148.07539	3.8
148.11211	2.2
150.09099	1.7
153.09024	1.3
154.08623	7.4
154.12231	8.7
156.07918	1.2
160.07573	6.7
162.09143	2.9
162.12750	2.1
164.07068	22.5
164.10703	2.8
165.07480	1.5
166.08650	2.9
174.09174	2.3
174.12793	1.9
176.10727	1.8
178.08646	1.1
180.13812	1.4
182.08139	2.6
184.11218	1.2
186.30215	1.2
190.08693	2.0
192.13782	1.5
194.15442	2.3
198.14830	2.1
200.10684	1.8
202.12274	7.8
204.10243	5.2
204.13867	3.0
205.08643	2.0
214.12364	1.9
214.25832	1.2
220.13312	13.6
220.16893	1.4
222.14864	9.1
226.17540	1.9
228.10362	2.0
232.13271	5.7
238.14349	3.9
238.18031	3.4
240.15924	2.3
246.14948	5.8
250.14381	15.9
254.15376	2.2
256.09741	2.7
260.16556	2.3
262.18097	2.3
264.15970	26.2
265.16315	1.7
270.14703	2.8
270.17120	5.8
272.16452	1.8
280.13632	1.2
280.19064	5.2
282.16913	2.2
288.16016	9.3
290.17416	2.8
296.18576	8.3
298.14273	3.7
306.17017	12.8
307.17392	1.6
309.24878	1.3
314.19653	10.7
316.15463	16.4
320.18921	1.6
324.18094	1.2
334.16733	5.5
338.19635	14.6
348.18030	3.8
352.17499	1.4
356.20688	100.0
357.21075	8.3
366.19101	63.4
366.23746	2.7
367.19394	5.9
384.20218	22.6
385.20541	1.4
402.21158	33.0
402.28983	6.9
403.12119	3.3
403.21487	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	402.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05513	2.3
57.03424	0.9
57.07088	2.7
67.01906	0.5
67.05497	1.7
69.03426	1.7
69.07069	1.2
69.66792	0.4
70.06583	2.0
76.27707	0.4
77.75950	0.4
79.01849	1.3
79.05496	0.7
80.05007	1.1
81.03449	0.6
81.07055	1.3
83.01342	5.4
83.04941	0.6
87.08113	9.3
88.07623	2.8
89.16376	0.5
91.05484	0.9
93.07065	1.1
94.06548	0.6
95.01353	0.6
95.04947	0.6
95.08602	2.2
97.02902	0.6
98.22619	1.2
99.03808	0.8
99.04458	16.4
102.09190	0.5
105.06993	0.8
109.02897	0.8
109.06542	0.6
109.11556	0.4
111.08045	0.6
120.08086	1.7
122.09674	0.7
123.00783	0.7
127.03928	1.1
130.06567	0.6
132.08063	0.9
134.09639	1.4
134.22624	0.5
136.11241	0.6
138.12772	1.2
139.07564	0.9
144.08125	1.5
146.09618	2.5
148.07581	0.7
148.92413	0.5
155.03394	100.0
156.03763	2.6
158.09647	1.5
159.10429	1.0
160.07640	0.6
160.11215	1.5
162.12773	3.7
163.09862	0.7
163.17276	0.6
167.07039	7.2
168.07452	0.5
171.26183	0.5
172.11211	4.7
174.12793	11.4
175.13493	0.6
176.10751	1.0
176.14359	1.6
183.06522	0.6
186.12799	3.1
187.13583	5.5
188.14374	1.4
200.14458	0.6
202.12300	1.7
204.13881	1.3
206.15387	1.8
214.15898	1.8
216.17480	51.1
217.17775	3.3
220.13307	0.5
230.15410	1.8
234.14862	1.8
242.15512	1.1
248.20070	3.6
250.12294	0.6
262.18082	1.2
265.14597	0.6
283.26324	2.8
294.18564	2.8
298.14584	0.6
314.17441	1.0
316.15408	1.8
326.21201	5.0
339.34509	2.5
352.19086	1.7
370.20135	38.2
371.20490	3.0
371.28775	0.5
388.21274	5.3
389.21353	0.7
401.38223	7.1
402.21042	9.0
402.39285	2.3
402.71149	3.2
403.13727	1.0
403.21835	1.3
416.20819	3.8
417.20929	0.9
418.22180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2277
Annotation	CHEBI:66774
Peak:m/z	Relative Intensity
59.04745	0.6
59.05007	3.7
67.05516	0.8
69.03430	74.0
70.03765	0.9
70.04883	1.6
80.05025	0.7
81.07053	1.5
84.08182	0.6
91.05516	0.6
93.07040	1.0
95.08627	0.7
96.08128	0.8
101.06015	1.8
105.07064	0.8
106.61090	0.5
107.08677	0.6
119.08598	0.6
120.49354	0.6
125.09663	0.5
129.05473	2.8
129.07014	0.6
138.12842	0.9
139.00298	0.6
142.66785	0.6
148.11279	0.6
158.09674	0.6
167.41179	0.5
172.11220	1.1
174.12814	0.6
192.13918	1.0
198.12802	1.3
199.13544	1.3
200.14342	17.3
200.16211	0.8
201.14777	0.9
202.12299	0.7
204.13861	0.9
216.13911	0.9
226.12300	1.4
226.15979	0.9
228.17519	0.7
234.14961	2.0
240.13823	2.5
244.13318	0.7
250.15884	0.8
254.15474	0.5
256.17056	0.8
262.18158	1.8
268.16953	8.3
272.16302	0.7
274.18021	5.7
275.12817	0.7
296.16489	2.8
298.21741	0.5
300.15854	2.8
314.17566	0.7
328.19061	2.8
342.20624	50.4
343.20819	3.0
356.22354	2.5
370.20160	12.1
371.20569	0.8
373.09262	1.0
388.21191	6.5
389.21658	0.9
402.22815	100.0
402.71140	4.7
403.14069	1.2
403.23026	9.4
416.20517	5.0
417.20959	0.7
418.21896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.228
Annotation	Acoridine
Peak:m/z	Relative Intensity
55.01860	0.4
55.05514	0.4
57.03409	0.3
67.05505	0.7
69.03436	1.3
69.07080	0.2
69.29235	1.0
70.06594	0.4
71.04993	0.9
79.05489	0.8
80.05028	0.4
81.07055	1.2
83.04991	0.4
85.02909	0.3
91.05499	0.5
93.07039	0.4
94.06595	0.4
95.04952	0.3
96.08160	0.3
97.02905	0.7
99.04462	1.3
105.07035	0.6
106.06575	0.5
107.08610	0.5
107.68170	0.2
108.08136	0.3
109.02895	0.2
109.06543	0.3
109.10162	0.7
119.08634	0.4
120.08144	0.3
122.09680	0.5
125.05958	0.3
127.03923	0.3
131.08594	0.5
132.08119	0.4
134.09659	0.6
135.08076	0.2
136.07559	0.4
136.11201	0.9
137.06023	1.0
137.09647	0.3
145.10130	0.3
146.06015	0.4
146.09589	0.5
147.10432	0.3
148.07610	0.6
148.11279	0.4
150.09172	0.9
158.09674	0.4
160.07628	0.9
160.11252	1.0
161.09698	0.3
162.09207	1.4
163.09904	0.3
164.10686	0.5
172.11227	0.5
174.09175	0.8
174.12782	0.5
175.09964	0.4
176.10701	0.5
176.14410	0.2
184.11263	0.3
186.09137	0.3
186.12820	0.6
188.10669	1.3
190.12325	0.9
198.12866	0.4
200.10736	0.9
201.11473	0.4
202.12334	0.9
202.15796	0.3
204.13925	0.4
205.07072	0.4
206.19012	0.3
212.10716	0.6
212.14334	0.5
214.12317	1.4
216.10289	0.3
216.13803	1.8
218.11798	0.3
220.13358	0.3
221.11830	0.5
226.12315	0.5
227.13115	0.4
228.13904	0.7
230.11861	0.5
230.15408	0.7
232.13318	0.6
234.14989	0.6
240.13916	0.4
242.15517	0.7
246.14857	0.3
248.12706	0.4
249.13576	0.2
254.15437	0.4
256.17087	0.3
258.14917	0.8
260.16473	0.5
262.14471	0.9
268.13409	0.3
272.16501	0.4
274.14453	0.5
274.18079	0.4
282.18619	0.3
284.16486	0.4
286.14569	0.6
286.18002	0.7
288.13251	0.3
288.15860	1.3
290.17639	0.5
300.15915	7.6
300.19363	0.5
301.16464	0.7
302.17496	1.4
304.15582	1.0
304.18774	0.3
310.18256	0.4
314.17389	4.1
314.20322	0.3
315.18228	2.3
316.18713	0.3
318.17206	0.3
320.16660	0.3
328.19110	3.7
328.22629	0.4
329.19672	0.4
338.21323	0.5
346.20386	0.5
356.18466	0.7
356.22330	1.9
358.20380	0.7
359.15161	0.2
374.23300	1.0
384.17160	1.4
384.22293	2.1
400.21442	0.6
402.22870	100.0
403.23245	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	402.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93417	0.2
55.01874	0.6
55.05520	0.4
57.03443	0.3
61.66926	0.3
61.91094	0.3
62.62793	0.3
67.05511	1.2
69.03433	2.4
70.06580	0.4
70.18217	0.5
71.05000	0.8
73.23642	0.3
74.05386	0.2
79.05495	2.1
80.05023	0.4
81.03421	0.3
81.07050	2.8
82.06599	0.3
83.04039	0.3
83.05016	0.3
84.08155	0.5
91.05514	0.8
93.07059	0.5
94.06585	0.3
95.05003	0.4
95.08636	0.4
97.02930	0.5
99.04478	0.9
104.15897	0.3
105.07071	1.0
106.06579	0.4
107.08593	1.4
109.02893	0.5
109.06509	0.5
109.10179	0.7
109.26802	0.3
114.53773	0.3
119.08628	0.5
120.08137	0.4
121.06526	0.8
122.09693	0.5
123.08062	0.4
123.13196	0.3
125.05977	0.5
127.03916	0.6
132.08128	0.8
133.08897	0.4
134.09700	0.6
135.08063	0.7
136.07616	0.5
136.11235	0.9
137.05991	2.0
144.08153	0.4
145.10220	0.4
146.06052	0.3
146.09671	1.2
148.07587	0.8
148.11186	0.5
150.09142	1.5
158.09718	1.0
160.07620	1.0
160.11275	1.3
162.09117	1.5
162.12772	0.5
164.10756	0.6
168.10265	0.4
170.09676	0.5
172.07613	0.4
172.11243	0.4
174.09212	1.5
174.12793	1.0
176.10768	1.2
177.11569	0.5
178.12253	0.4
184.11305	0.6
186.09233	0.7
186.12856	1.2
188.10760	1.5
188.14413	0.6
190.12343	0.6
198.12878	0.6
200.10750	0.9
200.14412	0.4
202.12349	2.5
202.16003	0.3
204.13962	0.4
205.07076	0.5
206.19168	0.6
212.10777	0.6
213.11464	0.3
214.12270	1.7
214.16010	0.4
216.13837	1.5
218.11824	0.3
220.13338	0.3
221.11754	0.4
226.12225	0.7
227.13063	0.4
227.75677	0.3
228.13884	0.8
230.11763	0.7
230.15436	1.0
232.13361	1.3
234.14970	0.7
240.13896	0.9
242.11839	0.4
242.15466	1.1
244.13403	0.5
248.12778	0.4
250.14403	0.5
254.15508	0.5
256.17053	0.9
258.14951	1.1
260.16586	0.5
262.14243	0.7
268.17047	0.4
272.12949	0.4
272.16428	0.7
274.14520	0.5
276.16049	0.6
282.14993	0.5
284.16571	0.4
286.14572	0.5
286.18094	0.4
288.16171	0.5
290.17639	0.6
300.16068	3.1
300.19464	0.6
302.17685	0.7
304.15512	1.1
310.18018	0.4
314.17471	3.3
315.18188	0.9
328.15363	0.6
328.19061	5.1
328.22501	0.4
329.19537	0.4
338.21307	0.6
340.18976	0.4
346.20255	1.1
356.18533	0.7
356.22287	3.5
358.20166	0.9
366.21201	0.4
374.23441	1.3
384.17215	1.7
384.22058	4.4
402.22910	100.0
403.23242	9.1
403.28326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68650	3.1
53.03955	4.9
55.01877	7.0
55.05515	17.5
57.03429	19.3
61.40715	3.7
65.69693	3.4
66.92920	3.1
67.05509	43.7
68.08948	3.3
69.03431	13.2
69.07069	25.1
69.07384	4.5
71.04992	5.3
79.05479	28.8
80.05001	6.8
81.03429	4.4
81.07056	53.7
83.01347	10.8
83.04974	5.7
83.08621	10.0
85.06539	6.2
89.35955	3.7
91.05482	31.1
93.07046	38.5
95.04942	8.5
95.08595	24.0
97.06519	10.5
97.10168	6.8
98.23492	9.9
99.04492	4.9
99.39576	3.4
105.07027	22.4
107.08596	26.6
109.06519	12.5
109.10160	15.4
110.09689	4.5
111.08102	3.8
117.07021	12.4
117.11651	3.7
119.08619	16.0
120.08122	4.7
121.06505	3.9
121.10136	13.3
122.09663	7.6
123.08147	3.9
125.09655	6.3
127.03940	5.3
129.07027	7.3
131.08546	17.6
132.08095	3.3
133.10144	14.6
135.08038	6.2
135.10417	4.3
135.11646	8.5
138.12820	7.0
140.19659	3.3
144.22331	3.3
145.10132	14.8
147.11682	8.1
148.07597	5.0
149.09669	9.9
149.13254	8.6
150.09157	6.0
155.03398	7.2
155.08510	3.8
159.11729	14.0
160.07591	3.5
163.11148	4.9
165.09125	3.7
167.84996	3.7
168.10127	4.9
173.11736	4.8
173.13135	4.1
177.12735	6.5
178.12299	3.8
181.12297	3.6
183.11748	3.1
185.13260	3.6
195.13766	5.0
202.12186	4.8
204.13824	10.2
208.13307	4.0
210.09250	4.2
219.12553	3.8
227.12901	6.4
229.14389	7.1
234.14876	11.1
246.15021	6.9
247.09743	3.5
247.91045	3.3
254.11693	5.1
255.15924	26.9
260.16534	4.7
262.17990	7.7
263.18185	3.8
269.17511	40.3
274.14349	9.7
275.12909	5.1
275.20004	28.2
286.20074	5.5
288.15942	4.9
303.21500	3.7
312.12115	5.6
328.15451	8.4
349.23578	23.8
356.18582	12.1
367.24942	4.7
370.16061	4.5
373.08981	16.2
374.19641	4.8
384.18008	37.1
388.21198	61.4
389.21567	9.2
402.19958	100.0
402.28604	10.3
402.71124	35.8
403.14075	22.5
403.21747	32.9
416.20700	41.2
417.21234	8.0
418.22116	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	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.0
55.05513	13.7
57.03429	12.2
57.07076	3.4
61.75333	2.6
62.12915	2.6
67.05506	29.1
68.33860	2.4
69.03436	17.6
69.07074	21.2
69.17536	6.1
69.17936	16.1
71.04989	5.3
79.05499	30.7
80.04996	4.3
81.03413	3.5
81.07059	33.4
82.76961	2.5
83.01341	5.4
83.04985	6.8
83.08611	7.2
83.35610	3.0
85.06522	3.4
91.05476	23.5
92.05832	2.9
93.07036	29.1
94.06568	3.0
95.04959	8.5
95.08593	16.4
96.08134	6.1
97.06514	6.6
97.10163	7.2
99.04484	5.8
105.07043	22.0
107.04983	2.9
107.08589	18.4
109.10151	6.2
111.08057	4.0
113.06068	2.8
117.07044	8.6
119.08576	11.5
120.08125	3.8
121.06495	4.7
121.10155	9.0
122.06008	5.2
122.09646	7.2
123.11701	5.0
127.03909	7.8
129.01822	4.5
130.06508	3.1
131.08574	9.1
133.10118	10.3
134.09694	4.6
135.08025	4.4
135.11685	8.9
136.07626	3.5
136.11176	3.6
138.12779	12.7
145.10136	9.5
146.09691	4.3
147.11655	5.0
148.07527	4.1
149.09613	5.3
149.13251	5.6
150.09177	6.6
155.03374	18.5
159.11670	9.9
163.11241	6.0
165.05432	3.2
167.07085	3.1
173.11861	3.3
173.13216	5.7
176.07074	8.7
177.12666	3.7
178.12225	22.0
183.06482	3.3
190.12123	3.8
204.10168	3.6
204.13879	9.3
207.06592	3.2
218.11772	18.2
218.15367	3.6
219.12437	5.7
222.11200	3.8
227.12790	4.8
234.14877	9.7
235.15382	3.5
245.13867	2.9
246.14909	7.0
247.09746	4.1
249.11264	4.0
255.15854	13.9
256.09689	6.9
257.19052	7.1
262.18018	9.5
269.17542	22.1
274.14395	8.7
275.12592	5.5
275.15335	3.5
275.20175	14.3
288.15939	6.2
312.12143	5.9
349.23819	18.8
356.18439	8.4
370.16394	3.8
373.09305	14.4
384.18195	14.8
388.21240	63.9
389.21396	11.0
402.19797	100.0
402.28613	8.8
402.71118	33.5
403.14365	14.8
403.21744	22.4
404.63330	2.9
416.20743	38.0
417.20923	11.2
418.22083	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08016	4.5
55.01876	8.1
55.05516	26.0
57.03424	17.7
59.14548	4.8
62.73727	4.6
67.05504	45.2
69.03426	7.1
69.07063	16.4
71.08627	27.6
79.05482	35.4
81.03417	5.9
81.07059	47.1
83.04993	9.5
83.08670	11.8
85.02923	7.7
87.09847	5.8
91.05483	41.8
93.07040	22.9
95.04955	13.9
95.08646	24.8
97.02887	5.2
97.06563	9.0
97.10143	5.0
98.23444	12.8
99.04428	8.0
99.08112	19.0
105.07036	23.4
107.08592	25.9
109.06494	5.9
109.10143	31.3
117.71400	4.9
119.08633	6.7
121.10152	6.5
123.08028	9.1
123.11767	7.8
125.09687	7.8
127.03904	6.0
133.10152	34.9
137.09630	6.5
145.10139	8.5
147.11749	6.2
149.09583	7.7
149.13260	9.5
151.11185	23.9
151.64212	4.9
159.11784	6.9
163.11169	6.0
173.11765	9.6
177.12717	7.1
193.12173	7.2
205.07127	6.0
223.09935	5.3
239.24532	5.7
253.14423	15.3
257.19034	6.5
267.16019	9.3
269.17508	6.1
271.15454	6.9
275.19955	26.1
285.17154	12.9
293.21103	42.1
304.15329	11.1
349.23804	13.4
367.24832	100.0
373.09433	8.5
402.14435	8.0
402.19043	45.9
403.14352	15.8
403.19574	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	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76500	2.4
53.03961	2.9
55.01868	9.6
55.05511	17.6
57.03424	9.4
57.07068	2.5
57.47245	2.4
67.05502	44.1
69.03420	6.4
69.07069	14.2
70.06575	3.2
71.04995	6.8
71.08629	3.4
72.92357	2.4
79.05489	22.3
81.03416	12.0
81.07063	45.3
83.04990	10.3
83.08616	8.1
85.02892	4.4
85.06530	5.8
85.10583	2.3
91.05477	33.1
93.07042	25.3
95.04964	11.6
95.08608	29.5
97.02887	2.5
97.06527	3.7
97.10201	3.1
99.04418	3.8
99.08088	2.6
105.07028	29.4
107.04959	9.7
107.08599	31.1
109.02884	6.7
109.06493	5.9
109.10159	38.8
114.18051	2.4
117.06999	6.1
119.08583	9.1
121.06434	2.8
121.10149	7.9
123.04456	2.9
123.08070	9.0
123.11720	10.4
125.09644	6.3
127.03938	4.9
129.09131	3.0
131.08586	8.1
133.10127	45.2
135.11736	4.5
137.06010	4.5
137.09630	8.5
145.10089	3.8
147.11693	6.0
149.09613	9.2
149.13277	3.7
151.11194	26.9
159.11726	3.5
161.13330	2.9
162.09145	7.5
163.11226	7.5
165.09212	4.0
165.12849	3.7
169.12263	4.2
173.13200	3.8
175.09892	3.1
188.10643	4.1
200.10760	3.2
202.12323	4.0
205.07089	7.1
211.61302	2.8
230.15309	4.9
234.11200	2.7
247.20708	3.8
253.14326	25.8
257.19006	3.3
258.14883	4.5
271.15347	8.5
275.20062	26.2
285.17029	12.4
286.14343	3.2
293.21140	10.8
304.15390	8.4
349.23721	11.3
356.18646	6.9
367.24802	100.0
368.25076	5.7
373.09158	4.6
385.25778	5.4
402.19122	66.8
403.14127	8.9
403.19516	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	402.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
56.09187	0.7
57.07076	2.9
69.03414	1.1
69.07063	5.9
69.24773	4.3
71.08633	1.9
79.05487	2.7
81.07047	4.6
82.01299	0.7
83.08624	3.8
91.05504	0.9
95.04944	1.6
97.10169	2.2
107.04989	3.5
108.05750	6.9
109.06511	7.2
111.11716	0.9
121.06500	7.9
123.04440	3.0
124.05209	2.3
135.08066	1.5
136.05194	23.7
137.05975	66.9
138.06767	27.4
139.07072	0.9
149.05962	2.5
149.09642	2.9
150.06740	10.1
151.07509	1.3
159.08058	1.4
162.06755	1.1
163.07565	6.2
171.37929	0.7
177.09102	52.0
178.09552	1.2
191.10704	3.0
192.11415	1.2
204.96503	0.8
228.55482	0.7
327.43698	0.7
373.09048	1.7
402.34906	100.0
403.13892	2.3
403.35300	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	403.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05508	0.2
60.17828	0.2
60.65153	0.2
61.01154	1.8
67.05513	0.2
68.99791	2.3
70.06604	0.4
71.01346	0.5
72.04524	1.6
78.03796	3.3
86.06070	1.6
94.71098	0.2
100.11273	0.4
102.03763	4.5
105.07030	0.2
107.04948	1.6
115.05481	0.3
115.08701	1.5
120.04781	0.4
121.02874	0.3
128.06212	0.6
129.07030	1.3
130.07292	0.2
131.04988	0.3
131.05450	0.2
131.06421	2.7
131.08543	0.7
132.04805	2.2
132.40852	0.2
133.02864	0.9
136.11217	0.5
137.02335	0.5
137.05937	0.3
141.06984	0.6
143.08604	0.7
145.06467	0.3
149.07443	21.0
150.07803	0.5
150.61507	0.2
151.94167	0.2
152.06223	0.9
153.06993	4.6
155.08479	0.3
157.06499	6.1
159.08089	0.6
165.06964	1.3
169.06505	0.6
171.08060	2.0
178.04999	6.4
181.06477	12.4
182.06876	0.6
184.05238	0.3
185.05969	2.9
187.07568	1.7
198.06810	0.4
199.07533	6.6
200.07898	0.4
209.05966	3.9
210.06664	0.8
213.05473	6.5
214.05850	0.3
226.06310	0.9
227.07025	15.5
228.07359	1.0
232.06152	0.3
237.05473	2.5
238.05983	0.3
255.06525	100.0
256.06870	6.3
272.09186	0.6
284.09180	7.6
285.09491	0.4
326.10226	7.7
327.10455	0.4
403.13300	0.7
403.22110	0.4
403.71844	0.3
404.20261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01860	1.7
56.00546	0.8
58.01838	0.8
65.03939	4.9
67.05500	3.3
68.99796	0.7
69.03426	4.1
69.07069	1.3
69.14828	1.6
69.15234	5.0
72.12093	0.8
72.50783	0.8
77.03918	1.5
79.05490	9.1
79.69327	0.8
81.03416	2.4
81.07049	2.5
82.04207	1.5
82.06583	1.0
83.01321	1.0
85.02892	3.8
91.05470	2.3
93.03403	2.4
93.07053	2.6
95.04974	2.6
96.08118	1.2
97.06519	2.0
98.22648	2.0
99.04418	1.0
103.05425	0.9
105.04534	1.3
105.06991	1.2
107.04952	20.5
109.06519	1.0
110.03651	2.4
111.04427	1.1
115.05473	5.6
117.07024	2.6
120.08102	1.3
121.06545	0.9
123.04413	1.8
124.05212	3.1
125.06001	3.3
127.03873	1.6
128.06210	2.4
129.07001	9.2
131.04906	2.4
131.08575	1.1
133.06473	2.4
135.04416	39.1
136.04691	0.9
136.11230	1.9
137.05960	1.3
138.03084	1.7
138.12813	1.0
142.02631	0.8
143.04922	4.5
145.06526	4.8
149.02351	12.5
149.03432	1.9
149.06017	1.3
151.03868	1.3
152.04669	1.6
153.05484	6.5
155.04909	1.3
155.06038	1.2
157.06482	8.8
161.06013	4.6
162.12775	2.7
163.03900	1.7
165.05565	1.0
167.07037	49.0
171.04425	4.1
171.06543	5.3
172.05222	2.1
173.06027	5.6
174.06740	0.9
175.07498	1.7
177.05396	1.5
177.09007	0.9
179.07068	0.9
181.04956	100.0
182.05315	3.1
183.04414	1.4
185.05998	4.3
187.07504	7.7
189.05461	7.8
189.06993	1.4
190.06216	1.4
190.12128	1.3
191.07002	1.4
195.06531	2.9
200.04703	1.3
201.05476	12.3
203.07011	3.6
204.13858	5.2
205.08641	3.0
206.05733	1.5
207.06447	1.3
213.05457	2.0
217.08623	1.0
218.05768	3.0
219.06436	1.9
220.13292	1.8
221.07965	4.2
225.05302	0.9
231.06421	6.8
232.16948	1.4
233.06088	0.8
233.08075	22.4
234.06601	1.3
235.07539	1.4
235.09650	4.2
245.08125	1.9
247.07550	2.2
247.09828	1.4
249.07310	1.8
249.09450	1.3
251.09131	2.8
252.03897	0.9
253.04935	1.6
262.06265	1.2
263.09280	5.4
265.08600	1.8
275.07132	1.3
277.08502	2.9
288.08038	1.0
289.08591	2.0
291.06488	1.6
292.07312	1.0
293.08020	1.3
295.09604	1.4
299.05518	11.1
300.05972	1.1
307.09674	3.0
313.07153	1.5
314.07867	10.6
322.08365	1.0
323.09091	2.3
325.10693	1.8
327.08682	1.3
335.09012	1.4
337.10513	2.6
339.12369	3.4
340.09457	2.0
349.10660	4.3
355.11774	9.8
367.11749	5.6
373.12900	10.2
385.12817	51.9
386.13043	4.1
386.19412	2.1
388.21164	5.4
389.21497	1.6
402.71030	3.2
403.13977	8.4
403.21780	5.4
403.71570	2.7
404.20679	60.0
416.20560	1.8
418.22202	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	404.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28683	0.3
55.93060	0.3
56.96565	1.8
56.96799	0.3
59.04982	0.3
65.89204	0.3
66.03336	0.3
67.05502	1.0
69.03418	0.9
69.24719	0.4
69.76541	1.1
70.18180	0.3
74.24039	0.3
79.05503	0.6
81.07042	1.0
83.01339	1.0
89.03911	0.8
91.05482	1.3
93.07043	1.1
94.06544	0.6
95.04965	0.5
95.08599	0.5
98.97585	15.5
100.39451	0.3
104.04991	0.5
105.07050	0.3
106.06547	0.7
107.04940	0.9
107.08564	0.5
114.03394	0.5
116.05032	0.4
116.98615	6.2
118.06549	0.6
119.03699	0.4
120.04465	1.6
120.08116	0.9
121.06509	0.9
122.03661	0.8
128.04909	0.4
129.03601	0.4
129.04465	2.2
130.04027	1.2
131.05003	0.5
132.08099	0.3
133.05222	2.4
134.06017	6.1
134.99660	1.4
135.06400	0.4
136.11234	0.7
137.05969	5.7
140.00175	0.6
141.04472	1.2
143.03693	0.7
143.06026	2.6
144.04349	0.5
145.02832	1.7
145.05252	2.3
147.05515	0.4
155.03456	0.4
155.06013	0.8
156.04431	8.0
157.02831	0.4
161.06989	0.4
162.05466	0.6
162.12778	1.5
169.03915	1.8
170.04712	0.7
171.03214	0.6
171.05502	2.5
172.03932	9.5
173.04546	0.9
177.05470	1.2
182.04826	1.0
182.07130	1.2
183.05516	9.4
184.05920	0.4
186.05438	0.4
188.10738	0.4
199.05032	3.0
200.03442	3.8
200.05275	0.5
201.04167	3.9
201.06477	1.7
204.13808	2.3
210.04240	3.3
210.06627	1.1
211.05008	1.2
216.06544	4.0
218.08322	0.4
220.00285	0.4
220.13344	0.9
226.11105	2.7
232.16808	0.5
235.02783	9.6
235.05139	0.6
242.03207	1.4
244.12242	0.8
245.07181	0.5
245.09753	0.4
247.08612	0.3
253.03851	11.4
254.04207	0.4
258.07977	0.5
259.08444	0.4
268.12228	0.5
269.17529	1.1
271.04791	0.4
272.08252	3.8
273.06552	1.4
273.09055	2.4
274.07321	0.5
275.08051	0.4
276.05399	1.3
286.12939	0.5
287.08182	1.5
289.09723	0.6
300.07724	3.3
301.08398	5.6
303.07697	0.8
312.07642	0.7
315.10272	0.5
316.10803	3.1
317.08978	0.5
328.07132	9.2
328.10605	0.3
329.07928	37.2
330.08203	2.6
344.10312	28.1
345.10760	1.8
362.16565	0.3
372.09781	100.0
373.10110	8.4
386.19431	1.1
388.21078	0.7
389.21423	0.5
403.71768	1.0
404.16794	6.4
404.20694	16.4
405.22281	2.1
418.21564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01871	2.6
57.03440	2.4
59.04984	0.3
61.02929	1.7
67.05498	0.7
68.99785	1.0
69.03069	0.6
69.03432	11.2
69.21387	0.7
69.21792	1.4
70.03754	0.5
70.06596	1.0
71.04988	2.0
73.02932	1.7
74.75571	0.3
79.05472	1.0
80.05017	1.6
81.02956	0.5
81.03421	5.5
81.07067	1.9
82.06585	1.1
83.04994	0.4
84.08134	1.2
85.02909	23.1
86.09696	0.4
87.00830	9.1
87.04451	0.8
91.03928	0.7
91.05482	3.8
93.07037	1.2
94.06586	0.9
95.04988	1.1
95.08580	0.6
96.08118	1.1
97.02899	9.2
97.06522	0.6
98.06070	0.5
98.22692	0.8
99.04469	4.2
103.03938	1.4
103.05486	0.4
105.01871	11.7
105.07033	1.2
106.06552	0.8
107.04978	0.5
107.08608	1.1
108.08128	1.2
109.02897	5.0
109.06518	1.2
110.06003	0.4
110.09679	0.4
111.04464	0.4
111.08074	0.7
112.07558	0.4
115.03920	0.8
117.01862	0.7
117.07001	0.6
119.04956	4.1
119.08580	1.0
120.08092	1.3
121.06499	4.6
121.10165	0.6
122.09679	2.3
123.08068	1.0
124.07549	0.7
125.05993	1.3
127.03921	13.7
128.04196	0.4
128.07050	0.6
129.01814	0.9
130.06505	0.5
131.04918	1.4
131.08546	0.9
132.08090	1.7
133.06540	0.4
134.09647	1.2
135.04427	0.9
135.08040	0.7
136.07602	0.6
136.11185	0.7
137.05978	1.5
138.09172	1.1
144.08066	0.5
145.04962	7.5
145.06419	1.3
145.10124	0.5
146.09644	1.5
147.02852	0.8
147.04416	3.9
147.08031	0.6
147.10420	0.5
147.11737	0.6
148.07568	0.8
148.11197	0.6
150.09138	3.5
152.10706	1.0
157.04019	0.5
158.09645	0.5
159.02916	2.9
160.07579	0.5
160.11227	1.6
161.09634	0.5
162.09128	0.8
162.12759	1.1
163.07520	1.8
166.12300	0.9
168.10188	1.3
171.02901	0.5
171.07974	0.4
172.11185	0.7
174.09192	0.6
175.03922	6.8
176.10661	0.7
178.12302	0.5
180.10208	0.9
182.11763	4.3
184.11221	0.9
187.07614	1.9
188.10716	0.9
189.03940	3.6
189.09131	1.1
190.08667	0.4
190.12271	1.1
192.04124	2.0
192.13785	1.1
194.11783	0.8
198.11130	0.8
198.12874	0.4
201.09068	0.4
202.12303	1.5
204.13757	0.9
205.08662	2.6
207.06534	16.3
207.10118	0.8
207.13753	0.8
208.06787	0.4
208.13286	0.7
211.07596	0.6
213.03787	0.7
214.12219	0.6
218.11739	0.5
220.13318	5.1
221.13672	2.2
222.14017	1.9
224.16386	0.6
225.07573	7.2
229.08661	2.4
230.11774	0.4
231.05037	2.8
231.12469	0.4
232.13367	1.2
234.14977	0.8
242.11649	0.4
242.13716	0.8
246.15028	0.8
247.09697	2.7
249.06085	1.1
249.13741	0.9
250.14426	0.7
258.15164	0.5
260.16391	0.6
272.16092	0.4
274.14362	2.7
276.12198	0.5
276.15845	1.7
278.17340	0.5
282.17032	0.9
288.15958	1.8
290.17636	0.5
300.16043	0.4
306.17001	1.1
340.21051	0.7
358.20538	1.6
360.21542	0.5
368.18704	0.9
369.11905	1.0
376.21210	4.1
379.28577	0.3
386.19815	4.7
404.20654	100.0
405.13425	0.6
405.14886	0.6
405.20947	6.5
405.25842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	3.0
57.03431	2.5
61.02920	3.0
65.03941	1.0
69.03430	13.2
69.26582	4.3
69.26865	0.9
70.06577	1.2
71.04990	4.4
73.02909	2.4
75.20754	0.8
79.05489	1.1
81.03422	8.2
81.07043	0.8
85.02907	37.5
86.03247	1.1
87.00832	12.1
87.04474	2.0
91.03996	0.9
91.05482	9.9
93.07058	2.5
94.06548	1.2
95.04944	1.4
95.08641	0.8
97.02894	11.9
97.08911	1.0
98.97601	1.2
99.04464	4.1
103.03946	1.9
103.05447	1.1
105.01868	18.4
105.07041	2.0
107.08583	0.8
108.04453	1.0
108.08123	1.2
109.02885	8.5
109.06583	1.2
111.08105	2.1
115.03914	2.9
117.01869	1.3
119.04181	0.9
119.04951	11.5
119.08546	1.3
120.08115	1.9
121.06519	11.4
122.09677	2.2
127.03912	22.8
128.07101	1.3
129.01848	0.9
129.06966	0.9
133.06491	0.8
134.09663	2.6
135.08031	1.3
145.04964	15.6
145.06160	1.3
145.10130	0.9
146.09669	1.0
147.04408	12.2
148.07550	0.9
150.09113	2.8
152.10745	0.8
153.05490	2.3
157.03944	1.7
159.02856	5.4
160.11264	1.0
161.13274	1.6
162.09093	1.1
162.12799	3.5
163.06108	0.7
163.07535	1.6
163.13535	1.5
164.04587	1.3
168.10234	1.7
175.03915	24.4
176.10661	1.1
179.07048	0.9
182.11774	2.8
186.12794	0.9
187.07515	1.6
189.03947	4.3
190.12317	1.4
192.04193	6.4
204.13899	3.0
205.08775	1.7
207.06528	60.6
207.13808	1.1
208.06876	1.7
208.13400	2.2
218.11769	1.0
225.07588	24.3
226.07962	0.8
229.08588	1.7
231.05032	6.5
232.13321	0.9
232.16852	1.0
233.17317	0.8
234.14944	1.1
247.09732	2.0
248.07674	1.5
249.05969	2.1
260.16486	2.8
278.17502	1.4
292.71814	0.8
306.17236	1.6
334.16333	1.0
358.20074	1.5
369.11670	1.0
376.21246	1.7
386.19498	6.1
404.20688	100.0
405.11615	2.7
405.20865	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01872	0.7
57.03436	3.8
57.97874	0.7
59.13643	0.9
59.16444	0.7
64.16170	0.9
69.03440	4.5
70.06610	0.8
70.70799	1.7
71.05000	1.2
75.04495	1.8
77.03926	2.2
79.05496	2.9
80.05090	0.9
81.07043	3.3
84.08124	1.2
85.02906	7.0
87.04447	1.1
91.05483	69.4
92.05824	1.0
94.42498	0.7
95.01334	1.9
95.04977	5.6
96.08169	1.1
97.02929	3.9
99.00832	1.8
99.04462	1.0
103.03929	0.8
105.03394	100.0
106.03731	2.2
107.08596	2.5
109.06507	2.7
110.09666	1.7
113.02378	1.9
121.06520	3.8
123.04408	4.1
123.08019	0.9
124.08826	1.3
132.22354	0.8
134.09583	0.8
136.11261	1.1
137.05980	15.7
141.01816	5.0
149.09619	1.1
150.34189	0.9
162.12843	1.5
164.14301	0.8
176.14197	0.8
179.07033	29.4
180.07397	1.7
182.11804	0.8
193.08600	32.5
194.09048	0.9
197.08089	26.3
198.14880	1.3
207.06572	2.6
211.09651	14.5
212.10063	1.3
221.11748	2.9
250.17935	2.5
262.14133	0.8
277.06912	1.2
278.21130	1.9
288.15839	1.6
316.19040	2.2
330.16998	0.9
351.10544	1.0
369.11774	3.6
386.19559	1.6
398.26038	1.1
404.20404	27.0
404.24435	34.5
405.20309	1.4
405.24771	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	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05516	0.9
67.05499	1.1
69.03430	4.2
70.06584	1.3
71.04981	1.6
71.45568	0.5
73.02906	0.6
79.05496	3.9
80.04999	1.2
81.03417	2.0
81.07053	6.5
82.06583	1.5
83.01267	0.7
84.08143	4.8
85.02469	0.6
85.02917	5.8
85.06487	0.4
87.00841	2.2
91.05489	1.6
93.07024	1.3
94.06553	1.2
95.04957	1.1
95.08603	0.9
96.05701	0.6
96.08112	1.2
97.02876	2.6
97.08902	1.2
99.04458	1.8
105.01838	1.4
105.07017	1.5
106.06533	0.5
107.04954	9.1
107.08579	0.9
108.08125	1.3
109.02884	2.0
109.06514	3.4
110.09680	1.0
111.08064	1.1
117.07017	0.6
119.08519	0.6
120.08087	0.7
121.06526	1.1
121.90059	0.5
122.09673	3.8
123.04427	1.7
123.08071	0.7
123.10431	1.1
124.05208	4.8
125.06015	1.2
127.03918	4.9
128.20479	0.5
132.08138	0.7
134.09627	2.2
135.08070	1.9
135.43593	0.4
136.11255	3.2
137.05975	9.7
138.09239	0.5
138.12758	1.4
139.07536	100.0
140.07899	2.1
142.69836	0.4
145.04951	2.4
145.06416	0.5
145.10011	0.6
146.09657	0.6
147.02916	0.7
147.04367	0.7
148.11249	0.6
149.05992	1.0
150.09134	3.0
150.91936	0.5
151.07541	0.9
152.10716	1.2
159.02896	1.0
162.09122	0.8
162.12769	1.3
163.07529	6.8
164.10693	0.6
164.14352	1.2
166.12212	0.6
167.06999	0.8
168.10204	1.7
172.11183	0.9
173.09660	0.6
174.12788	0.7
178.12331	0.6
179.07036	1.3
180.13850	0.7
181.08585	3.6
182.11789	1.7
188.10640	0.6
190.12233	0.6
196.09624	0.7
198.12991	0.5
198.14880	1.2
202.12425	0.6
205.08595	2.0
207.13707	0.5
208.13341	1.7
214.12326	0.7
217.08598	9.3
218.11568	0.5
219.10255	0.5
220.13303	3.5
229.08626	0.8
231.04994	1.6
232.13278	0.7
234.14822	1.0
247.09756	2.7
248.20099	0.8
250.14214	0.9
260.16382	0.9
262.17984	0.9
270.15005	0.7
272.16440	0.6
276.19324	0.5
288.15939	16.6
306.17053	1.9
316.18936	0.8
318.17014	1.2
344.22314	0.9
358.20303	0.6
372.21729	3.3
376.24896	1.1
386.19559	3.7
387.20148	0.9
404.20609	62.8
404.24567	19.4
405.20468	2.8
405.25366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03431	2.0
61.02927	1.0
65.03944	0.9
67.05516	0.8
69.03441	6.3
70.06583	0.8
70.61755	1.2
71.04991	2.1
75.04470	1.2
79.05489	2.2
80.05003	1.9
81.03412	1.9
81.07072	3.1
82.06567	1.0
83.05019	0.8
85.02905	11.5
87.04473	1.1
91.05482	39.6
92.05830	1.1
94.06547	1.3
95.04963	1.0
95.57794	0.7
96.08125	1.2
97.02892	3.3
97.06537	1.7
98.97572	1.4
99.04475	1.9
105.01877	1.3
105.07021	2.0
106.06519	0.7
107.04954	1.9
107.08596	1.2
108.08118	0.9
109.02856	1.8
109.06525	1.5
110.09697	1.0
111.04432	0.9
111.08130	1.8
115.03930	3.3
117.07021	1.0
117.13225	0.7
119.04955	6.2
119.08583	0.9
120.08118	1.2
121.06499	1.8
121.10134	0.9
122.09649	1.9
123.08105	0.8
123.11692	2.1
125.05964	1.6
127.03910	5.6
130.06512	0.9
131.08565	1.3
133.04993	0.9
134.09660	2.0
135.04402	1.7
135.08023	1.2
136.11230	1.6
137.05959	3.4
137.09608	2.9
138.09151	1.8
139.07619	0.7
140.10765	1.3
143.08545	0.7
144.08136	1.0
145.04967	6.1
145.06200	1.0
145.10164	1.0
146.09636	1.3
147.04419	6.8
149.05977	3.9
150.09132	1.9
152.10670	1.6
153.05511	1.2
154.12245	1.1
156.10236	1.2
157.03902	1.0
159.08061	2.3
160.11240	1.0
161.06007	0.8
161.09555	0.7
162.12793	1.5
163.05908	0.9
165.05400	0.9
168.10178	1.6
170.09625	1.1
172.11292	1.0
175.03908	9.4
177.05461	0.7
180.10182	0.7
182.11734	1.8
183.06519	1.0
184.11174	0.9
187.07597	1.1
188.10680	1.1
189.09117	1.8
189.12617	0.7
190.12318	1.0
192.04201	3.6
193.08606	20.2
199.13295	1.9
204.13841	1.0
205.08662	1.2
207.06529	28.8
207.09988	1.1
207.13829	2.9
208.06985	0.9
211.09679	4.8
219.10254	1.2
220.13329	1.0
225.07584	12.8
232.13348	1.3
234.14992	0.9
247.09662	4.6
259.08337	1.1
272.16046	0.7
274.14368	1.2
276.15933	3.2
286.18103	0.9
292.15363	1.2
306.17038	1.2
309.08545	1.1
326.13980	3.7
330.17053	0.9
331.17880	0.8
358.20056	0.9
368.18604	6.0
369.11862	1.3
376.21152	0.9
386.19608	10.3
404.20676	100.0
405.11627	1.1
405.21042	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13754	0.5
52.14167	0.5
57.03435	4.4
65.03932	0.7
69.03429	1.7
69.36288	2.5
71.01349	1.4
71.04978	0.6
73.02905	1.2
75.04478	1.8
75.29234	0.6
77.03950	0.9
79.05485	1.4
81.07047	1.7
85.02898	6.5
91.05480	100.0
92.05811	2.5
95.01315	2.6
95.04961	1.9
97.02894	2.0
99.00780	1.1
99.04451	0.7
105.03391	49.9
106.03731	1.5
109.06519	0.6
113.02394	1.9
122.09724	0.6
123.04420	2.2
127.03901	1.9
131.03423	0.9
137.06006	8.3
137.32828	0.5
141.01825	5.0
145.36812	0.5
150.09131	1.5
151.54468	0.6
159.02910	0.7
168.10220	2.0
179.07031	15.1
182.11714	1.0
193.08600	53.2
194.08958	1.9
194.11824	0.9
197.08078	13.7
198.08420	0.7
211.09659	20.3
212.09999	1.0
224.35960	0.5
236.16579	0.6
244.47090	0.5
330.17004	0.9
351.10693	0.9
369.11780	2.0
386.19461	1.1
404.20663	23.3
405.20764	1.9
419.96918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57194	0.6
56.96569	16.3
62.81651	0.6
67.05507	2.3
69.07058	0.9
71.12089	0.8
71.95267	1.4
79.05489	0.9
81.07059	2.3
83.08611	0.6
91.05471	1.4
93.07065	1.3
94.04174	0.8
96.98388	0.8
97.99233	0.8
98.97585	100.0
99.97919	0.7
104.99245	0.8
107.08568	1.0
109.06502	1.1
109.10165	1.9
116.98625	53.5
117.06998	0.8
119.08556	0.7
122.03654	4.0
122.09641	0.9
134.99664	18.3
136.11240	1.5
137.05986	47.3
138.06360	1.1
140.00194	5.4
153.00697	1.7
158.01254	2.2
160.99091	0.7
179.00163	2.3
197.01180	2.2
197.50777	0.9
208.10158	1.0
211.02768	1.2
220.00414	1.8
224.09502	1.8
226.09070	1.2
226.11160	16.7
227.24519	0.7
229.14365	1.4
235.02777	65.9
236.03053	2.3
238.01416	2.9
242.10796	0.9
244.12248	7.7
253.03850	83.9
254.04184	3.4
268.12247	3.8
269.17426	1.8
271.04843	2.6
276.05438	11.2
277.05771	1.0
280.12152	1.0
286.13403	0.9
329.12909	1.5
344.15353	6.3
345.15506	1.0
362.16232	1.7
372.09485	1.5
374.09366	0.8
386.19315	0.7
404.17230	82.7
405.17499	7.1
405.22189	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2072
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
54.55880	0.4
67.05508	0.9
69.03442	3.9
69.23093	2.3
70.06570	0.4
71.05000	0.6
71.21468	0.4
79.05486	1.5
80.05015	0.9
81.07063	1.0
82.06635	0.4
83.01379	0.6
83.04929	0.4
83.07391	0.5
89.14700	0.4
91.05491	1.5
93.07018	1.0
95.04971	0.9
96.08145	2.3
97.06624	0.5
99.04403	0.5
100.11259	0.7
105.07020	0.7
106.06576	3.5
107.08587	0.9
108.08106	0.5
117.07037	0.9
119.07341	0.5
119.08593	0.6
120.08110	1.3
121.06491	0.7
123.10452	0.4
127.03934	0.6
128.06252	0.4
132.08081	0.5
134.09651	1.4
136.11229	3.3
138.12788	4.3
145.06479	0.4
147.08034	0.6
148.07579	0.9
151.03987	0.4
154.12254	1.6
155.03435	0.7
155.06996	0.6
159.08029	0.5
160.07498	0.6
160.11337	0.6
162.09175	1.1
162.12811	1.5
163.11168	0.8
164.10716	1.0
165.05524	0.9
173.05904	0.6
174.12845	0.7
176.14386	0.8
179.07051	0.8
183.06532	0.9
188.10611	0.6
192.13892	0.6
202.12386	0.8
204.13858	7.1
205.08583	0.5
205.14557	0.6
207.06487	0.6
220.13409	4.1
258.14941	1.1
275.12808	1.7
291.12354	2.2
292.15448	0.7
353.16217	0.4
371.17294	0.6
372.19955	0.4
386.19711	7.1
404.20700	100.0
405.21024	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	404.2069
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
53.03957	0.4
55.01873	1.4
57.07070	0.8
57.43123	0.3
60.04523	0.8
67.05505	1.5
69.03420	0.7
69.07051	0.5
69.79504	1.3
71.04984	0.7
79.05495	1.0
80.05031	0.7
81.02937	0.3
81.07058	0.6
83.01353	1.5
83.04973	0.5
85.06534	0.4
91.05492	1.5
93.07045	1.8
94.06548	0.5
95.04964	1.4
98.23400	0.5
99.04467	1.3
100.11279	0.3
105.07056	0.8
106.06569	1.6
107.04953	1.3
109.06512	1.1
112.07610	0.5
115.05457	0.4
117.07043	1.2
118.06558	1.4
119.04919	0.5
119.08566	0.7
121.06511	1.0
124.11250	1.0
127.03928	1.5
129.07014	0.7
131.08565	0.5
132.08061	0.5
133.06517	0.5
134.09622	0.4
135.08072	0.4
136.07600	0.4
136.11237	1.0
137.05981	0.5
137.09575	0.6
139.07576	0.5
141.05478	1.1
143.08623	0.8
144.08047	0.3
145.06519	0.7
145.10187	0.7
149.06058	0.3
149.09557	0.4
151.03911	0.6
151.07593	0.4
152.10770	0.5
154.12305	1.4
155.03412	1.2
155.07057	1.1
155.08516	0.6
157.06589	0.3
157.10075	0.5
159.08051	0.7
160.07620	0.6
161.06010	0.4
161.09578	0.9
162.09079	0.3
162.12820	0.9
163.11218	1.3
165.05519	2.4
167.07086	0.8
171.08102	1.0
173.05969	0.6
173.09639	0.9
174.12793	1.3
175.07664	0.4
176.14386	0.7
177.09218	0.4
183.06645	1.7
185.09628	0.4
187.07675	0.4
188.10710	0.9
191.07021	0.5
192.13852	0.5
195.06509	0.9
195.08095	0.5
199.07559	0.6
201.09140	0.6
202.12334	1.3
204.13818	1.2
205.08611	0.5
207.06380	0.4
207.10126	0.6
213.09140	0.6
220.13327	4.2
230.15482	0.3
231.10228	0.4
232.16957	0.4
248.16261	0.4
258.14896	0.9
259.09848	0.5
261.11261	2.3
263.09183	1.5
273.11234	3.1
275.12671	0.6
276.15854	0.4
299.12793	0.5
300.12445	0.7
315.15408	0.5
345.17139	0.4
368.18530	0.4
386.19629	0.9
404.20685	100.0
405.21017	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	404.2069
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
51.88683	0.4
54.17759	0.4
55.05490	0.5
58.08424	0.4
67.05498	0.8
68.54745	0.4
69.03436	4.9
70.46373	0.8
71.05003	0.4
78.38203	0.4
79.05492	1.8
80.04993	0.9
80.53180	0.4
81.07051	1.2
83.01341	1.5
83.07407	0.4
91.05476	2.5
93.07030	1.0
94.06591	0.8
94.79074	0.4
95.04989	0.5
96.04451	0.5
96.08141	0.5
98.06081	0.8
105.07032	1.4
106.06557	1.7
107.04942	0.4
107.08575	0.8
108.08154	0.9
109.06461	0.5
111.08099	0.8
112.07585	0.8
117.07040	0.9
119.08572	0.7
120.08129	4.2
121.06530	1.0
121.08920	0.9
122.09741	0.5
124.11239	0.4
127.03915	0.8
131.08611	0.4
133.08934	0.4
134.09666	0.8
135.08142	0.5
136.11215	4.2
137.06020	0.5
137.09673	0.5
138.12788	0.5
141.05518	0.5
143.08560	0.4
145.06485	0.8
145.10104	0.6
148.07591	1.0
152.10693	0.7
154.12296	1.9
155.03360	1.3
155.07068	0.7
159.07983	0.9
162.11438	0.7
162.12784	12.3
163.13338	0.5
165.05515	0.8
167.07053	0.7
169.10063	0.5
172.08798	0.5
172.38582	0.4
173.09583	0.7
175.07526	0.9
176.10739	1.0
176.14307	0.9
179.07083	0.5
180.22668	0.4
183.06523	0.9
190.12265	1.5
192.13895	0.5
195.06520	0.9
197.09634	0.5
204.13850	10.5
205.14229	0.7
217.08611	0.6
220.13293	0.6
221.08067	0.8
232.16960	2.1
233.08078	0.9
243.10222	1.8
247.09583	0.8
250.18066	0.6
261.11212	0.6
261.93277	0.4
263.09235	0.9
273.11218	1.2
275.12793	8.5
276.13174	0.6
314.17401	0.5
328.19302	0.6
358.19901	0.5
370.20056	0.5
372.17960	0.6
386.19620	0.5
388.21146	2.0
389.21713	0.6
402.22775	0.5
403.72015	0.7
404.20679	100.0
405.21027	8.4
420.23718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2069
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
52.79487	0.3
55.01860	0.7
55.05506	0.4
56.05023	0.4
57.03421	0.4
66.01867	0.3
66.64931	0.3
67.05487	0.6
69.03431	2.1
70.06580	1.8
71.04993	0.9
71.43981	0.4
72.08143	0.9
72.59081	0.4
72.69192	0.4
79.05490	1.3
80.04987	1.2
81.03416	0.6
81.07044	1.8
84.08126	1.3
85.02907	2.7
86.09705	1.1
87.00831	0.8
87.10015	0.7
91.05447	1.1
91.83601	0.4
93.07028	0.8
94.06564	0.7
95.04954	1.2
95.08592	0.6
96.08130	0.8
97.02864	1.2
97.06530	0.7
98.06081	0.5
99.04465	0.6
105.01868	0.4
105.07005	0.9
107.04944	0.9
107.08581	0.8
108.08104	0.6
109.06538	1.7
111.08113	0.8
119.04922	0.4
119.08559	1.0
120.08075	0.8
121.06499	0.6
122.09683	2.8
123.04421	0.6
124.07562	0.4
125.05976	0.7
125.09587	0.4
127.03892	1.1
132.08076	1.3
133.10085	0.5
134.09637	1.2
135.08075	0.6
137.05971	2.0
138.09122	0.8
142.08690	0.6
144.08080	0.4
145.04950	0.6
146.09622	0.7
147.04449	0.6
147.08113	0.4
148.07587	0.8
148.11195	0.8
149.80682	0.3
150.09148	3.7
152.10670	0.6
157.43456	0.4
158.09753	0.5
160.07489	0.4
160.11200	0.7
162.09206	0.6
162.12794	0.8
166.12267	1.5
168.10202	1.2
172.11331	0.8
174.09090	0.5
174.12758	0.6
175.03917	0.6
176.10590	0.4
180.10141	1.0
182.11736	3.8
184.13351	0.5
186.12796	0.6
190.12276	1.3
192.13713	0.5
194.11775	0.7
198.11211	0.8
202.12207	1.0
206.11795	0.6
206.15115	0.3
207.06503	1.5
208.13310	1.6
218.11740	0.7
220.13330	1.6
224.16437	0.8
225.07524	1.1
231.12399	0.5
232.13342	1.1
234.14879	0.8
248.12688	0.4
249.13564	1.2
250.14299	1.1
252.15860	0.5
258.14972	0.8
260.16446	1.7
274.14359	3.3
276.15958	2.1
278.17590	1.1
282.16968	1.1
288.15936	1.3
290.17490	0.7
306.17065	2.7
330.16907	0.6
336.17831	0.5
340.21359	2.6
358.20975	1.2
363.05573	0.4
368.19711	0.5
376.21112	3.4
386.21146	5.7
404.20618	100.0
405.20932	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2069
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
53.03955	0.1
55.01871	0.3
55.05506	0.4
56.05037	0.2
57.03410	0.2
59.04967	0.1
59.20426	0.1
65.03932	0.2
67.05502	1.0
68.05029	0.1
69.03431	2.6
69.07042	0.1
69.43355	0.4
69.62211	0.1
70.06583	0.3
71.04688	0.1
71.04998	1.2
75.04464	0.2
77.03921	0.1
79.05502	1.3
80.05027	0.6
80.38457	0.1
81.03420	0.1
81.07040	1.0
82.06576	0.2
83.01344	0.6
83.04966	0.3
83.07356	0.2
84.08137	0.2
85.02900	0.3
85.06533	0.4
86.06053	0.3
91.05480	5.7
92.05807	0.2
93.05788	0.1
93.07047	1.3
94.06576	0.5
95.04979	0.6
95.08591	0.3
96.08137	1.1
96.17463	0.1
97.06511	0.3
98.06076	0.1
98.09705	0.1
99.04432	0.8
105.03399	0.8
105.04520	0.2
105.07034	1.1
106.06557	0.5
107.04955	0.3
107.08586	0.7
108.05737	0.2
108.08130	0.6
108.08786	0.1
109.06521	0.6
109.08885	0.2
109.10095	0.1
110.09666	0.6
111.04408	0.1
111.08078	0.5
112.07613	0.2
113.05991	0.2
115.05450	0.2
117.05784	0.1
117.07011	0.6
118.06546	0.4
119.04922	0.3
119.07336	0.2
119.08568	0.7
120.08111	0.9
121.06503	0.8
121.08910	0.1
122.09695	0.6
123.04420	0.1
123.08038	0.4
123.10465	0.1
124.07576	0.3
124.11189	0.1
125.09627	0.4
126.09146	0.3
127.03892	1.1
127.86540	0.1
128.06206	0.3
129.07004	0.3
130.06525	0.2
130.07767	0.1
131.04932	0.1
131.08549	0.7
132.08061	0.6
133.06480	0.3
134.05942	0.1
134.09656	1.4
135.04353	0.2
135.08047	0.4
136.05281	0.2
136.07587	0.3
136.11188	1.3
137.05971	0.6
137.09601	0.1
138.09113	0.8
139.07556	0.3
140.10646	0.1
141.01805	0.3
141.05458	0.4
141.06970	0.2
143.08571	0.4
144.08109	0.2
145.06477	0.5
145.08981	0.1
145.10115	0.4
146.06055	0.3
146.09639	0.2
147.08083	0.4
148.07565	0.4
148.08708	0.2
148.11205	0.3
149.05974	0.2
149.08412	0.2
149.09523	0.2
150.09119	0.3
151.03937	0.2
151.07509	0.2
152.10724	1.2
153.05434	0.3
154.07724	0.1
154.12262	6.4
155.03386	1.2
155.07040	0.7
155.12569	0.3
157.06355	0.1
157.10101	0.2
158.07249	0.2
158.09669	0.3
159.08080	0.5
159.11694	0.2
160.07559	0.7
160.11223	1.2
161.06041	0.1
161.09575	0.1
161.11958	0.2
162.09113	0.6
162.12822	0.3
163.07581	0.3
163.11188	0.2
164.10718	1.1
165.05478	1.0
165.09108	0.2
167.07060	0.5
168.10196	0.4
169.06476	0.2
169.10135	0.3
171.10463	0.2
172.08885	0.1
172.11227	0.3
173.05992	0.4
173.09682	0.2
174.09151	0.2
174.12779	0.5
175.07607	0.4
176.10762	0.4
177.09129	0.2
178.12282	0.5
179.07031	0.8
179.10674	0.2
181.08617	0.3
183.06499	1.4
183.07948	0.2
184.11203	0.4
185.12083	0.3
186.12825	0.4
187.07535	0.3
187.11252	0.3
188.10718	0.5
189.09189	0.2
190.12172	0.3
191.07005	0.2
191.10677	0.2
192.13844	1.6
193.08586	1.8
193.14560	0.2
194.08847	0.1
194.11810	0.1
194.15331	0.2
195.06544	0.5
196.13361	0.3
197.09706	0.2
201.09081	0.3
201.12781	0.1
202.12257	0.9
202.24879	0.1
203.12950	0.2
204.07825	0.1
204.13846	0.3
205.08624	0.4
206.11769	0.2
206.33928	0.1
207.06554	0.4
207.10170	0.3
211.09624	0.8
212.14441	0.2
215.10690	0.3
216.10229	0.4
216.13884	0.1
217.08652	0.2
219.10217	0.1
220.13332	3.4
220.16708	0.2
221.08090	0.4
221.13916	0.5
222.14874	0.5
225.09177	0.2
226.12149	0.2
227.10558	0.1
229.12209	0.1
230.15320	0.2
232.16905	0.2
233.08083	0.3
235.09538	0.2
240.14023	0.2
243.10107	0.2
247.09625	0.5
248.16402	0.2
249.11310	0.5
250.18004	0.5
253.08847	0.1
257.11731	0.2
258.14847	0.6
261.11270	0.3
263.09106	0.5
273.11188	1.0
275.12784	4.1
276.12918	0.3
276.15875	0.2
278.17557	0.4
285.11270	0.2
292.15414	2.7
299.12726	0.2
316.15512	0.2
318.16934	0.2
330.17072	0.1
342.14630	0.2
346.16638	0.6
357.16940	0.4
361.18732	0.3
368.18631	0.4
371.17270	0.1
374.19968	0.2
376.21255	0.4
386.19608	1.2
389.18359	0.2
404.20651	100.0
405.20999	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	404.2072
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
52.36674	0.3
53.03935	1.0
55.01872	1.9
55.05509	0.4
57.03439	0.7
60.30382	0.4
61.02922	0.9
61.54049	0.4
67.05506	0.9
69.03429	8.1
69.57654	1.4
70.06591	0.8
71.04991	2.2
73.02905	1.0
77.03946	0.4
79.05491	1.3
80.05005	1.3
81.03414	3.0
81.07042	0.6
82.06599	0.4
83.07368	0.5
84.08148	0.8
85.02905	14.8
85.06565	0.7
86.06081	2.1
87.00828	4.7
87.04476	1.0
91.03976	0.7
91.05492	3.0
93.07053	1.5
94.06561	1.6
95.04981	1.0
95.08589	1.0
96.08137	1.1
97.02892	5.1
97.06529	1.5
98.23521	0.3
99.04444	2.3
103.03960	0.5
103.05507	0.4
105.01870	7.4
105.07041	1.5
106.06528	0.4
107.08620	0.8
108.04466	0.7
108.08111	0.8
109.02876	3.3
109.06496	0.6
111.08087	2.5
115.03928	1.4
117.01846	0.4
117.06989	0.8
119.04958	2.8
119.08588	1.9
119.36625	0.4
120.08121	1.0
121.06509	4.6
121.10170	0.4
122.09660	2.5
123.04424	0.7
123.08138	0.3
124.07648	0.5
125.02357	0.6
125.06002	4.6
125.09649	0.4
127.03910	8.6
128.04242	0.5
129.01878	0.4
129.07014	0.5
131.08559	0.4
133.06567	0.6
134.09648	1.8
135.04375	0.4
135.08052	1.4
136.11203	1.1
137.05954	0.5
138.09145	1.0
145.04950	6.2
145.06180	0.6
145.06493	0.5
145.10107	1.2
146.08543	0.3
146.09633	0.5
147.03354	0.4
147.04399	2.5
147.08052	0.7
147.11671	0.6
148.07584	0.9
149.05914	0.6
149.09627	0.4
150.09129	3.2
150.12695	0.4
151.07594	0.5
152.10678	1.7
153.05489	3.8
159.02898	1.4
159.08101	0.4
160.11133	0.4
162.09138	0.6
162.12785	1.6
163.07481	1.7
163.11214	1.0
164.10725	0.4
166.12350	0.4
167.07101	0.6
168.10208	1.7
172.11174	0.4
173.09605	0.8
174.12834	0.4
175.03903	4.1
175.07538	0.6
175.11191	0.7
178.12468	0.4
179.07010	0.5
180.10182	0.4
182.11775	4.8
183.06590	0.5
187.07614	0.8
189.03951	1.4
189.09103	0.5
190.12294	0.9
191.10623	1.7
192.04179	1.4
201.09119	0.7
203.10832	0.4
204.13847	1.5
205.08606	0.8
206.11591	0.5
207.06517	12.2
208.06898	0.5
208.13318	0.9
216.10185	0.3
216.13780	0.4
218.11758	0.9
219.10184	0.5
220.13306	0.5
222.14661	0.4
225.07585	4.8
229.08611	0.6
230.11778	1.2
231.05057	2.7
232.13324	0.8
232.16933	0.7
233.14035	0.5
234.14922	1.6
236.12921	0.4
237.11287	0.6
245.08104	0.4
247.09666	0.6
248.07840	0.4
249.06097	0.9
256.13159	0.5
259.08118	0.5
260.16531	1.2
271.73941	0.4
284.16510	0.7
312.15912	1.1
329.16220	1.0
330.16840	1.8
331.17584	0.8
342.20752	0.6
357.58896	0.4
358.20108	3.0
360.63303	0.4
368.18610	0.7
376.21240	0.8
386.19550	10.7
387.19946	0.8
403.72287	0.5
404.20676	100.0
405.11270	0.4
405.20984	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	404.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
53.79473	0.3
55.01868	1.6
55.05504	0.4
57.02848	0.3
57.03437	0.8
61.02934	0.5
67.05500	1.2
67.68768	0.3
69.03432	5.2
69.80827	1.3
70.06590	0.8
71.04998	2.6
73.02909	0.4
79.05480	0.8
80.05027	1.8
81.03413	1.7
81.07049	1.0
82.06580	0.4
83.01339	0.6
83.07328	0.4
83.68559	0.4
84.08121	0.7
85.02909	9.1
86.06055	1.7
87.00832	2.2
87.04469	0.7
91.05480	2.6
93.07037	1.8
94.06565	1.4
95.04962	0.5
95.08594	1.3
96.08142	0.8
97.02893	2.9
97.06525	1.4
98.06062	0.6
99.04453	1.6
105.01875	3.1
105.07028	1.5
106.06567	0.4
107.08601	1.0
108.08083	0.9
109.02875	2.2
109.06502	0.4
110.09676	0.5
111.08076	2.9
115.03942	1.5
117.06992	0.5
118.04198	0.4
118.80529	0.3
119.04952	3.5
119.08576	1.3
120.08128	0.9
121.06494	3.1
122.09687	2.4
123.04444	0.7
123.08100	0.7
124.07608	0.5
124.11182	0.4
125.02377	1.1
125.06001	3.5
127.03922	4.7
129.06998	0.4
131.08569	0.6
132.08086	0.6
133.04959	0.3
133.10193	0.4
134.09674	2.1
135.08046	1.7
135.10460	0.3
136.07561	0.4
136.11229	1.0
137.06044	0.7
137.11998	0.5
138.09158	0.7
139.07553	0.6
140.08322	0.4
145.04977	3.5
145.10153	1.3
146.09653	0.7
147.04404	2.8
147.08075	0.9
148.07573	0.4
148.11189	0.5
149.09630	0.6
150.09140	2.9
150.12851	0.5
151.07500	0.4
152.10712	1.5
153.05492	4.0
157.03937	0.5
159.02896	0.9
160.11209	0.5
161.09644	0.5
162.09140	0.6
162.12816	1.7
163.07497	0.7
163.11183	0.8
163.13484	0.8
163.71111	0.3
166.12283	0.5
167.07085	0.5
168.10172	1.8
172.11208	0.3
173.09604	0.6
175.03900	5.3
175.11148	0.8
176.10704	0.7
179.06979	0.4
180.08730	0.5
180.10214	0.5
181.08601	0.4
182.11784	5.4
187.77367	0.4
189.03938	0.8
190.12250	1.4
190.13885	0.3
191.10638	1.6
192.04175	1.3
194.11868	0.4
201.09146	0.9
202.12364	0.3
203.10703	0.5
204.13931	0.7
205.08661	0.7
207.06523	13.1
208.06898	0.5
208.13374	1.3
214.12329	0.6
218.11737	0.6
219.10226	0.9
220.13321	0.5
225.07588	5.0
230.11812	1.2
231.05009	1.2
232.13278	0.8
234.14809	2.5
236.12775	0.4
237.11298	0.8
244.96986	0.4
246.14847	0.5
247.09480	0.5
249.06099	0.4
260.16422	1.3
261.17175	0.6
262.18060	0.7
278.17416	0.6
284.16348	0.4
288.16013	0.8
290.17676	0.4
294.15109	0.3
306.16837	0.5
312.15829	1.3
312.19424	0.6
329.16263	0.8
330.17038	1.8
334.16348	0.7
340.19119	0.6
342.20700	0.5
358.20157	2.8
368.18445	0.5
372.20096	0.7
386.19498	8.5
387.20020	0.8
404.20670	100.0
405.21014	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	404.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
53.79473	0.3
55.01868	1.6
55.05504	0.4
57.02848	0.3
57.03437	0.8
61.02934	0.5
67.05500	1.2
67.68768	0.3
69.03432	5.2
69.80827	1.3
70.06590	0.8
71.04998	2.6
73.02909	0.4
79.05480	0.8
80.05027	1.8
81.03413	1.7
81.07049	1.0
82.06580	0.4
83.01339	0.6
83.07328	0.4
83.68559	0.4
84.08121	0.7
85.02909	9.1
86.06055	1.7
87.00832	2.2
87.04469	0.7
91.05480	2.6
93.07037	1.8
94.06565	1.4
95.04962	0.5
95.08594	1.3
96.08142	0.8
97.02893	2.9
97.06525	1.4
98.06062	0.6
99.04453	1.6
105.01875	3.1
105.07028	1.5
106.06567	0.4
107.08601	1.0
108.08083	0.9
109.02875	2.2
109.06502	0.4
110.09676	0.5
111.08076	2.9
115.03942	1.5
117.06992	0.5
118.04198	0.4
118.80529	0.3
119.04952	3.5
119.08576	1.3
120.08128	0.9
121.06494	3.1
122.09687	2.4
123.04444	0.7
123.08100	0.7
124.07608	0.5
124.11182	0.4
125.02377	1.1
125.06001	3.5
127.03922	4.7
129.06998	0.4
131.08569	0.6
132.08086	0.6
133.04959	0.3
133.10193	0.4
134.09674	2.1
135.08046	1.7
135.10460	0.3
136.07561	0.4
136.11229	1.0
137.06044	0.7
137.11998	0.5
138.09158	0.7
139.07553	0.6
140.08322	0.4
145.04977	3.5
145.10153	1.3
146.09653	0.7
147.04404	2.8
147.08075	0.9
148.07573	0.4
148.11189	0.5
149.09630	0.6
150.09140	2.9
150.12851	0.5
151.07500	0.4
152.10712	1.5
153.05492	4.0
157.03937	0.5
159.02896	0.9
160.11209	0.5
161.09644	0.5
162.09140	0.6
162.12816	1.7
163.07497	0.7
163.11183	0.8
163.13484	0.8
163.71111	0.3
166.12283	0.5
167.07085	0.5
168.10172	1.8
172.11208	0.3
173.09604	0.6
175.03900	5.3
175.11148	0.8
176.10704	0.7
179.06979	0.4
180.08730	0.5
180.10214	0.5
181.08601	0.4
182.11784	5.4
187.77367	0.4
189.03938	0.8
190.12250	1.4
190.13885	0.3
191.10638	1.6
192.04175	1.3
194.11868	0.4
201.09146	0.9
202.12364	0.3
203.10703	0.5
204.13931	0.7
205.08661	0.7
207.06523	13.1
208.06898	0.5
208.13374	1.3
214.12329	0.6
218.11737	0.6
219.10226	0.9
220.13321	0.5
225.07588	5.0
230.11812	1.2
231.05009	1.2
232.13278	0.8
234.14809	2.5
236.12775	0.4
237.11298	0.8
244.96986	0.4
246.14847	0.5
247.09480	0.5
249.06099	0.4
260.16422	1.3
261.17175	0.6
262.18060	0.7
278.17416	0.6
284.16348	0.4
288.16013	0.8
290.17676	0.4
294.15109	0.3
306.16837	0.5
312.15829	1.3
312.19424	0.6
329.16263	0.8
330.17038	1.8
334.16348	0.7
340.19119	0.6
342.20700	0.5
358.20157	2.8
368.18445	0.5
372.20096	0.7
386.19498	8.5
387.20020	0.8
404.20670	100.0
405.21014	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	404.2074
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
53.03954	0.5
55.01873	1.1
55.05500	0.9
56.05037	0.5
61.02895	0.5
67.05500	1.4
69.03428	4.1
69.07058	0.5
69.26778	2.3
70.06593	0.8
71.04987	2.5
73.37981	0.4
79.05507	1.3
80.05017	1.8
81.03429	1.4
81.07059	1.5
82.06573	0.9
83.01363	0.8
83.05001	0.8
84.08151	0.5
85.02905	3.0
85.06564	0.8
86.06084	0.5
87.00829	1.2
91.05484	2.8
93.06525	0.4
93.07037	2.3
94.06561	1.1
95.04998	0.7
95.08638	1.1
96.04484	0.5
96.08139	0.7
97.02906	1.8
97.06560	1.0
99.04471	1.0
105.01856	1.2
105.07041	2.0
106.06570	1.4
107.04926	0.7
107.08582	1.0
108.05742	0.5
108.08136	0.8
109.02895	1.0
109.06515	1.0
110.09663	1.0
111.08097	1.0
115.03943	0.6
117.07024	0.5
118.06564	0.8
119.04929	0.7
119.07322	0.5
119.08564	1.4
120.08095	2.9
121.06512	1.6
121.10157	0.6
122.09693	2.1
123.04449	0.5
123.08075	1.0
125.02374	0.5
125.05981	2.2
127.03933	2.7
129.07008	0.6
131.08571	1.9
132.06412	0.4
132.08087	2.0
133.06511	0.8
133.08899	0.5
134.09656	2.9
135.08051	1.2
136.07645	0.5
136.11214	1.0
136.98981	0.4
137.06003	1.3
138.09158	1.4
139.07742	0.4
143.08623	0.6
145.04916	1.6
145.10146	0.8
146.06035	0.8
146.09697	0.7
147.08089	0.5
148.07558	1.1
149.06001	0.7
149.09615	8.9
150.09163	1.8
152.10733	1.8
153.05461	4.6
154.12245	1.1
155.03400	1.5
155.06966	0.5
157.06599	0.4
158.09673	0.7
159.08011	0.5
160.07625	2.2
160.08859	0.5
160.11168	2.8
161.09631	0.8
162.09134	1.6
162.12798	1.8
163.07549	1.0
163.09840	0.6
163.11176	0.6
165.05490	0.9
167.07103	0.6
168.10223	1.6
168.63223	0.4
172.11287	0.8
173.09673	0.7
174.09142	0.5
174.12825	1.2
175.11278	0.6
176.10719	1.0
178.08679	0.5
178.12250	1.1
179.07080	1.3
181.08582	1.0
182.11789	0.6
183.06578	1.1
184.11249	0.8
185.12021	0.7
186.12860	1.1
187.07565	0.7
188.10690	2.1
189.12784	2.1
190.12227	1.1
191.06940	0.5
191.10710	1.0
193.08600	0.8
196.13402	0.5
202.12271	2.2
203.10712	0.5
203.12939	0.5
204.10213	0.9
204.13837	2.1
207.06564	1.4
207.13811	0.6
208.13245	0.5
212.14284	0.6
216.10199	1.5
219.10197	0.7
220.13321	8.0
221.13962	1.0
222.14938	0.7
230.11736	0.4
230.15511	0.6
231.04932	0.7
232.13336	7.3
232.16917	0.6
233.13661	0.6
234.14928	0.8
237.11287	0.9
240.13937	0.4
247.09639	1.2
249.11273	0.8
250.14404	0.6
254.89059	0.4
258.14938	2.2
276.16080	0.6
280.59998	0.5
292.15436	4.3
306.16919	1.2
312.15906	0.8
326.14117	0.6
330.16974	1.3
331.17795	2.6
340.19440	0.5
346.16595	0.6
358.20142	1.0
368.18481	1.2
376.21252	0.6
386.19675	5.5
387.19708	0.5
397.06046	0.4
404.20682	100.0
405.11655	1.0
405.21017	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	404.2069
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
51.54937	0.2
55.01876	0.4
67.05510	0.4
68.05011	0.3
69.03434	4.7
78.62019	0.2
79.05505	1.1
80.05026	0.4
81.07060	0.9
82.06593	0.6
83.01349	0.7
83.07352	0.8
85.05850	0.2
86.06058	0.4
91.05476	1.9
93.07038	0.8
94.06547	0.4
95.04985	0.8
95.08591	0.4
96.08130	4.3
98.06087	0.2
98.09685	0.6
98.22693	0.6
100.11236	1.1
103.05534	0.3
105.07034	1.1
106.06559	0.8
107.04996	0.4
107.08599	0.5
109.06504	0.4
115.05536	0.2
117.07021	0.8
119.08586	0.6
120.08086	1.3
121.06493	0.6
124.11245	0.4
126.09137	0.4
128.06186	0.3
128.10730	0.9
129.07010	0.8
131.08577	0.4
133.06505	0.4
133.08722	0.2
134.09663	1.0
135.04446	0.3
135.07983	0.4
136.11215	2.1
137.06027	0.4
138.12785	8.1
139.03926	0.8
141.07008	0.3
142.07820	0.6
143.08611	0.4
144.08165	0.3
145.06509	0.6
146.09589	0.2
147.08049	0.5
148.07581	0.6
149.60742	0.2
150.09196	0.3
151.07486	0.3
152.10747	0.7
153.01830	1.2
153.05455	0.4
154.12267	0.9
155.03471	0.3
155.08580	0.3
157.10153	0.5
159.08057	0.7
160.11215	0.4
162.09154	1.1
162.12785	1.3
164.10748	0.5
164.14325	0.3
165.05524	0.6
165.07079	0.3
174.12811	0.3
175.07568	0.3
176.14345	1.9
177.05505	0.3
177.08986	0.3
185.09676	1.0
187.07574	0.3
188.14323	0.3
191.07016	0.3
192.13861	0.4
193.04950	0.7
195.08060	0.3
203.07063	0.3
204.13835	11.9
205.14424	0.5
206.15450	0.6
213.09103	0.8
217.12297	0.4
219.06584	0.6
220.13364	0.5
227.10645	0.3
232.16994	0.6
234.18625	0.5
245.08131	0.4
245.11752	0.3
247.09599	0.7
259.09726	0.7
260.16495	0.3
273.11313	1.0
275.12842	0.8
279.08752	0.8
283.09717	0.3
291.12256	3.7
339.15961	0.3
358.20343	0.4
376.21655	0.4
386.19592	3.3
404.20679	100.0
405.20969	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	404.2069
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
53.03914	0.4
55.01861	0.8
55.05496	0.4
61.70371	0.5
67.05496	1.7
69.03057	0.8
69.03424	7.7
70.06594	2.0
71.04585	0.4
71.04983	1.8
75.75144	0.4
78.34775	0.4
79.05508	3.0
80.05015	0.9
81.07052	7.3
82.06554	0.7
83.01368	0.5
84.08133	1.1
85.06508	0.5
86.06059	0.5
91.05484	2.7
93.07048	2.3
94.06566	1.4
95.04954	1.3
95.08604	1.5
96.05746	0.5
96.08119	1.8
96.51140	0.4
97.02864	0.9
97.08881	0.8
99.04454	0.9
105.07040	2.1
105.75065	0.4
106.06563	0.9
107.08583	3.7
108.08121	1.0
109.06509	3.5
110.09704	2.2
111.08079	2.0
117.07016	0.7
119.08579	1.3
120.08095	1.3
121.06487	0.9
121.42129	0.5
122.09680	1.8
123.08083	1.7
123.10420	0.5
124.08859	1.7
127.03908	0.7
129.06992	0.6
130.06503	0.4
132.08076	0.7
134.09674	2.2
135.04369	0.5
135.08023	1.2
136.07661	0.6
136.11223	1.6
137.05986	19.5
138.09120	1.5
138.12813	0.8
143.08566	0.8
145.10109	0.6
146.09601	0.6
147.08058	0.9
148.07573	0.5
148.11253	1.0
150.09154	1.1
152.10692	2.0
153.05524	0.5
154.12286	5.1
155.03380	1.4
159.08049	0.7
160.07538	1.0
160.11220	1.6
162.09161	1.1
162.12798	3.5
164.10693	1.1
164.14322	0.5
165.05522	0.9
168.10181	0.8
169.10188	0.6
170.08049	0.4
172.11212	0.7
173.05783	0.5
174.12773	0.7
175.11188	0.7
176.10690	0.5
178.12210	0.7
179.07048	1.2
182.11810	0.7
183.06531	0.9
188.10625	1.0
190.15878	0.8
192.13838	1.4
192.17458	0.6
196.13411	0.6
198.14900	2.4
202.12338	1.3
203.10562	0.6
207.06480	0.7
210.14970	0.7
216.10107	0.6
217.08574	0.7
218.15344	0.8
219.10136	0.6
220.13309	4.5
221.08121	0.5
221.11763	5.0
221.13794	0.9
222.14989	1.0
233.07971	0.4
236.16432	4.5
247.09618	0.6
249.11200	0.9
250.18004	4.8
258.15030	0.8
263.09216	0.5
273.11243	0.6
275.12778	3.2
278.18198	0.6
278.21027	2.7
292.15417	2.4
292.18903	0.8
316.19009	6.1
330.16855	1.2
346.16522	0.7
368.18167	0.5
386.19623	2.9
404.20517	100.0
404.24521	47.1
405.20349	9.8
405.24902	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	404.2069
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
53.77264	0.5
55.01857	2.0
55.05503	1.3
56.05006	0.7
57.07078	0.7
59.04974	0.5
67.05494	3.3
68.05029	1.1
69.03431	6.8
69.07058	0.9
70.06589	4.5
70.28629	1.3
71.05009	1.2
79.05489	2.5
80.05009	2.1
81.03428	0.5
81.07036	1.3
82.06585	1.2
83.01326	1.7
91.05482	3.3
93.07041	2.0
94.06561	2.1
95.04959	2.1
95.08607	2.6
96.04489	1.9
96.08141	1.9
98.06043	1.0
99.04459	1.4
105.07046	2.8
106.06558	2.5
107.08623	1.1
108.08133	1.5
109.06520	1.7
110.06084	0.5
110.09691	0.6
111.08073	1.2
117.07012	1.4
118.06554	1.3
119.07266	0.7
119.08596	1.3
120.08107	4.1
121.06503	2.2
122.09663	1.7
123.08076	1.0
124.11259	0.8
125.05979	2.3
126.09144	4.1
127.03893	2.2
128.06166	0.8
129.07060	1.5
131.08565	1.6
132.08102	1.3
133.06482	1.0
133.08846	0.7
133.10117	0.7
134.09625	3.3
135.07990	0.7
136.07587	1.6
136.11191	1.4
137.05963	2.0
138.09090	1.1
138.12767	1.3
139.07545	1.0
141.05467	0.7
142.07829	0.7
143.08582	0.7
145.06483	1.3
145.10077	0.9
146.09639	1.3
147.08061	0.8
148.07585	1.7
148.11253	0.8
149.05925	0.9
149.09621	1.4
150.09108	2.2
151.03983	0.6
151.07535	0.8
152.10712	1.2
154.12256	1.5
155.03427	2.9
155.07051	1.3
156.10193	0.7
157.10068	0.9
159.08150	0.6
160.07559	0.7
160.11226	2.0
161.05986	0.6
162.09113	1.5
162.12764	5.2
163.11174	0.9
164.14330	0.8
165.05467	1.2
165.09250	0.5
167.07074	1.5
168.10207	3.4
172.11217	1.1
173.09650	1.0
174.12721	1.3
175.11153	0.9
176.10712	1.3
176.14369	2.3
177.08992	0.7
178.12245	1.2
179.07063	0.8
183.06541	2.2
184.11125	1.0
186.09018	0.6
186.12732	1.2
188.10713	2.1
190.12308	2.2
192.13844	1.0
202.12227	1.4
203.13028	0.8
204.13821	11.3
206.15515	0.9
208.13446	0.7
214.15909	0.7
220.06787	0.6
220.13309	4.3
222.14937	1.2
226.12427	0.7
229.14308	0.7
230.15393	1.3
232.16916	1.6
233.11687	1.4
240.13843	1.3
242.15446	1.4
247.09421	2.8
249.11247	4.1
250.12096	0.7
258.14944	2.8
262.14407	1.4
268.13400	0.9
275.12534	0.9
276.15839	0.8
282.14600	0.6
298.14313	1.0
300.16000	2.4
301.19495	0.6
302.13696	0.7
314.13724	0.6
316.19305	1.0
328.19031	3.3
329.07776	1.2
342.17139	0.7
342.20905	0.6
344.10333	1.2
344.14728	1.0
346.16193	0.6
358.20032	0.8
360.17996	11.4
360.21793	3.7
361.18130	1.0
362.15869	0.8
368.18433	0.7
372.09625	3.3
386.19681	6.5
388.21490	1.2
389.21512	1.2
403.71826	3.3
404.20679	100.0
404.72031	0.8
405.20950	9.1
418.21951	0.7
419.22678	1.0
420.23227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
53.29543	0.4
55.01875	1.4
55.20688	0.4
56.05032	0.6
57.03430	1.0
59.04997	0.5
67.05488	0.8
69.03426	5.3
69.60838	1.8
70.06575	0.7
71.04985	0.7
79.05493	1.7
80.05021	1.5
81.03416	1.5
81.07068	1.4
81.38628	0.4
82.06588	0.8
83.01353	1.0
85.02908	6.3
85.06548	0.9
86.06058	1.0
87.00830	2.3
87.04461	0.7
91.05489	2.1
93.07051	1.9
94.06572	1.6
95.04969	0.8
95.08607	0.6
96.08133	1.0
96.13344	0.4
97.02898	2.8
97.06533	3.6
97.08949	0.4
98.06051	0.5
98.23464	0.8
98.97622	1.1
99.04453	1.1
103.03954	0.5
103.66271	0.5
105.01869	2.5
105.03412	0.6
105.06997	0.9
106.06561	1.2
107.04956	0.6
107.08607	1.4
108.08150	0.9
109.02864	1.6
109.06496	1.1
110.97302	0.5
111.07449	0.4
111.08073	2.6
117.07011	0.7
119.08595	1.5
120.08117	1.6
121.06528	2.6
122.09648	2.6
123.08102	0.5
124.07629	0.6
125.02348	1.2
125.05989	7.4
127.03918	4.5
133.06471	0.7
134.09692	1.1
135.04433	1.6
135.08084	2.9
135.10469	0.9
135.11638	0.4
136.11188	1.0
137.05988	0.7
139.07539	0.7
143.08551	0.6
145.04906	2.2
145.06592	0.9
145.10127	1.8
146.09592	0.6
147.08051	0.7
148.11203	0.8
149.05972	1.4
149.09654	1.2
150.09160	3.2
151.07523	0.8
152.10716	1.7
153.04236	0.9
153.05470	17.7
159.02878	0.7
160.11255	0.9
161.09673	0.6
162.09183	0.6
162.12808	1.8
163.07549	2.6
163.11186	1.6
164.10599	0.5
164.14320	0.4
165.09148	0.5
167.07091	0.5
168.10208	5.7
172.11417	0.5
176.10764	0.9
176.14406	0.6
178.08716	0.5
178.12224	0.5
179.06961	0.5
180.10185	0.5
181.08623	2.1
182.11803	1.8
186.12820	0.5
187.07642	0.7
188.10739	0.8
188.14438	0.6
189.04010	0.9
189.09068	0.6
190.12267	0.6
191.10687	2.5
202.12192	0.6
204.10272	0.4
204.13855	2.6
205.08702	0.9
207.10275	0.6
207.13802	0.9
208.13339	0.7
219.10191	1.6
220.13362	2.1
229.08600	0.8
231.04872	0.5
232.13335	9.2
232.16870	0.8
233.13702	0.5
234.14931	1.8
237.11166	2.5
247.09674	2.0
257.61423	0.4
258.14902	1.4
260.16724	0.5
276.16061	0.7
277.23349	0.4
286.17963	0.5
291.84863	0.4
292.15512	0.7
306.16959	1.1
309.08527	0.8
326.14087	0.6
330.17014	1.0
331.17850	3.3
351.10699	0.6
358.20230	0.8
368.18423	0.7
386.19501	4.7
404.20673	100.0
405.21075	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	404.207
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
55.01871	0.6
67.05491	0.6
69.03436	3.1
70.61813	0.4
71.04993	0.8
79.05487	1.2
79.91314	0.3
80.05000	0.4
81.07043	0.8
82.06559	0.5
83.01327	0.4
83.07368	0.4
84.08135	0.3
86.06081	0.4
91.05488	0.9
93.07059	0.9
94.06561	0.6
95.04984	0.7
95.07307	0.3
96.08138	2.4
97.06510	0.4
98.09691	0.4
99.04445	0.4
100.11255	0.5
100.99150	0.3
105.07035	0.8
106.06558	1.4
107.04927	0.4
107.08580	0.8
108.08135	0.5
110.09719	0.5
115.05444	0.3
117.06993	0.4
119.08565	0.8
120.08102	0.9
121.06501	0.4
123.08091	0.4
124.11225	0.5
125.48290	0.3
126.09122	0.4
127.03897	0.6
128.10727	0.7
129.06999	0.5
131.08560	0.3
133.08911	0.4
134.09674	0.6
134.92685	0.3
136.11223	2.1
137.05920	0.4
138.09195	0.4
138.12758	3.2
139.07549	0.3
140.10684	0.3
141.06970	0.4
143.33685	0.3
145.06485	0.4
146.05997	0.3
147.07991	0.4
148.07626	0.5
148.11188	0.3
149.09581	0.3
150.09167	0.4
152.10707	0.7
153.01816	0.3
154.12285	1.9
155.03410	0.6
155.07008	0.4
159.08044	0.7
160.07607	0.3
160.11275	0.5
162.09137	0.6
162.12805	1.1
163.11180	0.4
164.10704	0.6
165.05504	0.9
169.10176	0.5
171.08131	0.3
173.06020	0.3
173.09586	0.3
174.12769	0.4
175.07596	0.5
176.10597	0.4
176.14291	0.6
178.12303	0.4
179.07076	0.4
183.06567	1.0
183.08043	0.3
185.09564	0.3
187.11148	0.4
188.10622	0.4
192.13782	0.4
195.06549	0.3
199.07545	0.4
202.12292	0.6
203.06946	0.3
204.13846	4.3
204.15610	0.2
205.08594	0.4
205.14468	0.4
206.15384	0.5
207.06520	0.4
220.13322	2.3
232.16942	0.4
233.08040	0.4
239.10594	0.3
245.11917	0.3
247.09656	0.8
249.11319	0.4
258.14886	0.4
273.11188	0.6
275.12735	2.2
276.16083	0.5
289.10703	0.9
291.12271	2.0
292.15421	0.6
347.84506	0.3
358.20255	0.5
361.18732	0.3
368.18484	1.7
371.17325	0.3
386.19574	4.8
387.19632	0.3
404.20667	100.0
405.21005	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05494	2.1
57.03441	6.8
61.02906	2.5
67.05496	1.7
69.03432	5.6
69.07065	1.2
70.06563	2.0
70.42571	2.5
71.04991	10.8
78.87517	1.2
79.05486	1.8
80.04546	1.4
80.05019	19.0
81.03416	1.7
81.07044	3.1
82.06586	1.9
85.02910	15.1
85.06535	1.5
87.00800	1.8
91.05444	3.3
93.07049	2.1
94.06538	4.4
95.04412	1.3
95.04971	14.8
96.08138	1.3
96.23869	1.1
97.02832	1.7
97.06506	2.0
98.22815	1.2
99.04453	9.9
105.01819	1.5
105.07014	1.2
106.06529	2.7
107.08589	2.0
109.02865	1.4
109.06474	1.2
111.08061	2.1
117.05453	2.9
120.08079	4.9
121.06469	3.3
122.09623	2.1
123.04381	1.3
125.09631	2.8
127.03927	2.4
131.08530	1.4
132.08067	2.3
134.09645	3.8
135.08089	1.2
136.07512	1.6
136.11221	1.4
138.09164	10.0
144.08000	1.2
145.04910	2.1
148.07585	5.8
148.11218	6.0
150.09093	2.2
152.24232	1.0
153.09026	1.0
154.12248	1.9
158.09630	1.4
160.07602	2.6
162.09102	2.3
162.12720	4.2
163.13496	3.0
166.08582	1.9
166.10971	1.3
166.12285	22.4
172.07526	2.3
175.03943	1.2
180.13680	1.3
184.09674	7.5
185.11800	1.5
186.12753	1.4
188.14322	1.1
190.12300	1.5
202.12196	3.0
204.13768	1.9
206.15402	2.8
207.06448	3.1
207.13765	1.7
208.13353	2.3
214.12198	3.9
220.13298	10.0
224.16463	14.6
225.07510	1.3
230.11821	1.1
232.11388	1.3
232.13354	12.5
234.14835	3.4
242.13905	1.4
246.15018	1.1
250.14287	6.0
252.15738	3.2
256.16788	1.3
260.16360	3.3
262.17892	1.3
264.19525	2.1
270.17059	6.5
272.16309	2.5
277.68655	1.3
278.17606	1.6
290.17499	13.3
308.18442	7.2
310.20093	3.2
313.94507	1.3
318.16888	1.6
322.20016	1.7
336.14322	1.4
336.18057	12.3
340.21204	23.6
341.21661	1.4
354.19003	2.9
358.21948	3.9
368.20782	2.7
370.58316	1.1
386.21786	100.0
387.22037	9.0
404.20572	67.8
405.20615	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	404.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.86978	0.3
65.03920	1.0
66.66457	0.3
67.05490	1.1
69.03416	0.9
69.14243	1.0
69.14661	1.1
70.06588	0.7
79.05492	1.7
80.05006	0.6
81.07056	2.0
84.08140	0.4
85.02882	0.4
91.05476	0.9
93.07063	0.6
94.06575	2.1
95.04957	0.6
95.08592	0.4
96.08154	0.4
99.04452	0.5
105.07014	0.8
107.04956	2.5
108.08157	0.4
109.06507	0.8
110.03696	0.4
115.05479	0.5
117.07000	0.5
117.92582	0.4
119.08598	0.4
120.08047	0.5
121.06456	0.4
122.09642	0.6
123.04422	0.3
124.05177	0.3
124.11184	0.3
125.05952	0.5
127.03925	0.5
129.07024	0.8
134.09641	0.8
134.48410	0.3
136.11211	100.0
137.05975	5.9
137.11545	3.7
138.83908	0.3
144.05728	0.5
145.06479	1.3
146.09618	0.4
149.05960	0.6
149.12039	0.4
150.09137	0.6
151.03882	2.0
152.04655	0.5
153.05482	0.5
157.06441	0.9
161.06024	0.7
161.09721	0.3
162.12836	0.6
164.07121	0.3
164.14198	0.4
167.07040	7.1
171.04396	0.6
171.06502	0.7
172.05119	0.4
173.05968	0.4
175.07578	0.7
178.15781	0.5
181.04944	9.7
182.11691	0.6
187.07574	0.3
189.05505	0.5
189.09082	0.5
191.06908	0.5
203.07042	1.0
205.08611	0.7
217.08617	1.2
221.08136	1.1
233.08066	4.7
235.09671	1.0
251.09227	0.7
255.06300	0.5
260.13934	0.4
260.16437	1.9
262.17960	0.6
263.09204	0.8
266.17465	0.5
267.18277	4.8
268.18988	0.6
276.19553	0.8
278.17645	0.3
288.15897	2.0
301.06946	1.3
306.17032	0.4
316.09335	1.1
344.22006	0.5
357.13293	1.0
369.13336	0.5
372.21695	0.5
375.14255	1.2
376.25079	0.5
386.19443	1.8
387.14380	5.5
404.20355	8.9
404.24271	33.0
405.15289	0.7
405.19995	0.7
405.25180	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83099	1.9
55.01886	3.3
57.03432	8.8
57.07077	15.1
67.05502	5.8
69.07056	3.5
69.36337	10.2
70.06586	5.6
71.04994	38.1
71.08624	19.0
81.07056	15.3
83.79647	1.9
85.10186	9.4
85.18488	2.1
86.30661	2.3
89.06045	2.2
91.05463	2.8
95.08597	16.9
107.08575	2.4
113.00018	2.7
113.09642	100.0
115.08701	8.4
116.91760	2.2
122.71072	2.2
129.05452	4.7
137.13261	3.2
141.09091	46.1
155.14296	7.9
161.45837	1.8
169.02565	3.6
190.82172	2.2
197.26872	2.2
215.12730	7.1
219.17444	5.1
229.17973	73.3
230.18362	6.1
279.31876	2.0
283.19028	6.4
369.26376	72.4
370.26764	5.3
404.20596	18.0
404.39923	2.5
405.73862	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	22.8
55.05510	18.7
57.03432	8.1
57.07083	6.6
58.06619	4.2
59.05242	4.4
61.07739	3.6
67.05507	35.7
69.03419	11.0
69.07067	18.0
69.36078	22.0
71.05004	4.2
71.08627	11.5
75.86674	4.3
79.05492	24.6
81.07053	41.5
83.04982	7.7
83.08627	24.3
84.15701	3.7
85.06539	4.3
85.10168	10.7
86.67442	4.1
91.05495	23.1
93.07042	23.0
95.04978	9.7
95.08604	27.3
97.06529	8.9
99.08083	17.8
104.99272	12.1
105.07033	32.1
107.08603	19.0
109.06516	12.7
109.10143	8.7
111.08081	30.0
113.09663	11.9
119.08578	21.4
121.06519	6.8
121.10149	13.3
123.08070	6.1
123.11742	6.4
129.07013	5.3
133.10139	15.4
133.69637	4.7
135.08034	13.8
136.11191	8.1
137.05984	15.7
147.07996	4.6
147.11697	17.8
149.13263	6.6
151.11200	11.3
153.12743	6.7
159.11685	6.8
161.13254	10.9
163.11197	7.0
165.12766	16.0
171.11705	4.9
173.02768	4.1
175.07634	5.5
175.11179	4.6
179.14326	6.5
196.09760	4.5
200.14273	6.9
203.10747	4.8
236.03860	4.2
249.22067	5.5
259.20538	8.6
262.98206	6.7
274.18076	6.6
277.21603	72.9
295.22736	20.3
306.02844	4.3
306.17075	4.9
351.25299	72.8
352.25528	12.8
369.26370	64.6
370.26483	7.7
374.09491	5.1
386.19797	6.8
404.16360	5.4
404.20648	100.0
404.25427	8.6
405.22180	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	404.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.01856	2.6
55.05516	9.4
57.03436	7.8
57.07076	1.6
63.72887	1.8
67.05163	2.1
67.05505	28.5
68.04977	1.3
69.03405	5.1
69.07062	10.0
71.04971	3.4
71.08635	9.7
79.05491	16.9
81.03403	2.0
81.07053	27.9
83.01328	2.3
83.04971	6.5
83.07325	1.3
83.08601	6.0
84.06188	1.3
85.06515	1.6
91.05486	12.7
93.07046	22.4
95.04975	6.5
95.08611	12.7
96.08121	1.8
97.06518	6.0
97.10145	3.1
99.08119	7.5
105.07056	9.4
106.06564	2.1
107.08601	11.3
108.08138	1.8
109.06511	2.8
109.10175	2.5
111.08065	4.8
117.07022	4.7
119.08569	5.9
120.08096	4.7
121.06497	2.0
121.10178	6.3
123.08042	2.1
125.09621	2.5
129.06981	1.6
131.08510	3.2
133.10098	7.2
135.08026	1.8
135.11693	3.9
136.11230	3.1
137.05995	1.6
138.09077	1.4
138.12816	1.6
139.07555	1.8
139.11182	2.0
143.08571	1.4
145.10156	2.3
148.07553	2.0
149.13257	8.1
151.11166	7.5
153.05493	1.4
159.11722	8.2
160.11174	1.6
161.13251	4.4
162.12769	9.5
163.11203	4.0
164.14281	2.0
168.10179	1.3
173.11749	2.4
174.12450	1.2
175.14845	2.1
176.14459	1.2
177.12727	6.9
179.14282	5.2
189.11296	2.4
192.13808	2.4
195.13803	4.6
204.13837	10.8
220.13330	7.8
227.12883	1.6
229.14407	1.6
232.16893	3.6
248.16405	1.6
253.17842	1.7
259.20581	3.5
269.17471	36.8
270.17773	3.1
277.21680	9.4
310.17249	2.3
340.18970	2.6
351.25189	12.8
358.19952	1.5
368.18579	3.3
386.19543	14.6
387.20416	1.6
388.21136	5.0
389.21378	2.7
403.71634	3.9
404.20657	100.0
405.21362	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	404.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	28.1
57.03450	17.1
67.05506	50.1
69.07076	23.8
70.06606	16.7
71.08646	23.4
71.43739	8.9
79.05495	28.9
81.07059	91.0
83.08641	13.7
85.65336	9.3
91.05482	31.3
93.07047	44.3
95.08610	40.4
97.06539	12.3
104.99293	34.3
105.07068	15.3
107.08620	34.5
109.06550	12.0
109.10143	14.5
111.08051	15.0
117.07085	13.3
125.09601	18.2
137.06010	17.0
149.13280	18.3
151.11211	11.9
157.79773	11.8
159.11708	24.9
177.12726	18.8
179.14211	11.6
195.13931	12.7
259.20731	11.8
262.98141	17.3
269.17419	72.9
270.17621	12.1
277.21701	26.1
300.13730	10.9
322.98822	11.2
351.25269	31.1
404.20657	100.0
405.21518	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	404.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.9
56.96567	15.8
57.03447	7.9
57.07054	3.1
62.00960	2.2
67.05505	40.4
69.03459	3.0
69.07070	11.2
69.54667	2.5
70.06614	2.0
71.05002	3.9
71.08647	2.9
71.46484	2.0
79.05489	18.7
81.03416	3.3
81.07063	31.5
83.04983	6.0
83.08628	5.6
91.05495	15.9
93.07058	23.9
95.04968	8.0
95.08631	12.4
97.06525	5.1
97.10181	3.4
98.97585	85.8
99.08106	4.2
102.85296	2.4
104.99274	5.7
105.07037	14.1
107.04972	4.4
107.08613	11.2
109.06516	3.7
109.10152	16.6
110.09691	2.2
111.08105	6.0
116.98618	51.5
117.07041	6.0
119.08587	7.0
121.10155	7.7
122.03648	7.0
122.09708	2.5
125.09618	3.6
127.01234	2.0
129.01822	2.7
129.07047	2.5
131.08549	3.1
133.10130	7.6
134.06024	7.2
134.99669	19.3
135.08113	2.8
135.11658	4.2
136.11230	26.8
137.02351	9.7
137.05974	60.9
140.00200	5.4
143.06099	4.9
145.05150	2.4
147.11775	2.7
149.13309	7.0
151.11179	4.2
156.04425	9.2
158.01245	2.7
159.11700	10.1
167.07089	4.3
171.05554	4.0
172.03934	8.0
173.11758	6.8
177.12759	7.7
179.14342	4.5
183.05583	7.3
195.13814	4.5
197.01245	2.6
199.05127	2.6
210.04272	5.0
226.11084	17.8
227.12778	3.9
229.14360	20.0
235.02779	51.0
235.15686	8.9
236.16441	8.4
241.19633	3.7
244.12257	7.3
253.03862	71.9
254.04265	5.1
259.20621	5.1
262.98218	3.4
268.12189	2.4
269.17493	40.6
272.08282	3.3
276.05484	10.6
277.21616	8.5
288.16425	2.4
306.16867	2.8
316.10889	3.9
322.98758	2.3
328.07239	8.0
329.07904	36.0
330.08218	2.9
344.10303	25.2
344.14832	6.2
351.25208	12.0
369.26428	5.2
372.05103	4.7
372.09811	96.9
373.10165	11.4
374.09698	3.5
386.19531	4.1
404.17206	53.8
404.20999	40.6
404.28607	2.7
405.17310	11.2
405.22421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77509	1.2
55.05524	6.2
57.03433	8.1
57.07080	38.0
58.48483	1.3
59.05002	2.7
61.78885	1.4
67.05505	7.2
67.39923	1.2
68.78625	1.4
69.07046	3.5
69.39472	6.0
71.04993	3.1
81.07064	19.5
83.08625	6.9
85.06545	1.2
86.70182	1.2
89.06033	5.5
91.05488	1.8
93.07048	3.9
95.08609	4.4
97.10204	1.6
98.06074	4.5
103.07595	2.2
104.99286	2.8
107.08607	1.5
109.10167	7.9
111.08098	1.7
123.11711	15.1
124.12051	1.7
126.51264	1.4
127.11200	17.6
133.10114	5.6
133.73607	1.4
137.05980	3.3
145.12219	5.6
164.92093	3.2
173.38580	1.3
178.58743	1.4
187.13280	12.9
201.14857	100.0
202.15166	3.9
243.15935	33.7
244.16359	2.0
306.16556	1.5
306.27914	35.4
307.28201	4.0
369.26376	25.8
370.26624	1.5
374.09692	2.0
374.19400	1.7
404.15323	2.6
404.20724	18.2
405.20477	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	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.6
55.05515	32.9
56.05043	5.0
57.03441	12.5
67.05509	59.3
69.03419	9.2
69.07069	13.8
69.84426	9.9
69.84765	4.8
70.06591	8.9
71.04996	5.6
71.08630	34.3
79.05482	17.8
81.03419	5.4
81.07056	33.7
81.28882	4.0
83.04975	9.3
83.08637	23.4
91.05487	17.2
93.07044	26.9
95.04974	7.6
95.08615	16.7
97.10167	32.1
98.23400	5.5
99.08106	21.0
104.99277	12.2
105.03383	24.7
105.07021	13.1
107.08592	19.1
108.08150	4.2
109.06516	7.7
109.10139	27.1
111.08073	4.9
117.07037	4.8
119.08592	6.6
120.08180	3.6
121.06487	4.5
121.10107	6.8
125.09663	25.8
127.03973	4.7
133.10091	4.7
135.08138	4.5
135.11681	4.4
136.11217	57.1
137.02324	27.6
137.05969	16.1
140.14311	24.8
145.10103	3.6
147.11758	4.1
151.11189	6.4
153.05441	4.2
161.13318	9.2
163.11220	4.8
169.04962	6.2
173.11765	18.8
189.11212	19.3
190.04987	6.4
196.09634	7.9
200.20094	4.9
227.12801	30.5
229.14355	33.1
235.15718	19.2
236.16406	22.2
243.86195	4.7
245.13885	17.2
259.10834	5.2
259.20624	8.1
260.09213	25.2
277.21658	23.6
278.10550	3.8
286.20157	8.8
295.22687	9.4
306.16821	9.4
327.17023	14.6
345.17966	23.5
351.25314	49.1
360.18097	4.2
368.28012	12.5
369.26382	4.9
386.19562	14.7
386.29248	5.7
387.67178	4.5
396.09888	6.1
404.14938	9.9
404.20593	100.0
404.31854	9.8
405.20923	16.5
429.91684	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	405.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.5
85.02895	0.8
98.97605	0.6
121.80061	0.4
140.04764	0.4
146.18069	0.4
147.92151	0.4
155.07036	0.7
159.15802	0.4
201.06235	0.5
243.08672	0.9
291.10565	7.9
299.07339	0.6
387.20975	0.4
404.20648	0.8
405.13675	100.0
406.14117	5.6
406.19287	0.4
406.22302	2.0
417.52213	0.4
424.41159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.6
69.38811	1.6
71.60542	0.3
80.00539	0.3
81.07079	0.3
85.02884	0.6
86.17329	0.4
98.45898	0.4
106.76141	0.4
107.08604	0.5
109.10110	0.5
125.09649	0.7
129.05231	0.6
139.57059	0.3
149.09569	0.4
167.03496	0.3
182.05324	0.7
195.13760	0.5
207.13911	0.6
225.14857	2.9
291.10541	7.8
299.07343	0.8
382.27130	0.4
404.20871	0.5
405.13672	100.0
406.13977	5.6
406.18051	0.3
406.22461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1547
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
53.03962	1.3
55.01881	2.5
65.03936	4.8
67.05505	4.3
68.46674	1.0
69.03433	5.2
69.33330	5.0
70.06593	2.7
79.05494	8.1
80.05009	1.8
81.03416	2.4
81.07056	5.9
82.04202	2.2
83.62241	1.4
84.08139	2.8
85.02907	2.8
87.02579	1.1
90.85371	1.1
91.05506	3.1
93.07072	4.7
93.44186	1.2
94.06576	3.4
95.04967	4.2
95.08613	2.2
97.02880	1.8
97.06523	2.1
99.04459	2.5
102.12598	1.2
103.05478	1.2
105.04563	1.3
105.07020	3.1
107.04955	18.9
108.08117	1.6
109.06501	2.6
110.03661	1.7
110.09690	1.1
111.04464	1.3
111.08084	1.2
111.50889	1.3
115.05480	3.3
117.07029	4.7
119.04864	1.6
119.08596	1.3
121.06533	1.5
121.10130	1.3
122.03661	2.8
122.09682	2.7
123.04430	1.2
124.05188	2.6
125.05993	5.1
125.18536	1.2
127.03935	5.3
128.06253	3.4
129.07036	7.2
131.04913	2.7
131.07365	1.1
131.08488	1.3
133.06514	2.7
134.09677	2.2
136.11221	61.7
137.05984	33.4
137.11560	26.2
138.12784	2.2
142.02637	1.1
143.04929	3.4
144.05669	1.5
144.87903	1.3
145.06442	5.5
147.04407	1.5
147.08040	1.8
148.62964	1.1
149.06029	1.1
150.09131	1.3
150.12788	2.3
151.03926	14.2
151.05038	2.0
152.04669	1.4
153.05495	5.6
157.06535	7.3
160.05217	1.7
161.05939	6.7
162.12767	2.8
163.13519	1.6
164.14380	2.6
167.07040	48.2
168.07382	2.2
171.04420	4.4
171.06557	3.1
172.05209	5.4
173.05977	4.5
174.06732	1.4
175.07587	2.8
177.05441	1.6
178.15950	1.2
181.04956	76.5
182.05354	2.5
182.11801	2.0
187.07526	2.6
188.04749	1.5
189.05476	4.5
189.09113	5.3
190.06258	1.7
191.07037	1.8
195.06572	3.6
200.04759	1.7
203.07008	8.6
205.08553	5.4
206.05757	2.2
215.07112	1.6
217.08762	1.6
218.05774	5.2
219.06361	1.5
221.06317	1.3
221.08084	7.0
233.08080	36.7
234.14870	2.1
235.07619	1.3
235.09689	5.0
236.16537	2.7
238.85989	1.2
245.08099	2.3
249.09122	1.9
251.09209	5.3
255.06596	1.5
260.16599	1.4
261.16797	1.9
262.18030	47.9
263.09293	6.0
264.19812	1.4
265.08514	2.0
266.09393	1.1
267.18295	1.6
268.18729	2.1
277.08578	2.2
289.16336	2.4
290.17480	2.8
293.08151	2.1
294.09155	1.3
301.07062	6.3
309.11069	2.5
316.09625	5.6
323.09137	1.5
325.10699	2.0
337.10760	2.4
341.13727	2.3
342.10968	1.6
351.12305	3.7
356.22662	1.2
357.13232	8.0
369.13333	4.6
374.23428	5.3
375.14349	4.7
377.25186	3.1
387.14413	33.9
387.19418	2.7
388.14844	3.4
388.20496	2.0
388.24924	4.1
404.24225	1.9
405.15414	2.8
405.20752	8.0
405.25171	31.2
406.26041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.225
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
70.06596	3.1
73.03605	0.8
74.09758	1.0
80.94921	0.8
90.80936	0.8
95.05025	0.8
97.04786	0.9
99.04547	0.8
104.99287	3.3
117.70721	0.9
134.09619	0.8
137.06021	3.4
138.12825	1.4
164.14375	1.1
167.07056	2.0
216.13629	0.9
220.23923	0.8
222.53587	0.9
259.15363	1.1
262.98230	2.6
317.15851	1.0
325.19714	0.9
332.15106	1.0
345.10800	0.9
387.19977	2.6
396.46317	0.9
404.28000	1.0
405.22446	100.0
406.22095	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	405.225
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
63.62643	0.5
64.95585	0.5
69.03432	0.8
70.06588	0.6
72.92063	0.4
81.07053	0.6
104.99298	3.1
105.07067	1.0
121.06455	0.5
122.03696	0.5
137.05998	1.7
139.17944	0.5
164.91972	0.5
201.00826	0.5
262.98206	1.3
322.98953	0.7
405.22452	100.0
406.22546	9.8
406.35303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
59.81982	0.5
69.03441	0.9
69.65459	2.1
70.06584	1.4
74.09724	0.8
81.86361	0.6
82.00146	0.6
84.49718	0.6
91.05497	0.6
92.00066	0.5
104.99274	3.8
105.07022	1.2
107.04954	0.6
136.11201	1.3
137.05972	1.6
164.14415	1.1
167.07062	1.6
262.98203	1.2
277.10736	0.7
278.17496	0.6
321.11005	0.6
387.19748	0.8
405.22433	100.0
406.22238	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	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.01868	2.9
55.05504	4.1
57.07080	9.1
59.10236	1.5
67.05511	12.2
70.86021	1.9
71.08623	4.5
79.05493	2.2
81.07036	2.2
85.10184	4.6
91.05488	8.2
93.07043	45.3
93.33125	1.4
95.04977	3.8
95.08609	23.1
97.06536	3.2
107.08596	4.4
109.10174	2.2
111.08083	23.5
121.06507	3.7
121.10125	1.7
139.07512	18.0
153.09109	11.7
156.98001	1.4
167.10689	5.8
181.12267	5.2
188.70074	1.4
195.13809	2.2
209.15419	2.8
223.16884	1.5
236.75342	1.4
265.04010	1.6
265.21664	2.0
279.23114	2.4
405.21094	3.3
405.37268	100.0
406.37686	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	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30235	2.0
53.03938	6.2
55.01871	9.7
57.03434	4.2
61.02938	5.2
67.05508	5.2
68.99789	2.4
69.03432	43.1
69.07088	1.9
70.42016	2.1
71.05016	5.3
73.02904	6.0
79.05505	3.9
81.03419	27.6
81.07058	11.4
85.02908	100.0
87.00838	41.0
90.08633	1.7
91.05531	2.8
93.07048	3.7
94.06545	2.4
97.02898	26.5
97.06532	4.2
99.04441	15.5
105.01873	59.9
107.08589	3.1
108.04513	4.6
109.02895	27.9
109.06513	4.6
115.03989	2.6
117.01855	2.2
120.08118	3.9
127.03919	73.7
128.04298	2.1
129.01910	3.4
137.05968	2.4
142.12260	8.8
145.04967	39.1
147.02930	3.7
150.09079	2.0
151.11214	2.4
159.02893	13.8
177.03885	3.5
189.03893	2.5
213.03983	3.3
231.05043	24.0
248.07562	2.3
249.05991	2.7
249.14825	3.6
330.24036	2.5
335.14886	5.1
353.16110	2.0
388.21109	4.1
405.71677	2.5
406.22049	66.1
406.30225	3.3
407.22614	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	406.2226
Annotation	Icacine
Peak:m/z	Relative Intensity
55.01859	1.4
55.05506	0.6
56.05041	1.2
58.06607	0.4
65.50736	0.4
67.05485	1.2
68.05022	1.2
69.03430	3.6
69.45814	1.3
69.46217	0.7
70.06595	1.5
71.04990	0.6
79.05488	2.4
80.05019	2.8
81.03422	1.0
81.07059	11.1
82.06584	1.9
83.04961	0.7
83.07365	0.8
84.08150	4.0
86.06059	0.9
91.05470	1.4
93.07061	1.9
94.06572	2.5
95.08601	1.2
96.08154	2.7
97.02875	0.8
97.06506	0.9
98.06089	0.4
105.07026	1.3
106.06541	1.2
107.08611	1.2
108.08117	2.2
109.06528	3.5
109.08925	0.8
110.09685	0.7
111.04443	0.4
111.08082	0.9
112.07606	0.8
117.07019	0.7
119.08611	0.7
120.08104	1.1
121.08897	0.8
122.09662	3.2
123.04406	1.2
123.08105	0.9
124.07580	2.1
124.11211	2.2
125.06001	2.3
125.09643	1.0
126.09150	4.5
131.08572	0.7
132.08099	1.0
134.09660	8.7
135.09972	0.4
136.11223	1.1
137.05980	7.8
137.12073	0.6
138.09157	0.5
143.08568	0.6
145.10072	1.1
146.09634	0.5
148.11214	2.0
149.09714	0.5
150.09160	4.6
150.12750	0.6
152.10707	27.2
153.09183	0.4
153.11031	1.0
154.12245	1.4
157.10133	0.9
158.09654	0.8
159.11685	0.5
160.11241	0.4
164.10706	2.5
168.10229	2.1
174.12788	1.2
175.07677	0.5
176.10690	0.6
178.12285	1.0
180.10225	1.0
182.11781	8.8
192.13814	3.3
198.11292	1.5
200.12798	8.3
200.14568	0.4
204.13861	0.5
208.13237	0.3
218.11813	0.8
222.14951	2.6
223.80553	0.4
226.33928	0.4
232.13170	0.8
234.14931	0.7
240.16121	0.4
248.12773	0.5
250.14424	0.9
251.15010	0.9
252.16013	0.7
261.81580	0.4
276.16071	0.4
289.16870	0.5
290.17401	0.7
314.17477	2.3
344.18576	0.6
370.20007	0.7
388.21130	8.0
388.25882	0.7
389.21634	1.0
406.22235	100.0
407.22583	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	406.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05040	1.0
62.39382	0.3
62.76004	0.3
65.03961	0.6
67.05501	3.0
69.03438	1.9
69.38718	1.3
70.02991	0.3
70.06595	0.8
71.05000	1.3
75.16780	0.3
79.05499	1.0
80.05022	0.5
81.03423	0.9
81.07060	1.6
81.33667	0.3
82.06599	0.5
83.01355	0.4
84.04488	0.4
85.02899	0.6
85.06538	0.5
86.06058	0.5
91.05483	1.6
93.07079	1.0
94.06581	1.4
95.04973	3.7
95.08618	0.9
97.02885	0.5
97.06557	0.4
98.06068	0.7
99.04468	0.9
99.08056	0.3
100.11275	0.8
105.07015	1.6
106.06577	0.4
107.05013	0.4
107.08604	1.5
108.08114	0.3
109.06546	1.6
110.09693	0.7
111.08065	1.8
112.07623	0.5
112.11256	0.7
115.03883	0.3
117.07035	0.7
119.04998	0.6
119.08606	1.3
121.02908	0.4
121.06526	0.5
121.10165	0.7
122.09695	0.7
123.08066	1.0
124.11236	0.5
126.09186	0.5
127.03941	1.0
128.10756	0.5
129.07027	0.6
131.08583	1.8
133.10127	1.2
134.09682	0.7
135.08047	0.7
136.11234	1.7
137.05986	0.8
138.09161	0.9
139.07614	0.3
140.10674	2.3
142.12329	1.2
143.08586	0.4
144.08127	0.4
145.04942	0.4
145.06516	0.4
145.10175	1.2
147.11722	0.4
149.08418	0.3
152.10716	1.9
153.11475	0.4
154.12277	1.2
155.03380	0.7
155.07082	0.8
158.09683	0.4
159.08102	0.9
159.10339	0.3
159.11693	0.6
160.11250	0.6
161.09624	0.5
162.09128	0.4
162.12843	0.4
163.07687	0.3
163.14862	0.6
164.14494	0.4
165.05545	0.8
165.09203	0.4
166.12323	0.3
166.15852	0.6
169.10100	0.5
172.11218	0.5
173.09613	2.2
173.13284	1.0
175.11221	0.5
178.12308	0.3
178.15952	0.5
179.07086	0.8
181.08673	0.4
182.11848	1.1
183.06509	1.8
185.09569	0.4
186.12848	0.4
187.11215	0.9
188.10664	0.4
188.14430	0.9
189.09094	0.4
191.07098	0.8
191.10744	1.0
191.14392	1.2
192.13960	0.4
194.11781	0.4
197.08051	0.4
205.14337	0.3
206.15427	0.7
209.11734	0.5
209.15343	0.6
214.16096	0.5
215.10695	0.8
222.15068	0.5
224.16447	1.1
228.10182	0.3
247.13435	0.4
250.18080	0.5
260.16312	0.5
264.19724	0.4
268.13174	0.4
278.17670	0.9
290.17545	1.1
292.16855	0.4
294.18304	0.4
308.18472	2.0
310.17972	0.4
324.19858	0.3
330.20679	0.4
352.19174	0.4
360.21768	0.4
370.19913	1.7
388.21219	3.8
406.22342	100.0
407.18018	0.6
407.22736	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	406.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
55.05515	0.9
56.05029	1.1
57.74865	0.4
58.51722	0.4
67.05501	1.6
68.05013	1.0
69.03433	2.8
69.05775	0.4
69.12647	2.2
70.06596	1.9
71.05006	0.6
79.05501	2.8
80.05025	2.9
81.03413	0.8
81.07053	9.7
82.06581	1.5
83.04977	0.6
84.08137	3.7
85.06561	0.4
85.74817	0.3
85.97514	0.4
86.06073	1.0
88.46333	0.4
91.05482	1.4
93.07040	1.8
94.06554	2.1
95.08627	1.0
96.08118	2.9
97.02891	0.4
97.06530	1.0
98.06053	0.5
99.04472	0.6
105.07029	1.7
106.06535	1.2
107.04986	0.5
107.08606	1.1
108.08118	2.7
109.06521	3.1
109.08910	1.1
110.09696	0.6
111.08102	1.0
112.07638	1.1
117.06996	0.6
119.08605	1.0
120.08073	0.5
122.09678	3.7
123.04438	1.2
123.08100	0.9
124.07567	1.1
124.11208	1.9
124.24979	0.4
125.05958	2.3
125.08383	0.4
125.09632	0.8
126.09149	4.1
131.08572	0.7
132.08131	0.6
134.09648	10.0
135.08060	0.5
136.11234	1.2
137.05974	8.9
139.07547	0.7
142.07727	0.4
144.08150	0.4
145.10110	0.6
146.09647	0.7
148.11221	2.1
150.09128	4.7
150.12817	0.7
152.10699	24.5
152.76227	0.4
153.09119	0.5
153.11034	0.5
154.12262	1.2
154.16246	0.4
157.10164	0.8
158.09587	0.5
160.11185	1.1
162.09184	0.6
164.10730	2.4
168.10231	1.6
170.11838	0.5
174.12779	1.6
178.12312	1.1
180.10208	0.8
182.11771	7.7
185.09612	0.5
192.13821	2.4
198.11278	1.2
200.12791	5.9
200.14397	0.7
203.10600	0.4
221.11749	0.7
222.14984	2.5
234.14896	0.5
248.12730	0.5
250.14337	1.1
251.15166	1.3
252.15909	0.7
258.15005	0.5
268.86569	0.4
272.16492	0.5
276.16086	0.6
290.17474	7.0
291.17877	0.5
314.17468	1.9
331.66922	0.4
337.82239	0.4
360.21823	0.7
388.21167	9.4
388.25882	0.8
389.21689	0.7
406.22202	100.0
407.22559	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	406.2227
Annotation	Tuberostemonone
Peak:m/z	Relative Intensity
55.86010	0.5
67.05506	1.6
68.05022	1.3
69.03430	2.5
69.07059	0.6
69.83061	1.5
76.54478	0.5
79.05498	1.3
80.05014	1.4
81.03415	0.5
81.07048	1.5
81.85081	0.6
82.06576	0.7
83.01332	0.8
83.04979	0.6
89.36927	0.5
91.05482	1.8
93.05822	0.7
93.07043	1.2
94.06587	3.9
95.04951	1.1
96.04502	0.8
96.08122	0.5
98.06061	0.9
98.09698	0.6
99.04418	0.6
105.07030	2.1
107.08599	0.6
108.08143	0.7
109.06521	1.4
110.06030	1.1
111.08051	1.0
112.11307	0.8
117.07022	0.7
119.08612	0.7
120.08129	0.6
121.06519	0.7
124.11230	3.1
126.12813	1.1
127.03902	1.0
129.07118	0.6
133.10112	0.6
133.41487	0.5
136.11227	4.0
137.05983	0.7
138.12798	1.2
139.07524	0.5
142.12280	2.1
143.08556	0.6
145.10129	0.6
148.07574	0.6
152.10699	1.2
153.05467	2.7
154.12248	1.2
155.06897	0.5
156.13846	0.5
159.08107	0.8
160.11263	0.7
161.09564	0.7
162.09148	1.4
162.12932	0.5
173.09612	1.1
178.12354	1.2
178.15868	0.9
183.06577	0.6
188.10718	0.8
189.08954	0.6
190.12314	0.8
204.13876	1.4
205.08589	0.6
205.12251	1.2
205.14534	0.9
206.15344	0.6
216.10229	0.5
221.10320	0.6
226.12231	0.5
262.17947	3.0
272.16483	0.6
276.12357	1.9
284.19955	0.6
290.17413	5.4
304.19119	2.0
310.18106	0.8
312.19385	1.1
328.19327	0.5
332.15158	0.6
332.18600	2.5
332.22238	0.8
360.21652	7.0
362.17169	0.7
370.20230	1.0
378.22672	0.6
388.21188	28.4
389.21384	1.9
406.22250	100.0
407.22537	8.7
426.22961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2226
Annotation	His Leu His
Peak:m/z	Relative Intensity
55.01875	1.3
56.05043	0.5
67.05505	0.7
69.03423	2.2
69.37161	1.2
69.37566	0.6
70.06598	0.7
71.04989	1.1
71.40889	0.3
79.05482	0.6
80.05027	0.7
81.07054	2.5
82.06586	0.6
82.51310	0.2
83.04981	0.3
84.08144	1.3
86.06059	0.4
91.05499	0.5
93.07056	0.6
94.06572	0.7
95.04971	0.7
95.08604	1.0
96.08144	0.5
97.02905	0.5
97.06520	0.6
98.23446	0.6
99.04480	0.4
105.07020	0.5
107.08611	0.6
108.08122	0.6
109.06530	1.3
110.09676	1.8
111.08095	1.4
119.08545	0.4
120.08102	0.4
122.09674	8.3
122.10556	0.5
123.08108	0.8
124.08869	1.2
124.11275	0.4
125.06004	0.9
125.28752	0.3
132.08087	0.3
134.09685	1.3
135.08078	0.3
136.11206	0.9
137.05984	6.7
139.07549	0.4
146.09644	0.5
147.07974	0.3
148.11259	0.5
148.85378	0.3
150.09161	1.4
150.91780	0.4
152.10750	0.5
156.08426	0.4
156.10316	0.3
162.12860	0.7
164.14351	0.8
165.74120	0.4
168.10269	1.0
174.12852	0.4
175.11150	0.3
178.84631	0.3
182.11757	4.8
182.15367	0.4
184.13319	2.6
190.12238	0.3
191.10678	0.3
192.13873	0.8
202.12340	0.4
203.10773	0.3
210.14825	0.4
221.11774	2.0
234.14899	1.3
236.16476	1.0
252.15956	1.8
253.72537	0.3
259.11151	0.8
262.18115	1.2
264.15955	0.5
276.15961	1.2
280.19086	3.6
308.18488	1.1
332.18518	1.5
370.20288	0.4
378.22775	0.4
388.21130	3.4
406.22238	100.0
407.22559	7.9
407.27710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2228
Annotation	Tuberostemonone
Peak:m/z	Relative Intensity
54.89043	0.5
55.01859	0.7
55.05500	1.1
56.05022	0.7
67.05486	1.5
68.05007	0.7
68.25334	0.4
69.03424	2.8
69.22655	2.4
70.06594	3.0
71.04975	1.1
79.05499	2.0
80.05015	3.0
81.03395	0.6
81.07051	8.1
82.06581	1.6
83.04973	0.8
83.07349	1.0
84.08150	3.2
91.05469	1.2
93.07040	2.3
94.06575	3.4
95.04933	0.8
95.08591	1.4
96.08131	2.4
97.02898	0.6
97.06522	0.8
98.06030	0.6
99.04448	0.6
105.07008	1.6
106.06563	0.7
107.04945	0.5
107.08564	1.3
108.08121	2.6
109.06508	1.9
109.08875	0.8
109.10177	0.4
110.09682	1.1
111.08082	1.6
112.07549	1.0
114.12849	0.4
115.05444	0.4
116.74968	0.4
117.07028	0.8
119.08601	0.8
119.27747	0.5
120.08099	1.8
122.09656	3.6
123.04429	1.0
124.07577	0.9
124.11217	1.5
125.05965	1.8
125.09637	1.1
126.09174	2.8
131.08522	0.7
132.08133	1.0
132.23195	0.4
133.10175	0.7
134.09648	6.9
135.08069	0.4
136.07573	0.5
136.11215	1.0
137.05989	6.0
138.09134	1.1
139.07587	0.6
140.10692	0.9
144.08055	0.4
145.10117	0.6
146.09631	1.1
147.08017	0.5
147.11652	0.6
147.32213	0.4
148.07553	0.6
148.11188	1.7
150.09099	3.9
150.12784	0.5
152.10699	16.0
153.09099	0.5
154.12312	0.9
157.10112	0.5
159.11598	0.5
160.11250	0.5
161.09587	0.7
162.12769	1.0
163.07480	0.5
164.10710	1.5
168.10196	1.6
174.12773	1.1
175.07562	0.7
175.11319	0.5
176.14339	0.5
178.12250	0.6
180.10149	0.6
182.11755	6.0
183.12083	0.5
184.13310	1.1
189.09033	0.5
192.13829	1.7
198.11266	0.9
200.12791	4.6
200.14433	0.6
204.13879	0.7
206.15213	0.5
209.15334	1.0
215.27013	0.4
217.08603	0.7
220.13274	0.6
222.14870	1.7
224.08873	0.4
229.32210	0.5
232.13362	0.7
234.14835	0.6
247.09865	0.5
250.14389	0.7
251.15108	0.7
260.16183	0.5
290.17520	2.2
314.17416	3.3
315.17569	0.5
370.20023	1.2
388.21146	11.2
388.73282	0.6
389.21405	0.8
406.22110	100.0
407.22400	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	406.2227
Annotation	Tuberostemonone
Peak:m/z	Relative Intensity
55.01863	1.2
55.05510	0.4
56.05034	0.5
57.03435	0.6
58.99594	0.5
67.05505	0.6
68.05031	0.3
69.03427	2.4
69.07068	1.6
69.61562	0.6
69.61947	0.6
70.06599	2.7
71.04990	3.5
72.89674	0.3
73.02916	1.3
76.02216	0.9
79.05478	1.0
80.05016	0.8
81.03421	0.3
81.07058	2.4
83.04917	0.4
84.04490	1.8
84.08141	1.1
85.02915	0.9
86.09710	1.3
86.99066	0.3
90.36533	0.3
91.05489	0.4
93.07031	0.8
94.06563	0.4
95.04957	0.5
95.08614	0.6
95.97505	0.3
96.04498	0.8
96.08117	0.6
97.02896	1.3
97.08977	0.3
98.06043	1.0
98.09698	0.5
99.04454	0.6
100.35498	0.3
105.07069	0.4
107.08589	0.9
108.08109	0.5
109.02872	0.5
109.06522	1.1
110.09674	1.0
111.08107	1.1
115.03931	0.5
116.01686	1.1
119.08585	0.5
120.08115	0.8
121.06540	0.4
121.10225	0.4
122.09663	7.2
123.08073	0.7
124.07616	0.3
125.06020	1.1
125.09631	0.3
126.05495	1.2
127.03941	0.4
130.04974	0.4
131.08536	0.6
133.04938	0.4
133.10147	0.4
134.09656	5.3
135.08018	0.5
135.10374	0.4
136.06192	10.5
136.11220	1.3
137.05962	4.6
138.05513	4.3
138.12804	0.4
140.08264	0.4
144.06607	0.8
145.04991	0.4
145.10170	0.4
146.09607	0.7
148.06223	1.8
150.09149	1.3
150.12851	0.3
152.10686	0.5
153.05486	0.5
154.12274	0.3
156.08412	1.3
156.10266	0.6
157.06786	0.4
160.11176	0.4
162.02211	1.2
162.09096	0.4
162.12756	1.7
163.13521	0.5
164.14377	0.6
167.07043	0.5
168.06494	0.5
168.10234	1.0
174.09535	0.6
174.12807	0.4
178.12294	0.3
179.04831	0.5
180.10118	0.3
182.11720	2.7
184.13356	0.4
186.07649	0.6
186.12691	0.3
190.12251	0.5
190.15924	0.3
191.10666	0.3
192.13863	0.7
202.12285	0.5
204.08704	0.9
204.12427	12.8
209.11716	0.4
213.12256	0.5
220.13409	0.4
221.11748	0.8
232.13416	0.6
233.14131	0.8
234.14934	1.2
236.16447	2.6
252.15991	1.8
259.11142	5.8
260.16431	2.3
261.17007	0.3
262.18015	0.9
276.15988	0.8
278.17456	0.5
280.19070	3.2
290.17542	0.9
292.19138	0.6
300.15945	0.4
308.18576	1.1
332.18491	0.8
336.18094	1.3
360.21893	0.4
370.19986	0.3
388.21216	7.6
389.21561	0.8
404.85568	0.3
406.22226	100.0
407.17142	0.5
407.22568	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	406.2226
Annotation	Tuberostemonone
Peak:m/z	Relative Intensity
55.01877	0.4
55.05505	0.9
56.05030	0.5
67.05502	0.9
68.05022	3.2
69.03441	2.5
69.07072	0.4
69.27223	1.0
69.27636	0.8
70.06587	0.5
71.04961	0.5
71.08625	1.1
71.10198	0.3
79.05502	1.6
79.77238	0.3
80.05013	1.0
81.07062	2.4
82.04201	0.4
82.06578	1.8
83.01334	1.2
86.06059	0.4
91.05465	1.8
93.05785	0.6
93.07050	0.4
94.06570	5.0
95.07349	0.5
95.08601	0.6
96.08141	1.0
97.06530	2.2
98.06050	0.9
98.22755	0.6
99.04447	0.7
99.08118	0.8
105.07029	1.8
107.04958	0.6
107.08611	0.5
108.08141	0.4
109.06534	2.2
110.06080	0.4
114.12798	0.6
117.07014	0.5
119.08596	1.0
121.06501	0.6
122.09644	0.7
123.08086	0.6
124.11233	18.4
125.05999	1.6
125.11801	0.3
127.03915	1.1
128.06258	1.0
131.08568	1.6
133.10123	1.6
136.11182	2.9
137.06042	0.6
138.09183	0.4
138.12750	1.6
139.07568	0.6
141.05487	0.8
142.12271	16.8
143.08568	1.3
143.12636	0.5
145.06461	0.4
147.08061	0.6
149.05983	0.8
149.09688	0.4
151.07497	0.5
153.05470	10.8
154.12285	0.5
156.06581	0.4
158.09586	0.4
159.08078	1.4
161.09589	1.9
162.12859	0.5
162.28284	0.4
167.06987	0.8
169.88689	0.4
173.05736	0.4
173.09674	0.4
173.12016	0.3
174.06778	1.0
175.07532	0.7
177.05452	0.3
187.07527	0.9
189.09111	1.3
190.12199	0.5
191.10669	0.9
193.12270	1.2
200.14378	0.8
202.15901	0.9
205.08707	0.9
214.15831	0.6
219.10190	0.5
226.12184	0.6
228.13487	0.4
233.08057	0.5
237.11215	0.7
246.14877	0.9
254.15456	0.4
258.14844	0.5
260.16406	0.7
262.18100	1.2
274.17914	0.6
284.20172	0.5
290.17505	4.9
292.11938	0.4
294.16882	2.5
296.16519	0.5
310.17917	0.7
312.19647	1.2
314.17429	0.5
338.17401	0.6
360.21777	2.6
362.23132	0.8
370.19955	0.5
378.22549	0.8
388.21185	26.2
389.21649	2.3
405.71591	0.4
406.22244	100.0
407.22589	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	406.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
55.05519	1.2
56.05035	0.8
57.03433	1.0
57.07069	1.1
67.05512	4.2
69.03426	4.4
70.06580	1.7
71.04991	1.7
79.05486	2.4
80.05017	1.7
81.07057	1.9
82.06581	1.9
83.04944	0.8
83.75655	0.6
84.08140	2.0
85.02892	1.4
85.06549	3.7
91.05466	3.7
93.07029	4.3
94.06551	1.3
95.04979	1.5
95.08601	2.6
96.08120	1.6
97.06528	0.9
98.06077	1.8
99.04465	2.8
100.07624	1.7
103.22809	0.5
104.99281	0.9
105.07040	3.9
107.08581	2.1
108.08140	1.7
109.06507	1.5
110.06052	2.5
110.09686	1.2
111.08038	0.8
112.07602	1.2
113.02370	2.6
115.05466	0.6
117.07021	1.3
119.08579	2.2
120.08115	1.2
121.06504	2.2
121.10174	0.8
122.09673	1.9
123.08083	0.9
124.07586	1.3
124.11252	4.4
125.05972	1.3
128.07101	0.7
131.08594	1.6
133.06456	0.8
133.10109	1.5
134.09666	4.3
135.08098	1.1
136.11217	4.0
137.05959	1.2
138.09088	1.6
139.07559	2.4
144.08064	0.7
145.10083	0.9
150.09166	2.0
151.07581	2.0
152.10709	3.8
158.09607	0.8
159.08115	0.9
159.11711	1.3
160.11185	0.7
162.12779	0.9
166.08693	2.7
167.07104	0.6
173.09596	0.7
176.10658	0.6
176.14389	0.9
184.09755	0.7
186.12779	0.9
187.11194	1.4
194.11775	1.5
204.13908	1.2
222.14973	1.1
232.13264	1.1
234.14932	0.8
235.15883	0.7
236.16608	0.7
250.14421	8.5
251.14809	1.1
260.16513	0.9
262.92612	0.6
272.16489	2.6
273.08148	0.6
276.19608	2.9
290.17508	2.3
296.16562	0.8
308.18597	3.5
314.17575	1.1
342.20868	1.1
370.20242	1.4
371.20679	1.2
378.22787	3.5
388.21112	4.3
406.22229	100.0
407.22787	9.2
411.31168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2229
Annotation	Tuberostemonone
Peak:m/z	Relative Intensity
53.03936	0.5
55.01861	0.9
55.05508	0.8
56.05013	0.8
57.03428	1.0
57.07068	0.7
67.05504	3.7
68.05034	0.4
69.03429	4.2
69.07070	0.6
70.06594	2.0
71.05015	1.7
71.46694	0.4
79.05487	2.7
80.05016	0.8
80.94836	0.4
81.07049	3.8
82.06583	1.3
83.04980	0.8
84.04521	0.5
84.08142	3.1
85.02897	0.8
85.06518	1.9
91.05483	3.3
93.07046	4.1
94.06569	1.3
95.04946	0.5
95.08610	2.8
96.08141	1.7
97.02898	0.8
97.06515	0.8
98.06044	1.4
99.04469	2.1
100.07623	0.4
104.99279	0.4
105.07011	2.8
106.06551	0.9
107.04946	0.4
107.08595	2.3
108.08121	1.1
109.06528	0.6
110.06052	2.5
110.09677	1.7
111.04413	0.5
111.08085	1.1
112.07595	1.0
113.02359	3.3
117.07009	1.1
119.08575	2.0
120.08127	1.2
121.06512	1.6
121.10146	1.1
122.09660	1.5
123.08070	1.2
124.07606	0.7
124.11221	4.6
125.05985	1.7
126.09210	0.4
128.07117	0.8
129.07024	1.1
131.08565	2.0
132.08066	0.5
133.06500	0.5
133.08759	0.4
133.10138	1.1
134.09656	2.9
135.08041	0.8
135.10378	0.3
135.11707	0.4
136.07602	0.4
136.11235	3.3
137.05962	1.7
138.09146	0.6
138.12788	0.5
139.07523	2.2
140.07047	0.7
142.08731	0.4
143.08513	0.8
145.10162	0.9
146.09705	0.4
147.08029	1.2
147.11656	0.6
148.07620	0.8
148.11180	0.8
149.09618	0.5
149.13258	0.4
150.09125	2.7
150.12837	0.5
151.07550	1.7
152.10706	3.0
153.05508	0.4
155.08510	0.4
159.08044	0.9
159.11703	1.2
160.11192	0.6
161.06013	0.4
161.09619	0.9
161.13338	0.6
165.09167	0.4
166.08630	1.1
168.10252	0.5
169.10201	0.4
171.11740	0.9
173.09619	0.5
175.11137	0.8
176.10727	1.2
176.14345	0.8
177.12820	0.5
182.11766	0.4
184.09715	0.8
186.12753	0.6
187.11208	0.7
189.09186	0.5
189.12807	0.5
194.11859	0.9
196.09659	1.1
198.12822	0.5
202.12320	0.4
204.13794	0.7
205.12289	0.5
214.12193	0.5
216.13849	0.5
222.14886	0.7
229.12291	0.5
229.14522	0.4
230.11697	0.4
232.13274	0.9
234.14883	0.7
236.16367	0.6
240.13922	0.3
244.13257	0.5
250.14372	9.8
260.16486	0.8
268.15549	0.4
272.16461	2.7
276.19510	1.9
288.19754	0.4
290.17377	1.8
298.18015	0.4
304.19043	0.5
308.18552	2.9
314.17505	0.5
316.19263	0.4
324.16318	0.8
324.19754	0.4
332.18668	2.2
342.16937	0.6
360.21973	0.5
362.23224	0.6
365.16415	1.4
370.20139	1.5
371.20901	1.3
378.19028	0.7
378.22812	2.4
381.38821	0.4
383.17288	1.8
388.21179	2.8
389.22189	0.7
406.22238	100.0
407.22586	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	406.2228
Annotation	Tuberostemoninol
Peak:m/z	Relative Intensity
50.21037	1.8
55.05507	2.3
61.87731	1.7
67.05498	2.4
68.78477	1.7
69.03433	9.4
69.38348	9.3
70.06593	8.1
70.73605	1.7
71.42525	1.7
79.05502	3.0
80.05042	3.3
81.07050	7.7
84.08134	2.4
87.04469	5.9
91.05462	2.2
93.07071	2.8
93.98447	1.7
95.04971	3.9
95.08604	3.1
96.08132	3.8
97.06522	2.4
97.08866	2.2
98.06078	2.2
104.99265	4.3
105.82482	2.0
107.08623	3.2
109.06515	3.0
115.04018	4.7
121.06500	2.1
122.09703	3.9
124.11320	1.9
131.08603	1.9
134.09673	4.5
136.11197	5.1
137.05992	8.0
138.12794	20.0
139.07523	2.5
150.09169	2.5
150.12804	4.5
151.13564	6.0
152.10677	2.6
158.09641	6.7
160.11223	2.3
164.14328	13.6
171.10342	11.0
172.11221	19.0
183.99884	2.3
184.11235	4.1
186.12848	3.1
189.18240	2.1
198.09198	2.5
198.12741	3.7
199.13496	4.8
200.14345	100.0
201.14769	6.7
218.15346	10.5
221.19757	2.1
224.09154	2.0
226.12270	46.6
226.15875	3.8
228.17479	17.3
230.18967	14.0
244.13336	8.7
254.15414	2.2
256.17014	3.1
274.17990	81.7
275.18347	4.7
284.16577	3.5
290.17575	5.7
292.19061	37.2
293.19403	2.6
296.16443	73.2
297.16763	4.4
300.16010	2.1
300.19489	6.7
314.17538	34.0
315.17798	2.5
318.16977	7.9
318.35153	2.1
324.19656	7.1
326.20999	4.1
332.18375	3.6
342.20584	3.2
344.22119	3.9
370.20059	7.4
374.22827	2.7
388.20996	39.2
388.25110	5.9
389.21469	6.0
406.22113	62.7
406.26047	36.4
407.23734	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	406.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05508	1.2
57.03421	1.1
57.07062	0.9
58.06594	1.6
67.05507	1.4
68.05036	0.8
69.03444	3.6
69.15103	4.0
71.04988	0.9
71.08607	1.6
79.05479	1.5
81.03406	1.1
81.07061	4.3
82.06581	2.0
83.01321	0.8
84.08154	0.8
85.02893	0.9
86.06074	0.9
91.05460	1.7
93.07030	1.3
94.02936	0.6
94.06563	1.6
95.04951	1.0
95.08614	0.9
96.08128	1.4
98.06039	1.5
98.23429	1.5
99.04436	0.9
99.08078	0.7
100.07609	0.8
105.07016	1.3
106.06526	0.7
107.04947	1.1
107.08557	1.3
108.08116	1.1
109.06503	2.0
110.05983	0.8
110.09661	0.9
111.08135	0.9
111.10456	1.1
117.07028	1.1
119.08588	1.5
120.08092	0.8
121.06477	0.9
121.10169	0.9
122.09644	0.7
123.08064	1.1
124.11238	4.0
127.03904	2.4
129.06955	1.1
130.06541	5.2
131.08575	2.6
132.08032	0.9
135.08025	1.1
136.11259	3.1
137.05951	2.1
138.06326	1.2
138.09122	0.8
138.12784	6.4
140.10751	0.8
142.12263	8.1
143.08543	1.5
145.06425	1.1
145.10130	1.1
149.05963	0.8
149.08324	0.6
150.09119	0.7
150.12788	1.4
151.07524	1.1
151.13528	0.6
152.10692	1.1
156.13837	15.7
157.14056	0.6
159.08035	1.9
160.08812	0.7
161.05803	0.7
162.12790	4.7
163.11151	0.7
164.14323	2.6
167.07144	1.2
168.07310	0.8
173.09543	1.3
175.07564	0.7
175.11140	2.0
177.08997	0.7
181.04947	2.6
182.05312	2.2
183.06458	0.8
187.07501	1.9
187.13443	0.7
188.10725	0.6
189.09103	1.0
190.12271	10.2
191.07024	1.5
191.10632	1.2
204.07735	0.7
206.15413	1.2
216.46939	0.6
219.10185	1.8
226.12265	0.8
228.12807	0.6
232.16705	0.6
233.08150	1.2
234.08545	1.6
255.15778	0.6
272.12799	1.0
272.16473	1.2
274.14166	0.7
276.12405	1.0
287.17511	0.6
290.17368	2.3
300.19357	1.0
314.17386	1.2
332.14444	0.7
333.19379	1.5
342.20416	0.8
360.21732	1.2
370.20016	2.4
374.19461	0.8
383.57120	0.7
388.14581	1.1
388.21109	19.4
388.25745	1.2
389.21375	3.2
393.21283	0.7
405.71484	2.8
406.22052	100.0
406.72162	2.5
407.13358	1.4
407.22296	9.5
407.26831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06876	3.0
55.05511	16.6
67.05503	4.4
69.03443	5.1
69.07070	3.4
69.82594	10.1
79.05527	5.7
81.07047	15.8
81.57297	3.2
83.04992	15.3
83.08636	12.5
85.02926	8.5
90.27277	3.5
91.05486	8.5
93.07056	8.1
95.04981	7.2
95.08622	7.2
97.06542	10.8
104.24602	2.9
105.07057	9.1
106.32439	3.3
107.08620	13.8
109.06528	20.1
109.10152	22.1
111.08059	5.3
119.08633	7.0
121.10145	9.5
123.08078	4.1
123.11719	9.2
125.09580	4.0
131.08592	8.1
133.10133	28.0
135.08000	3.8
135.11696	3.7
145.10107	4.2
147.11711	13.3
149.13269	4.5
151.11179	22.1
153.09135	6.4
158.10846	3.4
162.36560	3.6
163.14874	3.9
167.14311	17.5
167.88939	3.4
173.13298	15.2
182.07384	3.3
191.14241	16.5
209.15381	100.0
210.15718	5.3
227.16396	18.6
406.17862	6.7
406.22327	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05514	1.2
57.03432	0.9
65.39807	0.7
67.05493	1.7
69.03426	3.2
70.06604	0.8
70.85203	0.8
71.04999	1.9
79.05484	1.9
80.05006	1.0
81.07064	3.3
83.04970	1.6
83.08617	1.2
84.08148	2.2
85.02905	4.4
85.06551	1.1
91.05470	1.4
93.07050	2.6
95.04954	3.3
95.08619	1.8
97.02927	1.9
97.06547	3.0
99.04473	2.3
105.07048	1.8
107.08624	2.4
108.08134	0.9
109.06521	4.0
109.10182	1.2
110.09677	0.8
110.84811	0.7
111.08098	1.0
119.08617	2.0
119.23046	0.7
120.08109	1.4
121.06493	1.7
121.10152	3.1
122.09674	0.9
123.04468	1.2
124.11311	0.9
125.05995	1.1
125.09655	1.0
126.03011	0.6
127.03931	2.0
128.07123	0.8
131.08560	1.6
133.06506	0.8
133.10130	5.1
134.09662	1.6
135.08113	0.9
136.11238	1.3
137.05959	1.4
145.04968	1.6
146.09601	0.9
147.08080	1.0
147.11720	3.1
149.05998	0.8
149.13219	1.1
150.09155	2.7
152.06499	0.7
152.10738	1.5
153.09058	1.2
159.06548	1.7
160.11224	1.2
163.11186	0.9
167.07050	3.5
167.14351	0.8
169.04984	1.1
170.05286	0.9
173.13287	2.9
176.14296	0.9
177.05574	0.9
180.10223	1.3
182.11772	12.3
182.13301	0.5
191.14255	3.4
192.13898	1.0
198.12904	1.4
200.14337	0.7
204.13945	0.8
209.07756	0.9
209.15375	10.1
214.12416	0.8
227.09145	4.0
227.16432	8.6
232.13289	1.0
234.15094	0.8
258.14865	0.8
276.15967	2.7
278.17432	0.9
316.19171	0.8
318.20770	1.2
329.56555	0.8
332.18808	0.9
342.21353	0.8
360.21649	1.5
378.22372	1.0
388.21207	9.9
405.28394	0.7
406.13693	3.4
406.22147	100.0
407.16476	2.7
407.22513	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.76817	0.7
67.05499	1.7
68.84158	0.7
69.03433	3.1
69.07070	3.1
69.44744	3.6
70.06599	1.5
71.05000	5.5
73.88984	0.7
79.05505	3.2
80.05019	1.3
81.07066	4.7
82.06645	0.7
83.08665	0.9
84.08125	1.7
85.02891	3.8
85.06538	0.8
87.04480	1.4
91.05485	3.0
93.07039	7.3
94.06593	0.9
95.04965	2.2
95.08627	2.9
97.02907	1.6
97.06532	1.8
99.04475	1.0
102.36266	0.7
103.22231	0.8
105.07018	7.1
105.07532	0.6
107.08597	11.7
108.08096	0.8
109.06557	1.7
109.10135	1.3
110.09685	2.2
111.08097	1.4
115.07623	1.3
117.07084	0.8
119.08579	6.0
120.08128	1.0
121.06474	1.1
121.10144	10.6
122.09681	3.1
123.04446	3.6
123.08073	1.1
127.03884	1.4
129.07022	1.2
131.08565	9.6
132.08028	1.0
133.10152	11.9
134.09666	6.8
134.10507	0.9
135.08069	3.0
135.11700	1.1
136.11203	5.6
137.06023	1.9
143.08543	1.3
145.04985	1.1
145.10130	3.8
147.11679	1.5
149.13303	1.5
150.09171	2.1
154.12294	0.8
155.08566	1.1
158.10985	1.0
161.09727	0.9
161.13286	1.7
162.12804	1.3
163.14844	3.1
169.16714	0.7
173.09656	2.1
173.13271	21.4
175.14859	2.9
182.11740	7.5
183.12143	0.9
184.13344	1.5
191.10663	4.9
191.14322	20.7
193.08754	0.8
209.11757	4.3
209.15361	5.7
220.13373	1.1
227.16411	1.0
233.14226	1.7
234.15025	1.1
236.16565	2.0
246.14937	0.9
259.11130	2.0
260.16428	5.5
276.15945	0.7
290.17477	0.8
308.18643	2.2
332.18628	1.8
336.18109	1.8
388.21124	9.6
394.81418	0.9
406.22281	100.0
407.22601	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	406.2588
Annotation	Leuconine
Peak:m/z	Relative Intensity
55.01853	0.6
55.05476	0.7
56.05003	0.5
67.05470	1.2
69.03436	1.7
69.07021	0.4
69.48639	0.8
69.49044	1.0
70.06549	1.3
74.55492	0.3
79.05484	1.8
80.04971	0.8
81.07054	3.0
82.06571	0.4
84.08107	1.1
91.05428	1.6
91.69730	0.4
93.06533	0.4
93.07043	4.3
94.06534	0.9
95.04978	0.6
95.08607	2.0
96.08133	1.7
97.02934	1.8
97.08891	0.6
99.04452	2.5
101.74538	0.3
105.04437	0.4
105.06979	1.2
107.08549	1.3
108.08044	0.5
109.06471	0.9
110.09639	1.5
112.07519	0.4
117.07033	0.5
118.01137	0.4
119.08546	0.8
120.08085	0.6
122.09663	2.0
124.07532	0.4
124.11228	0.5
125.09632	0.5
127.03922	4.9
131.08563	0.9
133.10103	0.7
134.09624	1.5
136.11214	13.7
137.05963	1.7
137.11664	0.7
138.12755	1.2
142.08592	0.6
145.10103	0.8
146.09586	0.3
148.11214	1.7
150.09148	0.7
150.12769	2.7
151.43831	0.3
153.09029	0.3
159.11717	0.5
160.11205	0.6
162.12808	2.3
163.13501	1.7
164.14371	1.7
168.10245	0.7
171.08081	0.4
174.12804	0.6
176.14293	1.1
178.15912	0.9
182.11737	0.7
188.14314	0.9
190.15825	0.7
192.17511	0.4
194.11665	0.4
222.15013	0.6
224.16373	0.4
234.14879	2.4
235.15651	0.6
236.16431	3.7
244.16994	0.3
248.16492	0.5
262.18024	50.5
263.18411	3.1
264.19641	1.9
300.19592	0.9
314.21115	0.4
332.22290	1.9
356.22192	0.8
374.23328	4.2
388.20795	0.3
388.24860	4.4
389.25446	0.4
406.25922	100.0
407.26309	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	406.2589
Annotation	Leuconine
Peak:m/z	Relative Intensity
56.05024	0.9
58.06591	0.4
67.05507	1.0
69.03428	0.7
69.12987	2.0
70.06579	0.8
79.05487	2.4
80.05014	0.4
81.07060	7.6
82.06585	0.5
84.08133	1.7
87.57793	0.3
91.05470	0.4
93.07053	2.3
94.06567	0.4
95.07330	0.4
95.08599	1.3
96.08149	1.7
97.08913	1.4
98.09689	0.4
108.08118	1.1
109.06529	1.5
109.08912	0.7
110.09668	2.5
113.59700	0.4
120.08078	0.4
121.10152	1.1
122.09643	2.2
123.04398	0.4
123.10463	0.9
124.11268	0.5
134.09666	1.4
135.10445	1.1
136.11218	12.2
137.05984	5.9
137.11967	0.7
138.12778	40.6
139.13164	1.5
148.11209	0.8
150.12785	8.9
150.13924	0.7
151.13576	9.8
162.12793	1.4
163.13553	1.2
164.14357	21.3
165.14731	1.0
182.15372	1.8
192.17484	2.3
222.14827	0.4
236.16483	1.2
250.18048	0.9
251.18764	0.4
262.18021	1.0
271.02887	0.4
274.18008	1.1
293.58835	0.3
294.20734	0.6
300.19574	7.1
307.42642	0.3
346.24084	0.4
348.54297	0.3
374.23248	6.1
375.23727	0.4
388.24814	15.3
389.25165	1.4
406.25882	100.0
407.26218	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	406.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.9
67.05500	1.3
69.03429	1.3
69.07064	0.4
69.76276	1.0
70.06597	1.3
71.04990	0.3
79.05481	2.0
80.05011	0.5
81.07054	7.0
82.06589	0.8
84.08154	2.0
88.32946	0.3
89.68254	0.3
91.05479	0.8
91.48313	0.3
93.07043	3.0
94.06577	0.6
95.07368	0.7
95.08590	1.6
96.08129	1.9
97.02905	0.5
97.08894	1.4
98.23389	0.4
99.04465	0.7
105.07057	1.1
107.08582	0.7
108.08102	1.2
109.06528	1.7
109.08945	0.6
109.10212	0.5
110.09677	1.6
111.04424	0.4
119.08586	0.6
120.08136	0.6
121.06532	0.5
121.08905	0.4
121.10145	0.8
122.09657	2.4
123.04446	0.5
123.10455	0.9
124.11250	0.6
125.05988	0.3
127.03935	0.9
133.10175	0.4
134.09668	1.7
135.10478	0.8
136.11215	16.0
137.05977	5.6
137.11922	0.6
138.12773	36.4
139.07623	0.4
139.13120	1.3
143.08656	0.4
148.11238	0.7
150.09128	0.6
150.12778	7.1
150.13911	0.5
151.13565	7.5
160.11171	0.3
162.12784	2.3
163.13570	0.7
164.14354	19.3
165.14775	0.7
174.12886	0.4
176.14317	0.7
178.16086	0.3
182.11810	0.5
182.15421	1.2
188.14409	0.5
190.15942	0.6
192.17509	2.0
196.13382	0.3
208.13295	0.6
216.13855	0.3
222.14894	0.5
234.15005	0.6
236.16431	1.7
250.17966	0.4
262.18005	12.6
263.18399	0.7
264.19708	0.3
274.18115	0.9
283.04318	0.7
290.17648	0.7
294.20728	0.6
294.45398	0.3
299.07254	1.8
299.35455	0.3
300.19574	5.8
301.19724	0.4
317.08447	1.2
332.22147	0.5
346.23944	0.6
356.21997	0.4
374.23239	7.1
374.27640	0.5
375.23999	0.4
388.24857	13.3
389.25162	1.4
406.25940	100.0
407.26294	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	406.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95423	0.5
56.05043	1.0
67.05492	1.4
69.03419	1.0
70.06579	1.6
70.94376	0.6
76.90238	0.4
79.05480	2.0
80.05039	0.7
80.82790	0.4
81.07062	5.1
82.06586	1.4
84.08146	4.6
91.05497	1.2
93.07041	2.9
94.06564	1.0
95.04985	0.8
95.08592	2.5
96.08122	1.7
97.08898	1.2
98.09683	0.5
98.23457	0.6
105.07047	0.7
107.08572	0.7
108.08125	0.9
109.06518	0.9
110.09655	3.9
111.08073	0.4
119.08577	0.7
121.06502	0.5
121.10123	1.7
122.09656	2.0
123.04401	0.4
123.08044	0.8
123.10433	0.6
124.11241	1.9
131.08643	0.5
133.10143	0.9
134.09674	1.5
135.08064	0.5
135.10451	0.6
136.11209	10.4
137.05997	3.2
137.11897	0.6
138.12776	29.1
139.07529	0.9
139.13148	0.9
144.18240	0.5
145.10194	0.8
148.11215	1.0
149.11958	0.5
150.09201	0.8
150.12773	5.6
151.07544	1.0
151.13568	5.2
152.13852	0.5
162.12801	1.2
164.14351	15.8
165.14757	0.7
165.17543	0.4
168.13957	0.4
171.11836	0.4
182.15388	1.0
184.55473	0.4
188.14316	0.6
192.17514	1.9
193.91132	0.4
196.13358	0.6
198.14934	1.4
200.27631	0.5
216.13841	0.4
224.16466	1.8
236.16479	0.7
239.85475	0.4
248.16187	0.5
262.18039	1.0
274.17944	1.2
277.28967	0.4
300.19580	9.1
300.22903	0.8
301.20050	0.8
328.23087	0.6
346.24707	0.5
356.21890	0.6
374.23199	6.5
388.24823	19.8
389.25165	1.6
406.25897	100.0
407.26257	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	406.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89606	5.6
56.64932	5.2
56.86448	6.0
57.03439	16.6
57.07078	60.7
67.05501	13.1
69.07054	32.5
69.09984	23.8
69.10394	14.0
74.47941	5.0
79.05505	6.9
81.07071	6.7
83.08610	9.3
93.07030	10.5
95.08640	6.4
98.23426	13.6
104.99294	9.1
107.08593	10.1
109.10150	11.3
127.11199	19.2
133.06491	17.9
135.11694	16.3
145.12238	11.8
153.12740	19.4
176.94716	5.8
177.09029	11.0
193.75298	5.6
201.14839	100.0
227.16409	37.9
245.17389	29.9
256.26373	15.2
290.17447	5.7
353.27017	27.4
371.27969	25.3
406.22205	41.4
406.33310	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1526
Annotation	Pamapimod
Peak:m/z	Relative Intensity
56.96558	0.9
69.72433	0.8
70.06590	1.7
81.62278	0.3
85.02900	0.3
95.04984	0.3
98.06051	0.4
98.97568	2.4
110.97601	0.7
115.03907	0.3
116.98633	0.6
124.99130	0.3
126.05482	0.5
128.98616	0.4
140.01561	0.3
141.33569	0.3
158.99638	0.6
163.55104	0.3
177.00777	0.6
199.06422	0.3
205.56058	0.3
211.09723	0.3
213.12398	1.0
217.68196	0.3
219.01778	0.7
227.08916	0.3
236.42966	0.3
237.02751	0.4
245.05118	0.4
245.10144	0.5
250.82690	0.3
275.10849	0.6
279.07437	0.5
305.08286	0.4
347.10266	0.4
366.06805	0.4
390.13168	0.4
407.15225	100.0
408.15594	6.0
408.20374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01867	2.5
55.05506	4.4
57.03436	2.5
57.07074	1.1
59.05010	0.7
61.02926	1.0
65.03939	0.8
67.05507	16.7
68.05038	1.3
68.05840	0.7
68.99806	0.8
69.03431	12.5
69.07071	3.0
71.04997	30.2
71.08617	1.7
72.05331	1.0
79.05496	6.2
80.05014	1.4
80.05824	0.8
81.03413	6.0
81.07061	39.3
82.06595	1.0
82.07403	1.7
83.01329	1.3
83.04978	0.8
83.08613	1.3
85.02902	11.8
85.06525	2.2
87.00826	7.5
91.05489	3.2
92.05810	0.7
93.07057	3.5
94.06588	2.0
94.07391	0.9
95.04979	1.7
95.08607	4.5
96.08157	1.0
97.02905	5.6
97.06521	1.1
99.04461	4.3
99.08100	7.5
105.01883	5.1
105.07040	2.0
106.06603	0.9
106.07375	0.8
107.04936	1.6
107.08597	2.7
108.08155	1.2
108.08891	0.9
109.02889	4.2
109.06525	1.6
109.10126	1.2
111.08095	1.2
113.05978	0.6
114.12801	0.7
115.03986	0.9
117.01871	0.8
117.07028	1.2
118.06501	0.7
119.08609	1.7
120.08138	1.4
120.08921	0.9
121.06541	1.3
121.10155	2.5
122.09669	1.6
122.10473	0.8
123.08054	1.3
123.11718	12.7
124.11256	3.7
127.03916	9.8
129.06961	0.9
131.08597	0.7
133.10147	1.5
134.06857	0.7
134.09648	1.1
135.08078	1.2
136.11237	1.5
137.05974	1.1
137.09564	1.4
138.12784	1.2
139.11108	0.8
141.07016	0.7
141.12744	22.8
142.12267	22.0
143.08459	0.6
143.12614	0.6
145.04973	2.7
147.08020	0.8
147.11703	1.2
149.06058	0.7
150.09148	1.2
150.12744	0.7
151.07558	1.7
151.11230	0.7
152.10704	0.8
154.12259	0.7
155.07051	0.7
155.12639	0.7
159.08067	0.9
159.13815	4.5
162.12753	0.8
163.11252	0.9
166.05826	0.8
169.12331	0.7
171.88931	0.6
173.83795	0.7
174.09973	0.8
174.12720	1.2
175.07617	0.6
183.06606	1.4
184.07071	0.8
191.14357	2.0
192.14609	2.4
193.15848	1.4
205.16048	0.6
211.17014	1.5
214.15666	0.6
215.07074	1.6
221.13702	0.7
227.06909	0.8
231.05020	1.8
251.18384	1.5
260.16565	0.9
267.15564	0.7
274.17700	0.6
275.17560	0.8
276.12222	0.9
278.17578	0.7
285.16837	0.9
292.19107	2.2
310.20087	8.6
349.94141	0.6
353.16022	2.5
357.71951	0.8
371.20496	1.5
389.21411	7.6
389.25464	0.8
390.22644	2.7
406.21707	3.1
406.72433	1.6
407.22025	100.0
408.23770	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58707	1.4
70.06588	1.0
79.05496	0.4
91.05483	0.5
102.09206	0.4
104.99313	0.5
105.06997	0.6
121.06509	0.7
130.60094	0.4
137.05968	1.0
165.87219	0.4
179.76418	0.4
193.05128	0.4
256.57828	0.4
313.07428	0.4
353.96213	0.5
390.23007	0.8
390.35580	0.4
407.24054	100.0
407.76596	0.6
408.24283	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	407.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64597	20.0
70.06592	7.1
71.48495	4.9
81.07055	8.1
93.80183	5.0
104.99285	7.2
125.75528	5.2
137.05978	17.5
155.89795	4.8
159.56316	5.3
209.23660	7.9
246.59839	5.0
339.19223	6.8
389.23071	8.1
390.22809	23.5
407.22131	50.6
407.76688	6.0
408.23767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64072	1.0
69.46042	4.1
70.06587	2.0
81.07092	1.1
91.05487	1.4
96.92271	1.3
99.05051	0.8
104.31260	0.8
105.07043	3.3
109.06476	1.0
137.05992	3.5
162.03134	1.7
178.53378	0.8
181.62215	0.9
184.04411	0.9
253.12170	1.1
258.07550	1.0
280.05911	1.1
291.56528	1.0
292.64542	0.9
349.16882	1.4
367.18073	1.2
371.14969	6.5
389.17722	1.0
389.22940	5.2
390.22964	1.9
407.24054	100.0
408.24155	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08055	0.6
68.52206	0.5
69.79673	2.2
70.06593	2.8
73.27693	0.6
84.08119	0.8
88.07650	1.5
98.22746	1.3
114.09167	1.6
132.10191	1.2
137.06006	2.0
176.12946	1.2
197.06781	0.6
221.11832	0.7
236.16499	0.9
241.07632	0.8
259.08774	1.0
316.19183	1.1
321.16708	3.3
349.17084	2.3
364.18814	5.5
367.18146	3.1
385.18985	2.3
390.22787	2.7
406.35309	4.6
407.24036	100.0
407.35419	11.3
408.17828	39.4
408.23990	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
57.07076	0.5
69.78913	1.0
70.06587	2.3
72.92852	0.3
79.05508	0.4
81.07066	0.4
82.79776	0.4
88.07644	0.9
97.06541	0.7
97.50433	0.3
102.09164	0.4
105.07018	0.4
109.10194	0.4
131.08585	0.5
145.10088	0.4
256.26385	1.1
257.26810	1.0
295.15228	0.7
300.28986	1.4
301.29321	1.5
309.16571	0.8
325.16086	0.6
344.31555	0.8
345.31802	0.5
347.15140	0.4
364.98636	0.4
397.76877	0.4
406.35248	3.8
407.24045	100.0
407.35339	8.1
408.24353	7.5
408.31018	2.6
434.57626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46163	0.3
69.21207	0.6
69.21610	1.3
70.06590	0.4
105.07053	0.3
107.08526	0.4
121.06596	0.3
137.05998	0.6
291.58517	0.3
320.67719	0.4
337.10934	0.3
351.95718	0.3
389.22247	0.4
407.24045	100.0
408.24316	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	407.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
67.05501	1.0
69.03416	1.3
78.26322	1.1
79.05507	1.3
81.07049	1.3
91.05456	1.7
93.07049	2.2
95.08551	1.0
97.06538	1.0
103.20012	0.9
109.06701	0.9
111.89463	0.9
119.08600	1.4
122.75177	0.9
319.90765	1.0
389.21609	1.2
406.72458	2.2
407.17212	14.0
407.24026	100.0
408.24307	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	0.5
69.72443	0.6
69.72830	0.7
70.06602	1.4
71.08630	0.4
79.05522	0.4
88.07656	0.5
95.04944	0.4
102.09146	0.4
104.99275	0.3
131.08629	0.3
132.10246	0.4
142.12411	0.3
146.11763	0.6
256.26404	0.6
257.26733	0.8
295.15189	0.7
300.29138	0.9
301.29364	1.0
309.16705	1.0
344.31564	0.6
345.32001	0.5
378.79587	0.3
406.35172	2.0
406.71954	0.4
407.24060	100.0
407.35226	6.0
408.24344	8.0
408.31082	1.8
408.35773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64131	0.6
67.05497	0.6
69.96564	1.7
81.08365	0.6
93.03271	0.5
98.22770	0.6
111.68011	0.5
235.26041	0.6
251.14729	1.3
273.16818	0.6
291.17917	0.5
307.15225	2.4
338.17828	0.6
356.93585	0.5
372.99521	0.6
389.22964	35.0
390.23361	3.0
407.23987	100.0
408.24255	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	407.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18242	0.4
55.05515	3.0
57.07080	9.8
58.42741	0.3
65.03934	1.2
66.77592	0.3
67.05494	0.8
69.07069	20.6
69.66483	1.4
70.07395	0.4
71.08634	12.8
72.55894	0.3
81.07047	0.6
81.15470	0.3
83.08602	0.5
83.88046	0.3
85.10166	0.4
89.06004	0.8
93.07038	0.4
95.08598	0.7
98.23383	0.5
107.08558	0.5
109.10188	0.5
111.11717	5.7
113.00016	3.5
113.13285	1.4
119.08531	0.4
121.02875	3.7
121.04002	0.7
129.12762	3.8
131.08519	0.4
133.08629	0.6
149.02347	100.0
150.02689	2.6
167.03395	9.9
169.02599	3.3
190.04987	0.7
195.12253	0.4
211.11142	0.3
407.22256	0.9
407.34900	0.8
408.23566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2018
Annotation	Ligularidine
Peak:m/z	Relative Intensity
67.05505	1.0
68.05025	0.5
69.03437	2.5
69.07057	1.1
70.06598	0.6
70.27327	0.6
71.04984	0.5
79.05485	0.9
81.07059	1.5
82.06571	0.8
83.01355	4.1
83.07374	0.8
83.65520	0.4
84.00280	0.3
84.08130	0.6
85.06553	0.4
86.06071	1.4
89.23418	0.4
91.05476	1.2
93.07040	0.7
95.04958	1.0
95.08596	0.6
96.08138	2.4
97.06505	0.5
105.07038	0.8
106.06570	0.5
107.08585	0.9
108.08125	0.6
109.10187	0.5
111.08100	0.7
117.07007	0.4
119.08575	0.9
120.08105	1.1
121.06490	1.7
121.10160	0.6
122.09671	0.7
123.04457	2.0
123.08087	0.5
124.11210	1.1
126.12811	0.5
126.58445	0.3
133.06458	0.5
135.08078	0.4
136.11238	0.9
138.12781	1.6
139.33459	0.4
140.07039	1.0
141.05472	1.0
141.07872	0.4
145.06494	0.5
146.04686	0.4
147.04340	0.7
148.07497	0.6
148.11234	0.5
149.09598	0.8
150.12779	0.5
151.07571	0.7
152.10747	2.0
153.63857	0.4
154.12280	1.3
161.05980	0.6
161.09540	0.4
162.09113	0.4
162.12775	1.5
163.03935	0.7
164.14363	0.7
169.04921	0.6
170.11783	2.5
174.12825	0.6
175.07602	1.2
176.14351	1.1
177.12732	0.7
184.13405	0.3
185.09589	0.5
187.11328	0.4
189.05498	0.5
189.12802	0.4
190.12228	0.4
193.04927	0.7
194.11778	3.7
203.03314	0.9
203.10698	0.4
204.13876	0.9
204.17415	0.4
205.15923	0.9
206.15366	0.4
206.19078	0.6
207.06497	0.6
208.13370	2.5
215.14442	0.5
216.17442	0.4
220.13272	0.6
222.15053	0.5
232.16992	1.2
233.15363	0.4
244.16898	0.7
245.04376	0.9
250.18042	1.6
252.98067	0.5
257.04410	1.9
259.09711	0.8
262.18039	0.9
267.55740	0.4
270.14960	0.4
278.17529	3.3
280.19073	6.4
287.05588	0.7
290.21094	0.5
297.14813	0.8
308.18677	2.6
315.15848	0.9
318.20615	0.7
336.21686	3.4
344.18585	0.6
346.20215	1.8
362.19662	2.1
364.21237	6.8
372.18091	0.5
390.19116	46.7
391.19482	3.8
408.20102	100.0
409.09232	2.8
409.20444	9.9
409.25574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
53.20995	0.8
55.01869	7.9
55.05519	2.3
57.03436	6.3
57.07076	1.1
61.02927	5.7
62.08316	0.9
64.52413	0.7
67.05531	0.8
68.99785	2.2
69.03432	39.4
69.07076	6.4
69.24582	3.4
71.04990	5.1
73.02927	7.6
79.05508	0.9
81.03421	25.1
81.07060	2.4
82.03773	1.2
83.04977	2.0
83.08611	2.6
85.02907	100.0
86.03250	1.5
87.00832	41.2
87.04491	1.0
88.01209	1.1
91.03970	2.2
97.02896	30.7
97.06570	0.9
99.04456	14.3
103.03944	1.2
103.72316	0.8
105.01868	62.1
108.04501	2.9
109.02884	30.8
109.10210	1.0
115.03973	2.4
117.01865	2.9
126.05518	2.1
127.03920	74.1
128.04279	1.8
129.01839	3.4
145.04961	39.4
147.02928	2.5
147.04524	1.0
151.07503	1.9
153.12726	1.9
155.14389	0.8
157.97548	0.8
159.02892	15.7
177.03999	1.4
181.12141	1.1
183.13806	2.4
189.02516	0.8
189.03931	4.8
201.04042	0.8
209.15305	1.0
209.22530	0.8
213.03955	2.7
221.15367	0.9
230.06677	1.3
231.05000	25.8
233.15289	2.2
248.07585	2.2
249.06062	4.7
251.16425	5.2
266.08786	1.4
269.17569	1.3
321.51978	0.9
337.16415	5.6
355.17538	1.9
408.23380	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2383
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
55.01891	0.5
55.05518	0.8
67.05510	0.5
69.03423	2.9
69.54680	1.1
70.06609	0.4
71.05003	0.8
78.83077	0.3
79.05512	0.5
80.05028	0.7
80.08267	0.3
81.03468	0.4
81.07087	1.1
82.06592	0.5
82.40784	0.3
83.01353	0.7
83.08651	0.8
84.04523	0.4
84.08163	1.0
86.06061	0.6
91.05489	0.3
93.07066	0.8
94.06584	0.8
95.04974	0.5
95.08631	0.7
96.08128	0.7
98.06080	0.7
98.23371	0.7
99.04469	0.6
105.07069	0.9
107.08604	0.4
108.08142	0.4
109.06538	0.5
109.10131	0.3
110.09708	0.3
111.08052	2.6
112.08469	0.3
113.08430	0.9
115.03944	0.3
116.01694	0.6
117.07065	0.4
119.08628	0.8
120.08152	1.2
121.06564	0.4
122.09736	1.1
123.08081	0.4
124.07668	0.8
124.11250	0.6
125.05988	0.3
126.12843	0.4
127.03962	0.4
127.62924	0.3
134.09712	1.1
136.11212	1.6
137.06010	0.6
138.09135	0.7
138.12720	0.4
139.07552	1.5
144.01181	0.6
145.10182	0.5
146.09741	0.3
148.07599	0.3
148.11282	0.4
149.61418	0.3
150.09207	1.4
152.10768	1.4
154.12337	1.0
159.08369	0.6
160.11287	0.6
162.02213	1.8
162.09290	0.6
162.12842	1.0
163.11279	0.4
165.09219	0.4
167.07025	3.7
167.08276	0.3
168.10278	0.5
172.11266	0.4
173.51193	0.3
174.12869	0.8
176.10851	0.7
176.14378	0.5
180.13947	0.4
182.11766	5.7
182.13101	0.4
182.15486	0.4
184.11304	0.4
188.14339	0.4
189.09212	0.4
194.09796	0.3
194.11775	0.5
194.15517	0.9
198.11292	0.5
198.12923	0.4
204.13925	0.7
206.18980	0.3
208.13440	0.8
210.12781	0.3
214.16032	1.0
216.17555	0.5
222.15025	0.7
223.13399	0.5
223.19400	0.3
224.14557	0.4
232.17032	1.0
238.12323	0.3
250.14516	0.6
250.18130	0.6
252.13792	0.3
256.17038	0.8
260.13123	0.3
260.16586	1.0
262.11188	1.1
274.18118	0.5
278.14719	0.4
278.17706	1.4
279.13785	0.4
280.19345	0.5
292.19382	0.4
294.18588	0.6
296.15131	0.3
296.18564	0.8
310.20099	2.4
322.18158	1.1
326.21243	0.4
333.14972	0.4
336.22159	0.4
346.20197	0.6
354.20578	3.7
355.21082	0.5
362.19614	0.7
362.23529	0.5
364.21436	0.3
372.21829	2.5
390.18613	7.3
390.23102	2.6
391.19537	1.1
408.24066	100.0
409.12048	0.4
409.19601	0.7
409.24365	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	408.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
67.05509	1.1
69.03426	6.1
70.06587	5.5
70.52471	1.1
71.04987	1.8
79.05480	1.6
80.04993	0.7
81.03378	0.4
81.07052	7.1
83.07400	0.4
84.08154	1.4
91.05476	0.8
93.07037	1.0
94.06556	0.6
95.04971	0.8
95.08615	1.9
96.05756	0.6
96.08138	1.8
97.02900	1.3
97.06528	0.7
97.08951	0.8
105.07006	1.0
107.08601	4.1
108.08101	0.6
109.06519	3.8
110.09696	1.6
111.08090	1.7
119.08572	0.5
120.08083	0.5
122.09689	1.5
123.08060	1.3
124.08897	2.9
124.11201	0.7
135.08044	1.2
136.11212	1.5
137.05971	24.8
138.06335	0.6
138.25885	0.5
145.10039	0.5
148.11263	0.5
150.09152	1.2
150.12761	0.5
152.10747	0.6
162.12776	2.0
164.14374	0.7
166.15947	1.1
168.10228	0.7
175.11218	0.8
176.60201	0.6
182.11806	2.6
184.13361	2.9
190.15924	1.2
192.13780	1.1
192.17480	0.6
203.10652	0.6
221.11737	9.2
236.16454	8.7
254.17612	0.8
260.16595	0.4
264.19601	3.9
278.17685	1.3
280.57199	0.4
290.17578	1.1
292.19012	5.8
310.20084	2.2
316.19043	7.8
320.48270	0.5
372.22052	0.5
389.40967	0.4
390.22726	30.3
391.23022	2.2
408.23792	100.0
409.24057	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	408.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.4
57.03428	0.4
58.06606	0.6
67.05497	0.9
68.05025	0.6
69.03432	3.9
70.06412	0.6
71.05003	0.8
71.08633	0.8
79.05485	0.9
81.03416	1.2
81.07057	1.3
82.06582	0.8
82.07350	0.3
83.01367	0.5
85.06554	0.7
86.06078	0.6
91.05482	0.7
93.07062	0.7
94.06558	1.0
95.04974	0.7
98.06062	0.7
99.04488	0.6
99.08054	0.4
100.07614	2.9
100.11224	0.6
105.07049	1.0
106.06615	0.4
107.08527	0.3
108.08144	0.4
109.06525	1.5
110.06858	0.6
110.09640	0.4
111.07358	0.4
111.08082	1.8
115.05402	0.3
117.07047	0.6
119.08564	0.5
120.08125	0.5
121.06548	0.4
122.09682	1.3
123.04503	0.4
123.08085	0.4
124.11240	3.0
125.09577	0.5
125.11620	0.5
127.03967	1.1
131.08560	0.7
134.09604	0.4
135.08029	0.7
136.11206	2.1
137.05983	1.1
137.11990	0.7
138.09167	0.5
138.12769	0.8
142.12260	3.7
143.08571	0.4
143.12662	1.0
145.10089	0.9
146.09674	2.7
147.10402	1.2
150.12798	1.0
151.03961	1.0
151.07506	0.4
152.10744	0.3
153.05495	0.7
155.03429	1.1
155.07008	1.7
156.03755	0.7
156.07359	0.5
156.13844	5.2
157.03944	0.3
159.08052	0.5
161.09656	0.4
162.12848	1.2
165.05498	1.5
167.07062	0.5
171.08029	0.6
172.13348	0.8
173.09631	1.3
174.12784	0.4
176.14392	0.5
178.16022	0.4
181.08725	0.6
183.06534	4.7
184.06880	0.4
185.06949	0.5
187.09521	0.4
188.10741	0.7
188.14276	0.5
189.15170	1.8
190.15852	1.9
191.10599	0.6
203.10611	0.8
205.12303	1.3
208.16983	1.9
216.17471	1.6
221.11691	0.4
231.10271	0.4
232.13237	0.5
242.15500	0.6
246.18597	1.1
248.12866	1.2
256.16989	0.5
260.12988	0.4
261.10034	0.6
264.16010	0.4
274.17999	0.9
276.12299	3.2
284.84348	0.4
292.15332	0.9
292.19067	2.6
294.18396	0.6
296.20053	1.3
314.21069	1.0
316.19061	0.6
326.21198	0.4
328.22650	0.8
334.20142	1.0
344.22076	0.7
346.23917	1.8
354.20685	1.0
363.62964	0.4
372.21591	5.5
378.43311	0.4
390.22742	18.5
391.23080	1.6
408.23666	100.0
409.24063	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	408.2383
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
55.01868	0.8
56.05030	1.2
67.05510	0.8
69.03430	1.5
69.55077	1.3
69.55460	0.8
70.06602	1.8
71.04980	1.0
79.05498	1.6
80.05022	0.9
81.07052	6.6
82.06570	1.3
84.08140	1.9
91.05481	1.8
93.07064	2.4
94.06583	1.9
95.07335	0.7
95.08617	0.9
96.08147	2.3
97.08924	0.9
100.07635	1.2
105.07019	0.6
106.06489	0.4
106.07325	0.4
107.08609	0.8
108.07449	0.4
108.08097	2.1
109.06515	2.1
109.08929	0.5
110.09672	1.7
111.04417	0.4
111.08066	1.0
112.11240	1.1
115.64024	0.4
119.08599	1.7
122.09678	2.3
123.04449	0.4
123.08082	0.5
123.10457	2.6
125.05997	1.2
125.09648	1.1
126.09158	0.7
131.08611	0.5
134.09641	1.9
136.11217	14.0
137.05972	5.4
138.12779	2.2
139.07501	0.4
148.11189	0.6
150.12834	0.8
152.10678	3.7
153.11128	0.4
154.12267	26.5
155.12605	1.1
155.46184	0.4
162.12790	0.9
164.14325	0.5
166.12283	1.5
167.13048	1.4
176.14381	0.5
178.12210	0.5
179.13026	0.4
180.13849	6.1
182.11763	4.6
182.61063	0.4
184.13358	2.9
189.83243	0.4
198.14911	0.6
200.12770	3.1
200.14296	0.3
204.13805	0.4
208.69737	0.4
222.15054	0.4
234.14877	0.7
235.15546	0.5
236.16457	1.3
260.16418	0.4
262.17963	1.3
278.17395	0.6
280.18958	0.5
292.19070	3.0
316.19003	1.5
316.22394	0.4
344.22269	0.6
372.21664	5.2
373.22366	0.5
390.22720	12.3
391.23120	1.4
408.23764	100.0
409.24121	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	408.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05513	2.1
61.58017	0.3
67.05499	0.8
69.03429	2.4
69.07086	0.5
69.44386	0.5
69.44784	0.9
70.00006	0.3
70.06594	0.7
71.04983	0.5
72.75222	0.3
73.02941	0.3
79.05505	0.7
81.03410	0.5
81.07059	0.8
82.06590	0.8
84.08161	0.4
85.02898	1.8
85.06555	0.5
86.06071	2.6
87.04464	0.6
91.05492	0.5
93.07052	1.3
94.06557	0.5
95.04996	1.0
95.08625	1.1
97.02900	0.7
97.06556	0.9
97.10156	0.5
99.04467	0.7
100.85120	0.3
105.07040	0.9
107.08595	0.7
108.08088	0.5
109.02828	0.4
109.06537	0.6
110.05985	0.4
110.09689	1.4
111.08009	0.7
114.05550	0.6
115.03966	1.9
119.08573	0.6
122.09673	1.3
124.11278	0.5
125.05991	0.8
126.03722	0.5
126.05541	0.9
127.03921	0.9
131.08566	0.5
134.09669	1.0
136.11232	1.7
137.06001	0.5
138.05476	0.6
138.12793	1.4
145.04988	0.4
145.10162	0.5
148.11253	0.7
150.09167	1.0
150.12773	0.4
152.10748	0.5
162.09163	0.5
162.12766	0.8
164.10748	0.4
164.14400	0.4
167.10634	0.4
168.10237	0.7
172.06050	1.9
174.12698	0.9
176.14493	0.6
177.13020	0.3
180.10252	0.3
180.13834	0.7
182.11835	1.2
183.16962	0.4
188.14384	0.3
190.15932	0.7
204.54575	0.4
206.15402	0.6
218.15453	0.9
222.14891	1.2
222.25914	0.4
223.76152	0.4
224.16521	0.5
234.14871	0.9
236.16515	1.1
244.17029	0.6
248.20090	4.0
250.14574	0.6
260.16489	0.6
260.20142	0.4
262.18158	0.8
268.15472	3.5
274.21811	1.1
276.19672	1.4
284.20163	0.6
292.19363	0.4
292.22672	10.0
293.23087	0.9
302.21133	3.6
310.16507	1.1
310.20145	3.5
316.22897	0.5
320.22214	16.1
321.22543	1.1
334.23782	4.4
344.22153	1.9
362.23285	13.1
363.10144	0.6
363.23611	1.0
364.21420	0.4
364.64346	0.4
372.21753	0.9
380.24368	4.0
390.22781	12.8
391.23135	0.7
408.23871	100.0
409.11395	0.7
409.24240	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	408.2383
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
55.01863	0.6
55.05509	0.7
65.46534	0.4
67.05500	0.8
69.03424	4.1
69.53313	0.3
69.53658	1.4
70.06590	4.7
71.04978	1.2
79.05473	1.4
80.04997	0.7
81.07050	5.9
82.06550	0.5
83.04975	0.7
84.08128	1.5
85.02903	0.4
88.20155	0.3
91.05466	1.1
93.07031	1.3
94.06511	0.8
95.04955	0.8
95.08601	1.1
96.08122	1.3
97.02883	1.5
97.06515	0.7
97.08863	0.8
99.04486	0.4
105.07017	0.9
107.08582	2.5
108.08077	0.5
109.06523	3.0
110.06865	0.3
110.09676	1.8
111.08066	1.4
119.08625	0.4
120.08106	0.5
121.10162	0.4
122.09668	1.6
123.04423	0.5
123.08054	1.1
124.08828	2.0
124.11231	0.8
125.06008	0.7
133.10101	0.5
135.08066	1.2
136.11200	2.9
137.05974	18.9
137.11935	0.5
138.06300	0.5
138.12758	0.7
145.10056	0.5
146.06003	9.3
148.11247	0.6
150.09131	1.2
150.12772	0.5
150.40120	0.3
152.10699	1.0
153.81689	0.3
154.12299	2.7
160.11197	0.4
161.16354	0.3
162.12796	1.5
164.10690	0.4
164.14293	0.6
166.15923	0.9
175.11180	0.4
180.13824	0.7
182.11800	2.5
184.13376	2.4
190.12343	0.4
190.15858	1.0
192.13760	0.4
200.12779	0.4
210.14900	0.4
221.11691	6.3
236.16470	5.6
237.16721	0.4
252.87614	0.3
254.17456	0.5
263.65924	0.4
264.19550	3.6
278.17526	0.7
285.09598	0.3
290.17581	0.8
292.19009	4.3
293.19440	0.4
302.21121	0.8
310.20044	2.0
316.19012	5.8
346.23325	0.4
362.23325	0.6
372.21628	1.0
390.22696	19.7
391.22882	1.4
408.23743	100.0
409.24045	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	408.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
58.06587	0.5
67.05497	0.7
69.03430	5.0
69.74143	1.0
70.06592	5.1
71.04978	1.9
79.05477	1.2
79.58081	0.3
80.05019	0.6
81.07047	5.2
82.04191	0.4
84.08133	1.6
93.07041	0.9
94.06588	0.4
95.04958	0.6
95.08610	1.0
96.05739	0.6
96.08130	1.6
97.02868	1.2
97.08913	0.8
99.04424	0.8
105.07021	1.1
107.08588	2.6
109.06516	2.9
109.10172	0.5
110.09705	1.4
111.08070	2.1
111.33868	0.4
114.15881	0.3
119.08592	0.5
120.08138	0.8
122.09647	1.7
123.08054	1.4
124.08846	2.7
124.11218	0.8
125.05977	0.6
134.09666	0.6
135.08035	1.1
136.11218	2.0
137.05968	21.2
137.09550	0.4
137.11974	0.5
138.06340	0.7
145.10069	0.6
146.09689	0.4
147.08025	0.6
150.09132	1.1
152.10699	0.8
162.12778	1.2
164.14334	0.4
165.09096	0.4
166.15942	0.8
168.10243	0.5
170.11728	0.5
174.12823	0.4
175.11177	0.7
178.12277	0.3
182.11768	2.2
184.13341	1.9
185.49303	0.4
190.15929	1.0
192.13757	0.4
192.17480	0.4
196.13341	0.6
210.14809	0.3
218.15462	0.5
219.10155	0.6
221.11716	7.0
222.12195	0.5
222.14836	0.3
234.14772	0.6
236.16443	6.3
246.18607	0.4
250.14465	0.5
254.17778	0.3
264.19562	3.1
278.17419	0.8
290.17636	0.7
292.19110	4.0
310.20117	1.9
316.19080	6.7
317.19531	0.5
330.64746	0.3
350.68814	0.3
372.21768	0.5
390.22745	21.4
391.23041	2.4
395.38745	0.4
401.77844	0.4
408.23779	100.0
409.24161	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	408.2747
Annotation	Blacknidine
Peak:m/z	Relative Intensity
56.05025	1.4
58.06604	0.5
65.23990	0.4
67.05501	1.5
69.03430	0.8
69.07081	0.6
70.06593	2.4
70.51559	0.4
70.51896	0.7
79.05481	1.3
80.05018	1.0
81.07055	2.1
82.06568	1.1
83.44325	0.4
84.08143	1.1
84.66182	0.4
85.06541	0.5
89.90450	0.4
91.05479	0.5
93.07049	1.8
94.06576	1.4
95.07360	0.7
95.08089	0.4
95.08597	2.3
96.08126	3.0
97.02902	1.0
97.08922	1.7
98.09712	0.8
103.48819	0.4
105.07037	1.1
107.08599	0.8
108.08109	0.9
109.08980	0.5
109.10180	0.5
110.09675	2.7
111.10457	0.9
111.22615	0.4
117.07060	0.5
119.08595	0.8
121.06477	0.4
121.10117	0.5
122.09697	1.8
123.08092	0.5
123.10455	1.1
124.11234	4.4
125.06000	0.7
131.08553	0.7
134.09679	1.5
134.10783	0.3
136.11214	6.6
136.25667	0.4
137.12024	0.9
138.12773	2.2
139.07487	0.5
142.18695	0.4
143.08640	0.5
143.68405	0.4
145.10133	0.5
147.11707	0.5
148.11250	1.1
150.09163	1.1
150.12779	2.6
151.13588	2.8
159.11667	0.4
162.12787	3.1
163.13576	0.6
164.14345	4.9
167.07037	0.6
176.14340	1.3
178.15926	3.9
180.17476	5.5
180.34578	0.3
182.11673	0.6
190.15915	2.1
192.17535	2.6
193.18192	1.7
204.09755	0.4
204.17519	1.8
206.19051	9.0
206.20927	0.7
207.19359	0.5
224.16545	0.6
230.18648	0.4
232.16833	0.4
234.14792	0.4
234.22209	0.9
236.16475	1.8
250.18100	1.8
252.19556	0.4
258.46704	0.4
261.18622	0.4
264.19492	2.0
274.18195	0.8
276.19595	2.2
278.21170	1.6
292.22659	0.6
302.21118	14.5
303.21591	0.9
308.21860	0.4
362.27139	0.6
376.24789	15.7
377.25034	1.3
390.26422	28.1
391.26465	3.1
408.27487	100.0
409.27756	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	408.3111
Annotation	Asmarine J
Peak:m/z	Relative Intensity
50.01601	0.3
51.02382	0.6
53.03946	1.9
54.71622	0.2
55.01862	0.2
55.05503	1.1
56.05046	0.4
57.07078	1.2
59.04990	0.2
67.05499	1.6
68.05029	0.6
69.07069	1.2
69.68037	0.6
70.02949	0.4
70.06595	0.2
71.08633	0.8
77.03493	0.3
77.03931	2.5
79.05498	3.8
81.07066	1.9
82.06572	0.7
83.04987	0.7
83.08624	1.0
85.10196	0.4
87.04491	0.4
93.07076	0.9
95.04972	8.4
95.08611	1.9
97.06525	0.5
97.10177	0.5
98.22729	0.2
105.03395	100.0
105.04525	4.6
106.03719	2.4
107.08582	0.9
109.10162	0.8
113.00004	0.2
118.06548	0.3
121.10143	0.7
122.06030	27.6
123.06390	0.6
123.11734	0.4
124.11269	0.2
134.06017	1.3
135.11681	0.7
137.05960	0.6
148.07570	1.4
149.13332	0.3
151.14819	0.2
164.07068	3.4
176.07141	0.2
178.08672	0.6
194.08160	0.3
207.21107	0.2
225.22108	0.5
233.22658	0.7
236.16583	0.2
240.26831	0.2
250.25301	5.9
251.23645	1.7
251.25816	0.3
268.26364	2.1
269.24615	0.2
286.27411	0.3
330.27722	0.2
338.14340	0.2
339.52371	0.2
354.27841	0.5
372.28992	8.6
373.28815	0.7
390.22192	0.5
390.30020	11.5
391.30252	0.9
408.23639	2.7
408.30963	4.8
409.23877	0.3
409.31366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43482	1.4
68.70002	1.4
70.06590	8.8
80.05002	1.4
84.08159	3.3
84.73026	1.4
94.93023	14.2
110.07144	2.6
115.66887	1.5
116.07109	1.8
136.07547	12.7
148.68983	1.5
158.09229	2.0
161.02992	2.6
162.95593	8.2
175.11902	4.6
190.95111	19.9
190.99796	2.5
195.06447	2.4
196.04842	12.1
203.03992	1.5
207.11308	1.6
209.00850	3.4
212.84145	2.1
213.07491	47.3
234.90324	1.6
234.94072	43.0
251.03085	100.0
252.03275	2.1
253.05621	1.6
265.06427	1.4
272.89630	7.5
394.98538	2.1
409.10291	1.8
409.21945	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	16.1
67.05496	1.4
79.05463	1.8
81.07053	1.5
81.27654	1.1
91.05437	0.9
93.07024	2.4
95.04960	1.3
95.08614	1.5
97.78644	1.0
105.07037	2.9
106.88835	1.2
109.10178	1.6
119.08598	1.8
121.10175	1.5
144.82608	1.1
184.07352	1.1
207.11290	1.9
221.15407	1.2
224.14081	1.4
227.10913	1.3
227.12817	11.6
308.19733	5.5
335.19037	1.8
374.24304	6.2
383.86514	1.1
392.25488	17.0
409.23340	7.3
409.33734	1.4
410.19370	100.0
428.20590	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.1
57.03437	3.0
57.07078	5.7
67.05516	3.5
69.03425	1.1
69.07076	2.9
70.62865	1.7
71.08633	5.5
79.05492	1.5
81.05300	3.6
81.07051	7.4
83.08633	3.4
85.10201	3.5
89.06064	1.7
93.07053	1.7
95.08600	7.9
97.10184	1.0
99.06325	12.7
107.08614	1.5
109.10163	2.1
113.09644	0.9
117.05515	1.4
121.10171	1.9
135.11740	2.0
137.06015	2.7
138.06352	1.0
143.23001	0.9
155.14377	2.0
163.87753	0.9
178.11819	0.9
181.08339	17.1
199.87617	0.8
229.17949	6.5
237.11015	1.0
237.17000	1.4
272.74658	1.0
317.19470	1.2
335.31326	24.8
335.35342	1.3
336.31787	1.6
368.26227	1.3
376.34106	1.6
391.23175	3.8
409.25656	97.5
409.34915	100.0
410.20190	1.3
410.25861	10.3
410.35272	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	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.8
75.49583	1.4
80.94883	2.1
83.34285	1.5
96.92275	2.1
137.05930	3.2
255.09108	1.6
322.10852	3.5
351.18481	4.6
369.19525	3.5
391.17932	1.8
391.23120	3.4
409.14243	3.3
409.25549	100.0
410.15790	12.3
410.25702	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01885	0.4
70.02211	0.9
71.52187	0.4
96.25855	0.4
221.05301	0.4
295.15286	0.8
309.16678	0.6
315.27509	0.4
315.62079	0.4
409.25604	100.0
410.26031	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	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96067	0.4
64.96566	0.4
68.78799	0.3
69.83517	1.3
76.07465	0.3
120.48549	0.3
400.13416	0.4
409.25604	100.0
410.25906	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96173	0.9
79.21377	0.4
110.79041	0.4
131.14876	0.4
179.94241	0.4
295.15073	0.9
362.19025	0.5
409.25613	100.0
410.19641	1.7
410.25928	8.3
413.01071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2714
Annotation	CHEBI:78141
Peak:m/z	Relative Intensity
55.05262	1.2
55.05515	22.6
57.03436	5.9
57.07075	13.0
62.40206	0.9
67.05515	6.5
69.07068	34.3
69.79030	3.4
71.04988	1.3
71.08626	7.8
75.04478	13.9
79.05505	1.8
81.07068	11.2
83.08621	24.4
85.10184	3.8
89.06046	3.0
91.05482	1.5
93.07028	3.4
95.08610	9.5
97.10175	18.7
98.10517	1.2
99.03662	1.1
99.15639	1.1
105.07038	1.3
107.08586	1.8
109.10162	4.6
111.08117	1.2
111.11723	8.6
113.00018	100.0
121.06509	1.6
121.10086	1.3
123.11716	1.8
125.13282	2.6
133.08630	1.2
135.11642	1.2
151.01582	0.9
169.02516	1.8
187.03630	3.8
239.14848	1.4
364.31995	1.3
391.23242	1.6
392.31635	3.1
409.23904	6.5
410.25436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03940	2.4
55.01872	3.2
55.05512	21.8
57.07078	13.2
59.04996	4.2
65.03951	2.5
67.05505	22.1
69.03432	10.8
69.07064	10.3
69.31064	8.5
71.05003	3.4
71.08649	2.7
79.05494	22.5
80.42416	1.6
81.03458	1.8
81.07059	38.1
83.04990	5.8
83.08624	6.6
85.06557	4.6
90.57410	1.6
91.05485	37.3
93.07048	51.7
95.04977	57.1
95.08615	35.5
97.06552	13.5
97.10173	2.0
103.05473	5.3
105.04555	2.2
105.07035	100.0
106.07337	2.6
107.04973	3.3
107.08595	27.6
109.06514	13.7
109.10151	10.9
111.08106	2.3
115.05464	4.4
116.06263	2.4
117.07004	14.5
119.04958	2.7
119.08589	64.4
120.08864	2.3
121.06512	19.9
121.10162	18.2
123.08074	19.7
123.11787	1.7
125.09639	2.0
128.06238	4.1
129.06985	10.9
130.07834	3.1
131.08572	27.2
133.06508	6.3
133.10129	28.1
135.08072	14.4
135.11723	5.7
136.87274	1.6
137.06007	2.2
137.09613	11.0
139.11153	2.1
141.06998	5.2
142.07790	13.5
143.08574	24.1
144.09416	2.2
145.06548	3.2
145.08968	3.0
145.10127	41.8
145.11208	2.2
147.08058	18.3
147.11687	33.5
148.08850	1.7
149.09625	11.5
151.07530	24.5
151.08562	2.0
153.06961	2.7
153.09204	2.1
154.07784	2.0
155.08549	9.2
155.10684	2.2
156.09370	7.4
157.10126	28.1
158.10901	2.2
159.08089	7.1
159.11688	17.4
161.09589	9.4
161.13329	5.4
163.11214	7.1
165.09122	34.9
165.10428	2.8
167.08582	3.3
168.09378	6.1
169.10118	16.5
170.10902	3.5
171.11697	13.3
173.09666	5.7
173.13295	9.4
174.10413	2.7
175.11198	29.8
175.12642	2.5
175.14877	2.8
177.09154	4.7
178.09950	1.9
179.08632	2.8
179.10556	1.9
180.09450	2.8
181.10181	7.0
181.12317	4.4
182.10851	3.0
183.11667	15.0
185.09718	1.8
185.13327	6.7
186.05328	5.6
186.17426	1.5
187.11263	6.0
187.14832	3.7
189.12761	8.4
191.14334	2.7
193.10161	4.2
194.10930	2.2
195.11771	5.9
196.12498	1.9
197.09674	2.3
197.13324	4.4
199.11243	4.4
199.14886	2.3
201.12730	10.6
203.14319	11.0
205.10278	1.8
207.11905	3.3
207.13866	11.9
208.12576	2.1
209.13300	5.0
209.15306	2.7
211.14867	7.4
215.14374	3.2
219.13913	2.0
221.13409	2.5
221.15372	72.5
222.15804	3.1
223.14909	3.3
227.14337	2.3
229.15984	5.9
233.15414	3.0
234.16125	12.1
235.14854	2.6
237.16675	2.4
239.14549	2.2
241.15996	3.5
253.15959	1.8
261.16364	1.7
269.19147	2.1
271.17166	1.9
286.19302	2.2
287.20105	8.4
299.20010	2.5
300.20847	4.7
311.20129	1.6
317.20981	3.2
329.21286	4.4
332.87085	2.0
335.20245	3.0
373.25183	1.8
391.26328	7.5
409.27469	59.9
410.19427	15.6
410.27744	7.9
422.50085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01873	2.9
55.05512	16.9
57.07081	8.5
59.04990	3.2
63.83075	1.3
65.03934	2.4
67.05507	22.0
69.03419	6.6
69.07070	9.0
69.24631	1.9
69.25034	4.5
71.04993	2.8
74.46521	1.1
77.03924	2.7
79.05497	23.3
80.05872	1.3
81.03419	1.8
81.07062	33.6
83.04980	4.1
83.08629	3.9
83.24812	1.2
83.33078	1.2
85.06544	4.8
87.04511	1.3
89.06045	7.1
91.02628	1.3
91.05485	38.9
92.05851	1.7
93.07047	48.1
94.07369	1.3
95.04974	51.6
95.08617	29.6
97.06532	7.8
98.22728	2.7
99.60931	1.4
100.78677	1.3
103.05464	3.9
105.04559	2.4
105.07035	100.0
106.07352	2.1
107.04969	1.9
107.08597	23.8
108.05700	1.8
109.06522	12.0
109.10165	10.4
111.04467	1.7
111.08090	4.1
115.05482	3.8
117.07038	16.6
119.08587	62.8
121.06522	15.9
121.10146	13.8
123.08074	18.6
123.11762	2.1
125.06007	1.5
128.06223	3.8
129.07014	9.6
130.07791	4.4
131.08582	20.8
132.09311	2.6
133.06500	3.7
133.08629	2.8
133.10129	18.0
135.08061	13.0
135.11707	4.3
137.06000	1.6
137.09604	8.1
141.07014	3.5
142.07796	12.0
143.08574	14.6
144.09319	5.0
145.06459	2.2
145.10129	35.0
146.07249	1.5
146.10582	1.6
147.08044	14.5
147.11687	30.5
149.09628	9.3
151.07555	17.5
153.07076	1.7
154.07755	1.8
155.08534	7.9
156.09367	5.7
157.10136	23.4
158.10834	2.0
159.08089	5.4
159.11711	15.0
161.09662	6.8
161.13280	4.7
163.07564	1.9
163.11230	5.9
165.07050	2.6
165.09128	34.9
167.08591	3.9
168.09335	4.4
169.10150	10.8
170.10931	1.8
171.11717	10.8
173.09656	7.7
173.13280	5.9
174.10390	2.5
175.11183	24.5
176.11490	2.5
177.09093	4.6
177.11292	1.3
181.10094	6.9
181.12294	3.4
183.11702	9.5
185.09729	2.0
185.13266	4.9
187.11218	4.6
187.14807	2.2
189.12813	5.7
191.14294	2.1
193.10286	1.9
194.10989	1.8
195.11732	4.8
196.12357	1.6
197.13301	4.1
199.11230	2.6
201.12776	5.3
201.16396	2.0
203.14348	14.7
207.12068	1.8
207.13773	7.4
209.13266	5.3
209.15395	4.3
211.14819	5.9
213.12807	2.8
215.14398	1.8
217.12308	1.9
219.13802	4.4
221.13376	2.9
221.15364	79.6
222.15752	4.4
223.14761	2.0
225.16350	1.5
229.15924	6.7
231.13837	2.8
233.13234	2.0
233.15353	2.6
234.16130	15.5
235.14644	1.7
239.14781	3.8
243.13727	1.6
251.17950	1.6
253.15845	2.6
269.18973	1.7
271.17001	1.4
286.19342	4.2
287.20273	8.7
299.20056	2.3
300.20892	6.1
329.21057	6.1
346.40173	1.5
373.25760	1.7
391.26343	5.9
392.31732	3.6
409.27396	44.1
410.19595	11.9
410.27762	4.9
428.20673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.34184	2.4
53.03962	3.2
55.05516	17.1
56.12741	2.4
57.07078	18.5
59.05001	4.9
63.91305	2.6
67.05510	26.8
69.03437	6.3
69.07068	10.9
71.04985	5.0
71.08620	6.5
72.72312	2.6
76.03387	2.6
79.05492	21.2
79.31511	2.5
81.07064	39.9
82.41208	3.2
83.04997	8.5
83.08666	3.1
85.06551	6.1
85.10186	5.5
88.51490	2.2
89.06042	16.9
91.05486	34.5
91.05991	3.7
93.07054	46.7
95.04974	56.2
95.08620	39.8
97.06536	17.4
98.06858	3.2
103.05478	3.7
105.07037	100.0
107.08602	26.6
109.06503	12.5
109.10160	53.4
111.08044	4.2
113.09601	3.1
117.07023	11.8
119.08591	65.6
121.06489	20.4
121.10169	21.9
123.08057	22.6
123.11648	2.7
127.11203	6.2
128.06247	7.6
129.07008	7.4
130.07777	5.2
131.08569	26.8
132.09407	3.4
133.06477	3.1
133.08611	9.3
133.10112	21.5
135.08075	16.3
135.11684	7.4
137.09634	12.1
141.07036	4.8
142.07793	12.4
143.08563	22.6
144.09390	6.6
145.10133	47.2
147.08023	16.6
147.11696	41.3
149.09621	12.0
151.07547	25.8
155.08565	11.7
156.09375	9.5
157.10117	29.8
159.08058	4.3
159.11687	18.2
161.09633	11.9
161.13278	6.5
163.11201	7.4
165.09132	39.2
167.08554	5.6
168.09383	4.4
169.10118	17.5
170.10901	3.9
171.11655	15.0
173.09622	6.1
173.13274	14.5
175.11165	29.9
175.12492	3.7
177.09071	5.3
181.10124	4.8
181.12253	5.5
182.10838	3.0
183.11694	19.1
185.09579	5.2
185.13255	8.9
187.11234	3.0
187.14917	5.1
189.12750	8.5
191.14331	4.2
194.10960	5.1
195.11801	8.1
196.12489	5.0
197.13344	4.0
199.11256	7.9
199.14961	3.9
201.12737	13.1
201.16422	6.0
203.14357	17.2
207.12010	4.2
207.13788	13.2
209.13356	6.8
209.15375	6.3
211.14833	11.0
215.14485	3.0
221.13225	5.7
221.15381	95.2
222.15707	4.2
229.15903	7.1
233.15417	4.3
234.16191	11.3
239.14848	11.9
253.15979	5.4
286.19250	4.1
287.20004	14.8
299.20212	2.9
300.20905	8.1
329.20895	6.2
332.58417	3.0
391.26367	12.2
393.32117	8.0
396.16223	2.9
409.27408	93.1
410.19473	9.8
410.27777	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	409.3105
Annotation	CHEBI:68082
Peak:m/z	Relative Intensity
54.82737	0.6
55.05526	1.4
57.07072	1.5
63.02610	0.6
63.81919	0.6
64.93405	0.6
67.05507	2.0
68.54575	0.6
69.07074	2.7
69.36703	3.8
71.04996	100.0
71.08627	3.7
79.05502	1.4
79.23499	0.8
79.55320	0.7
81.07064	7.8
83.04977	0.9
83.08607	1.5
83.96778	0.6
84.07646	0.7
85.06554	0.8
89.06014	0.7
93.07059	1.8
95.08614	5.6
97.06544	1.9
98.22649	0.9
105.07063	1.1
107.08592	2.0
109.10175	1.0
112.99969	0.8
119.08578	2.0
121.06626	0.8
121.10159	1.3
122.12743	0.6
123.11730	6.2
131.08598	0.8
133.10141	2.5
135.11760	0.7
141.12675	0.9
143.08568	1.5
145.10117	1.0
147.08057	0.7
155.08571	2.3
157.10085	1.5
167.45744	0.7
169.10147	1.9
173.09659	1.8
173.13228	0.9
175.11195	2.0
181.10204	0.8
183.11687	1.0
185.13287	0.8
195.11760	0.8
196.12114	0.9
211.14790	12.0
215.14343	1.9
225.16400	2.6
238.67480	0.8
244.14592	2.0
245.15324	1.3
251.17914	1.4
253.15710	1.2
260.07700	0.7
269.19016	15.8
270.19357	1.1
391.30029	1.4
409.25211	2.6
409.31006	62.7
410.26086	1.4
410.31369	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	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01877	11.2
55.05514	11.2
57.00238	2.1
57.03431	5.6
57.07082	17.3
67.05499	3.9
69.07073	27.9
69.69971	3.5
69.70343	5.9
71.08618	11.5
73.85249	1.7
76.00918	1.6
79.05498	3.3
81.03420	8.6
81.07053	7.1
81.87542	2.1
83.08622	20.3
85.10180	6.8
95.08598	9.1
97.10189	14.3
98.78586	2.1
101.40193	1.8
105.07052	3.6
106.51421	1.9
107.08590	3.5
109.02876	32.7
109.10172	5.5
110.03909	1.6
111.11740	5.6
115.03941	8.7
123.04464	2.3
123.11732	2.0
125.13263	2.5
127.03922	100.0
133.10152	1.9
141.05479	4.4
145.10081	2.5
149.09569	3.0
169.08620	6.4
183.10190	18.6
195.10126	4.2
197.11723	4.2
211.13217	2.5
223.13297	4.0
225.14931	4.2
237.14955	2.4
239.16531	5.3
251.16502	2.2
253.18042	8.7
265.17963	4.0
267.19650	4.6
279.19547	3.6
281.21237	4.7
293.21246	4.6
295.22882	2.7
309.24319	2.5
321.24438	3.1
391.31973	31.6
409.33328	11.7
410.19400	17.8
428.20282	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	410.16
Annotation	5-O-Demethylpaxanthonin
Peak:m/z	Relative Intensity
51.70549	0.2
54.09884	0.3
57.79853	0.2
64.36028	0.3
69.13613	1.6
71.04636	0.3
71.04996	4.5
71.05369	0.2
79.79717	0.2
83.01336	0.6
99.04455	4.8
165.06949	0.3
181.08795	0.3
182.09592	0.4
192.08142	0.3
193.08867	1.1
194.09630	0.7
195.10332	0.5
196.07530	0.4
196.11140	0.5
205.08855	0.3
206.09627	1.4
207.10365	0.8
208.07597	0.3
208.11165	0.8
209.08205	0.3
210.09134	0.4
210.12927	0.3
218.09564	1.0
218.52237	0.3
219.10378	0.4
220.07530	0.8
220.11172	1.1
221.08389	0.5
221.11908	1.2
222.09128	0.7
222.12790	1.2
223.09911	0.6
223.13496	0.3
224.06955	0.5
224.10680	0.7
225.11285	0.3
226.12180	0.4
232.11171	0.9
233.11743	0.4
234.09167	1.2
234.12767	1.0
235.09875	1.7
235.13481	0.5
236.07045	1.9
236.10669	1.4
237.07573	0.4
237.11374	0.3
238.08554	0.7
238.12228	0.7
244.11488	0.3
245.11784	0.3
245.72752	0.3
246.09206	0.8
246.12723	0.5
248.10725	2.1
248.14447	0.3
249.11450	1.2
250.08711	1.6
250.12263	2.8
250.15758	0.4
251.09413	1.0
251.12976	0.4
252.10205	1.6
253.10876	0.6
254.08160	1.0
260.10712	1.3
260.14365	0.6
261.11502	2.1
262.08765	1.4
262.12134	1.9
263.09579	1.3
263.13019	2.7
264.10165	5.4
264.13724	2.2
265.10727	0.8
265.14572	0.4
266.11777	2.5
267.12381	0.6
268.13272	0.8
273.11591	0.3
274.12198	0.5
275.12888	0.6
276.10181	1.9
276.13708	0.6
277.10928	2.7
277.14508	0.7
278.08710	0.3
278.11789	6.8
278.15265	0.8
279.08844	1.5
279.12427	2.2
279.15982	0.6
280.09943	0.4
280.13165	1.0
282.11230	1.0
283.11594	0.3
288.13834	1.7
289.14554	0.4
290.08069	2.9
290.11700	2.3
290.14987	0.4
291.08875	0.4
291.12430	2.5
292.09830	0.7
292.13284	6.0
292.16650	0.5
293.10397	0.7
293.14044	3.5
294.11252	3.0
294.14307	0.3
296.12738	0.6
297.13550	1.4
302.08026	0.6
303.08975	0.4
304.09613	1.8
304.13281	1.2
305.13956	1.8
306.11609	0.4
306.14835	6.4
307.15607	5.2
308.12750	1.2
308.15948	0.4
309.13632	1.7
312.12149	0.8
318.11258	5.6
319.11899	1.0
320.16428	3.7
321.13693	0.4
321.17178	3.3
322.10718	0.6
322.14221	0.6
322.17667	0.3
323.15234	0.7
324.12326	1.6
326.13733	0.3
332.12830	2.5
333.13544	7.3
334.14322	3.0
335.14874	0.4
336.12500	0.6
336.15918	0.9
337.13034	1.0
337.57907	0.3
338.17398	0.4
346.14267	0.4
348.16010	0.5
349.13297	0.6
350.13885	1.4
351.14642	5.2
364.15396	4.8
365.16171	4.2
366.16995	10.0
367.17374	0.8
377.08176	0.4
377.12589	4.5
378.13037	0.6
382.16434	1.0
392.14896	5.8
393.15063	0.4
410.15875	100.0
411.16202	7.8
428.20343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1938
Annotation	Tyr Asp Leu
Peak:m/z	Relative Intensity
51.80969	0.3
53.53116	0.3
57.89489	0.4
71.20964	0.7
74.36356	0.4
80.81478	0.4
93.88634	0.4
95.34843	0.4
122.18388	0.4
143.42969	0.4
148.80862	0.3
275.49149	0.4
314.51199	0.4
330.89264	0.4
410.19379	100.0
411.19766	9.3
428.20407	16.7
429.20871	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1941
Annotation	Tyr Asp Leu
Peak:m/z	Relative Intensity
55.05518	1.2
57.03445	0.6
58.80150	0.5
63.68317	0.5
67.05491	0.9
69.03438	0.7
79.05499	0.8
93.15866	0.5
95.88077	0.6
100.11250	1.7
105.07043	0.6
107.08565	0.6
111.04436	0.8
142.74168	0.5
145.04965	0.8
182.15416	0.8
186.12852	0.6
188.14333	3.5
210.14937	0.8
214.81789	0.6
232.13371	3.5
246.18607	1.8
366.20435	10.6
367.20834	1.2
388.21082	0.8
410.19415	100.0
410.70972	1.3
411.14780	0.9
411.19836	9.2
428.20453	8.9
429.20773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1948
Annotation	Tyr Asp Leu
Peak:m/z	Relative Intensity
67.05518	0.4
69.03426	1.7
69.07043	0.3
70.06605	0.3
71.04993	0.5
81.03421	0.6
81.07063	0.5
82.87468	0.3
85.02901	3.5
85.06530	0.5
91.05478	0.8
93.07023	0.5
95.04972	0.5
95.08610	0.5
96.08146	0.3
97.02895	1.0
97.06564	0.4
105.01894	0.7
107.08625	0.4
109.02913	0.6
109.06514	0.6
115.03954	0.6
119.44138	0.3
121.06492	3.0
122.09601	0.4
123.11726	0.3
127.03927	1.3
134.05992	0.8
135.04420	0.4
136.11241	0.6
137.05972	4.3
142.12263	0.3
145.04990	1.4
145.12236	0.7
213.05438	1.4
231.06560	1.0
231.10150	4.8
275.86530	0.4
329.88739	0.3
340.00018	0.4
388.21072	1.4
410.19373	100.0
411.19690	9.9
414.93698	0.3
428.20425	16.4
429.20789	2.0
434.21857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12836	0.8
51.71357	0.9
53.03959	1.4
55.01875	1.2
55.05523	0.9
57.03439	2.4
61.02929	2.8
69.03428	10.9
70.06594	1.5
71.05014	2.1
73.02927	1.4
79.05502	0.8
80.05006	1.0
81.03418	6.4
81.07072	1.9
85.02909	30.9
85.03417	1.8
87.04471	13.1
91.03968	1.7
91.05497	1.2
93.07052	0.9
94.06580	2.2
95.08606	1.0
97.02898	8.4
99.04469	2.5
99.08096	33.1
99.08711	1.9
100.07668	1.2
101.02357	0.9
104.78828	0.9
106.35251	0.9
107.08652	1.0
109.02908	3.9
109.10207	2.2
111.08123	1.1
115.03938	46.3
117.09155	2.2
124.11227	1.3
127.03918	14.7
127.07616	1.0
127.11222	3.0
133.04974	13.2
136.11218	22.7
137.11555	1.6
142.12311	1.1
144.65610	0.8
145.04968	16.1
145.12282	0.9
152.10756	1.0
156.13860	2.1
157.14146	1.2
162.12770	1.6
163.06087	3.6
182.11740	1.6
185.07274	1.0
190.15916	1.1
193.64030	0.9
208.13217	0.9
259.08273	3.7
277.09204	13.8
277.12372	1.5
278.13049	1.0
374.22644	2.5
392.23752	15.1
393.23816	1.2
410.25009	100.0
411.25763	4.7
423.66296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63704	0.8
53.03918	0.9
55.01862	2.0
55.05507	5.2
56.05037	1.5
67.05504	3.5
68.05034	0.9
69.03105	0.9
69.03439	6.8
69.07060	2.0
70.06583	3.1
70.12023	0.7
71.04987	4.8
73.02932	1.3
79.05479	2.8
80.05013	6.6
81.03415	2.9
81.07062	4.5
82.06555	1.4
83.08616	1.2
84.08157	1.1
85.02905	8.3
85.06540	0.9
86.77216	0.8
87.04476	3.1
87.48801	0.9
91.05504	4.9
93.07063	6.6
94.06580	4.0
95.04408	1.3
95.04970	12.0
95.08609	3.3
96.08149	2.8
97.02898	3.3
97.06538	1.1
98.06053	3.5
99.04462	4.3
105.01881	1.0
105.07026	1.9
106.06562	1.1
107.07358	1.9
107.08598	3.2
108.08103	2.0
109.02885	2.2
109.06521	2.2
109.10161	1.1
110.09704	1.2
111.04467	1.7
111.08074	7.4
113.06004	1.0
115.03925	6.3
117.05488	2.8
117.07008	1.3
119.08570	1.7
120.08121	3.5
121.06493	1.6
122.09671	4.5
123.04433	2.0
124.07540	0.8
127.03933	6.7
132.08078	2.2
133.04974	2.2
134.08154	1.2
134.09651	3.9
135.08098	2.2
136.11232	2.2
138.09146	7.9
139.07530	4.1
140.10698	3.8
141.05431	2.3
145.04950	7.5
146.09595	2.0
148.07593	2.8
148.11235	2.8
150.09138	3.3
151.07591	1.0
152.10744	1.9
153.09152	0.9
156.10185	3.9
162.05510	8.6
162.12762	2.6
163.06104	1.0
163.07558	1.5
164.10689	2.1
165.09131	1.0
166.08662	2.2
166.12318	0.9
168.10240	1.4
172.11217	1.2
180.13722	1.2
181.08598	2.4
182.11774	11.7
184.09706	10.0
184.13396	2.0
188.14345	6.0
190.12303	4.1
192.13730	1.8
195.10139	1.6
195.13802	1.7
202.10727	3.3
205.14513	1.6
206.15408	2.5
208.13341	9.7
213.07613	0.9
213.11154	2.9
220.13454	1.4
230.15428	2.0
236.12613	1.0
248.16438	11.1
254.13850	1.2
258.14926	1.0
259.08078	1.0
266.17496	13.4
276.15958	3.0
277.09152	2.4
294.17001	65.8
295.17340	3.9
312.18036	55.6
313.18329	3.1
334.86658	0.8
346.20193	1.7
364.21173	2.8
364.25168	1.0
374.19440	1.0
392.20416	4.7
392.24823	10.4
410.15643	30.7
410.21613	100.0
410.25540	61.2
411.16043	2.4
411.21808	8.0
411.25891	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	410.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01868	0.8
55.05507	1.0
56.05025	1.2
57.03446	2.5
57.03688	0.5
59.15877	0.5
61.02930	0.7
67.05515	2.5
68.05029	0.6
69.03146	0.4
69.03437	3.8
70.06591	2.3
70.22582	1.0
70.22950	0.8
71.04987	1.0
73.02914	0.9
79.05494	2.4
80.05016	4.2
81.03429	7.3
81.07047	3.3
82.06565	2.0
83.04959	0.7
84.08144	2.3
85.02905	5.9
85.06548	0.7
86.09719	0.7
87.04464	1.6
91.05481	1.8
93.07045	5.0
94.06563	5.4
95.04967	9.4
95.08607	3.0
96.08125	1.3
97.02884	2.9
97.06532	0.7
98.06075	2.0
99.04450	2.8
105.07035	1.5
106.06544	0.6
107.04945	0.6
107.07329	1.1
107.08581	1.2
108.08108	1.7
109.02881	1.4
109.06512	1.5
109.08942	0.5
110.09681	0.8
111.08092	3.1
112.07635	0.5
113.05997	1.7
115.03932	4.2
117.05504	0.8
117.07023	0.9
119.08626	0.6
120.08110	3.6
121.06490	0.9
121.10133	0.8
122.09682	2.9
122.61002	0.4
123.04429	1.6
123.08130	0.8
125.05958	0.7
127.03916	5.1
127.07532	0.6
131.08554	2.0
132.08102	0.8
133.04967	1.5
133.08823	0.5
134.08139	0.9
134.09674	5.0
135.04427	0.5
135.08046	1.0
136.07600	1.2
136.11255	0.7
137.05923	0.7
138.09137	3.6
139.07538	0.8
140.10693	0.5
141.05409	0.7
145.04979	4.2
145.10089	1.2
146.09663	0.8
147.08035	0.5
147.10445	1.0
148.07581	0.9
148.11191	5.6
150.09190	2.5
150.12785	0.5
151.07478	0.8
152.10699	3.0
153.09018	0.5
156.10199	2.0
160.11314	0.8
162.09122	1.2
162.12790	1.9
166.08630	1.2
166.12277	0.8
167.10701	0.7
169.08615	1.8
172.11208	2.1
173.09541	0.9
173.12048	0.6
178.12230	0.6
180.13828	1.4
181.04948	1.0
181.08603	0.6
182.11794	1.0
184.09723	4.5
188.10818	0.5
188.14345	1.3
190.12241	6.4
192.13853	3.2
195.10156	0.8
197.11624	0.6
197.57285	0.5
198.11290	0.5
202.10725	2.1
204.13802	0.9
204.48892	0.5
205.14632	0.5
206.15408	1.5
208.13315	7.6
213.11153	2.8
220.13463	0.6
230.15364	1.6
232.16971	0.7
236.12894	0.9
238.14334	2.4
248.16455	8.5
249.16603	0.5
250.14305	0.6
259.08105	0.5
266.17505	11.7
267.17737	0.8
276.15952	2.1
277.09183	1.7
278.08755	0.7
290.03363	0.5
294.16992	34.2
295.17313	2.0
312.18039	45.0
313.18439	3.2
322.16547	0.8
346.20096	1.0
364.17130	0.9
364.21182	2.4
368.06494	0.8
374.19583	1.1
386.56030	0.5
392.20636	9.1
392.25037	0.7
392.28683	0.5
410.21674	100.0
411.12286	0.8
411.17133	1.0
411.22012	6.9
427.10330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59411	1.8
51.62764	2.0
53.61741	1.8
55.05503	2.5
56.96564	22.6
69.03439	3.5
70.06610	2.3
70.67351	3.0
83.08624	3.3
90.83807	2.1
99.04462	2.0
110.97585	2.3
111.08054	2.4
119.04256	2.0
132.32008	2.2
137.05997	2.1
137.50639	2.0
139.07571	2.7
149.02342	6.2
152.76750	1.9
185.04901	3.3
193.05055	4.7
199.06418	5.1
200.20142	2.7
201.07983	2.2
213.07991	11.7
225.07991	6.0
229.07495	8.6
231.09079	8.8
237.07739	4.8
239.09468	3.8
241.11140	11.0
243.08978	3.1
247.08574	2.9
251.09517	3.8
255.09143	4.3
259.12186	6.9
269.10614	35.8
287.11536	12.9
292.12146	2.7
333.17401	18.9
351.18372	27.6
352.18985	2.6
369.19489	100.0
370.19830	8.8
374.19946	4.7
375.20901	2.7
382.16367	4.3
387.20538	66.7
388.20828	4.9
392.24182	6.7
410.19434	13.7
410.25180	39.6
410.33484	2.3
428.19934	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	410.2537
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
55.01871	0.6
55.05510	0.8
56.32701	0.4
57.07058	0.4
61.82235	0.4
67.05495	0.8
69.03429	12.0
69.36456	1.6
70.06590	4.1
71.04998	3.9
79.05493	1.0
80.05011	0.6
80.53887	0.4
81.07037	1.3
84.08122	0.8
85.06539	0.5
91.05479	0.6
93.07049	1.3
95.08601	0.9
96.08127	1.0
97.06539	1.1
99.04448	4.2
105.07024	0.8
107.08575	0.7
109.10145	0.8
110.09681	1.9
111.08080	12.9
119.08620	1.3
121.10116	0.7
122.09664	1.2
123.08158	0.4
125.06257	0.4
125.09629	1.0
131.08554	0.9
133.10115	0.7
136.11217	0.7
137.09651	0.7
139.07549	13.1
147.11684	0.5
148.11212	0.5
149.09610	1.0
150.09163	0.8
152.10684	0.4
153.09052	0.7
155.10515	0.4
158.19759	0.4
159.11687	1.0
168.10153	0.4
170.11781	0.7
177.12755	1.4
182.11818	1.5
184.13329	2.5
195.13817	5.2
196.13307	0.8
198.11111	0.4
210.14980	0.5
221.11790	1.0
223.13284	8.8
224.13702	0.5
261.83804	0.4
292.19046	1.3
318.20621	5.0
319.20990	0.8
374.23199	0.7
392.24283	32.3
393.24750	3.4
408.56418	0.4
410.25345	100.0
411.25711	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	410.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05505	0.7
57.03419	0.2
57.77823	0.2
58.06591	0.4
61.02927	0.3
67.05494	1.1
68.05021	0.2
69.03429	13.7
69.07055	0.4
69.37436	1.0
70.03767	0.3
70.06590	3.1
71.04992	3.8
73.02899	0.2
79.05487	1.2
80.05000	0.9
81.03407	0.8
81.07065	1.3
82.06565	0.3
83.04984	0.5
84.08131	1.1
85.02911	2.4
85.06541	0.6
86.06055	0.2
87.04491	1.3
91.05465	1.1
93.07044	1.8
94.06556	0.6
95.04947	0.7
95.08624	1.6
96.08129	0.9
97.02889	1.1
97.06516	0.8
99.04451	4.5
101.05984	0.2
105.07049	1.4
106.06525	0.5
107.04921	0.3
107.08588	1.4
108.08112	0.5
108.82127	0.2
109.02880	0.6
109.06499	0.4
109.08926	0.3
109.10153	0.7
110.09676	2.0
111.08082	11.5
115.03927	2.4
117.05471	0.7
119.08590	1.1
119.38580	0.2
120.08093	0.4
121.06488	1.0
121.10152	0.8
122.09686	1.6
123.08083	0.5
124.07594	0.5
124.11252	0.5
125.06002	0.7
125.09597	1.3
127.03921	1.2
127.07586	0.2
128.07039	0.3
131.08546	0.6
133.04976	0.9
133.06448	0.3
133.10133	0.8
134.09671	1.0
135.08067	1.0
136.11223	1.7
137.09602	0.6
138.09067	0.3
139.07538	11.1
140.07915	0.2
142.12306	0.2
143.08594	0.3
144.54700	0.2
145.04944	1.1
145.10092	0.4
146.09679	0.3
147.08083	0.3
147.11678	0.4
149.09654	1.2
150.09151	1.5
151.07625	0.2
152.10706	0.7
153.09094	0.9
157.10117	0.2
159.08101	0.3
159.11618	0.5
160.11169	0.5
161.09633	0.4
162.12807	0.4
163.11198	0.3
164.10670	0.5
168.10184	0.9
170.11790	0.4
171.11795	0.2
173.09601	0.2
175.11249	0.4
177.12769	0.8
182.11771	2.3
184.13354	2.3
185.13388	0.2
187.11047	0.4
188.14349	0.5
195.13802	6.1
196.13269	0.2
205.12263	0.3
208.13341	1.1
220.13504	0.3
221.11594	1.2
223.13283	8.4
224.13596	0.3
230.15549	0.3
231.10115	0.2
234.09026	0.2
234.14934	0.4
243.13892	0.2
251.75580	0.2
252.15895	0.4
259.08273	0.4
271.13120	0.3
277.09219	0.5
280.19113	0.3
292.19058	1.2
299.16220	0.3
318.20642	4.9
319.20978	0.4
327.15686	0.2
327.87045	0.2
328.18912	0.6
336.27750	0.2
345.16971	1.6
356.18286	0.2
373.81351	0.2
374.19150	0.4
374.23102	0.6
375.17661	0.2
392.24365	28.7
393.20505	0.2
393.24670	2.4
410.25479	100.0
411.15155	0.3
411.19968	3.7
411.25635	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	410.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01872	1.4
55.05513	1.1
55.82463	0.4
59.90195	0.4
66.91496	0.4
67.05497	2.0
69.03429	6.7
69.07060	0.6
69.64207	1.4
70.06584	2.3
71.04996	3.8
71.35958	0.3
73.02903	0.5
77.03941	0.5
77.59376	0.5
79.05505	1.4
80.05019	1.8
81.03426	1.1
81.07063	2.3
83.04991	1.1
83.08636	0.5
84.08156	1.8
85.02909	3.5
85.06547	0.8
87.04482	1.0
91.05498	1.2
91.25510	0.4
93.07060	1.6
94.06590	1.0
95.05006	0.7
95.08609	2.7
96.08144	0.9
97.02908	1.1
97.06535	0.6
99.04446	2.8
99.08083	0.4
105.07034	1.3
106.00812	0.4
107.08612	1.1
108.08128	0.9
109.02888	0.8
109.06538	0.7
109.10155	1.0
110.09702	0.8
111.08079	7.2
115.03933	3.2
117.05503	3.0
119.08604	1.1
120.08138	0.8
121.10180	0.7
122.09668	2.7
123.08066	0.9
124.07600	1.3
124.11292	1.1
125.05994	1.1
125.09630	0.5
127.03896	2.2
133.04976	1.5
133.10187	1.2
133.81355	0.4
134.09651	2.1
136.11212	2.4
137.09665	0.9
137.11574	0.6
138.09172	0.9
139.07518	2.3
140.10742	0.4
143.30287	0.4
145.04956	2.6
147.51897	0.4
148.11234	0.5
150.09152	3.3
152.10706	2.3
154.12315	0.7
160.11259	0.7
161.12013	0.4
162.09218	0.4
162.12819	0.6
164.01817	0.5
164.10768	0.7
168.10199	2.5
169.10384	0.4
174.12732	0.4
176.10838	0.5
177.12799	0.5
179.10913	0.5
180.10289	0.8
182.11771	16.3
183.12093	0.5
188.14407	0.5
195.13800	0.7
198.11293	1.3
202.12428	0.4
208.13377	1.4
220.13426	0.8
223.13345	0.5
224.85114	0.4
230.91795	0.4
232.13329	0.9
234.14929	0.8
248.16425	0.5
250.14264	0.4
259.08163	0.7
260.16422	0.6
262.18063	1.6
266.17520	0.7
277.09225	1.0
278.14175	0.9
278.17468	0.6
280.18954	0.4
294.17117	1.8
294.20245	0.5
312.17975	3.4
312.20917	0.5
318.20770	0.8
336.21890	0.7
364.20947	0.8
374.23245	0.6
392.20258	0.5
392.24307	18.9
393.24808	1.7
410.25455	100.0
411.12662	1.3
411.25824	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	410.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05505	0.9
55.45996	0.4
58.56874	0.4
67.05487	1.3
68.05002	0.5
69.03429	5.5
69.36887	2.1
69.47036	0.5
70.06596	2.3
71.05006	2.1
76.90434	0.3
78.76513	0.4
79.05474	1.0
80.05013	0.9
81.07041	1.2
82.06586	0.7
83.05001	0.5
84.08132	2.7
86.06061	0.6
91.05470	0.7
93.07040	1.3
94.06555	1.6
95.08595	1.5
96.08131	1.2
97.06501	1.0
98.23423	0.8
99.04460	1.6
105.07068	1.1
106.06566	0.5
107.08562	0.8
108.08105	1.3
109.06516	0.6
109.10098	0.4
110.09655	1.0
111.08076	5.2
119.08568	1.0
120.08124	0.8
121.10136	0.4
122.09669	1.5
123.08054	0.4
124.07604	0.8
125.05982	1.0
125.09594	0.8
131.08556	0.8
133.10126	0.9
134.09660	3.5
135.10382	0.4
135.77829	0.4
136.11230	4.3
137.81772	0.4
139.07535	4.8
146.09627	0.5
148.11234	0.8
150.09143	1.7
152.10698	3.1
154.12238	0.5
157.04514	0.4
159.11668	0.5
160.11238	0.7
168.10136	0.6
180.10201	0.8
182.11755	7.9
184.13330	1.1
195.13765	2.5
198.11226	1.1
200.12808	4.2
201.13055	0.4
221.11768	0.6
222.14793	0.5
223.13368	2.5
232.13327	0.5
250.14441	1.0
252.15874	0.6
260.16425	0.7
262.18094	0.7
278.17551	0.5
292.19113	1.0
318.20633	5.2
319.20828	0.7
348.21631	0.5
374.23145	1.3
392.24289	23.7
393.24713	2.2
410.25351	100.0
411.25656	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	410.2537
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
55.01874	0.4
55.05502	0.5
60.97251	0.2
67.05485	0.8
67.17807	0.2
68.05008	0.2
69.03429	4.1
69.86218	0.3
69.86537	0.4
70.06591	2.7
71.04991	4.9
79.05497	1.0
80.05024	0.7
81.07050	1.9
83.04974	0.3
84.08138	0.7
85.06544	0.4
87.04468	0.3
91.05460	0.7
93.07034	1.1
94.06561	0.7
95.04968	0.3
95.08604	1.4
96.08107	0.6
97.06518	0.2
98.06056	0.4
99.04460	2.2
99.23540	0.2
105.07034	0.8
107.08604	0.9
107.95959	0.2
108.08105	0.2
109.06545	0.4
109.10164	0.6
110.09678	0.5
111.08070	4.0
112.07575	0.2
115.03931	0.3
119.08592	0.8
120.08105	0.2
121.10156	0.3
122.09658	1.6
123.08076	0.6
124.07603	0.7
124.11207	0.4
125.05997	0.5
125.09659	0.7
127.12621	0.2
128.07083	0.4
131.08618	0.3
133.10110	0.6
134.09645	0.3
136.11188	1.0
137.09599	0.2
137.71423	0.2
139.07538	3.2
150.09148	2.3
151.09544	0.2
152.10709	0.7
154.12291	0.6
162.12718	0.4
164.14400	0.3
168.10172	2.0
170.11758	0.2
176.14355	0.2
177.12764	0.3
180.10147	0.3
182.11757	5.4
184.13333	0.4
194.11839	0.2
195.13774	1.2
196.13284	0.3
198.11229	0.6
202.12340	0.2
203.46323	0.2
204.13943	0.2
223.13506	0.3
225.52353	0.3
234.14905	0.4
236.16599	0.2
251.84958	0.2
262.18082	0.7
264.19681	0.5
276.19556	0.7
291.33121	0.2
294.20657	0.6
310.19922	0.2
316.77328	0.2
318.20612	0.2
336.21716	0.2
374.23328	0.5
392.24283	3.3
393.24658	0.3
410.25345	100.0
411.25671	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	410.2542
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
53.63891	0.3
55.01871	0.5
55.05512	0.5
67.05496	0.8
69.03433	5.4
69.56558	1.1
70.06599	1.7
71.04984	1.2
79.05485	0.5
80.04995	0.7
81.03411	0.4
81.07066	1.5
84.08141	1.4
85.06543	0.3
91.05490	0.8
93.07044	1.1
94.06574	0.9
95.08602	1.0
96.08138	1.2
97.06531	0.6
99.04462	1.7
103.77937	0.3
105.07021	0.5
107.08605	0.8
108.08096	0.5
109.06506	0.3
109.10157	0.3
110.09673	1.1
111.08089	4.7
115.03989	0.3
117.02219	0.3
119.08584	0.8
120.08126	0.6
121.10161	0.3
122.09679	1.1
123.08028	0.4
124.07618	0.4
124.11214	0.3
125.05994	1.0
125.09644	0.6
131.08479	0.3
133.06436	0.4
133.10107	0.7
134.09662	1.3
135.08038	0.5
136.11214	18.1
137.05989	0.3
137.09642	0.3
137.11546	0.6
139.06480	0.3
139.07539	4.7
148.11247	0.4
149.09554	0.5
150.09146	0.6
152.10716	1.0
154.12285	0.8
155.12650	0.5
160.11331	0.3
162.09071	0.3
162.12817	0.8
164.10712	0.3
168.10179	0.5
170.04445	0.3
174.12689	0.3
177.12753	0.5
178.12335	0.5
182.11778	3.8
184.13377	1.6
190.15865	0.6
195.13783	2.3
198.11285	0.4
200.11255	0.3
200.12764	1.6
221.11665	0.5
223.13298	2.8
225.12561	0.3
234.14955	0.7
252.15872	0.6
262.18124	0.4
280.19080	0.5
292.19162	0.7
318.20654	3.8
319.20361	0.3
346.23779	0.4
348.21780	0.3
361.97723	0.3
364.24890	0.3
374.23181	1.2
380.72699	0.3
392.24252	19.9
393.24741	1.9
410.25305	100.0
411.25677	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	410.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28644	0.5
57.07084	5.5
58.06591	1.7
65.03937	1.7
69.03439	0.8
69.80030	0.5
69.80371	1.3
70.06596	15.3
71.08641	2.8
79.05479	0.5
88.07632	19.2
94.01643	0.4
102.09180	13.8
103.01852	0.5
111.04378	0.5
111.08112	0.6
121.02834	0.9
122.09679	0.6
139.03874	1.1
149.02347	50.7
149.03426	3.1
150.02660	1.3
156.17435	1.0
193.04965	49.9
194.05362	1.6
200.20099	52.7
201.20473	2.5
237.07573	69.1
238.07912	2.7
278.21057	0.5
304.22754	0.9
308.98523	0.5
327.18008	0.5
355.48212	0.4
392.23679	1.7
392.28204	1.0
410.25284	100.0
411.25656	7.2
413.80936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37553	0.4
55.05509	1.2
55.58097	0.4
56.05025	1.4
67.05502	1.5
69.03420	1.0
69.07042	0.6
69.11123	2.5
70.06588	1.7
71.04996	0.7
79.05488	1.6
80.00122	0.4
80.05012	0.9
80.80904	0.4
81.07056	1.6
83.08646	0.4
84.08150	1.1
85.06527	0.6
86.31015	0.3
91.05478	1.1
93.07037	2.3
94.06570	0.8
95.08614	2.4
96.08144	1.2
98.09666	0.6
99.04462	0.7
105.07053	1.2
107.08601	1.5
108.08148	0.5
109.10167	0.7
110.09674	2.0
119.08592	1.0
121.10151	1.1
122.09701	1.5
123.10445	0.4
124.11238	0.8
131.08559	1.1
133.10138	1.4
134.09633	0.6
135.10489	0.5
135.11713	0.8
136.11237	3.7
138.12819	0.5
138.33487	0.4
143.08569	0.5
145.10162	1.0
147.11746	0.8
148.11227	0.8
150.09180	0.6
150.12781	4.2
151.13516	0.8
154.11218	0.4
159.11671	0.5
161.13274	0.5
162.12776	1.0
163.13562	0.5
164.14375	2.4
182.11763	0.4
184.13455	0.4
190.15894	0.4
192.17531	0.9
228.49283	0.4
236.16484	0.5
238.18150	0.5
252.19550	0.6
274.58893	0.4
278.21060	1.8
304.22711	23.0
305.23132	1.5
360.25266	0.4
364.24893	0.7
364.85992	0.4
378.26413	11.5
379.26895	0.9
392.27951	39.5
393.28143	2.4
410.29016	100.0
411.29364	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	410.2903
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
55.01860	0.5
55.05511	0.9
56.05030	1.3
56.75538	0.4
65.79496	0.3
67.05502	1.3
68.94348	0.3
69.03427	0.9
69.07079	0.9
70.06593	2.0
71.05002	0.5
79.05487	1.2
79.85752	0.3
81.07053	2.2
82.06566	0.5
83.08601	0.3
84.08132	1.0
91.05460	0.7
93.07047	2.9
94.06575	0.4
95.08607	3.3
96.08145	1.6
98.09724	0.4
99.04439	0.9
105.06990	1.6
107.08587	2.2
107.96297	0.3
108.08112	1.2
109.10139	1.1
110.09662	1.6
114.00120	0.4
119.08617	1.6
120.08105	0.4
121.10130	0.8
122.09663	1.6
124.11214	0.6
125.05993	0.5
131.08551	0.6
133.10129	1.2
134.09612	0.6
135.10342	0.4
135.11700	0.4
136.11218	4.1
137.11874	0.4
138.12813	0.9
145.10146	1.0
147.11691	0.8
148.11195	0.8
150.09122	0.5
150.12782	4.9
151.13545	0.9
159.11632	0.7
161.13351	0.5
162.12750	1.6
163.13580	0.9
164.14398	2.3
167.36812	0.3
173.13365	0.4
175.14804	0.4
176.14342	0.4
190.15871	0.5
198.14912	0.6
217.87572	0.3
224.16364	0.5
236.16383	0.4
238.18201	0.5
250.18004	0.6
276.19708	0.4
278.21082	1.8
299.14688	0.4
304.22708	25.3
305.23087	1.7
332.25867	0.5
360.25116	0.7
364.24677	0.6
378.26367	12.8
379.26724	0.9
392.27936	39.7
393.28177	2.5
410.20016	20.2
410.28998	100.0
411.20410	2.3
411.29346	9.1
428.20273	3.4
429.20755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31527	4.7
51.40099	5.3
55.05306	5.4
55.05516	80.3
59.62173	5.4
67.05502	17.2
69.03432	4.9
69.07070	14.3
79.05512	14.1
81.07051	20.2
81.75600	5.2
83.08627	55.4
88.81668	4.9
91.05485	13.3
93.07056	13.9
95.04986	9.3
95.08608	21.9
97.06507	6.0
105.07030	9.8
107.08630	11.4
109.10165	8.1
119.08559	16.4
121.10162	10.3
123.11686	5.3
127.07613	5.1
131.08601	8.6
133.10149	6.0
135.11690	9.4
147.11615	6.3
149.09605	10.7
149.13290	6.2
178.65898	5.1
181.12254	9.4
264.34280	5.2
275.20053	22.8
319.47849	5.9
377.73788	5.9
410.19376	100.0
428.20447	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	410.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
57.07080	39.4
58.07412	1.1
59.04969	1.2
69.03448	0.9
69.07064	2.0
69.21623	4.9
71.08274	1.3
71.08640	25.5
73.06574	4.4
79.05484	1.7
79.54843	0.8
81.07047	3.5
82.07426	0.8
83.08612	1.8
85.09695	1.5
85.10187	20.4
87.04469	1.8
89.06036	100.0
91.05495	4.2
93.07044	2.3
95.04960	3.5
95.08598	2.4
97.06522	1.2
97.10156	3.6
99.11722	3.4
105.07027	6.8
106.07383	1.8
107.07067	2.0
107.08588	2.1
113.13296	1.1
117.09149	1.6
119.08574	4.0
120.08903	1.7
121.06526	1.3
121.10097	0.9
130.08653	1.6
131.08620	1.7
133.08614	47.1
134.08905	1.1
145.10091	2.7
146.10495	1.6
147.07921	1.1
147.11723	2.1
149.09612	1.0
151.07544	1.7
151.09663	3.4
152.07919	1.2
155.17908	3.0
157.10091	1.5
158.10497	1.5
166.09477	1.1
175.11255	1.0
176.11644	1.1
177.11221	12.8
195.12309	2.5
197.45459	0.9
199.20540	2.8
203.14359	1.0
221.13594	1.5
221.15559	1.9
222.15675	2.4
234.16237	0.9
236.59671	0.9
239.14896	30.0
240.23344	1.1
243.23178	7.8
287.25784	3.0
393.32104	42.6
394.32458	2.6
410.19351	13.3
410.27661	4.7
428.20242	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	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
67.05497	1.5
70.06591	2.8
81.07036	2.3
88.07636	2.2
95.04949	1.6
108.88799	1.0
145.10185	1.9
149.02345	3.4
151.07509	1.4
153.09041	1.1
162.63962	1.1
172.05220	1.2
193.04984	3.8
200.20078	4.0
201.20422	2.1
233.20300	1.2
237.07558	4.0
238.07880	1.2
325.16055	2.0
350.17142	1.1
367.17288	24.0
388.21164	2.9
410.19568	1.9
410.25165	4.0
411.16211	100.0
411.20071	19.2
411.26346	4.2
411.71744	2.8
412.16486	8.6
412.21683	1.5
429.20734	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	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31727	0.2
57.03462	0.5
60.66079	0.2
69.03427	1.3
69.60770	1.1
69.61131	0.2
70.06591	0.4
71.05002	0.7
73.02906	0.3
81.03439	0.5
82.45110	0.3
84.08136	0.4
85.02908	2.2
87.04501	0.7
97.02890	1.0
99.04498	0.4
101.06001	0.3
109.02888	0.5
111.08094	0.9
112.08421	0.3
115.03925	3.1
124.17257	0.2
127.03929	1.4
133.04984	1.4
139.07579	0.8
140.07849	0.3
145.04990	0.9
150.09099	0.3
163.06099	0.5
185.04150	0.3
196.14070	0.4
203.05269	1.6
224.13722	0.3
224.59828	0.3
259.08130	0.3
277.09219	1.1
375.24213	0.4
393.24698	3.5
394.20016	0.6
410.25449	0.8
411.19998	100.0
411.25668	18.4
412.20477	8.3
412.26230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.05511	16.1
56.05032	4.8
57.03431	2.8
57.06859	1.8
57.07082	19.4
58.99597	7.6
61.01154	2.4
65.03929	2.0
67.05506	36.2
69.07072	19.8
69.61192	1.6
69.86571	3.2
69.86895	2.0
71.08641	15.0
73.01122	1.7
74.00661	1.9
76.02235	4.4
76.04008	4.7
79.05487	15.7
80.05018	2.7
81.07062	33.6
82.06574	1.7
83.08622	9.1
84.04510	4.1
84.08120	1.8
85.01127	2.1
85.10180	6.6
86.99048	2.9
87.02692	6.6
88.02225	4.4
88.03976	2.0
91.05474	10.6
93.07045	17.2
95.04974	2.0
95.08612	32.0
96.08136	1.9
97.01126	7.2
97.10175	4.6
98.09708	2.7
98.23357	2.4
98.98471	26.8
99.02687	3.4
101.04257	3.2
105.07057	7.7
107.08589	7.7
109.10155	10.4
109.10793	1.5
112.03977	2.4
113.04207	2.5
116.01663	14.2
116.05322	5.7
117.07014	2.0
119.08593	4.7
121.10144	13.1
123.11708	5.4
131.08530	2.2
133.10159	2.8
135.11699	6.9
135.93155	1.6
144.01190	3.6
145.10141	3.5
147.11655	1.9
149.13243	3.9
155.01042	36.9
161.13264	2.4
162.02177	3.8
163.14810	1.7
189.65738	1.6
198.82411	1.6
233.22722	3.0
239.23695	5.6
250.25255	8.7
257.22681	3.4
262.25327	2.4
269.90659	1.8
291.21469	6.6
308.24057	10.5
308.25912	16.1
313.27316	14.0
319.20923	3.1
326.54016	1.7
338.02502	1.7
394.24228	3.1
411.26752	100.0
412.19479	1.9
412.27158	8.6
412.31934	1.7
428.28986	1.8
435.09790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08196	0.4
55.92148	0.5
56.63649	0.5
57.03432	0.9
57.07080	3.7
66.29199	0.6
67.05508	0.6
68.41956	0.5
69.07069	0.7
70.61006	0.6
70.61331	0.7
95.08633	0.8
104.99266	0.7
109.10144	0.7
127.11184	1.4
139.89345	0.5
184.96132	0.5
201.14874	4.2
211.13036	9.0
223.12967	0.9
246.42839	0.6
267.15671	1.5
344.79449	0.6
411.27151	100.0
412.27585	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	412.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
56.29477	0.3
69.23404	2.5
71.04996	4.9
75.73182	0.4
77.03939	0.4
83.01337	1.2
91.05463	1.1
93.07026	0.4
95.04962	0.9
99.04462	5.1
105.04515	0.4
107.04936	0.5
109.06522	4.2
116.95726	0.5
127.03971	0.7
132.08063	0.7
137.05960	2.1
144.08101	1.2
146.09656	0.5
155.03389	1.1
156.08083	0.9
157.08864	1.0
158.09636	0.9
160.07570	1.4
165.05475	8.4
167.06985	0.5
167.54718	0.4
170.09622	1.0
171.10463	0.5
172.11212	0.8
174.09207	0.8
175.09871	1.3
181.08847	0.7
182.09673	0.8
183.10481	0.6
184.11209	2.2
185.08374	0.6
185.11989	0.8
186.09177	2.2
187.09785	0.5
190.34323	0.4
194.09625	0.7
195.10364	0.8
196.11209	3.9
197.08424	0.5
197.11934	1.0
198.09145	1.1
202.08827	0.5
208.11241	2.3
209.12009	1.4
210.09148	1.1
210.12758	1.4
211.09871	1.3
211.13399	0.5
212.10675	2.6
212.14262	1.0
213.11450	0.8
218.11674	0.6
220.11163	0.9
221.12134	0.6
222.09151	0.5
222.12740	1.5
223.09866	0.7
223.13539	0.7
224.10643	2.6
224.14229	1.3
225.11417	0.7
226.12265	0.7
234.12807	1.8
235.13577	0.8
236.10716	1.1
237.11517	1.3
238.12227	3.0
239.12920	1.2
240.10197	0.8
240.13745	1.9
241.14410	0.4
245.01781	0.4
246.39542	0.4
247.09773	1.6
248.10684	1.5
248.12799	2.3
250.08553	0.6
250.12274	1.4
251.13005	1.3
252.13902	2.9
253.11008	0.6
254.11732	1.1
256.13235	0.8
258.14862	1.0
260.10770	0.8
261.11481	1.1
262.12268	13.3
262.15518	0.7
263.13037	8.2
264.10245	0.6
264.13724	1.3
265.10910	0.7
266.11807	1.0
266.15332	0.9
267.12540	0.7
268.13379	1.5
269.14001	0.5
270.11429	0.6
270.14771	0.9
275.12982	0.7
276.13541	0.7
277.11002	1.5
278.11728	2.7
279.12482	1.7
280.13354	4.1
281.10483	0.6
281.13873	0.5
282.14868	0.5
284.12830	1.1
286.14499	0.5
288.13773	1.0
290.12177	0.7
290.15384	3.9
291.15814	0.6
292.13336	0.8
294.14890	3.7
295.15573	2.6
296.12784	1.9
297.13629	0.8
305.14139	0.8
306.11194	1.3
306.14890	1.1
307.15558	0.9
308.16440	0.6
310.14319	0.5
311.15060	0.5
312.16083	0.5
314.14145	0.6
318.14975	1.5
320.12808	2.7
320.16113	0.5
321.13474	2.1
322.14224	0.8
322.17972	1.4
324.12192	2.1
333.13373	0.7
334.14484	1.3
336.16074	3.1
338.13675	0.8
338.17438	0.8
339.14703	2.1
348.15952	1.6
352.15298	1.0
353.15973	0.6
366.17050	10.9
368.18631	1.6
376.15448	0.9
384.17703	0.5
394.16269	2.5
412.17511	100.0
413.17868	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	412.1756
Annotation	Dapholdhamine C
Peak:m/z	Relative Intensity
69.03399	0.5
70.10865	0.9
71.04982	2.1
83.01362	2.4
99.04459	1.4
118.08635	0.7
237.11546	0.8
237.78001	0.5
244.09648	0.9
252.10118	0.7
254.11653	0.7
256.09589	0.6
270.11243	1.4
280.09692	0.8
281.10614	0.5
282.11285	1.1
284.09247	3.6
284.12286	0.7
294.11313	0.5
296.09183	1.4
296.12726	1.2
298.10745	1.3
299.11533	1.3
300.12228	0.7
306.11148	2.6
312.12283	0.7
314.13898	10.5
320.12891	1.7
324.12033	0.8
334.14145	0.6
338.13879	6.7
339.14200	1.3
352.15125	0.7
353.15927	0.8
364.11838	0.8
368.18600	1.1
379.13797	0.7
384.17938	1.2
394.16437	1.0
397.14923	1.3
412.17511	100.0
413.17896	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	412.1759
Annotation	Dapholdhamine C
Peak:m/z	Relative Intensity
55.05501	0.7
66.55183	0.6
69.03412	0.8
69.33812	1.3
69.34208	2.8
71.05002	0.7
81.07089	0.8
83.01329	1.3
83.04884	0.5
85.20467	0.7
89.38747	0.7
93.74508	0.6
93.97665	0.6
95.08635	1.2
99.04443	0.9
132.08122	0.9
133.08873	0.6
138.12651	0.7
140.10643	1.1
142.55721	0.7
144.08018	0.9
146.09637	5.4
155.03395	1.4
157.08777	0.9
170.09743	1.0
172.11209	2.2
182.09676	0.7
184.11250	1.8
188.10710	1.6
196.11203	1.8
197.08444	0.7
198.09148	1.3
199.09872	1.0
200.10739	2.7
207.29323	0.8
208.11237	1.2
210.12857	0.8
212.10750	2.2
212.14389	0.9
213.11322	1.0
222.12842	1.2
224.10721	1.5
224.14215	1.2
225.11462	0.8
226.12262	0.7
234.12910	1.1
236.10612	1.3
236.14439	1.1
237.11452	1.8
240.10197	1.9
240.13780	1.0
250.12286	2.7
251.12987	0.9
252.13829	5.9
253.11053	1.7
258.14960	1.5
262.12299	1.5
264.10254	1.6
264.13834	0.9
266.08148	1.4
268.09665	1.1
268.13351	4.6
278.11813	5.1
279.12360	1.2
280.09903	1.4
280.13361	3.5
281.07645	1.3
281.10483	13.8
281.13324	0.6
282.10962	1.5
292.09644	1.0
294.14944	1.4
296.12830	10.8
297.13040	0.9
306.11203	1.7
307.12112	0.8
308.09543	1.0
308.12766	3.8
309.10001	7.3
309.31509	0.6
310.10770	0.9
310.14389	1.3
311.15170	1.3
322.14352	1.5
324.12317	38.8
325.12640	2.1
326.13858	0.8
339.14679	23.7
340.14877	1.8
354.13364	9.8
355.13483	0.8
366.17087	1.2
388.21240	0.9
394.18237	0.8
397.14981	4.5
411.71591	1.8
412.17505	100.0
413.17804	9.4
413.22568	1.3
414.56442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1757
Annotation	Dapholdhamine C
Peak:m/z	Relative Intensity
53.03949	0.5
59.01038	0.3
65.03937	0.6
70.19331	0.6
70.19675	0.5
71.05002	4.9
74.45317	0.3
76.31818	0.4
77.03923	1.0
83.01331	1.4
83.22751	0.4
91.05476	1.4
91.21577	0.4
95.04941	1.2
99.04444	5.0
105.07034	0.5
106.06597	0.4
109.06507	3.5
114.83707	0.4
115.03911	0.4
117.05746	0.4
118.06704	0.4
120.08127	0.5
127.03900	0.5
132.08002	0.8
137.05965	1.5
140.18437	0.4
144.08112	0.8
146.09650	0.9
147.06686	0.4
155.03403	4.2
156.08133	0.6
157.08919	0.9
158.09618	1.0
159.10582	0.5
160.07579	1.3
165.05476	8.5
168.08073	0.4
170.09660	1.3
171.10324	0.4
172.11215	0.6
174.09233	0.9
175.09917	1.4
181.08882	0.5
182.09685	1.1
183.10397	0.8
184.07526	0.5
184.11205	2.7
185.08313	0.6
185.11983	0.5
186.09149	2.2
194.09616	0.7
195.10364	0.6
196.11177	4.1
197.08385	0.9
197.12001	1.6
198.09137	0.8
207.10472	0.4
208.11261	1.4
209.12042	1.4
210.09169	1.5
210.12849	1.4
211.09833	0.7
212.10738	2.8
212.14362	1.0
213.11493	0.8
218.11819	1.1
220.11247	0.9
222.09218	0.6
222.12819	1.2
223.09961	0.5
223.13644	0.7
224.10738	1.7
224.14372	1.6
225.11441	0.7
226.12292	0.5
233.11882	0.4
234.12914	1.0
235.13426	0.6
236.10750	1.2
237.11469	1.3
238.12341	2.3
238.15805	0.4
239.12872	1.2
240.10164	0.6
240.13818	2.0
246.11137	0.6
247.09802	0.7
248.10681	1.5
248.12711	2.3
249.11421	0.6
250.08876	0.4
250.12279	1.2
251.13058	1.1
252.10199	0.5
252.13834	3.2
254.11696	0.7
256.13177	0.8
258.14914	2.4
261.11459	1.1
262.12286	13.1
263.13010	8.4
264.10199	1.0
264.13739	1.1
265.10941	0.4
266.11795	0.9
266.15463	0.8
267.12213	0.5
268.13370	1.7
269.13934	0.5
275.12979	0.6
276.13788	1.1
277.10956	1.4
278.11807	2.9
278.14737	0.7
279.12509	1.5
280.13336	3.6
281.13748	0.6
282.11353	0.5
282.14642	0.5
284.12860	1.2
285.13574	0.6
286.14291	0.5
288.13849	0.7
289.14819	0.5
290.15359	4.5
291.16031	0.8
292.13385	0.9
293.13901	0.6
294.14883	3.1
295.15677	3.6
296.12881	2.6
297.13379	1.1
303.12549	0.7
306.11221	1.4
306.14844	1.1
307.16022	0.4
308.16464	0.7
310.14291	0.9
314.13913	0.8
316.13400	0.5
318.14935	1.5
320.12875	2.5
321.13571	1.5
322.14386	0.9
322.18076	1.2
324.12244	1.9
333.13745	0.6
334.14420	1.4
335.15158	0.8
336.15778	2.4
337.16187	0.5
338.13904	0.9
338.17514	0.8
339.14645	1.6
340.19238	0.5
348.15860	0.7
350.17578	0.9
352.15414	1.1
366.17026	9.2
367.17493	0.6
368.18579	1.5
384.17987	0.8
394.16452	2.9
412.17538	100.0
413.17880	8.9
434.06403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61382	0.6
55.05481	0.7
55.98298	0.6
69.03424	1.0
69.21616	4.0
71.05000	10.2
79.05496	0.7
81.07056	0.8
83.01343	2.1
89.67191	0.6
99.04455	11.7
109.06515	1.6
115.72360	0.7
120.08123	1.9
130.06561	1.3
137.05992	0.9
144.08052	0.9
145.10085	0.6
146.09608	0.8
148.07568	1.1
155.03386	1.0
158.09642	1.2
160.07600	0.7
165.05475	2.3
165.06795	0.6
168.08133	0.7
170.09673	1.5
171.80931	0.7
172.11240	1.3
174.09216	0.9
175.09932	0.8
181.08836	1.1
182.09642	1.4
183.10391	0.7
184.11258	1.5
186.09195	0.6
194.09642	2.9
195.10498	1.0
196.11234	2.8
198.09134	1.2
200.10733	0.7
207.10364	1.2
208.11237	3.1
209.11952	2.1
210.09143	1.2
210.12761	2.6
212.10754	1.6
212.14304	0.8
213.11566	0.9
218.09760	1.2
218.11752	8.6
220.11208	3.9
221.11829	1.1
222.09163	1.1
222.12717	2.2
223.09985	1.0
223.13707	0.6
224.10692	1.8
224.14304	1.8
225.15108	1.0
226.12372	1.5
232.11177	1.0
233.11877	1.5
234.09114	0.9
234.12793	4.3
235.10042	1.2
235.13591	2.2
236.10603	3.2
236.14355	2.0
237.11467	3.9
237.22639	0.6
238.12242	6.9
239.13017	0.7
240.10188	0.9
240.13800	2.0
246.09135	0.8
246.11215	1.5
247.09756	1.2
248.10718	5.1
250.12207	2.0
250.15942	1.0
251.12915	1.0
252.10138	1.4
252.13850	5.7
253.10986	0.7
253.14445	1.5
254.11771	1.4
258.14868	0.9
260.10693	1.5
261.11493	2.7
262.12329	7.7
262.15164	1.1
263.10101	1.0
263.13028	8.8
264.10117	1.4
264.13708	1.9
265.11047	1.1
266.11636	1.4
267.12582	0.8
268.13327	5.6
270.14984	1.8
276.13953	1.6
277.11127	0.8
278.11740	3.2
279.12436	1.3
280.13342	10.2
281.10410	2.5
282.11215	1.3
288.13864	1.8
290.12207	1.0
290.15344	3.1
292.13080	1.1
293.13934	1.0
294.14874	2.4
295.12650	0.7
295.15598	4.0
296.12933	8.6
296.16098	1.3
297.13370	1.9
298.14297	0.9
306.11267	1.8
306.14902	5.2
307.15353	1.4
308.13031	1.3
308.16309	3.3
309.16888	1.2
310.14435	1.4
311.15112	1.9
314.13986	1.8
318.14642	1.5
320.12759	2.0
320.16159	0.7
321.13492	2.7
322.14560	1.1
322.18100	1.7
324.12283	4.6
324.15775	1.5
333.13904	0.9
334.14377	9.2
335.14938	1.5
336.15921	21.8
337.16180	2.0
338.13855	1.1
338.17487	4.8
339.14618	3.9
340.19135	1.7
348.15826	4.0
350.17670	0.9
351.14703	1.5
352.15582	1.6
353.16055	1.0
354.13611	0.8
366.17020	12.7
368.18573	28.0
369.18933	2.4
370.16595	1.6
376.15421	2.4
380.14923	2.7
384.18121	4.0
394.16513	17.7
395.16995	1.3
411.27390	1.0
412.17520	100.0
412.27185	5.6
412.72208	1.2
413.17926	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	412.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.94955	1.1
55.01873	2.1
57.03442	5.0
61.02924	6.4
69.03433	24.7
70.03767	1.5
71.03389	1.1
71.04994	2.2
73.02912	4.5
81.03419	11.5
85.02907	72.8
86.03250	1.6
87.04469	24.9
91.03960	4.8
97.02896	24.6
97.03493	1.8
99.04438	5.2
101.06030	7.5
109.02885	10.1
110.84192	1.1
111.08121	1.2
115.03933	100.0
119.07070	4.2
127.03922	34.6
128.04247	1.4
133.04973	41.1
145.04964	44.0
163.06010	9.5
175.06120	1.2
177.61604	1.1
182.11720	1.3
241.07011	2.3
259.08145	11.6
273.01337	1.1
277.09186	34.6
299.31396	1.1
394.20041	2.3
394.24924	2.6
410.37305	1.2
412.20764	25.4
412.26294	14.7
413.21286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05507	2.6
57.03431	6.2
57.07081	1.6
61.02929	4.5
67.05494	3.2
69.03432	15.9
70.06602	2.4
71.04998	3.6
71.46076	2.3
73.02904	6.2
73.06563	1.7
79.05507	1.8
79.44566	1.3
81.03420	10.0
81.07039	3.2
83.01365	1.6
83.04980	10.3
85.02490	1.0
85.02905	55.8
85.06544	100.0
87.04472	13.9
91.03934	2.3
93.07050	2.0
95.04987	1.8
97.02898	16.2
99.04459	6.0
101.06023	34.5
103.03952	1.9
109.02202	1.4
109.02881	9.5
109.06506	4.1
111.08035	1.9
113.06042	1.4
115.03942	35.3
116.04281	1.5
117.05515	5.1
127.03922	25.4
133.04967	12.6
137.05983	1.7
141.01845	5.2
145.04959	30.3
145.08632	2.3
146.05301	1.5
157.04861	1.6
163.06044	5.9
163.07425	1.5
168.10249	1.6
201.11229	68.5
202.11687	2.5
208.13202	2.1
209.07979	2.1
212.79593	1.5
215.09088	1.7
215.12906	1.8
227.09222	1.8
250.17969	1.4
259.08087	7.3
273.02838	3.8
277.09317	9.5
289.05191	1.8
291.03900	2.7
314.18817	3.3
324.17896	1.9
341.12186	2.0
359.13245	4.3
366.22742	1.6
377.14453	21.2
394.22430	3.2
412.23260	30.7
413.23499	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1889
Annotation	Fluvastatin
Peak:m/z	Relative Intensity
94.72160	0.8
98.23484	2.4
100.11266	1.6
146.33063	1.0
153.96538	0.9
182.15552	0.9
183.44456	0.9
243.38031	1.0
331.74664	1.1
412.18817	100.0
412.49625	1.1
413.19052	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	412.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.8
69.03436	2.8
69.55645	1.1
69.56046	1.8
70.03761	1.1
70.06581	1.4
71.04990	0.8
72.11646	0.6
80.73022	0.5
81.07059	1.2
84.08147	0.8
89.26366	0.7
91.05494	0.6
96.08112	0.7
99.04451	1.0
107.08585	0.8
111.08074	1.9
112.08390	1.0
122.09656	0.8
125.06023	0.6
134.09816	0.7
136.11208	1.0
137.05899	0.7
139.07549	2.2
140.07874	1.0
141.08122	0.6
142.08630	0.6
182.11752	5.0
184.13330	1.2
185.13742	0.6
218.15288	0.8
223.13223	1.1
225.13849	1.0
279.95010	0.6
292.19131	1.8
312.15509	0.9
316.19223	0.9
319.20630	0.7
320.21097	1.1
330.16867	0.6
338.17285	6.0
376.24792	3.0
387.37009	0.6
394.19791	34.6
394.25150	12.0
395.20203	3.4
395.25589	0.8
411.25446	2.0
412.20819	100.0
412.26144	47.1
413.21182	11.4
413.26581	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	412.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23714	0.4
69.43619	1.8
92.99277	0.6
136.11227	0.7
225.78069	0.5
234.14897	0.4
250.18454	0.6
258.14709	1.1
260.16626	0.9
266.38293	0.4
270.82446	0.4
278.17520	3.4
300.15683	0.6
302.73410	0.5
324.12399	0.5
339.14896	0.6
349.16837	0.4
366.20688	1.0
384.21576	4.5
385.21790	0.6
394.20016	2.1
412.21072	100.0
413.16663	0.6
413.21429	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	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05492	5.1
57.03437	27.3
59.04985	2.3
61.02935	9.9
67.05503	2.1
69.03065	2.7
69.03430	47.8
69.07068	1.9
70.41947	2.2
71.04984	5.6
73.02306	1.7
73.02917	43.2
79.05495	1.8
81.03411	5.8
81.07044	3.0
83.04997	1.8
83.08612	8.7
85.02907	84.7
87.04467	17.9
91.03938	4.8
95.04932	2.0
95.08611	2.2
96.08118	2.3
97.02895	57.3
99.04449	3.6
101.09644	2.6
109.02892	7.1
109.06502	2.4
110.09698	1.4
111.08086	4.5
115.03931	61.1
123.08039	2.4
125.05952	2.1
125.09579	1.7
127.03905	26.1
130.06593	1.8
133.04962	43.0
133.08960	3.2
134.09647	1.7
135.08049	1.6
136.11241	2.7
138.12770	2.4
139.03917	1.7
139.07559	2.4
141.09058	2.1
145.04956	40.8
150.07622	6.1
152.31375	1.5
158.09674	4.8
159.10431	4.3
161.09685	1.5
163.06044	17.8
167.10666	2.1
178.08632	1.7
182.11777	2.2
184.13368	1.7
185.11803	2.0
190.48509	1.9
197.11728	4.2
209.11734	2.2
215.12836	2.4
227.12779	1.7
241.07024	5.5
245.13817	5.1
246.14946	1.9
256.13293	3.8
257.14114	4.1
259.08124	5.9
263.14923	7.8
295.10300	4.3
314.13855	13.3
316.15231	2.1
320.18414	1.9
342.13422	2.6
342.84500	1.5
370.12595	2.4
384.17902	2.4
388.21155	23.4
389.21469	4.1
411.71497	3.0
412.17471	100.0
412.22247	17.2
412.26718	5.8
412.72144	9.0
413.17599	11.3
413.22461	2.1
418.22202	6.5
436.23398	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.0
55.05507	3.4
56.73595	1.0
57.03439	17.6
58.06569	1.4
59.05001	3.2
61.02927	14.2
65.28085	1.1
69.03435	33.8
69.07073	1.8
69.17702	5.9
70.06609	2.6
71.01360	3.4
71.04999	6.8
71.91323	1.0
73.02919	74.6
75.74370	1.1
79.05518	2.1
80.05016	1.6
81.03421	8.9
81.07074	2.9
83.08633	3.1
84.08179	1.2
85.02908	100.0
86.09715	2.5
86.13145	1.2
87.04470	8.2
88.89498	1.1
91.03988	6.2
91.05496	1.6
93.07068	1.4
95.05001	1.5
95.08617	2.6
97.02893	54.5
97.06551	1.5
97.27924	1.1
97.76407	0.9
99.04475	4.3
99.08118	1.1
101.09660	1.6
103.03948	2.8
104.10728	1.2
105.01896	1.9
105.07013	1.8
107.08628	1.4
109.02892	8.7
109.06548	1.6
109.10156	1.0
111.08105	3.4
111.11704	1.4
115.03938	45.3
119.08608	1.4
120.08109	1.3
121.10154	1.2
122.09648	1.8
124.07629	1.2
125.06001	1.6
127.03917	35.6
129.09102	2.0
129.12766	1.4
133.04968	42.8
136.11208	2.2
137.06007	1.9
139.07558	2.9
145.04961	51.7
149.09605	1.3
150.07686	3.7
151.11229	1.1
155.10681	1.4
159.67316	1.2
163.06032	22.5
169.05003	1.3
179.10680	1.8
182.11783	4.4
184.07260	6.8
184.13367	2.4
197.11705	2.2
199.06061	2.3
209.11816	1.5
215.12836	3.3
215.18335	1.1
217.07025	1.6
219.65091	1.1
223.06012	7.6
227.12869	1.6
233.13762	1.6
234.14969	1.1
241.07074	7.4
245.13971	2.6
259.08157	13.6
263.14893	5.2
277.09183	10.1
295.10172	3.7
297.53610	1.2
339.18359	1.2
364.21198	2.9
376.24860	3.4
388.21283	2.2
394.26117	8.5
403.21600	1.7
404.20648	1.3
406.22577	1.2
411.71588	3.1
412.21848	23.7
412.26990	27.4
412.72479	7.5
413.21216	3.8
413.26913	1.9
418.22189	1.7
436.22678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.246
Annotation	1-Decanoyllysolecithin
Peak:m/z	Relative Intensity
54.82353	0.3
55.05500	0.6
56.05021	1.0
57.03437	0.7
57.07068	1.9
58.06592	1.0
58.11782	0.4
59.04961	0.4
59.07393	0.4
60.07869	0.7
60.08162	13.6
67.05499	1.0
69.03428	3.4
70.06603	0.5
70.90014	0.5
71.04985	1.8
71.07376	5.4
71.08620	3.2
81.07054	1.6
85.10184	2.2
86.09702	47.2
95.08601	2.9
95.09109	0.4
98.98462	3.1
99.04447	2.2
104.10739	100.0
105.11064	1.7
124.99995	26.2
126.00428	0.4
144.08089	0.5
145.08876	0.5
153.01804	0.6
155.14278	1.0
158.09642	0.6
163.01582	0.6
170.09576	0.4
172.11234	0.9
184.07333	89.4
185.07668	1.6
185.11977	0.7
186.12766	1.0
214.15979	2.2
218.11777	3.7
229.17932	5.0
230.11783	0.4
233.11653	0.4
244.13277	0.7
258.11057	0.8
314.13724	2.1
335.15997	0.5
356.14944	2.4
366.16992	1.0
384.18616	0.4
394.23581	8.0
395.23703	0.7
395.70499	0.5
412.18213	3.8
412.24493	24.0
413.18042	0.6
413.24707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86695	0.4
57.07069	0.7
58.06600	0.7
60.07915	0.5
60.08168	6.3
67.05505	0.5
70.32961	1.0
71.07365	1.9
71.08607	1.4
85.10181	1.1
86.09704	27.7
95.08610	1.0
98.34348	0.5
98.98464	2.0
104.10728	3.1
125.00001	18.8
159.50494	0.5
163.88631	0.4
184.07338	100.0
185.07671	2.0
229.17986	1.8
342.13266	1.1
342.27557	0.5
352.17636	0.5
372.64899	0.4
394.23627	0.9
412.20062	2.5
412.24847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.04238	0.3
55.05500	0.8
56.05038	0.7
58.06598	0.4
62.04982	0.3
66.07154	0.4
67.05492	0.9
68.05048	0.3
69.03436	1.8
69.37074	1.5
70.06587	2.8
71.04993	0.8
79.05499	0.9
80.05032	0.8
81.07050	1.5
82.06589	0.4
84.08141	1.4
85.02920	0.5
85.06551	0.4
85.26568	0.3
91.05498	0.9
93.07056	1.3
94.06555	1.3
95.08610	2.4
96.08147	1.1
97.06545	0.4
98.06133	0.4
99.04430	1.7
101.89280	0.3
105.07024	1.4
107.08569	1.7
108.08099	1.1
109.06480	0.4
109.08870	0.3
109.10150	0.9
110.09684	1.1
111.08073	0.8
115.03890	0.6
119.08566	1.1
121.10155	0.5
122.09665	1.1
123.08079	0.4
124.11199	0.4
125.05983	0.9
131.04936	2.2
133.10078	0.6
134.09659	1.3
135.11664	0.4
136.11206	4.5
137.11519	0.8
138.12750	0.4
139.07594	0.6
142.08630	1.9
145.04993	0.5
145.10085	0.8
147.11646	0.5
148.11197	0.7
150.09138	1.0
150.12825	0.5
152.10672	1.2
154.12332	0.5
156.10294	0.4
160.11153	0.4
162.12802	0.4
163.07532	0.5
170.11852	0.4
171.11610	0.4
182.11758	8.3
183.12083	0.5
184.13361	4.6
200.12828	3.7
209.14011	0.4
222.14923	0.5
234.14886	0.8
236.16437	1.3
251.07074	0.6
264.19592	0.4
292.19067	0.4
294.20584	0.4
302.21152	1.0
308.22394	0.5
318.20554	0.4
320.22171	2.8
338.17172	0.7
348.21747	0.9
376.24799	13.7
377.25116	1.1
394.19986	3.2
394.25763	26.6
395.21014	0.4
395.26175	2.0
412.21048	11.5
412.26767	100.0
413.21426	1.0
413.27127	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	412.2697
Annotation	Saliniketal B
Peak:m/z	Relative Intensity
55.01858	0.7
55.05511	0.5
56.05025	0.8
56.96552	0.8
67.05502	1.5
69.03425	1.4
69.07050	0.9
69.83812	0.3
70.06586	1.4
71.05003	0.6
79.05482	1.4
81.03416	3.9
81.07053	1.2
82.06567	0.6
84.08137	1.1
85.02899	0.7
87.04470	2.8
90.75523	0.3
91.05478	0.9
93.07046	1.1
94.06578	0.4
94.32050	0.3
95.08602	2.0
96.08136	1.7
97.08884	0.5
99.04477	0.4
105.07027	1.0
107.08575	1.3
108.08115	0.5
109.10154	0.6
110.09682	1.6
115.03920	2.1
119.08561	0.9
120.08066	0.5
121.10134	0.6
122.09640	1.1
124.07665	0.3
124.11238	1.0
125.02374	0.5
125.05967	0.6
125.09642	0.5
131.08577	0.5
133.10054	0.5
134.09636	0.9
135.11691	0.4
136.11206	7.5
138.12770	1.2
145.10075	0.7
147.11595	0.4
148.11166	0.8
150.12766	2.2
151.13499	0.7
152.10736	1.1
153.82550	0.3
159.11678	0.4
160.11258	0.5
162.12785	2.4
164.14363	2.3
170.11758	0.4
173.13396	0.4
176.14388	0.3
178.15959	0.4
180.17470	0.4
182.11732	0.5
184.13322	1.0
190.15891	1.0
192.17493	0.4
204.17487	0.5
206.19060	1.0
210.55646	0.3
216.13823	0.4
218.15408	0.5
220.13263	0.5
227.09535	2.2
234.14877	1.1
236.16435	4.2
236.18449	0.2
245.10626	1.7
254.17503	2.2
256.13272	0.5
263.11664	0.8
314.13821	0.7
320.22162	5.5
348.25302	1.0
366.22501	0.4
366.26440	0.4
376.24805	6.7
377.25116	0.5
394.20663	1.1
394.25854	31.4
395.26324	2.7
412.26889	100.0
413.11246	0.4
413.21280	0.9
413.27237	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	412.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
53.71246	0.3
55.01883	1.2
55.05511	1.3
57.03435	0.7
67.05495	1.9
68.05053	0.4
69.03431	5.1
69.07068	0.9
70.06591	1.2
71.04999	2.6
73.02932	0.5
79.05503	1.3
80.05015	1.1
81.03413	1.8
81.07036	1.6
82.06609	0.4
83.04985	0.9
83.08624	0.5
84.08146	2.0
85.02910	8.9
85.06559	0.6
87.04465	1.8
91.03944	0.6
91.05486	1.1
93.07043	3.0
94.06579	1.0
95.04970	0.5
95.08614	3.2
96.08144	1.3
97.02884	2.8
97.06557	0.7
97.10213	0.4
99.04456	2.7
100.07583	0.5
101.06028	0.6
105.07046	1.3
105.40945	0.3
107.08591	1.9
108.08137	1.0
109.02890	1.2
109.06544	0.5
109.10157	1.1
110.09681	2.0
111.08108	1.5
112.07636	0.8
114.09196	0.7
115.03932	7.1
117.07047	0.5
118.44510	0.3
119.08609	1.1
119.10583	0.3
120.08141	0.7
121.10164	0.8
122.09659	1.9
123.08086	0.5
123.10463	0.3
123.11749	0.4
124.07639	0.6
124.11256	0.8
125.06034	0.9
125.09607	0.5
126.09206	0.4
127.03915	3.3
127.07504	0.4
128.07141	0.5
129.05510	0.7
131.08636	0.3
133.04977	2.0
133.10167	0.4
134.09621	1.8
135.08052	0.3
135.11679	0.8
136.11226	4.3
137.05991	0.8
138.09155	1.5
138.12756	0.5
139.07582	0.7
140.07878	0.6
142.08640	2.1
143.08649	0.4
145.04935	3.5
145.10141	0.5
147.11783	0.4
148.11218	0.7
148.30307	0.4
149.09618	0.5
150.09181	1.5
152.10753	1.4
154.12286	0.4
156.10229	0.6
159.11751	0.4
160.11249	0.6
162.12776	0.8
163.06064	1.0
164.10696	0.4
164.14377	0.7
166.12296	0.7
168.10251	1.4
175.11281	0.7
176.10706	0.6
176.14461	0.4
182.11766	21.9
183.12131	0.9
184.13335	3.0
185.08101	0.3
185.13599	0.5
190.12340	0.4
190.15942	0.4
194.11717	0.6
201.11108	0.3
207.12474	0.4
208.13348	0.7
215.12819	0.8
220.13438	0.5
222.18492	0.7
232.13411	0.5
233.14165	0.5
234.14920	1.6
236.16409	1.9
250.18102	0.9
259.08133	0.8
262.18118	1.6
277.09137	1.8
278.17639	1.2
302.21448	0.6
306.17108	0.9
320.21738	0.8
330.24173	0.5
348.21628	0.7
348.25522	1.1
358.24280	0.4
366.26346	0.4
376.24841	11.6
377.25418	0.8
392.24576	0.4
394.25903	28.0
395.26346	2.0
412.26907	100.0
413.27298	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	412.2695
Annotation	Saliniketal B
Peak:m/z	Relative Intensity
55.01876	0.4
55.05513	0.5
56.05032	0.4
58.06594	0.3
67.05496	0.7
67.37244	0.3
69.03428	0.7
69.07082	0.5
70.06588	2.5
71.04993	0.4
79.05486	0.8
80.05000	0.8
81.07051	0.8
82.06589	0.7
83.08630	0.3
84.04497	0.4
84.08134	1.7
91.05475	1.0
93.07040	1.3
94.06570	1.0
95.04942	0.4
95.08599	2.2
96.08127	1.4
97.06542	0.4
98.09682	0.5
98.23476	0.5
99.04450	0.9
99.87320	0.3
105.07028	1.3
107.08598	1.6
108.08128	1.7
109.06511	0.5
109.08910	0.7
109.10157	0.7
110.09670	2.1
112.07636	0.4
114.09194	0.5
115.24284	0.2
117.07015	0.3
119.08589	1.0
121.07462	0.2
121.10143	0.5
122.09684	1.6
123.08064	0.3
123.10438	0.8
124.07557	0.6
124.11241	0.8
125.05986	1.0
125.09564	0.4
126.09178	0.6
131.08557	0.6
133.10149	0.9
134.09650	0.6
135.08078	0.3
135.11736	0.5
136.11206	4.6
136.12129	0.5
138.09120	0.4
138.12781	0.6
142.08638	1.3
145.10086	0.5
147.11691	0.5
148.11215	0.7
149.11981	0.5
150.09116	0.6
150.12776	0.4
152.10687	2.0
154.12279	1.0
159.11723	0.7
162.12791	1.1
164.10751	0.4
166.12315	0.9
168.10176	0.4
170.11888	0.3
180.13855	0.7
182.11766	9.9
184.13321	5.1
184.14812	0.4
200.12810	5.4
201.12997	0.3
208.13423	0.5
234.14890	0.7
236.16444	1.3
247.80988	0.4
252.15900	0.4
262.18066	0.8
264.19586	0.4
280.18781	0.4
294.20782	0.7
296.62662	0.3
302.21347	0.7
304.22766	0.3
318.20670	0.6
320.22198	3.0
330.24292	0.3
348.21689	1.3
366.22687	0.4
376.24823	17.1
377.25174	1.5
394.25870	28.4
395.26376	2.1
412.26901	100.0
413.27264	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	412.2696
Annotation	Saliniketal B
Peak:m/z	Relative Intensity
53.03958	0.4
53.71246	0.3
55.01883	1.2
55.05511	1.3
57.03435	0.7
67.05495	1.9
68.05053	0.4
69.03431	5.1
69.07068	0.9
70.06591	1.2
71.04999	2.6
73.02932	0.5
79.05503	1.3
80.05015	1.1
81.03413	1.8
81.07036	1.6
82.06609	0.4
83.04985	0.9
83.08624	0.5
84.08146	2.0
85.02910	8.9
85.06559	0.6
87.04465	1.8
91.03944	0.6
91.05486	1.1
93.07043	3.0
94.06579	1.0
95.04970	0.5
95.08614	3.2
96.08144	1.3
97.02884	2.8
97.06557	0.7
97.10213	0.4
99.04456	2.7
100.07583	0.5
101.06028	0.6
105.07046	1.3
105.40945	0.3
107.08591	1.9
108.08137	1.0
109.02890	1.2
109.06544	0.5
109.10157	1.1
110.09681	2.0
111.08108	1.5
112.07636	0.8
114.09196	0.7
115.03932	7.1
117.07047	0.5
118.44510	0.3
119.08609	1.1
119.10583	0.3
120.08141	0.7
121.10164	0.8
122.09659	1.9
123.08086	0.5
123.10463	0.3
123.11749	0.4
124.07639	0.6
124.11256	0.8
125.06034	0.9
125.09607	0.5
126.09206	0.4
127.03915	3.3
127.07504	0.4
128.07141	0.5
129.05510	0.7
131.08636	0.3
133.04977	2.0
133.10167	0.4
134.09621	1.8
135.08052	0.3
135.11679	0.8
136.11226	4.3
137.05991	0.8
138.09155	1.5
138.12756	0.5
139.07582	0.7
140.07878	0.6
142.08640	2.1
143.08649	0.4
145.04935	3.5
145.10141	0.5
147.11783	0.4
148.11218	0.7
148.30307	0.4
149.09618	0.5
150.09181	1.5
152.10753	1.4
154.12286	0.4
156.10229	0.6
159.11751	0.4
160.11249	0.6
162.12776	0.8
163.06064	1.0
164.10696	0.4
164.14377	0.7
166.12296	0.7
168.10251	1.4
175.11281	0.7
176.10706	0.6
176.14461	0.4
182.11766	21.9
183.12131	0.9
184.13335	3.0
185.08101	0.3
185.13599	0.5
190.12340	0.4
190.15942	0.4
194.11717	0.6
201.11108	0.3
207.12474	0.4
208.13348	0.7
215.12819	0.8
220.13438	0.5
222.18492	0.7
232.13411	0.5
233.14165	0.5
234.14920	1.6
236.16409	1.9
250.18102	0.9
259.08133	0.8
262.18118	1.6
277.09137	1.8
278.17639	1.2
302.21448	0.6
306.17108	0.9
320.21738	0.8
330.24173	0.5
348.21628	0.7
348.25522	1.1
358.24280	0.4
366.26346	0.4
376.24841	11.6
377.25418	0.8
392.24576	0.4
394.25903	28.0
395.26346	2.0
412.26907	100.0
413.27298	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	412.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.06308	0.5
55.01861	1.5
55.05517	4.0
56.05032	3.8
57.03421	0.5
57.07064	1.0
59.05003	0.7
60.04545	2.4
65.03934	1.2
67.05504	11.9
68.05026	1.2
69.03427	4.0
69.07071	4.1
69.10500	3.5
70.06559	0.9
71.05006	3.0
71.08643	0.9
77.03880	0.7
79.05046	0.8
79.05494	13.8
79.37806	0.5
80.05006	4.0
81.03410	1.7
81.05788	2.2
81.07053	11.2
82.06577	4.9
83.04964	0.9
83.08618	2.5
85.06522	1.9
85.16378	0.5
87.04477	3.5
91.05487	5.5
93.07046	23.7
94.05992	1.0
94.06570	19.0
94.07169	1.2
95.04984	5.4
95.08605	19.5
96.08131	3.8
96.08710	0.5
96.08897	0.4
97.06532	5.5
97.10172	1.8
99.08098	0.7
102.41745	0.5
103.05443	0.8
105.04507	1.7
105.07030	11.5
107.07334	2.4
107.08619	0.6
110.09682	12.4
111.08090	14.2
121.10168	0.7
122.09669	35.1
123.08069	27.7
123.09973	1.2
124.08434	0.6
128.10721	41.8
129.11050	0.9
135.11740	0.7
136.12083	0.5
140.10701	100.0
141.09116	10.9
141.10982	2.9
154.21553	0.5
158.11761	8.5
163.03860	0.6
181.75473	0.5
198.11282	0.5
219.21025	0.5
233.11655	1.1
254.24895	1.5
272.25845	6.7
336.32541	0.6
364.32028	1.3
376.31934	0.5
382.33267	5.0
383.33267	0.9
394.33170	14.6
395.33417	1.0
411.71606	0.9
412.21643	1.8
412.34415	12.5
413.34772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77239	0.3
71.46875	0.4
79.07618	0.4
79.41965	0.4
81.27617	0.4
109.58645	0.4
110.84492	0.4
134.09572	0.4
137.05902	0.4
146.49297	0.4
155.03398	0.8
162.63951	0.4
176.04446	0.5
201.05180	4.7
214.66339	0.4
216.07558	28.8
217.08125	2.0
219.06244	0.7
220.13947	0.4
229.08310	0.5
257.10150	0.6
340.15244	0.4
365.13666	0.5
387.60339	0.5
413.15677	100.0
414.15961	4.7
414.19821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01872	1.6
55.05498	1.6
56.96565	1.2
57.03432	4.1
59.04992	0.8
61.02928	5.7
69.03065	0.9
69.03431	17.9
69.67349	2.0
71.01331	0.6
71.04994	3.8
73.02924	3.7
76.47106	0.5
81.03419	9.9
83.04977	6.2
85.02906	62.5
86.03223	0.8
87.04468	25.1
88.04852	0.5
88.55728	0.6
91.03963	1.4
97.02892	16.1
97.03490	1.0
98.97610	1.1
99.04464	4.5
101.02384	1.8
101.06023	11.2
103.03944	1.6
106.25101	0.5
109.02882	9.7
110.97588	0.9
115.03933	100.0
116.04288	2.1
116.98651	0.7
118.08672	2.4
127.03916	35.1
128.04266	0.9
128.98589	1.1
129.05458	1.3
129.93950	0.7
133.04968	23.1
137.08069	0.9
145.04959	27.7
146.05296	0.9
146.99687	1.0
153.44444	0.5
157.04956	1.4
163.06007	7.0
175.06039	0.9
179.00134	0.6
181.04942	1.0
197.01288	0.7
212.06844	0.4
225.60167	0.5
227.09143	0.5
237.02922	0.5
241.07091	1.0
258.00583	0.9
259.08096	10.1
260.08282	0.6
273.02811	3.9
276.01645	0.7
277.09186	14.2
281.12408	0.7
283.63074	0.6
291.03912	4.0
297.02942	0.7
299.04886	0.5
315.03876	2.3
327.03937	1.1
359.13342	2.0
377.14386	1.9
413.24057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
59.64023	0.3
61.02931	0.3
63.05514	0.3
65.03908	0.4
69.03420	1.5
70.03756	0.4
70.06597	0.9
71.86169	0.3
73.02904	0.9
81.03427	0.7
81.07087	0.4
83.04945	0.4
85.02909	1.7
86.09695	0.4
87.04475	0.4
91.05477	0.4
93.07083	0.4
94.04185	0.6
95.04934	0.4
97.02888	1.0
97.36958	0.4
99.04444	0.5
109.02853	0.7
111.04443	0.5
115.03904	0.8
119.08527	0.5
119.42428	0.3
121.06631	0.4
122.03645	0.8
127.03906	0.9
127.07578	0.4
133.06488	0.4
137.02385	1.6
137.05971	6.4
137.09644	0.4
143.08496	0.3
181.04974	0.4
184.21442	0.4
203.05229	0.4
251.05534	0.8
305.50690	0.3
349.22458	0.4
357.15063	0.6
386.19791	0.5
395.22803	2.9
412.72202	1.6
413.21429	100.0
414.22174	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	413.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05515	20.1
56.05033	8.7
57.07077	6.3
57.70203	1.3
57.82773	1.2
58.99367	1.1
58.99590	12.3
60.04504	2.4
61.01149	5.7
65.03926	2.8
67.05162	1.8
67.05508	30.9
68.04986	2.4
68.53626	1.3
69.06712	1.9
69.07067	21.2
69.63537	4.4
70.06574	4.4
71.08624	3.7
73.01138	1.5
74.00657	4.2
74.35703	1.2
76.02232	8.1
76.04006	5.8
79.05498	15.3
80.05006	4.7
81.07059	35.1
82.06577	2.4
82.07357	1.2
83.08625	15.9
84.04524	6.2
84.08132	5.1
85.01134	4.7
85.10204	1.7
86.00644	3.8
86.99053	5.4
87.02699	9.8
88.02203	6.3
88.03983	4.8
90.03813	2.2
91.05489	7.3
93.07051	12.7
94.06596	1.5
95.04956	1.8
95.08607	34.7
96.08120	2.1
97.01116	18.9
97.10161	10.0
98.04800	1.2
98.09653	2.1
99.02669	6.5
100.02196	2.6
101.04230	4.0
102.03715	1.2
105.07058	6.6
107.08577	6.7
109.10169	16.8
111.02661	2.0
111.11708	1.7
112.03966	5.4
113.04234	4.7
114.03769	2.6
114.05510	1.5
116.01680	19.9
116.05305	8.6
119.08595	2.9
121.10158	8.6
123.11705	5.0
125.04252	1.6
127.05763	2.6
130.05025	5.5
133.10120	3.1
135.11711	3.8
136.08043	1.3
137.13272	1.9
139.05775	2.9
141.07362	1.3
144.01140	3.5
147.11681	2.7
149.13235	2.6
150.30347	1.2
162.02194	5.8
176.79996	1.2
233.22614	1.6
250.25356	1.3
252.26862	18.3
259.24084	1.8
264.26898	7.8
267.21405	4.9
293.22891	8.8
310.25745	18.2
310.27411	27.0
321.22540	2.5
396.25677	10.2
413.28192	100.0
413.32541	47.0
414.19717	1.6
414.28253	8.0
414.32352	1.8
414.33279	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40283	1.3
53.03947	2.2
55.01873	1.4
55.05515	68.6
57.03182	2.3
57.03441	27.6
57.07078	64.3
59.04993	1.8
67.05161	1.9
67.05508	27.5
67.26649	1.2
69.03446	1.6
69.07068	85.8
70.07399	1.3
70.77342	1.5
71.04990	3.6
71.08272	2.3
71.08633	36.3
73.06556	1.3
74.16385	1.2
79.05486	10.5
81.07058	34.3
83.04998	2.6
83.08621	56.6
84.08978	1.9
84.84969	1.3
85.10181	17.5
91.05465	2.0
91.43786	1.2
93.07043	18.3
95.08608	31.8
96.46803	1.4
97.06532	11.8
97.10172	34.5
98.10506	1.6
98.23462	1.3
101.06057	1.7
105.07024	1.4
107.08601	13.8
108.08891	1.5
109.10159	16.9
111.08089	6.5
111.11716	9.1
115.07521	2.2
121.10140	13.0
123.11726	7.0
125.09653	7.2
125.13288	1.7
127.01706	1.5
129.09126	2.1
135.11728	11.5
137.13255	2.4
139.11192	7.9
143.10683	1.8
149.13324	8.9
153.12755	5.5
163.14835	5.6
167.14357	4.2
177.16422	3.5
181.15868	3.5
191.17943	3.2
195.17485	2.7
209.19011	1.6
219.21136	1.9
223.20575	1.8
280.34909	1.2
303.30533	5.1
321.31561	15.8
322.31616	1.9
395.35223	12.8
413.36301	100.0
414.19238	2.7
414.36581	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	414.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.4
55.01870	0.5
55.04240	1.9
57.58097	0.4
67.05500	2.1
68.05031	1.0
69.03384	0.7
70.06567	0.5
70.74416	0.7
72.88462	0.3
79.05486	0.5
80.05015	2.2
82.06579	19.0
83.04974	1.2
83.07358	34.6
84.07696	0.6
84.08173	0.4
91.05470	0.5
93.07035	0.9
95.04963	0.5
95.08598	9.2
97.02880	0.4
99.04460	0.5
105.07028	0.6
106.06564	3.4
106.11983	0.4
111.04441	5.2
118.06496	0.5
120.08099	5.2
121.08864	0.5
122.09657	12.2
122.57275	0.4
123.04417	6.3
123.08070	2.4
133.06473	1.0
134.09619	0.7
136.07570	0.4
137.98805	0.3
144.08115	0.5
148.07596	1.1
148.11197	0.6
151.07539	4.8
152.10675	1.4
155.03322	0.8
162.09210	0.4
163.13504	0.4
166.08607	0.6
172.11250	3.2
172.91293	0.4
174.12744	0.5
176.10722	1.2
180.10182	48.1
181.10532	1.8
188.10707	0.4
190.12225	1.9
191.09335	0.5
200.10707	1.7
218.11748	33.3
219.12329	2.6
220.13266	0.6
232.16707	0.4
260.16336	0.8
283.07355	0.4
316.15414	100.0
317.15720	6.1
355.31757	0.4
379.63651	0.4
414.19089	9.2
415.19412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1909
Annotation	Solidaline
Peak:m/z	Relative Intensity
53.50618	0.2
55.01854	0.7
55.02093	0.2
58.71521	0.2
69.68829	0.4
70.06584	0.4
81.07014	0.3
84.08105	0.2
85.02879	0.3
93.07040	0.5
95.08582	0.4
97.02892	0.2
98.23503	0.2
99.04414	0.5
105.07014	0.3
107.08594	0.4
109.06446	0.2
115.15306	0.2
125.05990	0.4
127.03859	0.2
132.07994	0.3
136.11238	0.4
145.10121	0.2
150.12718	0.5
160.11218	0.3
164.14420	0.3
167.07083	0.2
204.10205	0.4
216.10178	0.8
217.10968	1.3
228.10248	0.4
228.13852	1.6
242.11833	0.6
246.14966	0.2
256.13226	0.3
270.14825	0.6
287.11664	0.3
300.12305	1.5
301.12805	0.4
302.13864	0.3
304.22723	0.3
307.89096	0.2
314.13812	1.9
315.14435	0.9
316.15414	59.1
317.15686	3.8
322.23758	0.5
328.15298	0.9
338.17493	0.2
340.15649	0.3
373.29712	0.2
378.26416	1.5
386.19611	0.6
396.27530	2.8
397.27744	0.2
414.19070	100.0
414.28360	10.5
415.19516	8.7
415.28662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.04237	1.8
55.05498	1.1
67.05502	4.1
68.05016	0.7
70.89677	0.5
79.05495	0.5
80.04996	1.9
81.07041	0.6
82.06101	0.8
82.06583	17.1
83.04959	2.1
83.07360	35.4
84.07675	0.9
88.55276	0.4
91.05457	0.6
93.07040	1.0
95.04960	1.0
95.08031	0.9
95.08607	13.0
97.55006	0.4
99.04472	0.7
105.07021	1.6
105.83356	0.4
106.06548	3.1
108.08141	0.5
110.06052	0.9
111.04442	7.1
118.06561	0.5
120.08117	5.8
122.09668	10.8
123.04427	7.0
123.08062	3.3
133.06459	0.9
134.09631	1.6
146.45718	0.5
148.07539	1.7
151.07538	6.5
152.10704	1.5
155.03369	1.0
160.11201	1.2
163.13618	0.5
166.08635	0.9
172.11176	4.1
176.10677	1.1
180.10191	52.0
181.10509	2.5
185.08430	0.7
188.10692	0.7
190.12238	1.6
191.13103	0.6
200.10683	1.5
214.12283	0.6
218.11760	25.5
219.12413	3.0
220.13298	1.1
227.91962	0.5
257.78223	0.5
286.14368	0.7
287.15134	1.8
288.15918	0.6
298.14273	0.7
316.15427	100.0
317.15799	6.2
340.15314	1.0
386.19711	0.6
396.18344	0.8
414.19101	24.1
415.19360	1.3
426.16364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.5
55.01860	0.7
55.05496	0.5
55.65592	0.4
57.03441	0.6
67.01862	0.8
67.05493	0.9
69.03407	1.0
70.07692	1.1
71.04996	2.2
79.01869	0.7
83.01347	4.8
83.04970	0.5
87.33430	0.4
93.07046	0.4
95.01336	0.6
95.08614	0.9
99.04457	18.5
103.03955	0.6
109.02851	1.0
114.34467	0.4
120.08131	1.0
127.03965	0.7
131.07365	0.4
132.08119	1.3
140.01022	0.6
144.08072	1.2
146.09631	3.1
155.03384	100.0
156.03709	2.1
157.08884	1.0
158.09679	2.9
159.10405	2.2
160.07559	0.7
161.55013	0.5
162.12793	1.3
164.94925	0.4
165.05402	0.5
167.07053	3.8
171.10405	0.6
172.11200	9.5
173.11723	0.5
174.12836	1.2
184.11218	1.7
185.12016	0.6
186.12796	3.6
187.13527	4.9
199.13608	0.5
212.14317	0.6
214.12300	0.5
214.15909	7.9
218.11777	4.7
230.11726	1.2
231.12521	0.6
232.13374	1.0
240.13850	0.6
242.15515	1.4
250.12364	0.4
260.16446	61.2
261.16763	2.4
286.47900	0.4
298.36432	0.4
312.15411	0.5
336.16260	0.5
368.18546	3.3
370.20099	0.7
383.69962	0.5
396.18054	1.2
414.19083	29.8
415.19501	1.6
417.31894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05469	0.3
67.01875	0.6
67.05494	0.7
69.03408	0.5
71.04985	1.8
71.40250	0.3
79.01849	0.6
79.05468	0.4
83.01331	3.7
83.04942	0.4
87.78177	0.3
93.11288	0.2
95.01318	0.3
95.08589	0.8
96.84229	0.2
99.04453	15.5
103.03826	0.2
107.04914	0.3
107.28360	0.3
109.02886	0.8
111.08038	0.3
120.08128	0.4
123.00785	0.3
127.03894	0.6
132.08066	0.5
139.07556	0.4
144.08069	0.7
145.08881	0.4
146.09647	2.3
155.03378	100.0
156.03691	1.6
157.08839	0.9
158.09636	2.5
159.10461	1.6
160.07530	0.7
160.11221	0.7
162.12790	0.8
165.05562	0.4
167.07024	3.6
169.08379	0.3
172.11203	6.9
173.12038	0.3
174.12770	1.2
183.06476	0.4
184.11174	2.0
185.11942	0.8
186.12776	3.6
187.13551	4.1
188.13803	0.4
200.10631	0.6
214.15887	8.4
215.16248	0.5
218.11754	5.5
230.11823	0.9
231.12448	0.7
232.13292	0.8
240.13803	0.5
242.15327	1.8
260.16446	67.9
261.16803	3.6
264.13849	0.4
265.14697	0.4
266.46005	0.3
268.13257	0.4
274.14328	0.5
312.16003	0.4
338.17468	0.6
341.16397	0.5
358.16113	0.3
368.18439	3.1
370.20114	0.7
396.17963	1.0
414.19098	30.8
415.19516	2.1
422.44260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22633	0.2
55.01844	0.8
55.05505	0.3
60.70785	0.2
69.03400	0.9
69.07022	0.2
70.06564	0.3
71.24368	0.4
71.60383	0.2
73.02908	0.4
79.05486	0.5
81.49842	0.2
85.02885	1.0
91.05448	0.4
95.08622	0.4
97.02873	0.6
97.06525	0.5
99.04431	0.4
99.73606	0.3
105.07018	0.4
109.02879	0.3
113.05936	0.2
115.03878	0.4
119.10159	0.2
120.08115	1.6
121.06496	0.3
122.09644	0.4
123.68617	0.3
125.05956	0.6
127.03917	0.7
131.08527	0.3
132.08087	0.3
136.11089	0.3
138.09065	0.4
148.11246	0.3
149.09639	0.3
160.11218	0.3
166.08676	0.2
167.10556	0.3
177.98524	0.2
187.09837	0.3
204.10226	0.6
216.10225	0.6
217.10976	1.1
228.10103	0.5
228.13828	2.0
233.14017	0.2
242.11722	1.0
252.12346	0.4
256.13281	0.4
270.14789	0.7
287.11392	0.3
298.14221	0.4
300.12250	2.0
301.12680	0.3
302.13742	0.3
314.13889	2.2
315.14737	1.1
316.15439	62.0
317.15762	3.6
328.15414	1.4
338.17392	0.3
340.15475	0.4
344.14877	0.3
378.26340	0.8
386.19614	0.9
396.27411	2.2
399.16714	0.5
414.19098	100.0
414.28369	5.7
415.19525	8.6
415.28101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27769	0.3
55.01873	2.3
55.05505	0.3
57.03437	0.4
65.03944	0.6
67.05499	2.7
68.05035	0.6
69.03435	3.2
69.07062	0.5
70.06596	9.7
71.61230	0.2
79.05485	1.2
81.03416	1.1
81.07050	1.4
83.04961	0.5
84.08147	0.4
85.02905	2.4
86.06084	0.3
86.09684	0.5
86.40151	0.3
87.04450	0.8
91.05479	0.6
93.07041	1.5
94.06550	0.7
95.04973	1.7
95.08607	1.1
96.08126	1.2
97.02914	2.1
97.06515	0.4
98.06013	0.3
98.23505	0.6
99.04459	0.7
105.07011	1.2
106.06602	0.5
106.07367	0.5
107.04996	0.4
107.08600	0.6
108.08135	0.7
109.02824	0.3
109.06507	0.6
110.06090	0.5
110.06837	0.3
110.09697	0.4
111.10474	0.3
115.03928	1.6
117.07021	0.5
119.08654	0.4
120.08112	1.3
121.06522	0.9
121.08913	1.8
122.09693	0.7
123.04436	10.6
123.08065	0.4
124.57901	0.3
125.05962	0.8
127.03928	1.3
129.06995	0.3
131.08582	0.6
133.04973	1.1
133.06523	0.6
134.09648	2.4
136.07654	0.4
137.05978	1.1
138.09111	0.8
143.08553	0.3
145.04951	1.4
145.10103	0.8
146.09602	1.5
148.02162	0.7
148.11194	0.8
149.05931	0.5
150.09108	1.0
151.07515	0.6
158.09657	1.5
159.10391	0.5
159.11678	0.3
160.07547	0.4
160.11206	2.0
161.05940	0.3
161.12036	2.4
163.06111	0.3
165.07874	0.9
166.03204	0.6
166.08661	1.1
170.09697	0.5
171.10294	0.4
172.11229	8.3
173.09615	0.3
173.11897	1.3
174.12733	0.6
175.07539	0.4
176.10800	0.4
178.08673	0.8
184.11217	1.1
186.09142	0.7
186.12747	0.4
187.07599	0.4
187.09761	0.3
188.10645	0.5
190.08607	0.4
198.12798	1.0
199.09862	0.3
200.10741	1.6
200.14413	1.8
202.08644	3.9
204.10211	2.2
205.10899	1.7
214.12476	0.3
216.10184	1.5
217.11005	10.4
218.11731	3.6
218.15167	0.3
220.09790	1.7
220.13300	0.9
224.10733	1.2
225.11412	0.3
226.12262	0.8
227.13087	0.6
228.13795	1.8
229.14511	0.5
230.11720	0.9
232.13374	0.5
234.11497	0.4
242.11786	1.2
243.12569	1.1
244.13354	0.5
245.13824	0.3
246.14867	0.8
248.12830	1.4
266.12079	0.4
274.14392	0.4
276.12308	10.9
277.12714	0.5
290.13925	4.3
294.14954	1.0
296.16501	1.1
302.13898	1.0
304.15497	0.3
316.15436	3.7
317.15900	0.5
322.14377	2.0
340.15439	6.7
340.19284	0.5
341.15924	0.6
350.17566	0.3
352.19058	0.8
356.14975	3.5
386.19669	1.0
396.17825	1.0
399.16635	0.7
405.21899	0.3
413.72864	0.4
414.19092	100.0
415.19458	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	414.1911
Annotation	Solidaline
Peak:m/z	Relative Intensity
53.27769	0.3
55.01873	2.3
55.05505	0.3
57.03437	0.4
65.03944	0.6
67.05499	2.7
68.05035	0.6
69.03435	3.2
69.07062	0.5
70.06596	9.7
71.61230	0.2
79.05485	1.2
81.03416	1.1
81.07050	1.4
83.04961	0.5
84.08147	0.4
85.02905	2.4
86.06084	0.3
86.09684	0.5
86.40151	0.3
87.04450	0.8
91.05479	0.6
93.07041	1.5
94.06550	0.7
95.04973	1.7
95.08607	1.1
96.08126	1.2
97.02914	2.1
97.06515	0.4
98.06013	0.3
98.23505	0.6
99.04459	0.7
105.07011	1.2
106.06602	0.5
106.07367	0.5
107.04996	0.4
107.08600	0.6
108.08135	0.7
109.02824	0.3
109.06507	0.6
110.06090	0.5
110.06837	0.3
110.09697	0.4
111.10474	0.3
115.03928	1.6
117.07021	0.5
119.08654	0.4
120.08112	1.3
121.06522	0.9
121.08913	1.8
122.09693	0.7
123.04436	10.6
123.08065	0.4
124.57901	0.3
125.05962	0.8
127.03928	1.3
129.06995	0.3
131.08582	0.6
133.04973	1.1
133.06523	0.6
134.09648	2.4
136.07654	0.4
137.05978	1.1
138.09111	0.8
143.08553	0.3
145.04951	1.4
145.10103	0.8
146.09602	1.5
148.02162	0.7
148.11194	0.8
149.05931	0.5
150.09108	1.0
151.07515	0.6
158.09657	1.5
159.10391	0.5
159.11678	0.3
160.07547	0.4
160.11206	2.0
161.05940	0.3
161.12036	2.4
163.06111	0.3
165.07874	0.9
166.03204	0.6
166.08661	1.1
170.09697	0.5
171.10294	0.4
172.11229	8.3
173.09615	0.3
173.11897	1.3
174.12733	0.6
175.07539	0.4
176.10800	0.4
178.08673	0.8
184.11217	1.1
186.09142	0.7
186.12747	0.4
187.07599	0.4
187.09761	0.3
188.10645	0.5
190.08607	0.4
198.12798	1.0
199.09862	0.3
200.10741	1.6
200.14413	1.8
202.08644	3.9
204.10211	2.2
205.10899	1.7
214.12476	0.3
216.10184	1.5
217.11005	10.4
218.11731	3.6
218.15167	0.3
220.09790	1.7
220.13300	0.9
224.10733	1.2
225.11412	0.3
226.12262	0.8
227.13087	0.6
228.13795	1.8
229.14511	0.5
230.11720	0.9
232.13374	0.5
234.11497	0.4
242.11786	1.2
243.12569	1.1
244.13354	0.5
245.13824	0.3
246.14867	0.8
248.12830	1.4
266.12079	0.4
274.14392	0.4
276.12308	10.9
277.12714	0.5
290.13925	4.3
294.14954	1.0
296.16501	1.1
302.13898	1.0
304.15497	0.3
316.15436	3.7
317.15900	0.5
322.14377	2.0
340.15439	6.7
340.19284	0.5
341.15924	0.6
350.17566	0.3
352.19058	0.8
356.14975	3.5
386.19669	1.0
396.17825	1.0
399.16635	0.7
405.21899	0.3
413.72864	0.4
414.19092	100.0
415.19458	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	414.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21621	0.2
52.70947	0.2
55.01820	0.5
55.05441	1.1
56.04961	1.7
56.37862	0.2
59.09378	0.2
60.17997	0.2
67.05423	1.7
69.03359	0.7
69.03701	0.2
69.06989	0.7
70.06509	2.1
70.96528	0.4
71.04915	1.2
79.05486	1.9
80.04955	0.4
81.07051	2.4
81.23749	0.2
83.08546	0.5
84.08053	1.3
85.06493	0.3
91.05463	1.5
93.07048	2.0
94.06551	0.4
95.04903	0.4
95.08607	3.7
96.08128	1.2
97.06438	0.2
97.08854	0.2
97.10036	0.3
97.98267	0.2
98.09617	0.7
98.10232	0.2
99.04448	1.8
105.07041	1.7
107.08589	2.2
108.08083	0.4
109.06445	0.4
109.10130	1.1
110.09588	0.9
111.08022	0.4
112.07531	0.2
117.06915	0.5
119.08572	1.6
120.08089	0.3
121.10044	0.8
122.09654	1.6
123.07991	0.2
123.10421	0.3
124.07584	0.2
124.11108	0.6
125.05922	0.6
131.08472	0.8
132.07983	0.3
133.10074	1.0
134.09557	0.5
135.07997	0.2
135.11581	0.7
136.11215	3.6
137.11905	0.4
137.12962	0.3
138.12680	0.8
143.08501	0.4
145.10036	0.8
147.11580	0.7
148.11096	0.7
149.09540	0.3
150.09039	0.7
150.12769	3.7
151.13452	0.4
152.10667	0.5
159.11565	0.7
161.13168	0.5
162.12668	0.9
163.13501	0.3
164.10611	0.3
164.14383	1.8
165.14597	0.2
168.10223	0.6
170.11694	0.4
171.11565	0.4
173.13219	0.3
174.12646	0.2
176.14224	0.4
182.11703	0.3
184.13223	0.6
190.15871	0.2
192.17349	0.6
206.18958	0.2
218.15337	0.3
222.14844	0.4
224.16296	0.5
226.17767	0.2
235.09659	0.5
236.16435	1.9
238.17947	0.9
254.17361	0.2
264.19592	0.3
280.22589	0.4
296.22110	0.7
304.22623	3.3
316.15436	3.5
317.15738	0.3
322.23749	4.3
323.24191	0.4
332.25763	0.4
342.23987	0.3
360.25327	0.8
378.26376	14.6
379.26657	0.8
396.27417	29.1
397.27792	1.9
414.19162	5.7
414.28470	100.0
415.19684	0.5
415.23508	0.4
415.28781	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	414.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78186	0.8
55.05256	1.2
55.05513	16.6
57.06818	1.0
57.07078	13.2
58.06598	1.8
60.74242	0.6
67.05502	2.8
67.67868	0.6
69.07071	26.6
69.86021	0.7
71.08638	6.9
79.05502	1.1
81.07066	4.0
83.08620	21.2
85.10186	3.6
91.05473	1.4
93.07043	2.2
95.08623	3.6
95.09130	0.7
97.10175	20.1
102.05550	11.9
104.07107	100.0
105.07432	1.2
107.08598	2.0
109.10171	1.4
111.11716	8.2
119.08582	15.0
121.10147	1.9
125.13284	3.1
135.11711	1.5
137.13252	1.0
139.14838	1.2
149.13150	0.7
156.55728	0.6
167.17932	0.7
209.19002	1.4
240.19742	1.0
275.27423	2.5
293.28372	10.7
311.29327	1.0
325.84622	0.7
328.29361	0.6
330.37488	0.7
331.29758	0.6
336.32758	0.9
364.32181	1.1
396.34741	16.4
397.35165	1.6
397.44531	0.7
414.18890	1.3
414.35641	2.3
432.64154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22797	0.7
52.68745	0.7
55.05479	0.7
56.96571	10.6
58.34843	0.8
69.03419	2.8
70.06590	1.3
71.43069	0.9
72.08136	0.7
84.08172	0.6
84.96047	1.2
85.02916	1.8
98.97591	78.3
99.04458	1.3
99.97910	0.8
110.97528	1.2
115.03942	1.2
116.98629	41.6
122.07133	0.8
124.99122	1.3
127.03967	1.1
128.98631	0.9
130.93306	2.9
134.99661	11.4
136.06194	27.4
137.06680	8.8
143.00150	1.2
146.99568	0.8
148.94485	0.7
152.05705	1.8
158.92810	0.9
161.01257	1.4
162.12752	0.9
172.94348	4.5
173.01230	0.9
174.12834	1.3
177.00797	0.9
186.99326	0.8
190.95428	3.6
196.03850	0.8
200.97467	1.1
202.95358	0.8
202.99010	1.7
203.00815	1.1
205.00571	1.6
205.04059	0.7
208.96629	1.4
214.95508	2.9
216.96950	1.3
216.98792	1.6
219.01915	1.0
220.99982	1.4
221.01894	1.0
223.01645	3.4
228.96802	1.0
228.98747	2.4
229.00661	1.0
230.98456	2.5
231.00273	2.9
231.02113	2.4
232.96468	7.3
237.02788	1.8
242.98553	1.0
244.96454	0.8
245.01581	0.8
246.97577	0.9
246.99887	5.3
247.99933	1.3
248.99506	9.1
250.97517	2.2
256.96472	17.5
262.97513	1.6
263.34146	0.7
267.00616	1.0
271.00006	1.1
273.03000	0.9
274.97531	100.0
275.97952	1.9
277.00986	2.0
288.16080	1.8
289.00729	1.7
289.16785	2.4
290.96973	2.1
291.00354	1.7
292.01138	0.8
292.98581	48.7
293.99112	1.3
297.99167	1.5
299.01016	1.9
301.02679	1.2
308.97821	0.9
313.06207	0.7
315.00366	0.8
316.00333	1.0
317.02304	3.1
318.98697	1.2
327.02539	4.4
345.03589	5.2
355.03024	3.4
373.03159	12.9
374.03296	1.7
391.02200	8.5
392.50385	1.0
396.97308	1.4
398.19452	1.7
414.95291	4.2
414.99512	2.7
415.04294	1.5
415.09964	16.4
415.15927	1.8
415.25323	1.3
416.20679	21.6
432.96246	5.6
433.01758	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	415.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13317	0.9
53.03947	4.6
55.01875	3.4
57.03428	7.8
61.02927	10.1
67.05478	1.0
69.03063	1.9
69.03433	33.9
70.06580	1.9
70.58785	0.9
70.68784	1.3
71.05002	3.7
73.02914	11.6
81.03417	20.3
81.07071	1.7
83.01344	1.4
85.02908	100.0
86.03208	1.9
86.09708	2.9
87.04471	30.3
89.06029	42.4
90.70575	1.1
91.03941	8.7
93.07042	1.5
95.04990	1.4
97.02894	39.8
99.04460	6.9
101.02412	1.6
105.07046	1.7
107.08527	1.1
107.50732	1.1
109.02878	13.0
109.06533	1.3
115.03934	99.6
116.04263	2.4
119.08555	1.1
121.02871	11.1
127.03918	49.0
127.04884	2.3
133.04973	24.2
133.05992	1.4
133.06482	2.6
133.08603	24.0
137.06039	1.9
139.03928	2.6
145.04964	68.1
146.05235	2.0
157.04942	1.3
162.12753	1.3
163.06015	5.7
174.12837	1.7
177.11226	6.8
180.10068	1.3
190.12433	1.3
221.13986	1.2
221.48500	1.1
251.86592	1.1
259.08185	11.1
277.09164	2.5
288.16092	1.4
289.16742	2.6
388.20984	1.3
398.19659	1.9
414.22006	7.7
415.17938	1.2
415.22748	16.6
416.20767	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01878	1.6
57.03442	3.9
61.02921	6.1
69.03424	20.7
70.33562	0.7
71.04988	1.8
73.02917	7.7
81.03419	11.9
85.02902	67.7
86.09696	1.2
87.04465	26.0
91.03970	3.4
91.05428	0.7
91.23643	0.8
97.02881	19.5
99.04459	3.9
101.02400	1.3
103.03945	17.8
109.02859	6.6
115.03928	100.0
116.04281	2.8
121.06502	5.0
127.03909	29.3
128.04286	1.2
133.04959	24.4
141.06985	0.8
145.04950	34.8
157.04961	3.1
158.07349	1.0
159.08022	1.4
163.06024	4.7
163.07404	1.3
175.06097	1.9
175.07477	1.3
187.07568	4.2
205.08568	3.8
211.07497	1.6
217.07069	2.7
229.08517	6.1
241.07181	1.3
247.09639	6.7
259.08157	6.5
260.94327	0.8
273.35974	0.8
277.09204	7.0
389.36307	0.9
415.22696	3.2
415.27917	1.2
416.20462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.96565	0.7
57.03440	6.6
57.07059	1.0
61.02917	1.6
67.05495	1.4
69.03414	1.0
69.07064	1.3
69.66098	1.9
69.66442	1.1
73.02941	0.6
79.05485	1.2
80.94848	2.7
81.07043	2.4
82.94538	1.0
83.08630	1.4
83.97736	0.8
87.33736	0.8
91.05465	4.5
93.07043	1.8
95.08591	1.6
96.92219	1.2
97.10171	1.0
98.91956	1.3
98.97596	3.2
104.99277	0.9
105.07024	1.1
107.08577	1.9
111.11723	0.8
116.98606	2.4
117.05498	18.2
117.07011	2.7
119.08585	100.0
120.08915	2.7
133.06490	1.6
135.08034	1.8
162.12823	1.2
168.25044	1.0
174.12712	1.9
190.12286	2.0
256.96298	1.4
258.14896	0.9
272.16122	0.9
273.17078	0.8
274.97406	3.6
288.15976	2.7
289.16641	3.1
292.98508	1.7
302.13974	0.9
342.17120	1.8
354.20193	0.9
355.15347	5.3
357.20004	4.7
373.16760	4.5
388.21191	1.0
397.16623	59.0
397.29309	1.9
398.16937	2.8
414.35184	1.0
415.17505	8.5
416.20709	36.8
438.19183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	1.8
58.06600	100.0
59.06924	0.9
61.27208	0.3
67.05509	0.5
69.07072	1.4
79.05499	0.4
81.07060	0.8
83.06132	0.3
85.50928	0.3
86.06043	0.4
86.09709	8.0
91.05475	10.4
93.07066	0.4
95.08637	0.5
97.06556	0.6
98.09698	1.0
98.97591	0.4
99.04441	0.3
102.90974	0.3
103.05495	0.6
105.07045	0.8
105.56045	0.3
108.08125	0.6
109.10165	0.3
111.05527	0.4
113.07124	2.0
114.09193	1.4
115.05462	1.1
115.08690	3.0
116.07049	0.3
116.98660	0.3
117.05781	0.8
117.07032	0.6
119.08614	0.4
120.08114	0.4
122.09639	0.5
125.07163	0.5
126.05515	0.6
126.07876	0.6
129.07007	0.8
130.06552	1.3
131.07327	0.4
132.08087	25.3
133.08418	0.7
134.09610	0.6
143.08203	1.3
144.08063	1.7
146.09653	4.1
149.09628	0.6
150.09102	0.3
152.90903	0.3
155.86357	0.3
157.07764	0.3
159.09232	0.5
160.07555	2.0
161.10809	0.4
162.12791	1.0
169.13383	0.7
171.09196	1.7
171.14920	13.3
172.11333	0.4
173.10750	0.8
174.12842	1.2
181.13371	0.5
188.07121	2.1
188.11871	1.7
189.10229	11.5
190.10629	0.6
190.12337	0.9
199.10831	0.4
199.14413	11.4
200.11823	2.1
210.16016	2.9
217.07632	0.4
217.09721	8.2
218.10048	0.4
227.15388	0.6
228.11493	0.3
238.15512	6.7
239.15382	2.2
242.15240	0.4
245.16504	0.8
256.18091	19.5
257.18466	0.8
272.08292	0.3
272.16638	0.5
274.97446	0.6
284.17578	1.9
288.15976	0.8
289.16754	1.1
301.15469	1.4
302.15015	10.5
302.18204	0.6
303.15292	0.8
312.17044	29.3
313.17438	2.1
327.16989	1.4
330.18115	8.3
342.16870	0.6
358.21194	7.4
359.21478	0.6
384.19266	0.3
387.23627	0.3
388.21286	0.5
397.22333	0.9
398.19846	0.7
415.23465	18.5
416.20432	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05509	4.5
57.03438	43.2
57.07065	1.8
58.03782	0.5
61.02631	0.8
61.02927	9.6
65.03953	0.6
67.05507	4.4
69.03422	0.7
69.07067	6.7
69.89207	1.4
70.06591	0.6
71.04991	0.8
71.08620	0.6
75.04483	1.4
79.05506	2.2
80.94848	0.7
81.07056	7.2
82.43482	0.4
83.08624	6.1
89.11588	0.4
91.05455	3.4
93.07069	2.6
95.08604	5.9
97.06538	1.0
97.10174	5.8
97.36233	0.4
98.22825	0.8
98.97567	0.7
99.04449	0.7
105.04568	0.5
105.07019	0.9
107.08593	2.2
109.06478	0.4
109.10160	2.8
111.08061	0.5
111.11725	2.8
114.57326	0.5
117.05492	100.0
118.05836	1.5
119.08579	57.4
120.08930	1.9
121.10176	2.2
122.09625	0.6
123.11714	1.5
124.60704	0.5
125.06003	0.4
125.09646	0.5
125.13289	1.2
128.86745	0.4
133.06477	0.9
133.10152	1.1
133.16521	0.4
134.09558	0.8
135.08026	0.5
135.11714	1.0
144.08047	0.4
147.11667	0.8
149.13289	0.8
155.03409	0.4
161.13219	0.7
162.12820	2.4
163.14798	1.3
165.12744	0.5
168.10135	0.6
174.12782	2.3
175.13579	0.5
175.14876	0.5
175.65533	0.4
176.10870	0.4
179.14330	0.6
179.55682	0.4
181.15952	0.5
181.81128	0.4
186.12973	0.5
189.16447	0.6
190.12263	2.5
191.11412	0.4
200.10603	0.8
207.17415	0.5
214.12253	0.6
216.13808	0.6
221.19131	0.5
242.15437	0.5
245.22670	1.3
250.29156	0.4
256.37732	0.5
260.16425	0.6
263.23798	3.7
270.14777	0.5
274.97562	1.5
281.24756	3.1
284.12717	0.5
288.15991	2.6
289.16776	2.9
305.24817	1.5
342.16943	2.5
357.19980	1.6
388.21063	1.7
397.29529	14.8
398.19757	2.1
398.29541	1.1
415.36087	0.9
416.20679	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	416.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
60.75643	0.2
64.61784	0.3
65.03955	0.3
69.03422	1.1
69.24565	1.0
69.24978	0.6
77.68131	0.2
79.05478	0.6
80.05006	0.5
80.26082	0.2
81.03396	0.3
82.06551	0.3
85.02914	0.8
91.05491	2.2
93.07041	0.9
94.06558	0.6
97.02877	0.3
99.04467	0.5
105.01871	0.5
105.07034	5.5
106.07311	0.3
107.08560	0.4
108.04465	0.3
115.05409	0.3
117.06998	0.5
118.07800	0.7
122.09659	0.9
123.04359	0.3
127.03914	0.8
131.08568	2.1
133.10132	100.0
134.09630	0.6
134.10471	3.5
136.11215	0.3
145.04951	0.3
147.11664	0.6
150.09166	0.8
150.12743	0.5
153.05460	0.4
160.11176	0.4
162.12778	1.5
164.10687	0.3
167.07057	1.0
168.10269	0.4
174.12814	0.7
175.11203	0.6
175.13490	0.3
181.04985	0.4
182.11856	0.3
186.12802	0.4
190.12318	1.4
200.10782	0.7
230.11743	1.4
234.14920	0.5
241.12254	0.3
242.15535	0.3
249.11295	0.4
256.13419	0.3
260.16473	0.3
270.14688	0.4
273.17291	0.4
284.12811	0.7
286.14456	0.4
288.15994	1.1
289.16757	1.3
314.13913	0.5
318.16837	0.3
329.16278	0.9
340.19153	1.0
342.13376	1.3
342.17191	1.0
384.14447	0.7
388.21286	0.6
398.19513	1.3
416.20703	28.4
417.11444	0.4
417.20840	2.6
417.26318	0.4
432.91934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
60.75643	0.2
64.61784	0.3
65.03955	0.3
69.03422	1.1
69.24565	1.0
69.24978	0.6
77.68131	0.2
79.05478	0.6
80.05006	0.5
80.26082	0.2
81.03396	0.3
82.06551	0.3
85.02914	0.8
91.05491	2.2
93.07041	0.9
94.06558	0.6
97.02877	0.3
99.04467	0.5
105.01871	0.5
105.07034	5.5
106.07311	0.3
107.08560	0.4
108.04465	0.3
115.05409	0.3
117.06998	0.5
118.07800	0.7
122.09659	0.9
123.04359	0.3
127.03914	0.8
131.08568	2.1
133.10132	100.0
134.09630	0.6
134.10471	3.5
136.11215	0.3
145.04951	0.3
147.11664	0.6
150.09166	0.8
150.12743	0.5
153.05460	0.4
160.11176	0.4
162.12778	1.5
164.10687	0.3
167.07057	1.0
168.10269	0.4
174.12814	0.7
175.11203	0.6
175.13490	0.3
181.04985	0.4
182.11856	0.3
186.12802	0.4
190.12318	1.4
200.10782	0.7
230.11743	1.4
234.14920	0.5
241.12254	0.3
242.15535	0.3
249.11295	0.4
256.13419	0.3
260.16473	0.3
270.14688	0.4
273.17291	0.4
284.12811	0.7
286.14456	0.4
288.15994	1.1
289.16757	1.3
314.13913	0.5
318.16837	0.3
329.16278	0.9
340.19153	1.0
342.13376	1.3
342.17191	1.0
384.14447	0.7
388.21286	0.6
398.19513	1.3
416.20703	28.4
417.11444	0.4
417.20840	2.6
417.26318	0.4
432.91934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11052	0.3
55.01861	0.4
57.03406	0.2
57.22139	0.3
62.06084	0.4
67.05485	0.4
69.03424	1.1
69.38850	0.5
69.39242	0.7
71.04949	0.2
71.31126	0.3
77.14925	0.3
79.05496	0.7
80.05026	0.5
81.03423	0.7
81.07063	0.4
85.02918	1.3
87.00839	0.6
91.05484	1.8
93.07044	1.0
93.56172	0.3
95.08620	0.3
97.02897	0.9
98.22731	0.5
99.04469	0.4
105.01904	1.4
105.07039	13.9
106.07355	0.3
107.08577	0.5
110.17131	0.2
115.05449	0.8
117.07044	0.8
118.07799	0.5
122.09691	0.9
127.03919	1.8
131.08565	2.7
133.10138	100.0
134.09659	0.5
134.10501	3.2
135.08069	0.3
136.11211	0.6
144.12491	0.2
145.04929	0.9
147.11674	0.3
150.09155	1.1
150.12740	0.5
157.10205	0.3
158.09645	0.3
162.12816	0.6
164.10707	0.3
165.72096	0.2
167.07008	1.8
168.10278	0.4
172.11349	0.3
173.05974	0.2
174.12787	1.0
175.13589	0.4
181.05037	0.8
189.09142	0.4
190.12302	1.1
200.10741	0.4
201.12724	0.3
216.13847	0.4
230.11780	2.3
231.05009	0.4
234.14873	0.5
241.12225	0.3
246.83234	0.3
249.06049	0.6
249.11203	0.5
256.13412	0.3
257.19073	0.3
274.14780	0.3
274.18021	0.4
284.12772	0.3
288.15906	0.5
289.16882	1.4
302.13812	0.3
307.37402	0.2
329.16174	1.6
340.18924	0.4
342.17017	0.9
358.16885	0.3
388.21399	0.7
398.19888	0.7
416.20734	26.3
417.15536	0.8
417.21185	1.8
443.13150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01867	1.3
55.05506	1.4
57.03452	1.2
61.02916	1.6
63.54884	0.5
67.05511	2.0
69.03074	0.6
69.03435	11.8
69.07080	0.7
70.67271	0.9
71.04995	2.0
73.02920	0.6
77.26360	0.6
79.05513	0.7
80.05037	3.2
81.03432	3.6
81.07051	1.3
83.01327	1.2
84.08100	0.5
85.02908	17.7
87.00841	1.6
87.04475	7.1
91.03952	0.8
91.05497	3.5
93.07069	1.2
94.06583	2.0
94.97984	0.5
95.04996	0.6
95.08651	0.7
97.02898	5.3
97.06533	1.5
98.58743	0.6
99.04465	3.0
101.05988	0.5
103.05475	0.7
105.01873	3.2
105.07050	7.0
107.04961	1.1
107.08619	0.8
109.02888	2.8
109.10159	0.8
115.03127	0.8
115.03935	15.1
115.05360	0.6
116.04265	0.5
117.07026	1.4
117.78802	0.6
120.08127	0.7
122.09674	5.9
123.04362	0.8
125.05997	1.3
127.03922	9.5
129.06938	0.7
129.09094	0.7
131.04944	1.2
131.08568	2.5
132.10831	0.6
133.04951	5.1
133.10138	36.4
134.09648	1.8
136.11232	1.3
138.09158	0.7
143.08598	0.8
144.08101	0.6
145.04961	9.1
146.09615	1.1
148.07642	0.7
148.11200	0.8
150.09169	5.1
151.07558	0.7
153.05501	0.9
159.02951	0.8
160.11276	0.9
161.02380	0.7
162.12785	3.9
163.06035	1.6
163.07645	0.9
164.10680	0.8
167.07034	6.5
168.10231	2.6
171.08092	0.8
173.05995	1.2
174.12785	2.1
181.04948	4.3
182.11792	1.4
186.12794	1.0
190.12289	2.8
191.07114	1.4
196.77521	0.6
200.10715	0.7
202.12111	0.6
203.44446	0.6
208.13435	1.7
230.11838	4.6
231.05049	0.9
234.14801	1.5
247.09845	1.1
249.11279	2.4
256.13229	1.2
258.14990	0.8
259.08163	2.6
260.16580	1.0
262.18219	1.8
268.13666	0.7
270.14932	0.9
272.16562	1.0
277.09177	3.5
284.12988	1.4
286.14462	0.7
288.15979	2.4
289.16650	4.2
290.17435	0.6
300.15945	0.8
302.13876	0.7
318.17102	1.2
329.16147	2.7
340.19040	1.0
342.17035	3.1
345.96173	0.8
358.16452	1.7
384.18124	2.1
387.14328	0.9
388.21423	2.0
398.19733	4.0
416.20712	100.0
417.15869	1.2
417.20984	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	416.2068
Annotation	Alpinine
Peak:m/z	Relative Intensity
55.01876	0.8
55.05512	0.6
56.96558	1.8
57.07073	0.5
60.16529	0.4
64.70059	0.3
65.15836	0.3
65.27277	0.3
67.05505	1.0
68.15469	0.4
69.03428	0.4
69.07076	0.8
69.67717	0.6
69.68094	0.7
70.06607	0.5
70.99073	0.3
71.04999	0.6
79.05496	0.4
81.07063	0.8
82.06597	0.4
83.01321	0.6
83.08643	0.6
91.05486	1.1
93.07040	0.7
94.06563	0.5
96.08135	0.4
99.04467	1.2
105.07040	0.6
108.08133	0.5
108.15176	0.4
116.98602	0.5
119.08579	12.1
120.08126	0.7
120.08907	7.8
120.73050	0.5
122.09685	1.0
125.05972	0.7
131.08595	0.6
132.08142	0.6
134.09645	2.5
136.11211	3.4
138.09198	0.4
145.10123	0.7
146.09639	0.6
147.85193	0.4
148.11238	1.5
158.09697	0.6
159.08017	0.6
160.11212	0.8
161.11952	0.5
162.09169	0.7
162.12776	8.0
163.13443	0.5
164.10689	1.1
172.11276	1.1
173.11942	0.4
174.12782	8.9
175.13571	2.0
176.10753	1.0
183.11703	0.4
186.12743	1.9
187.13628	0.5
188.10791	1.2
188.14316	0.7
189.09108	0.5
190.12265	8.6
200.10683	2.2
200.14447	0.7
202.12302	1.5
205.31116	0.4
210.12785	0.4
212.14456	0.5
214.12331	1.1
214.15926	0.7
216.13881	1.6
218.11783	0.7
226.12296	0.5
228.10249	0.4
228.13882	0.5
230.15527	0.5
232.13345	0.8
234.14992	0.9
235.24260	0.5
238.12357	0.5
240.13922	0.8
242.15413	1.3
249.11282	0.4
252.14030	0.5
256.13306	1.1
258.14941	1.0
260.16476	1.4
270.14920	1.4
272.16388	2.0
273.17282	2.2
274.14459	0.8
274.18018	1.5
283.19250	0.5
284.12820	1.0
286.14380	0.6
288.15936	6.8
289.16702	10.8
290.17300	1.4
297.13724	0.5
300.16058	0.9
302.13873	1.0
310.14365	0.5
313.20398	2.1
316.15442	0.5
318.17099	0.8
328.15372	0.5
331.21609	0.7
338.17526	0.5
340.18976	1.2
342.17010	6.0
343.17563	0.5
344.22183	0.5
356.18317	0.7
370.20294	0.7
372.21713	0.7
388.21124	5.3
389.21335	0.5
398.19702	6.7
399.19827	0.6
416.20691	100.0
417.21167	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	416.2068
Annotation	Alpinine
Peak:m/z	Relative Intensity
55.01857	1.3
55.28097	0.3
66.17766	0.3
67.05499	1.8
69.03071	0.6
69.03430	10.9
74.66512	0.3
79.05485	0.8
80.05017	6.3
81.07036	0.5
82.06567	0.7
83.01340	0.7
84.08157	0.4
91.05466	1.0
93.07017	0.4
94.06567	5.1
95.07344	0.9
96.08104	0.6
99.04424	0.7
105.07053	1.7
107.04973	0.5
107.08581	0.4
108.08117	1.3
109.06541	0.5
109.08904	0.5
110.09681	1.7
119.08577	0.4
120.08109	0.8
121.06508	0.7
122.09661	12.4
125.05993	0.8
128.06203	0.6
132.08095	0.8
134.09636	3.7
136.07558	0.4
136.11148	0.6
138.09137	1.0
146.09665	1.2
148.07564	1.1
149.05968	1.1
150.07919	0.5
150.09134	10.1
151.07573	0.6
152.10614	0.5
155.07071	0.9
159.08038	0.4
160.11197	0.9
161.09552	0.5
164.10779	0.4
165.05444	0.6
165.09151	0.5
168.10207	6.2
171.07948	0.4
172.11205	0.5
173.05928	0.4
178.06232	0.4
179.07054	0.4
180.10161	0.6
181.08595	1.4
182.11765	2.5
183.06541	0.9
186.96724	0.3
189.09183	0.7
193.08635	0.5
200.10725	1.0
206.11771	0.9
208.13332	4.0
217.08641	0.5
219.06519	0.5
234.14954	0.7
247.09610	3.2
249.11212	6.8
284.12799	2.3
302.14020	1.2
314.13867	0.4
314.17310	0.5
327.14902	0.5
328.15466	1.2
342.17050	1.1
358.16443	4.5
398.19592	0.4
401.18335	1.0
416.20673	100.0
417.21011	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	416.2069
Annotation	Alpinine
Peak:m/z	Relative Intensity
55.01870	1.3
55.05510	0.6
65.03926	0.5
67.05501	2.4
68.05042	0.5
69.03431	11.5
69.36726	1.0
69.37109	0.9
79.05499	0.8
80.05021	7.4
81.07063	0.8
82.06580	0.7
83.01363	1.0
83.07368	0.5
83.26509	0.4
84.08167	0.7
85.81827	0.3
87.38703	0.5
91.05496	1.1
94.06564	4.9
95.04979	0.5
95.07317	1.0
95.08581	0.8
96.08121	0.7
97.06489	0.5
97.97717	0.4
98.22745	0.7
99.04488	0.9
105.07021	1.8
106.06573	0.9
108.08141	0.7
109.06532	0.9
109.08901	0.5
110.09690	1.8
120.08141	1.0
121.06533	0.8
122.09666	13.0
123.08074	0.7
125.06004	0.8
127.03969	0.5
131.08595	0.6
134.09647	3.8
138.09163	1.3
143.08594	0.8
146.09622	0.8
148.07584	0.9
149.05972	0.7
150.09140	12.0
151.07542	0.8
152.10753	0.8
155.07030	0.6
158.09587	0.4
159.08353	0.6
159.10541	0.4
160.11292	0.8
162.09279	0.5
165.05476	0.8
167.07089	0.7
168.10191	7.1
169.04933	0.5
171.08089	0.5
179.07059	0.8
180.10217	1.0
181.08591	1.5
182.11757	3.8
183.06572	1.0
184.07712	0.4
187.07414	0.4
189.09193	0.7
190.12355	0.7
206.11852	0.7
207.06609	0.6
207.10184	0.5
208.13332	3.8
216.13828	0.4
217.08652	0.7
218.11786	0.5
232.13437	0.5
234.11255	0.4
234.15018	0.8
247.09621	2.0
249.11221	8.3
249.13626	0.4
260.16336	0.6
272.16528	0.4
284.12799	1.5
302.13843	1.3
328.15482	1.0
342.17096	0.7
358.16486	5.2
401.18210	1.2
416.20685	100.0
417.20959	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	416.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
69.03450	0.5
69.07042	0.4
70.85152	0.6
71.05006	0.6
79.05482	0.4
80.05025	0.9
82.55231	0.4
83.01375	0.5
94.06574	0.4
99.04447	2.3
105.07042	0.8
106.06600	0.7
109.85126	0.4
120.08124	1.1
122.09663	0.7
123.79878	0.5
125.06005	0.7
127.03970	0.5
131.08594	0.5
134.09677	1.9
136.11223	2.1
144.08141	0.7
145.10216	0.6
146.09593	0.5
148.11211	0.9
150.09131	0.8
155.03424	0.6
156.03711	0.8
158.09676	0.7
160.11218	1.2
162.09131	0.5
162.12805	6.2
164.10760	1.4
172.11220	1.1
174.12796	6.4
175.13562	2.1
176.10782	0.9
184.11230	0.7
185.11949	0.5
186.12772	2.2
190.12286	7.2
200.10742	2.2
200.14355	0.8
201.15152	0.5
202.12331	1.2
214.12344	1.6
216.13881	1.7
218.11845	0.9
228.13913	0.7
232.13284	1.0
234.14954	1.3
238.12366	0.6
242.15437	1.8
244.13278	0.5
252.13879	0.9
256.13416	1.8
256.16827	0.4
258.14893	1.1
260.16382	3.0
262.17618	0.6
270.14981	2.4
272.16519	2.8
273.17215	1.5
274.14362	0.6
274.18088	0.5
282.14777	0.8
284.13095	0.9
284.16217	0.4
286.14487	1.2
288.15955	6.6
289.16705	9.1
290.17422	1.0
296.12723	0.9
300.15860	1.3
302.13971	1.0
310.14444	1.1
310.17670	0.5
312.16016	0.7
316.15466	0.5
318.17212	1.1
325.16772	0.5
328.15479	0.7
338.17514	0.7
340.19003	2.2
342.17020	6.5
344.22043	0.7
356.18646	0.6
356.24414	0.5
360.21960	0.5
362.65967	0.5
370.20322	1.3
372.21884	0.9
384.18109	2.4
388.21167	4.7
398.19608	6.9
399.19958	0.6
416.20706	100.0
417.20993	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	416.2065
Annotation	Alpinine
Peak:m/z	Relative Intensity
55.01875	1.0
56.05022	0.4
67.05491	0.4
69.03443	0.4
69.40543	1.0
71.04988	0.5
79.05474	0.4
80.05025	0.7
81.07026	0.3
82.06555	0.2
83.01328	0.4
83.04948	0.2
90.18653	0.2
91.05492	0.5
93.06995	0.2
94.06565	0.7
96.08143	0.4
99.04445	2.2
105.07034	0.4
106.06547	0.3
108.08150	0.4
109.06532	0.3
117.06970	0.3
120.08110	0.7
121.08887	0.2
122.09692	0.5
125.05994	0.6
128.06232	0.3
129.06993	0.4
131.08548	0.3
132.08095	0.7
133.08844	0.3
134.09660	2.0
136.11206	2.7
141.07039	0.3
143.08563	0.2
144.08051	0.4
145.08923	0.2
145.10077	0.4
146.09679	0.7
147.10367	0.3
148.11215	1.0
155.08450	0.3
158.09669	0.8
159.08098	0.3
160.11250	1.0
162.09109	0.7
162.12779	7.9
163.09911	0.4
163.13513	0.5
164.10710	1.5
172.11195	1.8
173.09645	0.3
173.12029	0.4
174.09233	0.7
174.12773	9.1
175.13499	2.0
176.10706	1.6
184.11206	0.5
185.09680	0.3
185.11850	0.3
186.12788	1.9
187.13474	0.4
188.10704	1.0
188.14407	0.5
190.12259	8.1
191.13008	0.5
198.12752	0.4
200.10669	2.1
200.14346	0.6
201.11435	0.5
201.15044	0.4
202.12242	1.2
203.12901	0.3
207.06555	0.4
210.12807	0.4
212.10658	0.4
212.14265	0.3
214.12212	1.2
214.15912	0.6
216.13782	1.6
218.11795	0.8
222.12828	0.3
226.12318	0.5
228.10278	0.4
228.13828	0.5
228.17485	0.3
229.18242	0.4
230.11761	0.3
230.15479	0.8
232.13295	0.7
234.14949	0.3
238.12195	0.4
239.13071	0.3
240.13831	0.7
242.15390	1.2
244.13237	0.7
252.13707	0.5
256.13220	1.2
258.14886	1.4
260.16501	1.4
261.17227	0.3
264.13715	0.3
266.11908	0.3
270.14810	1.7
272.16470	2.0
273.17145	2.6
274.11588	0.3
274.14474	0.8
274.17996	1.6
282.14893	0.6
284.12796	1.2
286.14398	1.1
288.15924	8.0
289.16693	11.9
290.17368	1.0
296.13031	0.3
300.16083	1.3
300.18988	0.3
302.13992	1.3
302.17059	0.3
310.14319	0.7
310.17715	0.3
316.15442	0.5
318.17062	0.5
328.15491	0.4
328.19028	0.5
338.17401	0.4
340.19128	0.8
342.16992	7.6
343.17426	0.4
344.22125	0.8
348.16003	0.3
355.18173	0.4
356.18536	0.4
360.21674	0.4
370.20120	1.3
372.21698	1.1
383.17200	0.3
384.18295	0.4
388.21213	5.7
389.21747	0.5
398.19614	7.8
399.19867	0.5
416.20657	100.0
417.20969	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2071
Annotation	Alpinine
Peak:m/z	Relative Intensity
55.01868	1.8
55.05508	3.3
57.07071	3.7
67.05498	1.7
69.03416	1.1
70.70020	0.9
71.04996	1.7
72.63481	0.9
83.01371	1.0
85.37901	0.9
87.08109	11.2
91.05459	1.2
94.06576	1.1
95.05070	0.9
96.68057	0.8
97.06548	1.9
99.04464	2.3
105.07035	1.5
109.06517	1.6
118.06570	4.2
119.08583	1.8
120.08129	1.5
122.09645	1.2
125.06007	1.1
129.05492	1.7
132.08096	1.4
134.09662	3.4
136.11226	1.2
139.21964	0.9
141.09691	0.8
143.07388	0.8
146.06013	10.3
146.09750	0.9
147.06778	3.0
148.07574	7.9
154.56195	0.9
155.07037	2.4
159.06815	1.0
160.07614	3.4
162.12790	6.4
164.10733	1.2
165.05481	2.4
172.07596	1.2
172.11229	2.9
173.08414	1.7
174.09218	4.6
174.12807	8.3
175.13402	1.1
176.10812	0.9
182.09624	1.3
183.06554	7.8
184.93550	0.9
186.09091	1.3
186.12804	1.8
190.08661	2.0
190.12265	6.2
200.10773	2.6
201.11559	1.5
202.08638	5.7
202.10303	1.1
202.12267	22.1
210.09251	1.2
216.13852	1.4
218.11890	1.5
228.13861	2.8
234.14842	2.1
238.08563	1.6
240.13893	1.5
242.15390	1.6
252.10216	1.2
256.09656	1.4
256.13351	2.5
258.15088	0.9
260.16525	2.1
262.18051	1.2
268.13446	2.2
272.16473	2.6
273.17178	2.0
280.09521	0.8
284.09106	1.6
284.12692	1.6
288.15973	7.3
289.16702	8.5
293.13895	0.9
299.84723	1.0
302.13718	1.4
310.14584	1.0
312.12262	9.6
322.17996	1.0
330.13354	12.7
340.18976	1.1
342.16949	8.1
366.16995	4.5
372.22061	1.0
384.18079	2.5
388.21130	4.8
398.19617	14.8
399.20135	1.0
416.20697	100.0
417.21094	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	416.2069
Annotation	Alpinine
Peak:m/z	Relative Intensity
53.03910	0.2
55.01870	1.4
55.05497	0.3
59.04973	0.3
67.01830	0.2
67.05498	1.1
69.03430	1.8
69.45521	0.5
70.06582	0.3
71.04966	0.2
79.05481	0.7
79.22359	0.1
80.04995	0.6
81.07029	0.6
82.06564	0.1
83.01312	0.4
83.04951	0.4
84.08159	0.6
91.05495	1.0
93.05771	0.3
93.07059	0.7
94.06573	0.7
95.04947	0.3
95.08620	0.3
96.08121	0.2
97.06495	0.6
99.04432	0.5
101.05981	0.4
103.05499	0.2
105.07026	1.2
106.06544	0.4
107.04939	0.2
107.08565	0.3
108.08124	0.8
109.06505	0.5
110.09669	0.8
111.08067	0.2
116.06241	0.1
117.06987	0.4
119.08556	0.1
120.08112	1.2
121.06507	0.8
121.08884	0.2
122.09662	5.3
123.04397	0.2
123.08037	0.4
123.09934	0.2
125.05972	1.6
125.09609	0.2
127.03884	0.2
128.06189	0.3
129.07001	0.3
131.07317	0.1
131.08513	0.2
132.08095	0.7
133.06485	1.8
133.08879	0.2
133.10080	0.2
134.09647	3.0
135.07979	0.4
135.10435	1.4
136.11244	1.0
137.05942	0.3
137.09578	0.2
138.09142	1.3
138.12741	0.2
139.07472	0.2
141.05434	0.2
143.08516	0.4
144.08000	0.2
145.10034	0.2
146.09624	1.3
147.10373	0.4
148.07564	0.2
148.11206	3.0
149.05948	0.5
150.09158	1.1
150.12798	0.6
151.07503	0.4
152.10658	0.4
153.05453	0.6
155.03320	0.3
155.07025	0.2
158.09666	0.3
159.08044	0.1
160.09038	0.2
160.11211	5.2
161.06044	0.2
161.09624	0.3
161.11714	0.3
162.09120	0.4
162.12782	1.5
163.13547	1.2
165.05470	0.4
167.07011	0.6
168.10187	0.3
171.08041	0.2
172.11176	0.2
173.09605	0.2
174.12807	0.9
175.09802	0.1
175.11165	0.2
176.10632	0.2
179.06992	0.5
180.10167	0.4
181.07408	0.1
181.08638	1.0
182.11758	3.9
183.06520	0.5
183.12053	0.2
188.10707	0.3
188.14360	0.9
189.09085	0.4
190.12227	0.4
193.08647	0.2
198.12753	0.2
202.12270	0.3
203.10561	0.2
206.11804	0.4
206.15367	0.3
207.06540	0.2
208.13289	0.5
214.12181	0.2
216.13794	0.5
217.08531	0.4
218.11752	0.6
220.13257	0.5
221.08064	0.3
221.14122	0.5
231.10159	0.2
232.13437	0.6
233.14015	0.3
234.14879	38.7
235.15215	2.5
244.17004	0.1
246.14845	0.3
247.09688	1.8
249.11230	3.3
250.11644	0.2
256.09579	0.2
258.15018	0.2
260.16489	0.8
261.17047	0.3
262.18021	23.4
263.18320	1.8
266.11951	0.1
266.14853	0.1
270.14630	0.2
272.16525	0.2
274.14374	0.4
284.12897	0.3
286.14557	0.2
288.15903	0.3
290.17551	0.4
300.15979	0.2
302.13855	0.7
312.19470	0.3
314.14017	0.2
314.17374	0.2
317.15823	0.2
318.16998	4.4
319.17218	0.5
328.15482	0.2
340.19080	1.1
342.16864	0.6
358.16452	0.4
360.18127	1.0
388.21124	1.1
398.20029	0.2
401.18408	0.3
416.20657	100.0
417.20996	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	416.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01866	0.9
57.03419	0.3
58.45114	0.2
59.05003	0.3
67.05499	1.3
68.05049	0.3
69.03432	9.3
70.06584	0.3
71.04974	0.4
77.74584	0.2
79.05507	0.7
80.05019	5.6
81.07064	0.6
82.06595	0.5
83.01305	0.5
83.07375	0.4
83.26512	0.2
84.08142	0.6
91.05476	0.8
93.07059	0.6
93.35396	0.2
94.06572	3.6
95.04967	0.5
95.07336	0.7
95.08601	0.3
96.08130	0.6
99.04487	0.3
101.06042	0.3
105.07032	1.3
106.06561	0.4
107.04990	0.2
107.07332	0.3
107.08588	0.4
108.08136	1.1
109.06524	0.6
109.08897	0.3
110.09713	1.1
117.07047	0.4
119.04985	0.2
120.08117	0.6
121.06509	0.4
122.09666	9.4
123.08068	0.5
123.10459	0.4
125.05982	0.7
126.84994	0.2
127.03870	0.3
128.06253	0.5
131.08588	0.3
132.08145	0.6
133.06541	0.5
133.08884	0.3
133.10168	0.4
134.09647	2.7
135.04315	0.2
135.08095	0.4
136.07585	0.3
136.11259	0.6
137.05983	0.3
138.09096	1.1
141.05495	0.4
142.08658	0.3
143.08569	0.3
145.10196	0.3
146.09671	1.0
147.10440	0.3
148.07584	0.9
149.05988	0.6
149.30264	0.2
150.09143	9.4
151.07509	0.6
151.09425	0.3
152.10724	0.5
154.74417	0.2
155.03255	0.2
155.07024	0.4
158.09634	0.3
159.08080	0.3
160.07567	0.3
160.11284	0.6
161.05901	0.2
161.09673	0.5
162.09105	0.3
165.05441	0.7
167.07111	0.5
168.10211	6.0
171.08057	0.3
173.09673	0.4
180.10226	0.3
181.08624	1.4
182.11751	2.5
183.06551	0.8
188.08392	0.3
188.10666	0.4
189.09050	0.5
193.08783	0.3
200.10689	0.4
202.12146	0.3
203.06970	0.2
206.11797	0.8
207.06499	0.5
208.13315	3.1
217.08643	0.4
219.06438	0.3
231.10149	0.3
242.15520	0.4
247.09657	1.5
249.11232	5.9
249.13524	0.2
256.13275	0.3
260.16443	0.4
276.12833	0.2
284.12817	1.7
302.13809	1.2
302.17163	0.3
314.14008	0.3
314.17377	0.3
316.15359	0.3
328.15396	0.7
330.16788	0.3
340.15625	0.3
342.17017	0.7
358.16492	3.7
401.18497	1.0
416.20670	100.0
417.20993	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	416.2068
Annotation	Alpinine
Peak:m/z	Relative Intensity
55.01868	1.3
58.44862	0.3
67.05506	1.0
68.28603	0.3
69.03428	1.4
71.04988	0.4
79.05500	0.6
80.05006	0.4
81.07058	0.7
83.01338	0.4
83.04990	0.5
84.08131	0.5
91.05477	1.0
93.07053	0.6
94.06578	0.8
97.06509	0.7
99.04491	0.4
101.06010	0.3
105.07029	0.8
106.06575	0.5
107.04965	0.3
108.08158	0.6
109.06507	0.4
110.09697	1.0
117.07029	0.3
119.08607	0.4
120.08115	1.2
121.06477	0.7
122.09669	5.4
123.08035	0.5
123.95998	0.3
125.06017	1.4
129.06981	0.4
132.08089	0.9
134.09657	2.8
135.08092	0.3
135.10422	1.3
136.11241	0.8
137.05925	0.4
138.09140	1.0
143.08572	0.4
146.09660	1.5
146.60663	0.3
148.11230	2.6
149.05930	0.6
150.09128	1.1
150.12741	0.7
151.07474	0.4
152.10677	0.4
153.05460	0.5
160.11226	5.0
161.11906	0.4
162.12799	2.2
163.13544	1.4
165.05496	0.4
167.07077	0.7
180.10274	0.5
181.08592	0.4
182.11755	2.6
183.06570	0.5
188.14394	1.0
189.09117	0.4
190.12241	0.7
206.11751	0.5
207.06537	0.3
216.13911	0.7
228.86578	0.3
232.13388	0.7
234.14893	33.5
235.15224	1.7
246.14999	0.3
247.09753	1.2
249.11235	2.6
260.16513	1.0
262.06165	0.3
262.18021	19.0
263.18332	1.2
272.16592	0.4
274.14536	0.5
290.17545	0.5
302.13736	0.7
318.16992	3.6
334.55206	0.3
340.19150	1.2
342.17142	0.8
360.17841	0.6
388.21231	0.7
398.19568	0.6
401.18433	0.4
416.20682	100.0
417.21011	10.0
419.38086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01884	1.2
55.05505	0.3
63.19488	0.2
67.05499	1.7
67.31354	0.2
68.05029	0.2
69.03430	9.9
70.06598	0.2
79.05489	0.9
80.05022	5.3
81.07062	0.7
82.06595	0.8
83.01349	0.6
83.04988	0.3
83.07362	0.5
84.08151	0.4
91.05470	0.5
93.07047	0.5
94.06573	3.7
95.04982	0.4
95.07339	0.6
95.08636	0.3
96.08135	0.4
97.06553	0.2
98.06057	0.2
99.04470	0.5
100.51583	0.2
101.06026	0.2
105.07028	1.1
106.06525	0.4
107.07418	0.2
107.08572	0.2
108.08128	0.8
109.06532	0.7
109.08935	0.3
110.06008	0.2
110.09682	1.4
112.07616	0.4
117.06973	0.3
119.04951	0.3
120.08099	0.7
121.06503	0.4
122.09669	9.6
123.08060	0.5
123.10513	0.4
125.06007	0.7
125.09612	0.2
127.03931	0.6
128.06250	0.3
128.88824	0.2
132.08090	0.5
133.06505	0.3
134.09641	2.5
134.10567	0.2
135.08037	0.3
136.07561	0.3
136.11198	0.7
137.06024	0.3
138.09137	1.5
141.05457	0.2
142.08658	0.4
143.08580	0.4
145.10147	0.3
146.09650	0.9
147.08052	0.3
148.07581	0.7
149.05965	0.4
150.09146	11.6
151.03903	0.3
151.07545	0.4
151.09512	0.4
152.10696	0.3
155.03506	0.4
155.07071	0.4
159.08131	0.3
159.10385	0.2
160.11273	0.7
161.09605	0.6
163.07495	0.2
165.05521	0.5
165.09116	0.4
166.06200	0.2
167.07068	0.5
168.10204	7.5
169.10503	0.3
171.08058	0.5
172.08871	0.2
173.09714	0.3
174.12669	0.2
176.10738	0.2
179.07034	0.7
180.10217	0.7
181.08592	1.6
182.11774	2.6
183.06540	0.8
188.10719	0.2
189.09122	0.5
191.06912	0.3
200.10754	0.4
203.10741	0.3
206.11787	0.5
207.06558	0.3
208.13335	3.1
215.06976	0.2
216.07942	0.3
216.13858	0.3
217.08650	0.5
218.11856	0.2
224.10696	0.2
228.13788	0.2
230.11543	0.3
231.10292	0.5
232.13495	0.3
234.14874	0.5
237.16754	0.2
242.15523	0.4
247.09637	1.6
249.11227	6.9
249.13794	0.4
250.11560	0.6
260.16437	0.4
260.60818	0.2
262.17999	0.3
266.11807	0.3
282.11539	0.2
284.12869	1.3
285.13022	0.2
290.17523	0.2
299.10660	0.2
302.13934	1.4
305.92700	0.2
314.13846	0.4
314.17435	0.4
316.15421	0.3
328.15469	1.2
330.17065	0.3
336.73306	0.2
342.16974	1.1
358.16495	4.8
359.16760	0.3
398.20004	0.4
401.18192	1.1
416.20673	100.0
417.21024	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2068
Annotation	Haplotubine
Peak:m/z	Relative Intensity
55.05509	11.3
56.55726	1.1
57.07079	11.4
57.79612	1.0
69.38039	1.1
83.01344	6.0
87.08111	31.3
91.05556	1.2
96.28230	1.3
97.06597	1.3
119.08585	5.3
120.08868	3.6
130.06551	1.7
136.11165	1.4
137.05977	1.2
155.03458	1.4
158.09671	2.0
162.12767	4.9
163.09920	1.3
172.11098	1.8
174.12738	7.0
177.56303	1.2
181.08803	1.4
186.12776	1.5
190.12285	6.5
196.11215	3.2
199.09897	1.7
200.10599	2.7
206.11758	1.4
208.11194	1.6
210.09303	1.4
214.08583	1.6
216.13867	1.8
222.09132	1.7
224.10751	5.8
225.11440	4.2
226.12285	1.3
228.13824	4.5
234.09111	1.3
234.14958	2.0
236.10698	3.6
238.08501	1.7
238.12329	2.7
240.13837	2.1
241.10873	3.9
242.11740	1.8
244.13382	1.7
251.13052	2.3
252.10233	7.6
253.11043	7.6
254.11717	5.8
256.13345	16.7
258.14847	1.4
259.12024	1.6
266.11801	3.5
267.12509	2.8
268.13321	16.3
269.10468	3.0
269.13779	2.0
270.11160	2.6
272.16278	1.9
278.15488	1.5
280.09705	3.7
280.13879	1.2
280.16943	6.3
282.11133	1.4
284.12823	18.9
288.15918	3.4
289.16721	6.4
296.13013	2.9
296.16394	2.1
297.10229	1.9
302.17438	4.5
310.14426	4.3
310.18076	3.7
311.18802	1.7
312.12292	57.2
313.12622	4.4
324.12415	2.3
324.15930	2.2
327.14673	2.0
330.13419	1.7
338.17542	11.7
340.11835	4.4
340.19174	3.7
342.16910	4.6
342.20746	3.7
346.42987	1.4
355.13971	1.7
366.17001	32.0
367.17361	2.5
370.15375	2.1
370.20129	59.3
371.20511	5.2
384.18106	8.1
388.21155	5.3
398.19626	100.0
399.20059	8.4
416.20673	90.3
417.21082	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	416.2071
Annotation	Alpinine
Peak:m/z	Relative Intensity
55.01866	1.1
55.05501	0.7
56.05025	0.8
56.73446	0.6
57.95102	0.5
67.05506	1.4
69.03426	1.2
69.26485	2.9
70.06577	1.8
71.04984	0.7
72.08131	1.7
80.05002	1.2
81.07027	0.8
84.08128	2.0
85.02888	2.2
86.09703	5.5
93.07032	1.0
95.04931	1.0
95.08604	0.7
96.08139	0.8
98.22711	1.3
99.04423	2.5
103.36964	0.6
105.03378	0.9
105.07025	0.8
109.06508	0.6
110.07164	1.2
111.08068	0.8
120.08088	2.0
122.09660	0.6
125.05948	1.1
125.09596	1.1
127.03938	0.7
128.84528	0.6
129.10262	1.1
133.06502	2.0
134.09665	3.4
136.07481	0.8
136.11203	2.5
144.08130	1.1
145.04912	1.2
148.07590	0.7
148.11224	1.0
150.09152	0.9
153.09091	1.1
156.07666	1.4
158.09529	0.7
160.11192	0.8
162.12805	7.6
164.10699	2.1
168.10234	0.6
172.11200	1.9
174.12796	7.9
175.13501	2.0
176.10655	2.2
186.12735	1.6
188.10802	0.8
190.12296	7.7
200.10696	1.9
200.14270	1.2
201.11523	0.7
202.12202	1.2
204.08009	0.6
207.06569	0.6
214.12300	1.5
214.15829	0.7
216.13826	2.0
218.11771	1.0
234.14886	0.9
240.13719	0.7
242.15358	1.7
242.38977	0.6
248.16460	1.4
254.13797	3.5
256.13318	1.2
258.14868	1.0
260.16495	1.7
261.17029	0.8
270.14789	1.8
272.16479	2.7
273.02933	0.9
273.17102	2.0
274.14136	1.0
274.18008	1.6
282.14877	0.7
284.12772	1.0
286.14398	0.7
288.15921	6.1
289.16647	8.4
290.17261	0.9
297.88092	0.6
300.15979	1.7
302.13937	0.9
310.14508	0.8
328.15479	0.8
334.18161	1.8
340.19046	1.6
342.17004	5.6
352.19327	3.0
354.22595	0.7
370.19781	1.5
388.21057	3.7
398.19528	9.7
399.20117	0.7
416.20630	100.0
417.21017	7.4
420.55637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15676	0.7
53.03952	1.7
55.01638	0.6
55.01867	3.5
57.03435	4.9
59.99871	0.7
61.02928	9.5
69.03429	14.9
69.68041	1.1
70.06590	1.3
71.01373	0.7
71.05016	3.1
72.08151	1.5
73.02921	3.4
76.81159	0.6
79.05507	0.9
80.05025	1.1
81.03413	5.9
81.07064	0.9
82.06575	0.8
83.01337	1.4
84.08138	2.2
85.02906	100.0
86.03226	1.3
86.09708	1.8
87.04470	2.7
91.03961	5.2
95.04960	3.1
96.08111	0.9
97.02898	22.9
98.97594	1.5
99.04436	5.4
101.02389	0.9
102.05009	0.8
105.07050	0.6
107.08599	0.8
109.02874	7.9
109.06527	1.4
115.03946	2.1
120.08127	0.9
122.06030	4.1
125.06018	0.7
127.03917	25.3
129.10208	1.3
129.62733	0.7
132.08073	0.8
134.09647	1.6
136.11211	1.7
138.09157	1.2
140.07062	10.4
142.12245	1.0
144.08075	0.9
145.04964	51.5
146.05234	0.8
148.07579	0.8
148.11159	0.9
148.88493	0.7
150.09230	0.8
160.11243	0.8
162.09143	0.8
162.12814	5.0
163.06023	24.2
164.06468	0.7
164.10666	1.2
168.10297	0.8
172.11194	0.9
174.12781	5.1
175.13486	1.4
176.10716	1.2
184.11232	1.0
186.12749	1.5
190.12268	5.6
202.12183	0.8
214.12268	0.9
232.13322	0.8
237.13347	2.7
240.13882	0.7
251.26199	0.8
254.13873	1.8
260.16409	1.4
270.14883	1.1
272.16309	0.9
273.17307	1.4
274.14444	0.9
274.18042	1.1
282.15094	1.1
284.13004	0.8
288.15964	4.3
289.16718	5.8
294.15369	1.0
325.11188	1.3
334.18289	4.1
342.16885	5.5
352.19284	7.3
357.08221	1.4
370.20279	1.4
388.21024	2.2
398.19635	11.8
399.20135	1.3
416.15680	2.9
416.20679	57.4
417.13464	3.3
417.21182	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	416.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01873	2.8
57.03444	4.7
59.83167	0.8
61.02928	7.8
65.21075	0.8
67.05511	0.9
69.03434	14.2
69.67455	3.2
70.06588	1.2
71.05002	3.3
73.02911	2.9
73.84299	0.9
79.05501	1.4
80.05025	1.4
81.03410	5.5
81.07071	1.7
85.02906	100.0
86.03213	1.2
86.09698	1.0
87.04475	1.8
91.03963	4.5
94.06572	1.3
95.04994	4.4
97.02898	22.0
99.04465	5.1
101.02363	1.2
103.03925	1.5
104.76231	0.9
109.02875	7.9
109.06508	1.8
111.08076	1.3
115.03942	1.7
116.67181	1.1
120.08131	0.9
122.09612	1.1
125.15210	0.9
127.03919	26.6
129.10245	1.6
132.08128	0.9
134.09654	3.3
136.11212	2.8
138.09053	0.9
140.07062	2.9
142.12334	1.2
145.04964	56.4
148.07602	1.0
151.07513	0.9
158.09711	1.2
160.11206	1.6
162.12756	6.0
163.06018	29.0
164.10739	1.8
168.10165	1.2
172.11197	1.5
174.12788	8.6
175.13556	1.4
176.10733	2.0
186.12828	2.0
190.12247	7.6
191.13020	1.2
200.10808	2.2
200.14375	1.3
202.12402	1.5
214.12280	2.3
216.13911	1.7
232.13210	1.2
237.13358	3.5
242.15388	1.6
243.18204	1.1
260.16418	2.5
270.14777	1.8
272.16473	2.4
273.17154	2.3
274.14145	1.2
282.15002	1.3
284.12781	1.3
288.15936	6.4
289.16684	9.7
290.17209	1.7
302.14038	1.6
310.14432	1.7
310.17975	1.1
325.11176	1.4
334.18210	6.5
340.19122	1.5
342.17053	6.8
352.19250	12.9
370.20346	1.6
388.21063	4.7
398.19748	21.6
399.19946	1.4
416.20697	91.1
417.13168	2.1
417.21405	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	416.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01860	2.5
57.03429	4.9
61.02931	9.1
69.03432	15.4
69.41497	3.8
71.04987	2.0
73.02921	4.4
81.03417	5.9
85.02908	100.0
85.33409	0.8
87.04461	2.0
91.03954	5.6
95.04976	1.8
97.02897	21.9
99.04458	5.2
103.03928	0.9
109.02884	5.9
114.05016	0.8
114.35183	0.8
115.03918	0.8
127.03916	25.6
145.04964	53.3
163.06023	31.4
164.06442	1.1
174.12798	1.5
190.12311	1.7
237.13327	3.0
261.82877	1.0
288.15857	1.5
289.16568	2.0
325.11093	1.3
334.18112	2.3
342.16806	1.8
352.19287	2.4
388.21042	1.2
398.19601	5.2
416.20721	20.4
417.13260	1.9
417.20862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19291	0.8
53.03950	1.8
53.82169	0.8
55.01876	2.2
57.03434	4.3
59.04999	1.0
61.02926	8.0
66.35973	0.7
69.03429	15.7
69.63433	2.3
69.63829	1.8
71.05006	2.8
72.08139	1.4
73.02917	4.3
80.05029	6.3
81.03426	4.5
82.06561	0.9
85.02905	100.0
86.09701	2.1
87.04487	2.5
91.03942	7.1
93.07039	1.2
95.04974	2.8
97.02895	19.1
98.06068	1.7
99.04466	3.9
109.02873	6.7
115.03937	1.3
115.82005	0.8
123.04506	1.1
127.03920	23.9
136.11258	1.2
138.09129	4.2
140.07085	1.9
145.04965	53.0
146.05275	1.1
156.10178	2.5
162.09163	3.0
163.06023	30.9
164.10754	1.2
166.08585	1.4
174.12785	1.3
184.09671	7.3
190.12305	1.7
202.10762	5.8
236.12819	5.0
237.13303	2.3
254.13850	8.8
288.15878	2.1
289.16739	2.1
321.56860	0.9
325.11279	1.4
380.20584	1.3
388.21420	1.0
398.20840	1.5
416.21884	23.4
417.13565	1.7
417.22354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
55.05506	2.2
57.03426	2.3
57.07077	2.0
60.04523	3.5
67.05514	4.6
69.03447	1.3
69.07075	8.4
70.59503	1.6
71.04993	1.5
79.05502	8.1
80.34492	0.7
81.07056	3.4
83.04988	1.1
83.08629	1.3
85.06541	2.1
91.05489	1.5
93.07049	1.4
95.04967	2.0
95.08611	3.0
97.06536	82.0
98.06884	1.6
99.04479	1.7
105.07071	1.9
109.06538	2.1
109.10173	1.4
116.10728	1.0
117.07057	0.8
119.08577	11.1
120.08176	0.9
120.08948	3.3
121.10129	0.8
122.09666	1.0
123.04463	2.3
125.06023	1.3
129.06967	1.3
131.08665	1.4
134.09695	2.6
135.99928	0.8
136.11250	1.8
141.93356	0.8
143.08556	1.9
143.10713	1.0
145.06531	1.4
145.10083	0.9
145.61487	0.8
148.11200	1.1
149.05977	0.9
150.09184	1.0
151.07559	1.9
153.07043	1.0
155.08536	1.1
157.10118	1.0
159.08046	1.9
160.11160	0.9
161.05952	2.0
162.12796	6.5
164.10699	1.0
171.08066	1.9
172.11177	1.3
173.05957	2.1
173.09712	1.2
174.12793	7.2
175.07639	2.0
175.13533	1.3
176.10599	1.0
183.08054	1.5
185.06021	1.2
185.09624	1.2
186.06747	1.1
186.12798	1.4
187.07542	2.1
187.11166	1.0
188.08308	1.1
189.09152	3.4
190.12311	7.5
191.12778	0.9
195.08031	1.3
197.09650	2.0
198.10391	1.4
199.07567	3.6
199.11035	1.3
200.10684	1.8
201.09155	4.9
201.14825	1.0
202.12286	1.8
203.10698	1.3
205.08502	1.2
209.09619	2.2
210.10361	1.0
211.11154	2.4
212.14247	1.0
213.09116	2.5
213.12685	1.0
215.07138	2.1
215.10687	7.1
217.08664	1.1
219.10205	2.9
223.07706	1.0
223.11244	2.0
225.09067	2.0
225.12805	1.4
226.10072	0.9
227.10675	2.9
229.08514	1.1
229.12296	2.2
234.14960	2.7
237.12755	2.4
238.09862	0.9
239.10725	1.2
241.12253	7.5
243.13896	2.3
247.13361	3.2
251.10757	2.0
251.14328	1.3
253.12082	1.5
253.16022	1.2
255.13835	2.9
257.11630	1.5
257.15427	3.2
258.14969	1.4
259.13406	2.1
262.18018	1.8
263.14493	1.2
267.13632	3.9
269.11755	1.8
270.14795	1.4
271.13373	5.0
272.16473	1.9
273.17392	1.9
279.13855	1.4
281.15436	1.1
283.13394	1.6
284.13129	1.8
285.14832	4.0
288.15994	5.7
289.16681	8.2
293.15338	1.5
295.13184	1.7
297.14926	2.9
299.16562	1.3
301.14383	3.2
307.17068	2.7
309.18524	2.5
311.16415	3.4
315.15952	9.7
316.16357	1.1
318.16763	1.0
319.17267	1.1
325.17960	1.6
337.18054	8.7
340.18820	0.9
342.17072	5.5
351.19647	1.1
353.21088	9.5
354.33743	1.5
355.19025	6.2
363.19528	3.0
372.34711	1.0
381.20587	12.6
382.20654	1.4
388.21216	3.7
398.19553	6.9
398.36072	4.1
399.21692	1.8
416.20700	100.0
417.21152	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	416.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02885	0.3
58.99885	0.4
60.05637	0.5
62.12307	0.3
69.07072	0.7
69.33245	1.0
69.33656	0.9
70.06604	2.0
72.08145	0.6
77.00908	1.0
84.04498	0.6
84.08148	1.0
86.09706	30.9
87.09985	0.4
108.05417	0.4
112.02467	0.4
115.08709	0.4
116.07041	0.4
118.83979	0.3
122.99860	0.4
124.06100	0.8
126.07670	0.7
130.03505	0.4
131.01904	0.6
132.10205	1.1
142.07141	4.7
144.08690	4.6
152.05661	0.5
153.19679	0.4
154.07117	3.1
155.05655	0.4
160.08200	5.4
162.09760	3.6
163.03912	0.7
168.31725	0.4
172.08188	23.0
173.06580	1.7
173.08333	1.1
174.09793	1.4
175.11894	0.8
183.39650	0.4
189.10864	1.1
190.09265	3.5
191.07622	2.0
207.11975	1.0
208.10181	2.0
209.14886	0.4
213.27528	0.4
221.15038	0.5
227.16069	0.4
228.09984	0.4
237.14557	0.7
239.16057	3.2
240.14420	2.7
241.17763	0.5
242.16031	0.6
255.15527	1.1
257.17084	5.9
258.12097	0.4
258.15497	1.5
267.15469	3.5
268.13895	1.0
273.16660	1.8
275.18146	7.7
276.18246	0.6
285.16583	26.4
286.11389	1.6
286.14474	0.6
286.16946	1.3
303.17633	100.0
304.12439	0.8
304.17847	7.9
320.12332	0.7
321.18674	7.2
322.18802	0.6
326.19199	1.8
342.17130	0.5
415.99426	0.6
416.10791	1.3
416.20569	4.1
416.26108	3.5
417.20355	0.6
417.25336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
57.07076	0.5
57.50374	0.3
59.94099	0.3
67.05502	1.9
69.03412	0.6
69.07066	0.7
70.73584	0.6
71.08631	0.6
79.05486	1.2
81.07056	0.6
82.44434	0.2
83.01308	0.3
83.04953	0.6
83.08617	0.4
83.15076	0.2
83.45142	0.2
85.10152	0.4
91.05437	0.3
93.07038	0.7
94.07846	0.4
95.04966	0.5
95.08608	3.8
97.10162	0.6
99.04452	0.6
105.07020	1.0
107.04946	2.6
108.05759	0.3
109.06539	0.4
111.04438	1.0
119.08590	1.6
120.08894	0.7
121.06521	0.7
122.07287	5.7
123.08064	7.2
124.08884	0.7
134.09628	0.7
135.08057	2.9
136.11168	0.4
137.05974	1.5
138.06775	1.6
145.10201	0.5
149.09592	0.4
150.06761	20.1
151.07541	100.0
152.08295	7.8
158.07213	0.4
162.12796	1.7
163.07516	1.5
163.11179	1.2
164.08353	3.2
165.09071	0.5
173.09656	0.5
174.12807	1.6
175.13501	0.3
176.08359	0.4
177.09125	2.7
178.09511	0.6
186.12753	0.4
190.12227	2.2
191.10670	16.8
192.11018	1.4
193.70088	0.3
205.12207	1.2
206.12810	0.4
207.06433	0.3
270.15146	0.4
272.16333	0.5
273.17212	0.9
274.14517	0.3
274.18018	0.4
278.14954	0.3
284.12857	0.3
288.15915	1.6
289.16760	3.6
342.17010	1.9
388.21259	1.8
398.19522	1.9
416.20718	19.9
416.36462	40.3
417.20987	2.8
417.36755	3.7
418.34702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12441	0.4
55.01844	0.6
55.05505	1.1
57.07065	1.1
66.99100	0.4
67.05502	2.7
69.03417	0.6
69.07050	1.2
69.45689	0.4
71.06757	0.6
79.05469	1.3
81.07039	1.2
85.10189	0.6
91.05496	0.7
93.07070	0.7
94.07828	0.6
95.08608	6.1
98.55994	0.4
99.04427	0.6
105.04568	0.4
105.07021	1.9
107.04963	4.5
109.06512	0.5
111.04431	1.0
119.08572	1.7
120.08928	0.9
121.06512	1.5
122.07296	7.7
123.08074	11.4
131.08533	0.6
134.09653	1.1
135.08072	3.4
137.05980	2.1
138.06744	1.4
145.10138	1.3
148.11246	0.5
149.09596	0.6
150.06763	16.3
151.07544	100.0
152.08197	7.7
159.08037	0.4
162.12761	2.2
163.07510	1.2
163.11189	1.6
164.08391	2.9
173.09653	1.0
174.12779	2.5
175.13602	0.6
176.08316	1.4
177.09106	2.5
178.09521	0.5
184.11069	0.4
186.12738	0.5
190.12341	2.8
191.10675	15.2
192.10991	0.7
200.10806	0.6
202.12288	0.6
205.12334	1.6
206.12645	0.6
216.13982	0.5
242.15384	0.6
260.16422	0.4
272.16422	0.8
273.17188	0.7
288.15942	2.5
289.16727	3.6
315.38181	0.4
317.16690	0.6
342.17108	1.8
373.31296	0.5
388.21259	1.8
398.19623	2.2
416.20737	28.8
416.36481	54.7
417.20859	3.0
417.36819	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	416.9872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98629	0.5
56.96566	7.3
69.82320	0.6
69.82673	1.8
71.95248	0.7
78.43683	0.5
95.20417	0.5
97.06524	0.8
98.22704	0.7
98.97584	78.9
99.04457	0.9
99.97932	1.1
100.41876	0.5
100.97157	0.9
111.21490	0.6
116.98623	35.2
125.91222	0.5
130.93288	0.7
134.99651	9.2
136.11185	0.6
153.00684	0.9
154.93466	0.7
162.12784	1.9
172.94357	3.3
174.12721	2.5
175.13608	0.6
177.00980	0.5
190.12244	1.2
190.95432	2.2
208.96458	1.0
210.89020	0.6
214.93581	0.7
214.95354	3.4
216.13835	0.8
217.94940	0.6
228.89900	0.5
232.96477	5.4
234.99947	1.1
240.98872	0.7
250.97537	1.7
256.96420	16.4
258.97031	0.9
258.99780	7.4
260.00131	1.7
261.00067	2.7
261.03000	2.8
262.03180	0.9
263.03009	1.1
266.98868	0.6
270.94186	0.5
272.16214	1.0
274.97504	100.0
275.97852	3.3
276.97607	3.9
277.00879	7.8
278.01041	1.0
279.00897	0.9
279.93018	0.5
283.00037	3.4
284.00159	1.5
284.99750	2.3
288.15881	1.4
288.92072	1.0
289.16718	2.4
290.17218	0.8
292.98557	47.9
293.98877	1.6
294.98557	3.1
297.99081	1.9
298.97662	1.1
300.97562	1.7
301.01019	5.3
302.01215	1.6
303.00806	2.0
316.98865	1.7
318.98676	1.9
331.99454	0.8
342.17059	1.0
372.51694	0.6
375.01218	1.8
388.21140	0.7
398.19647	1.8
398.97586	6.6
399.19977	0.6
399.97824	0.7
403.01700	0.5
416.20676	22.3
416.98831	13.8
417.20999	8.5
418.22153	1.1
425.00894	0.8
427.01160	0.7
434.95013	0.7
434.99854	1.8
443.02026	1.6
444.02164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
65.03927	4.5
67.05497	3.8
69.03422	4.2
69.46724	3.3
69.60414	0.8
70.06599	2.7
71.04539	1.0
75.10124	0.8
78.04714	2.5
79.05495	7.2
80.05016	2.0
81.03440	0.9
81.07050	4.1
82.04221	1.5
84.11304	0.8
85.02898	5.4
89.35244	0.8
89.43903	0.8
90.87036	0.9
91.05479	5.2
93.03397	2.1
93.07059	6.2
95.04984	4.7
95.08592	3.2
96.95276	0.9
97.06531	3.5
98.23435	1.6
99.04459	1.2
102.04670	1.2
103.05466	16.1
105.01859	2.1
105.07034	6.8
106.07359	2.0
107.04951	6.6
107.08609	4.1
109.06534	1.3
109.10186	1.6
110.03660	3.0
110.09692	0.9
111.04439	1.0
111.08017	1.4
112.52703	0.9
115.05460	4.6
117.07015	6.8
118.04176	3.1
119.08625	2.1
120.05769	1.0
121.06526	2.0
122.03566	0.9
122.09682	3.1
123.04440	6.6
124.05206	1.3
125.05987	2.6
127.03949	3.2
127.05431	1.4
128.06252	0.9
129.07021	1.5
130.04123	1.3
131.04918	11.9
131.08531	1.5
132.05710	1.1
133.02855	1.6
133.06480	2.7
133.10118	18.9
134.09621	1.7
134.10478	19.4
135.08011	2.0
135.11699	3.6
136.11220	2.3
137.05960	3.0
138.03108	1.5
143.08595	1.5
145.06483	7.0
145.10112	0.9
147.08008	1.7
148.05205	8.8
149.05904	1.0
150.09149	2.1
151.03865	2.2
152.04666	2.7
153.05434	2.7
155.04945	1.3
155.06062	4.0
159.08080	1.6
160.11229	1.5
161.05974	2.0
162.12779	1.8
163.07536	14.1
164.07053	1.2
165.05484	1.2
167.07039	100.0
168.07416	2.3
168.10132	1.4
171.06516	3.7
173.05977	13.6
174.12848	1.8
175.07603	2.0
176.04689	1.5
176.10689	1.3
179.07036	1.7
181.04951	67.9
182.05336	2.2
182.11829	2.1
185.09752	0.9
187.07582	1.6
188.14362	1.1
190.12224	2.1
191.07030	54.3
191.12607	1.2
192.07431	1.8
193.08568	2.0
195.06525	2.4
201.05444	1.2
205.08527	4.3
207.10112	1.3
209.08183	2.1
217.08685	1.3
219.10208	3.3
230.11728	1.7
231.12115	1.6
233.08107	8.6
234.14813	1.3
235.09618	4.9
235.15057	1.2
236.16510	1.7
246.14874	3.2
247.09711	3.1
249.11253	1.2
263.09161	3.4
274.17621	1.2
278.13821	1.0
285.13138	1.1
288.15799	1.0
289.16415	2.7
290.17023	1.7
307.09790	1.5
313.03406	1.8
316.15350	0.9
320.18710	5.9
325.10440	1.8
330.16492	1.7
341.19058	2.1
343.17358	2.6
344.18478	3.5
355.08337	1.3
385.12854	3.0
387.14307	14.2
388.15488	0.9
388.21152	3.4
389.21683	1.3
399.10416	4.8
399.19815	2.1
400.17728	4.6
416.20648	2.3
417.15381	30.3
417.20984	55.0
418.22446	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
58.06607	3.7
60.28074	0.3
62.06091	0.3
69.03416	0.3
70.06598	2.8
70.16312	0.3
71.34666	0.3
72.08150	1.3
79.05489	0.4
81.07070	0.4
84.04519	0.7
84.08142	100.0
85.08479	1.8
86.09714	2.1
87.10046	0.4
91.05428	0.3
95.04965	0.3
105.06950	0.4
116.07117	0.4
117.07043	0.4
119.04943	0.4
121.06490	0.3
123.04422	3.9
127.12315	48.4
128.12654	1.3
129.10278	1.6
129.76157	0.3
130.04982	0.4
134.09703	0.3
135.04428	0.8
135.08058	0.3
143.11871	0.4
147.04408	1.5
147.07742	0.5
151.03929	2.1
163.03925	0.7
163.07545	1.2
165.05441	0.7
168.57446	0.3
173.05959	0.6
174.89227	0.3
179.07071	0.3
182.09187	0.3
184.13716	0.3
190.97292	0.3
191.07022	5.0
193.08623	1.2
197.49174	0.3
211.52232	0.3
217.11830	0.4
222.11237	2.3
265.15573	0.7
287.06741	0.3
289.16653	0.3
317.19043	0.3
417.13535	1.1
417.20343	11.4
417.26477	1.5
418.21649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14108	0.2
55.05508	0.8
56.05038	0.4
58.06599	3.1
68.42136	0.2
68.99795	0.2
69.03444	0.3
70.06593	1.6
72.08157	3.4
79.05519	0.2
81.07058	0.3
84.08146	100.0
85.08469	2.1
86.09708	0.9
91.05495	0.4
93.07011	0.2
95.04967	0.7
95.05569	0.2
100.02161	0.2
105.07051	0.3
109.02908	0.3
109.06487	0.6
117.07016	0.3
117.42957	0.2
119.04945	0.4
120.01156	0.4
121.06508	0.6
121.23823	0.2
123.04427	4.2
124.11259	0.2
127.12319	47.4
128.12674	1.3
129.10262	0.2
133.06517	0.3
135.04387	0.3
137.05978	0.4
139.03918	0.3
142.12268	0.7
143.11804	0.8
145.06543	0.4
147.04420	1.3
148.06111	0.2
149.05966	0.4
151.03896	2.7
161.06029	0.3
163.07593	1.6
165.05463	0.7
171.11276	0.5
173.05988	0.6
175.07512	0.3
179.07002	0.5
182.15491	0.2
191.07039	6.2
192.07368	0.4
193.08598	1.9
203.06960	0.3
222.11250	2.7
236.12766	0.3
247.12886	0.8
260.16446	0.5
261.16943	0.2
265.15503	0.3
303.16953	0.5
327.16794	0.2
329.18497	0.5
399.26175	0.2
401.17044	0.6
407.59760	0.2
417.14371	0.4
417.20151	7.3
417.26166	1.3
418.19998	2.4
418.25385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.05030	0.3
58.06603	3.2
67.05512	0.3
68.33869	0.2
69.07073	0.9
70.06606	1.6
70.06930	0.3
72.08155	14.9
73.08482	0.4
79.05496	0.4
80.05032	0.3
81.07038	0.3
83.08258	0.2
84.04501	0.6
84.08142	100.0
85.08467	1.5
86.09702	17.6
91.05477	0.3
93.07015	0.3
95.04964	0.4
95.08626	0.2
97.53194	0.2
98.97595	0.4
102.05521	0.5
104.54133	0.2
105.03342	0.2
107.04904	0.3
116.38959	0.2
117.07056	0.2
119.04935	0.3
121.02806	0.2
121.06519	0.5
123.04430	3.8
127.12315	44.7
128.12701	1.2
129.10229	1.1
135.04431	0.3
135.08041	0.5
137.05992	0.3
143.11816	2.2
147.04378	1.2
148.06047	0.8
149.05998	0.5
151.03905	1.5
156.07642	0.3
157.09604	0.3
158.92816	0.3
163.07613	1.3
165.05598	0.5
169.04999	0.3
171.11269	1.6
173.05960	0.4
179.07050	0.5
184.09706	0.4
185.16498	3.0
187.10805	0.4
191.07040	5.3
193.08566	1.2
203.07031	0.3
205.11844	2.3
213.15964	3.2
222.11211	1.8
225.15930	0.3
234.08116	0.2
236.12813	0.4
247.12885	2.1
248.12917	0.2
261.14465	0.6
265.15485	0.5
270.18112	0.5
284.19711	0.3
312.22766	0.3
325.10675	0.3
417.13687	1.6
417.20206	4.9
418.20425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2054
Annotation	Sinensol C
Peak:m/z	Relative Intensity
55.05503	1.7
55.61418	0.7
57.03411	0.9
58.99567	2.0
67.05489	1.3
68.05029	1.8
69.03428	5.2
69.51305	2.5
70.06584	1.7
71.04979	1.2
71.08617	2.4
72.08141	2.1
73.01132	1.9
74.00670	11.2
76.02229	1.0
79.05499	6.1
80.05035	1.1
81.03422	14.7
81.07059	27.3
85.01148	0.9
85.02908	3.9
86.06065	2.2
86.09692	0.9
87.04461	1.2
88.02200	1.6
88.03989	3.2
91.05467	1.0
92.01680	1.2
93.07044	0.9
95.04975	1.2
96.08947	0.7
97.02895	0.9
98.97605	1.5
99.04428	0.7
99.08068	1.8
100.02209	16.2
105.07047	1.0
108.08102	1.3
109.06522	68.5
110.06844	1.2
113.04224	1.5
114.12782	2.7
115.03901	1.0
116.98644	1.1
118.03281	0.9
120.00330	1.3
120.01172	26.2
120.57310	0.7
122.02730	3.3
122.09630	1.2
124.11229	13.9
125.05980	0.8
127.03906	2.0
127.07538	3.0
130.06551	0.8
136.11208	0.6
137.05995	8.4
137.11652	0.7
138.03732	1.4
139.05745	0.8
141.03677	2.3
142.12273	47.6
143.12619	1.4
144.08038	1.1
145.03180	1.9
145.04984	0.8
146.02713	18.0
151.07484	1.2
155.07028	21.1
158.09654	0.9
169.03159	1.7
175.13162	0.9
179.10620	1.1
182.15416	4.7
184.04260	2.6
186.12785	2.8
187.13492	0.7
190.12163	0.9
191.12700	1.0
212.07335	3.4
213.05721	1.0
214.16003	1.7
218.11786	1.1
230.08359	1.2
236.12842	8.5
237.16731	2.0
240.07140	1.0
242.15379	3.0
254.17337	0.9
255.17842	2.1
258.07956	2.9
259.06335	4.5
259.08768	0.8
260.16464	70.3
261.16840	5.1
276.09030	6.3
278.17462	5.7
289.16302	2.0
290.17007	2.0
296.18542	2.2
303.10632	0.9
310.14746	2.9
315.70697	0.7
343.17554	1.3
348.21698	1.0
353.19568	1.4
381.18420	2.9
399.19647	9.0
417.14011	5.5
417.20554	100.0
418.13467	1.3
418.21704	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	417.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01875	1.2
55.05513	10.3
57.03436	6.9
57.07079	5.9
57.44191	0.5
65.03937	2.1
67.05506	51.3
69.07068	11.7
69.77585	1.2
70.06546	0.6
71.04993	1.1
71.08635	2.6
77.03925	1.0
77.53288	0.5
79.05493	16.4
81.03410	1.4
81.07058	63.8
82.07396	1.5
83.04980	1.0
83.08618	9.4
84.31553	0.5
85.06544	2.4
85.10188	1.0
91.05486	10.5
93.07043	16.5
93.07606	1.2
95.04977	3.5
95.08609	52.4
96.08908	0.7
97.06540	4.5
97.10181	4.6
98.98469	80.4
99.08087	2.3
105.07030	8.7
107.08587	10.2
109.06528	1.0
109.10155	25.0
111.08099	3.0
111.08732	0.5
111.11720	0.9
113.09657	1.3
116.99511	1.4
119.08579	8.8
120.08898	0.5
121.09278	0.7
121.10143	11.8
122.09669	0.8
123.08036	1.1
123.11708	9.6
123.12522	0.8
124.12034	0.6
125.09644	1.1
127.11220	0.9
131.08495	0.5
131.26982	0.6
133.10127	9.0
135.11699	6.2
137.09618	2.2
137.13258	6.3
141.12724	0.8
147.11713	6.4
149.13277	6.2
151.11180	1.1
151.14825	8.3
155.01042	100.0
155.14322	0.7
156.01450	0.6
157.15746	0.6
161.13248	6.0
163.14790	4.8
165.12744	0.8
165.16429	3.2
167.14339	1.0
173.02092	0.7
174.12852	0.7
175.14816	5.3
176.61519	0.6
177.16418	1.5
179.14352	0.7
179.17963	1.1
181.15929	0.6
189.16382	2.7
203.17906	1.1
207.17422	1.0
236.16217	0.9
245.22656	24.5
246.22903	1.3
263.23712	45.6
264.24081	2.9
289.16220	0.8
290.17126	0.9
320.18552	1.1
344.18454	1.1
379.80850	0.6
399.19711	0.7
417.15988	1.2
417.20981	12.8
418.22253	15.3
418.84372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01853	1.6
55.05512	7.9
57.03432	5.9
57.07076	5.1
62.62300	0.7
65.03938	2.1
67.05504	50.2
68.05822	0.8
69.03440	1.1
69.07068	10.0
70.06577	2.3
70.87047	1.2
71.04992	0.9
71.08611	2.7
77.03929	1.0
79.05043	1.0
79.05491	15.9
80.05001	1.0
81.03403	1.3
81.07056	60.8
82.07410	0.9
83.04974	1.1
83.08620	9.3
84.08150	1.4
85.06521	1.3
85.10187	1.5
86.89493	0.6
91.05485	10.1
93.07048	16.5
95.04951	2.7
95.08604	52.6
96.08920	1.3
97.06505	3.7
97.10148	3.7
98.22699	0.6
98.98466	74.9
99.08085	2.3
105.04504	0.8
105.07021	7.7
106.80854	0.7
107.08593	9.4
109.06516	0.9
109.10159	24.9
111.08054	4.1
111.11724	0.8
112.43089	0.7
113.09632	1.7
116.99493	1.3
117.06997	0.7
119.08575	9.2
120.08872	0.8
121.10144	11.2
123.08059	1.5
123.10878	1.2
123.11702	11.7
125.09645	1.2
127.11212	1.0
133.10129	9.2
135.11684	7.9
136.99927	0.7
137.09599	1.9
137.13248	7.7
137.80814	0.7
139.11159	1.7
140.01070	0.7
141.12720	1.0
147.11667	6.9
149.12308	0.7
149.13298	5.3
150.09090	0.7
151.02945	0.7
151.14821	7.1
153.12686	0.8
155.01035	100.0
156.01337	0.8
161.13266	5.8
162.12836	1.0
163.13368	1.1
163.14804	6.4
165.16382	5.1
171.10162	0.7
173.02034	0.7
175.13385	1.1
175.14764	4.6
177.16365	1.7
179.14301	1.1
182.11688	0.9
184.13293	1.0
189.16376	2.9
191.12596	1.1
193.15813	1.4
196.03717	1.3
203.12503	0.7
207.17514	0.7
236.16360	1.0
245.22650	20.9
246.14836	1.2
249.64449	0.7
263.23703	47.0
264.23999	2.3
289.16336	1.3
290.17004	1.7
318.17017	1.1
320.18497	3.0
343.17258	1.2
344.18750	3.4
389.21518	1.7
395.28131	0.8
399.19986	1.6
417.21002	26.5
418.22235	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	417.2418
Annotation	CHEBI:78165
Peak:m/z	Relative Intensity
55.01875	2.3
55.05513	1.8
56.05035	1.8
58.06606	1.4
58.99601	0.4
63.40131	0.4
64.40518	0.4
67.05502	2.3
69.03445	0.7
69.07068	8.2
69.69234	1.4
70.06590	2.1
72.08145	0.5
73.01140	0.9
78.99841	0.4
79.05503	1.2
79.16169	0.4
80.05017	3.5
81.07059	1.7
82.06570	0.7
83.04984	0.5
84.08153	1.5
86.09719	1.2
91.05530	0.5
93.07047	1.4
94.06562	2.9
95.08617	1.5
96.08142	2.0
97.06536	0.6
98.09711	0.8
98.23531	0.4
99.02684	0.6
101.04244	0.5
105.07036	0.6
107.08604	1.1
109.10146	1.7
110.09692	1.0
116.05374	0.6
119.08651	0.6
121.10168	0.8
122.09660	6.3
124.11272	0.9
125.05988	3.6
134.09624	0.6
136.11240	1.8
137.11961	0.5
138.12842	1.4
145.03207	1.0
148.11273	0.4
150.09140	8.6
150.12796	1.1
151.13538	0.5
152.10689	0.5
152.14317	0.5
162.12827	0.9
164.14383	1.3
166.15910	4.4
168.10220	4.8
176.14383	0.4
178.15948	1.2
180.17433	4.1
182.11787	2.0
184.13524	0.6
186.11290	0.5
187.61069	0.4
190.16068	0.5
192.17458	0.9
200.12848	1.4
202.95171	0.4
204.17467	2.5
206.19073	1.3
223.87181	0.4
224.19487	0.5
226.05212	0.4
226.16296	0.6
232.20717	0.4
236.16464	0.8
238.16237	2.5
260.20175	0.7
276.19717	0.7
278.21182	11.6
278.24149	0.8
279.21689	0.7
294.20563	0.9
296.22208	32.0
297.22641	1.6
310.18414	1.4
312.19940	7.2
328.19391	2.1
330.20966	8.0
331.21216	0.5
338.21616	0.6
354.21140	1.2
356.22647	1.6
372.22015	4.2
399.23132	8.1
417.24213	100.0
418.24725	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	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
58.06599	39.2
59.06928	0.5
67.05504	0.5
68.04536	0.3
68.50879	0.3
69.03409	0.4
70.19550	0.6
70.19852	0.4
79.05479	0.5
85.85598	0.3
86.06066	1.7
86.09708	2.3
91.05482	1.4
93.07020	0.7
93.08241	0.3
95.08583	0.5
97.07654	0.5
97.36323	0.3
98.09710	0.6
100.23415	0.4
103.05461	0.6
104.07117	0.4
105.07021	2.8
107.04957	0.4
109.10174	0.4
113.07127	2.0
114.05567	0.5
115.08688	29.6
116.09039	0.6
117.06941	0.4
118.06570	0.8
119.07310	5.3
121.10145	0.3
122.09644	0.4
125.07157	0.4
131.04913	1.4
132.08046	0.4
134.09650	100.0
135.09953	2.5
139.07413	0.5
141.89369	0.3
143.08151	39.7
150.09146	0.4
152.10760	0.3
158.09584	0.4
161.02379	0.7
162.09122	2.3
162.12820	0.6
167.06973	2.4
169.84779	0.3
171.14905	1.9
175.13190	0.4
180.07480	0.3
180.10170	2.1
181.04964	0.5
190.08597	1.1
191.11707	2.3
192.47263	0.3
199.10754	0.4
199.14355	1.9
206.38998	0.3
210.16023	2.8
218.11755	0.4
219.11296	7.7
219.33405	0.3
223.13132	1.6
233.07927	0.3
238.13086	0.6
238.15489	11.5
239.15573	0.3
245.12869	0.8
247.18040	1.9
256.16589	4.6
258.14975	1.1
273.12299	0.7
275.17560	1.1
289.16434	0.4
290.16907	0.6
303.16931	0.7
304.16556	20.7
305.16931	0.9
314.18658	2.6
329.18579	3.9
332.19690	1.0
343.17249	0.7
360.22769	2.3
389.21521	0.6
399.19852	0.5
417.20847	7.1
417.25131	6.8
418.22241	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	417.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.2
56.05033	1.3
57.05806	1.1
58.06596	2.7
61.48873	0.6
63.96982	0.5
66.17055	0.5
69.03434	0.9
69.07068	5.9
70.06590	3.6
70.55533	0.7
70.55891	1.0
71.35341	0.5
72.08153	87.4
73.08488	1.3
80.05019	0.9
83.15014	0.5
84.04510	2.5
84.08141	86.9
84.62769	0.6
85.02910	0.7
85.08472	2.1
86.09703	100.0
87.10061	2.9
95.04974	0.8
98.97563	0.8
100.07599	0.7
102.05559	1.3
110.07150	1.4
116.07096	1.1
119.04954	0.9
120.08124	0.9
123.04439	3.3
127.12314	36.4
128.12633	0.7
129.10239	5.2
130.04967	1.6
134.09705	0.6
143.11815	3.6
147.04446	1.5
148.06024	3.5
151.03896	2.2
156.07632	0.7
157.09749	1.2
163.07492	1.0
171.11299	3.9
171.14923	3.0
183.11186	0.8
185.16492	24.2
186.16809	0.8
187.10774	2.0
189.12318	1.0
191.07057	4.4
193.08604	1.1
199.14391	1.7
202.28255	0.6
205.11824	21.7
206.12173	0.9
213.15977	31.9
214.16228	1.2
222.11220	1.7
225.15979	1.6
229.11818	1.2
247.12924	5.4
261.14453	3.6
267.20651	0.7
270.18033	3.0
304.14804	0.9
312.22839	4.8
399.20386	0.7
417.13223	4.5
417.20850	10.6
418.22076	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3213
Annotation	oscr#30
Peak:m/z	Relative Intensity
55.05519	6.6
57.03441	6.5
57.07071	6.7
61.02955	1.7
61.26140	1.9
67.05519	6.0
69.03455	2.9
69.07082	9.6
69.36800	6.6
70.06603	7.0
71.08645	3.4
71.74569	2.0
73.88197	1.7
79.05486	3.2
80.05046	4.1
81.07087	6.7
83.04990	3.0
83.08631	6.3
84.08158	3.9
85.10236	2.9
85.27967	1.9
88.07636	2.8
93.07072	5.2
95.08639	6.9
97.06532	2.2
97.10194	4.9
105.07081	2.0
105.87482	1.6
107.08603	3.0
109.10174	3.4
117.05486	13.6
117.54721	1.7
119.08584	2.8
120.08984	2.5
121.10201	3.3
122.09699	2.4
135.11783	2.2
136.11227	2.0
144.00824	1.6
150.09235	2.7
162.12773	2.4
168.10234	2.3
175.13245	2.2
182.11778	4.5
190.12270	2.7
191.12697	1.9
236.16556	2.6
246.15068	4.7
247.09673	2.3
265.25333	2.6
285.13165	1.7
289.16760	2.7
290.17108	4.9
320.18457	8.5
325.33072	2.0
330.29285	1.8
335.19180	5.0
340.34164	2.0
343.17392	3.1
344.18661	6.4
356.35483	3.0
375.18420	7.2
381.30362	6.1
389.21555	2.3
399.18167	64.8
399.31064	35.7
400.18872	3.8
400.31354	2.6
417.21027	69.8
417.28287	3.2
417.37570	5.7
418.22241	100.0
418.38812	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	418.2223
Annotation	Protostemonine
Peak:m/z	Relative Intensity
53.03957	0.1
55.01871	0.7
55.05510	0.5
56.05029	0.4
57.03435	0.2
58.06591	0.2
59.05009	0.2
63.77871	0.1
65.03939	0.2
67.05503	1.1
68.05028	0.4
69.03431	2.2
69.07057	0.2
70.05408	0.3
70.06593	3.6
70.78905	0.1
71.04993	0.6
72.08183	0.1
73.08127	0.1
79.05495	1.4
80.05015	1.6
81.05798	0.2
81.07058	0.9
82.06589	0.6
83.01345	0.4
83.04984	0.3
83.07371	0.2
84.08140	1.2
87.72820	0.1
91.05481	0.9
93.07038	1.0
94.06567	1.7
95.04966	0.4
95.07382	0.2
95.08601	0.9
96.08128	1.5
97.06529	0.3
97.08926	0.3
97.38953	0.1
99.04460	0.6
100.07636	0.3
101.06029	0.2
105.07037	1.3
106.06548	0.2
107.07329	0.2
107.08588	0.7
108.08118	0.8
109.06528	0.4
109.08887	0.5
110.09687	1.6
111.08045	0.2
112.07581	0.2
117.07037	0.5
119.08606	0.8
119.11651	0.1
120.08097	0.7
121.06506	0.5
121.08846	0.1
121.10145	0.2
122.09665	3.5
123.08129	0.2
124.07618	0.2
124.11241	0.5
125.06003	0.7
125.09595	0.2
126.09184	0.1
127.03934	0.4
128.06267	0.3
128.07076	0.3
129.07043	0.2
131.08580	0.6
132.08105	0.2
133.06474	0.3
133.10149	0.4
134.09662	1.0
135.04417	0.2
135.08047	0.4
135.10349	0.2
136.11226	1.9
137.05995	0.3
137.09650	0.2
137.12010	0.2
138.09164	0.4
138.12819	0.2
139.03951	0.1
139.07568	0.2
141.05476	0.2
142.08716	0.1
143.08585	0.5
145.06465	0.3
145.10115	0.5
146.09677	0.3
147.08055	0.3
147.10583	0.1
147.11725	0.4
148.11208	0.5
149.06001	0.4
149.09673	0.2
149.11989	0.2
150.09138	2.9
150.12711	0.3
151.04033	0.2
151.07541	0.3
152.10738	0.3
153.05504	0.4
154.12283	0.5
155.03397	0.7
155.07053	0.5
155.08572	0.1
157.10129	0.2
159.08066	0.3
160.08907	0.1
160.11229	0.4
161.05954	0.1
161.09616	0.4
162.09137	0.2
162.12790	1.7
163.07584	0.2
163.11198	0.2
164.10712	0.2
164.14355	1.3
165.05463	0.5
165.09109	0.3
167.07056	0.3
168.10211	2.1
170.11810	0.2
171.08113	0.2
173.09662	0.4
174.12720	0.2
175.07603	0.2
175.11238	0.5
176.10767	0.2
177.09177	0.2
179.07008	0.3
179.98813	0.1
181.08560	0.6
182.11761	3.7
183.06557	0.8
183.11823	0.2
184.13330	1.7
188.10735	0.1
188.14325	0.2
189.09164	0.3
190.12236	0.2
190.15926	0.7
190.37244	0.1
191.07031	0.2
191.10745	0.2
192.13821	0.1
193.08572	0.2
194.11655	0.1
196.13306	0.2
199.07603	0.1
202.12311	0.2
205.08617	0.2
206.11797	0.2
207.13733	0.1
208.13365	0.5
210.14784	0.1
216.13849	0.2
217.08621	0.3
218.15404	0.3
219.06599	0.2
219.10158	0.2
220.13272	0.5
221.11699	0.2
222.14885	0.2
230.15445	0.1
231.10278	0.2
232.13397	0.2
233.11732	0.2
234.14946	0.3
235.09552	0.1
235.15581	0.2
236.16452	4.9
237.16713	0.1
246.14896	5.4
247.09633	2.0
247.15405	0.2
248.16524	0.3
249.11205	1.7
250.14375	0.1
260.16351	0.2
262.18127	0.3
264.19513	0.9
274.17993	0.3
276.15973	0.4
286.17868	0.1
288.15973	0.1
292.19034	0.8
293.66870	0.1
302.14224	0.1
302.17505	0.3
304.15393	0.3
316.15613	0.2
316.19089	0.2
318.16953	0.9
320.18555	10.8
321.18948	0.3
330.17279	0.2
342.17075	0.2
342.20673	0.3
344.18561	8.3
345.18979	0.4
348.18002	0.2
360.18057	0.8
360.21893	0.2
372.21829	0.2
374.23361	0.3
388.17624	0.1
390.18756	0.2
390.23178	0.2
400.21103	0.3
403.19894	0.6
416.20462	0.1
418.22223	100.0
419.22559	6.0
422.50110	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	418.2226
Annotation	Protostemonine
Peak:m/z	Relative Intensity
53.03940	0.1
55.01872	0.8
55.05507	0.4
56.02663	0.1
56.05026	0.4
58.06586	0.2
59.04991	0.2
64.42355	0.1
65.03932	0.2
67.01836	0.1
67.05502	1.3
68.05024	0.4
69.03068	0.1
69.03429	2.1
69.07062	0.1
69.50227	0.2
69.50607	0.2
70.06592	3.6
71.04703	0.1
71.04996	0.8
71.06940	0.1
76.30982	0.1
77.03892	0.1
79.05490	1.0
80.04544	0.1
80.05014	1.9
80.13867	0.1
81.03395	0.1
81.05788	0.1
81.07050	1.2
82.06566	0.9
83.01340	0.5
83.04957	0.3
83.07349	0.2
84.08144	1.4
91.05476	1.1
93.05760	0.1
93.07047	1.2
94.06561	1.6
95.04990	0.4
95.07330	0.2
95.08594	0.8
96.08131	1.6
97.06506	0.4
97.08926	0.4
98.06082	0.1
99.04461	0.6
100.07608	0.3
101.06036	0.1
103.05425	0.1
105.07032	1.3
106.06548	0.3
107.04940	0.2
107.07366	0.2
107.08589	0.8
108.08125	0.8
109.06514	0.7
109.08922	0.4
109.10149	0.1
110.06056	0.1
110.09673	1.4
111.08063	0.2
112.07564	0.2
113.06062	0.1
115.05447	0.1
117.07021	0.5
118.06525	0.1
119.08579	0.9
120.08137	0.5
121.06491	0.6
121.10137	0.2
122.09666	3.8
123.04394	0.1
123.08035	0.3
123.10472	0.1
124.07563	0.2
124.11243	0.4
125.05994	0.7
125.09625	0.2
126.09142	0.2
127.03930	0.5
128.06212	0.2
128.07060	0.2
129.06989	0.3
130.07788	0.1
131.08554	0.6
132.08047	0.3
133.06482	0.3
133.08884	0.1
133.10094	0.4
134.09659	1.0
135.08031	0.5
135.10387	0.3
136.07558	0.1
136.11211	1.9
137.05972	0.2
137.09579	0.2
137.12016	0.2
138.09167	0.5
138.12756	0.3
139.03859	0.1
139.07526	0.2
141.05455	0.2
143.08577	0.4
145.06461	0.3
145.10097	0.4
146.09637	0.3
147.08025	0.3
147.10583	0.1
147.11676	0.4
148.11201	0.6
149.06039	0.4
149.09583	0.2
149.12077	0.2
150.09143	3.0
150.12775	0.2
151.03885	0.2
151.07541	0.4
151.09480	0.2
152.10699	0.4
153.05444	0.3
153.06985	0.1
153.09088	0.3
154.12300	0.4
155.03404	0.6
155.06001	0.1
155.07036	0.5
155.08487	0.2
157.10144	0.2
158.07384	0.1
158.09540	0.1
159.08022	0.3
160.08836	0.2
160.11194	0.4
161.06044	0.1
161.09607	0.3
161.11937	0.1
162.09113	0.2
162.12773	1.6
163.07584	0.2
163.11214	0.2
164.10686	0.2
164.14342	1.6
165.05557	0.4
165.06735	0.1
165.09151	0.3
166.08575	0.1
166.12273	0.1
167.07042	0.4
167.08386	0.1
168.10194	1.9
169.10381	0.1
170.09608	0.1
170.11755	0.1
171.08034	0.1
172.11147	0.1
173.09596	0.4
174.12769	0.3
175.07498	0.2
175.11209	0.7
176.10712	0.1
176.14311	0.3
177.09070	0.2
178.12224	0.1
178.15916	0.1
179.06995	0.2
179.10669	0.1
180.10196	0.1
181.08670	0.6
182.11763	3.9
183.06503	0.6
183.07991	0.1
183.12047	0.2
184.13322	1.9
185.09604	0.1
185.13567	0.1
187.07491	0.1
187.11209	0.2
188.08397	0.1
188.10687	0.1
188.14374	0.2
189.09102	0.4
190.12225	0.2
190.15887	0.7
191.07025	0.2
191.10669	0.2
192.13788	0.1
193.08588	0.1
193.12265	0.1
194.11774	0.2
196.13348	0.2
200.10693	0.1
201.09131	0.1
202.12263	0.2
203.10690	0.1
204.13824	0.1
205.08685	0.2
206.11839	0.1
207.06500	0.2
207.13698	0.1
208.13263	0.5
209.08044	0.1
210.14836	0.2
216.13744	0.2
216.17316	0.1
217.08559	0.2
218.15393	0.3
219.10172	0.3
220.13313	0.7
221.11632	0.2
222.14909	0.2
230.11700	0.1
230.15303	0.1
231.10204	0.1
232.13318	0.1
233.11758	0.3
234.14842	0.7
235.15437	0.2
236.16461	4.5
236.40944	0.1
237.16797	0.3
240.13701	0.1
244.13356	0.1
246.14885	5.7
247.09653	1.7
247.15237	0.4
248.10120	0.1
248.16426	0.4
249.11230	1.5
250.14293	0.2
254.15305	0.1
258.14963	0.1
260.16547	0.2
262.18137	0.4
263.18378	0.1
264.19638	0.9
268.17102	0.2
270.14926	0.1
272.16492	0.1
274.14749	0.1
274.18005	0.4
276.15900	0.5
278.13965	0.2
284.16553	0.1
286.14566	0.2
286.17798	0.2
288.15778	0.1
290.17365	0.2
292.18979	0.6
293.19458	0.1
302.14182	0.2
302.17444	0.6
304.15536	0.3
314.21271	0.1
316.15488	0.2
316.18954	0.2
318.17023	1.1
320.18555	10.8
321.18930	0.9
326.17587	0.1
329.16284	0.1
330.16995	0.2
342.16959	0.1
342.20535	0.3
344.18549	8.0
345.18976	0.7
348.18042	0.1
360.18008	0.9
372.21866	0.4
374.23227	0.3
386.19501	0.1
388.17593	0.1
390.18719	0.2
390.22925	0.2
400.20999	0.4
403.19760	0.5
416.20767	0.1
418.22195	100.0
419.22559	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	418.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05507	0.2
58.06573	0.1
63.49655	0.1
66.82042	0.1
67.05489	1.0
68.05027	0.3
68.15012	0.1
69.03432	1.5
70.06590	2.7
70.06966	0.2
70.07355	0.2
71.05004	0.5
77.03960	0.2
79.05486	0.8
79.54856	0.1
80.05021	1.0
81.07060	1.0
82.06574	0.4
83.01346	0.3
83.04981	0.2
83.07388	0.2
84.08144	0.9
91.05487	0.6
93.07037	0.6
94.06562	1.0
95.04975	0.4
95.07365	0.2
95.08618	0.8
96.08125	1.0
97.06549	0.2
97.08900	0.3
98.06062	0.2
98.09701	0.2
98.22695	0.2
99.04453	0.4
101.06009	0.2
105.07015	0.9
107.08591	0.4
108.08112	0.8
109.06548	0.2
109.08916	0.4
110.09654	0.9
111.08083	0.3
117.07042	0.3
118.96988	0.2
119.08605	0.6
120.08106	0.4
121.06509	0.3
121.10101	0.4
122.09670	2.4
123.04414	0.2
123.08043	0.2
123.10416	0.2
124.07596	0.2
124.11273	0.2
125.06013	0.4
126.09148	0.1
127.03902	0.5
127.07376	0.2
129.07019	0.2
131.08577	0.4
132.08084	0.2
133.06477	0.3
133.10115	0.2
134.09679	0.8
135.08047	0.3
136.11211	1.5
137.05946	0.2
138.09122	0.3
139.07639	0.2
143.08586	0.3
145.06473	0.2
145.08934	0.1
145.10146	0.6
146.09694	0.3
147.08047	0.2
147.11720	0.5
148.11226	0.4
149.05977	0.4
149.09622	0.2
149.12032	0.2
150.09131	2.4
150.12836	0.2
151.03952	0.2
151.07571	0.2
152.10686	0.3
153.05479	0.2
154.12270	0.4
155.03401	0.4
155.07031	0.3
159.08096	0.2
160.11237	0.1
161.09647	0.3
162.12776	1.3
163.07585	0.2
164.14369	1.0
165.05453	0.3
167.07025	0.4
168.10214	1.8
173.09657	0.3
175.11211	0.4
176.14357	0.2
180.10329	0.2
181.08592	0.5
182.11761	2.8
183.06552	0.5
184.13342	1.2
188.14435	0.2
189.09149	0.3
190.15950	0.4
191.10701	0.2
196.69272	0.2
202.12332	0.2
208.13379	0.5
210.14865	0.2
216.13840	0.2
218.15462	0.4
219.10190	0.2
220.13359	0.4
222.14899	0.3
233.11790	0.3
234.15021	0.3
235.09612	0.1
236.16449	4.1
246.14899	3.9
247.09665	1.5
248.16371	0.2
249.11229	1.6
262.18011	0.4
264.19571	0.6
274.18011	0.3
276.15924	0.5
292.19055	0.6
302.13983	0.2
302.17477	0.3
318.16864	0.7
320.18564	8.2
321.18967	0.3
342.20700	0.3
344.18567	7.0
345.18924	0.3
348.18033	0.2
360.18024	0.8
372.21762	0.3
374.23233	0.2
388.17267	0.2
390.22995	0.3
400.21014	0.3
403.20050	0.5
418.22217	100.0
419.22583	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	418.2224
Annotation	Gly Arg Trp
Peak:m/z	Relative Intensity
53.18668	0.2
55.01866	0.7
55.05495	0.2
56.05052	0.2
59.02058	0.2
67.05499	0.9
68.05032	0.3
69.03429	1.6
69.62391	0.5
70.06593	2.9
71.04994	0.7
73.89686	0.2
77.03883	0.2
79.05522	0.9
80.05013	1.5
81.03423	0.2
81.07054	0.9
82.06563	0.5
83.01345	0.2
83.04968	0.2
84.08132	1.2
87.76638	0.2
91.05477	0.8
93.07043	1.1
94.06066	0.2
94.06561	1.1
95.04964	0.4
95.07352	0.2
95.08591	0.6
96.08121	1.3
97.06522	0.3
97.08868	0.2
98.06084	0.2
99.04465	0.4
105.07030	0.9
107.08599	0.5
108.08096	0.4
109.08906	0.3
110.09694	1.2
117.07031	0.2
118.80865	0.2
119.08595	0.6
120.08135	0.6
121.06526	0.5
121.10136	0.3
122.09668	2.8
123.08089	0.3
124.11259	0.5
125.05973	0.5
127.03922	0.3
128.07043	0.2
131.08609	0.5
132.08080	0.3
134.09648	0.9
135.08029	0.3
136.11209	1.4
137.09618	0.3
138.09145	0.3
141.05481	0.2
145.06538	0.2
146.09639	0.4
147.08080	0.3
147.11700	0.6
148.11212	0.5
149.05983	0.3
149.11919	0.2
150.09146	2.4
151.07545	0.2
152.10695	0.3
153.09145	0.3
154.12267	0.6
155.03357	0.4
155.07062	0.3
155.08510	0.3
157.10165	0.3
159.08089	0.3
160.11250	0.2
162.12772	1.3
163.07541	0.3
163.13504	0.2
164.10652	0.2
164.14354	0.9
165.05484	0.4
167.07042	0.3
168.10213	1.8
171.08090	0.2
173.09654	0.4
175.11226	0.5
176.14346	0.3
181.08620	0.6
182.11751	3.2
183.06512	0.5
184.11888	0.2
184.13309	1.5
184.53122	0.2
187.11159	0.2
190.15900	0.4
202.12068	0.2
208.13284	0.4
216.13750	0.2
218.15540	0.2
220.13286	0.5
222.14813	0.4
234.14862	0.2
236.16438	3.9
246.14902	4.6
247.09637	1.9
249.11244	1.1
250.14467	0.2
256.13428	0.2
262.18018	0.3
264.19537	0.7
274.18130	0.2
276.16055	0.4
278.13892	0.4
288.15683	0.2
292.19055	0.7
302.17569	0.4
315.86462	0.2
316.15402	0.2
318.16953	1.0
320.18573	9.7
321.19064	0.2
330.16748	0.3
342.17117	0.4
342.20810	0.2
344.18542	7.7
345.18954	0.4
360.18097	0.6
372.21808	0.3
403.20111	0.5
416.20599	0.2
418.22229	100.0
419.22601	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	418.2227
Annotation	Methoxystemofoline
Peak:m/z	Relative Intensity
50.25325	0.7
55.05508	1.2
56.96570	1.3
59.05006	8.6
67.05500	2.5
69.03434	28.9
70.06593	2.1
71.04998	1.5
79.05473	1.0
80.05027	2.5
81.07059	1.3
83.01368	0.9
84.08152	1.0
85.83412	0.7
87.04480	2.0
91.05488	1.8
92.99866	0.8
93.07057	2.3
94.06573	1.2
95.04977	1.8
95.08647	1.1
96.08162	1.0
97.02915	2.4
98.06068	0.9
98.23414	2.6
101.06051	1.8
105.07066	1.7
109.10162	1.1
114.13303	0.8
115.03983	1.9
120.08116	3.0
122.06003	0.9
122.09680	2.9
127.04003	0.9
127.07648	1.7
129.05479	7.3
132.08121	2.0
134.09653	13.5
134.98282	0.8
135.10077	1.1
136.11220	1.7
137.55267	0.8
139.07541	1.8
146.09711	2.3
148.11206	0.9
150.09203	1.1
158.09674	1.9
160.07584	23.2
160.11269	2.6
162.12840	1.3
164.14375	1.7
169.08659	1.1
170.09735	1.0
172.11247	3.0
173.12016	2.8
174.09180	2.8
174.12819	3.3
175.13551	1.3
182.11841	1.8
184.11256	1.9
186.09154	1.0
186.12793	5.0
188.10696	1.5
190.12340	3.2
198.12814	1.8
200.10773	1.6
200.14326	0.9
202.12276	17.3
212.10783	1.4
212.14201	0.9
216.10260	1.2
216.13747	1.2
226.12268	1.5
226.15897	1.4
228.13872	2.9
230.11780	32.3
231.12366	1.0
236.16498	2.5
239.13086	1.5
241.14421	1.0
244.13426	1.1
246.11263	3.8
246.14876	5.5
248.12848	27.5
254.11850	2.0
254.15494	3.6
256.13400	1.8
259.15674	1.1
260.16461	1.5
261.13757	1.0
269.14053	1.1
270.14859	2.0
271.15674	0.9
272.16550	6.7
280.13464	1.0
286.14490	1.8
286.17981	2.4
290.17181	1.0
296.16571	2.0
298.14438	3.8
314.17487	1.4
316.15671	1.3
320.18518	6.5
322.18210	2.7
324.16025	1.8
340.19226	2.6
342.17041	1.7
344.18661	6.9
350.17734	2.5
356.18756	1.2
358.20300	1.5
368.18597	10.0
369.18863	0.9
372.21698	1.4
386.19724	52.3
387.20197	4.2
388.21274	2.4
400.21259	2.8
409.21719	0.9
410.22769	1.0
416.21533	0.9
417.72021	1.6
418.22269	100.0
419.22632	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	418.2226
Annotation	Protostemonine
Peak:m/z	Relative Intensity
53.03931	0.2
55.01875	0.7
55.05286	0.1
55.05511	1.0
56.05016	0.3
56.21620	0.1
58.06575	0.1
65.03960	0.1
67.01864	0.1
67.05504	3.3
68.05013	0.3
68.93374	0.1
69.03426	1.2
69.07030	0.2
70.06592	2.9
71.04995	0.4
71.79887	0.1
72.08136	0.4
79.05494	1.1
80.05017	2.7
81.05779	0.1
81.07054	0.8
82.06561	0.6
83.04953	0.2
83.07337	0.4
84.04518	0.1
84.08143	5.8
85.02892	0.1
85.08434	0.1
86.09707	0.9
87.10010	0.2
87.48932	0.1
91.05478	0.8
93.05794	0.2
93.07040	1.2
94.06568	2.0
95.04975	0.4
95.07329	0.3
95.08604	9.3
96.08127	1.7
96.08790	0.2
96.08957	0.1
97.02837	0.1
97.06490	0.2
97.08895	0.2
99.04449	2.8
105.07027	1.0
106.06544	0.3
107.04943	0.1
107.07340	0.1
107.08591	0.8
108.08115	1.0
109.06507	0.4
109.08894	0.5
109.10181	0.1
110.06043	0.2
110.09689	0.4
111.08112	0.1
112.07598	0.2
116.07095	0.1
117.06999	0.3
118.06572	0.1
119.04967	0.1
119.08575	0.6
120.08110	0.7
121.06520	0.1
121.08914	0.2
121.10146	0.2
122.09669	4.5
123.04411	0.2
123.08076	0.7
123.10486	0.1
124.07610	0.2
124.11220	1.9
125.05999	0.8
125.09619	1.2
127.03915	6.0
127.12356	0.2
129.05493	0.7
129.10240	0.1
131.08537	0.1
132.08075	0.3
133.06471	0.1
133.08835	0.2
133.10088	0.2
134.09666	1.4
135.08055	0.7
135.10411	0.2
136.11215	6.0
137.05956	0.2
137.09566	0.1
137.11639	0.2
138.09122	0.1
139.07529	0.2
140.10732	0.1
141.05534	0.1
142.08612	0.3
142.12260	0.1
143.08537	0.1
145.10136	0.3
146.09641	0.4
147.08018	0.2
147.11658	0.3
148.11176	0.7
149.08440	0.1
149.09584	0.1
149.12009	0.5
150.09146	3.0
150.12805	0.2
151.03918	0.2
151.07556	0.2
151.09474	0.1
152.10695	3.9
153.09039	0.1
154.12270	1.7
155.03426	0.1
155.07011	0.2
159.07974	0.1
159.10428	0.1
160.11252	0.5
161.12086	0.1
162.09132	0.2
162.12810	0.8
163.03889	0.1
163.11209	0.1
164.10670	0.3
164.14349	16.5
165.05536	0.1
165.12714	0.2
165.14720	0.5
166.08620	0.2
167.07060	0.1
168.10207	1.8
169.04884	0.1
170.05276	0.1
173.09653	0.2
174.12767	0.4
175.11192	0.2
176.14343	1.1
177.12793	0.1
177.15034	0.1
180.10194	0.4
182.11758	27.6
182.57391	0.1
183.12108	1.1
188.10655	0.1
188.14406	0.2
190.12384	0.1
190.15895	1.0
191.10648	0.1
192.13814	0.2
194.11731	0.2
201.12321	0.1
202.12318	0.2
206.11781	0.3
209.11790	0.1
216.13864	0.3
218.19003	0.1
219.10065	0.1
219.13377	0.1
220.13272	0.2
232.13393	0.2
233.13922	0.1
234.14865	1.7
235.15584	0.3
236.12766	0.1
236.16579	0.1
244.17026	0.5
248.16373	0.2
260.16495	0.1
262.18011	1.0
263.18732	0.2
266.10590	0.1
266.13757	0.2
272.16589	0.1
290.17465	0.7
303.08704	0.3
304.15381	0.4
306.17038	0.2
320.18457	0.6
330.17081	0.2
344.18448	0.9
345.19498	0.1
372.21732	0.6
377.17096	0.1
390.22769	0.3
400.21011	0.5
418.22220	100.0
419.22583	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	418.2232
Annotation	Methoxystemofoline
Peak:m/z	Relative Intensity
55.01870	1.1
67.05510	1.3
69.03426	1.7
69.07081	0.7
70.06588	2.5
75.60120	0.6
76.37951	0.6
79.05498	1.6
80.05013	1.6
80.94851	2.0
81.07047	1.2
83.07380	0.6
84.08140	1.1
91.05457	0.8
93.07041	0.8
94.06581	1.1
95.08627	0.8
96.08125	1.4
96.92281	0.7
97.02850	0.6
98.97571	0.7
99.04424	0.6
105.07026	0.7
109.10174	0.9
109.92005	0.6
110.09678	1.2
116.98647	0.8
117.07072	0.9
117.52148	0.6
119.08509	0.7
120.08101	0.8
122.09655	2.7
134.09636	1.2
136.11250	1.5
141.78726	0.6
147.11679	0.7
148.11118	0.7
150.09151	2.7
162.12827	0.7
164.14348	0.7
164.92087	1.1
168.10185	1.7
182.11792	2.4
184.13347	1.1
191.10753	0.6
220.13185	0.7
229.54034	0.6
234.15004	0.9
236.16537	4.3
241.00211	0.6
246.14836	4.7
247.09720	2.2
249.11404	1.1
264.19623	1.0
320.18527	10.3
333.17365	0.9
336.91397	0.6
344.18640	8.3
373.15582	6.2
376.20288	0.9
389.24753	0.6
390.22751	0.6
400.14197	1.0
418.22226	100.0
419.22641	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	418.2228
Annotation	Protostemonine
Peak:m/z	Relative Intensity
55.01864	0.7
55.05510	0.7
56.05041	0.5
58.22904	0.3
65.03924	0.3
67.05516	2.4
68.05025	0.4
69.03424	2.5
70.06589	2.9
70.75153	0.3
70.75507	0.4
71.05003	0.7
79.05488	1.7
80.05022	1.8
81.07060	1.6
82.06581	0.5
83.04960	0.3
84.08145	1.5
85.32569	0.3
89.57403	0.3
91.05490	1.0
92.55545	0.3
93.07038	1.2
94.06575	1.3
95.04971	0.9
95.08617	1.2
96.08135	1.6
99.04442	0.4
99.08092	0.3
105.07034	1.6
107.08607	0.7
108.08118	1.0
109.06509	0.6
109.08939	0.4
109.10171	1.3
110.09678	1.1
116.95352	0.3
117.06979	0.5
119.08559	1.0
120.08119	0.7
121.06505	0.5
122.09653	3.2
123.04491	0.3
125.06004	0.6
126.09176	0.3
131.08624	0.4
133.10112	0.3
134.09671	0.7
135.08084	0.3
136.11221	1.7
137.05994	1.0
138.09123	0.4
145.06506	0.4
145.10135	0.4
146.09682	0.3
148.11227	1.0
150.09123	2.5
151.07620	0.4
153.09090	0.4
155.03352	0.5
155.07104	0.3
156.10194	0.4
159.08101	0.4
160.11279	0.5
162.12794	1.3
163.07591	0.4
164.14482	0.7
165.05569	0.4
167.07010	2.0
168.07388	1.5
168.10185	2.0
171.08110	0.4
173.05969	0.4
173.09676	0.3
173.11737	0.6
174.12834	0.5
175.11211	0.6
179.07140	0.5
181.04980	0.5
181.08705	0.7
182.05299	0.8
182.11740	3.0
183.06604	0.4
184.13406	1.5
188.14296	0.4
190.12236	0.5
190.15952	0.7
191.07074	0.8
191.10637	0.4
192.07410	0.6
208.13283	0.3
217.08464	0.4
220.13292	0.6
229.14359	1.7
236.16444	4.5
246.14880	5.7
247.09528	1.5
248.16624	0.3
249.11243	1.2
260.16620	0.3
264.19650	0.8
269.17654	0.5
274.17828	0.5
276.15906	0.5
289.16306	0.4
290.16907	0.7
291.17490	0.5
292.18967	0.8
302.17563	0.5
316.14938	0.3
318.17056	0.7
320.18524	9.2
320.22095	0.6
321.18890	0.5
342.20587	0.4
344.18555	6.7
351.25467	0.4
360.18082	0.7
374.22885	0.5
383.24323	0.6
388.14465	0.4
390.22205	0.5
400.20862	0.7
403.19876	0.4
418.22174	100.0
419.17108	0.4
419.22635	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	418.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.05027	0.7
57.07075	6.3
58.06605	2.0
60.44781	0.3
62.92251	0.4
67.05502	1.3
68.05025	0.6
69.03435	1.5
69.07065	0.9
70.06589	22.4
71.04990	1.0
71.06928	0.4
71.08629	2.5
71.45039	0.4
72.08158	2.5
79.05485	1.0
80.05015	0.9
81.07070	1.2
84.08141	1.9
85.10179	0.9
86.09692	2.7
87.17384	0.4
88.07629	8.2
89.06019	0.7
91.05485	1.1
93.07047	1.4
94.06586	0.6
95.05013	0.3
95.08614	1.3
96.08138	1.4
96.08817	0.4
97.06532	0.6
102.09181	4.8
105.07012	0.9
107.08591	0.7
108.08120	0.4
109.10117	0.5
110.09688	1.1
114.09177	0.6
117.05476	0.5
119.08597	0.8
120.08076	0.5
122.09670	1.5
125.06012	0.4
132.10202	8.5
134.09644	1.0
136.11247	0.7
145.10136	0.4
146.11746	8.4
148.11166	0.5
150.09174	1.4
162.06924	0.4
162.12769	0.8
168.10225	1.1
182.11749	2.1
184.13344	0.7
194.13977	0.5
236.16365	2.2
246.14868	3.4
247.09462	0.9
249.11388	1.2
264.19437	0.5
268.29919	1.8
277.21698	0.5
294.31696	1.0
302.17706	0.5
312.32581	16.1
313.29626	0.4
313.33014	1.6
320.18536	5.2
321.19101	0.4
344.18521	4.5
345.18750	0.6
351.25146	0.9
356.35196	37.6
357.35571	2.0
383.27872	0.8
400.37689	0.8
418.22232	57.0
418.38870	100.0
419.22711	5.7
419.39200	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	419.0978
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.17091	0.3
51.83091	0.2
53.03918	0.3
55.01836	0.9
55.05489	0.6
56.05011	0.5
57.03405	1.0
59.14410	0.3
61.02924	1.6
64.22227	0.3
65.03889	0.3
67.05473	1.2
68.04997	0.3
68.99772	0.5
69.03423	3.4
69.07043	0.3
69.33659	1.1
70.06583	2.4
70.45421	0.3
71.01307	0.4
71.04951	0.8
73.02917	13.7
76.10149	0.3
79.05497	1.6
80.05025	1.7
80.19917	0.3
81.03391	0.6
81.07056	1.4
82.06556	0.7
83.01324	0.6
83.04962	0.5
83.07380	0.3
84.08111	1.0
84.50227	0.3
85.02890	1.4
87.00790	0.3
91.05473	1.9
93.07052	1.8
94.06586	1.5
95.04927	1.0
95.08564	1.2
96.08123	1.5
97.02868	0.7
99.04425	0.7
105.07037	1.5
106.06517	0.6
106.07228	0.3
107.04936	0.7
107.08595	1.4
108.08115	0.7
109.06502	0.8
109.10143	0.6
110.09694	1.3
111.00780	0.8
111.29970	0.3
115.03915	1.4
117.07008	0.7
119.08543	0.9
120.08040	0.9
121.02865	2.6
121.03706	0.5
121.06477	0.7
121.10131	0.4
122.09663	2.7
123.08070	0.6
123.09980	1.0
124.07504	0.3
124.11170	0.4
125.05958	0.6
127.03928	0.6
129.06953	0.5
131.08546	0.4
133.02811	0.4
133.10027	0.3
134.09618	1.2
135.08020	0.7
135.11678	0.4
136.11200	1.5
137.02289	0.8
137.05968	0.7
137.09639	0.3
137.11543	0.4
139.07484	0.3
141.06905	0.5
143.08549	0.6
145.06467	0.6
145.10046	0.6
147.04352	0.6
147.08038	0.3
148.07520	0.5
148.11174	0.6
149.05948	0.7
150.09157	2.2
151.07504	0.4
151.09486	0.6
152.10617	0.8
153.01843	3.4
153.05434	0.4
154.12210	0.4
155.03336	0.5
155.06966	0.5
157.06494	0.5
159.08081	0.4
160.11160	0.5
161.05968	0.4
161.84830	0.3
162.09116	0.4
162.12750	1.8
163.13168	0.3
164.14307	1.0
165.01833	1.4
165.05432	0.4
165.14690	0.4
166.02205	0.3
168.10149	1.2
169.10492	0.4
173.09712	0.3
174.12769	0.4
175.11177	0.3
176.10611	0.3
181.08545	0.4
182.11775	2.2
183.02890	0.6
183.06488	0.8
183.12123	1.0
184.13327	0.7
185.05949	0.4
190.12296	0.4
190.15825	0.4
202.12219	0.3
203.07022	0.3
204.13866	2.1
205.08615	0.3
213.05528	1.4
217.08560	0.5
218.11818	0.3
218.15329	0.4
220.13167	0.4
231.06541	0.7
234.14934	0.4
235.15265	0.3
236.16467	2.7
237.16743	0.7
241.04947	1.0
246.14850	4.1
247.09657	2.1
247.15222	2.4
248.10031	0.7
249.11217	0.8
258.05151	0.9
259.06021	0.5
260.16333	0.4
264.19540	0.5
266.17349	0.5
274.17996	0.4
287.05487	100.0
288.05829	6.5
292.19070	0.3
293.19324	0.3
320.18524	7.1
321.18878	4.7
344.18570	4.6
345.18951	4.6
360.17972	0.6
388.21130	2.8
389.21362	0.5
403.19839	0.5
418.22208	45.8
418.72491	3.4
419.22562	52.5
420.19382	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	419.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.3
60.04543	0.3
67.05502	0.6
69.03426	2.1
69.32966	1.6
70.06594	3.3
71.04981	0.6
72.08153	1.7
77.73210	0.3
79.05471	0.3
81.07029	0.6
84.04494	0.6
84.08145	1.4
85.02894	0.6
85.06565	0.3
86.06060	0.4
86.09708	2.0
87.04469	0.3
91.05482	0.6
95.04987	0.6
102.05536	0.5
105.07022	0.3
107.12140	0.3
110.07192	1.5
112.08700	0.5
116.07096	0.5
119.04956	0.4
120.08088	0.8
121.06491	0.4
122.09660	0.4
123.04418	1.3
127.12302	0.4
129.07016	0.4
134.09674	0.5
139.03893	0.4
143.06781	0.7
147.04437	0.6
147.07970	0.3
151.03914	9.4
151.04945	0.4
152.10678	0.4
153.05411	0.4
154.12267	2.0
159.11375	0.3
163.04041	0.6
165.05492	4.2
168.10239	0.4
173.09352	0.6
192.13802	0.5
207.06572	0.6
220.13457	0.7
261.68756	0.3
291.12213	0.8
299.07394	1.2
305.12076	11.7
306.12436	0.4
317.10150	3.2
344.93600	0.3
375.84885	0.4
387.75806	0.4
402.19232	0.4
419.15219	100.0
420.15448	5.1
420.20203	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
55.05507	3.5
57.07076	3.0
61.44194	1.8
67.05501	2.5
69.03418	2.3
69.07056	2.3
69.50067	8.8
71.05035	1.8
79.05503	3.3
80.05031	2.2
81.07066	2.9
91.05501	2.7
93.07056	2.2
95.08607	3.9
96.08150	2.4
105.07056	1.9
107.08598	2.7
109.10149	1.9
115.07543	4.5
119.08556	2.1
121.06577	2.0
129.01831	2.9
136.11162	2.2
139.51491	1.9
146.09692	2.4
147.04367	2.1
162.12788	2.9
176.14322	5.1
182.11804	2.2
188.14342	5.3
191.07027	2.0
204.13820	10.8
216.17453	1.8
222.12680	2.7
226.13492	2.1
226.15828	2.9
231.68198	1.8
236.10608	2.2
240.17583	2.8
254.11694	2.8
260.16544	2.9
264.17429	2.9
268.13409	3.4
282.14923	4.3
282.18237	3.5
284.16132	2.2
294.11154	5.2
294.18582	7.0
296.16486	10.5
310.18073	9.7
311.18741	6.2
314.17444	9.9
324.19638	2.9
325.20267	2.3
326.21201	4.3
337.16849	2.5
342.20609	4.5
352.19162	6.4
370.20148	57.6
371.20200	4.5
388.21176	100.0
389.21548	10.0
402.70926	2.7
419.22665	33.7
419.73047	2.2
420.20068	48.8
420.31342	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	419.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70875	0.7
55.01871	1.1
55.05515	19.2
56.43621	0.7
57.03439	7.6
57.07077	5.7
62.37395	0.7
67.05508	23.8
69.03407	0.9
69.06709	1.4
69.07072	24.3
70.06597	1.8
71.04980	1.6
71.08623	3.2
71.35536	1.0
79.05502	10.0
81.07063	26.8
83.08624	18.1
85.06531	2.2
91.05482	3.2
93.07053	13.0
95.08607	26.4
97.06539	4.1
97.09677	0.9
97.10190	9.8
98.98473	73.8
105.07037	1.2
106.16373	0.8
107.08589	7.4
109.10165	10.5
111.08064	4.6
111.11756	4.0
113.00027	10.1
116.99517	0.9
119.08531	1.1
121.10152	14.3
122.10458	1.0
123.11729	4.9
135.11694	11.4
137.13271	1.3
139.11194	1.4
140.01125	1.1
149.13260	4.4
151.14862	1.4
153.12643	0.8
155.01048	100.0
162.12827	1.0
163.14799	2.5
165.14865	0.7
165.16394	1.5
169.02635	10.3
173.02139	0.9
177.16356	1.1
177.64343	0.7
181.15591	0.9
182.11757	0.8
233.14200	0.8
236.06316	0.8
236.16403	1.5
237.16864	2.1
247.15234	1.9
247.24268	7.7
248.24542	1.2
265.20355	0.8
265.25281	19.4
266.25647	1.5
320.18442	1.1
321.18854	5.4
345.18869	3.7
419.22540	52.0
420.22678	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	420.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
69.03438	0.4
70.06592	1.5
70.59291	0.3
70.59631	0.4
71.04988	0.8
71.06932	0.3
72.08154	0.6
73.02911	0.6
75.04482	1.1
77.03925	0.4
79.05511	0.3
82.69328	0.3
84.08138	0.8
85.02891	2.7
86.09716	0.4
89.38381	0.3
93.05592	0.3
95.01331	2.6
95.04978	0.6
97.02884	0.3
99.00772	0.3
104.05379	0.3
104.39391	0.3
107.04953	100.0
107.37261	0.3
108.05297	2.4
113.02361	1.1
120.08102	0.5
123.04426	0.8
127.03889	0.4
131.03392	0.5
135.59840	0.3
141.01820	4.0
150.22198	0.3
153.05469	4.1
159.02893	0.7
162.12767	0.4
163.03897	0.5
163.07463	0.3
163.13635	0.3
165.05495	1.4
209.08087	36.5
210.08430	1.2
227.09129	15.8
228.09546	0.7
262.17899	0.3
317.10162	0.8
374.19531	0.3
385.11316	1.8
402.19171	0.5
420.15790	0.4
420.20087	6.9
420.25146	0.6
421.11005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1657
Annotation	Isonaamidine B
Peak:m/z	Relative Intensity
52.44928	1.5
53.03960	1.6
55.01876	3.9
55.05502	3.9
56.05038	2.2
58.34076	1.5
62.62688	1.9
67.05517	5.9
69.03436	12.6
69.07095	2.5
69.12366	10.8
69.24627	1.5
70.06594	2.2
71.04995	5.0
79.05481	5.5
80.05026	3.2
81.03448	1.9
81.07070	6.6
82.06589	2.8
83.01340	2.1
83.04984	3.4
91.05500	5.3
93.07060	5.3
94.06577	2.7
95.04999	3.0
95.08631	3.1
98.06078	3.3
98.22765	3.5
99.04488	7.8
100.07641	2.8
104.04987	1.7
104.99289	2.4
105.07026	4.3
106.06590	6.7
107.04945	2.0
107.07353	12.1
107.08609	3.2
109.10197	2.7
110.09698	1.9
111.08100	2.0
118.06558	1.7
120.08102	3.1
121.06387	1.7
121.12798	1.5
122.09695	2.7
123.04511	1.7
125.06000	2.1
127.03921	5.7
128.07127	4.0
129.07042	2.1
130.06581	3.0
132.08115	3.7
135.08092	1.7
136.11206	2.3
138.12679	2.6
143.05005	2.0
145.06477	2.1
146.06001	2.7
146.09644	2.2
148.07582	2.8
150.09103	1.6
155.03386	1.7
161.09618	3.0
162.09116	1.9
162.12819	3.1
163.39949	1.6
172.03969	5.1
172.07581	1.9
173.06020	2.1
174.05518	2.4
176.07086	15.0
177.09116	1.9
186.09178	7.0
188.10780	3.7
189.11421	1.9
190.08563	2.3
192.06581	2.5
192.13850	5.5
198.09102	2.1
204.06520	10.5
204.10252	2.5
204.13795	3.4
205.10994	3.7
210.09172	2.1
212.07036	2.3
214.08627	8.1
215.09283	1.9
216.10445	1.8
217.30194	1.8
218.08121	8.8
218.11621	2.9
220.13335	3.1
226.08578	2.1
228.10243	2.1
230.07970	2.7
230.11740	2.5
231.06570	2.4
232.09755	4.5
233.08263	2.6
233.10492	3.4
242.08142	3.4
244.09802	2.8
246.11261	17.1
247.11951	3.4
254.08109	2.9
254.11713	1.7
256.09848	3.2
258.11340	3.1
258.15109	1.8
259.06171	1.8
260.09149	20.1
261.09949	31.3
262.10214	1.9
264.12378	2.5
265.09283	1.8
270.11240	2.7
274.10718	12.3
278.10251	3.9
279.11078	10.0
286.14478	2.5
288.16043	3.3
292.11789	42.5
293.12454	5.1
298.14630	2.2
300.08386	2.2
300.12302	2.4
314.10440	3.3
314.14001	3.1
318.13297	2.4
321.18951	1.9
332.15057	2.5
338.96848	6.0
342.13242	2.9
344.14825	4.0
346.12842	4.0
360.14548	6.8
388.13907	87.9
388.21237	3.9
389.14185	4.7
389.21539	3.5
402.18784	4.8
404.20789	6.9
419.73206	5.0
420.16473	100.0
420.20914	30.3
421.16306	9.6
421.21655	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	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.6
57.03437	12.2
57.98582	1.0
59.04991	1.8
61.02931	13.0
65.03944	2.0
69.03062	1.8
69.03429	25.1
70.06599	1.3
70.95901	1.1
71.01369	3.4
71.05012	1.6
73.02919	72.7
74.03249	1.6
77.78270	1.0
79.05496	1.5
81.03414	4.2
81.07063	1.7
85.02905	65.5
87.04469	3.9
91.03944	3.3
91.05482	100.0
92.05819	1.9
95.04990	1.3
95.08564	1.1
97.02895	65.1
99.04449	3.7
103.03941	2.7
105.01854	1.0
105.07042	6.2
109.02872	5.4
113.58153	1.2
115.03127	1.5
115.03934	27.3
117.07022	2.3
123.04443	2.4
124.05171	1.0
127.03915	24.1
129.07022	3.4
131.08592	2.1
132.06674	1.3
133.03957	1.3
133.04967	30.3
133.06442	5.9
137.05983	4.0
145.04970	31.0
145.06302	2.4
145.06534	2.5
147.04532	1.2
149.05983	2.6
150.07715	5.2
150.08937	0.9
153.05496	1.1
155.07021	10.1
157.06503	2.5
159.08134	1.6
161.04454	3.1
163.06038	14.7
175.07536	1.3
187.07605	2.6
189.89256	1.1
193.04938	1.1
195.06464	1.3
197.08151	1.1
199.05991	2.2
205.08640	4.6
217.08669	3.0
219.05991	0.9
223.06026	4.1
223.13304	1.4
235.09732	3.0
241.07057	5.9
253.10750	5.5
259.08142	9.6
277.09308	2.2
284.97305	1.1
288.14423	1.6
293.14969	2.0
295.10318	4.9
307.79861	1.0
360.14853	2.4
378.15814	1.6
402.19241	2.8
420.19287	12.6
420.24542	4.0
421.19803	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	420.2016
Annotation	roquefortine F
Peak:m/z	Relative Intensity
50.60845	0.4
50.69971	0.3
55.01882	0.4
55.05510	0.6
58.30773	0.4
61.10944	0.3
62.30311	0.3
65.03938	0.3
67.05507	2.5
68.67806	0.4
69.03432	0.6
69.13184	2.4
71.04991	1.2
79.05482	2.0
80.05017	1.5
81.03429	0.3
81.07053	1.4
83.01347	1.3
83.04967	0.6
85.06505	0.5
91.05471	2.6
93.07053	1.5
95.04971	1.1
95.08579	0.7
97.06553	0.5
99.04448	0.9
105.07036	1.3
106.06567	2.7
107.04962	1.3
108.08125	0.4
109.06515	1.6
115.05489	0.5
117.07016	1.1
118.06573	0.5
119.04916	0.8
119.08551	0.8
120.08163	0.5
121.06511	0.7
122.09685	0.7
123.08091	0.7
126.09216	0.4
127.03909	1.8
128.06204	0.5
129.07007	1.1
130.06538	0.9
131.08575	1.0
132.08083	0.8
133.06494	0.9
134.09642	1.3
135.04420	0.5
136.07587	0.4
137.05992	0.7
139.07483	0.5
143.08554	0.6
144.08148	0.4
145.06509	0.7
145.10085	0.5
147.07985	0.6
151.03955	0.6
151.07565	0.6
152.10703	1.2
155.03380	2.0
155.07051	1.1
155.08502	0.5
157.06416	0.5
157.10083	0.6
159.08054	0.9
159.11613	0.5
160.11208	0.4
161.09561	0.6
163.07571	0.7
165.05478	1.5
167.07095	1.3
167.08533	0.4
170.11664	0.8
172.11211	0.9
173.05998	0.4
173.09682	0.6
176.10657	0.6
179.07060	1.1
179.10663	0.5
183.06503	2.1
185.09558	0.8
187.11264	0.4
189.09117	0.4
190.12253	1.0
194.11505	0.5
195.06505	0.7
195.08066	0.5
200.10786	0.5
201.09132	0.9
205.08473	0.5
207.06543	0.8
218.11801	1.9
220.13411	0.5
236.12865	3.9
237.13182	0.4
247.09717	0.8
256.13300	0.5
261.11212	2.2
263.09161	0.9
271.09689	0.6
273.11249	2.7
274.14578	0.4
290.13870	0.7
300.31750	0.4
308.14862	0.9
316.09021	0.4
384.18127	0.6
402.19171	1.1
420.20163	100.0
421.20538	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	420.2015
Annotation	roquefortine F
Peak:m/z	Relative Intensity
53.03950	0.6
55.01851	1.2
55.05512	0.8
57.03416	0.8
59.04995	0.4
61.02902	0.6
65.15085	0.3
65.40707	0.4
67.05507	2.4
68.05005	0.4
69.03434	2.4
69.07070	0.6
70.06580	1.1
71.04968	1.6
73.02898	1.6
79.05483	1.9
80.04993	1.3
81.03406	0.6
81.07026	1.7
82.06549	0.5
83.01319	1.0
83.04959	0.5
83.85463	0.5
84.08140	0.6
85.02882	1.2
85.06547	1.0
86.09661	0.5
87.04448	0.7
91.05477	3.3
93.07003	1.5
94.06553	0.8
95.04978	1.9
95.08575	0.5
96.04477	0.4
97.02853	1.6
99.04406	1.2
106.06553	2.8
107.04913	1.2
107.08623	0.9
108.08057	1.0
109.06475	1.8
110.06010	0.7
111.08041	0.6
112.07604	0.5
115.03951	2.3
117.06998	1.0
118.06524	0.8
119.04922	1.1
119.08527	0.8
119.38723	0.4
120.08044	1.2
121.06451	0.9
121.10146	0.4
122.05949	0.5
122.09677	3.1
122.61175	0.4
123.04349	0.5
123.08095	0.6
125.05959	0.6
126.09113	0.9
127.03864	1.7
129.06963	0.9
130.06520	0.9
131.08528	1.0
132.08093	1.0
133.04916	1.2
133.06433	0.8
133.10057	0.5
134.09639	2.0
135.07977	1.2
135.10341	0.5
136.07486	0.5
137.05977	3.2
137.09497	0.6
139.07576	0.7
145.04967	0.6
145.10028	0.5
146.09583	0.6
147.04411	0.7
147.07947	0.6
148.07515	0.5
148.24997	0.6
150.09151	1.0
151.03873	0.7
151.07509	1.1
152.10645	0.8
155.03346	1.6
155.06976	1.4
155.08470	0.4
157.10054	0.6
159.08023	1.1
160.07483	0.5
160.11159	1.2
162.12735	0.5
165.05466	2.2
167.06982	1.2
168.10136	0.5
169.10072	0.5
170.11705	0.8
172.11185	0.5
173.09608	0.6
175.07494	0.8
176.10722	0.4
177.09052	0.4
178.12201	0.7
179.06960	1.2
183.06421	2.1
183.07927	0.7
185.09509	0.6
187.07523	0.5
189.09154	0.5
191.07042	0.7
192.13773	0.6
195.06351	0.5
198.16847	0.4
200.10684	0.5
205.08493	0.6
207.06392	0.9
211.07607	0.5
213.08951	0.4
218.11685	2.6
219.10205	0.5
220.13297	0.8
221.11707	0.5
236.12862	4.3
243.10362	0.5
247.09538	1.1
261.11057	1.4
263.08948	1.0
266.17422	0.7
273.11017	1.2
275.12653	0.5
276.15738	0.8
289.31760	0.4
290.13611	1.3
294.20462	1.2
308.14703	1.4
347.12299	0.4
371.02515	0.5
384.17801	1.1
388.21106	0.6
402.18921	3.2
420.19809	100.0
421.14630	0.7
421.19992	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	420.202
Annotation	roquefortine F
Peak:m/z	Relative Intensity
53.13481	0.4
55.01864	0.9
55.05514	2.3
56.05031	0.7
57.07083	2.4
57.99241	0.4
65.03946	0.5
67.04256	0.5
67.05505	5.2
68.05030	1.0
69.03436	2.3
69.07065	4.2
70.02977	0.6
70.06582	1.4
71.04979	1.6
71.44653	0.5
79.05494	2.1
80.05013	1.7
81.03413	1.4
81.07059	3.2
82.06586	13.2
83.01353	1.1
83.08598	0.5
85.06551	0.7
91.05476	2.6
93.07059	2.5
94.06580	2.2
95.04961	2.9
95.07369	0.9
95.08604	1.9
96.04523	0.7
96.08133	1.5
97.02895	0.6
98.09679	2.9
99.04446	2.0
105.07032	1.2
106.06541	0.6
107.04942	1.0
107.08580	1.1
108.04430	0.7
108.08167	0.5
109.06502	1.3
109.10168	2.2
109.14622	0.5
109.24217	0.5
110.06050	7.4
110.09685	0.5
111.08064	0.6
113.65826	0.4
115.05452	0.7
117.07038	0.9
118.06532	0.5
119.08556	1.1
120.08089	0.8
121.06494	1.9
122.06030	0.5
122.09690	1.9
123.04440	1.0
123.08069	0.8
123.10497	0.5
124.07583	2.3
124.11260	1.0
125.06017	0.8
125.09664	0.8
126.09164	5.0
127.03925	1.8
127.07533	0.6
128.06204	0.6
129.05499	0.7
131.07365	0.4
131.08505	0.6
133.06459	0.7
133.10059	0.4
134.06052	0.7
135.08028	0.8
135.11629	0.5
136.11224	1.4
137.05963	1.2
138.09171	0.7
138.12782	27.2
139.07596	0.5
139.13084	1.0
140.10699	0.8
141.05473	0.6
143.08553	0.7
146.06059	0.6
147.08037	0.8
148.07576	0.5
149.05974	1.0
151.03961	2.3
152.10707	2.0
155.03410	6.9
155.07071	1.2
157.10106	0.5
159.08023	0.6
161.06006	0.7
162.09068	0.4
162.12810	1.2
163.07498	0.4
164.07094	0.5
164.10706	0.6
165.05458	1.2
166.12279	69.7
167.07068	0.5
167.12642	2.3
173.09570	0.6
174.12872	0.4
178.12234	0.9
181.08617	0.8
183.06549	3.1
187.11252	0.5
189.09238	0.6
189.11369	0.5
190.12213	0.9
191.07082	1.1
193.12268	0.9
200.14313	0.5
201.09203	0.5
203.07045	0.6
204.13864	0.8
205.12184	0.6
208.13313	0.7
209.08060	0.6
218.11748	0.8
220.13301	1.4
228.13831	0.8
235.09718	0.6
236.12793	2.0
236.16492	0.5
236.87123	0.4
237.07533	0.5
237.13301	0.4
238.08534	0.4
238.14259	2.1
244.13383	0.5
246.14915	1.6
255.08643	6.5
256.13382	0.7
264.15884	1.3
274.14432	1.7
292.15283	1.1
318.13409	0.5
322.16516	1.1
329.21094	1.6
336.14432	0.5
338.96457	0.6
374.19714	1.3
384.17917	0.9
388.21115	0.5
389.21637	0.9
392.20706	0.9
402.19189	4.8
403.24649	1.1
404.20663	3.8
420.20145	100.0
421.20541	8.8
421.25943	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.202
Annotation	roquefortine F
Peak:m/z	Relative Intensity
55.01858	1.4
56.96567	0.9
58.77274	0.4
59.60069	0.3
64.63834	0.4
67.05522	0.7
69.03432	4.4
69.46434	0.3
70.06601	0.8
71.04985	1.0
71.45093	0.4
79.05491	1.2
80.05000	0.5
81.03412	1.0
81.07055	0.8
81.81754	0.4
85.02906	2.8
91.05489	1.6
93.07043	1.1
94.06560	1.0
95.04971	0.8
96.08137	0.7
97.02888	1.0
97.06535	0.6
98.97600	1.2
104.99362	0.5
107.04958	3.4
107.08586	0.4
108.08115	1.3
109.02895	0.7
109.06474	0.6
111.08105	0.5
113.02374	1.2
115.05439	0.3
116.98544	0.5
117.07066	0.4
118.06490	0.5
119.08636	0.4
120.08122	1.1
121.06488	0.9
122.09662	1.1
123.08084	0.7
124.03951	0.6
124.07597	0.5
125.05999	0.8
126.09175	0.4
127.03913	1.3
129.06978	0.5
131.07329	0.5
131.08617	0.4
132.08093	1.4
133.06497	1.6
134.09660	1.5
136.07570	1.0
136.11166	0.7
137.06017	2.0
139.03897	0.6
143.08231	0.5
144.08145	0.6
145.04933	0.7
146.09642	2.8
148.07585	0.5
148.11285	0.5
149.05983	0.6
150.09132	2.8
151.03868	0.4
151.07584	0.5
152.10689	0.6
153.01796	0.6
153.24156	0.4
154.12273	3.0
157.10020	0.4
158.09669	0.6
158.83890	0.4
158.99651	0.5
160.07597	0.7
160.11124	0.8
161.05983	2.2
162.09157	0.7
163.02846	0.8
164.10765	0.6
167.07047	0.6
168.10188	0.7
172.11234	0.6
174.09264	0.5
174.12813	1.3
176.10718	0.8
185.09697	0.7
186.09140	0.5
186.12732	0.4
188.10741	0.8
190.12299	1.0
192.13812	1.0
193.04936	0.6
193.08643	1.2
200.10574	0.4
202.12354	2.2
204.13896	0.5
209.08154	0.6
212.10733	0.5
216.10240	0.4
216.13879	0.6
218.11925	0.4
219.01836	0.8
219.06558	0.4
220.13306	6.8
222.14983	0.4
227.09343	0.4
232.13327	0.6
236.12848	0.8
237.02829	1.0
242.11729	0.5
244.13362	1.7
246.11282	1.2
246.14856	0.5
251.09096	0.6
252.13690	0.4
260.16623	0.6
274.14178	0.4
288.15924	0.4
291.12207	1.2
304.19128	1.3
307.06656	0.5
307.10287	2.1
314.13834	0.7
316.15561	0.7
325.08029	1.1
332.18564	15.4
333.18927	0.9
346.20135	0.5
350.33887	0.4
356.18799	0.4
374.19681	4.2
384.17905	0.6
386.92596	0.4
392.20837	1.7
402.19141	5.0
404.20947	0.4
420.20163	100.0
421.12982	20.2
421.20480	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	420.2018
Annotation	roquefortine F
Peak:m/z	Relative Intensity
67.05504	0.9
69.03442	3.1
69.57726	1.0
70.06577	0.4
71.04990	1.0
73.91220	0.3
74.68676	0.3
79.05481	1.1
80.05019	0.6
81.07069	0.7
83.01356	0.6
83.12928	0.3
91.05483	2.1
93.07057	1.0
95.04960	0.7
96.08148	0.9
97.06553	0.6
105.07051	0.7
106.06577	0.5
108.08134	0.8
115.05428	0.3
117.07048	0.7
119.08613	0.9
120.08118	0.8
120.87966	0.4
121.06516	0.5
126.09158	0.7
128.06262	0.3
129.06995	0.4
131.08521	0.4
132.08139	0.7
133.06508	0.4
134.09662	1.4
135.04414	0.6
136.11238	1.0
137.06001	0.4
138.20538	0.4
139.03879	1.0
142.07864	0.4
143.08514	0.4
145.06483	0.6
146.09612	0.4
150.09097	0.4
152.10745	1.1
153.01831	0.9
153.05573	0.4
154.12279	5.6
157.06531	0.4
159.08092	0.5
160.07596	0.8
160.11263	1.0
161.09630	0.5
164.10619	0.7
172.11223	0.4
174.12766	0.7
179.07042	0.4
181.05000	0.4
184.11201	0.6
185.09668	0.7
186.10495	0.4
192.13860	1.5
193.05060	0.4
202.12242	1.7
203.07100	0.4
213.09146	0.5
219.06525	0.7
220.13345	6.5
247.09438	0.4
261.23065	0.4
273.11273	0.6
277.10709	0.4
279.08633	0.6
291.12198	3.4
308.14844	1.0
355.15353	0.5
374.19824	0.5
384.17917	0.6
402.18997	2.7
420.20181	100.0
421.20496	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	420.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
55.05509	1.2
57.31826	0.5
67.05512	2.4
69.03420	2.7
70.02914	0.6
71.05001	2.3
73.02929	1.2
79.05489	3.7
80.05035	2.4
81.03419	1.1
81.07062	2.4
82.06599	0.7
83.01344	1.7
83.04985	0.9
84.08142	0.6
84.20823	0.5
85.02896	3.5
91.05470	2.7
93.07040	2.2
94.06548	0.7
95.04965	2.0
95.08597	0.9
97.02908	1.4
97.06519	0.6
99.04456	1.8
103.05451	0.5
105.01859	0.8
106.06564	3.4
106.07191	0.5
107.04938	1.0
107.08588	1.5
108.08141	0.7
109.02876	1.0
109.06512	1.6
110.06059	0.7
111.08112	0.8
113.06028	0.8
117.07024	1.4
118.06590	1.2
119.04948	1.0
119.08609	0.6
120.08139	0.7
121.06508	1.6
122.09685	1.2
123.04424	3.0
123.08084	1.0
125.05984	0.7
127.03928	4.1
129.07016	1.1
130.06528	1.4
131.08589	0.9
132.08102	1.3
133.06502	1.3
133.10045	0.5
134.05995	0.9
134.09625	2.8
134.79523	0.4
135.04427	0.7
135.08043	1.4
136.07573	1.0
136.11223	0.6
137.05992	1.5
137.09645	0.5
139.07643	0.6
141.05446	0.5
142.07806	0.7
144.08044	1.1
145.05002	1.3
145.06421	1.0
145.10120	0.9
146.09631	1.1
147.07983	0.7
148.07555	0.7
148.11221	1.7
149.05980	0.8
149.09654	0.5
150.09140	1.6
151.03891	1.3
151.07570	1.5
152.10724	1.3
153.05544	0.6
155.03371	2.4
155.07019	8.8
157.06508	0.6
157.10149	0.9
158.09636	0.6
159.08040	0.8
160.07666	0.7
160.11249	0.8
162.09137	1.1
162.99089	0.5
165.05534	2.4
167.07048	1.5
168.10127	0.6
169.08749	0.7
170.11784	1.2
171.08002	0.5
172.11160	1.2
173.09618	0.9
175.07512	0.7
176.10805	0.6
179.07051	2.0
179.10580	0.7
182.11746	0.8
183.06546	2.3
186.09061	0.6
193.08633	0.6
194.11766	1.1
195.06636	1.2
199.07463	0.7
200.10728	0.7
207.06514	1.2
208.13419	0.6
213.09026	0.7
218.11752	3.3
220.13374	0.8
225.07634	0.8
232.58733	0.5
234.14825	3.1
236.12798	6.1
245.08029	0.9
246.14827	1.0
247.09616	1.0
248.16422	2.4
249.06029	0.6
250.17946	0.6
260.16483	2.0
261.11264	1.5
263.09158	1.8
273.11194	1.6
274.14325	1.2
275.12860	1.0
290.13760	1.0
300.12665	0.5
308.14966	1.9
346.20108	7.8
349.18979	0.6
384.17877	0.9
402.18591	2.7
402.23535	0.9
420.19446	100.0
420.24368	24.7
421.19852	8.6
421.25085	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2018
Annotation	Torrubiellone A
Peak:m/z	Relative Intensity
53.03936	0.7
55.01868	1.5
55.05502	1.4
57.03407	0.7
57.07068	3.7
58.66119	0.6
59.05026	0.6
64.65696	0.6
67.01838	0.8
67.05498	5.4
69.03442	3.2
69.07066	1.2
69.42637	0.6
70.06577	0.7
71.04985	2.2
71.91849	0.6
79.05493	5.1
80.05017	0.7
81.03411	1.8
81.07060	4.6
83.01326	2.4
83.04972	1.6
84.04456	0.7
85.02889	2.0
85.06532	1.2
86.06049	2.7
91.05484	6.9
93.07036	2.6
94.06583	0.7
95.04990	3.6
95.08603	2.0
96.08160	1.0
97.06535	1.2
98.06096	0.6
98.22705	1.6
99.04433	2.6
105.01866	0.7
105.07024	6.0
106.06551	2.3
107.04935	0.9
107.08569	2.0
108.08121	1.0
109.06522	3.5
109.10172	0.8
111.04430	1.6
111.08095	0.9
113.05915	0.9
117.06984	1.5
118.06544	1.2
119.04906	0.7
119.08566	1.1
120.08093	2.4
121.06485	1.4
121.10085	1.1
122.09702	0.9
123.04417	0.8
123.08039	2.9
123.40946	0.7
124.07542	0.7
125.09621	0.6
127.03896	6.2
128.06279	0.8
129.05429	0.7
130.06523	1.1
131.08568	1.5
132.08092	0.9
133.06493	0.8
133.10120	4.1
134.06017	1.6
134.09613	1.1
135.06790	0.8
135.08025	1.3
135.11722	0.8
136.07567	2.6
136.11183	1.1
137.05962	2.2
137.13228	1.7
139.07584	0.9
145.06425	0.8
145.10117	0.9
146.05986	1.0
146.09657	1.1
147.08032	1.0
148.07556	2.5
150.09143	2.6
150.12720	0.9
151.03906	2.0
151.07539	1.6
152.10667	3.5
153.05446	1.1
155.03371	3.9
155.06981	3.4
157.10194	0.8
159.02948	0.8
159.08003	0.9
160.11197	1.1
161.09608	3.2
162.09158	3.0
162.12772	2.8
164.07135	0.7
165.05475	2.9
167.07043	1.6
169.08623	1.5
172.11140	0.9
173.09683	0.7
174.09119	0.9
176.07056	0.8
176.10718	2.0
177.09206	0.7
178.08672	3.8
178.12265	5.7
179.07088	0.7
180.10193	2.4
183.06534	6.5
185.09555	0.6
186.09229	0.8
187.07578	0.8
190.08629	0.9
190.12241	6.2
192.10229	1.5
192.13878	1.6
195.06566	0.8
197.08099	13.2
202.12224	1.5
204.10182	2.0
204.13808	1.9
205.14067	1.1
216.13823	1.1
218.11877	1.5
218.15404	7.0
219.15778	0.8
220.13266	4.7
228.13850	1.5
236.12697	1.4
246.14888	6.7
248.16586	0.8
256.13425	0.9
264.16006	0.9
274.14401	2.7
290.10367	1.1
290.13669	1.6
310.14297	1.3
332.14865	1.2
338.17545	0.8
346.20023	1.9
356.18500	1.5
360.14398	14.8
361.14978	1.3
374.19611	16.7
375.19931	1.4
384.18033	1.8
402.19116	74.5
403.19421	4.6
404.20749	2.8
420.20090	100.0
421.20435	9.0
421.25604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05511	0.8
57.03426	0.5
57.07074	1.6
61.02919	0.8
63.52634	0.5
67.05507	3.9
69.03435	3.7
69.07076	4.9
69.43737	1.9
69.44102	1.1
70.06598	0.7
79.05493	8.1
81.03425	1.9
81.07057	100.0
82.07395	1.8
85.02901	7.8
87.00830	3.6
93.07036	1.1
95.04948	0.5
95.08604	19.3
97.02907	5.5
99.04453	1.3
105.01871	9.2
109.02885	2.5
109.10185	1.4
127.03920	9.5
137.13252	22.6
138.13618	0.6
145.04947	6.0
154.15950	0.6
159.02888	1.4
185.37006	0.4
193.05040	0.8
231.04919	3.9
249.06209	1.7
284.09763	0.8
338.96774	1.2
345.72415	0.5
346.20044	0.6
406.68509	0.6
420.23438	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01885	0.7
55.05505	0.7
57.03451	0.6
57.07078	1.8
57.49532	0.4
61.02902	0.5
67.05501	2.9
69.03432	1.9
69.07066	2.6
69.69604	1.6
76.22642	0.4
79.05500	6.6
81.03426	1.6
81.07061	100.0
82.07404	2.0
84.94071	0.4
85.02905	6.5
86.74675	0.5
87.00839	2.5
95.08614	15.0
97.02901	4.9
99.04460	1.3
104.99255	0.7
105.01865	6.4
107.08567	0.5
108.04469	0.5
109.02901	2.0
109.10152	0.8
127.03921	6.3
137.13261	23.3
138.13649	0.9
145.04979	5.8
155.07037	0.5
159.02945	1.1
165.05440	0.5
183.06607	1.2
217.40376	0.5
231.05052	2.7
241.40755	0.5
249.06177	1.0
284.09772	0.9
338.96881	1.3
394.49982	0.5
402.19083	2.4
420.23343	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29583	0.2
53.03941	1.4
55.05509	0.9
57.07069	0.9
64.06982	0.3
65.03909	0.3
66.27621	0.2
67.05508	2.9
69.03443	1.3
69.07058	1.3
71.08629	0.3
73.02951	0.3
79.05492	6.8
80.05827	0.2
81.03439	1.3
81.07056	100.0
82.07387	1.8
83.01356	0.4
85.02902	3.5
87.00816	1.5
91.05514	0.3
92.29591	0.2
93.07008	0.4
94.60954	0.2
95.04974	0.4
95.08603	13.0
97.02889	1.7
98.22610	0.5
99.04455	1.0
105.01863	2.5
105.07010	0.4
108.04477	0.4
109.02868	1.2
109.10159	0.7
119.08600	0.3
126.05456	0.3
127.03922	3.5
137.13252	20.1
138.13623	0.6
145.04956	2.1
148.07610	0.3
159.02924	0.7
162.12827	0.4
174.12907	0.3
200.89291	0.3
230.15445	0.6
231.04996	1.3
246.14888	0.4
248.16545	0.4
276.15811	0.3
402.19043	1.1
404.20740	0.7
420.19675	5.1
421.20819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.238
Annotation	Aranorosin
Peak:m/z	Relative Intensity
50.97601	0.3
53.03944	0.3
55.01874	1.2
55.05502	0.9
67.05492	0.6
68.05025	0.3
69.03420	2.8
69.42796	1.1
70.06592	3.6
71.04990	1.1
79.05491	1.0
80.05004	1.5
81.07054	2.0
82.06555	0.4
83.04981	0.4
84.08145	1.3
85.06578	0.4
91.05492	0.5
93.07048	1.0
94.06564	1.4
95.04957	0.4
95.08622	0.6
96.08133	1.0
97.02879	0.3
97.06531	0.4
97.08906	0.4
98.06011	0.2
98.23479	0.5
99.04455	0.9
103.65594	0.2
104.34415	0.2
107.04974	0.5
107.08601	0.7
108.08131	0.5
109.06467	0.4
109.08888	0.3
110.09679	0.6
110.87045	0.2
111.08079	1.7
115.96526	0.3
117.07057	0.3
119.08573	0.5
120.08132	0.4
122.09666	5.5
123.08093	1.1
124.07565	0.3
124.11198	0.6
125.05991	1.7
126.09136	0.4
127.03906	2.3
128.07111	0.2
133.06523	0.3
133.10118	0.3
134.09645	0.7
136.11179	1.3
137.05994	2.2
139.07512	0.4
141.05460	0.6
145.10104	0.3
146.09628	0.3
147.11746	0.3
148.11182	0.5
150.09148	2.6
152.09671	0.2
152.10678	1.3
154.12332	0.6
160.11147	0.5
162.09100	0.3
162.12817	0.7
164.10776	0.3
164.14395	0.3
165.09108	0.3
166.12210	0.3
166.16035	0.4
167.07037	9.7
168.07367	0.3
168.10176	1.7
178.12425	0.3
182.11749	5.4
183.11957	0.4
184.13249	0.5
192.13808	0.4
194.15439	0.3
200.14406	0.2
202.12283	0.4
218.15483	0.4
221.11713	0.5
233.11876	0.3
234.14928	0.7
235.15611	0.4
236.16371	1.6
251.12730	2.2
264.16843	0.4
264.19531	2.1
266.17429	0.4
272.39523	0.2
274.18094	0.4
276.16037	0.6
292.19046	9.9
293.19440	0.7
294.20615	1.2
322.20053	1.9
346.20035	2.1
351.53836	0.3
388.21213	0.4
402.22940	0.4
420.23837	100.0
421.24164	9.6
425.15686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2383
Annotation	Aranorosin
Peak:m/z	Relative Intensity
52.18959	0.5
54.43756	0.4
55.01875	1.2
56.05046	0.4
59.05018	0.7
67.05508	0.9
68.05037	0.5
69.03425	2.1
70.06593	1.5
79.05500	1.8
80.05022	3.0
81.03416	0.7
81.07055	7.0
82.06577	1.8
82.07008	0.4
83.07418	0.5
84.08149	1.8
86.06079	0.4
91.05490	1.3
93.07054	1.6
94.06568	2.3
95.04973	0.8
95.07410	0.6
95.08607	1.2
96.08124	2.4
97.06568	0.7
102.90391	0.4
106.06567	1.4
107.08647	0.8
108.08121	2.8
109.06536	2.1
109.08893	0.9
111.04493	0.4
112.07607	0.7
117.07006	0.6
119.08595	0.9
120.08099	1.7
121.08900	0.6
122.09676	3.7
123.04462	0.8
123.08093	0.6
124.07626	1.1
124.11207	2.2
125.06021	1.6
125.09621	0.9
126.09142	2.8
130.10268	0.4
132.08086	0.7
134.09663	5.4
135.08075	0.4
136.11224	1.6
137.05994	6.3
137.11989	0.5
145.10106	0.7
146.09668	1.2
148.11209	3.8
150.03481	0.4
150.09161	4.0
150.12804	1.0
152.10701	17.4
153.11034	1.2
154.12325	0.9
157.10081	0.7
159.08124	0.5
160.11223	1.1
162.09109	0.7
164.10728	3.4
168.10243	1.2
174.12732	0.9
176.10756	0.6
178.12321	1.8
179.55333	0.5
182.11786	3.3
184.13332	0.7
192.13879	1.6
196.13336	1.7
198.14961	0.5
212.12819	0.6
214.14371	4.3
222.14948	0.9
236.16487	4.2
248.16322	0.8
264.15942	0.6
314.17554	4.7
322.19119	0.8
328.12350	0.5
346.19141	0.5
378.94379	0.5
383.60657	0.5
388.21143	4.2
389.22052	0.4
402.22769	10.1
403.22946	0.9
420.23746	100.0
421.24100	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	420.2384
Annotation	Aranorosin
Peak:m/z	Relative Intensity
53.03960	0.3
55.01866	1.1
55.05512	0.6
56.05033	0.6
58.06597	0.5
63.33103	0.2
65.03973	0.2
67.05505	1.0
67.60854	0.2
68.05032	0.6
68.05835	0.2
69.03430	1.9
70.06592	2.3
70.95645	0.3
71.04960	0.3
71.06921	0.5
76.09644	0.2
79.05483	2.1
79.92126	0.2
80.05021	2.2
80.05813	0.3
81.03467	0.5
81.07061	6.3
82.06591	1.0
83.04997	0.6
83.07370	0.5
84.04492	0.3
84.08144	2.1
86.06068	1.7
89.05254	0.2
91.05478	1.4
93.07032	1.1
94.06546	1.3
95.04964	0.5
95.07376	0.3
95.08617	1.0
96.08138	2.3
97.02863	0.6
97.06566	0.5
99.04487	0.3
102.35242	0.2
106.06579	0.7
106.07266	0.2
107.07347	0.3
107.08612	1.0
108.08121	2.1
109.06539	2.1
109.08904	0.6
110.06062	0.4
110.09702	0.7
111.04451	0.3
112.07587	0.7
112.10367	0.3
117.07017	0.4
119.08586	0.7
120.08134	0.9
121.06501	0.3
122.09681	3.4
123.04433	0.5
123.08054	0.6
123.10031	0.7
124.07564	0.5
124.10483	0.3
124.11227	1.7
125.05984	1.6
125.09660	0.8
126.09144	2.1
129.07013	0.3
131.08534	0.5
132.08096	0.6
133.06512	0.3
134.09656	6.2
134.10605	0.5
135.08046	0.5
136.07561	0.3
136.11220	1.4
137.05965	3.8
137.11987	0.4
138.09146	0.4
142.07802	0.3
145.10136	0.3
146.09624	0.6
147.08038	0.4
147.11707	0.4
148.11234	2.4
149.06001	0.3
150.09149	2.7
150.12775	0.7
151.07532	0.4
151.09523	0.5
152.10709	12.4
153.09113	0.3
153.10986	0.3
154.12318	0.6
157.10147	0.6
160.11224	0.9
162.09189	0.4
162.12793	0.4
164.10689	2.2
164.14407	0.5
168.10229	1.2
169.10429	0.4
174.12823	0.8
176.10699	0.4
178.12270	1.5
180.10194	0.4
181.08467	0.3
182.11787	2.9
183.12157	0.9
184.13365	0.9
192.13858	0.8
194.11754	0.4
196.13315	1.1
203.16365	0.3
212.12665	0.5
214.14384	3.2
219.10268	0.4
220.13458	0.3
226.80470	0.2
234.14790	0.3
236.16428	3.3
237.16795	0.8
238.17123	0.9
246.14868	0.5
247.15279	1.3
248.10039	0.5
248.15591	1.0
249.10413	0.2
250.11656	0.4
264.16040	0.4
264.19211	0.3
265.16721	0.6
266.17636	0.4
266.20233	0.3
272.16595	0.3
276.16055	0.3
289.16666	0.3
292.18988	0.3
314.17508	2.8
320.18039	0.7
321.18777	1.3
322.19153	3.7
344.18372	0.5
345.18945	0.6
346.19162	3.2
350.18451	0.2
388.21112	2.5
402.22839	5.5
403.23096	0.4
420.23355	100.0
421.23993	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	420.2385
Annotation	U 62162
Peak:m/z	Relative Intensity
53.03940	1.3
55.01875	2.8
55.05526	1.4
56.05039	1.4
57.03432	1.9
57.10324	0.6
59.05004	1.2
61.02924	1.9
67.05508	2.7
68.05027	2.1
69.03432	16.8
69.07072	0.7
69.18060	3.4
70.06598	3.3
71.04991	2.4
73.02917	1.6
77.03938	0.6
79.05498	6.3
80.05022	4.9
81.03423	8.5
81.07060	12.2
82.06579	3.7
83.01342	1.3
83.04984	1.4
84.08150	3.2
85.02906	24.8
85.06537	1.1
86.06082	0.9
87.04453	4.5
90.03445	2.8
91.05486	3.6
93.07063	3.0
93.60311	0.6
94.03571	0.6
94.06570	3.8
94.84052	0.6
95.04990	2.5
95.08623	2.6
96.08132	3.9
97.02887	8.4
97.06534	0.9
97.08934	0.9
98.09687	0.8
99.00011	1.4
99.04472	3.7
100.07636	1.0
101.02364	0.8
103.03979	0.9
106.06545	2.5
107.04977	2.4
107.08606	2.0
108.04518	0.9
108.08131	4.8
109.02889	5.0
109.06510	6.1
109.08923	1.4
109.10162	2.0
110.09723	1.0
111.04419	0.7
111.08092	1.0
112.07596	0.9
115.03938	11.0
117.06972	1.4
118.06533	0.9
119.08599	2.0
120.08124	3.5
121.06517	1.0
121.08909	1.4
122.09671	6.4
122.25188	0.6
123.04462	1.5
123.08105	0.9
124.07600	2.1
124.11226	3.6
125.05998	3.2
125.09637	0.8
125.22063	0.7
126.01076	44.1
126.05527	3.8
126.09164	4.6
127.01859	0.7
127.03906	15.5
129.07004	1.0
131.08546	1.5
132.08112	2.0
133.04996	1.6
134.09656	9.3
135.08009	1.1
135.10458	0.9
136.07645	1.2
136.11218	4.5
137.05989	9.0
137.09660	0.9
137.11969	0.9
138.09157	1.5
139.07526	0.8
142.07788	1.4
144.02116	95.7
144.08162	1.0
145.02472	2.5
145.04959	15.1
145.06508	1.4
145.10143	1.6
146.09653	2.5
147.08087	1.1
148.07573	0.9
148.11215	6.2
149.05940	1.4
150.09143	6.4
150.12827	1.6
151.07533	0.8
152.10713	28.0
152.11938	1.5
153.09053	0.9
153.11073	0.8
154.12270	2.1
155.03383	0.7
155.08549	1.0
157.04965	0.8
157.10083	1.2
158.09619	1.0
159.08064	1.0
160.11249	2.4
162.09174	1.3
162.12871	3.5
163.06032	0.9
163.07494	0.8
163.13458	0.7
164.10722	5.7
165.05547	0.8
165.11525	1.0
168.10254	1.1
171.08076	0.8
173.09543	0.9
174.12782	2.1
175.07469	0.8
176.10735	1.6
176.14452	1.0
178.12291	3.3
180.10222	1.4
182.11766	4.9
183.06624	0.8
185.09607	0.8
186.03215	1.0
186.12788	0.8
188.14354	0.7
189.09109	0.8
192.13817	1.8
196.13327	2.1
198.14893	0.9
201.09192	1.4
202.12291	0.8
202.16107	0.7
204.13864	0.9
212.00597	0.7
213.09077	0.8
214.14391	5.9
218.11832	1.6
219.10274	1.4
220.13353	1.3
222.14926	1.3
234.14977	0.7
236.12852	1.0
236.16504	6.4
247.09680	0.8
248.16440	1.4
259.08041	5.7
260.16559	0.9
261.10950	0.9
263.09024	0.8
264.15924	1.0
266.17584	0.7
270.05197	0.8
273.11334	1.2
288.15778	1.0
290.17426	0.7
291.12350	1.2
314.17505	7.7
315.17999	0.8
346.19055	1.0
388.21222	7.9
389.21658	1.6
402.22925	15.9
403.22974	1.6
420.10846	4.1
420.19641	51.8
420.23721	100.0
421.19897	3.2
421.24084	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	421.1112
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
50.83740	0.9
52.31611	0.9
53.00915	1.0
54.40716	1.0
56.96548	1.2
69.03423	1.3
78.95615	1.3
85.92638	1.2
94.93016	5.4
98.97543	1.1
137.43324	1.0
154.13774	1.0
200.36366	1.1
205.05508	1.7
213.10394	1.1
219.01645	1.1
220.96053	4.1
236.95625	1.1
237.02806	1.2
242.94337	1.4
258.93823	21.4
260.93015	2.5
260.95737	10.4
274.90982	1.1
307.08862	5.8
358.28836	1.0
376.90817	1.0
402.96793	8.5
420.95853	4.6
421.10971	100.0
421.20380	8.8
422.12344	6.6
422.21942	1.9
435.36005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82738	0.3
53.03942	0.7
55.01871	1.5
55.05510	4.1
56.68045	0.4
57.03437	1.2
57.07072	1.6
59.05003	1.8
61.02927	0.8
67.05505	0.7
69.03432	5.8
69.07068	7.8
69.52051	0.9
70.13785	0.3
71.04986	1.1
71.08632	53.6
72.08944	0.9
73.02906	0.8
73.06546	0.4
79.05489	0.7
81.03419	3.5
81.07050	1.4
83.05003	0.4
83.08619	4.2
85.02910	9.7
85.06538	0.6
87.00829	6.2
91.05502	0.6
91.57279	0.4
93.07076	0.6
95.08590	0.5
97.02897	4.9
97.06544	0.9
97.10149	1.0
98.22684	0.8
99.04452	1.4
99.08095	100.0
100.08418	1.9
105.01873	4.0
105.07024	0.7
106.42223	0.4
109.02883	3.4
115.03928	1.5
120.08085	0.6
123.07964	0.4
127.03918	6.9
128.22305	0.4
129.12761	11.5
131.08536	0.5
133.10181	0.4
136.11172	0.4
145.04942	1.7
153.11592	0.4
155.14314	4.0
157.15869	0.4
162.12769	1.6
163.03896	0.7
173.15375	33.0
174.15674	1.1
197.32672	0.4
201.03951	1.0
204.13858	0.5
213.03906	0.4
219.05026	0.5
231.04904	0.6
232.16910	0.5
247.04460	1.3
259.09619	1.3
386.19153	0.6
404.20718	6.8
405.20535	0.4
421.14407	1.3
421.20517	2.9
422.21600	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.2
55.02094	1.6
55.05296	1.1
55.05516	13.7
57.03437	13.0
57.07072	13.0
65.03957	1.4
67.05502	24.8
69.07068	27.9
69.53696	3.7
70.06600	1.2
71.04993	4.4
71.08626	3.1
79.05500	19.8
81.07061	31.4
83.04987	7.0
83.08626	8.7
85.06544	7.4
91.05478	9.6
93.07045	26.6
94.07348	1.5
95.04972	3.3
95.08605	29.1
97.06544	11.4
98.22755	2.6
98.97575	2.2
99.08152	2.3
104.99282	6.0
105.07019	8.9
107.08591	28.9
109.06525	18.9
109.10177	9.7
111.04464	8.4
111.08113	6.1
111.11747	1.3
113.06043	1.2
117.06996	1.7
119.08579	10.0
121.06493	2.0
121.10136	11.0
122.18925	1.2
123.04482	1.5
123.08076	10.8
123.11736	4.2
125.06007	7.6
131.08585	2.0
133.10115	7.2
135.08055	22.2
135.11696	19.4
137.05995	20.4
137.09607	3.4
137.13252	2.0
139.07573	1.9
143.08578	2.0
145.10110	7.2
147.11700	4.3
149.09622	4.6
149.13281	4.0
151.07549	7.6
151.11156	1.7
153.12770	4.5
157.10193	1.3
159.11710	1.9
161.09601	3.5
161.13271	2.9
163.11124	2.8
163.14784	1.3
165.09175	1.3
165.12801	5.2
167.14255	2.7
171.11690	1.6
175.11224	2.6
175.14856	1.8
177.12729	6.4
179.10695	1.5
179.14314	4.9
181.12231	8.3
191.14326	2.0
193.12253	2.7
195.13904	1.5
195.53712	1.3
198.10323	1.1
217.14343	2.3
221.19022	4.5
233.19063	1.4
235.20547	4.5
249.18617	1.7
263.20062	4.4
274.97562	3.0
277.21536	1.2
287.23642	1.4
292.98700	1.4
301.25403	1.2
303.19604	1.5
303.26797	1.7
305.24738	93.9
306.25116	7.6
318.34979	1.3
319.26309	26.6
329.24768	6.0
337.27408	1.7
338.96661	6.9
347.25809	100.0
348.26196	8.4
356.97736	2.1
365.26917	14.8
393.30066	7.2
403.28439	5.4
421.21268	2.7
421.29492	60.6
422.29807	5.2
425.56454	1.3
440.53461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
55.05512	6.3
57.03447	9.4
57.07079	29.7
66.89970	0.9
67.05513	9.6
69.03429	1.3
69.07070	10.3
69.27221	5.2
71.04999	1.2
72.93896	0.9
79.05495	6.9
80.94849	1.1
81.06631	1.4
81.07066	19.8
83.04981	2.6
83.08620	2.2
85.06544	16.5
86.04558	0.9
88.07622	1.6
88.23991	0.9
91.05491	4.2
93.07053	10.1
95.08611	13.8
97.06528	4.2
97.78797	0.9
98.97588	2.0
102.09216	1.7
104.99274	8.6
105.07018	4.9
107.08596	10.6
109.06528	11.9
109.10139	5.1
111.04435	2.9
111.08105	1.7
116.98633	1.4
119.08580	6.1
121.10143	5.8
123.08051	9.9
123.11731	1.7
125.05994	2.1
131.08559	1.5
133.10156	2.6
135.08060	12.8
135.11751	4.2
137.05975	21.7
137.06989	1.4
137.09613	2.1
139.07472	1.0
145.10185	3.0
146.05980	1.3
147.04382	1.2
147.11693	2.8
149.09663	2.7
149.13260	2.1
151.07571	6.5
151.11206	3.1
153.12833	1.4
159.11653	1.8
161.09625	2.9
161.13316	1.8
163.11304	1.5
165.09158	1.8
165.12798	6.9
175.11185	1.1
177.12773	5.7
179.14343	4.0
184.04471	3.4
191.14395	1.5
193.04965	2.4
193.12303	1.7
206.05769	1.5
207.13794	7.9
233.18983	2.8
242.76979	1.2
249.18544	1.4
262.98209	2.1
263.20081	4.2
274.97620	4.0
277.17850	1.8
291.19565	1.6
292.98560	1.4
319.26355	9.2
329.24814	3.6
329.43646	1.1
337.27469	5.3
337.30991	1.1
338.96741	10.8
339.19174	1.9
347.25812	100.0
348.26102	6.6
356.97879	2.3
365.26883	22.0
366.27112	1.3
393.30078	11.1
403.28674	2.8
421.22226	9.8
421.29446	71.5
421.78439	2.9
422.21182	1.7
422.29922	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	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01880	12.2
55.05516	18.0
56.05045	2.1
57.03434	9.8
57.07075	4.7
59.04998	2.4
65.03953	2.7
67.05511	33.7
69.03431	11.0
69.07069	56.4
69.62733	8.3
71.04998	5.3
78.36221	2.4
79.05487	19.1
79.07372	2.2
80.05038	2.5
81.03415	20.7
81.07060	59.8
83.01340	3.8
83.04980	5.6
83.08631	17.1
91.05483	15.1
93.07050	29.4
94.06585	3.1
95.04976	12.5
95.08604	30.1
97.06543	6.7
97.10160	6.1
98.22681	2.3
98.97577	5.0
99.04456	4.2
104.99294	4.5
105.07045	16.1
107.04982	5.5
107.08608	24.7
109.02888	33.4
109.06523	8.7
109.10165	42.3
111.04404	2.6
111.08093	8.7
111.11716	11.0
115.03946	15.1
117.07025	5.8
119.08585	19.5
120.08102	5.8
121.06541	8.6
121.10149	14.0
123.04446	5.2
123.08096	7.6
123.11697	25.8
125.09654	5.1
125.13270	3.4
127.03922	100.0
129.07024	2.9
131.08560	7.6
133.10139	10.4
135.08066	2.3
135.11707	16.9
136.07465	2.4
136.11284	5.1
137.09599	5.3
137.13269	7.1
139.11206	7.1
141.05457	8.4
143.08571	3.0
145.10141	4.6
147.11688	7.7
149.09660	2.8
149.13249	4.2
151.07516	3.7
151.11263	4.4
153.12740	11.4
155.07112	3.0
157.10170	4.9
159.11719	6.0
161.09712	3.0
161.13287	4.6
162.09137	2.7
162.12808	15.5
163.11172	4.1
164.14365	4.1
165.12799	3.3
167.07079	10.6
169.04993	6.1
169.08574	16.6
171.11617	2.8
173.09583	2.4
173.13237	4.8
175.11218	4.4
175.14856	4.2
177.16423	2.8
181.08511	3.1
183.10191	4.5
185.08153	4.3
189.09299	2.8
189.11151	2.4
190.12303	4.4
193.12233	3.0
195.10155	6.0
203.17931	2.7
204.13893	8.8
223.13249	3.8
229.12358	2.6
232.17036	6.3
235.13330	3.8
237.14850	8.9
238.10944	2.3
246.11188	2.8
247.13440	16.6
249.14781	16.9
251.16454	15.8
261.09656	3.2
261.14914	8.7
262.10327	3.2
263.16528	3.4
265.14371	78.7
266.14798	6.1
274.97119	2.8
275.16360	2.6
277.14493	3.1
279.15884	13.5
293.12045	4.4
311.83704	2.2
329.20981	14.5
338.96786	13.2
378.19046	6.0
385.27496	10.8
386.19473	4.5
389.14133	16.2
403.28769	33.8
404.20648	57.0
405.21149	3.8
414.88733	2.2
421.16022	19.9
421.21390	20.7
421.25787	7.4
422.16507	4.1
422.21671	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.0
56.13454	0.8
57.07083	13.9
67.05502	5.7
69.07068	6.3
70.86650	0.8
71.08635	11.6
79.05489	3.1
81.07048	8.6
83.08636	1.4
85.10174	7.2
89.06036	22.4
91.05478	2.9
93.07039	7.1
95.04940	1.3
95.08605	8.8
97.10191	1.6
98.98495	1.7
99.11739	1.4
105.07042	9.5
107.08593	10.3
109.10152	11.0
111.11739	1.2
113.13255	0.9
117.07069	1.4
119.08578	10.3
121.10145	6.4
122.07291	1.1
123.11722	1.5
131.08565	2.0
133.08618	11.9
133.10141	7.6
135.08064	2.4
135.11699	3.7
137.09618	10.9
139.07527	0.9
143.08540	0.8
145.10115	6.1
147.11702	7.6
149.09631	4.7
149.13295	2.4
151.09604	1.4
155.01082	1.2
157.10080	1.1
159.11691	6.3
161.13257	5.1
163.11226	1.7
163.14873	2.1
165.09117	100.0
166.09464	3.6
167.87233	0.9
173.13322	2.9
175.11172	1.0
175.14815	2.9
177.09093	7.7
177.11240	2.0
177.12631	1.3
179.10655	6.5
185.13321	1.6
187.11243	0.9
187.14787	4.8
189.09137	1.4
189.16359	3.1
190.09914	1.7
191.10640	3.2
195.12277	1.3
199.14854	1.7
201.16400	8.5
203.10684	2.2
203.17964	3.1
203.65062	0.8
205.12234	23.1
206.12572	1.2
213.16388	1.5
215.17960	1.8
219.13834	2.0
231.13762	2.9
233.15381	3.7
239.14899	7.0
243.21124	2.5
257.22546	1.7
301.40659	0.8
339.23352	1.2
341.26593	13.4
342.26965	1.3
346.52817	0.9
351.22858	1.1
421.30933	22.5
421.36426	1.1
422.31305	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	421.3314
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
55.05517	12.3
57.07068	7.4
58.66264	2.5
67.05508	13.2
67.39906	2.6
69.07076	16.4
69.70770	2.3
71.08619	4.4
76.86324	2.1
81.07063	17.8
81.94760	2.4
83.08612	11.9
95.08626	22.7
97.10172	6.7
106.88847	2.8
109.10191	5.9
121.10213	3.0
123.11718	4.2
139.03819	3.0
194.02681	2.5
228.78894	2.7
257.60989	2.4
292.87454	2.7
343.56375	2.5
412.78265	2.7
421.33133	100.0
422.33453	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	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.63443	1.5
53.03955	1.9
55.01881	2.2
55.05515	11.8
57.07089	8.1
61.29375	1.6
67.05507	15.0
69.07071	19.1
69.46384	6.6
71.08631	4.0
81.07055	4.1
82.97301	1.8
83.08640	11.3
86.09704	1.9
89.06031	2.8
89.75398	1.4
91.05483	5.9
93.07053	44.8
95.04967	4.4
95.08611	32.6
97.06522	2.6
97.10177	6.2
105.07032	2.1
107.08611	6.9
109.10178	2.9
111.08085	26.8
111.11725	1.8
121.10198	2.9
127.07574	5.5
139.07541	25.1
153.09102	14.4
157.08557	2.0
167.10686	12.1
179.10657	2.0
181.12260	7.8
191.23499	1.6
193.12170	1.7
195.13869	4.1
196.52322	1.5
207.13826	3.2
209.15413	3.4
210.98558	1.9
223.17007	2.4
224.92130	1.4
231.86928	1.5
237.18529	1.7
250.60051	1.5
334.97604	1.6
360.60526	2.2
403.35815	22.3
404.20624	4.2
404.36044	2.5
421.20432	2.7
421.36771	100.0
422.21628	4.3
422.37167	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	421.3679
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05507	12.4
57.07069	6.9
67.05500	9.8
69.07057	15.2
81.07048	5.0
82.73994	3.1
83.08607	9.0
91.05498	6.8
93.06517	4.3
93.07047	39.9
94.53748	2.8
95.04974	3.2
95.08606	24.6
111.08092	24.8
111.82478	3.0
121.06483	3.6
121.10207	3.5
123.11734	3.3
139.07549	18.6
153.09154	11.7
157.08611	4.7
167.10718	9.2
181.12270	7.0
181.87167	2.8
195.13867	6.2
204.13791	3.3
209.15340	3.5
223.16882	4.3
256.20895	2.9
265.21585	3.5
303.17148	2.8
324.28577	3.3
326.69040	3.1
401.26669	2.8
403.35583	21.8
404.20654	7.4
421.20471	5.2
421.31876	4.0
421.36755	100.0
422.21631	5.9
422.37088	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	422.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39999	0.4
55.01876	1.3
60.04536	0.5
67.05507	1.6
68.05040	0.6
69.03428	4.6
70.03957	1.2
70.06563	0.6
71.04987	2.2
79.05496	2.9
80.05005	1.6
81.03413	1.2
81.07047	1.1
82.06583	0.5
83.01337	0.9
83.04997	1.3
83.07332	0.4
84.04511	0.5
84.08141	0.9
84.74973	0.4
85.02897	1.1
91.05486	2.6
93.03365	0.4
93.07048	1.2
94.06557	1.4
95.04963	2.0
95.08628	1.1
96.08144	0.6
97.02896	0.8
97.06534	0.9
99.04451	1.1
103.05431	0.7
105.07033	1.7
106.06568	3.4
107.04964	1.4
107.08605	1.1
108.08112	1.3
109.02878	0.5
109.06542	1.7
111.04417	0.6
112.07610	2.0
112.08300	0.4
113.02349	0.7
115.03941	0.6
115.05453	0.7
117.07033	1.4
118.06537	0.6
119.08600	1.1
120.08128	1.2
121.02873	2.9
121.06498	1.8
121.10116	0.5
122.09661	1.4
123.04446	0.5
123.08060	0.7
124.07594	1.3
125.02438	0.4
125.05985	0.6
125.09659	0.5
126.09142	0.5
128.06229	1.2
129.07031	1.0
130.06529	1.4
131.08604	0.5
132.08057	0.9
133.06485	0.8
133.10117	0.6
134.09662	1.3
135.08054	0.9
136.07597	0.7
137.06000	1.7
138.09117	0.9
139.03918	1.6
143.03372	0.4
143.08566	1.3
144.08025	0.4
145.06497	0.8
145.10146	0.8
146.09605	0.5
147.04407	0.6
147.08061	1.1
148.07655	0.4
149.06009	0.4
149.09650	0.8
150.09120	2.3
153.01784	0.7
153.05486	1.0
154.08644	0.8
155.08528	0.6
156.10205	0.9
157.06567	0.5
157.10127	0.4
158.09639	1.1
159.08037	0.6
160.11169	0.4
162.09135	0.6
163.07545	1.0
165.05496	0.7
165.09091	0.7
167.03491	0.4
168.10243	1.5
171.07965	1.0
173.05966	0.9
174.12711	0.4
175.07539	0.5
176.10628	0.6
179.07097	0.6
180.10191	1.8
182.11772	4.1
183.08139	1.0
184.11208	0.7
188.10738	0.9
191.07164	0.6
191.10583	0.5
193.04976	0.8
198.11255	1.4
199.07567	0.7
200.08382	0.5
204.10234	1.0
205.04941	0.7
207.13791	0.6
211.07495	0.6
212.14212	0.5
219.06502	0.6
222.11218	3.1
225.14813	1.8
229.08791	0.5
231.10150	0.5
232.13281	2.2
234.14836	0.5
240.13753	0.5
243.10165	0.6
245.07999	1.9
247.09814	0.4
248.16429	0.7
258.14926	0.9
260.93826	0.4
276.15811	1.9
277.10828	1.0
279.08582	0.9
289.10699	1.5
295.07382	0.4
316.19107	0.5
334.20181	1.1
358.20193	0.7
376.21143	4.3
404.16205	0.8
404.20688	1.7
422.18015	100.0
422.21683	21.4
423.17661	7.5
423.22525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2173
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
55.01871	1.2
55.05510	1.9
57.07066	1.5
59.39528	0.8
67.05502	2.1
69.03427	7.8
69.41410	3.8
69.71170	0.7
70.06586	3.7
71.04993	1.6
71.57166	0.9
79.05499	4.4
80.05005	2.0
81.03416	1.2
81.07057	7.9
83.01338	4.1
83.04974	1.1
84.08138	1.6
86.06054	6.7
91.05462	4.0
93.07052	9.0
94.06587	1.5
95.04958	2.5
95.08588	2.0
96.08134	2.5
97.08878	0.9
98.06059	1.8
99.04460	1.3
105.07024	3.7
107.04955	2.0
107.08599	4.8
108.08118	1.4
109.06507	3.6
110.09645	2.3
111.04417	0.8
111.08089	4.1
117.07030	1.6
119.05011	0.8
119.08546	1.7
120.08105	1.8
121.06521	4.2
121.10088	0.9
122.09676	2.0
123.08060	3.0
124.08854	2.4
124.11201	1.3
125.09612	1.1
126.09208	1.2
127.03908	2.8
131.08559	1.2
133.10118	2.3
134.06050	0.9
135.08018	2.2
135.11676	4.4
136.07561	1.5
136.11185	2.0
137.05971	16.6
137.09509	1.1
139.07518	1.2
141.05463	1.4
142.07744	1.0
145.06500	1.4
145.10144	2.3
146.05997	1.1
147.11696	1.2
148.07512	1.5
149.08252	1.0
149.09669	0.8
150.09152	3.7
151.07486	1.9
152.10674	1.9
153.09184	0.9
155.03381	9.1
155.08513	1.5
157.04970	6.1
157.10159	1.3
160.07573	1.0
162.09122	1.2
162.12773	3.6
163.11191	4.6
164.10703	2.8
164.14384	1.1
165.09100	1.3
166.08604	2.2
166.12369	1.1
167.07053	8.6
169.08688	1.2
173.09601	3.1
174.09109	1.2
175.11201	1.7
176.10628	1.2
176.14359	1.0
177.09012	1.1
180.13821	1.2
186.09094	1.4
187.07321	0.9
190.08603	1.6
190.12291	3.2
190.15909	1.5
191.10632	3.5
192.10188	3.4
192.13789	2.7
197.08089	17.7
198.14905	1.3
200.14189	0.9
201.08977	0.8
202.12181	1.3
202.16002	1.2
204.10234	2.3
205.12206	1.3
206.11763	2.8
208.13345	1.7
214.12315	1.1
216.10117	1.2
216.13992	1.2
218.15306	2.0
219.10240	1.0
220.13335	1.9
220.16942	2.1
221.11766	6.6
230.15385	1.9
234.14963	1.2
246.14810	2.8
248.16360	3.6
250.18022	4.9
252.10159	1.4
258.14841	1.2
263.31631	0.9
270.14914	1.0
276.15808	1.3
278.17593	1.8
278.20950	1.5
283.11795	1.1
290.17508	0.9
292.19348	1.4
294.11176	1.1
308.16516	1.9
310.17972	1.6
316.19025	9.3
324.19095	1.5
331.30954	0.8
336.15945	3.3
340.19141	2.0
346.16440	5.1
353.15393	0.9
358.20117	3.5
362.15958	13.1
368.18585	5.6
376.21194	2.8
386.19623	16.6
387.19785	1.6
390.22778	6.2
404.20425	100.0
405.20795	7.9
422.21518	88.2
422.25684	44.0
423.21350	9.7
423.26645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2175
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
54.87094	1.0
55.01870	1.1
55.05509	1.6
58.06594	1.3
67.05506	2.8
69.03427	9.8
69.07072	2.5
69.28124	3.9
71.04995	1.4
72.45466	0.9
73.02905	1.0
77.03966	1.1
79.05505	3.9
80.05019	10.1
81.03398	1.4
81.07046	1.5
82.06582	1.6
83.01357	3.7
83.04974	3.3
83.07353	1.1
84.08190	1.1
85.02930	1.5
85.06562	2.2
86.06102	1.5
91.05481	9.6
93.07039	3.0
94.02945	1.0
94.06569	11.1
95.04983	4.2
95.08600	2.1
96.08128	3.0
96.78037	1.0
97.06537	2.4
97.76704	0.9
99.04449	2.5
102.48840	1.0
105.07045	4.3
106.06546	7.1
107.04977	1.4
107.07256	0.9
108.08129	2.1
109.06529	6.7
111.04429	1.1
111.08077	2.5
112.11263	0.9
113.06041	1.2
115.03913	1.1
115.05444	1.8
116.06236	1.3
117.05804	1.4
117.07025	2.7
118.06537	2.2
119.04924	1.8
119.08582	1.8
120.08108	2.4
121.06503	8.2
122.06033	11.8
122.09682	4.8
123.08076	3.7
124.07621	1.5
125.09721	1.0
127.03832	2.4
128.06226	1.9
129.06999	2.3
130.06528	5.0
131.07310	2.2
131.08591	7.6
132.08099	2.2
133.06520	1.8
133.10211	1.3
134.05978	1.3
134.09631	1.9
135.08002	1.9
136.07547	1.2
136.11275	1.3
137.05969	3.4
139.09938	1.8
140.10699	5.9
141.07036	3.7
142.06590	1.6
143.07324	7.3
143.08411	1.6
144.08081	8.1
145.06505	3.2
146.05998	1.0
146.09668	2.8
147.08037	1.5
148.08842	2.3
149.05971	20.6
151.03882	2.1
152.10696	1.1
154.12292	3.9
155.03384	2.7
155.07118	4.0
156.08104	2.6
157.08849	1.7
158.07332	2.1
158.09691	2.4
159.08046	7.8
160.08844	4.0
161.06017	2.5
161.09619	2.2
162.09177	1.8
163.11055	1.0
164.10754	4.5
165.05426	5.7
165.09196	1.1
168.08176	1.6
169.06483	1.1
169.08873	1.6
170.09625	8.3
171.10437	3.3
172.11221	3.8
172.13376	1.8
176.08327	4.8
176.10748	1.5
177.05510	1.1
179.07039	2.7
181.08693	1.2
182.11833	2.1
183.06529	5.6
184.07625	3.0
184.11200	9.6
185.12010	7.8
186.06837	1.3
186.09152	1.6
186.12758	1.7
187.07553	5.7
188.08296	1.2
188.10757	2.0
189.05531	2.8
189.09125	4.8
191.10686	2.0
195.42537	0.9
198.09122	8.5
198.12807	1.7
199.09924	2.2
200.10992	1.0
200.12840	3.5
201.09129	1.3
202.12251	1.7
203.13023	2.7
204.07945	2.8
204.13794	1.4
205.08473	1.1
206.15257	1.3
207.06647	2.3
212.14349	2.3
214.06525	1.1
219.10217	4.8
221.08217	2.3
223.09758	1.4
229.08638	4.1
230.15469	1.7
232.07298	6.5
232.13304	1.3
238.12363	1.7
240.13924	3.5
247.09662	37.2
248.10481	1.5
248.16510	2.3
250.12270	1.5
250.17921	6.7
258.14957	2.4
276.15833	1.7
278.17603	2.7
290.13879	1.8
298.14328	1.3
308.12747	1.1
320.18567	1.2
324.19357	1.6
326.13867	31.3
327.14011	1.4
330.16916	1.4
344.14954	4.0
368.18582	34.5
369.19061	2.8
381.34009	1.0
386.19620	29.9
387.19904	2.3
404.20676	90.7
405.21097	6.7
422.21722	100.0
423.22073	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	422.2175
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
55.05510	0.4
56.05035	0.4
67.05510	0.5
69.03432	2.2
69.40248	0.7
69.40636	0.7
70.06593	3.1
71.05000	2.3
71.30540	0.3
79.05485	0.4
80.05005	0.8
81.07055	0.8
82.06586	0.4
84.08142	1.6
85.02900	0.4
90.56934	0.3
93.07039	1.0
94.06589	0.7
95.04974	0.4
95.08584	0.6
96.08142	1.2
97.08914	0.5
98.06088	0.3
98.22689	0.7
99.04454	0.7
105.07052	0.5
107.08586	0.7
108.08159	0.4
109.06500	0.5
110.09680	0.6
111.08092	3.1
113.02359	1.5
119.08558	0.4
120.08070	0.6
122.09681	3.0
123.04401	0.6
123.08035	0.7
124.11223	0.7
125.05988	1.4
126.09185	0.3
134.09676	1.1
136.11208	2.7
137.05949	1.6
141.19414	0.3
149.05991	0.4
150.09137	2.0
152.10753	0.7
154.12238	0.4
161.09592	0.3
162.12831	1.1
164.10715	0.4
164.14352	4.7
165.05457	0.5
165.14697	0.3
166.28339	0.3
168.10167	2.1
170.11781	0.6
180.10223	0.4
180.13899	0.8
182.11761	4.3
182.15379	2.8
189.09254	0.4
190.15955	0.6
192.13965	0.4
193.08595	0.4
195.16167	0.3
202.12172	0.5
208.13327	1.0
208.16991	0.9
213.12267	0.6
217.08635	1.7
221.11703	0.6
225.14906	0.5
232.13441	0.8
234.14822	1.5
236.16418	2.0
248.07672	0.3
250.14494	0.4
260.16245	0.5
262.17999	0.4
264.19611	0.4
278.17490	1.3
290.17529	0.6
292.19238	0.5
308.18527	2.0
318.17014	1.8
330.17087	0.7
332.22369	0.4
348.18240	0.7
360.21982	0.4
376.21075	1.9
386.19534	0.6
394.22137	0.4
404.20682	6.3
422.21738	100.0
423.22061	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	422.2176
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
53.68076	0.5
55.05513	1.2
55.42005	0.5
56.05033	1.0
59.29586	0.5
67.05510	1.6
69.03441	3.0
69.07057	0.8
69.94727	1.2
70.06607	0.9
71.04989	0.8
72.22551	0.5
79.05489	1.6
80.05018	2.1
81.03418	0.9
81.07082	0.5
83.01350	0.5
85.02940	0.8
85.06530	1.4
91.05485	2.2
93.07042	1.8
94.06575	2.2
95.08599	1.2
96.08159	1.1
97.06514	0.8
98.22797	0.9
99.04488	0.9
100.07614	1.3
105.07024	1.5
106.06554	1.5
107.04956	0.8
107.08584	1.1
108.08138	1.1
109.06525	1.8
110.06005	0.6
110.09678	0.6
111.08089	3.5
112.07610	1.2
115.03922	0.7
117.06987	0.7
119.08603	1.5
120.08124	2.0
121.06499	1.4
121.10142	0.6
122.09668	2.2
124.11227	0.8
125.06003	0.5
127.03933	0.9
128.06264	1.3
129.07021	0.8
131.08594	1.8
132.08136	0.6
134.09654	1.6
135.08073	1.1
135.10455	1.1
136.07611	0.6
136.11276	1.4
137.06027	0.6
138.09091	2.7
140.10732	1.8
143.08548	1.0
145.10136	1.0
146.09636	0.8
147.11690	0.6
148.11183	0.6
149.06004	0.6
149.09593	0.7
149.89374	0.5
150.09160	2.1
150.12787	1.5
152.10732	1.3
153.05519	0.7
155.03378	0.9
155.07002	1.2
156.13838	1.3
158.09581	0.8
158.11739	0.9
159.08032	1.3
161.13206	0.8
162.09198	0.6
163.07555	1.3
165.05392	0.9
167.07150	0.8
168.10202	0.9
173.09657	1.0
175.11234	0.9
178.12259	0.6
182.11769	1.4
183.06534	1.5
184.13313	0.8
186.12828	1.5
187.07574	0.7
188.14447	0.8
190.12267	0.9
191.10582	0.9
203.10686	1.0
204.10202	0.8
204.13824	1.3
206.15472	0.9
214.12286	0.8
217.08441	0.6
220.13457	0.8
224.16458	2.1
230.11896	0.7
232.13306	7.6
233.13902	0.6
242.15172	0.6
250.12082	0.7
258.14908	1.3
286.14453	0.6
286.17728	0.7
294.13290	1.4
298.14349	0.7
306.17191	1.1
326.13791	0.7
328.19040	0.9
330.16919	0.7
331.17621	1.2
340.18713	0.6
348.14383	1.4
349.18790	1.1
358.20151	1.3
368.18546	1.1
376.21246	0.7
386.19666	2.2
404.20660	34.1
405.20853	3.1
422.21707	100.0
423.22113	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	422.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.4
57.03439	1.9
66.00236	0.9
67.05496	3.0
68.05068	0.8
69.03430	4.7
69.07059	1.6
70.06592	1.4
79.05491	4.1
81.07054	5.1
83.04975	1.1
84.08143	1.8
85.02912	3.9
91.05494	1.8
93.07053	2.8
95.04978	1.9
95.08608	1.6
96.08119	1.0
97.02895	0.9
97.06535	1.0
103.05489	2.3
105.07030	100.0
106.07359	2.7
107.08602	2.1
108.08123	0.9
109.06534	2.0
110.09689	1.6
111.08085	2.6
112.44388	1.0
117.07030	1.1
121.10143	1.4
123.08036	1.1
124.08862	1.1
124.11264	1.1
124.88650	0.8
125.06013	1.8
125.09644	2.7
133.06367	0.9
135.08089	1.2
136.11258	1.2
137.05992	10.8
137.09534	1.3
150.09052	1.0
151.07526	5.5
153.09070	1.2
159.11681	0.9
162.12846	1.3
163.11208	1.0
165.09100	9.1
168.10196	1.0
171.10175	1.1
177.12782	0.9
198.14935	1.3
202.12303	1.5
210.11327	1.3
220.13153	1.1
221.11768	2.3
243.13803	56.7
244.14194	2.2
250.18080	2.6
252.12325	1.0
269.17450	6.2
278.21078	1.6
316.18939	4.4
340.14972	1.1
351.25348	1.1
369.26413	1.4
376.21045	1.1
390.22824	2.3
404.20309	2.3
404.24652	9.0
405.24426	0.9
422.20987	7.1
422.26132	28.4
423.23267	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	422.2175
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
55.01906	0.6
55.05502	1.8
56.05034	0.8
57.03426	0.6
67.05497	3.4
69.03439	1.7
69.07071	1.8
69.34580	2.4
70.06602	0.6
70.58675	0.5
79.05483	2.1
81.03406	2.4
81.07056	4.1
82.06587	0.9
83.04979	1.2
84.08134	1.7
85.02885	1.3
85.06538	0.9
91.05470	2.1
92.89690	0.5
93.07029	2.2
94.06548	0.8
95.04970	0.7
95.08609	1.9
96.08124	4.5
97.06567	0.6
98.09715	0.6
99.04470	0.9
100.07643	0.8
105.07016	2.1
107.08601	1.2
108.08093	1.1
109.06519	6.9
109.10197	3.0
110.06055	0.9
110.09657	1.3
111.08088	1.3
112.07607	1.1
114.09167	2.4
119.08603	1.5
121.06480	0.7
121.10114	0.7
124.07561	0.9
126.09135	2.0
126.12779	0.6
127.07565	2.7
128.07077	0.7
131.08591	1.0
133.10120	0.8
134.09668	1.2
135.11668	1.9
136.11224	1.4
137.05949	2.3
138.09155	1.6
138.12764	2.4
142.08630	1.3
145.10220	0.8
148.11272	1.1
149.09619	0.7
149.12051	0.9
150.08070	0.5
150.09073	2.8
151.07420	0.6
152.10696	2.1
154.08647	1.2
154.12280	1.8
159.11633	0.6
160.11273	0.5
162.12769	1.2
163.11172	1.0
164.10674	2.8
165.11467	1.1
166.08623	1.2
166.12300	2.3
168.10187	1.0
174.12752	0.6
176.10712	0.9
176.14362	3.4
177.12767	0.6
178.12279	1.3
180.13829	1.9
181.12321	0.7
182.11743	0.8
188.14294	0.9
192.10193	1.5
192.13898	0.8
194.11865	0.7
195.72665	0.6
196.13333	1.5
198.14827	3.2
204.13841	2.1
206.11807	1.8
210.11290	1.6
220.13364	0.6
222.14949	1.0
224.12746	2.8
232.13341	0.6
234.14915	0.7
234.18472	0.7
236.16425	1.9
238.10750	10.2
238.13164	0.7
238.14391	1.8
246.14851	0.7
248.16444	1.0
250.14354	1.5
250.17900	0.6
260.16409	0.8
262.14468	0.9
262.18015	1.2
264.15866	2.8
267.14523	1.3
268.15390	2.4
274.17926	0.6
276.16006	1.5
276.19421	0.6
278.17569	0.9
278.20914	0.8
280.19006	1.8
282.16962	1.8
292.18860	2.7
302.17508	0.8
304.18997	1.0
306.16995	0.7
306.20517	1.2
308.18515	4.9
309.18723	0.7
310.08459	0.6
320.18591	16.0
321.18768	1.2
322.20120	1.2
334.20129	0.9
336.17996	0.7
348.53528	0.6
350.19574	7.7
351.19995	0.6
352.21149	11.5
353.21326	0.8
376.21121	1.1
378.19107	8.2
380.20898	3.6
394.22247	14.1
395.22461	0.8
404.24377	1.5
422.21649	100.0
423.22070	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	422.2174
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
51.18097	0.7
55.05499	2.5
56.05013	0.7
57.03413	1.1
57.07049	0.7
63.59935	0.6
64.30681	0.7
67.05221	0.5
67.05512	5.5
69.03412	2.6
69.07046	2.6
69.58127	2.4
70.06582	1.3
71.04984	1.0
79.05490	3.4
81.03404	2.7
81.07056	6.3
82.06568	1.4
83.04963	1.9
84.08111	2.6
85.02876	1.0
85.06546	1.1
89.73229	0.6
91.05467	3.3
93.07017	2.9
94.06551	1.0
95.04968	1.3
95.08594	2.9
96.08147	4.3
97.06524	1.0
97.08913	0.7
100.07614	1.5
105.07034	3.1
107.08601	3.4
108.08105	1.1
109.06503	8.2
109.10172	3.5
110.06071	1.4
110.09660	1.2
111.08098	4.3
112.07577	1.6
114.09167	1.4
119.08597	3.5
121.06438	1.3
121.10110	1.1
122.09653	1.9
123.08064	0.9
124.07542	0.8
124.11191	0.8
126.09139	1.6
126.12844	0.7
127.07544	2.1
128.07063	0.9
130.78485	0.6
131.08556	0.9
133.10127	0.7
134.09634	1.4
135.08035	1.5
135.11635	0.9
136.07564	0.7
136.11240	1.6
137.05992	4.8
137.09526	0.8
138.09113	2.4
138.12772	1.6
139.07587	0.9
140.07034	0.9
142.08603	2.6
145.06424	0.7
145.10124	0.7
147.08040	0.8
149.09662	0.7
150.09096	2.8
150.12782	0.8
152.10672	2.2
153.11497	1.1
154.08592	2.1
154.12299	4.5
155.07050	1.3
159.11641	1.3
161.13228	1.5
162.09070	0.7
162.12820	1.2
164.10689	1.4
166.12236	2.0
168.10271	1.2
170.08876	0.6
177.12701	0.8
178.12251	1.3
180.13748	0.7
182.11798	3.3
192.10187	1.0
194.11769	1.2
196.13332	1.2
198.14732	0.7
201.12479	0.8
204.13831	1.6
206.11705	0.9
210.11281	0.9
218.15350	0.7
220.13304	2.0
222.14899	1.1
222.92708	0.7
224.12779	3.0
232.13318	0.7
234.14882	1.1
236.16405	5.3
238.10748	20.7
238.14323	7.8
248.16324	0.8
250.14429	1.1
250.18001	0.7
262.18002	1.1
263.98279	0.7
264.15930	4.5
266.13837	1.0
267.14621	2.0
268.15393	2.6
274.14047	0.7
276.15796	1.6
278.17480	1.1
280.15256	1.1
280.18979	1.7
282.17117	1.0
290.17462	1.5
292.15433	1.2
292.18985	1.2
304.19348	0.9
305.95309	0.7
306.20615	1.5
308.18619	3.9
316.18976	1.5
320.18539	1.4
334.19962	1.6
336.18103	4.1
350.19608	13.4
351.19821	1.2
352.21109	2.7
358.20621	0.7
376.21140	1.1
378.19095	42.5
379.19312	2.5
380.20438	1.1
386.19342	1.6
394.22311	7.0
404.20181	2.3
404.24408	2.6
411.22577	0.6
422.21536	100.0
423.22205	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	422.2177
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
55.01873	0.8
55.05518	1.1
57.07083	2.9
58.99058	0.4
66.35782	0.4
67.05517	1.3
69.03429	5.0
69.07069	0.6
69.80191	1.0
69.80549	1.0
70.06595	1.8
71.04993	1.8
79.05490	2.9
79.58755	0.4
80.05004	0.7
81.03482	0.5
81.07066	4.0
82.06579	0.8
83.01350	1.7
83.04975	1.6
84.04525	0.6
84.08158	1.4
85.02898	0.6
85.06536	0.9
86.06068	4.8
87.53760	0.5
91.05487	3.2
93.07051	6.3
94.06585	1.1
95.04972	1.9
95.08617	1.7
96.08133	1.1
97.02882	0.5
98.06084	1.1
99.04479	1.7
105.07040	4.5
106.88400	0.4
107.04953	1.6
107.08582	2.7
107.28319	0.4
108.08112	1.4
109.06525	2.4
109.08859	0.6
110.09690	1.3
111.04433	1.4
111.08067	3.7
112.07600	0.5
117.07065	1.8
119.05045	0.5
119.08585	1.8
120.08117	0.9
121.06490	3.8
121.08953	0.7
121.10125	0.6
122.06051	0.6
122.09669	1.9
123.08076	2.6
123.10497	0.5
124.08869	0.6
125.05984	0.6
125.09659	0.8
126.09174	1.0
127.03909	2.3
129.06978	0.7
131.08603	0.7
133.10165	1.4
134.09654	1.4
135.04367	0.6
135.06895	0.9
135.08051	1.8
135.11649	2.7
136.07599	1.4
136.11232	1.8
137.05971	9.0
137.08322	0.6
138.09145	0.6
139.07509	0.6
141.05484	1.0
142.07790	0.5
145.10075	2.9
146.09656	0.7
147.08098	0.6
147.11719	1.2
148.07579	1.2
148.11226	0.8
149.05977	0.6
149.08415	0.6
149.09625	0.9
150.09140	3.8
151.07516	1.1
152.10727	0.9
153.09174	0.9
154.12267	1.8
155.03395	8.9
157.04968	3.9
157.10168	0.6
158.09599	0.6
160.07599	1.1
160.11150	0.6
161.09572	0.6
162.09161	2.4
162.12766	1.1
163.07484	0.6
163.09959	0.8
163.11165	3.8
164.07068	0.7
164.10670	2.7
164.14372	1.6
166.08629	2.9
166.12251	1.2
167.07043	7.1
168.10220	0.9
169.05016	0.5
169.08629	1.8
172.11191	0.7
173.09618	2.8
174.09184	0.8
174.12769	0.7
175.11234	0.9
176.10716	2.0
178.08588	0.8
178.12216	0.8
179.07047	1.1
180.13824	1.9
181.08708	0.7
182.11790	1.2
183.06534	0.8
186.09178	1.1
186.12688	0.6
188.10748	1.6
190.08607	1.6
190.12270	2.2
190.16022	0.6
191.10750	2.8
192.10194	2.0
192.13838	3.2
196.09747	0.6
197.08087	25.3
198.08543	0.7
198.12854	0.7
198.14949	0.9
200.10704	0.6
200.14368	0.6
201.09219	0.5
202.12291	1.5
202.15794	0.6
204.10184	2.0
204.13800	0.8
205.12373	0.7
206.11836	3.8
208.09526	0.6
208.13321	1.9
214.12280	0.8
216.13899	1.5
218.11906	1.2
218.15419	1.1
220.11363	0.7
220.13338	1.2
220.17026	2.2
221.11746	2.3
228.13889	1.6
230.15334	2.3
233.11743	0.9
238.08743	0.6
238.12259	1.4
240.10013	0.5
242.15392	0.7
244.17039	0.7
246.14931	2.1
248.12808	0.9
248.16504	3.6
250.18066	2.0
251.13069	0.5
252.13928	0.8
254.11845	0.8
258.14880	0.9
264.12552	0.6
266.11728	0.8
266.15637	0.5
268.47607	0.6
270.14865	1.5
274.14560	0.7
278.21191	0.7
280.16934	0.8
282.18356	0.7
286.14481	0.6
290.13644	0.5
291.16199	0.6
292.15820	0.7
293.10370	0.7
294.11279	0.7
298.14383	0.8
301.14542	0.6
308.16302	1.1
309.17307	0.7
310.17984	0.6
316.19086	3.3
324.19360	0.9
326.14008	0.6
328.19107	0.6
329.16446	0.5
336.15918	3.1
340.19034	2.4
342.20648	0.6
346.16415	7.9
358.20108	2.7
362.15967	15.3
362.20386	1.1
363.16232	0.8
368.18506	4.4
369.18851	0.5
376.21024	2.8
386.19601	15.8
387.20007	1.5
390.22672	2.4
404.20535	100.0
405.20847	7.9
422.21063	69.8
422.26062	12.0
423.21396	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	422.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41399	0.8
55.05487	2.3
57.03425	1.2
67.05512	4.1
69.03407	2.8
69.91734	0.9
70.06564	2.8
71.04969	1.8
79.05453	2.6
81.03383	2.1
81.07053	5.5
82.06559	1.1
83.04952	1.2
84.08102	1.6
91.05459	3.2
93.07001	3.0
94.06562	1.0
95.04950	1.6
95.08578	2.2
96.08102	3.2
97.02879	0.9
98.09631	0.9
98.22702	1.9
99.04443	1.2
99.84953	0.7
105.07029	4.8
107.04907	1.1
107.08561	2.3
108.08119	0.7
109.06525	5.6
109.10102	2.6
110.09637	0.9
111.08081	4.7
112.07560	1.2
114.09109	1.5
114.95238	1.1
119.08530	3.2
120.08055	1.0
121.06510	2.0
122.09637	1.6
123.07996	1.1
124.07507	1.0
126.09096	1.0
127.07491	0.9
131.08560	1.1
133.10118	1.7
134.09621	1.9
135.08031	1.6
135.11630	1.1
136.11168	3.0
137.05991	7.2
138.09042	1.6
138.12723	2.0
142.08614	1.4
147.11641	0.9
150.09082	3.2
152.10632	1.4
153.11458	1.1
154.12219	2.3
155.06955	1.3
161.09575	1.4
162.09018	1.1
162.12747	1.8
163.11162	1.1
164.10602	1.8
166.12251	1.0
168.10126	1.1
175.11139	1.0
176.14333	1.4
178.12192	1.4
180.13779	1.6
182.11688	1.2
190.12140	0.7
190.15646	0.9
196.13264	1.6
198.14671	0.9
204.13760	2.2
205.14052	0.9
206.11726	1.7
220.13419	0.9
221.11644	1.3
222.11214	1.1
222.14780	1.5
224.12733	2.0
234.14842	1.4
236.16463	6.6
238.10631	3.5
238.14328	3.3
244.13510	1.1
248.16428	1.0
250.14378	2.1
250.18077	1.0
258.59924	1.0
262.17935	1.2
264.15930	3.8
267.14749	0.8
268.15356	1.1
268.65634	0.8
274.17783	1.1
276.15921	1.2
280.15515	0.8
280.18887	1.8
282.16483	0.9
290.05972	1.1
290.17151	1.7
292.18985	1.1
302.17303	1.2
304.18680	1.0
308.18527	1.9
316.18918	2.4
320.18433	3.5
332.18375	2.6
334.20032	1.5
336.17679	0.8
339.96881	1.0
350.19659	7.3
352.20889	1.7
376.21185	1.9
378.19077	22.1
379.19153	1.7
380.20560	2.0
386.19467	1.3
390.22409	1.2
394.22061	1.8
404.19479	1.2
404.24701	6.5
422.21414	100.0
423.22043	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	422.2176
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
53.03940	1.8
55.01873	2.8
55.05511	6.9
56.73804	1.1
57.03429	1.3
57.07065	3.1
57.89495	1.2
60.32053	1.2
63.77583	1.0
67.05502	3.7
69.03433	13.6
69.07068	6.9
70.28919	1.1
71.04999	2.2
71.43934	1.3
75.86926	1.1
79.05493	4.7
80.05022	1.1
81.03411	3.2
81.07047	11.0
83.01340	2.6
83.04955	3.3
83.08618	12.8
84.04498	4.7
85.02934	6.0
85.06550	7.4
86.06033	1.2
86.06864	2.0
87.00829	3.2
87.04414	1.0
91.05476	5.8
92.05787	1.6
93.07042	5.2
94.06586	2.9
94.46674	1.1
95.04962	3.3
95.08603	5.2
96.04478	1.1
96.08142	2.7
96.08924	2.2
97.02899	4.7
97.06527	2.4
97.10170	2.5
98.06023	2.7
99.04459	2.5
105.01854	2.3
105.07018	5.0
107.04950	2.8
107.08556	3.2
108.08091	1.2
109.02859	2.2
109.10152	1.7
110.06036	6.7
110.09676	1.4
111.04428	4.6
111.08054	3.2
115.03937	2.8
119.04932	2.6
119.08562	2.7
120.08100	3.4
121.06504	7.5
121.10104	3.5
122.05984	1.2
122.09642	3.0
123.08104	1.8
124.07575	4.5
125.06039	1.3
126.12782	1.3
127.03909	7.1
131.08578	6.0
133.10123	3.7
134.09628	2.0
135.08057	1.8
136.11211	2.5
137.05951	1.4
137.09602	2.3
137.13226	1.3
138.09178	2.2
138.12639	1.1
138.13612	1.8
139.07553	2.2
139.11145	1.9
139.14839	2.1
145.04965	1.9
147.04407	9.3
147.08026	1.8
147.11658	1.2
148.07613	3.8
148.11209	3.0
149.09612	36.4
149.10808	1.9
150.09081	8.5
150.12721	1.3
155.14308	3.2
156.14607	2.8
157.10150	2.5
157.15860	6.0
160.11253	1.3
161.06012	1.3
162.12758	6.7
163.13129	2.1
164.10677	2.0
164.14294	1.7
166.08629	6.4
166.12256	2.1
167.07112	2.2
167.10672	1.6
168.10213	2.7
173.15349	4.9
174.15712	2.8
175.11191	12.4
176.10690	1.2
177.09126	5.9
177.12708	1.8
180.10190	1.8
184.09727	7.7
190.12334	2.2
192.10167	2.1
194.11826	8.3
195.10138	3.0
196.09706	12.0
197.08162	1.9
203.10692	2.2
204.13803	4.4
208.13333	1.7
210.11232	4.3
222.11246	63.1
222.14766	2.4
223.11488	3.2
230.08824	1.5
238.14357	3.9
250.17870	1.4
259.09644	2.2
266.11118	2.1
266.13870	27.9
267.14072	1.7
278.17651	2.5
332.18582	14.6
358.19980	5.4
360.18124	2.8
362.15924	2.8
371.45688	1.2
378.19107	31.9
378.23120	1.2
379.19122	1.7
386.19736	6.9
404.20670	48.1
405.20929	12.9
422.21600	100.0
423.21942	7.7
425.19965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05280	0.6
55.05518	5.5
57.07074	2.4
67.05503	2.3
68.05020	1.6
69.03428	4.1
69.07073	8.0
71.04992	1.0
71.08643	1.1
79.05490	1.6
80.05007	0.8
81.03419	1.9
81.07072	3.2
82.06576	1.5
83.01353	1.7
83.08624	13.4
84.04507	0.9
85.02903	2.6
85.06515	0.7
86.06079	1.2
87.00846	1.2
91.05487	2.0
93.07039	1.0
94.06583	1.0
94.07185	0.6
95.04981	1.7
95.08612	1.0
96.08113	1.2
97.02895	1.2
97.06547	1.0
97.08878	0.7
97.10144	2.8
99.04465	1.2
100.07619	1.2
105.01874	2.6
105.07059	0.9
107.04992	0.9
107.08581	0.9
108.08128	0.7
109.02862	1.0
109.06541	1.7
110.06078	0.8
111.08080	1.6
114.12862	0.6
115.03922	1.4
119.08584	0.7
120.08083	1.2
121.06522	1.4
122.09708	0.6
124.11233	4.3
126.12814	0.6
127.03932	2.4
131.08574	0.9
136.11237	0.7
137.05992	1.6
138.12682	1.3
139.07549	1.0
139.14867	3.3
139.15825	0.7
142.12280	5.0
143.03371	1.0
145.04976	1.2
148.07631	1.3
153.29759	0.7
155.07065	1.2
156.13889	1.2
161.08360	1.2
162.09076	0.6
162.12756	1.4
164.14407	0.7
166.12227	0.8
191.12877	0.7
192.02980	0.6
194.11810	0.7
202.12372	0.7
204.13826	3.9
220.13292	1.2
222.14987	2.7
223.55586	0.6
224.12859	1.9
230.15575	0.9
232.16951	0.8
248.16473	1.8
292.18985	0.8
306.16882	3.8
330.21463	0.9
333.02515	0.6
386.19577	1.1
404.20685	21.2
405.21024	4.4
422.21725	100.0
423.22052	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	422.2175
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
55.01857	0.9
55.05512	0.4
59.86443	0.4
67.05487	0.7
69.03433	3.0
69.79739	0.9
70.06590	1.0
79.05490	1.2
80.05006	1.8
81.07046	1.4
82.06569	0.7
84.08141	1.1
85.02902	0.5
86.06070	0.9
91.05471	0.8
93.07070	0.9
94.06548	1.0
95.04967	0.7
95.08608	1.3
96.08138	0.7
97.02859	0.4
97.06503	0.4
105.07014	0.9
106.13149	0.4
107.08579	1.2
108.08115	0.6
109.06536	2.0
111.08092	1.5
113.02386	0.9
114.74263	0.4
117.06949	0.5
119.08571	0.9
120.08072	0.8
122.09655	2.4
123.08082	0.9
124.07538	2.6
124.11252	0.7
125.01693	0.5
125.06016	1.1
132.08096	1.7
133.06483	0.5
134.09679	1.1
137.06032	0.6
144.07994	0.4
147.08069	0.9
149.09592	0.8
150.09126	4.1
151.07541	0.6
152.10722	1.2
156.07988	0.5
158.09647	0.5
160.11324	0.4
162.12901	0.5
165.09177	0.6
168.10213	3.6
169.04982	0.5
170.09604	0.5
170.11699	0.6
173.09607	0.5
176.10771	0.8
180.10159	2.9
182.11777	8.3
184.11249	1.1
191.10597	0.5
198.11241	2.5
204.13844	0.5
208.13290	1.2
212.14375	1.3
218.11775	1.1
219.10182	0.9
231.12665	0.6
232.13324	2.6
234.15010	0.4
237.11266	0.5
240.13838	1.0
243.08717	0.6
248.16476	1.0
250.14423	0.6
258.14856	2.5
275.04874	0.5
276.15927	4.2
277.16513	0.5
300.15982	0.6
303.04428	0.7
316.19028	1.1
334.20206	1.6
335.06882	0.8
358.20233	2.3
363.06409	1.2
376.21213	9.0
377.21671	0.7
386.19681	1.1
404.20663	4.8
422.21729	100.0
423.22046	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	422.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72402	0.4
55.05510	0.5
57.07066	0.6
61.31016	0.4
67.05488	1.0
67.26985	0.4
68.05002	1.1
69.03423	1.4
69.07056	0.5
69.33318	1.7
70.06578	1.4
71.04997	0.7
76.44867	0.4
79.05478	1.4
80.05013	0.7
81.07056	1.2
82.06594	2.1
83.01354	1.7
83.07359	1.2
84.08159	0.9
86.06049	0.7
86.09686	0.4
91.05470	0.9
93.07044	1.7
94.06571	1.2
95.04967	0.9
95.08602	0.6
96.08121	2.8
97.06503	0.4
99.04439	0.4
105.07041	0.8
106.06550	0.7
107.04993	0.4
107.08569	0.5
108.08109	0.9
111.08067	0.7
115.03927	1.2
117.06925	0.5
119.08560	0.8
120.08108	1.6
121.06506	1.2
122.09678	0.9
123.08087	0.9
124.11279	0.7
125.05969	0.7
126.12742	0.4
131.08559	0.5
133.10109	0.5
134.09660	0.7
135.08049	0.6
136.11220	1.6
137.05991	1.5
137.09605	0.5
138.09164	0.6
138.12778	0.9
140.07027	0.5
143.03384	0.7
147.04437	0.6
147.08034	0.4
148.11278	0.5
149.05959	0.5
150.09122	0.6
150.12810	0.8
152.10703	0.7
154.12273	1.2
155.06075	0.3
155.07069	3.0
156.10269	0.6
162.12778	3.2
163.07529	0.4
164.14354	1.4
170.11771	1.3
176.14342	0.7
177.09091	0.6
178.15950	0.8
179.16655	0.4
182.11740	0.8
183.48450	0.4
187.13474	0.4
189.09065	0.6
190.12341	0.5
194.11781	9.1
200.12784	0.4
204.13889	1.2
205.15929	0.7
206.19073	0.5
208.13356	1.6
215.14366	0.4
217.08560	3.2
222.14871	0.7
231.10135	0.5
232.16965	0.4
236.16396	2.0
250.17990	1.2
257.04498	1.9
278.17468	3.2
280.19141	0.5
305.05780	0.4
306.16849	0.5
318.20456	0.6
330.17068	1.1
362.19852	0.4
376.21487	0.5
378.22791	1.4
386.19632	0.8
390.18961	0.8
391.80200	0.4
394.22394	0.8
404.20660	5.1
405.20990	0.5
422.21686	100.0
423.10727	2.6
423.22015	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	422.2176
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
50.34859	0.4
54.05757	0.3
55.01876	0.9
55.05502	0.5
65.09545	0.4
66.14710	0.4
67.05502	0.9
69.03432	3.3
69.58644	1.4
70.06588	0.8
79.05486	0.9
80.05028	1.9
81.07053	1.4
82.06557	0.6
83.04979	0.6
84.04514	0.4
84.08161	2.0
85.02888	0.5
85.06524	0.5
91.05486	1.1
93.07054	1.4
95.05000	0.7
95.08611	1.7
96.08147	0.6
97.02914	0.8
105.07047	1.4
107.08553	1.0
108.08112	0.6
109.06506	2.3
110.06068	0.5
111.08070	0.8
113.02361	1.1
117.07007	0.6
119.05962	0.4
119.08557	0.6
120.08107	0.9
122.09669	2.0
123.04469	1.0
123.08033	0.7
124.07605	2.3
124.11230	0.6
125.06001	0.8
125.09623	0.6
127.07558	0.5
130.06543	0.6
131.08556	0.5
132.08096	1.3
134.09659	1.1
135.08037	0.6
136.06184	2.1
138.05499	1.1
147.08012	0.4
149.09607	0.6
150.09145	4.6
150.82672	0.5
151.07521	0.9
152.10712	1.6
154.12314	0.4
158.09608	0.6
162.09138	0.7
164.10648	0.5
165.05489	0.7
166.21663	0.4
168.10168	2.7
170.11812	0.5
174.09146	0.6
176.10741	0.7
180.10165	2.4
182.11766	8.3
184.11250	1.4
188.10722	0.5
191.10661	0.7
198.11252	2.9
204.13792	0.6
207.10266	0.6
208.13321	1.1
209.37654	0.4
212.14340	1.2
218.11861	0.5
219.10278	0.8
220.11786	1.9
230.15421	0.6
231.12556	0.6
232.13321	2.2
234.14885	0.6
240.13885	1.7
246.14928	0.5
248.12875	0.4
248.16620	1.1
250.14406	0.7
254.15462	0.4
258.15002	2.6
261.05426	0.4
276.15955	4.9
306.20804	0.8
316.19116	1.5
318.16818	0.5
320.18555	0.9
334.20154	2.7
348.21921	0.6
358.20038	1.8
360.21716	0.6
376.21167	15.3
377.21588	1.7
394.22150	1.0
404.20673	6.9
405.21225	0.4
422.21725	100.0
423.22025	5.5
430.09354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04421	0.4
55.05499	1.1
56.05002	0.5
57.07084	3.9
63.64901	0.4
66.49423	0.4
67.05484	1.3
69.03430	3.2
69.07056	0.5
71.04974	1.0
79.05494	2.7
80.05034	0.5
81.07063	2.5
82.06584	0.5
83.01363	2.2
83.04984	1.4
84.08147	0.5
85.06550	1.2
85.45150	0.4
86.06068	5.1
91.05476	2.6
93.07040	5.2
94.06562	0.5
95.04977	1.4
95.08605	0.4
97.06545	1.0
98.06046	1.0
99.04437	1.4
105.07034	1.9
107.04958	1.4
107.08602	1.5
108.08110	1.0
109.02893	0.5
109.06526	1.6
111.04440	1.5
111.08092	1.7
113.06022	0.5
117.07026	1.3
119.08549	1.2
120.08123	1.1
121.06514	3.4
121.10059	0.5
122.09742	0.6
123.08091	1.4
124.11213	0.5
125.06004	0.6
126.09184	0.8
127.03951	2.7
131.08537	0.6
132.08115	0.5
133.10179	0.5
134.09641	0.8
135.08051	0.8
135.11710	3.1
136.07602	1.0
136.11192	1.3
137.05969	1.0
137.08369	0.4
138.09123	0.7
141.05489	1.2
141.07005	0.7
145.10124	1.9
146.09595	0.5
147.11684	1.0
148.07567	1.3
148.11177	0.8
149.05965	0.6
149.08463	0.8
149.09631	0.7
150.09155	2.7
151.07556	0.7
152.10686	1.0
153.09081	0.7
155.03400	9.9
155.08569	1.3
157.04942	3.5
157.10138	0.6
160.11221	0.8
161.05977	0.5
161.09645	0.6
162.09155	1.5
162.12752	0.9
163.11172	3.6
164.07028	1.0
164.10675	2.3
166.08607	2.4
167.07051	6.8
169.08636	1.5
172.11269	0.5
173.09651	2.0
174.09113	0.7
175.11266	0.7
176.10709	1.1
178.08641	0.8
178.12338	0.9
179.07033	0.6
180.13843	0.9
183.06606	0.5
186.09210	0.6
187.11296	0.5
188.10745	1.1
189.11356	0.5
190.08595	1.2
190.12273	2.8
191.10715	3.0
192.10234	1.9
192.13837	1.7
194.11812	0.5
196.09698	0.6
197.08098	23.1
200.10715	1.0
202.08598	0.5
202.12282	1.6
202.15950	0.5
203.13139	0.6
204.10170	2.1
204.13820	0.9
205.12288	0.7
206.11757	2.9
208.13351	1.2
210.09224	0.8
214.12296	1.2
216.13878	1.2
218.11765	0.9
218.15359	0.8
220.13318	1.2
220.16949	1.6
224.10675	0.5
228.10248	0.6
228.13774	1.0
230.15446	1.7
236.10750	0.5
238.12267	0.8
240.10072	0.5
240.13930	0.7
242.11746	0.8
242.15268	0.6
246.14903	2.5
248.16452	3.7
252.10179	0.5
252.13812	0.6
258.14813	1.0
259.09674	1.3
266.11789	0.9
267.12668	0.5
268.13373	0.8
270.14981	1.2
276.16022	0.5
280.13452	0.4
280.17044	0.8
282.15067	0.5
284.12701	0.6
287.11688	0.7
292.15323	0.6
293.10446	0.6
294.11252	1.4
294.14587	0.5
295.11682	0.5
298.14319	0.6
308.16394	1.9
310.17783	1.0
312.15973	0.6
312.19742	0.5
318.13412	0.8
324.19330	0.5
326.17755	0.4
328.15225	0.7
329.16248	0.7
336.15994	2.1
340.19141	1.5
342.20578	0.6
344.15002	0.9
346.16479	6.6
358.20230	2.4
360.18008	0.5
362.15961	15.8
362.20377	0.9
363.16080	0.8
368.18549	4.3
376.21356	2.7
386.19614	15.6
387.19922	1.3
404.20685	100.0
405.21002	8.1
422.21735	68.1
423.22025	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	422.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53989	0.5
52.37236	0.5
60.90874	0.5
67.05492	1.1
68.35252	0.5
69.03429	8.2
69.07065	0.6
69.53971	2.3
70.06598	5.6
71.04995	1.5
73.81694	0.5
79.05479	1.7
80.05022	0.7
81.07059	7.3
82.04179	0.5
82.06590	0.9
84.08138	1.9
86.06049	0.5
86.30804	0.4
89.74926	0.5
93.07043	1.5
94.06569	1.0
95.04974	0.8
95.08598	1.3
96.05766	1.0
96.08109	1.3
96.36745	0.5
97.02890	1.6
97.06517	0.8
97.08900	1.0
98.22710	0.6
105.07018	1.3
107.08576	4.8
109.06514	3.8
110.09697	3.6
111.08077	1.8
119.08545	0.9
121.06438	0.6
122.09666	1.7
123.08085	2.1
123.87643	0.5
124.08863	4.6
124.11183	0.7
125.05962	1.0
134.09641	0.7
135.08072	1.7
136.11226	1.2
137.05977	29.3
138.06290	0.9
147.08163	0.5
147.11642	0.7
150.09171	0.8
150.12741	0.8
152.10739	0.9
162.12753	4.1
164.14488	1.3
166.15984	0.9
175.11218	0.9
182.11852	0.6
184.13326	0.9
190.15909	1.7
192.13818	1.0
192.17491	0.7
198.14996	3.5
203.10736	0.6
218.15427	1.5
220.16960	0.8
221.11711	12.4
222.12099	0.7
236.16495	1.0
250.18050	7.5
251.18475	0.7
268.19128	0.7
278.21115	3.4
279.21405	0.7
290.17447	2.1
292.18988	2.5
306.20779	1.5
316.19080	16.4
317.19363	0.8
324.21802	1.9
372.21744	0.9
385.75494	0.5
390.22717	9.2
404.24313	43.4
405.24606	3.6
422.25369	100.0
423.25674	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	422.2534
Annotation	Leucostine
Peak:m/z	Relative Intensity
54.71273	0.4
55.01875	0.6
55.05495	0.3
59.05008	0.5
67.05503	0.5
69.03426	6.5
69.42089	0.9
70.06594	5.2
71.04990	1.4
77.03887	0.3
79.05499	1.3
80.05000	0.6
81.07057	7.8
82.06573	0.3
84.08128	1.6
85.06549	0.3
91.05469	0.6
93.07029	1.6
94.06582	0.7
95.04953	0.9
95.08566	1.6
96.05744	0.7
96.08136	1.2
97.02901	1.4
97.06542	0.5
97.08939	0.6
105.07018	1.6
107.08604	4.0
108.08156	0.4
109.06522	3.6
110.09658	2.7
110.27923	0.3
111.08089	2.2
119.08585	0.8
122.09655	1.8
123.08069	1.9
124.08858	3.6
124.11242	0.9
125.05997	0.8
129.06985	0.3
133.06503	0.4
134.09645	0.6
135.08051	1.5
136.11234	1.1
137.05978	27.3
137.12114	0.4
138.06306	0.9
142.01402	0.3
145.10143	0.8
147.11711	0.5
148.11214	0.6
149.12029	0.4
150.09148	0.8
150.12798	0.4
152.10696	0.4
160.11264	0.4
161.21576	0.4
162.12788	3.9
164.14375	0.9
166.15965	0.8
175.11189	0.9
179.16643	0.3
182.11797	0.7
184.13326	0.9
190.15952	2.0
192.13837	0.6
192.17519	0.8
198.14915	2.4
210.14813	0.6
218.15390	0.9
219.10225	0.7
221.11742	8.4
222.12119	0.6
232.13075	0.4
236.16461	1.1
250.14409	0.6
250.18011	6.2
251.18346	0.6
264.19720	0.8
278.21167	3.9
279.21652	0.6
290.17572	1.7
292.18970	2.2
306.20642	1.2
316.19070	13.4
317.19498	1.0
324.21802	0.9
372.21530	0.6
386.01419	0.4
390.22794	9.1
391.22885	0.7
404.24323	32.4
405.24673	3.6
422.25375	100.0
423.25729	13.4
423.31543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2534
Annotation	Leucostine
Peak:m/z	Relative Intensity
51.87626	0.4
53.48810	0.4
55.01857	0.5
55.05515	0.5
58.06594	0.8
59.05000	0.6
64.63151	0.4
67.05515	1.2
69.03428	6.6
69.03801	0.5
70.06596	4.9
71.05004	1.6
79.05513	1.4
80.05035	0.9
81.03430	0.8
81.07057	7.5
82.06562	0.6
84.08164	1.8
85.02908	1.0
91.05487	1.0
91.54306	0.4
93.07071	2.0
94.06574	0.8
95.04996	0.9
95.08615	2.0
96.05778	0.8
96.08151	2.1
97.02942	1.6
97.08938	1.4
98.23471	0.9
99.04546	0.5
105.07036	1.1
107.08588	4.0
108.08128	0.7
109.06532	3.2
109.10208	0.6
110.09706	2.9
111.04466	1.1
111.08093	2.3
115.03941	0.5
117.07121	0.6
118.06574	0.6
119.08620	1.3
120.08153	1.1
121.06454	0.5
122.07346	0.5
122.09695	2.1
123.08107	1.6
123.10446	0.8
123.63229	0.5
124.08875	3.0
124.11256	1.1
125.05997	1.1
127.03957	1.1
128.68512	0.4
131.00647	0.4
134.09689	2.0
135.08095	1.7
135.09962	1.0
136.11238	2.4
137.05977	24.6
138.12790	3.0
145.10165	0.6
146.06007	27.0
147.06406	0.8
150.09206	0.9
150.12834	1.2
152.10754	1.9
154.12285	1.8
162.12769	3.1
162.19289	0.6
163.26697	0.5
164.14439	2.0
166.15961	0.8
168.10347	0.6
180.13887	1.0
182.11797	1.1
184.13474	0.5
190.15982	1.5
192.13908	0.9
194.15543	0.5
196.13332	0.5
198.14803	2.5
221.11720	9.3
221.13705	0.7
236.16412	1.0
250.14343	0.9
250.18028	5.9
257.04535	0.8
278.17941	0.8
278.21271	4.0
290.17618	1.3
292.19208	1.8
306.20792	0.8
316.19061	12.5
316.22604	0.8
317.19696	0.7
324.21823	1.3
372.21774	0.6
390.22784	9.1
391.23242	0.8
404.24347	31.5
405.24686	2.5
416.59918	0.5
422.25507	100.0
423.10959	1.1
423.25839	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	422.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76764	0.3
55.01841	0.5
55.05486	0.4
58.06581	0.6
58.77795	0.3
59.04967	0.6
65.28169	0.3
67.05470	0.7
69.03427	6.1
69.84893	0.9
70.06593	6.0
71.04948	1.2
75.70835	0.3
77.85355	0.3
79.05482	2.0
80.04970	1.0
80.12003	0.3
81.07056	9.0
82.04198	0.7
82.06548	0.6
82.50159	0.3
84.08141	2.3
91.05447	0.8
91.36707	0.3
93.07042	1.9
94.06541	0.8
95.04946	0.6
95.08598	2.3
96.05718	0.8
96.08120	1.9
97.02879	1.7
97.06514	0.6
97.08868	0.7
99.04468	0.5
105.07030	1.4
106.06488	0.4
107.07938	0.4
107.08595	5.9
108.08086	0.7
109.05866	0.3
109.06515	4.7
109.10069	0.4
110.09673	4.0
111.08093	3.7
117.06989	0.5
119.08527	0.7
120.08083	0.5
121.06441	0.5
121.10081	0.4
122.09641	1.9
123.08064	2.0
124.08853	4.0
124.11182	1.3
125.05978	0.5
131.08540	0.7
133.06506	0.3
134.09621	0.9
135.08055	1.9
136.11188	1.1
137.05975	33.1
137.11961	0.5
138.06255	0.7
138.12791	0.5
142.07750	0.3
145.10057	0.8
147.08075	0.4
147.11659	0.5
148.11198	0.7
149.11940	0.3
150.09088	1.0
150.12762	0.6
151.07571	0.3
152.10703	0.4
157.10094	0.3
159.11717	0.3
160.11153	0.5
162.12761	4.3
164.14343	0.9
165.09167	0.4
166.12201	0.3
166.15881	0.7
168.10179	0.3
173.09558	0.4
175.11150	0.9
178.12300	0.4
179.16676	0.3
182.11685	0.8
184.13306	1.2
185.09550	0.4
190.15950	2.1
192.13815	0.9
192.17490	0.8
196.13281	0.9
198.14861	2.9
200.14313	0.3
203.10634	0.4
208.13193	0.3
210.14920	0.4
218.15317	0.9
219.10133	0.9
220.16899	0.4
221.11717	10.0
222.12128	0.5
234.14880	0.3
236.16451	1.5
238.62973	0.3
250.14453	0.7
250.18001	8.9
264.19559	0.6
274.17911	0.5
278.21185	5.0
290.17487	1.9
292.19055	2.6
306.20596	1.3
316.19077	15.9
317.19342	1.0
324.21786	1.6
372.21796	0.7
390.22745	10.9
391.22964	1.0
393.28296	0.3
393.59439	0.3
404.24310	39.7
405.24600	3.6
422.25360	100.0
423.25708	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	422.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66963	3.0
55.01872	3.7
55.05513	16.4
57.03435	5.5
57.07088	3.5
67.05504	47.3
69.03434	8.5
69.07075	11.6
70.06579	8.3
71.04989	7.3
71.08636	9.3
79.05492	18.4
81.03352	3.8
81.07054	41.1
81.07503	5.3
82.06593	4.2
83.08609	7.7
84.08174	5.4
86.98483	3.1
91.05488	13.7
93.07053	24.3
95.08602	12.8
97.10159	6.8
99.08091	5.6
104.99287	5.3
105.07036	51.8
107.08621	18.8
109.06527	9.5
109.10131	25.3
110.09721	4.5
111.08087	11.1
119.08621	4.5
121.10139	8.5
122.09702	3.4
124.08847	4.8
125.09657	4.7
133.10107	5.7
135.11714	6.1
136.11188	6.4
137.05959	33.8
149.13252	9.3
150.09123	4.0
151.07500	4.5
152.10719	4.3
159.11703	6.5
165.09027	5.3
165.12773	5.6
173.11784	11.4
175.11166	5.0
177.12798	9.5
179.14444	3.8
187.35652	3.6
210.14771	3.6
221.11707	8.0
229.14330	50.5
236.16447	4.1
243.13803	26.6
250.17984	11.0
269.17471	56.7
277.21683	9.3
316.19113	15.6
334.27936	3.8
340.15234	9.9
351.25204	18.5
369.26251	14.5
376.21375	3.8
390.22769	8.5
404.19711	5.2
404.24606	41.5
422.20773	18.5
422.25998	100.0
422.33661	4.1
423.23257	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59921	1.0
56.96563	13.7
63.31055	1.3
63.54607	1.0
69.03427	4.8
69.07070	1.2
70.13564	1.5
70.13898	2.4
81.03452	1.5
84.96033	4.3
85.02914	2.7
97.02892	2.0
98.97581	39.5
110.97561	10.4
112.99106	1.3
116.98627	10.1
121.06489	1.5
124.99127	1.9
128.46028	1.1
128.98607	7.8
134.99643	1.7
136.07538	1.3
137.06047	1.3
140.98618	2.1
143.00215	5.5
144.97993	1.6
146.99657	4.6
147.06458	1.8
149.05965	2.6
152.08214	1.3
152.98566	5.5
155.00136	6.1
158.99739	6.7
161.01239	3.2
167.07051	20.1
170.99663	6.3
172.04277	4.5
173.01237	16.3
175.02841	1.7
177.00656	4.6
177.05502	6.3
189.00760	3.3
189.04443	1.8
191.02284	7.6
201.00735	4.2
201.04355	1.3
209.08063	5.9
211.09796	2.1
215.02271	5.0
219.01764	17.7
222.01215	1.2
227.09082	13.7
231.01874	1.9
237.02840	20.7
244.96654	1.4
261.02814	2.2
261.06540	4.5
274.97397	1.3
279.04437	1.0
279.07492	30.5
280.08093	1.4
297.08591	4.0
309.08545	4.9
309.61887	1.1
341.63776	1.4
363.09634	1.3
377.11182	48.0
378.11621	2.3
381.03391	1.7
387.09235	1.4
399.04526	1.6
405.10699	51.7
406.10837	3.0
422.21832	2.6
423.12537	100.0
423.21332	9.9
424.12814	4.5
424.19299	2.8
438.94052	1.2
441.12677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
56.05025	0.6
56.96568	0.9
57.07079	2.7
67.05513	4.2
67.17773	0.4
69.03408	0.9
69.53194	1.1
69.53578	0.8
70.06588	1.8
76.75424	0.4
81.03413	0.8
82.42361	0.5
84.04497	2.4
84.08141	1.5
85.06546	10.3
86.09708	0.9
90.01592	0.4
96.04500	4.4
97.02869	1.3
98.06068	2.1
98.23389	0.7
109.02888	0.9
110.07168	2.6
116.22626	0.4
116.98547	0.5
119.03518	0.7
120.08072	1.2
126.05502	4.8
127.03941	0.6
129.10219	1.9
136.06184	100.0
137.04582	0.8
137.06552	1.4
138.05499	25.1
140.62016	0.4
144.06535	5.6
147.07614	0.7
168.06567	4.4
179.59727	0.5
186.07603	3.9
189.10040	0.8
202.10884	1.7
204.08664	4.5
220.11932	95.0
221.12233	3.5
346.13214	0.6
364.14352	1.0
377.21506	0.8
382.15320	0.7
406.15607	2.8
406.20163	0.7
423.13000	0.5
423.22086	8.9
424.23389	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.27632	0.5
56.05030	0.7
56.72779	0.5
60.04521	0.7
67.05499	0.6
68.05046	0.7
69.03433	1.4
69.87563	1.6
70.06590	1.3
74.92685	0.5
75.56408	0.5
78.50001	0.4
80.46883	0.5
81.03411	1.3
84.04501	2.0
84.08133	2.3
96.03939	0.7
96.04491	5.8
97.02898	1.3
98.06048	2.9
98.23464	0.7
109.02872	1.7
119.03560	0.8
121.54344	0.5
126.05519	5.3
126.57812	0.5
129.10280	0.8
136.06184	63.8
137.04515	0.5
137.06544	0.8
137.85107	0.4
138.05502	31.3
139.05838	0.9
144.06548	7.8
148.06169	5.8
168.06561	5.1
185.08200	3.1
186.07629	4.5
198.35132	0.5
202.10869	9.0
204.08675	5.8
220.11934	100.0
221.12289	2.9
384.40826	0.5
423.12503	0.8
423.22357	2.0
424.23209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08639	8.5
91.05481	19.2
105.07050	14.0
107.04993	8.0
121.06519	36.9
137.05997	16.2
161.05995	11.4
167.07080	21.6
202.46558	7.1
269.11630	11.3
290.99026	8.4
301.10696	10.1
315.12167	14.5
326.25082	7.7
405.24438	11.9
419.18542	7.8
423.16739	14.9
423.21381	100.0
423.26978	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29849	11.6
55.33599	10.4
55.70018	12.4
57.98235	10.1
69.87608	20.1
69.87959	38.4
70.06595	22.0
70.58137	10.5
73.86030	10.2
76.59560	10.3
79.05506	15.0
81.07063	19.2
81.74036	10.0
88.07636	20.2
91.05496	22.0
98.22770	22.0
98.43024	10.7
102.09202	16.3
107.04976	27.6
121.06526	61.4
124.15673	10.6
135.08096	17.0
137.06036	21.4
145.06480	21.6
149.02344	68.6
150.02670	30.4
156.93192	12.0
161.06076	32.8
167.07033	87.9
190.65013	10.6
193.04956	68.5
194.05374	21.5
226.06152	15.5
241.08667	25.3
255.10144	17.7
256.26453	26.8
257.26682	24.2
269.11639	35.2
283.09741	15.2
283.16769	20.6
301.10654	14.4
315.12354	58.5
422.29074	26.0
423.21371	76.1
423.29761	100.0
424.22461	20.5
439.42328	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	423.2227
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.33345	1.4
52.02681	1.5
53.03959	5.4
55.01874	4.4
55.05515	41.7
57.03433	4.0
57.07081	20.0
57.07345	2.7
59.05006	4.6
61.02922	2.4
66.78012	1.5
67.05503	2.2
68.99763	2.5
69.03438	32.6
69.07070	57.4
69.07449	3.1
69.46379	1.6
70.09544	4.8
70.18006	1.8
71.04991	3.9
71.08642	13.8
73.02914	2.4
79.05532	1.8
81.03423	19.8
81.07065	8.0
83.08623	100.0
84.08947	4.1
85.02907	48.4
85.07606	1.5
87.00838	26.4
97.02886	12.5
97.10181	17.3
99.04453	8.1
101.09666	1.7
105.01879	21.9
109.02901	14.3
111.04421	1.5
111.08095	3.7
124.81953	1.6
127.03918	39.9
129.01892	1.9
139.14824	23.5
145.04980	7.1
155.14307	7.6
157.15887	41.7
159.02913	5.3
175.16953	2.8
183.13809	4.5
186.41100	1.6
201.14911	2.9
213.03969	3.2
227.12892	2.3
231.05002	25.0
272.08786	1.6
292.70648	1.8
369.19089	5.4
423.21997	5.4
424.18658	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50729	1.5
53.03938	5.6
54.52610	1.7
55.01867	3.6
55.05264	2.4
55.05510	36.2
55.29019	2.1
57.03433	4.1
57.07078	21.9
59.04993	7.4
61.02912	2.2
63.28583	1.8
67.05503	2.3
68.99779	1.8
69.03433	25.4
69.07069	56.0
71.04985	3.4
71.08636	14.8
73.06549	2.0
79.05490	2.9
81.03419	16.7
81.07055	8.5
83.08624	100.0
85.02907	44.2
87.00832	24.5
91.05479	2.3
93.07051	3.0
95.04906	2.7
95.08598	3.0
97.02883	15.0
97.10173	14.5
98.23530	3.5
99.04453	5.8
99.08092	3.9
101.09648	1.5
104.28655	1.7
105.01864	23.3
105.07014	1.9
109.02885	13.4
109.06533	2.9
111.04449	5.8
124.11253	2.1
127.03923	33.4
128.51534	2.1
129.05537	2.5
137.05981	2.0
139.14822	19.5
142.12259	3.4
145.04973	6.0
147.06578	2.7
157.15884	92.5
158.16261	3.8
159.02864	3.5
165.09134	2.1
175.16919	2.3
203.05252	2.4
206.84047	2.0
213.03970	2.8
231.05003	6.5
233.06549	4.3
259.07794	2.3
260.09943	2.2
339.80200	2.0
406.22159	12.8
423.22275	22.7
424.23270	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	423.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94480	1.0
53.03945	1.8
55.01878	2.8
55.05514	38.2
57.03441	1.9
57.07081	17.3
61.02928	1.9
67.05523	1.1
68.99802	1.1
69.03435	12.9
69.07072	38.4
69.07454	2.0
69.45647	5.6
71.05024	1.8
71.08634	9.5
81.03412	6.3
81.07058	5.8
83.08624	100.0
84.08965	2.7
85.02908	32.6
87.00841	19.7
87.08094	1.2
89.07824	1.1
97.02891	7.6
97.10181	17.7
99.04472	3.5
105.01868	27.0
105.02533	1.8
109.02885	7.9
111.04387	1.1
119.08596	1.1
127.03920	18.6
130.63640	1.1
139.14833	18.6
141.06999	3.2
145.04930	7.8
147.02945	1.1
157.15887	31.4
159.02960	1.4
163.13123	1.2
163.34036	1.1
167.14240	1.3
175.17020	1.6
189.04008	1.5
231.05046	4.2
251.55322	1.4
251.58234	1.4
350.11386	1.4
405.20886	1.7
406.22147	1.5
410.92856	1.1
423.21991	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	423.2228
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	2.9
55.01866	2.5
55.05255	2.0
55.05513	30.5
57.03436	2.8
57.07080	20.5
61.02938	2.6
64.90842	1.1
65.03917	1.4
65.75292	0.9
67.05516	2.2
68.99810	1.5
69.03426	14.2
69.06712	2.1
69.07069	30.3
70.96770	1.6
71.04998	2.4
71.08629	5.4
73.02912	1.7
79.05514	2.2
81.03425	8.8
81.07058	7.9
83.08622	100.0
84.08942	2.5
85.02908	32.0
85.06550	4.7
87.00829	17.4
91.05500	1.5
93.07044	2.5
95.08615	3.6
97.02901	12.2
97.10172	14.7
98.22701	1.1
99.04464	3.9
105.01862	15.4
105.07030	3.1
107.08567	3.0
109.02894	8.4
109.06524	2.4
119.08585	3.1
121.10178	2.4
127.03924	18.6
131.08582	2.3
133.10129	6.2
134.10451	1.2
137.09639	3.5
137.53168	1.1
139.14838	16.5
141.12756	18.7
143.08572	1.2
143.97441	1.2
145.04962	6.3
145.10139	1.8
147.04416	1.5
157.10207	1.7
157.15877	35.2
159.02898	2.7
159.11700	1.7
159.13820	7.4
171.11855	1.1
173.13266	3.5
175.14803	1.4
175.16885	2.1
191.14250	1.9
192.14673	1.7
203.14215	1.5
213.04025	1.4
231.05008	4.1
246.36786	1.1
249.05894	1.3
269.32040	1.1
301.18176	1.3
406.22104	1.5
423.22137	6.0
425.76474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09930	1.0
53.03954	1.1
55.05513	17.6
55.70203	1.0
57.03437	11.8
57.07075	7.9
66.65302	0.9
67.05508	20.0
69.07072	25.1
69.41576	4.4
71.05001	1.5
71.08633	3.6
79.05497	9.5
81.07060	18.9
83.08613	15.9
85.06554	1.4
85.10187	1.7
91.05482	2.9
93.07055	11.7
95.04988	1.4
95.08607	15.8
97.06538	3.6
97.10175	8.7
98.23445	1.9
99.08150	1.2
105.07075	2.1
107.08604	7.6
109.06536	3.0
109.10166	8.3
111.08090	3.0
111.11715	2.6
113.00018	48.2
119.08566	3.0
121.02862	1.4
121.10136	8.3
123.08067	13.3
123.11731	4.5
125.09673	1.5
133.10135	1.5
135.08054	4.3
135.11694	6.3
137.09546	1.2
137.13229	2.2
140.42844	1.0
149.09587	1.6
149.13292	2.9
159.11623	1.6
161.18559	1.1
169.02617	31.8
169.03960	2.1
173.05061	1.0
179.14343	9.2
187.03726	2.5
199.26930	1.1
219.21118	1.1
237.22163	3.5
275.20111	1.4
294.98624	1.0
303.26636	1.7
311.25812	100.0
312.26025	5.9
331.26257	11.9
423.27084	91.7
423.31339	17.0
424.22437	1.5
424.27505	5.1
424.32108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92217	0.4
55.05472	0.4
57.07072	0.7
69.07063	0.6
87.15504	0.4
89.06017	1.8
93.07020	0.4
95.08666	0.5
117.55542	0.4
117.92751	0.4
121.75162	0.5
126.35651	0.4
133.08551	0.6
170.27461	0.4
170.73676	0.4
179.14299	1.0
239.14932	1.3
334.27396	1.8
374.49689	0.4
423.30804	100.0
424.31116	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
55.05510	3.8
57.03447	1.4
57.07084	5.3
67.05503	8.0
69.03412	1.0
69.07065	3.6
70.06611	1.0
71.08634	4.3
71.45047	0.8
79.05494	4.4
81.07058	10.4
83.08618	1.5
84.08143	1.0
85.06535	2.2
91.05462	4.1
93.07038	5.1
95.04969	1.1
95.08605	8.7
97.06519	1.3
98.06033	2.6
99.08076	1.3
105.07034	3.6
107.04991	0.7
107.08584	5.6
107.77523	0.8
109.06513	16.9
109.10155	3.4
119.08581	3.2
121.02845	1.1
121.10179	4.3
121.84410	0.7
122.07298	2.2
123.08062	25.1
125.24931	0.9
127.11141	0.8
131.08521	1.0
133.10139	2.6
135.08017	6.1
137.09598	1.5
145.10112	1.9
147.11700	3.6
149.13254	1.6
159.11699	1.0
161.13313	1.3
163.11148	0.9
165.12749	0.9
167.14218	0.9
173.13292	1.9
176.17918	0.9
177.12772	1.2
179.14304	68.1
180.14661	2.1
191.14339	1.2
193.15923	1.9
205.15892	3.3
233.18922	1.6
257.18979	0.9
271.55603	0.8
275.19998	2.0
283.16885	1.9
303.26825	1.8
331.26306	27.7
332.26703	2.3
339.23303	1.0
393.27039	0.8
423.31033	100.0
424.31354	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01848	1.2
55.05515	5.0
57.03440	2.2
57.07080	5.1
65.03944	0.4
67.05164	0.6
67.05502	7.5
69.03395	0.4
69.07069	7.5
69.11021	1.0
69.11439	1.9
71.04977	1.1
71.08633	4.1
75.04453	0.5
77.03922	0.6
79.05098	0.6
79.05494	5.9
81.07060	13.0
83.04976	1.0
83.08626	3.4
85.06544	2.4
91.05487	3.3
93.07048	7.2
95.04951	1.0
95.08035	0.6
95.08614	10.3
97.06511	1.8
97.10153	1.6
98.23498	1.0
99.08083	1.7
105.07026	3.9
107.08605	6.7
109.06528	16.3
109.10153	5.0
111.08060	1.7
113.00025	3.9
119.08582	4.6
121.06487	0.8
121.10147	3.9
122.07263	1.5
123.08070	31.3
123.11698	1.2
123.35679	0.5
124.08387	1.2
125.09594	0.5
131.08554	1.6
133.10129	3.3
135.08058	7.2
135.11685	2.1
137.09618	1.8
137.13214	1.0
145.10110	1.4
145.54643	0.4
147.11726	2.0
149.09618	1.6
149.13316	1.5
151.14862	0.5
159.11691	1.5
161.13272	1.1
163.14857	0.4
165.12801	1.2
167.14336	1.2
169.02625	2.9
173.11725	0.6
175.14769	0.7
177.12761	1.4
179.14314	70.7
180.14664	3.0
185.13158	0.5
189.56833	0.4
191.14294	1.0
193.15892	3.2
205.15901	2.9
219.17545	0.6
233.19107	1.0
263.20120	1.2
275.20090	1.9
282.81732	0.4
289.25186	0.6
293.21149	1.0
303.26895	2.1
311.25812	7.6
312.26135	0.6
313.25067	0.7
331.26337	27.8
332.26651	1.9
349.27350	6.5
367.24869	0.8
405.24939	0.6
405.29883	2.0
423.31079	100.0
424.23016	0.6
424.31418	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01870	0.9
55.05513	5.1
57.03440	2.1
57.07073	2.2
67.05502	7.0
69.03419	0.5
69.07067	7.1
69.20626	2.3
69.69444	0.4
71.04974	1.2
71.08623	2.1
76.91373	0.4
79.05492	4.2
81.06622	0.8
81.07060	9.9
82.78811	0.4
83.04990	0.7
83.08627	3.1
84.50603	0.4
85.06534	1.1
89.06036	1.2
91.05474	1.8
93.07043	5.7
95.04961	1.2
95.08608	8.8
97.06529	1.9
97.10190	1.1
99.08089	1.3
105.07036	3.5
107.08589	5.7
109.06520	9.8
109.10172	4.2
109.87275	0.4
111.08098	1.8
117.07008	0.7
119.08579	4.8
121.06522	0.8
121.10157	3.8
122.07285	0.7
123.08069	43.5
123.11687	1.4
124.08424	0.7
125.09637	0.6
131.05035	0.5
131.08580	2.0
133.08592	0.6
133.10115	2.9
135.08054	6.4
135.11679	1.3
136.08817	0.5
137.02623	0.5
137.09625	2.2
145.10146	2.3
147.11678	2.5
149.09631	2.1
149.13255	1.7
151.11125	0.6
159.11700	2.1
161.13243	1.3
163.11211	0.5
165.12724	1.1
167.14348	1.0
173.13271	1.0
175.14845	0.7
177.12782	3.2
179.14310	29.9
180.14647	1.3
191.14391	0.7
193.15933	1.2
205.15883	1.0
212.05936	0.4
216.56921	0.4
216.76334	0.5
229.62309	0.4
233.18987	1.1
239.14914	0.6
247.20494	0.8
263.20111	1.4
275.20056	2.9
293.21042	3.4
303.26785	3.2
331.26312	23.0
332.26627	1.8
349.27386	6.3
350.27667	0.7
367.24771	1.3
405.30005	1.7
423.31039	100.0
424.31393	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	423.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.4
55.05510	24.8
57.07079	39.4
58.46494	2.6
67.05495	10.7
68.99783	11.9
69.07069	30.0
71.08634	15.7
75.59858	2.6
79.05486	9.3
81.03441	3.1
81.06714	2.4
81.07065	21.9
83.05001	5.7
83.08624	22.9
85.10162	3.4
89.06017	5.4
92.02930	2.5
93.07062	15.9
95.08602	16.4
97.06525	12.9
97.10157	10.5
98.98473	3.6
107.08592	14.5
109.10159	5.7
111.00818	50.4
111.04435	8.5
111.08096	6.7
111.11773	3.1
121.10146	12.4
125.06006	5.6
125.09635	4.6
126.03139	2.7
127.03911	16.8
135.08075	2.8
135.11691	12.8
139.03929	28.9
139.07530	2.8
139.11096	4.4
145.10168	3.5
149.09630	3.5
149.13263	8.4
163.11124	2.6
167.07005	5.0
167.10599	5.0
175.28571	2.6
181.08589	7.7
195.10139	5.1
209.11650	13.9
223.13301	13.3
226.50029	2.7
237.14810	11.6
251.16443	14.4
265.17950	16.7
279.19623	14.1
285.49667	3.0
293.21152	14.1
295.37082	2.8
307.22763	10.8
321.24188	9.1
335.25656	7.9
349.27338	8.5
405.33615	100.0
406.33923	8.3
423.34900	51.2
424.34915	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	424.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91615	0.6
56.96568	6.0
69.91783	2.0
84.83621	0.8
86.08948	1.0
98.22744	1.1
98.97582	75.7
104.69173	0.9
116.98623	36.8
134.99654	9.5
153.03662	0.8
177.00934	1.2
216.98915	6.6
219.02130	0.9
222.97913	1.2
233.72498	0.8
235.00009	10.1
240.98836	17.6
253.01183	1.8
257.74957	0.9
258.99847	99.4
260.00024	5.0
261.03146	2.3
262.03256	1.7
263.02863	2.7
264.99048	2.5
274.97571	1.8
277.00867	79.5
278.01038	5.7
282.01279	1.5
282.99994	98.2
284.00143	1.5
284.39355	0.8
284.99808	2.2
298.97855	1.2
301.01044	100.0
302.01202	2.6
303.00888	2.1
316.98804	1.0
319.02069	4.5
324.02826	1.0
359.00192	2.1
364.98898	1.2
383.00116	8.6
401.01102	29.9
402.01324	4.1
406.99942	4.5
408.45590	0.9
419.01917	3.4
424.02371	1.0
425.01141	49.4
440.98605	1.2
442.19537	1.1
443.02209	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72079	0.8
61.02987	0.7
63.60085	0.7
69.32784	4.0
84.08154	0.9
92.12048	0.7
99.24946	0.8
111.08067	1.1
134.17688	0.7
136.88029	0.7
145.04979	1.2
149.05757	5.2
171.49359	0.8
183.06560	0.9
188.14505	1.0
202.15979	1.0
210.08954	1.3
304.15482	1.9
308.12619	3.5
309.13416	8.3
312.15598	1.6
320.18637	1.3
326.13678	7.4
327.14291	2.1
362.17191	0.9
378.22464	1.2
380.18384	2.2
406.16248	3.1
406.25851	1.4
424.17365	100.0
424.23175	8.5
425.17670	6.6
425.24545	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	424.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01870	12.1
55.05507	25.5
57.03436	15.7
57.07069	7.1
61.02927	10.2
64.50753	5.8
65.60347	5.2
65.97763	5.8
67.05508	59.4
68.99782	10.5
69.03435	84.4
69.07063	67.0
69.22453	27.2
69.22864	10.0
71.04987	37.6
73.02879	8.4
79.05489	21.3
81.03407	37.1
81.07052	79.2
81.93717	6.4
83.08622	30.8
85.02901	100.0
87.00833	53.8
91.05490	15.8
93.07027	34.8
95.04964	9.4
95.08616	63.7
97.02894	81.7
97.06522	7.8
99.04449	20.9
99.08134	6.7
105.01865	51.4
105.07043	21.6
107.08591	46.0
109.02886	33.0
109.05662	5.8
109.06512	9.2
109.10133	24.5
111.08065	6.9
115.03933	19.0
119.08568	39.5
121.06537	13.6
121.10152	60.7
123.11713	54.4
125.09604	8.9
127.03914	97.4
130.31548	5.9
131.08553	12.8
133.10135	44.8
135.11687	21.2
137.06001	5.8
137.13264	5.5
141.12755	38.4
143.08597	8.7
145.04932	42.8
145.10124	15.1
147.02892	9.0
147.11696	21.1
149.13216	12.4
151.11125	11.2
155.08522	8.5
157.10164	9.0
159.02910	15.4
159.11710	11.3
161.04475	12.1
165.12854	6.1
169.09982	6.8
171.11586	7.5
173.13242	8.7
175.14833	39.9
177.16376	43.9
187.14812	16.9
189.16402	8.9
195.17397	7.2
198.75768	5.8
219.04916	7.6
227.14359	9.3
231.05003	23.7
231.13680	10.0
245.15065	6.6
249.14890	15.5
285.18533	18.0
303.19583	11.2
309.16763	8.2
335.14767	18.5
388.74771	6.7
389.19650	11.8
406.22028	12.7
407.20602	15.3
424.22311	37.2
424.27664	10.4
425.21759	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	424.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.3
55.01888	3.5
55.05508	8.2
57.03436	5.3
58.06633	1.6
59.05023	1.4
61.02950	1.5
63.72049	1.4
67.05508	23.6
68.05020	2.0
69.03429	29.1
69.07076	3.7
70.06599	5.0
70.96988	2.3
71.04996	40.7
71.05400	2.1
73.02927	3.4
79.05499	9.0
80.05019	14.1
81.03426	11.5
81.07059	70.4
82.06597	2.5
83.08633	1.9
84.08145	2.2
85.02909	36.7
85.06542	10.8
87.00825	17.4
87.04478	2.6
91.05483	4.7
93.07048	5.2
94.06564	3.0
95.04976	3.7
95.08604	10.6
96.08157	4.0
97.02898	18.0
97.06535	2.3
97.10158	2.0
98.06078	1.6
99.04455	10.8
99.08108	7.9
100.07637	2.6
105.01865	14.2
105.07047	6.3
107.08608	4.1
108.08141	1.6
109.02876	11.2
109.06535	5.8
109.10148	1.4
110.09678	3.7
111.08092	14.0
112.11266	4.7
113.09673	2.1
115.03926	5.2
119.08580	2.6
121.10152	3.3
122.09686	14.3
123.11713	30.0
124.07512	1.7
124.11240	3.4
125.06005	1.5
125.09663	3.1
127.03918	22.2
128.32971	1.4
131.08601	2.2
133.04959	2.3
134.09651	2.3
135.08093	2.2
136.11243	2.5
137.05939	1.7
139.07559	13.0
140.10715	30.8
141.12744	59.5
142.12279	3.7
143.10011	1.7
145.04965	6.9
145.10130	1.8
151.07544	2.5
152.10658	2.9
154.12222	1.9
156.13831	2.4
158.11765	40.4
159.02937	5.1
159.13795	21.5
162.12747	1.6
181.12253	1.6
182.11813	3.1
183.06642	1.8
195.13795	4.7
198.14989	2.0
214.14317	2.3
221.42195	1.6
222.11304	3.1
222.14696	1.9
223.13374	8.0
231.05067	5.4
241.26512	1.6
250.17805	1.7
260.16489	2.7
262.18033	2.8
292.19128	2.4
309.16931	1.9
318.20605	17.8
320.18781	2.3
353.15720	2.6
378.22977	2.9
392.24188	9.2
406.21890	16.6
406.25958	37.5
407.26617	3.0
424.22839	63.8
424.26978	100.0
425.23389	5.5
425.27551	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	424.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05499	0.7
58.06594	0.4
64.12837	0.3
67.05510	0.4
69.03429	3.6
69.40675	1.5
69.40998	0.4
70.06589	4.2
71.04987	2.4
77.87086	0.3
79.05482	0.8
80.05035	0.6
81.07045	1.5
82.06570	0.6
82.42623	0.3
83.07374	0.6
84.08148	1.6
91.05484	1.0
93.07052	1.1
94.06566	0.9
95.04981	0.9
95.08604	1.4
96.08148	2.2
97.02911	0.7
97.06515	1.0
97.08901	1.2
98.23475	0.8
99.04440	0.5
105.07001	0.6
107.08585	0.7
107.63094	0.4
108.08132	0.9
109.06459	0.4
110.09665	2.4
111.08077	13.7
111.10455	0.7
113.09591	0.7
119.08551	0.6
121.10144	0.7
122.09641	2.2
123.08057	0.4
124.11203	2.7
125.06003	0.4
125.12052	0.5
134.09637	0.8
136.11195	2.3
137.05986	1.4
138.12746	0.6
139.07523	1.9
140.08339	1.9
150.09106	1.4
150.12764	0.5
152.10680	1.7
153.05382	0.6
154.12280	0.7
160.11211	0.5
162.12701	1.7
164.14334	2.2
166.12248	0.6
168.10158	1.0
170.11749	1.6
178.15800	0.4
180.13815	2.4
182.11766	3.9
182.15361	3.0
184.13364	1.7
190.15775	0.7
194.15448	0.4
195.16187	1.0
196.13365	0.6
200.12709	0.4
208.13283	0.5
208.16951	2.7
210.14919	0.8
220.13258	0.6
221.11845	0.7
222.14857	0.5
234.14951	1.2
236.16481	2.0
237.11261	1.1
262.18073	0.5
264.19635	0.8
266.17529	0.6
306.16998	0.8
308.18564	6.0
308.38800	0.4
320.18564	0.9
326.19662	2.6
332.18536	3.4
360.22018	0.9
378.22742	0.5
388.21439	2.1
406.22214	14.8
407.22559	1.1
424.23270	100.0
425.23575	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62113	0.3
58.06599	0.8
67.05502	0.7
69.03434	3.5
69.07105	0.3
69.96966	0.5
69.97301	0.7
70.06590	3.1
71.04984	0.9
79.05490	1.2
80.05022	0.9
81.07053	2.3
82.06560	0.5
84.08150	2.1
86.06055	0.4
86.09697	0.5
87.04513	0.4
91.05477	0.5
93.07040	1.1
94.06551	0.7
95.04968	0.8
95.08618	0.9
96.08131	1.4
97.02888	1.2
97.06543	0.4
97.08925	0.7
99.04449	0.5
100.07724	0.3
102.44891	0.3
105.07031	0.4
107.08620	1.5
108.08127	1.5
109.06519	1.2
110.09690	4.7
111.08080	3.6
113.09606	0.5
119.08597	0.3
121.06509	0.4
121.10185	0.4
122.09660	1.2
123.04457	0.4
123.08127	0.6
124.08933	0.4
124.11238	0.8
125.09648	0.6
131.08621	0.4
134.09703	0.5
135.08020	0.4
136.11223	1.0
137.05977	5.9
137.09566	0.4
138.12857	0.4
139.07571	0.9
140.08211	0.3
146.09528	0.4
147.08026	0.4
150.09138	0.8
150.12708	0.3
152.10751	0.7
153.05420	0.4
154.12285	0.5
162.12825	0.9
163.11333	0.6
164.14473	0.5
166.12312	0.7
168.10188	0.6
170.11757	0.6
178.12199	0.4
182.11801	3.8
182.15421	0.6
184.13342	4.4
192.13887	0.5
196.13416	0.4
200.12820	0.7
206.15453	1.0
208.17026	0.7
219.10103	0.7
221.11732	1.7
222.14868	0.4
232.13322	0.4
234.14905	0.8
236.16496	1.5
237.11351	0.7
250.14488	0.6
252.16022	1.6
262.18170	0.4
280.19073	1.4
281.19669	0.4
292.18954	0.7
308.18555	2.5
316.19034	0.6
320.18539	2.0
326.19608	1.0
332.18460	3.7
350.19580	0.4
360.21680	3.5
378.22986	2.4
388.21179	1.5
406.22253	14.4
407.22488	1.3
417.97733	0.4
424.23285	100.0
425.23624	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	424.2333
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
53.03939	0.3
55.01880	0.4
55.05507	0.5
56.05038	0.3
57.03428	0.5
67.05502	1.8
68.05009	0.7
69.03434	2.4
69.07061	0.5
69.65367	1.3
70.06580	0.5
71.05003	2.5
71.08614	1.0
73.95045	0.4
79.05476	1.2
80.05016	1.0
81.03413	0.7
81.07058	2.9
81.83785	0.3
82.06590	0.6
83.01339	0.9
85.02903	2.1
85.06517	0.4
86.06055	0.6
87.00787	0.7
87.34100	0.4
91.05482	0.5
93.06992	0.7
94.06564	1.1
95.04957	1.1
95.08598	1.4
96.08135	0.5
97.02869	0.4
99.04445	1.0
99.08061	0.5
100.07611	0.4
103.05440	0.5
105.01835	0.6
105.07041	0.6
107.08586	0.7
108.08099	0.6
109.02882	0.7
109.06509	1.4
110.09668	0.5
111.08079	2.2
112.07587	0.4
113.09631	1.5
115.03910	1.6
120.08095	0.9
121.06509	0.6
122.09631	1.1
123.08041	0.4
123.11690	1.6
124.11244	2.2
126.12772	0.6
127.03956	1.9
127.48640	0.3
129.05447	0.5
130.06467	0.4
131.08592	0.7
132.08070	0.9
134.09631	0.5
135.08073	0.4
136.11172	0.8
137.05978	0.6
137.09598	0.3
138.09154	0.4
138.12752	0.5
139.07571	2.1
140.10690	1.6
141.12733	1.8
142.12299	3.5
143.03352	0.5
145.04991	0.7
147.04306	0.4
148.11197	0.5
149.09628	0.4
150.09099	0.7
151.03885	0.7
152.10684	0.5
154.12267	0.5
155.07008	1.8
156.13716	0.5
157.08740	0.4
158.11757	2.3
159.13770	0.7
162.12758	0.9
165.05466	1.0
166.15860	0.4
171.10207	0.3
172.11203	0.4
176.14323	0.5
180.13805	0.6
182.11700	0.6
182.15378	0.6
183.06493	1.4
186.12773	0.8
188.14339	1.0
192.13792	0.7
194.15353	1.0
204.13823	1.4
206.15382	2.1
220.13324	0.5
220.17119	0.4
221.14154	0.4
222.14851	0.7
223.13319	0.7
224.16475	1.0
232.17119	0.4
234.14813	0.8
242.15373	0.4
246.18440	0.6
248.16589	0.6
250.17995	1.0
262.17957	0.8
266.14075	0.4
278.17505	0.5
297.28064	0.4
308.18579	5.4
309.18939	0.4
310.12918	0.7
318.20505	1.4
388.21097	0.4
392.24170	0.8
406.21780	11.5
406.25873	1.9
407.22482	0.8
424.23083	100.0
425.23477	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	424.2331
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
55.01874	0.5
58.06586	0.5
59.06106	0.3
62.63412	0.3
67.05502	1.0
69.03429	14.9
69.68616	1.1
70.06590	4.9
71.04983	1.5
75.57910	0.3
79.05107	0.3
79.05486	1.5
79.81371	0.3
80.05013	0.4
81.07052	1.9
83.04973	0.4
84.08154	1.0
85.02902	1.0
91.05490	0.6
93.07022	1.0
94.04932	0.3
94.06575	0.8
95.04975	0.7
95.08597	0.7
96.08131	1.2
97.02909	0.5
97.06538	0.6
97.08909	0.4
98.23476	0.6
99.04493	0.3
104.58985	0.3
105.07030	1.1
107.04926	0.5
107.08620	0.5
108.08125	0.8
109.06527	2.9
109.10186	0.3
110.09687	1.3
111.08083	0.8
117.07027	0.4
119.08588	0.5
120.08123	0.5
121.06508	0.9
122.09690	1.2
123.04430	0.7
123.08062	0.5
124.07597	0.4
124.11253	0.5
125.06010	1.2
127.07584	0.7
131.08560	0.4
133.06473	0.4
134.09630	0.5
134.60106	0.3
135.04395	2.6
136.11203	2.2
137.05977	0.4
138.09274	0.3
139.07608	0.6
147.08081	0.5
148.11166	0.5
150.09134	1.1
151.07520	0.4
152.10713	1.0
153.05469	2.4
160.11214	0.4
162.09271	0.3
162.12804	1.1
163.11281	0.4
164.14304	0.8
168.10242	0.6
170.11844	0.7
173.09618	0.5
182.11769	2.8
182.15443	0.9
184.13332	1.9
194.15533	0.5
196.13380	0.4
204.13835	0.6
206.15340	0.7
208.13326	0.6
208.17108	0.4
218.15388	0.4
219.10162	1.5
222.15004	0.5
223.50444	0.3
234.14941	0.9
236.16454	3.9
237.11220	5.0
237.16679	0.4
260.16473	0.4
264.19632	0.4
266.14056	0.4
275.91116	0.3
278.17499	3.2
278.20288	0.5
280.19177	2.3
294.17130	0.4
296.18784	0.5
306.17035	0.7
308.18567	3.6
312.06244	0.3
320.18576	0.7
326.19604	1.0
332.18542	6.1
339.22513	0.3
378.22729	2.0
388.21005	0.4
406.22244	22.7
407.22424	1.5
424.23282	100.0
425.23608	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2331
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
52.40856	0.4
53.03945	0.5
55.01870	0.6
55.05513	1.6
56.05033	2.4
67.05499	1.3
68.05023	2.1
69.03437	0.5
69.07073	3.4
69.40616	2.1
70.06579	0.5
79.05481	2.1
80.05014	26.9
81.05344	0.6
81.07048	1.7
82.06580	1.6
84.04489	0.9
84.08128	0.8
85.02946	0.6
85.06564	0.5
86.06087	1.0
93.07024	0.9
94.06554	1.2
95.04968	0.7
95.08617	1.2
96.08110	3.2
97.06544	2.6
98.06096	0.8
98.22652	0.9
104.58508	0.5
105.07069	2.2
106.81448	0.5
110.07877	0.5
112.07610	1.3
112.11244	7.2
115.03986	0.6
122.09660	29.1
123.10032	0.8
124.11213	0.7
127.03932	1.1
138.09103	0.5
140.10696	78.1
141.11020	2.3
142.12282	1.7
145.04945	0.6
152.54250	0.4
155.03447	0.6
158.11758	100.0
159.12099	2.7
183.06618	1.2
196.06969	0.5
204.13844	0.5
232.65182	0.5
267.12122	0.6
288.04556	0.7
406.22134	4.3
424.23126	27.4
425.23550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.233
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
56.05010	0.4
57.01290	0.1
57.03405	0.1
67.05494	0.3
68.05019	0.2
68.42959	0.1
69.03421	0.7
69.95609	0.3
70.06597	0.7
71.04977	0.3
79.05505	0.2
81.07038	0.4
82.06551	0.3
83.04948	0.2
84.08134	0.6
85.06535	0.2
86.06079	0.2
87.04453	0.4
88.34250	0.1
91.05472	0.3
93.07018	0.4
94.06551	0.4
95.04961	1.6
95.08599	0.2
96.08116	0.3
98.06055	0.2
98.09659	0.2
105.03359	0.1
105.07005	0.4
107.08601	0.2
108.08089	0.2
109.06535	0.2
110.09666	0.4
112.07619	0.2
113.05989	0.2
115.03916	0.3
119.07237	0.1
119.08562	0.2
120.08092	0.6
121.06488	0.2
122.09639	0.5
123.04425	0.2
123.08002	0.2
124.07529	0.1
124.11217	0.3
128.88087	0.1
131.08560	0.3
132.08031	0.2
133.08974	0.1
133.10094	0.3
134.09641	1.2
135.08017	0.2
135.10440	0.2
135.11623	0.2
136.11195	1.7
137.05948	0.2
142.12271	2.2
143.08505	0.2
144.08110	0.2
145.10077	0.3
146.09625	0.3
147.10454	0.3
147.11549	0.2
148.11180	0.7
149.09593	0.2
150.09079	0.3
150.12752	0.1
153.06908	0.2
157.10127	0.3
160.11177	0.2
161.09583	0.2
162.12726	0.6
163.11200	0.3
163.13487	0.3
164.10770	0.3
164.14349	0.3
171.11775	0.1
172.11147	0.4
173.09552	0.2
174.12770	0.5
175.11162	0.2
176.10701	0.2
176.14317	0.9
177.15144	0.2
178.12245	0.3
181.06566	0.1
182.11746	0.2
183.11604	0.2
184.11137	0.2
186.12801	0.9
187.11198	0.2
187.13533	0.3
188.14299	0.6
190.12225	0.3
191.10736	0.1
192.13750	0.3
198.12794	0.3
199.07469	0.3
199.13522	0.3
200.14340	1.2
201.15089	0.2
202.12238	0.2
202.15886	0.3
204.13847	1.5
205.14546	0.2
206.15445	0.2
207.06775	0.2
212.14339	0.3
214.12335	0.2
216.13860	0.3
218.11813	0.2
218.15375	1.3
220.17012	0.2
224.82646	0.1
226.15823	0.2
227.07028	0.9
228.13834	0.5
228.17484	0.4
229.14499	0.2
230.15356	0.2
231.13820	0.1
232.13272	0.3
232.16866	0.3
238.15907	0.2
244.16866	0.2
246.14894	0.5
246.18465	1.0
246.20618	0.2
256.17062	0.7
260.16647	0.2
264.16083	0.2
272.16428	0.3
274.18002	5.8
275.18207	0.3
278.17560	0.2
286.18088	0.2
290.17468	0.3
292.19034	6.8
293.19406	0.4
302.17477	4.2
303.17798	0.3
308.18585	0.2
314.21017	0.2
320.18549	37.0
321.18878	3.0
332.22360	0.3
342.20673	0.4
360.21649	2.4
361.21973	0.2
378.22726	22.5
379.23083	1.8
388.21127	0.4
406.22250	3.5
407.22647	0.3
424.23242	100.0
425.23572	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	424.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46807	0.4
55.05517	3.0
55.91156	0.4
61.04033	0.6
63.73562	0.4
67.05495	1.0
69.03432	2.2
69.07059	0.9
70.06586	2.0
70.88939	0.6
71.05002	3.7
79.05507	1.1
80.05011	4.5
81.03368	0.5
81.07065	4.1
82.06570	0.9
83.04971	2.0
83.08616	1.3
84.08174	0.5
85.02913	1.7
85.06549	0.9
85.69102	0.4
87.04456	0.5
89.12830	0.5
89.13416	0.4
91.05475	1.0
93.07036	1.7
94.06572	1.2
95.04977	11.8
95.08593	1.2
96.08126	0.7
97.02918	0.8
97.06500	0.5
98.06037	1.1
99.04433	2.9
100.95914	0.5
102.41058	0.5
105.07038	1.3
107.08593	2.6
108.08126	0.9
109.06519	1.9
109.10118	2.2
111.08106	1.2
113.06001	0.7
116.07062	0.5
119.08582	1.3
120.08119	0.8
121.06511	0.9
121.10148	5.3
121.54857	0.5
122.09669	1.5
123.08092	1.3
123.11716	0.6
124.62516	0.5
125.09624	1.0
127.03984	1.3
129.08492	0.5
131.08578	0.7
133.10149	2.0
134.09647	0.9
135.08067	0.7
136.11212	5.5
137.05977	3.5
137.11974	0.5
138.09160	5.1
139.11172	2.5
140.10695	0.8
145.10089	0.5
147.11697	0.8
148.07234	1.1
149.09662	0.4
150.09120	1.0
151.11176	2.2
153.09105	1.1
154.12289	0.9
156.10204	3.5
163.14874	1.1
164.10771	0.6
166.08694	0.7
167.14333	2.0
168.10266	0.5
173.13281	1.3
180.13812	0.8
182.11798	1.5
183.13914	0.5
184.09729	6.6
186.11249	1.1
191.14320	2.3
192.13770	0.7
194.15364	0.8
209.15372	12.8
210.15805	0.5
222.14909	1.8
227.16473	1.3
234.14816	0.6
236.16484	0.7
238.14415	0.8
262.18030	1.2
263.35843	0.4
280.19116	1.6
282.16949	0.5
308.18503	3.4
320.18628	3.2
326.19699	3.3
338.19821	0.7
360.21704	1.2
365.05423	0.6
378.22812	4.1
388.21576	0.5
396.23526	0.8
406.22281	3.4
424.23309	100.0
425.23639	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2331
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
55.01854	0.7
55.05507	0.6
56.05031	0.4
57.20666	0.3
67.05500	0.9
68.05023	0.4
69.03432	6.5
69.07098	0.3
69.71756	0.2
70.06594	4.2
71.04992	3.0
79.05495	1.3
80.05006	0.6
81.07065	1.4
83.04978	0.5
84.08138	2.2
85.02870	0.4
85.06535	0.4
85.08476	0.3
86.09705	0.8
91.05494	0.9
93.07053	0.7
94.06557	0.6
95.04973	0.8
95.08602	1.3
96.08129	0.5
97.02900	0.6
97.06550	0.6
98.06007	0.3
98.23518	0.7
99.04470	0.4
105.07021	0.8
107.04953	0.5
107.08566	0.5
108.08119	0.5
109.06538	1.3
110.07230	0.4
110.09677	1.2
111.08086	1.6
112.07623	0.4
113.03439	0.4
119.08544	0.4
120.08105	1.1
121.06509	0.5
122.09673	1.5
123.04461	0.6
123.08090	0.5
124.07603	0.8
124.11217	0.5
125.05990	1.1
125.09634	1.7
129.10237	0.5
130.06499	0.3
131.08582	0.6
132.38960	0.3
134.09692	1.3
135.04359	0.7
135.08101	0.5
136.07591	0.8
136.11176	1.7
139.03899	0.5
145.10210	0.4
146.05974	0.7
148.11304	0.5
148.85045	0.3
150.09154	1.3
151.07520	0.5
152.10692	0.9
153.05473	0.8
153.09111	1.8
154.12297	0.4
155.10696	0.6
160.11198	0.7
162.12767	1.0
163.03929	0.5
163.13492	0.7
164.10684	0.6
164.14427	0.4
168.10210	0.9
174.12860	0.4
179.64285	0.3
182.11769	3.4
184.13406	1.8
190.12341	0.4
192.13731	0.5
200.12785	0.5
204.13773	0.4
208.17119	0.3
220.02876	0.7
232.13463	0.4
233.14058	0.4
234.14865	0.9
236.16463	1.7
237.11266	1.1
246.14996	0.5
255.12285	0.9
260.16437	0.6
262.17938	0.5
278.17688	0.6
280.19080	0.5
292.19186	0.5
308.18607	0.7
320.18524	0.7
322.20248	1.0
332.18594	1.9
336.17969	0.4
336.21579	0.5
340.71320	0.3
346.06003	0.5
350.19882	0.5
360.21655	0.4
378.18652	0.5
378.23004	0.7
388.21130	0.4
396.23767	0.7
406.22314	8.9
407.22784	0.4
424.23288	100.0
425.10089	1.2
425.18320	0.5
425.23648	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25864	0.4
53.76563	0.4
55.01876	0.5
55.05514	0.5
66.53843	0.3
67.05505	0.6
69.03429	7.9
69.11120	2.3
70.06590	3.7
71.04996	2.1
79.05501	1.2
80.05001	1.8
81.07068	1.7
82.06580	1.0
83.01331	0.6
84.08139	1.8
85.02911	0.6
86.09712	0.6
87.04465	0.5
91.05511	0.8
93.07059	0.8
94.06591	0.5
95.04970	1.9
95.08606	0.5
96.08140	1.6
97.02916	0.9
97.06528	0.5
97.08927	1.0
98.23505	0.7
99.04451	0.6
105.07055	0.5
107.08611	0.6
108.08155	0.6
109.06513	2.6
110.09695	2.4
111.08073	2.5
119.08610	0.7
120.08135	0.8
121.06522	0.6
122.09682	1.2
123.04438	0.8
123.08104	0.8
124.11250	0.7
125.05994	1.2
125.09592	0.5
130.06569	0.5
131.08569	0.5
134.09633	1.0
135.04411	2.1
136.11243	1.5
137.05992	1.5
137.09659	0.5
138.09154	0.6
139.07573	0.5
140.08302	0.4
140.10773	0.4
147.08063	0.6
148.11273	0.4
150.09174	1.4
151.07623	0.5
152.10756	0.9
153.05475	2.6
154.12251	0.4
156.10225	0.5
160.11278	0.4
162.12837	1.1
164.10745	0.4
168.10248	0.9
170.11830	0.6
180.10080	0.4
180.13887	0.5
182.11775	3.2
182.15483	0.8
184.09734	1.1
184.13367	2.8
187.55305	0.4
187.68967	0.4
190.12100	0.4
196.13309	0.5
198.11380	0.5
200.12834	0.7
206.15285	0.4
207.98250	0.4
208.17050	0.5
219.10292	1.0
234.15034	0.5
236.16443	3.1
237.11212	2.9
264.19485	0.4
266.13800	0.5
278.17603	1.6
280.19153	1.5
292.19049	1.2
296.18735	0.5
306.16998	0.9
308.18567	3.0
320.18671	0.8
326.19647	1.3
332.18536	5.0
333.18726	0.5
336.17975	1.6
378.18945	4.0
378.22876	0.7
388.21280	1.1
406.22348	19.3
407.22668	1.2
424.23380	100.0
425.23795	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	424.2484
Annotation	Militarinone C
Peak:m/z	Relative Intensity
55.01880	0.3
55.05512	0.7
56.05043	0.4
67.05505	1.4
68.05005	0.2
69.42523	0.3
69.42891	0.3
70.06593	1.0
70.18703	0.1
79.05492	0.2
82.06593	0.6
84.08144	74.8
85.08472	0.9
93.07056	0.2
95.04976	0.4
95.08604	5.9
96.08130	0.3
97.08891	0.5
105.07018	0.5
108.08100	0.2
109.06524	0.2
115.28627	0.1
120.08102	0.3
123.04426	3.5
123.08050	1.3
123.10447	0.4
133.06532	0.2
151.07562	1.8
174.12721	0.2
179.30003	0.2
191.07016	0.2
220.13322	100.0
221.13664	3.7
276.19550	0.5
424.17865	1.0
424.24231	1.5
425.25146	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	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.5
55.05745	1.4
57.07082	1.6
61.90449	0.9
67.05521	3.4
69.03441	4.4
69.07069	5.2
70.06601	1.3
70.69276	1.0
71.05003	4.0
71.08700	1.0
71.69621	0.9
79.05496	5.0
80.05039	2.8
81.07059	6.3
83.04984	9.2
83.08624	12.7
85.02902	6.5
85.06577	3.8
91.05523	4.4
93.07050	15.0
94.06602	0.9
95.04979	18.8
95.05534	1.5
95.08608	5.5
97.02943	1.3
97.06544	6.1
97.10204	3.4
99.04487	4.3
99.08120	1.3
100.07574	0.9
105.07030	6.1
107.08600	20.7
109.02946	1.1
109.06507	7.8
109.10175	8.9
111.08092	9.2
113.06053	1.2
113.62015	0.9
115.03977	1.2
115.07574	8.1
119.08591	6.7
121.10151	50.9
122.09721	2.3
122.10517	1.7
123.08113	1.8
123.11767	3.1
125.09663	4.4
127.03937	2.2
129.05565	1.1
131.08595	2.7
133.10126	8.7
134.09750	1.0
135.08133	2.8
135.11729	2.7
136.11267	3.4
137.06039	2.0
138.09172	1.9
139.11203	1.1
145.05045	1.9
145.10213	2.0
147.10666	1.1
147.11769	3.6
149.13226	4.9
149.41887	1.1
150.09203	2.1
151.11197	16.9
152.10649	1.6
153.09111	7.3
154.12321	1.6
156.10269	2.0
163.14838	12.7
163.16034	1.2
166.08690	1.1
167.14323	18.8
168.10300	2.0
173.13251	8.4
175.14873	2.2
182.11888	3.4
183.06575	2.2
184.09785	3.0
191.14302	17.1
198.11292	1.3
209.15378	100.0
210.15788	3.7
222.87480	1.0
225.14915	1.2
227.16452	10.7
255.83516	1.0
280.19052	1.2
308.18671	1.1
310.17761	1.0
328.15390	1.1
336.17892	3.4
350.16263	1.7
360.22086	1.0
371.34195	0.9
378.18958	6.8
378.23001	3.0
388.21469	1.9
406.18207	2.5
406.22656	9.0
424.23535	75.5
425.23941	5.4
433.18234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90003	1.5
55.05512	15.8
59.05005	1.9
67.05519	1.6
69.03416	1.8
69.07068	4.6
70.61450	1.9
71.04989	3.7
74.03254	1.7
79.05508	3.5
81.07063	5.5
83.04977	9.3
83.08625	13.2
83.16441	1.4
85.02921	2.0
85.06574	2.2
91.05479	3.0
93.07057	12.7
95.04977	12.9
95.08625	4.1
97.06545	4.8
97.10183	2.4
99.04494	2.8
105.07029	2.8
107.08592	16.7
109.06519	5.6
109.10154	9.0
109.51672	1.5
111.08118	4.2
115.07574	8.1
119.08590	5.1
121.10150	54.2
123.08121	1.6
123.11724	3.1
125.09639	4.4
131.08545	3.0
133.10136	11.7
135.08020	1.6
135.11690	4.1
147.11746	1.8
149.13298	4.6
151.11186	20.0
153.09116	5.4
163.14835	14.3
167.14328	25.2
173.13327	7.8
175.14857	2.9
191.14311	15.8
209.15373	100.0
210.15749	5.8
227.16408	9.0
396.88351	1.5
424.23172	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.2
67.05502	1.7
68.05007	0.8
69.03432	5.2
69.07056	1.9
69.27382	1.7
69.27794	1.8
70.06583	1.2
71.04996	2.4
79.05497	1.1
80.05019	0.7
81.03415	2.3
81.07050	2.4
82.06554	0.6
83.04977	3.5
83.08621	3.2
84.08137	0.8
85.02912	7.0
85.06546	2.5
86.06062	0.6
87.04448	1.2
88.22662	0.6
91.05499	1.6
93.07035	2.5
94.06559	0.8
95.04971	15.3
95.05534	1.2
95.08634	2.0
97.02908	2.7
97.06546	1.6
97.08926	0.8
98.22622	0.7
99.04459	5.3
100.07592	1.2
105.07024	1.4
107.08599	3.1
109.02879	1.3
109.06528	1.9
109.10170	2.2
110.09698	1.8
111.08084	6.1
113.06030	1.4
113.09629	0.7
115.03942	4.2
115.07620	0.6
117.07056	0.7
119.08609	1.5
121.06548	1.1
121.10146	3.0
122.09673	1.8
123.08105	0.9
123.11682	1.0
124.11224	1.6
125.09623	0.7
127.03936	3.6
129.05521	1.1
131.07040	2.0
131.08575	0.7
133.04977	1.4
133.10136	2.3
134.09663	1.0
135.08011	0.8
136.07619	0.8
136.11183	1.0
137.05978	0.6
138.09129	1.4
139.07562	1.0
140.10661	0.8
141.09123	1.3
142.12299	3.5
143.08647	0.6
145.04921	2.8
145.10185	0.7
147.11681	0.9
148.09662	1.7
148.11317	0.7
149.13263	1.1
150.09146	1.1
151.11176	4.8
153.09109	5.0
154.38884	0.6
156.13794	0.9
159.10208	0.7
160.11205	0.6
163.14775	1.2
165.05511	0.8
167.07001	0.7
167.14301	5.6
168.10280	1.2
172.11182	0.6
173.13324	1.1
182.11862	1.1
183.06544	1.4
184.13387	1.2
191.14333	1.7
204.13876	0.9
209.15376	30.8
210.15619	1.2
218.15363	0.7
221.11639	0.7
227.16441	5.6
248.16331	0.8
260.16443	1.5
274.17938	1.2
277.09164	0.9
278.17551	0.9
280.19186	0.8
285.08969	0.7
292.19064	1.3
297.56528	0.6
302.17642	1.2
308.18655	0.9
319.72287	0.6
320.18521	6.8
326.19455	1.1
362.19452	3.4
366.19211	1.2
370.19669	0.8
378.22784	5.2
380.20929	0.9
388.21109	2.5
403.29306	0.6
406.22229	14.0
407.22562	1.4
424.23251	100.0
425.23557	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05506	6.2
57.03440	1.3
57.07085	4.1
67.05498	4.9
69.03432	2.8
69.07068	19.4
69.16081	6.8
69.16509	1.7
71.04995	3.2
71.08295	1.3
71.08616	5.5
73.02911	5.3
77.92093	1.0
79.05485	2.9
81.03423	2.2
81.07059	21.4
83.04964	2.8
83.08622	5.8
85.02905	23.7
85.06540	5.1
85.10191	2.4
91.05499	2.8
93.07055	3.7
95.04977	2.3
95.08605	9.4
97.02929	1.4
97.06527	3.0
97.09141	1.1
98.99972	1.1
99.03899	1.0
99.04442	7.1
99.08086	1.7
101.02369	8.8
105.07038	7.6
107.08602	8.5
109.06502	8.0
111.08069	2.1
113.06018	1.6
119.08595	4.4
120.04438	1.3
121.10152	14.1
123.08064	5.7
123.11708	28.8
127.03931	2.7
127.07552	7.2
129.05476	1.3
137.13214	1.6
141.09166	2.3
142.12282	4.7
145.05000	1.2
147.11688	33.8
155.14290	10.1
165.12761	22.9
183.13802	89.8
184.14215	3.0
201.14854	100.0
202.15193	4.7
305.98019	1.1
334.14536	1.3
395.55652	1.1
406.22195	12.9
407.22812	1.5
424.23364	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.4
57.03439	1.9
57.07087	3.3
61.02897	1.1
67.05504	3.9
69.03441	3.3
69.07069	20.6
69.21712	6.8
71.04985	3.5
71.08628	3.0
73.02924	1.5
79.05508	2.6
81.03406	1.4
81.07059	22.1
83.04992	2.8
83.08621	7.7
84.08958	1.5
85.02906	27.2
85.06559	5.9
93.07058	3.4
95.08625	7.9
97.02882	1.6
97.06527	3.0
97.10188	1.5
98.22675	2.0
99.04436	8.1
99.08106	1.6
101.02388	2.7
105.07036	9.6
106.24148	1.3
107.08609	7.2
109.06514	7.1
109.10141	1.7
113.06032	2.4
115.05396	1.5
119.08585	3.9
121.10140	10.2
123.08072	4.7
123.11700	28.7
127.03922	3.1
127.07565	8.7
141.06996	28.6
141.09065	3.9
141.12755	2.1
142.12209	1.7
145.05000	1.8
147.11684	30.7
155.14313	6.9
165.12769	19.8
183.13802	100.0
184.14151	3.5
187.98456	1.3
201.14851	96.1
202.15344	3.8
403.11090	1.3
406.21695	9.3
424.23120	9.0
425.30917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34964	1.9
55.01891	2.9
55.05512	6.4
63.50033	1.8
64.86600	1.8
67.05497	3.1
68.05822	1.7
69.03429	9.1
69.07071	13.5
71.08635	12.3
81.03413	4.7
81.07066	12.9
82.17706	2.1
83.08619	8.2
85.02910	12.3
85.06548	8.8
87.00824	3.7
91.05494	2.0
93.07041	4.7
95.05002	3.1
95.08627	5.8
97.02921	4.1
99.00811	3.9
99.04463	4.1
99.08080	8.9
105.01854	2.3
108.08813	2.4
109.02862	3.2
109.06506	5.5
111.08085	71.6
119.08603	4.3
121.06577	2.1
121.10168	4.2
123.11669	4.5
124.11225	4.0
127.03927	8.6
127.07478	2.2
129.05522	2.6
129.24144	2.0
131.08562	3.4
137.06001	3.4
142.12241	9.6
145.05005	3.1
147.11726	4.0
151.07597	2.1
155.14316	90.6
156.14684	3.0
159.13797	3.4
183.13815	100.0
184.14189	4.0
201.14856	43.8
227.16495	3.0
231.05196	2.4
245.11826	4.0
245.17603	3.6
397.23529	2.5
406.22247	20.6
407.22253	2.3
424.18610	7.1
424.23715	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05512	1.6
58.06596	0.9
59.05022	0.6
65.03963	0.7
67.05496	1.3
68.05030	1.1
69.03430	17.2
69.07083	1.0
69.44099	2.1
69.44482	1.3
70.03782	0.6
70.06598	4.7
71.04989	4.2
79.05493	2.2
80.05014	8.0
81.07065	3.2
82.06593	1.0
83.07404	0.5
84.08144	1.9
85.02879	0.7
85.06540	1.7
86.06078	0.9
87.96331	0.5
91.05489	1.0
93.07010	2.7
94.06584	0.9
95.04970	0.8
95.08612	2.1
96.08132	1.8
97.02881	0.6
97.06547	1.9
99.04467	4.3
100.07602	1.0
105.07038	1.6
107.08613	1.6
108.08122	0.6
109.06528	4.2
109.10176	1.7
110.09690	3.3
111.08090	17.6
112.11251	2.5
115.03945	0.9
117.06965	1.0
119.08550	1.1
120.08100	0.8
121.10184	0.8
122.09667	8.0
123.08070	1.1
124.11234	1.6
125.05977	1.0
125.09611	1.5
127.03906	1.1
130.06554	0.7
131.08609	0.9
133.10179	1.4
134.09659	1.1
135.08020	0.7
136.11256	0.6
137.06067	0.7
137.09612	0.8
139.07545	17.1
139.61746	0.6
140.10710	18.6
142.12274	2.4
147.08043	0.7
147.11549	0.5
149.09644	1.3
150.09085	0.6
152.10721	1.0
152.56409	0.6
153.09160	0.9
154.12271	1.0
158.11772	21.4
159.08066	0.6
159.11842	1.0
159.75050	0.6
173.27705	0.7
177.12735	1.4
182.11836	1.3
183.06465	0.9
184.13332	0.8
195.13814	8.6
198.14917	2.9
205.12305	0.8
221.11748	2.7
222.87450	0.6
223.13315	9.8
237.11359	0.7
252.15952	0.7
260.16559	1.7
262.18127	0.6
292.19153	1.9
318.20688	10.0
319.20782	0.7
374.23087	1.1
378.22226	0.6
392.24326	8.7
406.26132	33.3
407.26431	3.2
424.27383	100.0
425.22418	1.3
425.27878	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	424.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05519	0.6
58.06590	0.4
59.04985	0.6
67.05496	0.9
69.03430	11.1
69.44044	1.3
69.44450	0.8
70.06591	2.9
71.04991	1.9
75.66606	0.3
79.05489	1.4
80.04990	0.6
81.07049	1.0
82.06590	0.8
84.08142	1.8
85.06531	0.8
91.05499	0.5
92.09539	0.4
93.07037	1.9
94.06563	1.5
95.08607	1.5
96.08133	1.8
97.06526	0.6
99.04456	4.0
105.07041	1.4
107.08600	1.1
108.08128	0.9
109.06515	0.7
109.10152	1.0
110.09689	1.7
111.08085	10.8
116.56336	0.4
117.07054	0.5
119.08544	0.9
119.12875	0.5
121.10137	0.5
122.09695	1.6
124.07605	0.5
124.11190	0.6
125.06007	0.7
125.09628	1.0
132.08084	0.4
133.10126	0.9
134.09662	1.3
135.08046	0.5
136.11247	0.5
137.06027	0.6
139.06529	0.4
139.07542	9.7
139.08563	0.7
146.09599	0.6
147.11710	0.5
148.11247	0.7
149.09621	1.0
150.09155	1.0
152.10748	1.7
153.09178	0.7
159.11787	0.5
160.11234	1.1
162.12854	0.8
164.10669	0.6
172.11385	0.5
177.12787	0.9
178.12291	0.7
182.11833	1.7
184.13258	0.6
188.14299	0.4
195.13789	5.6
196.13422	1.2
198.14876	1.3
212.12991	0.4
214.14450	1.5
221.11766	0.9
223.13309	6.4
224.13658	0.4
252.15997	0.7
260.54602	0.4
292.19058	1.5
318.20639	12.1
318.24130	0.8
319.20734	1.0
329.02866	0.4
374.23257	0.7
392.24280	8.4
393.24838	0.6
406.25864	31.4
407.26215	2.8
424.26910	100.0
425.27255	7.7
426.32962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2694
Annotation	Dihydrogadesine
Peak:m/z	Relative Intensity
55.05514	1.8
60.59959	0.4
67.05521	1.4
68.05022	0.4
69.03429	19.6
69.03804	1.0
69.07070	0.8
69.45000	2.1
70.06599	4.3
71.04995	5.5
79.05504	1.5
80.05003	2.5
81.07065	2.0
82.06586	0.6
84.08144	1.6
85.06564	1.1
88.59239	0.4
91.05488	1.1
93.07034	2.8
94.06583	0.7
95.04961	0.9
95.08627	1.9
96.08162	1.6
97.06529	0.8
97.08929	0.5
99.04465	5.5
99.12839	0.5
105.07064	1.4
107.08628	1.4
108.08185	0.5
109.06540	1.3
109.10156	1.1
110.09655	2.5
111.08085	19.1
111.08829	1.0
119.08631	1.1
120.08132	0.7
121.06550	0.6
121.10180	0.9
122.09641	2.8
123.08091	0.8
124.11201	0.5
125.09677	1.3
131.08524	0.7
133.10158	0.8
134.09633	1.0
135.08092	1.2
136.11264	0.9
137.05965	0.6
137.09659	0.8
139.06464	0.8
139.07541	17.1
140.07924	0.5
140.10699	3.8
142.12335	0.7
147.08052	0.6
149.09680	1.5
150.09079	0.7
152.10765	0.9
153.09204	0.9
158.11758	5.6
159.11777	1.5
175.11081	0.6
177.12833	1.8
183.06549	0.6
188.14320	0.6
195.13832	8.4
197.30714	0.6
198.14900	2.5
205.12125	0.6
210.14923	0.7
219.10330	0.4
221.11862	1.9
223.13298	10.5
292.19177	1.9
318.20587	11.0
318.24026	0.7
319.21231	0.7
374.23373	1.0
387.05804	0.5
392.24295	10.6
393.24750	1.0
406.25970	37.9
407.26270	2.8
424.27094	100.0
425.27451	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	424.2694
Annotation	Dihydrogadesine
Peak:m/z	Relative Intensity
53.53746	0.4
55.01866	1.0
55.05513	0.5
56.05045	1.0
57.03429	1.0
67.05511	0.9
69.03421	3.7
70.06601	2.4
79.05502	1.4
81.07029	2.0
82.06573	0.7
83.05003	0.5
84.08131	2.3
85.02917	0.6
85.85222	0.4
91.05476	0.8
93.07046	1.5
94.06584	1.3
95.04992	0.8
95.08607	1.2
96.08147	1.6
99.04480	1.0
102.19161	0.4
105.07053	1.3
106.73846	0.4
107.08606	1.8
108.08133	1.3
108.09126	0.4
109.06534	1.3
110.09680	3.0
111.08080	2.6
117.07033	0.7
119.08608	1.1
120.08095	0.8
121.10153	0.7
122.09679	1.6
123.08087	0.8
124.07644	0.5
124.11229	0.6
125.06002	1.0
131.08551	0.8
133.10164	0.8
134.09657	1.7
136.11223	3.4
137.05945	0.5
138.12791	0.8
139.07570	1.1
145.10124	0.7
146.09621	0.5
147.72153	0.4
148.11244	1.7
149.09628	0.8
150.09250	0.4
150.12796	0.7
152.10672	0.7
159.11774	0.6
160.11241	0.9
162.12819	2.3
164.14392	3.6
176.14301	0.5
195.13747	0.8
198.14854	1.2
204.17390	0.9
223.13319	1.1
236.16544	0.9
248.16483	1.1
262.18173	0.5
274.21774	1.3
290.21118	0.7
292.18933	2.1
318.20636	31.2
319.21066	2.2
348.25323	1.1
362.26929	3.3
374.23129	0.5
392.24271	8.3
393.24600	0.9
406.25900	35.1
407.26468	2.8
424.26947	100.0
425.27307	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	424.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51797	0.4
55.01897	0.7
55.05516	0.6
57.72285	0.3
59.04982	0.4
67.05505	1.1
68.05032	0.5
69.03426	9.0
69.08353	2.6
70.06598	2.7
71.04994	2.5
73.46646	0.4
75.06371	0.5
79.05505	1.5
80.05032	1.2
81.07057	1.8
83.04990	0.6
84.08151	1.9
85.06566	0.7
91.05480	1.2
93.07048	1.7
94.06582	1.2
95.04987	0.6
95.08620	1.5
96.08138	1.1
97.06548	0.5
99.04467	3.0
105.07047	0.8
107.08601	1.4
108.08135	1.1
109.06546	0.7
109.10163	0.9
110.09698	2.7
111.08082	10.0
116.31300	0.4
119.08578	0.9
120.08130	0.7
121.10113	0.4
122.09683	2.0
123.04438	0.4
124.11249	0.5
125.05977	0.7
125.09651	1.6
126.54691	0.4
131.08612	0.9
133.10162	0.6
134.09668	1.4
135.08043	0.5
135.11662	0.6
136.11208	3.4
137.05989	0.8
137.09689	0.5
137.11540	0.4
139.06477	0.7
139.07539	8.7
145.10156	0.5
147.04451	0.7
147.40010	0.4
148.11275	0.7
149.09660	1.4
150.09155	0.9
152.10759	1.7
153.09103	0.9
153.11093	0.5
154.12407	0.4
159.11713	0.8
160.11259	0.8
161.09695	0.4
162.12761	0.8
166.12250	0.5
177.12819	0.7
180.13799	0.5
182.11821	1.7
188.14410	0.4
195.13794	4.6
196.13295	0.7
198.14856	2.1
214.14380	1.1
221.11801	1.1
223.13281	4.4
252.16068	0.5
253.49464	0.4
292.19214	1.5
318.20636	12.3
319.20987	0.7
374.23190	0.8
392.24338	8.0
406.25882	28.5
407.26102	2.3
424.26913	100.0
425.27261	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.03416	0.4
57.07079	1.1
60.04518	1.6
65.03944	3.5
67.05491	1.8
68.05035	0.5
68.05846	0.4
69.03417	0.6
69.07073	1.7
70.06572	0.4
71.08626	1.0
79.05503	0.8
81.07060	2.2
83.04986	0.4
83.08618	1.1
84.08144	0.7
91.05466	0.5
93.03452	0.5
93.07047	1.2
95.04962	0.8
95.08629	1.8
97.10176	1.0
98.06046	1.4
107.08597	0.5
109.06491	0.5
109.10146	1.1
111.04432	1.5
113.00022	1.5
121.02868	100.0
121.03904	4.1
121.10146	1.1
122.03197	1.8
123.08028	0.5
123.11627	0.4
123.90131	0.3
128.70116	0.4
133.08565	0.4
138.05501	6.4
139.05894	0.4
147.11607	0.4
169.02635	0.8
179.14325	1.3
180.06548	1.6
180.14607	1.0
206.98761	0.3
209.09352	0.4
210.07532	0.4
250.25262	3.9
251.23552	0.6
268.26422	4.4
283.16986	1.5
286.27414	7.3
287.27710	0.4
304.28455	8.2
305.28784	0.6
312.25830	2.0
312.29056	0.9
332.26630	0.7
339.23303	1.0
388.28510	2.6
389.26456	0.4
406.29510	9.1
407.29556	0.8
420.45673	0.4
424.23318	1.8
424.30783	10.0
425.21240	0.5
425.31290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03943	1.5
55.01858	0.5
55.05519	2.6
57.03441	0.5
57.06815	0.4
57.07074	1.7
60.04520	0.4
67.05506	4.4
68.05036	0.7
69.07072	4.0
71.04980	0.5
71.08630	1.2
77.03933	1.9
79.05084	0.7
79.05494	4.6
80.05013	2.2
81.03416	0.5
81.07063	6.5
82.06581	0.9
83.04974	1.6
83.08630	2.1
84.04511	1.5
85.02921	0.4
85.10194	0.6
86.44611	0.4
91.05481	2.7
93.07061	2.3
95.04967	10.1
95.08607	5.5
95.28899	0.4
96.05360	0.4
97.10183	1.3
99.04433	0.6
102.05538	3.0
105.03397	100.0
105.04531	3.8
105.07048	1.2
106.01936	0.4
106.03743	2.1
107.08601	1.6
109.06519	1.7
109.10175	2.5
111.08095	1.6
111.11726	0.7
119.08580	2.1
121.10175	1.0
122.06036	17.4
122.09635	0.6
123.08067	0.8
123.11692	1.3
133.10158	1.5
134.06061	1.1
135.11697	0.7
137.13240	0.4
147.11678	1.4
148.07588	1.2
149.13284	0.4
161.13165	0.5
164.07074	7.0
178.08676	1.0
205.19745	0.6
206.08189	2.0
223.20647	0.4
224.09167	2.2
231.21034	2.6
237.22177	0.5
248.23735	2.4
249.22112	7.8
266.24796	1.1
267.23239	3.2
284.25766	0.5
352.26355	0.9
370.27432	4.9
388.28464	12.3
389.28812	1.2
396.30896	0.6
406.29541	17.3
407.29941	1.7
424.23230	1.5
424.27805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.7
57.03435	0.7
61.86430	0.4
62.06077	0.7
65.53447	0.5
67.05222	0.4
67.05506	3.3
68.02682	0.4
69.03407	0.5
69.07074	2.5
70.06578	1.2
70.61449	0.8
71.08631	6.0
72.08142	1.2
76.41173	0.4
79.05468	2.1
80.05009	0.6
81.07062	5.8
84.04513	0.4
84.08122	1.0
85.06548	0.5
86.06070	6.1
91.05488	4.4
93.07037	1.4
95.04944	1.3
95.08593	2.0
96.08150	3.4
97.06508	2.4
98.06041	0.9
98.09710	4.8
99.04446	1.0
99.08092	3.2
100.07558	0.5
105.07039	2.7
107.08602	0.7
108.08091	1.8
109.06512	1.1
109.10134	1.4
111.08102	0.7
113.06021	0.6
115.77662	0.5
116.10738	20.6
116.11572	1.0
119.07854	0.5
119.08591	3.1
121.10098	0.6
122.09631	1.7
123.11730	0.9
124.07584	0.6
127.11193	1.6
129.06996	2.0
129.97218	0.5
131.08543	1.0
133.10110	1.8
136.11205	0.8
140.10728	0.8
142.12271	1.2
143.10655	2.2
147.08043	0.8
147.11690	7.4
148.12006	0.6
149.02406	0.5
149.09624	1.1
154.15950	2.5
157.10159	4.3
162.08028	0.5
165.12726	1.0
166.15912	2.2
168.17471	0.8
175.11206	5.1
178.15924	1.4
193.12253	5.0
196.16969	14.4
214.18021	100.0
215.18387	4.2
229.14325	1.8
237.14734	0.5
254.17451	0.9
255.15948	0.9
308.22284	1.1
326.23257	11.4
327.23334	0.7
358.68738	0.5
406.29587	2.1
423.73499	0.7
424.18176	0.9
424.23685	1.7
424.30603	24.7
425.31216	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	424.319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56920	0.4
55.05490	0.4
56.05022	0.5
58.06592	0.9
60.08166	12.2
69.03406	0.5
71.07374	3.2
71.44500	0.4
81.07067	0.7
83.08607	0.4
86.09708	24.8
87.10058	0.5
91.05479	0.6
96.28306	0.5
98.98464	3.5
101.81754	0.4
104.10743	100.0
105.07030	0.5
105.11078	1.7
112.09792	0.5
116.18715	0.4
125.00004	20.9
131.24280	0.4
138.85300	0.4
164.13118	0.5
184.07347	23.9
273.45078	0.5
378.22510	0.5
424.23074	1.0
424.26425	1.2
424.31860	20.6
425.17691	0.8
425.32303	1.9
448.43869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48265	3.3
57.07077	74.8
60.92916	3.2
71.04960	3.3
71.08634	51.1
71.45251	4.0
71.79205	3.6
72.08145	8.2
83.08614	3.4
85.10191	32.0
88.89692	3.2
89.06026	100.0
95.08633	4.5
97.10174	5.5
99.11724	6.5
111.11735	3.5
133.08615	58.6
150.12061	3.2
150.96843	3.4
169.19487	3.8
177.11194	13.7
195.12257	4.4
197.69351	3.4
239.14886	53.1
342.20920	5.4
358.87854	4.3
407.33643	57.2
408.34100	5.4
424.19525	4.2
424.27255	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	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
57.65377	0.5
69.03429	1.2
71.44478	0.5
78.53490	0.5
81.03408	0.9
82.99799	3.3
85.02895	1.1
94.99810	0.6
97.02874	1.8
101.00875	14.6
109.02907	1.4
113.00871	3.6
115.02422	0.7
119.01913	17.8
127.02402	3.2
127.03917	0.7
131.01889	6.7
137.02901	0.8
139.02382	0.8
143.01897	32.7
144.02048	1.7
145.03470	7.6
149.59457	0.6
153.81247	0.6
155.01883	14.5
156.02055	0.6
157.03448	5.4
161.02960	43.4
162.03127	1.6
163.04564	1.0
167.01898	10.0
169.03427	3.6
171.01360	0.6
171.05046	1.9
173.02965	17.7
174.03064	0.9
175.04480	1.2
179.01894	4.9
185.02956	33.2
186.03076	1.6
187.04520	3.3
191.03996	3.7
197.02962	11.9
198.03050	0.6
203.03998	15.5
204.04054	0.8
209.02931	1.7
215.04013	6.8
221.05075	1.2
227.03976	7.3
233.05049	0.7
239.03935	1.2
245.05064	100.0
246.05222	7.5
255.07100	3.0
257.05090	6.1
263.06119	24.7
264.05991	1.0
275.06085	12.5
276.06174	1.1
293.07269	3.7
305.07175	8.3
306.07339	0.7
335.08105	3.1
336.09357	0.6
344.00931	0.6
363.06506	0.7
365.09296	6.8
366.09485	0.6
383.09958	0.7
396.41541	0.7
424.23077	1.0
425.11322	3.6
425.23505	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41044	0.5
59.24826	0.4
82.99809	2.8
88.73900	0.5
97.02903	1.3
101.00886	17.7
109.02880	0.5
112.77840	0.5
112.89609	1.8
113.00851	3.7
115.02404	0.6
119.01932	17.3
120.02059	0.6
127.02412	3.2
131.01898	6.8
137.02960	0.6
139.02428	1.6
143.01901	37.9
144.02039	1.9
145.03464	8.5
149.02965	0.7
153.03932	0.7
155.01897	15.9
155.03188	0.8
157.03476	5.9
159.69896	0.5
161.02963	40.5
162.03148	2.4
163.04526	0.8
167.01906	11.5
169.03467	3.7
171.05048	2.7
173.02963	17.5
174.03076	0.8
175.04524	1.0
177.02415	0.5
179.01880	4.9
179.04117	0.4
184.04506	0.6
185.02960	30.0
186.03139	1.7
187.04495	3.3
188.04573	0.5
191.04007	3.2
197.01109	0.6
197.02946	13.4
198.03043	0.7
199.04672	0.6
203.03992	13.8
204.04160	0.7
209.02922	1.0
215.04031	6.3
216.04210	0.6
221.03181	0.5
221.05089	1.5
227.03999	6.9
228.04073	0.6
233.05128	1.3
239.04024	1.1
244.65552	0.5
245.05075	100.0
246.05231	7.0
257.05042	5.7
258.05176	0.6
263.06134	26.7
264.06317	1.6
275.06140	12.7
276.06390	0.9
286.07571	0.5
287.05872	0.6
293.07275	4.1
299.03641	0.6
305.07199	10.1
306.07178	0.6
335.08197	3.2
346.83295	0.6
365.09329	9.1
366.09784	0.8
425.11160	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	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50068	0.7
66.31993	0.6
69.03452	0.8
70.06578	0.8
82.99869	2.3
97.02896	1.2
101.00879	12.8
109.02916	1.1
113.00869	2.7
117.72387	0.7
118.08581	0.8
119.01916	20.9
120.01992	1.1
127.02397	2.0
131.01913	8.2
137.02939	1.8
139.02411	1.5
143.01898	30.0
144.02055	1.3
145.03465	7.7
145.04523	1.1
155.01898	14.5
157.03438	4.2
161.02960	48.1
162.03055	2.5
163.04524	1.2
167.01884	8.7
169.03482	2.2
171.05049	2.0
173.02962	15.6
174.03087	1.0
179.01923	3.6
179.03923	0.8
185.02951	30.6
186.03096	2.0
187.04507	4.1
191.04034	4.7
197.02960	12.8
199.04590	1.0
203.03989	14.2
204.04205	1.4
209.02956	1.6
215.04025	7.1
221.04913	0.9
227.03996	8.3
233.05168	0.9
235.25009	0.9
239.04031	1.4
245.05066	100.0
246.05276	7.4
257.05069	5.5
263.03448	1.5
263.06125	23.8
264.06458	1.0
275.06113	13.1
276.06381	1.0
288.00696	0.7
293.07123	3.0
305.07153	8.3
306.07385	1.0
317.07114	1.2
335.08005	3.3
365.09351	8.1
383.10489	0.8
424.23199	1.3
425.11588	4.6
425.23407	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	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19155	1.4
54.96550	1.3
57.61867	1.5
59.21891	1.3
66.72562	1.4
73.25069	1.3
81.07060	4.3
98.97624	1.3
100.11292	1.6
104.00800	1.4
105.03402	1.8
105.07050	1.7
137.05989	2.9
179.18471	1.4
222.14938	2.9
245.06271	3.4
287.04114	1.4
289.05414	9.7
339.17712	1.9
381.18872	20.3
425.17737	100.0
425.24854	24.8
426.18054	10.0
426.24298	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01368	4.6
57.84582	4.4
66.05995	5.0
69.35316	10.4
69.35726	14.6
96.01866	5.4
109.03127	4.6
233.84633	5.0
337.15811	6.0
394.19495	8.1
425.22928	100.0
426.18860	25.2
426.23859	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	425.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12662	3.9
67.05502	5.9
69.17842	27.8
75.41705	4.2
75.83652	4.4
79.05451	5.9
81.07063	6.1
93.07007	4.9
95.08621	5.2
97.06554	4.8
105.07032	4.9
107.08614	6.3
131.40987	4.1
147.78722	4.5
152.45654	4.2
157.03798	4.4
197.69923	4.0
261.60275	5.0
264.82266	4.2
312.04538	5.0
380.26852	4.7
425.17819	12.3
425.23013	100.0
426.17319	12.7
426.23642	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	425.2301
Annotation	Adunctin E
Peak:m/z	Relative Intensity
60.05666	5.7
69.46185	22.3
70.31040	5.5
72.74994	6.8
81.07061	6.7
86.06057	12.5
91.05470	9.3
95.04944	5.4
96.16326	5.5
98.23479	9.9
105.07035	5.7
109.10107	6.8
145.74191	6.5
148.62294	5.3
320.48035	5.9
327.23486	17.1
425.23032	100.0
426.17352	17.9
426.23514	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	425.2513
Annotation	Briarellin N
Peak:m/z	Relative Intensity
67.05491	0.8
69.69708	0.6
69.70069	1.6
82.06582	0.7
84.08144	26.2
85.08475	6.3
95.08616	1.7
100.11255	0.7
122.06026	0.5
123.04433	1.3
150.61314	0.4
151.07588	0.7
189.09100	0.7
220.13318	19.5
221.13661	19.8
278.21225	0.5
348.21597	0.6
407.24820	0.9
425.25107	100.0
426.18967	1.0
426.25363	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	425.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.6
57.03429	5.7
57.07083	19.7
67.05501	6.9
69.07064	4.4
71.08630	14.3
71.19823	2.5
81.07042	7.0
83.08621	5.3
85.10169	6.3
89.06013	4.7
95.08602	7.2
97.10159	3.2
109.10176	5.3
113.00018	95.0
113.00811	5.0
139.86075	2.1
151.95766	2.0
165.09152	2.8
169.02617	100.0
222.42383	2.4
239.14832	3.0
295.07904	2.3
313.27411	46.0
425.21796	12.0
425.27979	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
57.07077	0.4
67.05525	0.3
69.19191	2.0
71.08631	0.4
81.07037	0.4
98.22746	0.6
116.43605	0.4
151.07497	0.4
181.02470	0.3
200.98474	0.3
226.52893	0.4
280.56741	0.3
349.76483	0.4
367.07974	0.4
408.33914	0.5
425.32370	100.0
426.32684	7.2
426.37796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62162	0.3
53.23714	0.2
55.34931	0.2
70.64208	0.4
83.30457	0.3
89.06045	0.4
95.08607	0.4
132.50081	0.3
187.19528	0.2
231.08095	0.3
288.41956	0.3
425.32367	100.0
426.32730	7.1
426.38647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03394	0.9
71.05006	3.8
79.05475	0.4
81.07053	0.7
98.22722	1.2
99.04462	4.2
151.07535	4.8
165.09117	0.6
167.82518	0.4
168.08107	0.5
169.06509	0.5
184.07605	0.5
185.08362	0.7
186.09119	0.7
191.10709	1.6
198.09183	1.1
209.08243	0.6
210.09261	0.5
213.07819	0.7
214.08539	0.9
222.09099	1.2
223.09909	0.6
224.10724	1.2
225.05217	0.4
228.10188	0.5
232.11418	0.6
234.09138	0.7
236.07072	0.7
236.10672	0.9
237.11568	0.8
238.08723	0.9
238.12251	1.7
239.09212	0.6
240.06755	0.6
240.10152	0.9
247.09802	0.5
248.10728	0.9
249.11502	0.8
250.08656	1.0
250.12202	1.6
251.09409	1.1
252.10274	1.2
254.08231	0.5
254.11751	0.6
256.75656	0.4
258.07581	0.6
262.08643	0.7
262.12372	0.5
264.10187	2.1
264.13870	0.5
265.10904	0.8
266.08096	0.5
266.11774	3.5
268.09531	0.7
270.11414	0.5
276.10306	0.6
276.13895	0.8
277.10983	1.2
277.14362	0.8
278.08295	0.9
278.11743	1.9
278.14856	0.4
279.08759	0.9
280.09677	2.4
280.13376	1.6
281.14154	0.5
282.11227	1.0
284.12854	0.5
287.03665	1.3
288.04041	0.7
289.05295	1.3
289.18002	0.6
290.11642	0.7
292.09656	2.0
292.13007	0.6
293.10446	1.4
293.13660	0.7
294.07901	0.5
294.11200	6.1
294.14624	0.9
295.11987	0.7
296.12747	0.7
298.10764	1.0
304.13464	1.4
306.07825	1.0
306.11227	1.3
307.11948	0.8
308.12814	4.0
308.16269	0.6
309.13528	3.6
310.10718	2.6
310.14063	0.9
320.09000	1.3
320.12756	1.0
321.13599	1.0
322.14316	4.9
323.15054	2.8
324.12308	1.0
325.12967	1.2
332.12817	0.7
334.10672	1.7
336.15930	2.8
337.16702	1.6
338.13754	1.0
339.14594	0.7
340.11710	0.9
348.12286	1.2
349.13086	4.1
350.13852	3.9
352.11511	0.7
352.15149	0.9
353.12338	1.0
354.16779	0.7
362.13855	0.9
365.12598	0.5
366.13309	1.6
367.14203	4.2
370.16263	0.5
380.14914	4.8
381.15637	3.0
382.11789	0.7
382.16504	8.7
393.12024	3.7
398.15921	2.6
408.14453	5.7
409.14667	0.7
426.15430	100.0
427.15753	7.1
427.31927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05503	0.6
59.04997	0.6
71.05010	3.4
83.01342	2.3
83.04965	1.5
84.08133	1.1
91.05479	0.5
98.71372	0.5
99.04460	6.2
101.06025	6.4
104.99269	1.0
121.06532	0.6
127.03937	5.0
139.03929	0.6
154.06445	0.5
168.08089	1.7
169.08855	1.3
170.09619	2.0
172.07504	0.5
181.08820	0.6
182.09615	1.8
183.06749	1.1
184.07588	0.7
196.11226	1.7
197.08388	1.9
198.09128	5.4
210.09113	1.7
211.06319	0.7
212.06853	0.7
212.10701	0.6
221.08356	0.7
222.09084	1.4
224.10692	2.6
225.11258	1.0
226.08664	5.4
236.10706	0.7
238.08620	5.3
238.12218	0.7
239.09209	0.6
240.06543	3.4
240.10147	0.9
242.08076	0.8
246.12715	0.6
250.08765	1.2
251.09439	1.1
252.10231	2.0
253.10950	2.0
254.08109	0.8
254.11781	2.7
262.08850	0.6
264.10233	1.4
265.11072	0.6
266.11792	0.9
267.08981	0.7
268.09665	0.7
270.11343	1.0
278.11761	1.0
280.13354	1.1
282.11273	4.7
292.09457	0.6
292.13080	0.6
306.11096	0.6
308.12762	0.9
309.10114	0.7
310.10797	2.2
310.14197	0.6
311.11411	0.7
320.12909	1.1
324.12262	14.7
325.12952	2.1
328.11789	2.4
336.12445	0.7
338.10281	5.6
338.13828	0.7
340.11862	2.2
348.12317	0.8
352.11597	0.7
352.15408	2.2
353.12549	10.9
354.13098	0.8
365.13083	0.7
366.13287	1.2
380.14941	18.0
381.15085	1.2
398.16141	1.4
408.14435	1.8
426.15454	100.0
426.25043	4.6
427.15784	6.4
427.26581	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	426.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01869	2.3
55.05522	1.5
57.03436	3.1
61.02932	4.0
61.28688	0.9
67.05504	1.9
68.05022	1.5
69.03432	20.1
70.06590	1.2
71.04995	4.3
73.02929	5.2
77.26884	0.7
79.05502	1.6
80.05013	1.6
81.03417	11.4
81.07083	1.2
83.05008	1.1
85.02908	52.0
85.06548	1.5
86.03256	0.9
87.04472	9.8
91.03965	3.7
91.05531	0.8
93.07072	1.2
95.04974	1.5
95.08592	1.6
96.08137	1.2
97.02899	16.6
97.06548	1.6
98.06097	0.7
99.04469	3.7
100.07606	3.6
101.02406	0.9
105.07053	0.9
107.08593	1.1
108.04471	3.4
109.02885	8.4
109.06533	1.1
111.04260	0.8
111.08087	20.6
112.07609	1.0
113.06042	0.9
115.03940	42.1
115.07600	1.5
116.04228	1.0
121.06454	1.0
122.09657	1.2
123.08113	1.5
124.11218	2.4
126.05558	1.3
127.03920	24.4
127.04875	1.2
131.08592	1.1
133.04971	15.6
133.10170	0.8
134.09673	1.8
136.07608	1.0
136.11237	1.1
137.05975	0.9
137.09663	1.0
138.09128	1.3
139.07562	2.6
140.10732	0.9
142.12314	5.7
143.12651	1.7
145.03827	1.8
145.04968	31.9
146.09607	0.9
148.07596	0.7
148.11269	1.0
150.09180	1.2
151.03940	1.2
151.85803	0.8
152.10728	3.2
153.09142	0.8
156.13829	2.3
160.07675	0.9
163.05977	4.4
166.12347	0.9
168.10284	0.9
182.11835	0.8
183.06544	1.7
187.05994	0.9
196.13374	0.8
198.11195	3.5
208.16919	0.9
216.17517	2.9
230.15443	0.9
236.70963	0.8
244.17033	3.3
252.19446	0.8
259.08109	7.5
262.18039	1.2
267.12131	1.0
277.09137	8.8
277.11786	0.9
303.55276	0.9
310.19714	1.1
328.21219	2.5
334.19989	1.2
372.21658	5.2
380.24484	1.2
390.22665	3.5
405.38535	0.8
408.23776	33.2
409.14160	0.8
409.24048	1.5
425.23462	3.5
426.24792	100.0
426.72269	0.8
427.25082	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	426.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
67.05513	0.9
69.03429	0.9
69.07063	1.1
69.43209	1.2
73.02898	0.4
81.03445	0.4
81.07040	0.5
83.01347	0.5
84.08144	1.0
85.02896	1.9
95.08629	0.6
97.02894	0.8
99.04450	0.6
105.07020	0.8
109.02866	0.5
109.10155	0.8
115.03951	0.8
115.33474	0.4
126.12801	0.4
127.03930	1.6
139.07523	0.4
140.14348	1.3
143.14342	0.6
145.05038	0.4
170.11856	0.4
172.25931	0.3
229.14380	1.2
247.09677	0.4
265.89337	0.4
298.20193	0.7
299.20236	0.4
408.23270	1.8
416.20978	0.5
418.22250	0.6
425.71143	0.7
426.18863	100.0
426.24179	5.0
426.71414	0.6
427.19162	7.6
427.24826	0.5
444.14270	0.7
444.19971	9.3
445.20383	0.5
448.21741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92635	0.6
55.01926	0.7
55.05537	0.7
56.05071	0.8
56.56577	0.6
57.03474	2.2
57.07096	0.7
59.05032	0.6
61.02961	1.3
67.05509	3.8
68.05050	0.7
69.03436	4.5
70.02654	1.5
70.06615	1.0
71.05029	1.0
73.02924	0.6
79.05528	1.6
80.05024	6.6
81.03450	1.2
81.07063	5.9
83.05049	1.8
85.02907	5.6
85.06546	15.2
86.03293	0.8
87.04509	1.0
88.27431	0.5
91.05545	2.4
93.07069	0.8
94.06625	2.4
95.04971	18.6
96.08177	0.8
97.02943	2.0
97.06596	2.2
98.06059	3.5
98.20363	0.6
98.23325	0.8
99.04497	1.0
99.08125	0.7
105.03469	2.0
108.08173	1.0
109.02936	1.1
109.06526	3.2
110.06100	0.6
111.04484	1.0
111.08170	0.8
113.06086	1.3
115.03941	3.5
116.98668	0.7
120.08152	1.6
121.06560	0.8
122.09763	0.8
123.04483	1.1
127.04008	2.4
127.07578	3.0
131.07112	0.8
133.04965	1.2
134.09744	1.0
137.06087	0.8
138.09149	15.9
145.05022	1.9
148.07722	0.7
148.11276	0.9
150.07660	1.7
150.09177	1.0
156.10204	11.8
160.11287	0.7
162.09074	0.6
166.08751	1.6
168.10258	0.9
184.09703	31.8
185.10094	1.0
196.13293	1.1
204.13954	1.8
206.11769	0.7
220.13373	0.9
222.14876	1.3
224.12889	1.4
229.08527	2.6
236.12778	0.8
238.14459	1.1
240.16002	1.2
242.13860	7.7
248.12874	2.2
262.14410	0.7
264.16153	2.7
266.17584	0.8
282.16983	10.2
283.17404	0.7
294.13306	1.0
300.18121	3.6
310.16428	4.9
328.17545	100.0
329.17795	5.8
340.17444	0.6
362.19693	0.7
380.20624	1.2
408.20010	1.9
426.21094	95.0
427.16922	0.7
427.21588	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	426.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36438	0.4
53.03967	0.5
55.01873	0.9
55.05511	1.3
67.05497	1.3
68.05034	0.5
69.03428	2.6
69.07065	1.1
70.05949	1.0
70.06593	1.9
71.01325	0.4
71.05006	2.6
78.45460	0.3
79.05516	1.0
80.05023	2.7
81.03411	0.8
81.07072	1.2
83.04979	0.8
84.08151	1.0
85.00317	0.3
85.02898	2.5
85.06564	0.6
86.06085	1.3
87.04427	1.0
91.05487	1.0
93.07056	1.5
94.06570	1.6
95.04970	4.4
95.08624	1.4
95.81639	0.4
96.08138	1.3
97.02924	1.4
97.06536	2.3
98.06067	0.7
99.04459	2.5
100.07592	0.4
105.07043	1.3
107.08609	1.4
108.08128	0.9
110.09673	1.0
111.08106	1.9
115.03928	2.3
115.07573	0.6
117.07003	0.4
119.08596	0.9
120.08107	1.1
121.10185	0.6
122.09652	1.9
123.04400	0.4
123.08061	0.6
124.11296	1.0
125.05951	0.5
125.09647	0.9
127.03901	2.3
131.08569	0.6
133.04984	0.9
133.10130	0.8
134.09683	1.3
135.08069	0.4
136.07542	0.7
136.11205	3.7
137.05934	0.5
138.09129	2.3
139.07503	0.4
140.10786	0.5
143.08577	0.4
143.19623	0.4
145.05000	1.1
146.09747	0.4
148.07532	0.6
148.11212	1.3
150.07793	1.3
150.09171	1.2
152.10753	1.4
156.10223	1.2
156.13847	1.2
162.12816	0.7
163.06097	0.6
164.10667	0.6
164.14377	1.0
165.09268	0.4
166.12379	0.7
168.10269	0.9
176.14468	0.5
180.13857	0.7
182.11816	0.9
182.15411	0.7
184.09682	2.1
188.14291	0.6
193.12213	0.4
196.17062	1.0
198.11269	0.8
200.12898	0.5
206.15442	0.8
221.17831	0.5
222.14943	0.7
222.18683	0.4
224.16455	3.7
234.14917	0.7
236.16684	0.4
246.18271	0.4
248.20309	0.5
250.14250	0.7
259.08182	0.7
264.19577	2.2
268.15463	0.9
277.09216	1.1
278.17563	1.0
282.20612	4.4
292.19196	0.5
294.20758	1.7
310.20160	6.6
322.16537	0.8
322.20230	2.2
328.17218	0.7
328.21164	13.5
329.21585	0.9
334.20212	1.0
338.23297	4.0
344.22430	0.6
362.23312	1.2
364.21307	1.3
378.22635	2.1
380.20325	0.7
380.24405	5.9
382.22250	4.3
390.18472	0.6
390.23318	1.8
408.24005	11.2
409.24353	0.8
412.14758	0.4
426.24979	100.0
427.20123	0.5
427.25262	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	426.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34599	0.2
55.05518	0.4
56.05035	1.4
67.05503	0.7
69.03423	1.3
69.39488	0.2
70.06596	1.5
71.04996	0.3
72.08145	0.3
77.28625	0.2
79.05488	0.8
80.05036	0.3
81.07050	0.8
82.06566	0.3
84.08147	1.0
85.02921	0.3
85.06513	0.2
86.09695	0.2
87.04446	0.6
90.84755	0.2
91.05460	0.5
93.07049	1.1
94.06585	0.3
95.04968	1.6
95.08609	1.0
96.08164	0.4
97.06504	0.2
99.04455	0.5
105.07018	1.1
107.08630	0.6
108.08125	0.2
109.06532	0.6
109.10165	0.3
109.15849	0.2
110.09681	0.4
111.08063	0.2
113.05991	0.4
115.03934	0.6
117.07042	0.5
119.08575	0.9
120.08114	0.4
121.10163	0.5
122.09680	0.4
123.04440	0.3
123.08100	0.5
127.07607	0.2
129.07011	0.2
131.08582	0.7
133.10118	0.8
134.09608	0.6
135.10455	0.2
136.07579	0.2
136.11255	1.0
137.09596	0.4
138.12744	0.3
143.08577	0.6
145.10086	0.9
147.08067	0.3
147.11699	0.3
148.11212	0.6
149.09636	0.4
151.11218	0.3
152.10684	0.3
154.12292	0.3
157.10181	0.5
159.11734	0.6
161.09554	0.2
162.12729	0.4
163.11168	0.5
163.14900	0.2
166.12309	0.9
169.10123	0.3
171.11691	0.6
173.09648	0.2
173.13280	0.3
174.12737	0.3
175.11250	0.4
176.14299	0.3
177.12749	0.3
189.12805	0.4
190.15916	0.2
199.11232	0.3
202.15913	0.5
204.13889	0.4
206.15427	0.6
212.14432	0.2
224.16469	0.3
246.18637	0.3
252.15968	0.4
254.16289	0.2
258.18567	0.6
270.16907	0.3
276.19574	1.6
286.18066	0.6
292.19211	0.4
294.20728	0.3
304.19089	5.5
316.22668	0.4
318.20740	0.3
322.20126	14.0
323.20462	1.1
344.22229	1.1
362.23260	6.7
363.23544	0.5
372.21820	0.2
380.24313	13.7
381.24628	0.8
390.22714	1.7
408.23782	5.4
409.24390	0.4
426.24854	100.0
426.71945	0.3
427.25195	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	426.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.03442	3.3
57.07079	19.4
62.06091	24.3
67.05496	3.9
69.07063	5.0
69.46597	2.4
71.08632	13.9
77.88229	0.5
79.05540	0.5
79.77126	0.5
81.07062	6.0
83.08613	1.4
85.10178	7.5
89.06021	0.7
95.08608	9.0
97.10171	1.5
98.23402	1.1
98.98470	5.2
104.99302	0.9
109.10141	3.5
111.11697	1.3
123.11729	1.8
133.09999	0.5
137.13266	1.1
137.71011	0.5
142.02606	0.9
155.01018	6.2
173.02104	0.5
175.13261	0.6
198.05234	0.9
211.20612	2.1
216.06285	2.5
252.97951	0.5
254.24777	9.8
262.98062	1.2
285.24240	100.0
286.24609	5.3
344.98193	0.7
365.17184	0.7
365.20941	7.3
408.25070	3.9
426.25989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05510	0.7
57.03175	0.3
58.06591	0.6
59.05000	0.5
65.92422	0.3
67.05505	1.5
69.03421	1.6
69.07060	0.3
70.06590	2.7
71.04998	0.6
78.77237	0.3
79.05487	1.2
80.05016	0.5
81.07051	1.8
82.06582	1.0
82.07342	0.3
84.08134	1.4
85.06551	0.8
91.05487	0.9
93.07044	1.8
94.06590	0.7
95.05096	0.3
95.08605	2.2
96.08143	1.1
97.06522	0.4
99.04469	1.1
105.07040	1.3
107.08603	1.9
108.08142	1.8
108.08804	0.3
109.06532	0.7
109.08918	1.0
109.10183	1.0
110.09695	2.0
111.08073	0.6
112.07656	0.4
117.07043	0.4
119.08605	1.2
120.08141	1.1
121.10139	0.8
122.09669	1.6
123.08044	0.5
123.10472	0.7
124.07623	0.5
124.11254	0.6
125.05996	1.2
125.09625	0.3
126.09194	0.4
131.08604	0.6
133.10147	1.0
134.09666	0.8
135.08032	0.3
135.10515	0.3
135.11694	0.7
136.11197	3.3
138.09174	1.0
138.12834	0.4
139.07513	0.7
139.48820	0.3
142.08630	0.3
145.10062	0.4
147.11755	0.4
148.11198	0.7
150.09117	0.7
150.12791	0.3
152.10663	2.0
153.11458	0.5
159.11742	0.7
159.93855	0.3
162.12805	1.0
163.11176	0.3
164.10788	0.6
164.14406	0.4
164.88159	0.3
166.12274	1.5
167.13052	0.6
173.13266	0.3
178.12288	0.4
180.13885	0.9
182.11787	3.0
184.13367	0.6
188.14371	0.4
196.13289	1.9
198.14897	6.9
199.15071	0.5
214.14401	1.9
222.14911	0.5
229.01720	0.3
229.14381	0.4
236.16534	0.5
248.16434	0.5
250.18050	1.0
264.19620	0.5
266.17404	0.4
276.19678	0.8
278.20975	0.4
294.20642	1.1
302.13345	0.4
302.21042	1.4
318.20764	0.7
320.22183	8.1
321.22598	0.7
362.23145	1.0
376.24829	6.5
390.26285	2.1
394.25775	3.7
408.27441	33.6
409.27728	2.5
426.28458	100.0
427.28806	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	426.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.9
55.74514	1.6
57.03184	1.6
57.03438	22.9
57.07077	53.1
57.52124	1.6
57.93913	1.4
58.06591	2.7
59.05004	3.0
59.24344	1.5
62.06090	4.0
69.07068	8.5
70.29591	1.2
71.08631	54.3
71.46437	1.3
75.04481	73.0
77.58714	1.5
81.07058	2.6
83.08185	1.2
83.08606	7.9
85.10184	31.2
89.06026	14.8
95.08614	2.5
97.10178	8.5
98.98466	47.6
99.11729	4.0
104.99255	2.5
107.39393	1.3
111.11705	3.2
121.06470	1.3
124.01593	6.5
127.14850	3.4
133.08617	6.5
141.16344	1.9
142.02621	13.6
144.10144	1.6
146.73386	1.6
155.01099	1.8
155.18076	1.9
173.02130	12.2
177.11301	2.6
187.60370	1.4
211.24266	2.2
241.25282	2.5
262.98303	2.9
283.17499	2.2
285.27866	10.7
320.61398	1.4
383.25568	100.0
384.25842	6.0
409.31342	4.7
426.24582	6.8
426.29739	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	426.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19633	2.1
52.51734	1.9
54.90599	1.9
55.01868	4.0
55.05514	62.1
55.92246	2.2
57.03434	5.1
57.07081	3.6
67.05509	18.4
69.07075	26.4
69.57764	1.8
71.04999	12.6
73.06550	3.3
74.21739	2.1
79.05505	25.2
81.03425	4.9
81.07068	20.5
83.04986	3.4
83.08620	38.8
91.05506	11.3
93.07047	16.5
95.04997	10.9
95.08607	10.9
97.06536	100.0
98.22675	6.4
99.08085	3.3
105.07016	6.8
107.04976	2.9
107.08591	8.8
109.06521	7.3
109.10175	5.6
115.07565	14.1
117.07012	5.4
119.08569	6.4
121.06519	3.1
121.10131	5.2
123.08022	3.2
129.06995	2.4
131.08588	7.3
133.10136	9.2
135.08070	3.6
135.11723	6.8
143.08542	3.1
145.10143	3.3
147.11699	4.3
149.09656	3.2
149.13252	9.5
151.56131	2.2
153.90913	2.0
159.05624	2.6
159.11736	5.3
170.65509	2.4
177.12679	2.6
195.13799	8.2
207.13409	2.1
217.15915	4.3
238.81548	2.4
269.54031	2.3
273.18527	7.2
291.19543	5.9
302.99130	2.1
305.21301	2.3
353.45755	2.2
378.34039	2.1
426.17404	8.6
426.24475	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	426.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
58.03759	0.8
60.27785	0.8
67.05505	1.3
67.16776	0.8
69.07069	2.2
69.78734	2.8
70.06602	2.0
71.08636	7.0
73.81487	0.8
81.07063	2.9
83.08633	1.6
84.08155	1.4
86.06068	2.7
88.07671	1.1
95.08633	2.2
96.08138	3.2
98.09696	2.3
98.22746	1.5
99.08098	2.7
104.99204	2.0
105.07062	0.9
107.08569	1.3
108.08095	1.4
113.08356	1.3
116.10733	15.2
116.37044	0.9
119.08567	0.9
121.10142	0.9
122.09667	1.3
140.03436	2.4
143.10681	1.7
145.92633	0.9
154.15900	3.9
166.04736	0.9
166.15927	1.7
178.15891	0.8
181.06514	3.7
196.16978	6.5
214.18027	100.0
215.18373	3.0
225.09102	2.0
228.23235	2.8
257.17419	1.7
262.98169	1.4
328.24722	4.5
426.16486	4.3
426.31931	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	427.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43377	1.5
56.96566	16.0
59.99969	1.5
67.05500	6.4
69.07063	4.9
69.21334	7.9
69.21742	3.0
75.86563	1.7
76.79408	1.9
79.05519	2.0
80.22331	1.9
81.07056	10.2
84.96045	7.8
85.06551	2.0
85.09602	1.5
93.07055	4.2
95.08602	9.8
98.97575	44.1
105.06992	3.4
107.08603	3.4
109.10166	4.3
110.97575	12.1
111.58196	1.9
112.99171	3.4
116.98638	14.7
119.08591	3.5
121.10171	2.5
123.08080	4.0
123.11723	4.5
128.98592	9.5
131.00160	2.4
134.99644	2.7
135.08015	3.2
138.48851	1.9
140.00171	3.5
140.98613	4.6
143.00156	5.5
144.98061	2.7
145.10051	1.8
146.99669	3.5
151.07533	42.0
158.98508	1.6
158.99603	9.6
161.01283	2.6
165.09142	2.9
170.99631	6.7
175.11182	3.5
176.69333	2.2
177.00690	9.2
177.09114	7.7
191.10645	17.4
197.08528	7.1
199.11174	1.9
201.00720	2.4
203.10785	2.7
205.12231	5.5
212.85559	1.7
215.09584	2.2
219.01778	26.5
219.13855	2.2
231.13853	2.6
237.02827	30.7
237.07759	1.8
239.09523	5.8
281.10675	2.2
341.12720	100.0
342.13245	5.2
359.13620	12.0
361.66293	1.7
383.13809	28.7
409.31085	2.2
427.13419	24.8
427.26498	15.5
427.32098	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	427.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63593	1.4
55.01873	2.2
56.96568	4.8
63.37527	1.1
67.05482	1.2
69.03434	14.4
69.69228	1.2
70.03766	2.5
70.06612	2.3
71.04980	2.4
74.52077	1.1
79.05508	1.6
81.03414	1.3
81.07063	1.8
85.02908	5.6
85.06539	1.3
86.06100	1.4
87.04464	1.9
91.51981	1.3
93.07059	3.4
96.08128	1.2
97.02905	3.0
97.06520	1.5
98.97581	13.6
99.04483	3.1
100.04790	1.4
100.07630	2.4
105.07005	2.1
107.04959	3.0
109.02857	1.5
110.06873	1.4
110.97549	2.8
111.08094	35.5
112.08418	11.7
115.03951	3.0
116.98642	3.8
122.09710	1.7
123.08132	1.3
124.11258	2.1
127.03937	3.6
128.04231	1.4
128.98595	1.3
131.97876	1.2
133.10164	1.2
134.09673	2.0
135.08133	1.8
136.07611	1.3
136.11200	1.4
138.09175	1.6
139.07530	3.2
140.08081	2.0
141.08582	1.2
142.12173	1.9
145.04929	1.6
147.10066	1.5
150.09187	2.8
151.03906	1.7
156.13930	2.1
158.99634	2.5
162.12953	1.6
182.11824	1.8
183.03253	1.3
183.06609	1.3
189.15131	1.7
190.15569	1.4
192.13898	1.5
217.17818	1.7
219.01823	3.2
223.06425	1.4
237.02843	2.8
239.09438	1.6
244.17026	5.3
245.17386	5.1
256.11487	1.2
262.18073	3.2
263.18478	1.5
265.11172	3.2
269.89194	1.3
283.12241	3.6
299.20551	1.9
301.13232	2.4
307.12241	5.9
325.13376	3.3
326.14056	1.7
334.20361	1.4
335.20462	3.4
355.21487	1.2
367.40457	1.3
372.21799	2.6
373.21930	8.7
383.22528	2.0
391.22882	3.1
408.23880	17.1
409.24130	60.9
410.25031	2.0
426.24890	25.9
427.17236	76.0
427.25159	100.0
428.17279	4.5
428.26630	8.1
445.17755	6.7
446.35623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16022	0.2
62.39064	0.2
69.88837	0.4
70.06592	0.3
70.20421	0.2
75.80658	0.2
77.69644	0.2
79.81168	0.2
82.77264	0.3
91.05468	0.4
91.22874	0.2
93.07037	0.3
95.08602	0.2
98.22800	0.3
121.06471	1.0
135.08098	0.4
144.33209	0.2
151.07513	0.4
163.73883	0.2
167.09003	0.2
234.33278	0.2
327.17773	0.3
353.23148	0.2
427.17288	3.0
427.26651	100.0
428.16971	0.4
428.20496	1.0
428.26941	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	427.267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49003	0.4
70.53676	0.6
70.54007	0.3
96.99298	0.3
145.29839	0.4
168.85432	0.4
171.29221	0.3
183.55263	0.4
187.07501	0.5
333.94104	0.5
366.16644	0.4
367.17960	0.8
384.21408	0.4
410.19168	0.5
427.26672	100.0
428.20459	3.9
428.27011	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	427.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	2.5
55.05513	31.0
56.53014	1.6
57.03440	17.1
57.07080	40.2
60.61438	1.5
67.05499	30.2
69.06710	2.6
69.07069	42.4
69.28159	5.1
69.28571	3.3
70.07391	1.9
71.04993	2.6
71.08629	24.4
74.77225	1.4
75.29525	1.5
79.05489	12.0
81.07059	40.1
83.04990	3.9
83.08621	35.5
84.12820	1.7
85.06540	1.8
85.10194	11.1
87.04483	1.5
91.05472	2.9
93.07051	23.8
95.08608	45.5
97.06542	13.0
97.10171	20.7
98.22708	2.9
98.98460	2.4
99.08080	2.2
101.06039	2.8
104.99249	2.5
107.08593	16.1
109.10162	18.1
111.08093	7.6
111.11734	7.0
115.07584	2.2
117.07965	1.4
121.10151	19.6
123.11676	7.8
125.09628	6.4
133.10114	1.7
135.11690	16.3
135.48143	1.5
137.09773	1.4
137.13263	4.1
139.11197	5.9
143.10712	1.7
149.13266	8.0
153.12796	2.9
155.01039	2.3
157.12273	2.0
163.14838	3.6
167.14333	2.1
171.13795	1.8
175.90050	1.3
177.16422	3.4
185.15346	3.2
195.17525	1.8
205.19499	1.7
209.19153	2.7
242.57808	1.4
247.51016	1.5
250.39046	1.4
289.28961	3.6
291.23138	2.6
307.29962	7.4
313.27533	1.8
317.28497	4.7
335.29410	12.2
354.77670	1.8
371.31546	30.3
409.33237	10.7
427.34195	100.0
428.34439	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	427.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01877	1.7
55.05512	25.3
56.05836	0.2
57.03145	0.3
57.03438	14.3
57.07077	33.7
58.07401	0.5
59.04994	1.1
65.03951	0.9
67.05505	28.6
68.05853	0.4
69.03426	0.9
69.07066	41.0
69.48454	0.9
70.07404	0.6
70.93790	0.2
71.04995	2.3
71.08630	22.7
72.08959	0.3
73.06554	1.9
79.05492	10.4
80.05843	0.3
81.07055	41.3
82.07387	1.1
83.04977	2.9
83.08620	30.4
84.08944	0.4
85.06538	2.0
85.10181	11.7
86.10513	0.3
87.04474	0.3
87.08139	0.4
91.05480	2.6
93.07047	16.2
94.07401	0.3
95.04976	1.0
95.08604	39.3
96.08937	0.8
97.06532	10.3
97.10168	22.2
98.10502	0.5
99.08094	1.3
99.11737	0.8
101.06016	1.4
101.09669	0.3
105.04491	0.3
105.07029	1.4
107.08591	13.6
108.08920	0.3
109.06590	0.3
109.10157	19.3
110.10500	0.5
111.08081	6.4
111.11715	7.0
113.09663	0.6
113.13306	0.4
115.07575	2.1
115.11224	0.3
119.08595	1.0
121.10146	17.9
122.09627	0.3
122.10472	0.5
123.08113	0.3
123.11703	9.3
124.12009	0.4
125.09630	6.1
125.13266	1.9
127.11150	0.3
127.14836	0.4
129.09128	1.9
129.12791	0.3
131.08609	0.6
133.10069	1.2
135.11693	14.9
136.12004	0.3
137.09587	0.3
137.13252	3.3
139.11185	6.5
139.14803	0.5
140.11523	0.2
141.16406	0.3
143.10677	1.8
145.10112	0.3
147.11731	0.8
149.13249	9.1
150.13625	0.6
151.11208	0.3
151.14842	2.0
153.12746	4.1
153.16383	0.4
157.12230	1.8
161.13297	0.6
163.14815	5.1
165.12813	0.4
165.16420	0.8
167.14304	3.2
171.13809	1.8
175.14864	0.3
177.16385	3.5
179.14343	0.3
179.18005	0.4
181.15852	2.4
185.15294	1.1
189.16335	0.5
191.17946	2.6
193.15840	0.3
193.19489	0.5
195.17430	2.3
199.16940	1.5
203.17932	0.8
205.02968	0.2
205.19473	1.8
207.21098	0.4
209.19009	2.0
213.18520	0.9
217.19545	0.4
219.21046	1.5
221.18987	0.6
223.20560	1.1
227.20094	1.0
233.22717	0.9
235.20564	1.1
237.22096	1.2
240.23265	0.4
241.21600	0.7
247.24176	0.4
249.22171	0.3
251.23784	1.0
255.23148	0.5
257.47150	0.2
258.06613	0.3
262.98273	0.4
265.21524	0.3
265.25308	0.4
269.24820	0.4
289.28918	4.4
290.29010	0.4
299.27423	1.1
307.29941	8.0
308.30338	0.7
317.28369	5.9
325.31003	0.4
335.29416	16.0
336.29834	1.0
352.34348	0.2
353.26874	0.2
353.30298	1.3
371.31552	34.1
372.31894	2.7
409.33118	13.7
410.33545	1.7
427.34177	100.0
428.34528	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01893	1.6
55.05511	22.7
57.03440	14.9
57.03728	0.7
57.07077	29.1
58.07410	0.5
59.04982	0.7
61.02904	0.4
65.03938	0.5
67.05505	20.8
68.05842	0.4
68.99789	1.6
69.03430	0.8
69.07068	36.4
69.16563	1.9
71.01321	0.6
71.04993	2.1
71.08631	18.2
73.06557	1.2
75.04455	0.4
75.92761	0.3
77.03928	0.3
79.05493	8.3
81.07056	31.0
82.07391	0.6
83.04986	3.0
83.08620	25.8
85.06553	1.5
85.09690	0.6
85.10181	9.3
85.29350	0.3
87.04480	0.7
87.08118	0.4
91.05479	2.2
93.07043	13.6
95.04980	0.8
95.08606	29.7
96.08937	0.6
97.06535	8.7
97.10168	17.9
98.23454	0.6
99.08090	1.1
99.11722	0.8
101.06010	1.2
104.99281	0.7
105.07030	1.2
107.08591	11.0
109.06521	0.5
109.10158	14.0
111.04447	0.8
111.08070	5.8
111.11721	5.8
113.06024	0.4
115.07558	1.3
117.05496	10.2
119.08577	1.0
121.10148	15.1
121.79425	0.4
123.08047	0.4
123.11711	7.2
123.12531	0.6
125.06001	1.3
125.09632	4.0
125.13275	1.4
129.09132	1.4
131.08559	0.7
133.10121	1.0
135.11693	11.8
137.13246	3.3
139.07561	0.6
139.11182	4.8
139.14862	0.4
143.10683	1.0
147.11751	0.4
149.13255	6.4
151.14824	1.2
153.09122	0.6
153.12747	3.4
153.16383	0.5
157.12253	1.0
159.11594	0.4
161.13205	0.4
163.14813	3.7
165.16350	0.5
167.14311	2.9
171.13792	0.8
175.14859	0.4
177.16379	2.9
181.15892	1.8
185.15399	1.1
191.17924	2.0
195.17482	1.8
199.16933	1.1
203.17917	0.7
205.19514	1.6
207.21065	0.4
209.19016	1.6
213.18503	0.9
217.19388	0.4
219.21126	1.2
221.18939	0.6
223.20624	1.1
227.20114	0.5
235.20534	0.6
237.22189	0.9
251.23811	0.6
255.23257	0.5
265.25024	0.5
275.27405	0.9
289.28870	2.8
293.28287	1.9
299.27325	1.0
307.29980	5.1
308.30316	0.4
317.17865	0.8
317.28378	4.0
335.29425	12.8
336.29800	0.8
353.30441	1.9
371.31549	24.9
372.31924	2.0
409.33109	14.3
410.33551	1.1
427.34171	100.0
428.26004	0.5
428.34576	8.3
450.88748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53079	1.4
55.05508	9.6
57.07076	5.7
62.45636	1.4
67.05508	5.1
69.07063	30.1
69.14906	10.2
71.08636	4.9
78.84389	1.6
81.07063	8.8
83.08626	9.8
91.05490	1.7
93.07063	3.8
95.08611	6.4
97.10183	5.0
101.64642	1.7
105.07037	2.8
107.08589	4.0
109.10140	8.5
111.11736	3.4
119.08570	2.9
121.10200	3.0
123.11714	2.1
135.08029	3.0
135.11717	2.7
137.09622	10.5
139.07533	1.9
145.10202	1.8
149.09605	8.3
151.07599	2.2
159.11751	2.6
163.11185	6.4
165.09113	100.0
166.09448	2.5
167.07089	4.2
172.72888	1.9
175.07611	1.9
175.11241	2.1
177.09140	7.9
179.10651	2.3
189.09120	2.8
191.10701	5.1
199.11227	2.0
203.10641	7.8
205.12251	9.9
209.86351	1.8
219.13791	2.0
248.93761	1.8
294.42035	1.6
298.38614	1.7
382.88055	1.9
427.16785	2.3
427.36011	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	428.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17048	0.9
56.34212	1.1
57.03433	1.4
60.56892	1.1
61.02924	1.4
69.03424	6.7
69.22514	0.9
69.57002	4.4
71.05001	1.5
73.02933	2.4
81.03415	5.4
85.02902	21.6
87.04463	5.9
91.03990	1.5
97.02900	7.5
99.04471	4.6
109.02891	2.3
115.03935	21.2
117.05515	4.3
127.03909	10.6
133.04985	9.1
134.62163	1.1
145.04973	17.9
152.07365	0.9
163.06047	2.6
194.97528	1.1
208.13542	1.1
241.06929	1.1
248.05211	1.2
259.08160	4.6
277.09222	7.9
354.19205	3.5
358.05582	1.2
386.04840	2.3
387.06247	2.0
404.05780	1.7
410.15808	13.2
411.16180	1.5
428.16916	100.0
428.22827	16.7
429.17432	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	428.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07533	0.3
69.03423	1.2
69.79895	0.7
71.04993	3.5
72.84963	0.3
77.03924	0.4
79.05478	0.7
83.01337	1.2
83.05025	0.6
91.05488	1.1
95.04973	1.4
99.04453	4.0
105.03352	0.4
109.06503	3.1
120.49072	0.3
123.73664	0.3
128.06125	0.3
132.08125	0.4
133.52246	0.4
136.07625	0.5
137.05972	1.8
142.70349	0.3
148.07553	1.0
150.96451	0.4
155.03398	1.3
160.07549	1.0
162.09152	0.8
164.07068	1.0
165.05475	9.0
172.07574	0.7
172.11128	0.4
173.08354	0.8
174.09161	1.6
175.09895	0.5
175.76044	0.5
176.07053	0.5
176.10724	0.6
182.09543	0.4
184.07559	0.7
184.11234	0.6
185.08350	0.5
186.09143	1.1
187.09912	0.5
188.10614	0.6
190.08601	1.5
191.09308	1.7
196.07414	0.4
198.09055	1.7
199.09956	1.1
200.10706	3.6
201.11404	0.9
202.08603	0.7
203.12880	0.4
210.09056	0.8
212.10712	2.8
213.07861	0.5
213.11426	2.5
214.08614	0.6
214.12271	1.4
215.09399	1.4
216.10199	0.5
218.11742	0.5
223.13734	0.4
224.10690	1.7
225.11433	0.9
226.08728	0.7
226.12241	2.1
227.09236	0.4
227.12888	0.9
228.10187	2.3
228.13785	3.7
234.11253	0.9
235.09894	0.5
236.10751	1.2
237.11328	0.5
238.12364	0.9
240.10220	0.9
240.13858	1.0
241.14377	0.5
242.11682	0.8
246.11247	1.4
248.10680	0.4
249.11507	0.4
250.12259	1.5
252.10234	1.4
252.13881	1.2
253.10945	0.9
253.14529	0.5
254.11731	2.1
255.12564	0.4
256.09717	0.5
256.13297	1.9
257.14099	0.8
258.11267	6.5
258.13986	0.7
262.10464	2.0
264.09961	0.6
264.12378	1.3
266.11829	1.1
267.12622	0.5
268.09732	0.9
268.13300	1.6
269.10596	0.6
269.17728	0.5
270.11404	0.9
272.12802	12.4
273.13367	1.1
274.14401	0.9
278.11740	3.3
278.15387	1.1
279.12466	2.6
280.09833	0.5
280.13126	0.6
282.11230	1.6
282.14484	0.4
283.12061	0.5
284.12814	2.6
285.13568	0.8
286.14346	1.3
288.12344	0.7
292.13248	0.6
293.10437	0.4
294.11240	1.2
294.14835	0.4
295.12024	1.3
296.12814	2.9
296.16187	0.7
297.13486	0.6
298.10745	0.5
298.14331	1.1
300.12338	1.7
301.13022	1.6
306.14908	1.3
308.09424	0.5
308.12827	1.2
308.16129	0.7
309.13437	0.8
310.14346	2.0
311.15048	1.8
312.12360	2.2
312.15442	0.5
313.12903	0.6
314.13651	0.8
322.10602	1.0
322.14471	1.6
323.11310	0.7
323.15042	0.9
324.12296	0.8
324.15970	3.2
326.13849	1.4
327.14267	0.6
328.15430	1.0
330.13052	0.7
334.14297	0.6
336.12219	1.1
337.13077	1.0
338.13647	0.9
338.17505	0.6
340.11777	0.8
340.15442	0.9
350.13922	1.5
351.14560	0.7
352.11734	0.6
352.15396	3.0
354.13275	0.6
355.14185	1.2
368.14896	1.2
369.15497	0.5
382.16513	3.3
384.18039	17.7
385.18286	0.6
396.14380	2.6
400.17624	1.3
410.15930	3.8
427.26837	0.8
428.17017	100.0
428.26697	3.1
429.17410	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	428.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00964	0.6
55.05510	1.0
57.43137	0.7
67.05532	1.0
69.03448	1.3
71.04630	1.2
71.04996	15.0
79.05506	0.9
81.07043	0.9
83.01340	7.3
93.07071	1.5
95.08621	0.7
99.04461	16.8
105.07040	0.8
106.01125	0.7
110.58990	0.6
111.08115	1.0
122.09683	1.0
123.08078	1.6
127.01274	1.6
128.10748	0.9
131.08490	0.7
140.10730	2.7
141.09097	0.8
144.08087	1.0
149.02344	1.8
156.08109	2.0
168.08118	1.2
170.09657	1.0
181.08809	0.8
182.09692	1.6
184.11273	0.7
186.09082	1.0
193.05043	2.2
194.09814	0.9
195.10503	1.3
196.11249	2.2
198.09154	1.8
198.12900	0.7
199.09920	0.9
202.08643	0.8
206.09686	1.5
208.11232	1.6
210.09181	1.8
210.12912	1.1
211.09886	0.7
220.11249	1.7
221.11963	1.2
222.09114	0.8
222.12907	2.0
223.09967	1.9
224.10721	6.5
224.14227	1.2
225.11491	1.9
226.08733	1.0
226.12303	2.6
227.09358	0.8
228.10248	1.2
234.09204	1.2
234.12834	1.3
235.09862	0.9
236.10754	2.7
236.14397	1.6
237.11404	1.2
238.08516	0.7
238.12196	3.5
239.09535	0.8
239.12926	1.2
240.10275	2.0
240.13823	1.4
241.10965	2.1
248.10771	1.2
248.14349	1.0
249.11478	1.2
250.12206	3.2
250.16025	1.0
251.09677	0.8
251.13029	1.5
252.10255	4.3
252.13847	3.6
253.11024	1.7
254.11732	2.2
256.13354	5.1
262.12244	1.5
263.12845	0.7
264.11191	1.0
264.13843	7.2
265.14612	0.8
266.11798	5.7
266.15311	1.4
267.12567	1.9
267.16183	2.4
268.13416	2.1
269.10464	1.5
270.11124	0.9
276.10352	1.2
276.13824	1.7
277.14444	1.5
278.11972	1.8
278.15448	4.4
279.09460	0.8
279.13000	1.3
279.16086	8.1
280.09842	1.3
280.13318	2.8
280.16516	0.8
281.14264	1.7
282.14832	1.2
284.12790	8.0
292.09647	0.7
292.13284	0.9
293.14139	1.1
294.11264	4.4
294.14886	2.3
295.12225	1.0
295.15552	1.1
296.12863	2.5
296.16129	0.8
304.13367	1.9
306.11484	1.2
306.15005	2.1
307.15375	0.8
308.12787	4.9
308.16104	1.4
309.13623	3.1
310.14349	1.3
311.15289	3.1
312.12341	10.6
312.15887	1.2
314.13992	1.5
321.13571	1.4
322.14249	6.1
323.15134	10.2
324.12314	2.7
324.15967	4.3
326.13934	0.8
332.12750	1.0
333.13852	0.8
336.15945	4.9
337.13168	2.8
338.17435	1.1
339.14694	1.6
340.15472	0.9
341.06927	1.0
349.13004	1.2
350.13934	1.9
352.15390	6.1
354.17038	6.2
364.15344	9.3
366.17029	2.7
367.14081	3.9
378.13388	0.9
382.16489	94.0
383.16794	5.7
392.14981	4.0
410.15979	100.0
411.16382	7.9
427.72971	0.7
428.16998	25.1
429.11807	3.5
429.17282	1.3
430.41214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.8
55.31454	0.6
56.52523	0.7
68.25564	0.6
69.03386	1.2
71.04996	13.8
80.04934	0.7
81.07021	0.7
83.01344	5.3
84.73485	0.6
93.07013	0.7
95.08542	0.8
99.04459	17.3
99.05375	0.7
116.50428	0.7
123.08128	0.7
127.03838	1.0
130.06444	1.0
151.07423	2.4
156.08038	1.2
157.08923	1.1
172.11099	0.8
182.09608	1.4
184.07567	1.2
186.09155	0.9
191.10539	0.7
194.09625	0.9
195.10239	1.0
196.07480	0.7
196.11093	2.6
198.09097	1.0
199.09801	1.7
202.08423	0.9
207.10378	1.2
208.11165	2.2
209.08313	1.1
210.09140	1.7
210.12775	1.7
211.09839	0.8
212.10666	1.3
213.11270	0.9
220.11232	1.0
222.12761	0.9
223.09851	1.7
224.10786	5.9
224.14131	1.2
225.11372	2.1
226.12309	0.9
234.12784	1.2
235.09843	0.9
236.10652	2.5
236.14189	1.0
237.07896	0.8
238.12253	3.8
239.13171	1.0
240.10104	1.9
240.13771	0.9
241.10909	1.6
249.11331	1.4
250.12283	2.3
250.16185	0.8
251.12958	1.6
251.16623	0.8
252.10225	3.6
252.13866	2.9
253.10895	1.9
254.11624	2.4
255.12413	1.0
256.13287	6.1
262.12247	1.4
264.10019	0.9
264.13855	8.2
265.14459	1.1
266.11752	4.3
266.15396	1.3
267.12479	1.3
267.16141	2.8
268.13165	1.9
269.10327	1.2
272.12799	1.5
276.13876	1.4
277.14655	1.1
278.11795	1.5
278.15347	2.7
279.16122	6.6
280.09753	1.3
280.13293	2.7
281.14282	1.1
282.11371	1.3
282.14792	1.0
284.12756	7.8
290.11795	0.8
292.13150	1.3
293.13861	1.0
294.11221	3.0
294.14825	2.0
295.15305	0.9
296.12790	1.2
300.12247	1.5
304.13324	1.7
305.13763	0.8
306.14944	0.9
307.15533	0.9
308.12909	4.9
308.16019	1.1
309.13574	2.4
310.14139	0.9
311.15088	2.4
312.12341	12.9
312.15732	1.0
313.12421	1.2
314.13779	2.4
321.13568	0.8
322.14243	6.0
323.15204	8.6
324.12305	1.9
324.15875	3.7
326.17328	1.1
334.13998	0.8
336.15955	2.9
337.13043	2.6
338.13657	0.9
338.17545	1.2
339.14682	2.0
349.13019	0.9
350.13882	1.9
352.15433	6.5
354.17007	5.7
364.15381	8.3
366.17096	3.6
367.14154	3.5
382.16489	95.5
383.16946	5.3
392.14954	2.0
410.15991	100.0
411.16385	7.1
428.17020	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	428.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01864	4.7
57.03450	6.5
61.02927	9.0
69.03066	1.8
69.03430	30.7
70.95232	1.5
71.01352	3.0
71.04992	6.9
73.02914	9.3
78.83936	1.1
81.03417	18.2
85.02908	100.0
87.04470	21.6
91.03963	8.1
97.02892	34.3
99.04453	17.5
101.02364	1.6
103.04018	2.5
109.02879	14.3
112.20924	1.1
115.03934	83.9
116.04278	1.2
117.05499	12.4
127.03920	50.5
133.03955	1.7
133.04970	43.8
145.04962	73.4
153.05759	2.3
157.04968	1.5
163.06027	12.4
175.05994	1.5
207.06549	3.5
217.07133	1.4
225.07605	2.8
241.07103	3.4
243.08760	2.7
259.08130	19.3
261.09802	2.3
277.09201	42.3
278.09488	2.7
316.00974	1.2
357.11719	2.4
375.12979	1.5
400.22714	1.3
428.22299	2.2
429.21301	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01874	4.2
57.03439	6.9
61.02932	10.2
69.03433	28.9
70.95258	2.0
71.01351	3.1
71.04994	6.5
73.02922	12.4
75.81955	1.2
81.03423	22.5
85.02910	100.0
86.03255	1.4
87.04472	23.4
91.03978	7.7
97.02894	33.6
99.04465	22.4
101.06065	1.5
103.03937	4.2
103.04651	1.5
109.02882	15.0
115.03935	92.1
116.04301	2.1
117.05504	16.4
123.04480	1.7
127.03917	51.4
133.04973	42.8
145.04970	75.9
153.05779	2.1
157.05013	2.0
163.06018	11.9
170.77087	1.3
175.06027	1.8
187.06111	1.6
207.06531	1.5
217.07335	1.5
225.07628	4.0
241.07089	4.6
243.08557	3.4
259.08139	19.4
261.09406	2.0
277.09174	40.9
330.19153	1.3
335.84839	1.4
357.11801	1.6
375.12912	2.6
428.12277	2.3
428.22064	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	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
57.03432	3.1
60.77748	1.2
61.02909	3.1
61.65476	1.2
69.03419	3.6
69.09307	5.5
69.09712	2.2
70.06577	1.2
72.79752	1.1
79.05511	1.2
81.03412	1.8
85.02911	11.2
87.04433	2.0
91.03899	1.5
91.05482	47.0
92.05840	1.5
95.04934	1.5
96.24153	1.1
97.02895	3.2
99.04353	1.4
105.03354	2.7
105.07035	8.7
109.02872	2.2
117.07019	4.7
127.03906	1.6
128.06221	3.5
129.07019	13.2
131.08554	5.0
141.07005	8.2
142.07814	1.4
143.08563	19.0
144.08904	1.4
145.05016	2.8
145.06464	2.8
145.10132	15.8
153.06978	3.1
155.04906	2.6
157.06488	18.9
157.10077	3.3
165.07005	1.1
166.07707	1.3
167.08553	16.3
169.06473	6.5
169.10130	4.6
171.08037	19.2
172.08388	1.3
175.07552	2.1
183.35498	1.1
185.09619	43.4
186.10013	2.1
187.07539	7.8
187.11127	5.3
189.09096	19.4
195.08128	1.2
203.10684	5.1
213.09106	32.6
214.09389	1.7
231.10172	100.0
232.10486	3.4
249.11259	4.5
286.14420	1.4
287.79730	1.2
334.30383	1.1
353.24841	1.2
390.17572	1.1
428.17609	6.3
428.23425	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	428.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
56.05032	0.9
57.03441	0.8
58.06595	0.7
59.04996	1.0
60.08165	14.8
67.05491	1.0
69.03438	1.9
69.07069	0.5
69.35175	2.3
70.06588	0.8
71.07378	5.0
73.02895	0.5
79.05453	0.9
81.03414	1.1
81.07053	1.0
83.05013	0.5
83.08635	2.4
85.02896	3.3
86.09709	43.5
87.04450	0.7
87.10025	0.8
87.76418	0.4
95.04955	0.5
97.02901	1.5
97.10174	3.8
98.98478	3.3
99.04426	0.4
104.10746	89.8
105.07031	0.6
105.11064	1.4
107.08592	1.3
109.02897	0.8
115.03945	4.9
115.04745	0.7
125.00006	24.8
125.09636	3.9
127.03948	2.4
133.04968	1.4
135.04420	0.7
135.10158	0.4
145.04996	1.7
152.07065	0.8
153.05496	0.7
163.01578	0.5
182.11708	0.5
184.07349	100.0
185.07678	1.7
189.11237	1.5
245.13863	1.7
258.10999	0.8
259.08139	0.8
272.12863	0.5
277.09256	1.5
351.12341	0.4
382.25858	0.7
392.24640	0.5
410.19458	6.7
410.24677	0.7
411.19745	0.8
419.22675	0.5
427.72980	1.1
428.20453	34.9
428.26068	4.0
429.20782	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	428.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
54.59940	0.5
55.01869	2.1
57.03436	4.2
61.02925	8.1
65.24426	0.5
67.89091	0.5
69.03430	15.8
69.07068	22.2
69.46666	1.6
69.47060	1.0
71.04990	2.2
73.02911	3.9
80.03359	0.5
81.03413	5.8
81.07069	1.2
85.02905	100.0
86.03229	1.0
87.04470	4.0
87.08120	1.0
89.13433	0.6
91.03971	5.5
93.07043	0.8
95.08580	0.7
97.02893	20.9
98.73271	0.6
99.04446	4.4
103.03913	0.9
105.07078	0.7
107.08612	0.5
109.02879	8.6
111.08086	2.0
115.03928	8.1
117.05456	0.7
123.08113	0.9
127.03915	28.2
133.04976	2.1
139.07565	0.7
145.04958	65.8
146.05351	1.4
150.67479	0.5
152.07152	0.6
153.05821	1.0
153.09088	1.0
163.06017	41.8
164.06436	0.9
179.68176	0.5
195.10115	1.2
213.11201	1.9
231.12177	2.9
259.08096	0.9
266.14731	0.7
271.08350	0.7
277.09213	2.9
289.09146	1.3
325.11249	6.1
410.25760	0.9
420.40945	0.6
428.16602	1.4
428.26852	5.6
429.21362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
54.59940	0.5
55.01869	2.1
57.03436	4.2
61.02925	8.1
65.24426	0.5
67.89091	0.5
69.03430	15.8
69.07068	22.2
69.46666	1.6
69.47060	1.0
71.04990	2.2
73.02911	3.9
80.03359	0.5
81.03413	5.8
81.07069	1.2
85.02905	100.0
86.03229	1.0
87.04470	4.0
87.08120	1.0
89.13433	0.6
91.03971	5.5
93.07043	0.8
95.08580	0.7
97.02893	20.9
98.73271	0.6
99.04446	4.4
103.03913	0.9
105.07078	0.7
107.08612	0.5
109.02879	8.6
111.08086	2.0
115.03928	8.1
117.05456	0.7
123.08113	0.9
127.03915	28.2
133.04976	2.1
139.07565	0.7
145.04958	65.8
146.05351	1.4
150.67479	0.5
152.07152	0.6
153.05821	1.0
153.09088	1.0
163.06017	41.8
164.06436	0.9
179.68176	0.5
195.10115	1.2
213.11201	1.9
231.12177	2.9
259.08096	0.9
266.14731	0.7
271.08350	0.7
277.09213	2.9
289.09146	1.3
325.11249	6.1
410.25760	0.9
420.40945	0.6
428.16602	1.4
428.26852	5.6
429.21362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42666	0.4
67.24303	0.4
69.03403	0.8
69.18874	1.0
69.19281	1.9
70.06603	0.7
82.06571	0.5
86.06096	0.5
89.78885	0.4
93.59068	0.4
95.08604	0.6
98.22565	0.7
104.34406	0.4
121.06500	0.4
134.09698	0.5
136.11186	0.5
148.11180	0.5
150.12781	0.5
151.07513	3.3
152.07896	0.8
162.12784	0.5
163.07521	0.6
163.13490	0.5
164.14374	1.1
170.15405	1.0
191.10663	1.2
192.10924	0.5
192.17435	0.4
195.87729	0.4
196.13333	0.7
198.14874	0.7
207.02293	0.5
250.51109	0.4
262.18005	3.5
284.91769	0.4
300.19559	2.4
323.19449	0.6
339.05887	0.5
352.22400	0.6
368.21994	0.7
378.20395	7.1
379.20370	0.5
396.21442	100.0
397.21790	5.9
399.56564	0.5
410.25320	0.5
410.30310	0.7
411.04236	0.5
428.16879	0.6
428.20517	0.7
428.26053	1.1
428.31644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85067	0.3
52.15688	0.3
53.03940	0.6
55.01865	1.0
55.05509	1.1
57.03426	2.1
58.06604	0.4
58.20063	0.3
59.05020	0.3
61.02927	1.6
67.05499	1.3
68.05013	0.3
69.03429	17.9
69.07072	1.3
70.03777	0.3
70.06594	4.9
71.04992	5.3
71.54687	0.3
73.02911	2.0
79.05497	1.5
80.05026	0.7
81.03412	2.3
81.07050	2.2
82.06604	0.5
83.04993	1.4
83.08643	0.4
84.08143	1.1
85.02905	14.2
85.06534	1.4
86.06084	0.4
87.04474	4.2
91.03981	0.8
91.05497	1.0
93.07036	1.9
94.06579	0.7
95.04980	0.9
95.08607	2.4
96.08138	0.7
97.02892	5.4
97.06521	0.9
99.04462	3.8
99.08106	0.5
101.06006	0.3
103.03948	0.5
105.07051	1.2
107.08605	1.1
109.02859	2.4
109.06528	1.4
109.10185	1.2
110.09681	0.4
111.08084	17.4
112.08445	0.5
113.05974	0.4
115.03120	0.7
115.03928	13.2
116.04284	0.6
117.05489	0.8
117.06989	0.5
117.09129	2.7
119.03403	0.4
119.08574	0.9
120.08112	0.6
121.06531	0.8
121.10127	0.5
122.09692	1.2
123.08083	2.4
124.07601	0.5
124.11259	0.6
125.05984	0.8
125.09637	2.1
127.03915	6.9
131.08653	0.4
132.74873	0.3
133.04976	5.1
133.10129	0.5
134.09666	1.0
135.08067	0.8
136.07573	0.4
136.11263	1.0
137.09624	0.9
139.07535	11.1
141.09145	0.4
145.04953	8.2
145.06087	0.6
145.10081	0.3
146.09648	0.4
147.11711	0.3
148.11217	0.6
149.05917	0.3
149.09610	1.0
150.09175	1.2
152.10681	1.4
153.09129	1.3
154.12320	0.5
157.10115	0.3
159.11780	0.4
162.12727	0.4
163.06039	2.0
165.09158	0.7
167.10703	0.8
168.10194	0.7
177.12784	0.9
180.13765	0.7
182.11758	2.8
184.13309	1.9
193.12257	0.3
195.13799	5.9
200.12764	1.4
205.12296	1.4
208.82816	0.3
209.11794	0.3
210.14763	0.5
213.11095	0.4
223.13316	1.4
236.16451	0.6
241.14400	0.9
248.16621	0.4
250.18109	0.4
259.08099	1.7
263.51526	0.3
266.13885	0.9
277.09186	4.1
278.09644	0.4
294.20731	0.5
310.20172	0.6
330.14465	0.4
336.21780	1.2
352.21133	0.4
366.22824	1.5
378.23032	0.3
384.23688	1.4
392.24271	2.4
396.23810	2.1
410.25412	16.3
411.25668	1.1
428.26462	100.0
429.13638	0.6
429.20996	2.1
429.26843	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	428.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05516	0.5
58.06610	0.6
67.05496	1.3
69.03430	7.4
69.84774	0.6
69.85098	1.1
70.06589	3.4
71.04996	1.5
74.85004	0.5
79.05488	1.1
80.05019	1.3
81.07071	1.8
82.06621	0.7
83.04996	0.8
84.08153	2.9
85.06541	1.5
86.06081	0.7
87.04489	0.6
87.59119	0.4
91.05495	0.8
93.07024	1.1
94.06564	1.2
95.08609	3.4
96.08145	1.5
97.06528	1.7
99.04449	1.8
105.07032	1.7
108.08099	1.1
109.10161	0.9
110.09690	0.8
111.08081	11.2
112.97329	0.5
119.08543	0.9
121.10144	0.8
122.09673	1.8
123.08110	1.1
124.07671	0.6
124.11218	0.6
125.05975	2.5
125.09643	1.2
131.08614	0.7
133.10118	1.5
134.09642	2.5
137.09589	0.8
139.07533	1.6
146.09599	0.5
148.11195	1.1
150.09177	2.1
152.10715	3.2
154.12244	0.9
160.11255	0.7
162.12743	0.6
164.10732	0.7
165.09140	0.6
165.79440	0.5
168.10202	1.1
170.11763	0.7
176.10695	0.5
182.11795	6.3
184.13368	0.8
195.13808	0.7
198.11201	0.7
200.12833	6.8
222.14821	0.5
223.13370	1.4
234.14943	0.5
252.16039	0.8
255.16116	0.5
262.18054	0.9
280.19009	1.5
296.18945	0.7
318.20648	0.6
329.79370	0.5
336.21625	1.8
336.34213	0.6
352.20682	0.5
366.22549	1.0
384.23743	1.6
392.24387	4.2
410.25320	22.0
411.25635	1.9
428.26416	100.0
429.26675	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	428.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01870	1.7
55.05510	1.3
56.05033	0.5
57.03434	0.5
58.06610	0.5
61.02929	0.4
67.05511	1.9
68.05038	0.6
69.03433	9.0
69.07075	2.3
69.29842	1.5
70.06591	4.1
70.96674	0.4
71.04993	1.9
72.08181	0.5
73.02945	0.3
79.05509	1.9
80.05029	1.8
81.03426	1.0
81.07072	2.3
82.06596	0.7
83.04985	0.8
84.08145	2.8
85.02905	5.0
85.06558	1.6
86.06078	1.5
86.09713	8.8
87.04479	1.8
87.27934	0.3
87.28562	0.3
91.05488	1.0
93.07052	1.9
94.06564	2.3
95.04993	1.3
95.08604	4.4
96.08117	1.9
96.51423	0.3
97.02916	1.6
97.06568	1.4
99.04463	2.8
99.08114	0.4
100.07629	0.6
105.07030	1.7
107.08633	1.5
108.08105	1.7
109.02905	0.8
109.06541	0.6
109.08911	0.4
109.10169	1.1
110.09705	0.6
111.07330	0.7
111.08080	10.8
111.08826	0.6
115.03930	2.6
117.09175	0.4
117.21630	0.4
119.08601	1.8
120.08134	0.6
121.06535	0.4
121.10208	1.0
122.09670	3.3
123.08088	1.3
124.07639	0.9
124.11253	0.4
125.06001	2.8
125.09634	1.2
126.09117	0.4
127.03926	2.0
131.08582	0.8
132.08083	0.6
133.04985	1.4
133.10146	1.2
134.09666	3.6
135.08144	0.4
135.11618	0.3
135.75925	0.4
136.11253	1.6
136.88191	0.3
137.09665	0.7
138.09163	1.0
139.07544	0.7
145.04973	2.7
145.10110	0.4
146.09688	0.6
148.11256	0.7
149.09628	0.4
150.09123	3.8
150.12819	0.6
152.07170	0.5
152.10718	3.8
153.09122	0.7
154.12283	1.1
157.10106	0.3
161.13275	0.5
162.12794	0.8
163.06073	1.4
164.10695	0.9
166.08669	0.5
168.10196	4.4
170.11859	0.7
171.24359	0.4
178.12263	0.6
180.10265	0.7
180.13872	0.7
182.11771	7.2
183.12057	0.5
184.13390	1.0
187.64809	0.4
195.01138	0.7
198.11269	0.9
200.12828	9.0
200.14561	0.6
201.13002	0.6
208.13397	0.8
222.14995	0.5
225.14931	0.4
232.13390	0.6
232.17149	0.4
238.14372	0.5
250.18057	0.9
252.16003	0.6
258.13544	0.4
262.18045	0.7
265.72546	0.4
266.14029	1.6
277.09335	0.8
278.17630	1.3
280.19205	1.3
284.40314	0.4
294.17053	0.4
296.18582	0.4
306.54758	0.4
318.20691	0.5
330.15643	0.4
336.21725	1.5
361.67648	0.3
364.21198	0.4
366.22653	0.8
374.23236	0.6
382.22314	1.5
384.23892	1.0
392.20114	0.5
392.24454	4.0
410.25427	28.9
411.20810	0.6
411.25586	2.3
428.26550	100.0
429.14291	0.6
429.21106	2.4
429.26917	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	428.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
57.07076	19.6
59.03222	3.0
59.96626	3.5
65.40239	3.5
67.05498	7.3
69.07059	7.4
69.21503	5.1
69.21793	22.2
69.75593	3.6
71.08635	13.4
81.07047	8.6
85.10170	7.7
87.04466	4.1
91.05476	4.2
93.07040	8.3
95.04961	4.1
95.08041	3.7
95.08601	15.1
98.22714	8.0
98.98480	17.5
99.61401	3.7
103.05466	5.0
108.25204	3.9
119.08563	3.6
121.06506	100.0
138.09143	36.2
155.01067	40.0
165.12756	5.8
177.12750	6.9
239.23666	7.5
291.23254	6.6
313.27475	18.6
319.19553	5.0
337.20441	4.6
357.90195	3.6
393.23792	18.7
428.26367	9.3
428.31546	21.0
429.31802	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01867	3.8
55.05508	0.6
57.03427	7.8
57.07076	0.7
59.05005	0.9
61.02930	10.9
62.73145	0.6
69.03430	36.0
69.35989	3.1
71.02689	0.5
71.04985	4.0
72.56293	0.5
73.02914	9.0
74.64297	0.5
79.05502	2.0
81.03419	22.9
81.07060	2.4
83.04989	1.1
85.02906	97.0
86.03239	1.0
86.09698	0.6
87.00835	1.8
87.04469	25.7
91.03959	6.9
91.05467	2.9
93.07056	1.1
95.04979	2.4
95.08599	0.9
97.02892	29.4
98.03224	1.0
99.04456	6.2
101.02402	0.7
103.03948	9.6
105.01868	0.8
105.07046	1.4
107.04893	1.3
107.08585	2.3
109.02881	14.3
111.08083	0.9
115.03932	100.0
116.04276	2.0
117.06994	1.1
119.04957	1.4
119.08607	1.1
121.10162	1.5
127.03912	39.2
128.04236	0.7
129.06999	0.7
131.04907	0.8
131.08588	0.9
133.04965	24.7
135.04349	0.9
135.11691	1.2
136.11256	0.9
137.05972	16.7
141.07022	1.1
145.04959	56.2
145.06329	1.7
145.10138	1.5
146.05252	0.8
147.04398	0.7
147.11703	0.7
154.08635	10.0
157.04935	2.1
159.02847	1.3
161.05945	1.1
163.06007	5.4
163.11171	7.8
167.07141	0.6
173.05981	4.1
175.06009	0.8
181.12129	0.8
185.09552	0.8
189.05440	1.3
189.09050	0.8
191.29485	0.6
193.12321	1.4
197.05867	1.1
199.06004	0.9
201.05431	1.8
205.12169	0.6
211.13240	1.8
215.07204	1.5
217.07016	2.3
217.97557	0.6
218.37996	0.7
219.06511	3.1
220.10501	0.7
221.63809	0.7
231.04976	0.8
243.06425	1.1
249.07611	0.7
249.14742	0.7
251.12814	0.7
259.08139	8.8
261.07532	2.3
277.09164	5.6
285.16815	0.7
332.14728	1.3
411.19470	1.9
412.20786	1.4
428.25870	1.0
429.13486	1.9
429.20779	6.3
429.26385	1.3
430.17853	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	429.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01856	1.5
56.96573	4.2
57.03434	5.3
61.02930	4.5
61.38362	0.5
62.51212	0.5
69.03429	23.0
69.84153	2.2
71.04984	2.5
73.02934	3.7
73.03275	0.8
81.03423	12.1
85.02906	58.7
86.03236	1.5
87.04468	25.0
91.03963	1.6
97.02893	16.3
98.97594	1.5
99.04458	9.8
101.02370	0.9
103.03955	1.1
109.02887	10.3
115.03931	100.0
116.04267	1.9
117.05494	6.1
120.08100	7.6
127.03915	32.9
128.04266	1.0
133.04970	28.2
135.06487	4.2
145.04961	30.2
146.05295	1.1
153.05798	0.7
153.06464	0.8
153.07552	4.8
157.04951	1.4
161.01178	0.6
163.06015	8.4
166.08652	4.2
178.05446	2.9
219.01752	0.9
222.04358	3.4
240.05426	1.5
241.07141	1.5
243.08583	0.8
259.08157	7.7
262.97412	0.9
264.05508	1.2
268.19101	0.7
277.09152	13.6
369.11301	3.6
375.12646	1.0
393.13950	1.1
428.22769	1.1
429.23190	6.3
430.24353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05508	0.2
57.03432	0.5
58.84586	0.3
61.02911	0.4
69.03423	1.3
69.07053	0.7
70.03770	0.3
70.06599	0.5
71.04993	2.1
73.02908	0.3
73.04738	0.3
81.03418	0.5
83.04980	0.4
85.02905	5.0
85.06548	0.2
86.03244	0.9
87.04462	0.4
91.99502	0.2
95.05002	0.3
95.08604	0.4
97.02895	1.0
98.03228	0.3
109.02866	0.4
111.08036	0.4
115.03938	0.6
125.09637	0.3
127.03929	0.9
128.04253	0.6
128.07800	0.2
135.04730	0.8
145.04967	2.8
146.05296	1.3
147.04431	0.8
153.05806	4.1
163.06009	1.3
164.06297	0.6
172.94797	0.2
203.05234	1.6
223.63712	0.2
224.72609	0.2
249.14668	0.9
267.15771	0.3
274.14487	0.4
302.13852	0.6
309.15494	0.5
371.16840	3.3
386.09137	0.2
411.15161	0.5
411.19925	1.8
411.25665	0.7
412.26804	0.4
429.21011	100.0
430.21466	6.1
430.28070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33388	0.4
53.73792	0.4
61.02929	0.5
65.35779	0.5
69.03426	1.1
69.07066	0.5
69.38874	2.0
81.03429	0.4
85.01505	0.4
85.02906	2.9
85.21106	0.5
86.03242	0.8
87.54077	0.4
94.26849	0.4
97.02900	0.6
98.23444	0.9
118.03429	0.4
121.06317	0.5
127.03909	0.9
145.04974	1.6
163.06042	0.9
203.05208	2.1
225.71971	0.5
358.04532	0.4
371.16983	1.2
429.20978	100.0
430.17255	0.7
430.21518	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	429.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
56.96563	0.7
57.03416	0.3
59.15507	0.3
64.98170	0.3
65.15594	0.3
67.55235	0.3
69.03423	1.7
69.34254	0.5
69.34643	0.8
70.06594	0.4
71.04993	0.6
73.04751	0.5
81.03412	0.5
81.07099	0.2
83.04951	0.4
84.12022	0.3
85.02904	4.1
87.04462	1.3
91.05799	0.7
97.02882	1.7
98.97590	1.4
99.04448	0.5
101.05999	0.4
104.58190	0.3
109.02875	0.6
110.97531	0.3
115.03931	4.2
116.98601	0.4
123.26578	0.2
127.03901	1.9
133.04968	1.5
133.90433	0.2
137.08090	0.5
145.05005	1.9
153.05739	0.6
167.05540	0.3
168.07475	0.3
181.04985	0.5
182.08098	0.3
208.13217	0.3
209.13628	0.3
219.01706	0.3
237.02721	0.3
243.01904	0.3
247.09836	0.3
252.24120	0.3
259.08124	0.4
267.15738	0.4
274.14343	0.8
277.09232	1.7
287.40369	0.3
302.13968	1.0
331.19702	0.3
355.19290	0.8
359.02832	0.8
359.12994	0.4
369.04810	0.5
387.06088	0.6
405.56161	0.3
411.19711	3.2
429.20932	100.0
430.20862	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	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81886	1.6
52.62968	2.1
53.03942	9.5
55.01889	5.0
55.05517	13.4
57.03439	16.9
58.68003	1.8
61.02932	2.0
67.05514	23.9
69.03433	32.3
69.07074	5.5
70.58081	3.0
71.04994	9.5
73.02912	3.8
74.58674	1.6
78.29660	1.6
79.05489	22.4
81.03425	85.6
81.07060	24.7
82.20815	1.7
83.04992	19.2
83.08628	16.7
85.02911	29.6
85.06554	4.4
87.04494	1.9
91.05486	24.9
91.37452	1.9
93.07047	15.1
95.04979	22.7
95.08616	10.9
97.02905	47.1
97.06556	5.4
97.10200	5.4
99.04463	9.6
101.02388	2.8
103.03934	4.4
105.07033	17.8
107.04961	8.5
107.08595	8.8
109.02882	17.8
109.06544	5.4
109.10175	5.0
111.04479	5.9
111.08092	9.7
113.06009	2.9
115.03954	4.8
117.07045	4.8
119.04979	2.6
119.08582	19.2
120.08129	1.8
121.06512	3.0
121.10166	8.7
123.04477	2.9
123.08096	3.3
123.11787	2.9
125.09628	3.6
127.03925	21.1
129.05501	4.6
129.07018	8.5
130.45142	1.8
131.04892	1.8
131.08585	11.5
133.04958	2.2
133.06496	4.6
133.10129	12.1
134.06081	2.3
135.06398	2.4
135.08038	3.1
135.11688	2.7
142.07803	2.0
145.04980	7.0
145.10120	5.2
147.08070	4.2
147.11707	19.1
148.07596	4.4
149.09654	6.0
151.11208	2.1
153.05519	4.4
153.12685	2.2
154.08658	4.5
157.10141	11.1
163.03958	2.8
163.11192	5.1
165.12761	8.6
168.41873	1.7
173.09636	2.3
175.11194	16.5
181.12338	2.8
183.06505	2.5
189.09227	1.9
189.12872	2.8
191.10725	2.3
193.12257	55.4
193.13974	3.6
211.13303	100.0
212.13699	6.9
227.12767	2.2
229.14493	4.9
235.13383	3.3
249.14857	5.9
259.13290	2.0
267.16049	7.2
273.15030	2.3
274.14459	4.2
285.17017	19.0
290.17966	1.8
291.16196	2.0
309.17252	2.5
313.16312	2.0
319.15463	2.5
337.16516	3.5
351.18414	2.4
355.17700	3.6
384.18359	1.9
393.19247	4.1
411.20187	7.2
429.21292	86.3
430.18741	8.1
430.21982	7.6
430.27118	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	429.2124
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.81886	1.6
52.62968	2.1
53.03942	9.5
55.01889	5.0
55.05517	13.4
57.03439	16.9
58.68003	1.8
61.02932	2.0
67.05514	23.9
69.03433	32.3
69.07074	5.5
70.58081	3.0
71.04994	9.5
73.02912	3.8
74.58674	1.6
78.29660	1.6
79.05489	22.4
81.03425	85.6
81.07060	24.7
82.20815	1.7
83.04992	19.2
83.08628	16.7
85.02911	29.6
85.06554	4.4
87.04494	1.9
91.05486	24.9
91.37452	1.9
93.07047	15.1
95.04979	22.7
95.08616	10.9
97.02905	47.1
97.06556	5.4
97.10200	5.4
99.04463	9.6
101.02388	2.8
103.03934	4.4
105.07033	17.8
107.04961	8.5
107.08595	8.8
109.02882	17.8
109.06544	5.4
109.10175	5.0
111.04479	5.9
111.08092	9.7
113.06009	2.9
115.03954	4.8
117.07045	4.8
119.04979	2.6
119.08582	19.2
120.08129	1.8
121.06512	3.0
121.10166	8.7
123.04477	2.9
123.08096	3.3
123.11787	2.9
125.09628	3.6
127.03925	21.1
129.05501	4.6
129.07018	8.5
130.45142	1.8
131.04892	1.8
131.08585	11.5
133.04958	2.2
133.06496	4.6
133.10129	12.1
134.06081	2.3
135.06398	2.4
135.08038	3.1
135.11688	2.7
142.07803	2.0
145.04980	7.0
145.10120	5.2
147.08070	4.2
147.11707	19.1
148.07596	4.4
149.09654	6.0
151.11208	2.1
153.05519	4.4
153.12685	2.2
154.08658	4.5
157.10141	11.1
163.03958	2.8
163.11192	5.1
165.12761	8.6
168.41873	1.7
173.09636	2.3
175.11194	16.5
181.12338	2.8
183.06505	2.5
189.09227	1.9
189.12872	2.8
191.10725	2.3
193.12257	55.4
193.13974	3.6
211.13303	100.0
212.13699	6.9
227.12767	2.2
229.14493	4.9
235.13383	3.3
249.14857	5.9
259.13290	2.0
267.16049	7.2
273.15030	2.3
274.14459	4.2
285.17017	19.0
290.17966	1.8
291.16196	2.0
309.17252	2.5
313.16312	2.0
319.15463	2.5
337.16516	3.5
351.18414	2.4
355.17700	3.6
384.18359	1.9
393.19247	4.1
411.20187	7.2
429.21292	86.3
430.18741	8.1
430.21982	7.6
430.27118	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	429.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62212	0.3
55.05507	2.5
57.03436	42.2
57.07078	1.4
58.03787	0.3
60.81853	0.3
61.02927	9.8
67.05499	3.5
69.07057	3.0
70.60606	0.5
71.08635	0.9
75.04482	0.9
79.05498	0.4
81.07055	4.9
83.08617	3.2
85.10183	0.5
91.01971	0.2
92.13000	0.3
93.07066	0.6
95.08608	5.7
97.10168	2.9
101.77872	0.3
107.08563	0.6
108.24564	0.3
109.10161	2.8
111.11684	1.3
113.00027	0.4
117.05489	100.0
118.05836	1.1
121.10107	0.3
123.11708	1.5
125.13261	0.5
128.07072	0.3
133.10184	0.3
137.13231	0.8
151.14764	0.3
169.02625	0.4
190.87260	0.3
224.84550	0.3
239.44890	0.3
255.87796	0.3
261.99338	0.3
274.14362	1.1
277.29059	0.5
283.26334	0.3
295.29852	0.4
302.13867	0.5
363.36581	0.3
411.34677	6.1
429.31857	1.0
430.18362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05260	3.8
55.05511	65.3
57.03435	20.6
57.07071	34.8
66.91225	1.9
67.05504	71.1
68.05852	3.0
69.07066	94.5
69.46057	5.5
69.46455	6.8
71.04993	4.1
71.08633	18.1
78.17701	2.7
79.05497	15.8
79.54944	2.4
80.94866	2.9
81.07054	100.0
82.07363	2.5
83.08619	75.0
85.06554	2.8
85.10181	8.8
91.05476	7.1
92.55484	2.2
93.07055	18.3
95.04935	2.2
95.08603	87.9
97.06540	7.9
97.10163	56.6
105.07024	4.7
107.08582	13.4
109.10155	35.9
111.08067	3.1
111.11707	27.2
113.00014	51.0
119.08585	5.5
121.10114	13.5
123.11709	16.1
125.09655	5.5
125.13276	10.6
131.08531	2.6
133.10100	6.6
135.11720	10.1
137.13272	9.8
139.11195	3.6
143.10672	2.5
147.11705	4.0
149.13297	7.2
153.12831	2.6
153.16454	2.8
161.13235	4.1
163.14867	4.7
169.02617	41.5
177.16399	4.0
179.17830	2.4
185.15451	2.6
219.21150	3.1
243.21013	3.0
253.43739	2.3
261.22211	9.8
274.14368	8.9
275.23727	3.0
286.58661	2.5
301.28912	7.5
302.13916	8.8
319.29919	23.5
337.31003	19.3
393.33588	2.4
411.34671	31.8
429.35773	83.2
430.18353	11.7
430.35928	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05513	3.1
57.07079	15.3
64.68366	0.6
67.05505	3.6
69.07079	4.0
70.60689	1.1
71.08640	9.4
72.22942	0.5
72.74677	0.5
73.76277	0.5
79.05480	2.0
81.07061	5.1
83.04951	0.8
83.08629	3.4
85.10178	5.3
91.05466	1.5
91.17456	0.5
93.07029	2.1
95.08602	6.1
97.10155	2.3
99.11702	1.0
105.07030	1.3
107.08591	4.4
109.06522	0.9
109.10143	5.7
111.11715	1.2
119.08573	2.7
121.06493	1.5
121.10148	3.4
122.07274	1.1
123.08051	1.0
123.11700	1.5
125.13261	0.6
131.08546	2.0
133.10106	1.5
135.08040	4.3
135.11719	1.5
136.08844	0.9
137.05925	0.6
137.09616	9.9
139.07558	1.4
144.09435	0.7
145.10066	2.2
149.09630	12.3
150.21091	0.5
151.07516	1.4
157.10069	0.7
159.08070	0.8
159.11696	2.0
160.08829	1.0
161.09612	1.2
162.06793	1.1
163.11185	18.5
164.08328	1.4
165.09119	100.0
166.09471	1.8
171.11693	0.8
173.09639	2.4
173.13283	1.6
175.11189	5.5
176.08331	1.5
177.09116	10.3
177.12753	0.9
179.10681	1.0
183.37294	0.6
186.10416	0.7
187.11229	1.5
189.09126	1.1
189.11174	0.6
189.12791	2.3
190.09843	1.3
191.10690	10.5
191.12502	0.9
200.11786	0.7
201.12822	2.8
203.10725	1.7
203.14240	1.1
205.12265	10.3
215.14314	2.1
219.13785	5.2
227.33580	0.5
233.15388	3.3
247.16937	1.6
261.18509	1.7
275.19974	1.8
289.21603	2.4
303.23212	2.4
317.24805	1.6
345.27890	1.1
359.29440	1.4
373.30954	1.6
401.34079	3.0
411.36151	2.4
429.37305	71.4
430.37881	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.0
55.01872	13.7
57.03429	5.7
60.04518	1.9
61.02925	6.7
67.05503	1.7
68.86224	1.2
68.99795	2.8
69.03430	34.6
69.47597	4.3
71.04983	6.9
71.81030	1.1
73.02916	11.5
75.42062	1.3
81.03416	33.6
81.07049	1.4
84.08134	2.3
85.02905	100.0
86.09701	2.7
87.00827	38.6
87.04472	2.1
91.03947	2.6
97.02254	2.3
97.02890	39.9
98.23396	1.7
99.04453	16.1
105.01868	37.9
108.04481	9.4
109.02879	43.2
115.03951	2.4
117.01849	4.2
122.09824	1.1
123.08057	1.5
126.05524	5.2
127.03917	83.1
128.04298	1.4
129.01842	5.0
137.05968	3.8
142.77367	1.4
145.04962	50.4
147.02917	4.3
147.08031	1.2
159.02888	32.4
165.09082	1.8
174.09149	2.4
175.09915	2.7
177.03926	1.6
180.56001	1.2
189.09071	6.1
200.10783	1.5
207.10179	2.5
213.03943	2.9
222.14946	1.8
230.06598	3.9
231.04984	20.9
231.10054	3.3
248.07664	7.0
249.05977	2.2
256.13361	2.4
262.19000	1.5
273.11169	2.8
274.14389	28.5
275.14725	1.5
291.19473	4.0
298.53342	1.3
302.13821	28.2
303.14468	2.5
314.13657	1.4
373.82291	1.5
398.23032	2.8
430.17899	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19046	0.3
52.20305	0.3
53.03942	0.3
55.01867	0.4
63.02378	0.3
65.03927	0.3
69.03417	0.6
69.36138	0.7
69.36526	0.6
79.05497	0.7
85.02888	0.9
91.05482	27.9
92.05820	0.7
95.04944	0.4
104.06247	0.9
107.04957	4.7
108.72310	0.3
109.02876	0.4
115.05457	4.5
116.06283	0.6
117.07018	4.7
119.04979	0.6
119.08583	4.3
121.06470	0.5
128.06207	0.5
129.06979	1.0
131.04922	1.1
132.05721	3.9
135.08009	1.8
143.06100	0.4
143.08501	0.3
145.06505	0.5
145.07597	0.6
147.08047	100.0
148.08403	2.0
171.08057	0.8
174.09142	0.7
175.09845	0.7
200.10687	0.8
204.10204	0.4
215.10701	4.9
223.58261	0.4
233.11809	2.3
274.14368	7.6
302.13828	6.7
402.18994	0.3
412.18417	1.0
427.00079	0.4
430.18518	8.5
431.18958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01873	9.9
55.05517	1.4
57.03431	2.9
57.04367	1.4
61.02927	2.2
68.99792	1.8
69.03433	23.0
70.07302	1.6
70.07639	2.9
71.04980	4.9
73.02901	4.2
77.35239	1.4
81.03423	16.4
81.07058	2.1
83.01358	1.8
85.02907	59.2
87.00831	18.9
91.05412	1.5
95.08609	1.4
97.02889	23.7
97.57580	1.6
98.06068	1.9
99.04467	14.0
103.03941	1.4
105.01867	18.7
105.06974	1.7
108.04463	5.9
109.02188	1.8
109.02886	19.9
115.03899	1.8
117.01832	2.7
125.06028	2.0
126.05500	2.9
127.03918	41.7
127.04876	2.1
129.01849	4.0
132.08131	1.7
133.06483	1.6
137.05960	7.3
145.03160	1.4
145.04984	23.8
147.02863	2.5
148.11247	3.9
150.09129	2.8
158.09698	3.6
159.02875	18.1
160.11317	1.8
165.09148	8.4
172.11224	2.8
174.09140	6.0
175.07529	1.5
175.09912	5.2
176.10754	2.1
177.09085	2.9
186.09146	2.8
186.12747	1.9
188.10718	1.7
189.03941	1.9
189.09119	4.0
200.10684	4.1
201.11476	2.1
204.10254	2.4
207.10208	2.9
213.03938	2.0
214.08580	1.6
228.13771	2.8
230.06566	2.3
231.04880	8.3
231.10280	2.8
246.14902	2.0
248.07707	3.6
248.12549	1.7
256.13275	5.8
273.11151	1.7
274.14377	93.4
275.14795	5.2
294.13260	1.5
302.13867	84.4
303.14453	7.4
332.14911	2.0
384.18100	3.1
397.21887	2.3
398.22363	4.8
404.61731	1.3
412.17685	4.7
422.23785	1.5
430.18558	100.0
431.18481	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	430.186
Annotation	Romucosine G
Peak:m/z	Relative Intensity
53.03940	0.3
53.72635	0.2
55.01868	0.8
57.03434	0.3
57.63237	0.2
61.02917	0.4
68.22712	0.2
69.03429	1.5
73.02910	0.3
81.03410	0.5
83.01326	0.5
85.02903	4.6
85.06043	0.2
87.00845	0.4
87.04465	0.4
91.03948	0.2
91.05473	0.3
95.08624	0.3
97.02885	1.6
97.06551	0.2
99.04447	0.7
105.01850	0.7
105.07036	0.2
109.02890	0.6
111.08085	0.2
115.03928	1.3
117.00518	0.2
117.03629	0.2
119.04953	0.5
119.08657	0.2
121.06490	0.2
122.09663	0.2
123.10434	0.4
123.18789	0.2
125.06007	0.3
127.03912	1.8
131.08505	0.2
132.08087	0.8
133.05023	0.3
133.08900	0.2
136.07472	0.2
137.06017	0.4
145.04953	2.5
146.09570	0.2
147.04388	2.8
148.11194	2.5
149.11974	0.6
151.07576	0.3
154.08632	0.7
158.09671	0.3
160.11206	15.0
161.05980	0.2
161.08575	0.2
161.11798	0.7
163.06012	0.7
165.05464	0.5
172.11214	0.2
175.07562	0.3
176.10664	1.5
186.09123	0.2
186.12668	0.2
187.09943	0.5
188.10680	2.7
189.09119	0.4
189.11412	0.7
200.10786	0.2
203.07060	0.3
204.10214	0.2
213.31821	0.2
214.12241	2.0
215.12706	0.4
216.10223	0.3
216.13829	0.3
218.11736	0.4
220.09674	0.3
221.10388	0.2
226.12344	0.2
228.13858	0.2
230.11758	0.3
231.12518	0.8
232.09593	0.4
232.13409	0.2
233.10370	0.4
242.11775	0.8
244.09589	0.2
244.13315	4.4
245.13828	0.6
248.12759	0.2
252.01216	0.2
254.11731	0.4
256.13431	0.3
258.11124	0.4
258.14929	0.6
259.15689	3.8
260.12845	0.5
260.16000	0.2
263.09210	0.4
270.11194	0.9
271.11984	0.3
272.12833	0.3
274.14322	1.7
275.15036	0.3
276.12332	0.5
280.13235	0.2
286.14426	0.7
287.15155	7.9
288.15662	0.7
298.14297	0.2
300.15762	0.3
302.13934	0.9
303.14526	1.4
312.15976	0.3
314.13763	0.4
314.17264	0.4
316.15460	0.3
326.14084	0.2
326.17389	1.2
326.28333	0.2
328.15344	0.4
330.13309	0.6
331.14056	0.3
332.14899	15.3
333.15253	1.1
340.15405	0.3
354.17041	1.7
356.14844	0.5
358.20087	0.3
370.16504	3.1
371.16895	0.4
386.19531	0.8
395.09244	0.3
396.16205	0.2
397.15283	0.2
398.16086	0.4
402.18970	0.3
412.17444	0.6
417.29593	0.2
430.18576	100.0
431.13113	0.4
431.18942	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	430.1865
Annotation	Periglaucine D
Peak:m/z	Relative Intensity
55.05517	1.1
59.63647	0.9
67.05501	4.1
69.03430	2.3
69.46716	1.6
69.47117	3.6
70.06596	4.7
71.04995	2.2
77.48180	0.9
79.05504	2.6
83.01349	2.0
91.05486	1.3
95.04974	3.8
99.04476	2.7
101.14522	1.0
107.04916	1.3
109.06501	3.2
111.08113	1.2
117.07011	1.3
120.08105	2.1
123.39016	1.0
125.05993	1.1
127.03936	1.6
127.07590	2.9
132.08133	1.2
133.08867	2.5
134.09657	1.2
136.07590	1.2
137.27385	1.2
146.09674	3.5
148.11226	1.9
150.09065	1.1
151.03902	1.4
155.03378	6.1
155.07053	3.1
158.09631	2.2
159.10411	4.0
160.07521	1.8
160.11211	5.3
162.09135	6.3
163.09976	1.6
165.05466	2.2
167.07085	8.1
172.07593	2.0
172.11243	4.0
173.11975	4.1
174.09167	3.7
174.12773	5.0
175.09895	1.8
176.10724	2.9
183.06558	3.8
186.09102	8.5
186.12813	3.4
187.09904	6.9
188.10721	9.0
199.13611	1.9
200.10732	7.4
200.14374	1.5
201.09740	1.1
201.11432	5.6
202.12282	15.9
203.12892	2.2
208.09743	3.0
212.10854	2.6
212.14598	1.4
214.08655	1.6
214.12279	2.7
216.13914	1.5
218.08128	1.2
218.11746	9.3
226.12315	1.6
227.12991	1.6
228.10349	1.3
228.13901	2.0
230.15376	5.9
232.09686	43.1
233.10381	11.4
245.10513	2.2
246.11263	16.9
247.11874	1.7
248.12535	1.6
258.11285	3.4
258.14908	2.2
259.12128	4.7
260.12900	2.5
272.12833	22.6
273.13257	1.2
274.14386	19.2
275.14658	2.0
276.15952	1.4
282.11053	1.0
286.14352	3.5
296.12866	1.1
298.14929	1.2
302.13834	14.0
308.16440	1.5
314.13763	1.5
354.16974	4.9
356.14706	1.6
356.18744	3.0
366.16861	1.5
380.14877	1.1
384.18054	73.6
385.18433	3.8
386.19562	18.5
398.15970	1.1
412.17654	7.3
430.18625	100.0
431.18970	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	430.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16285	0.7
61.60585	0.6
67.05494	1.2
69.03420	2.0
69.38535	0.7
80.05016	1.3
81.03386	0.8
83.01343	4.2
83.04968	0.9
87.04465	1.0
91.05508	0.8
93.07023	0.7
95.08611	0.9
99.04452	14.4
109.02843	1.0
115.03957	1.4
120.08149	1.7
146.05974	1.0
147.08080	0.8
155.03387	100.0
156.03720	2.1
159.72194	0.7
160.07588	0.8
160.11230	1.6
161.76254	0.7
162.12778	10.9
167.07048	1.4
174.09044	0.9
188.10696	13.3
188.80138	0.7
202.12154	0.8
228.14021	1.2
230.11778	0.9
234.11137	0.8
258.14886	19.7
274.14389	10.5
276.15927	21.2
302.13852	8.5
316.15408	1.6
319.60092	0.9
342.13611	1.0
387.43332	0.8
412.17593	5.2
430.18604	24.9
431.18820	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	430.186
Annotation	periglaucine D
Peak:m/z	Relative Intensity
55.01871	2.4
57.22241	0.4
65.56671	0.4
69.03403	1.0
69.55358	1.2
69.55746	0.8
71.04977	0.4
74.14287	0.4
75.02850	0.5
76.49175	0.5
79.05476	0.7
91.05474	0.6
97.06527	0.6
99.04427	0.6
103.92363	0.5
105.07025	0.6
106.06535	0.5
119.04945	0.5
120.08103	0.5
125.05992	1.6
131.04901	0.7
132.08089	0.7
143.85741	0.4
144.08115	1.2
148.07532	0.9
148.11201	2.5
150.09125	1.5
158.09604	1.2
160.11197	0.7
162.09099	2.4
170.09520	0.4
172.11195	1.5
174.09169	6.2
175.09918	6.8
176.10738	2.5
186.09111	2.2
188.10684	1.8
200.10660	4.9
201.11441	0.9
204.10144	2.9
214.08656	0.6
214.12303	0.5
216.10208	0.6
218.11778	0.9
226.12358	0.5
228.13860	2.2
242.11700	0.4
246.11229	0.7
246.14897	2.2
256.13354	3.4
262.14325	0.5
270.11185	0.5
274.14374	100.0
275.14694	4.8
276.15921	0.7
286.14139	0.6
288.15787	0.6
300.73764	0.5
302.13864	83.3
303.14291	7.0
304.14920	0.5
314.13791	0.5
326.17288	0.6
384.17932	1.2
402.19159	0.5
412.17569	2.1
430.18616	58.1
431.18912	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	430.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63272	0.7
55.01858	1.5
55.05508	0.9
61.99463	0.6
67.01844	1.3
67.05495	1.2
69.03419	1.5
69.08910	3.1
69.09314	1.4
71.04991	4.1
74.54454	0.7
80.05006	0.7
83.01358	0.9
85.87616	0.7
91.05451	1.0
93.07045	0.8
95.04968	1.6
98.23443	1.7
99.04450	6.9
100.64784	0.6
106.06579	1.3
109.06509	1.2
111.08083	0.7
115.10091	0.7
118.06556	2.7
119.07307	1.9
119.08591	1.2
120.08099	6.5
122.11034	0.8
124.05219	0.7
129.07011	1.2
130.06523	2.6
131.07286	1.7
132.08081	4.0
133.08948	0.8
134.05978	1.1
134.09624	0.8
139.07570	1.4
144.08098	5.6
145.08922	4.5
146.06061	1.2
146.09657	16.8
147.06773	3.8
147.10396	1.2
148.07526	3.7
148.11143	1.1
149.08308	1.1
155.03386	7.7
155.07074	1.5
156.08087	2.4
157.08847	2.7
158.09668	6.5
159.10429	1.5
160.07553	3.8
160.11217	2.5
162.09152	5.2
165.05478	1.4
167.07042	4.8
172.07515	0.8
172.11243	6.2
173.08372	2.6
173.11987	3.9
174.09138	27.1
174.12791	9.5
175.09929	16.4
176.10489	2.1
178.08658	1.0
183.06558	1.4
184.11240	5.5
185.11943	1.0
186.09142	3.2
186.12737	2.0
187.09912	1.2
188.10728	3.0
190.08667	0.7
190.12344	0.8
200.10674	8.1
201.11441	2.1
202.12262	37.3
203.12808	3.1
204.10258	4.8
212.10727	1.6
214.08739	1.3
218.11757	56.8
219.12115	2.5
220.13329	4.3
228.10175	3.8
228.13805	1.2
230.11784	9.6
246.11253	35.1
247.12012	29.1
248.12814	40.6
249.13269	1.1
256.13300	1.6
264.12289	3.0
272.13168	0.8
274.14389	18.9
275.14639	1.4
276.15970	3.7
286.14435	0.7
302.13858	25.6
303.14215	2.0
326.17459	0.9
328.15143	0.8
335.01413	0.8
342.16907	1.5
356.15109	0.8
366.17184	1.2
384.18018	10.8
386.19531	1.1
402.19339	1.1
412.17480	7.1
430.18549	100.0
431.18896	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	430.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
66.40721	0.8
67.01856	1.0
67.05498	1.8
69.03417	1.2
70.80439	0.7
71.05004	6.0
77.03945	0.8
79.05483	2.1
80.05029	1.8
81.03423	1.2
81.07055	1.2
83.04993	1.1
91.05486	2.2
93.07068	1.1
95.04961	1.1
99.04461	7.4
105.07027	0.9
106.06552	1.2
111.08086	1.4
117.05740	0.9
118.06522	3.3
119.07316	1.8
120.08092	6.0
130.06552	2.9
131.07307	2.9
131.08592	0.8
132.08110	5.9
134.06036	1.4
134.09653	1.1
139.07526	1.4
143.07317	0.9
144.08118	5.8
145.08890	6.5
146.09651	22.3
147.06813	2.7
147.10382	1.3
148.07597	4.7
149.08372	1.1
150.09151	2.3
151.03905	1.5
155.03409	2.6
155.07033	1.4
156.08112	2.8
157.08896	1.7
158.09647	8.3
159.10451	2.7
160.07597	6.0
160.11235	2.6
162.09151	4.9
165.05568	1.0
167.07121	5.4
169.08908	1.8
170.09637	0.9
172.07547	1.0
172.11198	6.7
173.08391	2.7
173.12024	5.5
174.09154	34.0
174.12775	14.5
174.14198	1.5
175.09929	18.1
176.10670	1.4
178.08705	1.1
183.06575	1.6
184.11185	7.0
185.11963	1.4
186.09128	1.5
186.12801	2.0
187.09918	1.6
188.10757	4.9
190.08635	1.6
190.12206	1.5
191.09322	1.1
200.10706	7.3
201.11501	1.8
202.12270	48.2
203.12863	3.4
204.10165	7.8
212.10782	1.0
216.10208	0.8
218.11768	60.1
219.10196	1.1
219.12181	2.9
220.13293	3.8
228.10182	2.9
228.13832	1.1
229.10791	1.0
230.11752	12.4
237.11461	1.0
246.11266	39.9
246.14981	1.8
247.09695	1.9
247.12029	34.2
248.12811	49.2
249.13162	3.0
256.13351	1.8
264.12329	3.6
274.14343	9.9
302.13916	19.7
303.14319	1.5
336.35712	0.9
354.17059	0.9
384.18036	10.3
402.19156	0.9
412.17587	5.5
430.18610	100.0
431.18958	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	430.1865
Annotation	Periglaucine D
Peak:m/z	Relative Intensity
52.62328	0.5
55.01868	1.0
55.05508	0.8
67.01892	0.6
67.05502	1.5
69.03427	2.4
69.76541	0.9
69.76920	1.1
70.06593	0.6
71.04998	1.2
79.05495	1.5
80.05016	1.0
81.07082	2.7
82.06579	0.8
83.01335	0.9
83.04952	0.6
91.05468	1.7
93.07071	0.7
94.06557	0.8
95.04965	1.0
96.08086	0.6
96.66975	0.6
97.06514	0.9
98.06082	1.1
99.04458	2.7
100.07632	1.0
106.06519	0.7
108.08102	0.7
109.06525	1.7
110.06038	0.9
122.09694	1.0
125.06009	0.9
127.03903	1.2
127.86607	0.6
128.07108	1.2
129.06999	1.1
134.09665	0.7
137.05965	1.0
140.07085	0.6
144.08093	1.3
146.09651	1.3
148.07579	0.9
148.11258	3.4
149.05931	0.7
149.11943	0.7
150.09160	3.0
155.03439	3.0
155.08562	0.9
156.08092	0.7
157.08818	0.6
158.09674	1.8
162.09192	0.7
168.06569	0.9
170.09634	1.5
172.11276	1.7
174.09082	3.0
175.09853	0.8
176.10741	1.8
182.09703	1.1
183.08003	0.8
184.11269	1.1
186.09161	4.2
188.10672	2.3
189.11337	0.6
190.12379	0.8
191.07039	0.8
198.09203	1.1
200.10730	3.1
201.11487	1.3
202.08664	0.7
202.12283	2.2
204.10208	1.5
211.09773	0.7
212.10712	0.9
212.14374	0.7
214.08469	2.6
214.12225	0.9
216.10266	0.8
218.11777	1.6
219.10144	3.6
220.09705	2.0
224.10744	0.8
226.12379	0.9
228.10271	3.4
228.13911	1.7
229.14687	1.2
230.11749	1.1
230.15579	0.8
232.09671	0.8
232.13364	1.1
238.12277	1.7
239.13037	0.6
240.13860	0.8
242.11945	0.9
246.14890	1.8
247.09660	2.8
248.12849	2.4
250.08597	0.7
252.10136	1.1
254.11852	0.8
256.13342	4.6
257.14111	0.8
258.14865	1.2
268.09567	0.9
268.13519	0.6
270.11252	0.6
272.12820	1.0
274.14386	14.0
275.15109	2.6
276.12350	1.0
276.15878	1.3
282.11279	0.9
284.12787	4.7
286.14496	1.2
294.13348	6.4
298.14337	0.7
300.12262	0.9
302.13882	17.8
303.14594	4.4
314.13968	1.3
324.15759	0.7
352.15689	1.0
354.17084	1.2
356.14853	2.7
366.16739	0.6
384.18185	3.1
384.22336	0.6
386.19595	1.8
388.17041	0.6
402.18961	1.5
412.17542	8.3
430.18610	100.0
431.18945	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1864
Annotation	Periglaucine D
Peak:m/z	Relative Intensity
55.01863	2.0
69.03416	4.3
70.41492	1.5
70.41804	1.2
76.94405	1.2
81.07034	1.1
91.05412	1.0
99.04435	1.6
105.07040	1.5
109.06562	1.1
125.05959	1.5
132.08058	2.4
144.08104	1.9
146.09641	1.9
147.74605	1.4
148.07573	1.7
148.11241	2.7
150.09122	2.4
158.09618	1.3
160.11212	2.8
162.09111	3.4
170.09702	1.9
172.11206	3.0
173.12061	1.3
174.09163	4.1
175.09911	5.5
182.09589	1.3
186.09187	2.4
188.10663	10.8
200.10693	5.1
204.10191	2.3
228.13739	1.9
246.14865	1.9
249.08757	1.0
256.13342	4.7
258.14987	1.5
266.09366	1.8
274.14355	82.4
275.14673	5.7
276.15881	1.6
284.12833	3.9
294.08777	4.4
295.09857	1.5
298.14371	1.4
302.13840	67.4
303.14377	6.7
310.11942	13.4
328.11496	1.3
328.15198	1.3
333.23865	1.4
343.15414	1.2
356.14627	1.3
384.18051	6.9
385.18628	1.2
385.67694	1.1
386.19815	1.2
402.18942	1.7
412.17429	5.9
418.39569	1.2
430.18570	100.0
431.18649	28.1
431.26736	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	430.1859
Annotation	Periglaucine D
Peak:m/z	Relative Intensity
53.03940	0.4
55.01865	0.3
55.05500	0.4
55.21940	0.2
55.51952	0.2
57.03422	0.3
65.03916	0.3
67.05499	0.7
69.03429	3.3
69.07066	0.3
71.04989	1.3
75.23919	0.2
79.05511	1.3
80.05024	0.5
81.03415	0.6
81.07066	1.2
83.01343	1.0
83.01794	0.2
83.04971	0.4
83.07339	0.3
85.02907	1.3
86.06113	0.4
91.05478	2.8
93.07048	1.3
94.06577	0.3
95.04953	1.1
95.08595	0.3
96.08091	0.3
97.02883	0.5
97.06528	2.5
99.04462	2.5
101.93743	0.2
105.07023	1.9
106.06564	0.8
106.07262	0.2
107.04940	0.3
107.08572	0.7
108.05730	0.3
108.08120	0.4
109.02909	0.4
109.06505	0.9
109.08902	0.2
110.09687	0.2
111.08051	0.3
115.05447	0.2
117.07024	0.5
118.06547	0.5
119.04926	1.1
119.07312	0.3
119.08595	0.7
120.08127	1.1
121.06507	1.1
121.08881	0.2
122.09654	1.0
123.08064	1.0
123.10535	0.3
127.03910	1.6
128.06192	0.5
129.07028	0.4
130.07794	0.3
131.07393	0.3
131.08572	0.6
132.08089	1.1
133.06512	0.4
133.08873	3.2
133.09926	0.3
134.09644	0.5
135.08046	0.5
135.10408	0.6
136.05232	0.2
136.07555	0.5
136.11205	0.5
137.05977	1.7
137.09628	0.3
138.09146	0.3
140.07022	0.4
141.05441	0.3
144.08096	0.3
145.04915	0.4
145.06473	0.6
145.10097	0.3
146.07207	0.3
146.09633	0.6
147.08052	0.8
147.10495	0.3
148.07552	1.0
149.08408	0.3
149.09593	0.5
150.09140	0.9
151.03931	0.6
151.07538	0.7
152.10683	0.2
155.03389	1.3
155.07050	0.8
158.09616	0.6
159.06761	0.3
159.07996	0.4
159.10411	0.3
159.11687	0.3
160.07527	0.3
160.11217	0.8
161.06055	0.4
161.09573	0.3
162.09126	0.6
163.07530	0.4
165.05495	2.0
165.09172	0.4
166.08762	0.3
167.06999	0.7
168.10185	0.3
169.08745	0.3
169.10164	0.4
172.11191	0.2
173.05960	0.4
173.09660	0.3
174.09152	1.6
175.07541	0.5
175.09877	0.2
176.10750	0.4
177.09195	0.5
178.12323	0.2
179.07082	1.5
179.10770	0.2
180.10201	3.8
180.56404	0.2
181.08699	0.2
181.10484	0.3
183.06514	2.0
186.09142	0.7
187.07532	0.4
187.11198	0.4
188.10715	1.0
189.05487	0.3
189.09113	0.6
190.12267	0.3
191.07080	0.3
191.10631	0.3
191.14157	0.3
193.12325	0.3
194.08121	0.5
195.06564	0.5
197.09673	0.3
200.10719	0.8
201.11292	0.3
202.12328	0.8
203.06955	0.3
204.10231	0.6
205.08804	0.5
205.10999	2.2
206.11725	1.4
207.06522	1.4
207.10210	0.6
214.08633	0.3
214.12373	0.3
217.08656	0.4
218.09744	0.2
218.11743	4.0
219.10306	0.3
221.08090	0.6
228.13867	0.4
229.10936	0.3
230.11850	0.3
231.10251	0.4
232.09570	0.3
233.08060	0.6
233.11731	3.8
246.11246	0.6
247.12067	0.9
248.12851	0.5
251.12799	1.4
256.13281	1.6
261.07709	0.5
261.10980	0.3
263.09167	1.0
274.14328	0.8
275.12720	3.4
284.12833	0.6
285.11203	0.3
302.13876	1.1
312.12286	0.6
314.13876	0.5
328.15518	0.5
332.15009	0.4
342.17004	0.6
354.13354	0.5
356.14822	0.6
383.14929	0.4
384.18146	1.9
386.19681	0.4
389.21524	0.4
397.15103	1.4
402.19037	0.4
412.17548	2.8
413.17807	0.3
430.18585	100.0
431.18915	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	430.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00896	1.2
53.03944	3.3
55.01861	3.0
57.03432	5.2
61.02939	6.6
64.23077	1.2
69.03436	29.6
71.05013	3.0
73.02911	7.0
81.03419	15.6
83.05000	5.6
83.95547	1.1
85.02908	78.0
87.04468	23.0
91.03966	3.2
97.02332	2.0
97.02903	21.6
99.04457	6.8
101.02414	1.7
101.06012	9.9
102.33613	1.4
109.02876	14.0
115.03938	100.0
115.73129	1.2
116.04271	1.9
120.58887	1.4
127.03918	40.5
133.04979	30.6
133.05931	2.5
137.08090	1.2
145.04962	38.5
162.12752	2.0
163.06038	9.4
179.14334	2.6
206.15417	2.3
207.13870	1.9
208.13322	17.0
210.15022	1.5
224.16406	2.7
241.06995	2.7
250.18022	4.3
259.08124	14.4
268.19083	37.3
269.19427	1.8
274.14511	1.5
277.09167	37.1
278.09457	1.7
302.13989	2.0
359.13376	4.8
377.14420	4.1
395.15384	1.5
398.04608	1.6
430.24402	87.2
431.24762	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	430.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76982	1.2
53.03943	2.3
55.01858	2.3
57.03428	7.0
59.05013	1.8
61.02924	9.6
64.08459	1.3
68.37064	1.2
69.03432	31.5
71.04986	4.0
71.34812	1.3
73.02917	7.9
77.55936	1.4
81.03405	15.0
83.04971	7.4
85.02905	87.2
87.04468	28.9
91.03951	3.3
97.02896	26.5
99.04454	6.4
101.06018	13.0
103.03961	1.5
109.02843	10.4
115.03928	100.0
116.04288	1.5
120.64156	1.4
126.59679	1.3
127.03909	41.1
133.04967	37.7
137.36067	1.6
145.04958	39.3
162.12827	2.3
163.06036	10.4
172.82677	1.7
184.11746	1.3
208.13335	21.2
214.18692	1.4
224.16405	2.9
227.09158	2.5
241.07100	2.8
250.18063	6.7
259.08142	14.6
268.19080	41.9
277.09183	45.7
341.57941	1.8
359.13351	4.0
377.14420	5.5
395.15143	3.2
430.24387	87.0
431.24811	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
56.77416	1.3
57.03445	1.5
62.02388	1.2
67.00670	1.3
69.03420	4.3
71.04982	2.8
71.45851	1.7
81.07050	2.2
83.01339	1.5
84.08130	1.6
85.02906	6.8
88.22874	1.4
91.05478	27.5
94.06512	1.4
97.02887	2.0
105.06987	1.7
107.04942	4.1
115.05434	2.5
117.07017	18.0
119.04958	1.9
119.08546	3.6
120.08036	1.3
127.03919	2.1
128.06204	2.0
129.07001	12.5
131.04881	1.5
131.08540	2.1
132.05711	2.5
132.08047	2.0
134.09532	1.9
141.07005	3.6
143.08533	8.8
145.06456	1.8
145.10107	4.9
147.08049	56.0
148.11206	2.3
150.09164	1.9
153.06976	5.8
155.08513	5.6
157.06480	6.7
157.08667	1.3
158.09627	2.0
159.08110	2.7
160.11244	1.9
162.09126	1.8
169.10101	5.0
171.08054	21.0
171.11630	3.0
172.11235	2.0
173.09607	5.4
174.09134	5.9
175.09848	6.7
175.11235	3.1
179.08504	1.8
185.02098	1.3
188.10762	2.7
197.09486	2.6
200.10684	5.5
204.10188	3.1
215.10680	100.0
216.10924	4.0
228.10333	1.9
228.13799	2.7
233.11732	58.6
234.12000	3.8
245.11739	1.3
246.14883	2.2
254.11919	1.9
256.13309	5.2
274.14377	81.6
275.14648	5.6
284.12784	2.6
302.13870	78.8
303.14227	5.7
311.69525	1.4
384.18118	2.3
398.23026	10.7
405.77838	1.9
412.18515	7.6
430.18497	80.7
431.18857	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03998	0.6
53.58090	0.6
55.01696	0.7
55.01934	2.1
55.05574	1.8
57.03481	1.5
61.03005	1.9
69.03500	4.8
69.07141	4.4
69.19913	3.4
71.05045	1.3
73.02957	1.0
79.05505	3.1
81.03496	1.8
81.07132	2.7
82.06619	0.8
83.01406	0.7
83.05038	1.0
85.02908	16.7
91.04006	0.8
91.05054	1.0
91.05567	3.2
93.07127	1.9
94.06677	1.9
95.05029	1.5
95.08621	0.7
97.02891	5.3
97.06543	4.3
98.22696	1.4
99.04539	0.8
105.07108	1.1
108.08208	1.0
109.02959	2.3
109.06558	0.8
115.03971	0.9
117.07112	0.8
119.05031	2.7
119.08614	0.6
120.08203	0.7
121.06602	0.7
123.04502	2.2
127.03924	4.2
128.06343	0.8
129.07091	0.8
131.08614	0.8
133.06557	0.7
136.11295	1.8
137.05981	18.4
137.09669	0.8
138.06334	0.8
141.07002	0.7
145.05002	3.5
145.06508	1.6
147.04510	0.8
147.08208	0.7
149.06087	0.9
151.07588	1.4
158.07306	1.1
159.08125	1.1
160.05251	0.7
162.09190	0.8
163.07578	0.8
165.05472	4.6
166.12328	1.4
171.08063	1.0
173.06128	1.7
173.09688	1.1
174.09190	1.8
180.08748	1.2
186.06720	1.2
187.11250	1.1
191.07022	23.3
191.10651	0.8
192.07472	0.7
193.08685	0.7
200.10739	1.3
203.10837	0.7
204.07870	1.1
205.08542	0.8
205.12341	1.2
215.10634	4.4
231.10168	1.1
233.11732	100.0
234.12038	4.7
237.16472	0.8
251.12808	7.3
256.13153	0.8
261.16895	0.8
274.11624	1.1
274.14368	10.7
275.12689	0.9
302.13885	7.8
303.14197	0.8
356.14706	1.6
359.14624	1.4
377.15714	1.5
382.24268	0.7
384.21570	0.8
412.17081	2.3
430.18146	22.1
431.18427	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	430.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.01867	1.0
57.03440	2.9
61.02926	3.7
62.57213	0.5
69.03431	13.9
70.58802	0.9
71.04951	2.0
73.02924	2.9
81.03419	5.0
83.33213	0.5
85.02908	22.0
86.03229	0.7
87.04474	4.2
91.03928	1.2
93.10676	0.5
96.08109	0.6
97.02367	0.5
97.02897	8.6
98.22823	0.6
99.04420	2.2
99.17429	0.6
100.70728	0.6
101.02356	0.7
101.05969	0.6
106.06536	2.0
108.08096	1.1
109.02888	2.7
115.03895	1.8
120.08096	1.2
123.99131	0.5
127.03908	4.3
133.04915	0.8
136.11183	0.5
138.12697	0.8
145.04926	2.2
148.11171	1.2
152.06989	0.9
162.12769	5.4
164.14310	1.1
178.08615	0.6
184.13194	0.5
193.10910	0.7
194.11673	0.8
204.17490	2.3
206.15390	1.1
208.13326	38.8
209.13660	1.2
224.16475	4.9
226.14238	0.7
237.63568	0.5
248.16316	0.7
250.18016	12.4
251.18353	0.8
268.19070	91.0
269.19385	5.3
277.09183	1.0
358.12833	0.6
430.24390	100.0
431.24704	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	430.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57740	0.3
55.01869	0.6
55.05497	0.8
56.05039	0.4
56.96579	0.3
58.06578	0.3
67.05497	1.3
68.05025	0.3
69.03403	0.7
69.07052	0.9
69.77938	0.6
69.78262	0.4
70.06589	2.0
71.04980	0.7
72.08144	0.4
79.05476	1.6
80.05001	0.5
81.07046	1.6
82.06583	0.9
84.08135	2.1
86.09711	1.7
91.05483	0.9
93.07040	1.7
94.06561	1.1
95.08595	2.1
96.08121	1.4
97.06528	0.5
97.10140	0.3
98.09713	0.5
98.23387	0.5
98.97559	2.1
99.04456	1.5
105.07025	1.3
107.08594	1.6
108.08083	0.9
109.08917	0.5
109.10140	0.9
110.09664	1.6
112.07576	0.4
114.09141	0.5
116.98594	0.7
119.08595	0.9
121.10130	0.6
122.09663	1.6
124.11203	0.7
125.05981	0.8
126.09164	0.4
131.08618	0.8
133.10103	0.9
134.09628	1.2
134.99675	0.4
135.11690	0.5
136.11218	3.7
138.09106	0.5
142.08633	1.1
148.11214	1.1
150.09134	1.0
152.10710	1.6
154.12292	0.7
159.11647	0.4
160.11249	0.4
162.12836	0.7
166.12230	1.1
168.10233	0.5
170.11760	0.4
171.11461	0.4
178.12250	0.4
180.13828	0.6
182.11758	8.2
184.13322	6.1
200.12782	4.5
222.14915	0.4
234.14917	0.9
236.16467	0.8
237.00650	0.4
252.15918	0.5
254.17531	0.6
255.01794	1.1
262.17969	0.9
280.18948	0.6
320.22165	1.4
338.17484	0.4
338.23181	1.0
376.20212	0.5
376.24802	7.0
377.25427	0.4
389.05286	0.4
394.19928	2.1
394.25775	12.1
395.26077	1.0
407.06555	1.1
412.20938	6.3
412.26837	22.9
413.21341	0.8
413.27267	1.8
430.22476	4.8
430.27917	100.0
431.22662	0.5
431.28241	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	430.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83639	0.4
53.03945	0.9
55.01873	1.0
55.05509	1.8
56.05037	0.6
57.03440	0.8
58.54449	0.4
59.05000	0.9
64.88005	0.4
65.03928	0.5
67.05511	4.5
69.03441	2.2
69.07076	2.0
70.06582	1.3
71.04630	0.6
71.04993	5.5
71.44907	0.6
73.02898	0.4
74.38593	0.4
77.71834	0.4
79.05481	3.2
80.05022	4.9
81.03408	0.9
81.07052	5.1
81.22702	0.4
82.06596	0.9
83.04967	1.1
83.08589	0.4
85.02888	3.1
85.06539	3.0
86.09684	0.5
87.04472	0.9
91.05482	3.7
93.07050	5.0
94.06569	1.9
95.04977	4.3
95.08612	8.3
96.04503	0.5
96.08134	1.4
97.02898	0.9
97.06546	2.2
97.10176	0.9
98.06049	2.2
98.97607	1.0
99.04465	4.8
103.75336	0.4
105.07035	4.8
107.04955	0.9
107.08610	4.4
108.08135	1.3
109.06520	1.7
109.10167	1.8
111.08087	1.0
113.02356	0.6
113.06015	1.7
114.05533	1.0
115.03961	0.7
116.07076	0.5
117.05531	1.0
117.07040	2.2
119.08578	4.3
120.08131	0.7
121.06494	1.3
121.10172	2.3
122.09678	0.4
123.04450	1.3
123.08059	1.7
123.11698	0.6
126.09156	1.3
127.03930	1.7
127.07566	1.7
129.06995	1.0
131.07524	0.4
131.08566	2.4
133.10153	3.4
134.09666	0.6
135.04465	0.4
135.08047	0.8
135.11688	1.9
136.07552	1.0
137.05972	2.1
137.09607	0.8
138.09146	2.1
140.10678	1.2
141.05534	0.9
141.09047	0.6
142.07782	0.6
143.08582	1.2
145.04913	1.2
145.10150	2.3
147.08023	1.0
147.11690	1.7
148.07556	0.6
148.11240	0.5
149.06000	0.5
149.09569	0.5
149.13257	0.5
151.07533	1.4
154.08644	0.9
155.07019	2.4
155.08437	0.7
156.10255	0.8
156.50357	0.4
157.10147	1.3
159.11720	1.5
160.11224	0.7
161.09645	0.8
161.13225	1.3
163.11115	0.5
166.08641	0.6
166.12296	0.8
171.11719	1.1
173.13225	1.0
174.86292	0.4
175.11261	0.6
184.09697	1.6
186.11177	0.7
189.09114	0.9
189.12755	0.6
191.10641	0.8
197.13278	1.1
199.14816	0.6
204.10310	0.5
207.10173	0.8
208.16937	0.4
215.10669	0.5
215.14369	1.2
216.10165	0.9
217.15742	0.5
220.09764	0.9
231.91655	0.4
232.17142	0.5
233.11749	1.9
238.18047	0.8
244.13297	0.7
245.14224	0.6
258.82925	0.4
258.91849	0.4
274.14423	3.1
274.87518	0.4
276.12375	2.3
286.14169	0.8
290.21091	0.8
302.13879	1.8
308.22214	1.7
314.13919	1.7
315.14615	1.2
316.15686	0.5
322.23727	1.6
326.23218	5.3
327.23544	0.5
332.14981	4.3
348.25363	1.7
359.53906	0.5
366.26410	14.9
367.26660	1.2
384.18106	1.8
384.27438	7.2
385.27917	0.7
386.05817	0.5
394.25851	1.7
412.26926	30.7
413.27307	3.2
430.18811	27.1
430.27966	100.0
431.18759	3.1
431.28299	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	430.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76509	0.5
59.84702	0.5
69.77729	1.5
78.84028	0.6
84.58229	0.6
86.75745	0.5
92.56078	0.5
94.93014	100.0
97.31837	0.5
98.23404	0.9
124.03961	1.3
130.49934	0.5
136.93985	0.5
142.10309	0.6
143.98570	0.6
162.95656	0.6
184.88077	0.5
190.95134	1.0
218.92249	2.4
234.94066	1.3
244.90184	2.4
246.91759	6.7
256.92343	0.7
268.98340	1.1
272.89636	84.7
273.89868	1.4
274.14191	0.5
322.12839	0.6
387.02853	0.5
391.16052	0.6
431.01468	18.9
432.01990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.9183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98632	0.6
55.81624	0.7
56.86222	0.6
57.08736	0.6
58.37043	0.6
58.50558	0.7
62.07320	0.7
62.89016	0.7
70.86893	0.6
88.46341	0.7
89.12529	0.6
94.93015	100.0
116.72118	0.6
124.03978	0.9
126.29243	0.7
162.95477	0.7
218.92233	1.9
230.92078	0.7
234.94032	1.3
244.90283	1.5
246.91772	6.1
256.92221	0.8
268.98248	2.2
272.89636	85.5
273.90060	1.3
431.01425	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05498	0.3
56.05039	0.3
58.06600	2.8
60.04499	0.2
67.05505	0.2
69.03429	1.0
70.03751	0.4
70.06594	1.4
71.03816	0.2
72.08153	0.9
74.13405	0.2
81.07053	0.2
84.08144	100.0
85.02902	0.3
85.08470	1.5
86.09699	1.1
91.05486	0.2
109.02946	0.2
111.08089	0.5
112.08437	0.5
113.08710	0.2
115.03919	0.2
117.07043	0.4
119.04934	0.3
126.10007	0.2
127.03912	0.2
127.12318	46.1
128.12679	0.8
129.10286	0.2
135.08090	0.3
137.05981	4.0
139.07483	0.4
140.07898	0.4
141.08046	0.2
147.04439	1.2
149.05960	0.4
151.03908	1.2
159.10521	0.2
163.03969	0.2
163.07559	0.9
165.05484	0.2
175.07521	0.3
177.05565	0.2
179.07130	0.2
191.07024	3.7
193.08667	1.2
194.08461	0.2
220.86320	0.2
222.11301	1.2
236.12798	0.3
242.33858	0.2
265.15384	1.0
296.33139	0.2
299.07202	0.3
395.24759	0.2
412.25739	0.4
413.26218	1.2
430.27090	1.5
431.11401	0.5
431.21603	6.3
431.27243	8.4
432.21982	0.3
432.27487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76485	0.2
53.03954	0.2
54.50730	0.2
55.05507	0.4
57.11340	0.2
58.06604	3.1
69.03436	0.7
69.23444	0.5
69.23847	0.9
70.06585	1.7
72.08160	1.4
73.29349	0.2
79.05458	0.4
81.07088	0.3
84.08144	100.0
85.02904	0.7
85.08464	1.3
86.09714	1.8
109.02876	0.4
112.08421	0.2
115.03954	0.7
119.04985	0.3
119.12569	0.3
121.06502	0.4
127.03954	0.4
127.12318	49.6
128.12660	1.0
129.10258	0.3
136.06230	0.4
137.05968	4.1
139.07523	0.3
145.04974	0.5
145.06464	0.2
147.04431	1.3
149.05914	0.4
151.03918	1.3
163.07568	0.8
175.07578	0.3
190.45277	0.2
191.07040	3.1
193.08606	1.0
213.16003	0.3
222.11224	1.0
227.90302	0.2
248.12936	0.3
265.15485	1.2
299.07297	1.2
345.86279	0.2
370.16489	0.3
413.26178	0.6
430.26920	0.8
431.12338	1.4
431.21515	4.7
431.27322	4.0
438.31277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.6
56.53130	0.4
57.05812	1.0
60.04528	19.6
63.37055	0.4
69.36707	1.7
69.37112	0.8
72.08157	100.0
73.08482	0.9
77.24537	0.4
86.06068	6.0
86.09704	3.0
87.05598	1.8
91.05481	0.4
94.06570	0.7
96.08125	1.1
99.86144	0.4
105.07050	0.6
113.10783	1.0
114.05534	5.8
114.08486	0.5
114.09128	2.4
116.06248	0.4
124.07616	1.8
132.10251	1.4
134.09685	0.5
141.06592	4.6
141.10226	2.5
142.42540	0.4
150.09177	0.9
153.74706	0.4
155.08151	0.5
158.09444	0.5
159.11299	15.2
169.09744	1.1
183.07661	8.9
184.08038	0.4
184.11336	0.6
187.10770	6.7
199.59303	0.4
199.67529	0.4
201.08733	7.6
202.12352	0.9
212.14087	1.0
230.15363	0.7
231.17001	5.1
231.26457	0.4
240.13759	0.6
250.14363	2.2
254.14996	11.4
255.15497	0.5
258.14951	1.5
272.16071	6.8
274.14426	1.8
275.14761	1.8
276.15958	27.4
282.14487	20.8
283.14630	1.1
285.12784	0.5
296.17255	0.4
300.15533	5.9
302.13885	1.4
303.14282	1.7
304.15411	12.2
318.20001	0.7
413.24173	0.4
414.19342	0.9
431.18747	3.4
432.20154	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	431.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79736	0.8
55.05510	7.3
56.89394	0.7
57.07076	21.0
58.68851	0.8
60.70960	0.8
65.03898	0.8
67.01867	2.3
67.05492	4.3
69.07064	8.1
71.08269	1.2
71.08630	17.6
71.09611	1.1
73.30952	0.7
79.05483	1.6
81.07060	9.0
83.01323	1.1
83.04958	2.2
83.08616	5.2
85.10176	6.2
91.05460	3.9
93.07042	7.0
95.08602	8.3
97.10154	3.7
99.11736	1.5
99.61053	0.8
101.10235	0.9
105.07002	2.7
109.06527	5.4
109.10138	3.5
111.08100	1.0
111.11697	1.2
119.08557	2.8
121.06448	2.0
123.08040	4.4
123.11700	1.2
125.13319	0.8
126.09580	0.7
131.08505	1.5
133.06458	1.5
133.10155	1.2
135.08051	2.4
137.05966	18.6
137.09595	1.3
137.13237	1.2
138.06776	1.0
139.07547	5.2
143.08505	0.9
147.08063	4.9
149.05974	3.5
151.07545	35.3
151.14723	0.8
157.10112	1.7
159.08055	3.0
161.05983	4.9
161.09587	3.0
163.07582	1.2
165.05492	8.8
165.09129	11.4
167.07036	100.0
168.07370	2.1
171.11539	1.1
173.09586	1.4
175.07527	4.7
175.11209	1.7
177.09135	5.6
179.06990	4.5
179.10661	3.6
181.08643	4.3
188.08313	1.8
189.09099	8.1
191.07074	2.4
191.10666	2.2
192.07837	1.5
193.08583	9.3
195.10068	2.1
202.09767	1.5
203.10680	5.9
205.12292	2.4
206.09360	0.9
207.10164	14.3
209.11684	1.0
217.12247	4.2
221.11719	5.0
231.13878	1.8
235.13301	3.8
249.14946	1.3
263.16577	1.1
277.18060	1.9
291.19589	1.3
305.21094	1.8
319.22714	1.4
332.43988	0.9
375.28934	1.3
403.35724	3.3
413.34012	7.1
425.65540	0.8
431.35205	65.0
432.35538	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	432.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
54.28750	1.0
55.01873	5.1
57.03432	5.5
61.02925	5.3
66.20724	0.9
69.03428	19.4
69.39222	3.6
69.39628	2.3
71.05009	1.4
73.02901	5.6
80.05011	1.9
81.03421	11.7
81.07057	1.7
85.02908	68.0
87.00838	1.3
87.04465	15.7
91.03964	5.9
91.05457	1.8
93.07014	1.5
95.04978	2.2
95.22135	1.1
96.08064	1.0
96.29874	1.0
97.02897	21.4
97.06544	1.8
98.23373	1.5
99.04475	5.6
100.18794	1.0
103.03943	5.2
105.03384	9.7
105.07011	3.4
107.04941	1.3
107.08550	1.4
108.07984	1.0
108.10448	1.1
109.02878	11.0
115.03931	57.5
119.08598	1.9
121.06497	3.3
122.09668	2.2
124.07623	1.4
127.03920	33.3
130.06509	1.1
131.04910	4.7
131.08514	1.5
132.08090	1.4
133.04979	20.1
133.06500	1.5
135.08011	1.8
138.09132	3.6
140.01418	1.0
145.04962	43.4
148.11246	1.1
149.06004	5.3
149.09598	1.7
150.09135	4.5
156.04811	1.1
156.10201	10.2
157.04958	1.6
159.08070	1.2
162.09145	1.3
163.06023	6.3
163.07431	2.3
167.07034	7.1
168.10211	1.6
170.09561	1.3
175.05969	1.6
182.46124	1.1
184.11237	2.4
187.07568	1.4
188.10690	2.7
201.09177	1.2
202.12251	3.2
205.08531	2.8
208.13272	1.9
212.14359	1.8
217.07008	3.1
229.08611	3.5
230.15398	4.4
240.13885	2.5
247.09669	8.1
250.14330	2.0
256.13422	1.6
258.14908	7.6
259.08063	8.0
260.12842	1.1
265.10687	1.5
274.14365	5.1
276.15952	100.0
277.09210	9.7
277.16266	2.7
302.13861	3.6
304.15414	50.7
305.15823	2.5
338.17279	1.0
379.14032	2.5
386.11700	2.9
414.19208	10.1
432.20105	94.6
433.20520	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	432.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03430	1.5
61.02887	0.5
62.73886	0.5
69.03432	4.3
70.08720	1.2
72.08147	0.8
73.02908	0.7
81.03436	0.8
82.83109	0.4
85.02901	13.1
85.43027	0.5
86.10816	0.5
90.05553	100.0
91.05879	1.0
97.02895	5.8
99.04465	0.9
101.02376	0.8
103.01395	0.5
104.10738	1.1
109.02901	0.9
114.94901	0.5
118.13177	0.5
127.03912	9.9
145.04971	9.0
150.64070	0.6
163.05983	2.3
218.81462	0.5
258.10974	1.1
261.83557	0.5
434.51843	0.5
457.03043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
55.01867	4.3
57.03429	4.7
61.02932	7.5
69.03436	27.4
69.90496	2.6
69.90823	1.8
71.05005	2.9
73.02918	6.4
81.03425	17.0
85.02911	91.6
87.04474	22.6
91.03966	6.3
93.07041	2.1
97.02900	23.9
98.22771	1.6
99.04462	5.3
102.06255	1.3
103.03957	8.2
109.02911	13.8
115.03938	100.0
116.04278	1.9
118.81879	1.4
121.06514	16.3
127.03922	36.6
128.04254	1.5
131.08577	1.9
131.29463	1.3
133.04976	28.9
141.68980	1.4
145.04968	46.6
156.06717	1.7
163.06027	8.8
175.06062	1.6
177.67059	1.3
179.81696	1.8
187.07626	1.8
217.07074	3.0
247.09750	3.5
251.16690	1.8
259.08118	13.3
260.12912	4.2
276.16022	4.0
277.09222	23.3
278.17453	2.3
288.15961	3.4
304.15567	1.8
316.15448	4.8
336.93115	1.6
340.15408	3.3
414.19141	34.6
415.19598	3.0
432.20172	50.4
433.20355	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	432.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01870	4.6
57.03430	6.7
61.02925	6.2
68.64221	1.4
69.03431	29.7
70.04134	4.4
71.05006	2.2
73.02916	9.4
79.21041	1.6
81.03418	19.1
84.08146	1.9
85.02909	89.7
87.04477	23.3
91.03967	5.4
97.02898	26.1
99.04460	5.9
102.40678	1.5
103.03963	8.2
105.07053	1.5
109.02885	12.7
115.03935	100.0
116.04259	2.2
121.06510	6.9
122.09641	1.8
125.11586	1.6
127.03913	39.2
133.04979	40.3
134.09674	2.2
145.04961	56.2
163.06020	10.6
175.05965	2.2
180.10187	3.4
181.04909	3.7
182.11766	14.8
187.07536	2.5
205.08667	2.6
217.07106	4.9
224.76833	1.7
226.86490	1.7
229.08676	2.6
247.09702	4.2
259.08090	10.9
277.09174	27.7
328.02371	1.9
358.01767	1.9
432.20206	39.3
432.44852	1.5
433.20294	3.0
446.31036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2016
Annotation	Oxyprotostemonine
Peak:m/z	Relative Intensity
55.01873	0.5
71.04969	0.5
71.05347	0.4
79.05472	0.8
80.05013	1.1
80.41463	0.4
81.07042	0.7
83.04934	0.5
85.02879	0.8
87.04453	0.6
91.05483	0.9
93.07027	0.5
94.06517	0.5
95.08546	0.5
99.04449	0.7
101.06004	0.5
105.07019	1.7
106.06493	0.4
107.08564	0.8
109.02878	0.4
109.06493	0.5
115.03945	0.5
117.06986	0.6
119.08548	0.9
120.08098	0.6
122.09644	0.8
122.57234	0.4
124.07581	0.8
124.75587	0.4
125.05986	0.8
127.03871	0.8
129.06966	0.8
131.07471	0.3
131.08553	1.4
132.08075	1.2
133.04881	0.5
134.09654	1.0
140.07173	0.4
143.08562	0.5
144.00496	0.4
145.04887	0.6
146.09634	0.6
148.07549	0.6
150.09146	3.0
155.08502	0.4
155.80408	0.4
156.08089	0.4
157.10170	0.8
157.98048	0.4
158.09627	1.5
160.11220	0.7
161.05872	0.4
162.09149	0.7
168.10181	0.7
170.09642	1.1
173.09631	0.5
174.12761	0.9
175.09933	0.6
176.10703	1.7
177.11363	0.6
182.11757	1.1
184.11256	2.2
185.11745	0.5
188.10704	1.6
200.10728	0.5
202.12262	3.0
206.29903	0.5
208.13274	0.4
212.14438	2.4
222.14772	0.4
230.11749	0.5
230.15396	2.8
232.13353	1.7
240.13768	1.4
248.16362	0.7
250.11972	0.8
250.14378	8.1
251.14694	0.5
256.13379	1.3
258.14893	6.4
259.08084	0.5
261.45160	0.5
274.14365	4.7
275.14691	0.4
276.15942	100.0
277.16275	6.0
302.13919	3.7
304.15414	45.9
305.15753	2.3
370.19775	0.5
388.21005	0.5
414.19330	1.2
432.20148	62.9
433.20486	6.5
433.37827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2022
Annotation	Oxymaistemonine
Peak:m/z	Relative Intensity
53.03923	1.0
55.01872	2.1
55.02064	0.4
56.05014	0.7
56.16961	0.4
57.03400	1.7
57.88369	0.4
61.02897	1.5
61.18094	0.5
64.21894	0.4
67.05467	0.7
69.03436	7.9
69.07037	0.5
69.31467	2.4
70.06584	0.6
71.04961	1.0
72.72744	0.4
73.02871	1.4
79.05463	1.0
80.04987	0.9
81.03421	5.6
81.07062	0.8
83.01299	0.5
83.04974	0.8
85.02909	20.5
87.03984	0.5
87.04466	6.3
91.03927	1.0
91.05475	2.4
93.06998	1.9
94.06543	0.5
95.04922	0.8
95.08554	0.7
97.02891	4.9
97.06519	1.0
98.06046	0.7
99.04441	2.7
101.02351	0.6
103.03907	1.6
103.05445	0.6
105.06992	1.3
107.08532	0.5
108.08099	1.1
109.02869	3.9
109.06494	0.6
111.08109	0.6
113.05994	0.6
115.03936	25.0
116.04170	0.5
117.07012	0.8
118.06487	0.8
119.08536	1.1
120.08054	1.4
121.06509	13.8
122.09596	1.7
123.08062	0.7
124.07537	0.5
125.05961	1.8
127.03067	0.7
127.03925	11.3
128.06088	0.5
131.08565	4.1
132.08063	1.0
133.04967	7.5
133.06419	0.5
133.10066	1.2
134.09612	1.0
136.11150	0.5
137.06010	0.5
141.07001	0.5
143.08453	0.9
145.04965	12.4
145.10074	0.5
146.09642	0.7
148.07556	0.7
148.11154	0.5
149.05930	0.9
149.08655	0.5
149.09641	5.8
150.09082	1.7
151.07497	0.5
153.05539	0.5
153.76640	0.4
156.10155	0.7
157.04951	0.9
158.09599	0.7
159.08022	1.0
160.11227	0.7
162.09090	0.5
163.06024	3.3
163.07236	0.7
164.06940	0.4
170.09653	0.9
172.11201	1.0
173.09547	0.8
174.09157	0.7
175.07495	0.6
176.10709	0.5
179.07071	0.7
182.11723	1.7
184.11258	1.0
185.11977	0.7
186.09096	0.6
187.07495	1.0
188.10648	1.4
189.09225	0.6
191.08150	1.5
198.09053	0.6
200.10715	1.0
202.12297	0.7
204.13896	1.1
212.10661	0.6
213.09019	0.5
214.12222	1.3
216.10164	1.0
217.07095	0.7
218.11778	0.8
220.13341	0.7
224.10738	0.5
226.12306	0.9
228.10324	0.5
228.13832	1.0
229.08646	0.5
230.11818	0.7
230.15393	0.5
232.09702	0.7
232.13254	1.4
234.14946	0.5
238.12192	0.8
240.13718	0.5
242.11731	1.6
244.13406	1.0
247.09651	1.4
248.12746	0.7
254.11708	0.9
256.13278	0.7
258.14899	1.3
259.08105	3.7
260.12830	5.2
260.15482	0.6
260.16550	0.6
268.13184	0.5
270.14877	0.8
272.12833	1.0
274.14328	1.2
276.12869	0.9
276.15948	9.6
277.09189	6.6
277.16315	0.6
278.17453	2.9
284.12796	0.8
286.14340	1.3
287.05350	0.5
288.15884	5.2
289.11829	0.5
298.14496	1.1
300.12274	0.6
302.13928	0.7
304.15451	4.6
305.16284	0.6
306.17224	0.5
307.12888	1.0
308.16507	0.8
310.17761	0.8
312.15967	0.7
314.13892	0.6
316.15408	6.7
317.15863	0.6
320.16357	0.6
326.13873	1.0
326.17383	0.9
328.15329	0.6
334.16544	3.5
338.17477	2.5
340.15475	4.8
342.20868	0.6
354.17001	1.6
356.14819	0.6
358.16504	2.3
358.20126	2.7
359.17065	1.4
363.62680	0.5
368.18579	0.6
370.20566	0.7
374.15982	0.5
382.16440	0.6
386.19794	3.4
396.17972	1.3
408.71768	0.5
414.19122	67.9
415.15369	0.4
415.19617	4.8
432.20190	100.0
433.20578	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	432.202
Annotation	Oxyprotostemonine
Peak:m/z	Relative Intensity
55.01864	0.7
67.05492	0.5
69.81297	0.9
69.81641	0.3
70.06566	0.3
74.01152	0.3
79.05468	0.5
80.04996	1.0
80.72777	0.3
81.03403	0.4
81.07056	0.5
82.06574	0.3
85.02900	2.4
87.04476	0.3
90.96622	0.2
91.05463	1.0
93.06978	0.4
94.06580	0.4
95.04921	0.4
95.08595	0.5
96.08105	0.5
97.02873	0.9
97.06531	0.4
98.06021	0.3
98.23492	0.4
99.04443	0.8
103.03878	0.3
104.81538	0.3
105.01833	0.3
105.07040	1.9
107.08593	0.4
108.08028	0.6
109.02884	0.4
109.06522	0.6
110.06036	0.4
110.09637	0.5
112.07610	0.3
115.03902	1.1
117.07005	0.6
118.06496	0.3
119.08532	0.9
120.08074	0.9
121.06505	0.4
121.08913	0.4
122.09675	0.8
124.07556	0.5
125.05946	0.4
126.09106	0.4
127.03905	1.2
128.07101	0.5
129.06998	0.5
130.06544	0.4
131.08534	0.5
132.08054	1.0
133.04953	0.5
133.06447	0.5
134.09642	0.6
138.09097	1.2
143.08521	0.4
144.08051	0.6
145.05005	1.4
145.10091	0.4
146.09636	0.7
148.07559	0.9
148.11150	0.5
150.09155	2.2
152.10674	0.3
155.08578	0.5
156.08112	0.4
156.10205	2.8
157.10123	0.8
158.09718	1.5
160.11169	0.8
162.09120	0.5
163.05977	0.3
166.08632	0.6
168.10130	0.4
170.09627	0.8
171.10419	0.4
172.11194	0.4
174.09120	0.4
174.12770	0.7
175.09853	0.5
176.10677	1.0
183.10301	0.3
184.09715	0.6
184.11223	2.8
185.11845	0.4
185.13321	0.5
186.09076	0.5
186.12895	0.3
188.10719	1.9
190.12286	0.4
200.10664	0.4
202.12263	3.0
208.13353	0.4
212.14313	1.6
213.12659	0.3
214.12273	0.4
220.13330	0.3
228.13820	0.3
230.11884	0.5
230.15334	3.2
232.13301	0.7
235.09619	0.4
240.13773	1.4
248.16461	1.0
256.13290	1.8
258.14905	6.7
274.11389	0.3
274.14362	6.7
276.15952	100.0
277.16278	4.7
284.16711	0.3
288.16159	0.4
302.13907	3.4
303.14337	0.4
304.15430	46.2
304.75299	0.3
305.15918	2.4
316.15479	0.5
388.20975	0.3
414.19141	2.0
432.20178	53.3
433.20535	4.0
447.14737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.202
Annotation	9a-O-Methylstemoenonine
Peak:m/z	Relative Intensity
55.33867	0.4
67.05638	0.9
69.03185	1.6
69.03602	3.7
69.07816	3.1
70.06715	0.5
71.05138	0.5
79.05251	0.5
79.05624	0.8
80.05199	1.8
81.07214	0.5
82.06214	1.9
82.06767	6.6
83.01044	0.6
83.01506	0.9
83.06999	2.4
83.07547	8.2
86.06194	0.5
91.05618	0.8
93.07178	0.6
94.06199	0.4
94.06700	0.8
95.08760	0.6
96.08263	0.8
99.04588	0.9
105.07183	0.8
106.05984	0.9
106.06761	3.4
107.07520	0.5
108.07516	1.4
108.08334	8.6
109.06716	0.7
109.09100	1.8
110.09884	1.2
111.08263	0.7
118.06667	0.6
120.08279	1.1
121.06699	1.1
122.09892	1.5
125.06228	1.1
129.07150	0.7
131.07568	0.4
132.08273	1.4
133.09056	1.0
134.06218	0.5
134.09871	2.4
135.04604	0.5
135.07024	2.7
136.07632	2.3
136.11359	0.4
137.06104	0.5
137.12106	0.5
138.09361	1.2
144.08279	0.5
146.09805	0.6
148.07755	0.7
148.11372	0.7
149.06140	0.9
149.08397	2.5
150.09216	0.8
155.07224	1.3
158.09839	1.0
160.11208	4.3
161.08501	0.9
161.09758	0.5
162.07013	1.4
162.12938	0.9
165.05653	0.7
165.09254	0.5
167.07201	0.7
172.11398	0.4
173.09792	0.5
174.09340	0.6
175.07713	0.8
179.07159	0.4
180.10365	0.8
181.11200	0.5
182.11871	0.8
183.06761	1.7
184.08099	0.7
184.09901	3.7
188.10696	2.2
189.09297	0.7
198.11421	0.6
198.15138	1.4
205.08606	0.5
207.06668	0.5
208.13397	0.9
218.11845	0.5
221.08150	0.6
232.13477	0.9
233.08063	6.4
238.12344	0.4
240.10243	1.0
246.14903	2.3
247.09630	4.0
248.10498	0.6
249.11247	2.7
250.14470	1.0
250.18292	0.8
258.11243	6.4
258.14120	0.5
258.15060	0.5
268.09644	3.2
270.15054	0.5
276.15912	4.5
283.12137	0.5
284.12967	0.5
286.10782	0.5
288.16116	1.3
298.14444	0.6
301.13062	12.3
302.13766	1.2
304.15372	1.8
316.15442	83.9
317.15698	4.4
334.20020	2.0
344.18552	3.8
372.17850	0.4
374.19724	0.8
400.17245	1.3
414.19116	4.3
415.19537	1.7
432.19781	100.0
433.20197	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	432.2023
Annotation	Oxymaistemonine
Peak:m/z	Relative Intensity
68.04958	0.7
69.03341	1.7
69.03661	0.6
70.73188	1.0
71.04935	1.4
81.25287	0.6
92.32286	0.6
93.06947	1.0
94.06502	0.8
95.04873	0.8
99.04338	2.3
106.06415	1.2
120.08025	0.9
125.05899	0.8
132.08008	0.9
134.09666	4.3
135.09045	0.6
136.11174	1.3
143.08415	0.7
148.10999	0.8
150.09103	0.9
158.09558	1.0
160.11076	1.3
162.12799	6.9
164.10678	1.2
170.09613	1.0
171.07945	0.7
172.11087	1.2
174.12834	4.6
176.10651	1.8
184.11035	0.6
186.12624	2.8
188.10561	2.4
188.14326	1.3
190.12283	7.9
191.94241	0.7
198.12808	1.3
200.10614	2.7
200.14230	2.4
201.11301	0.9
202.12193	1.8
210.12677	1.3
212.10837	0.7
212.14206	0.8
214.12259	1.2
216.10123	0.7
216.13843	2.9
218.11688	1.9
222.12843	0.8
226.12115	2.3
228.10133	0.9
228.13864	3.7
229.10774	0.6
230.11716	1.3
232.13216	1.7
238.12152	2.6
240.10019	0.7
240.13737	1.3
242.15584	0.6
244.13252	1.1
248.12601	1.0
252.13953	0.9
254.11688	2.2
256.13318	4.7
258.14874	1.0
260.16483	1.1
260.23688	0.7
266.11737	1.3
268.13245	1.8
269.14050	2.5
270.14804	1.1
272.12958	1.3
272.16470	2.6
276.15533	0.9
282.11487	0.8
282.14783	1.1
288.15939	5.2
289.16638	3.3
298.14429	0.9
298.17816	1.0
300.12256	4.5
300.15915	4.2
302.14108	0.9
302.17825	0.7
304.15329	3.5
305.16241	7.5
310.17789	0.9
312.09793	1.4
312.15823	1.4
314.17474	0.7
316.15369	1.0
326.17401	1.7
328.15512	3.3
330.20541	1.5
338.13812	1.0
338.17444	1.4
340.15302	1.5
342.16898	1.2
344.15005	0.7
354.16882	1.8
355.17706	1.2
358.20190	1.3
368.18564	4.1
370.20032	1.0
382.16623	1.5
384.18085	4.3
386.19662	8.7
387.20004	0.8
402.19150	8.6
404.20657	4.5
414.19119	92.4
415.19449	6.4
432.20193	100.0
433.16214	2.4
433.21194	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	432.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.0
70.06651	1.1
79.05548	0.9
80.05056	1.3
83.05044	0.8
84.08192	1.2
91.05519	1.1
96.08146	0.8
103.05526	0.6
105.07111	2.0
105.33697	0.8
106.06631	0.7
107.08639	0.9
110.05074	0.6
110.09735	0.8
117.07093	1.0
119.08614	1.2
120.08155	1.4
122.09662	1.0
124.07607	1.0
125.06055	1.8
132.08133	1.5
134.09636	1.3
144.08073	1.3
146.09708	0.9
148.07622	1.1
150.09134	3.2
157.10164	0.9
158.09656	3.4
160.11295	0.7
162.09172	1.3
170.09680	0.8
175.09996	0.9
176.10675	4.3
182.11772	1.7
184.11345	1.6
186.12813	1.8
188.10782	1.7
202.12297	3.3
204.13902	0.6
212.14421	2.9
214.12404	1.0
220.13367	0.7
222.14787	3.8
230.15385	3.5
232.13278	6.3
240.13831	1.4
248.16507	1.1
250.14384	49.2
251.14809	3.3
256.13324	1.2
258.14920	6.3
262.14792	0.7
274.14352	6.0
276.15939	100.0
277.16275	6.5
302.13837	2.8
304.15411	42.5
305.15717	3.3
432.19910	77.0
433.20331	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	432.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21100	0.4
53.86537	0.4
55.01868	1.5
62.00991	0.4
67.05513	0.4
69.03426	0.9
71.04988	1.6
78.12134	0.4
79.05493	0.5
80.05028	1.0
80.54465	0.4
83.01349	1.1
83.04975	0.5
91.05489	0.8
93.05762	0.5
93.07050	0.6
94.06573	0.5
95.04974	0.7
97.06517	0.6
99.04453	1.3
105.07001	0.5
106.06546	0.6
108.08126	0.8
109.06506	0.6
117.07056	0.5
119.08544	0.6
120.08118	0.9
122.09673	0.9
125.05986	0.7
127.03864	0.5
129.06963	0.8
131.08597	0.7
132.08104	1.6
134.09639	5.0
143.08563	0.5
144.08078	1.1
145.06430	0.9
146.09669	1.2
148.07671	0.7
148.11237	0.7
150.09160	1.3
153.05534	0.5
155.03404	0.4
157.08855	0.5
158.09685	3.3
159.08080	0.6
160.07591	0.8
160.11220	3.7
162.09154	1.4
162.12764	0.4
168.10234	0.7
170.09628	1.0
172.11189	4.1
173.11978	0.7
174.09142	1.0
178.12305	0.7
178.75769	0.4
180.10158	0.6
183.06595	0.9
184.11285	1.2
186.09181	0.6
186.12825	1.4
188.10724	2.4
189.11217	0.5
190.12305	0.7
192.10248	0.8
196.11224	0.6
197.12048	0.5
198.09236	1.1
198.12755	0.5
200.10750	1.3
201.11461	0.5
202.12213	0.8
206.11705	1.1
212.10663	0.9
214.12305	2.4
216.10121	0.7
218.11766	1.4
220.13379	0.7
221.07951	0.4
228.13913	0.5
230.11812	0.6
232.13290	4.7
233.14085	1.1
234.14836	1.1
236.10713	0.6
238.12259	1.0
240.13853	1.2
242.15475	0.9
244.13474	0.5
247.09703	0.6
250.12186	0.7
250.14348	2.7
254.11853	0.9
256.13248	0.9
258.14871	1.4
260.12869	1.2
260.16461	1.4
266.11755	0.8
267.13000	0.5
268.13367	0.7
270.14844	1.2
271.15668	1.6
272.12811	0.9
272.16464	1.0
274.14536	0.7
276.16019	1.3
280.13272	0.5
282.11349	0.6
282.14874	0.7
286.14462	2.7
287.15176	2.4
288.15897	3.9
298.14410	0.8
302.13770	0.5
304.15402	2.8
305.16193	1.8
316.15469	1.1
322.14313	0.6
338.17545	1.7
340.15491	2.8
353.16498	0.5
354.17065	1.0
358.16586	2.4
368.18646	0.5
378.16776	0.5
386.19540	1.8
388.21332	0.7
396.18127	4.4
404.20633	0.7
414.19070	26.1
415.19449	1.5
432.20157	100.0
433.20407	8.4
438.28024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.202
Annotation	Oxymaistemonine
Peak:m/z	Relative Intensity
52.97307	0.3
55.01877	0.7
56.05042	0.3
56.30286	0.3
67.05521	0.3
69.03433	0.7
71.04991	1.6
71.21275	0.4
79.05502	0.4
80.05015	0.8
82.06599	0.4
83.01325	0.7
83.04954	0.4
89.47923	0.3
91.05488	0.8
93.07035	0.6
94.06561	0.6
97.06530	0.5
97.80749	0.3
99.04456	1.1
105.07044	0.6
106.06528	0.9
108.08110	0.6
115.05485	0.3
117.06976	0.3
118.06540	0.6
119.08624	0.4
120.08106	0.6
121.06495	0.5
122.09656	0.6
124.07586	0.3
125.05951	0.7
128.06213	0.5
128.10757	0.3
129.07008	0.4
130.06529	0.4
131.07298	0.3
131.08559	0.7
132.08104	1.3
133.06482	0.5
133.08820	0.4
134.09650	5.0
143.08557	0.6
144.08124	0.6
145.08884	0.4
146.05989	0.3
146.09653	1.2
148.07587	0.3
148.11255	0.4
150.09117	0.9
155.07097	0.3
156.94992	0.3
158.09657	1.2
159.08110	0.6
160.07523	0.4
160.11217	4.4
161.08360	0.5
161.11916	0.4
162.09120	0.5
162.12776	0.3
168.10144	0.3
170.09669	1.0
172.07611	0.4
172.11230	4.4
173.09682	0.4
173.11873	0.5
174.09100	0.7
175.07381	0.3
176.10753	0.4
178.12282	1.1
182.09637	0.4
184.11223	1.1
185.11867	0.4
186.09126	1.0
186.12793	0.4
187.07521	0.4
188.10744	3.0
188.14407	0.3
189.11288	0.3
190.12239	0.5
192.10236	0.4
196.11249	0.5
198.09109	0.9
198.10777	0.3
198.12793	0.5
200.10721	1.3
201.11420	0.5
202.12251	0.6
204.13770	0.5
206.11795	2.8
207.12444	0.4
208.11142	0.4
210.12761	0.4
212.10806	0.8
214.12178	1.5
216.10135	0.6
218.11768	1.3
220.13333	0.5
224.10751	0.4
225.11331	0.3
226.08600	0.4
226.11989	0.4
228.13893	0.8
230.11694	0.4
231.12474	0.5
232.13341	2.1
233.08009	0.4
233.14063	1.0
234.14912	0.7
238.12277	1.2
240.13829	0.9
242.12004	0.3
242.15369	0.7
244.13350	0.6
246.15060	0.3
247.09676	1.1
250.14415	0.6
252.14027	0.5
254.11784	0.7
256.13174	0.4
258.14929	1.2
259.15732	0.4
260.12811	1.1
260.16516	1.0
266.11725	0.4
268.13297	0.8
269.13992	0.5
270.11423	0.4
270.14835	1.6
271.15659	1.2
272.12820	0.5
272.16479	1.2
274.14423	0.8
276.15970	1.1
280.13110	0.3
282.11377	0.6
282.14688	0.4
284.12866	0.5
284.16205	0.3
286.14374	2.7
287.15131	2.3
288.15927	10.5
288.19153	0.5
289.16348	0.8
298.14441	0.8
300.12305	0.4
304.15384	3.5
305.16193	8.5
306.16699	0.7
308.12860	0.7
316.15494	0.8
318.13446	1.3
322.14194	0.3
326.13931	0.7
326.17624	0.6
336.16248	0.4
338.17371	1.4
340.15424	2.2
342.20862	0.4
354.17123	1.0
358.16397	3.2
358.20093	0.4
368.18707	0.9
370.20410	0.4
376.21194	0.6
381.15436	0.3
382.16522	0.4
386.19736	3.4
396.18085	3.7
404.20691	7.8
414.19092	22.4
415.19394	1.5
432.20166	100.0
433.20459	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	432.202
Annotation	Oxymaistemonine
Peak:m/z	Relative Intensity
55.01868	0.9
63.56168	0.4
68.05020	0.4
69.03436	0.8
69.61154	1.2
71.04976	2.1
73.37283	0.4
80.05048	0.6
80.15760	0.4
81.07053	0.4
83.01335	0.8
91.05501	0.9
96.08105	0.5
99.04441	1.7
104.61096	0.4
105.07028	0.5
106.06555	0.7
108.08148	0.6
120.08094	0.8
121.06501	0.7
125.06000	0.6
127.03953	0.4
129.07115	0.5
130.06635	0.5
131.07304	0.5
131.08583	0.8
132.08102	1.5
134.09650	5.3
143.08513	0.6
144.08098	0.7
146.06024	0.5
146.09695	1.3
148.11212	0.5
150.09155	0.6
158.09673	0.8
159.08069	0.8
160.07629	0.8
160.11205	3.9
161.08293	0.4
162.09094	0.9
170.09683	0.8
172.11220	5.3
173.11983	0.8
174.09189	0.6
176.10710	0.5
180.10220	0.5
184.11252	1.5
186.09146	0.7
186.12814	0.7
187.07574	0.6
188.10695	2.3
190.12169	0.6
198.09142	1.2
200.10724	1.6
206.11780	1.9
208.11166	0.5
210.12764	0.6
212.10757	0.6
214.12291	1.2
216.10138	0.6
218.11801	2.0
220.13356	0.5
224.10774	0.6
228.13890	0.7
230.11700	0.5
231.12604	0.6
232.13324	1.4
233.08171	0.5
233.14229	0.6
236.14510	0.4
238.12318	0.9
240.13846	0.8
242.15318	1.0
247.09685	1.2
248.12956	0.6
254.11734	0.6
256.13287	0.9
258.15009	1.1
260.12863	0.6
260.16394	0.5
264.13721	0.7
266.11890	0.4
268.13376	1.1
270.14975	1.7
271.15723	2.2
272.13269	0.6
272.16486	2.1
274.14417	0.5
280.13193	0.7
282.11304	0.6
286.14398	2.6
287.15173	2.1
288.15964	6.6
298.14270	0.8
304.15323	2.6
305.16119	4.2
308.12805	0.8
316.15643	0.8
320.16699	0.5
326.13779	0.6
328.15372	0.5
338.17642	1.6
340.15454	2.7
353.16171	0.5
354.17111	1.2
358.16437	3.8
358.20584	0.6
359.17044	0.5
368.18600	0.7
370.20300	0.7
386.19617	2.2
388.51285	0.5
396.18045	5.8
404.20773	1.1
414.19113	28.4
415.19647	2.5
432.20187	100.0
433.20541	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	432.202
Annotation	Oxymaistemonine
Peak:m/z	Relative Intensity
55.01873	0.9
55.21712	0.4
58.12899	0.4
67.05495	0.6
69.03419	1.5
70.72971	0.6
71.04992	2.4
71.22188	0.5
79.05494	0.7
80.05015	1.0
83.01340	0.6
91.05487	1.1
93.07083	0.5
94.06567	0.6
95.76789	0.4
96.02193	0.6
96.08152	0.9
97.06484	0.4
99.04452	1.7
108.08152	0.8
109.06559	0.5
120.08096	0.7
122.09645	1.2
125.05975	0.9
130.06578	0.6
132.08090	2.0
134.09648	4.9
143.08598	0.9
144.08098	0.8
145.06436	0.6
145.10089	0.4
146.06058	0.4
146.09666	1.2
148.11194	0.7
150.09151	1.5
158.09625	1.0
159.08038	1.1
160.11214	4.7
162.09184	1.4
162.12862	0.6
167.08548	0.5
168.10164	0.7
170.09685	0.9
171.08075	0.6
171.10306	0.5
172.11215	3.7
172.51935	0.5
173.11978	0.9
176.10699	0.5
178.12280	0.8
180.23843	0.4
182.09630	0.5
184.11264	0.7
187.07523	0.6
188.10672	2.9
189.11322	0.7
190.12453	0.6
200.10753	1.2
202.12289	0.6
206.11755	2.3
207.12340	0.5
212.10675	0.6
213.11523	0.7
214.12286	1.2
218.11781	0.9
220.13365	0.6
224.10739	0.7
228.13828	0.7
229.08473	0.6
230.11856	0.8
232.13258	3.2
233.14063	1.0
234.14833	0.7
238.12248	0.7
240.13722	0.9
242.11743	0.5
244.13316	0.6
247.09607	0.7
250.12189	0.7
250.14452	1.3
256.13339	1.2
258.14932	1.6
260.12836	1.1
260.16501	1.3
268.13522	0.8
270.14987	1.3
271.15549	1.3
272.12982	1.1
272.16483	0.9
274.14282	0.7
276.16034	1.8
286.14432	1.7
287.15189	2.0
288.15991	6.4
298.14432	1.1
304.15421	3.6
305.16196	4.4
308.12634	0.6
310.17896	0.5
316.15552	1.2
318.13474	0.7
326.13922	0.6
330.16757	0.6
337.88458	0.5
338.17590	0.7
340.15366	2.3
354.17123	0.8
358.16409	2.0
368.18408	0.8
386.19836	2.9
396.17896	4.0
404.20612	3.4
414.19110	23.2
415.19351	1.6
432.20187	100.0
433.20502	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	432.202
Annotation	Oxyprotostemonine
Peak:m/z	Relative Intensity
55.01873	0.4
61.34201	0.3
67.05492	0.6
69.03434	1.3
69.74178	0.7
70.06596	0.7
71.04998	1.3
73.37942	0.3
79.05482	0.5
80.05025	0.5
83.01343	0.8
83.05000	0.4
88.03978	0.6
91.05486	0.9
93.07049	0.5
94.06548	0.5
95.04976	1.5
97.02917	0.8
98.06095	0.3
99.04453	2.8
105.07030	0.5
107.08580	0.6
109.06554	0.4
118.06557	0.5
120.08114	0.9
127.03851	0.4
128.07098	0.6
129.05473	7.5
132.08032	0.7
134.09671	2.3
135.52838	0.4
136.11229	1.4
137.06033	0.6
144.08095	0.5
146.09662	1.1
148.11183	0.8
150.09146	0.8
155.03317	0.6
158.09662	1.4
159.10440	0.9
160.07625	0.6
160.11244	1.7
161.09511	0.6
162.09134	0.7
162.12764	6.0
164.10663	1.1
167.07022	0.5
170.09660	0.8
172.11168	1.8
173.09799	0.4
174.09088	0.5
174.12787	6.0
175.09857	0.5
175.13475	0.5
176.10774	1.1
184.11223	0.9
185.11993	1.4
186.12791	3.1
188.10786	1.8
188.14307	0.5
190.12251	5.7
200.10703	2.7
200.14449	0.6
201.11226	0.5
202.12283	2.1
206.11755	0.6
212.14265	0.7
212.47874	0.4
214.12308	0.5
214.15944	0.6
216.10150	0.6
216.13857	1.3
218.11760	1.5
218.15337	0.4
220.13347	0.8
228.10246	0.6
230.11819	1.3
230.15427	1.0
231.12439	1.9
232.13292	0.5
240.13814	3.3
248.12793	0.7
249.11119	0.5
250.14470	0.7
258.14893	4.6
259.15512	0.6
260.16458	0.8
266.56424	0.4
268.13385	0.6
270.14688	0.7
272.16458	0.9
274.14465	0.9
276.15857	2.1
277.16632	0.8
284.12900	0.9
284.16315	0.5
286.14481	1.4
288.15930	1.7
288.71719	0.5
289.16776	1.2
290.17645	0.4
302.13852	1.1
304.15421	12.7
305.16190	6.7
306.16776	0.6
310.14285	0.6
316.15485	0.9
319.31265	0.5
328.11954	0.5
328.15353	1.9
334.16519	0.6
340.15295	0.5
342.16931	0.8
346.16574	1.2
356.18710	0.5
358.16586	0.5
368.18521	0.6
386.19540	4.2
388.21091	1.1
396.18210	0.5
400.17642	0.5
404.20529	3.1
414.19122	8.2
415.19553	0.6
432.20172	100.0
433.15228	0.5
433.20584	7.3
457.46805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2022
Annotation	Oxyprotostemonine
Peak:m/z	Relative Intensity
55.05521	6.2
57.07064	1.1
59.05011	1.2
60.01216	1.1
61.57456	1.0
62.77303	1.0
69.03434	4.0
70.06562	1.2
70.66126	2.3
71.05000	5.8
79.05488	1.5
80.68071	1.1
82.06590	1.4
83.01351	2.6
83.04978	1.4
83.08630	2.7
86.46196	1.1
91.05492	1.8
95.08640	1.4
97.02902	3.7
97.35228	1.1
97.80874	1.5
99.04465	10.8
100.07605	1.2
100.11272	15.8
105.07022	1.5
111.04443	2.3
112.07532	1.1
119.08573	1.8
120.08094	2.3
128.07170	1.9
129.05478	34.8
132.08084	4.6
133.08884	1.6
144.08047	2.6
146.09656	2.4
155.03403	25.6
156.08247	1.3
157.08885	1.7
158.09633	7.9
159.10422	6.9
160.07631	1.6
160.11240	4.4
162.09178	2.6
162.12761	7.4
167.06993	1.9
170.09660	3.2
172.11185	5.7
173.11786	1.3
174.09235	1.5
174.12802	3.2
176.10823	1.5
177.11169	1.4
182.15405	7.8
184.11191	7.5
184.16986	1.1
185.12022	8.2
186.12796	13.8
187.13406	2.2
188.10736	3.8
190.12358	2.1
200.10696	1.2
202.12331	4.4
204.10384	1.2
206.11815	1.8
209.16534	1.7
210.14906	7.8
211.15256	1.2
212.10861	1.4
212.14372	2.1
213.11504	1.6
213.15126	1.5
214.12245	3.0
214.15944	3.6
218.11760	8.1
227.17441	1.4
228.16037	1.3
230.11774	6.2
230.15399	1.5
231.12514	8.5
232.13264	2.4
236.12898	2.3
240.13832	14.1
241.14357	1.5
242.15474	1.3
248.12723	2.0
258.14926	17.0
259.15646	1.5
260.16428	14.1
266.11963	1.1
268.13348	2.0
274.97604	1.5
276.15967	3.2
284.12759	1.3
286.14417	4.6
304.15445	28.8
305.16055	2.6
316.15533	2.1
330.01508	1.1
334.16406	1.3
338.17474	1.3
368.18607	3.9
386.19571	4.5
396.17935	1.6
414.19171	19.4
414.24594	1.6
415.19330	1.9
431.84125	4.6
432.20181	100.0
432.34137	3.0
433.20581	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	432.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71876	0.4
69.03413	1.0
70.01301	1.1
73.06553	1.5
79.05485	0.8
84.08138	0.9
85.02919	2.4
91.05464	0.8
93.07037	1.7
97.02888	0.9
98.23456	0.4
98.97575	1.1
103.04845	0.6
103.05466	6.6
105.09131	0.6
107.04956	1.7
120.08105	100.0
121.08415	2.5
127.03902	1.0
127.15990	0.4
131.04951	2.7
145.04919	1.4
148.07455	0.5
149.05984	2.5
166.08641	54.2
167.08971	1.6
184.41154	0.4
213.90848	0.5
270.17032	1.1
274.97296	0.5
312.18045	1.0
349.10486	0.4
354.52902	0.4
382.29074	0.6
432.19958	2.8
433.11868	4.4
433.17087	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	432.9338
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25450	0.5
70.55256	1.0
74.55450	0.5
94.93013	100.0
96.92820	6.0
194.58330	0.6
216.90604	0.8
218.92232	1.8
236.95616	9.5
241.71364	0.5
244.90193	1.9
246.81046	0.5
246.91718	6.0
248.60585	0.5
272.89633	80.0
273.89975	1.6
274.89301	4.2
274.91391	3.4
391.71790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01882	0.1
61.39620	0.1
67.01868	0.4
68.99828	0.2
69.69388	0.1
69.69780	0.1
81.03437	0.1
85.02898	0.1
91.05482	0.2
99.14434	0.1
111.00822	0.1
119.04945	1.6
121.02865	0.4
127.03894	0.1
127.05858	0.1
129.01833	0.1
131.04919	0.1
145.02820	0.5
151.07455	0.1
153.01820	4.2
154.02216	0.1
161.06076	0.1
163.03932	0.4
171.02879	0.3
171.07982	0.1
187.03908	0.2
189.09271	0.1
197.06084	0.1
203.07068	0.1
204.13959	0.1
215.06984	0.1
225.05457	0.1
229.05008	0.2
243.06467	0.3
243.08794	0.1
253.04820	0.1
254.05780	0.1
271.05997	100.0
272.06335	5.9
276.15891	0.1
277.56128	0.1
388.21051	0.1
433.11072	0.6
433.20511	0.2
434.21729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96261	0.3
61.94088	0.3
69.26383	0.3
69.56348	1.3
76.70650	0.4
85.02883	0.4
107.41039	0.4
140.38608	0.4
157.04709	0.5
163.74745	0.3
203.04051	0.5
289.08948	0.9
299.07382	1.2
300.47183	0.3
301.08984	0.8
317.08502	0.4
319.09995	6.3
359.09363	1.9
403.11917	2.1
415.12079	2.2
433.13177	100.0
434.13431	5.4
434.18347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18024	0.3
55.01866	0.7
59.35988	0.3
61.01143	1.4
67.05495	1.1
68.99784	0.9
69.03423	1.1
70.06605	0.5
70.17311	0.6
70.17650	0.3
71.05007	0.4
71.94036	0.3
72.04504	1.4
75.25709	0.3
78.03792	2.9
79.05492	0.7
81.03413	0.3
81.07056	0.7
82.06582	0.4
83.01354	0.3
84.08125	0.4
86.06075	4.3
91.05477	0.3
95.04939	0.3
95.08614	0.5
98.06036	0.3
102.03766	5.6
105.06979	0.5
106.06564	0.3
107.05009	0.3
108.08046	0.4
109.06525	1.0
109.10159	0.3
111.08115	0.7
115.05422	0.4
115.08697	3.0
119.04874	0.4
120.04774	0.6
120.08092	0.7
122.03699	0.5
122.09670	0.7
123.04433	0.5
127.03924	0.5
129.07005	0.3
131.06395	2.6
132.04785	2.5
134.09663	0.5
137.05980	13.5
138.06329	0.4
138.09161	0.4
141.06967	2.5
147.04446	1.8
147.05466	0.3
148.07558	0.4
149.07440	20.1
150.09079	0.6
153.06992	0.4
155.03403	0.4
155.04845	0.6
157.06522	0.8
162.09239	0.3
162.12787	1.6
167.07066	0.3
168.05722	1.5
169.06487	3.2
174.12753	0.3
176.04614	0.6
178.04988	19.9
179.05186	0.4
179.07018	1.5
181.04965	0.4
182.11722	0.4
183.04504	1.5
183.06470	0.4
183.08038	0.4
185.06009	0.8
186.06700	1.0
186.12946	0.4
187.07573	1.2
189.09093	0.3
190.12329	0.4
196.05223	1.3
197.05974	14.1
197.07776	0.7
198.06635	0.9
199.07463	0.4
200.04591	0.6
202.06212	0.6
204.13831	9.5
207.04410	0.6
211.03949	0.7
211.07600	0.7
213.05458	2.7
214.06259	6.9
215.07040	1.8
216.07753	0.3
217.08649	0.8
224.04716	0.9
225.05467	13.9
225.07698	0.8
226.06207	1.8
228.04166	0.7
229.08592	1.6
232.06091	1.6
234.14943	0.4
239.07033	0.9
241.04962	0.4
242.05737	13.5
243.06499	2.8
247.09541	0.6
249.10971	0.3
252.04112	0.5
253.04967	16.1
254.05440	1.8
257.08112	4.0
260.16455	2.1
267.06525	0.5
269.04446	0.9
270.05212	15.7
271.05713	0.9
276.15961	0.4
285.07568	100.0
286.07910	3.6
302.10287	0.8
309.08490	0.4
314.10196	1.8
317.15811	1.1
318.17108	0.4
356.11304	5.1
388.21185	9.0
389.21671	0.4
397.54132	0.3
400.24426	0.7
401.24905	0.5
415.19580	0.3
416.20599	0.3
432.24609	1.5
433.14001	0.5
433.20096	2.4
433.24319	2.4
434.15991	0.6
434.21658	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	433.1875
Annotation	Sethukarailide
Peak:m/z	Relative Intensity
55.07622	3.0
69.61003	11.7
79.54462	2.9
111.08120	3.3
119.08567	11.4
120.08953	4.3
135.08049	2.9
141.02650	3.1
152.41490	3.0
188.64362	2.7
196.74799	2.6
229.67860	2.8
262.04865	14.1
271.15320	2.8
280.05978	25.5
294.03802	27.2
353.21878	8.1
373.16653	100.0
373.21359	5.6
374.16672	6.0
391.17651	41.1
414.19305	17.1
433.18494	16.6
434.21777	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.0
57.03439	5.6
57.06820	0.9
57.07079	11.6
67.05503	5.0
69.07071	4.2
69.47887	1.5
69.48292	1.8
71.08633	6.7
72.08176	1.3
79.05489	1.7
81.07067	5.4
83.08625	4.1
85.10181	4.0
91.05513	1.8
93.07059	2.3
95.08614	5.9
97.10183	2.8
105.07081	0.7
107.08595	1.4
109.10172	3.7
111.08074	0.7
113.00023	82.0
117.10387	0.8
119.08591	1.5
120.08920	0.9
120.96644	8.7
121.10179	1.7
123.11700	1.5
135.11684	2.1
149.13503	0.7
169.02620	78.8
169.81197	0.6
170.02943	1.3
173.50824	0.6
176.99301	1.4
195.00296	6.0
230.12143	0.7
230.37239	0.7
232.19118	0.7
247.24031	1.0
265.25360	1.6
313.27383	19.2
313.30902	1.3
314.27786	1.1
335.25705	0.7
353.26773	2.6
385.42459	0.6
394.40555	0.7
415.22339	6.7
427.53668	0.7
433.23309	100.0
434.22559	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	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03937	2.0
55.01867	2.5
55.05509	8.4
57.03437	10.3
57.07068	4.1
61.19243	1.2
63.17170	1.2
64.41644	1.2
65.03941	2.0
67.05504	54.4
69.03427	1.5
69.07057	11.1
70.06601	1.6
70.62892	3.1
71.05007	1.4
71.08624	2.5
79.05489	35.0
80.95913	1.2
81.07056	57.9
81.55428	1.4
83.04990	1.5
83.08608	6.7
85.06556	2.4
85.10196	1.6
91.05471	20.6
93.07043	42.6
95.04974	4.0
95.08602	46.1
97.06540	2.8
97.10154	3.0
98.98465	53.5
99.08111	2.8
105.04521	1.3
105.07019	16.7
107.04942	2.0
107.08590	22.9
109.06501	2.5
109.08968	1.2
109.10158	16.3
111.08102	4.5
113.09647	2.8
117.07004	6.8
119.08581	11.3
121.06495	1.7
121.10139	19.8
122.09713	2.7
123.08152	1.3
123.11696	5.9
131.08556	12.3
133.10121	9.8
135.11688	14.1
137.06108	1.2
137.13228	3.5
138.09131	1.3
140.06969	1.3
145.10118	9.8
147.11688	8.1
149.13234	11.5
151.14867	2.0
155.01109	6.3
158.50925	1.1
159.11592	6.3
161.13269	4.6
163.14822	7.2
168.10135	1.4
171.11777	1.3
173.02094	10.4
173.13316	6.4
175.14818	2.8
177.16393	5.4
181.04938	1.4
187.14842	4.9
191.14311	1.9
217.19493	1.9
225.48869	1.3
233.22603	3.9
243.21080	22.4
245.22459	1.4
247.09576	1.7
261.22125	46.9
262.22510	3.6
311.08951	1.5
317.24622	6.0
335.25793	100.0
336.26154	6.3
369.08170	1.4
373.16507	1.9
403.10196	1.6
433.15143	2.8
433.20883	9.5
433.25497	2.2
434.16226	1.8
434.21686	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	433.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.6
57.03447	10.0
57.07071	2.4
65.03945	2.3
67.05505	56.9
69.03435	2.5
69.07085	8.1
69.35197	6.3
71.08640	1.7
71.88033	1.5
79.05495	27.5
81.07059	58.1
83.08614	6.6
85.06483	1.7
91.05474	20.4
93.07044	45.5
95.04999	3.5
95.08606	44.3
96.08947	3.1
97.06557	2.7
97.10162	4.4
98.22610	1.8
98.98470	87.6
105.04527	1.8
105.07040	17.8
107.08587	30.2
109.10152	19.9
111.08073	3.2
117.07040	4.6
119.08589	14.3
121.06494	5.0
121.10141	23.0
122.06773	1.7
123.08076	2.7
123.11704	9.9
129.05472	2.5
131.08586	9.7
133.10139	10.3
134.09737	1.7
135.08069	4.2
135.11668	15.1
137.09633	1.7
137.13248	2.7
145.10114	10.1
147.11716	8.4
149.13232	11.8
151.14842	2.3
155.01048	8.0
159.11719	6.5
161.13260	5.7
163.14825	6.9
165.12779	2.1
173.02089	15.5
173.13261	5.2
175.14815	2.9
177.16443	2.3
187.14871	5.1
243.21037	14.6
247.80202	1.7
259.13272	3.7
261.22156	48.3
299.23514	1.7
317.17905	2.8
317.24887	5.7
335.18991	6.0
335.25790	100.0
336.26166	7.6
338.01245	1.7
355.76334	1.9
415.22501	2.3
433.15359	3.4
433.20599	10.6
434.21716	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	433.2354
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.57662	0.8
53.03936	1.6
55.01875	1.3
55.05307	0.9
55.05517	11.2
56.25662	0.9
57.03441	11.2
57.07063	2.6
65.03929	1.7
66.21635	0.8
66.70083	0.8
67.05507	50.7
68.05806	0.8
69.07073	9.2
69.10323	5.9
71.04985	1.1
71.08611	1.0
75.04482	1.5
79.05500	28.2
81.07060	52.6
82.07385	1.2
82.63530	0.9
83.05029	0.9
83.08618	6.4
85.06523	1.3
91.03840	0.8
91.05477	13.8
93.06451	1.1
93.07050	35.8
95.04958	2.7
95.08611	42.2
97.06537	2.1
97.10159	2.3
98.98471	67.1
99.08091	1.3
105.04491	1.1
105.07043	14.4
107.08597	22.7
107.76921	0.9
108.23238	0.9
109.06512	1.6
109.10159	17.8
111.08080	1.5
113.09623	0.8
117.07015	5.9
119.08596	10.7
121.06487	1.7
121.10145	18.9
123.11716	9.1
131.08589	8.9
133.10120	9.2
135.08041	1.3
135.11713	12.7
137.09650	0.9
137.13251	2.4
145.10144	8.4
147.11685	7.0
149.13243	10.5
155.01059	10.8
159.11713	6.5
161.13280	5.7
163.11182	1.1
163.14864	6.5
165.99561	0.9
173.02136	13.7
173.13264	8.1
175.14809	2.3
177.16403	2.3
187.14816	5.1
191.14371	1.4
201.16393	2.0
233.22649	2.6
243.21074	13.9
261.22156	43.3
262.22430	2.0
268.49725	0.8
279.23273	1.6
291.23151	2.0
299.24164	1.0
317.24823	7.1
335.25806	100.0
336.26175	8.0
415.22861	2.0
433.20532	2.0
434.21777	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	433.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08378	2.1
55.05507	11.4
57.03440	10.0
57.07074	4.9
65.03969	2.2
67.05160	3.5
67.05508	48.5
69.03443	2.6
69.07069	8.9
69.85628	6.4
70.06601	2.6
71.04995	5.2
71.08659	2.4
75.04501	2.2
79.05492	31.8
81.07056	55.8
81.07501	4.2
82.06625	2.2
83.08627	5.4
91.05492	20.1
93.07053	41.0
95.04986	5.4
95.08604	51.3
97.06530	5.1
98.98473	58.7
99.08086	2.9
105.07016	20.3
107.04934	5.4
107.08596	21.6
109.06570	2.2
109.10178	16.7
111.08067	5.1
111.37543	2.0
112.18830	2.1
113.09638	2.5
117.07050	4.2
119.08578	14.0
121.06520	3.4
121.10122	22.6
123.11735	4.6
123.61010	2.0
130.08638	2.3
131.08591	8.8
133.10132	6.4
135.08101	4.8
135.11671	13.3
137.05940	2.6
137.13318	3.8
145.10149	11.9
147.11694	7.6
149.09518	2.1
149.13228	10.9
150.09161	3.2
151.07549	62.0
152.98393	2.3
155.01073	7.0
159.11722	6.2
161.13303	8.0
163.14807	10.1
167.07048	3.2
173.02118	6.8
173.13304	8.3
175.14833	3.7
177.16446	6.0
187.14917	3.6
233.22626	3.1
243.21065	21.5
261.22159	44.1
262.22452	2.5
317.24594	7.5
335.25790	100.0
336.26111	6.9
363.14835	2.2
391.19772	2.2
415.19479	3.7
433.15164	4.4
433.20847	17.1
433.25644	5.4
434.21762	62.8
434.27652	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	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
53.06070	1.0
54.24649	1.1
55.01872	8.4
55.05256	2.0
55.05511	30.8
57.03443	7.2
57.07063	1.3
59.05004	2.2
59.46028	1.1
65.03934	2.5
67.05159	2.1
67.05505	37.7
69.03436	5.3
69.07070	13.9
69.70334	0.9
71.04992	3.4
71.46339	1.0
75.04488	1.1
77.03927	0.9
79.05492	49.6
81.03432	7.1
81.07056	35.8
81.07412	0.6
83.05001	5.4
83.08623	15.4
83.60931	1.0
85.02928	1.5
85.06541	3.2
89.22757	1.1
91.05483	39.2
93.07047	35.1
95.04971	34.3
95.08607	17.3
97.06548	5.5
97.10169	20.9
99.08077	1.9
103.05473	3.2
105.03397	2.6
105.04517	1.3
105.07027	29.4
107.04958	15.0
107.07919	2.1
107.08598	22.6
109.06521	6.5
109.10155	10.0
111.08081	3.4
115.05471	2.3
116.06250	2.1
117.07015	18.2
119.04933	4.0
119.08578	13.4
121.06503	18.4
121.10137	15.3
123.04474	1.9
123.08083	6.9
123.11695	2.4
125.09639	16.0
125.13188	1.1
128.06224	5.8
129.05476	2.7
129.07007	23.4
131.04944	11.8
131.08572	23.0
133.06491	9.3
133.10110	7.3
135.08052	8.4
135.11708	2.7
136.07574	1.5
137.09608	2.0
141.06985	10.4
142.07846	2.7
143.08557	13.1
145.06477	19.0
145.10109	13.5
147.08054	8.9
147.11688	3.7
149.09618	20.8
151.07497	1.6
153.06984	2.6
153.09094	2.1
154.07784	2.8
155.08568	8.2
156.09402	1.1
157.06479	2.7
157.10051	5.3
159.08083	8.5
159.11694	9.6
160.08852	1.2
161.06024	1.5
161.09621	3.5
161.13249	3.3
163.11174	5.7
165.06953	1.5
167.08522	4.2
168.09370	1.2
169.08749	1.9
169.10071	9.9
171.08060	3.4
171.10332	1.4
171.11685	16.4
173.09639	7.8
173.13252	2.7
175.11201	3.2
177.12779	1.8
178.12103	1.0
179.08582	2.6
181.04903	1.3
181.06477	1.3
181.10136	4.5
183.08075	1.8
183.11697	3.7
185.09616	3.7
185.11812	1.6
185.13290	4.0
187.11153	8.3
189.09171	3.8
189.11197	10.1
189.12772	13.8
193.10155	1.7
193.12236	2.4
195.10162	1.4
195.11743	4.1
197.08032	2.1
197.09636	4.6
197.13280	3.6
199.11203	3.3
201.12764	1.4
203.10771	2.2
203.14355	2.6
204.13904	3.5
205.12184	6.2
207.11769	2.3
209.13307	2.5
211.11185	6.4
213.12762	3.1
215.10744	3.9
215.14363	2.0
223.13275	5.0
225.12724	3.5
227.12589	5.5
229.12259	4.9
231.13834	2.5
237.12813	1.4
239.14235	1.8
243.13806	4.4
245.13681	1.8
246.15005	1.2
247.13263	1.6
249.14920	2.1
257.15387	3.6
261.14767	2.0
267.15967	4.2
273.14984	2.3
275.16388	1.3
279.15866	1.2
283.09744	2.4
295.20633	3.3
297.11389	1.5
313.21597	4.9
321.17004	1.8
323.20078	21.5
324.20786	1.3
326.11557	8.1
335.18527	1.4
341.21106	100.0
342.21478	6.0
359.22122	8.9
360.14331	3.1
377.23486	2.2
379.22733	1.8
388.21094	2.3
397.23740	2.4
402.19086	23.4
415.24780	45.1
416.25125	3.2
433.16675	10.4
433.21170	4.1
433.25848	92.6
434.21265	10.8
434.27267	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	433.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41829	2.6
52.62799	2.9
55.05509	4.1
56.99827	2.3
60.04528	4.0
67.05491	4.4
69.03415	4.6
69.07063	5.6
71.04980	3.3
71.44888	2.4
76.50676	2.7
77.93640	2.5
79.05504	3.2
81.07050	9.5
83.08590	3.0
91.05521	4.0
93.07039	5.3
95.08630	6.8
97.06532	7.8
103.97321	2.7
105.82117	3.6
107.08552	5.6
109.06493	3.2
111.08064	3.8
119.08562	8.1
120.08942	5.7
121.10136	4.9
129.96754	2.4
130.08653	4.3
131.08557	4.5
135.08028	3.2
135.11732	3.9
138.13960	3.4
155.08774	3.2
165.11270	2.5
165.56303	2.8
185.76726	3.2
188.14302	6.9
196.21043	2.7
204.13832	9.1
240.17368	3.6
255.23193	3.5
260.16437	3.2
294.18478	6.1
296.16467	6.1
310.17969	6.1
314.17349	7.4
342.20651	4.9
370.20169	47.5
388.21167	100.0
389.21674	6.4
415.26849	4.1
415.35928	3.8
433.15375	3.8
433.20801	7.0
434.22031	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	32.0
57.03440	6.4
57.07080	55.6
60.47753	3.7
67.05503	72.4
69.03413	5.9
69.07076	32.5
71.04992	9.1
71.08630	14.5
79.05501	39.7
81.07060	83.3
82.73261	3.9
83.04974	8.9
83.08636	24.9
85.06525	6.2
91.05488	19.4
93.07046	54.0
95.04960	11.2
95.08610	72.4
97.06557	20.2
97.10163	14.4
99.08105	6.0
105.07053	23.6
107.08604	36.7
109.10154	28.9
111.08101	10.2
117.07030	5.5
119.08582	13.6
121.10137	29.4
123.11720	17.9
127.11197	13.2
131.08594	9.3
133.10178	13.3
135.11708	18.7
141.12697	8.2
143.08545	5.7
145.10120	10.4
149.13280	16.8
159.11745	6.6
161.13173	4.6
163.14865	8.0
167.14398	5.4
173.11829	3.7
175.14896	4.5
181.12270	5.5
187.14771	6.2
193.09158	4.2
204.13840	9.6
221.19121	4.2
225.18568	7.6
231.15912	9.8
235.20515	6.4
245.17522	6.9
267.19757	4.3
325.28943	4.9
343.29965	14.7
361.30966	100.0
362.31207	12.2
379.32095	95.7
380.32285	6.6
388.21225	10.8
396.83780	4.3
403.10452	7.5
424.22189	4.6
427.15173	4.3
433.20645	6.4
434.21912	42.1
434.38345	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	433.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83304	2.2
55.05515	29.0
57.07076	60.3
57.21889	1.9
58.17767	2.1
58.90517	2.0
59.53263	1.9
65.94756	2.0
67.05488	4.3
69.06707	3.7
69.07072	72.3
71.08633	50.0
79.20796	2.3
81.07073	9.7
83.08624	61.7
85.10181	33.3
89.92717	2.1
93.07015	2.7
95.04903	2.6
95.08615	10.8
97.10173	61.8
98.23427	4.2
98.41381	2.0
99.11748	5.5
109.10136	2.8
111.11719	56.7
113.13315	4.3
119.08605	2.5
121.06508	3.1
123.08084	5.2
125.13262	23.5
135.08058	5.3
137.06004	6.8
139.07541	21.8
139.14853	5.5
144.99939	2.4
149.09683	2.1
151.07552	83.7
152.07921	2.4
155.07013	9.0
163.07474	3.0
165.09142	14.6
167.07043	100.0
168.07394	3.2
169.02580	6.3
174.86989	2.1
177.09099	19.3
181.30711	1.9
191.10683	25.8
205.12193	12.7
207.33723	2.2
219.13741	3.0
349.54453	2.1
415.35721	20.5
433.14590	3.0
433.20346	5.1
433.31216	3.2
433.36749	34.4
434.21811	20.1
434.36737	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	434.158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11651	1.2
52.12347	1.1
55.60745	1.1
56.96576	2.2
59.45377	1.1
71.04940	1.4
75.42328	1.0
79.05502	1.0
80.05014	1.1
84.96027	2.1
89.56880	1.1
94.06580	1.2
95.08615	1.4
103.85441	1.0
104.27733	1.0
111.08125	1.8
122.09679	1.1
137.05997	3.0
163.07576	1.1
205.04979	1.5
226.11122	6.2
239.02327	2.4
244.12196	1.8
259.38483	1.8
344.15366	2.8
362.16507	1.6
390.15945	2.7
416.76917	1.2
434.15707	100.0
434.21710	27.9
434.28088	2.0
435.16037	6.7
435.22226	2.7
452.17065	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	434.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01868	3.5
55.05488	2.2
57.03434	2.0
61.02909	1.7
65.03935	1.1
67.05498	7.4
69.03428	13.8
69.19213	5.6
70.06580	1.5
71.04990	1.9
73.02917	2.1
79.05484	3.8
80.04980	1.6
81.03419	8.2
81.07053	2.4
83.01315	1.0
84.08163	1.5
85.02900	21.8
87.00825	11.6
91.05478	2.0
93.07030	3.4
95.04950	2.8
95.08603	35.4
96.08089	1.3
97.02880	9.0
99.04446	3.2
100.11263	2.0
102.86626	0.9
105.01862	11.0
105.07018	3.2
107.04967	1.3
107.08566	1.6
108.08129	1.3
109.02852	6.8
109.06526	2.3
110.09624	1.6
111.08084	3.9
115.03930	1.2
121.06475	2.1
122.09666	3.8
123.04431	27.9
123.08067	28.4
125.05985	1.2
127.03914	22.9
133.06468	2.4
136.11218	1.1
142.26500	1.0
145.04944	6.8
147.08020	1.4
148.11229	1.3
149.06012	1.1
150.09154	2.9
151.07538	58.5
152.07855	2.2
159.02863	2.6
162.12749	2.9
165.09151	2.1
167.07071	1.0
168.10188	1.5
169.08600	48.3
170.08920	1.4
180.10188	1.0
182.11784	3.4
193.08571	1.7
209.16304	1.1
213.03929	2.4
231.04974	8.0
234.14943	2.3
236.16414	5.1
247.09726	2.1
264.19391	1.1
277.16199	1.2
292.19049	4.4
306.16818	1.5
308.18515	2.5
309.19073	1.0
318.16748	1.0
335.91803	1.2
337.13104	1.0
360.18127	3.0
363.10916	2.4
381.11856	1.5
404.20630	1.4
416.20618	1.9
434.21713	100.0
435.21915	8.9
435.33420	3.5
446.09833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
53.11536	1.2
53.33787	1.1
55.01856	1.4
56.25218	1.3
57.03433	3.7
61.02927	6.6
67.05524	1.2
69.03431	19.5
69.55670	4.8
71.04987	5.8
73.02929	6.5
81.03419	12.8
85.02909	59.9
87.04469	16.4
88.64064	1.2
91.03958	3.5
97.02885	19.6
99.04514	2.8
99.99698	1.5
103.03967	1.3
109.02888	9.3
111.08081	1.8
115.03938	58.9
122.09703	1.4
123.04436	100.0
124.04731	1.6
126.01060	2.2
127.03913	31.0
133.04971	24.9
134.09689	2.7
145.04961	42.4
146.05350	1.3
150.09137	2.0
161.60611	1.2
163.06046	5.5
165.05469	1.2
183.06540	1.4
205.35893	1.3
207.04379	2.5
231.06578	1.8
249.07677	1.4
254.04478	2.9
259.08038	8.2
260.16504	2.3
277.09183	18.1
279.49924	1.4
306.16916	3.0
335.65073	1.4
388.21249	1.9
416.20764	6.7
434.21796	50.3
435.21759	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	434.1815
Annotation	Tirandamycin B
Peak:m/z	Relative Intensity
55.01871	2.7
55.05491	0.7
55.75630	0.6
57.03445	0.7
58.72079	0.6
63.29649	0.6
67.05519	3.9
69.03423	4.5
69.37188	3.2
69.37609	1.2
71.04999	3.6
75.62900	0.7
79.05512	3.2
80.05015	2.4
81.03411	0.8
81.07061	1.9
82.06590	0.7
83.01342	1.9
83.04984	1.2
85.06542	3.5
86.06074	1.6
91.05470	4.8
93.07041	3.0
94.06567	2.7
94.68039	0.7
95.04973	4.6
95.08609	0.9
96.08113	1.1
97.06540	1.2
98.06048	1.0
99.04469	2.8
101.31866	0.6
105.07029	3.0
106.06561	2.4
107.04960	1.3
107.08594	1.1
108.08144	1.3
109.06513	2.9
110.09677	1.1
111.08086	10.5
115.03824	0.9
115.05479	0.9
117.07020	1.4
117.48058	0.6
118.06552	1.0
119.04943	1.0
119.08578	2.0
120.08113	2.0
121.06512	1.8
122.09700	3.9
123.04453	1.4
125.06039	1.0
127.03925	3.8
127.07572	1.4
128.06235	1.2
129.07027	1.4
130.07845	1.0
131.08566	0.9
132.08089	0.7
133.06520	2.0
133.10126	0.7
134.09660	1.4
135.08078	1.8
136.07578	1.5
136.11197	1.4
136.21802	0.7
137.05951	4.1
138.09183	1.2
139.07555	1.4
141.05484	1.1
143.08514	1.3
144.08144	1.0
145.06516	1.6
145.10101	1.5
147.04353	0.7
147.08064	1.8
148.07576	1.7
150.09157	2.9
150.12798	1.5
151.03897	4.6
151.07576	2.0
152.10689	2.4
153.05498	1.2
155.03421	4.9
155.07028	6.9
155.08440	1.3
159.08026	1.2
160.07578	1.3
161.05923	1.3
161.09616	2.2
162.09204	1.2
163.07582	0.7
164.10652	0.8
165.05505	8.5
165.09201	0.8
166.08630	2.1
167.07085	2.5
168.10245	2.9
173.09605	1.7
174.09149	2.7
175.07547	1.6
175.11197	0.7
176.07115	0.9
176.10680	1.1
178.12347	1.7
179.07085	1.7
181.08543	1.3
182.11780	3.1
183.06538	23.6
183.08134	1.7
184.09628	1.0
184.12115	0.7
185.09695	1.0
186.09152	1.4
189.09128	1.7
190.08601	0.9
191.07124	0.8
192.10193	1.3
193.08623	2.4
195.06555	1.5
197.08139	1.4
200.07068	1.2
204.10201	1.0
207.06564	1.2
213.09010	1.2
214.08711	1.1
216.10121	0.9
221.11787	1.3
232.09673	3.1
234.14980	1.2
236.16473	1.7
247.09714	1.0
249.11111	0.9
250.10797	5.7
261.11090	1.8
263.09119	1.4
267.12372	1.9
270.11230	1.2
273.11252	3.2
275.12744	0.8
297.29675	0.9
318.17026	1.3
336.18207	2.3
360.18112	1.1
388.21417	1.1
416.20792	8.5
434.17688	82.3
434.21884	100.0
435.18234	6.9
435.22458	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56166	0.4
51.81631	0.4
55.01873	1.0
56.43805	0.4
57.03452	3.5
60.04415	0.4
67.05504	0.5
69.03439	2.8
69.47977	0.9
69.48367	1.1
70.06599	1.1
71.04998	8.7
75.04483	1.8
76.48717	0.5
77.03903	0.5
79.05490	0.5
79.18266	0.5
82.06544	0.5
85.02927	3.1
86.02827	0.5
91.05482	2.6
93.07062	1.1
94.06572	0.5
95.04957	1.5
97.02904	1.8
99.04465	0.6
102.04656	0.5
103.05467	9.8
105.03389	0.9
105.07025	1.6
109.06522	0.6
110.03679	2.1
111.08101	2.9
111.66158	0.5
119.04939	3.2
120.08092	1.0
121.06492	2.5
122.09657	0.8
123.04418	3.6
124.05230	0.8
125.06028	0.5
127.03914	1.5
129.05472	2.3
131.04932	34.4
132.05257	1.1
133.06467	0.7
134.09662	9.7
136.11238	1.1
137.05978	6.0
138.06766	4.6
145.05013	0.6
146.09674	0.7
147.04382	1.0
148.05219	2.7
148.07594	0.6
148.11232	1.8
149.05948	0.5
149.11966	0.5
150.09148	0.6
151.07564	3.1
155.07109	0.5
160.11227	1.4
161.06036	1.4
162.06834	0.8
162.09151	3.3
162.12791	5.9
163.07545	21.8
163.13539	2.8
164.07890	0.9
164.10683	0.6
164.14294	0.5
165.05469	1.1
166.06274	6.7
172.11281	0.5
175.07584	0.7
176.14354	1.1
179.07057	1.8
180.10219	0.7
181.08595	10.1
182.11812	1.9
183.06557	1.4
187.25092	0.5
188.14346	0.7
190.12196	2.8
198.93831	0.5
206.11684	0.6
208.13315	4.0
218.11798	1.3
218.15433	0.6
219.10229	1.3
222.14952	1.1
232.13353	2.5
233.14038	2.6
234.11107	0.6
234.14868	1.0
236.12871	2.0
237.11221	6.1
242.15434	0.5
246.14911	2.6
250.14398	2.6
255.12282	22.5
256.12604	0.8
260.16458	7.2
261.17200	0.9
262.14413	0.6
262.18103	0.7
264.15933	4.0
267.08560	0.8
278.17398	2.3
288.15668	0.6
289.16821	0.8
306.17020	4.1
336.18152	1.8
346.16525	0.8
348.18112	0.5
360.18018	1.9
364.17459	2.3
397.98676	0.5
416.20700	11.6
417.20984	0.8
434.21744	100.0
435.16821	0.7
435.22159	6.3
440.80603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2176
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
52.66778	0.4
53.95917	0.4
55.01865	0.6
59.91984	0.4
65.03948	0.4
67.05503	0.9
68.05024	0.4
69.03426	4.0
70.06595	1.9
71.04982	1.1
79.05476	1.1
80.05018	1.4
81.07052	0.6
82.06583	0.6
83.01340	1.1
83.07319	0.4
84.07670	0.6
84.08139	6.8
86.06047	0.5
91.05479	1.3
93.07052	0.8
94.06578	1.0
95.04987	0.7
95.08596	0.6
96.08128	1.5
105.07032	1.0
107.04944	1.0
108.08104	0.7
110.09679	1.9
111.08070	4.8
115.03883	0.7
119.08564	1.2
120.08108	1.1
121.06433	0.4
122.09669	2.3
123.08079	0.5
125.05990	0.6
127.03873	0.8
133.10130	0.6
134.09639	1.7
136.10335	0.4
136.11201	2.2
138.09074	0.6
145.06451	0.9
146.09641	0.7
148.11243	0.5
149.05997	1.7
150.09157	2.1
152.10764	0.5
153.05479	0.6
159.08069	0.9
162.12744	1.0
163.07509	0.4
164.14380	2.7
167.07030	3.3
168.10213	1.6
171.06592	0.4
175.07558	0.5
176.08359	0.4
176.14340	0.5
177.08899	0.4
181.04953	3.8
181.08626	0.5
182.11795	1.8
184.13338	0.9
187.07553	1.0
189.09102	1.0
190.12210	0.5
204.07753	0.6
205.08852	0.5
206.05634	0.4
207.06541	0.5
218.05646	0.7
218.69748	0.4
219.10118	1.1
220.13306	1.5
221.08104	1.0
229.49632	0.4
233.08072	2.5
234.14844	2.3
236.16446	0.7
247.09657	25.5
248.10043	1.0
249.11151	2.4
260.12787	0.7
262.18018	1.7
263.09097	0.5
271.13318	0.4
290.17358	0.4
303.14676	0.5
308.18552	1.5
318.16989	43.1
319.17398	2.1
360.18127	1.7
374.19476	1.3
387.14603	0.4
416.20929	2.3
417.15512	3.1
417.21411	4.4
434.21713	100.0
435.22083	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	434.2174
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
54.18110	1.3
69.03409	2.6
70.06590	10.6
70.44073	1.3
71.04984	4.6
79.05496	1.7
80.04968	1.6
83.01354	1.5
84.08144	2.1
91.45021	1.4
94.06594	1.7
95.08591	3.2
99.04472	1.9
111.08083	4.2
117.12675	1.4
118.23759	1.3
122.09692	2.1
123.44022	1.7
124.11245	1.8
139.07573	1.7
150.09131	2.7
152.10704	2.3
155.03386	4.8
164.14455	1.6
168.10248	3.5
192.04575	1.3
194.03714	1.3
197.94160	1.3
210.12909	2.6
210.14873	33.2
211.15265	1.8
234.14931	1.6
236.16339	2.0
239.60431	1.4
244.13104	1.4
308.18698	2.3
310.78412	1.5
360.17917	3.7
416.20389	3.7
434.21686	100.0
435.22040	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	434.2178
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
51.07423	0.5
53.92578	0.6
55.01871	1.5
55.05507	2.2
59.05002	0.8
65.03913	0.7
66.92107	0.5
67.05508	8.5
68.05014	0.6
69.03434	9.9
70.06588	1.1
70.70042	0.9
71.04985	2.1
79.05503	2.4
80.05035	3.5
81.07056	1.7
82.06593	1.6
83.01351	1.4
83.04992	1.0
84.04507	0.8
91.05467	2.8
93.07052	5.6
94.06579	4.3
95.04973	1.8
95.08612	21.6
96.08109	0.7
97.06532	1.2
98.06054	9.7
98.06631	0.8
99.04459	2.8
105.07047	4.2
107.04935	0.9
107.08614	1.6
108.08115	1.5
109.06556	1.6
110.06045	6.7
110.09700	1.5
111.08080	2.6
113.09675	0.8
115.03989	0.7
117.06992	1.4
119.08588	0.9
120.08091	1.2
121.06522	5.1
122.05995	1.6
122.09680	18.2
123.08077	18.6
124.07577	1.4
125.05977	1.4
127.03919	2.9
129.05496	1.8
131.08548	1.3
132.08151	0.7
133.06567	0.8
137.05981	0.9
138.05505	1.0
138.09160	1.7
139.03897	0.9
139.07538	1.6
140.06938	0.6
140.10687	0.7
142.07794	0.9
145.06500	0.9
145.10130	2.5
147.11671	0.8
148.07582	1.0
149.09590	0.8
150.09152	42.3
151.03911	0.7
151.09436	0.9
153.09171	0.7
155.03423	2.2
155.07059	3.0
155.08446	1.1
157.04924	0.6
157.10153	1.7
159.07964	0.8
165.05461	1.6
166.08650	9.8
168.10223	12.7
173.09663	2.7
175.11160	4.2
182.11850	1.0
183.06578	2.3
184.09683	8.3
189.12807	2.1
191.10655	1.6
196.09705	56.8
197.08087	0.7
197.09964	1.1
201.09142	1.6
205.12239	3.0
207.13863	1.7
208.13394	3.2
209.08099	0.7
210.11340	0.9
215.10716	2.2
217.12262	0.8
219.10260	1.3
222.11293	0.7
223.91501	0.6
224.12846	1.2
232.13400	1.2
233.11726	9.5
234.14888	0.6
250.14154	0.7
251.12866	2.5
278.17575	2.5
304.15552	1.5
306.17078	1.9
308.18561	0.9
310.42023	0.6
318.17093	1.4
333.63055	0.6
339.24997	0.6
350.03546	0.6
358.20007	0.8
360.18082	2.7
390.22760	2.3
396.97256	0.6
402.19183	1.1
416.20691	14.5
417.21359	1.1
434.21774	100.0
435.22137	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	434.2174
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
55.01848	0.6
55.05501	0.3
67.05499	0.9
68.05033	0.2
69.03425	3.5
69.88874	0.6
70.06593	1.5
71.04961	0.8
79.05482	0.5
80.05025	0.9
81.07049	0.4
82.06587	1.1
83.01347	0.9
83.07348	0.5
84.08141	10.6
86.06036	0.3
91.05459	0.5
93.07028	0.4
94.06565	0.4
95.08575	0.5
96.08115	1.4
97.08875	0.2
97.50568	0.2
98.06044	0.3
99.04424	0.6
101.05974	0.2
105.07014	0.8
107.07332	0.3
108.08092	0.9
109.06502	0.2
110.09660	2.1
111.08059	0.5
117.06982	0.4
119.08564	0.4
120.08109	1.1
121.06537	0.4
121.08856	0.2
122.09691	1.3
123.08048	0.3
123.10429	0.3
124.11183	0.2
125.05952	0.5
127.03878	0.3
128.06189	0.3
131.08560	0.8
132.08046	0.4
133.06496	0.4
133.08875	0.3
133.10100	0.3
134.09654	1.7
135.08009	0.3
135.10378	0.5
136.11209	3.3
137.05965	0.3
138.09103	0.5
141.05481	0.2
143.08487	0.5
145.06517	0.3
145.10112	0.3
146.09625	0.4
147.08022	0.2
148.08778	0.3
148.11180	0.5
149.05965	2.9
150.09097	0.7
151.07472	0.2
152.10628	0.3
153.05438	0.4
159.08044	1.0
160.08820	0.6
160.11206	0.5
161.09563	0.6
162.12746	0.8
163.07584	0.3
163.13484	0.5
164.14345	4.4
165.09059	0.2
166.50992	0.2
167.07050	0.5
172.11206	0.3
173.09618	0.3
175.13539	0.3
176.08295	0.6
179.07022	0.4
181.08582	0.5
182.11752	2.4
183.06476	0.4
184.09644	0.4
187.07533	0.5
188.08150	0.2
189.09079	1.7
190.12276	0.8
191.10663	0.7
193.12273	0.2
194.11766	0.3
197.09752	0.2
203.10759	0.4
204.07834	0.7
205.08473	0.3
207.06549	0.5
208.13301	0.3
217.08575	0.6
219.10043	1.0
220.13278	1.6
221.08165	0.2
221.11716	0.3
221.13766	0.2
231.10051	0.3
232.13361	0.2
234.08812	0.4
234.14893	2.8
236.16385	0.3
242.15338	0.3
247.09648	46.1
248.10005	2.6
249.11194	3.5
252.15720	0.2
260.12854	1.0
262.14453	0.7
262.18024	3.8
274.17917	0.4
286.14642	0.2
290.17477	0.2
300.15997	0.3
303.14566	1.5
304.15323	0.3
318.16980	82.0
318.54276	0.2
319.17294	6.6
374.19617	1.8
375.20001	0.3
402.19061	0.9
416.20679	3.5
417.21399	7.5
418.21777	0.7
434.21716	100.0
435.22058	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	434.2175
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
54.94223	0.3
55.01867	0.7
67.05477	0.5
69.03433	2.3
69.29164	1.1
71.04993	12.1
72.16377	0.4
78.93443	0.3
80.05020	0.5
84.53612	0.3
85.02879	0.4
87.52206	0.3
88.31882	0.3
93.07000	0.4
94.06552	0.4
95.04966	0.9
97.02902	0.7
99.04466	0.7
105.07001	0.5
106.06596	0.8
108.08120	0.5
111.08066	3.6
117.02772	0.3
117.07018	0.4
119.08614	0.4
120.08105	1.1
122.09653	0.9
123.04427	1.4
123.73146	0.3
125.05949	0.4
127.03927	0.8
129.05455	3.3
132.08069	0.6
134.09651	13.4
134.25375	0.3
135.10147	0.3
136.11276	0.4
136.17648	0.4
139.07445	0.5
143.08470	0.3
146.09628	0.7
147.10472	0.5
148.11203	0.7
150.09137	0.7
152.10686	0.6
155.06995	0.5
157.06398	0.3
158.09653	0.5
158.85036	0.3
160.11203	0.8
161.12067	0.3
162.09148	5.7
162.12781	6.1
163.13567	4.6
164.10724	0.8
165.05496	0.5
168.10196	0.4
172.11226	0.6
174.12788	0.5
180.10123	1.5
181.26552	0.3
181.60378	0.3
182.11809	1.3
183.06538	1.5
186.12857	0.4
190.12263	4.8
200.10732	0.5
202.12228	0.7
208.11368	0.4
208.13324	6.0
214.12326	0.6
218.11749	2.0
232.13275	3.9
233.14076	4.0
234.14841	0.6
236.12819	3.6
242.15463	0.7
246.14932	1.3
260.16473	11.7
260.19226	0.7
261.16968	1.8
262.17935	1.0
264.16031	0.4
270.14899	0.4
273.51169	0.3
278.17456	3.0
288.16006	1.0
289.16696	0.7
306.16919	5.9
346.16519	0.9
364.17532	3.6
416.20654	15.3
417.21161	1.0
434.21744	100.0
435.16620	0.5
435.22098	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	434.2175
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
55.01869	0.7
62.71135	0.3
67.05503	1.2
69.03426	4.4
69.04539	0.4
69.65784	0.3
69.81219	0.7
70.06602	2.2
71.04988	2.0
79.05490	1.4
79.51973	0.3
80.05017	2.5
81.07052	1.3
82.06564	0.8
83.01335	1.4
84.08145	3.7
85.02928	0.3
85.06564	0.3
86.09720	0.5
91.05455	0.8
93.07037	1.0
94.06573	1.8
95.04975	0.6
95.08591	1.3
96.08118	1.3
97.06522	0.3
99.04484	0.7
105.07033	1.3
106.06568	0.4
107.08576	0.8
108.08130	0.6
109.06506	0.3
109.08957	0.3
110.09682	1.1
111.08083	6.9
115.03925	1.3
117.06999	0.3
119.08612	0.8
120.08109	0.9
121.06476	0.4
121.07629	0.3
121.10097	0.4
122.09675	4.1
123.08075	0.6
123.10453	0.4
124.07607	0.4
124.11199	0.4
125.05976	0.7
127.03912	1.1
131.08574	0.8
132.08130	0.4
134.09656	1.1
135.08026	0.5
136.11205	1.5
137.06020	0.6
138.12753	0.4
139.07553	0.5
143.03392	0.5
143.08527	0.3
148.11177	0.8
149.05962	0.5
150.09157	3.8
151.07536	0.3
151.08650	0.4
152.10686	0.9
155.07106	0.4
159.08057	0.3
160.11150	0.5
161.09572	0.3
162.02948	0.5
162.12790	2.2
164.10637	0.5
164.14311	1.6
167.07076	0.5
168.10190	4.0
173.09608	0.4
176.14397	0.4
177.06682	0.4
177.09128	0.5
180.10246	0.3
181.08672	0.3
182.11806	1.9
184.13370	0.5
187.07582	0.5
188.14406	0.3
189.09094	0.5
190.15938	0.7
195.07593	0.8
197.08031	0.4
198.11214	0.4
204.13809	2.1
205.14172	2.5
208.13329	1.0
209.08054	0.5
218.15498	0.4
219.17484	0.7
220.13318	0.4
234.14909	2.0
236.16420	1.3
245.10286	1.6
247.09669	5.6
247.11867	0.3
248.09767	0.4
249.11235	1.0
260.16629	0.4
261.16867	0.5
262.18057	0.6
280.19156	0.6
292.19052	0.6
303.88556	0.4
308.18597	3.1
318.16974	7.3
319.17499	0.6
322.15106	0.5
336.18054	0.7
344.18539	0.3
358.16464	0.5
360.18082	2.7
361.18048	0.3
388.21170	0.6
389.21432	3.0
416.21051	1.7
417.21423	0.8
434.21716	100.0
435.22290	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	434.2179
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
51.86939	0.6
55.01866	1.2
67.05500	3.0
67.81545	0.6
69.03445	3.0
69.07059	1.3
70.06624	0.6
71.04993	1.6
71.46996	0.6
78.76869	0.6
79.05485	2.6
80.05028	1.5
80.05806	0.8
81.03404	0.7
81.07045	2.2
83.04984	1.8
83.43346	0.5
85.06549	1.2
86.06065	0.9
91.05483	3.6
93.07033	1.9
94.14198	0.5
95.04977	2.6
95.08620	1.0
96.18843	0.5
97.06539	1.3
98.06088	0.7
98.06818	0.6
99.04448	1.8
105.07051	3.1
107.04953	0.8
107.08581	1.5
108.08135	0.7
109.02857	0.7
109.06496	1.5
109.10191	1.0
111.04415	1.3
111.08070	1.1
121.06474	1.0
122.06033	0.7
122.09639	1.5
123.08064	1.1
123.11716	0.7
125.09653	0.8
127.03926	2.3
131.08496	1.0
132.08078	0.7
133.10100	2.7
133.66280	0.6
134.06058	0.9
135.04388	0.8
136.04803	0.9
136.07590	2.0
136.11128	0.6
137.05986	1.8
138.09196	0.6
139.03912	0.5
143.08542	0.7
145.10123	0.6
148.07556	1.6
149.08299	0.6
150.09160	2.1
151.03949	1.0
151.07504	0.7
151.11185	0.7
155.03389	4.7
155.07025	1.8
160.07602	0.9
160.11208	0.7
160.62263	0.6
161.09644	1.4
162.09117	2.0
162.12779	0.7
163.03972	1.4
164.04251	0.8
164.07080	0.8
165.05492	1.5
166.08681	0.6
167.07034	1.4
168.10222	0.6
169.08630	1.0
172.07716	0.6
173.09679	0.7
173.41647	0.6
174.09143	0.8
176.10722	1.9
177.07785	0.9
178.08614	4.3
178.12263	3.1
181.05014	1.7
182.11758	0.9
183.06535	2.9
184.11194	0.7
190.08598	1.0
190.12268	2.6
192.10208	1.8
192.13829	1.3
197.08083	12.0
198.08557	0.8
200.46095	0.6
204.10240	2.1
204.13890	0.9
215.07024	1.0
216.10295	1.2
216.13814	1.0
218.11960	0.6
218.15387	1.9
220.13365	3.5
223.13531	0.7
228.10265	0.5
228.13786	0.9
230.15416	1.0
236.10693	0.8
237.11485	0.6
240.10263	0.7
241.08542	2.7
242.09006	4.4
242.11507	0.8
244.13416	0.7
246.14848	3.6
262.10733	1.2
263.08960	0.7
274.14536	0.6
278.17551	0.6
280.16898	0.9
282.11292	0.9
282.14926	1.2
296.16449	0.8
300.12308	0.8
300.15891	1.2
304.15414	1.7
308.16177	0.6
310.14505	1.2
323.15076	0.6
328.15427	1.4
332.14847	1.8
338.17480	1.1
340.18918	0.9
342.21216	0.8
346.19986	0.8
356.18521	1.9
360.09875	1.4
360.14383	27.7
361.14914	1.4
374.19598	6.8
384.18106	0.8
402.19122	100.0
403.19391	8.3
416.20718	4.1
434.21744	32.1
435.22250	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2175
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
55.01868	2.1
58.06589	0.5
59.04996	0.5
66.84417	0.4
67.05495	2.4
69.03434	3.1
70.06590	2.3
71.04976	1.9
79.05488	2.3
80.05014	1.7
81.07051	1.5
82.06576	1.2
83.01336	1.8
84.08141	2.9
85.02880	0.6
85.06525	0.9
86.06086	0.8
91.05471	1.9
93.05810	0.6
93.07034	1.8
94.06565	1.7
95.04967	1.5
95.08608	1.0
96.08120	1.0
97.02886	0.5
97.06544	0.8
98.22636	1.1
99.04456	1.9
101.06033	0.8
105.07037	2.5
106.06529	1.1
107.08575	0.7
108.08130	1.0
109.06513	1.3
110.09678	1.0
111.08080	2.3
112.07594	0.9
115.03934	0.7
117.07028	1.3
118.06555	0.8
119.04955	0.7
119.08556	1.5
119.71909	0.5
120.08103	1.8
121.06498	1.4
122.09642	3.1
123.04427	0.6
123.08083	0.9
125.05982	1.0
125.35904	0.5
127.03928	2.0
129.06981	0.9
131.08537	1.2
132.08087	0.8
133.06496	1.5
133.10179	0.6
134.09659	3.7
136.07594	0.8
136.11208	1.5
137.05966	2.9
138.09094	0.6
139.07500	0.9
143.08560	0.7
145.06503	0.9
145.10094	1.1
146.05971	0.5
146.09662	0.7
147.07974	0.5
148.07567	1.3
149.06018	1.0
150.09134	2.9
151.03882	1.6
151.07507	1.6
152.10712	1.0
153.05467	0.8
155.03380	1.3
155.07022	1.8
157.10191	0.5
158.09628	0.6
159.08073	1.0
160.11174	0.6
161.05927	0.5
161.09615	0.8
162.09134	1.2
162.12798	2.1
164.14377	2.6
165.05482	2.5
166.08571	0.7
167.07021	0.5
167.93700	0.5
168.10251	2.2
170.09747	0.4
173.05966	0.7
173.09660	0.4
174.09128	1.8
176.10745	0.9
180.10161	2.0
181.08641	0.8
182.11761	3.6
183.06561	6.6
184.13315	1.1
186.09001	0.5
186.12662	0.5
187.07542	0.7
188.10631	0.5
189.09126	1.0
190.08577	0.6
191.10594	0.5
193.08603	0.8
194.11786	0.6
195.07794	0.6
201.09140	1.0
204.10201	0.7
207.06567	1.0
208.13354	1.8
214.08717	0.7
216.10083	0.5
218.11722	0.6
219.17397	0.5
229.08595	0.6
231.10059	0.6
232.09641	1.6
232.13278	0.8
234.14877	1.9
236.16473	2.8
242.65538	0.6
245.10304	1.8
246.14865	1.6
247.09641	1.2
249.11166	0.6
250.10669	3.0
250.14482	0.5
260.12482	0.7
260.16394	0.9
261.11063	0.9
262.17850	0.5
263.09125	0.9
267.12262	0.6
273.11191	1.6
288.12457	0.6
318.16882	0.8
320.18552	2.0
322.15100	1.1
336.18039	1.6
342.16882	0.8
360.18097	4.4
388.21179	1.2
398.15634	0.7
416.20776	5.8
417.20883	0.6
434.16956	17.9
434.22479	100.0
435.17493	1.9
435.22943	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	434.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
58.67647	0.2
67.05489	0.4
68.05007	0.3
69.03431	2.2
69.47469	1.1
70.06594	2.5
71.04987	0.7
79.05491	0.6
80.05005	1.2
81.05779	0.4
81.07058	0.6
82.06580	0.6
83.01336	0.6
84.08138	0.7
87.32890	0.2
91.05475	1.3
93.07046	0.7
94.06569	1.8
95.04979	0.6
95.08619	0.5
96.08119	1.7
97.08918	0.4
97.28928	0.2
99.04426	0.3
105.07018	0.9
105.08806	0.3
107.08604	0.4
108.08101	0.8
109.06506	0.3
109.08856	0.3
110.09673	1.6
117.07021	0.7
119.04918	0.5
119.08569	0.7
120.08093	0.8
121.06517	0.3
121.08913	0.3
122.09657	2.8
124.11236	0.6
125.05970	0.6
128.06189	0.3
129.07060	0.3
130.07782	0.3
131.08568	0.8
132.08054	0.6
133.06410	0.2
134.09645	1.1
135.08044	0.5
136.11198	1.3
137.05965	0.3
138.12836	0.3
145.10124	0.3
146.09665	0.5
147.08046	0.3
148.11211	0.5
149.06055	0.4
150.09167	2.4
151.07568	0.8
152.10706	0.5
153.01823	0.3
153.05460	1.0
154.12250	0.4
159.08067	0.5
160.11240	0.3
162.12744	1.5
163.13542	0.5
164.10739	0.3
164.14362	0.8
168.10271	1.3
173.05946	0.4
176.10696	0.3
179.07008	0.4
182.11722	2.6
183.06526	0.4
184.13312	1.7
187.07590	0.4
189.09070	0.5
190.12314	0.4
190.15915	0.8
203.06932	0.3
208.13347	0.6
217.08772	0.3
220.13237	0.3
232.13455	0.4
234.14845	0.5
236.16449	2.2
240.14046	0.4
241.33685	0.3
246.14876	4.6
247.09648	0.3
254.15651	0.3
256.16037	0.3
258.14639	0.3
260.16528	0.3
262.18054	0.6
263.09131	1.6
264.19675	0.4
265.10602	0.5
284.16656	0.2
300.15881	0.3
302.17401	0.4
306.16882	0.4
320.18530	4.6
328.15424	0.6
334.16574	0.7
340.19434	0.3
342.16995	0.4
344.15036	0.3
346.16458	0.4
360.18033	8.7
360.22473	0.5
361.18356	0.6
376.17471	0.4
398.19733	0.3
402.19492	0.4
416.20624	3.7
417.21216	0.4
434.21713	100.0
435.22034	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	434.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05508	0.4
56.05038	0.6
59.68538	0.3
61.38497	0.4
65.19161	0.4
67.05499	1.5
68.05022	0.5
69.03419	1.9
70.03357	1.0
70.06597	3.9
71.04984	0.4
71.94682	0.3
79.05479	2.3
80.05022	2.1
81.07063	0.9
82.06569	1.1
82.64553	0.3
83.07367	0.5
84.07759	0.3
84.08159	2.4
85.02896	0.4
91.05478	1.5
93.07030	2.0
94.06576	1.7
95.04955	0.5
95.08627	1.0
96.08139	2.0
99.04436	0.6
105.04520	0.3
105.07045	1.3
107.08605	1.4
107.22269	0.4
108.08133	1.1
109.08932	0.4
110.09698	2.2
112.07607	0.4
117.07002	0.5
119.08541	0.6
120.08107	1.1
121.06515	0.6
121.08882	0.4
122.09662	3.5
124.11166	0.8
125.06020	1.8
131.08588	0.9
133.10094	0.4
134.09671	1.2
135.08023	0.5
135.10437	0.7
136.11229	1.4
138.12773	1.1
142.08636	0.5
145.10165	0.9
146.09644	0.6
147.07979	0.5
148.11214	1.0
150.09119	2.3
151.03940	0.4
151.07661	0.5
152.10759	0.5
153.05420	0.4
155.06944	0.3
160.11208	0.7
161.09605	0.5
162.12770	5.8
164.10728	0.4
168.10207	0.9
176.10710	0.5
180.10207	0.9
181.08522	0.4
182.11763	5.3
183.06572	0.6
183.11845	0.4
184.13309	2.0
188.14351	0.5
189.09058	0.5
190.12317	0.4
190.15927	0.5
194.11896	0.4
208.13399	0.7
216.13885	0.4
218.15465	0.6
234.14882	1.4
236.16441	25.0
237.16754	1.1
247.09555	1.7
252.15932	1.7
262.14407	1.0
262.17627	0.6
274.14291	0.3
280.19083	1.3
290.17453	0.4
296.12823	0.3
306.17267	0.6
313.73706	0.3
318.17123	0.7
330.17041	0.5
336.18143	2.0
360.18161	2.0
388.21725	0.4
404.20758	0.7
410.12140	0.3
416.20789	1.3
434.21732	100.0
435.22092	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	434.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
67.05502	0.9
69.03424	1.3
69.74152	0.5
70.06596	1.8
71.04971	0.6
79.05497	0.4
80.05009	0.8
81.07058	0.4
82.06599	0.3
83.01350	1.5
83.04961	0.2
84.08146	1.6
85.02949	0.4
85.95166	0.2
86.06079	0.3
87.73895	0.2
91.05460	0.7
93.07042	0.9
94.06571	0.8
95.04958	0.4
95.08608	2.0
96.08138	0.6
97.02898	0.3
97.85700	0.2
98.23360	0.3
99.04454	0.3
105.07028	1.3
107.08563	0.3
108.08115	0.5
109.08926	0.3
110.09672	0.5
111.08095	0.7
112.07597	0.3
115.03942	1.0
120.08099	0.6
122.09711	1.3
123.04449	0.8
123.08075	0.6
124.11217	0.3
125.05973	0.6
125.09595	0.4
127.03944	0.5
132.43709	0.2
133.06502	1.8
134.09660	1.1
136.11232	1.4
138.09160	0.3
143.03412	0.4
145.04924	0.3
148.11200	0.7
149.11996	0.5
150.09129	1.6
151.07539	0.9
152.10715	0.8
160.11191	0.3
162.09152	0.3
162.12819	0.6
164.14345	4.5
165.05501	0.4
165.07857	0.3
166.08688	0.6
168.10211	0.8
172.11171	0.3
176.14326	3.0
180.10159	0.4
182.11758	5.0
183.06549	1.1
184.11264	0.4
186.12805	0.6
189.09164	0.4
190.15884	0.3
200.14273	0.3
202.12189	0.3
204.10229	0.3
208.13258	0.2
212.10713	0.5
218.11789	0.5
218.15460	0.5
220.13329	0.6
222.14961	0.7
223.25826	0.2
226.12192	0.3
228.13805	0.4
230.11739	1.5
232.13335	0.7
234.14815	0.4
236.16510	0.7
241.13892	0.3
242.15305	0.4
246.14951	1.1
248.12863	0.5
250.14508	0.4
260.16687	0.4
264.15967	1.0
270.18585	0.3
275.18771	1.0
276.12292	1.3
294.13281	0.3
296.16608	0.4
302.13986	0.4
304.15497	0.4
314.17520	0.8
318.17010	0.4
320.18658	0.5
324.16132	0.4
336.18085	1.1
342.16910	0.3
360.17993	1.5
388.21301	2.4
390.22794	0.3
406.22238	1.2
416.20752	6.3
417.20908	0.5
428.91489	0.3
434.21735	100.0
435.22058	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	434.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41764	0.3
55.01863	0.5
67.05513	0.9
69.03435	4.1
69.56274	1.6
70.06589	1.2
71.04989	1.1
79.05500	0.6
80.05011	1.2
81.07040	0.5
82.06593	0.9
83.01345	0.9
84.08140	10.5
86.06088	0.7
91.05472	0.8
94.06580	0.4
95.08636	0.9
96.08121	1.5
99.04459	0.5
99.70637	0.4
103.92857	0.4
105.07049	0.8
106.06527	0.5
106.10942	0.4
108.08138	0.6
109.06544	0.5
110.09689	2.5
111.08098	1.5
117.07015	0.8
119.08607	0.5
120.08109	1.3
122.09667	1.8
127.03934	0.6
131.08517	0.5
133.10176	0.4
134.09668	1.7
135.10471	0.7
136.11234	2.9
138.09157	0.4
145.09982	0.5
149.05998	2.7
150.09137	0.6
151.07478	0.7
152.10666	0.6
159.08089	0.6
160.08952	0.5
160.11188	0.5
161.09578	0.6
162.12830	1.1
163.13493	0.5
164.14339	4.8
167.07072	0.7
168.10181	0.4
175.13702	0.5
176.14418	0.5
179.07069	0.8
182.11674	2.5
184.09772	0.6
188.14455	0.6
189.09128	1.8
190.12277	0.7
191.10709	0.7
192.47157	0.5
194.11758	0.6
204.07826	0.6
207.06514	0.5
208.13359	0.5
217.08611	0.6
219.10164	0.8
220.13344	1.5
234.14940	3.3
236.16434	0.6
247.09651	42.1
248.10074	2.2
249.11307	3.4
260.12888	1.6
262.14401	0.4
262.18060	2.6
262.20596	0.4
263.18423	0.4
290.17395	0.5
303.14456	2.0
308.18436	1.0
318.16986	71.7
319.17313	3.4
360.17828	0.5
374.19589	2.4
377.41403	0.5
383.08890	0.5
402.19095	0.7
416.20535	4.0
417.21408	7.3
418.21713	0.8
434.21674	100.0
435.21988	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	434.2176
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
55.01756	1.2
67.05388	0.8
67.05701	0.6
69.03267	1.4
69.19780	2.9
70.06803	0.8
71.04865	0.8
79.05330	0.8
80.04910	0.6
81.06915	1.1
82.06453	0.9
83.01213	1.0
91.05327	1.3
91.05825	0.6
93.06908	1.1
94.06401	1.2
95.08457	1.2
97.06367	0.8
99.04250	2.1
105.06884	1.0
106.06394	0.7
108.07987	0.7
109.37839	0.6
111.07894	1.8
112.75605	0.6
117.06837	0.8
119.08463	0.7
120.07921	1.5
122.09508	1.2
123.04246	0.6
125.05744	2.3
129.06703	0.9
131.08421	1.1
132.07910	0.9
134.09416	4.1
136.10971	2.6
143.08392	0.9
144.07906	0.7
148.11063	1.4
149.11835	1.2
150.08968	1.2
155.08391	0.6
158.09450	1.4
160.11050	1.2
161.09375	0.6
162.08931	0.8
162.12541	9.9
163.13269	0.8
164.10670	2.8
168.10046	1.0
172.10988	1.9
174.09045	0.7
174.12790	10.6
175.13258	1.6
176.10716	3.2
184.11012	1.1
186.12617	2.2
187.07484	0.7
188.10519	1.6
188.14174	1.6
190.12271	9.3
191.12651	0.8
198.12390	0.6
200.10741	4.4
200.14043	0.9
201.11153	0.7
202.12029	1.6
204.13734	0.9
212.10387	0.7
212.14188	1.1
214.12041	2.0
216.13570	1.7
218.11676	0.9
220.13315	0.7
224.14140	0.7
228.10045	1.0
232.13100	0.9
234.14731	1.1
238.12056	0.9
240.13806	1.1
242.15219	2.0
244.13210	1.0
247.09473	0.7
256.13132	1.0
258.14688	1.3
260.16302	0.8
270.14838	3.2
272.16452	1.2
273.17035	1.6
274.14221	1.7
274.17557	0.8
276.15936	0.6
284.12616	1.4
284.15662	0.7
286.14337	2.8
288.15924	6.5
289.16745	4.0
290.17300	0.9
300.16089	0.8
302.13730	1.7
306.16919	1.1
307.17587	2.2
308.18460	1.0
310.14310	0.7
316.15277	1.1
318.16852	1.8
340.18875	0.9
342.17010	10.4
358.20163	1.0
362.23065	0.6
388.21091	2.0
398.19681	5.2
402.19131	1.7
406.22000	1.3
416.20691	83.8
417.20966	5.9
418.22437	1.1
427.00970	0.6
434.21783	100.0
435.22159	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	434.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64324	1.0
54.98639	0.9
55.01871	8.6
55.05527	1.5
55.10798	0.9
56.96581	1.5
57.03448	1.6
64.80875	0.9
65.56764	1.0
67.05508	6.7
68.05840	1.2
69.03434	4.2
69.07075	2.3
70.06589	6.8
70.61090	2.3
71.04995	6.9
79.05492	5.6
80.05043	2.2
81.03436	4.1
81.07059	8.3
82.06599	2.1
82.07388	1.5
83.01337	2.7
83.05014	0.9
84.08159	3.9
84.96059	1.3
91.05486	4.8
93.07046	6.1
94.06587	2.2
94.07351	1.0
95.04991	2.5
95.08609	14.6
96.08147	3.3
97.06542	8.2
98.98502	2.8
99.04471	6.2
105.07031	5.3
107.04958	1.4
107.08573	1.1
108.08131	3.0
109.06543	2.9
110.09682	22.8
111.08110	6.0
113.06079	1.8
115.04019	1.0
117.07065	1.3
119.08591	1.9
120.08086	2.8
121.06527	4.1
122.09671	9.5
123.08080	5.3
125.05997	13.7
127.03932	3.0
132.08086	1.4
134.09660	4.6
135.08090	1.4
136.07605	2.2
136.11223	3.2
137.05994	4.9
138.09140	73.7
139.09499	1.9
141.09106	7.9
145.10139	1.3
146.09674	1.2
148.11191	6.3
150.09149	5.5
151.07536	3.1
155.03418	5.7
155.04504	1.0
155.07050	2.8
160.11237	2.1
161.02327	1.8
162.09190	1.1
162.12785	2.7
164.14296	1.4
165.05478	3.6
167.07094	1.6
168.10214	2.3
169.08627	6.0
172.11227	1.3
174.12871	1.2
176.10699	9.0
178.08644	1.5
178.12349	1.5
182.11800	1.5
183.06580	7.1
188.10727	3.3
190.12328	4.2
191.10623	1.3
200.10912	1.8
205.05032	1.4
206.11758	1.6
216.10213	1.2
226.11223	3.4
234.11266	11.0
234.14885	1.4
234.40013	0.9
239.02205	1.2
240.75778	0.9
244.12270	1.1
247.09695	3.7
248.12956	1.5
260.16431	2.2
262.18030	1.4
266.13867	14.8
278.17657	2.8
280.18961	1.0
288.16046	3.4
306.16974	32.3
307.17496	2.2
308.18582	3.2
318.17117	5.4
336.26080	3.4
344.15503	2.3
360.17953	1.9
390.16040	1.2
416.20633	1.2
434.15762	28.4
434.21750	100.0
435.16901	1.7
435.22211	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	434.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.2
57.03423	3.5
57.07080	6.4
67.05490	7.9
69.07066	4.0
70.06596	65.9
71.05000	3.0
73.52157	2.5
76.59195	2.3
79.05479	12.1
80.05000	3.1
81.03410	3.4
81.07055	7.9
83.01343	3.1
83.04967	2.9
83.67470	2.3
85.06560	4.6
91.05478	7.0
93.07054	11.6
94.06564	2.8
95.04980	4.8
95.08621	4.0
97.06519	9.4
99.04427	3.7
105.07037	5.2
107.08572	6.8
108.08144	2.6
109.10155	4.1
110.09661	2.9
110.65561	2.6
111.04372	2.7
111.08083	8.0
115.05448	2.7
119.04951	3.0
119.08717	2.2
120.08117	5.0
121.06509	4.9
122.09669	4.2
127.03919	6.7
133.10083	3.4
134.09665	4.7
135.11690	7.5
136.11244	2.9
143.64517	2.6
150.09108	2.9
151.07486	4.1
162.09109	7.9
164.10733	6.7
176.10709	3.0
176.54344	2.5
179.07019	6.4
180.10204	4.7
181.08621	4.6
183.06519	5.0
185.63147	2.7
205.08620	9.2
206.15381	2.6
207.06602	4.0
234.14803	7.0
242.11780	4.8
249.07565	10.8
259.11960	5.5
272.12918	4.7
274.14377	24.7
277.33728	2.2
290.13892	7.6
300.12091	2.9
318.13358	100.0
318.17111	4.8
319.13599	5.0
336.14465	17.5
350.15967	26.5
367.21271	2.5
402.19064	15.0
434.15826	18.8
434.21677	72.0
435.22247	5.8
435.27493	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	434.2177
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
52.34476	0.5
53.03925	0.6
55.01886	1.4
55.05524	2.7
57.03438	1.3
64.76285	0.5
67.05511	4.4
68.05821	0.8
68.25130	0.5
69.03429	2.4
69.07063	1.9
70.06590	0.8
70.49685	0.5
70.50002	0.7
71.01332	0.6
71.04999	1.5
72.71077	0.5
73.02926	1.0
79.05502	4.9
80.05849	1.0
81.03410	1.1
81.07056	4.2
82.07354	0.6
83.01359	0.8
83.04974	1.2
83.08620	1.3
85.02466	0.5
85.02904	2.8
86.06091	0.7
86.10545	0.5
86.84895	0.5
91.05477	5.4
92.05815	1.2
93.07034	5.2
94.06557	0.7
94.07401	1.1
95.04972	4.1
95.08616	2.7
96.08160	0.8
97.10189	1.0
98.90048	0.5
99.04495	1.3
103.05471	2.1
105.04572	0.5
105.07035	5.3
106.07346	0.9
107.04942	3.4
107.08590	2.2
108.05318	0.7
108.08176	0.7
108.08957	0.8
109.06525	2.3
109.10147	0.9
111.08063	1.4
113.02388	0.6
117.07030	1.5
119.04959	0.8
119.08570	1.8
120.08096	0.7
121.06512	11.2
121.07330	0.9
121.10167	1.0
122.06025	0.8
122.09668	0.9
123.08080	1.1
125.09620	1.5
126.09985	0.8
127.03927	1.6
128.06209	0.8
129.06985	1.3
130.07370	0.9
131.03439	0.7
131.04964	1.3
131.08575	2.3
132.08917	1.6
133.06474	1.2
133.10164	1.9
134.06021	0.6
134.09612	0.7
135.08076	2.3
136.07585	1.6
137.06021	1.2
141.01840	1.3
141.05440	0.6
141.07008	0.7
143.08572	1.0
144.09029	0.5
145.06508	1.9
145.10167	1.0
148.07574	1.5
149.08452	0.6
149.09622	0.8
150.06810	1.2
150.09114	2.4
150.12773	0.7
151.07553	2.1
153.09125	0.7
155.03371	2.9
155.07036	1.5
155.08459	0.7
156.08897	0.7
157.09959	0.6
159.08028	0.7
161.09598	0.8
162.09164	2.0
162.12798	0.6
164.14360	0.6
165.05482	2.1
165.09116	9.7
167.07088	1.1
169.08621	0.7
169.10086	0.6
170.10471	0.9
171.11737	0.7
172.11971	0.6
173.09686	1.0
176.07040	0.7
176.10782	1.3
178.08621	5.9
178.12294	2.3
182.11807	0.6
183.06567	2.0
185.13387	0.8
187.07562	0.8
189.09184	0.6
190.08690	1.5
190.12210	1.2
192.10242	1.6
192.13852	0.9
197.08090	10.2
202.12357	1.6
204.10271	1.8
205.08589	0.7
218.15421	2.2
220.13350	4.2
230.15527	0.8
246.14928	2.4
248.16528	0.7
256.13431	0.7
259.13321	16.0
259.16052	1.0
262.10947	1.4
262.14661	0.5
270.11160	0.7
271.13306	1.6
274.14673	0.9
286.14551	0.6
300.16168	0.8
304.15564	1.4
308.16394	1.2
310.14270	1.0
314.13754	0.9
324.20340	2.4
327.11926	0.6
328.15399	1.4
332.15021	1.4
338.17551	1.2
340.19150	1.4
341.21063	1.3
342.21432	9.3
356.18570	1.8
360.14407	27.9
360.22202	1.1
361.14691	2.5
374.19662	6.0
384.17969	1.7
389.21619	0.7
402.19131	100.0
403.19461	7.0
416.20566	0.9
416.25201	4.4
434.21698	24.8
434.26447	7.2
435.22302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.6
55.05544	0.5
56.05053	0.7
67.05529	1.3
68.05052	0.5
69.03458	1.6
69.10402	1.2
69.10820	1.1
70.06631	1.2
71.05032	1.2
79.05540	1.1
79.89267	0.3
80.05053	1.2
81.07092	0.6
82.06612	0.6
83.01381	1.6
84.08194	1.5
91.05520	1.2
93.07063	0.8
94.06621	1.3
95.05033	0.4
95.08657	1.2
96.08187	1.2
97.06561	0.5
98.23444	0.8
99.04462	3.2
105.07079	1.6
106.06580	0.6
110.06071	0.6
110.09732	1.0
111.04507	0.4
111.08128	1.5
115.03940	0.7
117.07060	0.5
119.08620	0.6
120.08175	1.6
121.06586	0.6
122.09673	2.4
123.08131	1.0
124.07652	0.4
125.06059	1.3
127.03960	0.8
129.07080	0.4
131.08623	0.5
132.08109	0.7
133.06557	0.5
133.10233	0.4
134.09647	4.6
135.08080	0.6
136.07637	0.4
136.11211	3.4
144.08138	0.6
145.09097	0.4
145.10208	1.0
146.09683	0.8
147.08119	0.6
148.11165	1.9
149.12094	1.3
150.09125	3.1
158.09708	1.0
160.11240	1.8
162.09218	0.9
162.12773	11.4
162.14055	0.7
164.10730	2.5
164.14343	0.5
165.11543	0.4
166.08632	0.8
168.10297	1.0
169.87439	0.4
170.09822	0.4
172.11208	2.2
172.96484	0.4
173.09756	0.5
173.11963	0.5
174.09206	0.9
174.12779	12.4
175.13524	2.0
176.10696	3.6
176.14265	0.5
180.10320	0.5
181.08781	0.4
182.11879	0.8
183.06598	0.6
184.09894	0.5
184.11342	1.0
186.09164	0.6
186.12819	2.0
187.13525	0.7
188.10803	1.8
188.14394	2.0
190.12274	9.1
190.13850	0.7
191.12781	0.5
196.09778	2.1
196.11339	0.5
198.12860	1.2
200.10733	4.5
200.14449	0.7
201.11418	0.7
202.12357	1.6
204.13873	1.1
205.12115	0.4
205.14597	0.6
209.11897	0.5
212.10883	0.5
212.14359	0.6
214.12366	1.6
214.15889	0.5
215.12842	0.4
216.13733	1.9
218.11777	0.8
218.15398	0.8
222.14940	0.4
224.14366	0.8
226.12308	0.6
228.10300	1.0
228.13774	0.6
230.11885	0.9
230.15565	0.5
232.13425	0.7
234.14935	0.9
238.12370	0.7
240.13892	1.3
242.15388	2.2
244.13461	1.0
244.17009	0.4
245.10464	1.1
246.14973	0.7
247.09695	0.6
249.11183	0.6
252.13777	0.5
253.53780	0.4
256.13483	1.0
258.15024	1.5
260.13211	0.4
260.16510	0.9
264.13959	0.6
268.13153	0.8
270.14917	3.0
272.13669	0.5
272.16287	2.3
273.17331	1.5
274.14462	2.0
274.18054	1.4
276.16058	0.7
278.17758	0.7
280.15671	0.4
282.14969	0.7
284.12933	2.0
284.16135	0.5
286.14246	2.1
287.12518	0.7
288.15952	6.5
289.16687	5.3
290.17435	1.6
292.19299	0.5
296.12848	0.5
296.16211	0.4
297.13525	0.4
300.15988	0.4
302.13815	2.7
304.15527	0.6
306.17032	1.8
307.17743	2.6
308.18549	0.8
310.14432	1.2
316.15604	1.3
318.17020	1.5
330.21307	0.4
340.19171	1.0
342.16989	14.0
343.17099	0.9
358.20309	0.6
360.18097	0.8
370.20090	1.4
372.21735	0.8
374.19504	0.6
388.20963	2.1
390.22833	0.9
398.19626	5.8
399.19647	0.5
402.19424	0.7
406.22284	2.2
416.20667	82.9
417.21027	6.5
434.21722	100.0
435.22141	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18034	0.7
55.05502	2.0
55.71493	0.8
57.03424	1.2
57.07064	1.3
64.98223	0.6
67.05496	4.0
69.03436	7.7
69.07059	3.4
69.29217	4.7
70.06567	1.8
71.04996	1.6
75.04468	2.0
76.04821	0.7
77.68919	0.9
79.05482	3.1
80.05010	3.0
81.03403	1.1
81.07060	6.2
82.06564	2.7
83.01332	1.5
83.08602	1.1
84.08129	3.9
85.02895	7.3
91.05482	4.8
93.07037	5.8
94.06561	2.0
95.04960	1.0
95.08586	7.8
96.08126	1.1
97.02842	1.6
97.06520	0.8
99.04401	1.0
105.07031	9.3
107.04929	1.1
107.08611	7.7
108.08099	1.8
109.10139	5.2
110.09647	1.9
111.08069	4.9
113.09644	1.0
115.03928	0.8
117.07018	3.8
119.08583	15.0
120.08089	1.1
121.06496	0.9
121.10142	5.1
122.09673	3.4
123.04405	0.9
123.08073	2.1
123.11675	2.0
124.07555	0.9
125.09695	1.0
127.03913	1.9
129.07030	1.2
131.08572	9.6
133.10094	5.9
134.09688	1.8
135.11708	5.9
136.11172	1.2
143.03302	0.9
143.08531	2.2
145.04926	1.7
145.10121	41.4
146.10492	1.0
147.08011	0.8
147.11644	4.1
148.07603	0.9
149.05969	1.3
149.13254	1.0
150.09146	2.5
157.10112	1.7
158.10864	0.8
159.11705	9.3
161.13257	2.3
162.12750	0.8
163.06050	2.5
163.11143	1.5
164.14348	3.2
167.07047	2.4
168.10176	1.8
173.13304	3.1
175.14841	4.9
177.12779	2.4
179.06909	0.9
181.04930	3.9
182.11739	2.8
189.09201	1.4
191.17958	4.4
201.16382	41.6
202.16721	1.9
208.13353	1.2
209.08067	1.1
219.17445	23.8
233.08110	2.4
234.14856	1.5
236.16527	1.6
237.18491	5.4
245.10443	1.7
247.09621	11.0
249.11201	2.0
287.05542	3.6
288.05835	9.7
289.17377	0.8
308.18610	1.7
318.16992	17.7
319.17410	1.0
358.16583	1.7
360.18088	2.4
363.21484	1.1
374.18457	2.5
375.38568	0.8
381.22812	1.6
416.20795	4.0
417.15369	1.4
417.21274	1.3
418.21841	0.8
434.21686	100.0
435.22287	8.9
435.27472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.95815	0.2
53.03937	0.3
55.01849	0.6
55.05499	0.5
57.03418	0.7
59.38181	0.2
61.02922	1.7
63.26462	0.2
65.03924	0.4
67.05472	1.0
67.05798	0.3
68.99786	0.4
69.03428	3.1
70.06574	0.9
70.94847	0.2
71.01324	0.6
71.04973	0.8
71.44075	0.2
73.02915	13.0
79.05477	1.0
80.05002	0.7
81.03376	0.5
81.07034	0.8
82.06563	0.4
83.01329	0.3
83.08591	0.3
84.08126	0.6
85.02899	1.2
85.06524	0.3
87.04439	0.3
91.05473	0.7
93.03361	0.4
93.07029	0.7
94.06551	0.7
95.04943	0.8
95.07325	0.3
95.08602	0.4
96.08131	0.6
97.02901	0.7
97.08879	0.3
98.60656	0.2
99.04455	0.3
105.01846	0.2
105.03346	0.3
105.07013	1.1
106.06551	0.3
106.07307	0.2
107.04930	1.4
107.08569	0.6
108.08125	0.4
109.02879	0.8
109.06524	0.4
110.09669	0.6
111.00791	1.0
111.08055	0.2
115.03921	1.2
115.05440	0.3
117.06995	0.6
119.04892	0.2
119.08544	0.5
120.08067	0.6
121.02884	1.3
121.06435	0.3
121.10208	0.3
122.09652	0.9
123.04421	0.4
123.10475	0.2
123.11681	0.3
125.05949	0.4
127.03896	0.7
129.07022	0.3
131.04938	0.3
131.08553	0.4
132.08980	0.2
133.10117	0.8
134.09641	1.3
135.04417	0.4
135.10002	0.3
136.11192	0.4
137.02325	3.4
137.05992	0.3
137.09621	0.2
138.09056	0.5
138.12743	0.3
143.08577	0.3
143.10710	0.3
145.06514	0.6
145.10078	0.3
146.09583	0.5
147.04411	0.3
148.07512	0.3
149.02339	0.5
149.05943	0.6
150.09129	1.0
151.07536	0.2
152.10695	0.3
153.01826	3.9
153.05479	0.4
161.05917	0.8
162.12724	0.4
163.03850	0.5
164.14362	0.5
165.01851	2.3
165.05467	0.3
167.07050	2.8
168.10201	0.6
171.06454	0.2
173.05952	1.0
176.08414	0.3
178.15504	0.2
181.04956	1.9
181.06302	0.4
181.08580	0.3
182.09009	0.3
182.11740	0.9
183.02884	0.9
183.04401	0.3
183.06474	0.4
184.13298	0.4
187.07486	0.4
189.05423	0.3
189.09058	0.3
201.05461	1.9
205.05078	0.3
205.08650	0.4
207.02827	0.3
208.13268	1.2
209.13620	0.5
217.08704	0.4
218.05745	0.3
219.06456	0.6
219.17496	0.4
220.13286	0.3
221.07985	0.4
228.04201	0.3
229.04974	4.2
230.05403	0.4
233.08035	2.0
235.09584	0.4
236.16350	0.5
237.18655	0.3
238.74474	0.2
239.03587	0.2
246.14899	1.2
247.05943	0.6
247.09659	2.5
248.09886	1.2
249.11229	1.4
250.11458	0.3
251.09058	0.3
257.04437	2.8
258.05215	0.3
263.09235	0.6
273.11160	0.5
274.04678	0.7
276.16196	0.3
277.16275	0.3
278.16614	1.0
279.16711	0.3
284.12775	0.5
285.03864	1.1
303.04974	100.0
304.05316	5.6
305.15567	0.5
306.16156	0.7
307.16055	0.3
318.16934	1.7
319.17310	1.4
320.18622	0.7
329.15540	0.3
344.18542	1.0
358.16528	0.7
359.16760	0.6
402.18661	0.4
404.20712	0.3
416.20764	1.1
417.15381	3.0
417.21085	2.3
418.22260	2.6
419.22397	0.5
425.73328	0.3
426.22488	0.4
434.21597	8.7
434.73676	0.7
435.22031	17.9
436.23474	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1265
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
60.17669	0.3
64.51131	0.3
64.91923	0.3
69.03425	1.2
70.06592	0.5
70.16247	1.1
71.04988	0.6
79.05476	0.5
80.05001	0.4
83.01313	0.5
84.08143	0.5
87.14362	0.3
91.05447	0.4
95.04923	0.5
98.97586	0.4
103.61146	0.4
111.08080	1.6
122.09678	0.7
127.00037	0.5
127.03956	0.5
136.11211	0.5
138.01602	0.4
149.06023	0.4
150.09195	0.8
151.07504	0.5
184.13412	0.5
185.04256	0.5
186.06630	1.1
187.07384	1.0
211.20645	0.4
218.84532	0.3
227.05293	1.6
234.14987	0.5
235.15038	0.5
247.09645	1.7
248.10025	1.3
271.04257	2.5
309.18903	0.5
318.16974	2.2
319.17303	2.7
349.12460	3.7
350.13385	0.4
361.18433	0.7
373.12482	1.1
391.13623	35.5
392.13992	1.5
417.21057	0.5
434.21689	10.2
435.12643	100.0
435.21597	17.5
436.13000	5.5
436.23129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.04701	0.5
55.01875	0.8
55.05516	0.7
57.03418	1.0
57.14371	0.6
65.03940	7.6
66.15413	0.6
67.05505	3.1
69.03436	5.7
69.07058	1.0
69.38957	3.3
71.04987	2.2
77.03933	0.6
79.05487	8.0
79.54626	0.6
81.03425	5.1
81.07069	4.1
82.04195	2.4
83.04968	0.9
85.02919	6.6
87.00839	0.7
91.05481	3.6
93.03419	3.0
93.07032	2.3
95.04974	5.6
95.08596	1.2
97.02898	1.9
97.06533	3.2
98.23460	1.4
105.01861	1.2
105.07032	2.4
106.04185	0.8
107.04958	17.6
107.08600	2.3
108.02084	1.3
109.02833	1.1
109.06494	1.3
109.10162	0.7
110.03664	3.8
111.04462	1.0
111.08097	1.0
115.03944	1.4
115.05451	4.5
116.06228	1.1
117.07038	5.3
119.08554	1.2
121.04071	0.6
121.06485	1.3
121.10101	1.1
123.00758	0.7
123.04404	2.8
124.05206	3.3
125.05977	2.8
127.03940	5.1
128.06210	1.4
129.06998	1.9
131.04921	1.5
131.08553	2.6
133.06480	2.2
133.10097	0.9
135.11679	2.9
137.05949	1.7
138.03087	2.6
141.06995	1.9
142.02591	1.1
143.04901	1.0
144.05710	4.4
145.06480	7.5
146.06827	0.7
147.04436	0.8
147.11748	0.6
149.06007	0.9
151.03813	0.7
152.04675	1.8
153.05478	6.4
153.12721	7.4
155.04889	1.4
155.06041	2.2
157.06512	2.5
159.04448	0.7
159.08046	2.6
161.05995	5.3
167.07036	49.0
168.07336	1.5
169.07570	0.7
171.06577	6.4
172.05194	7.8
173.05980	5.4
174.06746	0.7
175.07553	2.5
176.08249	0.8
177.09077	1.8
181.04955	100.0
182.05301	4.2
183.06544	0.8
185.05978	1.1
187.07503	7.7
189.05408	3.7
190.06203	1.4
191.07030	1.5
191.10681	2.8
193.04907	0.7
195.06519	2.9
200.04662	3.0
201.05473	7.0
203.06992	1.2
205.08578	5.1
206.05760	2.0
217.08493	1.6
218.05679	4.3
219.06458	1.1
219.10088	6.7
221.08029	5.5
233.08083	51.1
234.08559	3.1
235.07497	1.2
235.09657	2.3
245.08113	2.4
247.07578	1.0
251.09180	4.7
263.06790	0.9
263.09201	12.5
264.07602	0.9
276.07623	0.7
277.08517	1.1
279.06674	0.8
279.10065	1.2
292.07230	0.7
293.08029	0.7
295.09604	1.4
306.13306	0.7
307.09592	1.4
309.07547	1.0
324.09933	0.7
325.10760	0.7
335.09100	1.0
339.12204	1.4
344.12439	0.9
355.11859	3.3
367.11746	2.4
368.12320	1.0
371.14908	1.6
372.12170	1.1
381.13190	2.0
387.14291	10.2
388.14536	0.8
399.14481	7.0
405.15607	1.3
417.15448	28.5
418.15521	1.3
435.21948	2.4
436.19434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1649
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03939	1.9
55.01874	1.5
64.20547	1.0
65.03935	5.8
66.99734	1.0
67.05501	3.0
69.03429	2.6
69.07069	1.1
77.03928	1.9
79.05487	13.0
81.03430	2.8
81.07051	3.2
82.04189	3.1
85.02912	6.5
87.00819	1.1
91.05495	2.4
93.03403	2.0
93.07047	3.6
95.04991	6.0
95.08566	1.6
97.02889	2.5
97.06532	2.6
103.05461	1.3
105.07034	2.0
107.04958	35.0
107.05684	1.7
107.08604	2.9
108.02092	1.3
109.06539	1.2
110.03673	2.6
110.64337	1.1
111.04438	1.6
115.05457	5.0
116.06303	1.3
116.93447	1.1
117.06995	7.4
119.08617	1.6
121.06510	1.5
123.04426	3.4
124.05220	4.4
125.06005	3.4
127.03883	1.9
128.06195	1.8
129.07025	3.5
131.04956	2.1
131.08575	1.8
133.06520	4.1
135.11673	3.1
137.05971	1.8
138.03122	2.6
141.07076	1.5
143.04893	1.7
144.05728	3.6
145.06499	14.2
147.04388	2.1
147.08083	2.5
149.05998	1.3
151.03865	1.5
152.04686	3.0
153.05466	7.0
153.12700	2.1
155.04893	2.0
155.06046	5.5
156.05675	1.7
157.06477	4.3
159.08051	2.7
160.05203	1.5
161.05974	12.0
167.07042	100.0
168.07361	5.3
171.04424	1.6
171.06543	3.4
172.05171	6.9
173.06000	9.3
175.03934	1.1
175.07571	3.4
177.05408	1.2
181.04956	86.7
182.05342	3.0
185.06039	2.3
186.03281	1.4
187.07523	6.3
189.05455	5.5
190.06245	5.0
191.07031	1.3
191.10588	2.4
195.06444	1.6
197.23520	1.3
200.04709	2.4
201.05478	11.8
202.06297	1.3
203.03439	1.5
203.07059	3.7
205.08603	10.5
206.05742	1.6
207.08070	1.2
207.10132	1.8
213.05449	2.0
217.08611	3.5
218.05681	11.5
219.06444	3.6
219.08350	1.4
219.10208	3.2
221.08052	13.6
231.06526	1.5
233.08083	68.1
234.08434	2.0
235.07549	1.9
235.09596	9.9
238.38039	1.1
245.08090	4.0
247.07552	1.9
251.09135	10.8
252.04066	1.3
253.11700	1.1
263.09296	12.2
264.07721	1.6
265.08801	1.2
270.05246	1.6
279.10306	1.9
280.07306	2.2
281.10233	1.9
291.06564	1.3
292.07114	1.7
295.09482	1.5
305.08151	1.4
307.09601	2.4
309.07758	1.5
323.09167	2.3
331.08179	4.4
337.10837	1.1
339.12167	2.4
341.10211	1.5
346.10355	2.4
350.65680	1.2
353.10056	1.3
355.11737	2.5
367.11749	5.4
368.12109	1.2
371.14886	2.4
381.13217	1.6
384.12109	1.9
387.14328	7.4
388.14932	1.4
399.14328	6.8
405.15363	1.8
417.15430	73.1
418.15875	4.9
435.22403	6.0
437.26556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.04701	0.5
55.01875	0.8
55.05516	0.7
57.03418	1.0
57.14371	0.6
65.03940	7.6
66.15413	0.6
67.05505	3.1
69.03436	5.7
69.07058	1.0
69.38957	3.3
71.04987	2.2
77.03933	0.6
79.05487	8.0
79.54626	0.6
81.03425	5.1
81.07069	4.1
82.04195	2.4
83.04968	0.9
85.02919	6.6
87.00839	0.7
91.05481	3.6
93.03419	3.0
93.07032	2.3
95.04974	5.6
95.08596	1.2
97.02898	1.9
97.06533	3.2
98.23460	1.4
105.01861	1.2
105.07032	2.4
106.04185	0.8
107.04958	17.6
107.08600	2.3
108.02084	1.3
109.02833	1.1
109.06494	1.3
109.10162	0.7
110.03664	3.8
111.04462	1.0
111.08097	1.0
115.03944	1.4
115.05451	4.5
116.06228	1.1
117.07038	5.3
119.08554	1.2
121.04071	0.6
121.06485	1.3
121.10101	1.1
123.00758	0.7
123.04404	2.8
124.05206	3.3
125.05977	2.8
127.03940	5.1
128.06210	1.4
129.06998	1.9
131.04921	1.5
131.08553	2.6
133.06480	2.2
133.10097	0.9
135.11679	2.9
137.05949	1.7
138.03087	2.6
141.06995	1.9
142.02591	1.1
143.04901	1.0
144.05710	4.4
145.06480	7.5
146.06827	0.7
147.04436	0.8
147.11748	0.6
149.06007	0.9
151.03813	0.7
152.04675	1.8
153.05478	6.4
153.12721	7.4
155.04889	1.4
155.06041	2.2
157.06512	2.5
159.04448	0.7
159.08046	2.6
161.05995	5.3
167.07036	49.0
168.07336	1.5
169.07570	0.7
171.06577	6.4
172.05194	7.8
173.05980	5.4
174.06746	0.7
175.07553	2.5
176.08249	0.8
177.09077	1.8
181.04955	100.0
182.05301	4.2
183.06544	0.8
185.05978	1.1
187.07503	7.7
189.05408	3.7
190.06203	1.4
191.07030	1.5
191.10681	2.8
193.04907	0.7
195.06519	2.9
200.04662	3.0
201.05473	7.0
203.06992	1.2
205.08578	5.1
206.05760	2.0
217.08493	1.6
218.05679	4.3
219.06458	1.1
219.10088	6.7
221.08029	5.5
233.08083	51.1
234.08559	3.1
235.07497	1.2
235.09657	2.3
245.08113	2.4
247.07578	1.0
251.09180	4.7
263.06790	0.9
263.09201	12.5
264.07602	0.9
276.07623	0.7
277.08517	1.1
279.06674	0.8
279.10065	1.2
292.07230	0.7
293.08029	0.7
295.09604	1.4
306.13306	0.7
307.09592	1.4
309.07547	1.0
324.09933	0.7
325.10760	0.7
335.09100	1.0
339.12204	1.4
344.12439	0.9
355.11859	3.3
367.11746	2.4
368.12320	1.0
371.14908	1.6
372.12170	1.1
381.13190	2.0
387.14291	10.2
388.14536	0.8
399.14481	7.0
405.15607	1.3
417.15448	28.5
418.15521	1.3
435.21948	2.4
436.19434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.251
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05510	18.3
57.03443	11.7
57.07077	6.5
65.03917	1.3
67.05501	41.3
67.62267	1.1
69.07063	21.0
69.53454	5.9
70.06579	1.4
71.08624	2.7
77.91754	1.1
79.05489	10.4
81.07053	41.5
83.04977	1.5
83.08621	13.4
86.47473	1.3
88.07605	1.6
91.05493	7.9
93.07041	11.2
95.08020	2.5
95.08603	36.7
97.06527	3.2
97.10175	6.4
98.98464	46.9
105.07032	7.4
107.08595	8.2
109.06561	1.6
109.10153	17.7
111.08099	1.6
111.11655	2.1
112.12070	1.4
113.46451	1.1
119.08560	5.4
121.10158	6.9
123.08081	2.3
123.11710	6.4
129.85451	1.3
133.10127	6.4
135.11665	4.4
137.13245	3.5
147.11655	4.5
149.13239	4.4
151.14816	3.0
155.01025	23.7
161.13315	2.4
162.03117	2.0
163.14778	1.8
165.16357	1.5
173.02043	8.3
175.14835	2.6
177.16286	1.8
181.15918	1.3
184.04398	1.8
211.16531	1.3
229.09587	1.3
243.62836	1.2
245.22644	10.6
263.23715	18.2
282.89542	1.3
320.67670	2.9
337.27350	100.0
338.27576	6.8
418.22369	2.1
435.22327	10.6
435.29852	3.7
436.23474	7.0
455.73727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03362	0.9
53.03943	1.4
55.01884	1.6
55.05259	1.4
55.05511	17.6
57.03439	11.2
57.07074	4.1
63.54394	0.9
65.03951	1.7
67.05506	43.4
69.03442	0.9
69.07069	21.4
69.37565	4.5
71.04987	1.4
71.08642	2.6
72.56451	1.0
78.67978	0.8
78.94987	0.8
79.05490	11.7
81.03428	0.9
81.07058	47.8
83.04969	1.0
83.08622	13.0
85.06540	1.2
91.05470	7.9
93.07043	12.8
95.04976	1.7
95.08607	36.1
97.06540	2.5
97.10174	7.9
98.23463	1.4
98.98468	53.4
99.08111	1.8
105.07030	6.3
107.08575	6.3
109.06490	1.0
109.10164	17.2
111.08056	1.5
111.11732	1.5
119.08555	5.3
121.10110	6.5
122.10502	0.9
123.11708	7.8
125.09637	1.2
127.11156	0.8
133.10127	5.3
135.11696	4.8
137.09656	1.2
137.13257	4.1
139.11223	0.9
142.86143	0.8
147.11742	4.8
147.12738	0.8
149.13274	3.8
151.11223	1.1
151.14774	1.6
155.01048	26.8
155.02303	1.7
161.13280	4.6
163.14799	2.6
165.16364	1.8
169.14424	0.9
173.02148	10.0
175.14877	2.5
189.16386	1.1
245.22633	10.1
249.11705	0.9
263.23706	23.4
264.24100	1.3
268.79721	0.9
309.29599	1.0
337.27368	100.0
338.27747	5.9
435.22348	2.6
435.29764	1.4
436.23230	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.01896	2.0
55.05507	17.0
55.63063	1.8
57.03433	8.2
57.07068	6.4
65.03954	2.5
67.05159	4.1
67.05506	59.4
69.07062	20.3
69.24815	3.7
69.25225	6.4
71.04955	1.8
71.08647	3.9
79.05492	18.7
81.07058	70.3
82.07375	2.5
83.05041	2.4
83.08625	13.5
91.05486	12.1
93.07059	19.5
95.04944	3.0
95.08603	61.3
97.06509	4.3
97.10180	8.2
98.98469	100.0
99.08113	2.4
105.07058	9.0
107.08585	8.9
109.10165	28.4
111.08064	3.6
113.09695	2.1
116.07056	2.4
119.08570	8.1
121.10144	12.0
123.11714	13.2
133.03461	2.4
133.10110	10.9
135.11674	7.3
137.09673	2.3
137.13260	7.7
147.11662	4.6
149.13260	6.7
151.11284	1.9
151.14836	5.8
155.01042	87.2
161.13260	8.1
163.14790	5.5
165.16425	5.0
173.02127	12.1
175.04565	2.6
175.14838	6.4
214.56488	1.7
245.22630	22.2
246.23088	2.0
248.65524	1.9
263.23700	59.1
264.23868	3.4
298.12985	2.1
299.46927	2.1
337.27359	72.1
338.27820	3.7
358.89346	1.8
388.67429	1.8
397.09018	1.9
435.22241	11.4
436.23486	4.7
436.98776	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	435.3473
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01863	0.7
55.05514	0.8
58.42743	0.5
69.07061	0.8
69.82458	0.6
69.82797	1.4
83.08624	0.5
84.34174	0.5
86.75374	0.5
89.06047	0.9
95.08588	0.8
98.22749	1.0
99.00808	0.7
99.04461	4.2
111.04415	2.3
122.64935	0.6
125.05987	9.6
141.05466	6.8
153.05467	100.0
154.05794	2.9
167.07072	0.9
320.19452	0.5
337.27219	0.6
417.33652	11.3
418.33835	0.8
435.22406	3.3
435.34686	43.0
436.23322	0.5
436.35135	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	436.197
Annotation	Neoxaline
Peak:m/z	Relative Intensity
55.01879	0.6
55.05497	0.5
60.04517	0.3
65.03952	0.3
67.05503	1.5
67.49452	0.3
69.03429	2.4
70.14296	0.4
70.14600	0.6
71.04984	1.1
79.05505	1.2
80.05003	0.8
81.07063	0.4
81.88979	0.3
83.01341	0.7
83.04988	0.6
84.04547	0.4
85.06544	0.6
91.05486	1.6
93.07050	0.7
94.06575	0.4
95.04954	0.6
97.06551	0.4
98.22773	0.3
105.07047	1.2
106.06569	2.4
107.04949	0.7
107.08596	0.4
108.08092	0.3
112.07649	0.3
115.05460	0.7
115.60573	0.3
117.07014	1.1
118.06525	0.3
119.08565	0.4
120.08102	0.4
122.09657	0.4
123.08051	0.3
125.02337	0.4
128.06223	0.8
129.07019	1.2
130.06528	0.9
131.08566	0.5
133.06544	0.6
134.09679	1.0
135.04495	0.5
135.08018	0.3
136.07634	0.4
137.05986	0.6
138.10168	0.2
139.03908	0.9
143.08598	0.9
144.08083	0.4
145.06508	1.3
145.96188	0.3
147.08099	0.4
149.05984	0.3
150.09113	0.3
151.03841	0.4
151.07500	0.4
152.10695	0.7
153.01816	0.9
153.05458	0.8
153.07007	0.3
154.07726	0.4
155.08559	0.9
157.06474	0.4
157.10150	0.4
160.07594	0.3
161.05994	0.5
162.09070	0.3
165.05482	0.9
165.06871	0.3
165.60481	0.3
168.10185	0.3
170.11771	0.8
171.08034	1.3
172.11234	0.8
173.05936	0.5
175.03880	0.3
175.07574	0.6
177.05492	0.4
179.08496	0.3
183.08070	0.7
184.05098	0.4
185.09663	0.4
187.07544	0.5
189.05522	0.3
190.12234	0.4
193.04964	1.4
195.08070	0.3
197.09648	0.3
198.06834	0.4
199.07587	1.2
200.10745	0.3
203.07057	0.3
205.04907	0.4
205.08472	0.3
211.07631	0.3
213.09071	0.5
215.10561	0.4
217.08553	0.6
218.11795	1.0
231.10202	0.5
236.12730	1.4
243.10164	0.3
245.08105	1.4
246.08742	0.3
277.10629	1.5
279.08780	0.9
289.10654	1.4
295.12997	0.3
312.12479	0.3
400.17563	0.4
418.18442	0.3
436.19672	100.0
437.10541	1.0
437.19980	8.3
446.07538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1968
Annotation	Neoxaline
Peak:m/z	Relative Intensity
53.03928	0.5
55.01867	1.4
55.05505	0.8
65.03909	0.4
67.05510	1.4
69.03429	3.2
71.04989	1.3
77.03925	0.3
79.05490	1.8
80.05037	1.0
81.07044	0.5
83.01357	0.8
83.04983	0.8
84.04496	0.4
85.06567	0.7
91.05486	2.0
93.03426	0.4
93.07043	0.9
95.04982	1.0
95.08615	0.4
97.06519	0.5
98.23516	0.8
99.04408	0.4
101.06024	0.4
105.07026	1.7
106.06570	3.1
107.04958	1.2
107.08627	0.4
109.06522	0.9
110.06020	0.4
112.07616	0.4
113.06029	0.5
115.05421	0.6
117.07038	1.4
118.06581	0.5
119.04988	0.5
119.08573	0.7
120.08073	0.8
121.02922	0.3
121.06447	0.5
122.09708	0.4
125.02371	0.6
128.06245	1.2
129.07008	1.2
130.06544	0.9
131.08553	0.7
132.08142	0.4
133.06506	0.8
134.09650	1.5
135.08046	0.5
137.05968	0.7
139.03885	0.9
141.07025	0.6
143.08502	1.7
144.08076	0.4
145.06494	1.3
146.05983	0.4
146.09560	0.4
147.08078	0.5
148.07556	0.4
150.09113	0.5
151.07544	1.6
152.10722	0.8
153.01825	0.8
153.05470	1.1
153.06935	0.8
155.06056	0.4
155.08603	0.9
157.06541	0.5
159.08102	0.5
161.09637	0.5
162.09186	0.4
165.05469	1.1
165.06891	0.4
170.11781	0.7
171.08061	1.5
172.11134	0.9
173.05998	0.6
175.07552	0.5
175.63617	0.4
177.05411	0.5
177.09068	0.4
179.10800	0.6
182.09720	0.4
183.08052	1.0
185.05975	0.3
185.09624	0.8
187.07518	0.4
189.09155	0.6
190.12244	0.5
193.04900	1.6
197.09677	0.4
199.07578	0.8
200.10730	0.4
205.04980	0.6
210.09096	0.3
211.07535	0.4
213.09108	0.3
215.06963	0.4
215.10851	0.4
217.08647	0.5
218.11821	1.5
219.06564	0.6
227.07011	0.6
229.04970	0.4
236.12819	9.4
243.10344	0.4
245.08151	2.0
277.10764	1.8
279.08725	0.5
281.85034	0.4
289.10672	1.4
418.18683	1.6
436.19666	100.0
437.20007	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	436.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05513	0.6
63.28117	0.3
67.05519	2.2
69.03436	2.6
69.58727	1.3
71.04980	0.6
79.05488	1.4
80.05031	0.9
81.07067	0.7
83.01315	0.5
83.04991	0.7
84.04522	0.5
85.06539	1.1
91.05499	1.2
93.07020	1.0
94.06564	0.6
95.04971	1.0
97.06576	0.4
104.08153	0.4
105.07020	0.9
106.06560	3.7
107.04939	0.8
107.08590	0.9
110.06026	0.6
111.04425	0.4
112.07603	0.7
115.05450	0.4
117.07027	1.0
118.06557	0.7
119.08553	0.6
120.08096	0.7
122.06017	0.8
126.09125	2.0
128.06255	0.7
129.06998	1.3
130.06532	0.5
131.08583	0.5
133.06474	0.8
134.09666	1.6
135.08034	0.6
137.06009	1.0
139.03903	0.9
141.07016	0.5
143.08572	1.3
144.08025	0.4
145.06497	1.4
148.11229	0.4
150.09180	0.7
151.07510	1.0
152.10712	0.5
153.01839	1.2
153.05496	0.8
155.08510	1.0
157.06505	0.8
160.07610	0.4
161.06003	0.4
161.09668	0.5
162.09135	0.4
165.05501	1.0
166.08688	0.4
170.52971	0.4
171.08040	1.2
172.11252	0.7
173.05905	0.5
175.07671	0.7
177.05580	0.5
178.12303	0.5
179.10779	0.5
181.04935	0.6
183.08063	0.5
185.05962	0.6
187.07637	0.4
190.12303	0.5
193.04965	1.1
200.10680	0.7
203.07059	0.4
205.04967	0.5
215.10616	0.5
215.98210	0.4
217.08644	0.4
218.11766	1.5
219.06627	0.9
229.08684	0.6
236.12796	6.1
245.08116	1.6
277.10760	1.1
279.08603	0.4
289.10684	0.8
400.17599	0.7
418.18597	5.4
436.19669	100.0
437.19974	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	436.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05498	0.8
60.04517	0.6
67.05510	2.0
69.03424	2.8
71.04974	1.5
79.05500	1.7
80.05004	1.5
81.03416	0.4
81.07027	0.8
83.01349	0.6
83.05009	0.7
84.79697	0.4
85.06543	0.9
91.05468	2.1
93.05795	0.5
93.07053	1.0
94.06565	0.9
95.04958	1.2
95.08601	0.5
103.25384	0.4
105.07030	1.3
106.06554	2.9
107.04957	1.1
107.08571	0.6
110.06031	0.7
111.04419	0.5
112.07610	0.6
117.07027	1.4
118.06479	0.4
119.04944	0.8
119.08593	0.7
119.20318	0.4
120.08101	0.9
122.09696	0.9
123.08054	0.5
125.02325	0.4
126.09163	0.7
128.06233	1.1
129.07011	1.5
130.06537	1.6
131.08597	0.8
133.06509	1.1
134.09647	1.6
135.04413	0.6
137.06046	0.9
139.03896	0.9
141.06963	0.5
143.08575	1.1
144.08089	0.5
145.05450	0.4
145.06503	1.6
146.07266	0.4
147.08022	0.6
148.07521	0.5
150.09109	0.7
151.07526	2.0
152.10709	1.1
153.01834	1.2
153.05470	1.0
153.93814	0.4
155.08527	1.0
157.06474	1.2
159.08018	0.7
161.09541	0.4
163.04012	0.5
165.05507	0.8
168.10211	0.4
170.11678	0.9
171.08078	1.7
172.11177	0.8
173.05975	0.9
173.09540	0.7
177.05482	0.6
183.08078	1.0
185.09543	0.7
191.06921	0.4
193.04976	1.8
195.08035	0.6
199.07564	0.5
200.10594	0.5
205.08531	0.4
216.07993	0.4
217.08595	1.1
218.11775	1.7
219.06532	0.6
227.06911	0.7
231.10181	0.6
236.12773	8.4
243.10254	0.6
245.08022	2.1
259.09625	0.5
277.10760	1.8
279.08627	0.6
289.10806	1.5
291.12411	0.5
291.53867	0.5
305.73471	0.4
399.54834	0.4
410.37338	0.4
418.18481	1.7
436.19641	100.0
437.14368	0.7
437.19998	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
66.16181	1.3
67.05524	2.4
69.03429	5.5
70.06590	5.7
71.04980	1.5
71.34451	1.6
79.05486	3.3
81.03424	3.4
81.07044	1.7
84.08146	3.1
91.05509	3.4
93.07036	2.0
94.06591	1.7
95.04961	2.4
105.07041	5.7
107.04948	1.4
107.08614	2.7
110.09677	2.5
111.08087	3.9
117.07064	1.9
119.79768	1.6
120.08108	3.0
121.06477	2.0
122.09667	5.3
123.08065	1.7
131.04947	3.0
131.08582	3.2
133.06483	2.0
134.09679	2.8
136.11209	3.8
137.05984	1.9
145.06500	6.6
150.09247	1.7
159.08025	3.1
160.11227	2.0
161.06075	1.5
162.12746	8.0
164.14272	2.1
167.07016	17.6
173.05933	11.7
173.67177	1.5
182.11716	1.9
184.13292	4.0
190.06282	6.6
190.12328	4.4
205.08598	20.0
217.08546	8.4
218.11839	1.8
219.10298	1.7
235.09689	5.0
246.14919	4.8
247.09789	5.2
249.11128	2.6
252.12384	2.4
265.10797	2.8
292.18674	1.5
294.24353	3.8
308.18567	2.6
320.18475	6.4
330.10922	3.2
344.18594	6.0
350.22461	1.9
383.14807	2.9
392.18378	2.4
401.16037	2.7
416.05374	1.7
418.22482	15.4
436.23154	100.0
437.17877	2.8
437.23538	8.5
453.08810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86287	1.6
53.03947	5.6
55.01871	6.6
55.05515	7.2
57.03434	4.1
61.02918	3.4
65.03946	2.0
67.05507	8.7
69.03429	22.5
69.07066	4.9
69.28043	5.9
70.06574	2.3
70.33614	1.4
71.04993	6.1
73.02923	4.6
75.92455	1.4
77.03922	2.6
79.05497	16.8
81.03419	13.6
81.07053	11.3
83.05003	2.2
83.08638	2.7
85.02911	57.9
87.00826	25.4
87.01319	1.8
91.03955	2.0
91.04956	1.9
91.05492	22.1
92.05423	1.6
93.07049	94.8
94.07386	2.0
95.04967	8.1
95.08608	22.7
97.02889	24.9
97.06540	4.2
98.22712	3.2
99.04475	8.5
105.01874	37.9
105.04505	3.3
105.07032	7.7
107.08597	100.0
108.08890	2.4
109.02888	14.1
109.06519	5.9
109.10168	4.5
111.08048	1.9
115.03965	4.4
117.01906	2.0
117.62466	1.5
119.08588	6.2
121.06530	2.6
121.10172	2.4
123.04443	2.3
127.03918	41.2
129.01891	2.6
131.08572	1.8
133.10196	1.7
135.11702	64.8
136.12054	2.0
145.04950	23.8
145.10124	2.4
147.02872	2.3
147.08018	1.5
147.11761	2.5
147.28790	1.6
151.07576	1.5
153.12750	5.9
157.10094	1.7
159.02907	12.8
170.15358	2.5
171.13710	2.8
175.11227	1.8
203.89900	1.6
204.13937	2.0
225.12605	2.0
231.05011	11.2
239.66394	1.5
243.13802	2.3
249.06030	3.5
303.05136	3.4
304.05359	8.5
320.18411	1.6
322.50607	1.9
344.18533	3.2
418.22043	5.4
436.23691	49.7
437.23700	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48985	1.3
53.03960	5.0
55.01868	3.4
55.05516	3.0
55.28329	1.4
57.03444	3.7
61.02932	3.4
67.05519	5.4
69.03432	16.9
69.07060	2.9
70.14700	1.9
70.15006	2.0
71.05006	3.2
73.02913	2.8
73.55670	1.4
77.03947	2.5
79.05497	11.1
81.03416	14.1
81.03745	1.2
81.07051	13.3
85.02909	39.1
87.00832	14.4
91.05482	17.9
93.07047	71.9
95.04997	4.6
95.08614	18.6
97.02893	20.3
97.06550	3.7
99.04478	6.9
103.05485	4.2
105.01870	19.0
105.02527	1.8
105.04542	3.1
105.07061	5.5
107.04939	12.2
107.08595	66.4
109.02881	14.5
109.06553	3.4
109.10181	5.1
113.56030	1.4
115.03951	2.3
117.01866	1.4
119.04970	1.4
119.06057	1.7
119.08607	1.4
121.06505	100.0
127.03917	30.3
129.01895	2.1
135.11693	52.9
136.12053	1.8
137.05992	18.9
137.06989	1.4
137.13313	5.4
145.04970	16.0
147.02943	1.8
149.90115	1.6
150.09357	1.4
153.12743	8.2
154.79462	1.3
159.02925	8.2
168.84779	1.7
189.04068	1.5
194.11789	2.8
208.13335	1.5
225.09048	2.5
231.04947	6.9
243.10172	17.2
249.06213	2.5
250.18021	1.7
257.11844	2.0
273.11465	1.5
274.11652	2.5
275.12753	8.6
386.43063	1.5
404.21075	1.8
436.23529	46.3
437.23663	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.9
53.03943	5.6
55.01864	5.7
55.05506	9.4
56.03326	3.1
57.03432	5.0
57.07081	5.3
57.83487	2.8
61.02945	3.4
65.03926	3.5
67.05501	11.7
69.03425	20.2
69.07066	13.1
70.06606	3.6
71.04986	7.5
71.43616	3.2
73.02911	4.0
79.05510	15.2
80.05070	3.1
81.03424	21.2
81.07058	55.9
83.01324	3.8
83.04980	6.5
85.02912	35.6
87.00838	14.7
91.05467	21.8
93.07050	100.0
94.06548	4.3
95.04973	9.9
95.08618	36.1
97.02885	19.1
97.06521	4.7
99.04466	9.5
105.01882	12.1
105.07018	15.5
107.08601	60.3
109.02882	8.3
109.06535	5.7
109.10184	13.2
111.05513	3.3
111.08145	4.5
112.23248	3.8
117.01870	3.6
119.08651	5.9
121.06500	4.5
122.09669	5.4
127.03916	27.5
131.08588	4.3
135.11687	85.3
135.12640	5.2
137.13258	34.4
145.04987	13.4
150.09161	8.5
153.12778	7.8
159.02911	4.0
162.12823	3.5
168.10237	9.7
176.10693	3.5
176.12399	3.0
179.71124	3.0
182.11708	3.7
194.11728	3.9
258.05264	3.4
278.17560	13.6
280.19055	11.7
286.04633	7.3
287.05478	8.1
308.18530	9.3
315.10696	4.2
344.18878	3.9
395.81110	3.5
418.18466	10.7
424.42038	3.8
436.24109	91.9
436.72525	10.1
437.23514	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	436.2331
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
55.01879	1.6
56.05035	0.5
65.91206	0.4
66.36894	0.5
67.05515	1.2
68.05016	0.5
69.02972	0.3
69.03085	0.3
69.03423	2.6
69.73469	1.0
69.73804	0.6
70.06601	1.3
71.04995	1.4
71.36440	0.5
72.83331	0.5
79.05503	2.1
80.05025	1.2
81.07069	0.8
83.01347	0.7
83.04985	0.8
84.04488	0.6
84.08147	1.1
85.06551	0.4
86.06037	0.7
86.09712	0.7
91.05491	1.8
93.07046	1.2
94.06592	0.9
95.04988	0.6
95.08621	0.8
96.08148	1.1
97.06593	0.4
98.23450	0.5
99.04486	0.6
102.71966	0.5
105.07036	1.4
106.06572	1.7
107.04955	1.1
107.08601	1.4
108.08151	0.6
110.09724	0.7
111.08096	2.9
117.07024	0.8
119.08592	2.2
120.08108	1.5
121.06533	1.0
122.09677	1.7
123.08000	0.6
124.71336	0.5
125.05927	1.0
128.06203	0.7
129.06978	0.9
129.10297	0.6
131.08505	1.1
133.06505	0.7
134.09665	1.5
135.04405	0.6
135.08066	1.0
136.11252	1.0
137.06000	0.5
139.03958	0.7
139.07469	0.5
142.07748	0.6
143.08589	0.8
145.06480	0.8
145.10135	1.2
150.09129	2.5
151.03915	1.1
151.07536	1.1
152.10706	0.5
153.05489	0.6
155.03362	0.6
155.08371	0.6
157.10130	0.5
158.09625	0.5
159.11781	0.5
163.03941	1.4
163.11261	0.6
164.10736	0.5
165.05614	0.6
166.08540	0.7
167.07080	3.4
168.10201	1.9
171.08110	0.7
172.11278	0.7
174.12761	0.6
180.13832	0.6
182.11717	5.0
193.05042	0.5
197.08066	0.8
208.13371	1.5
218.11685	1.1
231.10234	0.6
233.11815	0.6
234.14896	1.5
236.12767	3.5
243.10524	0.6
245.08107	0.7
260.16318	0.8
274.17990	1.2
277.10693	0.6
279.08444	0.7
287.09201	0.5
289.10818	1.1
301.17282	0.7
302.17249	2.5
320.18518	1.6
338.19565	1.1
344.18436	1.7
362.19489	1.1
368.18427	1.2
374.19571	5.1
377.07022	0.9
400.21262	4.6
401.38678	0.5
418.22290	27.0
419.22708	2.4
436.18823	23.5
436.24179	100.0
437.19031	1.9
437.24536	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	436.2332
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
53.03950	0.2
55.01869	0.5
55.05515	0.5
56.05033	0.4
57.03429	0.3
57.46990	0.1
58.06601	0.9
59.05000	0.2
62.94230	0.1
67.05500	1.3
68.05032	0.4
69.03429	4.3
69.07070	0.2
69.19261	0.5
69.19672	0.4
70.03773	0.1
70.06591	4.4
71.04993	1.0
79.05484	1.4
80.05006	2.3
81.05791	0.2
81.07054	1.2
82.06593	0.9
83.01342	0.5
83.04992	0.3
83.07366	0.3
84.08142	1.4
85.02901	0.5
87.04473	0.3
91.05476	1.3
93.05793	0.2
93.07056	1.3
94.06561	2.3
95.04954	0.6
95.07360	0.4
95.08601	1.1
96.08124	2.4
97.02891	0.5
97.06523	0.4
97.08916	0.7
98.06064	0.2
99.04463	0.6
100.07583	0.2
101.06014	0.2
103.05496	0.2
105.07027	1.6
106.06556	0.4
107.04967	0.3
107.07350	0.2
107.08586	1.1
108.08117	1.2
110.09679	2.3
111.08064	1.0
112.07544	0.1
112.11282	0.1
115.03927	0.6
115.05410	0.2
116.04259	0.3
117.07024	0.6
118.06550	0.2
119.08591	1.2
119.27825	0.1
120.08112	0.8
121.06525	0.7
121.10199	0.3
122.09668	4.2
123.08055	0.4
124.07602	0.3
124.11221	0.8
125.06001	0.6
127.03917	0.8
128.06186	0.3
128.07072	0.2
129.07005	0.5
130.07755	0.3
131.08578	0.5
132.08112	0.5
133.04970	0.3
133.06480	0.4
133.10121	0.4
134.09650	1.6
135.04333	0.1
135.08075	0.6
135.10455	0.4
135.11623	0.1
136.07552	0.2
136.11206	1.1
137.05994	0.3
137.09625	0.5
138.09149	0.5
138.12743	0.3
138.67433	0.1
139.07539	0.4
141.05447	0.2
142.07796	0.2
143.08543	0.4
145.04982	0.2
145.06512	0.4
145.10074	0.8
146.09654	0.4
147.08031	0.4
147.11705	0.6
148.11174	0.7
149.05972	1.9
149.09537	0.2
149.11958	0.4
150.09132	3.9
150.12820	0.3
151.07556	0.5
152.10709	0.6
153.05492	0.3
153.09102	0.4
154.12251	0.2
155.03407	0.2
155.07104	0.4
155.08571	0.2
158.07326	0.2
159.08051	0.6
159.11711	0.2
160.08861	0.4
160.11229	0.7
161.05966	0.2
161.09644	0.8
161.11980	0.2
162.09192	0.3
162.12775	1.5
163.07565	0.3
164.10690	0.4
164.14365	0.6
165.05463	0.3
165.09126	0.3
166.12248	0.2
167.07053	0.6
167.08607	0.1
168.10202	4.0
169.10356	0.2
170.11783	0.5
171.08092	0.5
172.11255	0.2
173.09630	0.5
174.12802	0.2
175.07588	0.2
175.11206	0.7
176.08394	0.3
176.10677	0.1
176.14323	0.4
177.09076	0.2
177.12759	0.2
179.07016	0.4
180.10274	0.2
181.08563	0.7
182.11771	3.3
183.06537	0.6
184.13318	6.1
187.07559	0.4
188.10648	0.2
188.14369	0.6
189.09081	1.2
190.12279	0.3
190.15898	0.8
191.06958	0.2
191.10696	0.5
192.13841	0.2
193.08575	0.2
193.12135	0.2
196.13345	0.5
200.10707	0.2
200.12793	0.2
201.05461	0.2
201.09045	0.2
202.12221	0.3
203.06921	0.2
203.10698	0.2
204.07736	0.3
204.65692	0.2
205.08623	0.3
205.12315	0.2
206.11871	0.2
206.15210	0.2
207.06552	0.3
208.13271	0.9
210.14925	0.4
214.12247	0.2
216.13760	0.3
217.08633	0.4
218.15422	0.4
219.06548	0.2
219.10147	0.7
220.13226	0.8
221.11691	0.2
222.14888	0.3
228.13933	0.2
231.10168	0.4
232.13306	0.4
233.11749	0.4
234.08958	0.2
234.14841	1.4
235.09671	0.3
236.12758	0.3
236.16415	2.6
236.18626	0.2
238.14409	0.2
239.12994	0.2
244.17061	0.2
246.14890	10.3
247.09645	12.8
247.15202	0.6
248.10023	0.7
248.16341	0.3
249.11217	3.1
251.12723	1.6
254.17574	0.3
256.13025	0.2
256.17358	0.2
260.12875	0.3
260.16443	0.3
262.18051	0.6
264.19583	1.1
266.15268	0.2
268.16965	0.2
274.14496	0.2
274.17957	0.4
276.15869	0.2
286.14258	0.2
286.17999	0.3
288.15948	0.2
290.17535	0.3
292.19058	0.4
302.14142	0.2
302.17288	0.7
304.15338	0.3
308.18555	1.9
316.18979	0.3
318.16992	0.9
320.18558	12.7
321.18918	0.7
328.15271	0.2
330.16980	0.4
338.19662	0.7
342.20529	0.3
344.18542	15.3
345.18790	1.0
360.18018	1.1
372.21680	0.2
388.17465	0.2
390.18710	0.3
390.23169	0.2
400.21097	0.5
403.19827	0.4
418.22229	21.9
419.22559	1.5
432.80756	0.2
436.23322	100.0
437.14725	0.8
437.23630	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	436.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05523	0.6
67.05509	1.0
69.03424	2.7
69.39867	1.4
70.06597	3.0
71.04990	3.6
79.05485	0.9
80.05009	2.3
81.07078	0.8
82.06616	0.4
83.01376	0.3
84.08132	1.9
85.02921	0.4
85.06566	0.5
89.58840	0.3
91.05521	0.5
93.07077	1.0
94.06561	1.5
95.04976	0.5
95.08594	2.9
96.08131	1.5
97.02921	0.8
97.06615	0.4
97.08951	0.6
99.04461	1.4
105.07030	0.7
106.06564	0.5
107.08607	0.6
108.08164	0.8
110.09711	0.7
111.08082	7.8
111.08812	0.4
112.07681	0.3
112.08405	0.4
119.08614	0.9
120.08155	0.7
121.06519	0.3
121.08970	0.3
122.09674	4.6
122.10432	0.4
123.04443	0.4
123.08100	0.6
124.07631	0.3
124.11237	1.5
125.06014	0.8
125.09698	0.4
127.03923	2.1
129.05486	3.1
131.08597	0.3
133.10196	0.3
134.09708	1.1
135.10310	0.3
136.11226	5.3
138.09200	0.4
138.12791	0.3
139.07596	1.0
142.08720	0.3
146.09694	0.3
147.11736	0.4
148.11252	0.7
149.08429	0.4
150.09109	3.5
151.09534	0.4
152.10696	1.8
153.96648	0.4
154.12270	0.5
155.03383	0.5
160.11218	0.4
162.09198	0.6
162.12840	1.2
164.10786	0.8
164.14340	3.5
165.05479	0.4
167.07117	1.3
168.10228	3.0
170.11774	0.4
172.11330	0.5
176.10728	0.5
176.14424	0.4
180.13939	0.9
182.11768	12.2
182.13353	0.7
182.15434	0.8
183.06642	0.7
183.12154	0.6
190.15945	0.8
192.13849	0.4
194.11795	0.6
206.15489	0.3
208.17039	0.6
210.15044	0.3
216.13815	0.7
220.13342	0.5
234.14890	3.6
235.15607	0.3
236.16583	1.1
238.14375	0.4
244.17046	0.4
262.17923	1.8
264.19736	0.4
267.12250	0.3
280.19220	0.4
290.17673	0.9
308.18567	17.4
309.19049	1.1
338.19772	0.8
344.18683	0.4
362.19791	1.0
418.22379	8.0
419.22836	0.6
436.23526	100.0
437.18735	0.5
437.23892	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	436.2333
Annotation	Protostemodiol
Peak:m/z	Relative Intensity
51.34179	0.3
55.01882	0.7
55.05521	0.8
56.05008	0.3
59.05012	0.3
63.24973	0.3
67.05502	1.9
68.05010	0.6
69.03429	2.2
70.06589	2.5
70.44468	0.7
71.04997	3.8
79.05491	1.5
80.05022	2.3
81.07064	1.5
82.06562	0.4
83.01314	0.5
83.04984	0.5
84.08144	2.2
85.06548	0.4
86.06060	0.3
91.05489	1.0
93.07050	1.1
94.06569	1.7
95.04942	0.7
95.08603	3.0
96.08129	1.9
97.02866	0.3
97.06542	0.6
97.08914	0.5
98.06054	0.4
99.04449	1.6
101.06009	0.4
105.07028	0.9
106.06583	1.0
107.08607	0.6
108.08099	0.8
110.09669	1.1
111.08075	8.6
111.10445	0.4
112.07636	0.4
115.03916	0.5
117.07030	0.4
119.07216	0.3
119.08595	1.1
120.08102	0.6
121.06453	0.4
121.10123	0.4
122.09669	5.1
123.04438	0.4
123.08073	0.6
124.11246	1.0
125.06043	0.7
127.03908	2.6
129.05460	2.5
129.07004	0.4
130.06461	0.4
131.08569	0.4
132.08090	0.9
133.06543	0.4
134.09662	1.6
136.11215	5.6
139.07585	0.9
140.08292	0.5
147.11681	0.5
150.09145	4.1
151.07617	0.4
152.10703	2.1
154.12267	0.7
157.10150	0.4
160.11124	0.4
162.09163	0.9
162.12807	1.8
164.10753	0.5
164.14352	3.0
167.07039	1.9
168.10234	2.9
170.11797	0.6
176.10641	0.3
176.14371	0.4
180.13840	0.7
182.11768	12.3
182.15448	0.9
183.06519	0.6
183.12061	0.5
184.13393	0.4
188.39117	0.3
190.12292	0.4
190.15886	0.5
192.13837	0.6
194.11824	0.3
208.13281	0.7
208.16962	0.8
216.13902	0.6
220.13338	0.4
232.13280	0.4
234.14841	3.4
236.12825	0.8
236.16475	1.1
238.14348	0.6
252.12422	0.3
262.18079	1.4
267.12357	0.5
272.16367	0.4
290.17477	0.8
308.18546	21.3
309.18954	1.0
309.94580	0.3
348.18204	0.6
362.19531	1.1
400.17178	0.4
418.22455	8.7
419.22540	1.0
436.23788	100.0
437.24091	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	436.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41835	0.4
55.05523	0.5
58.06593	0.8
61.75539	0.5
61.93693	0.5
65.84354	0.4
67.05502	1.8
68.05016	0.6
69.03433	4.5
69.95187	1.0
70.06590	5.9
71.04978	0.5
79.05495	1.2
80.05031	0.7
81.07050	1.0
82.06582	0.6
83.07395	0.4
84.08132	2.0
91.05495	0.9
93.07058	1.2
94.06569	1.0
95.04968	0.7
95.08640	1.0
96.08137	1.8
99.04471	0.6
101.06034	0.9
105.07056	1.1
107.08587	1.0
108.08127	1.6
108.44981	0.4
109.08900	0.5
109.10191	0.5
110.09727	2.6
110.10325	0.5
117.07105	0.4
119.08607	0.8
120.08134	0.8
121.06481	1.0
122.09683	1.9
123.08109	0.4
124.11240	1.5
127.03920	0.5
131.08591	0.5
133.06511	0.5
134.09676	1.2
136.11201	1.1
138.09132	1.2
138.12730	0.7
143.08505	0.6
148.11168	0.7
149.05995	0.9
150.09157	1.4
151.07590	0.5
155.07054	0.5
159.08083	0.5
162.12798	1.3
164.14386	0.5
165.05496	0.7
171.08275	0.4
179.07086	0.6
181.08627	1.1
182.11749	1.6
183.06552	0.5
184.13353	6.2
189.09079	0.9
190.15854	1.1
196.13426	0.8
208.13307	0.8
218.15311	0.5
234.14957	0.7
236.16426	3.5
246.14903	7.8
247.09656	5.0
247.15405	0.6
249.11240	5.7
254.17567	0.6
264.19678	1.3
284.16211	0.5
284.37183	0.4
292.19171	0.8
302.17499	0.7
318.16980	1.1
320.18573	11.1
321.18796	0.6
344.18588	9.3
360.18042	2.6
400.21085	0.6
403.20016	1.6
418.22256	18.3
419.22650	1.6
436.23318	100.0
437.23663	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	436.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05505	0.7
66.85365	0.4
67.05495	1.2
69.03429	2.5
69.74023	1.1
69.74368	0.3
70.06600	2.6
71.04987	2.5
79.05502	0.6
80.05033	1.7
81.07048	1.3
82.06587	0.5
84.08148	2.0
91.05491	0.6
93.07037	1.2
94.06570	1.4
95.04969	0.6
95.08606	3.3
96.08127	1.5
97.02904	0.4
97.08897	0.4
98.06068	0.4
98.23400	0.5
99.04454	0.7
105.07025	0.9
107.04950	0.4
107.08620	0.7
108.08143	0.7
108.15170	0.4
110.09673	0.8
111.08091	8.1
112.07616	0.6
117.07002	0.4
119.08603	1.2
120.08114	0.9
120.64824	0.4
121.10101	0.3
122.09669	4.7
123.08024	0.3
124.07586	0.6
124.11256	1.0
125.05987	0.6
127.03938	2.1
129.05467	2.4
134.09656	1.2
136.11223	6.3
138.09148	0.4
139.07520	0.8
140.08344	0.4
148.11182	0.6
150.09126	3.7
152.10666	1.7
154.12334	0.5
161.11813	0.3
162.09157	0.7
162.12804	1.0
163.99307	0.4
164.14371	3.6
167.06995	1.2
168.10207	2.7
174.12798	0.5
176.14381	1.0
180.10176	0.4
180.13844	0.7
182.11763	11.4
182.15393	1.0
184.13297	0.4
190.15860	0.4
192.13855	0.3
194.11635	0.4
205.58391	0.4
208.13293	0.7
208.16989	0.8
234.14896	3.4
235.15546	0.5
236.16493	1.0
238.14348	0.4
248.16476	0.5
262.18088	1.1
280.19113	0.8
290.17517	0.6
308.18549	15.9
309.19006	1.4
338.19547	0.7
348.18088	0.6
362.19553	0.7
392.24438	0.3
418.22171	8.0
419.22421	0.5
436.23312	100.0
437.23660	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	436.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05516	0.6
64.67239	0.3
66.14616	0.4
67.05506	1.1
69.03439	2.4
69.23872	1.8
70.06582	1.8
71.04994	2.4
72.73057	0.4
79.05490	1.1
80.05016	2.2
81.07054	0.9
82.06583	0.5
84.08138	1.9
91.05484	0.7
93.07038	1.1
94.06577	1.6
95.08616	2.9
96.08131	1.5
97.02923	0.5
97.06516	0.4
97.08920	0.8
98.06072	0.5
99.04446	1.0
100.26114	0.3
101.89377	0.3
105.07035	1.0
108.08128	1.3
110.09700	0.8
111.08083	8.1
113.09613	0.3
117.02020	0.3
119.08587	0.8
120.08109	0.5
121.06523	0.5
122.09673	4.6
123.10474	0.3
124.07594	0.5
124.11230	1.5
125.09646	0.4
127.03925	1.9
129.05472	2.8
134.09663	1.4
135.08041	0.4
136.11230	6.0
138.09195	0.4
139.07507	0.9
145.10197	0.4
147.11668	0.4
148.11256	0.5
150.09143	4.4
152.10661	1.8
154.12260	0.8
160.11272	0.3
162.09154	0.5
162.12790	1.2
164.14365	4.1
167.07042	1.5
168.10167	2.8
170.11745	0.4
174.12796	0.4
175.11226	0.5
176.14299	0.6
180.13831	0.6
182.11761	11.6
182.15353	1.0
183.06551	0.5
183.12079	0.6
184.13269	0.4
190.15965	1.0
194.11765	0.4
194.15514	0.3
208.13313	0.5
208.16995	0.7
216.13901	0.5
226.00761	0.4
233.13869	0.4
234.14873	3.3
236.16406	1.3
238.14348	0.6
244.17200	0.4
262.18170	1.9
269.99338	0.3
280.19104	0.5
290.17538	1.1
308.18561	16.8
309.18912	1.0
338.19910	0.5
344.18488	0.6
345.64557	0.4
348.18173	0.7
350.37216	0.3
362.19656	0.7
413.45773	0.3
418.22263	9.8
419.22498	1.1
436.23306	100.0
437.23645	7.1
437.29572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.233
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
52.42687	0.3
55.01876	0.4
55.05505	0.8
56.05027	0.4
58.06591	0.9
61.00507	0.4
65.03940	0.3
67.05508	1.6
68.05025	0.4
69.03430	4.2
69.35421	1.8
70.06590	5.6
71.04989	0.8
71.62436	0.4
73.06081	0.3
79.05486	1.2
80.05019	1.0
81.03403	0.6
81.07055	0.9
82.06584	0.9
83.01325	0.6
83.04978	0.9
83.07391	0.6
84.08147	1.6
85.02900	0.3
91.05488	1.1
93.07053	1.4
94.06577	1.4
95.04970	0.5
95.07365	0.5
95.08603	1.1
96.08109	1.8
97.08921	0.9
98.22749	0.6
99.04420	0.6
105.07019	1.3
107.08570	0.8
108.08113	1.6
108.81728	0.5
109.08910	0.7
110.09673	3.2
111.08091	0.3
117.07050	0.7
119.08620	0.8
120.08149	0.8
121.06515	0.7
122.09675	2.1
123.04389	0.3
123.08052	0.4
124.11248	0.5
125.05994	0.4
127.03884	0.4
131.08591	0.6
132.08101	0.6
133.06477	0.4
133.10150	0.6
134.09671	1.4
135.08029	0.3
136.11211	1.3
138.09129	0.9
138.12779	0.5
143.08560	0.3
146.06023	3.1
147.11775	0.5
148.11269	0.6
149.05975	1.2
150.09077	1.6
151.07492	0.4
153.05429	0.5
153.09109	0.6
155.07098	0.6
159.08095	0.6
160.11189	0.7
161.06050	0.3
161.09592	0.5
162.12776	1.5
163.07585	0.4
164.10770	0.5
164.14383	0.6
165.05450	0.6
166.08824	0.3
168.10213	0.9
173.09616	0.7
175.11256	0.5
176.14384	0.4
181.08607	1.2
182.11790	2.7
183.06511	0.9
184.13332	6.3
185.13756	0.5
189.09131	1.0
190.15909	0.8
192.06558	1.0
196.13333	0.5
205.12263	0.4
206.03883	0.3
206.05751	0.5
208.13361	0.9
210.14867	0.4
217.08566	0.5
218.15323	0.5
219.06615	0.4
220.13351	0.5
232.13303	0.4
234.14960	0.8
236.16476	3.4
244.17125	0.4
246.14880	9.2
246.50534	0.4
247.09660	7.3
249.11218	6.1
250.11542	0.4
254.17697	0.5
264.19611	1.2
276.15866	0.4
284.13089	0.4
286.18207	0.4
292.18948	0.6
302.14044	0.7
302.17593	0.9
316.19263	0.4
318.16983	0.9
320.18549	11.8
321.18866	0.8
342.17047	0.6
344.18588	10.8
345.18875	0.7
360.17908	1.8
393.83444	0.4
400.21295	0.6
403.19913	1.0
418.22238	21.6
419.22659	1.5
436.23285	100.0
437.23578	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	436.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86623	0.3
55.01858	0.5
58.06569	0.5
58.81551	0.4
59.04987	0.5
67.05507	1.7
69.03432	4.5
69.10035	2.3
69.19672	0.3
70.06235	0.5
70.06591	5.8
71.04990	0.5
75.60768	0.3
79.05479	1.6
80.05010	1.1
81.07063	0.8
82.06570	0.9
82.28663	0.4
83.01318	0.4
83.04961	0.3
84.08141	1.8
85.51904	0.3
91.05473	1.0
93.07031	1.2
94.06569	1.2
95.08604	0.8
96.08135	2.1
97.08906	0.4
99.04465	0.6
101.06033	0.5
105.07043	1.3
107.08617	0.6
108.08115	1.5
109.08915	0.6
109.10138	0.3
110.09696	2.6
117.07024	0.5
118.39035	0.3
119.08569	0.9
120.08117	0.7
121.06479	0.8
121.10113	0.5
122.09682	2.0
124.11205	1.0
125.05981	0.4
127.03922	0.7
129.06998	0.4
130.07841	0.4
131.08562	0.8
134.09657	1.2
135.08061	0.8
136.11206	0.8
138.09155	0.9
138.12762	0.6
141.05453	0.4
143.08572	0.5
145.06425	0.4
145.10138	0.6
146.09616	0.6
148.11185	0.7
149.05946	1.0
150.09149	1.3
152.10693	0.4
153.09087	0.5
159.07988	0.4
161.09654	1.0
162.12802	1.7
164.14346	0.7
165.05472	0.5
167.07062	0.9
168.10216	0.4
170.11705	0.5
171.08041	0.4
172.76387	0.3
174.12848	0.4
175.07529	0.6
175.11206	0.4
176.10748	0.4
179.06978	0.6
181.08632	0.8
182.11745	2.7
183.06506	0.3
184.13327	6.4
188.08432	0.3
189.09149	0.7
190.15929	0.7
191.07108	0.5
191.10651	0.4
208.13353	0.6
210.14815	0.5
216.13792	0.3
217.08688	0.4
218.15356	0.4
220.13429	0.5
234.14915	0.5
236.16444	3.1
244.52501	0.3
246.14905	10.2
247.09634	8.1
247.15198	0.5
249.11212	5.0
254.17517	0.5
264.19629	1.7
292.18924	0.5
302.17456	0.8
303.40192	0.4
318.16992	1.0
320.14706	0.6
320.18564	12.0
321.18893	1.2
342.16888	0.6
344.18533	11.3
345.18698	0.8
360.17874	1.8
372.21680	0.4
400.21338	0.9
403.19916	1.1
418.22229	21.1
419.22549	2.1
436.23285	100.0
437.23639	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	436.2338
Annotation	Protostemodiol
Peak:m/z	Relative Intensity
50.55396	0.8
55.05518	0.9
57.07056	0.8
57.55249	0.9
67.05516	3.4
68.05018	1.2
69.03439	3.6
69.07083	1.8
71.04997	1.5
71.08634	2.5
71.10148	1.3
74.11386	0.9
79.05511	3.4
80.05035	1.2
81.07063	3.3
82.06610	1.7
83.01344	1.2
83.05006	1.0
83.07371	4.4
88.34312	0.8
91.05499	2.6
93.07079	2.5
94.06602	1.8
95.04994	1.7
95.08634	1.7
96.08168	2.0
97.06555	0.9
98.06023	1.0
99.04413	0.9
105.07055	3.4
106.06564	1.1
107.04990	1.0
107.08617	1.9
108.08150	1.8
109.10188	2.4
111.04483	1.0
111.08146	1.1
118.06583	1.1
120.08135	1.3
122.09697	2.5
124.11243	2.0
126.12818	1.8
127.04002	1.0
129.07060	0.9
132.08112	2.6
133.10168	2.8
134.06053	1.4
134.09691	1.3
136.11227	2.1
138.12808	2.8
144.08105	1.3
146.09669	1.0
147.11714	0.8
148.07645	2.3
150.09181	4.4
151.11189	4.0
152.10744	2.2
160.07674	1.0
162.09171	1.1
162.12820	2.0
164.10704	1.0
164.14383	2.2
169.12396	1.0
176.14423	1.5
187.09955	1.1
192.13914	1.4
194.15431	1.5
197.38335	0.8
202.15987	3.7
204.13976	2.8
206.15506	3.4
208.13400	2.8
220.16922	7.4
221.14119	1.1
222.14926	0.9
225.09123	0.9
230.15407	7.3
232.17010	1.5
234.14966	1.7
246.14992	3.3
248.16464	50.3
249.16890	3.0
250.17944	4.1
262.18134	0.9
274.14432	2.3
276.15961	6.8
278.17557	6.1
279.17953	1.3
280.19077	73.1
281.19409	4.0
290.14035	1.1
306.17151	2.6
308.18564	51.4
309.19055	2.9
334.12903	14.2
335.13333	1.0
342.21036	1.0
356.22205	0.9
381.01563	1.0
386.19980	2.1
388.21140	10.2
389.21765	3.2
404.20581	7.3
418.22510	1.5
428.20883	3.0
429.20981	1.2
436.23004	100.0
436.72449	20.9
437.23572	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	436.2333
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
58.06599	1.0
62.98244	0.8
67.05499	2.0
69.03436	4.4
70.06597	6.7
71.04993	0.8
79.05492	1.4
80.05037	2.5
81.07049	1.7
82.06573	1.0
83.01333	1.0
84.08150	3.2
85.02928	0.9
90.29963	0.5
91.05483	1.3
91.84547	0.5
93.07060	1.5
94.06564	2.7
95.08617	1.2
96.08139	2.0
97.02897	0.6
98.23410	1.6
99.04507	0.6
104.15425	0.4
104.93099	0.5
105.01895	0.7
105.07037	1.5
107.08591	0.8
108.08125	1.2
109.08916	0.7
110.09703	2.4
111.08054	0.5
117.07043	0.7
119.08611	0.6
120.08157	0.8
121.06541	0.6
122.09675	5.7
123.08070	0.6
124.11210	0.8
127.03879	0.8
128.06175	0.5
131.08575	1.0
133.02893	0.7
133.10139	0.6
134.09645	1.5
135.08083	0.6
136.11246	1.1
137.06143	0.5
137.11929	0.5
138.09166	0.9
138.12840	0.6
143.08534	0.5
146.09700	0.5
149.05989	1.5
150.09138	4.7
151.07535	0.5
152.10730	0.7
159.08023	0.6
160.08760	0.7
161.09636	0.9
162.12766	1.1
164.10770	0.5
165.05476	0.7
167.07111	0.8
168.10204	8.8
170.11835	0.4
173.09531	0.6
175.11142	0.5
181.08617	1.5
182.11781	2.8
183.06592	0.7
184.13350	5.6
188.08247	0.6
189.09149	1.1
190.15852	0.8
191.10715	0.6
198.12738	0.6
208.13254	0.6
217.08679	0.6
234.14821	0.8
236.16507	3.2
245.10278	0.5
246.14894	8.4
247.09692	8.1
249.06155	0.5
249.11238	5.6
264.19647	1.0
292.19226	0.5
302.17474	0.7
318.17191	1.2
320.18555	10.3
344.18570	10.2
345.18927	0.6
360.18134	1.5
400.21210	1.0
403.19980	1.1
418.22287	20.8
419.22699	1.5
436.23331	100.0
437.14999	0.6
437.23737	6.4
444.02881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98644	0.4
57.06822	0.4
57.07079	6.9
58.06593	2.0
69.86040	0.5
69.86365	1.0
70.06600	17.5
71.08633	2.4
72.08134	0.4
79.05485	0.5
80.31339	0.4
85.10169	0.8
86.06033	0.5
88.07639	22.1
91.05477	0.5
102.09187	15.6
103.01826	2.8
105.07034	0.9
111.04456	0.6
121.06490	0.9
125.62164	0.4
126.23402	0.4
135.04419	4.8
135.08069	0.4
153.05440	1.2
163.03905	78.5
163.05023	5.7
164.04240	1.5
191.07027	0.6
207.06535	87.5
208.06902	2.9
212.23639	0.7
256.26370	48.3
257.26666	1.8
388.21140	0.5
436.23599	4.6
436.30609	100.0
437.19284	6.8
437.31079	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	437.1059
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
52.33771	0.4
56.96576	0.7
62.61539	0.4
63.07412	0.4
65.42386	0.4
67.05511	0.5
69.03434	1.0
69.34235	2.2
69.34532	0.4
79.05497	0.9
91.05518	0.5
94.93025	0.5
96.92847	0.6
98.97588	2.2
105.07041	0.5
107.06952	0.5
116.98624	0.7
117.07012	0.6
129.86055	0.4
134.09641	0.7
142.29694	0.4
145.06432	0.5
155.00134	0.4
171.08034	0.5
173.01180	0.4
193.05008	0.5
199.07732	0.5
219.01767	1.0
236.95636	0.6
237.02803	0.7
238.95450	0.7
274.91235	0.8
276.91013	7.0
278.11264	0.6
289.10583	0.6
317.02069	0.5
323.06589	1.6
341.07687	0.6
436.19672	11.9
437.10587	100.0
437.19794	37.7
438.10941	4.7
438.20398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48816	1.4
67.05486	2.3
69.03440	7.1
69.55376	2.7
69.55741	5.8
70.06586	9.5
71.06939	2.0
79.76761	1.2
81.03428	1.4
82.52744	1.3
84.08138	3.2
85.02892	4.5
91.05476	2.6
93.07047	1.6
95.08588	2.7
96.08121	1.7
98.03933	1.6
98.97580	8.0
99.04539	1.7
105.07120	1.6
108.10654	1.4
110.09657	2.9
110.97541	2.1
119.04948	1.7
122.09689	2.3
128.98599	3.0
135.45854	1.5
136.11221	1.4
151.07404	1.5
177.00710	2.2
179.03764	4.5
182.11794	2.1
183.06746	3.5
184.13301	3.9
185.13658	2.7
219.01761	3.1
221.04831	2.8
236.16493	1.9
237.02785	5.9
246.14958	7.7
247.09692	5.2
247.15262	2.5
248.10020	2.4
249.11258	5.2
250.11545	2.5
257.11685	1.9
275.11780	100.0
276.12256	2.7
320.18463	5.9
321.18973	5.3
323.08044	12.1
341.09067	8.8
344.18518	7.2
345.18924	7.2
362.34195	1.7
418.22293	11.4
419.22647	16.1
436.23273	68.1
437.12070	82.9
437.23569	68.1
438.12625	3.4
438.18719	29.1
438.28497	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	437.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46884	0.2
51.02378	0.3
51.29438	0.2
53.03936	0.7
55.01873	0.6
55.05506	0.6
55.39727	0.2
55.62204	0.2
57.03441	0.6
61.02919	0.7
63.98684	0.2
65.03944	0.3
67.05503	0.5
68.05840	0.2
69.03432	2.3
69.07070	0.4
70.03754	0.3
71.03661	0.2
71.04983	0.6
73.02920	0.5
74.78673	0.2
77.03907	1.2
79.05499	1.4
81.03436	1.4
81.07072	1.1
82.03768	0.3
83.01299	0.2
83.08627	0.3
85.02910	6.6
86.03242	0.4
87.00810	0.8
87.04468	0.2
91.03970	0.4
91.05481	5.1
91.22170	0.2
92.05799	0.3
93.07047	10.4
94.07368	1.4
95.04988	2.3
95.08612	0.6
95.81751	0.2
96.08920	0.3
97.02885	2.5
97.06522	0.4
98.03239	0.2
99.04458	0.7
103.05472	6.8
105.01859	1.1
105.04513	0.8
105.07040	0.4
107.04955	13.4
107.08599	2.6
108.05302	0.4
108.08920	1.4
109.02873	1.3
109.06515	1.1
109.10146	0.7
110.10453	0.2
111.08080	0.3
115.03973	0.3
119.04948	2.6
121.06508	100.0
122.06829	2.9
123.04427	2.0
125.05996	0.4
127.03927	2.1
128.04253	0.4
133.06635	0.2
135.08165	0.2
135.11690	1.8
136.12036	1.4
137.05980	20.8
138.06325	0.6
144.09229	0.2
145.04977	1.2
146.05264	0.3
146.36336	0.2
149.05980	1.7
151.07547	1.0
153.12761	0.3
154.13148	0.4
155.06992	0.3
159.02908	0.4
162.05515	0.4
167.08553	0.2
171.13832	0.6
172.14133	0.3
179.08559	0.4
181.08553	1.1
187.65714	0.2
197.09619	1.3
207.08163	0.3
210.06786	0.3
215.10645	0.4
225.09125	3.2
225.11298	0.4
228.07796	0.3
231.05058	0.3
232.05342	0.2
243.10167	16.3
244.10558	0.7
257.11700	2.0
275.12793	8.5
276.13257	0.3
374.58026	0.2
420.20224	0.9
425.16229	0.2
436.23236	0.8
437.23788	5.7
438.20853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.83177	0.5
54.74655	0.4
55.01865	1.1
57.03422	1.8
57.07066	0.9
61.02911	2.0
65.03925	0.5
67.05499	1.7
69.03118	0.5
69.03438	5.7
71.04975	1.0
73.02925	0.5
75.56415	0.5
77.03914	0.6
79.05498	7.1
80.71223	0.4
81.03414	2.0
81.07059	12.4
85.02911	13.3
85.06528	0.5
87.00843	0.7
91.03938	0.6
91.05471	5.6
93.07041	0.9
94.04181	1.1
95.04969	2.0
95.08627	1.0
97.02895	3.7
99.04467	0.7
103.05470	4.7
105.01871	0.9
105.07037	18.4
107.04964	2.3
109.02879	2.2
109.06525	13.1
109.10162	0.7
115.03902	0.5
118.04124	0.5
118.98192	0.5
119.04938	1.4
119.08608	0.6
120.05736	3.1
121.06516	3.4
123.04434	8.6
123.08070	0.9
124.03453	0.5
127.03952	2.9
127.11187	0.6
133.06474	2.4
135.04398	0.6
135.08057	6.4
137.05980	46.3
138.06290	0.8
139.07516	2.1
145.04950	2.0
145.12242	1.1
147.04407	1.7
147.75867	0.5
149.06003	1.0
150.06744	6.0
150.07825	0.6
151.07547	16.7
152.08360	2.3
153.09097	2.6
153.12762	0.7
155.14323	1.0
161.05960	1.1
163.03825	0.6
165.09120	61.6
166.09479	1.9
173.06036	0.6
175.07472	0.7
189.05496	0.7
189.09087	0.7
196.52591	0.6
243.10118	0.9
249.13121	0.5
275.12775	100.0
276.13095	5.5
285.11227	5.1
287.12714	3.7
288.85013	0.5
297.11285	0.6
299.12827	2.9
309.11227	2.1
311.12726	0.9
317.13800	1.1
323.12610	0.9
341.13806	2.0
353.13724	1.1
365.13931	1.4
383.14871	1.5
420.20026	1.2
436.73514	0.7
437.23444	1.7
438.21597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	1.6
55.05513	22.2
57.03440	10.6
57.07079	9.3
67.05511	16.3
68.90024	0.8
69.06711	1.6
69.07069	28.0
69.31860	4.7
71.04963	1.5
71.08625	5.8
77.00884	1.0
79.05494	9.6
81.07058	20.1
83.04990	0.9
83.08622	21.3
85.01446	1.0
85.06544	1.4
85.10165	3.7
86.41829	0.8
89.05512	1.5
89.06026	14.1
91.05491	0.9
92.62566	0.8
93.07054	8.9
95.08607	21.7
97.06519	3.4
97.10168	13.7
98.10509	0.9
98.23530	1.4
98.98466	47.3
99.08069	0.9
101.00929	1.0
107.08603	6.8
109.10161	10.1
111.08070	3.0
111.11720	3.1
115.39247	1.0
116.99557	0.8
119.01904	2.4
121.10153	10.5
123.11694	2.8
125.09708	1.0
133.03439	3.5
133.08589	9.0
135.11705	7.0
139.11194	1.2
145.03493	2.2
149.05711	1.5
149.13242	3.2
151.14798	0.8
155.01041	35.1
163.14836	1.6
173.02132	3.4
175.04535	17.6
177.11195	1.5
196.64131	1.0
239.14902	14.0
247.24240	4.7
252.13737	1.0
265.25250	13.7
266.25693	1.4
303.21591	2.8
310.14270	1.1
321.22678	8.9
322.22778	1.1
339.28934	100.0
340.29318	6.7
344.24368	1.2
377.25101	1.2
419.25601	1.2
421.35449	1.2
437.19272	9.1
437.27353	4.0
437.32925	1.2
438.18896	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	437.2668
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
52.39718	0.8
53.03903	0.7
54.40140	0.7
55.05511	24.9
57.03440	11.6
57.06827	0.8
57.07082	10.2
59.05009	1.0
66.04731	0.8
67.05505	17.8
69.07069	31.1
69.88981	2.1
70.07398	0.7
71.04984	1.3
71.08633	7.3
73.21945	0.7
75.04527	0.9
79.05493	9.0
81.07056	22.8
83.04973	1.1
83.08621	23.6
85.06557	1.0
85.10174	2.4
89.06037	7.4
89.94092	0.8
91.05488	1.3
93.07040	9.6
95.04978	1.4
95.08608	20.5
96.97540	0.7
97.06554	3.7
97.10172	12.6
98.98470	51.2
99.08092	0.7
107.08578	7.1
109.10169	9.2
110.92006	0.6
111.08090	2.4
111.11716	3.3
113.00020	1.3
121.10153	12.0
123.11719	3.6
125.09647	1.0
125.13304	0.7
133.08618	5.7
135.11694	7.8
139.11221	1.3
149.05743	0.8
149.13292	4.1
151.14824	1.8
153.12817	0.8
155.01045	37.4
163.14778	1.6
165.16310	0.9
169.02597	1.2
173.02127	4.9
239.14883	6.9
247.24223	4.0
265.25247	14.6
266.25650	1.4
288.15964	0.8
304.28516	0.7
310.14117	1.3
325.27396	2.9
339.28943	100.0
340.29279	8.1
419.25717	2.2
437.19162	7.2
438.18893	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	437.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	26.0
57.07075	4.2
59.04993	3.1
59.07360	2.6
67.05511	65.4
69.07069	27.1
71.04992	4.1
71.08623	3.2
74.52833	3.5
79.05490	33.5
80.58186	3.0
81.07061	84.3
83.08618	17.0
85.06490	3.4
91.05482	21.2
93.07052	47.9
95.04930	3.5
95.08610	82.5
97.06541	5.7
97.10174	12.0
105.07024	32.1
107.08601	34.7
109.06536	3.7
109.10164	36.9
111.08088	5.9
113.06953	3.3
117.06994	8.2
119.08576	28.5
121.06526	3.4
121.10160	34.2
123.11713	10.9
125.09681	4.7
129.07007	4.4
131.08563	16.8
133.10114	18.6
135.11700	20.2
137.13246	5.1
143.08577	5.1
145.10143	21.3
147.08118	4.1
147.11684	10.2
149.13316	8.7
157.10132	4.9
159.11676	11.2
163.14810	3.2
171.11783	7.1
173.13290	5.0
185.13292	4.1
199.14928	3.8
247.20413	3.9
259.20352	3.7
276.23297	10.4
357.31769	4.3
367.30045	19.1
384.32620	34.7
385.30923	65.4
386.31314	4.9
402.33682	100.0
403.31927	27.9
419.36288	13.8
420.34705	31.3
437.18655	20.7
437.24750	4.8
437.31680	6.4
437.37320	43.1
438.19025	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	438.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
55.71336	0.7
66.12441	0.8
67.05503	0.9
68.05032	0.7
69.89991	2.4
70.06579	1.6
79.05486	1.2
80.04996	1.0
81.07065	1.3
83.07344	1.8
84.08150	3.6
84.10938	0.7
91.05496	1.0
97.02870	1.7
100.07590	1.0
105.06992	1.2
107.08578	2.5
109.06525	1.1
110.09647	1.9
111.04458	0.9
120.08077	4.4
121.02610	1.2
121.06493	0.9
121.08901	1.3
124.11218	4.5
131.08508	0.7
135.08073	1.7
138.09123	2.1
139.09926	1.2
148.07567	1.2
149.02338	1.7
149.05707	4.0
150.09109	1.3
153.09068	1.1
173.64413	0.7
174.09210	0.8
174.12772	1.3
183.36571	0.9
185.08092	0.8
193.04977	1.5
202.12289	4.6
220.13330	13.1
221.13962	0.9
242.11516	64.0
243.11737	2.8
288.15897	2.0
290.17432	1.0
299.40869	0.9
310.14032	3.5
318.16986	9.6
319.17111	0.9
334.20206	4.2
340.15155	25.8
340.19272	1.6
341.15356	1.6
353.14957	0.8
394.18805	0.8
420.23618	0.8
438.18878	100.0
439.19263	8.8
439.25702	1.4
447.12228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2125
Annotation	Cyclazosin
Peak:m/z	Relative Intensity
55.01863	0.8
55.05508	0.4
55.31661	0.3
57.07077	0.4
59.04992	0.3
59.74576	0.3
65.03924	0.4
67.05492	1.0
68.05010	0.8
69.03432	3.7
69.07061	0.7
70.06592	2.3
71.04995	0.5
71.43966	0.3
72.08148	0.5
73.02939	0.3
73.83552	0.3
79.05481	1.0
80.05024	0.7
81.03417	0.5
81.07042	1.2
82.06577	1.7
83.01295	0.3
83.07350	1.2
84.08138	0.9
85.02897	1.2
86.06082	0.9
86.09702	0.8
87.04485	0.6
91.05482	1.2
93.07034	0.9
94.06561	0.7
95.04958	1.0
95.08577	0.6
96.08122	2.5
97.02892	0.8
97.06548	0.4
98.06062	0.7
99.04452	0.7
105.04501	0.3
105.07011	1.1
106.06572	0.6
107.04975	0.4
107.08585	0.5
108.08102	0.8
109.06513	0.4
110.07168	0.9
111.04435	0.4
111.08066	0.7
112.07575	0.3
113.02348	0.5
114.05538	0.3
115.03929	1.1
117.07016	0.5
118.06544	0.4
118.17439	0.3
119.08542	0.9
120.08085	1.3
121.06507	1.0
122.09656	0.8
123.04448	0.7
124.11222	1.1
125.06012	0.5
126.12785	0.5
127.03906	2.3
127.06265	0.6
128.10704	0.4
129.10226	0.4
131.08528	0.5
133.06483	0.4
134.05989	2.5
134.09616	0.6
135.08069	0.7
136.07545	0.5
136.11227	1.2
137.06036	0.3
137.09608	1.0
138.12758	1.2
140.07109	0.8
141.05508	0.4
141.07867	0.4
145.04942	1.0
145.06560	0.4
145.10062	0.4
147.08017	0.6
147.11665	0.6
148.11176	0.8
149.05919	0.4
149.09605	0.4
150.12773	1.0
151.03897	0.4
152.10683	1.0
153.05466	1.2
154.12251	1.0
159.08049	0.4
162.05508	2.9
162.12758	1.4
163.03879	1.4
164.14354	1.2
166.08672	0.4
170.11768	1.1
175.07559	0.4
176.10690	0.5
176.14307	0.7
177.12752	0.4
180.13802	0.4
182.11748	0.6
190.12280	0.6
191.06943	0.3
193.05042	0.4
194.11754	10.5
194.15471	0.6
204.13855	0.7
208.13293	2.9
222.14908	0.8
223.13092	0.3
232.16931	1.0
233.08177	0.4
234.14891	0.3
236.16418	0.8
244.17036	0.4
247.05934	0.5
250.18021	2.2
256.40515	0.3
259.08264	0.3
260.16458	0.7
278.17535	6.7
279.17816	0.4
280.18970	0.7
313.07138	0.7
318.20502	0.4
329.17087	0.4
334.20151	0.5
358.20068	0.9
373.09030	0.5
376.21228	2.5
388.17673	0.5
391.10181	0.4
420.19888	3.4
438.21146	100.0
439.11908	1.3
439.21460	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	438.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19262	0.8
53.03935	0.9
55.01873	1.2
57.03457	1.0
61.02933	1.1
67.05498	1.7
69.03412	4.4
69.77109	2.9
79.05498	2.2
81.03409	2.2
81.07023	1.1
85.02908	13.1
91.05488	2.6
93.07047	7.5
95.04961	1.6
97.02888	4.3
103.05486	5.7
105.07031	9.5
107.04951	5.3
109.10137	0.9
111.96199	0.8
120.05725	1.8
121.06503	53.1
122.06843	1.2
123.08128	0.8
127.03924	2.0
135.08052	4.3
145.04994	2.1
150.06810	3.4
151.07532	4.3
152.08369	1.2
153.09094	1.3
165.09114	52.0
166.09460	0.9
209.98778	1.0
228.56374	0.9
243.10091	1.1
259.13287	100.0
260.13602	4.7
271.13287	2.2
322.61923	1.0
337.14337	2.5
391.36960	0.8
438.19888	1.6
439.27545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13731	1.2
67.05506	1.9
68.91331	1.1
69.03433	3.0
70.06589	3.6
73.72108	1.3
79.05483	3.2
81.03431	1.6
81.07053	1.8
84.08134	15.2
85.02899	3.6
91.05475	3.6
93.07046	1.9
95.05005	2.2
95.08607	3.4
103.05447	3.9
105.07046	15.9
110.09698	1.4
120.05737	2.2
121.06503	36.6
122.09673	1.4
123.08089	5.8
127.03936	2.0
133.06477	2.8
135.08055	73.1
136.08411	1.9
137.06021	6.0
149.05847	2.0
150.09128	3.4
151.07545	80.5
152.07861	2.5
161.05850	1.3
162.12770	3.0
168.10219	2.9
173.03665	1.9
181.14063	1.3
210.14908	4.6
213.12581	1.2
220.13290	11.6
236.16443	22.3
237.16956	1.7
241.12270	7.5
259.13290	100.0
260.13654	5.2
260.16229	1.4
308.18536	3.1
309.19046	1.6
310.14111	1.6
340.15268	1.8
394.14325	1.9
438.13235	9.3
438.18921	28.7
438.24051	9.6
439.19388	2.1
439.25732	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	438.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05508	0.4
55.31661	0.3
57.07077	0.4
59.04992	0.3
59.74576	0.3
65.03924	0.4
67.05492	1.0
68.05010	0.8
69.03432	3.7
69.07061	0.7
70.06592	2.3
71.04995	0.5
71.43966	0.3
72.08148	0.5
73.02939	0.3
73.83552	0.3
79.05481	1.0
80.05024	0.7
81.03417	0.5
81.07042	1.2
82.06577	1.7
83.01295	0.3
83.07350	1.2
84.08138	0.9
85.02897	1.2
86.06082	0.9
86.09702	0.8
87.04485	0.6
91.05482	1.2
93.07034	0.9
94.06561	0.7
95.04958	1.0
95.08577	0.6
96.08122	2.5
97.02892	0.8
97.06548	0.4
98.06062	0.7
99.04452	0.7
105.04501	0.3
105.07011	1.1
106.06572	0.6
107.04975	0.4
107.08585	0.5
108.08102	0.8
109.06513	0.4
110.07168	0.9
111.04435	0.4
111.08066	0.7
112.07575	0.3
113.02348	0.5
114.05538	0.3
115.03929	1.1
117.07016	0.5
118.06544	0.4
118.17439	0.3
119.08542	0.9
120.08085	1.3
121.06507	1.0
122.09656	0.8
123.04448	0.7
124.11222	1.1
125.06012	0.5
126.12785	0.5
127.03906	2.3
127.06265	0.6
128.10704	0.4
129.10226	0.4
131.08528	0.5
133.06483	0.4
134.05989	2.5
134.09616	0.6
135.08069	0.7
136.07545	0.5
136.11227	1.2
137.06036	0.3
137.09608	1.0
138.12758	1.2
140.07109	0.8
141.05508	0.4
141.07867	0.4
145.04942	1.0
145.06560	0.4
145.10062	0.4
147.08017	0.6
147.11665	0.6
148.11176	0.8
149.05919	0.4
149.09605	0.4
150.12773	1.0
151.03897	0.4
152.10683	1.0
153.05466	1.2
154.12251	1.0
159.08049	0.4
162.05508	2.9
162.12758	1.4
163.03879	1.4
164.14354	1.2
166.08672	0.4
170.11768	1.1
175.07559	0.4
176.10690	0.5
176.14307	0.7
177.12752	0.4
180.13802	0.4
182.11748	0.6
190.12280	0.6
191.06943	0.3
193.05042	0.4
194.11754	10.5
194.15471	0.6
204.13855	0.7
208.13293	2.9
222.14908	0.8
223.13092	0.3
232.16931	1.0
233.08177	0.4
234.14891	0.3
236.16418	0.8
244.17036	0.4
247.05934	0.5
250.18021	2.2
256.40515	0.3
259.08264	0.3
260.16458	0.7
278.17535	6.7
279.17816	0.4
280.18970	0.7
313.07138	0.7
318.20502	0.4
329.17087	0.4
334.20151	0.5
358.20068	0.9
373.09030	0.5
376.21228	2.5
388.17673	0.5
391.10181	0.4
420.19888	3.4
438.21146	100.0
439.11908	1.3
439.21460	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	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01881	2.0
59.03263	1.4
59.34980	1.6
69.03444	7.9
69.07082	4.6
71.08634	47.8
81.03422	6.9
85.02908	20.7
87.00841	9.4
97.02889	10.0
98.22608	3.2
99.04474	2.2
99.08099	100.0
100.08414	1.6
100.48720	1.3
105.01879	6.0
109.02903	5.4
117.01910	1.7
126.28011	1.4
127.03905	10.7
129.12758	11.2
145.04982	8.1
155.08554	12.7
155.14310	2.7
159.02914	3.8
173.15382	76.9
231.05087	2.4
345.25189	1.9
438.20911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2488
Annotation	Racemodine
Peak:m/z	Relative Intensity
55.05503	0.9
61.98410	0.6
67.05499	1.2
69.03429	3.9
69.69063	2.3
69.69396	0.6
70.06594	4.1
71.04996	2.2
79.05488	1.5
80.04998	0.6
81.07054	1.3
82.06594	1.0
83.04964	0.7
84.08159	1.9
91.05494	1.0
93.07049	1.5
94.06590	0.9
95.07299	0.7
95.08602	1.3
96.08128	3.3
97.02876	1.0
97.06519	1.2
97.08918	1.6
97.59161	0.5
99.04512	0.8
107.08617	0.8
108.08123	1.5
109.06521	0.8
110.09707	3.0
111.04445	1.5
111.08089	18.4
111.08835	1.2
113.09663	0.9
119.08605	1.4
122.09690	2.8
123.10435	1.1
124.11252	4.0
125.05943	1.0
125.09674	1.0
134.09660	1.8
135.08109	0.7
136.11214	2.0
138.12856	0.8
139.07539	2.5
140.08379	1.7
148.11209	1.2
150.09169	1.1
152.10759	2.2
153.05574	0.8
153.09135	1.0
154.12277	2.6
162.12781	2.3
164.14410	1.0
167.07069	0.7
168.10159	1.4
176.10593	1.0
178.15929	1.2
180.13879	3.4
182.11771	1.5
182.15463	1.1
184.13353	2.3
190.16000	0.8
192.13927	0.7
195.16197	3.0
196.13251	0.8
198.14935	1.2
208.16960	3.2
210.14946	0.9
234.14969	1.8
236.16486	2.6
237.11232	1.5
250.18033	2.6
261.53528	0.6
266.17120	0.7
272.89429	0.6
275.45547	0.6
294.64969	0.6
308.18701	2.2
314.17520	0.8
320.18756	1.0
322.20093	1.0
332.18539	6.5
335.17102	0.7
340.21210	1.1
391.44562	0.7
402.23166	0.7
406.22275	5.8
420.23782	23.7
421.24106	1.8
438.24860	100.0
439.25189	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	438.2488
Annotation	Racemodine
Peak:m/z	Relative Intensity
50.99751	0.3
55.01864	0.4
55.05510	0.6
56.31491	0.3
56.93385	0.3
60.16936	0.3
61.03219	0.3
66.91892	0.3
67.05511	0.9
69.03419	4.7
69.36995	1.3
69.77677	0.3
70.06590	6.3
71.05000	1.0
79.05500	1.3
80.05017	0.6
81.07073	0.8
84.08137	1.6
86.72298	0.3
91.05496	0.7
93.07047	1.2
94.06542	0.6
95.04968	0.6
95.08604	0.9
96.08122	1.0
97.02878	0.4
97.06516	0.4
97.08920	0.4
99.04472	1.4
102.19476	0.3
103.32862	0.3
105.07032	0.8
107.04976	1.4
107.08596	0.6
108.08171	0.3
109.06532	0.6
109.10176	0.3
110.09644	1.3
111.08084	4.0
119.08578	0.4
120.08090	0.4
122.09657	1.0
123.08076	2.1
124.08823	0.3
124.11248	0.5
125.06024	0.3
127.03917	2.8
129.05484	0.4
133.06506	0.7
134.09645	0.6
135.04361	0.3
136.11209	0.8
137.09607	0.5
137.11996	0.4
138.12828	0.3
139.07529	1.1
141.05453	1.5
145.10049	0.3
148.11171	0.4
150.09155	0.9
150.12836	0.3
152.10733	1.0
153.09091	0.5
157.66818	0.3
162.05544	0.6
162.12770	0.9
165.09135	1.0
165.52229	0.3
167.07031	25.6
168.07472	0.3
168.10222	0.6
170.11746	0.5
180.13730	0.4
182.11737	2.8
183.10194	0.4
184.13332	2.7
200.14452	0.3
218.15402	0.9
233.11755	0.7
234.14795	0.4
236.16400	2.0
248.16449	0.4
251.12784	7.5
252.13248	0.4
264.19611	1.5
266.94925	0.4
274.18112	0.4
280.15524	0.5
292.19052	7.5
310.20135	3.2
320.18652	0.5
322.20132	2.2
332.18771	0.4
346.20081	5.9
347.20547	0.3
365.44080	0.3
368.64380	0.3
402.22867	0.5
406.22406	0.4
420.23801	17.9
421.24088	1.0
438.24847	100.0
439.25165	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	438.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39873	0.6
55.05515	10.3
55.75087	0.6
57.03439	6.6
57.07085	6.1
60.84276	0.6
65.95449	0.7
67.05513	7.2
67.25979	0.6
69.07070	14.6
69.49961	2.9
71.04990	0.8
71.08604	2.6
76.27369	0.6
79.05505	4.6
81.06641	0.7
81.07063	7.8
83.04956	1.6
83.08628	13.6
84.08135	1.0
85.10152	1.3
91.05459	1.2
93.07048	5.3
95.08596	4.7
97.06530	5.1
97.10167	4.6
102.39578	0.6
107.08591	4.4
109.10156	4.8
111.08035	1.3
111.11688	1.5
121.06496	0.9
121.10163	5.5
123.11684	2.2
125.09593	1.0
135.11687	3.8
149.05736	1.8
149.13254	3.3
165.05489	1.9
182.15025	0.7
220.13295	0.7
223.29227	0.6
266.24780	1.7
271.61121	0.6
288.15991	1.8
297.24246	100.0
298.24658	5.1
310.14090	2.5
349.95529	0.8
353.20316	1.3
357.19864	2.0
438.19128	26.5
438.24884	1.7
439.19550	2.0
439.26428	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	438.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
57.07077	100.0
58.07383	2.1
68.73233	1.6
69.07063	1.9
70.06585	9.5
71.44880	1.4
81.07011	2.5
112.08720	2.5
116.07078	3.8
158.09229	4.2
207.13623	3.7
222.69456	1.9
235.11861	3.9
236.12735	5.0
291.19409	30.4
319.17633	26.6
320.18182	3.7
337.18698	21.3
338.19238	2.7
375.25122	10.2
421.24515	11.3
438.18869	14.2
439.36444	18.9
449.60873	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	438.2981
Annotation	phosphoethanolamine (P-16:0)
Peak:m/z	Relative Intensity
53.15283	2.3
54.69555	2.0
55.05511	35.3
56.98076	2.0
57.03428	14.1
57.07070	23.8
58.23858	2.0
62.06080	6.9
64.43376	2.1
67.05501	15.7
69.07063	62.2
69.17277	5.4
69.17673	11.2
70.95824	1.9
71.08633	18.2
75.04482	33.1
79.05473	4.5
81.07056	25.1
83.08617	57.1
85.10175	11.5
85.37942	2.3
95.08613	19.6
97.10165	53.4
98.98459	87.5
109.10162	10.7
111.11701	23.3
121.06480	2.2
123.11705	8.4
124.01568	6.6
125.13290	8.2
132.03488	2.3
135.11731	2.4
137.13260	2.5
139.14836	2.1
142.02615	15.1
149.05682	3.5
153.16438	2.7
155.01070	4.9
163.22725	2.2
173.02100	100.0
177.11392	2.5
180.42535	2.6
219.16490	2.1
220.13283	3.2
261.25677	2.9
279.26910	9.4
297.27881	3.8
310.14249	7.5
328.07263	2.5
357.20108	29.1
395.25586	82.1
396.26147	4.0
438.18985	46.0
438.29581	31.8
439.19125	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	438.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.07079	74.6
68.33982	1.3
69.07064	10.5
70.63001	1.9
71.08636	67.6
73.06554	2.1
83.08599	3.2
85.10186	39.7
87.04453	2.1
88.86003	1.3
89.06035	100.0
95.08594	1.8
97.10187	4.3
99.11732	6.5
107.07056	2.5
111.11723	2.8
113.13285	5.2
125.13336	1.6
127.14808	2.6
130.08702	2.9
133.08609	69.5
149.20026	1.3
151.09669	5.9
177.11264	16.4
195.12222	3.8
221.13849	1.6
227.23906	1.4
239.14908	65.4
240.15178	2.5
261.61261	1.3
271.26407	3.2
315.28870	2.6
421.35269	63.0
422.35590	3.9
438.18842	10.7
439.29807	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05503	0.7
56.05040	0.4
67.05506	1.0
69.03434	1.3
69.37354	0.8
69.37756	0.5
70.06593	1.5
71.04987	0.7
79.05487	1.3
80.05023	0.7
80.05824	0.4
81.07053	0.9
82.06573	0.4
82.07372	0.4
84.08132	0.9
85.02884	0.3
85.06579	0.3
87.84995	0.2
88.03990	0.8
91.05490	0.8
92.05843	0.4
93.07055	0.6
94.06578	0.6
94.07353	0.3
95.04971	0.3
95.08630	0.4
96.08154	0.4
97.06529	0.4
98.22734	0.6
99.04454	0.3
105.07046	0.8
106.07359	0.5
107.08582	0.8
108.08162	0.4
108.08888	0.4
109.06513	0.3
109.10161	0.6
110.09731	0.3
111.08101	0.4
112.74605	0.3
118.07352	0.2
120.08131	0.4
120.08940	0.4
122.09666	0.8
123.08020	0.3
123.09994	0.7
125.05992	0.7
125.09647	0.4
126.06293	0.4
127.07590	0.3
131.08601	0.5
133.10164	0.3
134.09642	0.7
134.10507	0.4
135.08119	0.3
135.10016	0.5
136.11182	0.5
137.06010	0.6
146.09584	0.5
147.09984	0.4
148.11195	1.6
149.11546	1.2
150.09140	0.9
151.09479	0.8
152.10692	0.4
158.09561	0.3
160.11185	0.7
161.11607	0.4
162.09019	0.5
162.12799	0.9
163.09468	0.3
163.13129	0.9
164.10820	0.4
168.10176	0.4
169.10542	0.3
174.12730	0.4
175.13100	0.4
176.10709	0.6
177.11029	0.3
182.11781	1.4
183.12080	0.9
185.05727	0.3
186.12903	0.3
187.13251	0.3
188.10701	0.3
188.14429	0.3
194.11739	0.4
195.12198	0.4
197.13841	0.3
199.13228	0.2
203.12637	0.4
205.14127	0.4
216.13777	0.4
217.14276	0.4
219.12259	0.4
220.13359	0.8
221.13655	0.6
223.15338	0.3
232.13155	0.4
233.13719	0.8
234.14839	2.2
235.15221	3.3
237.16713	0.3
243.10127	0.3
244.13295	0.3
246.14801	0.6
247.15375	1.0
248.16292	1.5
249.16814	1.6
251.18353	0.8
252.15994	0.7
253.16330	1.1
260.16479	1.4
261.16824	2.9
272.16501	0.3
273.16837	0.6
274.18097	0.4
275.18317	0.7
278.17532	0.4
279.17947	0.4
289.16452	0.3
297.19193	0.4
301.20102	0.3
309.18884	0.5
315.17899	0.4
318.17029	0.6
321.18970	0.7
323.20416	0.3
329.19537	0.5
333.18948	0.6
335.20447	0.4
336.17874	0.3
346.20126	1.1
347.20428	6.1
348.20886	0.6
363.19894	0.3
365.21445	3.6
375.23563	0.8
385.22021	0.4
393.24561	0.5
403.23071	1.4
407.22580	0.3
421.24121	19.8
422.13943	0.5
422.24350	1.1
439.25168	100.0
440.25977	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	439.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05516	1.0
56.05027	0.7
57.03443	0.4
57.39724	0.4
63.68091	0.4
67.05499	0.8
69.03440	1.0
69.07063	0.8
70.06596	1.5
71.45464	0.3
73.02905	1.2
81.07053	0.8
82.06591	0.4
84.08144	100.0
84.25449	0.4
85.02897	2.4
85.08472	1.9
91.05483	1.3
95.08601	4.3
96.08144	0.5
97.02914	1.1
98.97536	0.5
99.04535	0.4
105.03382	0.5
105.07044	0.5
106.06548	0.5
107.04954	1.1
108.08108	0.6
110.59435	0.4
111.11719	0.4
115.03989	0.6
120.08111	0.7
120.72959	0.4
121.06502	0.6
122.09680	0.9
123.04426	2.3
123.08070	1.3
123.10496	0.4
127.03915	1.0
133.04967	1.1
136.52425	0.3
137.05992	0.4
145.05000	1.1
146.09630	0.5
151.07582	2.0
155.08563	0.7
173.09612	0.8
174.12848	0.7
191.10623	0.6
200.70639	0.4
202.12335	0.5
210.14879	0.7
211.15280	0.4
220.13321	85.0
221.13708	4.4
236.16530	1.0
237.16719	0.8
241.12276	0.8
242.12407	0.4
259.08072	0.4
259.13321	0.4
294.45520	0.4
298.18011	0.4
308.87729	0.3
378.20197	0.6
395.16660	0.7
396.21512	5.8
419.79041	0.4
439.25934	56.1
440.20364	12.5
440.26068	5.4
459.22040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40171	0.2
70.70835	0.5
87.06586	0.2
89.06000	0.2
120.81667	0.2
149.13348	0.2
158.41348	0.3
163.39807	0.2
311.14008	0.2
327.23642	0.4
335.24319	0.6
347.24390	0.3
353.25296	0.3
365.25467	0.5
383.26505	0.6
439.30289	100.0
440.30621	6.9
440.35535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26199	1.0
53.03946	1.6
55.05513	7.0
57.07072	7.1
58.07408	1.1
67.05509	10.7
69.07063	8.1
69.29382	5.2
71.08628	5.8
72.08971	1.5
79.05500	5.7
81.07059	20.0
83.04953	1.6
83.08630	1.4
85.06540	1.2
85.10170	2.4
89.06038	10.8
90.06408	1.8
91.05450	5.9
93.07050	17.8
93.07597	1.3
95.04997	2.3
95.08606	17.3
95.09126	1.3
97.06549	3.1
97.10204	2.0
99.08070	1.2
105.04508	1.1
105.07031	10.5
107.08593	18.0
107.09259	1.5
109.06525	1.9
109.10156	17.7
119.08572	11.5
121.10156	10.5
122.07326	1.4
123.08053	1.3
123.11703	7.1
125.09658	1.6
131.08580	1.7
133.08633	7.4
133.10120	7.7
134.09001	2.6
135.08122	2.6
135.11694	10.7
137.09641	9.0
137.13260	2.1
139.07608	1.1
145.10103	5.4
147.11687	8.9
149.09680	3.6
149.13240	5.1
151.07562	10.0
151.09724	1.2
153.12726	1.2
159.11726	3.1
161.09665	1.3
161.13342	4.0
163.14857	1.2
165.09117	100.0
166.09512	3.2
173.09697	1.3
173.13280	2.2
175.07616	1.1
175.11284	1.7
175.14949	3.2
177.09178	4.7
177.11382	1.3
177.16379	1.3
179.10774	3.0
182.11777	1.4
187.11237	2.0
189.09167	4.0
189.12820	2.6
189.16469	3.4
191.10683	7.6
201.16443	3.0
202.09998	1.2
203.10663	6.3
203.18068	4.8
205.12230	16.7
205.14000	1.1
216.11559	2.0
217.12332	1.9
219.13806	1.8
221.11786	2.3
229.12354	1.8
231.13745	5.0
233.11845	1.8
239.14999	8.2
240.15221	6.2
243.14027	2.7
245.15358	1.6
249.14986	1.4
257.15634	1.4
257.22739	1.4
261.18643	1.1
269.15491	1.3
283.17062	1.1
297.18649	1.3
421.31064	6.8
422.35873	2.8
439.23193	1.7
439.33759	38.1
440.34012	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	440.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.05524	1.6
57.03431	1.0
57.85607	0.6
61.23793	0.5
65.03941	1.2
67.05498	1.9
68.05013	0.6
69.03422	3.6
69.07077	1.3
70.06596	4.6
71.04993	2.2
75.31772	0.5
77.03932	1.7
79.05487	1.5
80.05048	1.0
81.03416	1.5
81.07058	1.4
83.04968	1.0
84.04498	0.6
84.08138	0.7
85.02906	6.6
87.04457	1.0
91.05480	64.6
92.05833	1.3
93.07044	1.1
94.06594	1.3
95.04967	7.4
95.08611	1.5
96.08167	1.0
97.02898	2.0
97.06542	0.7
99.00845	0.7
99.04466	1.9
100.07630	1.1
105.03395	75.6
105.04533	1.9
105.07036	0.9
106.03744	1.5
107.04971	1.4
107.08604	1.8
109.02885	1.7
109.06512	1.7
110.09706	0.9
111.04449	0.6
111.08060	2.6
112.07576	1.3
115.03966	2.6
119.04898	0.6
119.08624	1.3
121.06541	0.6
121.10169	1.0
122.09672	1.2
123.04388	1.0
123.08100	1.3
125.05980	1.4
125.09584	1.2
126.09144	0.6
127.03938	2.2
129.05487	0.7
129.09106	1.2
133.04962	0.7
136.11166	1.0
137.05974	21.6
138.06375	0.6
138.09157	1.4
139.07538	1.0
139.11160	0.9
140.10707	1.6
141.05472	2.4
142.12276	1.9
145.04974	1.7
146.06004	1.2
147.08058	0.9
149.09618	0.8
151.03906	11.6
152.10757	0.9
153.09140	0.8
154.12401	0.7
155.07062	3.5
156.10184	1.2
157.12389	0.6
158.11792	1.2
162.03101	1.0
164.07004	0.8
165.05484	1.6
165.06874	0.6
165.09114	0.7
171.96494	0.7
184.13312	1.3
197.09604	0.7
199.13202	0.8
210.06735	1.5
216.29225	0.5
224.16481	0.8
225.09158	1.5
243.10162	100.0
244.10484	5.1
250.18216	0.7
261.11026	0.6
334.19968	1.4
342.22781	0.9
408.23712	1.6
422.21384	3.5
422.25452	4.3
423.21671	0.8
440.14990	1.3
440.22427	13.9
440.26709	13.1
441.22263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
57.22625	0.4
61.02915	0.6
65.03926	0.9
67.05491	0.6
69.03429	1.8
70.06581	0.8
70.21120	1.5
70.31533	0.5
71.04978	0.4
77.03957	1.2
81.03405	1.1
84.08157	0.7
85.02903	5.9
88.40849	0.4
91.05478	86.5
92.05819	1.3
95.04959	2.7
97.02885	1.7
98.23428	0.5
105.03388	45.7
106.03702	1.1
109.06544	0.9
111.08058	1.1
122.09689	0.6
127.03913	1.2
134.09727	0.5
137.05968	17.4
141.05487	1.0
145.04924	1.1
147.04402	0.5
151.03905	13.2
151.04890	0.5
164.10550	0.5
179.08504	0.9
182.07260	0.7
182.11755	1.0
197.09589	3.7
207.07964	0.7
219.01953	0.5
225.09088	2.3
243.10159	100.0
244.10498	4.3
252.15944	0.6
306.38980	0.5
308.18671	1.1
336.18051	0.6
352.21127	0.7
394.21664	0.6
404.20599	0.9
422.21823	3.1
440.16751	1.2
440.22797	22.8
441.23160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.5
54.34776	0.5
55.01878	1.1
55.05504	3.8
56.05027	2.6
56.70110	0.5
67.05512	1.5
68.05041	3.3
69.03433	1.8
69.07072	4.1
70.06594	4.6
71.04994	0.9
71.19683	0.8
72.04533	0.7
72.08162	1.1
79.05504	2.2
80.05016	33.9
81.05332	0.7
81.07069	1.9
82.06595	1.7
83.05004	1.0
84.04535	1.3
84.08138	2.7
85.02913	1.1
85.06583	0.7
86.06095	1.3
86.09711	1.8
91.05484	1.1
93.07029	0.6
94.06586	1.7
95.04979	0.7
95.08618	1.6
96.08139	3.4
97.02920	0.9
97.06542	2.7
102.91886	0.6
105.07024	2.8
108.08099	0.8
109.06531	1.5
110.07177	1.7
110.09691	0.6
111.08102	1.5
112.07604	0.7
112.11238	5.9
115.03954	1.0
120.08097	1.4
122.09669	32.8
123.04431	0.8
123.08064	1.3
123.09993	0.8
125.05895	0.6
126.12098	0.5
127.03917	0.8
133.67590	0.5
134.09651	0.9
137.05966	1.7
138.09071	0.9
140.10701	75.0
141.11057	1.3
146.06013	17.3
147.06429	0.7
150.05553	0.9
150.09131	1.4
152.10670	1.0
156.07616	1.2
158.11763	100.0
159.12070	1.9
161.09669	0.9
162.12740	0.9
163.04031	0.6
168.10164	0.9
174.09178	0.5
180.13875	0.7
182.11777	1.9
192.06577	8.3
200.12689	1.1
236.16461	3.0
292.19058	1.8
308.18887	0.7
309.07809	0.6
310.19983	1.6
348.18027	1.3
376.21024	1.1
394.22070	1.0
404.20142	0.7
422.21680	7.3
440.15930	5.6
440.22488	39.1
441.22968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05501	2.3
56.05017	0.9
57.03425	1.9
63.04265	0.8
66.70243	0.7
67.05505	2.2
68.05034	1.8
69.03431	7.4
69.07059	4.2
70.06578	2.1
71.04985	5.2
71.08623	1.3
71.45058	1.0
73.02898	1.2
79.05482	3.4
80.05019	7.1
81.03418	3.4
81.07043	3.4
82.03713	0.8
82.06566	1.1
82.95814	0.9
83.01338	2.1
83.04982	1.1
85.02906	9.9
85.06536	1.3
86.03255	0.8
86.06075	1.3
87.04470	1.4
91.05471	1.4
93.07035	2.4
94.06563	2.7
95.04970	2.7
95.08610	2.3
96.08107	1.2
97.02905	4.2
97.06526	1.9
99.04453	3.2
99.08110	0.9
100.04861	1.0
100.07630	1.9
101.02376	3.6
105.07010	1.7
107.08595	1.2
109.02859	2.4
109.06514	3.1
111.04398	1.3
111.08089	3.9
112.11271	1.8
113.06018	4.3
115.03935	8.8
115.07609	1.1
116.04131	0.8
119.08590	1.2
121.06513	1.1
121.10133	6.6
122.09682	5.4
123.08085	1.5
124.07564	1.2
124.11195	4.0
125.06001	5.7
127.03925	8.3
127.07564	1.4
128.04250	1.8
133.04927	2.3
136.11227	1.6
137.05962	1.0
138.09131	1.3
138.12825	1.6
139.07462	0.8
139.11192	2.2
140.10692	12.2
142.12265	15.1
143.03383	1.0
145.04964	6.1
148.11134	1.1
150.09073	1.5
152.10689	1.6
153.12758	2.8
154.12207	1.3
155.07054	1.5
156.10222	1.1
156.13844	0.8
157.12270	1.2
158.11761	17.0
162.03123	1.0
162.12749	1.6
163.11223	3.2
166.08624	1.6
168.10165	1.2
177.05501	0.8
180.13693	0.8
181.12201	8.0
182.11742	1.3
183.06590	1.0
184.09653	2.6
188.10736	0.8
188.53058	0.8
199.13304	33.5
200.13594	0.9
202.10716	2.1
204.13878	2.7
206.15459	1.1
207.02754	1.3
219.10103	1.1
222.14839	1.4
224.16533	1.3
236.16402	1.3
237.11179	0.8
248.16399	0.9
259.08273	0.9
260.16467	1.9
276.15967	2.7
277.09106	1.6
278.17581	2.4
296.18521	0.9
330.25558	0.8
348.17944	1.0
358.19977	1.1
366.15195	1.0
376.21109	1.9
394.22336	1.1
404.20663	4.9
422.13382	1.8
422.21704	27.0
423.22061	1.8
440.12592	4.5
440.22751	100.0
441.22995	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	440.2282
Annotation	Parsonsine
Peak:m/z	Relative Intensity
50.65729	0.3
53.15764	0.3
55.01866	0.6
55.05492	0.4
56.96568	0.3
67.05504	0.9
68.05010	0.7
69.03424	3.0
69.07074	0.3
69.48417	0.3
69.56068	0.3
69.56393	1.4
70.06594	2.8
70.33872	0.3
71.04994	4.7
79.05490	1.0
80.05016	1.3
81.03413	2.3
81.07059	0.9
82.06566	1.0
83.04982	0.4
84.08145	1.3
85.02895	2.1
85.06554	1.6
86.06086	0.6
87.04469	0.7
91.05495	1.6
93.07059	1.5
94.06567	0.7
95.04962	1.6
95.08604	0.9
96.08150	1.9
97.02882	0.8
97.06557	0.5
97.08919	0.5
98.06059	0.7
98.97593	1.5
99.04459	1.3
101.06007	0.5
105.07052	0.6
107.04996	0.5
107.08568	0.9
108.08141	0.5
109.02870	0.4
109.06536	0.6
109.08833	0.3
109.10115	0.4
110.09693	1.0
111.04463	0.4
111.08084	2.0
112.07555	0.4
113.05983	0.7
115.03933	1.3
116.98647	0.4
119.08575	0.6
120.08111	0.4
121.06544	0.5
121.10141	0.7
122.09650	2.2
123.08072	0.8
124.07588	0.4
124.11254	1.5
125.05999	0.7
126.09190	0.8
127.03928	0.9
128.98691	0.3
131.08589	0.7
134.09644	1.2
135.08102	0.4
136.11211	4.9
138.09174	0.6
138.12772	1.1
140.10678	1.0
145.04941	0.9
145.06537	0.4
146.09697	0.5
147.08070	0.6
150.09161	2.9
152.10706	7.6
154.12234	2.0
158.99660	0.3
159.08057	0.4
162.12788	1.1
164.09253	0.4
164.10692	0.6
164.14345	3.8
165.09149	0.6
166.12236	0.5
166.15933	0.4
168.10233	2.7
170.11774	0.6
180.10197	0.6
180.13786	1.1
182.11789	4.2
190.12225	0.4
192.94124	0.4
201.00700	0.5
208.13345	1.1
219.01776	0.6
222.15005	0.7
224.16399	0.6
234.14940	2.4
236.16437	3.8
252.15976	5.1
260.09210	0.5
260.16531	1.1
261.02859	0.7
262.18063	0.8
263.18671	0.5
264.16046	0.5
264.19632	0.8
274.97592	0.4
278.17487	3.2
292.19135	1.3
296.18735	0.4
308.18573	1.8
316.19263	0.6
322.20059	2.8
334.20041	2.3
336.17825	0.3
338.19678	1.6
350.19858	1.9
351.20404	5.9
352.21179	31.6
353.21439	2.0
376.21185	0.9
378.22668	1.3
394.22147	4.2
404.20709	0.6
412.23605	0.5
422.21744	4.3
440.22797	100.0
441.23087	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	440.2281
Annotation	Parsonsine
Peak:m/z	Relative Intensity
53.03939	0.5
54.07072	0.4
54.52139	0.3
55.05515	2.0
56.05035	2.1
59.40891	0.5
67.05490	1.3
68.05013	1.7
69.03442	1.9
69.07069	3.9
69.34677	1.3
69.35085	0.7
70.06579	1.3
71.04982	0.5
71.55498	0.3
79.05487	2.7
80.05019	28.3
81.03419	1.5
81.07068	1.9
82.06562	1.6
84.04483	0.8
84.08128	1.4
85.02914	2.3
86.06078	0.8
91.05473	0.9
93.07040	1.1
94.06569	1.9
95.04956	0.8
95.08592	1.1
96.08133	2.9
97.02915	0.6
97.06534	2.7
98.06024	0.7
98.22653	0.7
99.04456	0.9
100.07590	0.6
105.07035	2.0
106.94329	0.5
108.08096	0.6
109.06511	1.2
111.04369	0.4
111.08090	1.1
112.07594	1.1
112.11256	5.9
113.05978	1.4
119.08561	0.4
120.08074	0.9
121.10102	0.5
122.09667	27.7
123.08047	1.0
127.03920	1.5
127.07531	0.8
131.08549	0.5
135.08087	0.6
137.05957	0.8
139.07553	0.6
139.11165	0.7
140.10701	69.9
141.11037	1.2
142.12259	1.2
145.04979	1.2
150.09167	1.0
151.07562	0.5
152.10765	0.7
153.05399	0.6
158.11765	100.0
159.12123	2.2
168.10255	0.4
182.11783	0.6
199.13310	2.6
202.95988	0.4
236.16495	1.1
260.09201	0.8
260.16464	0.5
278.17636	1.5
296.18564	1.3
324.17935	0.5
366.15472	0.5
394.22418	0.6
404.20712	1.1
422.21732	7.2
440.22784	37.5
441.23141	1.9
456.73999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01875	8.1
55.05515	12.5
55.42316	1.0
55.43871	1.1
57.03434	14.9
57.07080	3.5
59.04999	1.8
61.02925	13.8
67.05497	5.0
69.03431	41.4
69.07069	45.3
71.01355	4.3
71.04989	7.4
71.05343	1.6
71.08626	1.6
73.02917	64.4
79.05474	2.6
81.03421	18.4
81.07063	5.3
83.04982	3.0
83.08627	13.7
85.02904	100.0
86.03246	1.1
87.00829	18.1
87.04469	3.9
91.03954	3.1
91.05489	5.1
91.95548	1.0
93.07040	4.2
95.04976	5.7
95.08591	6.3
97.02894	57.3
97.06506	1.8
97.10171	3.2
99.04456	8.6
99.08080	1.2
103.03944	3.3
105.01861	19.1
105.07051	5.0
107.04938	1.2
107.08604	4.7
107.34634	1.3
109.02883	18.0
109.06522	4.4
109.10151	3.5
110.97676	1.0
111.04444	2.2
111.11719	20.5
114.00710	1.0
115.03931	22.7
117.07011	1.1
119.08575	10.6
121.06540	2.6
121.10150	3.8
123.08079	1.8
123.11703	2.7
127.03914	49.0
129.01866	1.7
129.05533	1.2
131.08557	3.0
133.04967	28.1
133.10109	11.8
135.08130	2.0
135.11688	5.5
137.05943	2.8
137.09665	1.5
137.13240	1.3
139.03888	1.2
143.08559	1.7
145.04956	38.7
145.10156	3.2
147.08092	1.8
147.11694	3.5
149.09618	1.6
150.07651	2.5
151.11165	1.9
157.10126	3.0
157.15883	15.3
159.02927	3.3
159.07951	1.3
159.11678	3.3
161.09619	3.5
161.13243	2.8
163.06023	19.2
164.85568	1.1
165.12723	1.1
169.47467	1.0
171.08014	1.1
171.11694	3.6
173.13231	5.6
174.03802	2.1
175.14798	8.8
177.12778	1.5
177.16362	1.6
179.10675	1.7
183.11826	1.4
185.13280	2.3
187.14783	1.6
189.12817	1.2
191.14307	2.3
192.04721	2.3
193.05028	1.8
193.15840	2.5
197.13330	1.5
199.14799	1.8
201.12799	1.4
203.14299	2.2
207.11978	1.4
207.13811	2.3
213.03929	1.9
217.07095	1.3
217.15808	3.7
219.13661	1.3
223.06039	3.9
225.12836	1.8
225.14931	2.1
231.05013	9.0
235.16965	3.3
241.07098	9.3
241.15834	1.4
243.16022	3.4
249.06090	1.7
255.15816	1.3
259.08026	8.8
277.09387	1.5
277.18066	2.3
283.17029	1.8
295.10062	2.9
349.90439	1.1
350.74487	1.1
405.19293	1.6
423.20041	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	440.264
Annotation	Parsonsine
Peak:m/z	Relative Intensity
55.01887	0.7
55.05515	0.9
59.04994	0.4
60.00479	0.4
67.05524	0.8
69.03416	3.9
70.03789	0.5
70.06585	3.2
70.51865	0.8
71.04996	5.6
79.05502	0.9
80.05032	0.6
80.62998	0.4
81.07056	1.3
82.06571	0.6
84.08148	1.1
85.06582	0.7
87.04467	0.9
91.05507	0.9
93.07066	1.1
94.06582	1.0
95.04977	1.0
95.08632	1.4
96.08116	2.6
97.06543	0.9
97.08942	0.5
99.04447	8.2
105.07056	1.0
107.08626	1.3
108.08140	0.7
109.06510	1.0
109.10201	0.5
111.04494	0.6
111.08075	8.2
119.08568	1.1
121.06516	0.5
122.09722	1.0
123.08064	4.5
124.11221	1.7
125.05959	0.7
125.09670	1.4
134.09692	0.9
135.08075	0.8
136.11226	1.6
137.06079	0.5
137.09592	1.0
139.07556	0.7
146.09679	0.5
147.08080	1.7
148.11264	0.5
150.09186	0.9
151.07555	0.7
152.10678	2.9
155.07074	1.0
160.11203	0.5
162.12738	0.6
165.09093	2.0
166.12285	0.6
175.11218	1.5
179.10680	0.5
180.13846	1.0
182.11807	1.5
183.10217	0.7
184.13327	2.0
193.12302	2.5
198.14975	0.6
200.12767	0.5
203.10716	0.9
211.13240	0.8
221.11690	2.5
228.26865	0.4
239.12776	3.9
250.14444	0.6
250.18100	0.9
262.17978	0.6
278.17462	0.5
308.18716	0.9
316.18951	0.6
334.20114	10.8
334.23837	0.8
335.20599	0.6
371.40253	0.5
390.23056	1.7
404.24365	0.8
408.23813	7.8
409.24243	0.7
420.22949	0.6
422.25360	30.8
423.25720	2.6
440.26443	100.0
441.26779	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	440.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05518	0.9
56.05045	0.6
57.03426	0.4
58.06597	0.4
59.05013	0.5
61.43010	0.3
67.05519	1.1
69.03425	4.9
69.88118	0.7
69.88443	0.4
70.06598	4.0
71.04990	5.8
71.05360	0.5
79.05502	1.3
80.05018	2.2
81.03433	1.1
81.07054	2.2
82.06582	0.8
83.04982	0.7
84.08148	1.3
85.02914	1.1
85.06542	1.0
87.04482	0.8
88.39047	0.3
90.58492	0.3
91.05485	1.0
92.09853	0.3
93.07060	1.3
94.06557	0.7
95.04963	1.7
95.08630	1.3
96.08141	1.8
97.06547	0.7
99.04457	7.3
105.06437	0.3
105.07014	1.6
107.08614	1.3
108.08114	0.8
109.06519	6.5
109.10216	0.7
111.04472	0.7
111.08087	7.8
112.08425	0.3
112.38318	0.3
113.06017	0.6
115.03953	0.8
119.08597	1.3
120.08127	0.8
121.06498	0.5
121.10146	0.5
122.09676	1.3
123.08068	3.9
124.11254	0.9
125.06015	0.7
125.09654	1.5
126.09168	0.4
127.07599	0.6
131.08545	0.5
133.10181	0.5
134.09705	0.8
135.08054	0.8
136.11243	1.1
137.06006	1.2
137.09637	1.2
138.09148	0.9
138.12767	0.4
139.07573	0.9
141.05525	0.4
145.10098	0.4
146.06000	4.3
146.09703	0.5
147.06482	0.3
147.08020	1.7
147.11777	0.5
148.07564	0.4
148.11232	0.6
149.09639	0.9
150.09172	1.2
152.10739	2.8
154.12271	0.5
155.07076	1.5
156.10275	0.6
160.11238	0.7
161.09746	0.3
162.09143	0.5
162.12820	0.6
162.31284	0.3
163.13672	0.3
164.10742	0.6
164.14258	0.4
165.09169	2.3
166.12312	0.8
175.11182	1.8
179.10669	0.7
180.13922	1.0
182.11861	1.2
183.10281	1.3
184.09743	1.0
184.13289	2.5
192.06566	2.2
193.12238	2.5
195.10150	0.4
196.13377	0.5
197.11688	0.4
198.14963	1.0
202.10822	0.7
203.10777	0.7
211.13316	0.4
214.14395	0.5
221.11661	2.5
236.16537	0.3
239.12796	4.5
244.16925	0.4
250.18059	1.0
278.17538	0.6
287.59592	0.4
288.16144	0.4
308.18600	0.7
316.19150	0.4
334.20096	10.6
335.20575	0.7
344.88818	0.3
390.22794	1.3
404.24750	0.7
408.23798	8.8
408.29153	0.5
409.24023	0.6
422.25436	32.4
423.25745	2.2
440.26547	100.0
441.26904	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	440.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87796	0.6
55.01875	0.9
55.05509	1.4
63.10307	0.4
67.05497	1.7
68.05022	0.4
69.03432	5.6
69.07091	0.5
70.06592	5.8
70.69024	0.7
71.04704	0.4
71.05003	5.9
75.03471	0.4
79.05471	1.5
80.05004	1.8
81.03423	1.8
81.07042	1.7
82.06573	1.2
83.04976	0.6
84.08134	1.9
85.02908	2.6
85.06507	0.8
86.06075	0.7
87.04482	1.0
91.04943	0.9
91.05483	13.5
92.05785	0.8
93.07030	1.8
94.06562	1.3
95.04969	3.0
95.08595	2.1
96.08150	2.7
96.46754	0.4
97.02896	1.0
97.06542	1.1
97.08921	0.6
99.04459	9.1
100.07616	0.9
105.03397	12.0
105.04496	0.6
105.07030	2.1
107.08597	1.7
108.08132	1.1
109.06553	2.3
109.08883	0.7
109.10123	0.6
110.09680	1.5
111.04406	0.5
111.08082	11.4
112.07618	0.6
115.03913	1.8
119.08564	1.1
120.08089	0.9
121.06493	0.5
121.10140	0.7
122.09657	1.6
123.04440	0.5
123.08077	4.5
124.11218	1.8
125.05963	1.0
125.09632	2.1
127.03933	0.9
131.08571	0.8
133.10060	0.7
134.09647	1.2
135.08044	1.0
136.11205	1.7
137.05946	3.6
137.09586	0.9
138.09174	0.9
139.07558	1.2
140.10699	1.2
142.12303	1.1
145.05016	0.6
147.08084	2.3
147.11720	0.5
148.11266	0.8
149.09601	1.0
150.09100	1.5
151.03929	2.7
151.07571	1.1
152.10675	2.7
153.09081	0.7
155.07039	1.5
156.10260	1.0
157.45642	0.5
158.11722	1.0
162.09073	0.6
162.12717	1.3
164.10762	0.7
165.09091	2.7
166.12236	0.7
175.11160	1.8
176.10902	0.5
179.10574	0.6
180.13896	1.1
182.11740	1.9
183.10136	1.4
184.13318	3.3
193.12225	2.8
196.13353	0.6
198.14828	0.9
203.10703	1.0
211.13342	0.5
214.14340	1.1
221.11668	2.5
224.16328	0.8
239.12769	5.2
243.10168	17.4
243.12669	0.8
244.10452	1.7
250.18144	1.3
308.18472	0.9
316.19046	1.0
334.20135	7.7
335.20496	0.6
345.33243	0.6
390.22781	1.8
404.24426	0.8
408.23859	9.1
422.25571	32.2
423.26035	2.7
440.26843	100.0
441.27188	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	440.2775
Annotation	1-Dodecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.17788	0.2
53.96219	0.2
55.05508	0.5
56.05035	1.3
57.03425	0.7
57.07077	4.5
58.06575	1.1
59.07385	0.3
60.08166	16.6
67.05501	0.7
69.47385	0.5
69.47771	0.4
71.07378	6.0
71.08626	2.0
81.07052	0.8
83.08613	0.5
84.24599	0.3
85.10180	1.4
86.09708	46.8
87.10035	0.6
95.08595	1.8
98.23495	0.3
98.98471	3.1
100.79530	0.2
103.07623	0.2
104.10746	100.0
104.99239	0.2
105.11063	1.2
109.10152	1.0
110.10385	0.2
112.82752	0.2
123.11681	0.3
125.00008	24.3
143.01091	0.3
161.41335	0.2
163.01552	1.0
163.33809	0.3
181.02580	0.3
183.17453	0.4
184.07346	96.0
185.07700	1.4
257.21118	3.4
258.11044	1.0
279.98502	0.2
363.19440	0.5
422.26682	9.0
423.26920	0.5
440.27728	32.3
441.28027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
57.03443	4.4
57.07076	17.0
57.75079	1.2
58.06595	2.1
62.06088	22.2
62.17601	1.1
67.05513	4.6
69.07065	3.6
71.08641	13.7
74.40000	1.2
81.07069	5.5
83.08626	4.1
84.08147	1.2
85.10182	7.3
86.10448	1.3
95.08606	7.6
97.10201	1.7
98.98476	5.1
105.07039	6.2
109.10169	4.9
123.11687	1.5
124.01643	1.7
124.13944	1.2
131.12761	1.1
140.03423	2.3
155.01079	5.1
198.05287	1.9
216.06337	3.1
225.22173	2.2
268.26355	9.7
299.25815	100.0
300.26285	4.2
379.22540	5.9
396.21597	1.3
422.26639	5.2
440.37119	1.7
441.20554	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	440.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.03437	7.9
57.07081	17.4
67.05511	4.1
68.83018	0.6
69.07074	7.6
69.13529	1.7
69.13934	1.9
69.69125	0.5
71.08634	13.7
74.47562	0.5
81.07062	8.1
82.46050	0.5
83.08617	5.2
85.10188	7.0
89.06034	1.3
95.08611	10.5
95.09206	0.7
97.10164	2.1
98.97523	0.6
103.07576	0.7
109.10168	5.0
111.11701	1.6
114.43103	0.5
123.11713	1.6
124.01641	0.6
133.14539	0.6
148.78967	0.5
150.45798	0.6
199.65450	0.6
225.22160	0.8
231.79578	0.6
243.23212	1.9
268.26389	2.3
299.25809	100.0
300.26144	4.8
329.07645	0.8
358.20496	4.4
396.21411	1.0
440.20322	2.7
440.51480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97010	1.0
52.65830	0.8
56.96294	1.6
56.96566	18.2
56.96832	1.5
60.58843	0.9
70.45589	2.0
84.96032	7.1
89.13009	0.9
98.91938	2.2
98.97580	99.1
110.97571	35.6
112.89594	1.0
112.99159	1.4
116.98621	36.5
124.99168	3.5
127.00715	2.0
128.98610	28.9
131.00200	2.1
134.99649	7.7
140.98592	9.7
140.99438	1.0
143.00169	16.8
146.99631	11.0
149.55566	1.0
152.98589	4.8
153.00803	1.2
155.00189	1.2
158.99657	41.2
161.01204	11.4
170.99651	33.7
173.01225	2.1
177.00714	33.4
178.01132	1.6
180.97580	1.6
182.99663	20.6
183.01297	1.0
189.00717	28.3
194.99748	1.5
195.01851	2.3
201.00708	65.5
203.02483	2.0
207.01781	7.3
208.87643	1.0
213.00728	5.3
215.13133	1.0
219.01772	52.2
220.02142	1.3
228.98911	1.1
231.01857	8.0
237.02806	19.3
237.04889	1.4
240.40733	1.0
243.01804	24.0
247.04341	1.2
249.03065	1.5
261.02823	100.0
262.00473	1.0
262.03256	1.7
273.02762	9.7
279.03870	60.3
290.95743	1.1
291.03857	19.7
297.04999	2.2
299.04776	2.3
302.05566	1.6
302.44608	0.9
309.05219	1.7
317.05621	0.9
321.04926	47.1
327.04343	1.8
333.04874	6.4
345.05206	5.0
351.05997	8.7
365.10736	1.6
381.07013	5.5
399.00888	1.6
399.08310	3.4
440.22821	9.4
441.09320	31.2
441.22928	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65351	1.7
56.96560	15.1
67.52263	1.9
69.03446	2.0
70.03497	3.7
70.03831	2.0
70.06577	2.2
70.83770	1.6
84.08148	2.2
84.96040	7.0
98.91946	12.1
98.97582	100.0
110.97566	41.6
114.89347	2.4
116.98627	30.0
124.99096	2.3
127.00715	2.5
128.98616	24.1
132.96657	2.3
134.99664	3.2
140.98557	13.2
143.00116	13.9
146.99648	5.4
152.98601	5.5
158.99663	39.9
161.01227	8.9
170.99660	28.5
173.01195	2.2
177.00703	29.9
182.99634	17.5
184.99776	2.5
186.97623	2.0
189.00711	23.2
200.99165	7.8
201.00734	56.7
203.00795	11.7
207.01831	5.9
213.00798	3.3
219.00304	4.5
219.01866	42.6
220.98322	9.6
221.01796	10.6
228.98669	3.0
231.00111	3.8
231.02061	3.0
236.95641	30.3
237.02837	18.1
242.96507	4.8
243.01784	22.7
245.84586	1.9
246.99774	6.2
253.02388	8.4
255.03859	4.4
258.93823	8.7
261.02826	95.1
262.03033	3.0
270.38516	1.8
270.81165	2.2
271.03314	5.8
273.02856	8.2
274.99246	7.3
275.02615	2.0
279.03870	56.4
283.03412	3.2
289.04456	6.7
291.03882	17.1
293.00125	3.4
299.02914	4.2
301.04352	10.0
317.04037	3.4
319.05429	3.9
320.94437	2.5
321.04913	51.8
327.02499	2.8
333.04889	7.0
343.01843	7.5
351.06018	11.8
353.00500	2.3
365.10553	7.8
370.71185	1.9
371.01370	8.8
381.00055	2.9
381.07220	6.2
399.00845	38.1
399.06769	2.0
399.08377	2.2
400.01279	4.1
417.01819	22.0
422.21396	2.0
440.22546	21.2
440.95044	8.5
441.08829	36.7
441.22922	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	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.35656	0.8
68.28822	0.8
69.03444	2.1
69.25791	2.9
69.26199	1.3
70.06580	1.3
72.08160	2.0
73.06562	12.3
79.05506	0.9
81.03430	1.2
85.02908	7.0
86.09711	5.3
87.04455	1.6
93.07043	1.0
95.08617	1.3
97.02901	2.8
101.00884	1.4
101.56572	1.0
109.02871	1.1
115.03928	6.1
116.07114	3.0
117.33082	0.8
119.01916	1.1
119.08614	1.0
127.03937	3.8
133.04974	2.0
142.12364	1.3
143.01907	1.2
145.05000	1.9
149.11760	5.2
177.32350	0.8
185.16476	1.6
187.00946	1.3
189.09093	1.8
190.09380	1.7
193.11974	4.1
201.03754	1.0
213.16016	2.7
229.15585	2.4
243.04811	8.7
245.06223	4.2
271.04239	1.3
277.09210	1.4
287.03741	82.2
288.04037	2.1
289.05301	38.7
290.05582	1.0
326.24600	1.3
331.42862	0.9
349.11267	0.8
397.18314	8.5
409.24203	0.9
441.17337	100.0
442.17514	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	441.2065
Annotation	Arundin
Peak:m/z	Relative Intensity
50.86909	0.6
52.51525	0.6
53.03935	1.1
55.01876	0.7
55.05523	0.6
57.03422	1.1
65.03931	2.4
67.05527	0.8
73.77007	0.5
77.03930	0.6
79.05495	9.6
81.07057	1.7
83.01350	2.3
85.02908	1.0
87.42414	0.6
91.05483	60.9
92.05790	0.9
93.07047	0.9
95.04991	4.6
95.08627	0.8
103.05473	7.1
105.04513	1.8
105.07031	100.0
106.07382	2.4
107.04955	0.8
107.42136	0.6
109.06524	2.2
115.05463	1.5
117.07026	4.1
119.04932	1.1
121.06480	3.6
124.05238	0.9
124.93818	0.8
128.06206	1.7
129.07007	12.2
131.08600	4.0
133.06470	1.4
137.05978	60.6
138.06299	1.3
141.07013	4.1
142.07753	1.0
143.08575	1.9
145.06470	0.8
145.10112	0.7
149.06044	1.2
151.07524	6.5
152.06194	1.8
153.06953	1.1
155.08585	1.4
157.06506	1.9
157.10130	1.8
159.08078	1.9
165.07007	1.8
166.07785	2.7
167.08554	7.3
168.09354	0.8
169.06529	0.9
170.07323	0.8
175.07509	3.2
179.08540	0.8
181.06438	0.7
181.10162	1.8
185.09622	3.9
187.07571	1.1
188.08278	0.7
189.09096	1.3
191.06981	0.6
193.10109	0.7
195.08093	2.7
196.69022	0.6
199.07573	0.9
204.07806	0.7
209.09602	1.3
213.09151	6.1
217.08630	1.0
221.77254	0.7
225.09087	0.8
227.10716	1.9
228.07861	1.1
228.11462	3.9
229.12279	3.1
231.10307	0.9
239.10805	0.8
241.08604	5.3
241.12215	1.2
253.12207	1.1
259.09830	0.6
265.12244	1.0
277.12305	2.6
279.13889	1.5
281.11725	0.9
295.13351	0.8
303.14081	0.8
309.14636	1.4
319.13361	4.0
332.13998	1.4
337.14209	0.8
337.27283	0.9
349.14169	1.0
363.15927	0.9
372.99109	0.7
385.17886	0.9
395.20239	1.5
413.21265	1.8
423.19510	12.2
424.19916	0.8
441.20596	91.8
442.20905	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	441.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
55.01875	10.1
55.05503	11.1
57.03435	7.0
61.02915	10.2
62.90778	3.1
67.05509	16.1
68.99786	9.1
69.03442	37.3
69.07072	36.6
70.79424	4.8
71.04997	16.6
71.50566	2.9
73.02926	15.7
73.34066	3.2
79.05489	15.1
81.03426	47.0
81.07057	24.8
83.04975	6.7
83.08617	7.4
85.02911	82.9
85.82733	3.0
86.03223	5.5
87.00841	31.4
88.69201	3.1
91.05483	22.2
91.05970	4.0
93.07062	26.9
95.04971	35.8
95.08617	40.5
97.02887	38.2
97.06518	9.6
99.04463	20.2
99.08121	9.6
103.03948	10.5
103.05470	5.8
105.01873	23.5
105.07041	46.9
106.60686	2.7
107.08598	44.4
109.02882	30.9
109.06528	37.9
109.10182	26.4
111.04454	6.9
111.11660	6.6
115.03944	11.9
115.05457	4.0
117.01843	3.9
117.07026	9.2
119.08588	76.1
121.06496	8.5
121.10147	29.5
123.08062	8.2
123.11699	10.5
127.03924	59.6
128.04358	3.2
129.01837	7.6
129.06958	3.5
131.08592	24.6
133.04980	3.8
133.06529	6.0
133.10133	100.0
134.13292	3.1
135.08041	10.9
135.11710	54.2
137.05962	11.5
137.09627	7.9
141.06979	4.3
142.07785	5.4
143.08568	15.9
144.09334	4.6
145.04942	16.6
145.10158	21.7
147.02872	3.4
147.08029	9.7
147.11697	19.7
149.09637	11.2
149.13284	4.9
150.87259	3.3
151.07562	5.5
151.11185	5.9
153.12758	4.2
155.08566	9.9
156.09344	6.0
157.10100	18.9
158.10919	5.9
159.02856	13.3
159.08096	4.3
159.11726	25.8
161.09639	25.9
161.13268	17.5
163.06088	5.8
163.11232	5.2
165.09087	6.6
169.10120	3.5
170.10977	3.7
171.11716	20.2
173.09660	6.7
173.13278	38.4
175.11249	7.9
175.14828	89.9
176.15178	3.8
177.12709	6.1
177.16380	5.4
179.10681	12.0
182.10849	3.8
183.11737	16.5
185.09599	7.1
185.13258	10.2
187.14835	15.1
189.12672	4.6
189.16402	8.7
191.14368	15.6
193.15923	21.5
195.11671	4.0
197.13228	11.4
199.14737	16.8
201.03908	4.1
201.12805	5.8
203.14369	11.8
205.16002	5.3
211.14951	3.9
213.03984	7.2
215.14308	5.7
217.15881	32.3
223.60741	3.9
225.12761	13.0
227.10693	6.7
229.15869	9.9
231.05046	10.3
235.16908	32.4
241.15964	9.7
243.13760	4.6
247.16939	6.0
259.16895	10.7
277.17966	22.4
283.17023	21.8
301.17957	18.0
319.19000	4.0
383.16876	5.1
387.17996	5.3
397.18594	3.7
405.19193	15.8
423.20203	23.2
441.21692	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	441.2462
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
68.00296	0.6
69.07076	0.7
81.07090	0.8
85.49271	0.7
94.03912	0.7
101.66504	0.7
105.95453	0.6
114.31942	0.6
139.24449	0.7
203.05347	3.5
238.74887	0.7
261.18338	1.7
383.16925	0.8
397.21948	2.9
405.80774	0.9
423.23544	1.2
441.24762	100.0
442.19241	1.1
442.25061	6.6
468.49222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06572	1.3
80.14938	0.7
81.07047	0.6
84.08128	0.8
85.02886	0.7
86.09702	1.2
91.05460	0.9
97.02934	0.9
98.97576	0.8
105.07018	1.0
115.53851	0.7
120.08118	2.1
128.10759	1.3
145.05016	0.8
147.04417	4.7
149.55522	0.7
155.45802	0.6
162.09114	1.0
201.03714	5.9
203.03482	1.1
203.05272	9.0
203.07002	1.0
261.18265	2.9
263.19794	7.6
321.18082	1.9
331.06186	0.8
352.41989	0.6
397.21799	15.9
398.22165	0.8
410.19180	1.6
441.11353	3.1
441.25174	100.0
442.19733	0.8
442.25363	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	441.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07561	0.4
69.73119	1.7
84.04507	2.0
88.50137	0.4
89.15230	0.5
91.05453	0.6
95.08620	0.6
98.23352	0.8
105.07011	0.8
130.05022	1.1
156.68210	0.4
167.73471	0.4
168.05040	0.5
277.21582	0.6
297.33191	0.5
302.14352	0.5
315.10791	1.4
430.75214	0.6
441.28284	100.0
442.15115	0.7
442.28574	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	441.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05057	0.4
67.05513	0.3
69.37359	1.2
84.04487	2.4
98.23476	0.7
98.97586	0.6
101.07184	0.5
104.99313	0.5
127.95662	0.3
130.05014	1.0
174.70381	0.3
196.10927	0.3
269.13596	0.6
328.22772	0.4
365.19263	0.5
376.13110	0.3
397.21863	0.5
409.18076	5.9
441.28281	100.0
442.16357	0.4
442.28638	5.9
445.95123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13652	12.7
56.96562	34.2
57.07077	20.5
57.39611	13.0
60.24240	14.2
60.46103	14.0
67.62467	13.1
69.46934	26.6
69.47321	33.7
71.08666	20.5
79.90435	15.0
89.06033	34.3
98.23445	24.2
103.18330	13.5
121.06503	23.6
133.08603	30.6
153.88014	14.8
165.09132	24.6
226.76457	14.3
309.05920	15.7
349.24051	30.5
367.25153	100.0
385.26205	52.4
441.31052	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	441.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.96569	0.4
67.05498	0.8
69.07073	1.4
69.74042	1.8
71.08633	0.7
72.93267	0.5
79.05497	0.4
81.07058	1.5
90.91753	0.4
93.07018	0.4
95.08599	1.2
98.22700	0.5
104.99306	0.5
107.08614	0.7
108.25911	0.5
109.10161	0.7
121.10210	0.8
123.08049	1.5
135.08049	0.6
149.06013	0.7
179.14304	2.1
183.49193	0.4
290.89755	0.4
297.57858	0.4
303.26761	1.0
319.78186	0.5
331.26343	2.9
349.27359	3.4
359.12839	0.5
363.42374	0.4
410.15387	0.4
423.30988	3.7
424.31158	0.5
441.31873	100.0
442.32227	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	441.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
57.80717	0.2
67.05498	0.7
69.07066	0.5
69.51550	0.4
69.51942	0.4
70.00608	0.2
75.10742	0.2
78.98905	0.2
79.05480	0.3
81.07054	0.9
82.48411	0.2
83.08617	0.4
93.07036	0.3
95.08610	0.8
97.10162	0.2
100.32685	0.2
109.10165	0.4
121.10176	0.3
123.11681	0.3
135.11571	0.2
156.85313	0.2
212.23547	0.2
273.70282	0.2
441.31860	100.0
442.32257	6.7
442.38239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52137	0.7
55.07117	0.8
59.08281	0.6
59.45951	0.6
64.38619	0.6
87.04470	1.3
89.68882	0.8
91.77107	0.6
93.07029	0.6
160.43417	0.6
173.00670	0.7
233.17714	0.6
262.27576	0.7
359.98862	0.9
441.31882	100.0
442.32190	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	441.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.7
56.80743	1.9
57.03424	2.0
57.07079	5.4
67.05505	9.9
69.07071	16.2
70.07309	5.2
71.08636	9.2
77.08391	2.3
79.05499	5.5
81.07054	18.9
83.04979	2.6
83.08622	5.7
83.98216	1.8
91.05461	4.0
93.07028	9.5
95.08614	18.3
97.01443	1.9
97.06516	2.4
97.10178	3.2
99.08100	6.8
101.10365	1.9
105.07034	4.5
106.06596	2.0
107.08597	11.8
109.06506	8.9
109.10190	7.0
119.08607	7.5
121.06464	2.0
121.10166	7.0
123.08065	28.1
123.09032	3.1
123.11713	3.6
124.07616	3.0
125.05978	2.7
131.08562	3.1
133.10126	4.8
135.08087	7.7
135.11703	4.3
137.09584	3.1
145.10126	4.3
147.11723	3.7
149.09624	4.1
149.13283	3.9
153.12709	2.4
158.63783	2.0
161.87663	2.5
165.12817	2.9
177.12718	2.2
177.42398	1.8
179.14340	36.4
205.15955	2.4
233.19072	2.3
251.20091	6.1
269.13556	2.4
275.20050	4.4
293.21188	9.5
303.26804	8.9
313.25320	1.9
321.93417	2.3
331.26300	41.5
332.26678	2.3
349.27374	45.6
378.54218	2.1
405.29758	3.4
423.31042	100.0
423.35800	4.6
424.31372	6.5
441.20895	3.5
441.31583	4.7
441.37003	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	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01867	1.4
55.05512	1.4
56.77342	0.5
57.03442	3.1
57.07557	0.6
61.02930	5.4
67.05524	0.7
68.05027	1.0
69.03428	11.2
69.07072	0.6
70.06601	1.0
71.04987	3.3
73.02911	2.9
79.05470	0.6
80.04997	0.6
81.03419	5.4
81.07065	1.6
82.06579	0.6
83.08623	2.5
85.02903	60.4
87.04478	1.6
91.03928	2.8
91.05453	0.6
93.07047	1.3
95.04984	1.4
95.08614	0.7
97.02896	14.2
97.03483	0.9
99.04454	3.3
99.08125	0.7
100.07637	1.7
101.09674	1.0
109.02877	5.3
109.03468	0.6
109.06527	1.2
111.08094	1.4
113.06084	0.6
113.09644	0.9
115.03940	2.0
115.07521	0.7
120.08104	1.1
123.08080	0.8
124.11225	1.1
127.03915	15.4
131.10640	1.0
133.04932	0.6
136.07608	1.2
137.05988	0.8
138.09164	1.0
139.07573	1.3
141.09123	1.0
142.12279	6.6
145.04955	28.6
148.07588	1.1
156.13896	1.8
163.06030	13.3
166.08612	1.3
182.08124	14.8
182.09637	0.8
184.09734	0.7
184.13341	1.3
186.11235	0.6
196.34004	0.6
209.11763	1.3
227.12881	1.5
245.13896	2.1
263.14917	1.9
280.11792	5.1
325.11273	0.9
344.13580	1.3
370.20239	0.8
415.58722	0.6
424.17780	1.0
424.23181	6.4
442.18344	100.0
442.24289	10.1
443.18774	8.0
443.24451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.52921	0.7
55.01862	1.7
55.05508	2.6
57.03438	4.0
61.02927	9.7
67.05507	1.4
68.25245	0.8
69.03437	16.5
70.94331	1.2
71.05003	5.8
73.02913	3.5
73.06559	0.7
74.39353	0.7
79.05492	0.9
81.03411	6.9
81.07056	1.7
83.08617	4.6
85.02906	100.0
86.03220	1.1
87.04493	1.9
91.03958	5.5
93.07068	1.1
95.04989	0.9
97.02895	21.9
98.19283	0.7
99.04468	5.3
101.09649	0.8
103.03934	0.9
109.02882	8.5
111.08070	1.6
115.03944	1.6
122.09727	1.0
123.08093	1.4
125.09560	1.0
127.03911	25.2
129.09116	1.3
139.07509	2.0
141.09102	1.4
142.12277	2.8
145.04964	51.1
151.07512	1.4
152.88034	0.7
163.03851	1.0
163.06015	24.5
169.08647	1.2
187.09546	0.7
209.11732	1.8
227.12726	1.9
245.13860	3.0
263.14835	2.9
280.19012	1.0
325.11276	1.3
424.23196	2.8
442.16602	9.5
442.24170	6.6
443.16983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05512	0.6
56.05015	0.5
56.36069	0.5
66.55451	0.4
67.05495	1.1
69.03432	3.2
70.05843	1.0
70.06594	3.1
71.05009	0.5
76.05992	0.5
78.58849	0.5
79.05493	1.0
80.04977	0.7
82.06599	0.6
83.15804	0.5
84.08142	8.2
85.02919	0.7
87.04488	0.5
90.63058	0.4
91.05485	3.5
91.48679	0.5
92.05827	0.7
93.07042	0.6
94.06574	0.9
95.04965	1.8
95.08601	1.3
96.08129	0.8
99.04436	0.7
105.03381	1.6
106.03714	0.5
107.08653	0.6
108.08138	0.7
109.06542	1.4
110.09725	0.6
110.26498	0.4
111.04510	0.5
111.08071	0.9
113.05966	2.4
122.09692	2.0
123.04395	0.5
125.06007	0.9
125.09681	0.7
127.07563	1.1
134.09669	2.3
135.08107	0.5
136.11211	6.0
137.06012	0.6
139.07558	1.5
146.02640	0.5
146.09660	0.7
148.11221	0.7
150.09169	2.2
152.10707	1.7
154.12227	0.6
162.12794	1.3
162.33902	0.5
164.10770	0.7
168.10219	1.3
170.11845	0.6
176.14366	1.3
180.10155	0.6
180.13852	1.0
182.11758	3.5
190.12282	0.6
192.13832	1.1
195.10963	0.4
198.11340	0.8
200.12828	3.9
204.13927	0.6
218.15376	0.6
220.13319	7.2
222.14857	1.0
234.14885	0.8
236.16440	2.0
243.10210	1.6
244.10661	1.2
245.10797	1.8
248.16440	2.8
250.14291	0.7
252.15982	3.1
254.17496	2.8
266.17468	3.1
268.15494	1.2
276.15897	4.5
277.16211	0.5
278.17526	0.8
294.16995	17.5
295.17273	1.1
296.18631	1.0
312.18082	2.2
314.19623	1.5
320.18573	1.0
334.20151	3.2
338.81921	0.7
352.21164	11.6
352.25412	0.7
353.21719	0.8
378.22629	1.8
380.20667	5.1
396.23865	1.9
398.21707	38.6
399.22168	2.4
406.22470	1.2
424.23300	7.9
425.23538	1.0
442.24417	100.0
443.24744	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	442.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85511	0.4
55.01866	0.5
56.05040	0.8
60.03098	0.4
67.05509	0.4
68.05025	0.8
69.03421	1.8
70.06595	2.2
70.96546	0.6
71.04991	1.2
79.05505	0.8
80.05002	1.5
81.07061	1.0
82.06567	0.5
83.04968	0.5
84.08135	2.0
87.04457	0.7
90.39653	0.5
91.05476	1.7
93.07036	0.4
94.06560	1.4
95.04960	1.5
95.08597	0.6
96.08119	1.0
99.04449	0.9
105.07027	0.8
108.08118	1.0
109.06516	7.5
110.09676	0.7
111.04417	0.4
111.08083	0.8
113.06004	1.1
115.03927	0.7
121.06514	0.6
122.09669	2.6
123.08090	0.7
124.07616	0.7
124.11233	0.6
125.06001	1.1
125.09633	0.7
127.07521	0.4
133.35414	0.4
134.09676	1.0
136.11205	5.0
138.09166	0.6
139.07570	0.6
150.09164	3.3
152.10678	1.3
162.12781	1.1
164.10742	0.9
168.10220	1.8
169.13380	0.5
176.14362	0.7
180.10208	1.3
180.13943	0.5
182.11746	3.0
192.13910	0.9
198.11258	2.4
200.12759	4.5
204.13916	0.5
206.15269	0.5
220.13431	1.4
222.14972	0.8
236.16559	1.5
245.11057	0.6
248.16489	2.1
252.15929	0.6
254.17619	0.9
266.17560	3.0
268.15598	0.7
276.15979	3.7
278.64047	0.5
280.19122	2.0
292.19043	0.7
294.16998	14.9
295.17221	0.8
296.18497	0.8
308.18558	0.6
312.18069	5.1
320.18372	0.7
334.20078	2.0
338.19623	1.0
352.21240	8.9
353.21561	0.7
360.21783	0.6
378.22739	1.5
380.20648	3.2
396.23856	1.4
398.21725	21.4
399.22095	1.3
406.22275	1.3
424.23279	7.5
425.23767	0.6
442.24359	100.0
443.24704	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	442.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92414	0.5
52.53947	0.5
55.05506	0.6
56.05033	1.0
57.03415	0.4
58.06609	0.6
67.05520	1.3
68.05011	0.7
69.03415	2.5
69.11516	1.8
69.11942	1.7
70.06584	4.7
71.04989	3.2
72.08162	0.6
74.61476	0.6
76.72672	0.5
77.14590	0.4
78.12279	0.5
79.05509	1.6
80.05013	7.8
81.07066	3.8
82.06585	0.5
84.08143	1.2
86.09720	0.7
87.04453	0.6
91.05491	1.2
93.07042	1.5
94.06573	1.5
95.04958	6.1
95.08594	1.4
96.08125	1.7
97.06536	1.0
98.06042	1.3
99.04462	2.2
99.38362	0.5
100.07637	0.9
105.07034	1.2
107.08574	1.2
109.06523	4.3
111.04440	0.7
111.08085	3.0
113.06017	1.4
113.09651	1.0
115.03968	1.1
119.08594	0.7
120.08125	1.8
121.06490	1.0
122.09670	1.3
123.04432	1.3
123.08079	2.0
124.11167	0.6
129.06854	0.5
131.08582	0.6
134.09680	1.3
136.11197	0.9
137.05981	5.0
138.09152	6.7
139.07581	0.7
140.10728	1.6
141.05461	0.8
145.10114	0.5
146.09569	0.6
148.07578	0.8
148.11270	0.6
150.09175	1.2
152.10724	1.1
154.12285	2.3
156.10162	2.4
162.12830	1.0
166.08669	1.1
166.12292	0.5
168.10202	1.0
169.13344	0.8
175.07669	0.6
176.93909	0.5
180.13832	1.4
182.11778	1.6
184.09700	5.9
184.13344	0.6
186.11293	2.2
189.12785	1.7
191.10718	0.6
195.02177	0.5
197.30890	0.5
198.11331	0.8
200.12918	1.4
202.10776	1.8
217.16035	0.9
220.13283	0.8
221.88745	0.6
229.60014	0.5
236.16403	2.8
238.14339	0.8
240.16101	0.5
254.17580	3.1
262.17984	1.7
280.19083	13.9
290.17874	0.5
294.17041	1.3
299.88596	0.6
308.18564	3.2
312.18127	1.1
326.19626	2.4
338.19632	2.3
350.19693	0.6
360.21649	1.6
378.22757	5.7
388.21017	0.5
392.13138	0.6
396.23776	3.3
406.22128	3.0
424.23318	23.3
425.23727	1.5
442.24362	100.0
443.24673	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	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59888	0.6
53.03942	0.9
55.01870	6.1
57.03180	1.3
57.03439	17.1
59.04998	2.0
61.02932	14.1
67.05492	1.2
69.03434	31.5
71.01360	2.8
71.04999	1.8
71.08636	2.5
71.75986	0.7
73.02920	63.0
73.61240	0.8
76.32500	0.7
81.03430	7.6
81.07056	1.3
85.02908	100.0
86.03260	1.5
87.04469	4.3
91.03950	4.5
91.05486	0.7
95.08590	1.2
97.02896	49.5
98.92374	0.8
99.04440	4.8
103.03948	3.5
105.01882	1.8
107.08618	1.0
109.02880	8.5
111.04450	0.8
115.03931	25.0
115.04711	1.5
127.03921	30.2
133.04971	28.7
134.05267	0.9
137.09665	1.4
138.09947	0.9
145.04967	52.2
150.07614	1.7
151.07558	2.0
157.04956	0.8
163.04668	1.1
163.06026	21.5
178.43011	0.9
199.06110	1.2
203.19408	0.8
216.69339	0.7
217.07066	1.3
223.06026	5.7
227.16479	1.6
231.05150	1.1
241.07095	7.0
252.02496	0.7
259.08121	7.5
277.09192	1.9
293.19666	2.5
295.10327	1.1
442.24774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.3
55.05525	4.7
57.03434	21.6
57.07059	2.1
59.04995	3.2
59.94515	2.6
61.02925	5.7
67.05504	6.9
69.03430	75.8
69.07076	4.9
69.28750	4.4
69.29156	7.9
71.00933	1.9
71.04997	2.8
71.08640	5.6
73.02919	6.0
77.43775	2.0
79.05477	2.8
81.03424	8.7
81.07063	6.2
82.06577	2.4
83.05005	3.0
83.08617	2.2
85.02906	100.0
85.06544	3.5
86.06107	4.2
86.68684	2.2
87.04466	49.2
88.11279	3.9
91.03944	3.6
91.05497	3.8
93.07026	5.1
95.04920	3.4
95.08615	5.8
97.02895	69.1
97.06573	2.5
99.04472	5.5
100.07602	2.4
100.11261	10.2
105.07055	5.0
108.56657	2.3
109.02885	9.0
109.10155	6.9
111.04436	4.6
111.95296	2.0
115.03934	79.0
119.08674	2.7
121.10123	2.4
123.11756	2.9
127.03925	22.2
128.07079	4.0
133.04964	87.1
133.10094	2.9
137.09645	5.8
138.10023	2.3
145.04970	39.3
145.06120	3.5
149.09599	2.9
150.07657	11.2
151.07510	3.6
151.11221	2.4
163.05983	15.3
165.07677	3.7
165.09108	61.4
165.12776	4.4
166.09433	27.4
170.15388	14.5
177.09137	6.0
178.09508	3.6
178.53596	2.0
182.15411	8.7
185.30113	2.1
198.14894	13.0
201.09131	4.2
205.12241	6.0
210.14931	7.6
228.15929	4.5
241.07149	3.4
245.18727	3.8
259.05624	2.6
259.08121	4.1
293.19391	2.5
303.19482	3.1
304.19934	5.7
337.21350	4.1
355.22037	2.9
398.18384	3.5
399.20050	4.1
424.22815	3.4
424.31659	8.3
442.17538	14.1
442.25168	8.0
442.33313	17.1
443.18729	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44775	0.2
51.68794	0.2
55.01869	0.5
55.05505	1.3
56.05030	0.3
58.06592	0.3
59.05008	0.6
60.80451	0.2
65.52433	0.2
67.05502	1.5
68.05012	0.3
69.03429	16.6
69.34583	1.3
70.06590	4.8
71.04993	3.6
72.08164	1.0
73.02921	0.3
79.05501	1.2
80.05025	0.8
81.07048	2.0
82.06579	0.4
83.04988	0.9
83.08623	0.3
84.08141	2.1
85.02915	1.1
85.06547	0.7
86.06056	0.4
86.09710	0.9
87.04470	1.0
91.05489	0.9
93.07044	2.2
94.06557	0.4
95.05011	0.6
95.08595	2.0
96.08127	1.2
97.02927	0.3
97.06538	0.7
97.10156	0.3
98.22713	0.5
99.04456	3.8
105.07030	1.5
107.08597	1.6
108.08134	0.4
109.08913	0.3
109.10138	1.8
110.09691	1.1
111.08078	20.8
112.08403	0.3
113.05956	0.2
115.03925	1.3
115.15822	0.3
116.07057	0.3
117.07075	0.3
119.08579	1.0
120.08119	1.1
121.10186	0.5
122.09680	1.1
123.08065	2.3
124.11269	0.8
125.06009	0.5
125.09647	1.7
127.03918	0.6
130.06561	0.3
131.08614	0.4
131.10696	1.0
133.10144	0.8
134.09665	0.5
135.08063	1.1
135.11795	0.3
136.11226	0.8
137.06038	0.5
137.09633	0.8
138.09177	0.5
139.07536	14.8
140.07858	0.4
142.12209	0.4
145.04962	0.3
145.10117	0.3
146.06024	0.5
147.07971	0.3
148.11269	0.3
149.09677	1.1
150.09148	1.1
152.10741	1.0
153.09113	0.9
155.08200	0.3
159.11723	0.6
160.11223	0.3
162.12836	0.5
162.53372	0.2
164.10684	0.4
165.09097	0.3
166.12282	0.3
167.10666	0.7
168.10223	0.5
170.11758	0.4
175.11130	0.3
177.12743	1.7
177.59900	0.3
182.11786	0.7
183.10086	0.3
184.09734	0.3
184.13383	1.1
191.03384	0.3
195.13803	8.8
195.15594	0.5
196.13643	0.3
198.14848	1.6
202.12355	0.4
205.12247	2.3
210.14876	0.6
223.13297	2.6
224.16528	0.3
229.15512	0.5
234.14879	0.4
236.16495	0.4
241.14424	0.7
243.07095	0.2
258.04837	0.5
276.05811	0.4
278.21408	0.4
288.05890	0.5
294.20688	0.8
308.22284	1.0
310.20160	0.7
336.21747	1.8
374.23380	0.4
392.24203	1.3
406.25821	0.9
410.25330	5.5
424.11166	1.1
424.26984	19.4
425.27457	1.5
442.28033	100.0
443.28400	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	442.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24010	0.4
55.01846	0.5
55.05510	0.8
56.05038	0.5
67.05508	1.4
69.03429	17.2
69.03808	1.0
69.82972	0.9
70.06603	2.9
71.04999	3.1
79.05504	0.8
81.07055	1.9
83.04977	1.3
84.08147	2.0
85.06536	1.3
87.04475	0.6
88.39194	0.4
91.05489	1.1
93.07037	1.4
94.06569	0.5
95.08601	2.3
96.08165	0.6
99.04474	3.1
102.69121	0.4
105.07027	1.0
107.08588	1.0
109.10141	1.2
109.84348	0.4
110.09680	1.5
111.08077	20.4
117.06988	0.5
119.08595	1.2
122.09678	0.5
123.08055	2.5
124.11211	0.6
125.09660	2.2
126.04594	0.4
134.09602	0.5
135.08057	0.6
136.11279	0.5
137.09579	1.1
138.09145	0.5
139.06444	0.8
139.07533	15.4
140.07820	0.7
142.58330	0.4
149.09636	0.9
153.09157	0.8
160.11197	0.6
167.10686	0.6
177.12726	2.2
195.13814	7.8
198.14952	2.2
205.12151	2.2
210.14909	0.5
223.13272	2.9
225.50043	0.5
241.14345	1.2
248.16350	0.6
289.42972	0.4
308.22183	1.5
310.20142	0.5
318.20801	0.6
336.21732	2.7
406.25711	0.7
410.25308	6.4
424.26965	18.9
425.27478	1.3
442.27994	100.0
443.28265	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	442.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05507	1.4
56.05024	0.7
59.04998	0.8
67.05508	1.7
68.05014	0.5
69.03426	8.3
70.06593	3.5
71.05012	1.8
71.61357	0.4
79.05504	0.9
80.05032	1.8
81.07073	1.7
82.06593	0.6
83.04980	0.6
83.08629	0.4
84.08144	2.3
85.06543	0.6
86.06068	0.5
87.04491	0.6
87.33129	0.4
91.05473	0.8
93.07041	2.2
94.06572	1.6
95.05030	0.5
95.08603	3.7
96.08114	1.9
97.06538	1.0
99.04468	1.9
105.07042	1.5
106.96896	0.3
107.04963	0.4
107.08614	1.4
108.08113	1.9
109.06528	0.6
109.10144	0.8
110.09678	0.9
111.08083	9.8
115.03931	0.4
117.06991	0.6
119.08603	1.2
120.08102	0.9
120.20179	0.4
121.10094	0.6
122.09664	1.9
123.08086	1.2
124.03099	0.4
124.07599	0.7
124.11246	0.5
125.05973	3.2
125.09638	1.2
131.08560	0.7
132.08154	0.5
133.10149	1.2
134.09659	3.2
135.08122	0.7
136.11261	1.1
137.09605	0.7
138.09215	0.4
139.07542	2.2
141.09174	0.6
145.10164	0.8
146.09639	0.6
148.11195	0.8
149.09689	0.5
150.09126	2.1
150.12840	0.5
152.10704	2.5
154.12257	0.5
159.11725	0.6
160.11223	0.5
162.09161	0.4
162.12828	0.8
164.10774	1.0
168.10272	0.7
178.12312	1.1
180.10263	0.6
182.11787	3.0
184.13399	1.2
185.13370	0.4
195.13846	1.0
196.13309	2.0
198.14980	1.1
199.56001	0.4
207.13870	0.9
210.28999	0.4
214.14400	4.4
223.13412	0.4
236.16437	0.5
252.16229	0.5
276.19650	0.4
294.20654	1.0
310.20346	0.5
318.20667	1.5
336.21631	5.3
392.24301	1.7
396.23703	0.4
406.25970	1.2
410.25427	3.1
424.26962	24.0
425.27417	0.9
442.28012	100.0
443.28348	6.1
458.85873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87872	0.1
55.01876	0.3
55.05516	1.1
58.06583	0.3
59.04983	0.2
67.05521	1.2
68.05029	0.2
69.03431	16.7
69.07072	0.4
70.03779	0.2
70.06596	3.4
71.04991	3.3
75.80045	0.1
79.05481	1.2
80.05015	0.3
81.03405	0.2
81.07063	1.5
82.06587	0.3
83.04986	1.3
83.08628	0.4
84.08140	1.8
85.06535	0.8
86.06063	0.2
86.09696	0.2
87.04471	0.5
91.05478	0.8
93.07041	2.0
94.06566	0.4
95.04964	0.6
95.08610	2.1
96.08139	1.0
97.06528	0.7
99.04457	2.9
105.07035	1.0
107.08609	1.3
108.08108	0.3
109.06488	0.4
109.08900	0.2
109.10148	1.7
110.09676	1.6
111.08082	21.6
112.08373	0.3
117.05429	0.2
117.07016	0.2
119.08595	0.9
120.08071	0.4
121.06512	0.3
121.10165	0.7
122.09668	0.8
123.08072	2.1
124.07608	0.3
124.11235	0.7
125.06007	0.3
125.09629	2.0
131.08559	0.5
132.08076	0.2
133.10126	0.4
134.09648	0.5
135.08081	0.7
135.11653	0.3
136.11206	0.6
137.09595	0.9
138.12820	0.3
139.07541	13.8
140.07883	0.2
145.10149	0.5
146.09702	0.2
147.08032	0.2
147.11627	0.2
148.11250	0.2
149.09618	0.9
150.09157	0.6
150.12804	0.2
151.11165	0.2
152.10703	0.8
153.09145	0.6
155.24915	0.2
157.10168	0.2
159.11697	0.6
160.11205	0.2
162.12802	0.3
164.10698	0.2
167.10683	0.5
168.10165	0.4
174.12712	0.2
175.11205	0.2
177.12762	1.6
182.11761	0.6
183.10033	0.2
184.13315	0.7
187.11156	0.2
188.14449	0.4
194.15549	0.2
195.13808	7.7
196.14105	0.2
198.14890	1.9
198.16629	0.2
202.12280	0.3
204.01221	0.3
205.12244	2.2
210.14847	0.9
220.16953	0.4
221.11781	0.3
222.14867	0.2
223.13307	2.8
223.15291	0.3
224.16475	0.4
241.14258	1.0
250.18228	0.3
267.40756	0.2
269.89914	0.2
273.13324	0.1
278.21210	0.3
294.20587	0.4
295.68286	0.2
308.22116	1.4
310.19983	0.8
318.20633	0.2
336.21609	2.5
374.23471	0.3
392.24237	0.4
406.25784	0.9
410.25360	6.7
411.26041	0.5
424.26965	17.9
425.27145	1.3
442.28024	100.0
443.28372	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	443.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67990	1.4
51.11403	1.3
51.34460	1.2
56.96562	5.8
70.03024	3.4
84.79076	1.7
97.02894	2.2
98.97586	55.8
104.35307	1.3
116.98621	25.6
134.99666	7.4
174.97690	3.4
177.01027	1.6
189.06038	1.4
192.98779	2.5
216.95496	2.1
216.98822	4.6
219.02042	4.3
221.01888	1.4
232.96748	3.2
234.96565	4.6
234.99944	7.7
237.56264	1.3
240.98894	13.9
241.99106	2.1
242.98564	1.7
243.01904	1.7
250.97778	2.2
252.97639	2.1
254.93275	2.6
256.96735	6.1
257.96744	2.0
258.96649	7.7
258.99872	68.8
260.00018	15.6
260.99792	3.7
261.03088	6.2
262.03189	3.6
263.02762	6.4
264.03220	2.1
264.98950	2.8
272.94452	2.4
274.97687	11.6
275.98041	4.5
276.97589	14.1
277.00912	54.8
277.03949	2.9
277.97800	2.2
278.01016	14.3
279.00797	3.0
283.00003	99.7
284.00070	13.1
284.99948	4.9
292.98743	1.7
294.98364	1.9
298.97827	9.3
299.09723	4.3
299.98071	3.7
300.10004	2.7
300.97562	19.1
301.00977	100.0
301.09787	4.7
301.97861	1.9
302.01193	13.2
303.00958	7.7
316.95474	3.0
316.98822	17.7
317.98917	7.2
318.98645	20.8
319.02148	4.1
319.98724	1.9
354.93344	1.6
357.96823	5.0
358.96225	3.3
364.99054	2.1
376.97818	2.4
382.99973	6.2
384.00162	2.3
396.94601	8.9
401.01343	14.4
402.01559	7.0
406.99976	8.3
414.95496	5.9
418.97894	7.5
419.91516	2.6
419.97324	3.7
420.90878	1.5
425.01321	44.4
426.01324	7.8
443.02795	91.6
444.02609	20.3
451.77887	1.8
460.99722	26.9
461.99438	1.8
466.03619	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.3
69.03430	2.3
69.07069	0.4
69.35739	0.6
69.36128	0.8
70.06580	1.2
71.04980	0.6
73.35164	0.3
73.96646	0.3
79.05480	0.6
80.05006	0.7
81.03401	1.1
81.07052	0.5
85.02905	1.4
86.06055	0.5
86.09728	0.5
87.04427	0.3
95.04963	1.0
95.08591	0.4
97.02866	0.9
98.06045	0.3
99.04474	0.5
100.07629	0.8
105.07034	0.7
107.08579	0.3
109.06513	0.9
111.08094	1.2
111.94462	0.3
113.06030	0.3
115.03924	0.8
122.09730	0.3
124.11273	0.4
127.03908	0.9
131.08594	0.3
136.11098	0.4
137.05986	0.4
138.09132	0.4
140.10756	0.3
142.12254	1.2
143.12570	0.4
145.04956	0.5
149.05821	0.3
150.09181	0.6
156.13890	0.7
156.22000	0.3
167.03172	3.5
167.07082	1.2
168.10168	0.9
184.13342	0.5
263.16318	0.3
280.19171	0.4
299.07349	0.9
307.13519	0.3
311.07352	0.7
329.08438	20.5
330.08893	1.1
407.22308	0.5
424.23267	2.4
425.23587	4.3
426.24835	0.5
442.24146	2.9
443.11615	100.0
443.24301	6.4
444.11838	5.2
444.26013	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02880	0.2
69.44806	1.1
81.07058	0.4
85.02917	0.4
93.07033	0.2
95.08605	0.3
96.38329	0.3
97.02892	0.3
100.31351	0.2
107.08656	0.3
126.99986	0.3
127.03883	0.3
165.09106	0.6
185.04245	0.5
195.13559	2.3
223.13081	1.1
227.05226	0.5
258.22211	0.2
271.04333	0.3
339.17636	0.4
357.18851	8.8
358.19168	0.4
381.18811	0.7
399.19885	28.6
400.20370	1.4
443.18881	100.0
444.19278	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	443.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03943	5.0
55.01880	3.3
55.05508	9.3
57.03436	3.7
57.07086	2.3
61.02930	3.9
65.03932	0.7
67.05505	6.6
68.68752	0.4
68.99793	2.7
69.03432	24.3
69.06702	1.0
69.07068	14.8
71.04996	5.9
71.08664	0.5
73.02920	2.2
77.03928	0.8
78.87392	0.4
79.05490	8.0
81.03418	21.5
81.07059	16.9
82.03754	0.5
83.04951	1.1
83.08619	9.6
85.02905	34.5
85.06557	1.7
86.03223	0.7
87.00829	18.0
87.04487	0.9
91.05479	7.0
93.07043	20.9
94.07386	0.5
95.04964	4.2
95.08608	47.5
96.08949	1.6
97.02893	15.7
97.06529	1.1
97.10181	4.3
99.04458	9.4
99.08090	7.9
101.09677	0.5
103.03951	0.7
103.05450	0.6
105.01864	12.7
105.07029	10.9
106.39935	0.4
107.04978	0.9
107.08593	41.1
108.08926	1.6
109.02879	17.8
109.03629	0.8
109.06519	2.7
109.10150	11.6
111.04433	1.7
111.08094	2.5
111.11712	1.5
113.09631	2.1
115.03897	2.1
116.15893	0.4
117.01835	0.8
117.07028	1.4
119.06072	0.9
119.08585	10.3
121.06524	1.1
121.10146	65.4
122.10494	1.9
123.04420	1.2
123.08084	1.8
123.11719	10.2
125.09641	3.2
127.03915	44.2
128.04248	1.0
129.01839	2.7
129.05481	0.8
131.08588	2.6
133.06494	3.9
133.07533	1.0
133.10130	9.7
135.08018	1.3
135.11693	21.5
136.12051	0.7
137.06006	0.7
137.09628	0.5
137.13239	6.2
139.11168	1.3
141.05521	0.6
142.07767	0.6
143.08600	0.9
145.04962	8.9
145.06155	0.8
145.10133	3.4
147.02905	2.2
147.08075	1.0
147.11678	5.6
149.09583	1.0
149.13271	6.6
151.07516	0.8
151.14816	1.0
155.08447	0.5
156.09311	0.8
157.10135	2.6
159.02904	3.2
159.07991	0.7
159.11687	3.5
161.09634	1.4
161.13249	2.5
163.11191	1.2
163.14827	1.7
164.33069	0.4
165.09143	0.5
167.10629	0.5
167.81253	0.4
169.10146	1.1
171.02831	0.7
171.11729	1.6
172.12408	0.5
173.09650	1.0
173.13255	2.7
175.11235	0.7
175.14822	10.1
176.15166	0.6
177.16380	100.0
178.16722	6.0
179.08565	0.6
181.08578	0.7
181.10106	0.7
183.11661	1.4
185.09578	0.6
185.13232	1.3
187.11156	0.7
187.14833	5.6
188.15222	0.5
189.03874	0.6
189.12709	0.9
189.16393	3.4
193.15860	1.4
195.17451	9.3
197.13275	1.0
199.14778	1.8
201.03987	0.7
201.16353	1.9
203.14259	0.5
205.15840	1.4
207.17470	0.8
209.13271	2.6
211.11166	0.8
211.14951	0.5
213.03937	4.1
213.16345	1.5
213.18478	1.6
215.05557	0.8
215.14270	0.6
217.15903	1.4
219.05078	0.7
219.17401	2.7
225.16371	0.9
227.14322	1.8
231.04988	11.6
231.17381	1.9
237.18393	0.5
239.17920	0.5
241.15823	0.5
243.17409	1.6
245.15349	0.7
249.06030	1.4
261.18497	1.1
267.17444	2.0
273.18610	0.5
279.19449	0.6
285.18488	4.7
303.19528	3.0
367.17722	0.5
371.18481	0.5
389.19611	3.2
407.20718	4.9
408.20639	0.8
425.21829	2.6
443.23026	1.0
444.19592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72893	3.3
71.46162	4.3
81.72280	3.3
88.33849	3.4
99.34554	3.7
138.12830	5.9
144.67874	3.8
165.09102	4.5
187.07646	4.8
200.08392	4.9
218.07281	4.3
229.08575	11.4
233.92464	3.6
240.15855	4.3
247.07573	9.3
248.08333	4.6
262.09543	4.2
263.10587	4.1
290.09482	5.0
291.10052	12.4
293.08115	4.6
295.22870	4.5
307.09592	7.3
308.10342	7.9
315.08771	4.7
319.09714	7.0
321.07581	4.3
323.12732	9.2
337.10706	5.8
351.12280	15.7
353.10287	8.6
368.12540	13.8
383.14883	97.9
384.15228	5.1
443.17413	5.2
443.23926	100.0
444.17419	15.5
444.24649	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	443.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06716	0.5
55.05509	1.7
56.96571	0.6
60.44989	0.4
69.03434	0.5
70.06593	100.0
70.83807	0.6
71.04981	0.4
71.06936	1.3
72.08157	26.0
78.65383	0.5
84.04507	1.4
84.08149	1.1
85.02914	0.8
86.09687	0.8
100.07594	1.0
101.24883	0.4
102.05555	0.5
110.07150	0.5
111.08058	0.5
115.03908	0.5
130.04959	0.8
134.29411	0.4
135.48717	0.5
138.79520	0.5
145.05022	0.6
148.06039	5.7
169.13365	39.0
170.13718	0.7
171.14952	3.1
182.11856	0.4
194.02745	0.8
197.12856	29.4
198.13124	0.7
199.14461	1.7
224.13625	0.4
247.12897	18.5
248.13112	0.8
281.06198	0.5
296.19699	11.0
297.20120	0.6
314.09094	0.9
332.10251	0.9
346.19742	1.4
358.08154	1.1
376.09253	1.4
381.48517	0.5
419.10025	0.9
425.23822	1.2
426.24628	0.5
443.09897	1.2
443.19492	1.0
443.24942	25.9
444.25357	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	444.1657
Annotation	Fumiquinazoline C
Peak:m/z	Relative Intensity
53.03956	0.6
55.01875	5.0
55.05507	0.5
63.58463	0.4
65.42969	0.4
66.84252	0.3
67.05502	0.7
67.49066	0.4
68.05078	0.4
69.03429	2.7
69.36362	1.4
70.22549	0.4
71.04996	1.3
73.02923	0.5
76.72053	0.5
79.05501	0.9
80.05014	1.4
81.03410	1.4
81.93683	0.3
82.06582	0.8
83.01344	1.6
83.04959	0.6
84.08140	0.9
84.17020	0.3
85.02903	5.6
87.00858	2.1
91.05482	1.0
93.07027	0.6
93.69396	0.4
94.06568	1.3
95.04964	0.5
96.08148	1.2
97.02882	1.4
97.06516	0.7
98.06042	0.8
98.23502	0.7
99.04468	2.9
100.07660	0.4
105.01878	3.1
105.07014	1.8
107.08625	0.6
108.05810	0.4
108.08131	0.7
109.02869	1.7
109.06470	0.6
112.07588	1.2
115.05456	0.4
117.07005	0.5
118.06617	0.4
119.08596	1.2
120.08086	0.8
121.06520	0.6
121.10147	0.4
123.08106	0.7
124.07597	0.5
125.06004	1.7
127.03917	6.0
128.07098	0.8
129.06989	0.4
130.06487	0.8
132.08110	0.7
133.10118	0.9
136.05188	0.9
136.07632	0.7
140.07074	4.2
144.08080	1.5
145.04997	1.6
145.06432	0.5
146.06018	0.7
148.07620	0.8
151.07553	0.6
154.06429	0.6
156.08104	0.6
158.06012	0.5
158.09651	0.7
159.02916	0.8
159.08086	0.8
160.07578	0.8
161.13284	3.1
162.06790	0.6
162.09128	0.6
165.09106	0.6
167.03419	0.7
167.07297	0.5
168.08047	0.6
170.09625	0.9
172.07607	1.6
173.05969	0.4
174.09146	0.4
176.07031	0.9
177.05569	0.4
177.09120	0.6
178.08728	0.4
179.07051	2.2
182.09637	0.6
186.09187	1.3
188.07080	0.6
188.10739	0.9
190.08649	0.8
194.09639	0.5
196.07573	0.8
196.11220	0.5
198.09122	0.9
200.07088	1.3
200.10733	1.1
200.18727	0.4
201.05563	0.5
202.08540	0.5
205.08611	1.0
207.06552	0.9
210.09210	0.5
211.07640	0.4
211.10033	0.4
212.07178	0.7
212.10733	1.2
213.07939	0.4
214.08617	1.3
214.12331	1.4
216.10196	1.5
217.08673	0.7
218.08128	1.3
218.11763	0.9
223.09961	0.6
224.10640	1.8
225.07715	0.5
226.08617	1.6
227.09416	0.5
228.10213	1.1
230.08052	0.7
230.11873	0.5
231.04926	0.9
232.09662	0.5
233.08110	0.5
235.06071	0.7
236.07018	0.4
238.08604	0.8
238.12331	0.4
239.09396	0.6
240.10211	1.7
242.08150	1.2
242.11792	1.2
244.09802	1.4
244.13457	0.7
246.11302	0.7
250.08644	0.8
250.12398	0.5
252.10208	0.8
254.11813	0.6
256.09641	4.2
256.12384	0.5
256.13358	0.5
257.07935	0.6
257.10361	0.6
258.11267	1.1
260.09064	0.8
260.12955	1.9
261.07584	2.4
266.11813	0.6
268.09711	1.8
268.13199	0.7
269.10529	0.6
270.11307	1.4
271.08679	0.5
271.11884	0.8
272.09244	1.1
272.12802	1.2
282.11285	1.5
282.14532	0.9
284.09171	2.7
284.12506	0.8
285.09973	0.5
285.13641	0.5
286.10837	0.5
286.14365	0.5
288.12323	5.4
296.09201	0.7
296.12695	0.6
298.10904	0.8
298.14346	1.3
299.11679	0.6
300.12500	0.8
300.15735	0.7
302.13861	0.6
304.11731	0.5
308.12952	0.8
310.10748	0.6
310.14334	0.9
311.15167	0.6
312.12692	0.6
312.15982	1.7
314.10410	0.5
316.11813	2.0
317.12576	1.6
322.14490	0.7
324.12350	0.7
324.15875	0.7
326.13828	1.7
328.11780	1.7
328.15182	0.7
338.13992	2.0
339.14694	0.8
340.15402	1.3
342.13272	0.6
342.17041	0.9
344.14905	0.5
346.16464	0.7
350.13367	0.6
352.15591	0.6
354.13358	1.5
355.13904	0.8
356.14871	3.8
358.16345	2.9
366.13470	0.7
368.15024	2.7
370.12595	3.5
370.16815	3.6
372.14340	1.3
372.18164	1.0
374.15918	0.4
380.14960	0.7
382.16583	1.1
384.14496	2.8
390.15359	0.5
398.15991	3.5
399.16232	0.4
400.17627	1.4
402.15472	27.7
403.15787	1.9
408.14679	0.5
408.31741	0.4
416.17273	0.4
426.15500	4.0
427.15872	0.7
444.16531	100.0
445.16873	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	444.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61459	0.7
53.03951	5.5
55.01873	8.3
55.73734	0.8
57.03435	7.3
60.04546	1.0
61.02929	6.1
67.74552	0.9
68.99471	0.8
68.99787	5.0
69.03427	37.6
69.07063	9.9
70.37089	0.8
70.37411	1.5
71.04993	3.9
73.02918	8.3
81.03418	28.9
83.01366	1.3
85.02903	100.0
86.03214	1.5
87.00828	35.1
91.03940	1.5
97.02889	28.1
99.04459	19.6
103.03907	1.3
105.01866	33.9
105.83967	0.8
108.04471	9.3
109.02882	33.5
110.03241	0.8
115.03917	1.2
117.01852	3.6
123.04433	9.2
126.05529	5.2
127.03912	75.4
128.04283	1.4
129.01845	5.3
137.06055	1.2
145.04955	42.5
147.02975	5.0
147.04372	5.7
159.02895	23.2
161.05957	2.0
165.05501	6.6
171.02922	1.2
177.03960	1.4
177.09174	1.8
179.10712	2.4
185.05925	0.9
189.03925	4.3
189.05521	4.7
189.09074	1.5
191.10670	0.9
198.62546	0.8
201.05551	1.2
203.10692	10.4
206.15663	0.8
213.03934	3.6
219.10188	0.9
219.69107	0.8
219.72220	0.8
221.11765	6.2
225.09810	0.8
230.06595	2.6
231.04872	16.4
231.06940	1.7
240.45363	0.8
245.11708	5.4
248.07742	5.9
266.08798	1.8
269.11783	2.7
287.12811	5.6
313.99567	0.9
335.07605	4.2
373.13144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26007	0.9
55.05501	1.0
59.04786	0.7
59.05007	7.4
62.58252	0.7
67.05502	1.4
69.03429	17.3
69.54311	3.3
79.05481	0.8
83.01359	5.5
95.08578	1.0
97.02899	1.2
98.22657	1.3
99.04458	13.0
101.06026	1.3
109.02931	0.8
119.08601	0.9
127.03905	1.6
129.05463	4.8
143.57510	0.7
146.05963	1.0
155.03387	100.0
156.03777	1.4
160.11278	1.3
162.12767	1.3
167.07054	1.5
174.08746	0.8
186.09206	0.8
188.10678	8.6
216.10228	1.9
230.15398	19.7
231.15768	1.0
248.12791	1.3
258.14883	24.9
259.15146	1.7
284.12958	0.8
290.17508	20.7
298.14078	0.9
310.20407	0.9
316.15143	1.2
342.13544	0.8
364.14505	1.0
384.18283	4.0
412.17532	31.7
413.18130	1.7
444.20023	12.4
445.21506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57557	0.7
55.05519	0.7
70.18050	1.1
70.18369	0.8
71.04979	2.1
72.12885	0.6
80.04977	1.0
95.04958	0.9
97.06535	1.2
99.04463	4.9
105.16723	0.7
109.06541	4.8
113.00020	0.6
118.06605	0.8
120.08127	2.1
130.06555	2.0
130.07433	0.8
131.07303	2.2
132.08089	2.7
134.09598	1.2
137.05930	0.9
143.07303	1.0
144.08064	1.9
146.09654	2.6
148.07545	2.2
154.06487	0.8
155.03380	8.0
155.07220	0.9
156.08063	4.1
157.08885	3.7
158.09669	13.0
160.07605	2.7
160.11256	3.6
162.09164	1.0
165.05478	6.5
168.08107	0.8
169.08643	6.6
170.09698	3.9
172.11217	2.0
173.08362	1.2
174.09149	34.3
174.12773	2.0
175.09811	1.6
176.10677	1.7
183.06606	1.4
184.11206	16.5
185.11971	5.1
186.09103	1.4
186.12819	5.9
187.09889	1.0
188.10732	5.7
188.94048	0.9
189.11475	13.6
190.11951	0.9
197.08125	4.0
200.10698	3.3
201.11444	1.6
202.12286	13.0
204.10170	3.4
212.10715	2.6
212.14418	1.1
216.13852	25.0
217.14452	1.7
218.11737	4.6
218.15442	1.8
224.84767	0.8
228.10248	2.3
230.11763	32.2
231.12230	1.0
238.12325	1.2
244.13283	1.5
246.11267	21.8
247.11888	2.7
248.12836	7.8
258.14844	7.5
260.12848	3.2
261.13559	6.3
262.14398	100.0
263.14771	4.0
280.13364	1.8
285.13791	0.8
290.17545	3.2
296.12961	0.8
314.13898	2.1
334.14545	1.4
335.14856	0.9
336.15872	0.8
340.15372	1.2
346.16644	1.5
356.14871	1.2
366.17157	2.4
367.17105	0.8
368.18631	1.7
380.14972	3.3
394.16492	2.7
398.19766	3.1
412.17578	12.2
426.19095	2.2
444.20160	80.3
445.20483	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2021
Annotation	CHEBI:68255
Peak:m/z	Relative Intensity
53.52192	0.7
55.05495	0.8
62.19048	0.8
67.05497	1.1
68.62712	0.7
69.03429	1.0
69.48203	3.4
71.05013	4.1
73.72199	0.7
76.22616	0.7
78.75127	0.7
79.05454	1.0
81.07050	1.1
83.01337	1.5
90.19469	0.8
91.05467	1.7
94.04155	1.3
95.04987	1.3
99.04468	5.8
106.06525	1.2
109.06534	8.2
117.05645	1.1
117.73921	0.7
118.06548	1.2
120.08118	1.7
126.06798	1.0
130.06589	3.3
132.08058	2.5
137.05972	4.0
141.09142	1.1
143.07300	1.3
144.08073	3.8
145.08830	1.7
146.09593	2.6
147.06790	0.8
148.07558	3.9
150.52782	0.7
155.03384	13.2
156.08124	4.2
157.08850	5.2
158.09663	13.1
159.10413	1.3
160.07581	3.1
160.11179	3.3
161.08366	1.2
162.09106	1.8
165.05499	10.8
167.07010	0.9
169.08638	13.7
170.09669	4.9
171.10396	1.2
172.07538	2.3
172.11212	2.2
173.08282	1.0
174.09154	34.2
174.12764	2.9
175.09914	3.6
176.10699	2.3
184.11221	14.9
185.11992	6.1
186.09126	2.2
186.12807	5.1
187.09851	1.5
188.10703	7.6
189.11494	12.0
190.08569	0.9
197.08109	8.4
198.12688	0.8
200.10699	5.2
201.11469	0.9
202.08632	0.7
202.12280	12.6
203.12898	1.5
204.10211	2.8
212.10713	3.2
212.14343	3.3
214.12259	1.4
216.13840	22.1
217.14417	2.3
218.11755	8.0
218.15373	1.6
228.10181	1.7
230.11774	33.2
232.13358	1.1
238.12331	1.3
240.13765	1.8
242.12007	0.7
243.12518	1.2
244.13287	1.5
246.11261	35.7
247.11905	3.3
248.12807	13.9
252.13852	0.8
258.14899	11.3
260.12878	4.3
261.13608	9.8
262.14395	97.2
263.14740	2.7
266.11710	0.9
270.15042	1.0
278.11847	0.9
280.13223	1.5
290.17535	6.7
296.12836	0.9
301.92462	0.8
314.13779	1.1
324.12341	1.0
334.14328	2.0
335.14877	0.9
338.14050	1.1
340.15659	1.5
350.17587	1.0
352.15494	1.4
356.14890	1.2
366.17105	3.0
368.18570	2.6
380.15024	4.3
384.18039	1.5
394.16486	3.2
398.19556	4.9
400.21136	1.4
412.17532	14.3
413.17868	0.8
426.19135	3.7
444.20172	100.0
445.20609	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	444.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58775	0.2
69.03432	0.2
70.06598	0.2
70.67482	0.2
79.05502	0.5
88.43922	0.2
88.96073	0.2
91.05482	0.6
93.07077	0.3
95.04920	0.3
95.12121	0.2
98.06068	0.5
99.99165	0.2
105.07022	0.6
107.08579	0.3
110.09704	0.2
119.21329	0.2
122.09647	0.3
132.08105	2.6
133.10115	0.6
134.09663	0.5
135.10461	0.2
136.11201	0.3
142.11812	0.2
150.12772	1.1
158.09633	1.3
160.11224	8.2
174.05704	0.2
176.10643	0.5
178.12271	100.0
179.12668	2.7
203.86896	0.2
206.11768	64.0
207.12143	1.8
278.01627	0.2
328.36249	0.2
383.22339	0.2
444.20047	0.9
445.22733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05568	0.2
62.03471	0.2
67.05494	0.2
69.03414	0.4
69.15142	0.9
70.06587	0.3
79.05511	0.3
85.02885	0.3
91.05499	0.6
93.07034	0.2
96.08100	0.2
98.06046	0.4
99.93061	0.2
105.07008	0.4
107.08574	0.4
108.08156	0.2
109.08952	0.4
110.09666	0.3
119.08557	0.3
120.08117	0.2
122.09676	0.4
127.03936	0.3
132.08093	2.1
133.10120	0.7
134.09671	0.5
143.08559	0.2
150.09138	0.2
150.12766	1.2
153.19589	0.2
158.09663	1.2
160.11220	7.9
165.09090	0.7
176.10744	0.5
178.12265	100.0
179.12624	2.6
196.57542	0.2
204.10130	0.3
206.11761	67.6
207.12119	2.0
295.50180	0.2
444.20270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01856	0.8
59.04995	8.0
63.46672	0.6
69.03066	1.3
69.03429	22.5
70.98367	0.6
71.04954	0.7
71.45250	0.8
71.45629	0.6
83.01336	5.2
95.01337	0.6
97.10214	0.6
99.04449	13.3
101.05984	1.0
120.08070	1.1
121.10129	0.9
123.00755	0.8
129.05470	5.8
146.06024	1.0
146.74091	0.6
155.03380	100.0
156.03709	2.5
160.11208	2.0
162.12735	2.2
167.07047	2.3
177.79999	0.8
188.10701	9.8
202.12448	0.9
215.12785	1.5
216.10225	3.1
221.01309	0.7
229.11024	1.0
230.15376	21.1
230.17699	1.2
231.15826	0.9
248.12828	1.4
258.14877	26.2
259.15228	1.5
283.16873	1.6
290.17490	21.4
291.17920	1.5
316.15326	1.2
384.18033	9.3
394.16479	1.0
412.17505	32.9
413.17902	2.7
444.20248	13.7
444.36844	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	444.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33233	0.4
55.01866	0.6
55.05501	0.8
61.69215	0.3
67.05501	0.8
69.03425	5.0
69.60894	1.1
70.06590	4.3
71.04997	4.9
72.08141	0.9
79.05496	1.1
80.05029	0.5
81.07046	1.1
82.06603	0.5
83.04958	0.7
84.08140	2.1
85.02898	0.5
85.06523	0.9
86.06078	0.5
86.09714	1.8
91.05462	0.7
93.07042	0.9
94.06580	0.7
95.04974	1.4
95.08606	1.2
96.08127	1.3
97.06557	0.7
99.04454	4.4
104.80450	0.3
105.07018	1.1
107.08586	0.7
108.08147	0.4
109.06517	1.0
109.10156	0.4
110.09646	1.1
111.08078	11.4
112.11951	0.3
113.09638	0.5
115.03956	0.5
119.08599	0.6
120.08050	0.4
121.10082	0.3
122.09681	1.2
122.51016	0.3
123.08067	2.4
124.11228	1.0
125.06028	0.6
125.09637	0.9
129.10286	0.7
131.46404	0.3
134.09688	0.7
135.08080	0.4
136.11218	2.3
139.07547	0.9
141.09052	0.7
146.09660	0.4
147.08058	0.6
149.09612	0.5
150.09082	0.6
150.12755	0.4
152.10735	1.2
152.13748	0.4
153.09077	0.6
154.12306	0.4
155.07043	1.3
160.11226	0.4
162.12796	0.5
163.03888	1.9
163.11044	0.4
164.14369	2.1
165.09103	0.9
166.12292	0.4
168.10188	0.7
170.11784	1.5
175.11212	1.1
176.14421	0.3
179.10591	0.4
180.13838	1.1
182.11763	3.2
184.13345	1.3
190.15947	0.8
193.12216	0.6
197.20682	0.3
200.12842	0.7
203.10614	0.5
208.13484	0.4
208.17024	0.8
221.11758	1.7
234.14934	0.5
236.16592	0.6
239.12802	1.6
252.15903	0.5
262.18002	0.8
334.20090	0.5
338.19641	0.5
340.20822	0.5
352.21249	1.5
380.24570	0.6
390.22757	1.0
408.23825	6.2
426.24875	14.5
427.25150	0.9
444.25916	100.0
445.26169	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	444.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
55.54898	0.3
56.05038	0.3
62.25599	0.3
67.05511	0.6
69.03438	5.0
69.37103	1.4
70.06596	3.6
71.05001	4.3
74.19890	0.3
74.34904	0.3
78.01720	0.3
79.05502	1.0
80.05038	0.4
81.07059	1.1
82.06611	0.4
83.04965	0.5
84.08144	1.8
85.02924	0.3
85.06539	0.8
86.06058	0.6
86.09710	0.4
87.04473	0.4
91.05477	0.7
93.07059	1.2
94.06573	0.4
95.04967	1.7
95.08616	1.2
96.08098	1.5
97.02953	0.4
97.06510	0.4
97.08922	0.3
99.04465	4.4
105.07056	0.7
107.08607	0.8
108.08137	0.3
109.06512	0.6
109.10137	0.6
109.64724	0.3
110.09700	0.9
111.08084	11.0
112.07675	0.3
115.24268	0.3
119.08616	0.8
121.06523	0.5
121.10159	0.4
122.09676	1.0
123.08062	2.1
123.49188	0.3
124.11234	1.4
124.31309	0.3
125.06023	0.4
125.09637	1.2
134.09666	0.6
135.08067	0.6
136.11224	2.6
137.09619	0.6
139.07529	1.0
141.09125	0.9
145.10120	0.4
145.21008	0.3
147.08049	0.8
148.11180	0.4
150.09178	0.8
152.10718	1.6
153.09077	0.5
154.12276	0.3
155.07030	1.3
163.03935	0.7
164.14357	1.8
165.09152	0.7
166.12302	0.4
168.10223	0.4
170.11789	1.5
174.12845	0.5
175.11177	0.7
176.14366	0.6
180.13803	0.5
182.11765	2.7
183.10188	0.4
184.13335	1.7
190.15941	0.6
193.12277	0.9
194.85516	0.3
195.13843	0.4
200.12868	1.0
208.16972	0.7
221.11719	1.6
234.14891	0.3
236.16545	0.7
239.12755	2.3
262.18103	0.9
264.19345	0.3
280.19104	0.4
326.19907	0.3
334.20316	0.4
340.21304	0.3
352.21194	0.3
372.21445	0.4
390.22736	0.8
398.25842	0.3
407.09576	0.3
408.23883	5.1
426.24893	15.1
427.25162	0.9
444.25949	100.0
445.02371	0.3
445.26129	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47295	0.3
55.05518	0.9
56.05044	0.8
67.05500	0.7
67.25647	0.3
69.03432	5.2
70.06593	7.7
71.04992	3.7
71.06903	0.5
72.08152	3.1
72.75608	0.3
73.04755	0.7
79.05495	1.3
80.05019	0.8
81.07052	0.9
82.06559	0.6
82.19772	0.3
83.04954	0.3
84.04498	0.5
84.08144	4.7
85.02905	0.6
85.06548	0.7
86.06043	0.4
86.09706	6.5
87.04468	0.7
91.05422	0.5
91.05859	0.4
93.07045	1.3
94.06570	0.9
95.04954	1.7
95.08614	1.9
96.08134	1.3
97.02908	0.5
97.06525	0.7
97.87319	0.4
98.06000	0.4
99.04464	4.0
103.05441	0.3
105.07029	1.1
107.08590	1.2
108.08123	0.4
109.06521	0.4
109.10229	0.4
110.09686	1.3
111.08087	8.7
112.11356	0.3
113.09682	0.4
115.04013	0.3
116.07124	0.8
119.08582	0.9
120.08125	2.6
121.06483	0.5
121.10178	0.4
122.08794	0.3
122.09666	1.3
123.08064	2.1
124.11234	1.4
125.05975	0.5
125.09609	0.9
129.10245	1.9
130.08638	0.5
131.08568	0.4
134.09674	1.1
135.08072	0.5
136.11220	2.1
137.09604	0.6
138.09084	0.3
139.07562	1.9
141.09151	0.5
145.10179	0.5
146.05971	0.4
146.43309	0.4
147.08066	1.0
148.11234	0.8
150.09166	1.2
152.10742	1.3
153.09140	0.5
154.12253	0.5
155.07031	1.1
162.12802	1.0
163.03879	0.8
164.10716	0.5
164.14365	1.5
165.09103	0.7
166.12230	0.6
167.05562	0.5
168.10165	0.7
170.11778	0.9
174.12828	0.4
175.11244	0.5
180.10205	0.4
180.13866	0.5
182.11787	3.4
184.13345	2.5
185.16510	0.4
187.11253	0.4
193.12308	0.7
195.13829	0.4
199.14302	0.5
200.12825	1.6
203.10718	0.6
208.17014	0.4
212.98466	0.4
213.16014	0.5
221.11845	1.1
229.15517	0.5
232.12950	1.0
234.14944	0.4
236.16422	1.0
239.12730	1.1
246.14519	0.6
247.13341	0.7
260.16388	0.6
262.17911	0.5
264.19467	0.5
265.14395	1.4
280.19360	0.4
290.38535	0.3
292.19067	0.6
296.18549	0.5
298.34933	0.3
308.18225	0.4
320.18600	0.4
322.20108	0.6
338.19385	0.4
340.21323	1.6
342.99371	0.5
352.21188	1.3
359.02939	1.0
380.24234	1.8
382.22314	0.3
390.22781	0.8
398.25424	2.0
408.23752	5.4
426.24823	14.8
427.24908	0.7
444.25885	100.0
445.13425	0.4
445.26297	6.9
451.36310	0.4
467.42947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97509	0.5
55.05506	1.6
56.05037	1.8
61.14527	0.5
62.09719	0.5
67.05513	1.8
68.05022	0.8
69.03433	2.1
69.75746	1.3
69.76140	0.9
70.06567	1.2
71.04996	4.7
75.13127	0.6
79.05504	1.6
80.05024	14.0
81.03425	0.8
81.07058	1.9
82.06591	1.9
83.04993	0.9
85.02922	0.8
85.06547	0.8
87.04506	0.6
91.05480	1.0
93.07059	1.8
94.06572	2.3
94.84126	0.7
95.04970	9.7
95.08615	2.0
96.08119	3.2
98.06074	2.3
98.23479	1.0
99.04469	3.6
101.06041	1.5
105.07045	1.9
107.08639	1.3
108.08151	0.8
109.06540	0.7
113.06001	2.4
116.07091	0.5
117.05505	0.9
117.07063	0.5
119.08626	1.6
120.08118	2.2
121.06516	1.0
121.10168	0.8
122.06059	0.5
122.09740	0.6
123.04443	1.1
123.08069	0.8
133.10156	1.0
135.08078	0.6
137.09669	0.7
138.09116	8.2
138.09999	0.7
139.07573	1.3
140.10712	3.2
141.05507	2.0
145.10193	0.8
147.11732	1.0
148.07588	1.8
150.09200	0.9
151.09680	0.8
155.07056	0.6
156.10205	4.4
164.10730	1.1
166.08670	2.0
167.07156	0.5
168.10187	0.9
171.11713	0.7
184.09711	8.8
186.11218	2.6
189.12885	0.7
202.10822	1.9
273.04214	0.5
292.19168	0.6
336.21744	2.2
340.21246	4.3
362.23267	2.8
380.24301	13.3
381.24637	0.5
390.22470	0.6
398.25323	5.4
408.23712	4.6
426.24875	24.1
427.25168	1.1
444.25940	100.0
445.26263	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	445.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05514	0.7
66.04713	0.8
69.03439	0.6
69.07047	1.0
77.03934	0.9
79.05479	2.3
81.07045	1.7
91.05469	3.1
94.04181	5.8
95.04958	2.3
103.05460	1.5
105.03397	10.9
105.04476	1.3
105.07030	7.7
107.04962	1.9
109.06512	2.8
115.05427	3.2
118.04279	0.7
121.06507	2.0
122.03642	12.0
128.06224	2.1
130.04092	0.6
131.04915	1.6
133.06485	5.4
134.98143	1.4
137.05974	100.0
138.06310	2.0
141.06979	2.0
143.04970	0.6
146.03624	4.0
149.05975	1.6
156.05724	1.1
159.07983	0.7
161.05975	44.9
162.06360	1.4
167.33994	0.6
168.05687	0.8
169.06409	0.8
171.08009	1.8
175.07545	0.9
184.05154	3.1
187.07555	1.4
189.07028	1.1
190.07761	0.9
191.08575	3.2
192.09349	1.5
199.07536	22.7
200.07977	1.5
202.07751	10.7
203.08533	19.1
204.09178	2.2
205.06453	1.8
206.07295	0.9
207.08035	1.2
215.08583	1.3
219.08054	7.2
220.08812	6.2
221.09451	1.1
226.08086	0.7
230.07219	2.1
231.08022	27.4
232.08809	6.5
233.06104	1.0
233.09146	0.7
235.07524	0.7
235.11153	1.5
245.09691	1.2
247.07600	4.5
248.08316	14.8
249.09105	2.3
258.06815	2.3
259.07541	22.2
260.08301	13.4
261.05362	0.7
261.09079	2.0
262.09897	1.8
263.10675	11.6
273.09085	0.7
274.09708	0.8
275.07062	2.1
276.07828	10.5
277.08533	4.8
289.44843	0.7
291.10147	78.6
292.10715	11.0
293.08075	2.1
295.10083	0.7
295.13278	3.4
308.10486	1.5
323.12762	30.8
324.13031	1.5
445.22952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
52.06912	0.5
53.03944	0.5
53.47286	0.5
53.69770	0.7
53.72912	0.5
55.01866	1.5
65.03939	0.8
66.04710	0.7
69.06702	0.6
69.16417	1.6
69.16850	1.7
74.66064	0.4
77.03922	1.1
79.05510	2.8
81.07052	2.0
91.05488	2.4
94.04191	5.9
95.04973	4.4
103.05450	3.2
105.03396	15.5
105.04506	1.8
105.07027	15.2
107.04945	1.1
109.06514	2.8
115.05452	5.5
118.04212	1.0
122.03647	12.5
128.06229	2.1
129.06987	0.6
131.04929	2.1
133.06477	11.1
135.04411	0.6
137.05975	100.0
138.06305	2.0
139.05428	0.9
141.06976	1.2
143.04990	0.9
143.06033	1.3
146.03642	5.7
147.04353	0.9
156.05719	1.4
161.05975	58.1
162.06531	2.0
165.07060	0.7
171.08044	1.7
175.07539	0.8
178.07820	1.3
179.08571	0.7
184.05208	4.2
187.07602	1.4
189.06973	1.1
190.07785	0.8
191.08527	3.2
192.09329	1.6
199.07547	19.5
200.07875	1.1
202.07771	15.6
203.08539	22.6
204.09224	2.0
205.06512	1.9
206.07256	0.6
213.06966	0.7
214.07674	0.6
215.08647	1.0
217.09927	0.6
218.07204	1.1
219.08044	7.5
220.08810	7.9
221.09521	1.1
230.07220	2.5
231.08029	34.0
232.08781	9.2
233.05923	1.0
233.09425	1.2
234.06802	1.0
235.07684	0.6
235.11137	1.7
236.95601	0.6
237.09065	0.9
243.08028	1.1
245.09631	1.3
247.07506	5.3
248.08321	15.4
249.08972	2.2
258.06744	2.3
259.07541	25.8
260.08289	16.7
261.09009	2.0
262.09906	1.3
263.10657	12.5
264.11099	0.7
265.08539	1.7
273.09106	0.8
275.07047	2.8
276.07803	12.1
277.08575	4.8
291.10150	75.4
292.10730	7.9
293.08102	1.7
293.11258	0.5
295.10159	0.5
295.13315	2.8
307.09296	0.5
308.10361	2.7
323.12762	26.7
324.13135	1.6
407.72177	0.5
413.13705	6.7
445.16620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36854	1.2
55.05512	2.1
56.05050	1.5
56.96552	1.6
67.05497	2.7
69.03424	3.9
69.07082	1.6
69.28540	5.7
70.06590	1.8
70.85003	1.0
71.04991	4.3
72.06526	1.3
72.08157	5.1
73.04765	1.4
74.09729	1.7
79.05504	2.5
79.62656	0.9
80.05025	11.5
81.03416	2.2
81.05354	2.5
81.07068	1.5
82.06554	1.0
83.04997	1.4
85.02914	3.5
86.09710	2.0
91.05819	1.2
93.07034	1.7
94.06564	2.9
95.04981	7.9
95.08636	1.6
96.05306	3.1
96.08147	2.7
97.02901	2.8
98.06059	1.4
98.97599	3.6
99.04447	2.6
100.04763	1.1
105.07018	2.1
108.08138	1.2
110.24316	1.1
110.95837	1.2
113.06007	2.1
115.03931	2.0
119.08585	1.3
120.08170	1.3
121.08408	1.6
122.09612	1.2
127.03957	2.5
133.10127	1.4
135.08025	1.3
138.09160	7.0
139.07509	1.1
139.09489	3.0
140.10719	2.9
141.11076	1.2
141.91602	1.0
145.04994	1.6
152.07118	1.7
156.10236	3.1
157.10515	1.2
158.99648	1.3
165.70914	1.1
167.05513	1.1
169.10413	1.2
170.08118	2.5
177.00729	1.4
184.09645	6.0
185.10056	3.7
186.11308	1.2
195.01143	1.4
202.10672	1.6
229.11917	1.2
267.08984	1.2
284.18655	1.2
296.84497	1.3
325.13208	2.8
340.21390	1.6
341.21600	2.0
343.14175	1.3
363.23703	2.6
380.24161	2.5
381.24652	10.9
399.25693	4.0
409.23990	3.3
426.25009	5.7
427.25198	19.4
444.25912	25.8
445.18289	100.0
445.26074	87.6
446.18323	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	445.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.0
66.18127	0.9
70.06591	2.0
73.04737	2.4
84.08153	1.9
84.98705	0.9
86.09705	27.5
91.05811	3.4
97.02892	1.4
98.97605	1.8
116.98618	1.0
124.11233	1.2
129.03998	1.1
129.10272	1.8
132.10242	1.3
142.07149	3.1
144.08742	1.9
145.03477	3.5
147.05054	2.8
152.05714	1.8
154.03537	2.0
154.07181	2.3
156.05112	1.2
157.03447	1.2
160.08183	5.3
162.09769	2.3
165.06108	1.6
167.05548	1.5
172.01326	0.8
172.04588	5.0
172.08186	20.3
173.08278	1.0
175.04509	1.7
175.11914	2.4
187.01712	1.1
190.05574	7.4
190.09259	8.9
191.07675	1.1
208.10298	10.9
212.11353	3.8
214.12894	3.6
215.29373	1.0
219.01776	1.6
224.11311	6.5
225.04297	1.0
230.12398	1.6
232.13802	1.1
237.02907	1.5
240.10918	7.5
242.12361	4.8
250.09290	1.3
252.04282	0.9
252.10876	1.8
258.11871	18.1
259.12015	1.6
260.13477	9.9
268.10333	14.2
269.10544	1.1
270.11862	3.4
274.04272	1.7
286.11371	28.2
287.11526	2.2
290.06314	1.1
296.09879	1.5
303.17508	1.1
304.12527	8.6
305.12665	1.9
314.10837	100.0
315.11038	6.8
332.11893	14.8
341.05539	1.0
359.02792	3.7
385.08142	1.6
445.11157	1.2
445.19348	1.9
445.26273	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	445.2048
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
53.89539	0.2
55.05513	3.8
57.05823	0.6
60.04527	9.6
68.08584	0.3
72.08156	50.5
73.08482	0.4
74.49453	0.2
86.06075	2.8
86.09708	6.0
87.05578	0.5
91.88091	0.3
95.04924	0.3
96.08130	0.5
104.19562	0.3
113.10783	0.6
114.05514	2.7
114.09152	0.7
124.07597	0.7
141.06573	2.3
141.10176	0.4
146.11763	5.0
155.01991	0.5
159.11292	5.1
169.09853	0.4
183.07652	4.7
187.10800	1.4
193.57410	0.3
200.09990	0.3
201.03702	1.0
201.08681	3.9
245.18616	2.1
254.14998	6.0
260.12784	1.5
263.09094	0.3
272.16092	3.0
275.07272	0.5
282.14478	10.2
283.14624	0.4
300.15558	2.6
313.16104	0.8
316.15482	0.3
320.16638	0.3
333.07925	14.4
334.08203	0.4
335.09512	1.1
359.17303	0.9
406.40576	0.3
408.85785	0.3
445.20441	100.0
446.21051	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	445.234
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	4.0
71.43395	3.2
73.63685	3.0
91.05794	4.3
99.04477	17.2
146.09665	6.7
155.03392	100.0
156.08026	4.3
157.08798	4.1
172.11247	5.5
174.09108	6.2
184.11206	4.2
186.12723	5.4
187.13535	6.3
200.20135	4.8
205.39513	3.3
214.15993	10.9
217.14183	3.3
218.11766	4.0
228.23071	4.2
229.10744	4.6
230.11665	5.7
231.12009	7.1
247.11688	6.1
260.16489	57.2
262.14447	4.8
263.14676	11.8
311.11337	3.4
368.18536	5.4
413.17850	9.8
414.19135	72.7
415.19382	3.0
445.20651	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	445.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.9
57.05817	1.3
60.04526	17.6
69.03423	0.8
69.11069	3.0
72.08154	100.0
73.08504	0.5
86.06077	4.7
86.09708	11.8
87.05592	0.8
96.08117	0.5
113.07135	0.6
113.10758	1.2
114.05518	5.5
114.09184	1.7
124.07607	1.0
125.20599	0.5
141.06599	4.1
141.10222	2.0
146.11754	10.9
159.11298	10.0
171.07794	0.5
173.09268	0.6
183.07643	9.1
183.09109	0.9
187.10780	3.0
196.09641	0.6
201.08694	7.4
222.83366	0.5
245.18665	3.8
254.14975	12.1
260.12863	0.9
263.09256	1.7
272.16040	6.3
282.14471	20.6
283.14728	0.8
292.47577	0.5
300.15500	6.9
333.07910	3.8
359.17224	0.8
365.74515	0.5
383.48639	0.5
445.20447	25.7
446.21347	1.5
459.98004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01869	2.8
55.05512	45.6
57.03440	33.6
57.03729	1.2
57.07078	30.4
58.07404	1.2
59.05008	1.9
65.03933	1.4
67.05505	52.4
68.05872	1.1
68.44674	0.9
68.47963	0.9
69.03430	2.1
69.07069	71.1
69.44589	2.8
70.07400	1.2
71.04990	3.7
71.08630	24.1
73.06564	2.4
75.04478	8.8
78.49862	0.9
79.05494	25.2
80.94846	1.0
81.07059	77.2
83.04983	3.6
83.08620	52.6
85.06537	3.9
85.10187	10.3
85.86658	0.9
87.88390	1.0
91.05450	7.3
93.07048	38.8
95.04956	1.8
95.08607	81.8
96.08948	1.6
97.06534	20.8
97.10168	32.3
99.08095	2.9
101.06023	3.6
105.04504	2.0
105.07024	3.4
107.08592	28.3
109.10155	32.8
111.08080	12.0
111.11714	9.2
113.06009	3.4
115.07579	3.0
119.08588	9.3
121.10149	36.2
122.10507	1.7
123.11703	12.0
125.09621	8.3
125.13274	2.3
129.09102	3.0
131.07039	5.1
133.10149	3.2
135.08072	2.0
135.11697	26.4
137.13232	8.7
139.11183	8.9
143.10703	2.7
147.11690	4.6
149.13246	16.4
151.14867	3.5
153.12743	6.9
157.12282	2.3
161.13271	4.9
163.14847	8.7
165.12764	2.2
167.14331	6.5
171.13823	2.7
175.14856	1.2
177.16396	6.7
178.44522	1.0
179.14259	4.5
181.15919	5.0
185.15335	1.9
191.17949	1.9
195.17473	3.2
199.16991	2.9
209.18956	1.5
209.22824	1.1
213.18536	1.7
233.22630	14.9
243.20934	1.5
251.23730	18.0
261.22202	6.3
269.24792	2.5
279.23227	14.4
297.24124	5.9
315.25293	100.0
316.25787	4.2
350.31467	0.9
353.26852	41.6
354.27365	2.3
371.27899	61.2
372.28253	3.0
413.14487	1.3
427.30576	25.3
445.31641	59.6
446.31982	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	445.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52896	2.4
55.05509	15.2
57.07075	11.1
57.38662	2.9
67.05512	6.7
69.07070	15.5
69.42343	11.7
71.08642	7.9
79.05510	3.2
81.07068	9.9
83.08624	15.5
84.05100	2.8
85.10192	2.5
93.07058	6.5
95.08627	8.0
97.10164	10.6
107.08590	8.5
109.10183	7.2
119.08557	5.6
127.08861	2.7
135.08043	3.6
137.09642	12.5
145.10262	2.8
149.09630	12.4
163.11203	5.1
165.09123	100.0
166.09467	3.0
189.12645	4.9
191.10719	5.6
202.10074	3.2
203.10661	5.7
205.02937	2.9
205.12296	16.0
231.13847	7.2
343.31598	3.2
343.73239	3.3
409.34503	4.7
427.35846	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.2
57.07079	7.2
67.05502	4.9
69.07076	18.8
70.68188	1.8
81.07047	10.7
83.08624	14.7
88.33768	1.8
91.05445	2.1
93.07056	3.0
95.08609	6.7
97.10172	7.0
107.08607	5.6
108.32028	1.7
109.10155	6.9
111.04517	2.0
111.11691	2.9
119.08581	4.7
123.11687	3.2
125.13249	3.1
135.08087	2.8
135.11662	2.1
136.85396	2.3
137.09615	9.5
149.09645	7.3
161.09680	2.0
161.16507	1.9
163.11217	6.0
165.09126	100.0
177.09120	5.4
191.10721	5.4
203.10706	5.3
203.14290	2.6
205.12172	10.5
219.13750	4.2
231.13884	3.5
247.16756	2.0
294.50607	1.9
334.14011	2.0
427.35880	9.3
449.25992	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	446.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
60.04549	0.5
64.39077	0.6
69.03427	0.6
70.06606	3.6
71.04964	0.6
72.08154	4.2
73.04742	2.1
75.09245	0.9
84.04507	1.4
84.08131	3.0
85.02890	0.8
86.09705	5.2
91.05790	2.0
95.04960	0.8
97.02908	1.0
101.07166	0.7
102.05550	0.8
103.05463	31.8
120.07995	0.7
129.10234	2.6
131.04921	100.0
132.05247	2.3
136.06172	1.7
152.07034	1.2
163.07526	48.7
164.07866	1.5
167.05585	1.0
170.08221	0.8
173.12828	1.8
188.09344	1.5
201.12289	0.9
216.08801	1.1
220.77483	0.7
224.71246	0.6
231.64473	0.6
234.09830	8.2
239.94159	0.6
242.33118	0.6
268.66364	0.6
359.02771	1.1
360.03015	1.9
381.56979	0.8
428.16211	0.9
428.25339	0.8
445.26263	1.8
446.16379	2.4
446.26334	5.1
447.18665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03935	1.6
55.01869	1.1
55.05505	0.9
56.59812	0.6
57.03430	1.5
58.06599	1.0
61.02913	1.3
64.37434	0.6
65.03930	2.6
67.05500	4.2
69.03112	0.8
69.03431	9.2
70.06589	2.4
71.04980	1.2
72.08144	2.6
73.02908	2.6
73.04758	1.1
75.09224	0.9
77.03934	0.9
79.05494	5.0
80.05024	1.0
81.03416	6.0
81.05773	0.9
81.07044	1.6
83.04968	0.9
84.04479	1.1
84.08138	1.3
85.02908	13.3
86.09696	2.2
87.04470	6.6
91.05842	1.2
92.05003	3.8
93.05810	1.3
94.06556	1.0
95.04964	2.3
96.08130	4.8
97.02894	7.2
98.97577	0.9
99.04465	2.0
106.05816	1.2
106.06553	43.9
108.08117	80.1
109.02869	3.4
109.05253	1.1
109.08446	1.2
115.03928	9.1
122.05965	0.6
122.09676	0.7
123.06806	7.7
124.07592	30.2
124.37090	0.6
127.03915	8.3
129.10258	0.9
131.04980	0.8
132.58875	0.7
133.04944	0.8
134.06013	23.5
136.07579	18.9
145.04945	4.7
148.07578	1.0
150.05455	0.8
152.07063	93.6
153.07512	2.5
154.08572	0.8
163.03918	0.8
163.07578	0.6
164.07018	1.0
167.05614	0.7
170.08131	38.2
171.08510	0.9
194.08150	1.1
195.01042	0.8
208.13321	1.0
220.13403	0.6
222.14998	0.8
233.30247	0.6
238.14536	0.7
249.11221	1.2
259.08063	1.4
262.87509	0.7
266.13901	1.2
284.14981	0.7
284.18558	1.7
296.11243	1.0
302.51743	0.7
313.21588	0.6
314.12015	0.9
332.13263	1.7
360.02637	1.1
410.14532	4.1
413.60040	0.7
428.15512	22.0
429.15747	0.9
445.26413	1.4
446.16602	100.0
447.17096	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	446.1658
Annotation	THIOPROPAZATE
Peak:m/z	Relative Intensity
53.03949	1.4
54.94587	0.8
57.03420	1.8
65.03940	3.1
67.05510	3.7
67.50847	0.6
67.98647	0.5
69.03428	8.0
69.45911	1.4
69.46294	1.1
70.06571	1.0
71.04969	0.9
73.02898	2.2
79.05495	4.9
81.03421	4.5
81.05788	1.0
81.07022	1.5
85.02901	10.1
87.04475	4.8
92.05008	2.7
93.05782	1.1
95.04952	1.3
96.08131	4.2
97.02882	5.2
99.04432	1.1
106.06554	41.2
107.06844	0.7
108.08115	73.5
109.02864	2.9
109.05264	0.8
109.08414	1.3
114.16523	0.6
115.03934	6.1
123.06808	6.2
124.07588	25.7
127.03905	6.4
134.06010	20.8
136.07565	18.0
145.04938	3.5
147.06850	0.6
148.07545	0.7
150.05511	0.7
152.07062	88.9
153.07573	1.9
154.08594	0.9
158.95679	0.5
164.07106	0.8
170.08119	33.3
176.07104	0.6
194.08170	1.2
207.50011	0.7
237.08481	0.6
259.07993	0.9
281.42874	0.8
296.11426	0.6
296.41202	0.6
308.45514	0.6
314.12363	1.0
332.13287	0.7
358.05344	0.7
410.14355	2.9
428.15503	23.0
429.15695	0.8
446.16577	100.0
447.17062	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	446.1811
Annotation	Fumiquinazoline B
Peak:m/z	Relative Intensity
58.26440	2.6
67.05506	7.7
69.03430	10.3
69.93800	5.6
69.94150	4.0
70.06588	7.8
71.04972	6.7
79.05489	5.0
83.01333	3.8
83.04975	3.2
89.06036	4.7
93.07087	5.0
94.06592	3.0
95.04968	6.8
96.08192	3.1
98.22693	3.2
99.04458	8.1
103.05513	3.0
105.07030	4.2
109.06494	4.5
110.06017	4.8
117.06976	3.2
120.08150	3.4
128.06210	4.6
129.07036	3.0
133.08722	3.0
134.09653	3.9
136.07539	7.1
143.08490	3.0
146.09627	6.0
147.10472	3.3
148.07678	3.3
151.03868	3.6
155.03468	4.0
155.07033	8.0
158.09692	4.9
159.08072	4.0
160.07602	4.3
162.09123	5.7
165.05524	7.9
168.72452	3.7
171.06749	2.9
172.11266	5.2
174.09177	5.2
183.06473	15.8
186.09216	3.6
188.10710	2.9
189.11432	3.3
190.12338	4.5
193.75964	3.0
200.10730	8.1
202.12199	3.3
212.10759	5.5
214.12315	6.5
216.10237	3.0
216.13773	3.5
217.08783	2.9
218.11844	4.5
226.12119	4.0
228.10173	2.8
230.11781	11.2
232.13329	5.7
242.11813	4.7
244.13312	5.7
246.11255	6.5
256.13446	4.3
260.12808	4.5
268.13373	4.2
272.12784	4.6
274.00064	2.8
274.10883	2.7
274.14349	10.1
284.12820	4.1
290.13904	7.6
298.14371	6.3
302.13693	6.1
306.13385	13.7
314.13574	3.0
318.13449	8.9
320.15189	4.9
324.15875	3.4
342.17154	6.9
344.14917	12.9
352.15436	3.5
370.16516	22.6
372.18127	11.5
382.16675	5.0
400.17590	27.1
402.18936	3.6
418.18503	56.1
428.17032	51.8
446.18103	100.0
446.24155	6.5
447.18457	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	446.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84050	1.4
53.03959	1.7
55.01875	1.5
67.05496	12.2
69.03422	3.0
69.88280	4.9
70.06586	6.3
71.04987	10.3
79.05482	2.5
83.01354	3.5
85.02841	1.3
89.06021	2.3
91.05473	2.1
93.07038	1.7
95.04967	11.1
95.08595	1.8
99.04436	4.4
105.07042	1.3
108.08124	3.1
109.06529	11.1
120.08076	3.2
127.03982	1.3
127.07570	3.2
129.05461	1.4
133.06465	1.7
134.09698	2.0
135.78587	1.3
137.05965	5.5
140.04660	2.3
146.09651	2.2
148.07588	4.0
151.03883	10.4
155.07001	18.8
158.09671	3.7
162.09065	3.0
164.07098	2.3
165.05489	14.2
170.09674	2.1
171.10376	2.3
172.11253	4.6
174.09216	2.6
175.09950	2.4
183.06522	43.1
186.12802	5.5
188.10728	6.5
190.08731	2.0
192.10197	2.0
198.12732	2.0
200.10693	6.4
200.14304	26.0
201.15131	12.6
202.12257	4.9
207.10077	1.9
214.12259	2.5
216.10204	2.5
217.08762	1.6
217.10988	2.6
218.11752	22.2
226.12294	2.1
228.10402	1.9
228.13890	1.7
230.11676	3.6
232.13416	2.5
234.11188	2.6
236.12857	5.7
237.00392	1.4
244.13312	44.9
244.15831	2.4
245.14066	31.8
246.11247	86.5
247.11646	2.5
256.13278	3.5
258.11258	3.9
258.22183	1.4
260.12787	49.0
262.10773	21.5
262.14383	25.9
264.12250	15.1
270.11285	1.5
272.12787	20.0
273.13602	5.7
274.14325	12.8
284.12994	2.2
286.10751	1.8
286.14230	1.9
288.12250	1.5
290.13852	25.7
292.16229	1.4
300.12411	11.9
300.15567	1.9
301.13013	4.7
302.13849	2.9
312.12259	1.9
315.99295	1.3
316.15491	9.4
318.13330	35.8
330.13297	4.6
354.13284	1.6
359.17206	23.6
372.18127	2.2
386.19440	6.5
400.17496	38.4
401.18173	2.4
418.18701	4.1
428.17044	100.0
429.17194	5.6
446.17871	38.8
446.22281	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	446.1811
Annotation	Fumiquinazoline B
Peak:m/z	Relative Intensity
52.14330	1.9
55.00225	2.0
55.01862	2.4
55.05486	2.1
56.05035	2.1
67.05487	6.3
68.35878	2.0
69.03426	12.5
69.84898	3.7
69.85272	3.8
70.06577	7.5
71.04975	7.1
79.05492	2.8
82.06567	2.9
83.01331	6.5
83.04949	1.9
84.08134	3.2
91.05447	3.5
95.04950	6.9
97.06580	2.2
98.06064	2.2
98.22742	3.5
99.04439	8.6
101.14138	2.4
105.07044	4.2
108.08111	3.3
109.06569	2.2
110.06030	4.3
115.03909	3.2
117.07025	2.1
119.08535	2.7
120.08094	3.3
121.06541	2.3
122.05978	1.9
122.09643	2.9
123.04417	2.1
127.03885	2.6
131.08607	3.0
132.08107	4.5
134.09589	4.4
136.07571	5.3
137.05946	2.5
141.05510	3.8
143.08511	2.0
144.08067	3.2
145.10056	2.1
146.09660	3.5
147.08069	2.6
149.02448	2.3
149.06084	2.7
150.09174	4.8
151.03891	2.8
155.03381	5.9
155.07018	6.4
158.09592	3.3
160.07565	4.4
161.08289	2.8
162.09142	4.1
165.05490	4.6
169.10063	2.1
170.09656	2.8
171.08107	3.2
174.09106	4.5
176.07030	3.8
181.08765	3.4
183.06554	12.2
184.11049	2.4
186.09065	3.6
188.10677	6.5
190.12279	5.1
191.06935	3.2
193.04993	4.9
198.09097	2.8
199.07562	2.5
200.10667	5.4
201.11404	3.0
202.08643	3.5
202.12299	2.8
204.10222	3.2
209.08087	7.4
210.09164	2.5
212.10646	4.9
214.12254	7.1
216.10187	6.6
216.13805	2.6
217.11070	2.0
218.11765	3.5
225.09218	2.6
226.12222	4.9
228.10120	3.1
230.11755	7.2
239.10208	2.0
240.10243	4.1
242.11736	6.0
244.09633	3.5
244.13289	5.7
246.11273	5.1
246.14848	4.2
249.11595	2.3
254.11807	3.6
255.12679	2.7
256.09756	3.0
256.13263	3.1
258.11273	3.9
260.12918	2.1
268.13367	4.1
272.12790	4.7
274.14334	6.3
280.13379	2.6
288.12326	5.0
289.22992	2.0
290.13907	5.5
292.16290	2.1
294.14590	2.4
296.12976	2.1
296.16406	3.0
300.12399	4.0
302.13797	3.5
306.13235	17.2
314.13812	8.4
314.17294	2.3
316.70425	2.1
318.13242	6.5
320.14841	4.0
324.16000	4.5
326.13754	4.0
326.17386	2.7
330.13300	2.7
332.15057	9.8
342.16956	5.7
344.14865	12.3
344.18576	2.3
354.13293	6.4
358.12939	10.1
358.16788	2.6
364.15494	3.1
370.16449	21.1
371.16379	2.4
372.14050	3.0
372.17999	14.6
374.19348	3.2
382.16299	7.5
384.17706	2.6
400.17609	30.2
402.19144	2.4
410.15704	6.0
418.18661	48.8
428.17072	70.3
428.22977	3.7
429.17117	4.0
446.18015	100.0
447.18393	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	446.1813
Annotation	Fumiquinazoline B
Peak:m/z	Relative Intensity
52.73609	0.4
53.03939	0.5
55.01869	0.6
63.09978	0.4
67.05500	0.9
69.03433	9.7
69.07079	0.4
70.06582	1.6
71.04981	0.9
79.05479	0.7
80.05016	1.0
81.07043	0.8
82.06589	0.7
83.01353	1.0
83.07358	1.0
84.08142	4.8
87.04465	1.9
91.22968	0.5
93.07093	0.5
94.06541	0.5
95.04971	0.8
96.08134	9.9
96.48428	0.4
97.06546	0.5
97.08884	1.4
99.04442	1.3
105.07032	1.0
106.06554	1.1
108.08128	0.5
109.06519	0.7
109.10128	0.4
110.06039	1.0
110.09670	1.8
115.03934	1.5
116.15920	0.4
117.05776	0.4
117.06960	0.5
118.06493	0.4
119.08560	0.7
120.08093	1.0
121.06505	0.5
124.07578	0.7
124.84300	0.4
127.03877	0.8
128.06245	0.4
129.06956	0.6
130.12778	0.4
131.08543	0.5
132.08083	1.1
136.07529	1.0
136.36214	0.4
137.05998	0.6
138.12782	0.6
139.13583	5.5
141.06943	0.6
146.09581	0.5
147.08058	0.6
148.07561	1.3
150.09171	1.0
151.07553	1.0
153.07043	0.6
155.07152	0.6
155.08560	0.4
156.08075	0.5
158.05991	0.5
158.09593	0.9
159.08099	0.9
159.10414	0.8
160.07526	0.7
160.11166	0.8
162.09035	0.5
165.05519	0.6
167.07249	1.2
168.07936	0.6
170.05988	0.7
170.09647	1.2
171.06807	0.6
171.08142	0.7
172.07538	0.5
172.11121	0.7
174.09146	0.9
176.07077	1.2
176.10686	0.7
179.07057	0.5
180.17488	2.2
181.08800	0.5
182.09660	1.6
183.06471	0.7
183.08044	0.7
183.10480	0.5
184.07585	0.7
184.11200	1.6
186.09154	3.7
187.09840	1.5
188.10730	1.1
191.07074	0.6
193.08745	0.6
195.10399	0.6
197.08276	0.5
198.06897	0.4
198.09114	1.6
198.12762	1.4
199.09906	0.6
200.10614	0.8
202.08618	0.8
203.13014	0.6
204.10194	1.0
207.10373	0.5
208.07396	0.6
208.11185	1.7
210.09164	0.9
210.12766	2.0
211.09879	0.9
212.06903	0.6
212.10649	1.7
214.08505	0.6
214.12282	0.8
216.10175	1.0
217.08543	0.6
223.09941	2.0
224.10822	0.5
225.11469	1.1
226.08704	1.0
226.12282	3.3
227.09395	0.7
227.13011	1.1
228.10242	1.2
228.13834	0.5
230.08167	0.8
230.11809	1.0
236.10655	2.5
237.11562	0.8
238.08606	1.0
238.12238	4.9
239.09277	0.6
240.10170	0.6
242.08102	0.9
242.11714	0.8
242.15407	0.8
244.13310	1.3
246.11270	1.5
247.09666	0.9
250.12431	0.6
252.10150	1.4
253.11043	1.4
254.11768	5.5
255.12569	3.0
256.09674	1.1
256.13297	1.1
258.11404	0.6
260.12811	4.9
264.10156	1.8
266.08051	0.5
266.11630	0.8
268.13187	2.3
269.14081	1.8
270.11118	1.0
270.14954	4.2
271.09604	0.6
272.12750	0.8
274.14597	0.6
277.10703	0.8
277.20389	9.1
278.11765	0.8
278.20966	0.7
280.09747	1.1
280.13202	0.5
281.10330	2.2
282.11215	2.3
283.12082	0.5
284.12769	1.1
286.14310	1.2
294.11111	0.8
296.12805	5.2
300.12259	0.7
302.14032	0.7
304.13220	0.8
306.14764	1.5
308.12817	1.1
312.12329	0.9
314.13861	14.5
315.14175	0.9
316.15289	0.6
318.13379	0.8
321.13739	0.5
322.10760	1.0
322.14435	1.1
332.15234	2.5
334.14386	1.0
336.15881	0.8
338.17584	0.6
340.11777	3.2
350.13770	0.9
351.14426	0.5
354.13297	0.8
358.12680	2.2
359.17355	2.4
364.15320	1.4
366.16858	0.6
370.20261	0.6
372.14423	1.3
382.16476	3.9
384.17795	0.6
386.19495	1.0
392.14877	1.0
400.17548	20.4
401.17792	1.0
404.17136	1.1
410.15872	4.6
414.15466	2.6
428.17026	17.6
429.17392	1.0
445.73090	4.5
446.17978	100.0
447.18350	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.9
63.14486	0.4
70.06594	0.9
71.78465	0.5
72.08151	0.8
73.04742	0.7
73.59380	0.4
79.05487	0.9
84.08124	1.7
86.09698	0.6
91.05826	0.9
93.07057	1.4
95.04946	0.5
97.02862	0.5
103.05476	6.5
107.04965	1.5
108.23809	0.5
120.08105	100.0
121.08433	3.2
129.10248	1.0
130.04906	0.5
131.04924	3.0
141.93681	0.5
149.05945	2.3
163.07500	0.6
166.08640	54.1
167.08986	1.6
184.09708	0.9
220.75462	0.4
360.02914	0.9
446.18381	2.3
446.24533	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	446.2177
Annotation	Rhamnoerysodine
Peak:m/z	Relative Intensity
51.06361	0.4
53.00312	0.5
55.01872	0.9
56.94228	0.4
57.03429	0.6
65.75761	0.4
67.05508	1.0
68.83360	0.5
69.03441	0.5
69.73054	1.4
71.04990	3.5
79.01856	0.5
80.05022	2.0
83.01353	3.8
95.01321	0.8
95.08618	1.9
99.04463	24.9
102.16622	0.4
103.03966	0.7
106.06613	0.5
107.05062	0.4
118.06591	0.5
120.08125	3.1
131.07056	0.9
132.08076	0.9
134.09662	0.8
144.08037	0.6
146.09660	2.0
148.07581	1.2
155.03398	100.0
156.03734	1.5
158.09656	2.0
159.10448	0.9
160.07585	0.7
160.11235	1.3
162.12784	18.1
163.09956	1.1
163.13155	0.7
167.07040	4.2
172.11209	5.7
174.12798	1.1
176.10698	0.8
183.06506	0.9
184.11281	1.4
185.11954	0.9
186.12799	3.1
187.13565	3.6
188.10844	0.7
200.10783	0.9
212.10757	0.6
214.15912	6.6
218.11659	2.2
227.12918	0.5
228.13756	0.7
230.11710	1.0
231.12500	0.8
240.13803	1.2
242.15457	1.4
250.14453	2.6
260.16470	70.4
261.16812	3.5
268.13214	0.5
273.13788	0.6
274.14362	1.1
298.14371	0.8
316.15436	4.8
338.17514	0.7
340.15375	0.5
368.18610	1.9
370.20126	1.2
391.93509	0.4
396.17984	1.0
414.19165	21.9
415.19516	0.9
446.21829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05492	0.6
56.02651	0.5
56.05092	0.4
67.05495	1.2
69.03413	1.3
71.05003	3.8
79.01862	0.7
80.04996	1.8
83.01338	5.3
93.07027	0.7
95.08614	2.5
97.68563	0.5
99.03806	1.2
99.04453	23.4
103.03951	1.1
107.04942	0.6
109.02861	1.5
120.08113	2.1
123.00807	0.6
127.03970	0.7
131.07045	0.6
132.08075	0.8
133.08904	0.6
144.08061	0.8
146.09613	2.3
148.07571	1.6
155.03383	100.0
156.03693	1.6
157.08859	0.9
158.09639	2.8
159.10402	1.5
160.07559	0.7
160.11223	1.2
162.12775	11.0
163.09897	1.1
167.07048	3.4
171.10452	0.6
172.11211	8.3
173.11972	0.6
174.12759	1.6
176.10637	1.3
183.06523	0.8
184.11176	2.3
186.12756	3.6
187.13544	5.3
202.12386	0.6
212.14369	0.8
214.15869	8.3
218.11745	2.0
230.11748	0.5
240.13811	0.8
242.15436	1.1
250.14319	1.4
258.14941	0.8
260.16446	84.3
261.16837	4.3
298.14301	0.6
316.15359	2.3
368.18500	1.6
370.20093	0.6
396.17819	1.0
414.19073	17.5
415.19263	1.5
446.21817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05019	0.5
56.20367	0.5
59.06108	0.6
64.53601	0.6
67.05495	1.2
68.05038	0.7
69.03438	0.6
69.07060	1.4
69.26614	2.5
70.06597	4.8
79.05464	0.7
81.05761	0.5
81.07050	1.0
82.05025	0.5
82.06592	3.4
83.07359	4.0
84.08142	53.4
91.05469	0.7
93.07050	0.7
94.06577	0.4
95.04975	0.7
95.08618	0.6
96.08130	96.2
97.08926	12.4
99.04472	0.6
107.08633	0.6
110.09674	16.4
111.10479	0.8
115.03851	0.5
116.90574	0.5
119.08615	0.6
120.08063	0.5
121.06526	0.5
124.11243	2.5
137.12016	0.6
138.12775	4.5
139.07541	1.2
139.13556	63.2
140.13916	1.9
145.86469	0.4
151.07506	0.5
154.12276	1.4
163.11177	0.9
168.45586	0.4
171.12570	4.2
180.17464	19.4
181.17841	0.7
247.09592	0.6
248.16513	4.6
251.37949	0.5
260.12833	4.9
261.13342	0.6
276.19568	4.2
277.20358	100.0
278.20950	9.8
316.15472	1.0
333.24637	0.5
359.17316	3.8
386.19659	0.9
400.17557	0.6
428.17084	1.0
445.72992	6.1
446.21872	5.3
446.25891	0.8
446.73267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	37.0
69.72437	2.1
72.08131	1.0
74.97610	0.9
75.79571	0.6
83.97611	0.7
84.04518	0.6
86.09698	0.8
97.99146	1.2
98.93359	0.6
112.72956	0.6
112.97914	0.7
131.51015	0.5
132.08066	1.3
144.96863	0.8
156.01192	0.8
167.03816	0.7
174.02278	41.5
186.02254	0.9
188.03812	11.0
189.01065	0.8
192.03331	44.3
193.03587	1.0
197.03874	1.1
202.01761	1.6
204.03313	2.1
206.04884	14.7
206.18660	0.6
207.01999	1.5
208.02831	0.7
210.04381	5.2
213.03455	0.9
215.04924	24.8
216.03299	1.4
216.05212	1.0
217.06499	26.9
218.01210	0.5
218.04857	1.3
218.06895	0.7
220.02831	3.4
222.04427	4.0
224.05911	1.8
226.03824	0.6
229.02788	1.6
229.06479	0.6
231.04442	2.3
232.38202	0.6
233.05980	13.1
234.04359	1.0
234.06483	0.8
235.07545	17.3
236.02365	0.8
238.03854	1.5
239.04939	0.7
240.05345	1.1
243.04369	11.0
243.06609	1.0
246.54678	0.6
247.03914	2.3
249.05537	1.4
261.05478	100.0
262.06015	3.9
279.06537	61.1
280.06863	2.2
284.07031	1.4
316.00333	0.6
316.06073	11.3
331.11053	0.7
334.07205	2.7
386.11908	2.6
402.11279	16.1
403.11682	1.5
404.12845	1.3
424.91669	0.6
430.10782	20.1
431.11075	2.1
447.13431	39.1
448.12741	4.3
448.78439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58037	14.1
70.06594	100.0
70.06982	5.0
71.06921	4.2
73.99521	3.4
82.04455	3.5
97.26666	3.2
98.06046	9.0
107.66778	3.4
126.05530	12.3
132.58910	6.8
179.82692	4.0
181.11575	10.1
195.11322	13.1
213.12328	12.6
214.12485	3.8
243.63864	19.7
244.14372	7.2
247.60054	4.1
253.08682	5.6
255.90511	3.5
274.14374	81.7
281.71173	3.2
281.74527	3.9
292.16568	20.6
292.66705	7.7
296.10394	9.5
302.13879	64.4
303.14297	3.8
310.17633	4.5
340.69183	4.5
368.82010	3.6
389.21860	9.3
408.97327	3.4
430.13113	6.9
430.18628	80.8
431.18756	4.6
447.17929	16.9
448.19113	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	447.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.0
57.03428	10.0
57.07081	38.7
67.03596	1.4
67.05509	12.4
69.07072	9.4
69.87068	4.8
70.06599	27.4
71.08633	27.2
73.04752	3.7
76.39661	1.5
79.05498	2.0
81.07060	15.4
83.08616	7.7
85.10187	12.7
88.02216	3.8
89.06041	3.2
90.83122	1.4
91.05787	5.7
93.07050	2.6
95.08607	18.9
97.10180	4.8
98.06052	3.3
103.07567	2.5
109.10172	6.6
119.99444	2.0
123.11729	2.2
126.05533	3.7
134.98192	99.6
140.93298	1.7
155.03157	55.8
160.64647	1.6
167.05608	2.1
169.05298	1.5
176.00829	3.7
195.11349	3.1
209.01854	2.4
213.12219	2.2
243.63971	4.5
283.58322	2.0
292.16681	5.1
292.66953	4.0
313.27365	61.9
314.27734	3.4
315.22964	37.2
316.23456	1.9
335.25549	3.1
361.02832	3.2
378.85199	1.7
446.40323	1.9
447.24847	100.0
448.25043	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	447.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.1
56.91920	1.3
57.03434	7.8
57.07079	24.3
62.94937	1.5
67.05499	5.6
69.07052	4.0
69.29214	3.9
69.29619	3.8
70.06570	1.3
71.08633	13.0
79.05491	2.3
81.07066	6.9
83.08627	4.9
85.10194	6.4
89.06059	1.8
95.08638	9.9
97.10137	3.5
98.22692	2.8
98.98478	5.4
109.10181	5.6
134.98187	69.2
155.01035	3.5
176.00879	2.2
183.04155	9.4
313.27350	34.9
313.30875	2.5
314.28058	1.7
447.24841	100.0
448.25131	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	447.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42616	0.8
55.01890	0.9
55.16385	0.8
57.03423	1.1
61.07388	0.9
67.05502	1.9
69.03433	0.9
69.49966	4.5
70.06571	1.9
71.05004	1.5
79.05483	1.4
81.03421	1.3
81.07069	2.0
83.01329	1.2
89.60390	1.1
91.22586	0.8
93.07041	2.2
95.04976	1.2
95.08600	2.0
95.78874	0.9
97.17586	0.8
99.04462	8.8
100.04784	2.3
105.07027	1.8
107.08546	0.9
107.46052	0.9
134.09662	1.1
136.11208	1.9
146.09615	1.0
149.02405	1.3
155.03397	26.4
156.03717	9.0
158.09663	1.1
160.11095	1.0
161.86169	0.9
162.12747	5.6
164.10696	1.6
164.32802	1.0
171.32387	0.9
172.11273	1.5
173.11638	1.8
174.12776	5.6
175.13611	1.5
186.12788	1.7
187.13388	1.1
190.12314	3.4
200.10739	1.3
202.12299	1.4
207.55070	1.0
214.16026	1.4
215.16333	1.4
219.12285	1.0
256.13306	1.3
260.16452	8.2
261.16809	16.7
270.14816	0.9
272.16470	2.6
273.17255	2.1
274.14218	1.5
274.18033	1.3
282.15369	1.0
284.12579	1.0
288.15936	4.0
289.16736	6.1
316.15289	1.1
329.83389	0.9
342.17056	5.2
388.21271	2.7
398.19705	6.9
415.19550	5.5
416.20691	100.0
417.21173	6.2
430.32364	1.0
447.18222	1.3
447.27075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43788	0.9
53.80741	0.8
55.01865	2.6
55.05514	13.7
57.03442	13.6
57.07071	3.5
60.90390	0.8
65.03941	2.4
67.05508	48.5
69.07069	14.0
69.58651	1.1
69.58990	2.9
70.06593	4.4
71.04984	1.1
77.03927	1.2
79.05497	24.8
81.07059	46.6
83.04995	1.3
83.08627	6.9
85.06561	1.0
91.05482	12.6
93.06446	1.5
93.07048	30.2
95.04971	3.2
95.08020	1.9
95.08614	37.3
95.09222	2.0
96.08926	1.4
97.06513	1.5
97.10162	3.8
98.22726	1.4
98.98477	5.5
99.08106	1.4
102.77222	0.9
105.04471	1.0
105.07031	9.3
107.08591	16.7
109.06560	1.0
109.10169	12.8
111.08067	1.4
113.00024	70.3
117.07027	3.1
119.08601	10.2
121.10162	14.0
123.11702	5.6
126.05508	0.9
131.08578	5.4
133.10112	5.7
135.11722	9.4
136.99947	4.7
137.13261	2.2
145.10120	4.7
147.11688	5.6
149.13255	5.0
155.01060	4.9
159.11699	3.9
161.13266	3.9
163.14835	2.8
169.02617	17.4
169.03976	1.5
173.13287	5.1
175.14845	2.1
177.16263	1.1
178.71487	0.9
187.03659	8.1
187.14880	1.8
233.22647	1.0
237.22090	1.2
242.03568	0.9
243.21121	6.6
261.22189	13.5
277.21338	1.0
279.23135	1.0
311.25708	3.5
317.24902	4.5
335.25809	100.0
336.26242	4.9
447.25015	7.6
447.30380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05506	10.3
57.03443	10.6
57.26564	1.2
57.43082	1.2
65.03922	3.0
67.05502	45.6
69.07059	9.7
69.73492	3.9
70.06591	2.8
79.05048	2.1
79.05489	21.8
81.07056	47.7
83.08604	5.9
86.38940	1.3
91.05474	15.1
93.07048	29.1
95.04972	3.5
95.08606	36.1
97.06519	2.0
97.10165	2.3
105.04502	1.5
105.07031	9.3
107.08601	18.4
109.10155	17.1
111.08043	1.9
113.00014	89.8
117.06998	3.9
119.08582	8.1
121.10139	13.2
123.11691	5.4
129.07048	1.4
131.08517	6.6
133.10129	6.5
135.11678	10.2
137.13264	1.8
145.10106	5.5
147.11671	6.4
149.13269	6.3
159.11665	4.0
161.13254	3.3
163.14755	2.5
169.02623	29.9
173.13234	3.6
182.12814	1.6
187.03667	10.6
201.16461	1.7
233.22655	1.6
243.21092	8.2
248.52263	1.3
256.26276	1.4
261.22122	15.5
277.21579	1.4
317.24728	6.2
335.25781	100.0
336.26166	6.8
429.23599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3472
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.05504	0.8
57.07079	8.4
65.00307	0.5
67.05505	1.0
69.07072	0.5
69.13892	1.1
69.14297	1.8
70.06590	0.7
71.08636	4.3
71.61729	0.5
75.20869	0.5
79.05505	0.6
81.07056	1.2
85.10178	1.4
91.05508	0.6
93.07047	0.7
95.01334	1.1
95.08617	1.0
99.00819	10.1
99.04456	1.8
107.08527	0.6
112.45872	0.5
113.02377	1.6
117.01814	0.5
121.10128	0.5
125.06019	1.4
131.08621	0.6
134.98170	1.3
135.04436	1.0
135.08070	1.1
137.05994	0.8
141.97212	0.5
145.10191	0.6
145.70386	0.5
149.05984	1.2
151.07608	0.7
153.05496	2.8
155.07091	0.4
163.07571	2.0
177.09142	1.9
181.04962	13.7
183.06467	0.8
191.07080	1.8
191.10774	0.9
195.06528	27.3
196.06862	0.9
199.06139	0.6
205.08565	0.9
209.08087	13.6
222.41811	0.5
223.09654	15.0
224.10054	0.5
237.11217	10.9
251.12798	6.4
265.14325	4.4
271.16562	0.6
279.15982	2.0
293.17578	1.3
307.19037	1.3
313.27451	1.2
321.20493	1.3
335.22168	0.9
341.56210	0.5
363.25272	0.5
391.28699	0.8
447.24713	6.5
447.34698	100.0
448.25198	0.5
448.34970	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	448.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01861	1.1
55.05490	0.5
57.03425	1.6
59.04993	0.9
61.02927	1.9
64.29726	0.4
66.04728	0.6
69.03062	0.6
69.03424	6.9
69.73141	1.1
70.06581	1.9
71.04988	0.9
73.02915	2.3
76.84984	0.4
79.05497	0.5
81.03413	4.5
81.07036	0.5
83.01365	0.5
83.04991	0.6
84.08131	0.5
85.02903	22.1
87.04465	4.6
91.03950	1.3
91.05457	0.6
94.04196	1.8
97.02894	7.8
99.04443	1.7
101.02412	0.4
101.06024	1.0
109.02888	3.0
111.04494	0.4
115.03931	10.7
122.03632	4.4
127.03021	0.7
127.03910	8.5
133.04973	2.9
137.05971	100.0
138.06303	2.0
145.04951	14.1
160.11230	0.5
163.05995	1.0
177.51552	0.3
184.13318	0.5
187.06152	0.4
241.07120	0.4
244.13879	0.4
245.10135	0.9
248.50319	0.3
259.08127	2.3
277.09155	0.8
285.77356	0.4
374.08847	0.4
430.18546	0.7
448.18195	0.7
448.24152	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	448.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03451	0.7
60.04523	67.2
69.03422	2.6
69.31850	1.8
70.02955	0.8
70.06581	0.6
71.05004	0.5
72.08154	0.6
76.10559	0.4
79.02135	0.4
82.27914	0.4
82.61179	0.4
85.02900	5.9
88.03988	11.3
94.17629	0.4
97.02890	3.3
99.04461	0.7
104.07080	0.7
106.05025	100.0
107.05375	0.7
109.02854	0.7
127.03905	5.1
145.04945	4.2
163.06006	1.2
241.33971	0.4
351.59290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
51.43190	0.3
52.68920	0.3
53.03951	0.4
53.16801	0.3
54.44137	0.4
55.01880	0.4
57.03430	1.0
61.02922	1.3
67.39119	0.3
69.03429	4.9
69.46454	1.4
71.04997	0.5
73.02930	1.7
81.03415	3.2
85.02905	15.4
85.03416	0.9
87.04477	3.1
88.26364	0.3
91.03944	1.4
91.05454	0.4
91.89465	0.4
94.04180	2.2
94.25810	0.3
94.94489	0.4
97.02902	4.8
98.22688	0.8
99.04449	1.1
109.02887	2.4
115.03940	9.3
122.03640	5.2
127.03906	6.5
133.04971	2.9
133.10211	0.4
137.02357	1.3
137.05972	100.0
138.06342	2.7
145.04965	9.2
155.03374	0.6
163.05989	1.1
181.04980	0.4
217.98593	0.4
241.07072	0.4
251.05531	0.7
259.08139	2.4
277.09222	0.8
287.05487	0.5
395.09424	0.5
399.46490	0.5
448.19214	2.8
449.19858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01858	4.1
57.03426	7.8
57.52126	1.9
61.02917	9.6
69.03436	38.2
70.06583	3.8
70.53569	3.2
70.78218	1.9
71.04993	12.7
73.02900	7.7
74.06048	3.1
79.05489	2.2
81.03415	19.0
81.07055	2.8
83.01327	4.1
83.05004	3.2
85.02906	100.0
87.04469	19.4
89.03912	2.6
89.06033	59.2
91.03923	7.9
91.05470	4.7
97.02898	57.4
99.04458	11.7
103.03896	2.2
109.02888	17.4
109.06509	2.8
110.06030	4.1
111.04446	2.8
113.13612	1.9
115.03932	59.0
117.03355	8.4
120.08041	2.3
121.06507	3.1
123.53875	2.0
124.07578	8.1
125.05991	3.9
127.03924	48.6
133.04953	24.5
134.03693	2.0
135.06535	13.8
137.05995	39.0
138.06366	2.3
145.01826	3.2
145.02878	34.4
145.04956	69.7
147.04431	3.2
148.11191	2.4
149.05952	5.4
154.08629	3.4
160.11229	2.5
163.03909	2.3
163.06047	10.7
163.07248	2.0
165.05447	5.0
166.77472	1.8
172.09628	5.6
177.05478	82.5
178.05824	2.7
195.06543	20.1
213.46078	2.1
215.06860	2.7
215.08945	2.9
219.06560	2.9
221.13660	2.3
251.09195	14.3
259.08017	11.9
260.75824	2.1
261.09622	8.4
269.10181	22.6
274.14328	8.5
276.15948	26.8
277.09109	6.3
279.10745	2.4
287.05530	2.0
302.13843	7.4
303.14191	2.0
304.15460	10.7
404.20779	2.2
430.18506	21.0
448.19464	70.3
449.20004	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	448.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01871	6.0
55.05500	3.8
57.55475	2.3
59.04972	2.5
67.05479	4.1
68.05003	2.5
69.03131	3.0
69.03432	32.6
69.07059	3.5
69.17980	11.6
70.06571	2.9
70.42909	2.1
71.04980	5.5
76.30393	2.5
79.05492	13.3
81.03412	3.1
81.07059	25.8
83.01344	20.1
83.04941	4.2
84.04514	13.2
85.02873	9.6
91.05490	17.8
93.07007	7.0
93.68179	2.1
95.04954	6.8
95.08618	2.7
96.04485	3.1
97.02819	3.6
99.04446	14.6
105.06473	2.7
105.07040	33.6
105.48122	2.1
107.04939	3.7
107.08604	3.7
109.02807	2.5
109.06490	11.7
109.10111	2.9
110.06017	4.4
110.09654	5.5
111.04407	2.6
111.08087	2.9
115.03923	2.6
115.05438	7.6
117.07014	12.9
118.06531	4.3
119.04897	6.2
119.08543	8.5
120.08099	3.3
121.06445	7.7
123.08039	6.5
124.03960	4.4
124.07553	4.2
125.05973	3.3
127.03852	8.9
128.06236	29.9
129.07065	10.9
130.07739	9.6
131.08546	5.1
132.04396	2.4
133.06506	16.4
133.10106	7.5
134.05945	2.5
134.09641	3.8
135.08003	4.6
136.07613	2.1
137.05980	23.4
137.09579	3.7
138.05511	11.9
138.09152	25.6
139.03888	3.7
139.07568	14.4
141.06879	2.3
143.07590	2.7
143.08572	33.2
144.09254	4.3
145.06450	5.1
145.10124	27.9
146.05984	5.3
146.07166	2.9
147.07988	5.5
147.11630	5.1
148.07568	12.5
149.09531	3.7
150.05458	7.0
150.09084	4.0
151.07480	5.0
152.07062	6.5
153.06940	3.3
155.08466	5.2
157.05124	2.5
157.06430	3.0
158.07208	5.1
159.07983	4.8
160.08795	6.5
161.06032	10.4
161.09622	17.1
162.55756	2.3
163.07494	8.9
164.07024	3.5
165.09152	11.2
166.08638	23.6
167.06956	3.0
171.08035	33.2
172.08765	3.6
173.09637	22.6
174.09053	4.3
175.07483	6.5
175.11203	11.9
176.06889	2.6
176.08289	3.0
176.10603	2.8
177.09023	6.3
179.07042	3.7
182.08099	5.2
185.09421	2.8
187.11098	2.9
188.08253	7.8
188.10565	2.7
189.09113	18.1
191.06952	6.5
191.10675	3.3
191.14195	3.3
193.08563	6.3
194.08118	26.7
199.07579	12.3
200.10719	3.7
202.08482	2.6
203.10822	18.5
204.10210	7.1
205.12244	67.0
207.06451	8.1
207.10077	5.5
209.08005	3.6
212.09154	22.1
215.10547	3.4
216.10088	3.4
217.08607	97.1
218.08852	4.4
220.09683	13.1
222.11143	7.8
231.10173	64.3
232.10069	2.2
233.11746	28.3
247.09749	5.4
249.11224	100.0
250.11673	4.8
254.11682	5.2
262.10690	3.5
284.12921	2.5
287.05347	5.0
298.14368	2.9
310.14355	2.9
311.50400	2.2
314.13660	7.0
316.15433	13.4
324.12195	2.3
325.12726	3.2
332.14722	7.5
335.85977	2.5
338.13879	5.8
348.15829	2.9
356.14740	10.0
366.16876	3.0
368.18301	4.5
384.17838	11.2
386.19424	11.8
394.16455	12.2
402.19232	10.9
404.20557	27.8
412.17551	79.0
413.17694	6.6
430.18597	92.2
431.18539	7.0
448.19327	87.0
449.19632	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	448.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44712	1.7
55.01870	5.5
55.05511	4.4
67.05504	3.6
67.41230	1.9
69.03427	25.1
69.61949	7.5
79.05489	7.3
80.05015	2.1
81.03410	5.0
81.07064	16.8
83.01347	16.9
83.04966	5.1
84.04507	12.4
85.02894	8.1
85.06497	1.9
89.78545	1.9
91.05479	14.7
93.07030	7.9
94.86024	2.1
95.04952	3.8
95.08611	3.5
96.04494	2.3
97.02884	2.4
97.06525	5.3
99.04453	7.2
105.07047	19.6
107.04945	2.9
107.08604	6.7
109.02873	2.3
109.06503	11.2
110.06050	3.0
110.09651	5.6
111.08072	2.1
111.31338	1.9
113.05964	2.5
115.03941	3.8
115.05433	5.2
117.07030	11.0
119.04947	5.9
119.08565	7.5
120.08107	5.9
121.06500	8.0
123.08091	5.6
124.07594	2.8
125.05994	4.2
127.03910	8.7
128.06230	21.7
129.07021	5.7
130.07780	4.7
131.08568	6.2
133.06480	13.6
133.10132	5.5
134.06032	2.9
134.09578	3.1
135.08038	4.4
136.07587	2.1
136.11179	4.3
137.06010	18.8
138.05510	9.3
138.09158	21.1
139.03944	2.5
139.07591	11.0
143.08571	29.2
145.04942	3.3
145.06470	6.7
145.10118	22.6
146.06082	3.7
147.08026	5.2
147.11752	2.6
148.07599	11.4
149.05986	4.0
150.05437	4.4
150.09126	3.4
151.07538	2.0
152.07069	5.5
153.06918	2.1
153.09138	2.4
155.06050	2.9
155.08615	4.2
155.10675	2.3
158.07243	4.0
160.07561	2.4
160.08835	4.4
161.05974	3.5
161.09633	14.7
163.07571	6.2
163.11224	2.0
164.07076	3.0
165.09109	6.9
166.08638	19.3
167.06964	2.9
171.08054	28.7
172.08823	3.4
173.09621	15.1
174.06787	3.5
175.07570	7.0
175.11192	8.4
176.08308	3.3
177.09122	4.3
177.12791	2.6
179.07040	4.3
181.08640	4.5
182.08133	5.9
187.11145	4.8
188.08383	3.7
189.09085	14.7
191.07057	4.0
191.10686	2.6
193.08588	2.7
194.08131	17.7
195.08389	2.0
196.13301	4.1
198.09209	2.0
199.07559	10.0
200.10866	2.5
201.09109	5.1
202.08620	3.3
203.10823	14.9
204.10190	3.7
205.08725	2.4
205.12236	55.1
207.06514	6.9
207.10207	5.8
209.08008	3.2
212.09225	15.8
215.10675	3.6
217.08601	83.8
218.33624	2.0
219.10089	3.0
220.09691	12.3
222.11214	4.5
231.10175	50.3
233.11716	24.9
234.11345	2.2
244.09760	1.9
247.09703	5.7
249.11223	91.3
250.11671	2.7
254.11737	4.4
262.10629	1.9
284.13055	2.1
287.05569	5.8
298.14615	3.8
310.14236	2.8
314.13660	5.3
316.15436	12.6
332.14944	6.2
332.18665	2.7
338.13931	3.6
352.15375	2.3
356.14984	13.6
357.15283	2.1
366.65283	2.1
370.16574	2.2
372.17902	3.6
384.18008	8.3
386.19571	7.8
394.16586	16.7
395.17117	2.6
402.19019	6.6
404.20712	20.1
412.17545	67.7
413.18039	3.4
430.18491	100.0
431.18961	6.6
448.18887	62.2
449.19766	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.0
62.56426	1.7
67.05487	4.6
69.03434	33.4
70.68372	4.0
71.04967	5.0
71.46857	2.0
76.35335	1.9
77.03876	1.9
79.05450	7.8
81.03379	2.8
81.07056	21.9
83.01334	23.0
83.04943	2.9
84.04493	13.4
84.59060	1.9
85.02860	8.7
91.04947	2.0
91.05473	21.5
93.06985	6.8
94.06545	2.2
95.04939	5.0
95.08593	3.9
96.04443	2.2
97.02836	3.0
97.06477	2.3
99.04453	14.0
105.01796	2.3
105.03362	3.3
105.06368	2.8
105.07031	29.8
107.08541	2.6
108.08057	2.1
109.02859	3.3
109.06522	11.8
110.05980	2.1
110.09641	3.3
111.04442	2.0
113.05978	4.8
115.05375	5.7
117.06966	8.7
119.04888	6.9
119.08499	5.4
120.08042	4.4
121.02843	4.1
121.06443	8.5
121.10105	2.8
123.08023	4.6
123.11635	4.2
124.03934	3.9
124.07528	5.1
125.05904	2.4
127.03912	9.9
128.06223	22.8
129.07016	11.7
130.07813	11.1
131.04805	2.3
131.08508	5.1
132.04414	2.8
132.33435	1.8
133.06461	17.7
133.10088	5.6
134.05888	2.6
135.08003	5.3
137.05977	20.8
137.09534	3.5
138.03259	1.7
138.05550	11.9
138.06403	3.2
138.09152	25.8
139.03915	4.6
139.07558	10.4
141.06935	3.1
142.07732	2.5
143.07588	2.1
143.08559	28.8
144.09224	3.0
145.04877	3.3
145.06459	4.9
145.10124	25.8
146.05997	3.0
146.07201	3.4
146.10417	2.0
147.07982	4.4
147.11679	3.7
148.07542	13.2
149.05951	3.9
149.09509	1.9
150.05479	3.0
150.09099	3.7
151.07430	2.6
152.06964	6.1
153.06903	3.0
153.09084	1.9
155.08492	4.1
158.07187	4.2
159.07919	4.1
160.07538	2.5
160.08801	4.7
161.05971	9.6
161.09622	14.1
162.61411	1.8
163.07454	6.5
163.11145	2.4
164.06960	5.1
165.09128	10.6
166.08611	21.7
167.06955	2.5
171.08057	42.9
172.08688	6.4
173.09644	15.2
174.06639	3.2
174.08980	2.9
175.07458	6.8
175.11165	12.1
176.06920	2.5
176.08315	2.4
177.08992	5.2
177.12640	2.6
181.08600	2.7
182.08029	6.1
183.13692	4.4
187.11061	2.5
188.08249	3.4
189.09114	15.4
190.09891	1.9
191.06865	5.8
191.10550	2.3
192.10083	2.0
193.08488	5.7
194.08153	24.3
199.07523	19.1
200.07747	5.7
200.10724	2.6
201.09015	2.8
203.08949	2.4
203.10841	12.9
204.10054	3.6
205.12256	54.6
207.06403	5.9
207.09996	5.6
212.09114	20.1
213.09071	2.7
215.10567	4.0
217.08609	100.0
217.10721	5.3
218.08904	3.1
219.10002	4.5
220.09715	11.6
221.42589	2.1
222.11136	8.1
229.70139	1.9
231.10176	63.9
233.09662	2.1
233.11699	25.1
244.09538	3.3
247.09489	5.7
249.11215	95.2
250.11331	4.1
252.09920	3.5
254.11609	4.7
262.10703	2.7
273.05716	2.1
282.10956	2.7
282.84085	1.9
287.05264	4.0
298.14120	5.2
314.13565	5.3
316.15533	13.2
316.90665	2.0
317.68900	2.2
325.12988	2.7
332.14584	7.2
338.13864	3.0
356.14761	11.6
366.16690	4.6
370.16507	2.2
372.17746	3.6
384.17786	7.6
386.19638	10.9
394.16550	17.6
402.19092	10.9
404.20737	28.4
412.17566	76.0
413.17416	5.7
430.18558	86.0
431.18411	5.6
448.19131	79.1
449.19495	4.4
461.74487	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	448.1967
Annotation	Naamidine G
Peak:m/z	Relative Intensity
50.84618	0.9
55.01858	3.8
55.05508	1.8
57.03426	1.3
58.39711	0.9
64.60446	0.9
67.05485	2.4
68.05009	1.6
69.03419	3.8
70.06595	25.6
70.38401	1.9
71.04987	2.1
74.29135	0.7
79.05463	2.3
80.05026	1.4
81.03379	1.3
81.07050	2.5
82.06577	1.7
83.01331	3.6
83.04964	1.4
84.08118	0.9
85.02881	1.2
88.95336	0.7
91.05457	2.4
92.81035	0.8
93.07030	4.1
94.06535	1.1
95.04951	2.5
95.07329	0.9
95.08637	0.9
96.08132	2.7
97.02877	1.4
97.06535	1.9
99.04460	7.8
99.68588	0.8
103.05412	1.1
105.06991	2.0
106.06525	1.3
108.08127	6.9
109.06508	2.4
109.08881	2.0
110.09682	10.7
111.08070	1.7
112.07554	1.1
113.09688	0.9
119.76434	0.7
120.08102	6.1
121.06497	7.1
122.09647	5.6
123.10469	4.2
124.07586	1.1
125.05959	3.4
127.03902	3.3
129.05464	1.0
131.08531	1.1
132.08080	0.9
134.09654	4.3
135.10400	3.1
136.07530	1.5
136.11197	6.0
137.05988	1.4
138.09122	2.1
139.03928	1.5
139.07538	1.3
144.08063	1.0
146.09644	3.7
147.10469	1.6
148.07605	5.0
148.11179	1.9
149.05966	3.1
149.08252	1.1
150.09097	3.4
151.07465	1.1
152.06963	0.9
153.05455	1.0
155.03395	9.7
155.07007	1.2
158.09613	0.9
160.11172	1.5
162.09093	2.4
164.10753	1.1
165.05420	1.7
166.08611	3.9
167.07013	1.3
172.11206	2.4
174.09096	1.0
176.10623	1.6
178.08690	1.1
179.06897	0.8
179.10718	1.2
180.10147	5.2
181.04924	1.1
182.11768	6.2
183.06493	2.2
188.10675	1.2
188.79147	0.8
190.08722	0.8
190.12302	4.4
192.10254	0.9
192.28697	0.9
194.11795	1.2
200.10730	1.9
202.12239	1.8
208.13316	4.1
209.13951	1.1
218.11745	4.6
220.13370	5.9
222.11349	1.4
222.14961	1.7
222.17091	0.8
228.10275	0.9
236.12790	4.7
244.13431	0.9
246.11266	4.3
246.14908	5.2
247.09567	1.1
248.12781	1.8
249.11205	1.3
264.12201	2.6
264.15775	1.2
266.11075	0.8
266.13947	2.0
274.14359	4.3
276.15958	2.1
284.12900	1.2
288.15753	1.3
290.13809	2.0
292.12112	1.5
292.15421	31.3
293.15787	1.7
294.17004	9.1
302.13751	1.9
318.13403	3.1
320.14923	14.5
332.14749	1.0
372.17975	1.1
374.16162	4.4
386.19421	1.1
402.18948	2.4
416.20676	1.0
430.17984	4.0
448.19473	100.0
449.19827	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	448.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99802	0.6
53.03941	0.8
55.01883	1.0
55.05508	1.3
56.05034	0.8
56.54609	0.7
57.03429	0.8
59.04990	1.3
65.03944	1.0
67.05510	7.0
68.05022	6.7
69.03429	21.9
69.26760	1.1
69.27168	2.7
70.06593	26.8
71.04993	3.4
71.06918	2.1
79.05511	3.8
80.05009	2.1
81.07059	3.5
82.06561	1.6
83.01335	3.1
83.04972	1.3
83.07379	0.8
84.08130	2.4
85.02896	3.0
86.06079	0.8
91.05479	7.3
93.07044	4.8
94.02952	1.0
94.06541	1.5
95.04970	4.3
95.08605	2.9
96.04484	3.0
96.08136	2.7
97.02903	5.1
98.06041	3.0
99.04461	6.9
101.06046	1.4
105.07027	5.8
106.06554	2.0
107.04941	1.0
107.08609	2.1
108.04445	1.4
108.08086	3.4
109.06532	4.1
110.06031	2.6
110.09679	3.3
111.04439	1.7
111.08066	1.2
113.02348	1.0
114.05548	0.7
115.05473	1.0
116.07117	0.7
117.07050	2.6
118.06509	1.5
119.04924	1.0
119.08547	3.9
120.08115	7.5
121.06512	5.2
121.10075	0.7
122.06016	1.8
122.09676	5.1
123.04416	2.2
123.08065	2.3
124.07615	1.9
125.06043	0.7
126.05515	1.6
127.03893	4.2
127.05819	0.7
127.07650	0.7
128.06178	2.0
129.05452	1.8
129.07051	1.4
130.06526	1.0
131.08592	3.3
132.08078	2.1
132.58948	0.7
133.06497	3.1
133.08968	1.4
133.10112	2.4
134.06012	2.3
134.07268	0.7
134.09654	3.3
135.04456	1.0
135.08075	2.2
136.07590	4.8
137.05975	4.0
137.08330	1.0
137.09570	0.7
138.09151	6.4
139.03885	1.0
139.07555	1.3
141.05501	1.3
142.07726	1.0
143.08578	2.4
145.06470	2.3
145.10095	2.6
146.05974	0.9
146.09642	2.7
147.08025	1.5
147.10458	0.9
147.11577	0.7
148.07550	5.9
148.11185	0.9
149.05991	5.2
149.08449	0.6
149.09637	1.1
150.09135	9.6
151.03888	0.8
151.07535	2.7
151.11227	0.7
153.05421	1.4
155.03371	5.9
155.07053	4.2
156.08104	1.3
157.10101	1.6
158.09544	1.8
159.08047	2.7
159.10458	0.8
160.07555	1.6
160.08833	1.5
160.11198	4.4
161.09634	2.8
162.05524	2.3
162.09067	1.7
162.12816	0.7
163.03986	1.3
163.07547	1.5
163.09895	0.9
163.11153	1.1
164.07080	9.3
164.10703	2.8
165.05408	3.2
165.09160	2.2
166.08636	12.1
167.07037	3.2
168.10229	2.8
169.04968	1.1
170.09639	1.1
171.08060	1.2
172.11203	1.6
173.09605	3.6
173.11740	0.7
174.09117	3.5
174.12718	1.3
175.07504	1.0
175.11217	3.0
176.07100	4.5
176.10718	2.2
177.05521	0.7
178.08601	3.2
179.07065	2.6
179.10690	0.8
180.15657	0.7
181.08595	3.9
181.11482	0.7
182.08076	0.8
183.06503	5.2
184.09689	3.3
184.11235	4.8
186.09131	2.0
186.12732	1.1
187.07515	1.6
188.08403	1.1
188.10706	3.0
189.09131	3.8
190.12305	1.9
191.07036	1.5
191.10703	1.4
192.10162	1.5
193.08621	1.4
193.12228	2.5
194.08131	6.6
195.11349	0.9
196.09680	4.0
200.10655	1.5
201.09148	1.3
202.12375	3.3
203.10672	1.3
203.12918	0.8
204.07773	1.0
204.10242	2.9
205.08636	1.6
205.12289	1.0
206.11720	1.7
207.06541	1.5
207.09932	0.8
207.13919	0.7
208.09694	1.0
210.09033	1.3
212.10712	1.1
212.14336	2.3
214.08546	1.2
214.12430	1.1
216.10077	0.8
217.08595	1.8
218.11786	1.6
219.06366	0.8
219.10184	1.8
220.13339	2.9
221.08093	2.0
221.11687	1.1
224.10683	2.0
228.10188	1.7
228.13872	1.1
229.10941	1.0
230.15286	1.3
231.10107	1.7
233.08014	2.6
233.11736	2.5
234.08948	1.2
242.11641	0.9
243.63965	0.9
244.13965	1.1
244.64185	1.5
246.11429	0.9
247.09650	21.4
247.12177	1.1
248.10220	1.3
248.12631	1.2
249.11230	22.6
250.11530	1.5
256.13370	2.7
258.14957	0.9
260.16385	1.2
265.10721	2.9
274.14450	1.4
276.16083	1.0
284.12759	1.0
288.15826	0.8
292.15494	1.9
292.66623	1.2
293.16788	1.4
302.13846	3.0
304.15369	1.0
310.18045	2.5
314.13968	1.0
320.15057	1.2
326.13898	1.0
332.14911	1.0
342.16891	1.7
342.20679	2.9
356.18695	0.9
368.18518	1.1
374.22491	0.8
384.18057	5.4
386.19620	17.5
387.19809	1.1
394.16391	1.8
402.19104	2.4
404.20850	1.8
412.17532	12.7
416.20709	1.8
430.18573	86.7
431.18958	6.0
448.19562	100.0
449.20001	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	448.1967
Annotation	Naamidine G
Peak:m/z	Relative Intensity
55.01863	3.1
56.05027	1.1
67.05480	2.3
69.03427	5.5
69.41992	4.0
70.06578	3.9
71.04697	0.9
71.04996	9.3
79.05485	1.2
80.05005	2.2
81.07034	1.1
82.06584	2.1
83.01341	2.9
84.08118	2.1
91.05459	1.4
93.07027	2.1
94.06555	1.1
95.04960	1.6
97.06538	1.4
98.06030	2.3
98.23434	2.1
99.04438	6.4
105.07018	1.4
108.08121	1.3
109.06491	1.1
110.06017	1.7
110.09646	1.8
111.08130	1.0
112.07549	0.9
114.76024	0.8
120.08092	1.5
121.06505	2.1
122.09654	5.5
124.07559	1.2
125.05987	2.1
127.03918	1.2
132.08064	1.2
133.06477	1.2
134.09637	4.5
137.05945	0.9
138.09122	3.1
139.07510	1.7
146.09625	2.2
148.07549	2.1
148.11188	7.4
149.02316	4.0
149.05966	1.1
150.02661	2.8
150.09151	7.0
152.10649	1.0
155.03381	19.8
158.09662	1.6
160.11183	2.4
162.09122	2.0
164.06984	1.1
166.08626	4.1
167.07054	1.5
168.10194	1.5
172.11238	1.3
174.09120	1.5
176.10730	2.7
178.12213	1.2
180.10120	1.5
182.11830	1.2
183.06590	2.0
184.11197	1.8
186.09152	1.1
186.12793	1.0
188.10713	2.8
192.10126	1.2
193.04965	3.3
194.05357	2.7
196.09633	2.5
200.10692	1.5
206.11815	1.8
208.13239	1.4
212.10649	1.5
213.11415	1.4
214.08519	1.2
216.10138	1.1
218.11790	4.6
220.13297	1.5
221.08061	1.2
224.12776	1.4
226.12120	1.6
228.13786	6.6
232.13379	1.6
236.12772	1.4
237.07567	1.4
238.08058	1.1
238.12260	3.1
244.13364	2.7
246.11206	1.4
246.14885	3.2
247.09642	4.6
247.15530	2.8
248.12743	2.4
249.11105	1.1
254.11626	1.0
256.13321	3.5
258.14780	2.5
259.15689	3.1
260.13132	1.1
260.16391	4.7
264.12302	2.7
266.14102	1.5
270.14816	2.8
274.14285	5.7
276.15872	9.0
284.13052	1.3
286.14313	1.9
288.15958	5.8
292.12137	0.9
292.15424	3.1
294.17081	8.3
296.13074	1.6
300.12219	1.8
302.13770	2.7
302.17294	0.9
302.63190	1.0
304.15311	4.8
309.34183	1.0
314.13748	3.5
320.14621	1.6
326.17435	1.2
328.15387	2.5
332.14932	23.9
333.15091	1.4
354.16870	1.8
358.16431	1.2
372.14041	0.9
372.18146	5.5
374.15405	0.9
384.18036	1.6
386.09421	1.7
386.19693	8.6
387.20428	1.1
400.17349	1.5
402.13791	1.9
402.19083	29.6
403.19473	2.0
414.19168	11.6
415.19672	1.5
416.16772	2.1
430.12195	1.5
430.18073	7.3
431.19287	7.5
448.19498	100.0
449.19684	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	448.1969
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
53.37693	0.6
53.85060	0.7
55.01858	1.7
55.05496	0.9
55.79272	0.6
58.14926	0.6
59.82428	0.7
61.32994	0.6
67.05491	2.1
69.03426	2.3
70.06592	1.0
71.04995	7.5
71.42972	0.7
79.05515	0.9
80.05025	0.8
81.07022	1.7
83.00873	1.0
83.01340	13.3
85.02901	0.9
85.06519	0.8
91.05460	2.0
91.90199	0.6
93.07031	0.9
95.04955	1.4
95.08600	1.9
97.06565	0.7
98.23518	1.6
99.04456	7.4
105.07034	1.0
106.06541	1.0
109.06515	1.1
115.03936	6.2
117.07037	0.8
119.08567	0.9
120.08094	1.4
122.09660	0.7
127.03899	2.5
130.06477	1.2
131.07384	0.8
132.08073	3.3
133.08865	1.3
134.09636	2.6
135.10468	0.7
137.05965	1.1
143.03394	3.1
143.08514	0.8
144.08073	4.4
145.08888	1.3
146.09659	12.7
146.10718	1.4
147.10413	1.4
148.07507	1.1
148.11179	0.8
150.09187	1.3
155.07037	2.9
156.08168	0.8
157.08932	3.3
157.10025	0.9
158.09651	11.8
159.10449	5.9
159.11649	1.1
160.07596	1.9
160.11156	3.5
162.09157	2.0
165.05487	1.3
167.07014	0.8
170.09627	2.2
171.10400	1.9
172.11211	8.8
173.11937	2.7
174.09128	2.6
174.12817	4.4
176.10655	1.8
178.08653	1.1
183.06523	3.9
184.11224	6.1
185.11984	7.7
186.12778	21.1
187.13301	1.6
188.10712	2.4
189.28159	0.7
192.01767	0.7
195.10345	1.1
196.11205	1.7
197.12109	0.9
198.12759	2.2
199.09979	1.1
200.10664	3.3
201.11371	1.0
202.12260	10.2
208.13254	0.7
210.12738	0.9
212.10681	2.5
212.14360	2.7
213.11450	2.3
213.15068	1.9
214.12349	6.1
214.15865	12.6
218.11761	11.0
222.12807	1.7
224.14394	1.2
226.12257	1.4
227.13226	0.9
230.11745	4.7
231.12389	4.1
232.13397	5.5
236.14333	1.0
238.12292	1.8
240.13815	5.7
241.14507	1.7
242.15399	3.9
244.13321	1.3
248.12831	2.9
252.13849	2.5
253.14429	0.9
254.11719	1.5
258.14923	7.8
259.15582	1.5
260.16418	5.5
261.17062	0.7
263.13007	0.7
268.13315	2.5
269.13962	1.2
270.14807	2.2
272.12668	1.2
276.16373	0.8
278.15231	0.9
279.16092	0.9
280.09900	0.7
280.13104	1.7
280.17084	1.1
282.15018	1.1
284.12628	0.8
286.14310	3.9
287.05521	3.2
287.15012	0.9
290.15338	1.8
293.13956	1.0
294.14984	1.3
296.12668	1.0
304.15442	4.8
306.14948	1.0
307.15509	1.6
308.16357	2.3
318.26404	0.7
322.17825	1.1
324.12466	0.9
325.16620	1.0
326.17477	2.0
332.14954	2.3
336.15939	2.1
340.18985	2.5
350.17398	2.2
352.15543	1.3
353.16071	1.3
354.16873	1.3
366.16782	1.2
368.18671	6.4
371.17276	1.4
384.18027	18.7
385.18442	1.2
386.19565	10.7
394.16422	1.1
402.19180	4.6
412.17603	3.7
430.18604	28.6
431.18753	2.4
448.19562	100.0
449.19983	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	448.1968
Annotation	Naamidine G
Peak:m/z	Relative Intensity
53.93972	0.4
56.53624	0.5
58.92672	0.5
64.91542	0.5
67.05497	0.7
67.13747	0.4
69.03431	3.1
69.44827	0.4
71.04981	1.4
77.03883	0.5
79.05496	1.3
80.05022	1.0
81.03409	0.6
82.06577	0.5
85.02895	1.5
91.05451	2.3
91.68703	0.5
93.07021	1.1
94.04179	0.6
95.04977	3.1
96.08141	0.6
98.22684	0.8
99.04460	2.0
103.40077	0.5
105.07063	0.7
106.06554	1.2
107.08607	0.8
108.05732	1.2
108.08132	0.7
109.06521	0.9
119.04931	1.4
119.07322	1.3
119.08595	0.6
120.08112	1.6
121.06478	0.9
121.08948	0.7
122.03625	1.1
122.09652	1.4
123.08036	2.1
127.03902	1.1
132.08116	2.7
133.08870	15.6
134.06021	0.6
134.09647	1.1
135.10419	2.1
136.05157	0.8
136.11186	1.0
137.05981	16.4
138.09138	1.4
138.89774	0.5
146.09619	0.7
147.07979	0.6
148.07553	1.3
149.08350	1.1
150.09134	1.7
151.07567	1.1
151.13516	0.5
155.03389	1.1
156.10201	3.6
160.11230	1.6
162.09161	0.7
165.05487	1.3
167.07127	0.5
167.09467	0.7
171.06485	0.5
172.11189	0.7
174.09142	1.0
176.10640	0.8
179.07043	3.8
180.10205	2.8
183.06509	1.2
184.09657	1.6
186.09155	0.7
188.10660	1.0
202.12245	0.7
204.10216	1.5
205.10985	9.0
206.11780	8.3
207.06546	2.6
218.11708	0.8
231.10274	0.9
248.12704	0.8
249.11279	0.6
256.13464	0.6
272.80008	0.5
275.12805	1.0
278.17529	0.7
284.12775	0.9
286.10556	0.7
286.14511	0.5
287.05319	0.6
312.12250	1.1
313.12875	0.7
314.10001	0.4
314.13953	1.0
327.14984	0.7
328.15375	2.2
330.16815	0.5
342.16925	2.8
354.13327	2.1
356.14816	2.3
371.17227	0.7
384.17935	1.6
386.19595	0.9
397.15256	4.0
402.19186	0.9
403.12552	0.5
412.17529	14.3
413.18033	1.5
430.18610	4.7
448.19586	100.0
449.19925	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	448.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76386	0.2
55.01861	0.5
57.03420	0.4
61.02915	0.9
67.05482	0.8
68.05021	0.4
68.99790	0.4
69.03427	2.5
71.04980	0.8
71.46651	0.3
73.02850	0.3
77.03902	0.4
79.05463	0.9
80.04997	0.6
81.03394	0.6
81.07044	0.9
81.67395	0.3
83.01328	1.2
83.04979	0.4
85.02896	1.5
91.05489	2.9
93.07021	0.9
94.06556	0.5
94.99487	0.3
95.04962	0.7
95.08592	0.3
96.04471	0.5
97.02895	0.9
97.06543	0.5
98.06080	0.3
99.04443	0.9
105.07027	1.1
106.06557	0.7
107.04950	0.4
107.08585	0.6
108.05715	0.7
108.08134	0.8
109.02895	0.5
109.06527	0.6
109.08910	0.6
115.03922	0.6
115.96658	0.3
117.07015	0.5
118.06548	0.6
119.04949	1.0
119.07343	1.0
119.08549	0.6
120.08086	1.6
121.02826	0.3
121.06524	0.8
121.08884	0.7
122.09680	1.3
123.04497	0.4
123.08083	2.0
123.10487	0.4
127.03912	1.3
129.07005	0.4
130.06520	0.6
132.08105	1.7
133.08876	14.6
134.09656	1.4
135.10445	2.1
136.05203	1.1
136.07585	0.5
136.11205	1.8
137.05960	1.0
141.05516	0.4
143.08528	0.4
145.04970	0.8
145.06525	0.5
146.09642	0.4
147.08029	0.3
147.10426	0.6
148.07573	0.9
149.08339	0.6
150.09138	1.0
150.12796	0.5
151.07547	1.3
151.13535	0.5
153.01804	0.5
155.03334	0.6
155.07051	0.5
155.08502	0.3
158.09662	0.3
159.08083	0.4
160.07545	0.4
160.11201	1.4
161.12022	0.3
162.09138	0.8
162.12837	0.3
163.07542	0.5
165.05484	1.1
165.09146	0.6
167.07013	0.8
170.09718	0.4
172.11201	0.4
174.09148	0.6
175.07541	0.4
176.10780	0.8
178.12244	0.5
179.07039	3.1
179.13046	0.7
180.10222	2.4
181.08592	0.4
183.06511	1.1
186.09167	0.5
188.10692	1.6
189.09216	0.3
194.78513	0.3
195.06636	0.4
204.10223	0.9
205.10971	6.8
206.11758	6.8
207.06511	3.6
207.11967	0.3
218.11726	0.7
220.13385	0.3
223.12009	0.4
230.11871	0.6
231.10184	0.5
232.09753	0.4
232.13297	0.5
233.08043	0.4
248.12892	0.8
249.11221	0.6
256.13284	0.4
261.11426	0.3
263.09143	0.4
264.12329	1.0
273.11194	0.4
274.14163	0.4
275.12671	0.6
284.12863	0.7
287.05499	15.7
298.10776	0.6
298.14380	0.3
298.18167	0.3
300.12442	0.3
301.10913	0.3
310.10791	0.5
312.12253	1.2
313.13022	0.4
314.13803	0.6
324.12344	0.4
326.13943	0.5
327.14621	0.5
328.15503	1.4
342.13492	0.5
342.17047	2.6
343.12646	0.4
343.17215	0.3
354.13373	2.0
356.14844	1.7
359.67255	0.3
370.16531	0.3
371.17398	0.4
384.17984	0.8
386.19586	1.1
394.16455	0.4
397.15283	3.9
398.15958	0.5
402.19037	0.5
406.36963	0.3
412.17542	10.5
413.17819	0.9
430.18600	5.3
431.19171	0.4
448.19623	100.0
449.19968	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	448.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
57.03440	5.1
57.07078	3.1
62.59364	2.5
67.05516	11.7
68.05824	2.8
69.03390	2.8
69.07070	4.9
69.15540	4.0
69.15945	13.9
70.06614	2.3
71.04973	3.4
79.05505	12.1
81.03414	17.0
81.07052	10.9
82.03754	3.9
83.01335	6.3
83.04990	5.8
83.08650	5.2
85.02934	2.3
85.06522	3.7
90.17976	1.9
91.05482	15.8
92.05804	2.5
93.07064	11.2
95.04993	11.2
95.08612	5.0
97.10169	5.2
99.04432	5.8
105.07026	9.8
107.04960	2.8
107.08585	7.6
109.06525	3.6
109.10140	4.1
115.05426	4.6
117.07009	4.6
119.04938	4.6
119.08583	14.3
120.08908	2.3
121.06533	3.3
121.10139	3.7
122.06822	2.6
127.03897	4.5
128.06252	5.0
129.06989	4.4
131.07579	2.7
131.08566	20.5
132.08055	3.2
133.06525	2.6
135.08026	6.9
135.11674	6.3
136.12077	2.9
141.06993	4.8
143.08479	3.2
145.06480	7.2
145.10101	3.5
147.11748	3.0
148.07549	4.7
158.07274	2.2
159.08054	23.9
160.08888	4.3
163.07550	9.0
163.11168	8.7
171.08130	3.0
173.09624	19.3
175.11189	19.2
176.07181	3.9
187.07571	17.8
191.07050	56.2
191.10663	15.1
193.12296	3.9
194.12578	5.0
198.09154	3.6
201.09114	5.2
203.10727	4.3
205.08479	3.4
208.09660	8.8
210.09113	2.5
214.08498	2.5
216.06792	2.4
219.10210	17.1
226.08635	4.6
230.08249	2.8
233.08154	3.3
236.09218	5.6
242.11676	3.2
247.09677	23.4
257.08179	2.7
258.07336	3.0
258.11359	6.0
268.09802	3.5
270.11237	3.3
271.09714	2.8
286.10681	8.2
287.05405	2.5
288.12207	5.3
314.10208	100.0
315.10571	5.9
318.12720	2.9
332.11276	29.0
346.12769	30.7
364.13910	35.6
371.09171	2.7
448.13321	8.0
448.19034	5.4
448.23624	2.7
448.27994	24.6
449.13828	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	448.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69711	1.1
55.01877	3.3
55.05515	1.8
57.03446	1.7
58.92556	1.2
59.04976	1.6
67.05507	5.4
69.03429	16.6
69.07081	6.3
70.06618	1.8
71.05003	4.7
73.02932	1.9
74.06075	1.6
79.05498	5.1
80.05031	2.7
80.11984	1.2
81.03422	4.2
81.07047	7.7
83.01356	1.7
83.04981	7.6
84.08139	1.4
85.02895	6.8
85.06565	2.5
91.05501	6.3
93.07040	8.1
93.39960	1.4
94.06593	2.9
95.04976	5.7
95.07351	2.9
95.08611	3.8
97.02898	3.8
97.06529	12.4
97.08244	1.3
99.04470	4.2
105.07011	13.2
106.06580	1.3
107.08615	6.8
108.08132	2.3
109.02886	1.5
109.06506	6.3
109.10146	1.3
110.09693	1.7
111.04467	1.6
115.03928	3.8
117.06993	3.1
119.04964	1.6
119.08592	5.9
121.06528	5.0
121.10130	3.0
122.09675	6.1
123.08087	2.3
123.10425	2.1
125.05996	11.1
127.03963	4.1
127.07562	3.1
128.06219	2.5
131.08600	6.1
132.08032	1.6
133.10167	2.4
134.09647	10.6
135.08081	2.0
136.11223	2.5
137.05972	7.3
137.09598	1.8
138.09171	3.1
142.12325	1.6
143.07036	13.3
143.08554	3.5
145.05000	2.3
145.06461	1.8
145.10120	14.9
146.09631	4.1
147.11681	1.6
148.07542	1.7
149.06006	3.0
150.09192	3.0
151.07552	3.1
153.08989	1.4
155.07106	1.5
157.10095	1.7
159.08084	2.2
159.11690	6.8
160.11266	2.1
162.09161	1.5
162.12828	2.4
163.11194	8.6
165.05652	1.5
167.07042	3.1
173.09641	9.4
174.12859	1.3
177.12758	2.3
179.07071	1.4
181.08702	2.4
183.06636	2.5
187.11198	10.2
190.12401	1.8
191.10675	7.7
200.10846	2.3
205.12234	9.9
207.06563	2.0
208.13264	1.4
209.11719	6.1
215.10677	9.5
222.14861	9.8
223.13304	1.8
233.11749	17.7
242.15639	1.3
247.09735	9.1
249.11246	9.5
251.12791	14.1
252.93703	1.4
257.08279	2.5
269.13953	3.9
270.14993	2.7
284.12897	6.7
287.05441	18.5
328.15536	4.8
338.23810	1.2
342.17206	4.0
353.20663	1.3
372.17957	9.9
377.15952	4.9
388.21344	2.3
395.16803	2.9
398.19843	2.8
413.17920	8.6
415.19940	2.1
415.88855	1.5
416.20941	8.4
430.22461	20.1
431.22757	1.7
448.23425	100.0
449.23694	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	448.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
57.98229	0.4
59.04992	0.4
65.03925	0.5
67.05503	2.8
69.03061	0.8
69.03429	12.2
70.02766	1.0
71.04987	0.6
79.05495	1.0
80.05009	3.0
82.06554	0.4
82.69492	0.5
83.01340	1.0
91.05460	1.2
93.07036	0.7
94.06584	2.6
95.04941	0.4
95.07344	2.1
95.08624	0.5
96.08124	2.2
99.58549	0.4
103.66412	0.4
105.07024	1.5
106.06539	1.2
108.08102	2.9
109.06520	0.9
109.08880	0.6
110.09685	2.5
117.07008	0.4
119.08572	0.4
120.08109	1.4
121.06532	0.7
121.08843	0.4
122.00623	0.4
122.09656	4.3
123.08061	0.7
123.10475	2.0
125.06026	1.4
127.03973	0.5
128.06224	0.7
131.08554	0.5
132.08110	1.5
133.08861	0.4
133.10162	0.6
134.09660	10.2
135.08104	0.7
135.10408	0.6
136.11218	1.7
137.06009	0.7
138.09161	2.9
143.08534	0.4
145.06517	0.5
146.09642	4.8
147.10442	0.5
148.07545	2.9
149.05966	1.9
150.09108	3.0
151.03912	0.9
151.07475	0.4
155.07045	1.3
158.09645	0.6
159.08113	0.5
159.10394	0.5
160.08902	0.5
160.11179	2.5
161.09662	0.7
161.11876	0.4
162.09167	2.2
163.03851	0.5
163.07574	0.7
164.10716	0.5
164.14348	0.4
165.05490	1.8
165.09090	0.5
167.07028	0.8
168.10190	0.9
172.11232	0.7
173.09601	0.4
174.12802	0.7
175.07532	0.5
176.10635	0.6
179.07040	0.7
180.10223	0.5
181.08661	1.0
182.11801	1.5
183.06473	2.1
185.20334	0.4
186.09143	0.5
186.12798	0.8
188.10741	1.1
189.09102	0.9
190.12280	0.5
194.11781	0.6
196.13319	0.8
200.10712	2.3
202.12372	0.5
207.06273	0.4
208.13309	1.2
214.14221	0.5
215.06950	0.4
216.13850	1.5
217.08780	0.7
219.10109	0.6
220.13377	1.3
222.14893	9.4
223.15297	0.4
228.13934	0.6
235.09740	0.7
235.41917	0.5
240.13838	0.5
242.15430	1.2
247.09662	11.1
247.15494	0.5
249.11238	10.1
249.13612	0.3
256.13425	0.7
270.14978	0.8
272.16467	0.5
274.18161	0.9
284.12866	6.0
284.16022	0.7
302.13742	0.8
314.13904	0.7
316.15387	1.8
316.19119	0.8
327.14600	0.6
328.15497	3.4
328.19012	0.8
330.16809	0.5
340.15265	0.5
342.16919	4.8
344.18387	0.9
358.16467	1.2
372.18033	8.6
373.18179	0.8
398.19534	1.7
401.18185	0.4
415.19867	2.4
416.20670	9.0
430.22247	19.8
431.22525	1.2
448.23294	100.0
449.23663	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	448.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.08922	0.4
59.04999	0.5
67.05518	1.8
69.03432	9.5
70.02688	0.9
70.03033	0.5
71.04942	0.4
74.10513	0.3
74.71519	0.3
79.05476	0.5
80.05014	1.7
82.06560	0.7
83.01334	0.9
91.05496	1.0
93.07040	0.6
94.06557	2.8
95.04967	0.5
95.07362	1.3
96.08125	1.2
97.08919	0.5
98.22734	0.5
99.04478	0.5
103.47430	0.4
105.07033	1.1
106.06516	0.9
108.08120	2.8
109.06522	1.1
109.08904	0.7
110.09669	2.1
117.07018	0.4
118.06560	0.5
120.08132	1.7
121.06502	0.8
121.08866	0.6
122.09672	3.5
123.08086	0.7
123.10477	1.9
124.07638	0.4
125.06001	1.5
127.03936	0.7
131.08586	0.5
132.08083	1.1
133.06497	0.5
133.08830	0.6
134.09654	9.6
134.10605	0.7
135.08133	0.5
135.10425	0.4
136.11185	2.2
137.05995	0.7
138.09166	2.6
140.97852	0.4
143.08516	0.7
144.07996	0.5
145.06509	0.7
146.09630	4.0
148.07567	3.1
149.06004	0.6
150.09158	2.7
151.03894	0.5
155.06934	0.9
158.09645	0.6
160.11223	1.5
162.09125	1.7
163.67017	0.5
165.05516	1.2
167.07085	0.9
168.10173	0.9
172.11235	0.9
176.10709	0.5
179.07050	0.9
180.10207	0.7
181.08607	1.3
182.11800	1.1
183.06519	1.5
186.09209	0.5
186.12775	0.6
188.10713	0.6
189.09108	0.5
190.12292	0.8
193.05034	0.5
193.08780	0.5
196.13306	0.8
200.10608	2.5
206.05763	0.4
207.06502	1.0
208.13405	1.2
214.14305	0.8
216.13908	1.1
218.11745	0.6
220.13374	0.7
222.14886	10.0
227.95213	0.4
228.10254	0.5
228.13878	0.7
231.10161	0.6
235.09683	0.6
240.13753	0.5
242.15456	1.5
246.15186	0.5
246.84334	0.4
247.09738	2.8
249.11208	7.4
249.13528	0.4
250.11986	0.4
256.13425	0.5
258.11386	0.6
268.13333	0.4
270.14935	0.7
274.17923	0.8
284.12805	6.3
301.13153	0.6
302.13821	1.5
312.15771	0.5
316.15451	0.9
316.19000	0.8
327.14795	0.8
328.15436	3.7
328.18906	0.5
340.15393	1.3
342.16855	2.4
344.18765	0.8
358.16550	1.2
370.20135	0.9
372.18030	12.2
373.18402	1.0
391.01593	0.4
398.19681	1.9
400.17679	0.5
415.20050	2.6
416.20688	7.5
430.22229	17.7
431.22473	1.4
448.23288	100.0
449.23642	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	448.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
56.05043	1.0
59.04996	0.6
70.06589	0.7
71.05009	0.9
79.05493	0.7
80.05027	0.9
81.07056	0.7
83.01340	0.9
91.05470	0.9
93.07056	1.1
94.06577	0.9
96.08119	0.6
99.04448	2.2
105.07060	1.0
106.06583	1.1
108.08145	0.6
117.06944	0.6
118.06524	0.6
119.08607	0.5
120.08109	1.8
122.09668	0.6
125.05981	1.8
131.08527	0.5
132.08058	1.1
134.09642	3.1
135.51160	0.5
136.11188	2.1
139.46326	0.5
140.85889	0.5
143.08589	0.7
144.08110	0.7
146.09651	0.8
148.11234	1.3
149.11989	0.8
150.09161	0.7
158.09633	1.3
159.08156	0.6
160.11246	1.5
162.12784	11.5
163.09920	0.5
164.10706	3.1
167.17110	0.5
171.08057	0.6
172.11186	0.9
173.12041	0.9
174.12769	7.8
175.13571	1.8
176.10718	5.3
184.11221	1.2
186.12798	3.1
187.13666	0.7
188.10683	2.6
188.14322	1.7
190.12280	10.6
198.12776	0.8
199.13608	0.6
200.10727	4.8
200.14381	1.2
201.11427	0.7
202.12263	2.3
204.13916	1.0
212.10660	0.5
214.12305	2.5
214.15945	0.9
216.13837	1.9
218.11913	0.6
228.13771	0.7
230.11865	0.7
232.13467	0.9
238.12170	0.7
240.13795	0.9
242.15428	4.0
244.13397	1.1
246.14954	1.1
252.13947	1.2
254.15416	0.8
256.13397	1.1
258.14893	1.3
260.16336	0.7
266.11618	0.6
266.15356	0.7
268.13254	0.8
270.14923	4.5
272.16544	1.1
273.17245	1.1
274.14371	1.2
274.17966	0.7
282.14825	0.9
284.12888	0.9
284.16483	0.7
286.14334	2.0
286.18112	1.7
287.12793	0.7
288.15851	3.8
289.16699	3.4
290.17410	0.7
296.12881	0.6
300.15970	1.1
302.13873	2.4
302.17538	4.7
303.18155	0.7
304.19110	1.4
310.14304	1.8
316.15472	2.5
320.18570	0.8
321.19278	2.4
328.78427	0.5
332.18585	1.4
342.16989	25.5
343.17383	0.6
354.20755	0.6
370.20151	1.5
372.06732	0.5
372.21814	0.9
385.77426	0.6
388.21198	1.4
398.14877	0.8
398.19485	4.3
416.20660	52.0
417.21063	3.8
420.23743	1.4
430.22229	24.0
431.22519	1.7
448.23288	100.0
449.23651	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	448.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
55.05502	0.5
55.29034	0.3
56.03762	0.4
56.05026	1.1
57.03456	0.4
57.33220	0.4
59.05006	0.7
65.03935	0.5
67.05504	1.2
69.03436	1.5
69.49389	0.7
69.49764	0.9
70.06586	4.3
71.04989	1.1
71.06917	0.5
75.79024	0.3
79.05501	0.9
80.05016	0.9
81.07057	0.6
82.06586	0.5
83.01347	1.3
83.04957	0.4
84.08170	0.6
88.09557	0.3
91.05501	1.4
93.07040	1.5
94.06565	1.1
95.04993	0.5
95.08649	0.7
96.08138	0.6
97.06487	0.8
98.23447	0.8
99.04459	2.7
105.07051	1.2
106.06543	0.9
108.08160	0.7
109.06500	0.4
109.10160	0.3
110.09663	0.5
111.08054	0.5
117.07059	1.0
119.08553	0.9
120.08127	1.8
121.06494	0.4
122.09677	1.2
125.05961	2.3
126.05534	0.4
127.03963	0.4
129.05598	0.4
129.07001	0.4
131.08606	0.5
132.08075	1.1
134.09639	3.8
136.07608	0.7
136.11226	3.2
137.05977	0.4
137.09705	0.4
138.09154	0.4
141.05522	0.4
141.06969	0.5
144.08086	0.7
146.09648	1.1
147.08061	0.4
148.11229	1.7
149.12024	0.5
150.09143	1.0
151.07573	0.5
155.08594	0.7
158.09660	1.7
159.08032	0.6
160.07521	0.5
160.11195	1.7
161.11967	0.5
162.09113	0.6
162.12776	11.9
163.09927	0.7
163.13310	0.5
164.10690	3.1
165.11520	0.4
167.08568	0.4
171.11801	0.4
172.11191	2.7
173.09647	0.6
174.12769	8.6
175.13530	1.5
176.10703	6.1
182.11859	0.4
184.11221	1.4
186.09151	0.6
186.12784	3.3
187.13466	0.5
188.10681	2.3
188.14320	1.5
189.11354	0.5
190.12253	9.2
191.13075	0.8
197.09610	0.5
198.09052	0.7
198.12819	0.6
199.13565	0.8
200.10669	5.7
200.14348	1.1
201.09151	0.4
201.11426	1.1
202.12277	1.6
204.13843	1.1
205.08588	0.4
210.12640	0.4
212.10664	0.6
212.14368	0.7
214.12259	2.9
215.10820	0.5
215.12877	0.7
216.13863	3.1
218.11797	1.1
222.12738	0.7
226.12215	0.9
226.16093	0.6
227.13135	0.6
228.10083	0.9
228.13873	1.1
230.11723	0.9
230.15422	0.6
232.13252	0.5
234.14856	0.7
238.12357	0.9
240.13869	1.4
242.15425	4.6
244.13371	2.1
244.16908	0.7
246.14931	0.9
249.11194	0.6
252.13936	1.0
254.11925	0.4
254.15236	0.8
256.13391	1.5
258.14859	1.2
260.12726	0.5
260.16422	1.0
266.11954	0.8
266.15347	1.1
267.12457	0.5
268.13361	0.7
270.14880	4.8
272.16446	1.6
273.17130	0.9
274.14340	1.1
274.18030	1.6
276.16116	0.6
281.07956	0.5
282.08429	0.5
282.14755	0.8
284.12906	1.3
284.16489	0.6
286.14413	1.6
286.17953	1.3
287.12704	0.5
287.18756	0.4
288.15970	4.3
289.16669	3.5
290.13913	0.5
290.17212	0.6
296.10297	1.0
296.13116	0.7
296.15927	0.5
297.10800	2.1
298.17987	0.7
300.16006	1.0
302.13855	2.2
302.17496	4.4
303.18213	1.4
304.19025	1.1
310.14612	1.7
314.17245	0.5
316.15396	3.7
317.15866	0.4
318.16809	0.6
320.15115	0.5
320.18585	1.4
321.19501	2.8
328.19214	0.4
332.14746	0.9
332.18503	1.4
340.19101	0.7
342.16977	30.4
343.17255	1.6
348.16022	0.7
356.18524	0.6
370.20032	2.1
372.21582	1.1
376.24918	0.4
380.18536	0.5
384.18219	0.5
386.19534	0.5
388.21201	2.4
398.19675	5.4
402.18924	0.8
404.24387	0.5
416.20667	56.2
417.20920	3.6
418.13455	0.7
420.23795	1.6
430.22433	25.2
431.22528	1.3
448.23471	100.0
449.23877	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	448.233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45097	0.4
55.01867	1.3
59.04996	0.5
67.05494	2.2
69.03434	8.5
69.09988	2.9
69.10305	0.9
71.04987	0.7
79.05491	1.2
80.05019	2.1
80.19289	0.4
81.03436	1.3
81.07066	1.1
82.06586	0.6
83.01348	1.0
83.04947	0.4
83.73314	0.5
84.08140	0.6
85.02908	1.1
91.05499	1.1
93.07017	0.6
94.06557	3.0
95.04960	0.9
95.07374	1.7
96.08144	2.0
105.07050	1.5
106.06556	0.8
107.04951	0.6
107.08578	0.5
108.07507	0.5
108.08100	2.8
109.06522	1.1
109.08933	0.9
110.09705	2.0
118.06601	0.5
119.08562	0.7
120.08125	1.4
122.09679	4.0
123.08089	1.0
123.10475	2.3
125.06016	1.3
127.03960	1.0
129.06972	0.7
132.08119	0.8
133.08916	0.9
134.09647	8.3
134.10606	0.8
135.08046	0.5
135.10399	0.6
136.11212	2.4
137.05983	0.9
138.09143	2.2
142.12366	0.7
143.08644	0.6
145.10167	0.6
146.09641	3.8
148.07568	2.9
149.06093	1.1
150.09178	2.5
153.01871	1.0
155.07062	0.9
159.08171	0.6
160.11252	1.8
162.09166	2.0
162.12823	0.9
164.14366	0.5
165.05507	1.5
167.07063	0.7
168.10231	0.6
171.08151	0.6
172.11227	1.0
179.07034	0.8
180.10312	1.0
181.08615	1.0
182.11790	0.8
183.06541	1.5
186.09010	0.5
186.12784	1.0
188.10783	0.6
190.12279	0.9
196.13332	1.3
198.09251	0.6
200.10779	1.8
203.10786	0.7
207.06544	0.6
208.13434	1.2
214.12352	1.0
216.13937	0.9
217.08627	0.8
220.13348	1.0
222.14871	8.0
228.13904	0.8
231.10121	0.6
236.20035	0.5
240.13976	1.3
242.15457	1.2
244.13332	0.6
247.09711	1.7
247.15570	0.6
248.16519	0.5
249.11234	4.3
249.13542	0.7
256.13306	0.7
270.14926	0.8
274.18073	0.6
284.12833	5.6
287.05493	10.1
302.13910	0.6
314.13910	0.5
316.15567	0.9
316.19089	0.8
328.15503	2.7
328.19119	0.7
342.16986	2.9
344.18417	1.2
358.16455	0.8
372.18112	8.5
398.19766	1.0
405.88058	0.5
415.19955	2.0
416.20758	6.8
430.22324	16.0
431.22797	1.7
448.23361	100.0
449.23752	5.5
460.20822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
57.07077	5.9
58.06599	2.7
62.08523	0.6
64.97822	0.5
69.16549	1.8
69.16966	1.8
70.06592	18.6
71.08639	2.3
72.66708	0.7
75.62353	0.5
85.10178	0.6
87.03259	0.5
88.07626	18.9
91.05479	1.5
99.25679	0.5
102.09184	13.9
104.02600	5.4
105.07032	0.7
116.11600	0.6
119.04974	0.9
121.06496	0.8
132.02058	5.9
135.08055	0.8
136.01573	2.2
137.05927	0.6
147.04405	21.6
147.05434	1.1
148.05205	6.8
149.02385	1.4
175.03905	43.2
176.04594	2.2
180.04140	3.9
191.07072	2.4
212.23744	0.7
219.06517	72.5
220.06865	1.7
244.14218	0.7
256.26343	41.9
257.26727	1.0
293.16647	0.7
294.28162	0.6
322.92841	0.6
405.23605	3.4
416.20355	0.7
448.30582	100.0
449.19635	0.7
449.24994	2.2
449.30878	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	448.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91185	2.8
55.05508	12.5
57.03431	10.8
57.07074	15.8
61.02920	3.4
67.05505	17.2
69.07065	22.1
70.06593	9.3
71.04972	3.6
71.08618	10.9
79.05491	7.1
81.06618	3.6
81.07053	22.5
83.04975	3.1
83.08624	14.5
85.10173	6.9
88.07619	10.1
91.05503	4.9
93.07060	9.3
95.08604	32.6
95.29012	2.9
97.06503	3.3
97.10171	12.5
102.06757	2.5
102.09171	7.0
107.08600	8.2
109.10152	12.4
111.04449	4.5
111.08073	3.6
111.11721	3.0
117.05487	15.7
119.24035	3.2
121.10135	6.4
123.11728	7.8
125.09663	4.7
135.11652	6.3
147.04395	29.5
147.11710	3.6
148.05183	2.9
149.13223	6.1
175.03880	8.9
191.07021	25.7
219.06499	21.2
233.22629	3.8
246.89397	3.5
252.36705	2.7
256.26321	13.7
284.29535	14.7
293.24728	8.8
315.25320	8.1
321.24295	9.7
339.24915	3.0
369.30002	14.0
395.27896	53.2
396.28473	4.3
409.35413	3.0
413.28961	100.0
448.19083	5.1
448.29660	13.8
448.34195	32.2
449.25015	10.7
449.34528	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	449.1061
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.34635	0.9
79.55788	1.0
94.92999	0.9
98.97573	1.5
176.58047	0.9
224.85487	1.0
232.07260	1.2
274.91202	1.5
343.11502	1.1
449.10486	100.0
450.10666	4.6
450.16949	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1065
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
56.96564	1.5
69.03423	1.1
69.74841	3.0
70.06600	1.1
71.04987	5.1
79.77428	0.9
84.13593	0.8
85.02900	0.9
97.02895	1.3
98.97588	12.9
110.97599	1.7
115.03947	1.4
116.98643	3.5
123.04422	1.4
126.62163	1.0
127.03905	1.0
128.98645	1.2
134.09645	4.8
137.06009	1.0
143.00157	1.8
145.04947	1.1
149.54274	0.7
155.08209	2.0
158.99641	8.8
161.01218	1.5
162.09064	1.0
162.12767	3.8
163.13573	2.8
167.07030	7.4
173.01198	1.1
173.09225	2.1
177.00645	5.0
185.01215	0.9
208.13293	1.3
219.01755	9.1
237.02815	7.1
245.03326	0.9
261.02649	0.9
267.75375	0.8
279.03946	2.4
287.05206	1.9
305.05591	1.0
306.17081	1.8
335.06561	5.5
348.42435	1.0
353.07489	5.6
376.00815	1.0
396.26581	0.9
431.09644	1.1
432.20251	4.0
449.10526	100.0
449.16040	7.2
450.10910	5.6
450.21338	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
52.47564	0.1
61.02912	0.3
67.01862	0.5
67.04327	0.1
68.99808	0.3
69.03426	0.2
69.11250	0.6
69.16129	0.1
81.03424	0.1
84.75759	0.1
85.02899	0.4
89.03929	0.1
91.03959	0.2
97.02898	0.2
107.04956	0.1
109.02790	0.1
111.00799	0.1
117.03403	0.2
121.02914	0.1
127.03923	0.1
129.01833	0.1
133.08879	0.3
135.04401	1.6
135.05339	0.1
137.02342	0.5
153.01820	4.9
161.02321	0.5
165.01718	0.1
171.02887	0.2
171.04324	0.1
179.03424	0.3
184.07333	0.2
201.05482	0.1
206.11343	0.1
207.06470	0.1
213.05470	0.2
241.04930	0.7
245.04469	0.1
259.06073	0.2
263.05356	0.1
269.04517	0.5
287.05481	100.0
288.05817	4.5
413.17773	0.4
431.19083	0.1
448.19495	0.3
449.10742	0.8
449.19910	2.9
450.20529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03954	0.3
55.01864	0.3
55.99611	0.1
57.03423	0.6
57.33394	0.1
61.02927	6.9
61.45076	0.1
65.03943	0.7
67.05497	0.5
68.99784	1.6
69.03428	1.4
70.06599	0.1
71.01350	0.4
71.04989	0.4
73.02921	1.6
77.03939	0.2
78.04733	0.2
79.05515	1.2
81.03427	0.5
81.07043	0.2
82.04238	0.1
85.02907	5.9
87.27394	0.1
89.03914	0.3
91.03957	3.2
91.05479	2.4
93.03403	0.3
93.07043	0.2
95.04984	1.1
97.02892	2.9
99.04448	0.3
103.05474	0.2
105.03397	1.0
105.04515	0.3
105.06983	0.2
106.04197	0.2
107.04954	1.0
109.02885	0.7
109.06512	0.5
109.10170	0.1
110.03664	0.2
111.00792	0.8
111.04437	0.5
115.03947	0.4
117.03403	0.5
117.07080	0.1
118.04218	0.2
119.04964	0.9
120.05710	0.4
121.02859	3.6
121.06505	0.5
122.03610	0.2
123.04416	0.7
124.05215	0.2
125.06004	0.7
127.03899	1.0
129.07040	0.2
131.04883	0.2
133.02863	2.1
133.06480	0.9
134.03625	0.4
135.04404	1.9
137.02361	1.1
137.05977	1.7
139.03891	0.3
139.07542	0.6
140.04715	0.4
145.02921	0.2
145.04974	0.5
145.06448	0.3
146.03526	0.2
147.04422	1.2
148.05219	0.2
149.05969	0.5
151.03903	0.3
151.07562	0.6
152.04657	0.2
153.01828	4.2
153.05469	1.6
154.06236	0.3
155.07034	0.5
155.08577	0.4
157.06479	0.5
161.06004	0.4
162.03096	0.3
163.03905	2.7
165.01846	1.8
165.05493	2.8
166.06270	0.6
167.07004	0.9
171.04402	0.2
173.09618	0.3
175.03909	0.2
176.04701	0.1
177.05473	0.7
179.07037	0.4
180.04190	0.6
180.07841	1.8
181.04958	6.3
182.05647	0.2
183.02882	1.0
185.05949	0.4
193.05006	1.1
195.06540	1.2
197.06010	0.1
197.08125	0.2
199.03949	0.2
202.06444	0.1
207.06496	1.0
208.03708	0.2
208.07288	4.4
209.08214	0.2
213.05455	1.3
216.45421	0.1
219.06630	0.1
223.06015	9.5
224.06676	0.2
225.05347	0.2
225.07581	3.7
226.08350	4.0
227.08591	0.2
231.06360	0.7
241.04890	0.8
242.05522	0.1
243.06528	0.1
258.05237	1.2
259.06027	0.5
263.92758	0.2
269.04395	0.2
287.05496	100.0
288.02640	0.3
288.05826	4.7
437.05252	0.2
449.30579	0.3
450.20938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03941	0.6
54.13080	0.3
55.01868	0.7
57.03423	1.0
61.02922	1.9
68.99470	0.3
68.99800	0.9
69.03428	3.8
70.06589	0.6
70.92080	0.2
71.05003	0.6
73.02909	0.6
79.05502	0.4
81.03413	1.9
85.02905	9.8
86.09706	0.7
87.04503	0.4
89.76314	0.3
91.03934	0.6
95.04990	0.3
95.08610	0.3
97.02900	3.3
99.04460	0.6
105.03366	0.5
107.04961	0.4
109.02894	1.5
111.00808	0.7
115.03931	0.5
120.08923	0.3
121.02864	2.9
121.03739	0.4
127.03907	2.4
127.87090	0.3
133.02844	0.6
137.02310	1.3
145.04936	1.7
146.06009	0.6
147.04372	0.6
153.01822	4.7
157.06487	0.5
158.06097	0.3
163.30307	0.2
165.01845	1.8
170.06042	0.4
183.02870	0.8
183.06718	0.4
184.07495	0.5
185.05977	0.6
186.05583	0.5
186.09242	0.4
208.07425	0.4
210.61636	0.3
212.06967	0.4
213.05452	1.6
231.06543	0.5
236.07097	0.3
241.04893	0.6
254.08047	0.8
258.05194	1.0
258.07608	0.6
259.06009	0.4
272.09259	0.3
282.07642	0.6
287.05493	100.0
288.05835	4.6
293.45963	0.3
294.30930	0.3
300.08728	1.4
404.13406	0.7
449.19437	0.4
450.14810	0.3
450.20575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.91825	0.6
61.02926	5.7
65.03933	1.8
67.05494	1.2
68.99788	3.7
69.03422	1.4
69.43415	2.2
71.01335	1.4
73.02912	2.0
79.05474	2.4
81.07050	1.1
82.04221	0.6
85.02901	7.2
91.03979	3.7
91.05479	6.9
93.03378	1.1
95.04974	3.0
97.02900	2.9
103.05540	0.5
105.03391	1.7
107.04951	2.3
109.06518	1.6
111.04469	0.6
117.03353	1.6
117.07051	0.9
119.04945	1.6
119.08559	1.0
120.02045	0.6
121.02867	4.2
121.06505	1.3
123.04402	1.4
125.05976	2.0
127.03918	0.7
130.89026	0.5
133.02835	5.2
133.06506	2.7
134.03636	1.8
135.04396	4.6
137.05962	4.7
139.03838	0.7
139.07545	2.1
145.05096	0.7
145.06470	0.6
147.04434	3.1
148.05171	0.9
149.05978	1.6
151.03949	0.7
151.07484	1.4
153.01874	3.8
153.05479	4.9
154.06255	1.1
155.07031	2.6
157.06516	0.7
161.06007	0.6
163.03909	6.9
165.01840	2.2
165.05472	8.1
166.06267	1.4
167.07031	1.6
176.04684	0.6
177.05487	2.5
179.06995	1.0
180.04199	2.8
180.07823	4.7
181.04958	20.6
183.02885	1.2
193.04942	2.4
195.06548	4.7
197.08073	0.8
206.71362	0.5
207.06459	3.3
208.03699	1.1
208.07280	14.5
209.07831	0.7
213.05550	1.0
223.06004	31.6
224.06381	1.3
225.07558	12.3
226.08348	11.0
241.05003	0.8
258.05185	0.7
287.05493	100.0
288.05872	4.4
355.54144	0.6
389.11127	0.6
418.07935	0.6
450.20801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71062	1.2
54.24965	1.5
55.05516	11.0
57.03445	5.8
57.07080	1.9
60.38182	1.3
67.05508	28.5
69.07058	9.4
69.93829	4.1
71.04996	4.9
71.08266	3.0
71.08631	31.5
71.15342	1.8
79.05492	28.5
81.03433	3.4
81.07057	29.9
83.01360	1.4
83.04990	5.7
83.08633	5.8
85.06545	1.6
91.05479	21.4
91.11069	1.6
93.07048	34.8
93.07607	3.0
95.04964	6.7
95.08608	21.7
97.06554	5.8
97.10168	2.7
98.98465	12.1
99.08090	23.5
105.04535	2.3
105.07039	23.6
107.04963	5.2
107.08596	17.5
109.06492	2.2
109.10155	10.2
111.08103	1.9
113.09673	2.8
117.07046	2.3
119.08570	10.3
121.06488	1.6
121.10157	16.6
123.08125	1.6
123.11728	1.5
126.86905	1.6
131.08568	3.5
133.10080	8.3
135.08083	3.7
135.11676	16.7
137.05989	4.6
141.09106	2.2
145.10162	4.1
147.11684	3.8
149.13287	6.4
151.11174	13.9
155.01079	2.9
159.11723	2.7
161.13257	9.2
162.12798	1.7
163.11205	3.5
165.12825	1.7
167.06998	8.8
171.11688	2.3
173.02107	1.5
175.14861	2.4
177.12799	2.5
179.14311	57.1
205.85060	1.6
221.15274	1.7
235.16786	2.4
241.19429	1.9
259.20459	3.6
277.21625	43.4
277.24509	3.0
278.21912	1.6
328.84338	1.7
333.14780	1.9
344.18457	2.7
351.25284	100.0
352.25598	4.8
359.16483	1.8
395.98260	1.5
417.16446	2.6
421.84299	1.7
431.22165	2.4
449.19333	7.5
450.21051	7.8
450.25711	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	449.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28262	2.5
55.01866	2.4
55.05515	18.3
57.03223	2.1
57.03442	22.8
57.07085	12.2
67.05505	41.1
69.07072	19.1
71.04987	2.9
71.08619	9.2
79.05510	13.3
81.07063	42.4
83.04977	4.1
83.08611	7.7
85.06538	3.8
85.10193	4.9
86.82649	2.5
91.05477	8.9
93.07038	8.6
95.04974	4.6
95.08606	42.4
97.06542	2.7
97.10145	6.2
98.98466	18.7
99.08087	2.3
105.07027	6.1
107.08585	10.3
109.06520	3.3
109.10145	19.4
111.08047	2.5
113.00015	68.9
119.08593	7.4
121.10166	7.4
123.11689	5.1
130.73804	2.3
133.10144	4.8
135.11705	2.9
136.99988	23.4
137.13216	3.2
147.11618	2.9
155.01041	21.4
169.02623	28.5
187.03674	4.4
193.02592	3.7
203.85703	2.1
211.03600	3.6
237.76135	2.2
263.23691	5.1
267.52457	2.1
287.05402	8.6
295.04483	2.2
313.27429	16.0
337.27353	100.0
337.31360	5.4
338.27539	3.4
373.61929	2.3
449.26526	28.3
450.21265	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05515	14.0
57.03439	8.2
57.07070	2.7
65.03935	1.0
65.75089	0.7
67.05506	30.7
69.07069	18.0
71.05025	0.7
79.05495	9.0
81.07056	32.7
83.08623	8.5
85.10188	1.0
91.05478	8.1
93.07041	6.7
95.08605	21.5
95.09213	1.1
97.06541	2.0
97.10181	4.0
105.07047	3.0
107.08580	4.8
109.10150	10.3
113.00017	49.6
116.92760	0.9
118.85326	0.8
119.08605	2.8
121.10123	3.8
123.11732	3.3
131.23035	0.8
133.10147	2.7
135.11720	1.4
137.13252	1.7
147.11693	1.7
149.13248	1.5
161.13274	1.8
163.14857	1.3
165.16342	1.0
169.02621	27.7
175.14819	1.6
179.27792	0.9
186.24028	0.8
187.03638	4.8
245.22733	3.0
263.23752	5.0
312.40228	0.7
337.27362	100.0
338.27780	5.4
439.80426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3628
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
51.67794	1.0
55.05511	19.4
57.07075	9.6
60.31066	0.9
65.69122	1.0
67.05505	20.7
68.99792	4.7
69.07066	21.8
69.46285	4.6
71.08633	5.1
79.05492	4.2
81.07063	22.3
83.08617	14.3
85.10206	1.8
91.05481	1.4
93.07041	3.3
95.08606	24.8
97.02868	1.0
97.06501	1.1
97.10175	10.5
98.23434	2.5
98.98476	3.6
107.08598	2.3
109.10152	11.6
111.00807	3.0
111.08072	1.5
111.11723	1.7
121.10183	1.7
123.11699	3.0
123.32487	1.2
126.03116	1.5
127.03931	2.5
127.87727	1.0
135.11772	2.3
137.13300	1.7
139.03918	3.2
155.00989	2.3
183.04169	3.3
246.76350	1.4
281.60840	1.4
282.82666	1.0
307.75385	1.1
449.36273	100.0
450.21060	1.8
450.36523	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	450.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
62.06081	1.0
67.04269	0.4
67.05502	0.8
68.05028	0.5
69.03427	2.0
69.24308	0.9
69.24697	1.0
70.06585	1.1
71.04994	1.0
74.01454	0.4
79.05499	0.9
80.05021	2.8
81.03456	0.5
81.07031	0.9
82.06580	1.5
83.01351	1.3
83.04990	0.6
84.08146	3.2
85.02903	1.1
85.06567	0.8
91.05495	1.3
93.07045	0.7
94.06042	0.4
94.06554	2.1
95.04961	1.1
95.08604	0.7
96.08120	1.3
97.02905	1.1
97.06501	0.7
99.04459	1.0
104.10777	0.4
104.46349	0.4
105.07056	1.1
106.06557	0.7
107.08597	0.9
108.08132	2.2
109.06503	1.1
109.08894	0.6
111.08099	1.6
114.28707	0.3
115.03928	0.8
119.08610	0.9
120.08091	1.1
121.06516	0.7
121.22412	0.4
122.09690	2.5
123.08023	0.6
124.07621	0.7
124.11243	0.5
125.05998	2.3
125.09624	0.8
126.09176	0.9
127.03941	1.2
129.05457	2.4
129.07019	0.6
131.08575	1.2
132.08070	0.6
134.09680	2.1
135.08063	0.4
136.11238	0.7
136.62131	0.4
137.05988	0.8
138.09142	0.4
139.07472	0.8
148.07593	0.5
149.05974	0.8
150.09149	4.7
151.03845	0.6
151.07603	0.9
152.10681	2.1
153.05521	0.8
153.09116	0.8
154.12299	0.8
155.07076	0.8
157.05031	0.7
158.09669	0.7
159.08083	1.1
160.11198	1.0
161.05963	0.5
161.09729	0.5
162.12758	0.6
164.10646	0.8
165.05519	1.1
167.07076	0.9
168.10190	3.1
169.08687	0.6
176.10721	0.7
178.12328	0.7
180.10204	2.5
181.08682	0.5
182.11774	6.1
182.49890	0.4
183.06569	0.8
186.11357	0.5
187.07564	0.8
188.10689	0.8
189.09192	0.5
191.07036	0.5
197.08052	1.9
198.09608	0.4
198.11186	2.1
199.14993	0.5
200.12810	7.4
205.08580	0.5
206.11720	2.0
207.06561	0.5
208.13380	0.5
214.12306	0.5
218.11819	0.5
219.10170	0.8
232.13272	0.6
233.08180	0.6
234.14854	3.3
238.12364	0.4
242.08049	0.5
247.09732	2.1
250.14427	0.9
252.16010	0.8
253.07162	1.4
256.13376	0.4
259.09827	0.4
265.10706	0.6
268.15424	2.4
270.14810	0.4
271.08221	1.2
276.16028	1.3
294.16995	6.0
304.15540	0.9
306.17184	0.8
318.13278	0.5
320.14929	0.5
322.16473	2.5
324.88495	0.4
334.16858	0.5
341.16470	0.4
352.17578	1.5
358.16592	0.9
404.20706	1.3
422.21848	0.6
432.20151	6.2
450.21219	100.0
451.15762	0.6
451.21625	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	450.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
61.67338	0.3
67.05518	0.6
69.03427	2.3
69.03712	0.2
69.62260	1.1
70.06608	0.8
70.96211	0.3
71.04987	0.8
79.05501	0.9
80.05018	1.5
81.07062	0.7
83.01370	0.5
83.04996	0.9
84.08137	0.5
85.02919	1.0
85.06557	2.8
86.06080	1.2
89.06043	0.4
91.05007	0.3
91.05472	1.3
93.07081	0.9
94.06566	0.7
95.04967	1.4
95.08566	0.5
96.08128	0.9
97.02899	1.0
97.06546	0.5
99.04473	0.7
101.50837	0.3
105.07061	1.2
106.06585	0.3
107.04982	0.3
107.07365	0.3
107.08607	0.6
108.08132	0.3
109.06541	0.5
110.09685	0.6
111.04461	0.7
111.08073	1.7
112.07672	0.5
119.08595	0.5
120.08110	1.5
120.08890	0.3
121.02900	0.3
121.06485	0.5
122.09661	2.4
123.04428	0.6
123.08062	0.8
124.07633	0.5
125.06014	0.8
127.03951	0.8
128.06261	0.3
129.05530	0.4
129.07042	0.4
131.08577	0.5
133.06552	0.3
133.08908	0.4
133.10121	0.6
134.09708	1.1
135.06599	0.3
135.08080	0.3
135.10460	0.4
136.11244	0.5
137.05972	6.7
138.09163	0.6
139.07487	0.4
142.02626	1.0
143.08600	0.4
145.05022	0.6
145.06651	0.3
145.10162	0.4
146.09656	0.4
147.08110	0.3
147.11761	0.3
148.07594	0.3
149.06061	0.6
149.09653	0.5
150.09134	2.3
150.12738	0.3
151.07597	0.5
152.04652	0.3
152.10713	1.3
153.05478	0.5
155.03392	0.4
156.10291	0.6
157.04970	5.3
157.06183	0.5
159.08098	0.6
160.11288	1.2
161.09624	0.4
161.12003	0.3
162.09254	0.3
167.07040	12.7
168.10205	1.9
171.06577	0.7
175.14859	0.8
178.12250	2.4
181.05112	0.3
182.11807	0.9
184.09727	0.7
186.09122	0.4
187.07632	1.0
188.14409	0.3
189.09079	0.5
195.09996	0.3
197.08121	0.8
199.06064	0.6
205.08603	0.3
206.11868	1.2
206.15312	1.4
216.13861	0.5
217.15947	0.4
219.10249	0.9
221.11829	0.4
234.14880	19.9
235.15186	0.7
235.17099	0.7
237.11082	0.5
247.09671	1.3
250.10773	0.4
252.15950	5.3
262.14627	0.6
265.10748	1.6
276.15973	0.5
304.15530	0.4
306.16943	0.4
322.16315	0.3
323.74149	0.3
352.17538	1.6
376.17767	0.8
404.20822	0.6
432.20395	2.1
450.21317	100.0
451.15768	0.4
451.21652	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	450.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83797	0.9
52.51873	0.9
57.07064	3.2
57.35532	0.8
66.03842	0.7
67.05482	1.8
69.03427	2.3
69.77993	2.6
69.78327	0.8
71.04988	2.5
79.05490	1.7
80.55894	0.8
81.07062	1.4
83.01345	1.9
85.06539	1.7
91.05488	2.5
93.07047	2.4
95.04976	1.0
95.08604	1.7
97.06551	1.7
98.95935	0.9
99.04462	1.4
101.56100	0.8
103.86485	0.9
105.07042	2.4
106.06563	1.3
107.04954	0.9
107.08568	1.2
109.06545	1.1
111.08096	4.7
112.07590	1.2
117.07001	1.4
119.08584	1.7
121.06477	1.0
121.10117	1.2
123.08086	1.1
125.06023	0.9
127.03947	4.1
129.06967	1.3
131.08502	0.8
132.08090	2.1
133.06483	1.1
133.10130	1.3
135.04355	0.9
136.07542	1.4
137.05945	1.8
137.06975	1.0
143.08545	1.0
144.08109	1.2
145.10056	1.6
147.07957	1.0
148.07542	1.2
149.09787	1.0
150.09108	2.3
151.03978	1.0
151.07558	2.1
151.18098	0.9
152.07045	3.1
153.05428	1.2
155.03378	0.9
155.07063	1.3
159.08031	1.3
160.07542	1.6
161.05998	1.2
161.09624	1.6
162.09181	1.6
164.10666	1.5
167.07050	1.5
169.08765	0.9
173.09622	1.0
178.08601	6.9
179.06993	1.4
180.10181	0.9
183.06546	1.1
184.09715	1.3
184.11302	1.2
186.09169	1.5
189.09119	2.0
190.08533	1.5
191.06892	1.0
197.08156	6.2
200.07074	1.2
200.10771	2.2
203.17969	0.9
206.08101	1.0
210.11237	8.2
214.08571	1.6
214.12247	1.3
216.10188	1.0
218.08064	1.4
219.10233	1.5
221.11690	1.9
228.10172	2.6
229.10912	1.8
229.35216	0.9
230.11836	0.9
232.09668	1.3
232.13295	3.1
232.80757	1.1
238.10719	3.5
244.09930	1.1
244.13293	3.1
246.11230	1.8
249.11162	1.2
256.09677	1.8
257.10364	1.3
260.09256	3.6
260.12875	7.4
262.14398	1.4
269.54883	0.9
270.11212	1.4
272.12729	2.6
274.10788	2.1
288.12305	19.4
290.13916	2.9
292.11786	4.9
298.10641	1.6
306.13361	6.8
316.11810	15.4
320.15021	4.1
334.12839	45.9
335.13165	2.4
348.14447	11.8
366.15482	100.0
367.15680	4.1
410.19376	1.6
450.20883	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	450.2124
Annotation	Latisoline
Peak:m/z	Relative Intensity
54.78871	0.3
55.01868	0.6
65.08292	0.3
69.03432	1.1
71.04990	10.8
75.65611	0.3
77.35265	0.2
80.05016	0.4
83.01340	1.0
94.06564	0.5
95.04937	1.4
96.08079	0.3
99.04433	0.4
104.84116	0.2
106.06571	0.7
108.08135	0.6
110.09700	0.7
111.08092	1.9
115.03968	0.6
118.06547	0.3
120.08092	1.2
121.08894	0.3
122.09679	1.2
123.08038	0.4
124.11240	0.5
125.05988	0.5
132.08067	0.3
134.09653	11.5
135.10498	0.5
136.11223	0.6
139.07556	0.3
146.06024	0.8
146.09662	0.6
148.11246	1.1
150.09140	0.6
152.10765	0.5
152.14330	0.5
155.07043	1.6
160.07526	0.4
160.11256	0.6
161.12036	0.3
162.09119	1.7
162.12776	10.6
163.13568	7.9
164.10760	0.5
167.07072	0.8
168.10165	0.3
174.12747	0.7
180.10184	0.4
180.13817	0.7
182.11775	0.9
188.10703	0.3
188.14328	0.8
190.12279	2.4
192.95238	0.3
197.08192	0.4
200.71936	0.3
202.12285	0.3
202.15904	0.4
203.03448	0.3
208.13322	4.1
216.10338	0.4
218.11829	1.0
220.13351	0.4
232.13383	1.6
232.15355	0.3
233.14108	3.5
234.11266	0.7
234.14781	2.1
234.96866	0.3
235.11977	0.5
236.12941	0.3
236.16595	0.4
246.14874	2.2
260.16449	3.6
261.17212	1.9
262.18011	2.9
274.14581	0.3
278.17529	2.0
286.14542	0.4
288.12793	0.3
288.16000	0.8
289.16711	0.4
290.17618	0.5
302.13855	0.5
306.16940	3.0
318.16962	0.7
344.14975	0.3
348.14395	0.3
362.16064	2.4
380.17145	1.4
432.20163	9.4
432.25858	0.5
433.20441	0.7
450.21228	100.0
451.21533	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	450.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83797	0.9
52.51873	0.9
57.07064	3.2
57.35532	0.8
66.03842	0.7
67.05482	1.8
69.03427	2.3
69.77993	2.6
69.78327	0.8
71.04988	2.5
79.05490	1.7
80.55894	0.8
81.07062	1.4
83.01345	1.9
85.06539	1.7
91.05488	2.5
93.07047	2.4
95.04976	1.0
95.08604	1.7
97.06551	1.7
98.95935	0.9
99.04462	1.4
101.56100	0.8
103.86485	0.9
105.07042	2.4
106.06563	1.3
107.04954	0.9
107.08568	1.2
109.06545	1.1
111.08096	4.7
112.07590	1.2
117.07001	1.4
119.08584	1.7
121.06477	1.0
121.10117	1.2
123.08086	1.1
125.06023	0.9
127.03947	4.1
129.06967	1.3
131.08502	0.8
132.08090	2.1
133.06483	1.1
133.10130	1.3
135.04355	0.9
136.07542	1.4
137.05945	1.8
137.06975	1.0
143.08545	1.0
144.08109	1.2
145.10056	1.6
147.07957	1.0
148.07542	1.2
149.09787	1.0
150.09108	2.3
151.03978	1.0
151.07558	2.1
151.18098	0.9
152.07045	3.1
153.05428	1.2
155.03378	0.9
155.07063	1.3
159.08031	1.3
160.07542	1.6
161.05998	1.2
161.09624	1.6
162.09181	1.6
164.10666	1.5
167.07050	1.5
169.08765	0.9
173.09622	1.0
178.08601	6.9
179.06993	1.4
180.10181	0.9
183.06546	1.1
184.09715	1.3
184.11302	1.2
186.09169	1.5
189.09119	2.0
190.08533	1.5
191.06892	1.0
197.08156	6.2
200.07074	1.2
200.10771	2.2
203.17969	0.9
206.08101	1.0
210.11237	8.2
214.08571	1.6
214.12247	1.3
216.10188	1.0
218.08064	1.4
219.10233	1.5
221.11690	1.9
228.10172	2.6
229.10912	1.8
229.35216	0.9
230.11836	0.9
232.09668	1.3
232.13295	3.1
232.80757	1.1
238.10719	3.5
244.09930	1.1
244.13293	3.1
246.11230	1.8
249.11162	1.2
256.09677	1.8
257.10364	1.3
260.09256	3.6
260.12875	7.4
262.14398	1.4
269.54883	0.9
270.11212	1.4
272.12729	2.6
274.10788	2.1
288.12305	19.4
290.13916	2.9
292.11786	4.9
298.10641	1.6
306.13361	6.8
316.11810	15.4
320.15021	4.1
334.12839	45.9
335.13165	2.4
348.14447	11.8
366.15482	100.0
367.15680	4.1
410.19376	1.6
450.20883	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	450.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	1.0
55.05432	1.1
57.03337	0.6
58.06542	0.7
61.02832	0.9
61.76532	0.6
67.05401	1.9
67.05716	0.8
69.03320	4.5
69.78445	2.1
70.06482	5.7
70.06895	1.3
71.04912	1.1
74.76344	0.6
79.05412	1.3
80.04954	1.1
81.06964	1.5
83.01244	0.9
84.08043	1.8
85.02789	4.5
85.06435	1.2
90.17217	0.7
91.05363	2.0
93.06915	1.8
94.06469	1.3
95.04889	1.5
95.08538	1.2
96.08035	1.5
97.02798	1.6
97.08799	0.7
99.04361	1.5
105.06913	1.8
107.08478	1.3
108.08022	1.5
109.06436	1.2
110.09684	4.9
113.11120	0.6
117.06935	1.1
119.08459	1.3
120.08038	0.7
121.06403	1.5
122.09531	3.0
123.07970	1.0
124.11146	1.3
125.05882	0.6
129.23488	0.6
132.07986	0.8
133.06303	0.9
133.09996	0.9
134.09541	1.7
135.07985	0.9
136.11115	1.4
137.05844	0.7
138.08987	2.0
138.12669	0.7
145.04893	1.1
145.10027	0.9
149.05861	0.8
150.09035	1.9
150.77519	0.8
151.07460	1.0
160.11049	0.7
162.09108	0.8
162.12766	3.3
164.10504	0.7
164.14221	0.8
165.05388	0.7
167.08495	0.7
179.06978	0.8
180.08603	1.2
181.08603	0.8
184.09731	0.9
184.13203	1.2
185.09509	0.8
190.15863	0.7
193.10118	5.5
195.07953	1.1
196.08754	2.7
196.13255	2.3
197.09721	0.6
198.14922	5.2
208.08861	0.9
210.10284	2.3
211.11180	5.6
216.98528	0.7
220.13202	0.9
221.09547	2.7
222.10294	1.2
222.14944	0.9
223.10983	0.9
224.08339	5.0
225.09166	1.1
225.12694	4.4
228.11469	0.8
236.16383	0.7
238.09946	4.5
239.10672	17.8
240.11453	10.8
241.08473	2.6
243.13748	1.0
244.16931	0.6
246.14899	14.4
247.09708	7.5
249.11249	6.4
250.14482	0.9
250.17921	2.9
253.12238	9.8
255.10275	0.8
256.10889	10.6
271.13284	100.0
272.13474	4.2
278.21124	1.5
281.11740	5.7
284.12796	1.0
295.13251	1.0
302.13846	0.8
318.17004	1.0
320.18460	1.5
334.20111	9.4
344.18546	15.6
374.19641	2.2
400.21405	1.1
404.21072	0.8
417.21796	2.1
418.22220	8.7
422.22018	1.2
432.24173	22.7
433.18573	6.9
450.25183	85.5
451.25580	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	450.2487
Annotation	Caerunine
Peak:m/z	Relative Intensity
58.06594	1.0
59.04995	0.7
67.05496	2.0
68.04997	0.5
69.03426	4.3
70.06595	5.7
71.04998	0.7
79.05503	1.2
80.04995	0.9
81.07055	0.9
82.06589	1.0
83.01354	0.5
84.08163	2.3
85.06530	0.3
90.15479	0.3
91.05490	0.9
93.07043	1.2
94.06564	1.0
95.04938	0.5
95.08611	0.9
96.08142	1.8
97.06522	0.3
97.08923	0.9
98.09729	0.3
98.22630	0.7
105.07041	1.0
106.06565	0.3
107.08607	0.6
108.08139	1.4
109.06551	0.8
109.08858	0.4
110.09685	3.6
117.07029	0.4
119.08568	0.7
120.08096	0.7
121.06496	0.7
121.10117	0.3
122.09662	1.4
124.11249	0.8
127.03922	0.5
128.06235	0.4
131.08517	0.5
133.06516	0.5
134.09659	1.3
135.04460	0.3
136.11205	1.0
138.09129	2.2
138.12779	0.5
143.08559	0.6
145.06497	0.3
145.10083	0.5
148.11266	0.5
149.06012	0.9
150.09140	1.2
151.07567	0.3
152.10741	0.4
153.05492	0.5
155.03438	0.3
155.07018	0.7
159.08078	0.4
160.08876	0.3
160.11275	0.5
161.09604	0.8
162.09274	0.4
162.12767	2.4
164.10716	0.3
165.05519	0.3
165.09091	0.3
166.06247	0.3
167.07158	0.4
176.08220	0.3
179.07083	0.6
181.08609	1.1
182.11790	0.7
183.06532	0.7
184.13350	0.8
188.10686	0.4
188.14264	0.4
189.09142	0.5
190.15926	1.0
191.10643	0.5
196.13301	1.9
198.14893	5.5
198.16611	0.5
203.10646	0.4
207.06602	0.4
216.07909	0.4
216.13757	0.3
217.08675	0.5
218.15422	0.5
220.13452	0.4
221.08051	0.3
221.11763	0.5
222.14897	0.3
224.16386	0.6
234.08913	0.6
236.16479	0.7
246.14905	13.1
247.09645	6.6
247.15306	0.7
249.11221	5.6
250.18059	2.0
257.81796	0.3
260.12793	0.4
272.16653	0.3
278.21210	1.2
288.16141	0.5
295.91650	0.3
302.13773	0.5
302.17471	0.5
306.20673	0.5
318.16876	1.4
320.18674	1.3
329.16269	0.5
330.17032	0.5
334.20135	8.6
335.20633	0.6
342.16965	0.4
344.18558	14.8
345.18906	0.8
372.21875	0.5
374.19638	2.6
400.21048	0.6
417.21393	1.5
418.22247	9.0
432.23828	29.3
433.24100	1.3
450.24878	100.0
451.25296	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	450.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05024	0.4
58.06582	0.3
60.35186	0.3
60.44022	0.3
64.12254	0.3
67.05506	1.7
67.05827	0.3
68.05025	0.4
69.03431	4.8
69.41233	0.8
69.41629	0.9
70.06590	5.8
71.04989	0.9
79.05497	1.0
80.05019	0.6
81.07074	0.5
82.06590	0.9
83.01368	0.5
83.07344	0.4
84.08158	1.5
87.84043	0.3
91.05488	1.0
91.65443	0.3
93.05758	0.3
93.07048	1.1
94.06583	1.0
95.04951	0.6
95.07361	0.5
95.08615	1.1
96.08131	2.5
97.06544	0.5
97.08919	0.9
98.23421	0.7
99.04451	0.7
105.07046	1.5
106.06559	0.5
107.08592	1.1
108.08125	1.4
109.06526	0.7
109.08909	0.8
110.09673	3.8
111.00748	0.3
111.51046	0.3
113.47095	0.3
117.07028	0.9
119.08574	1.2
120.08122	1.0
121.06486	0.9
122.09686	2.3
123.08073	0.6
123.10450	0.4
124.11246	0.9
125.05943	0.4
127.03912	0.5
129.06963	0.4
131.08563	0.9
132.08109	0.3
133.06511	0.8
133.10135	0.4
134.09663	1.9
135.08099	0.6
136.11224	1.0
137.06017	0.3
137.09676	0.5
138.09142	1.3
138.12819	0.4
139.07579	0.3
141.05579	0.3
143.08531	0.7
144.20744	0.3
145.06438	0.3
145.10146	0.6
147.04274	0.4
147.08025	0.4
148.11194	0.6
149.06024	2.4
149.12024	0.4
150.09174	1.1
150.12772	0.5
151.07570	0.5
155.37498	0.3
159.08109	0.6
160.08844	0.5
160.11229	0.6
161.09650	0.7
162.12816	2.2
163.07590	0.5
164.49672	0.3
167.06947	0.3
168.10229	0.4
173.09712	0.6
174.12790	0.6
175.11191	0.7
179.07082	0.7
179.10654	0.4
181.08624	0.8
182.11841	0.6
183.06580	0.6
184.13332	0.9
186.12848	0.4
188.14345	0.6
189.09140	1.6
190.15936	1.3
196.13361	1.4
198.14906	3.6
203.10669	0.4
204.07858	0.3
210.14964	0.5
216.07681	0.3
218.15433	0.5
219.10194	0.7
222.14885	0.6
224.16466	0.6
231.10211	0.6
233.11661	0.4
234.08974	0.5
236.16422	0.4
246.14893	18.9
247.09653	21.7
247.15155	0.7
248.10042	0.7
249.11192	4.5
250.18045	3.4
268.17007	0.5
276.15726	0.4
278.21164	1.4
286.14874	0.3
286.18118	0.5
287.05490	1.6
288.05841	3.3
302.17661	0.7
302.20801	0.3
312.90125	0.4
318.16995	1.4
320.18497	2.6
329.16333	0.5
330.16840	0.4
334.20114	13.7
335.20343	0.6
344.18570	28.8
345.18781	1.3
372.21698	0.5
374.19650	1.4
400.21283	0.7
417.21259	0.7
418.22214	11.0
419.22787	0.6
432.23834	31.7
433.24115	2.4
450.24872	100.0
451.25204	9.3
451.31531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
57.07084	5.7
58.06592	2.8
58.80625	0.6
65.03924	2.8
67.05493	2.2
69.03428	1.7
69.07066	1.0
69.96516	2.1
70.06251	1.0
70.06599	15.8
70.56432	0.8
71.04981	2.9
71.08617	2.2
76.47272	0.9
79.05492	1.9
81.07027	1.9
83.08589	0.9
84.08147	1.3
85.10175	1.1
87.21144	0.8
88.07138	1.2
88.07639	19.4
91.05467	1.7
94.72086	0.8
95.08604	1.2
98.23403	1.0
102.09192	15.8
105.07027	2.1
108.08146	0.9
109.06493	0.8
110.09647	1.0
111.08054	1.1
121.02898	0.8
121.06561	1.0
122.09689	1.3
125.02321	0.8
134.09628	3.0
135.08038	2.1
137.05887	0.8
139.03864	1.5
149.02359	74.1
149.03441	5.1
150.02625	1.5
151.03844	0.9
162.12738	3.9
163.13544	2.2
193.04980	84.1
194.05246	2.6
198.14845	1.7
208.13248	1.4
244.62628	0.7
246.14851	3.6
247.09583	1.6
249.11185	1.5
250.18059	1.4
258.68414	0.8
260.16483	1.1
284.26306	1.8
284.29501	36.8
285.29706	1.5
299.45703	0.8
334.20056	3.2
344.18509	4.8
349.16837	1.6
353.26837	1.7
374.19724	0.9
418.22049	2.4
432.18726	1.3
432.24557	6.5
450.20752	18.1
450.25247	16.1
450.31979	100.0
451.10690	2.8
451.20886	1.1
451.32382	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	450.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36643	2.6
55.05505	8.9
57.03438	31.6
57.07073	3.2
61.02923	6.5
67.05503	6.7
69.07066	10.6
69.29820	10.9
70.06579	9.9
71.05000	3.9
71.08623	3.6
79.05489	2.9
80.53016	3.1
80.94852	5.2
81.07064	6.9
83.08627	7.2
88.07636	7.8
93.07047	5.3
95.08607	11.7
96.95705	2.6
97.10181	5.1
102.09168	6.7
105.07041	4.8
109.10111	5.6
109.10874	2.9
117.05487	100.0
121.10211	3.4
129.02893	3.4
134.09691	4.9
149.02348	29.3
162.12814	5.6
180.47047	2.9
193.04958	32.9
198.86967	2.8
211.96909	2.8
246.14886	5.6
247.09695	3.7
249.11171	4.5
250.18178	3.9
260.16125	3.4
284.29462	16.2
330.02737	3.3
334.20105	5.0
338.08392	3.4
344.18469	8.6
397.29422	28.5
418.22266	4.0
432.24210	6.6
450.21155	39.6
450.25638	15.6
450.32181	34.4
451.31976	3.2
457.50198	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1214
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
63.57586	0.5
65.75253	0.6
69.32722	0.5
69.69768	2.1
78.66258	0.6
87.11021	0.6
91.21024	0.5
98.23385	1.1
98.53631	0.5
98.97607	0.7
111.79931	0.5
119.01884	0.7
126.11433	0.6
130.26230	0.6
140.70853	0.5
155.01831	0.7
164.93498	0.9
172.86348	0.5
184.06398	0.7
191.15936	0.6
193.47981	0.5
215.94565	0.7
235.06616	0.9
247.06595	0.7
291.93765	0.9
337.10062	4.8
451.12119	100.0
452.12479	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	451.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71886	1.6
52.07486	1.5
53.03943	1.5
55.05510	1.9
65.03940	2.9
67.05512	3.4
69.03415	2.7
69.67112	3.3
69.67504	4.1
70.06576	2.9
71.04993	2.8
75.04478	2.6
78.04707	2.8
79.05479	7.3
81.07066	3.2
83.01321	2.0
83.51738	1.6
89.03930	1.7
90.90343	1.7
91.05476	19.2
92.41393	1.3
93.03397	5.1
93.07061	8.1
95.04973	6.4
97.06544	2.5
103.05466	13.6
105.04514	2.8
105.07028	55.1
105.07738	3.1
106.04176	9.7
107.04958	5.8
109.06499	1.9
111.80976	1.7
111.82523	1.6
117.03406	3.1
117.06981	1.6
119.04988	2.1
120.05740	2.0
121.06514	29.8
123.04446	5.8
125.06062	2.4
131.04938	17.8
132.05701	2.9
133.06433	1.7
134.03641	3.9
134.09743	2.1
135.04379	2.4
135.08058	6.1
137.06000	6.7
139.03958	2.9
139.07516	2.6
147.04420	2.9
148.05194	6.7
149.05978	34.6
151.03940	2.1
151.07579	3.8
153.09114	4.1
154.06284	5.2
155.21928	1.4
156.07686	1.8
159.04405	5.1
161.05977	3.5
162.12888	2.1
163.03964	2.1
163.07568	5.6
164.14310	1.5
165.05521	2.1
165.09125	3.2
166.06329	2.6
167.07037	100.0
168.07434	2.4
177.05457	41.3
177.06961	2.1
179.06950	1.8
181.08577	17.2
182.09338	15.1
186.96864	1.7
189.09161	1.9
191.07053	16.4
192.07762	11.2
193.08569	2.9
194.05534	2.1
200.24846	1.5
209.08092	60.7
210.08870	23.5
223.11426	2.6
241.12248	4.2
243.13832	5.5
246.15042	1.8
247.09558	2.1
247.15218	2.5
248.10098	3.6
250.11612	1.9
255.13808	2.7
267.13831	4.8
282.10904	2.3
297.14877	6.1
330.91495	1.5
335.20407	3.2
345.18866	5.9
408.18045	1.9
419.22476	4.5
433.24481	11.8
450.25107	2.9
451.20264	8.1
451.26083	36.5
452.16721	33.6
452.22809	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	451.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19035	0.5
55.05268	0.8
55.05515	12.8
57.03436	8.4
57.07084	6.0
57.07346	1.0
62.99808	0.5
64.78870	0.6
65.03937	0.6
66.55070	0.5
67.05173	0.7
67.05509	9.4
69.06710	1.2
69.07067	17.8
70.71619	0.6
71.08617	2.6
79.05481	4.8
81.06621	0.9
81.07059	9.9
82.95057	0.5
83.08619	12.7
85.10177	1.7
89.06007	1.0
90.89982	0.6
91.05508	0.9
93.07037	5.8
93.63838	0.6
95.08607	10.9
97.06537	2.1
97.10173	6.9
106.30053	0.5
107.08607	3.2
109.10149	4.7
111.08092	1.3
111.11729	2.3
113.00018	34.9
118.17911	0.5
121.10162	4.9
123.11714	1.0
125.09621	0.6
129.09248	0.5
135.11699	3.5
143.42986	0.7
149.13242	1.6
163.14748	0.7
169.02617	35.7
172.65701	0.5
187.03711	2.7
239.14848	1.1
247.24240	1.9
265.25211	2.8
266.86600	0.5
339.28931	100.0
340.29282	5.1
398.95313	0.6
431.98679	0.6
451.21313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35686	0.8
51.07494	0.7
51.59527	0.8
53.03939	1.0
54.17195	0.7
55.05513	28.0
57.03176	1.4
57.03439	13.6
57.07080	12.1
67.05156	1.5
67.05504	20.1
69.07067	32.0
71.04979	1.7
71.08637	6.4
71.22163	1.5
74.63795	0.8
79.05495	7.1
81.07054	20.3
83.04997	1.3
83.08619	21.9
83.09103	1.7
85.10186	2.3
91.05480	1.4
92.22900	0.9
93.07049	11.5
94.29456	0.7
95.04945	1.0
95.08604	20.8
97.06531	3.2
97.10162	11.5
101.31746	0.9
105.00083	0.9
107.08586	6.3
109.10145	8.0
111.08087	1.9
111.11715	2.0
113.00016	66.5
121.10144	8.5
123.11699	1.6
123.87132	0.8
125.09633	1.6
129.22632	0.8
135.11699	7.3
136.30026	1.0
144.56889	0.9
149.13242	2.8
169.02620	35.0
176.60683	0.9
181.79668	1.0
187.03677	2.1
265.25296	2.7
267.59412	1.1
339.28931	100.0
340.29153	5.4
451.21469	2.6
452.22461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35924	0.3
55.05494	0.4
69.03422	0.4
73.06558	0.7
79.05489	0.5
80.76926	0.3
81.07024	0.4
93.07037	0.3
94.49167	0.4
95.08631	0.5
97.06579	0.3
107.04889	0.4
109.10144	0.4
109.35583	0.3
127.80512	0.3
135.78084	0.4
143.98018	0.3
149.05742	5.6
151.03697	1.3
174.09076	0.5
175.09979	0.6
198.08926	1.2
200.10593	0.4
226.08246	0.4
233.85078	0.3
274.11340	0.5
274.14377	10.6
302.13882	5.8
303.14111	0.5
324.12100	3.1
325.12872	1.7
362.13193	0.3
389.41110	0.4
390.16736	0.4
408.18024	1.2
424.17337	5.3
434.15982	1.0
452.16827	100.0
452.73764	0.8
453.17230	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	452.1679
Annotation	CHEBI:34763
Peak:m/z	Relative Intensity
51.76374	0.3
69.34106	2.0
69.34457	0.7
91.04591	0.3
98.22749	0.6
107.35075	0.3
149.05727	5.9
150.02914	0.4
151.03647	1.2
175.09906	0.5
198.08992	1.5
235.58626	0.4
270.73178	0.4
274.14374	9.4
274.17151	0.7
274.94543	0.4
275.14694	0.5
302.13889	6.3
324.12009	2.9
325.12924	2.0
408.17877	1.6
424.17325	5.8
434.15402	0.6
452.16812	100.0
453.17142	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	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
56.96560	5.5
57.03180	1.6
57.03442	19.1
59.04993	5.2
60.04509	3.4
61.02924	2.8
69.03432	62.0
70.06581	2.2
71.04990	4.0
71.45921	1.4
73.02914	5.2
74.88612	1.4
80.04990	2.4
81.03413	4.1
83.01333	2.2
84.08156	2.0
85.02904	39.8
87.04469	43.5
92.60109	1.4
94.06593	1.7
95.08603	2.0
97.02261	2.5
97.02892	48.3
98.97608	3.0
99.04472	12.1
100.96147	1.4
105.07068	2.1
109.02884	35.1
111.08064	5.3
115.03931	74.3
116.52885	1.3
122.09669	3.4
123.04422	1.9
123.08072	1.7
126.09161	1.5
126.54295	1.4
127.03919	5.3
133.02870	11.2
133.04967	74.6
135.04466	2.1
136.11224	3.5
137.05969	2.7
141.05458	36.1
145.02954	1.8
145.04958	8.7
147.04388	1.7
150.07619	12.6
150.09015	2.5
151.03944	2.8
151.07590	3.3
152.10730	2.1
152.98434	1.3
153.05450	3.4
157.08658	3.2
159.04485	1.6
163.03915	2.5
164.14377	9.5
165.05473	21.9
167.07031	2.0
168.10211	2.9
177.05486	9.2
182.11809	7.0
183.06563	7.3
186.30643	1.5
189.05371	1.6
191.07021	1.5
203.02216	2.4
207.06529	5.9
208.13278	2.0
213.00911	1.8
219.06549	10.3
219.10117	3.2
231.01762	1.8
231.06689	1.5
234.14873	2.4
236.16428	2.2
237.00609	2.8
237.07590	14.0
237.11087	6.6
241.07146	2.5
249.02745	1.7
255.01747	8.8
255.12216	6.8
259.07990	2.0
267.08661	4.3
273.02832	7.6
292.88916	1.6
295.10220	1.6
298.97034	1.4
308.18546	4.7
411.05899	6.4
416.20663	1.3
429.07004	3.4
434.21872	8.4
452.22791	100.0
453.23187	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	452.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88798	0.5
54.03640	0.5
55.01876	1.5
55.05515	1.0
57.03444	1.2
65.03971	0.6
67.05509	0.8
69.03433	5.2
70.06592	1.2
71.04985	3.8
79.05502	2.5
80.05016	1.2
81.03432	0.8
81.07050	1.2
82.06570	0.9
83.01353	2.4
83.04993	1.2
84.08150	1.1
85.02917	4.1
91.05484	2.6
93.07064	1.0
94.06584	1.9
95.04984	1.1
95.08582	0.9
96.08144	1.1
97.02910	1.5
99.04476	1.0
104.04980	0.6
105.07056	1.5
106.06563	3.9
107.04944	0.5
107.08617	0.7
107.85867	0.4
109.06532	1.2
110.06064	0.8
111.04421	1.4
111.08094	2.7
112.07607	1.3
115.03896	0.9
115.05476	0.9
117.07042	1.6
118.06548	1.2
119.04988	0.5
119.08630	1.0
120.08128	1.5
121.06513	1.6
122.06005	2.6
122.09670	1.6
123.08047	0.8
124.07646	0.9
125.02428	0.5
125.06032	0.5
127.03946	1.3
128.06273	0.8
129.06998	1.7
130.06517	0.8
131.08585	0.8
132.08066	1.2
133.06543	1.0
134.09697	1.5
135.08069	0.9
135.86539	0.5
136.11215	2.3
137.05960	1.4
138.09167	0.9
139.03911	1.1
142.08667	1.2
143.03383	0.6
143.08540	1.2
144.08076	0.5
145.04956	1.4
145.06531	1.4
145.10172	0.6
147.08018	0.9
148.07556	0.7
150.09201	2.0
153.01923	0.8
153.05516	1.2
154.12271	0.5
154.95204	0.5
155.07149	0.9
155.08478	0.7
157.06476	1.0
160.07579	1.2
162.12801	0.7
163.06065	1.6
164.14342	4.0
165.05502	0.9
168.10226	2.0
171.08058	1.4
173.05946	0.6
173.09604	0.5
175.07608	0.9
176.10745	0.7
177.05333	0.7
177.09067	0.7
178.08623	1.1
179.07085	1.0
181.05020	0.8
182.11813	4.0
188.10721	0.6
189.09111	0.8
193.04979	1.6
193.08752	0.6
194.11816	1.1
205.08560	0.8
216.10252	0.5
217.08507	1.0
219.06641	1.0
231.10159	0.6
234.11275	0.8
234.14943	1.3
236.16534	1.8
245.08026	2.0
247.09749	0.8
252.12343	5.3
279.08807	0.9
289.10776	1.2
308.18362	2.9
408.23798	0.6
416.16904	1.0
434.17770	4.2
434.21985	3.8
449.21793	0.6
452.18140	100.0
452.23770	20.1
453.18610	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	452.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01874	0.6
55.05500	0.6
56.05022	1.4
56.10946	0.4
64.70337	0.3
65.03934	0.4
67.05493	1.7
68.05025	3.3
69.03419	1.8
69.05798	0.4
69.07061	1.0
69.29901	0.8
69.30303	1.1
70.06593	2.0
71.05000	2.2
77.98477	0.3
79.05487	2.3
80.05017	23.2
81.03412	0.8
81.05824	0.4
81.07050	1.5
82.06589	0.5
83.05010	0.8
84.04516	0.5
85.02905	2.4
85.06573	0.3
87.00803	0.3
87.04520	0.4
91.05471	1.4
93.07048	1.6
94.06573	3.0
95.04967	87.9
95.08602	1.2
96.05296	1.0
96.08128	4.0
97.02911	1.2
97.06522	3.6
98.06054	3.9
98.06851	1.0
99.04462	0.8
100.11265	0.6
103.05437	0.3
105.04490	0.3
105.07004	0.5
107.08578	0.5
109.02886	0.5
109.06534	0.8
109.10146	0.6
110.06037	1.3
111.04449	0.6
111.08085	0.7
115.03924	1.8
118.06547	0.6
119.07299	0.4
120.08105	5.1
120.08913	0.6
121.06502	2.7
122.06045	0.7
122.09658	0.4
123.04464	0.7
123.08106	0.4
127.03926	1.4
131.08575	0.4
133.04988	0.9
134.09697	0.4
135.04399	0.5
136.07620	0.6
138.09140	48.7
139.07545	1.3
139.09479	1.2
141.09140	0.6
145.04939	0.7
145.10072	0.4
148.07564	11.8
150.09122	0.9
155.03331	0.6
155.06972	0.4
156.10197	100.0
157.10548	1.9
159.08047	0.5
159.10144	0.8
163.03911	2.3
164.04259	1.5
166.08636	15.2
167.06903	0.4
168.10185	2.6
169.12241	0.5
182.11710	0.4
183.06479	0.7
184.09689	49.9
184.85156	0.3
185.09990	1.2
189.09093	0.5
190.09483	0.4
192.13754	0.8
200.10657	0.4
205.93477	0.3
208.13312	0.6
214.09335	0.5
215.07109	0.6
216.07413	1.5
233.11769	0.6
246.14897	0.6
251.12793	7.8
255.06540	0.5
259.09836	2.1
260.10016	4.2
272.14816	0.7
276.15976	0.6
277.09195	0.4
278.17453	2.4
280.18933	0.4
306.16983	0.4
324.17996	0.4
376.21255	0.4
390.22549	0.5
398.19885	0.5
406.22128	1.0
408.23782	1.3
409.47638	0.4
411.19846	0.9
416.20825	2.3
434.16010	0.7
434.21716	12.4
435.22391	0.8
452.22769	22.4
453.23035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05490	1.2
56.05019	0.5
67.05479	0.9
68.05024	0.4
69.03425	2.9
69.37654	0.5
69.38060	1.0
70.06586	3.3
71.04990	3.7
79.05471	0.9
80.05018	1.6
81.03426	0.3
81.07045	1.1
82.06568	0.7
83.01339	2.6
83.07368	0.3
84.08142	2.4
85.02857	0.4
85.06526	0.4
88.07603	0.3
91.05450	0.9
93.07037	0.7
94.06549	1.3
95.04947	0.7
95.08574	1.0
96.08144	1.6
97.06528	0.4
97.08904	0.9
98.06026	0.3
99.04430	0.9
100.11244	0.4
101.05988	0.3
105.07000	1.2
107.08582	0.4
107.25768	0.3
108.08096	0.7
109.06512	0.5
109.08893	0.4
110.09653	1.1
111.08079	4.6
115.03911	1.5
117.07031	0.5
119.08546	0.7
120.08080	0.8
121.10135	0.5
122.09669	4.0
123.08043	1.1
123.10484	0.4
124.07559	0.6
124.11199	0.9
125.05946	0.8
126.09051	0.4
127.03879	0.8
134.09637	1.2
136.11205	4.0
137.05940	0.4
138.12823	0.5
139.07472	0.4
143.03423	0.9
146.09616	0.6
148.11183	0.6
150.09134	3.2
152.10738	1.4
154.12331	0.6
155.06978	1.0
160.08940	0.3
160.11243	0.4
162.12758	1.3
163.13519	0.4
164.10719	0.4
164.14354	7.8
166.12254	0.3
167.07074	1.7
168.10222	3.4
170.11720	0.6
176.14320	0.5
180.10185	0.5
180.13741	0.9
182.11751	8.3
182.15385	1.1
183.06491	0.4
183.12105	0.4
184.13307	0.5
186.11232	0.6
189.05458	0.5
189.09140	0.5
190.12238	0.4
190.15916	0.8
192.13870	0.3
195.16106	0.4
197.08054	0.6
206.11800	0.4
208.13329	0.6
208.16953	0.9
210.14955	0.5
223.09076	0.3
234.14900	2.7
235.15625	0.4
236.16400	2.4
247.09628	1.4
248.16541	0.3
251.12775	0.5
260.16394	0.4
262.17966	0.6
264.19513	0.6
278.17517	0.9
292.19012	1.1
308.18533	5.1
310.19992	0.4
318.16962	0.5
336.17801	0.3
346.20065	0.8
354.19025	1.1
360.18069	0.3
364.16864	0.3
378.18912	0.6
390.22726	0.6
406.22360	0.5
420.23993	0.6
434.21500	9.6
435.21744	0.7
452.22650	100.0
453.22989	7.2
453.33344	0.5
468.36157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01858	0.7
58.06607	0.6
66.47693	0.4
67.05511	0.9
69.03187	0.3
69.03436	3.1
69.43199	0.6
69.43604	1.3
70.06596	5.4
71.04988	1.1
79.05495	1.0
80.05019	1.2
81.07059	0.9
82.06596	1.0
83.01349	0.7
83.07376	0.4
84.08147	1.9
91.05484	1.2
93.07038	0.8
94.06571	1.4
95.08608	1.0
96.08139	1.6
97.08915	1.1
98.22633	0.5
98.97601	0.4
105.07027	0.9
107.84579	0.3
108.08132	0.9
109.06495	0.5
110.09668	2.0
111.08065	1.0
115.03953	0.5
117.07035	0.5
119.05129	0.3
119.08581	0.5
120.08068	0.8
120.58105	0.3
121.06520	0.5
122.09644	2.1
123.08118	0.3
124.11205	0.8
125.05987	0.5
131.08575	1.1
134.09695	1.2
135.08067	0.9
136.11229	1.7
138.09152	0.6
138.12769	0.5
139.03940	0.3
143.03429	0.4
144.46284	0.4
145.10144	0.4
148.11238	0.8
149.06006	1.0
150.09155	1.5
151.07562	0.6
152.10709	0.9
159.08098	0.7
160.11224	0.8
161.09612	0.5
162.12740	2.0
164.10667	0.6
164.14362	2.7
168.10162	1.0
175.07571	0.6
176.14310	0.4
177.05580	0.4
179.07033	0.5
182.11790	4.9
184.13332	6.9
184.14836	0.6
187.07553	0.7
189.09122	0.7
190.15866	0.6
191.10637	0.7
203.06937	0.7
203.10890	0.4
205.08542	0.5
208.13358	0.9
217.04956	0.8
217.08714	0.3
219.10216	0.6
234.14906	1.4
236.16573	2.0
246.14902	5.0
247.09625	0.8
252.15891	0.5
262.18112	0.6
263.09140	5.8
264.09268	0.4
264.19586	0.8
265.10727	2.6
302.17557	0.4
308.18686	1.3
320.18576	5.3
328.15277	0.5
332.18790	0.4
334.16553	0.8
342.16840	0.4
346.16388	1.1
360.18039	9.7
361.18381	0.9
376.17416	0.7
388.21210	0.8
392.06561	0.9
410.07635	0.5
416.20703	6.3
417.20941	0.5
419.19376	0.5
434.21750	19.7
435.22104	1.6
452.22775	100.0
453.13815	0.6
453.23044	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	452.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01874	0.5
55.05508	1.7
56.05047	1.1
57.03431	1.3
58.64451	0.4
65.03926	0.7
67.05498	2.3
68.05031	3.7
68.64435	0.4
69.03434	4.3
69.05818	0.4
69.07068	1.5
70.06603	2.2
71.04995	6.4
71.44862	0.5
79.05497	2.7
80.05021	23.7
81.03427	1.4
81.05785	0.5
81.07058	5.4
82.06596	0.6
83.04990	1.2
85.02898	3.8
85.06541	0.9
87.04464	0.7
91.05492	2.7
93.07057	2.9
94.06573	3.1
95.04972	85.9
95.08604	2.4
96.05302	1.5
96.08138	3.7
97.02889	1.6
97.06528	4.4
98.06062	3.6
98.06795	0.7
99.04469	1.5
99.08110	1.1
100.11270	1.0
103.05463	0.8
104.15725	0.4
105.07036	3.5
107.08568	2.3
109.02872	1.1
109.06507	1.4
109.10153	2.9
110.06049	0.9
111.04436	0.6
111.08083	1.9
113.09659	0.7
115.03939	3.4
117.07040	0.9
118.06545	0.8
119.08586	1.6
120.08109	6.3
121.06508	2.8
121.10138	1.7
122.09644	1.7
123.04434	1.0
123.08097	0.9
123.11719	1.3
125.09641	2.0
127.03935	2.8
127.07550	1.3
127.11176	2.9
129.07011	0.7
131.08565	1.2
133.05032	1.3
133.06532	0.4
133.10130	5.5
134.09656	0.6
135.08090	0.9
135.11699	0.5
136.07510	0.5
136.11227	1.0
137.05981	0.6
137.09637	0.8
138.09146	53.1
139.07550	1.4
139.09532	0.7
139.11191	0.5
141.09103	1.5
143.10672	1.5
145.04961	2.4
145.10152	2.4
147.11708	1.4
148.07578	12.8
150.09149	2.1
151.11200	3.1
152.10713	0.6
155.10684	0.8
156.10207	100.0
157.10596	2.3
159.10181	1.1
159.11620	0.9
161.05984	0.8
161.13232	0.6
163.03954	1.5
164.04279	0.9
164.14368	1.6
166.08636	15.6
167.08772	0.7
168.10211	2.6
169.12241	3.4
173.02383	0.7
175.07501	0.5
182.11853	1.2
183.06540	0.6
184.09700	50.0
185.09998	1.1
186.11281	0.7
187.13252	0.7
187.73654	0.5
189.09145	1.0
190.09442	0.6
191.17967	0.4
201.16376	2.6
208.13326	0.8
209.16624	0.5
210.14986	0.7
213.09215	0.6
214.09537	0.9
215.07033	0.6
216.07381	1.4
218.09190	0.5
219.17421	4.0
231.10201	0.6
232.13383	0.5
233.11714	0.7
236.16379	0.6
237.18520	12.4
251.12828	6.4
255.19730	0.6
259.09781	2.3
260.09998	4.8
267.15878	0.5
277.09244	1.1
278.17502	1.8
288.05737	0.6
289.06152	1.0
290.06247	0.8
306.16830	0.7
360.18021	0.6
388.21094	0.7
390.71277	0.5
398.19684	0.9
406.21957	1.3
408.23877	1.9
416.20456	1.8
434.21780	13.2
435.22012	0.7
452.22672	33.7
453.22955	2.7
453.34354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05504	0.4
55.93381	0.2
58.81773	0.2
67.05508	0.8
68.05059	0.2
69.03419	1.5
69.12853	1.4
70.06590	2.3
71.04997	2.9
79.05496	0.7
80.05014	1.7
81.07071	0.9
82.06577	0.6
83.01339	2.8
83.05022	0.2
83.07374	0.4
84.08138	2.1
85.06534	0.3
91.05483	0.6
93.07033	0.7
94.06590	1.4
95.04962	0.6
95.08624	1.0
96.08128	1.5
97.08952	0.6
98.09727	0.3
99.04450	0.6
105.07015	1.0
107.08593	0.4
108.08130	0.6
109.08924	0.3
110.09668	0.8
111.08081	5.1
111.10486	0.3
112.07600	0.3
115.03922	1.6
119.08617	0.5
120.08163	0.6
121.10088	0.3
122.09669	3.0
123.08063	0.7
124.11242	1.0
125.06009	0.4
131.08621	0.3
133.06514	0.3
134.09671	1.0
135.10428	0.2
136.11220	4.0
138.12866	0.3
139.07564	0.3
140.10722	0.3
141.09131	0.3
143.03410	1.0
148.11240	0.5
149.09853	0.3
150.09146	2.8
152.10695	1.4
154.12317	0.4
155.07071	1.3
159.08150	0.3
160.11261	0.5
161.09547	0.3
162.09158	0.3
162.12770	1.4
163.13602	0.4
164.10756	0.3
164.14343	8.5
164.15666	0.5
165.14760	0.5
166.12323	0.3
167.07057	0.3
168.10214	2.5
170.11792	0.5
176.14328	0.7
180.10249	0.5
180.13847	0.7
182.11760	9.4
182.15314	1.3
184.13370	0.6
189.09047	0.3
190.12280	0.4
190.15942	1.0
193.08453	0.2
195.16316	0.5
197.08061	0.3
201.90607	0.3
208.13335	1.0
208.16998	0.8
210.14967	0.4
216.13873	0.3
220.13373	0.3
234.14871	2.5
236.12764	0.3
236.16377	2.6
237.11288	0.3
247.09677	1.1
260.16476	1.1
262.18155	0.8
264.19678	0.7
278.17511	0.9
280.19116	0.7
292.19104	0.3
296.63678	0.3
308.18518	4.7
308.21851	0.4
309.19058	0.4
354.19067	0.7
364.17606	0.3
378.19159	0.5
382.18665	0.3
390.22675	0.6
406.22189	0.6
416.20425	0.4
434.21707	10.5
435.21957	0.7
452.22769	100.0
453.23090	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	452.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08345	0.3
54.58257	0.2
54.84521	0.3
55.01868	0.4
67.05505	1.1
69.03431	2.0
69.66510	0.6
69.66894	0.6
70.06587	2.4
71.04995	4.1
71.07349	0.4
79.05499	1.2
80.05033	1.6
81.07046	0.6
82.06587	0.6
83.01333	3.1
83.07330	0.3
84.08138	2.9
91.05511	0.6
93.07056	1.0
94.06573	1.2
95.04967	0.8
95.08622	1.0
96.08128	1.8
97.06547	0.4
97.08904	0.7
97.62433	0.3
98.06081	0.5
98.22743	0.6
99.04466	0.7
99.60103	0.3
105.07018	0.6
107.08549	0.7
108.08125	0.9
109.06529	0.6
110.09688	1.1
111.08093	4.6
115.03947	1.8
119.08561	0.3
120.08103	0.7
121.06526	0.3
122.09667	3.6
123.08091	0.8
124.07514	0.3
124.11266	1.6
124.30234	0.3
125.06037	0.5
132.08055	0.3
134.09683	1.2
136.11226	4.3
140.10768	0.3
143.03401	0.9
146.09663	0.5
148.11157	0.4
150.09146	3.2
152.10709	1.5
154.12234	0.4
155.07008	1.5
160.11292	0.6
161.09666	0.4
162.09167	0.5
162.12816	1.2
163.13484	0.3
164.10712	0.4
164.14345	9.8
168.10220	3.0
170.11771	0.5
172.11215	0.3
176.14357	0.8
177.09087	0.4
178.15871	0.3
180.13893	0.9
182.11774	10.5
182.15331	1.4
183.06548	0.5
183.12163	0.5
184.13371	0.5
189.09120	0.4
190.12288	0.5
190.15982	0.9
197.08147	0.4
206.15402	0.5
208.13405	0.9
208.16994	0.8
210.14957	0.4
223.09702	0.3
234.14844	3.4
236.16426	2.4
247.09705	1.2
260.16486	0.9
261.17252	0.4
262.18085	0.9
264.19470	0.4
265.10834	0.3
278.17563	1.3
280.19156	0.4
292.19058	0.8
308.18533	6.1
354.19138	0.9
360.18076	0.4
364.17123	0.4
378.19183	1.0
390.22711	0.6
406.22296	0.8
416.20737	0.4
434.21793	11.4
435.22040	0.9
452.22812	100.0
453.23093	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	452.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
55.05485	0.5
56.05030	0.4
57.12785	0.3
58.06583	0.4
66.41212	0.3
67.05511	1.2
68.05014	0.4
69.03423	3.2
69.07066	0.4
69.72165	0.4
69.72501	1.1
70.06589	3.1
71.04982	0.7
79.05486	1.4
80.05004	1.3
81.07053	1.1
82.06599	0.9
83.01333	0.4
83.04997	0.4
84.08163	1.0
85.02856	0.4
85.06532	1.0
86.06059	1.3
91.05478	1.6
91.87692	0.3
93.07061	1.0
93.38951	0.3
94.06568	1.3
95.04968	0.7
95.08647	0.5
96.08143	1.6
97.06555	0.5
98.05992	0.4
105.07027	1.3
107.08598	0.7
108.08138	1.4
109.06523	0.6
109.08942	0.6
110.09665	1.8
111.08091	3.3
117.07054	0.5
119.08566	0.8
120.08115	1.2
121.06466	0.5
122.09669	2.3
122.24916	0.4
123.04391	0.7
124.07596	0.6
125.05986	1.1
127.03935	0.8
129.07004	0.5
131.08609	0.8
133.06526	0.6
133.10162	0.4
134.09647	1.3
135.08023	0.5
136.11232	1.5
137.12067	0.7
138.09108	0.5
139.07622	0.6
143.08546	0.4
145.10179	0.4
146.09665	0.6
147.08066	0.4
148.07596	0.7
148.11201	0.5
149.02428	0.4
149.06039	0.7
150.09146	1.9
150.12808	0.8
152.10658	0.8
153.05496	0.7
154.25136	0.3
155.07088	1.0
160.11214	0.8
161.09616	0.6
162.12805	3.2
164.10768	0.7
165.05507	0.6
166.08653	0.4
168.10237	0.9
172.11180	0.5
175.11267	0.6
178.12349	1.2
180.10123	0.6
180.13953	0.3
181.08617	0.8
182.11761	4.0
183.06508	3.5
184.13330	2.9
186.12791	0.4
188.10759	0.4
189.09148	0.8
194.11665	0.5
196.09711	0.4
200.10748	0.4
202.12253	0.5
203.10797	0.4
205.12363	0.5
208.13315	1.0
216.07379	0.5
216.13858	0.7
220.13348	0.6
231.10236	0.6
232.13301	0.4
234.14960	0.6
236.16447	5.0
242.15549	0.4
243.41685	0.4
244.06956	1.2
247.09668	5.9
248.12933	0.4
249.11235	0.8
252.16000	1.2
254.17528	1.2
260.16519	0.5
262.14474	1.4
270.14810	0.3
271.05984	0.7
272.06348	0.5
278.17236	0.3
286.14285	0.3
290.17487	0.4
292.15436	0.4
302.63983	0.4
304.15427	0.7
306.17181	0.4
330.16974	0.7
334.16647	0.7
336.18152	2.9
342.17020	1.3
360.18088	7.6
388.21240	0.4
391.20139	0.3
398.19705	0.5
404.20749	0.7
416.20566	2.5
434.21744	17.4
435.22162	1.1
452.22781	100.0
453.23181	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	452.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18156	0.4
55.01858	0.7
55.05494	0.4
58.06592	0.8
62.19699	0.4
67.05489	0.8
68.05002	0.6
69.03424	2.9
69.32964	2.2
70.06594	3.2
71.04985	1.2
73.09502	0.4
76.47440	0.4
79.05486	1.9
80.05013	2.2
81.07040	0.8
82.06584	1.2
83.01392	0.5
84.08131	1.6
86.06054	0.8
91.05470	1.2
93.07037	1.5
94.06575	1.0
95.04956	3.1
95.08607	0.8
96.08130	1.5
98.06031	0.4
98.32764	0.4
99.04449	0.6
101.06011	0.4
101.96468	0.4
105.07050	1.1
106.06519	0.5
107.08615	0.5
108.08124	1.4
109.06487	0.9
110.09654	2.2
111.08089	1.5
112.07605	0.5
117.07014	0.7
119.08569	0.6
120.08115	1.2
121.06499	0.7
122.09686	1.8
124.07578	0.7
124.11234	0.5
125.05984	1.1
126.13307	0.4
127.03913	0.6
131.08536	0.7
133.06499	0.4
134.09639	1.9
135.10399	0.4
136.11192	1.2
137.06035	0.6
138.09119	2.0
138.12747	0.6
139.07544	0.4
143.08588	0.6
145.10057	0.8
146.09656	0.9
148.07594	0.5
148.11212	0.4
149.05980	1.4
150.09111	1.2
152.10732	0.5
155.03378	0.8
155.07062	0.7
156.10172	1.0
157.18378	0.4
159.08080	0.6
160.11180	0.6
161.09654	0.7
162.09175	0.5
162.12798	4.1
163.03786	0.5
164.10756	0.6
164.14360	0.6
165.08981	0.5
167.07036	0.6
168.10213	0.9
174.12775	0.5
178.12349	0.5
179.07056	0.6
180.10144	0.6
182.11780	4.7
183.06532	1.7
184.09645	1.9
184.13301	3.2
186.12807	0.4
189.09132	1.4
191.10643	0.6
200.12825	3.0
202.12369	0.4
205.08791	0.5
206.11880	0.5
208.13306	0.9
216.13820	0.7
226.29059	0.4
230.11926	0.5
234.14958	0.6
236.16409	5.0
247.09644	10.7
249.11261	1.4
251.12878	1.3
252.15939	1.8
254.17549	1.1
260.16324	0.5
262.14395	1.5
278.17487	0.8
280.19104	0.9
288.29608	0.5
310.10568	0.5
328.15689	0.6
334.16425	0.6
336.18005	3.6
342.16965	1.0
346.16461	0.5
360.18021	4.7
370.20334	0.5
388.21133	0.5
416.20679	2.0
434.21747	14.4
435.21982	1.3
440.19907	0.5
452.22757	100.0
453.23090	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	452.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
59.80695	1.6
67.04472	1.4
67.05517	2.7
69.03444	7.5
69.03751	1.3
70.06598	3.9
71.04993	4.2
77.03922	1.3
79.05505	3.4
80.05029	1.9
81.07047	1.4
82.06583	1.3
83.01361	2.3
84.08154	3.1
85.02897	4.6
91.05495	3.8
93.07058	4.8
95.08606	1.9
96.08109	1.8
97.02924	1.8
97.08865	1.3
100.80207	1.3
103.05485	4.3
105.07028	20.9
109.10181	1.4
110.09650	1.3
111.08114	5.3
115.03963	1.9
119.08611	2.7
120.05753	1.7
121.06506	22.4
122.09690	2.9
123.08100	1.6
124.59841	1.4
125.09617	1.2
129.07025	1.2
133.06528	2.3
134.09644	1.7
135.08063	88.4
136.08458	2.7
136.11246	4.8
137.09648	2.2
143.63885	1.3
150.09131	2.5
151.03787	1.6
151.07613	2.2
152.10727	2.0
162.09253	1.5
162.12759	1.5
163.13300	1.4
164.14394	7.2
164.91676	1.7
165.09117	33.1
165.10420	2.6
166.09535	1.4
167.06970	1.4
168.10179	2.9
179.10640	2.0
180.13770	1.4
182.11818	8.3
202.12347	1.4
234.14857	2.2
236.16446	2.4
241.12459	1.4
248.15709	1.5
273.14841	61.9
274.15073	3.7
278.17572	1.4
279.14185	1.2
308.18558	5.3
315.15814	1.4
339.15811	2.1
340.15311	2.9
370.20154	2.5
388.21069	1.5
390.22540	1.6
408.18195	1.6
416.20535	3.2
434.21262	10.1
452.16672	32.3
452.22849	100.0
453.16876	3.8
453.23120	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	452.2642
Annotation	18-Hydroxy-14-O-methyl-gadesine
Peak:m/z	Relative Intensity
51.65081	0.5
51.66365	0.6
53.03932	0.9
55.01870	1.4
55.05508	1.6
57.02853	0.6
58.98413	0.6
67.05505	3.0
68.05013	0.8
69.03429	11.1
69.33194	2.2
70.06591	11.6
71.04993	4.4
78.30193	0.6
79.05479	4.9
80.05020	2.8
81.03444	0.6
81.07038	3.0
82.06573	0.8
83.01347	1.9
83.07369	0.7
83.08604	0.5
84.08149	3.6
85.02910	1.7
85.06547	1.1
85.51388	0.5
91.05487	1.6
93.07048	2.5
94.06573	1.9
95.04960	1.7
95.08620	2.6
96.08133	3.6
97.02905	1.1
97.06572	0.8
97.08919	1.8
98.22710	0.8
99.04459	2.8
100.11248	1.5
105.07014	3.0
106.06602	0.7
107.04953	3.2
107.08580	1.8
108.08146	1.8
109.06577	1.1
109.08900	0.8
110.05988	0.6
110.09678	3.7
111.08088	10.0
115.03942	2.1
115.05476	0.6
119.08530	0.9
120.08098	1.6
121.06485	0.9
122.09676	6.6
123.04434	1.5
123.08055	4.3
123.10454	0.8
124.08830	1.1
124.11211	2.0
125.05982	1.3
125.09653	1.2
127.03913	5.8
129.05467	1.0
131.08530	1.0
133.06506	1.8
133.10162	0.9
134.09625	1.4
135.08073	1.0
136.07590	0.6
136.11192	3.8
137.09593	1.2
137.12070	0.7
138.09152	0.7
138.12796	0.6
139.07544	2.1
141.05458	3.0
145.06471	0.6
148.11192	1.1
150.09135	3.4
150.12810	1.5
152.10677	2.6
153.09167	0.9
155.07011	0.8
159.08156	0.7
162.12759	3.9
164.14342	4.6
165.09151	1.5
167.07037	54.3
168.10213	2.2
170.11787	0.7
173.09576	0.9
174.12872	0.7
180.13835	1.0
182.11765	6.3
182.15445	1.0
183.06583	0.8
184.13324	2.7
189.09105	0.7
190.15929	1.9
192.17445	0.9
196.13370	1.5
198.09042	0.7
198.14909	3.2
201.09201	0.6
204.13843	0.9
208.13383	1.1
210.14919	0.8
218.15390	2.0
231.71246	0.6
233.11786	1.3
234.14868	2.3
236.16461	2.6
247.09644	3.1
248.16449	1.0
249.11287	0.7
250.18085	3.3
251.12791	16.4
264.19635	1.0
274.17984	0.7
278.21075	1.7
280.15524	1.3
286.91934	0.7
292.15955	0.7
292.18982	4.3
306.20578	4.3
308.18564	2.9
318.16956	1.9
320.18683	1.7
324.21643	3.4
336.17947	1.4
336.21744	4.6
346.20148	16.5
347.20590	1.0
360.18027	1.9
374.23331	0.8
388.21075	0.7
402.22794	0.8
416.20673	0.7
420.23804	8.8
434.25909	31.0
435.25693	1.9
452.21768	28.4
452.26355	100.0
453.22238	2.7
453.26782	6.6
453.33618	1.4
472.98132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05285	1.6
55.05507	15.0
57.03445	9.6
57.07063	4.0
59.04992	1.2
63.72070	1.3
67.05502	32.6
69.06758	1.6
69.07071	16.5
69.74081	5.2
70.51093	1.2
77.14409	1.3
78.78764	1.2
79.05492	8.9
81.07052	35.8
83.04954	1.9
83.08613	7.8
85.10191	1.4
89.06021	2.2
91.05499	6.6
93.07046	10.3
95.08599	31.2
97.06538	2.2
97.10149	6.0
98.98463	31.3
105.07016	3.7
107.08585	5.7
109.10125	12.5
111.08028	2.1
111.11705	1.5
119.08553	2.7
121.10136	3.8
123.08089	1.7
123.11684	5.1
133.10124	4.5
135.11708	3.4
137.13260	4.0
147.11638	2.7
149.02286	1.6
149.13220	2.0
151.14786	1.4
155.01036	16.7
161.13254	3.1
163.13316	2.4
163.14735	2.5
173.02097	4.6
245.22716	7.8
263.23685	18.1
264.23926	1.7
317.19662	1.4
337.27347	100.0
338.27588	5.0
452.22217	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	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.8
57.03437	7.0
57.07076	1.9
65.03940	1.6
67.05505	31.3
67.05868	1.9
69.07062	15.1
70.96828	1.5
72.27311	1.1
79.05485	8.1
81.06573	1.7
81.07056	31.5
83.08620	9.7
91.05477	5.2
93.07042	7.5
95.08611	24.1
97.06538	2.5
97.10167	4.9
98.98473	29.9
105.07026	4.0
107.08613	4.4
109.10162	11.8
111.08144	1.8
119.08581	3.6
121.10141	5.4
123.11718	4.1
133.10132	3.7
137.13316	1.6
147.11748	2.8
149.13229	1.5
155.01030	16.2
161.13303	3.0
163.14804	2.1
167.48657	1.3
173.02138	5.7
175.14801	1.8
189.16411	1.8
213.27098	1.4
245.20508	1.5
245.22609	7.5
263.21198	2.2
263.23688	16.1
295.74091	1.3
301.16449	1.4
337.27359	100.0
338.27621	7.0
381.83295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05515	12.4
57.03440	7.9
57.06818	0.4
57.07076	5.3
65.03928	0.4
67.05503	9.1
67.05866	0.5
69.07068	18.1
69.33430	0.9
69.33835	0.5
70.07398	0.2
71.04985	1.0
71.08630	2.8
73.06537	0.4
79.05494	4.1
81.07056	10.7
83.01328	0.4
83.04967	0.7
83.08622	11.5
85.06551	1.1
85.10178	0.8
91.05462	0.9
93.07048	5.5
95.08609	10.2
97.06548	1.8
97.10171	7.1
98.98451	0.8
99.08099	0.4
101.41408	0.3
105.07017	0.6
107.08594	3.5
109.10159	3.5
111.08097	1.3
111.11741	1.7
111.12372	0.3
121.10147	5.7
123.11680	1.6
124.01598	0.5
125.09621	0.6
135.11690	3.5
137.13260	0.9
139.11176	0.7
143.82326	0.2
149.13255	1.7
150.40651	0.2
153.12772	0.4
153.61655	0.2
163.03909	0.8
163.14816	0.5
177.16426	0.3
180.52197	0.3
182.11874	0.3
207.06525	1.1
216.06386	0.5
219.21062	0.9
234.14754	0.3
237.22060	1.3
280.26337	2.1
308.18530	0.4
311.25787	100.0
312.26147	4.3
337.45459	0.3
354.27390	0.4
381.49338	0.2
452.16888	0.8
452.22443	4.5
453.16779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05506	0.7
56.05034	0.4
56.96564	18.9
67.05505	1.6
68.05035	0.4
69.03428	4.1
70.03770	0.3
70.06586	5.1
71.04987	4.9
79.05499	1.4
80.05009	2.6
81.07069	1.1
82.06569	0.8
83.01334	4.2
84.01686	0.3
84.08138	3.5
84.95993	0.7
86.09713	0.6
89.03911	0.5
90.52267	0.3
91.05489	1.4
93.07047	1.6
94.06556	2.5
95.04958	1.1
95.08604	2.1
96.08126	3.2
97.06526	0.5
97.08936	0.7
98.06055	0.5
98.97578	4.8
99.04442	0.6
105.07036	1.2
107.08595	1.0
108.08121	1.1
109.06478	0.5
110.09671	2.0
110.97594	0.5
111.08076	7.2
112.07621	0.3
112.08407	0.9
112.99126	2.0
115.03930	1.8
116.98624	1.4
117.03368	0.8
119.08585	1.2
120.08099	1.3
121.06484	0.5
121.10181	0.4
122.09658	4.5
123.04430	1.4
123.08076	1.2
123.09909	0.5
124.07585	1.0
124.11221	2.0
124.99115	3.4
125.05986	1.0
125.11574	0.3
126.09124	0.4
127.03951	0.6
128.98581	0.4
131.00168	1.9
132.08139	0.5
134.09656	1.9
135.04414	1.9
135.08086	0.5
135.09923	0.4
136.07539	0.6
136.11206	6.3
137.05952	0.5
137.09641	0.6
137.11539	0.6
139.00694	1.4
139.03917	0.7
139.07545	0.7
141.02255	3.0
143.00159	6.3
143.03412	1.6
143.08694	0.3
145.01772	0.3
145.02835	0.9
148.11185	0.8
149.01204	0.8
150.09148	3.9
151.00688	0.7
151.07492	0.4
151.09431	0.7
152.10713	2.4
154.12265	0.8
155.07034	1.4
156.07552	0.3
157.01723	0.9
157.08607	0.4
158.99686	0.4
159.03313	4.1
159.08012	0.4
160.11223	0.6
161.01218	4.1
161.05997	0.5
162.09140	0.8
162.12782	2.0
163.00647	0.3
163.03889	4.1
163.13268	0.7
164.10699	0.7
164.14357	9.7
165.05466	0.4
165.14697	1.7
167.00140	1.5
168.10172	3.4
168.98152	0.3
169.01711	3.4
169.10564	0.6
170.11786	0.9
170.99721	0.7
172.99146	0.5
175.00652	3.0
176.10672	0.5
176.14363	0.7
176.98560	0.4
177.04294	0.4
178.15971	0.4
179.02353	0.4
180.10170	0.4
180.13885	1.3
182.11757	10.4
182.15309	1.4
183.06450	0.6
183.12099	2.4
184.13365	1.1
185.01212	4.2
186.99156	0.7
187.02751	3.8
189.00768	1.2
189.09230	0.4
190.12305	0.5
190.15926	1.3
191.00162	1.3
193.01715	4.9
194.11813	0.3
194.99681	1.8
195.16135	0.4
197.07991	0.6
200.09242	0.7
203.02260	5.5
205.00223	0.6
205.03883	0.9
206.99611	0.3
208.13345	1.2
208.16965	1.3
209.01181	2.7
210.14937	0.7
211.02753	4.5
213.00690	4.1
218.15556	0.4
218.99564	3.0
220.13257	0.5
221.03310	2.3
227.02333	0.9
229.03836	1.0
231.01753	7.2
234.14886	3.6
235.15266	1.4
236.12895	0.6
236.16438	3.7
237.00684	8.9
237.16806	1.0
246.14909	0.7
247.09677	1.2
248.16412	0.4
249.02858	5.0
255.01749	26.9
256.02161	0.6
260.16473	0.6
262.17990	1.2
263.18390	0.5
264.19464	0.6
265.10699	0.8
267.03845	0.8
273.02808	22.9
278.03302	0.5
278.17575	1.3
279.17886	0.4
280.19135	0.6
291.03931	0.7
292.18991	1.0
293.19443	0.3
305.03394	0.4
308.18503	6.0
308.21829	0.5
309.18887	2.8
320.18555	0.5
323.04364	1.9
331.04996	0.4
347.04413	0.7
349.02258	0.4
349.06000	1.6
354.19141	0.9
357.03033	0.3
360.18100	1.0
361.18472	0.5
364.17560	0.4
365.05408	1.2
367.03229	1.8
375.03879	2.2
378.19064	1.1
390.22827	0.7
393.04907	6.8
406.22375	0.6
411.05957	13.1
412.06479	0.4
416.20648	0.9
417.20880	0.9
420.20352	0.4
429.07080	9.3
429.12915	0.5
430.07639	0.5
434.21664	9.2
435.22067	6.5
436.23169	0.4
452.22745	100.0
453.06775	4.2
453.23093	57.0
454.24008	1.6
471.08240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2823
Annotation	Ala-Leu-Leu-His
Peak:m/z	Relative Intensity
51.61652	0.7
57.07077	1.1
61.41016	0.6
68.16988	0.8
68.21928	0.6
68.35740	0.6
69.00442	0.6
69.88627	0.6
95.08638	1.0
100.11272	0.8
124.52644	0.6
190.87727	0.7
262.66507	0.7
298.60297	0.7
453.28220	100.0
454.28568	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	453.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19540	0.6
54.32347	0.5
55.05509	0.6
57.07066	1.8
67.05504	0.6
68.64912	0.7
71.12282	0.8
77.59527	0.5
81.07059	1.0
83.75729	0.5
85.10175	0.6
95.08623	0.7
139.84471	0.5
141.72385	0.6
148.78096	0.5
155.01001	0.7
338.27802	1.0
355.28500	1.4
366.17740	0.7
445.46033	0.6
453.17508	2.0
453.31860	100.0
454.32156	5.1
470.35681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24020	0.9
55.05504	0.8
57.42302	0.8
70.06590	8.0
73.80917	0.7
78.72345	0.7
85.92856	0.7
98.06126	0.8
100.11279	1.4
121.74927	1.0
132.58929	0.8
134.09636	1.0
135.08101	1.0
137.06021	0.9
145.08852	1.7
151.03703	1.2
158.09737	1.3
161.13210	0.7
165.05270	3.0
169.15137	0.8
172.11287	1.1
173.12035	2.8
185.08139	3.0
186.08826	1.4
195.11360	1.4
200.10735	3.0
201.11578	2.7
202.12309	2.2
216.13847	4.9
238.12039	1.9
239.12796	1.0
242.15503	1.2
243.64026	1.3
264.13608	3.5
265.14450	1.2
271.11969	2.5
292.16632	1.0
299.14941	1.1
304.15457	4.1
326.13782	2.6
327.14377	3.2
328.15454	7.7
350.13559	1.8
392.17944	1.6
408.17435	1.0
422.22000	2.5
435.86169	0.8
436.17468	3.6
454.18359	100.0
455.18918	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	454.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.96589	0.4
58.06598	0.6
60.04535	0.5
66.77214	0.4
66.84318	0.3
67.05492	1.3
68.05035	0.7
69.03427	0.8
70.06583	1.1
70.38626	0.7
71.04989	1.9
73.74197	0.4
79.05493	1.8
80.05013	2.9
81.03439	0.4
81.07043	1.6
83.01330	2.8
85.06515	0.4
86.06064	0.8
91.05479	1.0
91.31528	0.3
93.07051	1.5
94.06545	0.5
95.04963	1.0
96.08110	0.6
97.02894	0.4
98.06037	0.8
98.97549	0.3
105.04549	0.4
105.07036	0.7
106.06567	0.7
107.04950	0.9
108.08102	0.4
109.06512	1.1
111.08102	0.7
112.07599	0.9
113.08386	0.7
115.03930	1.8
116.09345	0.3
117.07029	0.6
118.06515	0.5
119.08566	0.3
120.08108	1.3
121.06492	0.9
122.09676	1.9
123.08031	0.6
124.03981	0.7
127.03904	0.9
129.06972	0.4
130.06509	0.4
131.04947	0.8
131.08592	0.5
133.06485	0.6
134.09659	1.0
135.08063	0.5
137.05939	0.4
139.07510	0.7
140.04608	0.4
140.10675	0.7
143.03407	0.9
143.08633	0.4
145.06468	0.7
145.10146	0.5
147.08054	0.5
148.11189	1.9
150.09123	0.8
152.10703	1.6
153.52922	0.4
155.07068	2.2
155.08127	0.3
159.08078	0.6
160.11237	0.9
161.05934	0.5
163.03912	0.4
164.04187	0.4
166.08626	0.4
167.07037	0.8
168.10216	0.4
169.40108	0.4
172.11249	0.6
173.09613	0.4
175.07600	0.4
176.10709	0.6
177.09093	0.6
179.10619	0.4
181.05042	0.4
207.06720	0.6
210.11217	3.3
218.11781	0.9
236.12860	0.6
237.00841	0.4
246.14790	0.5
278.17633	0.6
282.16861	0.6
310.16516	2.9
312.18164	0.5
410.21738	0.8
422.18341	0.5
436.19550	2.9
454.20691	100.0
455.15317	0.6
455.21039	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	454.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05511	1.9
57.03428	1.8
58.39536	0.5
61.02917	1.8
66.85263	0.6
67.05505	1.3
69.03434	6.4
69.21578	2.8
71.04985	2.7
71.08624	2.9
73.02934	1.1
77.03958	0.6
78.26708	0.6
79.05505	3.4
81.03432	3.8
81.07066	7.5
83.08615	1.6
84.43005	0.5
85.02906	16.3
87.00837	3.2
91.05478	2.7
95.04943	1.0
97.02891	6.4
99.04474	1.7
99.08085	3.1
100.11292	3.2
103.05460	2.7
105.01866	2.6
105.07037	10.6
107.04953	1.0
107.08629	0.6
109.02900	3.7
109.06522	8.5
109.10155	4.9
111.04449	1.2
119.04968	1.2
120.05711	1.1
121.06507	1.2
123.04436	5.1
127.03932	6.4
127.11198	1.1
133.06499	0.8
135.04382	0.9
135.08058	4.1
137.05983	33.8
139.07553	1.4
145.04961	4.5
145.12236	10.3
150.06772	3.1
151.07558	10.7
152.08295	1.0
153.09116	1.5
155.79829	0.6
159.02910	1.0
165.09122	46.1
166.09431	1.4
170.03452	0.7
171.13792	2.1
182.15428	0.9
189.14868	4.2
210.14929	2.2
231.05196	0.9
243.10139	0.8
250.04556	0.6
275.12787	100.0
276.13071	3.7
285.11234	1.8
287.12799	1.3
299.12830	0.7
341.13956	1.0
343.30695	0.7
353.13907	1.5
383.15076	0.8
389.81528	0.8
390.31345	1.1
454.34903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.2
55.05515	3.8
57.03437	2.6
61.02921	1.3
64.95084	1.1
65.03922	1.3
69.03429	5.4
69.07066	4.7
71.04978	1.7
73.02908	1.5
79.05486	2.2
81.03407	2.9
81.07066	3.0
83.01347	1.0
83.08630	3.8
85.02906	12.7
85.06526	1.9
87.00849	2.1
91.05484	20.7
95.08595	1.4
97.02895	4.7
97.06530	2.4
97.10180	4.3
99.04491	2.0
100.11298	1.5
105.01869	3.5
105.07054	6.7
107.04978	1.9
107.08677	1.3
109.02859	2.8
109.06501	1.4
109.10168	1.3
111.04458	4.5
111.11763	1.9
111.85960	1.0
113.06046	1.2
115.03967	2.1
119.04948	35.1
121.06512	5.2
127.03931	5.8
133.06505	9.5
135.08083	1.7
137.05968	3.2
139.07584	5.5
141.07027	5.3
145.04974	4.3
145.06126	0.9
145.12259	1.0
147.07977	1.2
149.05998	3.0
151.07564	1.8
158.28830	1.0
161.09639	2.2
163.07535	1.3
164.08337	2.3
165.07013	1.0
171.17470	4.7
182.07224	1.7
184.37883	1.0
197.09604	3.8
210.06729	1.4
225.09123	2.7
226.09979	2.0
242.09460	2.4
243.10262	1.1
257.11740	100.0
258.12082	5.9
292.19037	1.3
302.58179	0.9
333.13220	3.5
345.64926	1.0
387.65121	1.1
404.21207	1.7
453.73212	4.1
454.24094	5.9
454.73325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05519	1.1
57.03434	1.4
61.02922	1.4
65.23037	0.9
69.03431	5.0
70.06236	1.3
70.06596	16.8
73.02908	1.5
79.05502	2.0
81.03416	1.3
81.07069	1.5
82.06581	1.1
84.08145	1.2
85.02910	13.7
87.04461	1.4
91.05483	6.8
93.07045	4.3
95.04921	1.4
97.02886	5.1
98.06048	2.1
99.04450	1.1
100.11285	6.5
101.11575	1.1
103.05462	4.3
105.07054	1.9
107.04953	3.5
108.05739	1.7
108.65876	1.0
109.02860	1.0
109.06516	3.2
111.08091	1.6
119.04967	2.9
121.06513	3.6
123.08078	7.4
125.05984	1.9
126.05505	2.7
127.03951	2.4
132.58910	1.5
133.06503	4.5
135.08081	1.5
136.05193	15.4
137.05983	19.1
145.04970	3.6
151.07541	100.0
152.07939	2.5
161.06070	1.1
163.11163	1.0
175.07588	2.7
180.69653	1.1
182.15410	3.2
195.11304	1.9
203.07080	1.5
210.14940	2.3
210.55850	1.1
227.13911	1.5
229.64323	1.2
243.10333	2.6
243.63960	4.2
275.12772	94.0
276.13190	2.7
282.13776	1.2
287.12863	1.1
292.16574	3.9
292.66788	1.3
299.12781	4.0
311.12796	1.2
341.13776	3.0
383.15088	1.1
389.21811	1.9
444.83679	1.6
445.34711	1.2
453.84323	3.5
454.17969	16.8
454.24121	12.3
454.34531	3.3
455.18494	1.6
455.25085	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	454.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.1
56.05027	8.2
57.06863	2.2
57.07076	25.5
57.52668	2.3
62.42745	2.5
67.05498	4.1
69.03423	8.3
69.48360	5.7
69.48714	5.1
70.06599	4.8
71.01437	2.4
79.05504	7.0
81.03418	4.0
81.07061	5.7
83.01344	11.9
83.08612	7.4
85.02916	12.3
85.06545	10.6
86.06074	2.8
91.05455	5.3
93.07068	2.8
94.78149	2.6
95.08629	3.5
97.02905	7.0
97.06510	3.9
97.10141	4.1
100.11264	12.2
105.07040	6.2
107.04897	3.4
107.08572	4.3
110.06035	3.7
110.09724	2.7
111.08069	5.6
115.03933	9.8
117.07063	4.1
120.08090	3.9
124.07533	3.2
125.06081	3.4
127.03905	8.5
129.06995	4.8
131.08487	3.8
132.08067	4.2
133.06447	3.5
137.05989	4.7
138.09114	2.4
139.15738	2.3
139.92020	2.3
140.36037	2.5
141.31784	2.3
142.08678	3.6
143.08563	2.8
144.08047	5.0
145.04924	3.5
145.10153	4.3
146.09656	4.3
147.07971	2.8
148.07532	3.7
149.09550	3.2
150.09148	10.2
150.38930	2.4
153.07104	3.0
155.08466	4.0
157.10152	5.8
158.09662	5.9
159.08072	6.2
162.09140	4.9
165.09105	8.5
167.07063	29.5
167.08513	6.8
169.10153	3.8
171.13785	2.6
173.09581	3.8
174.09190	8.1
175.11169	3.0
176.07025	3.0
178.08611	35.9
179.09331	2.9
180.10318	4.0
181.08994	2.9
182.09589	6.1
182.15445	7.9
183.08026	3.4
184.07515	3.9
184.11186	9.0
185.09775	3.3
185.11934	2.9
186.09093	4.8
186.12793	6.0
194.08060	3.1
194.09714	3.1
195.08209	4.1
197.08258	5.3
198.09023	2.8
199.09888	7.8
200.10683	4.1
201.09125	5.8
201.11426	4.2
202.08591	3.9
202.12259	9.2
204.13982	3.4
205.08626	3.7
207.10210	2.6
209.16478	4.3
210.09140	3.9
210.14845	10.0
212.10725	10.4
213.09161	3.3
214.12267	34.6
215.07242	3.1
215.10864	4.0
215.12613	2.4
216.13730	3.1
217.08563	4.1
217.12366	3.3
219.10201	3.0
228.10178	12.3
229.08652	4.7
229.10849	4.4
230.11768	32.1
232.13264	6.6
233.11574	3.2
234.14923	3.6
240.10214	6.5
242.11757	4.5
244.13316	9.6
246.11287	3.4
256.09665	8.3
258.11194	7.5
260.12839	25.7
262.14346	9.3
270.11154	2.8
272.12872	18.5
274.10757	11.0
275.12790	12.1
278.13919	25.9
280.15494	12.3
288.12299	16.9
290.13876	5.1
293.42484	2.9
296.14893	3.4
298.10587	2.8
302.10208	69.5
306.13461	17.8
308.14777	7.4
314.17563	6.8
316.11777	21.5
324.14273	14.2
326.16153	3.3
334.12823	81.1
335.13229	5.3
352.13943	48.5
362.19473	7.0
364.21384	3.5
370.15012	7.0
372.18362	3.6
374.19644	42.8
390.18967	14.2
408.20203	25.3
418.18475	9.2
436.19684	100.0
436.31769	4.1
437.19882	8.2
437.31342	2.9
454.20596	43.2
454.32635	17.6
454.73300	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	454.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01868	7.0
55.05521	8.7
57.03444	13.1
57.07076	9.5
66.31054	1.5
67.05508	8.4
68.98113	1.8
69.03434	8.9
69.07075	7.9
69.17155	8.3
71.04984	2.8
71.72153	1.5
79.05495	4.6
81.03442	7.3
81.07062	13.5
82.06637	1.8
83.04984	7.3
83.08626	4.6
85.02899	13.1
85.06545	8.6
87.00837	4.8
90.43665	1.6
91.05497	3.5
93.07057	10.8
95.04962	7.2
95.08611	4.7
96.08204	1.8
97.02900	14.8
97.06550	4.5
98.23437	3.3
99.04421	2.3
99.08109	19.3
100.07630	4.2
101.06002	1.5
105.01897	4.3
105.07051	3.5
107.04959	2.4
107.08617	5.0
109.02898	4.7
109.06546	3.5
109.10173	22.9
111.04444	24.1
111.08080	8.1
113.06021	2.1
115.03950	4.1
119.08600	3.2
121.06514	12.1
121.10153	2.2
122.09620	1.8
123.08057	1.6
124.07600	2.6
125.06012	3.7
125.09644	4.8
127.03932	11.1
127.11196	19.3
131.08598	3.8
133.06606	1.8
133.10101	1.9
135.11711	1.8
137.05937	1.6
139.07536	7.2
145.04948	3.8
148.19553	1.6
149.06000	2.5
149.09612	20.5
150.09106	2.7
151.11203	2.9
152.10765	3.3
153.09067	1.5
153.12723	11.4
155.07059	3.4
155.14314	36.1
156.14719	1.8
159.02873	2.9
166.08665	3.8
167.10756	1.6
168.10330	2.2
169.12308	2.1
171.13806	23.2
175.11275	2.0
177.09154	5.3
177.12769	1.8
180.10303	1.9
195.10161	25.4
195.11749	2.2
195.13837	3.7
220.13432	1.9
222.11360	4.6
266.13895	3.2
275.12836	1.9
295.41440	1.7
339.14325	2.2
353.21814	1.5
357.15430	2.1
375.16422	2.9
410.21857	10.2
436.23480	3.0
454.24472	100.0
455.25198	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35547	1.8
53.03944	8.3
55.01868	9.5
55.05505	3.2
57.03444	11.3
57.07082	5.0
61.02919	6.3
67.05492	6.6
68.99804	2.6
69.03434	31.3
69.07067	3.5
69.16704	9.0
69.17113	3.8
71.04998	19.3
71.08642	21.6
73.02911	6.1
81.03419	31.4
81.07059	3.5
83.07349	3.2
83.08612	6.8
85.02911	100.0
87.00832	43.1
87.04442	2.6
95.08585	3.2
97.02335	3.5
97.02901	35.4
99.04475	14.4
99.08089	28.6
100.11257	4.4
105.01868	51.6
109.02885	28.7
109.10171	38.9
115.03944	2.6
117.01837	2.7
126.09200	2.2
127.03922	67.3
127.11208	15.3
129.01843	2.9
145.04955	29.5
145.12242	94.0
159.02850	12.9
169.12268	2.9
171.13828	12.9
182.15392	7.7
189.03885	2.5
189.14861	27.1
193.11966	1.9
204.13884	2.6
210.14870	7.1
211.13225	2.4
213.04019	6.6
231.04974	20.9
235.13184	4.6
249.06050	5.8
250.18028	3.8
279.16162	3.4
357.15436	9.7
375.16324	7.2
454.18076	2.3
454.23483	35.8
454.33124	4.6
454.73267	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	454.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.05518	0.5
60.63303	0.3
67.05504	0.9
69.03431	5.7
69.34587	1.2
69.34995	0.6
70.06594	8.3
71.04995	2.2
71.96593	0.3
79.05459	0.4
80.05026	0.6
81.07058	0.9
81.19579	0.3
82.06585	0.5
84.08150	1.4
86.06060	0.3
91.05486	0.6
93.07056	1.0
94.06569	1.4
95.04978	0.6
95.08601	1.7
96.08120	2.0
97.02916	0.6
97.08916	0.8
98.06049	0.6
98.22749	0.7
99.04455	0.7
102.61334	0.3
105.07032	0.7
107.08596	0.5
108.08157	0.8
110.09673	1.2
111.08083	20.7
111.10423	0.4
112.08440	0.4
113.09689	0.4
117.84906	0.4
119.08598	0.9
121.10114	0.3
122.09655	2.9
124.11247	1.6
125.06006	0.5
125.09690	0.4
125.12116	0.3
127.03934	1.7
129.05470	2.1
134.09686	1.3
136.11250	3.2
138.12746	0.8
139.07539	2.3
140.08315	0.6
146.09682	0.5
147.11755	0.3
148.11259	0.8
150.09175	1.5
150.12738	0.7
152.10704	2.2
154.12218	0.7
160.11276	0.3
162.09196	0.4
162.12808	1.0
164.14352	1.6
167.07088	1.0
168.10216	1.0
170.11800	1.9
178.15912	0.8
180.13850	1.5
182.11771	4.9
182.15422	1.1
183.06575	1.0
184.13348	1.0
190.15970	0.6
192.13802	0.4
194.15366	0.6
195.16217	0.7
200.12891	1.0
202.12189	0.4
206.15504	0.6
207.10202	0.6
208.16986	1.4
220.19902	0.4
234.14886	3.4
236.16536	1.0
244.17047	0.6
248.16550	0.5
251.63823	0.4
252.15901	0.5
262.18069	1.4
264.19720	0.5
266.60101	0.4
267.12311	1.0
274.18069	0.4
280.19150	0.8
290.17551	0.5
308.18564	10.9
326.19629	5.4
338.19571	0.6
362.19598	2.4
418.22333	2.7
429.27859	0.4
436.23294	12.7
437.23856	0.9
454.24356	100.0
455.24670	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	454.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
67.05507	1.7
69.03430	5.9
70.06590	100.0
71.05002	1.5
71.06917	4.4
71.46187	0.8
77.03941	0.7
79.05496	3.0
80.05025	4.1
81.07070	2.3
83.04987	1.6
85.02904	3.9
86.06065	0.9
86.38190	0.7
91.05479	65.2
91.73959	0.7
93.07046	2.0
94.06576	2.6
95.04976	1.2
95.08591	1.3
96.08140	1.2
97.02884	6.5
97.06514	1.6
98.06042	9.5
99.04503	0.9
105.03387	18.6
105.04476	1.0
105.07040	2.4
107.08578	7.1
109.06538	1.5
109.08901	1.0
109.10149	1.9
110.09695	1.0
111.04427	0.7
111.08052	1.0
112.07641	0.7
115.05454	1.5
117.07048	2.0
120.08136	1.1
122.09647	8.9
123.08122	1.0
124.11192	0.8
125.05958	1.7
125.09634	5.5
126.05509	10.0
128.07100	0.8
130.08626	6.1
132.58905	9.0
133.06493	0.7
133.09047	2.0
134.09663	2.0
135.08072	5.4
136.11212	1.4
137.05992	2.0
138.09178	0.9
139.07542	0.8
148.11224	0.7
150.09164	9.5
150.12772	2.0
151.07518	6.2
151.09479	0.7
152.10704	11.6
153.09091	5.3
161.06006	1.2
164.10739	2.2
165.05453	5.4
167.11807	3.7
168.10179	6.4
180.10170	0.9
181.11523	5.2
181.61739	1.1
182.11766	0.8
186.11310	2.9
192.10223	1.5
192.13864	0.8
195.11276	14.2
196.08861	1.2
196.11592	1.4
204.13928	0.7
211.11143	8.2
213.12379	0.9
216.13818	1.2
220.13326	3.1
222.14958	1.0
223.73503	0.8
227.13876	7.3
228.14262	1.4
229.64301	1.1
232.13425	1.0
234.14902	2.9
238.14366	0.9
239.10611	4.3
243.63922	20.3
243.66339	1.3
244.14136	6.5
246.14868	2.1
246.49825	0.7
248.12840	2.0
251.12837	1.1
251.63638	1.3
257.11710	44.3
258.12082	2.8
264.17139	1.6
266.13687	1.4
274.17947	1.1
284.11255	0.8
292.16516	21.1
292.66672	5.6
293.16827	1.8
300.16248	1.2
316.19165	1.0
320.18649	2.8
324.19083	1.2
340.69162	1.9
356.20935	1.2
361.22372	2.8
362.19479	7.9
362.22897	0.7
389.21744	8.0
390.22574	5.7
418.22305	6.1
436.23224	17.3
437.23352	1.2
454.24310	79.1
455.24792	5.3
458.27191	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05507	0.7
59.04986	0.3
67.05497	0.8
69.03426	5.1
70.06579	6.4
71.04993	2.3
79.05500	0.9
80.05029	1.2
80.79427	0.3
81.07047	1.1
82.06571	0.9
83.04989	0.4
83.46713	0.3
84.08145	1.3
85.02905	0.9
91.05482	0.7
93.07052	1.3
94.06564	1.2
95.04990	0.8
95.08606	1.4
96.08130	2.7
97.02898	0.6
97.06550	0.9
97.08904	1.2
98.05956	0.4
98.23397	0.5
99.04451	0.7
105.07026	0.6
107.08598	0.8
108.08135	1.0
109.10126	0.4
110.09695	1.5
111.08086	23.5
113.09664	0.4
115.03944	0.7
120.08133	0.4
122.09684	2.2
123.10512	0.4
124.11268	2.2
125.05981	0.9
125.09663	0.6
125.34454	0.3
127.03934	1.7
129.05479	3.0
134.09660	1.4
135.08046	0.4
135.10463	0.4
136.11183	3.1
137.06009	1.5
137.12094	0.3
138.06361	0.8
138.12781	0.7
139.07521	2.3
140.08345	1.0
145.04964	0.7
148.11316	0.6
150.09126	2.0
150.12790	0.5
152.10698	2.0
153.12675	0.4
158.96460	0.3
160.11235	0.4
162.12798	1.2
164.14368	1.6
166.12402	0.6
167.07047	1.0
168.10239	0.7
170.11823	1.8
173.09689	0.4
176.14328	0.5
180.13895	1.4
182.11777	6.1
182.15359	0.8
183.06569	1.1
184.13347	1.0
192.13838	0.5
195.16182	0.9
196.13351	0.5
200.12823	1.1
206.11887	0.4
207.10112	0.7
208.13402	0.6
208.16969	1.3
210.14928	0.5
216.13974	0.6
234.14859	3.5
236.16553	0.6
242.09015	0.6
262.18097	0.7
264.19604	0.6
267.12222	1.7
280.19144	1.1
290.17590	0.8
294.17249	0.5
306.16983	0.5
308.18518	13.2
309.18890	0.5
326.19617	5.9
327.19720	0.4
338.19528	0.5
362.19583	3.1
418.22388	2.7
419.21716	0.4
436.23315	13.9
436.29242	0.8
437.23392	0.9
454.24368	100.0
455.15289	0.8
455.24686	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	454.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
56.96566	3.5
67.05502	0.4
69.03432	2.1
70.06600	2.1
71.05002	0.6
71.13148	0.3
72.08166	0.3
79.05508	0.9
80.05020	0.8
81.07037	0.4
82.06595	0.5
83.01385	0.3
83.04985	0.5
84.08140	0.8
85.02908	0.4
86.06071	1.1
86.09694	0.3
91.05468	0.8
93.07053	1.0
94.06564	1.1
95.04969	0.5
95.08624	0.6
96.08131	1.1
97.06530	0.3
97.08920	0.7
98.06032	0.4
98.97575	0.6
99.04469	0.3
105.07031	1.0
106.06536	0.4
107.04958	0.7
107.08579	0.5
108.08118	0.8
109.08894	0.8
110.09685	0.4
110.84116	0.2
111.08083	3.2
112.07605	0.3
113.76477	0.2
116.29098	0.3
117.07009	0.5
119.08608	0.9
120.08112	1.0
122.09689	1.0
123.08075	0.6
124.11233	0.2
124.99136	0.4
125.06004	0.8
127.03910	0.5
129.07001	0.3
131.08563	0.4
132.08142	0.3
134.09641	1.0
134.24950	0.3
135.04393	0.3
135.08102	0.4
136.11235	0.7
137.12012	0.4
138.09163	0.4
139.03900	0.3
139.07562	1.2
140.98488	0.3
141.05487	0.3
142.07802	0.2
143.00165	0.5
144.00488	0.4
145.10132	0.6
146.09695	0.3
147.08031	0.3
147.11711	0.3
148.11218	0.7
149.09700	0.3
150.05518	0.5
150.09171	0.8
150.12814	0.5
151.07501	0.3
152.10757	0.4
153.05431	0.3
155.03418	0.5
155.08601	0.4
159.03302	0.6
160.11249	1.0
161.01260	0.5
161.09758	0.3
161.12062	0.2
162.09111	0.3
162.12802	0.6
163.03929	0.5
164.01996	0.2
164.10754	0.8
164.14366	0.5
165.09087	0.3
165.15158	0.4
167.07037	4.7
168.10277	0.8
169.01732	0.4
170.99663	0.3
173.09697	0.6
174.12776	0.6
175.00682	0.3
175.11174	0.3
176.00919	0.2
176.10767	0.5
177.12880	0.3
178.12318	0.7
178.15906	0.7
180.13857	0.7
182.11784	1.7
183.06639	0.3
184.11220	0.3
185.01271	0.4
186.01656	0.4
190.12263	0.4
194.02127	0.5
194.99527	0.4
196.09648	0.7
197.08110	1.1
200.10950	0.3
200.12888	0.7
201.09238	0.3
203.02306	0.5
204.02669	0.3
206.15446	0.8
209.01270	0.3
211.02747	0.5
212.03204	0.4
213.00658	0.4
216.13861	0.4
220.00034	0.3
221.03383	0.4
222.03716	0.3
223.13203	0.4
231.01860	0.8
232.02103	0.5
232.13356	0.4
233.11780	0.5
234.14842	0.4
237.00558	0.6
238.01147	0.8
246.15105	0.3
249.02832	0.5
250.14452	0.4
252.15942	0.5
254.15448	0.3
255.01732	2.2
256.02133	2.6
260.16425	1.3
262.18066	0.4
264.16135	0.5
268.16898	0.4
273.02789	2.2
274.03229	1.9
278.17545	0.7
290.10306	0.3
294.17264	0.4
306.16995	1.1
308.18494	0.4
320.18588	0.7
324.04614	0.3
324.19446	0.3
330.17004	0.8
332.18716	0.3
336.18073	0.4
338.19635	2.2
344.18576	3.0
345.19016	0.4
362.19589	6.0
363.20206	0.3
368.18607	0.5
374.19717	0.7
392.20758	0.9
393.22665	0.3
394.05197	1.4
400.21387	0.7
404.20828	0.3
412.06476	2.7
418.22250	4.0
430.07565	1.7
436.23312	23.1
437.23703	1.2
454.24368	100.0
455.24753	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	454.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37149	0.4
53.03943	0.5
55.01871	1.5
55.05516	5.2
56.05019	0.5
56.96603	0.4
57.03445	0.8
67.05500	2.6
69.03436	6.1
69.07078	0.8
70.52102	0.5
71.04999	1.1
77.25924	0.4
79.05499	2.0
80.05006	0.9
81.03393	0.6
81.07059	2.1
82.06601	1.4
82.94310	0.5
83.04990	2.9
84.04491	0.5
85.02914	1.7
85.06541	1.3
91.05480	2.5
93.03429	1.3
93.07050	9.0
95.04974	4.0
95.08635	1.1
96.08125	0.7
97.02890	7.3
97.06525	0.9
99.08104	0.7
100.07623	3.6
101.06051	1.0
104.67510	0.4
105.06454	0.5
105.07027	2.7
107.04964	0.9
107.08600	2.2
109.02843	0.6
109.06544	1.3
109.10154	1.0
110.06057	1.9
110.09727	0.6
111.04448	23.5
111.07266	0.5
111.08096	6.6
113.06048	0.6
115.03949	0.9
117.07038	0.5
119.08630	0.8
121.06509	10.9
121.10128	1.4
122.09664	2.0
123.08105	1.1
124.07622	1.4
124.08920	0.7
125.06007	2.2
125.09651	2.2
127.03905	0.6
127.07536	0.6
127.11214	1.0
131.08569	2.9
133.06516	1.4
133.10136	1.6
134.09636	0.5
135.08043	1.0
137.06058	0.8
138.09154	2.6
139.03914	2.7
139.07535	7.0
142.12286	0.5
143.10739	0.5
145.04984	0.7
149.06004	1.6
149.09624	26.2
150.09129	2.4
151.07545	1.1
154.58685	0.4
155.14320	1.8
159.08083	1.0
164.10764	2.3
165.09125	0.9
166.08626	3.7
167.07101	1.4
167.10735	2.1
168.10179	1.1
170.11774	0.6
171.10236	1.7
171.13832	1.3
174.84839	0.5
175.11217	1.4
177.09103	5.6
178.08675	0.5
178.12296	1.5
182.11813	1.0
184.09755	1.4
192.10213	1.3
192.13844	0.5
193.12262	0.5
194.11729	0.9
195.10175	30.2
196.09715	0.8
198.11263	0.8
202.12346	0.7
204.10167	0.7
206.11798	1.7
206.34668	0.5
210.11270	1.4
216.12326	1.2
220.13350	2.4
222.11266	6.3
224.12834	0.6
248.12895	1.3
266.13968	2.3
277.09433	0.6
280.15454	0.5
298.16446	0.5
304.15585	0.5
318.17007	1.0
332.18741	1.5
336.18130	0.9
362.19757	0.9
364.21411	0.8
378.19159	1.0
380.20554	0.8
392.20761	1.3
404.20670	1.0
410.21698	10.9
411.22064	0.7
436.23468	1.7
454.24390	100.0
455.24661	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	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05507	2.1
57.03430	2.4
57.07078	21.3
62.05780	1.4
62.06090	26.1
63.88378	0.8
67.05502	3.0
69.07063	3.9
70.70914	1.2
71.08266	1.2
71.08633	14.9
81.07055	5.5
83.08614	4.4
83.89072	0.8
85.10197	6.8
95.08595	6.9
97.10165	1.9
98.98466	5.1
109.10157	3.9
124.01630	2.0
142.02664	1.0
155.01024	6.0
166.98825	0.8
182.30679	0.7
198.05309	1.4
216.06346	2.8
239.23581	1.9
282.27884	12.4
283.89859	0.7
313.27368	100.0
314.27783	4.7
339.28003	1.8
393.24036	7.3
413.98480	0.8
436.28180	3.1
454.29114	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	454.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.4
57.03441	7.5
57.07080	6.4
67.05505	13.4
69.07066	22.7
69.54632	2.6
69.55028	2.2
70.35215	1.1
71.08631	4.8
79.05503	3.7
81.07059	15.3
83.08627	14.9
85.06561	1.2
85.10212	1.8
90.77727	1.1
91.05468	1.4
93.07050	6.3
95.08618	13.9
97.06543	2.4
97.10164	10.0
98.98466	20.6
107.08605	6.2
109.10137	7.9
111.08102	2.0
111.11718	3.2
121.10141	10.5
123.11712	1.7
125.09611	1.9
135.11685	5.3
139.11102	1.7
149.13290	3.6
155.01056	25.9
173.02084	1.7
180.54555	1.3
235.74135	1.2
247.24229	1.8
265.25284	10.7
282.88007	1.2
300.07181	1.2
339.28949	100.0
340.29245	6.2
354.55829	1.4
419.25568	2.6
437.20398	1.7
454.16864	2.2
454.23215	1.3
455.21768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.317
Annotation	10-Deoxymethymycin
Peak:m/z	Relative Intensity
53.03941	0.3
55.01875	0.6
55.05488	0.5
57.07077	1.8
60.04528	1.4
62.06081	1.2
65.03935	1.0
67.05517	2.4
67.11513	0.2
68.05038	0.4
69.07064	1.1
71.08629	1.6
77.03922	0.4
79.05476	0.3
79.26405	0.3
81.07066	0.9
81.32836	0.3
83.08614	0.7
85.10174	0.7
86.09753	0.4
89.06041	0.9
93.07062	0.4
95.04974	1.3
95.08609	1.2
97.10187	0.3
100.04362	0.3
102.46764	0.3
105.04514	0.5
105.89322	0.3
107.08556	0.4
108.02108	1.8
109.10164	0.8
111.04434	0.8
111.11742	0.3
121.04034	0.5
125.05985	0.6
133.08583	0.5
136.01590	0.4
141.05482	1.5
151.03911	100.0
151.05008	9.0
152.04256	1.7
155.00986	0.3
168.06570	1.8
175.93449	0.3
203.54225	0.3
210.07622	0.5
250.25333	2.1
251.23720	0.7
268.26370	2.5
282.28021	1.0
286.27402	5.2
304.28439	4.6
313.27365	4.2
315.61896	0.3
418.29263	0.7
436.30573	4.6
454.16287	0.6
454.24094	0.4
454.31503	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	454.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
57.07077	38.7
58.73713	0.7
65.14697	0.7
67.05508	1.6
69.07059	2.9
69.47939	2.5
71.08632	25.4
73.06557	6.1
75.90079	0.8
83.08620	1.8
85.10182	21.1
87.04472	2.7
89.06030	100.0
97.10167	3.3
98.89959	0.9
99.11725	4.1
102.40658	0.7
107.07068	2.7
113.13295	1.1
117.09135	3.4
118.40228	0.7
130.08650	2.2
133.08606	48.2
135.10165	0.7
137.22762	0.7
139.15221	0.7
155.17944	4.5
177.11218	16.9
195.12404	1.5
199.20624	3.3
221.13936	2.0
239.14926	2.7
243.23213	9.0
256.26321	0.9
264.01514	0.7
283.17526	16.5
287.25894	4.3
337.27417	1.0
339.28091	1.0
393.32101	1.4
437.34720	26.0
437.40735	1.4
438.35049	2.2
455.27603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01857	0.5
55.05505	1.1
57.03427	1.3
61.02916	1.2
63.41080	0.3
69.03066	0.5
69.03429	8.0
69.07076	0.5
69.32196	0.5
69.32606	1.0
71.04985	0.7
73.02915	5.3
81.03415	5.0
81.07055	0.3
83.08611	0.7
85.02904	13.2
87.04466	2.9
91.03940	0.8
92.69229	0.3
95.08586	0.7
97.02888	6.3
99.04444	1.6
100.11262	3.2
100.43938	0.3
101.11582	1.2
105.03381	0.8
105.07048	0.3
107.04950	0.3
109.02898	3.4
115.03931	5.9
117.03341	0.4
123.04431	10.4
126.93857	0.3
127.03921	10.3
128.04233	0.3
133.02852	8.6
133.04947	0.9
133.71112	0.3
135.04425	1.9
140.08974	0.3
145.04962	8.3
151.03900	4.0
161.02962	0.6
163.03925	1.6
163.05919	0.3
177.05464	0.3
177.10223	0.5
179.03391	100.0
180.03745	3.2
182.15439	0.4
183.15736	0.5
205.04993	3.1
209.16415	0.7
210.14838	0.6
210.16740	0.8
211.15175	0.8
214.22836	0.3
241.07077	0.5
259.08136	4.0
271.23779	0.4
275.05490	7.4
277.08850	0.3
293.06503	0.7
330.68784	0.3
349.22580	0.3
411.11963	0.3
413.11502	0.4
419.09882	1.7
436.33572	1.0
437.10574	1.7
454.24402	0.7
454.34555	4.6
455.23907	1.0
455.34753	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75324	1.7
55.05512	17.7
57.03437	12.1
57.07079	3.9
61.08879	1.5
65.03938	2.8
66.01505	1.3
67.05507	61.5
69.07071	16.7
69.31625	8.3
70.06579	4.4
71.04993	1.8
71.08633	2.4
75.72024	1.7
79.05495	31.2
81.07058	54.4
83.08620	5.8
91.05486	18.9
93.07046	30.1
94.68826	1.6
95.04961	3.9
95.08607	39.9
96.08949	1.7
97.06490	2.2
97.10175	2.8
105.04536	2.4
105.07023	17.7
105.81454	1.7
107.08599	13.6
108.73503	1.6
109.10165	15.7
117.07022	3.6
119.08593	4.6
120.39559	1.5
120.96642	73.1
121.10128	10.1
123.11713	4.4
131.08595	4.1
133.10123	3.6
135.04430	6.5
135.11678	5.8
136.04668	2.0
145.10066	1.9
147.11717	1.7
149.13327	3.3
156.97502	4.8
174.98624	4.4
195.00334	7.3
198.41605	1.9
213.00072	4.8
247.07945	1.6
301.20059	1.7
313.27515	3.1
314.27740	15.3
335.25778	100.0
336.26306	4.0
337.22006	1.8
357.23975	42.5
358.24228	3.1
413.20978	2.6
437.20145	4.5
455.21741	80.6
456.22150	4.7
473.19827	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	455.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
50.04847	0.5
53.03938	1.1
53.31486	0.6
54.67375	0.6
55.05259	0.9
55.05511	14.1
57.03428	1.7
65.03927	2.0
67.05503	6.6
69.03425	0.8
69.07059	1.4
69.28833	2.7
71.05007	1.1
72.08180	0.7
77.03925	1.2
78.13277	0.6
79.05491	10.8
81.07050	5.7
83.01344	1.8
91.05479	50.3
92.05820	1.1
93.07055	3.2
95.04960	5.6
95.08595	4.7
97.06514	0.7
103.05450	5.9
105.07029	100.0
106.07394	1.5
107.08578	2.2
109.06519	0.9
109.10146	1.0
115.05444	4.4
117.07015	6.1
119.08614	0.9
120.96622	7.2
121.06503	2.6
121.10126	1.1
127.05419	1.0
128.06221	6.1
129.07002	37.8
131.04919	1.7
131.08559	6.8
133.06488	1.6
133.10135	0.8
135.04373	0.8
135.11725	0.8
136.93138	0.7
137.05978	26.4
141.06987	50.3
142.07401	1.4
143.08568	8.2
145.06465	2.0
145.10110	6.6
149.05989	2.5
151.07518	5.6
151.11208	2.1
152.06250	0.8
153.06987	4.2
154.94199	0.8
155.04910	10.4
155.06036	1.6
155.08553	3.4
157.06516	1.1
157.10136	1.1
159.08118	0.8
165.06999	8.0
165.12672	0.6
166.07770	14.0
167.08562	2.6
168.09314	1.0
171.08124	1.1
172.95204	0.7
173.05988	10.3
173.09637	5.8
174.06728	1.0
175.07541	19.0
176.07971	1.0
177.05515	1.3
177.09123	1.3
179.08577	1.9
180.09227	0.8
181.10117	22.9
182.10658	1.2
183.11630	1.1
185.05995	0.9
185.09624	1.1
188.08295	4.6
189.09039	1.1
190.07759	1.3
191.08572	2.8
194.07339	2.8
197.06078	0.7
199.07610	2.3
199.11156	2.9
203.07098	0.7
209.09621	10.8
209.13353	0.6
212.08319	3.3
212.99901	0.8
213.09119	4.6
214.09814	1.1
225.09113	1.5
226.10028	1.5
227.10663	32.8
228.11305	3.1
229.12234	8.2
233.07997	0.7
237.12634	0.8
241.08513	1.4
251.10738	1.2
253.12312	1.0
255.10205	6.6
255.13773	5.2
261.12680	0.7
263.10645	1.2
265.12283	2.9
266.13037	3.1
267.13846	0.9
273.11353	0.9
277.12366	0.9
277.21500	0.8
279.13919	3.2
281.11713	2.4
289.12390	1.0
303.13840	6.9
307.13342	2.2
311.12766	5.5
318.16116	1.1
333.14893	0.7
335.25778	9.7
357.24039	3.5
363.15897	2.3
377.17554	2.2
394.19135	0.8
395.20160	3.1
396.27682	0.6
405.07611	0.7
409.21600	9.0
419.19901	0.7
437.21112	22.6
438.21741	1.2
455.22131	54.4
456.22455	3.8
473.19901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38834	0.3
69.38007	1.8
80.94861	0.4
98.97631	0.4
147.40401	0.4
156.81706	0.4
160.59618	0.3
176.53090	0.4
274.97818	0.4
327.13470	0.3
327.23480	0.4
335.21799	1.8
336.22318	0.4
357.24911	0.6
373.17267	0.8
403.88055	0.4
455.29785	100.0
456.30115	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	455.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01864	2.7
55.05512	39.7
55.58972	0.6
56.05848	0.9
56.96554	2.9
57.03439	35.6
57.07078	33.0
57.29038	0.6
59.04983	1.0
65.03938	1.6
67.05504	50.2
68.05817	0.8
69.03428	1.6
69.07069	58.3
70.07409	1.1
71.04998	4.0
71.08632	24.9
71.43890	0.8
73.06540	1.3
73.47352	0.6
75.04482	3.8
79.05052	1.1
79.05493	18.4
81.07058	69.9
82.07379	1.3
83.04980	4.1
83.08620	48.2
85.02899	4.3
85.06534	4.3
85.10184	11.8
87.04459	0.8
91.05482	4.5
93.07047	29.4
95.04971	1.4
95.08604	68.0
96.08932	1.1
97.06525	14.0
97.10168	30.0
98.10468	1.1
99.08078	2.7
101.05991	2.7
105.04503	0.8
105.07047	2.3
107.08592	21.0
108.08919	1.6
109.10156	33.0
111.08086	11.2
111.11730	7.4
113.06004	25.2
113.09655	1.0
113.13263	0.8
115.07540	2.2
115.68181	0.7
119.08543	1.7
120.96626	0.8
121.09261	1.3
121.10141	27.8
123.11710	12.8
125.09632	7.6
125.13226	2.3
129.09073	2.8
131.07002	1.6
131.08553	1.4
133.10118	3.2
135.11693	23.3
136.11998	1.2
137.09612	0.7
137.13219	5.6
139.11176	7.1
139.14844	0.8
143.10678	2.2
144.71249	0.7
145.10123	0.8
147.11581	1.6
149.13240	12.8
151.14772	2.6
153.12758	5.2
157.12195	2.7
161.13258	0.8
163.14812	7.0
165.12691	0.7
165.16396	1.4
167.14314	4.4
171.13799	2.2
175.14806	2.5
177.16382	3.3
179.17931	0.7
181.15892	3.2
185.15359	1.4
189.16330	2.6
191.17903	3.6
193.15845	1.1
195.17433	2.3
205.19513	2.7
207.17397	1.1
209.18919	1.8
211.91180	0.8
213.18411	0.8
219.20941	0.7
223.16837	0.7
223.20491	2.6
227.20056	1.4
237.22029	1.4
261.25772	7.8
271.24084	1.0
279.26846	12.8
280.27020	0.9
289.25211	6.8
297.27921	1.0
307.19525	2.6
307.26337	14.6
308.26556	0.7
325.20602	4.7
325.27155	4.1
333.20895	1.6
335.25513	0.7
337.20267	0.8
343.28430	79.6
344.28625	4.8
345.20917	1.0
351.22003	3.7
357.23816	0.8
363.21967	7.5
381.23019	9.9
381.29877	24.0
382.30072	1.4
395.31442	2.3
399.24301	8.1
399.31036	85.0
400.31293	6.8
422.25638	1.0
437.32593	1.1
449.63138	0.8
455.26718	19.2
455.33527	100.0
456.27222	2.4
456.33954	7.9
467.69977	0.8
473.27615	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	456.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60304	3.1
60.23124	3.0
91.71639	3.1
92.40043	2.7
98.97588	10.9
114.12922	3.2
116.98598	7.5
161.55135	3.2
256.96552	4.8
274.97440	23.0
292.98499	12.3
381.86453	3.1
406.17575	3.3
424.15158	100.0
425.15457	8.4
456.17416	18.3
456.29602	2.9
457.18234	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	456.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
58.61131	0.2
61.61369	0.2
69.54511	0.9
89.88688	0.2
91.05486	0.7
92.89253	0.2
98.23549	0.2
102.32991	0.2
105.07015	1.0
115.05437	0.5
117.07024	0.9
121.06551	0.2
128.06236	0.3
129.06973	1.1
130.07730	0.6
131.04922	0.3
131.08549	0.3
140.57553	0.2
143.08559	0.3
144.05673	0.4
145.06482	1.4
145.10118	2.7
153.06987	1.1
154.07695	0.4
155.08549	44.0
156.08896	1.0
157.06483	0.3
158.07265	8.1
158.08578	0.4
159.07747	0.2
173.09616	100.0
174.09956	2.6
210.74550	0.2
309.27524	0.3
406.42755	0.2
456.17908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32356	1.0
98.97587	3.0
116.98634	1.8
145.04958	2.4
211.82880	1.0
220.57040	1.1
270.11023	3.1
271.11786	38.1
272.12134	2.1
274.97495	5.3
283.79291	1.1
284.12640	11.1
285.13254	5.9
287.11337	2.3
292.98569	2.9
314.13638	3.9
328.15265	2.7
329.15970	100.0
330.16357	6.0
355.48273	1.1
421.15341	1.2
432.96353	2.4
456.19894	32.6
457.20316	1.8
481.49158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57981	0.2
56.42239	0.2
56.51894	0.2
60.68277	0.3
67.05498	0.6
69.45132	1.2
85.02890	0.3
91.05473	1.1
97.02904	0.3
105.07029	1.1
115.05429	0.4
117.07038	0.5
119.08582	4.0
123.08893	0.3
128.06212	0.7
129.06975	1.3
130.07825	0.3
131.08575	8.9
133.10144	2.3
134.49585	0.2
141.07077	0.3
142.07797	0.7
143.08566	11.1
144.09402	2.0
145.10141	6.3
149.92761	0.3
156.09331	0.4
157.10141	1.1
158.10916	28.2
159.11232	0.8
171.11751	0.6
173.13264	100.0
174.13614	2.7
299.79123	0.2
424.13895	0.4
476.93954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73618	0.6
53.03952	1.7
54.68794	0.7
55.01875	2.5
55.05525	0.8
57.03439	2.9
57.06789	0.9
57.07073	14.5
59.05003	100.0
61.02926	1.1
67.05535	1.0
69.03431	9.1
69.04545	1.5
71.04990	1.2
71.43427	1.1
73.02930	1.8
81.03419	5.8
81.07066	0.9
85.02905	19.0
87.00835	7.6
92.96293	0.7
93.07053	1.0
97.02895	6.7
99.04474	2.9
105.01867	6.7
105.07030	0.8
109.02862	6.0
109.10146	1.5
115.03918	1.6
115.11209	27.6
117.01909	1.0
119.08540	1.1
121.10192	1.2
127.03914	11.6
129.01828	0.9
133.10193	1.1
139.09018	0.8
145.04913	4.9
159.02908	2.6
173.15373	5.2
191.14549	2.5
191.16418	62.9
192.16808	1.3
209.15305	0.7
231.04970	1.6
231.13838	0.9
262.67044	0.8
312.83694	0.7
372.15826	0.8
455.74170	1.7
456.18793	0.9
456.25415	1.6
457.24411	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	456.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73618	0.6
53.03952	1.7
54.68794	0.7
55.01875	2.5
55.05525	0.8
57.03439	2.9
57.06789	0.9
57.07073	14.5
59.05003	100.0
61.02926	1.1
67.05535	1.0
69.03431	9.1
69.04545	1.5
71.04990	1.2
71.43427	1.1
73.02930	1.8
81.03419	5.8
81.07066	0.9
85.02905	19.0
87.00835	7.6
92.96293	0.7
93.07053	1.0
97.02895	6.7
99.04474	2.9
105.01867	6.7
105.07030	0.8
109.02862	6.0
109.10146	1.5
115.03918	1.6
115.11209	27.6
117.01909	1.0
119.08540	1.1
121.10192	1.2
127.03914	11.6
129.01828	0.9
133.10193	1.1
139.09018	0.8
145.04913	4.9
159.02908	2.6
173.15373	5.2
191.14549	2.5
191.16418	62.9
192.16808	1.3
209.15305	0.7
231.04970	1.6
231.13838	0.9
262.67044	0.8
312.83694	0.7
372.15826	0.8
455.74170	1.7
456.18793	0.9
456.25415	1.6
457.24411	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	456.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67252	0.2
53.03911	0.9
55.01834	0.8
55.05470	1.3
57.03389	1.3
61.02924	1.7
67.05502	11.2
69.03427	7.6
69.07037	0.5
70.06548	0.9
71.04949	1.0
71.46348	0.3
73.02921	1.8
79.05481	1.8
80.05016	2.2
81.03413	2.3
81.07059	3.4
82.06534	1.0
83.01287	0.3
83.04935	0.5
84.08146	1.3
84.08537	0.3
85.02901	8.1
87.04489	1.6
91.03901	0.5
91.05431	1.2
93.07027	1.8
94.06538	1.9
95.04942	0.4
95.08611	1.7
96.08129	1.5
97.02881	3.4
97.06487	0.6
99.01618	0.3
99.04396	1.2
100.07590	0.7
101.02344	0.3
105.06982	1.1
107.08537	1.3
108.08038	0.9
109.02827	1.2
109.10152	2.5
109.73264	0.3
110.09634	1.2
112.07568	0.5
114.09127	0.7
115.07510	0.4
119.08540	0.6
120.08063	0.8
121.10155	0.5
122.09670	5.2
124.07584	0.4
124.11171	0.4
125.05973	0.7
126.09174	0.4
127.03910	1.8
128.07024	0.4
131.08531	0.4
132.08063	0.3
133.10086	0.6
134.09595	0.9
135.09534	0.3
135.11662	0.4
136.11163	1.1
142.08600	1.5
145.04874	0.9
146.09564	0.3
147.10391	0.3
148.11203	1.6
150.08076	0.5
150.09149	6.6
150.12704	0.3
152.10640	0.8
154.12196	0.5
156.10213	0.4
160.11110	0.8
162.12755	0.7
164.10638	0.6
164.14301	0.4
166.08672	0.4
168.10197	10.5
169.80301	0.3
174.12807	0.6
176.14285	1.3
182.10228	0.4
182.11763	7.6
183.12056	0.3
184.13231	0.5
188.14262	0.5
194.15381	0.4
202.15889	1.0
204.13821	0.4
208.13290	0.9
220.13348	0.4
220.16943	5.9
222.14864	1.0
234.14885	0.5
248.16386	1.2
248.20163	0.4
250.18013	0.5
250.24773	0.3
258.18420	0.3
259.09814	0.5
274.17975	0.6
276.19565	23.4
277.19980	1.5
292.18997	0.6
294.20624	77.1
295.20978	3.5
352.96481	0.3
438.20847	0.4
456.25940	100.0
457.19785	0.4
457.26224	7.2
457.32251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	1.3
55.05518	1.5
56.05033	2.3
57.03447	0.7
67.05506	2.7
68.05038	1.2
69.03428	5.0
69.07060	0.6
69.79218	1.6
70.06602	3.4
71.04996	6.0
72.44176	0.5
73.02927	1.0
78.09790	0.6
79.05492	2.8
80.05022	14.3
81.03425	2.4
81.07056	6.5
82.06586	2.1
83.01347	0.6
83.05007	0.8
84.08161	0.6
85.02908	6.3
85.06548	1.6
86.09720	0.5
87.04469	1.7
87.27012	0.5
91.05476	2.8
93.07045	2.9
94.06583	2.8
95.04967	7.0
95.07378	0.6
95.08601	1.4
96.08127	5.1
97.02879	3.1
97.06517	0.9
98.06058	1.7
98.22772	0.9
99.04481	2.8
99.08095	0.6
100.07631	1.1
101.06026	0.7
105.07040	1.9
107.08594	2.0
108.08051	0.9
109.02882	1.2
109.06526	3.9
109.10186	1.0
110.09690	1.2
111.04392	0.5
111.08091	2.9
112.07642	0.8
113.06055	1.5
115.03954	3.5
115.07581	1.1
117.07011	0.6
119.08628	1.3
120.08099	4.1
121.06512	1.4
121.10146	1.1
122.09667	2.3
123.04443	2.0
123.08086	2.1
125.06038	1.0
125.09605	0.8
126.01065	7.9
127.03924	3.2
127.07561	5.0
131.07072	0.9
131.08597	1.6
133.04967	1.0
133.06514	0.5
133.10138	0.9
134.09619	1.2
135.08069	0.9
136.07581	1.1
136.11243	1.5
137.05989	8.3
138.09146	7.0
140.10716	3.9
141.05479	0.7
141.09146	0.8
142.12312	0.8
143.03430	0.8
145.04944	3.0
145.08568	0.6
145.10152	1.5
146.09637	0.9
147.08012	0.7
148.07573	3.9
148.11198	1.1
149.09679	1.6
150.09189	2.6
151.07568	1.3
152.10692	1.4
153.09149	0.9
154.12303	1.2
155.07054	1.3
156.10223	2.2
159.11754	0.7
162.12750	0.7
163.03915	0.6
164.10722	1.6
165.09091	0.5
166.08670	1.2
166.12209	0.6
167.07042	1.1
168.10243	1.0
169.08681	0.9
173.09618	1.0
175.11235	0.9
178.12338	1.1
180.10193	0.8
180.13850	1.7
182.11787	2.0
184.09721	4.2
187.11154	0.7
188.10652	0.6
191.10669	0.5
192.13904	1.2
196.17017	0.7
198.11227	3.7
200.12825	4.4
204.13831	1.0
216.12260	1.4
218.11325	0.5
222.14891	1.1
224.12645	0.5
236.16527	0.6
248.16452	0.6
252.16052	1.4
262.17999	2.5
276.06506	3.5
276.19574	1.0
280.19049	2.2
294.07541	3.6
294.17203	1.2
294.20670	4.1
308.18597	1.3
322.20236	3.3
326.19504	1.2
334.20184	1.0
336.21783	0.8
338.19916	0.7
340.21268	2.9
350.19519	0.6
358.22424	3.5
360.21594	1.4
378.22717	4.8
396.23856	0.7
412.12943	0.6
420.23798	1.9
424.23309	8.0
438.25253	18.8
439.25223	1.2
442.53616	0.6
456.26309	100.0
457.16754	0.8
457.26550	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	456.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02555	0.5
55.01887	1.4
55.05523	1.9
56.05033	0.9
67.05514	1.2
69.03426	11.8
69.07072	0.5
70.03768	0.5
70.06592	10.8
71.04993	3.9
72.08173	1.5
79.05514	1.8
80.05029	1.4
81.03443	0.7
81.07061	2.3
83.04997	1.3
84.08147	3.2
85.02924	1.0
85.06583	1.8
86.09701	4.7
91.05501	1.0
93.07053	2.7
94.06612	0.9
95.05003	1.3
95.08630	3.1
96.08124	1.2
97.06557	1.7
98.06104	0.6
105.07028	1.3
107.08651	1.4
109.06542	1.4
109.10143	0.8
110.07179	0.6
110.09705	3.4
111.04500	0.6
111.08079	6.6
111.08721	0.6
112.08456	0.5
113.06014	0.8
115.03933	0.7
116.07133	1.0
120.08108	1.0
121.10190	1.0
122.09721	2.0
123.08116	1.7
124.11266	0.5
125.06045	1.2
125.09629	8.9
127.04057	0.6
129.10277	0.7
133.04994	0.6
134.09657	0.6
135.08118	0.9
136.11287	0.9
137.06033	0.9
137.09590	0.5
138.09163	0.8
145.04921	0.6
145.10130	0.9
146.06006	7.5
146.06985	0.6
149.09668	0.7
150.09196	1.5
151.07700	0.6
152.10704	1.2
153.09109	8.1
155.08240	0.5
155.10698	3.4
165.09175	0.6
167.10675	0.6
182.11862	1.3
184.13368	0.8
187.14503	2.2
190.96973	0.4
192.06564	4.5
195.01195	0.6
198.14987	1.7
200.12923	0.7
209.11859	0.9
215.13904	0.5
230.11568	1.2
255.12320	6.7
277.09167	0.6
294.16895	0.7
324.18134	1.1
336.21780	0.9
350.19601	7.0
350.23355	1.0
351.20148	0.6
378.22925	1.1
392.24454	0.7
396.05978	0.7
406.22595	0.9
412.23669	0.9
414.07114	0.5
424.23270	8.5
425.24188	0.6
438.24973	29.7
439.25363	2.1
456.26041	100.0
457.26337	6.6
472.72778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	1.3
55.05518	1.5
56.05033	2.3
57.03447	0.7
67.05506	2.7
68.05038	1.2
69.03428	5.0
69.07060	0.6
69.79218	1.6
70.06602	3.4
71.04996	6.0
72.44176	0.5
73.02927	1.0
78.09790	0.6
79.05492	2.8
80.05022	14.3
81.03425	2.4
81.07056	6.5
82.06586	2.1
83.01347	0.6
83.05007	0.8
84.08161	0.6
85.02908	6.3
85.06548	1.6
86.09720	0.5
87.04469	1.7
87.27012	0.5
91.05476	2.8
93.07045	2.9
94.06583	2.8
95.04967	7.0
95.07378	0.6
95.08601	1.4
96.08127	5.1
97.02879	3.1
97.06517	0.9
98.06058	1.7
98.22772	0.9
99.04481	2.8
99.08095	0.6
100.07631	1.1
101.06026	0.7
105.07040	1.9
107.08594	2.0
108.08051	0.9
109.02882	1.2
109.06526	3.9
109.10186	1.0
110.09690	1.2
111.04392	0.5
111.08091	2.9
112.07642	0.8
113.06055	1.5
115.03954	3.5
115.07581	1.1
117.07011	0.6
119.08628	1.3
120.08099	4.1
121.06512	1.4
121.10146	1.1
122.09667	2.3
123.04443	2.0
123.08086	2.1
125.06038	1.0
125.09605	0.8
126.01065	7.9
127.03924	3.2
127.07561	5.0
131.07072	0.9
131.08597	1.6
133.04967	1.0
133.06514	0.5
133.10138	0.9
134.09619	1.2
135.08069	0.9
136.07581	1.1
136.11243	1.5
137.05989	8.3
138.09146	7.0
140.10716	3.9
141.05479	0.7
141.09146	0.8
142.12312	0.8
143.03430	0.8
145.04944	3.0
145.08568	0.6
145.10152	1.5
146.09637	0.9
147.08012	0.7
148.07573	3.9
148.11198	1.1
149.09679	1.6
150.09189	2.6
151.07568	1.3
152.10692	1.4
153.09149	0.9
154.12303	1.2
155.07054	1.3
156.10223	2.2
159.11754	0.7
162.12750	0.7
163.03915	0.6
164.10722	1.6
165.09091	0.5
166.08670	1.2
166.12209	0.6
167.07042	1.1
168.10243	1.0
169.08681	0.9
173.09618	1.0
175.11235	0.9
178.12338	1.1
180.10193	0.8
180.13850	1.7
182.11787	2.0
184.09721	4.2
187.11154	0.7
188.10652	0.6
191.10669	0.5
192.13904	1.2
196.17017	0.7
198.11227	3.7
200.12825	4.4
204.13831	1.0
216.12260	1.4
218.11325	0.5
222.14891	1.1
224.12645	0.5
236.16527	0.6
248.16452	0.6
252.16052	1.4
262.17999	2.5
276.06506	3.5
276.19574	1.0
280.19049	2.2
294.07541	3.6
294.17203	1.2
294.20670	4.1
308.18597	1.3
322.20236	3.3
326.19504	1.2
334.20184	1.0
336.21783	0.8
338.19916	0.7
340.21268	2.9
350.19519	0.6
358.22424	3.5
360.21594	1.4
378.22717	4.8
396.23856	0.7
412.12943	0.6
420.23798	1.9
424.23309	8.0
438.25253	18.8
439.25223	1.2
442.53616	0.6
456.26309	100.0
457.16754	0.8
457.26550	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	457.1341
Annotation	Adicardin
Peak:m/z	Relative Intensity
50.68669	1.3
53.03950	5.7
54.06090	1.2
54.50772	1.2
55.01873	1.9
57.03433	4.9
61.02923	6.9
64.25889	1.4
64.96870	1.2
67.05516	1.7
68.93724	1.4
69.03435	36.4
69.07088	1.3
70.06641	4.2
71.05004	3.7
73.02928	13.0
73.14075	1.6
79.05498	2.5
81.03419	28.2
81.07063	2.9
85.02908	70.0
85.06541	1.4
86.09691	1.8
87.00829	2.4
87.04470	19.4
91.03967	3.8
91.05464	8.8
92.18520	1.3
95.04979	3.2
97.02898	33.0
97.06536	1.9
99.04453	8.2
105.07067	2.9
107.04962	4.9
107.08604	1.7
109.02871	17.2
109.10135	1.5
115.03938	43.5
119.04980	3.0
119.08556	2.0
121.10158	4.1
123.11758	1.5
124.07643	1.8
127.03915	49.1
133.04980	5.9
133.10147	10.7
135.04387	1.5
135.11629	1.4
145.04968	35.1
147.11682	1.5
149.09601	12.8
157.04971	4.0
163.03908	100.0
163.11195	2.6
164.04248	3.6
173.13284	4.1
181.04987	2.4
191.14304	6.5
209.15416	5.5
241.07170	2.8
255.77631	1.5
259.08060	12.8
277.09406	2.3
277.17795	4.2
279.19373	2.8
307.08035	2.7
403.10303	1.5
421.11313	13.8
457.17047	2.4
457.23978	23.3
458.24484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.05484	0.2
57.03426	0.2
69.03426	1.8
69.07063	0.3
70.06592	2.8
71.05016	0.4
72.08145	0.9
73.02918	0.3
81.03421	1.4
82.59377	0.2
84.08125	0.3
85.02905	3.8
86.09705	0.8
87.00826	1.3
90.29168	0.2
91.03937	0.3
91.05492	0.2
92.92896	0.2
97.02899	1.2
99.04441	0.6
102.05484	0.2
105.01838	0.7
109.02886	1.5
110.07203	0.2
115.03943	0.3
115.97749	0.2
116.07076	0.5
117.07693	0.2
118.06532	1.5
120.08109	0.3
122.09660	0.2
123.42628	0.2
127.03915	2.4
129.01863	0.2
129.10275	0.2
139.36310	0.2
145.04979	0.8
146.06001	100.0
147.06352	2.2
149.09608	0.3
159.02866	0.6
160.07590	1.0
170.06015	0.6
174.81799	0.2
175.11229	0.4
188.07104	1.4
192.06544	70.9
193.06938	1.8
201.12399	0.2
209.15350	0.3
212.07045	0.3
216.06573	0.7
220.54085	0.2
224.43192	0.2
229.11755	0.3
229.15442	0.4
234.07611	2.4
254.08122	0.3
258.07632	0.5
269.78775	0.2
282.07651	0.3
300.08548	0.5
358.08801	0.4
376.10425	0.3
394.11191	0.7
401.80997	0.2
404.09692	0.5
413.21301	0.4
422.10529	0.3
439.24976	0.5
440.11874	1.0
456.25647	0.8
457.20102	2.3
457.26620	1.7
458.19962	0.5
458.27414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
57.07071	1.1
57.22868	0.7
58.17313	0.7
67.05491	1.8
69.03426	5.0
69.07059	1.3
69.54840	2.0
72.20285	0.8
76.97026	0.7
79.05498	5.0
81.03409	0.8
81.07049	5.0
83.04971	1.0
85.02902	2.7
88.45085	0.7
91.05475	5.4
93.07035	3.2
93.53435	0.8
95.04950	1.0
95.08606	1.8
97.02879	1.3
98.23600	0.9
105.01868	1.0
105.07035	7.1
107.04955	3.4
107.08595	14.6
109.06532	3.3
109.10189	5.6
115.05495	1.0
117.07003	1.5
119.08603	2.2
121.06533	1.7
121.10166	9.3
122.07272	4.0
123.08107	1.0
127.03917	1.7
131.08528	1.4
133.10130	100.0
134.10457	3.4
135.08046	7.2
137.09619	49.4
138.09930	1.3
147.11697	1.9
149.09624	1.0
149.13258	7.8
158.10950	1.0
163.14888	1.2
173.13237	5.6
191.14305	49.5
192.14673	2.3
196.93646	0.8
209.15395	3.8
448.45584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
57.50231	0.7
61.51194	0.7
67.05492	2.6
69.03437	6.2
69.07074	1.8
73.56764	1.0
79.05499	4.9
80.62553	0.7
81.03434	0.8
81.07054	7.0
83.04987	1.8
85.02905	2.7
87.00846	1.6
91.05456	5.4
93.07044	2.5
95.04926	1.2
95.08606	1.1
96.11647	0.7
97.02921	0.9
98.23508	1.7
105.01868	1.1
105.07021	6.0
107.04950	3.7
107.08592	19.0
109.02899	1.1
109.06516	2.9
109.10164	6.1
115.05424	1.2
117.06998	2.2
119.08588	3.4
121.06515	1.1
121.10145	8.6
122.07274	4.8
123.08018	0.8
127.03890	3.8
131.08571	2.5
133.10130	100.0
134.10510	2.2
135.08043	8.6
135.11656	1.6
137.09615	57.1
138.09924	1.5
139.83519	0.7
143.08502	0.9
145.05003	1.1
145.10156	0.9
147.11681	2.3
149.09637	1.0
149.13255	7.7
158.10925	1.6
163.14809	2.2
173.13297	5.4
191.14311	56.6
192.14661	2.2
209.15433	2.7
220.30884	0.9
279.07278	0.8
290.84119	0.7
410.95987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2328
Annotation	Vindoline
Peak:m/z	Relative Intensity
55.05508	4.5
55.93523	2.3
57.03442	2.0
67.05503	12.9
69.07070	5.9
69.18616	6.3
70.95859	2.2
71.08619	2.1
72.93793	2.9
79.05487	4.0
81.07059	11.4
83.08617	2.7
88.54978	1.1
89.06066	1.7
91.05461	1.9
93.07048	5.7
95.08596	7.8
97.10189	1.7
98.22686	2.7
105.07055	2.1
107.08571	1.8
109.10160	2.8
111.16748	1.3
116.86423	1.3
119.08615	1.6
120.96637	10.0
121.06443	1.4
138.98454	1.2
165.03708	1.8
165.09096	1.6
195.00255	6.8
205.06931	1.4
256.04013	1.2
309.12811	1.7
315.17950	2.8
337.27383	12.6
359.16565	1.6
359.25589	4.6
361.18271	2.7
363.19800	10.0
365.21390	10.0
375.02148	1.4
377.26694	3.4
381.20786	4.1
383.22440	22.0
401.23587	11.6
406.24094	3.4
424.25165	3.8
439.22244	7.5
457.23224	100.0
458.23453	5.9
467.72852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77564	4.2
53.72219	4.4
55.05509	7.9
56.06561	4.3
67.05509	7.3
69.07064	5.2
69.12166	14.5
69.12572	15.3
81.07066	11.0
95.08652	4.8
98.97614	5.4
106.51942	4.2
107.08639	5.5
119.08588	53.7
120.96635	10.9
169.41032	4.6
276.53403	4.8
285.24240	7.3
337.27338	20.9
349.12158	5.1
415.24164	4.8
457.22522	6.2
457.28369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.0
52.20690	1.0
53.03951	3.7
55.01873	3.6
57.03431	4.6
61.02926	10.7
69.03430	28.0
71.04995	2.8
73.02904	5.3
75.62113	1.0
81.03421	16.0
85.02907	100.0
87.04470	22.1
91.03957	7.4
91.05491	1.4
97.02898	29.7
99.04478	6.1
101.02398	1.3
103.03922	1.6
109.02892	11.2
115.03934	80.3
119.04972	4.6
127.03923	46.8
133.04973	31.1
133.05923	2.0
145.04962	71.5
146.05275	1.3
147.04414	31.5
157.04897	1.2
163.06006	12.5
165.05476	2.5
223.05031	1.3
241.07100	3.2
259.08151	16.4
277.09198	20.2
423.12915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01869	2.5
57.03432	3.9
59.04992	0.9
61.02929	4.2
64.58773	0.9
69.03431	30.8
69.51740	4.0
69.52120	1.9
71.04990	2.0
72.57131	0.9
73.02923	8.3
75.80669	1.0
81.03419	22.1
83.01337	1.0
83.04983	2.7
85.02910	76.1
86.03255	1.0
87.04475	14.0
91.03960	4.6
91.05476	7.1
95.04969	5.3
97.02895	27.6
99.04457	5.1
99.46538	0.9
101.02393	1.2
103.03950	2.6
103.53721	0.9
107.04939	5.5
109.02876	14.0
111.04461	4.3
112.03951	0.9
115.03937	44.8
118.65157	1.0
119.04945	15.7
120.04527	2.3
121.06496	1.5
123.04431	27.2
125.04787	1.5
127.03922	41.9
129.05544	1.1
133.04976	10.9
136.07584	58.4
137.07901	1.2
138.09195	1.4
145.04970	41.4
147.04405	10.8
148.07568	1.2
157.04970	1.8
160.07712	1.4
163.05975	4.9
164.14352	1.5
165.05487	47.7
166.04866	7.3
178.08694	2.8
182.08138	100.0
183.08458	1.6
204.92978	0.9
224.09224	9.5
241.07048	1.4
244.09682	2.5
255.08849	1.5
259.08157	12.8
272.09198	2.1
277.09235	7.7
278.10260	1.3
278.17438	1.6
290.10049	2.0
296.18484	4.1
308.11465	1.3
404.13309	1.7
412.15973	1.6
422.14499	9.6
440.15518	7.1
440.22003	1.9
458.16678	13.3
458.23746	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	458.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01873	4.2
55.05508	4.5
57.03440	7.5
58.92489	1.5
59.53101	1.8
61.02922	10.0
69.03065	3.0
69.03430	36.1
69.07092	3.2
70.06596	1.9
71.05013	8.5
71.08632	3.8
71.46655	1.5
73.02920	7.5
79.05495	2.7
81.03423	18.4
83.04985	2.1
83.63227	1.6
85.02907	100.0
86.06071	6.0
86.09716	4.1
87.04465	25.4
91.03978	4.7
91.05486	6.1
93.07041	2.8
95.04971	4.9
97.02263	2.2
97.02892	44.8
97.06552	3.3
99.04455	14.5
99.08054	2.4
100.11266	3.4
107.04992	3.3
109.02868	13.6
111.08089	3.4
112.07609	2.2
113.06013	5.4
115.03928	60.4
115.04712	3.7
119.04947	13.6
121.06478	2.0
123.04436	2.2
123.11761	1.9
125.06033	1.6
127.03918	51.0
129.06967	2.4
133.04984	25.2
136.07594	1.8
138.08975	1.8
139.07556	3.7
141.05463	5.1
145.04962	77.4
147.04408	52.0
147.05589	2.8
148.04733	1.7
157.10245	2.4
163.06020	25.5
163.11212	4.7
165.05507	11.4
167.06992	2.0
175.11179	1.8
193.08694	3.3
211.09691	7.8
220.13437	2.0
259.08069	13.9
261.11038	2.9
261.13403	6.7
267.15887	4.6
277.09192	16.3
278.17676	2.1
296.18539	5.3
310.91916	2.0
319.15118	2.1
375.08105	2.0
422.21664	2.5
440.22620	6.8
457.35449	4.2
458.16528	9.9
458.23981	11.9
458.34882	8.0
459.18173	4.0
459.34988	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	458.1845
Annotation	Dankastatin B
Peak:m/z	Relative Intensity
51.02366	0.2
51.97303	0.1
55.01856	0.2
60.94503	0.1
61.61630	0.1
65.03955	0.5
69.52797	0.1
70.06593	0.5
73.25974	0.1
79.05491	0.7
81.07058	1.0
84.08128	0.3
88.29205	0.1
91.05482	6.0
91.06056	0.3
91.51047	0.1
92.05831	0.1
93.07061	0.3
94.39790	0.1
95.04957	0.2
98.06039	0.2
101.08792	0.1
103.05452	0.2
105.07030	2.2
107.08582	0.2
109.89452	0.1
115.05452	0.6
117.07025	2.4
119.04948	5.5
119.08585	1.3
120.08936	0.1
121.06512	4.0
122.02729	0.2
129.07007	0.9
131.08568	0.4
133.06493	17.4
133.10109	0.4
134.06824	0.6
137.05971	2.4
141.06944	0.1
142.07770	2.3
145.06461	0.3
145.10162	0.2
147.08054	0.5
147.11655	0.8
148.82654	0.1
151.07483	0.1
157.10133	15.1
158.09354	0.1
158.10439	0.7
159.84372	0.1
160.08859	0.9
175.11186	100.0
176.11528	4.3
182.11809	0.2
217.38651	0.1
220.13377	0.2
276.31186	0.1
284.07928	0.4
296.13110	0.3
396.21442	0.4
418.22125	0.2
422.19031	0.1
440.20554	1.7
440.26205	0.2
458.21042	1.0
458.27136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
57.03421	0.2
59.45915	0.2
60.89860	0.2
65.03936	0.2
68.64274	0.2
69.03419	0.7
69.51157	0.4
70.06274	0.2
70.06589	1.9
72.08179	0.2
79.05489	0.9
81.03421	0.4
81.07063	1.1
84.05306	0.2
85.02901	1.1
86.09699	0.3
87.00802	0.5
91.05483	6.4
91.06048	0.3
93.07033	0.3
97.02896	0.3
98.06058	0.6
98.22655	0.3
103.05486	0.4
105.07032	2.1
106.07407	0.2
107.04941	0.3
107.08595	0.3
115.05455	0.5
115.79269	0.2
116.30646	0.2
117.07018	2.0
119.04942	5.8
119.08577	1.4
121.06501	3.4
126.05494	0.4
127.03904	0.4
129.06984	1.0
131.08539	0.4
133.06490	17.5
133.10109	2.3
134.06844	0.4
134.10472	0.9
137.05984	2.6
137.09579	0.6
138.09935	0.7
142.07768	1.7
145.04962	0.3
147.08041	0.4
147.11681	0.9
157.10126	14.5
158.10490	0.5
159.02879	0.3
160.08856	0.9
168.11610	0.2
173.13339	0.2
175.11182	100.0
176.11520	3.7
191.14253	0.5
192.14728	0.9
227.17326	0.2
275.18805	0.5
329.29596	0.2
363.19595	0.2
409.21716	0.3
457.74280	0.2
458.23935	0.2
459.16467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
60.94864	0.3
65.03931	0.6
69.03406	0.5
69.40311	0.7
69.40717	0.7
72.53023	0.2
74.53232	0.3
75.59808	0.3
79.05479	0.8
81.07053	1.1
83.41966	0.3
85.02918	1.5
88.71886	0.3
91.04942	0.5
91.05476	6.8
96.83974	0.3
97.02905	0.7
105.01862	1.1
105.07031	2.3
108.04498	0.4
109.02853	0.5
117.07029	2.2
119.04938	5.9
119.08594	1.1
120.33245	0.4
121.06490	4.6
127.03894	2.0
129.06999	0.8
131.08556	0.5
133.06488	19.3
133.10104	0.4
134.06830	0.4
137.05991	3.1
142.07759	2.1
145.04950	1.5
147.07967	0.4
147.11693	0.6
157.10121	15.0
158.10468	0.4
159.03024	0.4
160.08833	1.2
175.11177	100.0
176.11537	3.1
231.05045	1.5
249.06108	0.8
266.08591	0.4
284.09738	2.0
314.74088	0.3
371.85074	0.3
381.31778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	3.5
70.50907	1.3
70.51246	1.9
82.73513	1.2
84.08135	4.1
85.02902	1.4
86.09723	2.0
107.04765	1.1
110.09669	2.6
115.22079	1.1
123.73921	1.1
127.03918	1.8
138.87642	1.1
144.25211	1.3
147.04366	1.4
164.14363	1.9
166.36102	1.0
174.08969	1.5
182.11755	4.3
207.98515	1.2
260.25302	1.2
276.19275	1.4
289.10504	3.3
303.19577	1.2
330.16858	3.1
354.17145	1.2
364.18826	3.6
366.17136	1.3
371.14667	1.2
396.21405	18.9
407.70694	1.2
412.20859	4.4
418.22296	6.7
422.19388	11.8
423.19226	1.2
440.20435	100.0
441.21021	5.9
458.21475	98.3
459.21802	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	458.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25220	0.8
58.36736	0.9
68.41637	0.9
69.03416	2.6
69.07060	1.1
69.97288	2.1
70.06595	4.6
72.08143	3.9
73.02892	2.0
77.42359	0.8
81.03430	0.9
84.08144	3.9
85.02894	3.0
85.44041	0.8
86.09703	4.6
87.08098	1.7
95.08592	1.9
97.02898	2.1
110.09671	2.0
115.03908	2.9
127.03877	1.8
133.04933	1.8
134.09708	1.1
136.11252	1.0
137.65067	0.9
145.04987	1.8
147.10170	1.3
152.10686	1.3
164.14433	1.5
173.61311	0.9
174.08986	0.9
182.11818	3.4
185.12843	0.9
276.81635	0.9
289.10486	1.6
312.15891	1.2
320.18723	2.0
330.16772	3.3
342.16977	1.0
364.18811	2.9
366.16925	2.2
378.20459	2.5
389.15817	1.6
396.21426	20.2
397.21967	0.9
412.21017	2.5
418.22226	8.7
422.19260	12.1
423.19611	1.1
440.20435	100.0
441.20862	8.1
458.21442	90.8
459.21710	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	458.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61306	0.6
53.03947	1.5
55.01863	1.2
55.05516	0.7
56.05023	1.3
56.96560	1.1
57.03434	1.8
58.06596	1.2
58.69690	0.6
59.36759	0.8
61.02927	1.1
67.05523	1.9
68.05003	0.9
69.03427	9.2
69.07062	0.7
70.06592	3.7
70.20574	1.6
70.20939	0.9
71.04994	2.3
71.08646	1.5
73.02895	1.6
79.05486	1.8
80.05011	6.7
81.03414	22.3
81.07048	3.5
82.06596	1.9
83.01349	1.5
83.04987	1.2
84.08141	1.4
85.02907	15.4
85.06535	0.7
86.06055	1.2
86.09679	0.8
87.04480	2.6
91.03976	0.9
91.05470	2.1
93.07055	1.5
94.06598	1.9
95.04974	6.9
95.08630	1.2
96.08135	2.6
97.02879	5.2
97.06506	1.2
97.10221	0.6
98.06065	1.3
98.97623	0.8
99.04453	2.2
99.08090	1.7
100.07620	20.8
101.02402	0.8
105.07018	1.4
106.06583	0.8
107.04957	2.7
108.08110	1.8
109.02861	4.3
109.06522	3.3
111.04463	1.6
111.08082	3.5
112.11254	0.8
112.87534	0.8
113.06009	1.2
115.03926	7.0
117.09142	3.0
120.08177	1.4
121.02861	3.8
121.06508	1.3
122.09634	4.4
123.04424	2.1
123.08100	1.1
124.11196	1.6
126.09151	0.9
127.03953	6.1
127.07555	4.0
131.08604	1.2
133.04973	2.2
134.06035	0.8
136.07588	3.2
136.11261	0.7
137.05963	1.4
138.09126	3.7
138.12848	0.8
139.07541	1.2
140.10707	10.5
142.12254	3.4
145.04968	6.1
150.09093	1.0
154.12256	1.2
155.07030	2.0
156.10220	2.6
156.13838	15.8
158.11765	12.2
160.11220	0.9
163.03835	0.8
163.06039	1.5
164.14397	1.3
165.05484	2.0
166.12337	1.8
168.10229	1.0
177.05449	1.2
182.08090	4.0
182.15451	2.0
184.09708	2.7
184.13336	17.6
186.12775	1.4
193.08623	0.7
195.06514	1.1
198.07887	0.8
203.06969	0.7
212.12852	1.9
235.09555	0.8
242.15657	0.9
254.17505	1.2
259.08279	0.8
260.16528	1.2
268.19293	1.1
277.09381	0.8
278.17596	4.0
278.20331	0.7
279.08618	2.1
290.47049	0.8
291.03696	0.9
296.18533	12.7
296.21872	1.2
305.49081	0.8
306.16830	1.1
308.18762	0.9
368.18033	0.8
386.19553	2.8
394.22354	1.4
412.23184	0.9
422.21729	2.6
430.24191	1.1
440.22778	58.0
441.23245	2.1
458.17685	59.6
458.23825	100.0
459.18045	3.2
459.24136	4.9
476.18768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
56.05030	0.7
57.03433	1.2
58.06603	0.9
59.54956	0.7
61.20472	0.6
67.05482	1.2
68.05029	1.7
69.03423	4.1
70.04631	1.1
70.06591	1.8
71.04986	2.1
71.08622	2.1
72.08147	1.3
75.08781	0.6
79.05501	0.9
80.05015	6.4
81.03416	28.5
81.07038	3.6
82.06582	1.3
83.01342	1.6
83.04955	0.6
84.04491	1.0
84.08129	1.0
85.02908	3.0
86.06068	1.8
86.09719	0.8
91.05497	1.4
93.07047	1.6
94.06594	0.6
95.04965	5.8
95.08594	0.8
96.08149	1.5
97.02864	1.5
98.06051	1.1
99.04454	1.5
99.08093	1.5
100.07619	26.7
105.07008	0.7
109.02871	1.1
109.06508	4.3
111.08053	1.4
113.06017	1.2
115.03926	2.0
119.08593	0.9
120.08111	2.2
121.06496	0.8
122.09674	1.0
123.04426	1.0
124.11220	2.2
126.09145	0.6
127.03934	2.1
127.07544	4.0
130.06517	0.8
135.04433	1.4
136.07596	0.6
136.11211	0.6
137.05994	1.8
138.09131	3.5
138.12781	1.4
139.07590	0.8
140.10678	0.9
141.05447	1.3
142.12260	7.7
143.03358	0.5
145.04919	1.0
147.07906	0.8
148.07603	0.9
150.09105	0.7
154.12244	1.6
155.07027	2.3
156.10176	1.7
156.13835	23.4
157.14153	0.7
162.12790	0.7
164.05748	0.6
164.10777	0.7
166.08617	1.0
166.12292	2.1
167.06956	0.9
169.08600	0.6
170.11896	0.6
180.13841	0.8
182.15387	0.8
184.09811	3.2
184.13329	27.8
186.12761	3.0
189.09146	0.6
202.10791	2.1
204.13922	0.6
208.13367	0.9
212.12808	1.8
219.09970	0.7
224.12840	1.1
235.09619	1.1
236.16559	1.2
242.15364	1.3
254.17432	1.8
263.09152	1.5
268.19073	1.5
278.17606	1.1
296.18814	0.6
296.22214	1.6
309.17261	1.2
358.20410	0.6
376.21237	0.8
386.19751	3.7
394.22198	2.4
404.20502	1.6
412.23367	1.4
422.21704	13.3
440.22794	83.1
441.23114	3.5
458.17194	12.3
458.23730	100.0
459.18030	0.7
459.24078	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	458.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
58.06573	0.5
67.05506	1.2
68.05025	0.4
69.03433	4.0
70.06590	4.7
70.18980	0.4
70.89117	0.5
71.05004	3.1
72.08140	1.3
79.05488	1.4
80.04994	0.7
81.07058	1.1
82.06557	0.8
82.88177	0.4
83.04955	0.6
84.08131	2.3
85.02921	0.5
85.06535	5.2
86.06086	0.7
87.02173	0.4
87.04487	0.7
91.05460	0.7
93.07041	1.3
94.06541	0.6
95.04956	0.7
95.08609	1.2
96.08118	1.5
97.06536	1.2
97.08911	1.3
99.04458	1.9
100.07603	0.8
105.07008	0.7
107.08579	0.8
108.08120	0.4
109.06521	1.1
109.10170	0.7
110.09689	1.6
111.08070	5.3
119.08569	1.1
120.08160	0.5
122.09663	1.0
123.08074	1.0
124.11231	1.3
125.06003	0.9
129.10249	0.5
134.09654	1.7
136.11214	6.7
137.09692	1.0
138.12793	1.3
145.10147	0.5
147.07788	0.3
148.11252	0.4
149.09590	0.5
149.13213	0.5
150.09152	1.1
150.12808	1.0
152.10703	13.6
154.12271	4.9
160.11211	0.5
162.12810	0.9
164.14357	2.0
165.09088	2.0
166.12341	0.8
168.10239	1.6
170.11826	1.5
180.13806	2.9
182.11749	4.4
183.10201	0.6
184.13338	0.7
185.27977	0.4
186.11209	0.6
190.15947	0.6
192.17506	0.4
198.15106	0.6
200.12823	0.6
204.13898	0.4
208.13416	0.7
228.12729	0.4
234.14946	1.7
236.12776	0.7
236.16446	3.3
252.15935	7.0
254.17499	1.2
264.19580	0.9
278.17508	3.5
292.19080	0.4
296.15222	0.7
296.18521	3.5
308.18680	0.8
310.20221	0.6
322.20016	1.0
334.20087	1.5
340.21185	1.8
350.19751	1.2
352.21210	12.3
368.20633	1.5
369.21390	5.7
370.22229	38.9
371.22525	1.6
378.22775	0.7
387.22766	0.7
394.22208	2.1
396.23618	0.6
412.23395	3.1
440.22839	2.9
458.23834	100.0
459.24243	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	458.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03939	0.4
55.05512	3.1
57.07064	0.3
65.03947	0.7
67.05502	2.0
68.41137	0.3
69.03419	1.0
69.07064	3.8
70.06590	1.8
73.02894	0.4
77.03918	0.4
79.05482	1.9
81.03412	1.2
81.07054	5.7
81.10557	0.2
82.07365	0.2
83.08611	1.5
84.13808	0.2
85.02892	2.7
87.00818	0.7
91.05479	14.0
93.07044	3.6
95.04963	0.7
95.08605	9.1
96.08929	0.3
97.02908	1.7
98.22701	0.6
99.04461	0.4
103.05455	1.6
104.06239	0.9
105.01859	1.5
105.04536	0.5
105.07026	19.8
106.07327	0.2
107.08591	17.5
108.08907	0.3
109.02890	0.9
109.06532	0.8
109.10146	1.3
115.05449	0.5
117.07018	5.7
119.08575	100.0
120.08882	2.2
121.10149	1.7
121.26170	0.2
127.03921	2.1
131.08553	1.3
132.90993	0.2
133.10127	11.4
134.10487	0.3
135.11720	0.4
145.04965	1.5
145.10083	0.5
147.11662	2.2
159.02930	0.5
173.13321	0.3
175.14815	31.9
176.15221	1.1
192.49225	0.3
203.71954	0.2
231.04980	0.7
249.05975	0.4
269.46118	0.2
334.06686	0.3
458.17764	0.2
458.25647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	0.5
57.04165	0.4
58.06627	0.4
62.57959	0.3
67.05514	1.0
68.05024	0.6
69.03421	2.2
69.23175	2.2
70.06596	3.5
71.04996	2.9
71.14689	0.3
72.08156	1.0
79.05500	0.8
80.05011	0.7
81.07050	0.8
82.06586	0.5
84.08152	2.1
85.02871	0.6
85.06541	6.9
87.04465	0.9
91.05480	1.0
91.25398	0.5
93.07043	1.6
94.06575	0.7
95.04951	0.9
95.08629	0.7
96.08138	0.9
97.06546	1.1
97.08923	0.9
98.06096	0.4
98.23450	0.7
99.04453	1.6
105.07043	0.9
107.05040	0.5
107.08611	0.8
109.06519	1.0
109.10136	0.4
110.09693	1.3
111.08076	3.7
119.08588	0.7
120.08083	0.4
121.06535	0.5
121.10132	0.6
122.09695	1.2
123.08076	1.0
124.11244	1.0
125.06005	0.7
125.09619	0.7
125.12008	0.7
129.10252	0.3
131.08588	0.5
134.09660	1.0
135.08047	0.4
136.11224	4.8
136.73776	0.3
137.05988	0.5
137.09637	0.8
138.12788	1.3
147.07988	0.4
148.11230	0.4
150.09163	0.8
152.10692	10.1
152.14323	0.7
154.12265	4.3
155.95396	0.5
162.12823	1.0
164.14389	3.3
165.09059	0.9
166.12283	0.6
166.15988	0.8
168.10188	0.9
170.11786	1.6
180.13820	2.3
181.08583	0.5
182.11766	3.3
183.10147	0.5
184.13336	1.0
208.13417	0.5
234.14825	1.7
236.12791	0.8
236.16438	2.6
252.15924	7.5
254.17603	1.3
264.15799	0.4
264.19580	0.9
266.17697	0.4
278.14505	0.4
278.17450	2.2
296.15274	0.8
296.18619	2.1
308.18515	0.9
310.20087	0.5
320.18161	0.5
322.20209	0.8
334.20270	1.3
340.21149	1.8
350.19778	1.1
351.20547	0.4
352.21170	10.2
368.20795	1.3
369.21494	7.6
370.22247	32.6
371.22592	1.5
378.22565	0.6
387.22672	0.6
394.22351	1.4
396.23633	0.9
412.23398	3.0
422.21747	0.6
440.22855	1.6
458.23871	100.0
459.24243	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	458.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01871	1.3
55.05511	6.3
57.03447	1.1
61.02923	1.0
62.54697	0.6
65.03965	0.7
67.05506	2.1
69.03429	4.8
69.07069	10.4
69.30719	3.1
70.06597	1.4
71.04993	1.1
73.02926	1.2
77.03917	0.6
79.05499	2.6
81.03428	4.6
81.07062	5.5
83.08614	3.8
85.02904	13.5
87.00820	3.9
87.04469	0.8
91.05486	11.3
93.07040	4.2
94.62457	0.6
95.04984	0.8
95.08605	8.4
97.02882	4.1
98.23394	1.5
99.04449	1.9
100.17650	0.5
103.05469	1.6
105.01865	4.1
105.07034	23.7
107.08596	16.8
109.02898	2.7
109.10146	1.4
115.03953	6.1
117.07034	4.5
119.08584	100.0
120.08875	0.9
121.10159	4.5
127.03918	7.5
131.08565	1.4
133.04961	2.2
133.10132	28.6
134.10466	0.8
135.11681	2.2
141.04918	0.6
145.04970	7.3
145.10136	1.9
147.11705	3.8
159.02917	1.4
167.90379	0.6
173.13268	2.2
175.14822	84.6
176.15147	2.0
182.08534	0.6
192.14659	0.6
193.15877	1.1
231.04988	1.3
249.05919	1.3
259.08014	0.8
277.09183	0.9
305.56744	0.6
311.19086	0.6
343.18683	0.7
360.71078	0.6
363.16815	0.6
379.51523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80473	0.2
54.90334	0.2
57.03407	0.3
67.05493	0.5
69.03432	1.1
69.61026	0.7
70.06582	3.2
71.04984	0.3
72.08154	0.3
80.05031	0.5
82.06599	0.4
83.07349	0.3
84.08142	2.0
85.02902	0.4
86.09706	0.2
87.04453	0.4
93.07034	0.3
96.08129	2.2
97.02884	0.3
98.06064	1.6
108.08106	0.8
110.09666	2.2
120.08079	0.5
122.09664	6.0
124.11181	0.5
125.09657	0.3
126.05528	1.0
134.09676	1.5
136.11201	3.8
137.11995	6.7
138.12773	24.4
139.13129	0.4
147.11697	0.3
148.11238	0.4
149.57047	0.3
162.12831	0.6
167.11815	0.4
176.14384	2.0
177.15089	0.4
178.15875	0.6
180.17477	0.6
191.16702	0.8
195.11240	0.6
204.17433	0.5
208.17114	0.3
222.21150	0.2
232.13474	0.3
232.20624	1.9
236.16539	0.9
248.20024	0.4
250.21655	18.1
251.22079	0.5
254.17555	1.1
261.52380	0.3
264.17010	0.3
276.19568	0.4
278.21136	15.2
279.21283	0.4
280.48270	0.3
294.20773	0.5
296.22186	22.7
297.22583	1.1
320.22165	1.9
338.23239	4.2
348.21744	0.3
362.23157	0.4
398.25137	0.5
422.25427	2.8
440.26465	8.6
441.26758	0.4
458.27515	100.0
459.27939	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	458.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
61.02903	0.4
63.16352	0.4
67.05505	0.8
69.03415	1.7
70.06590	36.0
71.04992	0.7
71.06926	1.6
72.08157	1.0
80.05020	0.6
81.07051	0.5
82.06600	0.7
83.07370	0.4
84.08126	2.0
85.02892	0.8
86.09697	1.3
87.04478	0.6
88.07347	0.3
91.05482	0.4
95.08624	0.9
96.08138	2.0
98.06054	8.5
99.04449	0.6
99.06426	0.4
107.08633	0.5
107.57024	0.4
108.08111	0.4
110.09661	1.8
111.08076	1.1
120.08113	0.4
122.09654	5.5
124.11217	0.8
126.05520	6.3
127.05836	0.6
134.09674	1.4
136.11211	3.4
137.11998	5.1
138.05275	0.6
138.12772	19.7
142.12354	0.4
151.07506	0.4
152.10718	0.6
162.12798	0.7
164.14421	0.6
167.11819	1.4
173.74574	0.5
174.48479	0.4
176.14377	1.7
177.05441	0.4
178.15894	0.4
180.17410	0.4
182.11798	0.5
189.10144	0.4
195.11298	2.8
204.17328	0.4
206.29427	0.4
213.12306	0.4
232.13327	0.9
232.20654	1.2
236.16418	0.5
250.21637	14.8
276.19513	0.4
278.21136	10.2
279.21631	0.5
290.17426	0.4
296.22189	39.1
297.22641	1.7
320.22064	2.5
330.16779	1.2
332.15878	0.9
338.23245	4.4
350.23322	0.8
360.68744	2.8
361.18863	1.5
368.24310	1.4
380.24319	1.1
383.20746	0.6
398.25256	3.3
409.21341	5.1
409.71509	3.4
410.21753	1.0
422.19717	0.5
422.25220	1.4
426.24924	0.6
429.21042	1.0
440.20499	3.4
440.26410	7.8
441.20944	0.5
457.74045	5.0
458.21725	9.3
458.27487	100.0
458.74002	0.9
459.21863	1.0
459.27789	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	458.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01871	0.8
55.05509	1.5
56.05032	1.4
59.04995	0.5
60.27065	0.4
67.05499	2.7
68.05013	1.3
69.03426	3.0
69.07075	0.6
70.06593	2.7
71.04993	4.1
72.08147	0.5
79.05490	1.5
80.05016	11.5
81.03423	0.8
81.07037	2.0
82.06583	1.1
83.04974	1.0
85.02907	2.6
85.06540	1.1
86.06084	0.5
87.04449	0.6
88.50134	0.4
91.05477	1.4
93.07043	2.8
94.06567	1.9
95.04965	5.8
95.08589	2.8
96.08134	3.3
97.02885	1.3
98.06057	1.7
98.09696	0.4
99.04465	2.7
100.07628	0.9
101.06023	0.9
105.07042	2.0
106.06540	0.5
107.08602	1.2
108.08157	0.5
109.02908	0.7
109.06510	1.7
109.10150	0.9
111.08092	1.3
115.03941	1.5
115.07581	1.3
117.07058	0.5
119.08578	2.3
120.08106	3.6
121.06546	0.7
121.10149	0.9
122.09663	1.0
123.04419	1.6
123.08125	1.0
124.07587	0.7
124.11234	0.9
125.05946	0.8
127.03938	1.2
127.07556	4.4
131.07051	0.7
131.08568	1.0
133.10141	0.9
134.09651	0.6
135.08043	1.1
136.07608	0.5
137.05989	1.7
137.09621	0.6
138.09132	4.6
138.12831	0.6
139.07547	1.1
140.10722	2.5
141.05486	0.6
141.09094	0.6
142.12280	4.9
143.08588	0.8
145.04932	0.5
145.10133	1.1
146.09608	0.5
146.85205	0.4
147.11714	0.9
148.07591	3.4
148.11269	0.7
150.09166	1.0
151.07558	0.6
155.07095	0.8
156.10240	1.3
157.10101	0.5
159.11656	0.5
161.09610	0.6
162.03151	2.0
162.09225	0.5
164.10698	0.7
166.08614	0.6
169.08554	0.9
177.05482	1.9
180.10193	1.5
182.04965	0.5
182.11789	1.3
184.09633	3.5
186.67471	0.5
193.15944	0.6
198.11305	1.4
200.12862	2.8
208.02853	1.1
216.12196	0.9
249.03995	1.9
278.21182	0.9
292.19211	0.5
296.22241	2.6
296.25272	0.5
296.64618	0.4
312.57590	0.5
318.20740	0.5
322.19885	0.6
327.08795	0.7
330.16931	0.5
336.21716	2.7
338.23462	0.7
340.21341	1.2
351.30911	0.5
362.23251	1.4
380.24326	6.9
398.25534	0.5
408.23715	0.9
412.48810	0.4
422.25687	2.4
422.30142	0.5
426.24921	6.1
440.21259	1.4
440.26575	15.3
441.26764	0.9
458.21887	7.8
458.27521	100.0
459.09018	1.5
459.17828	0.6
459.22470	0.6
459.27875	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	3.3
88.73582	0.9
96.28990	0.8
98.97582	98.7
110.37888	0.8
110.97574	22.8
110.98296	1.5
112.89585	1.5
114.89353	4.6
116.89127	13.3
116.98624	30.1
128.98593	17.5
134.99654	5.5
146.99622	5.8
158.99654	92.2
160.00078	0.9
170.99655	27.7
177.00713	53.3
189.00702	33.2
195.01814	3.0
200.02327	0.9
201.00777	3.1
207.01761	11.7
218.99635	1.9
219.01758	38.0
220.02187	0.9
231.01807	6.2
237.02753	5.9
249.02795	21.9
249.05284	1.2
261.02911	1.9
279.03873	100.0
280.04294	3.6
291.03864	4.0
296.95309	1.6
297.04971	6.2
309.04932	17.3
338.96078	1.2
339.05911	4.1
349.44040	0.8
350.96323	2.1
412.93237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01868	6.4
55.05510	22.7
56.96570	4.5
57.03436	4.5
65.03944	1.4
67.05506	24.7
69.03434	5.7
69.07072	7.8
71.04996	4.0
71.43314	1.0
77.03917	1.5
79.05492	29.7
81.03417	56.5
81.07054	22.8
83.04985	6.4
83.08614	14.7
84.96042	3.8
85.02916	2.4
85.06555	3.7
91.05486	25.4
91.06059	1.4
93.07049	15.7
93.07600	1.5
95.04971	19.9
95.08613	14.2
97.02899	2.0
97.06535	3.9
97.10174	10.3
98.97573	15.4
99.08109	2.0
101.08879	1.0
103.05487	1.6
105.07032	19.0
105.07731	1.2
107.04969	14.0
107.08599	13.9
109.02878	1.9
109.06502	5.8
109.10149	8.9
110.97609	3.6
111.04455	1.8
111.08081	7.4
115.05475	3.0
116.98631	6.3
117.07038	7.2
119.04973	2.0
119.08588	13.2
121.06511	10.9
121.10141	7.0
123.04436	3.0
123.08035	5.5
123.11676	1.1
125.06064	1.4
125.09624	10.6
127.03940	1.2
128.06233	3.7
128.98589	4.7
129.06985	13.2
130.07738	0.9
131.04912	5.5
131.08583	12.0
133.06493	6.4
133.10098	7.4
135.08089	4.6
135.11746	4.4
137.06035	1.7
137.09633	4.4
139.84035	1.1
141.07034	3.3
142.07805	2.8
143.00195	2.8
143.08594	3.8
144.05725	1.2
145.06485	21.2
145.07553	1.5
145.10120	4.7
147.04431	1.7
147.08092	7.3
147.11659	6.3
149.09669	6.2
151.07550	2.6
152.98679	1.4
153.09135	3.3
153.12732	1.6
155.08600	4.6
157.06451	5.1
157.10120	9.0
158.99712	3.0
159.08101	5.5
159.11732	3.7
161.01170	1.1
161.06010	3.0
161.09712	3.1
163.11205	2.7
163.14879	1.0
165.09113	6.2
165.12767	1.8
167.08664	2.8
169.06459	1.5
169.10159	4.4
170.99686	1.8
171.08031	6.4
171.11763	4.1
173.09648	2.2
173.13232	1.7
175.11176	9.1
175.14812	1.7
177.00732	1.7
177.12781	1.3
181.10178	2.6
183.08073	2.7
183.11699	1.7
184.08987	1.1
185.09750	2.3
185.13315	1.7
187.11269	2.0
187.14886	2.1
189.09669	1.0
189.11246	4.9
189.12784	2.3
193.12228	29.9
193.15961	2.7
195.08055	2.6
195.11781	4.2
197.09686	2.4
197.13330	3.9
199.11166	1.5
201.00789	1.6
201.12779	1.2
205.12297	2.3
209.13394	1.4
211.16977	3.7
213.12849	2.3
215.14433	3.0
217.12227	1.3
218.78966	0.9
219.01768	6.2
223.11310	1.5
223.13319	1.7
225.12814	3.1
227.14386	4.5
231.53787	1.1
233.15457	4.3
237.02832	11.6
237.12756	3.2
239.14392	1.2
243.13875	1.6
245.10701	2.0
245.15498	1.2
249.14828	4.7
251.05667	1.0
255.13881	5.6
257.10742	3.0
269.15366	1.5
271.12231	1.8
271.16965	1.2
273.14850	17.6
281.15601	2.8
283.16901	1.4
287.16232	1.5
295.16974	1.0
297.76724	1.2
299.16467	1.4
311.16608	1.3
321.22070	1.2
329.12985	1.2
339.23160	5.0
349.21606	13.0
357.24414	2.9
367.22662	35.7
368.23499	1.2
370.04800	1.2
373.15353	13.7
385.23743	33.8
391.16364	15.2
403.24893	7.7
405.24176	2.7
415.16891	12.9
423.25397	1.8
433.17618	5.3
441.26227	7.6
459.16400	100.0
459.27307	96.2
460.16901	2.2
460.27802	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78189	1.4
55.01867	1.7
55.05511	7.8
57.07076	3.0
59.05006	1.8
67.05511	13.8
69.03434	8.7
69.07081	11.0
71.04993	3.0
72.08192	1.5
73.54522	1.3
76.19750	1.4
79.05510	1.7
81.03403	3.3
81.07067	15.1
83.04997	9.9
83.08618	6.7
85.02919	6.3
85.06560	2.0
87.00851	2.0
91.05488	3.7
93.07059	7.0
94.07430	1.4
95.05019	1.4
95.08612	25.9
97.02897	2.7
97.10201	1.6
99.04453	2.2
99.08105	2.5
100.05041	1.3
105.01878	2.5
105.07040	4.7
107.08607	17.1
109.02830	1.5
109.06527	8.6
109.10158	91.1
111.08059	2.5
114.65844	1.5
119.08575	31.3
121.10152	10.5
123.08075	11.8
123.11744	7.5
127.03905	1.6
127.11233	1.7
133.10133	18.2
135.11696	81.3
137.09608	16.1
139.11143	1.9
145.05011	1.5
149.13286	5.8
151.11194	9.7
151.14804	12.5
153.12746	2.6
165.16435	2.7
175.14810	35.2
193.15895	45.6
211.16937	100.0
424.22766	1.5
429.69501	1.7
442.37750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01876	1.7
55.05508	8.1
55.12429	0.7
57.03436	1.9
57.07070	2.8
59.04993	1.8
61.02939	0.9
67.05505	15.2
68.81016	0.8
69.03425	8.8
69.07072	13.5
69.30497	4.3
70.16720	0.8
71.04980	3.6
79.05494	2.7
81.03409	3.3
81.07061	17.9
81.07505	1.7
83.04988	7.3
83.08615	5.6
85.02911	9.5
85.06541	3.3
87.00823	3.4
87.08083	1.0
91.05506	1.9
93.07043	9.6
95.04976	1.6
95.08606	28.3
97.02905	3.7
99.04428	1.0
99.08089	5.5
105.01868	2.4
105.07024	5.5
107.08591	23.5
107.79759	0.9
109.02879	2.5
109.06522	7.8
109.10159	100.0
110.10497	2.5
111.08078	2.2
113.09619	1.6
117.07105	0.9
119.08582	38.2
121.10148	12.6
123.08064	11.5
123.11721	7.4
125.09658	0.9
127.03944	6.6
127.11125	1.1
133.09184	1.2
133.10133	18.8
135.11693	96.0
136.12029	1.1
137.09607	13.9
139.11153	2.1
145.04939	1.6
147.11722	1.0
149.13284	5.8
151.11188	8.1
151.14809	9.8
153.12770	2.6
159.02855	1.3
165.16350	2.2
175.14828	39.8
193.15881	60.3
194.16287	1.4
211.16933	63.9
212.17166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	23.9
57.03440	12.4
57.07079	11.2
57.88986	1.0
59.91837	1.1
67.05505	19.8
69.07071	31.7
69.75843	2.0
69.76228	2.4
71.08629	6.1
77.44442	1.0
79.05505	7.8
81.06619	1.9
81.07061	20.7
81.46346	0.9
83.04971	1.4
83.08620	23.0
85.10199	2.8
88.98736	1.1
91.05484	1.4
93.07049	10.7
95.08611	18.8
97.06519	3.5
97.10173	9.7
104.99315	1.0
107.08584	7.8
109.10172	9.4
111.08092	2.2
111.11721	3.3
120.96645	69.6
121.10168	8.8
123.11726	3.1
125.09647	1.1
134.98219	2.6
135.11688	6.7
149.13272	2.0
152.77518	1.0
163.86421	1.0
195.00287	5.3
196.69055	0.9
238.69179	0.9
252.62094	1.2
339.28946	100.0
340.29309	5.8
361.27118	15.7
377.26791	3.3
441.24353	1.6
459.24850	74.1
459.30750	8.1
460.25357	5.3
464.69141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80084	2.2
55.05515	28.3
57.03441	15.8
57.07076	10.7
67.05495	18.8
69.07071	39.8
70.55917	2.4
71.08622	8.4
79.05508	8.3
81.07051	21.2
83.08612	18.5
85.10175	4.2
93.07052	11.6
95.08623	17.8
97.10180	14.3
99.08112	3.0
107.08623	10.2
109.10162	7.0
111.08089	3.0
119.08617	5.7
119.27702	2.4
120.96642	61.5
121.10165	11.1
135.11687	7.3
145.02884	6.5
149.13304	3.5
177.05476	5.2
179.75194	3.0
189.26282	3.0
190.21919	3.3
195.00339	6.7
307.55353	2.7
339.28955	100.0
361.27075	14.3
394.36057	2.9
459.24844	94.1
459.30960	7.4
459.42004	3.4
460.25311	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59344	1.3
53.44576	1.2
65.59895	1.1
67.05485	1.5
69.76191	3.0
69.76576	2.2
71.04987	2.2
83.01333	2.3
95.08616	2.3
99.04465	16.2
99.79361	1.1
119.36224	1.1
146.09660	8.0
155.03392	100.0
156.03734	2.7
158.09671	4.3
159.10458	4.4
160.11272	1.8
167.07043	3.8
172.11252	8.0
184.11229	2.8
186.12759	8.3
187.13562	5.1
200.10568	1.9
214.15891	10.8
218.11797	6.3
219.05603	1.4
230.11847	1.3
232.13414	3.9
246.90524	1.4
260.16470	66.3
261.16788	3.6
274.97562	1.5
328.15436	1.4
338.17480	1.3
368.18527	3.7
414.19107	95.0
415.19489	6.5
459.23758	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	459.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08278	0.4
56.05028	0.4
60.04526	12.4
67.05540	0.4
69.07075	5.8
70.06595	1.7
72.08138	0.6
77.60973	0.4
81.03416	0.5
84.04510	0.5
84.08151	1.1
86.06085	3.1
86.09709	100.0
87.05592	0.7
87.10042	1.6
91.05475	0.8
91.88126	0.3
98.06065	0.5
100.11192	0.3
105.07066	0.4
110.64809	0.4
114.05528	3.4
116.35828	0.4
117.07084	0.4
119.04973	0.7
121.06518	0.5
127.12332	0.5
128.10733	1.2
133.06517	0.9
134.06897	0.5
137.05952	0.8
138.09126	1.1
141.06593	3.5
141.71252	0.4
146.11768	5.0
151.07578	0.7
155.11818	1.1
157.10110	0.5
158.10471	1.0
162.34563	0.4
173.12871	7.0
175.11168	3.4
176.11517	4.6
183.07664	6.7
200.10333	0.5
201.08734	4.2
201.12360	1.6
202.20041	0.4
202.83995	0.3
239.10887	0.4
259.20166	2.7
268.16577	7.1
286.17627	5.9
296.16077	10.2
314.17111	3.2
459.16360	3.2
459.22147	0.7
459.28802	0.5
460.16324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
53.16600	2.2
55.01880	3.0
55.05511	49.4
57.03439	34.5
57.07076	40.7
57.94647	2.2
63.86470	1.9
67.05507	62.8
69.03441	2.8
69.07066	70.3
69.48829	3.2
69.49165	8.5
70.77826	2.1
71.05003	5.3
71.08637	21.5
73.06566	4.0
75.04472	9.4
79.05481	26.6
81.07054	69.6
83.04966	6.2
83.08622	46.4
85.06554	4.6
85.10185	13.8
91.05479	7.5
93.07043	33.7
95.08608	81.1
97.06541	16.5
97.10159	33.6
98.23445	4.8
99.08109	2.3
105.07019	4.0
107.08594	27.9
109.10152	30.7
111.08099	12.0
111.11726	8.0
111.91699	2.2
113.06029	4.1
115.07619	2.5
119.08606	6.1
119.18946	2.0
121.10149	34.5
123.11687	12.9
124.17872	2.3
125.09649	9.1
129.09172	2.7
131.07042	6.0
133.10126	4.7
135.11691	21.2
137.13258	6.7
139.11165	6.2
143.10748	2.8
149.13219	13.9
153.12766	8.0
161.13255	4.2
163.14813	10.4
167.14357	3.8
171.13866	4.2
175.14806	3.6
177.16417	5.6
181.15938	3.7
191.17906	3.0
193.15875	3.1
195.17418	5.2
211.44347	2.2
247.24223	9.2
265.25330	18.7
275.23712	7.1
293.24646	17.1
293.91736	2.3
311.25912	2.5
329.26846	100.0
330.27335	4.5
332.29156	2.7
367.28421	50.5
385.29459	67.6
386.29752	3.5
393.39240	2.5
410.83160	2.3
441.32016	25.8
459.33029	70.3
460.33249	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	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56610	0.2
69.03428	0.4
69.55357	0.6
69.55744	0.4
72.13702	0.2
81.03431	0.5
85.02897	0.5
87.00822	0.3
90.21811	0.2
91.05481	3.2
92.92300	0.2
93.07077	0.4
97.02895	0.3
98.23476	0.3
103.05456	1.3
105.01871	0.2
105.07023	0.3
107.04956	0.8
109.06572	0.5
115.05448	2.7
116.06240	0.5
117.07026	6.5
119.04972	0.8
119.08609	0.4
121.06507	10.3
127.03930	0.4
130.04138	0.3
131.04922	4.6
132.05678	0.6
133.06477	1.7
134.07283	1.0
137.06004	0.5
144.05730	0.4
145.06488	3.2
145.07576	0.4
146.07268	31.1
147.04408	0.6
147.08089	3.2
148.08774	0.3
149.05986	0.5
149.09619	1.7
151.07561	1.7
161.05923	0.7
162.06754	5.6
164.08415	0.3
168.93178	0.2
177.09106	100.0
178.09454	3.8
179.10667	2.3
192.89372	0.3
221.68758	0.2
248.07967	0.3
422.69168	0.2
428.18033	0.4
460.26840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.5
60.04517	0.4
64.91927	0.3
69.03423	0.7
69.98821	0.3
70.06593	1.9
70.82059	0.4
72.08148	2.3
74.06080	0.5
77.18652	0.3
79.05488	0.6
84.04518	0.9
84.08142	2.6
85.02924	0.3
86.09707	2.2
91.05479	0.5
93.07062	1.1
95.04982	0.6
97.02894	0.3
102.05547	0.4
103.04844	0.7
103.05467	6.3
106.05044	0.4
107.04961	1.3
118.06562	0.4
120.08106	100.0
121.08479	2.2
129.10246	1.8
130.04977	0.4
131.04922	2.7
133.06068	0.5
147.07719	0.5
149.05960	2.0
163.03868	1.9
166.08638	57.2
167.08998	1.3
184.85162	0.3
222.04562	0.4
298.20074	0.5
373.35126	0.4
420.68820	0.3
424.23428	0.4
442.24088	0.7
460.25006	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	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55624	0.2
65.03934	0.2
68.41457	0.2
69.76122	1.2
72.13410	0.3
79.05495	0.4
82.79947	0.3
91.05484	5.4
93.07037	1.0
95.04966	0.7
104.06284	0.4
105.07015	0.4
107.04940	1.8
109.06525	1.6
112.45009	0.2
114.58701	0.3
115.05454	2.3
116.06277	0.4
117.07014	3.6
119.04904	0.7
119.06054	0.3
119.08547	0.7
121.06503	27.4
122.06802	0.9
123.04414	0.6
131.04916	1.1
132.05714	0.6
133.06520	0.7
134.07263	1.0
135.04431	0.6
135.08005	0.3
135.33644	0.3
137.05980	1.3
144.05736	1.1
145.06490	1.9
146.07274	5.8
147.04398	1.6
147.08049	4.4
149.05978	1.8
149.09616	4.4
151.07504	0.8
159.08040	0.5
161.05980	1.0
162.06760	5.0
177.09105	100.0
178.09422	2.9
347.20416	0.3
460.19897	0.4
461.17813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03946	7.2
55.01870	8.8
55.05511	0.6
55.37936	0.4
57.03442	5.1
60.04518	1.0
61.02925	4.8
62.84714	0.4
65.03944	0.5
68.99801	2.8
69.03429	25.1
70.03773	0.5
70.06593	1.0
71.01350	0.7
71.04998	3.8
73.02909	7.2
79.05503	1.2
80.05032	0.7
81.03417	26.7
82.03757	0.5
83.01326	0.8
83.05005	0.4
84.04520	0.6
85.02904	69.9
86.03211	0.5
87.00829	28.5
87.04472	0.9
91.03933	2.2
91.05475	1.1
91.56809	0.4
93.07018	0.5
97.02892	27.5
98.06034	0.6
99.04451	12.3
103.03929	0.8
103.05463	6.6
105.01868	27.8
105.07039	2.6
107.04955	7.6
108.04474	9.8
109.02882	28.6
115.03934	0.9
117.01846	3.7
117.06966	0.5
120.05730	0.7
121.06500	1.8
126.05504	3.6
127.03912	51.5
128.04253	0.7
129.01833	2.9
131.04938	1.5
133.06482	0.7
135.08043	6.5
139.03903	3.3
144.06566	0.8
145.04962	23.5
147.02852	1.8
154.06244	26.1
155.06592	0.6
159.02882	16.6
159.08014	0.6
163.07539	26.0
164.07854	0.8
167.07016	1.6
173.05949	0.5
177.03947	0.8
180.07829	1.2
189.03915	0.9
193.08626	0.5
195.10162	100.0
196.10472	2.9
201.68642	0.5
202.12166	0.6
203.13007	0.6
207.10211	1.0
212.05539	0.8
213.03934	3.4
219.10135	0.9
230.06535	2.7
231.04990	11.4
232.05313	0.4
245.11703	1.9
246.11351	0.5
248.07658	6.8
249.06062	1.4
257.11600	0.5
263.12772	2.7
266.08661	2.0
285.11185	0.8
303.12201	1.6
460.17996	1.4
460.27362	0.6
461.17294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01870	4.5
55.05514	1.0
56.70839	1.0
57.03439	6.3
61.02934	9.3
69.03435	29.0
71.05000	2.9
73.02921	10.9
81.03428	19.4
81.07076	1.1
85.02910	100.0
87.04475	19.4
90.06844	1.1
91.03955	8.1
93.24820	1.1
97.02896	32.2
99.04463	8.0
103.03946	5.6
107.08676	1.2
109.02881	15.5
115.03935	76.7
116.04236	1.3
116.30605	1.0
127.03924	45.5
133.04976	33.6
145.04967	72.4
146.05344	2.0
157.04945	1.1
163.06026	11.7
166.12158	1.3
212.12813	1.6
217.07115	2.3
241.07043	1.9
257.08112	1.2
259.08133	15.9
277.09167	16.7
298.20023	2.1
438.85492	1.1
460.19348	12.5
465.42587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.9
57.05818	0.9
58.10480	0.4
61.33730	0.4
69.03439	0.8
69.15315	0.3
71.52074	0.4
72.08154	100.0
73.08491	0.9
85.02901	2.5
97.02889	0.9
118.08654	84.7
119.08993	0.7
127.03925	1.7
145.04973	1.5
163.05968	0.6
215.81903	0.3
223.66414	0.4
293.20587	0.4
460.25137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80003	0.3
53.03937	0.7
55.01867	1.5
57.03432	0.9
61.02925	1.0
65.03939	0.7
68.99789	0.5
69.03427	5.7
69.26672	0.3
69.39695	1.3
71.04987	0.8
71.50955	0.3
73.02922	1.0
75.56950	0.3
81.03415	3.5
85.02905	14.9
86.57237	0.3
87.00831	6.6
91.05479	21.3
92.05832	0.4
93.07047	5.5
97.02894	4.2
99.04444	2.1
101.02354	0.3
105.01865	9.1
105.07044	1.9
106.04173	0.5
107.04950	1.0
108.04480	0.5
109.02876	4.2
109.06522	3.8
117.01894	0.5
119.06068	3.3
121.06504	100.0
122.06830	1.5
127.03026	0.6
127.03916	9.3
129.01836	0.5
135.08081	0.5
138.51079	0.3
145.04958	4.0
147.11687	3.2
159.02863	1.4
159.08041	0.3
163.07521	1.3
175.11208	2.4
177.12743	47.4
178.13087	1.2
187.07626	0.3
187.91811	0.3
189.03949	0.6
189.12769	0.9
195.13756	1.5
213.03870	0.4
219.13811	1.0
229.08748	0.4
231.05023	2.5
234.36050	0.3
243.13782	0.3
249.06047	1.1
249.14893	1.8
257.15466	0.3
267.15866	0.9
285.14679	0.9
303.15707	0.6
316.18954	0.3
333.09387	0.3
389.15826	0.6
414.27167	0.3
460.18259	0.5
460.26730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01870	1.0
55.05511	2.0
56.57329	0.8
57.03440	1.7
57.07099	1.1
61.02915	1.5
62.37824	0.8
62.86797	0.6
67.05505	0.7
68.05032	3.1
69.03428	29.6
69.27263	4.2
70.06593	1.4
72.08150	0.8
75.04514	0.6
77.15688	0.7
80.05053	0.8
81.03426	1.7
81.07053	1.4
81.84689	0.7
83.05003	1.0
83.08623	2.0
84.08150	0.9
85.02906	9.8
85.82558	0.7
86.03214	1.0
86.06095	1.0
87.04473	2.8
91.05476	1.3
93.07033	4.6
95.04970	1.3
97.02895	4.8
98.97605	0.8
99.04456	1.2
100.07618	3.0
100.26495	0.8
109.02911	1.0
111.08083	78.7
112.08431	1.4
121.06493	1.0
124.11232	12.0
127.03929	4.2
133.04970	1.3
139.07541	26.3
142.12277	4.2
145.04941	2.8
146.09653	4.2
147.10428	1.1
156.13911	1.3
157.08604	13.9
160.11198	1.3
174.12851	0.8
183.06952	0.9
183.31192	0.7
184.05977	1.1
188.10732	0.9
189.15187	2.7
206.11786	0.9
216.17477	5.1
234.18579	3.7
237.02786	1.0
244.16920	7.4
252.19511	5.7
262.18027	32.3
263.18484	2.0
268.71945	0.7
280.19086	19.0
281.19543	0.8
298.20129	74.8
299.20416	2.9
312.36923	0.8
338.19791	1.2
414.24780	1.1
426.45480	0.8
442.24359	12.6
460.25400	100.0
461.25717	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	460.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03615	0.9
53.03942	2.9
55.01864	3.2
55.05512	18.3
56.05850	1.3
57.03426	3.2
65.03943	1.4
67.05504	22.3
68.05851	2.0
69.03416	2.6
69.07068	21.6
69.65862	1.0
69.66200	3.3
70.07417	1.4
71.04986	1.6
79.05492	19.6
79.56748	0.8
80.05814	4.0
81.03419	40.6
81.07056	18.4
82.03756	9.2
82.07397	3.8
83.04993	2.7
83.08617	16.4
83.37261	0.9
84.05309	1.0
84.08955	2.9
85.02884	1.9
91.05471	18.1
92.05800	6.0
93.07043	21.5
94.07381	3.3
95.04960	12.6
95.08607	97.7
96.05301	3.7
96.08953	2.7
97.06537	2.3
97.10210	5.2
98.10526	1.7
105.07035	12.7
106.07373	4.3
107.04980	6.0
107.08595	40.7
108.05320	1.7
108.08926	1.9
109.06541	3.5
109.10157	17.5
111.04485	1.0
111.08067	3.6
112.08414	1.7
117.07029	3.2
118.07367	1.4
119.08588	9.0
120.08913	2.4
121.06487	3.7
121.10145	66.5
122.06791	1.2
122.10498	1.6
123.08081	2.6
123.11677	1.3
125.09661	3.0
126.10046	1.2
128.06210	1.4
129.06993	6.1
130.07344	1.8
131.04958	1.8
131.08551	6.2
132.08916	3.0
133.06480	2.8
133.07605	1.1
133.10146	4.1
134.06833	1.2
134.10463	1.4
135.11708	10.2
142.07750	1.5
143.08549	1.9
144.08891	1.2
145.06508	8.6
145.10088	2.5
146.06815	7.7
147.08070	4.2
147.11693	3.0
148.12019	1.3
149.13266	5.7
150.09911	1.0
155.08533	1.6
157.10121	2.9
158.06789	1.1
158.10464	4.0
159.08083	2.5
160.08345	1.5
161.09621	1.5
165.12669	1.0
168.09003	1.1
171.08066	1.7
172.08449	1.8
172.12048	1.4
175.11224	3.1
176.11653	1.6
177.16380	100.0
178.16742	4.2
184.49536	1.1
185.13200	1.2
186.09933	1.2
189.11082	1.3
193.12257	13.1
194.12595	10.0
196.12126	1.1
218.12494	1.1
228.14690	1.1
243.13725	1.2
249.14581	1.2
255.13814	1.6
256.14114	4.7
273.14957	4.2
274.15173	8.4
340.23434	2.2
350.21979	8.4
367.22675	3.8
368.22928	17.9
385.23718	1.4
386.24017	14.3
404.25116	2.8
406.24283	2.0
442.26874	3.7
460.27777	51.9
461.28394	3.7
477.65771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1081
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
55.05493	0.3
62.19838	0.2
65.38294	0.2
66.51012	0.2
67.74951	0.2
73.23996	0.2
74.09722	3.7
83.08630	0.3
97.02900	1.1
100.11240	1.3
105.03373	0.3
114.09151	0.4
123.05544	2.2
168.00572	0.5
168.05693	0.4
179.04926	0.5
182.15402	0.6
210.14969	0.4
224.04741	0.3
241.05029	0.5
242.05690	1.1
264.00305	0.3
269.04416	0.6
270.05222	64.1
271.05536	2.4
278.40997	0.3
284.03229	0.6
285.07562	100.0
286.07910	4.1
288.12604	0.3
317.06537	1.3
338.32175	0.2
461.10782	1.1
461.18051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
60.43745	0.7
63.39131	0.9
65.03945	1.3
69.68834	2.8
79.05501	1.8
81.07053	1.3
84.60296	0.8
91.05480	3.1
94.04173	4.1
98.23492	1.0
103.05461	3.5
105.07025	11.8
107.04957	2.2
109.06514	2.1
111.04452	1.4
115.05439	3.6
118.04100	1.0
119.08545	0.9
121.02870	24.0
121.03860	1.1
122.03658	10.4
128.06215	3.0
129.06920	0.8
131.04909	1.4
133.06500	7.7
137.05980	100.0
138.06311	2.1
141.06992	1.6
146.03636	4.6
149.05956	1.2
161.05983	46.7
162.06529	1.1
167.07112	1.0
168.05748	1.2
171.08067	2.1
177.05530	0.9
184.05205	3.2
187.07628	0.9
189.06920	0.9
191.08624	2.4
192.09245	1.5
199.07550	18.6
200.73857	0.7
202.07767	11.3
203.08545	18.7
204.09265	2.1
205.06494	2.1
213.06906	1.0
215.08592	1.3
218.07164	1.2
219.08023	6.5
220.08783	6.9
221.09642	1.2
230.07251	1.8
231.08035	27.0
231.10344	1.4
232.08821	7.1
233.05930	0.8
233.09572	0.9
235.11182	1.7
237.09201	1.2
245.09702	1.1
247.07512	5.7
248.08333	15.2
249.08983	2.3
258.06851	2.6
259.07547	23.5
260.08289	12.9
261.08990	2.2
262.09650	1.0
263.10693	12.9
264.10974	1.0
265.08569	1.1
273.09149	1.0
275.06995	2.3
276.07858	9.5
277.08606	4.7
291.10153	70.4
292.10736	6.4
293.08047	2.4
295.13403	2.4
297.11096	3.6
308.10455	1.7
311.12698	1.5
312.13522	1.4
323.12772	22.9
324.13226	1.4
340.12994	6.9
416.20532	1.7
429.13318	2.6
461.13577	0.8
461.19714	13.9
462.20541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1782
Annotation	Eruberin A
Peak:m/z	Relative Intensity
57.09017	1.1
74.09716	30.2
98.97610	3.8
106.98548	1.2
121.58305	1.1
134.81616	1.1
204.13889	1.7
219.01749	1.5
237.02870	1.3
264.72864	1.1
279.03452	1.3
288.97391	1.4
317.06671	2.9
347.13834	1.9
461.17801	100.0
462.18106	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51398	1.2
53.77330	1.1
56.96568	85.3
72.96021	2.8
84.08145	4.8
86.09711	9.5
124.00688	1.8
124.99075	1.7
126.02313	1.9
127.00698	6.3
129.10284	1.8
132.10208	2.4
135.24890	1.4
136.99112	13.9
140.03865	6.9
142.01854	3.4
142.05420	7.6
142.07176	2.4
143.00157	3.9
145.01717	3.4
155.00157	54.1
158.04901	10.3
160.06474	14.0
160.08377	1.5
161.01187	1.7
170.01190	1.7
170.04895	9.0
170.99611	2.3
172.08215	8.2
173.01230	58.5
176.05966	1.7
178.07559	2.4
188.02295	2.1
188.05954	15.1
189.00668	2.8
189.04300	2.9
190.09349	1.7
191.02277	24.4
206.07004	37.9
209.03342	9.1
217.00179	8.4
224.08057	45.8
234.11821	2.8
235.01241	21.4
240.09131	2.1
242.08800	4.0
258.10129	6.5
260.07272	1.5
260.09705	7.9
268.08542	22.7
276.11215	3.1
284.07968	2.0
286.09616	76.1
302.09103	7.1
303.17685	2.1
304.10718	13.0
312.07629	1.5
329.79962	1.4
330.08588	100.0
331.08798	2.6
348.09647	80.6
349.10013	1.8
366.10602	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.85643	0.7
56.71168	0.6
57.07071	0.8
59.39894	0.6
62.78806	0.6
67.05492	1.3
69.03422	1.3
69.07051	1.1
71.46965	0.7
74.09721	12.1
75.82607	0.6
79.05469	0.8
81.03415	0.9
81.07030	1.9
84.14401	0.6
85.02892	2.9
85.06538	0.8
87.00827	0.8
91.05494	1.1
93.07039	2.9
93.17403	0.7
95.08578	1.4
97.02905	0.9
97.06541	0.8
105.07021	0.8
107.08600	1.4
107.34286	0.7
109.02895	1.2
109.10108	1.2
121.10152	1.6
123.08083	1.1
127.03909	1.6
135.11740	0.6
139.07611	0.7
145.04958	0.8
145.10132	0.8
148.07462	0.9
149.05972	1.0
149.13277	0.7
149.69072	0.6
151.07510	2.2
165.09180	1.2
165.62051	0.7
167.07036	10.1
177.16356	0.8
180.54156	0.6
191.10655	1.0
204.13924	1.0
213.14607	11.3
229.79753	0.6
241.14130	7.6
295.44754	0.6
296.43890	0.7
307.77756	0.7
338.23892	0.7
357.18881	2.4
375.15259	1.4
375.19864	21.2
376.19974	0.7
388.21387	0.8
417.20947	63.5
418.21133	2.3
439.40186	0.8
461.19846	100.0
462.20285	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	461.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05757	2.3
69.03443	3.9
70.87830	4.6
96.84910	2.8
105.23116	2.4
121.02922	3.1
164.49429	2.8
175.09901	7.1
204.10295	3.4
213.31590	2.5
224.91423	2.6
245.45570	2.9
246.14865	2.7
274.14383	100.0
275.14706	3.7
302.13889	74.3
303.14270	3.9
412.17282	5.4
430.18607	95.3
431.18970	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	461.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35402	0.2
53.03733	0.2
53.03932	1.0
55.01869	1.7
55.05507	6.9
57.03443	1.4
57.07074	1.3
59.05007	0.3
61.02925	1.2
65.03931	0.3
66.81380	0.2
67.05501	3.5
68.99783	0.5
69.03425	7.9
69.07064	11.1
71.04990	3.0
71.08644	0.4
71.46843	0.2
73.02910	1.2
74.09711	4.5
77.03916	0.4
79.05490	4.3
81.03414	4.0
81.07054	11.9
83.01351	0.2
83.04987	0.3
83.08116	0.4
83.08615	7.0
85.02901	16.4
85.06545	2.2
87.00826	8.1
91.03942	0.4
91.05472	2.7
93.07040	10.9
95.04976	1.0
95.08602	27.3
96.08942	0.4
97.02885	6.0
97.06515	0.6
97.10163	5.7
99.04449	2.0
99.08090	11.9
105.01862	10.5
105.07025	2.8
107.08587	28.9
108.08820	0.2
109.02168	0.4
109.02873	4.9
109.03616	0.2
109.06521	0.5
109.10149	7.8
111.04430	0.2
111.08077	5.3
111.11698	0.4
113.09636	1.6
115.03924	0.6
115.05408	0.2
115.11179	0.3
117.01851	0.5
119.06071	0.2
119.08583	1.7
121.10139	48.6
122.10429	0.9
123.08052	0.6
123.11700	3.2
125.09624	5.2
125.13265	0.6
127.03907	11.3
129.01830	0.5
130.96803	0.2
131.08580	0.4
133.10136	1.0
135.08141	0.2
135.11688	11.1
137.09688	0.2
137.13240	5.5
139.11174	1.2
145.04947	4.8
145.10081	0.3
147.02881	0.4
147.07964	0.2
147.11647	0.4
149.13245	3.9
151.14790	0.4
153.12775	0.3
157.10086	0.4
159.02884	1.7
159.11690	0.5
161.13222	0.2
165.09001	0.2
169.10143	0.3
171.11673	0.3
173.13222	0.3
175.14896	0.9
177.16373	100.0
178.16710	4.0
187.14830	0.6
189.03941	0.3
189.16269	0.4
189.37509	0.2
195.17433	20.8
196.17722	0.5
201.16342	0.3
204.13937	0.5
213.03960	0.4
213.18475	20.9
214.18845	0.8
219.17473	0.3
227.14314	0.3
231.04973	2.9
243.17392	0.2
245.15425	0.2
249.05992	0.8
267.17480	0.3
285.18469	0.5
303.19427	0.3
322.58755	0.2
388.20996	0.6
389.19537	0.5
407.20502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05504	5.4
57.07073	2.1
67.05507	3.5
69.03433	7.7
69.07069	12.4
69.24700	2.2
69.25103	3.9
71.04993	2.1
74.09734	2.4
79.05508	3.6
81.03426	2.6
81.07056	11.7
83.08615	7.9
85.02901	10.2
85.06530	3.1
87.00825	6.7
91.05486	2.6
92.88022	1.1
93.07040	11.7
95.08607	26.2
97.02882	5.2
97.10181	4.4
99.04469	1.9
99.08090	13.9
103.40933	0.9
105.01862	7.0
105.07021	3.0
105.48830	0.9
107.08591	32.2
108.46346	0.9
109.02908	2.5
109.10136	6.1
111.08083	6.3
113.09593	1.0
121.09265	2.3
121.10148	47.8
123.11720	1.5
125.09609	6.0
127.03906	7.3
130.02139	0.9
135.11714	9.4
137.13246	4.5
139.11191	1.1
145.04987	3.8
149.13309	2.6
159.02943	1.7
177.16380	100.0
178.16734	2.1
195.17435	20.5
213.18501	21.7
231.05000	1.9
305.64966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70292	0.7
55.01870	0.6
55.05506	1.3
57.03450	0.6
66.72378	0.6
67.05502	4.6
69.03428	0.7
69.07066	1.0
69.16797	2.6
69.17206	1.0
70.62037	0.6
71.05016	0.7
78.66193	0.5
79.05488	4.0
81.03406	2.0
81.07047	4.7
81.20485	0.6
83.08613	1.3
91.05496	3.2
93.07040	2.7
95.04959	1.7
95.08598	2.7
96.32321	0.6
97.10197	0.7
99.04443	1.1
105.07035	2.1
107.08601	2.1
109.10159	1.1
117.07002	1.4
119.08601	1.2
121.02869	1.7
121.06528	1.1
121.10142	0.9
125.06038	0.7
128.06131	0.6
129.07004	0.9
131.08595	1.9
134.09665	1.6
136.11203	1.4
145.06534	1.2
145.08983	0.6
145.10135	1.4
147.07983	0.6
147.11600	0.8
151.01323	0.6
157.10202	0.9
159.08102	0.6
159.11566	0.8
161.09698	0.6
162.12756	3.5
164.10722	0.6
172.11197	0.9
174.09175	0.9
174.12794	4.7
175.13538	1.4
176.10637	0.7
184.74730	0.6
186.12814	1.1
188.14311	0.7
190.12285	3.6
200.10739	1.6
202.12289	0.7
218.11856	0.7
240.13947	0.7
249.14696	0.6
256.13364	1.1
258.14908	1.3
264.26813	0.7
270.14951	0.9
272.16382	1.4
273.17313	2.3
280.26465	0.7
281.26605	1.7
288.15936	5.6
289.16794	6.0
302.13800	0.7
310.14291	0.7
340.19318	1.2
342.16931	4.3
369.24222	1.6
387.24881	0.7
388.21243	3.5
398.19547	8.0
416.20679	100.0
417.20956	5.7
443.27792	1.3
461.24280	1.0
461.28940	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31548	11.6
53.11338	17.6
55.05513	41.5
57.39496	14.0
59.68855	12.9
67.05495	92.4
69.07076	17.3
70.97526	13.7
71.45193	17.7
79.05503	80.2
81.07060	80.9
83.08641	30.8
91.05456	91.4
93.07036	70.4
95.04960	27.5
95.08613	51.9
97.06516	18.7
97.10181	15.0
102.97324	15.3
105.07041	61.1
107.04935	21.7
107.08630	33.3
109.10098	28.0
117.07038	82.1
119.08581	47.0
121.06530	26.5
121.10131	19.1
129.07028	79.7
131.08562	88.5
133.06543	14.3
133.10175	35.5
141.06990	39.4
143.08582	64.6
145.10120	42.4
147.08020	15.9
155.08549	64.7
155.42429	13.7
157.10101	37.4
159.11768	22.5
167.08572	32.6
169.10034	26.2
171.11658	17.8
177.79851	16.4
179.08450	13.7
181.10118	15.2
183.11671	19.7
195.11711	28.6
201.12862	18.2
276.25354	15.2
333.22061	20.4
351.23209	79.2
369.24191	58.0
387.25226	22.5
443.27850	100.0
461.28738	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43207	1.0
53.03952	3.7
55.01878	3.6
55.61643	0.9
57.03440	7.8
61.02928	10.1
63.09631	1.0
69.03432	28.1
71.04991	3.0
72.47577	0.9
73.02918	10.0
75.89272	1.2
81.03420	19.9
81.03893	1.2
85.02906	100.0
86.03224	1.5
87.04475	19.1
91.03952	7.5
97.02897	33.6
99.04453	6.7
108.04459	1.2
109.02878	14.8
111.80038	1.0
112.94501	1.4
115.03931	60.7
127.03912	45.4
128.26657	1.1
133.04965	20.3
133.06505	1.4
145.04964	71.4
146.05299	1.3
150.09134	2.1
151.03908	2.9
163.06013	7.6
163.40358	1.0
165.45125	1.1
168.10258	1.2
186.11221	1.1
186.37447	1.0
241.06950	1.7
259.08102	15.9
277.09155	7.9
422.63287	1.1
435.38620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01873	4.2
57.03445	6.9
59.05020	1.2
61.02938	12.3
69.03432	28.4
69.07092	1.4
71.05003	3.5
73.02919	8.8
73.04762	1.5
81.03421	19.4
85.02909	100.0
87.04475	16.9
91.03973	7.8
91.05835	1.4
91.63465	1.3
93.07072	1.6
95.04977	1.7
97.02904	29.1
99.04476	5.5
103.03922	1.3
107.08608	1.6
109.02876	13.4
115.03937	64.5
116.04286	1.5
127.03922	39.4
133.04974	25.3
133.10126	1.9
133.79607	1.2
135.11656	1.9
137.02357	4.2
145.04970	74.2
150.09171	1.6
163.06017	7.4
169.05006	4.7
179.10660	2.4
182.11792	2.5
187.05934	1.4
190.15823	1.6
194.36882	1.5
197.11749	10.5
208.92635	1.4
216.18407	1.3
259.08081	13.7
277.09216	7.0
359.02145	1.5
418.20288	3.9
462.20563	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	462.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15539	0.7
53.03943	3.1
55.01880	3.5
57.03441	6.8
57.46582	0.7
58.24122	0.7
58.27492	0.7
59.05011	0.9
61.02931	8.8
69.03431	29.0
70.06596	1.5
71.04996	4.8
71.46457	0.8
73.02919	8.3
73.04789	0.7
79.05491	1.0
79.64670	0.8
80.05019	2.1
81.03423	20.5
85.02909	100.0
86.03238	1.1
87.04472	24.2
87.05013	1.3
91.03960	8.2
91.05836	1.1
95.04987	2.2
95.08632	0.8
97.02257	1.7
97.02895	32.2
99.04470	7.3
101.02361	1.0
103.03954	2.3
105.07066	1.0
107.48151	0.9
108.04507	1.2
109.02882	12.5
115.03936	89.9
116.04340	0.8
119.08569	0.7
120.08100	0.9
123.04453	3.4
127.03923	48.0
133.04974	40.2
134.05336	0.8
138.09154	1.9
140.10670	1.0
141.46301	0.7
145.04965	67.8
146.05257	1.0
149.13435	0.6
150.09108	1.1
155.07048	0.7
157.04968	1.2
163.06029	12.8
167.05484	0.8
168.10240	1.5
172.51871	0.8
175.06058	0.9
184.09669	2.6
186.11263	2.7
187.06061	1.1
192.16937	0.7
202.10750	0.9
241.07086	2.5
259.08197	14.2
260.08405	0.8
277.09207	23.4
333.53903	0.8
359.02933	1.6
381.74640	0.8
386.97736	0.8
410.62650	0.8
426.24966	1.2
444.25949	1.5
462.20816	5.3
462.26984	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	462.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.05519	1.0
63.16890	0.5
65.03933	0.8
67.01871	0.7
67.05506	4.5
68.05020	1.5
69.03428	6.3
69.05817	0.9
70.06592	6.6
71.04996	5.5
73.04729	0.7
74.17955	0.7
79.05495	2.4
80.04996	1.6
81.03433	0.6
81.07049	2.2
82.06591	1.1
83.01351	3.1
83.05006	1.3
84.08150	0.6
91.05439	3.8
93.07035	3.9
94.06579	1.7
95.04986	3.0
95.08622	5.7
96.04479	1.2
96.08154	1.1
97.02866	0.5
97.06525	1.7
98.06041	0.8
99.04459	9.6
100.11269	1.8
101.86856	0.6
103.03909	0.7
103.05476	0.7
105.07034	1.8
106.06528	1.0
107.04956	0.9
107.08580	0.8
108.08110	1.8
109.02934	1.1
109.06534	1.2
110.06052	1.0
110.09672	0.6
112.07605	1.4
114.50056	0.5
115.05453	0.6
117.07032	0.8
118.06554	1.1
119.08575	1.4
120.08129	1.8
121.06500	2.7
122.06049	1.9
122.09684	0.6
123.04430	1.6
123.08080	1.9
124.07593	4.3
125.05999	1.2
126.09059	0.6
127.03938	3.2
128.06258	0.7
129.07007	0.7
132.08122	0.8
133.10155	0.6
134.09702	1.2
136.07562	4.2
137.06009	0.9
138.09129	1.2
139.07581	0.9
141.06966	0.9
143.08565	1.9
145.06421	0.9
146.06013	4.0
146.09630	1.2
147.08069	1.0
148.11256	1.8
149.09702	0.8
150.05522	4.8
150.09113	1.6
151.03889	1.0
151.07561	2.5
152.07079	1.7
154.08652	1.8
155.03395	25.2
155.07008	1.6
159.08081	1.3
160.07619	1.4
161.08351	0.9
161.09593	1.2
162.09129	2.0
163.07491	0.8
164.07062	1.3
164.10704	4.3
165.05519	1.4
165.09131	0.7
166.08749	0.8
167.06969	1.3
168.06573	3.2
169.10194	1.1
170.09561	0.6
171.08029	1.3
173.09665	0.9
174.09174	2.1
176.10667	4.6
178.08658	0.9
179.07013	1.4
183.06548	2.7
183.07965	0.7
186.09128	1.0
187.11180	1.0
188.10693	1.8
189.09058	0.9
190.08638	0.7
190.12323	1.1
192.10133	3.3
193.08717	1.1
194.11755	6.6
195.06570	1.0
197.09679	1.3
199.07558	1.1
200.10684	1.1
201.09108	1.5
202.08670	1.0
202.12265	0.7
203.07222	0.7
203.10759	0.9
205.08569	0.9
206.08157	4.6
207.06525	2.0
215.10674	4.1
216.10243	1.2
217.08533	1.1
220.09689	16.8
220.13095	0.7
221.08144	0.7
221.11850	0.9
227.07233	0.9
231.10054	2.7
232.09891	0.6
232.13322	1.7
234.11255	1.9
235.06000	0.7
236.12825	0.7
238.10733	10.5
244.13408	1.0
247.06006	0.6
247.09677	1.4
249.11330	1.3
259.09683	2.0
260.12860	7.2
262.10849	1.7
262.14398	4.9
270.11285	0.8
272.12735	1.0
274.14407	0.9
277.10760	2.6
280.11685	0.8
288.12454	3.7
290.13898	5.6
306.13559	1.3
306.17007	2.7
308.15063	0.7
316.11768	1.5
334.16544	1.2
370.16550	0.8
372.17731	1.0
384.14203	1.5
388.17798	1.4
398.15961	3.1
399.15823	0.7
400.17526	2.4
402.15485	1.4
416.16965	5.7
418.18286	2.8
426.15521	4.5
429.09189	0.7
444.10727	1.2
444.16510	17.6
445.16754	1.9
461.35571	0.8
462.17557	100.0
462.28217	5.5
463.17728	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	462.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11480	2.5
53.22416	2.6
57.51387	2.5
65.65987	2.8
68.00201	3.2
69.03434	6.9
69.84502	9.1
70.06589	6.1
71.04989	12.9
71.08179	2.9
73.04762	4.5
80.04999	3.2
81.07059	3.3
83.01340	3.4
84.88824	2.8
93.07008	4.6
95.04934	3.1
98.22819	4.6
99.04453	21.7
106.06530	4.7
109.06541	6.5
119.08554	4.4
120.08112	27.9
127.03976	3.4
130.06473	4.4
132.08104	3.2
134.06020	4.2
145.08891	3.6
146.09692	17.6
148.07590	37.2
149.08395	5.4
150.09151	6.9
153.14624	2.8
155.03377	7.0
158.09657	5.4
160.07576	4.8
160.11217	5.0
162.09119	8.4
163.09972	4.0
164.07042	4.7
167.05484	3.3
167.06970	6.1
172.11266	4.1
173.11986	3.6
174.09143	24.3
174.12796	5.0
175.09952	9.3
176.07011	3.6
176.10750	5.3
183.06529	6.1
184.11211	9.0
186.09088	3.4
186.12657	4.0
188.10733	4.6
192.10181	12.7
194.08083	4.6
200.10709	5.6
202.12309	16.8
204.10182	10.0
218.11722	31.9
224.49612	2.7
230.11781	3.9
246.11304	23.5
247.09644	6.3
247.12010	15.1
248.12761	12.0
249.11209	6.1
260.12842	2.9
274.14359	3.8
274.34494	2.5
302.13831	10.7
306.16968	25.2
314.13843	7.4
332.14908	19.3
334.16504	21.3
342.21133	3.3
359.03094	3.0
384.18143	7.2
386.19891	16.7
394.15942	4.2
412.17609	11.3
430.18637	100.0
431.18961	3.9
462.21741	40.4
462.27872	6.2
465.71719	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	462.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93306	0.5
53.12089	0.4
55.01875	1.0
55.05494	0.7
59.05000	1.0
67.05500	1.7
68.05014	1.0
69.03427	2.1
69.07066	0.9
70.06589	1.3
71.05002	1.9
79.05492	1.8
80.05019	4.4
81.03427	0.7
81.05804	0.6
81.07048	1.7
82.06585	2.8
83.01328	1.1
83.04985	0.8
84.08163	1.0
85.06544	0.7
91.05473	1.6
93.07040	1.8
94.06575	2.0
95.04964	0.8
96.08136	1.9
97.06551	1.2
97.08936	1.2
98.06050	1.3
98.09733	0.9
99.04447	1.5
100.07620	0.9
101.06026	0.6
105.07046	1.9
107.08588	1.2
108.08125	1.7
109.06531	1.0
109.10152	0.8
110.06018	1.1
110.09652	0.8
112.07613	1.0
117.07062	1.6
118.06569	0.6
119.08568	1.3
120.08104	1.9
121.02879	2.0
121.06507	1.2
122.03211	0.8
122.09662	2.2
123.08119	0.8
124.07569	1.6
124.27863	0.5
125.05955	0.8
126.09174	1.4
127.03911	1.6
128.07118	1.0
129.07019	0.8
130.08669	0.6
131.08566	1.0
132.08127	1.1
133.06566	0.5
135.04448	0.6
135.08073	0.7
136.07486	0.5
137.69670	0.5
140.07005	0.6
141.06967	0.5
141.85506	0.5
142.08665	1.4
143.08566	0.8
145.06552	0.7
145.10115	1.2
146.07243	0.7
146.09705	0.9
147.08066	1.7
148.07582	1.9
149.09628	0.5
150.09131	7.5
151.07576	1.1
153.05504	1.8
154.08702	0.7
155.03430	0.6
156.10223	0.8
158.09749	0.8
159.08029	0.9
162.09113	0.9
163.11217	0.8
165.05563	0.8
165.09134	1.0
165.13162	0.6
166.08569	0.7
167.07094	0.7
168.10246	2.3
170.09677	1.0
173.05978	0.7
173.09708	0.6
174.09154	0.9
175.07576	1.7
177.05481	3.3
177.09065	0.8
179.10699	0.6
180.10263	0.7
185.06006	0.7
187.07520	0.9
188.10661	0.8
189.09131	1.2
191.07104	1.0
191.10646	0.8
193.08624	0.7
194.11780	1.1
196.09647	2.5
198.09175	1.0
203.07053	1.0
203.10780	0.6
204.10226	1.0
205.08719	0.6
207.10181	1.5
208.09482	0.8
212.10649	1.0
217.08675	1.8
218.11684	3.2
219.10208	1.5
220.13336	0.9
221.08090	1.3
226.08772	1.0
229.08722	0.7
230.11885	0.7
232.09633	5.1
232.13225	0.7
233.07912	0.5
233.10611	0.7
234.11212	1.6
235.09683	1.2
236.12743	2.7
240.10240	2.3
241.08313	0.6
243.08604	0.7
244.13394	0.9
246.11456	0.6
248.12747	2.8
249.13499	0.7
256.13293	0.8
258.11279	13.6
258.14468	0.9
258.15042	1.2
260.12775	0.6
262.14432	0.7
272.12830	1.3
274.14456	0.7
276.12299	14.0
277.12589	0.7
280.13165	0.6
284.12820	0.9
286.14465	1.0
300.12512	0.6
302.13852	0.6
304.15540	1.4
310.14462	1.1
314.13840	2.3
318.13525	1.7
324.12741	1.2
326.17694	0.6
328.15414	1.1
332.14951	2.3
338.13895	0.5
342.13336	4.5
346.16541	0.9
356.14807	4.4
356.18640	0.8
357.15732	9.1
358.16348	2.3
370.16647	0.8
375.16794	14.0
376.17117	0.7
384.17935	4.0
386.19476	0.8
402.19287	5.7
412.17612	1.8
416.16953	1.6
418.18533	0.8
430.18668	4.5
444.20221	16.6
462.21249	100.0
463.21594	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	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75872	1.0
54.72658	0.9
57.03447	1.3
61.02929	2.1
67.05513	2.8
69.03436	10.1
70.48199	2.4
71.04998	3.0
73.02878	1.2
73.04766	3.7
79.78997	1.0
81.03413	1.5
81.07061	4.2
83.04980	2.2
85.02904	19.1
87.04469	2.0
90.35293	1.2
91.05418	1.6
93.07057	4.2
95.04972	6.5
95.08599	2.2
97.02903	6.2
97.06516	1.3
99.04459	2.3
105.07032	7.0
106.08257	1.0
107.08636	2.7
109.02888	3.9
109.06534	4.6
111.04447	4.2
113.06020	2.4
115.03931	10.7
119.08595	9.6
121.02850	2.4
121.06532	4.5
121.10130	1.5
123.08069	5.6
127.03922	8.4
129.06973	1.3
131.08586	5.6
133.04993	4.4
133.10139	2.6
135.08063	10.2
137.09668	1.6
139.07547	1.4
143.08571	2.4
145.04980	9.5
145.06030	1.3
145.10153	4.5
147.08061	6.0
147.11702	1.9
149.09572	1.3
155.08568	1.2
156.09386	2.3
157.10179	2.6
158.07341	1.5
159.08081	4.9
159.11745	5.0
159.19843	1.1
161.09651	6.1
163.06041	1.6
165.09087	2.4
171.08009	1.1
171.11725	2.8
172.08842	4.0
173.09630	2.6
173.13329	2.7
175.07533	9.9
175.11208	4.1
175.79541	1.2
183.11713	2.5
185.09613	1.3
187.11145	5.6
189.09233	2.0
189.12781	1.8
193.08592	1.8
196.08958	1.4
199.11212	4.3
201.12854	5.2
203.10657	6.1
205.12218	1.7
211.11194	3.9
217.12341	5.9
219.13701	1.8
229.12311	5.5
235.13281	1.4
247.13303	28.7
259.08267	2.0
265.14359	100.0
266.14600	5.2
277.09314	2.1
359.02872	3.3
462.18082	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	462.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23435	0.3
53.03946	1.2
55.01862	1.3
55.05511	2.0
56.05042	1.9
57.03432	1.1
59.04996	0.8
61.02916	2.4
67.05502	2.4
68.05026	1.1
69.03436	8.4
69.07063	1.3
70.06589	1.2
70.60400	0.3
71.04993	5.5
73.02920	1.8
73.04778	0.6
77.44473	0.3
79.05508	1.5
80.05019	18.4
81.03423	4.1
81.05394	0.4
81.07059	1.9
82.06583	1.0
83.04986	0.7
84.08144	0.5
85.02906	20.9
85.06557	0.9
86.09725	0.5
87.04462	6.0
91.03950	1.2
91.05470	1.1
93.07052	2.5
94.06551	1.2
95.04971	12.6
95.08612	2.9
96.08139	2.6
97.02893	6.8
97.06544	1.0
98.06071	1.8
99.03881	0.7
99.04461	5.9
101.06017	1.6
103.03942	0.9
105.07039	2.0
107.08597	1.0
109.02857	2.8
109.06534	0.8
109.10186	0.5
113.06010	3.7
114.05494	0.4
115.03934	18.1
116.04208	0.4
116.07112	0.6
117.05523	1.6
117.07037	0.4
119.08578	1.5
120.08125	3.5
121.06532	1.2
121.10120	0.7
122.09659	0.6
123.04435	3.0
123.08064	1.1
127.03925	10.5
127.07555	0.8
129.05476	0.5
131.08611	0.6
133.04974	8.9
133.06508	0.5
133.10190	0.7
138.09145	13.5
139.07564	1.2
140.07079	0.7
140.10713	1.5
141.05437	2.7
141.21449	0.4
143.08594	0.5
145.04961	16.8
145.10156	0.8
147.07988	0.5
147.11734	0.6
148.07574	2.6
150.09155	0.8
151.03891	0.4
152.10754	0.9
155.07057	0.5
156.10199	6.7
159.11710	0.8
161.09700	0.5
163.06052	2.2
164.10751	0.7
166.08640	4.0
167.05603	0.6
168.06570	2.1
168.10172	0.7
171.11696	0.4
175.11044	0.5
182.08138	0.4
182.11638	0.4
184.09697	14.3
186.07661	0.5
186.11249	2.4
189.12804	0.4
198.11316	0.4
202.10736	6.6
210.07712	0.4
241.07130	0.9
259.08188	3.5
265.57697	0.3
277.09171	3.9
292.19168	0.6
310.20142	0.4
322.20166	0.6
336.21680	0.8
340.21277	1.2
358.22308	0.6
359.02780	0.9
362.23047	1.8
363.68091	0.4
374.21536	0.4
380.24304	5.9
398.25363	4.0
408.23770	2.4
416.26642	2.0
426.24820	8.9
444.25922	19.2
445.26031	0.5
462.26987	100.0
463.27313	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	463.1236
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
51.00342	0.4
55.05496	1.1
57.03180	0.6
57.03437	7.7
58.06600	1.0
59.00479	0.3
69.03454	0.5
69.73447	1.4
70.06569	0.5
71.04987	1.3
73.02921	3.0
74.09720	3.7
75.04480	29.0
75.09231	0.8
75.10043	0.7
76.07641	1.8
79.84760	0.4
83.04997	0.5
83.08598	0.3
85.02910	4.4
86.09711	1.2
92.02623	0.7
93.03407	0.9
94.93141	0.4
100.11257	1.4
105.07055	0.5
107.08567	0.4
109.00345	0.5
111.04444	0.6
115.03893	0.6
120.08071	0.4
121.02888	0.9
127.03867	0.4
129.05458	0.7
139.03899	0.8
151.03905	0.7
153.01819	6.5
165.01837	0.5
182.15421	0.7
200.04744	0.4
201.05481	0.6
203.03268	0.4
210.14905	0.8
217.04977	0.8
218.05675	0.7
219.03026	0.5
228.04123	1.3
229.04994	3.5
231.02972	0.5
245.04572	0.9
246.05200	1.6
257.04349	2.5
273.03882	1.8
274.04718	3.5
284.03058	0.4
285.03937	4.3
302.04193	11.1
317.06549	100.0
318.06854	3.4
447.89597	0.4
464.33282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1573
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
51.13856	0.7
69.32397	2.9
69.32760	1.1
69.92154	0.6
81.07029	0.7
91.05473	2.7
98.23409	1.3
105.07016	0.9
117.07069	1.1
119.04955	2.5
121.06477	0.6
129.07018	1.0
133.06490	8.4
137.06017	0.9
142.07800	1.3
146.09937	0.6
153.80414	0.5
157.10114	6.3
158.35074	0.6
175.11197	14.5
184.13394	0.5
185.04205	0.7
197.09441	2.1
203.05264	1.0
227.05309	1.4
245.06345	5.6
271.04282	2.3
287.03918	0.9
289.05328	16.7
377.15796	3.6
419.16739	25.7
420.16940	1.6
463.15759	100.0
464.16205	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	463.1575
Annotation	Exoticin
Peak:m/z	Relative Intensity
69.03445	0.3
79.05482	0.5
81.07066	0.5
90.20931	0.2
91.05463	1.8
91.49841	0.2
95.08572	0.3
100.11254	0.3
103.05437	0.3
105.07050	0.9
115.05450	0.4
117.07001	0.8
119.04942	1.5
119.08578	0.4
121.06512	0.9
127.00037	1.8
129.06999	0.6
133.06493	5.2
135.11673	0.3
137.05986	1.9
142.07770	0.6
145.06508	0.3
147.11685	0.3
151.07495	0.2
157.10118	4.1
167.03166	0.5
167.07111	0.5
175.07556	0.8
175.11185	11.7
176.11571	0.4
185.04260	1.9
187.07603	0.2
197.09370	6.4
198.09651	0.3
203.05353	0.3
203.17377	0.2
205.08656	0.3
215.10559	0.3
217.08630	0.5
227.05328	0.3
229.03349	0.3
245.06340	0.6
247.09549	0.4
257.10345	0.9
271.04144	1.0
289.05344	4.6
359.14551	1.7
377.15604	1.0
419.16742	11.5
420.17258	0.7
446.18237	0.3
463.15714	100.0
464.16000	5.6
464.22488	0.4
485.04007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03094	1.2
57.70493	1.3
67.05504	1.7
69.03426	2.8
69.26461	2.7
69.26875	6.3
70.06583	2.2
70.36083	1.5
71.04997	4.7
76.79835	1.2
79.05485	2.6
81.07066	2.4
84.91698	1.3
85.02859	2.3
91.05440	2.9
93.07009	1.5
95.05003	1.6
99.04463	2.6
105.07032	9.0
120.08092	1.7
121.06500	1.8
127.03930	1.9
135.08032	2.0
137.06006	3.1
141.07066	1.8
148.07578	3.7
150.09163	3.3
151.07585	2.7
152.69722	1.4
153.05519	1.5
155.03452	1.5
158.09615	2.9
163.07555	1.5
167.07048	2.7
174.09128	3.0
175.09802	1.7
186.09125	3.7
198.09155	1.7
202.12303	2.4
214.08588	2.1
215.10710	6.0
218.11792	1.8
221.09990	1.6
228.10265	1.6
232.09792	1.6
232.13263	1.7
246.11211	6.6
272.12888	3.6
273.13669	2.3
274.10745	2.9
274.14337	4.4
277.22061	1.5
300.12256	4.1
351.25119	1.8
386.16113	2.2
400.17792	3.3
410.15909	3.2
428.17029	36.1
432.20169	5.4
445.16650	2.6
446.18130	100.0
447.18170	5.4
463.16925	7.8
463.28799	4.1
464.18777	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	463.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49163	2.2
71.04980	2.9
71.09177	3.7
100.11288	2.8
124.71805	2.7
134.09688	3.7
143.17488	2.6
160.11124	2.6
167.85599	3.3
171.84685	2.5
288.16049	4.9
305.16385	4.6
334.41806	2.9
340.15311	2.6
391.63312	3.1
414.19189	23.0
432.20193	100.0
433.20355	5.6
435.05350	2.8
463.16049	4.1
464.18893	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.0
57.03435	6.7
57.07064	3.2
67.05509	31.2
69.07061	7.9
70.14321	4.3
71.08271	2.8
71.08635	37.2
79.05499	23.7
81.03419	4.1
81.07063	35.2
83.04974	5.5
83.08612	5.6
90.74422	1.8
91.05487	17.5
93.07049	32.1
95.04951	6.9
95.08601	18.2
95.64097	2.1
97.06533	5.9
97.10205	2.4
97.39562	2.0
99.08085	19.4
105.07027	12.5
107.04960	2.7
107.08605	17.2
109.10152	7.5
111.08096	2.1
113.00015	23.3
117.07031	3.5
119.08543	11.5
121.06500	5.6
121.10138	12.1
129.07022	2.9
131.08598	2.6
133.10132	8.2
135.08029	3.5
135.11694	18.6
137.05936	2.0
139.11275	2.7
141.09038	2.6
143.08592	2.7
145.10124	4.2
147.11655	5.6
149.13246	7.7
151.11172	10.6
153.12875	1.8
161.13272	8.9
163.11159	3.9
167.07050	2.1
169.02576	6.2
175.66454	2.0
177.12747	2.3
179.14310	63.2
179.15916	3.8
181.12231	2.0
189.12904	2.4
215.71274	2.2
235.16750	2.3
241.19485	2.5
259.20584	2.3
277.21631	44.3
280.02023	1.9
351.25290	100.0
352.25604	5.6
381.31848	2.3
463.17706	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	463.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48710	0.9
54.86158	0.9
55.05510	12.9
57.03434	10.3
57.07069	3.5
67.05160	1.9
67.05504	29.8
69.07066	15.5
69.51049	0.8
70.64694	1.9
79.05482	7.7
81.07053	29.1
83.08628	8.5
91.05473	4.3
93.07046	8.6
95.04928	0.9
95.08601	22.3
97.06521	1.7
97.10165	4.7
98.98463	40.3
99.91985	1.1
105.07022	4.4
107.08609	5.0
109.10149	10.7
111.08077	1.1
113.01855	0.9
117.86189	0.9
119.08562	4.1
121.10147	4.0
123.11723	3.8
127.01558	12.5
133.02841	1.7
133.10130	2.6
135.11668	2.1
137.09566	1.2
137.13271	1.2
147.11707	1.8
149.13243	2.1
151.14899	1.3
155.01025	14.3
161.13263	2.2
163.14786	1.5
183.04172	29.6
189.09105	7.3
201.05276	4.6
234.76274	0.9
245.22652	3.1
263.23679	2.9
337.27359	100.0
338.27646	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3035
Annotation	Tupichigenin D
Peak:m/z	Relative Intensity
53.54103	1.2
55.05530	1.7
63.73095	1.1
67.05515	6.7
69.07068	2.9
69.72094	4.2
79.05504	3.0
81.07066	7.0
83.08623	2.0
83.36620	1.0
91.05486	1.6
93.07069	3.6
95.04962	1.2
95.08630	4.2
105.07020	1.5
107.08640	2.1
119.08630	1.3
131.08594	1.2
149.13318	1.9
182.81779	1.2
214.16301	1.1
335.25876	2.2
445.29276	67.9
446.29840	4.3
463.30511	100.0
464.30920	4.8
472.64761	1.2
474.53552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01882	1.8
56.05022	1.1
57.03426	3.5
61.02921	3.2
64.08833	0.9
67.05505	1.2
67.30532	1.1
69.03431	17.0
70.06610	1.3
71.04637	1.2
71.05000	15.7
73.02924	3.2
79.05479	0.9
80.05024	1.6
81.03423	14.4
81.07086	1.3
83.05006	1.2
85.02400	2.1
85.02908	32.5
86.03245	1.0
87.04468	5.0
89.06036	100.0
91.05498	0.9
93.07057	1.8
95.04958	2.9
97.02896	44.2
99.04468	7.8
103.03958	5.4
105.07054	1.4
107.04984	2.0
108.04472	3.2
109.02882	17.8
111.04454	2.8
115.03939	15.7
120.08040	1.1
121.02895	1.0
125.05967	1.8
127.03027	1.8
127.03918	25.8
133.04953	2.6
135.04410	1.2
135.05542	1.8
135.06529	18.2
137.05949	0.9
138.09134	1.6
139.03909	2.5
139.07500	1.1
145.04973	29.4
151.03914	5.9
157.05006	1.2
163.03914	1.6
163.06024	1.9
167.07085	4.3
171.06541	2.2
175.06020	1.3
177.05452	0.9
181.05064	1.3
188.03760	7.9
195.06516	2.1
197.08086	3.1
213.07657	2.9
215.09123	2.9
217.07138	2.9
218.11723	1.7
237.07635	1.9
243.08640	4.1
259.08063	2.1
261.07516	1.7
261.09763	12.9
264.12378	2.2
277.09229	1.0
279.08636	3.4
297.09311	1.1
446.18033	1.5
452.62100	1.0
463.27579	3.1
464.18890	28.7
464.27209	4.0
465.13672	3.9
465.19669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01882	1.8
56.05022	1.1
57.03426	3.5
61.02921	3.2
64.08833	0.9
67.05505	1.2
67.30532	1.1
69.03431	17.0
70.06610	1.3
71.04637	1.2
71.05000	15.7
73.02924	3.2
79.05479	0.9
80.05024	1.6
81.03423	14.4
81.07086	1.3
83.05006	1.2
85.02400	2.1
85.02908	32.5
86.03245	1.0
87.04468	5.0
89.06036	100.0
91.05498	0.9
93.07057	1.8
95.04958	2.9
97.02896	44.2
99.04468	7.8
103.03958	5.4
105.07054	1.4
107.04984	2.0
108.04472	3.2
109.02882	17.8
111.04454	2.8
115.03939	15.7
120.08040	1.1
121.02895	1.0
125.05967	1.8
127.03027	1.8
127.03918	25.8
133.04953	2.6
135.04410	1.2
135.05542	1.8
135.06529	18.2
137.05949	0.9
138.09134	1.6
139.03909	2.5
139.07500	1.1
145.04973	29.4
151.03914	5.9
157.05006	1.2
163.03914	1.6
163.06024	1.9
167.07085	4.3
171.06541	2.2
175.06020	1.3
177.05452	0.9
181.05064	1.3
188.03760	7.9
195.06516	2.1
197.08086	3.1
213.07657	2.9
215.09123	2.9
217.07138	2.9
218.11723	1.7
237.07635	1.9
243.08640	4.1
259.08063	2.1
261.07516	1.7
261.09763	12.9
264.12378	2.2
277.09229	1.0
279.08636	3.4
297.09311	1.1
446.18033	1.5
452.62100	1.0
463.27579	3.1
464.18890	28.7
464.27209	4.0
465.13672	3.9
465.19669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05512	2.8
57.03431	1.4
59.05002	1.1
67.05511	3.2
69.03432	17.9
71.04987	2.7
71.43941	1.1
73.02917	8.0
74.09689	1.2
76.07645	2.0
79.05493	3.0
80.05000	1.6
81.07054	2.1
82.06596	1.6
82.52807	0.9
83.01344	2.6
83.07358	1.4
84.08156	1.1
85.02897	9.3
86.09708	0.9
91.05464	6.1
93.07044	24.0
93.58064	0.9
95.04972	3.1
95.08627	1.3
97.02889	6.4
98.06055	1.4
100.11263	3.1
102.83405	1.1
105.04498	1.0
105.07024	3.9
106.06537	3.0
107.08597	41.1
108.08098	2.9
109.02903	1.0
109.06516	2.9
110.06054	1.9
115.03967	5.5
120.08105	2.8
121.06497	3.8
122.09634	1.6
125.06030	1.0
127.03920	4.3
129.06961	1.4
130.92972	1.1
133.05025	4.8
134.09573	1.2
135.06848	1.2
135.11697	19.9
136.07593	1.7
137.05974	1.9
138.09106	1.3
139.07527	1.5
141.27675	1.1
145.04953	4.4
149.06068	1.0
150.09166	4.1
152.14331	1.8
155.07103	1.1
160.11215	2.5
161.09560	1.0
164.10712	0.9
165.05473	2.2
165.09212	1.0
166.08566	2.0
167.07181	1.2
168.10245	1.3
175.07567	3.0
179.07043	1.1
181.08563	1.0
183.06577	1.5
184.09705	6.1
188.10786	1.3
193.04979	1.2
196.09727	6.2
207.10077	1.6
210.11203	1.6
210.14980	1.2
217.08598	2.4
218.11702	2.1
220.07405	1.1
222.11250	1.3
233.08067	1.3
235.09755	1.3
241.06958	1.1
244.72446	1.0
245.08105	5.3
246.11333	1.0
247.09595	2.3
249.11310	2.7
258.11337	3.0
259.08179	2.4
263.09134	17.1
295.10208	2.4
301.13074	7.0
316.15439	33.7
318.07010	1.2
320.69543	1.0
428.17062	3.9
432.20236	1.2
446.17792	17.5
455.33304	1.4
463.32556	100.0
464.22678	45.4
464.32852	83.0
465.23563	1.8
465.33124	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22138	0.7
67.05482	1.0
69.03428	8.1
69.31315	3.9
70.06590	1.8
80.05022	1.5
81.07039	1.4
83.01321	2.4
84.08121	0.8
87.04462	2.8
88.87218	0.7
91.05468	1.4
95.08642	1.1
96.08114	0.9
96.49525	0.7
99.04459	1.5
105.07009	1.3
107.85043	0.8
108.08045	0.9
109.06541	1.2
110.06068	0.9
112.07606	1.2
115.03927	1.0
117.05736	1.1
117.07016	1.3
120.08157	1.3
123.04423	1.3
123.08134	0.7
132.08060	1.1
133.06529	1.5
136.07616	1.1
137.06017	1.3
138.09158	1.1
145.06506	1.0
146.09593	1.2
150.09142	1.4
158.09642	1.2
160.11180	1.5
161.05992	0.8
167.07166	1.2
168.74080	0.8
172.11261	1.5
174.09093	0.9
175.09834	0.7
184.11269	1.3
186.09125	3.5
187.09880	1.3
188.10689	1.9
191.07135	0.9
193.08615	1.4
195.10399	0.9
196.09663	1.3
198.09207	1.5
198.12866	0.9
200.10596	1.0
204.10275	1.4
208.11205	2.1
210.12782	2.6
211.11404	0.8
212.10596	2.1
214.12315	1.0
216.10162	0.7
218.09840	0.8
223.09846	1.7
226.08649	1.1
226.12224	4.2
228.10155	0.9
230.11635	1.6
231.12529	2.0
236.10632	2.7
237.11392	1.0
238.12257	5.0
240.10208	1.4
242.08348	0.9
244.13142	0.9
252.10127	1.5
253.11040	1.8
254.11800	4.6
255.12541	2.1
256.13358	0.9
258.15121	1.0
268.13239	1.3
269.14108	1.3
270.11218	1.9
270.14874	4.3
271.12042	0.8
272.12851	1.0
281.10376	1.7
282.11139	2.8
284.12811	1.0
296.12851	6.0
312.12097	0.9
314.13840	15.3
332.14908	2.2
340.11731	3.1
366.16971	1.2
382.16531	3.8
384.17957	0.9
400.17538	15.8
410.15848	7.0
428.17038	18.6
446.18088	100.0
447.18445	4.6
464.18973	7.4
464.26089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1921
Annotation	Naamidine B
Peak:m/z	Relative Intensity
50.01220	0.6
57.03435	0.7
57.66563	0.5
60.84764	0.6
61.02913	1.8
67.05500	1.2
69.03429	3.6
71.04993	1.2
71.44796	0.6
73.00997	0.5
79.05508	1.6
81.03407	1.0
81.07050	0.9
82.75776	0.7
83.04987	0.9
83.34831	0.5
84.04497	1.7
85.02905	9.7
85.15411	0.5
87.04467	0.9
91.03910	1.0
91.05478	1.8
92.87714	0.5
93.07057	0.7
94.06565	0.8
95.04966	1.2
97.02905	3.0
97.06544	0.9
99.04470	1.4
105.07032	2.5
106.06561	1.7
108.05735	0.6
109.02889	1.2
111.04491	0.7
115.03938	1.7
119.04972	0.7
120.08091	1.0
121.02793	0.6
121.06467	0.9
122.05991	0.5
122.09683	0.5
123.08078	1.9
123.10486	0.6
125.05943	1.1
125.93364	0.6
127.03916	2.8
129.07024	0.7
132.08070	3.8
132.09955	0.6
133.08879	3.8
134.09653	1.6
135.06805	0.7
136.07567	1.1
137.02284	0.6
138.09109	0.7
143.07025	1.2
145.05002	4.0
145.06029	0.7
146.38031	0.5
147.07948	0.7
148.05197	1.2
148.07629	1.0
150.09135	2.0
151.07504	0.9
152.10709	0.9
153.16443	0.5
155.06984	1.0
163.06017	2.7
164.07024	1.0
165.05489	1.0
173.86496	0.6
174.09090	1.4
175.09956	2.2
176.10736	2.8
179.07011	2.6
181.08595	13.1
183.06566	1.8
191.26730	0.7
192.10123	0.9
204.10170	0.8
207.06488	3.4
221.08430	0.5
221.10437	2.4
222.11253	2.6
229.05055	0.7
231.10181	1.7
246.11218	0.7
247.09450	1.3
249.11279	2.1
256.13736	0.6
264.12265	2.6
267.12418	0.8
285.16931	1.2
290.13843	1.1
303.04993	19.0
314.13843	1.0
318.13300	1.1
332.14865	0.7
340.15598	0.9
351.19244	0.6
358.16580	1.3
360.14444	2.1
367.14224	1.1
370.12521	0.6
382.16489	4.3
400.17691	4.0
413.14828	1.1
418.18643	7.9
428.16898	4.5
439.85913	0.6
446.17346	3.3
464.19107	100.0
465.19290	4.5
484.49539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01873	2.5
55.05488	0.4
57.03437	5.3
59.04980	0.4
61.02633	0.6
61.02927	8.4
63.97082	0.3
69.03429	15.7
71.01345	0.4
71.04980	2.5
73.02916	3.9
79.05511	0.5
81.02966	0.5
81.03417	7.0
85.02904	100.0
86.03227	1.2
87.04475	2.2
91.03960	6.0
97.02892	24.9
99.04467	4.2
101.02422	0.7
103.03977	0.5
105.07031	6.1
107.04906	0.4
109.02888	8.3
109.03622	0.6
115.03926	1.3
116.03159	0.4
119.08551	0.8
127.03915	24.9
129.06944	0.7
140.20506	0.4
144.06523	0.5
145.04958	51.5
146.05257	0.7
147.08040	1.4
153.05383	0.7
163.06018	28.0
164.06416	0.7
189.09099	0.5
193.12186	0.7
201.09209	0.6
231.10175	1.1
249.11163	1.3
267.15771	0.6
285.13385	4.2
285.16531	0.8
289.09116	0.9
303.04816	0.7
325.11200	1.6
352.21698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01877	3.2
56.90538	0.8
57.03421	5.1
57.06689	0.9
61.02932	13.3
64.19017	0.9
67.05518	1.2
69.03436	19.1
69.32429	1.0
71.05000	3.1
71.46666	1.0
71.53663	0.9
73.02913	4.9
79.05504	1.4
81.03422	6.8
81.07032	0.9
83.04993	1.1
83.43337	0.9
85.02906	100.0
87.04440	1.9
91.03954	6.8
91.05495	4.2
93.07042	2.1
95.04962	2.0
97.02893	26.3
97.06536	2.7
99.04461	6.1
105.07037	8.5
107.04948	1.1
107.08632	1.5
109.02880	8.6
109.10152	1.4
111.04401	1.1
115.03938	3.1
117.07024	1.1
119.08607	1.5
120.05653	0.9
120.08116	1.8
120.18656	0.8
121.06567	1.3
125.05983	2.3
127.03918	28.8
132.08067	1.8
134.09592	1.0
136.05122	1.3
137.02335	1.4
137.06023	2.4
143.07039	2.6
145.04958	56.8
147.07988	1.5
148.05203	8.5
148.07628	1.1
153.01807	1.2
153.05498	1.9
157.05157	1.0
163.06027	33.4
163.07469	2.0
165.05606	1.1
176.10719	2.4
179.07050	1.5
180.89053	1.0
181.08594	92.0
182.09058	2.2
183.31026	0.9
191.72070	1.0
201.05504	1.1
201.09123	1.5
204.13858	1.0
207.06618	1.7
222.11194	2.4
229.02588	1.2
231.10130	1.2
247.09689	1.2
249.11217	2.5
267.12354	1.9
285.13345	3.2
285.16849	1.0
303.04980	18.3
325.11395	2.4
382.16483	1.2
418.18695	2.3
428.17041	4.3
446.17889	2.9
464.18500	33.6
465.19138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12695	0.6
53.03954	1.2
55.01866	1.1
55.05509	3.9
57.03427	0.9
57.07065	2.2
67.05494	1.3
69.03424	3.3
69.07078	1.4
71.04980	1.6
72.85694	0.5
73.02908	0.6
78.05820	0.5
79.05473	2.1
81.03404	2.4
81.07059	3.4
83.04963	2.3
85.02903	6.1
85.06519	2.0
87.00820	2.1
87.04479	1.1
91.05468	1.2
93.07049	5.2
95.08596	3.6
95.60547	0.6
97.02874	2.8
97.06525	1.8
98.23454	2.3
99.04460	1.0
105.01858	2.0
105.07042	1.9
107.08595	8.2
109.02872	3.8
109.06516	1.9
109.10136	0.6
111.03663	1.3
111.04433	23.9
111.08053	1.4
113.06055	0.9
114.05116	0.6
115.03915	3.1
117.01851	0.6
121.06497	1.4
123.11657	0.6
125.05986	8.7
126.06235	0.6
127.03915	5.8
133.04967	1.6
135.08055	3.4
135.11690	8.9
139.07526	1.1
145.04987	2.9
145.10144	6.1
146.36931	0.6
153.12730	7.1
161.09509	0.7
163.09908	1.0
163.11168	8.0
163.14851	0.9
181.12227	100.0
182.12535	3.2
199.13242	8.9
213.03902	0.9
226.12289	0.6
231.05037	1.8
234.49617	0.6
259.08130	0.9
332.14935	0.8
386.98148	0.8
437.08884	0.6
446.17731	2.5
464.18274	5.8
464.29480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01863	1.3
55.05515	4.7
57.03425	0.7
57.07083	2.8
67.05496	2.2
69.03433	3.6
69.07043	1.8
70.46846	0.6
71.04993	1.3
79.05479	1.8
81.03413	3.2
81.07063	3.0
83.04971	2.3
83.07378	0.6
84.21626	0.7
85.02896	5.3
85.06525	1.6
87.00819	2.6
91.05446	1.4
93.06540	0.6
93.07027	3.9
95.04954	1.4
95.08613	6.2
95.82204	0.5
97.02893	3.3
97.06528	1.7
99.04458	1.3
100.07633	0.9
103.49311	0.6
105.01839	1.9
105.07018	2.0
107.08607	6.0
109.02882	3.1
109.06502	1.4
109.10149	2.5
111.04443	26.9
111.08053	2.0
115.03934	0.8
117.07008	0.9
119.08611	1.3
121.06497	1.8
121.10142	1.3
123.08072	1.5
123.11621	0.8
125.05979	10.0
125.09652	1.0
127.03915	5.7
127.07557	0.8
129.05531	0.6
133.10147	1.1
134.48378	0.7
135.08055	4.6
135.11673	8.2
135.22894	0.6
137.13222	0.7
139.07541	1.2
145.04948	2.1
145.10088	5.3
147.08037	0.6
151.07501	0.7
153.05460	0.6
153.12732	1.8
163.11182	8.2
163.14828	1.5
181.06470	2.1
181.12228	100.0
181.15604	3.4
182.12567	2.7
187.44283	0.6
193.12337	0.9
199.13268	11.1
199.17078	0.7
220.13196	1.1
231.04929	1.7
247.78746	0.6
248.12796	4.4
266.13803	1.5
292.18979	0.7
302.13611	1.2
314.17810	0.8
366.22675	2.6
434.34787	0.8
446.17786	1.2
464.17877	1.7
464.22708	4.2
464.30017	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	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44946	0.9
52.70794	1.2
53.03943	2.9
53.38477	1.1
55.01873	1.6
55.05514	4.3
57.03434	4.1
59.05007	1.4
60.27916	1.3
61.02934	6.6
67.05486	3.7
69.03435	20.8
69.07065	5.1
70.06616	1.0
70.46638	1.8
71.04974	3.0
73.02911	4.9
77.03925	1.4
79.05496	9.9
81.03426	10.7
81.07057	11.9
83.04989	1.9
83.08636	1.4
85.02908	58.0
87.04466	14.0
91.03951	2.7
91.05484	21.0
93.07048	100.0
94.07348	2.0
95.04958	5.8
95.08614	9.1
97.02895	21.2
97.06532	3.4
99.04430	4.7
105.04517	3.2
105.07025	9.5
106.71224	1.2
107.04972	1.1
107.08599	80.7
108.08865	1.2
109.02885	8.3
109.06513	3.7
109.10156	5.3
115.03935	51.0
119.06078	1.9
119.08552	3.2
121.10164	1.8
123.11681	1.5
127.03919	29.0
133.04068	2.1
133.04979	21.3
135.11700	88.3
136.12076	2.6
136.20850	1.1
137.13232	2.0
145.04964	39.8
145.10185	2.1
147.11707	1.6
153.12740	5.5
157.05118	1.2
161.46002	1.1
163.06041	5.4
171.13805	5.9
171.45151	1.2
181.12239	1.9
181.15936	1.3
188.65163	1.3
199.13243	1.9
259.08063	10.5
277.09192	18.5
302.13651	1.3
303.04721	1.5
367.57434	1.3
393.18329	1.2
446.18359	1.9
464.19049	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01873	5.1
55.05515	2.1
57.03430	4.0
61.02925	6.2
61.33075	1.6
65.03938	1.5
65.97836	1.3
67.05507	4.4
69.03432	23.8
69.07069	3.0
71.02768	2.3
71.04991	3.3
73.02914	6.3
79.05482	9.0
81.03423	17.1
81.07072	6.7
83.05006	1.4
83.76555	1.4
85.02908	85.3
86.03219	1.6
87.04478	23.9
91.03954	5.7
91.05479	14.7
93.07050	43.5
95.04990	5.7
95.08608	13.9
97.02896	24.7
99.04467	7.1
103.03952	3.3
105.07031	7.2
107.08599	50.4
109.02873	10.5
109.06516	4.3
109.10179	2.9
115.03934	100.0
119.08604	2.3
127.03024	3.3
127.03922	37.8
128.06143	1.7
131.08568	2.3
133.04976	41.1
133.10123	2.3
135.11688	26.6
145.04961	55.8
146.05252	1.9
148.07640	1.8
149.05966	2.3
163.06041	12.8
166.08614	1.5
177.12671	1.8
181.12137	2.1
183.44611	1.4
185.09465	1.4
241.07048	1.7
243.13959	1.7
247.09711	5.4
259.08084	12.5
277.09167	29.1
313.68997	1.5
330.13318	2.5
428.17065	5.4
446.18130	14.5
464.19473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01877	2.8
55.05516	6.5
57.03440	3.7
58.03098	1.6
61.02923	4.7
67.05512	8.7
69.03426	3.7
69.07076	2.1
69.22737	9.5
71.04991	3.4
74.75701	1.6
79.05492	11.2
81.03421	100.0
81.07069	11.9
83.04992	3.7
83.08621	18.4
85.02910	6.4
91.03966	2.3
91.05460	12.2
93.07052	6.9
95.04967	33.0
95.08614	3.8
96.18592	1.5
97.02901	6.1
97.06554	2.1
98.23441	3.9
105.07054	11.8
107.04963	8.3
107.08623	6.0
109.06532	4.6
111.04448	3.1
111.08094	9.4
117.06980	1.9
119.04974	2.5
119.08611	10.1
121.10152	5.1
127.03870	2.7
129.07021	10.4
131.08592	8.3
133.06505	3.9
133.10143	5.4
145.10118	2.3
147.08049	3.0
147.11702	7.1
149.02357	7.0
149.03481	1.7
149.09651	5.1
156.03850	1.6
157.10136	11.0
163.11162	1.8
166.07771	4.7
172.11217	4.0
175.11191	10.7
181.10156	15.1
187.32224	1.8
190.47774	1.6
193.05040	7.0
193.12250	76.0
194.12498	2.5
211.13269	7.6
235.13303	2.1
237.07631	6.0
267.15906	57.8
285.16980	50.2
309.17001	12.3
363.18048	1.9
367.17834	1.7
375.18378	3.3
385.09024	2.2
429.11661	4.8
429.21231	2.4
464.19031	3.2
471.06488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01875	2.8
55.05512	9.0
57.03424	5.3
61.02921	4.8
67.05509	13.9
69.03424	5.1
69.07063	12.1
70.70449	4.1
70.85924	2.6
73.30359	2.4
79.05492	13.6
81.03422	100.0
81.07050	15.6
83.04977	4.7
83.08621	25.4
85.02902	8.1
91.05461	15.5
93.07034	7.1
95.04969	28.8
95.08617	6.9
97.02903	7.0
97.10181	3.7
105.07019	8.2
107.04934	6.3
107.08595	6.0
108.84599	2.5
109.02934	3.2
109.06487	5.3
109.10170	5.0
111.08080	12.0
111.11650	3.2
117.06973	3.1
119.04867	3.1
119.08575	9.7
121.06541	3.2
121.10149	5.0
123.04404	3.0
123.08080	3.8
129.06996	11.5
131.08569	9.4
133.06499	4.3
133.10112	6.2
135.11714	3.6
137.09677	3.4
140.79709	2.7
147.08075	5.5
147.11629	5.2
149.09621	6.6
157.10156	15.4
175.11145	13.0
181.10110	23.8
193.12238	84.9
194.12617	3.9
211.13235	7.8
235.13344	4.4
259.13275	2.9
267.15903	49.6
285.16940	61.6
301.14307	3.3
303.61267	2.8
309.16867	9.0
328.21994	3.1
333.89169	3.3
375.18158	3.2
418.42148	3.1
432.19025	3.6
464.21640	14.2
464.30139	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	464.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.1
56.59771	3.4
57.03442	9.0
57.07101	3.2
60.64116	3.1
67.05507	44.7
67.92005	3.1
68.68965	3.4
69.03455	3.7
69.07068	5.8
70.06592	4.3
71.44624	3.1
79.05490	26.2
81.07059	35.2
81.65572	3.6
83.08633	3.9
86.37363	3.8
91.05458	16.9
91.21418	3.3
93.07053	24.8
93.44762	3.3
95.04916	3.3
95.08610	24.0
99.08134	4.0
105.07039	11.3
107.08607	13.4
109.10200	9.0
113.00032	38.4
119.08632	5.1
121.06503	6.8
121.10171	12.5
122.09708	6.6
123.11751	4.0
125.06049	4.3
131.08578	4.7
133.10146	3.7
134.06155	3.7
135.08070	11.6
135.11720	8.4
138.09097	4.5
145.10164	4.0
149.13222	5.6
150.09145	52.5
150.10239	4.9
157.04970	16.1
162.09235	3.7
163.14848	4.2
166.08643	57.7
169.02640	8.3
176.10634	4.7
179.14220	3.8
191.07115	4.5
219.21169	3.7
236.12759	4.1
243.21034	8.3
250.14384	37.1
261.22253	20.6
264.12299	11.0
265.13110	5.3
266.14005	5.6
282.13348	8.4
320.29437	4.1
335.21826	5.7
335.25815	100.0
352.25735	9.8
464.19022	46.6
464.24329	5.2
464.30093	7.7
465.19550	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	465.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.5
68.79512	0.4
70.06586	0.6
79.16112	0.4
80.58167	0.4
84.08147	0.5
84.96024	3.9
85.02902	0.6
87.78632	0.5
94.99719	0.4
98.97584	100.0
102.97082	0.5
110.97565	1.9
111.26580	0.5
116.98624	37.9
125.99155	0.5
128.83582	0.5
128.98616	2.4
134.99664	8.7
140.00137	0.6
143.00133	0.6
146.01018	0.4
146.99638	1.2
158.99654	28.4
161.01141	0.6
169.01817	0.6
170.99626	2.4
171.65222	0.4
177.00708	24.6
187.02803	1.3
189.00732	7.8
195.01781	1.6
200.02119	0.5
207.01762	7.5
213.00647	2.5
213.04320	0.5
219.01756	3.9
225.02661	0.5
231.01764	31.8
237.02782	2.0
243.01787	1.5
249.02831	15.6
261.02905	2.3
273.02811	61.6
274.03156	1.4
279.03760	1.1
291.00659	1.0
291.03876	16.9
303.03946	0.8
309.04904	1.2
314.05450	1.2
323.10150	0.9
333.04895	7.2
345.04871	5.2
351.06039	5.1
351.12442	1.9
375.05905	0.6
405.06909	2.4
465.09827	4.2
465.15445	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.80653	0.1
53.03938	0.6
55.01875	0.7
55.05505	0.1
57.03442	0.9
59.05012	0.1
61.02930	1.7
62.39090	0.1
65.03944	0.3
67.01866	0.1
67.05496	0.4
67.43784	0.1
68.99791	0.8
69.03433	3.9
69.07051	0.3
70.03767	0.1
70.82764	0.2
71.04995	0.8
73.02927	0.6
79.05476	0.3
81.03416	2.0
81.07054	0.5
83.01350	0.2
83.04974	0.2
85.02911	12.2
85.06568	0.1
85.13619	0.1
86.03236	0.2
86.09718	0.2
87.04462	0.4
91.03957	0.7
91.05480	0.5
93.03407	0.4
93.07045	0.4
95.04977	0.6
95.08595	0.2
97.02896	4.1
97.06523	0.5
99.04461	0.9
105.07018	0.4
107.04960	0.1
107.08587	0.3
109.02876	1.7
109.06446	0.1
109.10158	0.2
111.00809	1.1
111.04462	0.2
111.08101	0.2
115.03926	0.4
117.07000	0.1
119.04994	0.1
119.08603	0.1
120.08055	0.1
121.02885	1.0
121.06507	0.1
121.10116	0.1
123.04427	0.4
125.05981	0.1
127.03921	2.4
128.06210	0.1
131.04933	0.2
133.04976	0.2
133.10051	0.2
134.09648	0.1
135.04431	0.3
135.08031	0.1
135.11670	0.2
137.02361	3.8
137.03384	0.3
137.05882	0.2
145.04962	2.4
145.06537	0.3
149.02356	0.4
153.01831	4.6
153.12720	0.3
155.04900	0.2
161.02345	0.1
161.05984	0.4
162.12776	0.1
163.03914	0.7
163.05989	0.2
165.01831	2.1
166.02608	0.4
171.13844	0.2
173.05997	0.3
179.03391	0.2
179.06993	0.1
181.04941	0.2
181.08606	1.2
182.08963	0.6
183.02878	0.9
183.04459	0.4
187.03931	0.2
191.03482	0.2
195.02908	0.2
201.05469	2.3
205.04935	0.3
207.06519	0.2
215.03386	0.1
219.06548	0.4
228.04243	0.2
229.04956	5.1
229.14375	0.2
230.05312	0.2
239.03574	0.1
247.05980	0.7
257.04465	2.6
258.04819	0.1
267.19382	0.1
274.04788	0.7
275.05328	0.3
285.03937	1.5
303.04990	100.0
304.05325	3.3
315.04974	0.3
327.04999	0.1
345.06036	0.5
419.18924	0.3
447.18442	0.3
464.18738	1.1
465.19174	3.0
466.24973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	0.6
54.26882	0.3
55.01857	0.7
57.03436	0.7
61.02922	2.0
68.99796	0.7
69.03432	3.3
69.10659	1.8
70.06576	0.5
71.04994	0.5
73.02910	0.6
81.03426	1.9
85.02902	8.8
86.09702	0.9
87.04467	0.5
91.03936	0.8
93.10600	0.3
97.02888	2.8
99.04406	0.6
103.24012	0.3
109.02877	1.1
111.00809	1.2
120.08122	0.4
120.59714	0.4
121.02852	1.1
127.03922	2.2
137.02319	2.5
145.04939	1.9
153.01825	4.4
155.04907	0.3
159.04292	0.3
161.05981	0.4
162.05460	0.4
163.03899	0.9
165.01819	2.1
166.02582	0.4
183.02901	0.7
190.05034	1.0
201.05493	1.9
228.04318	0.5
229.04979	5.1
247.06018	0.6
257.04446	2.8
274.04706	0.7
285.04041	1.2
303.04968	100.0
304.05331	3.5
308.18588	0.4
403.44077	0.4
448.23425	0.7
464.21954	0.4
465.22809	0.5
466.24557	2.6
481.15466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	9.4
61.41341	0.5
62.21272	0.5
77.00421	0.4
79.20336	0.5
84.96045	1.1
90.93062	0.4
91.05792	0.7
98.97584	100.0
99.97930	1.0
110.97562	3.0
116.98624	34.8
126.56307	0.5
127.00678	0.7
128.98613	2.4
134.99666	7.3
136.06172	0.8
139.00719	0.5
140.00256	0.7
141.02254	0.6
143.00150	0.9
146.99644	0.8
153.00705	0.6
155.00146	2.2
157.01671	0.7
158.99657	58.7
159.03262	1.3
161.01257	1.0
170.99654	1.4
172.94394	0.5
173.01224	9.4
175.02829	1.2
177.00716	43.3
177.03967	0.9
177.59676	0.4
178.00996	0.5
183.03191	0.5
189.00728	4.8
191.02280	7.9
192.32150	0.5
193.03822	0.6
195.01765	2.2
200.02345	1.1
201.00702	1.5
201.02583	0.5
201.04398	1.7
207.01768	4.2
213.00784	0.5
215.02330	2.7
219.01775	25.3
221.99843	0.5
225.04379	0.6
231.01784	5.0
233.03299	1.4
234.02730	0.5
237.02797	6.2
243.01709	0.7
243.05458	2.2
249.02916	2.4
261.02844	3.5
273.02789	6.9
279.03714	0.5
291.03857	2.2
303.03842	2.0
303.07407	12.5
315.03784	3.3
321.08548	13.3
322.08847	0.6
333.04962	3.1
345.04889	1.2
351.06064	1.4
363.05823	0.7
419.12100	3.3
429.10870	3.1
447.11768	40.9
448.11942	1.7
465.13602	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	465.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62476	1.0
54.96555	1.0
55.05505	1.9
57.22732	1.2
65.03925	1.2
67.05496	1.8
70.06588	2.2
71.08641	1.5
77.03888	1.2
79.05490	7.7
81.07043	2.9
83.04952	1.0
90.80427	0.9
91.05475	10.8
93.07051	2.8
95.04955	2.2
95.08605	1.8
98.98495	1.6
103.05442	5.5
105.04519	1.1
105.07022	23.3
107.04949	1.8
117.07044	1.2
118.88490	1.2
119.04941	9.3
119.05785	1.1
119.06082	0.8
120.05711	3.0
121.06499	10.6
124.05187	1.8
131.04942	1.5
133.02844	1.4
133.06458	1.6
133.10162	1.0
135.08046	100.0
136.08372	2.8
137.05968	17.2
147.04425	11.0
147.08034	2.2
149.06004	1.2
151.07527	11.5
159.08037	2.1
161.05949	1.3
163.07550	4.5
167.07021	2.5
179.07019	5.3
207.11723	2.0
209.09592	3.1
210.10429	1.6
224.12109	1.7
225.12703	2.0
226.06734	1.1
237.09149	2.2
239.14308	3.1
243.13840	2.7
252.11423	4.2
253.12045	1.8
255.10257	6.4
267.13715	5.3
270.08771	1.0
270.09708	1.6
270.12457	11.4
271.12833	1.1
285.14832	44.1
286.15164	2.1
287.16351	1.4
293.21155	6.6
309.10965	2.5
313.10364	1.1
337.10147	2.3
367.24731	4.3
393.08469	2.1
421.16318	1.9
435.17737	1.7
447.17554	2.4
465.22675	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
57.60876	0.8
59.04988	3.2
62.38851	0.8
62.52106	0.7
62.97252	0.8
67.05518	5.7
69.03430	8.9
69.07076	2.9
69.44805	3.6
70.06591	3.4
71.05005	2.4
79.05490	2.5
81.07050	4.3
83.08625	1.1
85.02901	8.2
87.04462	5.9
91.05466	3.2
93.07053	14.7
95.04927	1.2
95.08610	16.3
96.08124	0.8
97.02905	5.9
97.06527	3.9
105.07063	1.2
107.08598	22.1
109.10162	19.8
115.03938	10.5
119.08607	1.1
125.13265	0.8
127.03931	1.5
133.04958	10.1
133.93404	0.8
135.11690	45.9
145.04942	2.9
146.09506	0.9
148.07692	0.9
153.12746	100.0
154.13057	2.6
162.12840	2.1
171.13803	3.7
240.74644	1.1
247.09683	3.1
250.18163	1.5
283.71826	0.9
288.08316	4.0
295.10153	1.2
303.10495	3.5
327.85391	1.0
354.75220	0.8
360.18152	2.7
448.23364	4.2
465.15390	1.9
465.72284	1.6
466.24490	26.1
468.03717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01866	5.0
57.03433	2.3
59.04992	0.3
61.02930	1.8
68.99781	1.3
69.03425	12.4
69.45138	0.9
69.45526	0.6
71.01327	0.3
71.04996	1.9
72.47455	0.3
73.02911	2.9
77.03946	0.7
81.03412	11.0
81.07075	0.4
83.01371	0.3
85.02901	39.5
86.03240	0.3
87.00824	13.2
87.04468	0.6
91.03931	0.4
95.04979	0.3
95.08629	0.4
97.02890	13.4
98.23425	0.3
99.04449	6.1
101.02372	0.6
103.03942	1.7
103.05473	0.8
105.01865	20.5
108.04475	3.0
109.02872	11.2
109.03621	0.4
115.03928	0.6
115.05438	2.1
116.06261	0.8
117.01836	1.3
125.02320	0.3
126.05517	1.1
127.03909	29.3
128.04300	0.4
128.06219	1.7
129.01872	1.8
129.06995	1.9
131.04916	1.0
132.05710	2.0
141.06975	1.0
142.07751	0.9
143.03336	0.3
144.05594	0.5
145.04947	15.2
147.02902	1.4
152.06087	0.5
153.06990	5.2
154.07796	2.9
155.06036	0.7
155.08542	8.5
156.08818	0.4
158.31992	0.3
159.02872	7.5
163.43652	0.3
165.07004	6.2
165.16344	0.3
168.05692	7.2
169.06461	0.6
169.10112	0.4
170.07237	0.5
171.02834	0.9
177.03989	0.4
181.06454	1.5
182.07208	2.3
183.08041	100.0
183.17424	0.9
184.08424	1.9
185.09552	0.5
189.03932	4.6
191.08701	0.4
193.07619	0.8
194.07300	0.3
195.08018	0.7
196.74536	0.3
197.09599	5.3
198.06700	0.8
200.10701	0.4
201.09143	0.4
207.07999	2.0
209.09572	2.0
211.07532	0.7
213.03865	1.5
218.24721	0.3
221.09598	3.4
223.07640	1.5
224.10693	0.4
225.09081	7.4
230.06577	0.9
231.04987	11.0
233.09718	0.5
235.11205	1.2
237.09108	3.9
239.10698	0.5
245.09711	0.4
248.07648	2.1
249.06064	2.3
249.09082	3.7
261.09097	0.8
263.10629	2.7
265.08606	0.7
266.08704	0.7
267.10117	2.1
273.09076	2.6
279.10059	1.4
281.11710	0.5
291.10110	7.1
309.11221	3.7
327.12137	0.4
395.11115	1.0
413.12427	1.5
448.65002	0.3
486.64001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38448	0.7
57.07079	7.7
58.06592	2.1
59.48911	0.7
65.03945	2.2
70.06590	18.0
71.08632	3.1
84.03988	0.5
86.09734	0.8
88.07632	17.5
98.22705	1.5
99.48980	0.6
102.09187	13.0
139.03880	0.9
149.02350	54.4
149.03426	3.8
193.04967	59.1
212.23747	0.8
237.07573	58.0
238.08005	1.2
256.26358	40.7
260.81027	0.6
300.29059	3.7
342.18365	0.6
375.14404	2.3
390.16711	13.2
431.19397	0.8
434.15753	75.0
435.16159	4.8
452.16809	4.0
466.18356	65.5
466.31653	100.0
467.18521	3.3
467.32025	1.6
475.18375	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	466.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83386	0.3
55.05500	0.4
57.07067	4.5
58.06585	1.2
61.56273	0.3
65.03936	3.1
68.05022	0.5
69.87746	0.5
69.88079	0.8
70.06589	12.6
71.08624	1.9
72.08136	1.7
78.31644	0.4
83.04990	1.9
84.08136	2.1
86.09700	2.9
88.07603	1.7
89.06020	0.5
91.60869	0.4
121.02852	1.0
132.10194	5.1
139.03922	1.1
146.11754	6.0
149.02339	78.0
149.03410	5.2
150.02722	0.7
193.04956	96.6
194.05292	0.8
212.23712	1.1
238.25310	1.1
256.26459	1.0
300.28958	23.1
301.29391	0.5
305.10211	0.4
337.02383	2.6
375.14343	1.0
390.16714	4.2
391.17197	0.4
393.08618	5.3
404.28021	3.2
422.19357	0.5
434.15729	29.7
435.16159	1.7
449.14914	1.4
452.16962	1.8
466.18365	27.5
466.31622	100.0
467.18396	1.8
467.31888	3.2
475.18567	2.4
476.18869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03439	14.8
59.04995	3.5
61.02924	4.3
69.03436	52.3
69.45399	9.7
69.45699	2.7
69.55177	1.7
70.06575	3.7
73.02931	2.1
81.03431	2.0
84.11539	1.9
85.02909	38.2
87.04469	39.3
91.03995	2.9
95.04986	8.8
97.02895	49.2
109.02872	2.3
115.03931	64.1
115.04708	3.9
123.04447	29.2
124.05225	4.6
127.03928	5.0
133.04970	63.2
133.06517	2.6
140.04694	2.8
145.02852	6.0
145.04968	3.2
148.05214	3.1
150.07635	14.3
151.07584	13.1
153.05464	4.7
155.07033	100.0
155.08327	4.9
164.04681	18.1
165.09035	2.1
167.07031	4.1
177.05504	9.3
179.07036	63.4
182.05821	4.7
191.07031	11.2
197.08099	15.9
205.08627	3.3
221.08112	6.1
233.08080	13.9
251.09152	33.0
259.08249	2.7
281.10315	5.5
310.19992	3.0
426.08725	2.2
443.08810	5.3
451.59442	2.1
466.20798	7.2
467.08914	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	466.2437
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
53.94346	0.5
55.05498	0.8
58.06591	0.7
59.04985	1.1
67.05516	1.3
68.05014	0.5
69.03429	9.4
70.06587	5.3
71.04995	1.9
79.05499	1.8
80.05026	1.3
81.07050	1.6
82.06597	0.8
83.01354	2.9
83.13070	0.5
84.08138	1.8
85.02922	0.6
85.48268	0.5
91.05496	1.6
93.07059	1.6
94.06566	2.0
95.04963	1.1
95.08624	1.6
96.08133	2.4
97.06545	0.7
98.22625	1.0
99.04469	1.2
105.07027	1.2
106.06538	0.7
107.05018	0.7
107.08608	0.9
108.08128	0.9
109.06548	1.1
109.10176	0.7
110.07160	0.8
110.09706	3.7
111.08083	23.6
113.31777	0.5
114.96198	0.6
115.03929	1.7
119.08610	1.1
120.08114	0.8
121.06433	0.7
122.09699	3.2
123.08102	2.1
124.11195	0.6
127.03918	3.4
132.08089	0.6
134.09596	1.3
135.08076	0.6
136.11226	1.3
137.05984	2.1
139.07521	0.7
143.03398	1.5
147.08035	0.6
147.11699	0.6
150.09149	2.3
151.07573	0.5
152.10696	0.6
155.07048	1.0
159.08128	0.9
160.11162	1.0
162.09142	0.7
162.12807	2.0
164.10767	0.7
164.14377	0.8
165.09108	0.6
166.08629	0.9
167.03374	0.7
167.06985	1.1
168.10252	0.7
175.11185	1.2
176.11618	0.7
176.14288	0.8
177.09129	0.8
178.12245	0.8
179.06999	0.6
182.11801	1.2
183.06480	0.7
184.13324	1.5
187.07538	0.7
188.14398	0.6
189.09125	0.6
190.15933	1.1
196.13391	0.9
197.08134	2.0
198.14949	1.6
204.07814	0.5
204.13936	0.9
206.15396	1.2
209.08052	1.2
209.92349	0.5
218.15398	0.8
223.09567	0.8
230.29376	0.6
234.14897	6.2
236.16566	0.8
237.11263	0.8
247.09633	2.8
250.18094	1.3
262.18054	0.6
265.10779	2.0
285.13867	0.6
291.05930	1.4
292.06036	0.9
294.20682	0.9
306.20639	0.9
308.18585	0.7
318.17117	1.7
322.20123	4.4
334.16589	1.9
360.18051	17.8
361.18515	1.2
422.17657	3.0
422.22647	1.1
434.21701	13.0
448.23373	35.5
449.23648	1.6
465.72375	1.2
466.16824	13.3
466.24359	100.0
467.17453	0.6
467.24731	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	466.2437
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
55.01887	0.8
55.05523	0.7
58.06630	0.9
67.05521	1.7
68.05054	0.8
69.03427	3.4
69.07043	0.5
69.40352	1.8
70.06591	4.9
71.04996	3.2
74.19127	0.4
79.05509	1.6
80.05035	1.5
81.03455	1.5
81.07070	1.5
82.06609	0.9
83.01344	1.0
84.08167	1.4
85.02924	1.6
85.06566	0.6
91.05499	2.0
93.07072	1.3
94.06599	1.1
95.04987	1.9
95.08635	1.8
96.08121	2.6
97.02898	1.0
97.06519	0.5
98.23418	1.1
99.04485	1.2
105.07063	2.0
106.06577	0.7
107.08624	1.2
108.08152	1.8
109.06541	0.9
109.10194	0.9
110.09678	4.0
111.08108	2.1
115.03954	1.0
117.07047	0.9
119.08607	1.2
120.08134	1.1
121.06524	0.8
122.09702	2.1
123.08126	0.8
124.07644	0.9
125.06052	0.8
127.03958	1.4
129.05502	0.6
131.08575	1.6
132.08116	0.8
133.06450	0.6
133.23425	0.5
134.09669	4.1
135.08101	1.2
136.07625	0.6
136.11209	1.3
137.05991	0.9
137.09665	1.1
138.09166	1.5
138.12845	0.6
143.08575	0.8
145.05003	1.1
145.10179	0.6
146.09755	0.8
147.04477	0.6
147.11664	0.6
147.81664	0.5
148.11238	0.8
150.09186	1.3
151.07599	0.9
152.10735	1.0
153.05589	0.5
155.07118	0.7
155.08408	0.5
159.08151	1.4
160.11314	0.9
161.09616	0.9
162.09207	1.8
162.12804	2.7
163.13538	0.7
164.14384	1.0
168.10204	0.6
175.11308	0.6
179.06949	0.6
180.13933	0.5
182.11856	1.6
183.06548	0.6
184.13359	0.7
187.07581	0.9
188.14445	0.7
188.42447	0.5
190.12392	1.6
190.15979	0.7
191.07063	0.6
193.12306	1.0
194.11838	0.8
196.13387	1.3
198.14928	3.0
205.08632	1.1
206.11824	1.4
206.15494	0.6
208.13344	0.7
215.07193	0.5
218.11833	1.0
219.06503	0.6
219.10178	0.6
232.13464	0.6
233.08173	0.9
234.14977	0.8
236.16542	1.0
246.14890	6.9
247.09689	0.7
247.89471	0.4
248.16684	0.8
250.18248	1.6
263.09143	6.8
265.10873	2.0
267.15970	0.5
268.16284	0.9
286.17487	0.5
292.19269	0.6
299.07312	0.7
304.05359	0.6
304.15570	0.7
310.20480	0.7
320.18719	1.2
328.15494	0.6
334.16733	0.8
334.20313	3.2
338.19852	0.8
344.15250	0.7
360.18036	16.3
361.18503	0.8
361.55444	0.6
386.15863	0.5
388.21259	0.6
390.18881	0.6
416.20926	1.0
420.20831	0.7
430.22498	1.1
433.20950	0.8
434.21802	7.0
448.23352	23.6
449.23581	1.2
466.24579	100.0
467.11545	6.0
467.24649	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	466.2435
Annotation	Gln Arg Tyr
Peak:m/z	Relative Intensity
51.20151	0.2
55.01862	0.4
55.05519	0.6
67.05499	1.0
68.05036	0.4
69.03423	2.5
69.37415	1.2
70.06590	5.2
71.04996	3.5
71.07360	0.3
73.80927	0.2
79.05509	1.2
80.05015	1.3
81.07052	1.0
82.06579	0.4
83.01340	3.2
84.08150	2.1
86.06071	0.6
89.03907	0.3
91.05490	0.7
93.07040	0.9
94.06563	1.5
95.04952	0.9
95.08610	2.0
96.08131	1.7
97.08917	0.3
98.06059	0.9
98.22704	0.5
99.04446	0.4
105.07025	0.8
107.08578	0.4
108.08135	0.5
109.06506	0.5
109.08916	0.5
109.10136	0.3
110.09675	1.4
111.08074	5.4
112.07635	0.3
115.03941	2.0
117.03378	0.3
119.08582	0.7
120.08102	0.9
121.06435	0.3
122.09664	3.4
123.08080	1.1
124.07576	0.5
124.11225	1.2
125.06007	0.4
126.09192	0.4
127.03850	0.3
128.07082	0.3
129.05473	0.7
131.08565	0.3
134.09648	1.0
135.08025	0.3
136.11209	2.2
138.12781	0.5
139.07602	0.5
140.10649	0.4
143.03403	0.9
145.02850	0.9
146.09651	0.4
148.11212	0.5
150.09146	2.6
152.10744	1.4
154.12294	0.4
155.07079	0.2
157.04953	0.4
160.11108	0.3
162.09212	0.3
162.12779	2.2
164.10617	0.4
164.14355	6.5
168.10202	2.9
170.11794	0.6
172.11180	0.3
174.12733	0.3
176.14290	0.6
176.37953	0.2
177.05498	1.0
177.15186	0.3
178.12381	0.3
180.10233	0.4
182.11771	6.2
182.15366	1.3
184.13333	0.9
190.12343	0.3
190.15907	1.0
198.11272	0.7
202.12242	0.4
206.15469	0.3
208.13332	0.4
216.13869	0.3
218.15492	0.5
218.19032	0.3
219.10275	0.4
220.13411	0.5
224.16467	0.7
234.14882	2.2
236.16435	7.4
237.16927	0.3
238.14302	0.3
247.09595	0.5
248.16492	0.3
262.18176	0.7
264.19601	1.1
278.17389	0.4
280.19141	0.7
290.17480	0.6
292.19025	1.3
308.18506	6.7
322.20041	2.4
324.21640	0.4
360.17630	0.3
368.20700	1.1
368.67419	0.4
390.22693	0.9
392.20612	0.3
397.79742	0.2
406.22604	0.3
434.21725	12.7
435.21942	0.4
448.23712	0.5
465.72296	0.8
466.24350	100.0
467.24704	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	466.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33419	0.4
55.01879	1.1
58.06587	0.9
59.05000	0.7
67.05495	1.4
68.05011	0.5
69.03428	3.0
70.06236	1.0
70.06594	13.6
71.04990	1.0
71.46388	0.7
79.05479	1.1
80.05010	1.1
80.13640	0.5
81.07055	1.6
82.06577	0.9
83.01342	0.6
84.08154	1.3
91.05482	1.3
93.07047	1.6
94.06554	1.3
95.08615	0.8
96.08132	2.5
97.08902	0.9
98.06033	1.3
105.07036	1.3
106.06525	0.7
107.08585	1.3
108.08147	1.4
109.06578	0.8
109.08946	0.7
110.09696	4.2
119.08535	0.8
120.08143	1.5
122.09650	2.6
123.08105	0.7
124.11233	1.1
125.06047	0.5
129.07005	0.7
131.08577	1.3
134.09683	1.9
135.08072	1.0
136.11192	1.1
137.09663	0.5
138.09119	1.4
146.09688	0.5
147.10478	0.5
148.11168	0.6
149.06013	1.4
150.09158	1.5
151.07574	1.0
152.10706	0.9
153.05460	0.8
159.08080	0.8
160.11288	0.8
161.05916	0.6
162.12836	1.7
164.14383	1.2
168.10318	0.6
174.12720	0.7
175.07603	0.8
177.05504	0.8
179.07004	0.8
181.72711	0.5
182.11755	1.2
184.13399	0.9
187.07541	0.7
190.15889	0.8
196.13342	1.4
198.14877	4.1
203.10582	0.7
205.08583	0.9
216.13942	0.6
217.05118	0.7
219.10030	0.5
221.08163	0.5
224.16405	0.9
227.25185	0.5
232.07437	0.6
234.14868	0.9
236.16521	1.3
246.14893	8.4
247.09856	0.7
248.16481	0.6
250.18062	1.5
263.09125	5.8
265.10709	3.6
278.14063	0.5
278.17569	0.5
278.21103	0.8
294.14752	0.6
320.18619	1.1
328.15198	0.6
334.16605	1.0
334.20236	3.9
360.18005	19.6
361.18161	0.8
369.17163	0.6
390.19144	1.2
398.72354	0.5
416.20804	1.4
417.19763	1.4
417.69772	0.7
430.22339	1.7
433.21005	0.8
434.21768	9.4
448.23340	24.7
448.29605	1.2
449.23822	0.9
465.72498	6.5
466.24393	100.0
466.72415	0.6
467.24826	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	466.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59145	0.4
53.80963	0.4
55.01870	1.0
55.05510	0.8
57.03422	0.5
58.06590	1.0
59.04999	1.2
60.75404	0.4
67.05513	1.5
68.76904	0.4
69.03423	4.0
69.15340	2.5
69.35461	0.4
70.06585	4.9
71.04993	1.0
74.77481	0.4
79.05492	1.5
80.05020	1.2
81.07059	0.8
82.06593	1.0
83.01359	0.8
83.07343	0.5
84.08129	2.6
84.65322	0.4
85.02917	1.7
85.06519	0.6
86.06081	0.6
86.09698	0.7
91.05504	1.4
93.07051	1.5
94.06573	1.5
95.04980	1.3
95.08619	1.0
96.08139	2.3
97.02881	0.9
97.08934	0.5
98.06075	0.5
99.04451	1.1
99.23647	0.4
100.07571	0.4
101.06035	0.5
103.67603	0.4
105.07034	1.6
106.06581	0.6
107.08603	0.6
108.08137	1.2
109.06544	1.0
109.10134	0.4
110.09680	3.8
111.08093	1.9
115.03924	0.5
117.07045	0.6
119.08564	0.6
120.08096	2.1
121.06556	0.6
121.09000	0.4
121.10206	0.6
122.03656	0.8
122.09667	2.5
123.08051	0.8
123.10522	0.6
124.07600	0.9
124.11234	0.7
125.05992	1.3
127.03954	1.6
133.06483	0.7
134.09656	2.7
135.08086	0.6
136.07587	0.6
136.11203	1.2
137.05968	9.6
137.12048	0.6
138.09210	1.0
139.03928	1.4
139.07529	0.7
143.08621	0.6
145.10146	0.8
146.09679	1.3
147.04414	1.4
148.07616	0.5
148.11212	0.8
149.05978	1.4
149.09666	0.5
150.09183	1.7
150.12787	1.0
151.03929	0.5
152.10706	0.5
153.01823	0.5
155.03435	0.9
155.07094	0.7
158.09619	0.5
159.08018	0.6
160.11189	1.1
161.09683	0.5
162.05458	0.7
162.09135	0.9
162.12793	3.0
163.13611	0.5
164.10741	0.6
165.05522	0.6
167.07057	0.7
173.09659	0.7
174.12747	0.8
176.10785	0.8
177.05432	0.4
178.12325	1.0
180.10294	0.6
181.08621	3.3
182.09029	0.5
182.11794	0.9
183.06552	1.5
183.09160	1.2
184.13371	0.7
188.14455	0.6
189.09044	0.8
190.04913	2.1
190.12244	0.9
191.07050	0.5
194.11865	0.6
196.13365	1.9
197.08063	0.5
198.14886	5.0
199.10371	0.4
205.01401	1.0
206.15436	0.5
214.14331	0.6
216.13785	1.1
221.04480	1.1
222.14931	1.6
231.10194	0.7
232.13405	1.5
234.14871	1.1
236.16605	1.1
244.13406	0.7
244.17146	0.6
246.14891	1.3
247.09650	4.8
249.11226	0.8
250.18013	2.6
252.13937	0.5
262.14474	1.9
262.18085	0.5
263.09225	1.3
265.03491	0.6
265.10748	1.0
266.17587	1.0
267.05182	0.5
270.14685	0.6
274.18292	0.5
281.50528	0.5
283.04337	2.6
290.17380	0.7
294.20663	0.6
300.15872	0.6
300.19330	0.5
302.14322	0.4
303.04947	3.6
304.05280	9.0
304.15521	0.9
305.05374	0.6
320.18588	1.9
328.15430	1.3
330.17004	2.9
334.20227	0.7
342.16956	1.1
350.19672	1.8
360.18008	12.5
361.18399	0.5
374.19473	2.6
388.21310	0.6
404.20578	0.9
416.20670	1.4
417.21591	2.0
418.22110	4.4
430.22565	0.8
431.09875	1.3
434.21616	6.7
448.23398	20.9
448.29599	1.1
449.23712	1.7
466.24384	100.0
467.24701	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	466.2436
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
56.05024	0.5
58.06605	1.5
59.05018	0.4
59.75183	0.4
67.05510	1.5
68.05036	0.8
69.03439	1.5
69.68147	1.4
70.06595	2.6
71.05012	0.4
79.05501	1.5
80.05028	1.6
81.03442	0.5
81.07072	1.1
82.06589	1.9
83.01336	0.6
83.07369	0.9
84.08147	4.3
84.29260	0.4
85.02898	0.5
85.06538	0.9
86.06087	1.5
86.09706	0.9
91.05486	1.5
93.02009	0.4
93.07063	1.1
94.06575	1.4
95.04981	1.1
95.08620	1.0
96.08134	2.6
97.06532	0.6
97.08932	1.1
98.23460	0.5
99.04427	0.7
100.07613	0.6
105.07057	1.4
107.08608	1.0
108.08128	5.8
109.06530	0.8
109.08920	0.7
109.10146	0.9
110.09679	6.9
111.08115	1.2
117.07025	0.6
119.08607	0.5
120.08118	1.1
121.06544	0.7
122.09657	2.3
124.07594	0.9
124.11230	1.8
125.05976	0.7
126.09179	1.4
129.07071	0.8
131.08591	0.5
133.06546	0.6
133.10138	0.6
134.09694	1.7
136.11224	1.2
137.05994	0.6
137.09634	0.5
137.11951	0.6
138.09174	0.8
138.12820	0.7
141.05484	0.5
146.09671	0.6
148.07573	0.6
148.11256	0.7
149.06007	0.9
150.09123	2.1
150.12834	0.7
152.10718	1.3
155.07185	0.6
161.05975	0.5
161.09727	0.4
162.09186	0.5
162.12787	3.7
164.10750	1.4
165.05563	0.6
166.12321	0.8
167.07103	0.9
168.10271	0.7
178.12247	1.1
180.10196	0.7
181.08614	0.7
182.11763	2.7
183.06560	1.8
184.11758	0.4
184.13295	2.1
185.13742	0.5
189.09212	0.6
190.05049	0.7
196.13348	3.8
198.14902	7.8
206.15312	0.5
210.14972	0.9
214.14435	1.4
216.13785	0.6
217.08475	0.6
222.14821	0.7
234.15102	0.6
236.16599	1.2
236.82564	0.5
247.09622	6.3
248.16527	0.4
250.18048	3.6
262.14426	3.8
266.17557	1.6
288.15775	0.5
294.20703	0.7
304.05463	1.6
318.17148	0.5
322.20346	0.5
334.16577	1.0
336.18076	0.7
342.17038	1.1
350.19650	5.4
360.18103	13.3
361.18680	0.5
388.21027	0.5
398.19507	0.6
416.20761	0.7
430.22501	0.6
433.20731	0.5
434.21725	8.0
448.23413	24.9
449.23590	1.2
454.29633	0.5
466.24396	100.0
467.24780	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
57.03433	4.4
57.07066	0.6
57.27510	0.3
59.04992	0.8
60.04514	0.5
61.02943	0.5
64.90813	0.3
67.05501	1.3
68.73794	0.3
69.03428	17.6
69.07078	0.7
70.06586	1.4
73.02912	0.4
75.04465	0.4
77.34940	0.3
79.05494	5.5
81.03409	0.8
81.07056	100.0
82.07380	1.2
82.92122	0.3
85.02905	14.6
85.80213	0.3
87.04465	13.7
91.05509	0.3
93.07044	0.8
95.04965	0.5
95.08610	8.0
97.02890	15.4
98.06101	0.3
99.04477	0.4
109.02878	1.0
109.10163	0.3
111.04416	0.3
111.08118	0.7
115.03930	28.6
127.03904	3.1
133.04964	30.5
135.04358	0.3
137.13251	30.2
138.13606	0.7
145.04962	5.0
150.07637	2.4
154.15881	0.5
161.04436	0.4
163.06033	2.7
163.35576	0.3
166.42833	0.3
169.04948	0.8
175.06039	0.7
211.05954	0.4
223.06010	0.5
227.68845	0.3
234.14864	0.4
241.07214	0.9
259.08130	3.7
277.09213	1.9
281.17642	0.8
295.10233	8.2
299.18567	0.8
317.19574	1.3
318.16965	0.4
360.18109	0.5
364.37012	0.3
448.23587	0.8
466.13965	1.1
466.24567	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	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54257	0.6
53.03957	1.1
53.38434	0.6
55.01869	1.9
55.05515	2.0
57.03445	4.4
57.07073	2.0
59.05007	0.6
61.02927	2.6
65.03935	0.5
66.88830	0.5
67.05507	4.0
69.03440	8.7
69.07072	3.4
69.21400	3.7
71.04994	1.2
73.02916	11.7
79.05505	7.6
81.03433	2.3
81.07059	100.0
82.07393	1.5
83.04982	0.7
83.08665	0.5
85.02911	19.6
85.06554	0.7
86.09736	0.7
87.04479	1.8
88.99357	0.6
91.03950	1.0
93.07037	1.0
95.04981	1.6
95.08611	17.0
97.02894	13.9
98.23481	1.2
103.03944	1.0
107.08614	1.9
109.02886	2.2
109.10184	1.5
111.72940	0.6
115.03928	9.8
121.10172	1.0
122.90176	0.6
127.03911	9.0
133.04967	11.4
133.10144	1.7
137.09622	1.3
137.13255	24.2
138.13531	0.6
140.17262	0.7
145.04958	10.4
147.11693	0.7
149.13196	0.7
151.03918	0.9
152.04391	0.6
154.15875	0.7
155.14334	3.5
163.06056	4.7
173.15395	2.8
177.12419	0.6
181.76459	0.6
184.07388	0.8
191.14320	1.6
193.04811	0.9
211.15208	0.6
223.06038	2.0
241.07053	2.1
259.08075	5.6
264.83145	0.5
269.17389	0.7
277.09262	1.4
295.10208	3.2
423.30469	1.2
466.21387	0.8
466.73560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.1
57.07058	1.3
58.53986	0.7
59.05014	0.8
59.93326	0.8
61.02920	1.0
61.43563	0.8
67.05497	2.9
69.03072	0.8
69.03436	13.6
69.07063	3.0
69.46857	3.4
79.05489	6.9
81.07061	100.0
85.02912	10.7
87.04475	9.5
93.07027	1.0
94.35551	0.8
95.08609	15.6
97.02899	11.1
99.04433	0.9
109.10179	1.3
111.83585	0.9
114.92341	0.7
115.03937	20.6
118.17320	0.9
127.03925	2.4
133.04967	24.8
137.12250	1.5
137.13264	23.7
145.04935	2.0
150.07632	2.0
154.15923	1.3
241.07079	0.9
259.08298	1.4
277.09314	1.3
295.10126	1.9
351.44971	0.8
395.54825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.2
55.05511	7.3
57.03442	3.5
59.05013	3.7
66.71632	2.8
67.05508	6.0
69.03429	20.4
69.07071	4.9
70.06596	7.3
73.96331	2.4
74.87273	2.3
79.05497	8.3
81.07056	100.0
81.32298	2.6
83.08639	4.4
85.02899	19.5
85.59290	3.1
87.04456	14.9
91.05409	3.5
93.07065	4.4
95.08587	21.0
97.02893	18.0
100.11251	21.8
111.04469	4.4
111.08109	3.9
112.07662	2.7
114.09234	2.9
115.03925	27.5
127.03933	5.9
133.04950	29.0
133.73882	3.0
137.06000	3.7
137.13237	25.7
145.04971	6.7
145.10181	3.9
150.07657	3.5
150.09187	3.5
154.12271	7.7
182.15422	9.3
201.94400	3.0
209.16481	4.9
210.14868	8.2
228.15820	2.7
234.14938	3.8
277.09082	3.7
313.11563	2.5
360.17929	5.3
450.21356	4.0
460.13818	2.8
466.20749	12.0
466.25504	4.6
466.35205	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	466.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05516	13.4
57.03188	0.8
57.03447	7.9
57.07076	6.4
62.06092	0.6
67.05163	0.7
67.05509	9.0
67.79755	0.4
69.07073	20.2
69.71882	1.4
70.06586	0.7
71.04995	0.5
71.08639	3.3
79.05497	4.8
81.07061	11.9
83.04971	0.9
83.08628	12.2
85.06554	0.6
85.10170	1.9
91.05471	1.4
93.07052	6.8
95.08611	11.4
97.06559	2.3
97.10163	7.8
98.22682	0.5
98.98488	0.8
104.02712	0.5
105.07012	0.6
107.08611	3.9
109.10166	4.8
111.08084	1.1
111.11712	2.0
121.10149	5.8
123.11697	1.0
125.09646	0.9
135.11693	3.6
137.13191	0.7
139.11148	1.0
149.13255	1.8
151.14795	0.5
163.14830	0.8
198.05304	0.6
216.06236	0.5
233.22545	0.7
251.23700	0.8
267.48965	0.5
294.28015	2.9
325.27377	100.0
326.27722	5.5
335.36835	0.5
466.21167	1.4
467.21735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.4
68.21013	0.5
70.06596	1.6
78.86404	0.5
84.96029	1.4
98.97585	78.5
100.99126	0.9
110.97585	6.0
112.99129	7.2
116.98624	21.8
120.08096	0.9
124.99116	2.0
128.98613	5.7
131.00160	10.6
134.99678	4.2
140.00137	0.8
143.00162	7.4
143.62386	0.6
146.99654	4.0
149.01254	8.5
155.00174	1.4
158.99664	30.3
161.01198	6.8
167.02303	2.1
170.61159	0.7
170.99655	3.5
173.01202	6.3
177.00714	16.8
177.02272	1.0
179.02318	1.0
185.01262	1.9
189.00682	3.2
191.02252	6.9
194.99907	0.7
195.01711	0.9
201.00705	2.8
203.02281	4.8
207.01825	0.9
209.03351	15.8
218.99651	1.2
219.01775	24.2
223.86003	0.7
227.04358	6.7
231.01808	1.3
233.03400	1.4
237.02823	13.1
237.05234	0.7
242.73987	0.6
243.01918	0.8
245.05013	0.7
249.02827	0.9
251.04411	1.4
261.02875	1.3
263.04401	2.1
279.03882	2.4
281.05444	5.8
293.05536	1.7
304.98865	0.7
305.09210	1.3
311.06293	1.0
320.01071	0.6
323.06622	0.9
323.10248	1.5
338.02368	1.1
353.07547	100.0
354.07858	2.9
371.08621	34.1
372.08810	1.3
394.10086	1.2
407.13998	1.5
449.13574	2.0
466.27673	1.3
467.11298	69.9
468.11725	2.7
485.09204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1166
Annotation	BENFOTIAMINE
Peak:m/z	Relative Intensity
60.70428	0.5
62.17152	0.5
62.48173	0.5
70.29485	0.6
70.29819	1.3
73.28751	0.5
75.82810	0.6
94.62531	0.5
95.68341	0.5
98.97591	0.8
125.64153	0.6
126.30791	0.6
158.99608	1.1
258.19617	0.7
273.43430	0.6
307.08865	0.7
353.07574	1.0
381.15765	0.7
467.11633	100.0
468.11951	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	467.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.4
67.81715	0.7
70.06596	1.4
84.96063	1.3
94.61560	0.7
98.97585	59.7
100.99130	1.0
110.97564	3.9
112.99123	6.7
116.98621	17.9
116.99387	1.1
120.08123	2.6
124.99071	1.1
128.98611	4.0
130.93256	0.9
131.00186	9.3
133.71387	0.7
134.99686	2.7
143.00175	6.6
146.99692	2.5
149.01241	9.0
155.00186	2.2
158.99657	25.8
161.01224	4.6
166.08643	1.1
167.02313	1.2
170.99677	2.3
172.94276	1.2
173.01234	6.8
177.00716	12.4
185.01299	2.2
189.00737	3.8
190.17891	0.7
190.95526	1.1
191.02260	6.7
201.00754	1.6
203.02368	2.7
207.01979	1.2
208.32986	0.8
209.03322	14.7
209.05113	1.0
219.01776	21.2
219.03773	1.4
224.16154	0.7
227.04410	5.3
231.01892	1.2
237.02800	12.4
251.04472	1.2
261.02960	2.2
263.04538	1.5
273.02863	1.3
279.03955	2.7
281.05408	4.4
293.05539	2.7
311.06485	1.6
320.01178	1.1
338.02234	1.6
353.07559	69.0
354.08069	2.2
371.08636	24.0
376.02600	1.1
394.03305	0.8
467.11530	100.0
468.11963	4.7
485.08978	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1551
Annotation	Symplocoside
Peak:m/z	Relative Intensity
55.01858	0.9
55.21983	0.3
56.43124	0.3
61.02898	0.4
65.03929	0.7
67.05491	0.9
68.99790	1.0
69.03420	0.6
70.68652	0.4
81.03421	0.3
83.04962	0.6
85.02928	1.6
91.05495	0.9
93.03394	0.9
94.04153	0.5
95.04969	1.7
97.02901	1.1
99.81524	0.3
107.04945	0.6
111.04419	2.4
115.05450	0.4
119.04923	2.3
122.03658	1.6
123.04424	0.5
127.03893	0.4
131.78935	0.3
133.06480	0.6
135.04401	0.7
137.05969	56.1
138.06287	0.7
139.03891	100.0
140.04230	1.2
143.04915	0.9
147.04399	20.1
151.03905	1.0
151.07516	0.4
153.05418	0.8
160.05247	0.4
161.05991	1.4
163.03809	1.5
167.07210	0.3
175.07568	2.7
179.07021	6.6
180.33937	0.3
181.04933	1.6
184.54472	0.3
185.91881	0.3
189.05351	0.3
193.08617	1.2
203.06969	0.5
205.04924	0.4
221.08060	2.7
263.09082	0.4
287.09198	0.9
301.09302	0.5
305.10165	20.7
306.10526	0.4
467.11398	0.9
467.24438	0.8
468.22180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.155
Annotation	Symplocoside
Peak:m/z	Relative Intensity
55.01865	0.8
59.71281	0.3
61.02922	0.3
64.71581	0.2
65.03940	0.7
67.05504	0.9
68.99781	0.9
69.03420	1.3
69.19821	0.2
70.06587	1.0
72.08148	0.7
82.18642	0.2
83.04980	0.5
84.08141	0.4
84.72706	0.3
85.02902	2.1
91.05490	1.2
93.03405	0.9
93.33759	0.3
94.04188	0.5
95.04971	2.0
95.08601	0.3
97.02895	1.1
99.04440	0.4
105.07069	0.3
107.04962	0.5
110.07180	0.7
111.04459	2.6
111.08094	1.2
115.03924	0.4
115.05437	0.3
119.04954	2.5
120.08104	0.4
121.02895	0.4
122.03651	1.8
123.04458	0.7
123.08154	0.4
127.03847	0.5
130.15939	1.4
133.04988	0.3
133.06500	0.4
135.04442	0.9
136.07603	0.6
137.05978	54.7
138.06320	0.8
139.03900	100.0
140.04227	1.6
143.04922	0.9
145.04930	0.4
147.04408	17.3
148.04839	0.3
149.05971	0.5
150.09232	0.3
151.03903	1.4
151.07500	0.4
153.05447	0.7
155.07068	0.3
157.76845	0.2
160.05200	0.5
161.05959	1.5
162.05385	0.3
162.83659	0.2
163.03880	1.7
167.07056	0.5
169.04980	0.4
175.07552	3.1
177.05533	0.5
179.07028	6.8
180.07300	0.3
181.04985	1.4
182.11700	0.3
189.05501	0.4
190.04987	1.0
191.05345	1.1
191.06979	0.5
193.08626	1.7
195.01118	1.1
203.07059	0.8
205.04973	0.4
221.08101	3.0
234.14787	0.3
263.09073	0.5
287.09113	0.8
293.09262	0.3
295.17462	0.5
299.07324	0.5
301.09204	0.4
305.10190	18.4
306.10550	0.7
338.19861	0.5
432.20334	0.4
449.20123	0.3
450.21112	2.4
467.11493	4.3
467.20941	2.7
468.22220	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	467.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.0
56.27594	0.7
57.03444	8.5
57.07080	26.5
67.05508	9.4
69.07081	6.6
69.64579	2.8
71.08635	18.7
79.05505	1.3
81.07060	12.4
83.08627	7.5
85.10197	10.7
93.07050	1.0
95.08611	13.2
96.08961	0.9
97.10159	3.5
98.98472	37.7
107.08607	1.0
109.10160	8.1
121.10155	1.0
123.11731	2.5
125.13278	1.0
137.00000	3.1
137.13231	1.2
142.57712	0.7
155.01048	45.9
155.24318	0.7
164.95863	0.8
169.02606	0.7
211.03745	1.5
229.04791	2.9
239.23746	4.8
313.27386	100.0
314.27713	3.8
338.27689	3.2
380.04205	0.8
393.24066	2.8
449.26685	16.4
467.21289	1.9
467.37122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.03437	0.4
57.07071	0.8
65.03942	1.0
67.05479	0.5
69.03428	1.1
69.07088	0.8
71.05003	0.9
71.08636	0.5
71.45207	0.4
79.05472	0.9
81.03416	1.4
81.07043	0.5
83.04994	0.4
83.08622	0.3
85.02911	0.5
85.06573	0.4
89.06007	1.6
91.05482	44.1
92.05815	1.1
93.07002	0.6
95.08640	0.4
97.02889	0.3
104.06257	3.2
105.06347	0.7
105.07031	8.6
111.08094	0.7
117.07059	0.4
124.93765	0.4
129.06967	0.6
131.08580	0.5
133.10129	95.2
134.10458	2.0
137.45183	0.3
143.08569	0.5
147.06868	0.5
147.08054	8.5
147.09122	0.5
149.09602	2.1
153.09123	0.5
155.01048	0.3
156.96364	0.6
168.55104	0.3
171.10242	0.5
187.11165	0.5
213.12766	0.6
263.17868	0.5
279.17499	0.6
283.17538	0.6
295.24954	0.3
333.17065	0.4
339.28934	0.7
363.27451	0.8
375.27319	0.4
381.28644	0.4
393.28735	0.5
411.29474	0.8
423.40753	0.3
467.33426	100.0
468.33759	5.1
482.88751	0.3
486.45013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3347
Annotation	28-Norbrassinolide
Peak:m/z	Relative Intensity
55.05496	0.7
57.03436	0.7
57.07071	0.9
67.05505	0.8
69.07067	1.4
69.33833	1.6
71.08630	0.8
78.47752	0.4
79.05553	0.4
81.07059	1.4
83.08598	0.9
86.55875	0.5
89.06052	2.1
95.08601	0.9
97.10158	0.5
107.08617	0.7
109.10130	0.8
113.00023	1.4
118.60298	0.4
133.08612	1.1
135.54584	0.5
157.18620	0.6
169.02632	1.5
203.07411	0.5
222.88142	0.5
239.14885	0.5
282.58505	0.5
325.93652	0.5
339.28925	6.4
449.34009	0.5
467.33453	100.0
468.33768	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	468.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91750	2.2
83.08652	0.9
92.00163	0.8
98.23447	1.1
115.58656	0.9
180.87985	0.8
421.29144	1.0
450.77200	0.9
456.52704	0.8
458.30884	0.8
468.14240	100.0
468.36600	2.5
469.14850	5.1
491.16422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59064	1.1
62.01506	1.1
67.92152	1.2
75.75597	1.1
86.48174	1.1
93.07043	1.3
93.40986	1.1
95.08640	1.3
108.75502	1.5
129.08548	1.2
131.57309	1.3
169.40071	1.3
185.13240	1.4
229.15390	1.4
413.53421	1.5
468.14206	100.0
468.37411	1.8
469.14542	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	468.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03947	0.4
55.01874	0.5
57.03448	1.0
57.77095	0.2
61.02934	1.2
69.03429	4.8
69.87484	0.4
69.87874	0.3
71.04995	0.3
73.02914	1.7
79.50435	0.2
80.04984	0.2
81.03419	3.1
85.02905	13.2
87.04463	2.7
91.03947	0.8
97.02888	3.8
97.03491	0.3
98.23387	0.2
99.04454	0.7
103.03947	2.0
109.02879	2.0
115.03928	6.3
117.05683	0.2
118.06547	1.9
127.03912	6.3
128.05052	0.2
132.82753	0.2
133.04997	1.0
142.06531	0.2
145.03816	0.4
145.04959	7.0
146.06003	100.0
147.06337	2.3
157.04974	0.6
158.05920	0.2
160.07562	3.1
163.06006	0.5
164.76704	0.1
170.06004	2.4
175.06058	0.3
180.08063	0.3
184.07578	0.8
186.05534	0.4
186.09192	0.2
187.06021	0.2
188.07072	5.5
192.06548	47.8
193.06886	1.1
197.60098	0.2
198.09166	0.4
200.07030	0.3
204.06544	0.5
208.07622	0.3
212.07036	1.0
213.24216	0.2
216.06584	1.3
217.07011	0.3
223.06259	0.2
226.08598	0.5
228.06602	0.4
230.08180	0.2
234.07614	4.9
235.07947	0.2
236.07060	0.5
236.16396	0.7
242.08185	0.2
254.08081	1.6
258.07547	2.1
259.08066	1.5
272.09183	0.6
277.05597	0.2
277.09055	0.2
282.07590	2.9
300.08646	2.3
318.09940	0.3
386.12335	0.2
404.13300	0.5
422.14105	0.5
432.12732	0.3
450.14008	0.4
483.15121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01871	2.6
57.03429	5.4
61.02924	6.5
65.21020	1.1
69.03430	27.8
70.36671	1.9
71.04999	3.5
73.02908	7.7
81.03424	15.0
85.02907	87.6
87.04471	26.4
91.03960	5.6
91.06587	1.1
97.02893	24.9
99.04454	6.0
101.02389	1.2
103.03934	2.3
109.02876	11.2
111.08113	3.1
115.03933	100.0
116.04294	1.3
122.09695	1.3
127.03913	46.2
131.57307	0.9
133.04965	40.7
134.09694	1.7
139.03952	3.1
145.04964	51.7
146.12880	1.0
157.04993	1.7
162.12802	1.0
163.06029	8.7
175.05962	1.4
201.29060	1.1
241.07036	3.6
259.08170	12.1
277.09189	27.2
306.15082	1.5
324.18057	1.1
349.10089	1.1
410.74283	1.3
425.64676	1.1
450.21347	7.2
468.22360	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	468.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01870	2.5
57.03429	4.8
61.02927	6.0
67.05492	2.1
68.79729	1.6
69.03432	25.8
69.62415	7.4
70.06575	2.5
71.05003	3.2
73.02911	6.5
81.03420	16.1
81.07049	1.8
85.02904	87.8
86.34387	1.7
87.04465	23.0
91.03969	3.6
96.33984	1.7
97.02892	27.2
99.04455	6.3
103.03957	2.1
109.02892	14.6
111.08084	6.4
114.05497	2.2
115.03928	100.0
116.04280	2.7
127.03909	48.4
127.80153	1.8
133.04959	40.7
145.04956	58.3
155.07123	1.7
157.04953	2.7
163.03870	3.3
163.06013	10.9
165.03635	1.7
167.07013	2.2
168.10126	2.1
170.05522	1.8
200.87941	1.9
201.03525	1.8
223.99536	1.9
241.07031	3.3
259.08157	15.5
277.09186	32.7
306.15182	3.7
335.58853	1.7
355.05344	3.7
415.12283	3.0
450.21280	14.8
468.22430	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	468.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01867	2.9
55.05506	2.5
56.60006	1.0
57.03433	1.5
65.03962	1.2
67.05506	8.6
69.03428	4.0
69.07062	7.6
69.28115	4.6
69.28520	2.6
71.01344	3.8
71.04997	2.9
79.05511	5.9
80.05025	3.9
81.03418	2.4
81.07061	3.5
83.04987	6.4
85.02899	4.7
86.09721	2.2
89.03915	1.2
89.71952	1.2
91.05476	2.1
93.07047	1.3
93.29311	1.2
93.49347	1.1
94.06609	1.5
95.04970	14.8
95.08583	3.3
96.68017	1.3
97.02891	2.1
97.06535	32.0
98.03133	1.1
104.10742	2.2
107.08617	1.3
109.02914	2.9
109.10155	2.1
111.04431	1.3
111.08097	3.3
112.93350	1.2
115.03931	2.2
115.05466	2.3
115.07527	2.2
119.08607	1.4
120.66660	1.2
121.06473	1.4
121.10081	1.4
122.09650	2.5
123.04440	3.5
123.75880	1.6
127.03887	2.2
129.05473	2.5
131.08606	1.2
135.04388	2.7
138.09166	1.6
141.07002	3.7
143.08510	1.3
145.04985	2.1
145.06464	1.9
149.05963	2.3
150.09212	2.7
156.10208	1.7
157.04999	1.7
157.06522	1.5
157.08571	2.1
157.10136	1.7
157.12163	1.2
160.05229	7.6
161.05988	24.5
163.03906	45.7
167.08600	4.5
168.10252	2.5
169.06493	3.9
169.75084	1.1
171.08049	2.0
173.05991	5.3
175.03949	5.5
175.07536	2.7
184.07312	3.5
184.09750	2.6
185.09630	1.8
187.07520	2.5
189.01790	2.0
189.05499	2.1
189.09105	32.7
195.08029	6.2
197.05980	1.6
200.04657	1.7
201.09189	1.4
202.10741	5.2
203.10728	1.5
213.09128	9.7
215.07019	30.4
215.10556	1.9
217.08577	6.9
231.10164	9.1
236.16428	2.5
241.08493	2.6
249.11186	2.3
253.21768	1.6
259.09662	100.0
260.09958	2.7
277.10739	10.9
410.45270	1.2
436.22711	1.7
450.25098	5.4
451.15799	2.0
468.25616	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	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.01875	3.2
55.05523	3.8
57.03438	1.6
65.03938	1.1
67.05502	7.7
69.03433	4.0
69.07074	6.0
70.49001	1.2
71.01363	4.4
71.04989	1.5
72.23122	0.9
73.11768	0.9
79.05499	4.6
79.88262	0.7
81.03419	2.2
81.07056	1.8
82.10018	0.6
83.04984	5.0
85.02919	4.9
87.04469	1.5
91.05470	2.0
93.07029	1.4
95.04980	16.2
95.08640	0.9
97.02913	5.1
97.06534	23.8
98.03226	1.3
105.07030	2.1
106.65974	0.8
107.08598	2.5
109.02908	3.3
109.06511	1.2
109.10165	0.9
111.04452	3.7
111.08052	0.8
115.03956	2.9
115.05435	1.8
117.06997	1.4
119.08604	0.9
121.06551	1.4
121.10154	2.3
122.09637	0.9
123.04437	2.9
123.11732	1.4
125.05990	0.9
127.03905	3.9
128.06204	1.6
129.05487	1.1
129.07008	1.6
131.08577	2.5
133.06485	1.4
133.10080	1.3
135.04425	1.9
135.08081	0.9
136.11191	1.3
137.06015	1.5
138.09093	0.9
139.03900	2.2
141.07014	4.8
142.08714	0.8
143.04895	1.4
143.08546	2.9
145.02853	1.2
145.04976	1.7
146.06017	12.2
147.04425	2.5
147.08134	0.8
147.11769	0.8
149.05974	1.2
150.09145	1.0
153.09149	1.1
157.04985	1.9
157.06384	0.9
157.10135	1.8
157.12181	0.8
160.05214	8.5
161.02376	1.7
161.05989	28.5
161.07349	1.5
162.06345	0.7
162.12788	0.7
163.03917	36.7
165.05502	2.2
167.08542	4.3
168.10297	1.2
169.06493	3.1
171.08061	2.2
173.02264	1.9
173.06013	6.4
175.03929	4.1
175.07584	2.2
177.05516	1.9
181.06448	0.8
184.05185	1.3
185.05960	2.0
185.09624	2.6
187.07539	3.6
189.01807	1.1
189.05493	3.0
189.09117	37.3
192.06558	5.7
193.04996	1.4
195.08063	6.0
197.06003	1.6
198.06801	1.2
200.04666	1.8
201.09090	1.2
202.10745	0.8
203.07060	0.9
203.10764	1.5
205.08600	0.8
207.02858	1.4
209.04482	1.9
210.14955	2.0
212.04671	0.9
213.09134	8.9
215.07031	42.6
215.10612	2.3
216.07159	1.1
217.08611	9.8
226.06267	0.9
231.10153	6.9
233.08116	2.3
236.16527	6.2
241.08617	3.1
249.11269	2.6
259.09671	100.0
260.10010	3.3
271.88412	0.7
277.10715	16.3
308.18652	1.2
361.02191	1.1
433.15259	0.9
451.15915	1.2
468.23251	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	468.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01881	5.4
55.05517	2.0
55.90637	1.0
57.03434	9.3
59.05011	1.3
61.02934	4.4
67.05491	5.8
69.03433	30.7
69.03798	1.7
69.07081	1.8
69.64529	4.3
70.06606	3.5
71.04991	14.9
71.05355	1.4
73.02923	7.0
79.05512	3.2
80.05021	12.5
81.03418	26.6
81.07085	3.5
82.06614	1.7
83.05017	4.3
85.02903	62.3
85.06566	5.3
86.09700	2.5
87.04475	16.3
91.03977	4.2
91.05506	4.1
93.07084	4.5
94.06565	9.3
95.04484	1.2
95.04974	6.8
95.08650	3.3
96.08173	2.0
97.02900	17.4
97.06566	3.2
99.04457	15.8
101.02375	18.4
101.02994	1.5
103.03955	2.5
104.10780	5.6
105.07067	3.5
108.08144	1.8
109.02876	21.3
109.03537	1.5
111.08075	13.0
111.08694	1.1
113.06006	100.0
114.06351	1.7
115.03931	75.0
118.06576	2.2
119.08609	1.7
120.08064	1.4
121.02928	1.8
121.06542	2.3
122.09662	15.7
122.10419	1.3
124.11290	2.1
125.00041	2.3
127.03919	33.3
131.07043	43.4
133.04974	26.5
133.05931	1.9
133.10217	1.5
136.11285	1.9
138.09175	2.0
139.07526	7.9
139.11266	1.3
140.54437	1.2
141.05537	1.5
145.04955	32.9
145.06046	2.1
145.07628	2.6
146.06085	1.9
147.09181	6.1
150.09137	25.0
150.10222	1.6
152.10773	2.4
156.10304	2.2
157.08620	10.2
162.12808	1.9
163.06020	7.3
168.10193	13.5
169.06573	1.5
173.07127	5.7
174.05626	4.0
175.08539	2.9
175.09915	8.7
182.11818	2.9
183.06671	1.5
184.07387	9.8
184.09656	2.9
184.13396	1.4
191.08153	70.0
192.06578	2.1
197.06075	2.6
199.08749	1.5
200.12794	8.9
202.10741	8.0
210.14825	7.9
215.07036	5.7
234.15076	5.2
236.16463	18.9
236.18599	1.6
241.07028	1.5
251.13075	1.7
253.21744	2.6
259.08221	7.1
259.10220	4.6
262.18283	1.9
267.12369	1.5
271.10852	1.3
277.09143	24.1
289.11938	5.0
305.96445	1.3
307.12878	24.1
308.18643	3.7
322.20401	1.8
325.13947	23.3
331.13004	5.8
332.81467	1.3
340.21472	1.9
349.13846	6.1
362.19516	3.4
389.17142	3.0
397.14252	2.9
415.15155	8.7
415.19901	1.5
418.22260	2.1
433.16138	11.3
436.23453	4.8
450.24884	20.0
451.16992	8.8
457.74557	1.4
468.15457	3.1
468.26010	52.3
469.25806	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39745	1.3
53.03927	3.2
55.01867	4.5
55.05505	3.0
57.03451	6.1
60.08175	2.2
60.63803	1.2
61.02927	5.7
63.16090	1.2
67.05499	3.8
69.03432	29.3
69.03806	2.4
69.07066	4.3
69.48986	5.0
70.06583	4.1
71.04993	8.9
71.07365	1.1
73.02908	8.4
79.05483	4.1
81.03413	15.7
81.07048	3.9
83.04985	1.9
84.08181	1.5
84.55445	1.1
85.02905	77.3
85.06527	5.6
86.03214	1.2
86.09711	13.0
87.04470	23.9
91.03954	4.7
91.05483	2.2
93.07040	4.0
95.04984	7.2
95.08604	5.2
96.08110	1.8
97.02895	26.7
97.06557	5.7
98.22594	1.1
99.04460	6.2
101.02393	8.8
103.67318	1.0
104.10749	2.8
105.07039	1.9
107.04937	1.4
107.08622	2.0
109.02878	14.6
109.10153	2.5
110.09660	3.1
111.08085	23.1
113.06007	83.3
115.03932	100.0
121.10154	3.3
122.09705	1.4
123.08029	1.6
124.11221	2.9
125.00017	8.7
127.03925	37.6
127.04866	2.2
129.05530	1.6
131.07042	46.9
133.04967	37.9
135.11626	1.6
136.11172	1.8
137.05977	1.2
139.07523	9.8
139.11205	2.3
142.08679	3.0
145.04965	33.0
147.11751	1.3
150.09149	1.4
152.10655	1.4
157.05026	2.0
157.08623	4.4
157.10080	1.2
157.12225	4.2
163.03957	5.9
163.06033	8.8
164.07039	1.5
169.06506	1.7
175.06055	1.3
175.09679	10.5
180.13835	1.3
182.11813	2.1
183.06519	1.4
184.05670	2.1
184.07333	39.7
184.13406	1.6
187.07512	1.9
189.09097	2.1
191.14229	1.2
196.13333	2.0
197.05986	1.2
200.04765	1.3
208.17078	1.9
213.09293	1.5
215.06964	5.5
217.08687	1.4
217.12195	1.6
227.16235	1.5
234.14922	4.0
241.07040	2.4
253.14282	2.3
259.07864	6.1
259.09763	9.8
261.61975	1.3
271.22653	2.5
277.09082	31.5
308.18570	3.0
322.20166	4.2
323.47797	1.3
340.21243	3.5
362.19626	3.9
403.03360	1.6
436.23468	3.0
450.25031	17.8
468.11926	5.4
468.26205	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37102	0.8
55.05497	0.9
56.05031	0.8
57.03420	0.9
61.02977	0.7
66.27676	0.6
67.05497	2.6
68.32626	0.6
69.03429	16.2
69.83333	2.7
70.06559	0.7
70.70227	0.6
71.04991	4.3
79.05490	2.7
80.05014	3.2
81.03387	1.0
81.07047	2.4
83.01350	5.8
83.04972	1.4
84.08149	1.4
85.02908	7.2
85.06547	0.9
86.06067	1.4
87.04468	3.1
91.05467	1.4
93.07040	1.2
94.06550	2.2
95.04977	6.9
95.08603	3.2
96.08171	1.2
97.02882	2.2
97.06522	1.0
99.04457	2.9
101.05981	1.0
105.07029	2.2
108.08101	1.0
109.02853	1.5
109.06503	1.3
111.04482	1.2
111.08089	39.8
112.08413	1.2
115.03938	11.5
119.04916	0.8
120.08157	0.9
121.06495	1.6
122.09666	5.1
123.08057	5.5
124.07593	1.2
126.01026	1.4
127.03916	4.8
128.96513	0.8
133.04987	2.9
134.09657	2.1
136.11163	0.9
137.05984	3.1
138.09157	1.2
139.07535	3.0
141.09146	5.2
143.03392	2.5
144.02132	5.0
145.04958	2.3
147.24417	0.8
150.09126	6.3
151.07574	0.8
152.10724	2.3
153.05487	1.1
153.09039	0.8
154.12196	0.9
155.07053	3.3
157.04967	0.9
157.08691	1.1
159.08073	2.4
160.11203	1.1
161.09648	1.8
162.09143	1.6
162.12729	1.6
163.06046	1.0
165.09039	0.9
166.08675	1.2
167.07063	3.1
168.10222	8.9
169.08667	1.3
175.09692	1.2
177.09117	2.2
179.06979	1.0
179.10692	0.9
180.13800	4.5
182.11774	7.3
187.07539	1.2
188.08263	1.0
189.09161	1.8
190.12335	1.5
191.07111	1.1
191.10553	1.1
194.11772	0.8
197.08110	5.4
198.11256	3.2
205.08632	2.0
206.11731	0.8
208.13243	1.0
209.08133	1.8
219.10091	1.3
223.09746	2.6
233.08075	2.0
234.14902	2.3
236.16435	0.9
237.11209	1.8
247.09697	3.6
252.15939	2.0
265.10733	6.5
276.15942	0.8
277.09219	3.2
278.17529	0.9
283.11734	3.3
288.16068	1.0
296.18512	1.0
306.07480	0.9
306.16855	1.7
324.17972	2.6
420.20197	0.9
428.16330	1.0
432.20374	5.3
450.21255	100.0
451.21497	4.7
468.22226	89.3
469.22714	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	468.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01878	3.7
55.05507	4.2
55.97647	1.5
57.03429	4.1
67.05506	6.8
68.05016	2.6
69.03432	26.6
69.07068	2.6
70.06582	8.0
71.04998	12.9
73.02910	6.1
79.05498	5.6
80.05030	20.0
81.03413	8.6
81.07047	6.6
82.06587	3.9
83.04992	4.2
84.08154	1.5
85.02911	35.9
85.06533	3.3
87.04471	11.3
87.78354	1.3
91.03979	2.2
91.05478	4.1
93.07039	5.1
94.06565	7.7
95.04973	69.6
95.08603	5.9
95.48774	1.4
96.08137	7.6
97.02897	13.2
97.06521	3.9
97.08883	1.8
98.06059	4.0
99.04471	7.9
101.02371	8.2
101.06070	1.6
101.90798	1.4
105.07018	4.8
107.08591	3.6
108.08093	3.5
109.02874	8.5
109.06537	4.0
109.10149	2.0
110.09679	3.2
111.04459	4.1
111.08094	30.7
113.06007	40.8
113.32433	1.4
115.03936	50.9
119.08598	2.6
120.08068	5.0
121.06519	4.7
121.10110	2.7
122.09673	3.5
123.08087	1.9
124.07648	1.9
124.11247	1.7
126.09163	6.4
127.03921	23.5
129.05513	2.1
131.07047	19.7
131.08604	1.9
133.04970	18.4
133.06499	1.8
133.10129	2.5
134.09651	2.9
135.08110	2.0
136.07596	1.9
136.11217	2.9
138.09151	33.9
139.03911	4.6
139.07573	10.1
139.10008	1.2
139.11160	2.2
143.08556	1.6
145.04956	15.0
145.10150	2.4
146.09633	2.2
148.07579	19.7
150.09148	3.4
152.07094	2.0
152.10677	4.1
156.10202	56.7
157.08617	6.3
157.10565	1.9
159.08060	2.2
162.09149	2.7
163.06038	4.3
164.10681	3.2
165.09123	2.0
166.08624	10.3
168.10217	8.2
173.07164	3.0
175.09676	5.4
179.07172	1.8
180.13866	3.1
181.05019	2.1
182.11774	4.2
183.06454	2.2
184.09669	20.0
184.13263	2.5
190.12291	2.1
191.08151	36.4
192.13840	2.1
196.13205	2.3
208.13332	5.7
215.06993	5.1
220.13339	2.5
222.14908	4.1
234.14890	3.8
240.15900	2.2
250.18015	4.4
259.07669	2.4
259.09732	5.3
260.16367	4.0
267.12213	2.8
277.09076	11.6
278.17532	43.1
278.20596	2.8
288.15930	3.1
296.18674	2.7
304.15540	1.6
306.13364	7.0
306.16989	4.6
307.12848	21.7
308.18649	4.8
322.20090	5.4
324.18030	12.4
325.14014	5.1
340.21222	3.6
362.19693	4.8
376.17499	12.3
404.20609	5.9
432.20181	4.3
433.16623	1.7
436.23514	2.1
450.20877	100.0
451.21542	6.5
468.21173	13.6
468.25723	69.2
469.26514	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05521	0.5
57.27893	0.5
65.42818	0.6
67.05506	1.4
68.05042	0.6
68.87041	0.4
68.87443	0.5
69.03433	5.5
70.06597	1.6
70.59647	0.9
71.04997	4.1
79.05502	1.2
80.05018	1.9
81.03445	1.3
81.07093	1.2
82.06601	0.9
83.04993	0.6
84.08159	1.6
85.02902	4.4
87.04472	1.7
91.05489	0.9
93.07048	1.3
94.06593	1.3
95.04988	0.8
95.08607	2.0
96.08138	1.5
97.02911	1.6
98.09733	0.6
99.04429	0.7
105.07047	0.7
107.08587	0.9
108.08143	0.5
109.02911	0.8
109.06566	0.7
110.09723	1.3
111.08076	7.5
113.09579	0.6
115.03942	6.0
119.08614	0.9
120.08109	1.4
122.09660	4.0
123.08096	0.7
124.11270	0.9
127.03938	2.8
129.07036	0.6
133.04990	2.2
134.09653	2.7
136.11205	4.9
138.09123	0.6
139.07564	0.9
144.04738	0.5
145.04980	2.9
150.09164	3.2
152.10735	1.4
154.12325	0.8
155.07051	0.6
160.11267	0.5
162.12831	1.9
164.14378	6.1
167.07048	1.1
168.10214	2.6
170.11816	0.5
180.13921	0.7
182.11775	6.0
182.15425	1.9
190.12321	0.6
204.06534	0.6
208.13329	2.8
210.14861	0.6
220.13464	0.7
234.14900	3.8
236.16508	2.2
238.96191	0.5
243.21774	0.5
259.08124	1.1
260.16409	2.5
262.18030	1.1
266.83716	0.5
277.09259	1.7
278.17526	3.5
288.16129	0.8
288.71909	0.5
307.18430	0.6
308.18555	6.4
354.19254	0.9
388.21362	2.0
406.22571	1.4
432.20059	0.9
450.21228	7.9
468.22348	100.0
469.15704	0.6
469.22601	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	468.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
56.05035	0.3
61.02919	0.5
67.05515	0.6
68.05023	0.4
69.03436	2.4
69.61709	1.2
70.06586	1.8
71.04989	1.4
73.02915	0.5
79.05505	1.5
80.05019	1.4
81.03423	0.8
81.07066	0.8
83.01372	0.6
83.04984	0.5
84.08138	0.8
85.02914	2.0
85.06546	1.4
86.06039	0.5
87.04487	1.2
91.05508	0.8
93.07058	1.7
94.06566	1.3
95.04964	1.1
95.08602	0.6
96.08137	1.4
97.02884	1.0
97.06535	1.2
97.08929	0.4
99.04469	0.6
100.07615	0.5
101.06097	0.3
105.07047	1.0
107.04990	0.5
107.08600	0.5
108.08101	0.8
109.02874	0.5
109.06526	0.5
109.08939	0.3
110.09697	0.5
111.04465	0.4
111.08096	2.8
111.27297	0.3
115.03938	3.3
119.08591	0.3
120.08128	0.8
121.06532	1.1
121.10174	0.4
122.09650	2.8
123.08085	0.6
124.11176	0.3
124.72513	0.3
125.06024	0.5
126.09135	0.6
127.03905	1.6
127.07549	0.4
131.08594	0.4
132.08104	0.4
133.04948	1.5
134.09671	1.4
136.07599	0.6
136.11234	3.7
137.05977	0.3
137.11974	0.4
138.09134	0.5
139.07556	2.7
145.04990	1.1
148.11229	0.5
149.06105	0.3
149.09505	0.3
150.09149	2.4
150.12779	0.5
151.07610	0.4
152.10706	1.8
153.05412	0.4
154.12282	2.4
155.07068	0.4
156.10313	0.4
157.04996	0.9
157.08589	1.6
160.11246	0.4
162.12833	1.0
163.06056	0.4
164.10645	0.5
166.08649	0.3
166.12294	0.4
167.07050	0.4
168.10173	2.0
169.04964	0.5
175.09695	0.9
176.10812	0.4
178.12239	1.4
180.10112	0.4
180.13855	1.2
181.08563	0.4
182.11781	1.7
184.07353	0.5
184.09680	0.4
187.07539	0.4
188.14410	0.4
189.09138	0.3
190.12276	0.8
191.07175	0.3
197.07962	0.4
204.13963	0.4
205.08557	0.3
206.11807	0.4
208.13322	0.7
216.13957	0.5
219.10190	0.4
220.13365	0.3
224.13026	0.5
234.14864	2.0
236.16435	4.0
247.09637	0.5
250.14511	0.5
252.15993	3.0
262.14383	0.4
262.18146	0.5
265.10782	1.2
277.09299	1.3
278.17526	0.6
290.17538	0.6
306.17050	0.7
308.18646	1.5
324.96292	0.3
352.17444	0.6
358.51797	0.4
364.17249	0.3
374.19489	0.3
376.17700	0.4
392.20712	0.7
394.18686	1.1
432.20163	1.0
450.21243	5.5
468.22284	100.0
469.13263	2.0
469.22665	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	468.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49285	0.3
53.03943	0.4
55.01867	0.5
55.05503	0.6
56.05033	0.4
56.97487	0.4
57.03465	0.3
61.02925	0.6
67.05500	1.4
68.05029	0.4
69.03432	6.0
69.53774	1.6
70.06596	1.6
71.04998	1.9
79.05489	1.9
80.05025	3.2
81.03426	1.0
81.07056	1.5
82.06594	0.7
83.01349	1.3
83.04967	1.2
83.06096	0.4
84.08163	1.0
85.02898	2.2
85.06542	2.8
86.06065	1.7
87.04462	0.7
91.05484	0.9
93.07038	1.8
94.06593	2.0
95.04979	4.2
95.08604	1.1
96.08118	1.1
97.02877	1.0
97.06544	1.1
98.06071	0.9
99.04473	1.6
101.06003	0.5
105.07026	1.6
106.06528	0.5
107.08584	0.6
108.08164	0.6
109.02882	1.0
109.06525	1.1
110.07182	0.9
110.09679	0.6
111.04446	0.9
111.08084	11.5
112.07582	0.6
115.03938	3.3
119.08619	0.7
120.08092	1.3
121.06493	0.8
122.09673	3.9
123.08050	2.1
123.10465	0.5
125.06017	1.1
127.03910	1.7
127.07600	0.4
129.05443	0.7
129.40054	0.4
132.08086	0.7
133.04944	0.7
133.06514	0.4
133.10095	0.6
134.09676	1.2
135.08032	0.8
136.07523	0.6
136.11230	0.5
137.05940	0.8
137.12035	0.9
138.09189	2.0
139.03897	0.7
139.07538	1.9
140.10692	0.4
141.05499	0.5
141.09122	1.5
143.03400	0.8
143.08542	0.7
145.04938	1.0
145.10141	0.5
146.09621	0.7
147.08047	0.4
148.07571	0.6
150.09143	4.2
151.07570	0.7
152.10699	1.7
153.05421	0.5
155.03403	0.8
155.07039	0.7
156.10205	0.8
157.04997	2.1
157.08614	0.6
159.08072	1.2
160.11223	1.3
161.09660	0.6
162.09119	1.0
162.12863	0.7
164.10733	1.4
164.14345	0.4
165.09067	0.5
166.08687	1.0
167.07098	1.7
168.10217	3.8
169.08627	0.5
173.09836	0.4
176.10687	0.6
178.12294	2.9
179.07039	0.4
179.19424	0.5
180.13876	1.5
182.11778	3.0
184.09698	1.4
189.09219	0.5
190.12346	0.8
191.10768	0.4
197.08078	2.2
202.10794	0.6
203.10597	0.6
205.08620	0.9
206.11749	0.8
208.13403	0.5
209.08055	0.5
215.07059	0.6
219.10216	0.7
220.13376	0.5
221.11732	0.8
223.09630	0.7
232.13289	0.6
233.08163	0.7
234.14886	4.2
247.09502	2.0
250.14307	0.8
252.13475	0.8
252.15916	7.3
265.10675	2.2
270.17133	0.6
277.09073	0.9
278.17355	0.6
283.11740	1.0
294.16895	0.6
302.14029	0.6
306.17023	2.0
324.17932	0.8
352.17523	1.9
364.17300	0.8
376.17535	4.0
382.18552	0.7
404.20734	1.0
422.21716	1.1
432.20108	3.0
450.21240	31.5
451.21545	1.4
468.22305	100.0
469.13116	0.6
469.22690	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	468.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.7
61.02923	0.6
63.66236	0.4
66.61616	0.5
67.05493	1.4
68.99780	0.7
69.03416	1.5
69.11144	3.2
71.41390	0.4
77.03927	0.5
79.05499	2.4
80.15964	0.4
81.07067	0.9
83.01325	0.7
85.02899	1.5
91.05475	1.4
93.07014	0.5
95.04939	0.7
95.08612	3.8
97.02908	0.8
103.05463	1.3
105.07021	7.6
108.05765	0.6
109.06522	1.2
110.07127	0.8
121.06517	2.3
123.08078	7.0
133.06485	5.2
135.04422	1.5
135.08084	1.2
137.05969	3.1
139.07584	0.9
150.06758	27.9
151.07541	100.0
152.07883	1.9
153.09041	0.6
165.09116	29.1
166.09422	0.6
175.07573	1.5
217.08582	1.2
225.09076	1.2
236.16409	1.5
239.10480	0.6
257.11746	4.7
283.13229	1.4
289.14337	80.9
290.14798	2.8
313.14169	1.7
313.17438	0.6
347.42181	0.5
355.15433	3.5
379.15411	1.1
397.16345	1.1
468.30728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.6
54.36255	0.4
55.01814	1.3
55.05479	0.6
56.04972	2.6
64.52023	0.4
67.05437	4.0
68.04962	2.5
69.03361	4.6
69.06994	1.7
70.06519	3.3
71.04935	2.0
79.05425	1.8
80.05021	38.8
81.03371	0.9
81.06985	2.1
82.55032	0.5
83.04951	0.7
83.08604	0.5
85.02831	1.6
85.06490	0.8
86.09616	1.4
87.04398	0.9
88.06447	0.5
91.05427	1.2
93.06977	1.9
94.06510	1.3
95.04973	19.2
95.07287	0.7
95.08604	3.2
96.08139	3.4
97.02813	1.3
97.06534	3.7
97.08875	0.8
98.06002	1.9
99.04411	0.9
103.05427	0.9
104.10663	0.6
105.06986	0.7
108.08060	0.6
109.06468	0.5
109.10075	0.6
110.06009	1.3
110.09628	0.8
111.08078	11.6
111.11644	0.5
113.06010	8.4
114.65044	0.4
115.03957	2.6
119.08498	1.4
120.08104	8.1
121.06458	1.2
121.10085	0.7
122.09635	2.3
123.04424	5.1
123.08026	1.4
124.11179	1.2
125.05927	0.7
127.03933	2.3
129.05409	0.9
133.04959	1.5
134.09622	0.5
135.04361	0.5
136.11143	1.4
137.05923	0.6
138.09140	23.4
139.07465	1.5
139.11090	1.7
141.05461	5.9
143.08467	0.8
145.04927	0.8
148.07565	7.4
149.05995	0.6
150.09071	1.2
150.12712	0.6
152.10652	0.7
154.63951	0.5
156.10214	11.6
157.12173	1.7
157.13329	0.5
160.05251	0.7
161.05940	1.5
162.12706	1.3
163.03885	6.4
166.07280	0.7
166.08646	9.4
167.06967	1.1
167.08620	0.5
168.10240	1.2
169.06441	0.6
173.05969	1.4
175.03844	0.7
180.13831	0.7
182.11693	1.3
183.06471	1.2
184.07399	3.5
184.09697	29.6
184.13165	1.3
185.10065	0.7
187.07608	0.8
189.09126	3.2
195.08096	0.8
196.13272	0.7
198.14894	0.6
200.04697	0.9
202.10742	100.0
203.11082	2.3
207.10289	0.6
208.16954	0.9
210.14885	2.0
213.09106	0.8
215.07047	2.9
223.13120	0.5
231.10112	0.6
234.14894	1.4
236.16484	5.7
253.21709	1.1
259.09692	11.0
261.65485	0.5
267.12430	1.4
277.10812	1.4
290.17496	0.5
304.05344	0.5
305.51947	0.5
306.05869	0.5
308.18631	2.9
322.20248	1.8
340.21420	2.2
352.21683	0.5
362.19583	2.3
436.23581	1.0
450.25134	9.3
451.25635	0.5
468.12393	1.4
468.26245	37.2
469.26706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05510	0.4
56.05029	0.4
57.03422	0.2
67.05501	0.5
67.20395	0.3
69.03436	1.2
70.06604	2.2
70.68172	0.5
71.04991	2.0
73.23580	0.3
79.05489	0.7
80.05029	1.4
81.03437	0.3
81.07056	0.6
82.06580	0.5
84.08146	1.0
85.02911	0.3
85.06548	0.6
86.06051	0.5
91.05476	0.7
93.07038	1.0
94.06570	1.1
95.04967	0.7
95.08617	0.9
96.08149	1.3
97.06490	0.4
97.08904	0.6
98.06121	0.3
99.04454	0.4
100.07626	0.4
105.07026	0.8
107.08617	0.5
108.08111	0.7
109.06497	0.4
109.72144	0.2
110.09676	1.0
111.08074	1.2
112.07635	0.3
115.07571	0.3
116.54768	0.3
119.08553	0.3
120.08111	0.7
122.09674	2.1
123.08028	0.5
124.07563	0.4
124.11235	0.6
125.06019	0.5
126.09192	0.6
127.03971	0.6
129.06989	0.3
133.10075	0.3
134.09695	1.0
135.08035	0.5
136.11212	6.0
138.09119	0.3
138.12926	0.3
139.07521	0.5
142.08603	0.3
146.09660	0.5
149.09608	0.4
150.09145	1.9
152.10736	2.1
154.12251	3.8
157.04984	0.3
160.11250	0.5
162.12790	1.9
164.10764	0.3
166.12282	0.5
168.10193	1.7
178.12273	0.8
180.13780	1.6
182.11763	2.2
190.12329	0.3
205.08655	0.3
206.11794	0.4
208.13373	0.7
220.13297	0.3
232.13425	0.5
234.14851	1.9
236.12912	0.3
236.16438	5.4
247.09700	0.4
252.15970	1.3
278.17590	0.5
290.17529	1.1
296.18686	0.5
306.16934	0.5
308.18509	1.9
374.19809	0.4
392.20691	1.3
394.18646	1.4
406.22031	0.3
431.13647	0.3
450.20895	2.1
468.22238	100.0
469.22549	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	468.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01878	3.7
55.05507	4.2
55.97647	1.5
57.03429	4.1
67.05506	6.8
68.05016	2.6
69.03432	26.6
69.07068	2.6
70.06582	8.0
71.04998	12.9
73.02910	6.1
79.05498	5.6
80.05030	20.0
81.03413	8.6
81.07047	6.6
82.06587	3.9
83.04992	4.2
84.08154	1.5
85.02911	35.9
85.06533	3.3
87.04471	11.3
87.78354	1.3
91.03979	2.2
91.05478	4.1
93.07039	5.1
94.06565	7.7
95.04973	69.6
95.08603	5.9
95.48774	1.4
96.08137	7.6
97.02897	13.2
97.06521	3.9
97.08883	1.8
98.06059	4.0
99.04471	7.9
101.02371	8.2
101.06070	1.6
101.90798	1.4
105.07018	4.8
107.08591	3.6
108.08093	3.5
109.02874	8.5
109.06537	4.0
109.10149	2.0
110.09679	3.2
111.04459	4.1
111.08094	30.7
113.06007	40.8
113.32433	1.4
115.03936	50.9
119.08598	2.6
120.08068	5.0
121.06519	4.7
121.10110	2.7
122.09673	3.5
123.08087	1.9
124.07648	1.9
124.11247	1.7
126.09163	6.4
127.03921	23.5
129.05513	2.1
131.07047	19.7
131.08604	1.9
133.04970	18.4
133.06499	1.8
133.10129	2.5
134.09651	2.9
135.08110	2.0
136.07596	1.9
136.11217	2.9
138.09151	33.9
139.03911	4.6
139.07573	10.1
139.10008	1.2
139.11160	2.2
143.08556	1.6
145.04956	15.0
145.10150	2.4
146.09633	2.2
148.07579	19.7
150.09148	3.4
152.07094	2.0
152.10677	4.1
156.10202	56.7
157.08617	6.3
157.10565	1.9
159.08060	2.2
162.09149	2.7
163.06038	4.3
164.10681	3.2
165.09123	2.0
166.08624	10.3
168.10217	8.2
173.07164	3.0
175.09676	5.4
179.07172	1.8
180.13866	3.1
181.05019	2.1
182.11774	4.2
183.06454	2.2
184.09669	20.0
184.13263	2.5
190.12291	2.1
191.08151	36.4
192.13840	2.1
196.13205	2.3
208.13332	5.7
215.06993	5.1
220.13339	2.5
222.14908	4.1
234.14890	3.8
240.15900	2.2
250.18015	4.4
259.07669	2.4
259.09732	5.3
260.16367	4.0
267.12213	2.8
277.09076	11.6
278.17532	43.1
278.20596	2.8
288.15930	3.1
296.18674	2.7
304.15540	1.6
306.13364	7.0
306.16989	4.6
307.12848	21.7
308.18649	4.8
322.20090	5.4
324.18030	12.4
325.14014	5.1
340.21222	3.6
362.19693	4.8
376.17499	12.3
404.20609	5.9
432.20181	4.3
433.16623	1.7
436.23514	2.1
450.20877	100.0
451.21542	6.5
468.21173	13.6
468.25723	69.2
469.26514	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.3
67.05507	10.1
69.03436	14.1
69.07083	7.7
69.36167	6.2
69.36551	14.2
70.06604	7.4
71.04988	8.3
73.19365	3.0
78.37859	3.2
79.05502	19.6
80.05034	17.2
81.03413	6.4
81.07068	21.1
82.45263	3.0
82.75050	2.9
83.04983	9.2
84.08101	4.3
85.02905	10.7
85.06535	5.9
86.03274	2.7
91.05490	12.5
93.07050	31.6
94.06569	7.7
95.04978	16.9
95.08614	31.0
96.08150	4.5
97.02901	3.8
97.06535	19.6
97.08921	4.6
98.06126	3.3
99.04445	13.9
104.10764	3.5
105.07037	14.0
107.08596	16.1
109.06557	17.5
109.10151	5.8
111.08089	22.5
115.03931	8.9
118.99200	3.2
119.08573	9.6
120.08967	4.1
121.06505	43.1
121.10174	6.9
122.09668	16.0
123.04488	4.0
123.08109	7.5
123.11744	5.2
124.11211	5.8
125.06001	10.2
127.07558	4.5
129.06989	4.2
131.08588	5.8
133.10138	11.9
135.08110	5.5
138.09154	5.7
139.07541	9.2
143.07047	5.3
145.04967	4.4
145.10176	4.1
147.08029	4.0
147.11656	24.7
150.09122	15.8
157.08630	11.0
157.10089	6.8
161.05907	4.0
161.13193	5.0
162.12799	13.4
163.03938	6.3
165.12726	9.4
166.08711	4.1
168.10205	16.1
169.06494	8.0
169.12265	9.4
171.11726	6.3
175.11234	14.9
184.07323	10.6
184.09618	5.3
187.07649	4.0
189.12732	16.6
191.08156	4.2
192.13953	4.1
193.12270	13.7
197.06024	4.2
199.11208	13.7
200.04689	6.2
202.10732	16.9
207.13788	7.6
210.14891	37.8
211.13376	9.2
215.07007	22.8
217.12244	49.7
229.14357	9.5
234.14989	6.4
235.13312	63.8
236.05618	3.3
236.16444	100.0
237.16968	5.0
253.14359	83.0
254.14578	5.7
259.09695	39.4
271.15363	18.4
289.01395	4.1
289.04791	3.3
289.16422	23.3
308.18518	11.3
309.19345	4.9
450.24512	10.1
468.25317	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	468.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05519	3.0
56.05035	2.1
59.08263	1.1
67.05508	6.8
68.05048	2.3
69.03452	4.3
69.07091	1.4
69.56694	5.2
70.06595	7.6
71.05000	6.3
79.05478	7.6
80.05018	36.3
80.47904	1.1
81.03434	1.5
81.07054	7.2
82.06622	4.2
83.05005	2.5
83.07381	1.4
84.08184	3.6
85.02937	4.0
85.06577	1.2
85.86317	1.2
87.04519	1.2
91.05512	5.4
93.07037	6.8
94.06568	30.7
95.05001	5.1
95.08652	4.2
96.08135	7.0
97.06554	3.6
98.23521	1.2
99.04463	1.3
100.07646	2.5
105.07013	8.0
107.08620	3.2
108.08165	1.7
109.06569	1.7
109.10265	1.2
110.09740	4.1
111.04510	1.9
111.08070	9.4
119.08626	3.5
120.08160	3.4
121.06494	1.5
121.10212	1.3
122.09666	57.6
123.08119	2.9
124.07637	2.2
124.11276	3.6
125.06016	3.3
125.09791	1.6
127.03973	2.8
128.07164	4.0
128.99231	1.3
131.08620	2.2
132.08118	2.5
133.10176	1.2
134.09731	3.6
135.08095	2.4
136.11255	2.7
138.09189	2.4
138.12769	1.3
139.07602	2.3
141.48186	1.2
145.03952	1.2
145.05028	2.3
145.10179	2.1
146.05972	13.0
147.11752	3.3
148.07607	1.4
148.11247	2.7
150.09143	94.4
151.09578	2.0
152.10805	5.4
154.12349	3.0
155.03474	1.6
156.10255	1.5
158.09731	1.1
160.11272	2.4
162.09201	1.9
162.12758	8.4
163.04065	2.7
163.43669	1.3
164.14438	1.6
167.07101	2.0
168.10205	51.9
169.10703	1.2
170.11813	3.3
171.11806	1.8
182.08252	2.3
182.11769	12.6
183.06618	2.5
184.09708	1.6
184.13412	2.2
189.12851	1.4
190.12424	1.3
190.16164	1.3
192.06537	6.5
192.13893	2.2
195.16173	1.2
197.05943	1.4
200.10966	2.8
200.12828	31.9
200.14542	2.4
202.10701	8.3
208.13469	1.5
210.14888	28.1
215.07124	3.6
217.12392	1.5
232.13571	2.2
234.14885	19.1
235.13387	3.2
236.16446	72.4
237.16887	3.2
251.12772	6.0
253.14557	3.3
259.09769	3.1
262.18130	4.1
264.19632	2.4
266.14023	1.4
271.15417	10.9
277.10880	2.9
289.16052	1.2
290.17499	1.9
298.10751	1.5
308.18573	13.5
309.19354	3.2
313.62997	1.2
322.20239	1.9
324.12033	1.2
326.95624	1.2
328.52658	1.3
344.18661	2.6
346.23749	1.5
362.19724	2.4
418.22348	6.4
432.24173	3.9
436.23337	12.8
439.18976	2.4
450.24994	51.4
451.25574	2.5
468.26193	100.0
469.20685	6.3
469.26675	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	468.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05519	3.0
56.05035	2.1
59.08263	1.1
67.05508	6.8
68.05048	2.3
69.03452	4.3
69.07091	1.4
69.56694	5.2
70.06595	7.6
71.05000	6.3
79.05478	7.6
80.05018	36.3
80.47904	1.1
81.03434	1.5
81.07054	7.2
82.06622	4.2
83.05005	2.5
83.07381	1.4
84.08184	3.6
85.02937	4.0
85.06577	1.2
85.86317	1.2
87.04519	1.2
91.05512	5.4
93.07037	6.8
94.06568	30.7
95.05001	5.1
95.08652	4.2
96.08135	7.0
97.06554	3.6
98.23521	1.2
99.04463	1.3
100.07646	2.5
105.07013	8.0
107.08620	3.2
108.08165	1.7
109.06569	1.7
109.10265	1.2
110.09740	4.1
111.04510	1.9
111.08070	9.4
119.08626	3.5
120.08160	3.4
121.06494	1.5
121.10212	1.3
122.09666	57.6
123.08119	2.9
124.07637	2.2
124.11276	3.6
125.06016	3.3
125.09791	1.6
127.03973	2.8
128.07164	4.0
128.99231	1.3
131.08620	2.2
132.08118	2.5
133.10176	1.2
134.09731	3.6
135.08095	2.4
136.11255	2.7
138.09189	2.4
138.12769	1.3
139.07602	2.3
141.48186	1.2
145.03952	1.2
145.05028	2.3
145.10179	2.1
146.05972	13.0
147.11752	3.3
148.07607	1.4
148.11247	2.7
150.09143	94.4
151.09578	2.0
152.10805	5.4
154.12349	3.0
155.03474	1.6
156.10255	1.5
158.09731	1.1
160.11272	2.4
162.09201	1.9
162.12758	8.4
163.04065	2.7
163.43669	1.3
164.14438	1.6
167.07101	2.0
168.10205	51.9
169.10703	1.2
170.11813	3.3
171.11806	1.8
182.08252	2.3
182.11769	12.6
183.06618	2.5
184.09708	1.6
184.13412	2.2
189.12851	1.4
190.12424	1.3
190.16164	1.3
192.06537	6.5
192.13893	2.2
195.16173	1.2
197.05943	1.4
200.10966	2.8
200.12828	31.9
200.14542	2.4
202.10701	8.3
208.13469	1.5
210.14888	28.1
215.07124	3.6
217.12392	1.5
232.13571	2.2
234.14885	19.1
235.13387	3.2
236.16446	72.4
237.16887	3.2
251.12772	6.0
253.14557	3.3
259.09769	3.1
262.18130	4.1
264.19632	2.4
266.14023	1.4
271.15417	10.9
277.10880	2.9
289.16052	1.2
290.17499	1.9
298.10751	1.5
308.18573	13.5
309.19354	3.2
313.62997	1.2
322.20239	1.9
324.12033	1.2
326.95624	1.2
328.52658	1.3
344.18661	2.6
346.23749	1.5
362.19724	2.4
418.22348	6.4
432.24173	3.9
436.23337	12.8
439.18976	2.4
450.24994	51.4
451.25574	2.5
468.26193	100.0
469.20685	6.3
469.26675	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	468.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13193	0.3
55.01876	0.6
55.05517	0.7
59.04996	0.4
67.05502	1.2
68.05026	0.5
69.03429	5.9
70.06590	5.8
70.59570	0.3
70.59911	0.3
71.04994	1.3
78.59715	0.3
79.05501	0.9
80.05034	0.7
81.07056	1.2
82.06577	1.0
83.05006	0.3
84.08148	1.4
85.06554	0.6
91.05482	1.2
93.07048	1.7
94.06564	1.5
95.04980	0.6
95.07365	0.4
95.08588	1.8
96.08116	3.2
97.02898	0.5
97.06525	1.0
97.08913	1.4
98.09736	0.3
98.23418	0.3
99.04469	0.7
101.06010	0.4
105.07043	0.9
107.08595	0.8
108.08103	1.2
109.08891	0.6
109.10175	0.4
110.09662	1.9
111.08078	32.9
112.08420	0.5
113.09651	0.6
119.08578	1.0
120.08107	0.5
121.08849	0.3
121.10201	0.4
122.09663	3.0
123.08062	0.5
124.11223	3.1
124.12010	0.4
125.06016	1.1
125.09622	0.3
125.11980	0.3
127.03900	2.1
129.05481	2.3
134.09692	1.3
135.10454	0.5
136.11198	2.7
137.11946	0.3
138.09134	0.4
138.12793	0.6
139.07539	3.7
140.08299	1.6
146.09570	0.3
147.11679	0.4
148.11278	0.4
150.09142	1.2
150.12813	1.0
152.10718	2.8
154.12239	0.4
155.07004	0.4
160.11203	0.4
161.09630	0.3
162.09082	0.6
162.12743	1.6
163.11235	0.4
164.10687	0.5
164.14308	1.5
166.12309	1.3
167.07059	1.1
168.10216	0.6
174.12782	0.3
178.15909	1.1
180.13818	3.1
182.11765	2.4
182.15428	0.7
183.06538	1.8
184.13339	2.6
188.14445	0.4
190.15901	1.1
194.15511	0.5
195.16179	1.2
196.13345	1.9
198.14944	1.1
202.12285	0.5
206.15430	0.7
207.10223	0.9
208.13451	0.4
208.16978	2.5
210.14972	0.5
214.14413	0.6
216.13969	0.4
220.13245	0.3
224.16478	0.5
233.67479	0.3
234.14867	5.1
235.09717	0.5
236.16531	0.6
244.16951	0.5
248.16499	0.5
249.11194	0.6
250.18021	1.5
251.12836	0.3
262.18011	0.9
266.17758	0.4
267.12204	2.2
272.16553	0.4
278.13766	0.5
278.21271	0.4
280.19077	0.7
290.17685	0.7
294.20657	0.8
308.18576	4.6
322.20099	7.9
336.18027	0.8
340.21188	5.8
352.21249	1.2
362.19580	6.0
363.19962	0.3
400.20892	0.3
418.22128	1.3
432.24115	0.8
435.43799	0.3
436.23361	4.5
437.23462	0.4
450.24881	24.6
451.25226	1.6
468.25931	100.0
469.26294	7.9
469.33105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.67993	0.2
55.01867	1.0
55.05512	1.1
56.05016	0.5
56.96560	0.3
57.03414	0.3
58.06596	0.4
59.04995	0.3
67.05197	0.2
67.05505	2.2
68.05031	0.6
69.03067	0.4
69.03432	6.9
69.07060	0.6
69.37474	0.7
69.37883	0.5
70.06593	6.9
71.04990	2.7
73.06548	0.2
79.05488	1.8
80.05034	1.5
81.03399	0.5
81.07049	2.1
82.06591	1.1
83.04977	0.5
83.07358	0.7
83.08616	0.5
84.08141	2.2
85.02924	0.3
85.06522	0.8
86.06053	0.4
87.04462	0.4
91.05457	1.2
93.07047	2.4
94.06575	2.2
94.07130	0.3
95.04960	0.9
95.08608	2.8
96.08125	4.4
97.02887	0.6
97.06527	1.4
97.08929	1.8
98.06055	0.3
98.09693	0.4
98.97575	0.3
99.04470	1.4
99.06780	0.2
101.06009	0.4
105.07029	1.5
106.06558	0.4
107.08604	1.7
108.08140	1.4
109.02907	0.2
109.06505	0.4
109.08895	0.6
109.10160	1.1
110.09684	3.0
111.04462	0.3
111.08076	31.5
111.10464	0.5
112.07641	0.4
112.08408	0.6
113.09636	0.6
115.03915	0.3
119.08593	1.1
120.08112	0.9
121.06499	0.5
121.08861	0.5
121.10151	0.8
122.09669	4.2
123.08070	0.8
123.10426	0.6
123.11717	0.2
124.07610	0.5
124.11243	3.2
125.05978	1.5
125.09651	0.3
125.12073	0.3
126.09148	0.3
126.41698	0.2
127.03915	2.5
128.07072	0.3
129.05476	1.9
129.07011	0.2
131.08571	0.5
132.08109	0.3
133.10115	0.4
134.09651	1.5
135.04323	0.3
135.08063	0.6
135.11678	0.5
136.07545	0.3
136.11208	3.2
137.05956	0.5
137.09610	0.4
137.11969	0.4
138.12785	1.1
139.07533	3.6
139.09923	0.2
139.11110	0.3
140.07307	0.2
140.08311	1.6
140.10741	0.3
141.05489	0.2
145.06059	0.3
145.10086	0.3
146.09641	0.8
147.11659	0.9
148.11185	1.4
149.12035	0.4
149.13187	0.3
150.09134	3.6
150.12750	0.7
151.03920	0.3
151.07573	0.5
152.10715	2.4
152.70975	0.2
153.09061	0.3
154.12343	0.4
155.07027	0.5
159.11595	0.3
160.11223	0.7
161.11945	0.3
162.09152	0.4
162.12767	4.6
163.03925	1.5
163.11137	0.5
163.13348	0.3
164.10715	0.7
164.14337	2.1
165.05554	0.4
165.09077	0.5
166.08505	0.2
166.12274	1.1
166.15854	0.4
167.07072	1.0
167.09428	0.3
168.10199	5.0
169.08629	0.3
169.10498	0.3
170.11806	1.2
174.12808	0.5
175.11133	0.4
176.10780	0.4
176.14342	0.5
178.12315	0.5
178.15950	0.8
180.10168	0.4
180.13831	2.8
182.11774	2.6
182.15385	0.6
183.06520	2.4
183.11987	0.2
184.13335	3.0
188.14317	0.3
189.09091	0.3
190.12294	0.4
190.15877	1.2
191.08174	3.3
192.13811	1.1
192.17470	0.5
194.11763	0.4
194.15320	0.3
195.16136	1.4
196.13364	2.2
198.14825	1.2
202.12270	0.6
204.13860	0.2
205.12195	0.3
206.15424	0.7
207.10167	1.3
208.13347	1.0
208.16936	2.6
210.14880	10.4
211.15263	0.5
214.14417	0.5
216.13850	0.6
220.13409	0.6
222.14789	0.5
224.16420	0.5
233.73703	0.2
234.14891	5.3
235.09767	0.4
235.15282	0.5
236.16443	27.9
237.16801	1.6
244.17041	0.5
248.16473	0.3
249.11053	0.3
250.18039	1.8
253.21671	0.7
254.15327	0.3
262.18042	0.8
264.16013	0.3
264.19565	0.6
266.13800	0.6
266.17664	0.4
267.12289	2.5
271.22653	0.5
272.16483	0.5
278.13992	0.4
278.21115	1.1
280.19116	0.7
287.12872	0.2
288.13147	0.3
290.17532	0.7
294.17520	0.2
294.20712	0.8
306.16986	0.4
307.12881	2.4
307.24539	0.2
308.18549	7.7
309.19119	1.4
319.12506	0.2
320.18723	0.4
322.20099	6.4
323.20377	0.5
325.13922	0.6
336.18118	0.8
338.19620	0.2
340.21149	4.6
344.18640	0.5
348.17996	0.3
352.21295	0.6
362.19604	5.5
363.19955	0.5
380.20483	0.3
390.23108	0.3
399.16556	0.2
400.21469	0.4
418.22229	2.7
419.22610	1.4
420.22717	0.3
432.24142	1.0
436.23322	4.6
437.23911	0.4
450.24890	23.3
451.08179	0.3
451.25293	2.1
468.26004	100.0
469.26343	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	468.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	1.2
55.05458	2.5
67.05446	1.0
69.03423	3.8
69.25059	0.7
70.06530	1.9
79.05469	1.2
81.07058	3.7
83.08574	0.9
84.08142	12.9
84.08601	0.7
91.05430	1.6
95.04913	0.8
95.08589	1.1
96.08130	3.4
97.02860	1.1
97.08857	1.9
100.11237	4.8
105.06986	1.4
107.08530	2.2
109.06448	2.0
110.07152	0.8
110.09631	0.9
111.04385	0.8
111.08073	4.2
120.08060	1.2
121.06454	2.6
122.09566	0.8
123.07970	1.8
124.08871	4.6
128.06937	1.1
134.09624	1.7
135.08008	1.7
136.11211	1.0
137.05975	15.6
147.11555	0.8
162.12714	1.0
164.14340	2.0
165.09111	0.9
168.10176	1.1
170.11659	0.8
174.12756	3.4
182.15341	2.1
192.13846	1.4
193.14882	0.7
210.14873	4.3
219.10094	2.9
221.11734	7.9
236.16440	7.7
290.17502	100.0
291.17780	3.1
294.83804	0.7
308.18668	0.8
352.17361	0.8
366.08936	0.8
405.60947	0.7
467.86002	1.2
467.92960	0.7
468.15601	3.6
468.22461	2.2
468.27628	29.5
468.35632	1.4
468.36807	1.3
469.27811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.5
56.57545	0.2
57.03443	0.3
57.07051	1.0
58.06622	0.3
60.07872	0.4
60.08162	6.2
67.05491	0.4
69.07042	0.5
69.61483	0.3
69.61882	0.6
71.07372	2.6
71.08614	0.6
75.05505	0.2
81.07036	0.4
83.08607	0.2
85.10176	0.3
86.09702	26.6
95.08611	0.4
98.22712	0.3
98.98469	2.0
101.43169	0.2
104.10744	2.8
125.00001	18.5
134.30087	0.2
137.03384	0.2
184.07333	100.0
185.07658	0.9
214.87842	0.2
231.83304	0.3
285.24081	0.3
417.43332	0.2
450.29724	0.9
468.23068	1.2
468.30927	2.9
477.01773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3089
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
57.03411	0.7
57.07085	3.7
57.63383	0.7
58.06587	1.3
60.08169	15.2
67.05486	1.9
69.07054	1.1
70.06602	0.9
71.07371	5.1
71.08611	2.7
71.43999	1.2
74.06102	0.7
81.07053	2.2
85.10178	1.4
86.09704	45.5
95.04964	0.9
95.08597	2.5
98.98475	3.1
104.10741	100.0
105.07050	0.7
105.11062	1.6
107.08623	0.8
109.10179	1.0
125.00004	27.7
163.01514	1.1
184.07341	98.2
185.07681	1.6
229.82327	0.7
258.11124	0.9
285.24210	2.2
450.29810	9.1
468.30902	36.1
468.37796	1.8
469.30875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.03439	6.5
57.07074	5.4
57.53572	1.4
60.75632	1.3
67.05505	11.7
67.11962	1.2
69.07076	17.2
71.08642	3.1
71.28483	1.2
79.05506	3.3
81.07061	11.2
81.78326	1.3
83.08624	11.5
85.10199	2.0
89.06029	4.2
93.07043	4.7
95.08602	11.4
97.06516	1.6
97.10171	6.6
101.27425	1.2
107.08576	3.4
108.94262	1.3
109.10143	4.5
109.28232	1.4
111.11710	2.8
113.00008	21.1
121.10113	7.9
133.08548	2.4
135.11699	3.9
169.02597	19.8
187.03613	1.5
203.05875	1.5
265.25290	1.9
283.17593	2.5
333.10486	1.6
339.28943	100.0
340.29294	4.0
434.40686	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75383	0.9
55.05509	12.2
56.69061	0.8
57.03430	5.3
57.07084	4.9
67.05504	7.6
69.07065	15.0
70.74636	1.7
71.04976	1.2
71.08620	3.3
79.05487	2.9
81.07056	9.7
83.08620	11.1
85.06567	1.2
85.10175	1.1
87.13099	1.1
89.06028	2.3
93.07037	5.5
95.08607	8.9
97.06564	1.6
97.10175	6.0
107.08582	4.2
109.10162	2.9
111.11723	1.9
113.00008	16.7
121.10154	3.4
133.08588	1.8
135.11711	3.0
141.51588	1.1
149.13272	2.9
169.02609	22.5
187.03705	1.3
200.50577	1.2
206.77475	1.0
265.25232	2.2
283.17581	1.7
339.28928	100.0
340.29385	3.4
392.06210	1.2
433.26831	1.5
468.21631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.8742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05621	0.3
63.86568	0.3
70.31588	0.8
94.93015	100.0
96.92805	0.4
98.22713	0.4
104.36795	0.4
153.37906	0.4
160.94009	0.4
161.94809	0.5
162.95602	0.4
184.88037	0.5
190.95094	1.5
216.90746	0.4
218.59337	0.4
218.92236	1.7
231.98825	0.8
234.94055	1.0
235.05650	0.7
244.90192	1.9
246.91768	5.1
251.02995	0.5
255.03760	0.3
272.89639	96.5
273.90015	1.6
292.90451	0.5
336.90646	0.7
354.91464	1.2
380.89203	0.9
445.59735	0.4
468.22614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01867	0.7
56.11617	0.5
59.90502	0.4
69.03418	2.0
70.26008	0.4
79.05478	0.6
81.03409	1.4
85.02904	4.3
85.06547	0.5
87.00814	1.7
91.05450	0.8
96.08161	0.6
97.02896	1.0
99.04469	0.6
105.01817	1.3
107.04959	4.7
109.02844	1.3
111.08116	0.7
119.04913	3.5
121.06480	2.6
122.09668	0.5
127.03922	2.7
136.11195	1.9
145.06476	1.9
149.05975	28.5
159.02834	1.0
159.08057	2.7
161.05969	4.1
161.09621	4.9
162.03603	0.5
175.11171	1.6
203.10669	6.2
210.14870	0.8
211.15207	1.6
221.11720	100.0
222.12091	4.0
231.04974	0.6
236.16449	2.6
237.16685	3.3
469.22870	0.8
470.25500	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	469.1709
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
55.01874	0.8
69.03422	2.0
69.40989	2.2
81.03421	1.2
85.02908	4.3
87.00832	1.5
91.05484	1.6
93.07033	0.7
95.05026	0.4
97.02888	1.5
99.04466	0.7
105.01865	1.6
107.04962	4.8
109.02870	1.4
111.08103	0.5
119.04931	3.6
121.06511	2.0
127.03899	2.4
133.06479	0.7
136.11188	1.3
145.04973	1.0
145.06497	2.3
149.05983	26.3
150.06242	0.8
159.08080	2.4
161.05981	4.1
161.09624	5.9
162.12737	0.6
168.10197	0.7
175.11180	1.9
179.10765	0.6
203.10693	5.7
205.11093	0.5
210.14896	1.1
211.15245	1.2
221.11731	100.0
222.12076	3.0
224.49396	0.5
224.84341	0.5
236.16402	2.9
237.16817	4.0
294.53891	0.5
308.32828	0.6
309.18872	1.0
359.58444	0.5
469.23395	1.0
470.25427	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	469.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01878	1.7
55.05500	1.4
57.03434	1.8
59.04996	0.7
60.84625	0.3
61.02926	0.4
62.44138	0.3
67.05500	0.7
69.03432	11.1
69.50912	1.2
69.51249	0.3
70.06601	0.3
70.74314	0.3
71.01347	0.7
71.04632	0.4
71.04993	6.0
73.02907	0.5
81.03419	26.1
81.07052	1.1
83.04979	3.9
84.08137	0.4
85.02921	1.6
89.44709	0.3
91.05489	0.6
95.08585	0.5
98.09691	0.6
99.04456	11.0
100.11233	0.6
103.03943	2.1
109.02882	10.4
109.10106	0.4
111.04459	0.4
111.08060	0.5
117.05495	2.6
118.06544	2.7
120.08064	0.4
122.09663	0.5
127.03914	2.1
145.07596	4.5
147.08032	0.6
147.09166	8.8
148.09489	0.4
150.09178	0.3
162.07904	0.8
162.12877	0.4
163.08699	0.8
163.13177	0.5
168.10214	0.5
169.10396	0.3
170.11731	0.4
173.07108	8.7
174.07382	0.4
175.08676	10.6
176.09128	0.5
182.15405	1.1
190.07388	0.5
191.08151	100.0
192.08488	3.5
198.14891	0.6
199.08691	0.9
201.10391	0.3
203.08130	0.8
204.08963	1.2
205.09718	0.6
210.14909	2.0
211.15250	1.3
213.10190	0.5
215.11676	0.5
226.14322	0.7
231.11307	1.3
233.09201	1.2
236.16446	2.7
237.16782	4.1
243.11444	0.9
253.21562	0.7
271.10779	2.4
289.11829	7.4
307.12875	34.4
308.13364	1.8
308.18552	0.4
309.19147	0.6
310.19418	0.3
325.13940	34.9
326.14206	1.4
331.12872	8.0
332.13358	0.7
337.21149	0.4
349.13943	8.1
350.14505	0.4
354.23889	0.5
371.15927	1.3
389.17114	4.4
391.14792	0.5
397.13947	4.9
398.14203	0.3
407.18033	0.8
415.14990	12.7
416.15079	0.8
433.16092	13.1
434.16318	0.7
451.17126	12.3
452.17273	0.9
452.31357	0.5
469.25562	2.0
469.33234	0.7
470.16797	0.4
470.24210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
53.03941	0.5
55.00757	0.2
65.03942	3.0
69.03434	0.3
69.83773	0.5
69.84121	0.5
75.91883	0.2
77.03937	0.7
79.05493	7.5
79.43552	0.2
83.01347	2.0
91.05479	63.8
92.05812	0.7
94.53216	0.2
95.04967	2.6
96.43040	0.2
103.00584	0.3
103.05460	6.4
103.06111	0.5
103.98943	0.3
105.04594	1.4
105.07028	100.0
106.07384	1.7
107.04889	0.4
115.05458	0.6
117.07017	2.7
121.06512	0.6
128.06223	0.8
129.06999	3.5
131.08572	0.6
137.05942	1.2
141.06995	1.0
145.06483	0.4
147.08026	0.7
149.06006	0.5
151.07533	0.7
152.06218	1.2
153.06958	0.3
155.04919	1.2
155.06029	0.5
155.08521	0.3
157.06488	7.3
161.06007	0.6
165.06998	1.7
166.07741	0.6
167.08554	7.1
169.10210	0.4
171.08046	0.4
178.07800	0.3
179.08556	1.1
181.10144	0.6
182.07350	0.3
185.06030	0.6
185.09575	0.3
189.05481	0.3
193.10165	0.4
195.08054	5.1
197.09634	0.8
199.07524	0.5
201.05394	0.3
207.08022	0.3
209.09612	0.3
209.13297	0.9
210.06728	0.3
211.07524	0.5
213.09048	2.1
217.08630	0.6
221.09584	0.4
223.07533	9.3
224.08310	0.7
225.09119	2.1
227.07106	1.4
227.10619	1.2
228.07761	0.6
229.12245	1.7
237.09077	1.3
239.10695	0.5
241.08572	4.2
242.09167	0.6
243.06419	0.5
245.08086	1.1
251.07037	0.4
253.08763	0.3
255.06531	0.8
255.10130	0.8
256.07227	0.5
257.08200	0.5
258.08823	0.4
259.09543	0.4
261.09320	0.4
265.08554	1.0
267.10135	0.4
269.08105	3.8
271.09680	0.3
272.06622	0.3
273.07553	11.7
274.08255	0.6
277.12195	0.3
281.08307	0.4
283.09613	0.7
286.08475	0.8
287.09106	3.0
289.12350	0.3
295.13321	0.9
299.09186	0.8
303.13562	0.3
314.12860	0.5
317.11758	0.6
319.13345	0.4
329.11752	0.5
330.12308	0.3
331.13297	0.5
332.13907	0.4
335.12573	0.4
335.18936	0.7
341.11630	0.4
345.11163	0.8
345.14801	0.4
346.12039	1.3
347.12790	3.9
349.19913	0.5
351.15964	0.4
359.12802	4.2
360.13452	2.1
363.12253	0.6
364.12970	2.4
365.13712	1.8
371.16312	0.4
373.14447	1.2
377.13931	2.2
378.14575	1.2
385.17874	0.4
391.15454	0.8
395.16357	0.8
423.19565	1.5
433.17914	1.6
441.20706	0.6
451.19025	14.8
452.19446	1.2
469.20099	16.9
470.20419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47682	1.9
55.05509	8.2
55.15950	2.4
55.48182	1.8
55.57652	2.0
57.03443	5.5
67.05509	31.5
69.07072	6.0
69.12740	13.2
71.04993	2.4
79.05493	16.7
81.07057	28.5
83.08618	2.7
91.05482	6.5
91.08741	2.1
93.07047	16.0
95.08611	21.1
97.10141	2.4
98.23451	3.6
105.07034	4.2
107.08609	7.6
109.10174	8.3
111.08119	2.3
113.84337	1.9
119.08566	2.3
121.10165	3.8
133.10136	2.2
134.98184	100.0
135.11757	2.7
155.83389	2.2
186.53148	2.0
221.04082	1.9
222.19608	2.0
223.52089	1.9
227.01671	3.5
254.39626	2.2
263.00641	2.2
335.25763	31.5
336.26126	2.7
357.23996	20.9
469.23215	65.7
469.33517	3.3
470.23584	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01869	8.1
55.05511	14.9
57.03445	3.7
57.07087	3.8
60.78297	3.1
61.02922	5.7
61.56914	2.8
63.58692	2.9
67.05505	44.6
68.99783	4.4
69.03440	27.0
69.07070	28.4
70.49386	6.9
71.04989	6.5
73.02900	4.5
79.05485	25.9
81.03412	23.4
81.07057	78.2
83.04963	8.9
83.08627	6.9
85.02902	40.4
85.06541	5.2
85.38863	3.0
87.00827	18.4
91.05478	43.3
93.07051	96.6
95.04967	12.3
95.08605	70.2
97.02866	21.0
97.06525	6.9
97.10169	3.7
99.04478	10.5
102.29066	3.4
103.03945	6.4
103.05519	4.6
105.01865	11.0
105.07030	71.0
106.07369	3.4
107.08589	69.5
109.02875	18.4
109.06527	8.9
109.10154	97.6
111.04420	5.9
111.08099	19.3
115.03928	5.7
116.84567	3.0
117.07036	6.0
119.08588	67.2
121.10143	42.0
123.04445	4.1
123.08078	11.3
123.11694	20.2
125.09645	20.7
127.03915	25.7
129.01804	6.4
129.06999	4.6
131.08569	22.2
133.10141	39.0
135.08037	5.8
135.11703	47.1
137.05986	3.2
137.09605	8.0
143.08572	11.8
145.04984	10.9
145.10124	27.4
147.02901	4.0
147.08041	3.4
147.11682	100.0
149.09610	6.7
149.13226	7.1
151.07562	4.5
151.11186	6.7
153.09091	4.3
155.08662	3.8
157.10144	13.9
159.02916	11.6
159.07996	5.1
159.11653	17.4
161.09666	5.1
161.13229	22.7
163.11148	9.1
163.14857	4.6
163.95178	3.0
165.12775	6.0
169.10103	6.2
171.11705	7.7
173.09641	6.2
173.13260	9.3
175.11169	5.4
175.14821	8.7
177.09151	4.4
177.12735	6.5
183.11687	4.1
185.13322	6.0
187.11160	5.7
187.14853	4.3
191.10490	4.3
201.12743	4.8
201.16415	14.8
203.17961	59.5
209.11656	4.0
213.16364	3.7
215.14299	4.9
215.17967	8.7
219.17421	13.4
221.18993	9.5
231.05087	3.3
243.17467	3.5
245.19044	10.8
257.19031	6.2
261.18445	4.2
263.19958	5.4
287.19980	7.4
293.18936	4.7
311.20044	16.1
329.21078	12.6
347.22006	5.0
389.94305	3.7
415.20898	4.5
433.21826	15.5
451.23157	8.8
470.24036	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
53.03738	0.9
53.03959	2.9
55.01868	7.3
55.05509	14.1
57.03446	2.4
57.07084	2.9
59.04990	1.3
59.26546	0.9
61.02939	2.9
63.04687	0.8
65.03951	3.0
67.05502	35.0
68.99803	3.3
69.03424	13.8
69.03748	1.1
69.07067	17.8
70.73891	1.2
71.01340	0.8
71.04993	3.0
73.02931	3.1
77.03957	2.6
78.04697	0.8
79.05490	17.1
81.03417	14.2
81.07055	42.8
83.04984	6.2
83.08608	8.5
85.02902	24.1
85.03410	1.1
85.06564	2.4
87.00829	9.9
87.04477	0.9
87.29089	0.8
91.05478	39.3
93.07041	100.0
94.07391	2.3
95.04969	13.9
95.08604	44.6
96.08975	1.1
97.02897	9.4
97.06558	2.8
97.10196	1.6
99.04443	4.3
103.03986	3.1
103.05470	1.2
105.01877	7.4
105.04538	4.4
105.07027	52.4
107.04988	1.0
107.08591	53.0
108.08942	1.0
109.02872	10.8
109.06488	6.0
109.10154	87.8
110.10531	1.6
111.04494	3.8
111.08080	23.1
111.08813	1.2
111.11772	1.5
113.06055	0.8
115.03947	4.3
117.01878	1.7
117.06998	4.0
119.06071	1.0
119.08572	48.5
121.06550	2.7
121.10140	27.0
123.04440	1.8
123.08037	4.5
123.11710	11.2
125.06020	0.9
125.09650	6.7
127.03915	13.9
128.06204	1.2
129.01906	1.9
129.07005	1.7
131.08557	8.6
132.72491	0.8
133.06538	2.0
133.10132	23.3
134.10486	1.0
135.04448	0.9
135.08076	3.8
135.11690	42.7
136.12137	0.8
137.06070	0.9
137.09605	5.1
137.13287	1.5
139.07527	0.9
139.11200	2.1
143.08612	5.3
145.04977	3.7
145.06587	0.9
145.10121	12.1
147.02951	2.1
147.08080	2.1
147.11681	50.0
148.12038	1.2
149.09659	3.5
149.13286	3.3
151.07552	1.5
151.11227	2.9
153.09175	2.8
155.08617	2.4
157.10094	4.8
158.09161	0.8
159.02864	4.2
159.08086	2.0
159.11687	11.6
161.09659	1.9
161.13257	13.9
163.03923	1.0
163.11247	3.3
163.14883	1.5
165.09123	1.4
165.12794	2.6
169.10156	2.9
171.11748	3.3
173.09677	2.0
173.13303	4.6
175.11237	2.6
175.14854	4.4
177.09122	1.9
177.12776	2.4
179.10777	0.9
181.08691	1.4
183.11765	2.9
185.13312	2.7
187.11195	2.1
187.14879	1.6
189.04015	3.3
189.12675	1.0
189.16411	1.9
191.10751	1.6
191.17979	1.3
195.10173	1.8
195.11778	1.4
197.09720	1.1
197.13373	2.1
199.11250	1.1
199.14879	0.9
201.12796	1.9
201.16399	4.7
203.14259	1.5
203.17947	35.9
203.19836	1.8
204.18321	1.2
205.12296	1.4
213.12778	1.4
213.16467	2.3
215.18039	3.7
219.13971	0.9
219.17407	4.9
221.19003	4.8
225.16322	1.2
227.17902	1.5
231.05014	2.3
231.17358	1.2
233.19090	1.5
239.17924	1.1
243.17534	1.6
245.19055	3.4
251.17865	1.2
255.17258	0.9
257.19028	2.2
261.18546	1.1
269.19073	2.8
287.20087	1.7
293.19070	2.3
311.19955	5.4
329.21155	5.0
347.22125	1.3
351.14362	0.9
415.21109	2.8
433.22192	5.1
451.23297	3.2
469.24371	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90212	1.4
53.03952	4.2
55.01879	5.2
55.05511	22.6
57.03444	4.9
57.07074	3.1
59.04999	3.5
61.02935	1.3
65.03935	3.1
67.05507	79.5
69.03427	14.3
69.07066	17.4
69.90063	1.4
69.90385	2.5
70.06621	1.6
70.07404	1.5
71.04996	25.6
73.02925	1.6
79.05498	24.0
80.05031	5.9
81.03425	17.4
81.05376	1.3
81.07059	67.9
82.07415	1.2
83.04978	8.5
83.08624	13.5
85.02916	15.7
85.06536	13.6
87.04467	3.1
91.05478	16.2
93.07050	27.2
95.04974	7.8
95.08609	62.1
96.08154	1.3
96.08934	2.0
97.02902	4.0
97.06533	23.1
97.07122	2.1
97.10155	6.2
98.97631	1.2
99.04469	8.0
99.08092	4.2
100.11272	1.7
101.02407	1.5
102.45298	1.3
105.07044	8.8
107.04947	1.9
107.08607	15.0
109.02898	8.4
109.10159	50.3
111.04457	3.4
111.08099	8.6
113.06001	5.4
113.09628	2.5
114.06351	2.8
115.03956	7.9
116.04272	1.5
118.06542	1.4
119.08580	9.1
121.10156	27.8
122.09666	1.9
123.11705	10.0
125.09615	3.6
127.03911	7.9
128.04286	1.8
128.07079	1.6
129.05499	1.9
133.04990	2.1
133.10127	12.2
135.04443	2.7
135.11690	23.1
137.09624	2.7
137.13263	2.8
138.09167	2.2
139.07535	1.8
139.11176	4.1
139.14665	1.4
141.12840	1.4
143.10687	1.7
145.05003	4.0
145.07600	2.2
147.04494	1.6
147.09174	7.4
147.11649	6.8
148.07608	1.6
149.13251	4.0
151.11186	1.8
153.12708	1.5
155.10674	2.2
157.12286	3.0
159.04420	2.4
161.02348	3.1
161.06000	2.2
161.13319	3.5
163.03911	13.5
163.14833	2.0
164.04262	3.1
166.08667	1.5
169.06551	2.2
173.02332	5.0
173.07150	5.2
173.11746	5.5
175.03947	2.5
175.08655	7.3
175.13330	2.0
175.14795	2.2
182.15419	2.1
183.17442	2.4
184.07379	2.2
184.09653	1.9
185.09978	1.7
187.07524	2.6
187.13336	3.7
190.09418	3.4
191.08168	55.9
192.08514	4.2
193.07060	1.7
197.05981	2.7
199.62955	1.2
202.10747	4.5
203.11053	1.8
205.08621	1.5
210.14859	3.1
213.09044	1.7
215.07053	23.2
216.07431	3.4
217.19453	8.7
218.09154	1.3
221.08208	1.7
225.22087	2.7
231.10060	1.4
235.20581	30.4
236.16560	2.1
236.21036	1.5
237.16803	1.8
253.21634	100.0
254.22014	3.6
259.09726	19.0
260.09988	13.6
271.22705	20.8
277.10803	16.3
289.11975	4.2
289.23819	6.5
307.12915	19.4
307.24768	12.7
312.22485	1.3
325.13901	19.3
331.12897	4.0
349.13861	4.5
354.24060	1.3
389.16965	3.6
397.13925	2.8
415.15195	6.7
433.16046	7.4
434.15887	1.8
451.17120	5.6
451.25113	2.4
452.30942	1.7
469.16690	3.3
469.25809	10.1
469.33694	2.7
470.17914	1.9
470.24414	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	469.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65558	0.3
51.86520	0.3
57.07076	0.3
69.66268	0.7
69.73026	0.2
71.08644	0.3
81.78225	0.2
86.58400	0.3
89.06027	0.4
93.69415	0.2
98.23372	0.6
103.55388	0.2
111.60575	0.3
128.93025	0.3
139.73032	0.3
293.63467	0.3
469.34979	100.0
470.35394	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.03436	0.6
67.05495	2.7
69.07056	0.4
69.27000	1.5
79.05489	1.2
81.07051	1.7
90.93728	0.2
91.05482	0.6
93.07041	1.2
95.08600	1.5
96.21464	0.2
96.61732	0.4
101.23758	0.3
105.07010	0.5
107.08554	0.6
109.10123	0.3
119.08623	0.4
119.20663	0.3
121.10139	0.4
134.98178	7.0
149.13232	0.3
154.06892	0.3
178.58554	0.3
284.51276	0.3
291.75177	0.3
335.25790	2.9
357.24213	1.3
407.55249	0.3
410.99088	0.3
469.23477	5.8
469.34970	100.0
470.24182	0.6
470.35287	5.1
474.34805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01881	0.4
55.05515	0.7
56.05037	0.6
57.03420	0.7
58.06589	0.5
61.46554	0.4
61.95733	0.5
67.05506	1.2
68.05030	0.6
69.03429	5.0
69.50049	1.0
69.50461	1.5
70.06599	5.4
71.04990	3.5
73.59677	0.4
74.06079	1.2
79.05495	1.6
80.05017	5.9
81.03417	1.0
81.07072	1.9
82.06567	0.7
83.01340	2.1
83.04974	0.6
84.08146	1.4
85.02905	1.3
85.06527	0.8
87.04482	0.6
91.05486	1.0
93.07040	1.4
94.06567	3.9
95.04977	1.6
95.08654	2.2
95.09171	0.4
96.08126	1.9
97.02899	0.6
97.06514	0.6
97.08930	1.6
98.06032	0.4
98.22747	0.9
99.04439	1.6
105.07050	2.0
107.08611	0.6
108.08125	0.7
109.06524	0.6
109.10206	0.5
110.09709	1.2
111.08081	10.8
112.07703	0.6
112.08437	0.8
115.03934	2.2
117.07039	0.5
119.08604	0.8
120.08106	3.2
121.06516	1.4
122.09673	12.8
123.08072	1.9
124.07621	0.8
124.11226	1.7
125.05986	1.0
125.09749	0.5
127.03940	1.6
131.25520	0.5
132.08076	0.6
134.09660	1.7
135.04453	0.9
135.08072	0.6
136.11221	2.7
137.05954	0.9
139.07568	1.0
141.09076	2.1
143.03416	0.6
143.08592	0.7
145.04985	1.3
147.04437	0.8
148.11232	0.7
149.06053	0.7
149.09605	0.6
150.09145	16.7
151.09515	0.5
151.11174	0.5
152.10730	1.8
153.05524	0.5
153.09030	0.6
154.12347	0.7
155.07030	1.3
159.07710	0.7
161.09637	0.7
162.12794	1.4
163.03908	0.8
164.14359	4.7
166.08658	1.6
167.07050	0.5
168.10204	31.6
170.11786	1.7
173.09819	0.5
176.14418	0.6
177.10307	0.6
180.13881	1.9
181.08554	1.0
182.11757	4.1
182.15448	1.2
184.13370	1.1
189.09166	0.6
190.12192	0.5
190.15916	0.9
191.10658	0.5
192.13832	0.4
194.15448	0.8
197.08148	1.1
200.12865	0.9
205.08624	0.6
208.13351	1.0
208.17053	1.0
219.10205	0.8
220.13422	0.5
222.11308	0.5
231.10172	0.5
234.14894	3.1
235.09718	1.1
236.12737	0.6
236.16481	2.0
237.11378	0.8
247.09674	0.7
249.11282	1.5
252.15848	0.6
262.18005	0.8
264.19708	0.9
265.10800	1.0
267.12167	3.8
273.11197	1.1
278.17502	0.5
280.19250	0.6
290.17560	1.2
292.19119	1.1
294.17093	1.9
308.18564	5.8
324.15643	1.2
326.19730	1.5
338.19501	0.6
348.21768	0.6
360.18088	0.6
378.18945	1.3
408.24017	0.7
434.21826	6.9
435.21808	0.5
452.22760	23.3
453.23148	1.3
470.23920	100.0
471.24457	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	470.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90331	0.8
51.15751	0.8
53.03943	1.0
55.05491	1.3
56.05033	4.3
67.05491	4.0
68.05013	2.4
69.03416	1.6
70.06590	3.1
70.51857	1.9
71.04990	6.2
74.94701	0.8
76.02224	1.4
79.05483	2.9
80.05016	49.2
81.07049	1.7
82.06576	1.4
90.65093	0.9
91.05481	3.1
93.05753	1.0
93.07039	4.0
94.06553	3.3
95.04966	32.8
95.08581	1.9
96.08118	5.5
98.06043	3.4
99.04446	3.8
103.05465	2.4
105.06992	3.0
108.08117	0.9
109.06506	1.3
113.06018	8.7
114.05566	0.9
117.05474	1.5
119.08595	1.0
120.08105	8.8
121.06495	2.6
122.09645	1.6
122.82405	0.8
123.04408	3.9
123.08056	2.0
126.86228	0.9
131.04921	3.0
133.10095	1.0
135.08087	1.2
138.09135	33.0
139.07526	2.4
141.05469	7.1
146.09534	0.9
148.07573	9.8
154.12262	3.7
155.03415	1.8
155.06963	1.1
156.10205	15.8
163.03923	1.7
163.07513	1.2
166.08644	10.9
167.07039	1.6
179.04851	1.1
180.13831	1.3
183.06482	1.3
184.09689	32.9
185.10036	1.1
192.13809	1.2
202.10727	38.2
208.13315	1.2
220.13467	1.0
223.21368	0.9
236.16423	1.8
238.14348	1.3
238.29724	0.8
251.12749	9.8
278.17523	7.2
279.18253	0.9
296.78970	1.0
308.09140	2.0
320.18445	1.0
324.18063	1.7
348.17841	1.6
406.22192	3.8
424.23199	1.2
434.21982	5.6
452.22717	29.6
453.23032	1.9
455.43649	1.0
470.23785	100.0
471.24313	5.9
481.08075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2385
Annotation	Acetyllasiocarpine N-oxide
Peak:m/z	Relative Intensity
50.69968	0.4
53.03924	0.7
55.01868	0.7
55.05500	0.9
56.05032	4.0
56.96556	1.2
59.04991	0.5
60.07778	0.4
67.05506	5.2
68.05030	3.1
69.03429	1.2
70.06596	2.9
71.04992	6.6
72.08144	0.9
77.03939	0.4
79.05491	2.7
80.05015	49.2
81.03423	0.9
81.05781	0.5
81.07054	1.5
82.06580	1.8
83.04953	0.7
84.96033	0.9
91.05492	2.6
93.07042	4.6
94.06556	3.4
95.04967	31.4
95.08597	2.6
96.08120	4.2
97.06522	1.0
98.06055	2.8
98.97566	0.9
99.04452	3.8
101.06009	0.9
103.03968	0.4
105.03373	0.6
105.04501	0.4
105.07018	2.2
107.08607	1.0
109.06532	1.2
110.06019	1.2
110.09699	0.6
111.08086	0.7
112.99136	1.4
113.06012	7.9
114.05476	0.6
116.07071	0.8
117.05508	1.2
117.07016	0.5
118.06551	0.5
119.08579	1.8
120.08099	7.9
121.06493	1.8
121.10178	0.5
122.09657	2.6
123.04427	4.3
123.08086	1.3
125.09698	0.4
127.03883	1.1
129.07043	0.4
131.00133	0.6
133.05243	0.6
134.09636	0.6
135.08051	0.5
136.11232	0.5
138.09135	28.5
139.07584	2.0
139.09560	0.6
140.10707	1.0
141.05457	6.5
143.08510	0.4
145.10127	1.0
146.09610	0.8
147.08081	0.7
148.07559	8.3
148.11221	0.4
150.09120	2.5
152.10751	0.5
154.12267	3.9
155.03377	1.4
155.07036	1.5
156.10201	16.8
157.10239	0.5
161.09503	0.4
163.03918	1.4
164.10757	0.6
165.05507	0.8
165.09102	0.6
166.08638	9.4
167.07053	1.7
168.10226	2.7
168.98102	0.9
178.12206	0.5
179.00140	1.0
180.13904	0.9
181.34242	0.4
182.08167	1.2
183.06538	1.4
184.09686	32.6
185.09961	0.6
186.11258	4.5
186.99133	1.1
190.08723	0.5
192.13884	0.7
193.12254	0.6
197.01208	3.4
200.30502	0.4
202.10739	34.6
203.10988	0.9
204.13831	0.7
208.13298	0.8
215.02251	1.3
220.09680	0.9
220.13423	0.5
222.14929	0.6
233.11707	1.2
234.14842	0.6
236.16507	1.2
238.14455	1.6
242.52870	0.4
250.18047	1.2
251.12764	10.5
260.16629	0.5
268.15506	0.4
269.13651	0.5
276.16006	0.6
278.17477	6.3
289.02292	0.6
291.01782	0.5
304.15533	0.7
306.16968	0.7
322.20114	0.5
323.04507	2.1
324.18057	1.5
324.44833	0.4
347.04285	0.5
348.18124	0.8
366.19116	0.7
388.21423	1.3
393.04834	1.5
406.22232	2.8
411.05878	0.9
424.23251	1.9
434.21869	5.3
452.22797	29.2
453.22958	1.8
470.23822	100.0
471.24161	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	470.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
55.05510	1.6
56.05033	0.5
57.20935	0.4
58.06615	0.5
65.03941	1.1
67.05505	9.3
68.05027	0.4
69.03434	3.7
69.07058	0.5
70.06594	2.1
70.58043	0.7
71.07365	1.8
72.08139	0.5
79.05497	4.3
80.05014	0.7
81.05792	0.4
81.07056	10.2
82.06580	1.3
83.04993	0.5
84.08150	3.0
85.08929	1.9
85.95868	0.4
91.05480	5.7
93.07043	6.5
94.06582	1.2
95.04974	6.1
95.08607	11.9
96.08121	1.7
97.02901	2.2
97.06544	0.5
98.06071	0.6
98.09699	1.0
99.04357	0.4
105.07038	5.4
106.07840	0.4
107.04945	0.5
107.08583	5.5
108.08126	1.2
109.06542	3.3
109.10148	1.0
110.06051	1.4
110.09665	2.5
111.04418	2.3
112.07614	0.7
112.11240	1.1
114.30198	0.4
115.05447	0.5
117.07046	2.0
119.04916	1.0
119.08562	2.2
121.06510	1.9
122.09657	1.7
122.84089	0.5
123.04430	36.7
124.04770	0.7
124.07569	1.5
125.06033	0.7
126.09158	1.0
128.07079	0.4
129.06952	1.9
131.08548	2.8
133.06462	2.2
133.10158	1.0
134.09673	0.8
135.08060	6.6
136.07578	1.0
136.11197	0.7
137.05984	11.9
138.09128	1.3
138.12759	0.6
142.07709	0.7
143.08479	0.7
144.09334	0.8
145.06462	0.6
145.10094	0.7
147.08017	1.2
147.11661	0.9
148.07585	0.7
148.11221	0.9
149.05843	1.4
149.09631	0.6
149.13391	0.5
150.09161	1.3
151.07587	1.0
157.10095	1.9
159.08040	1.3
159.11691	3.8
160.07677	0.5
161.06036	1.1
161.09628	0.9
161.13228	0.5
162.09128	0.9
162.12773	0.6
163.07547	1.5
166.12242	0.7
174.09193	1.2
174.12698	0.6
175.07535	2.3
175.11203	1.6
176.14313	0.8
177.12831	0.7
185.09645	1.6
187.11191	1.7
191.04189	0.5
198.12894	0.4
200.10760	0.5
202.12166	0.9
203.10692	2.2
204.13875	1.3
205.12224	2.0
216.14066	0.5
222.14926	1.8
224.14180	0.5
228.09961	0.6
230.11699	0.6
232.13318	0.8
243.12332	0.6
248.12917	0.8
257.07846	0.8
258.15082	0.4
260.16342	0.5
266.13882	1.3
274.14417	0.6
274.17957	1.0
277.84564	0.5
281.35406	0.4
284.12698	0.5
286.17996	0.7
296.12662	0.7
315.12247	0.5
328.18991	0.8
334.20151	2.1
362.62466	0.5
372.21765	5.0
396.21481	1.4
408.17838	0.7
424.17279	4.8
424.22949	0.5
426.19019	2.1
452.16776	0.7
452.24161	1.0
453.17731	0.8
470.17786	14.7
470.25284	100.0
471.18372	1.3
471.25632	6.2
492.76730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	1.8
55.05470	0.6
65.03891	0.6
67.05429	3.5
68.75015	0.4
69.03354	1.3
69.95462	1.3
79.05407	2.3
80.05006	2.1
81.06971	6.4
84.08055	0.5
91.05489	2.9
93.07048	4.4
94.06554	2.0
95.04976	2.1
95.08609	13.9
95.09181	0.7
97.02818	1.6
105.07030	2.6
107.08597	7.8
109.06519	2.8
110.09634	1.1
111.04456	3.1
113.05915	0.5
117.06958	0.9
119.08502	0.8
120.08051	0.4
121.06387	1.2
122.09695	4.1
123.04434	24.3
123.05264	0.9
125.05928	0.5
129.06960	0.6
131.08467	1.6
133.06396	0.4
133.10022	0.4
134.09549	1.2
135.08051	7.9
136.11209	2.6
137.05981	10.7
145.09995	0.4
149.05905	0.9
150.09151	4.0
150.12759	0.5
151.07535	0.7
152.10623	0.6
157.10017	0.6
159.07953	1.0
159.11725	1.9
162.12671	1.4
163.07472	1.8
168.10255	2.9
169.10060	0.4
176.14294	0.9
182.11760	3.9
187.11130	1.7
203.10596	0.6
205.12178	1.6
248.16643	0.5
269.54825	0.4
274.17914	0.6
298.17969	0.5
326.21286	0.5
344.22171	2.4
372.21695	100.0
373.22046	4.7
442.25754	2.6
470.25409	22.7
471.25906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
65.03930	0.7
67.05502	5.3
68.23891	0.8
69.03438	1.2
70.61628	1.0
70.61966	1.5
70.79454	0.9
75.79535	0.7
79.05481	4.6
80.05016	3.5
81.07054	8.8
82.06543	1.0
84.08122	0.9
91.05471	4.2
92.98116	0.9
93.03450	0.8
94.06564	0.9
95.04970	2.7
95.08601	15.6
97.02894	1.5
105.07040	3.2
105.19855	0.8
107.04962	0.8
107.08588	8.6
109.06544	3.2
110.34732	0.8
111.04433	2.4
115.05466	0.9
117.07035	1.2
119.08585	1.5
121.06512	1.8
122.09621	4.9
123.04427	28.7
131.08580	2.8
135.08055	9.4
137.05983	12.5
147.08058	1.3
147.11879	0.9
150.09071	3.7
151.07529	0.8
159.11710	1.9
163.07582	0.9
168.10211	4.4
182.11778	4.6
187.11183	2.7
191.80116	0.7
205.12221	1.2
372.21686	100.0
373.22092	4.3
447.76163	0.9
470.25226	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	470.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64534	0.6
55.05507	1.3
57.03438	1.3
57.07077	51.2
58.07415	1.0
67.05505	8.9
69.07052	2.6
69.40176	3.3
71.08631	16.2
81.06628	0.9
81.07061	11.6
83.08618	1.3
85.10177	8.3
89.06030	2.3
95.08613	13.2
98.98446	3.5
109.10159	4.3
109.10789	0.6
127.11195	13.3
134.98177	5.0
155.01030	5.0
155.14326	7.2
155.64943	0.7
201.14844	1.2
229.18040	1.5
276.62552	0.7
281.11621	1.1
309.14621	2.9
337.27350	1.8
355.28415	100.0
356.28702	5.6
395.13431	0.8
470.23676	1.2
471.18283	1.4
471.24838	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	470.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27793	0.8
50.38937	0.7
55.05498	2.2
56.16247	0.7
57.03422	1.8
57.07078	47.3
58.69858	0.8
60.82105	0.7
65.10811	0.8
67.05509	11.7
69.07071	4.6
70.71406	1.2
71.08632	14.4
79.05487	0.9
81.07057	13.0
83.08617	1.8
85.10182	8.4
86.63435	0.7
89.06027	1.3
93.07039	1.6
94.14797	0.7
95.08608	13.5
97.10152	0.8
98.98445	3.6
107.08604	1.0
109.10150	5.5
119.08601	0.9
127.11195	13.3
134.98189	9.6
137.13249	1.5
141.62437	0.7
155.01041	7.3
155.14301	8.9
163.03830	1.1
170.14171	0.7
195.23207	0.7
201.14915	1.5
229.17964	1.5
281.11520	1.1
309.14456	1.6
319.36584	0.7
337.27405	3.2
355.28415	100.0
356.28806	4.2
359.25534	1.7
470.23416	2.7
471.18448	1.8
471.24881	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	470.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05509	1.2
57.03441	0.6
57.07080	0.9
60.04518	1.3
65.03951	1.5
67.05503	3.4
68.05017	0.4
69.07057	1.5
75.04482	0.4
78.43530	0.3
79.05495	1.0
80.05015	0.9
81.07055	2.1
83.04980	0.4
83.08621	1.1
84.04488	0.4
91.05468	1.0
93.07043	0.8
95.04991	1.4
95.08625	1.9
97.06558	0.3
97.10162	0.8
101.94044	0.3
101.94670	0.4
102.05545	3.2
105.07024	0.7
105.67160	0.3
108.02108	2.1
109.10175	0.8
110.03622	0.4
111.04439	0.7
111.08056	0.5
119.08556	0.5
121.10166	0.5
123.04464	0.5
125.06001	0.4
135.11710	0.7
136.01526	0.4
141.05455	2.5
147.11716	0.4
147.41582	0.3
151.03911	100.0
151.05000	8.6
152.04228	2.1
168.06613	1.4
189.27408	0.3
197.59946	0.3
199.47638	0.4
203.11040	0.4
210.07620	2.0
216.27353	0.3
219.21046	0.3
237.22079	0.6
248.23737	0.9
249.22098	1.9
266.24762	1.8
267.23157	0.6
270.09674	0.8
284.25854	2.7
302.26941	6.6
313.84680	0.3
319.89563	0.3
320.27982	0.5
329.26892	1.9
413.16321	0.3
416.28119	1.5
434.29022	4.5
435.27429	0.6
452.30057	12.2
453.30154	0.8
470.24985	0.6
470.30716	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.8898
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97853	0.5
67.05487	0.7
70.06589	0.7
93.32880	0.6
94.93014	100.0
96.92821	15.4
96.93429	1.2
100.76239	0.7
111.08139	0.8
111.67056	0.6
122.92524	0.7
123.87736	0.6
149.95883	0.7
162.95532	0.6
164.93523	2.2
190.95079	7.3
215.57001	0.6
218.92293	1.8
220.92194	1.1
222.51314	0.6
234.94104	1.9
235.05649	0.7
236.95630	18.3
244.90245	1.3
246.91788	3.2
248.91583	1.7
251.03194	1.4
256.90106	1.3
256.92535	0.8
272.89633	61.7
273.90085	2.1
274.91467	65.3
275.91827	1.0
275.94464	1.0
287.78351	0.8
312.86713	8.1
426.89822	1.3
434.21857	0.7
452.22736	1.4
470.23929	7.2
471.24121	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	471.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	2.5
56.96567	41.7
57.03436	2.5
62.98883	1.2
67.05489	1.4
69.03423	2.7
70.06593	5.3
71.04986	1.8
71.45614	1.3
79.05503	2.8
80.05009	1.4
80.23421	1.3
81.00480	1.2
81.07069	1.9
83.04974	1.4
84.08135	1.4
84.96036	36.7
91.05495	1.4
93.07045	1.6
95.04964	2.2
95.08590	1.4
96.08152	2.3
97.96822	1.2
98.97591	30.6
100.11268	4.8
102.97073	3.0
103.03941	3.7
105.03399	23.3
107.03700	1.1
107.08567	2.3
108.37383	1.2
110.97571	6.7
111.08069	4.2
112.08409	1.9
112.99136	32.6
112.99900	2.1
116.98630	13.8
122.09724	1.4
123.04423	2.5
124.99139	2.6
125.09631	4.6
126.97073	2.6
128.98602	6.7
131.00182	31.1
134.99699	3.7
135.08020	1.3
140.98642	2.3
143.00177	4.1
144.98103	7.2
146.99699	2.0
149.01224	13.5
150.97002	8.7
152.10786	2.1
152.98640	2.7
153.09108	3.8
155.00169	5.0
157.01744	1.3
158.99699	3.6
160.99048	6.0
161.01233	3.0
162.99171	4.4
165.80721	1.2
168.98097	32.8
170.99713	5.6
173.01230	15.3
179.00153	29.4
179.01630	2.3
179.07089	3.9
181.01782	1.8
186.99152	45.6
189.00739	4.0
191.00812	1.2
191.02269	8.8
193.01730	1.3
197.01222	100.0
198.01541	2.4
199.02808	2.0
201.00706	3.2
203.02156	1.7
205.00227	11.5
207.06580	3.0
214.98868	2.6
215.02274	43.4
220.02867	2.1
221.01309	1.8
225.00766	5.5
227.02266	4.2
232.99760	3.4
235.02840	2.9
237.04347	1.7
239.02194	7.8
243.01744	4.5
245.03340	2.1
253.00227	3.8
253.03835	8.7
263.02359	2.4
267.01941	1.4
271.01273	6.0
271.04535	1.7
275.02460	1.7
281.03445	4.4
289.02274	12.3
291.01733	8.1
295.04828	1.5
305.03342	20.5
305.56885	1.2
307.03281	1.5
309.02872	5.0
311.04016	1.3
313.03845	5.3
323.04376	96.8
324.04742	3.2
329.03442	2.0
331.04926	13.9
341.05612	8.8
346.05850	3.9
347.04413	29.2
349.06128	2.3
365.05405	13.9
375.03912	15.9
376.04037	1.4
380.28787	1.2
393.04935	51.7
394.05237	3.0
411.05954	32.4
412.06491	1.8
429.07111	12.0
434.07510	2.7
452.08765	1.6
452.25403	4.1
453.17184	1.4
453.23309	3.3
457.37241	1.4
470.27182	16.5
471.08231	16.7
471.24841	12.4
471.35358	3.2
472.25378	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	471.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33448	0.3
55.67080	0.3
69.03426	0.6
69.60893	1.6
70.06595	3.4
71.04983	1.0
84.08150	0.6
85.06531	1.0
86.06060	1.4
95.08588	0.4
96.08116	0.4
97.06554	0.4
111.08102	1.8
111.08730	0.4
112.08409	0.5
116.07125	0.3
121.06470	0.4
122.09649	0.5
124.11232	0.5
127.03631	0.5
134.09723	0.4
134.33604	0.3
135.08055	0.4
136.11234	0.5
137.05954	0.4
145.02756	0.4
148.58299	0.4
152.10751	1.5
164.14377	0.6
165.14645	0.5
176.04567	0.5
177.05444	0.7
236.16148	0.4
250.18123	0.4
252.16118	0.4
259.63574	0.4
267.63339	0.4
274.11743	0.4
309.18942	1.0
317.08591	0.6
352.21356	0.7
366.22876	1.3
383.22906	0.4
384.23703	2.1
421.20740	0.5
435.22171	1.4
453.23029	2.7
470.23788	0.6
471.14722	100.0
471.24203	14.8
472.15161	6.4
472.25415	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	471.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03952	4.0
55.01872	5.0
55.05521	0.8
58.43552	0.8
65.03934	1.3
67.05496	1.4
67.22253	0.7
67.46374	0.6
68.99798	1.3
69.03422	4.0
71.04964	1.3
71.46088	0.7
75.04469	0.7
77.03940	2.2
78.24609	0.6
79.05484	7.3
81.03415	9.4
83.04982	1.1
85.02904	10.4
87.00817	2.9
91.05480	26.1
91.06051	1.3
93.07040	14.3
95.04967	10.8
97.02869	3.7
97.06494	0.9
103.04774	0.8
103.05463	14.5
105.04511	3.2
105.07030	11.8
107.04952	59.9
107.08578	1.0
109.02899	4.8
111.04449	2.4
111.67025	0.7
115.05474	2.0
116.36715	0.7
117.07008	2.5
119.04941	11.6
119.08616	1.5
120.05730	2.3
121.02866	2.5
121.06503	91.8
122.06767	1.4
123.04440	1.1
123.08086	1.6
125.05988	1.1
128.06236	1.4
129.01833	1.4
129.06993	1.5
130.04214	0.9
131.04929	10.6
133.06494	9.0
135.08054	6.0
136.05211	0.7
137.05988	4.3
138.06761	2.2
139.07530	2.3
141.06995	1.2
144.05731	2.0
145.06493	8.1
147.04344	0.8
147.08041	3.9
148.05156	0.8
149.05989	2.7
149.09523	0.8
150.06754	2.1
151.07541	26.1
152.08319	6.7
153.06963	1.1
153.09146	4.3
154.07751	0.7
155.08511	1.3
157.06503	2.9
158.07251	2.1
159.08055	4.7
161.05983	5.5
161.09598	1.0
162.06816	1.3
163.07532	4.4
164.04704	1.2
164.08319	2.0
165.05606	1.0
165.06990	3.6
165.09096	13.9
167.08447	1.0
169.06503	2.2
171.08032	1.5
172.08842	0.7
173.05930	3.8
173.09636	2.8
174.06772	3.1
175.07544	14.7
176.08224	1.4
177.09116	6.5
178.06297	5.0
178.09846	1.2
179.07001	2.8
179.08583	1.7
181.06494	2.7
182.07314	1.3
183.08090	2.0
185.06035	1.3
185.09644	1.4
186.06772	1.1
187.07578	2.2
188.08324	3.8
189.09114	11.9
191.07010	3.1
191.10683	2.6
195.08009	3.5
196.08812	2.9
197.05934	3.9
197.09697	0.9
198.06693	0.9
199.07545	2.3
200.08388	2.0
201.05441	1.2
201.09071	6.1
202.09856	1.2
203.07051	1.7
203.10669	3.8
205.06514	0.8
205.08652	1.1
206.07301	0.9
207.08061	1.8
208.08823	2.0
209.06020	1.4
209.09644	1.1
211.07524	3.8
211.11214	2.6
212.08260	2.5
213.05524	1.0
213.09138	3.4
214.09848	1.3
215.07056	2.3
215.10686	2.8
217.08600	3.3
217.12225	1.8
219.10054	1.0
221.05846	0.9
222.06894	1.0
223.07538	2.8
224.08331	6.2
225.09099	3.6
226.09901	1.1
227.07027	2.9
227.10680	5.9
228.07689	1.0
229.08598	4.4
231.08083	1.4
231.10181	1.9
232.11060	1.2
233.05899	1.3
233.09613	0.9
235.07576	1.4
237.09106	3.6
238.09846	3.6
239.10760	3.9
240.07706	2.1
240.11435	2.2
241.08545	2.8
241.12317	1.0
242.09288	3.4
243.06471	1.1
243.10155	5.8
245.08142	2.9
245.11768	1.5
246.08952	1.1
247.07469	1.2
247.09688	5.1
248.08327	4.0
249.09081	2.3
250.09818	2.0
251.10748	1.3
252.07860	2.2
253.08516	3.2
253.12346	2.1
254.09418	2.4
255.10175	11.0
256.11011	3.4
257.09344	1.0
257.11722	4.2
258.08893	0.8
258.12424	1.2
259.09558	1.1
259.13306	5.8
261.09067	1.5
262.10001	1.2
263.10782	1.0
264.07867	3.0
264.11249	0.8
265.08688	1.1
266.09354	2.4
267.10165	27.1
268.10843	5.3
269.11725	21.9
271.13281	50.6
272.13660	1.0
273.11261	6.8
274.09631	1.1
275.10724	1.9
276.07916	1.5
276.11453	1.3
277.08646	5.3
278.09357	4.2
279.10172	9.4
280.10767	3.6
281.11697	7.5
283.13205	6.0
285.08331	1.7
285.11255	26.4
288.11249	0.9
289.12204	0.9
291.10068	4.2
292.10941	2.0
293.11694	9.7
294.12292	1.0
295.13306	3.8
297.14886	4.4
297.17969	0.7
299.10623	1.7
300.11447	1.5
301.08536	1.0
301.14307	4.8
305.11761	1.8
306.12408	1.1
307.13199	5.5
309.11163	1.2
311.13049	1.0
311.16489	2.1
313.14291	1.0
316.11069	1.7
317.11469	1.2
318.12418	1.8
319.13489	1.1
321.14835	8.3
325.14337	5.3
331.13251	6.7
339.15860	4.0
349.14331	40.2
350.14755	2.3
367.15387	100.0
368.15744	3.9
385.16321	1.1
387.14587	0.8
427.22723	0.9
435.14188	1.9
451.65417	0.7
453.15460	7.6
471.16208	2.0
471.21872	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	471.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33837	0.3
64.91482	0.3
65.02493	0.3
69.03416	0.4
70.06606	0.4
71.08885	0.3
76.25156	0.3
81.07008	0.7
82.91612	0.3
86.09697	0.8
86.66528	0.4
92.69259	0.4
98.22526	0.6
155.03156	0.6
172.21622	0.3
189.01321	0.4
195.49747	0.4
201.03696	1.3
203.05220	1.5
229.91949	0.3
246.25999	0.3
275.07434	2.1
294.46402	0.4
333.07913	50.6
334.08273	1.6
335.09470	26.8
336.09958	0.7
400.34616	0.4
471.22012	100.0
472.22437	4.9
494.78299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.05264	2.9
55.05515	47.3
56.00203	2.4
56.96545	4.4
57.03438	24.3
57.07077	5.1
67.05508	90.2
69.07068	45.0
69.64824	5.7
69.65211	5.9
71.08641	3.1
72.16367	2.9
74.90799	2.3
75.04472	5.9
79.05496	47.3
81.07057	100.0
83.04980	4.1
83.08615	27.3
84.11399	2.9
85.06547	4.1
91.05485	27.6
93.07049	59.8
95.04965	5.4
95.08610	78.4
97.06532	8.8
97.10168	16.1
98.22681	5.0
99.08114	3.2
105.07014	19.6
107.08586	34.7
109.10160	29.3
111.08083	8.0
111.11691	5.0
113.88615	2.4
117.06992	3.6
119.08561	14.9
121.10138	61.3
123.11700	7.6
129.05479	2.7
131.07072	5.9
131.08542	7.5
133.10110	12.9
135.11694	46.1
142.22751	2.2
145.10136	5.2
147.11716	7.5
149.09618	2.9
149.13289	16.6
150.53812	2.5
159.86171	2.8
161.13280	7.3
163.14824	6.7
173.13239	5.6
175.14816	4.0
177.12694	2.7
177.16434	2.5
181.15848	2.7
187.14841	6.9
223.17003	5.8
258.07831	3.6
287.23560	16.8
305.24747	97.5
306.24948	3.7
323.25827	7.3
333.17334	5.9
335.22031	3.2
337.20288	12.8
343.28583	5.2
351.18472	5.3
355.21570	9.8
369.19394	9.3
379.28436	38.5
397.29489	52.7
448.10696	3.3
453.32220	16.5
471.13358	35.2
471.26468	7.6
471.33035	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.7
55.01866	6.4
55.05513	78.4
57.03440	23.0
57.07079	14.5
57.39152	2.2
67.05196	1.8
67.05504	69.0
69.07067	78.7
69.27083	4.4
69.27476	7.8
71.04991	2.5
71.08649	5.2
75.04477	7.7
79.05489	28.2
81.07057	90.3
83.04996	2.7
83.08125	3.6
83.08620	60.7
85.06515	3.4
85.10191	2.9
91.05476	13.8
93.06457	3.0
93.07043	43.7
94.97740	2.0
95.04939	2.9
95.08604	81.2
95.09212	4.0
97.06523	9.3
97.10170	56.4
105.07039	10.6
107.08586	26.1
109.10149	38.7
111.08076	6.0
111.11732	19.0
113.06041	2.7
119.08560	12.4
121.10132	31.1
123.11727	12.2
125.09580	5.2
125.13261	8.2
129.05492	2.1
129.09158	2.6
131.07056	5.5
131.08568	3.6
133.10147	9.0
135.11676	20.9
137.09659	3.1
137.13258	6.5
143.10672	3.1
147.11673	9.1
149.13281	9.5
151.11200	4.1
151.14877	3.7
161.13232	4.8
163.14841	8.1
165.12802	4.0
168.54092	2.2
175.14841	5.1
177.16415	6.1
179.14275	3.0
181.15952	2.3
189.16423	3.5
193.15935	3.7
195.17526	5.3
207.17456	5.3
252.01015	2.4
259.24167	9.8
277.25290	35.3
287.23804	3.4
305.24744	22.0
308.31686	2.1
323.25934	5.9
379.28409	39.1
397.18042	2.6
397.24344	4.6
397.29462	59.1
453.32224	21.0
471.33179	100.0
472.33286	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	472.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
55.01878	9.0
55.05499	2.0
57.03433	4.8
61.02922	7.6
68.99799	3.2
69.03426	27.0
70.06579	4.0
71.04979	5.7
71.99026	1.2
73.02922	9.8
77.69250	1.1
79.05479	3.3
81.03411	33.3
81.07079	1.8
84.08138	2.4
84.08627	1.5
84.91180	2.1
85.02902	96.2
85.06525	3.5
87.00827	34.7
87.31730	1.4
91.03954	3.1
91.05471	2.2
93.07041	2.3
95.04948	4.2
97.02890	62.6
97.06555	1.8
97.31223	1.3
98.06058	2.8
99.04450	20.5
105.01868	58.9
105.03385	48.8
105.07034	1.6
108.04478	1.4
109.02874	37.4
117.01839	3.1
119.08543	1.7
122.33424	1.3
123.04404	4.5
127.03913	100.0
127.23951	1.2
129.01817	4.1
145.04953	58.6
147.02863	4.2
147.07893	1.4
159.02873	22.4
177.03984	1.8
189.04030	1.9
189.09103	18.6
193.08591	2.0
211.09671	1.9
213.03957	6.2
227.37936	1.5
231.04985	28.0
233.07462	1.8
234.73326	1.6
249.06056	7.7
271.12994	1.5
315.10724	3.7
330.29395	1.7
333.08145	2.2
336.09836	2.4
426.01544	1.4
430.13266	1.4
440.20364	2.1
454.18121	3.8
472.17380	5.8
472.22659	4.8
472.26978	5.8
473.14218	5.1
493.42169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
56.96566	2.0
63.93365	1.4
67.05486	2.7
69.03413	2.3
70.06602	1.7
80.79482	1.1
81.03408	1.9
85.02917	4.2
91.05482	21.7
93.07057	7.4
95.08548	1.5
97.02897	3.3
97.06557	3.0
105.07033	23.1
107.04993	1.9
108.05748	1.2
109.06540	6.7
117.06983	2.3
119.06042	4.4
121.06506	100.0
121.51653	1.3
122.06811	2.9
123.08039	1.6
125.05974	5.5
127.03904	3.1
133.06464	4.6
135.08105	2.1
136.11145	1.8
145.04919	1.5
147.08049	1.9
164.14302	1.4
167.07037	4.4
187.11130	1.6
187.37491	1.3
189.12759	24.9
195.10765	1.3
207.13744	2.8
215.10629	1.9
229.12215	1.8
233.11711	5.7
245.90475	1.2
257.11859	6.0
257.14093	1.5
275.12781	83.3
276.13165	3.9
293.13934	1.8
396.21179	2.6
399.47507	1.5
412.17957	2.2
428.19662	1.6
430.18869	1.8
440.20258	4.3
454.18283	14.4
472.19315	35.1
472.26678	13.0
473.18243	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	472.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16395	0.1
58.62956	0.1
59.05011	0.6
60.39025	0.1
65.03928	0.1
67.05499	0.1
69.07083	0.2
70.88075	0.1
73.06544	0.3
77.75011	0.1
79.05501	1.4
81.07041	0.5
85.92755	0.1
85.93295	0.1
91.05478	1.3
93.07053	0.2
95.04981	0.2
103.05484	0.1
105.07021	0.7
108.04462	0.1
109.06522	2.3
111.08064	0.3
111.36285	0.1
115.05429	0.6
117.07037	0.7
119.04960	0.3
119.08571	0.2
121.06491	0.4
128.06247	0.7
129.07002	4.2
130.07800	0.1
131.04921	1.2
131.08569	1.3
133.06493	0.3
135.08061	0.4
137.05959	0.1
138.30350	0.1
141.06944	0.8
142.07773	11.4
143.08621	0.6
144.09315	0.4
145.06523	0.3
147.08034	0.4
155.08574	0.9
157.10129	5.4
158.07246	0.3
158.10829	0.3
159.08028	1.6
159.11682	0.4
161.09669	0.1
169.07576	0.2
173.09572	0.2
174.10394	0.9
189.12737	100.0
190.13075	3.1
265.93811	0.1
401.26807	0.1
472.17459	0.5
472.26910	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	472.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.3
69.29935	5.2
70.06580	1.6
79.05516	2.2
80.05000	1.6
81.07061	1.3
94.06565	1.9
96.08132	2.6
105.07005	1.5
108.16511	1.0
110.09657	2.1
122.09660	3.1
127.69062	1.1
134.09660	1.6
136.11241	11.5
138.12825	1.8
148.11241	1.2
150.09129	1.4
150.12827	1.7
153.05234	4.1
162.12779	4.1
164.14386	1.2
168.10353	1.3
201.08792	1.3
207.13852	1.7
213.16281	1.3
234.14876	1.8
236.16434	2.5
248.16483	1.3
266.15225	3.5
276.19287	1.3
278.20929	1.8
294.20517	1.2
298.17798	7.8
314.75140	1.0
356.71695	1.2
364.18857	1.9
372.21918	1.4
396.21463	30.7
397.21927	2.7
398.23044	6.9
428.24051	10.3
440.20425	72.9
441.20776	4.5
472.27777	100.0
473.28305	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	472.2545
Annotation	Glucolanomycin
Peak:m/z	Relative Intensity
55.01865	2.8
55.05511	11.3
57.03425	0.6
62.86101	0.4
67.05506	0.7
69.03429	7.1
69.07066	1.9
69.46206	1.5
69.46606	0.8
70.06564	0.4
70.14070	0.4
71.05009	0.5
71.19054	0.4
79.05485	2.3
80.05019	0.6
81.07049	2.3
83.04979	11.5
83.08624	1.9
84.08134	0.6
86.09702	1.3
87.04469	1.0
89.63428	0.5
93.07056	0.8
94.06599	1.1
95.04976	1.0
97.06531	3.4
97.10165	2.3
99.04463	1.3
100.11249	0.6
105.07044	0.5
107.08588	2.6
109.06522	0.8
111.08102	1.2
115.03921	0.6
122.09717	0.7
125.05996	7.1
125.09633	46.4
126.09985	0.7
135.08086	0.5
139.63596	0.5
150.09131	2.7
152.10669	0.9
152.31071	0.4
153.09103	34.6
154.09459	1.4
164.10736	2.7
168.10228	1.1
171.10159	6.9
182.11823	1.1
192.10147	2.3
202.12325	0.9
204.83188	0.5
210.11331	0.9
220.13313	7.5
238.14375	2.4
248.12793	1.2
266.13882	5.5
284.14923	2.5
288.40732	0.5
292.18930	0.8
302.15982	1.2
338.19705	1.7
380.20737	1.7
408.23840	0.7
415.99600	0.5
418.22491	0.5
426.24762	0.5
436.23572	2.2
454.24402	10.4
455.25018	1.2
472.25415	100.0
473.25848	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	472.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99973	0.4
55.01872	3.8
55.05259	0.8
55.05513	12.7
60.72366	0.4
62.93462	0.4
67.05499	1.1
69.03432	8.8
69.07059	1.2
69.71646	1.1
70.06587	1.0
71.04984	1.3
75.52644	0.4
79.05473	2.4
80.05032	0.6
81.07052	3.2
83.04983	13.2
83.08614	1.1
84.08154	1.0
86.09709	1.8
87.04465	1.9
93.07083	0.7
94.06555	1.2
95.04980	0.9
96.08150	0.6
97.06527	4.3
97.10165	2.1
98.22676	0.9
99.04451	0.6
100.11249	0.6
107.04967	0.5
107.08605	2.8
111.08094	1.0
122.09682	1.1
124.07597	0.5
124.11182	0.5
125.05991	6.9
125.09633	44.9
126.09947	0.8
135.08090	1.0
136.11209	1.4
137.05927	0.6
140.13972	0.5
150.09152	3.0
150.12798	0.6
152.10703	1.7
153.09108	35.5
164.10736	2.0
166.08702	0.7
168.10197	1.0
171.10175	5.5
177.19537	0.4
182.11832	0.9
188.95816	0.6
192.10191	3.4
202.12294	1.1
210.11316	1.2
220.13332	8.6
238.14426	1.9
248.12816	1.2
266.13840	5.7
280.03033	0.5
284.14941	2.0
292.19055	1.8
299.89481	0.5
302.15982	2.2
312.88339	0.5
322.16504	0.5
338.19498	0.8
380.20667	2.1
390.23013	0.7
408.23703	0.8
436.23312	2.5
454.24377	10.9
472.25412	100.0
473.25900	4.8
473.40634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10054	0.4
55.74717	0.4
56.05036	0.8
67.05516	1.0
69.03432	1.0
69.29946	2.1
70.06602	1.7
79.05516	1.0
80.05046	0.9
81.07078	0.8
82.06588	0.6
84.08133	0.8
85.02908	0.4
86.09704	3.0
91.05462	0.6
94.06585	0.5
95.08598	0.5
96.08126	1.1
97.02921	0.6
97.08955	1.2
98.22598	0.5
105.07056	1.0
108.08144	0.8
110.09715	1.7
115.53551	0.4
117.07039	0.5
117.07904	0.5
119.08596	0.4
120.08102	0.8
122.09682	2.2
123.04470	0.8
124.11259	1.4
125.05991	0.5
134.09654	2.0
135.08076	0.4
136.11208	8.0
138.12851	1.3
145.10129	0.6
148.11255	0.6
150.09171	0.9
150.12825	1.3
151.13602	0.6
155.08542	0.6
160.11310	0.8
161.09637	0.5
162.12776	2.6
164.14401	1.1
168.10245	1.0
169.10246	0.4
173.09711	0.5
176.14430	1.5
182.11760	0.6
190.15968	0.8
192.17508	1.0
198.12802	0.5
204.17543	0.6
216.14018	0.7
222.15010	0.7
234.14944	1.5
236.16478	3.0
250.18022	0.6
264.19583	2.3
266.15277	0.4
274.18137	1.6
276.19589	2.7
278.21259	1.8
286.17941	0.7
288.19690	0.9
298.17783	0.8
300.19659	1.0
302.21033	2.5
372.21899	1.7
396.21506	4.6
398.23227	4.8
428.24350	1.5
440.20416	10.6
441.20779	0.6
444.27679	0.9
454.25974	1.0
472.27084	100.0
473.27255	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	472.2696
Annotation	Memnobotrin B
Peak:m/z	Relative Intensity
50.77760	0.3
56.05043	0.6
67.05512	1.0
69.03438	0.7
69.18314	2.0
70.06607	1.7
79.05503	1.1
80.05012	0.8
81.07053	0.7
82.06555	0.4
84.08138	0.7
91.05500	1.1
93.07066	0.9
94.06577	1.1
95.08595	0.4
96.08142	1.5
97.08897	0.5
102.78510	0.3
105.07040	1.0
107.08598	0.7
108.08121	0.8
109.08843	0.4
110.09682	1.1
111.04471	0.3
117.07032	0.5
119.08620	0.6
120.08111	0.9
122.09673	2.1
123.04447	0.6
124.11284	1.0
125.06057	0.3
129.07033	0.5
131.08647	0.4
133.10201	0.4
134.09680	1.1
136.11203	7.0
137.11925	0.4
138.12814	0.5
143.08572	0.6
145.10149	1.0
148.11241	0.9
149.02232	0.3
150.09201	1.4
150.12764	2.0
151.13647	0.7
155.08588	0.4
157.10193	0.4
162.09155	0.4
162.12766	2.3
164.14337	1.5
168.10277	0.7
169.10057	0.3
173.09645	0.6
176.14365	0.8
181.10165	0.5
182.11836	0.7
183.11794	0.5
184.13391	0.4
187.84967	0.3
190.16013	0.7
190.73416	0.3
191.10765	0.4
195.11469	0.4
224.73965	0.3
230.15761	0.4
232.33762	0.4
234.14932	0.9
236.16380	1.7
248.16518	0.3
264.19409	0.5
274.18115	0.9
276.19647	0.9
278.21292	0.4
291.51123	0.3
298.17886	1.5
302.21188	0.8
332.18677	0.4
372.21539	1.8
396.21408	4.0
398.23254	12.0
399.23395	0.4
416.28024	0.4
426.26318	0.5
428.24246	1.5
440.20392	9.4
441.21002	0.4
444.27722	0.9
454.25754	2.1
472.27057	100.0
473.27377	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	472.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
55.05506	4.9
57.07073	3.2
59.04996	6.5
67.05518	9.7
68.05032	5.6
69.03432	3.0
69.07061	16.6
74.02442	63.5
79.05484	8.4
81.03441	2.6
81.07050	9.3
83.08624	3.3
86.06068	29.5
91.05495	7.2
93.07051	10.5
95.04977	3.5
95.08622	6.8
96.04491	100.0
97.02873	9.1
97.10184	5.0
98.97650	2.1
105.07038	3.3
107.08582	5.6
109.10149	6.6
114.05524	36.7
115.33018	2.2
116.44595	1.9
118.00749	1.6
119.08594	7.8
121.10148	6.1
123.08073	2.0
131.33325	1.7
132.06572	34.7
137.09642	6.6
139.11182	5.0
141.90137	1.7
142.04993	27.9
142.05988	2.4
149.13309	2.0
160.06052	43.9
161.13234	2.3
165.12767	2.9
178.07088	30.2
249.22145	1.9
277.21609	24.3
295.22635	24.1
379.19687	2.8
408.27435	14.8
411.22067	5.5
423.22284	2.7
426.28680	5.6
431.34903	1.9
436.26868	2.0
454.28250	4.0
455.24896	4.2
472.15118	3.3
472.22461	3.9
472.29114	62.8
473.29120	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
55.01873	8.1
55.05512	17.5
57.03442	19.6
59.04995	7.3
59.79056	2.6
67.05159	5.3
67.05510	93.1
69.03452	3.4
69.07087	2.7
70.19694	2.9
71.04996	9.4
79.05498	14.3
81.03423	6.7
81.07059	21.3
83.01353	5.9
83.04993	8.1
83.08627	11.3
85.02939	6.3
85.06496	3.1
90.99126	2.5
91.05482	12.4
93.07047	20.6
95.04990	4.2
95.08630	8.0
97.06528	8.8
105.07057	7.6
107.04973	6.1
107.08611	9.9
109.06528	5.0
109.10165	75.6
109.10896	4.6
111.08061	5.3
116.68163	2.5
117.07049	6.4
119.08575	9.9
121.10114	4.1
123.08105	7.1
135.08038	2.4
135.11707	8.8
137.09668	4.3
145.10106	12.2
148.87527	2.4
149.38071	2.6
155.10687	4.9
163.11198	17.0
173.09595	3.3
173.11731	28.4
209.11760	6.7
222.10201	2.7
227.12717	5.3
229.14363	98.8
283.15405	100.0
358.51965	2.6
437.19550	5.4
437.25391	79.1
438.25674	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	472.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05516	3.2
57.03440	5.6
57.07073	0.9
57.86460	0.2
58.06602	27.0
58.15926	0.2
59.07384	9.4
60.08167	8.6
67.05505	2.2
69.07068	3.1
69.73603	0.7
71.08643	0.4
73.02928	0.9
74.97221	0.2
75.04485	3.2
75.46462	0.2
79.05509	0.8
81.07064	2.5
83.08636	1.8
83.09069	0.3
84.08170	0.6
85.02906	2.1
85.10195	0.2
86.09713	0.2
87.04467	4.7
91.05482	0.2
93.05511	0.5
93.07038	1.3
95.08608	1.7
97.06529	0.4
97.10181	0.8
100.11225	0.3
103.03934	0.8
105.05537	1.2
105.06138	0.2
105.07028	0.3
107.08597	0.7
109.10174	0.6
113.06023	0.8
119.69660	0.2
121.10149	0.6
123.11796	0.2
130.08589	0.3
131.07069	1.9
135.11705	0.5
136.93111	0.6
144.10202	8.5
154.94180	0.4
159.06566	0.5
162.11269	4.1
172.95251	0.4
200.12740	0.6
210.96779	0.2
218.13933	0.7
228.97781	0.2
236.14929	100.0
237.15242	2.0
268.66547	0.2
311.25937	0.4
318.18356	0.3
336.19171	0.3
399.31180	0.3
410.36365	0.6
454.35287	21.4
455.35483	1.3
472.18796	1.3
472.36343	68.5
473.36682	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	473.1577
Annotation	Tricuspidatol A
Peak:m/z	Relative Intensity
65.63982	2.5
71.46731	2.8
98.97512	2.6
100.07581	3.5
100.11239	4.1
123.04382	6.3
137.05907	3.5
151.07489	4.7
287.72079	3.5
297.15173	3.0
346.13577	9.9
362.69522	3.1
379.65652	2.7
455.18430	10.4
472.26819	5.5
473.15491	100.0
473.25772	22.6
474.16132	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	473.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	1.2
55.05515	17.9
57.03445	6.6
57.07075	8.3
67.05509	12.4
69.07069	22.9
70.02615	1.9
71.08635	5.5
73.07916	0.5
79.05509	4.9
81.07060	15.6
83.08624	16.2
83.59823	0.6
85.06528	0.9
85.10180	2.0
91.05484	1.4
93.07050	9.6
95.04940	0.8
95.08604	13.8
97.06519	1.5
97.10165	7.9
100.71763	0.6
105.07042	0.6
107.08600	6.6
109.10139	5.4
111.08069	1.6
111.11741	1.7
111.23538	0.7
114.86261	0.6
121.10146	7.2
123.11722	1.6
125.09648	0.7
134.98190	100.0
135.11707	3.8
149.13261	1.3
152.99162	0.7
176.00894	1.4
209.01819	1.9
265.25232	1.1
307.34369	0.8
339.28949	42.4
340.29288	1.0
361.27139	8.6
385.59152	0.7
473.26428	79.0
474.26691	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08390	0.7
53.03956	0.8
54.43271	0.7
55.05520	3.3
55.78725	0.6
56.79511	0.6
56.96291	0.7
56.96569	9.8
57.03424	1.4
57.07071	1.2
67.05499	6.1
68.61857	0.6
69.07079	4.1
69.11094	4.3
71.95847	0.6
79.05485	6.7
81.07058	27.1
82.02946	1.2
83.08616	1.3
83.87279	0.6
84.04526	1.4
91.05483	4.6
93.07041	5.9
95.04958	0.9
95.08604	5.4
97.10180	1.1
97.96799	1.4
98.98451	0.7
100.03975	2.6
102.92630	2.7
105.07037	7.5
107.08599	47.3
108.08941	1.1
109.06542	1.4
109.10168	2.5
110.02387	1.4
110.97615	1.2
111.33767	0.6
117.07067	0.7
118.92073	4.8
119.08579	6.1
121.06508	1.4
121.10147	4.2
123.08096	1.0
123.11693	5.3
128.98640	1.2
131.08542	1.1
133.10086	3.5
134.98209	1.9
135.11684	4.8
136.03954	2.0
136.93121	28.8
136.94046	11.4
137.13295	0.8
143.08568	0.8
145.10127	4.9
147.11693	2.9
149.13252	1.4
149.32256	0.7
150.01857	1.3
154.94173	54.4
157.10147	1.9
159.11781	1.0
161.13293	2.8
163.14877	1.7
170.04462	1.7
172.95247	58.6
175.14822	1.2
177.95830	3.5
182.04518	2.3
185.09599	2.1
187.11118	1.1
187.14824	1.1
189.16414	1.1
190.96288	17.2
192.95813	1.9
195.96880	6.1
196.06107	1.5
198.96928	0.9
203.51839	0.7
210.96793	17.0
212.98444	2.2
213.09114	1.4
213.97903	1.6
214.03392	3.3
214.96291	0.9
215.17880	1.0
222.07533	0.8
226.07120	1.3
228.97858	23.3
229.19482	0.9
230.99522	1.0
231.10455	0.8
231.21078	11.3
233.98441	1.9
238.07047	0.7
244.13315	1.2
246.99022	4.0
248.09245	2.4
251.99458	1.9
292.11865	1.8
294.13257	1.4
301.70462	0.7
314.13864	34.1
315.14102	1.3
319.19427	22.4
320.19904	0.9
325.43188	0.7
332.15128	0.7
335.18951	1.5
337.20523	26.8
337.27301	2.8
338.21097	0.8
339.28275	0.9
342.16806	0.8
355.21664	1.0
360.18033	0.9
360.22070	4.7
392.98245	0.8
399.16135	3.3
417.17612	1.3
438.26367	2.9
455.18729	22.6
456.19409	1.2
456.27444	5.1
473.19809	100.0
474.20288	7.4
496.21402	8.9
497.21664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
54.33516	0.7
55.01844	3.1
55.05511	43.6
56.71855	0.8
57.03437	23.5
57.07076	35.4
57.26002	0.8
59.02691	0.9
59.04992	1.0
65.03926	1.0
67.05503	55.3
68.05821	0.8
69.03423	1.2
69.07067	65.2
69.41174	1.2
69.41585	2.9
71.04992	3.7
71.08631	24.3
72.74206	0.7
73.06535	1.9
73.10767	0.8
75.04487	5.1
79.05057	1.5
79.05491	22.8
81.07057	70.7
83.04994	4.4
83.08616	50.3
85.06512	3.1
85.10183	11.1
91.05475	4.3
93.07042	33.3
95.04956	1.6
95.08604	73.0
96.08926	1.4
97.06528	16.0
97.10166	31.7
98.22595	0.7
98.98447	0.9
99.08076	2.1
99.11722	1.5
101.05982	3.1
102.75263	0.7
105.06994	2.1
107.08595	23.1
109.10148	33.5
110.10451	0.9
111.08071	8.1
111.11725	8.7
113.05987	1.8
113.09634	1.5
115.07545	3.2
116.26794	0.7
119.08560	2.8
121.10145	31.9
123.10878	1.1
123.11705	14.3
125.09637	9.5
125.13229	2.3
129.09094	2.7
131.07039	4.0
131.08588	1.2
133.10110	2.7
135.07901	0.7
135.11685	26.5
137.00041	0.9
137.13258	5.7
139.11179	9.5
143.10646	2.0
147.11684	1.8
149.13245	13.5
151.14792	2.1
153.12762	6.8
157.12222	3.4
161.13261	1.0
163.14828	8.9
165.16379	1.8
167.14281	4.6
171.13791	2.6
175.14787	2.0
177.16327	5.0
181.15846	3.6
181.67998	0.8
185.15384	2.1
189.16319	2.4
191.17949	3.8
193.15848	1.8
195.17372	2.7
199.16866	1.7
205.19516	2.2
207.17480	1.6
209.18973	2.0
213.18507	0.9
223.20526	1.8
227.20117	1.3
241.21495	1.1
261.25772	8.3
271.23990	1.2
279.26791	15.4
288.51715	0.8
289.25223	10.0
297.27664	0.9
307.26294	17.2
325.27390	4.8
343.28421	100.0
344.28775	4.5
381.29968	50.2
382.30292	2.5
399.31039	61.9
400.31375	1.8
455.33652	19.6
473.34723	72.3
474.35022	4.1
496.74854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01867	3.4
55.05262	2.6
55.05510	46.0
57.03438	33.3
57.07076	40.3
59.04048	2.1
60.78377	1.9
67.05163	3.8
67.05502	53.0
69.03435	2.5
69.06712	4.2
69.07069	71.8
69.25087	5.9
69.25485	5.4
71.04977	4.7
71.08633	27.7
75.04467	7.7
79.05489	22.2
81.07057	69.5
83.04987	3.8
83.08617	51.6
85.10184	12.0
87.08107	2.5
91.05477	4.2
91.67046	2.1
93.06531	2.5
93.07050	27.7
95.08602	70.3
97.06531	15.1
97.10168	34.1
99.08114	2.4
105.07018	4.6
107.08575	20.5
109.10149	33.3
111.08086	10.1
111.11708	8.9
113.05995	5.7
115.07564	3.5
119.08604	4.0
121.10146	36.0
123.11700	11.5
125.09660	11.3
129.09077	3.1
131.07030	7.1
133.10123	3.1
135.11700	27.1
137.13232	6.3
139.11176	6.3
149.13239	16.3
151.14919	2.8
153.12712	7.1
157.12213	3.4
161.13275	2.9
163.14845	8.8
167.14291	6.5
171.13773	3.0
177.16371	5.7
181.15878	3.2
191.17944	3.4
199.16896	3.5
209.19063	3.1
237.22108	2.4
261.25748	9.9
272.58237	1.9
279.26755	13.3
289.25232	8.9
307.26321	22.3
325.27457	3.8
343.28418	100.0
344.28610	3.4
381.29996	51.6
382.30453	2.9
399.31036	57.4
400.31335	4.5
407.51062	2.6
455.33691	27.3
473.34756	58.9
474.35056	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	473.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05263	2.4
55.05512	32.7
57.07081	11.8
65.03943	2.9
67.05505	66.6
69.07068	48.1
69.70680	6.3
71.08636	7.2
79.05486	10.3
81.07060	97.8
83.08624	39.9
84.08170	1.5
85.10178	2.5
91.05459	2.8
93.07040	8.0
95.08606	100.0
97.10170	46.8
98.23476	3.1
107.08601	7.5
109.10155	54.9
111.11708	23.0
115.37943	1.7
118.76962	1.6
121.10137	7.2
123.11694	27.4
125.13266	6.7
135.07924	1.8
135.11720	5.1
137.13232	10.9
139.14795	2.6
139.28044	1.5
145.10175	2.7
149.13281	4.5
151.14815	5.7
163.14914	2.1
165.09056	3.0
165.16324	3.3
179.18013	1.6
205.12224	4.0
212.27931	2.1
223.53954	1.9
230.40147	2.2
235.24188	2.7
263.21045	2.0
331.33533	2.5
345.35159	3.1
401.41425	54.6
419.42450	18.2
473.34714	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	474.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61512	0.9
53.03957	3.4
55.01879	3.7
57.03450	4.6
61.02932	9.7
64.96768	0.9
67.05505	1.1
69.03430	28.1
69.82684	2.4
69.83061	1.4
71.04987	3.5
73.02923	10.1
80.05032	2.2
81.03426	19.5
83.01365	1.1
84.08110	0.8
85.02909	100.0
86.03268	1.0
86.06077	0.9
86.09700	2.0
87.04470	17.6
91.03961	8.0
95.04993	1.6
95.08629	1.0
96.94539	0.9
97.02261	1.4
97.02895	29.5
99.04454	6.6
103.03953	1.7
107.04892	1.0
109.02872	12.5
109.06514	1.2
115.03935	51.7
127.03918	45.1
127.04873	1.8
127.07659	0.9
128.04326	0.8
133.04976	23.9
142.12384	1.2
145.04964	75.9
146.05365	1.0
154.03235	0.8
163.06017	7.9
166.08644	0.9
187.05995	1.6
200.03793	2.2
241.06943	1.4
256.47162	1.0
259.08124	13.9
277.09024	5.2
296.01855	1.0
312.18237	1.9
312.21756	2.3
313.12064	4.6
323.81485	0.9
456.25247	1.2
474.16199	1.7
474.27570	10.8
475.18079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40805	0.8
53.03939	3.5
55.01869	3.5
57.03439	4.7
61.02925	9.3
67.01060	0.9
69.03429	28.2
70.06589	1.5
71.04990	2.7
73.02911	9.1
80.05007	0.8
81.03422	17.7
81.07030	0.8
84.04541	0.9
84.08134	1.2
85.02906	100.0
86.09702	3.5
87.04464	14.8
91.03958	8.8
91.05492	1.3
97.02892	26.5
97.06558	0.9
99.04484	6.4
103.03934	1.3
107.04967	1.8
109.02876	11.6
111.04501	1.0
115.03931	53.7
123.04468	0.8
124.09207	0.9
127.03915	46.8
133.04973	22.6
137.05998	0.9
138.09125	0.8
139.03871	1.2
142.12282	2.1
145.04962	85.0
146.05156	0.9
163.06053	7.4
180.06514	1.5
187.06038	1.9
198.07687	1.5
198.11227	1.0
200.03609	0.8
241.07076	2.0
259.08060	15.0
276.19644	1.4
277.09088	7.5
294.20566	1.0
312.18127	1.6
312.21628	1.3
345.53912	0.8
474.15692	2.0
474.21390	1.4
474.26749	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	474.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01870	2.2
55.05512	2.2
57.08616	1.2
63.79594	1.4
65.03947	3.1
67.01861	1.6
67.05489	3.6
68.05030	1.8
69.03430	6.8
69.99392	2.9
71.04978	5.8
79.05483	1.9
80.05027	1.7
81.07043	1.6
83.01340	2.1
83.04974	13.8
85.02895	1.8
91.05492	1.5
93.03400	2.4
93.07022	2.2
94.06592	1.6
94.23000	1.4
95.04986	1.8
97.06507	1.8
99.04456	11.3
110.09737	1.4
121.02843	2.7
125.05994	18.7
127.03900	18.9
146.05962	2.7
148.07582	1.4
151.03816	2.3
153.05449	9.8
155.03383	11.6
160.07616	1.5
164.07074	1.6
165.05525	1.5
168.06619	3.9
168.08081	1.3
170.09679	1.6
172.07608	2.6
174.05453	1.5
181.04953	4.7
185.08356	1.4
186.09085	2.6
188.07079	4.0
188.10611	1.5
192.06525	1.9
193.07352	1.4
194.08101	7.8
198.09113	3.0
199.06017	2.9
202.08595	1.8
204.06461	2.9
212.10654	2.1
214.08623	1.7
216.06589	8.5
216.10173	1.3
220.09651	16.0
226.04994	2.4
226.08551	1.7
228.10149	1.4
230.11800	3.8
232.13406	1.4
238.08685	1.9
240.06479	1.7
240.10201	3.3
242.11649	2.2
244.09575	1.7
246.11243	37.0
247.11774	1.8
248.12872	6.4
252.10283	1.9
256.09656	2.0
258.11237	7.2
260.12881	2.1
264.10037	1.4
268.09641	3.6
270.11298	1.8
272.08981	1.9
274.10718	1.5
276.12292	5.6
278.10217	18.0
278.13864	4.1
284.09052	1.8
286.10690	11.2
286.14081	2.5
288.12369	2.8
292.11792	18.5
293.12460	2.3
294.13431	11.1
296.09140	2.0
296.12750	2.8
297.09750	1.4
298.10831	3.0
298.14069	1.8
300.15823	2.1
302.13708	1.4
307.14133	4.3
312.12387	1.4
314.10248	10.5
315.10947	15.9
316.11774	2.8
318.13486	1.9
320.14993	1.5
326.13843	3.3
328.15308	4.1
330.13324	5.1
333.24234	2.6
340.11453	1.6
344.14844	1.6
346.12790	11.0
354.13281	3.3
360.18188	8.9
366.13425	1.7
370.12546	2.3
372.14407	7.0
386.16006	2.3
398.15884	5.8
400.13708	3.6
404.17114	13.5
414.15295	8.1
424.13562	1.4
428.17191	2.7
442.09177	2.4
442.14984	32.2
446.18173	2.8
456.16599	2.9
474.17468	100.0
475.17987	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	474.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.74441	1.2
54.44407	0.9
55.01873	3.8
56.67931	1.1
57.03442	5.3
61.02925	5.5
64.82606	1.0
69.03430	29.4
69.84269	3.4
70.06595	3.1
71.04994	3.4
71.26320	1.0
72.08150	1.3
73.02918	4.6
74.02433	1.3
81.03425	11.4
84.08155	2.9
85.02905	80.9
85.75110	0.9
86.09708	4.2
87.04472	22.3
91.03969	5.1
97.02898	27.0
99.04476	6.5
101.02392	2.7
103.03974	1.9
105.07043	1.0
108.04512	1.3
109.02860	9.3
115.03931	100.0
120.06595	1.6
120.99547	1.0
127.03913	48.3
132.06575	1.2
132.10178	2.2
133.04968	50.7
134.09711	1.1
136.71483	1.1
138.68442	1.5
145.04956	46.9
163.05992	10.6
168.10191	1.1
174.62947	1.0
180.08743	5.9
182.11789	2.2
195.01097	5.8
199.42041	1.1
223.09329	1.0
241.07050	2.6
259.08145	13.4
277.09189	55.9
278.09467	1.3
294.17105	1.1
294.20459	1.7
312.18344	2.7
312.21677	2.3
345.13211	2.0
385.11099	1.3
389.84601	1.1
474.27737	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	474.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
56.96562	18.0
69.77930	4.9
69.78271	2.1
70.06586	5.0
70.24395	1.6
72.08147	6.6
79.05492	1.9
81.03429	2.1
84.04504	2.0
84.08144	3.4
85.02888	3.9
86.08398	1.6
86.09713	13.0
91.05473	2.9
91.74349	1.7
93.64318	1.5
95.08596	2.0
96.08132	2.5
105.07040	4.6
107.08611	2.5
109.02895	2.5
115.03883	1.8
115.68147	1.6
119.08564	8.4
121.10154	1.8
127.03915	2.1
129.10252	1.5
131.04935	2.9
131.08565	2.4
133.10170	5.7
135.11723	1.8
145.04918	2.1
145.10150	2.4
147.11737	2.3
148.07655	1.7
149.13310	2.2
151.14778	1.6
155.08496	2.9
164.14383	2.6
173.09566	4.8
173.13266	4.6
175.14793	14.1
178.05408	2.5
191.10654	2.0
191.14288	14.5
196.06462	2.6
204.03343	1.7
206.04907	3.0
208.16882	2.8
209.04979	1.6
209.15254	1.6
222.04280	2.1
224.05972	13.8
238.07492	3.1
240.05542	4.1
242.06993	7.1
249.08049	1.6
256.08533	2.4
284.95456	1.5
290.10608	2.4
324.12726	3.1
362.14218	2.2
364.60773	1.8
380.15326	10.1
398.16272	10.2
408.25586	1.8
456.17514	8.8
457.84546	1.6
472.88962	1.8
474.18762	71.0
474.95435	1.7
475.19577	2.0
492.19052	100.0
493.19318	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	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01862	1.7
57.03431	0.6
61.02918	1.2
68.99780	0.4
69.03424	4.6
69.07069	0.8
69.13094	3.2
71.04988	0.8
73.02898	1.4
77.03918	0.8
77.34294	0.4
79.05494	2.6
81.03021	0.5
81.03426	5.7
85.02909	11.4
87.00835	5.7
87.04435	0.5
91.05468	0.8
93.07038	0.9
95.04962	1.8
97.02898	6.6
98.23515	0.9
99.04452	2.0
103.05472	0.7
105.01857	4.2
105.07016	0.7
107.04977	4.1
109.02879	5.5
114.13051	0.4
114.78867	0.4
117.01843	0.6
117.07024	0.6
121.06506	0.8
123.04429	2.1
127.03026	0.8
127.03916	11.6
129.01848	1.0
130.07730	0.5
133.06485	1.0
135.04408	7.5
135.08051	1.0
136.11176	0.6
137.05963	3.5
145.04955	6.5
145.06195	0.7
145.06531	0.7
145.10117	1.7
149.05981	19.8
149.09628	0.7
153.05470	7.9
155.08507	0.5
158.07227	0.8
159.02888	4.4
162.15292	0.4
173.09618	10.2
176.08330	0.5
189.09070	0.5
191.10666	100.0
192.10992	3.1
199.82010	0.5
213.04002	0.8
227.10669	0.6
231.05017	2.7
243.06535	0.5
299.12717	1.0
359.75497	0.5
362.85464	0.5
420.82709	0.4
459.58011	0.5
474.21564	0.7
474.28162	2.2
476.64240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
71.46285	0.4
79.05499	0.5
83.51913	0.3
85.02925	0.4
91.05493	1.0
105.07033	2.3
115.05456	1.2
117.07016	2.3
122.02749	0.5
123.05024	0.3
127.03902	0.5
128.06244	0.5
129.07005	2.1
130.07779	2.4
131.04883	0.6
131.08553	0.5
132.05666	0.3
135.04419	0.4
137.05974	0.3
143.08585	0.6
144.05673	0.8
145.06483	2.5
145.10130	5.9
149.05988	0.4
153.06992	2.0
154.07753	1.2
155.08551	73.6
156.08879	2.4
157.06508	0.5
158.07266	17.1
159.07582	0.4
171.08035	0.3
173.09616	100.0
174.09956	3.6
183.09221	0.3
191.10660	22.8
192.11009	0.8
284.09726	0.3
418.21991	0.9
423.69720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74393	0.5
52.07776	0.4
53.03947	2.6
55.01870	2.4
56.96571	0.8
57.03430	1.7
61.02921	1.6
68.99790	0.9
69.03436	8.0
69.34039	0.8
69.34439	1.6
71.04988	1.7
73.02919	2.9
73.44132	0.4
79.05491	1.9
81.03419	9.7
83.01347	0.5
85.02905	22.5
87.00825	8.2
87.04434	0.5
91.03956	0.7
95.04936	0.6
95.08602	0.5
97.02895	7.3
98.97582	1.4
99.04462	5.7
105.01861	6.1
105.07055	0.5
107.04951	3.4
107.08586	0.6
109.02879	9.9
116.98618	0.8
117.01839	2.0
121.06490	1.0
121.10165	0.8
123.04427	0.8
127.03915	19.4
129.01828	1.1
133.06511	1.4
135.04416	4.2
135.08049	0.9
137.05977	3.6
145.04959	10.8
145.10103	1.5
147.02895	1.0
149.05981	15.6
149.07188	0.7
149.09641	0.8
150.06310	0.6
153.05461	6.0
155.08577	0.9
158.07237	0.9
159.02884	8.4
173.09624	9.4
175.11157	0.6
191.10669	100.0
192.11070	2.5
196.13278	0.6
209.15401	0.8
210.14922	1.7
213.03841	0.9
215.29591	0.4
227.16277	0.6
231.04979	4.6
249.06039	0.6
284.04346	0.5
288.81708	0.5
299.12717	0.5
308.06357	0.5
315.11118	0.6
419.97031	0.5
439.15778	1.6
451.14667	2.1
474.18222	8.1
474.28159	1.6
475.32391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
53.58664	0.3
55.01871	0.6
55.05500	0.4
57.03426	0.4
67.05504	0.4
67.94482	0.2
69.03424	1.6
69.07059	0.3
69.36434	0.5
69.36829	0.9
70.06584	0.3
71.04961	0.4
73.02918	0.3
77.03928	0.5
79.05106	0.3
79.05503	3.1
81.03423	0.8
81.07042	0.7
85.02918	3.5
87.00844	1.0
91.05482	1.2
93.07042	0.9
95.04966	1.7
95.08611	0.3
96.08143	0.3
97.02901	2.1
98.23421	0.5
99.04470	0.6
103.05454	0.8
105.01876	3.1
105.04528	0.7
105.07023	1.2
107.04956	6.6
107.08607	0.6
108.04428	0.4
109.02866	2.3
109.06539	0.3
115.05515	0.3
117.06995	0.7
119.08637	0.3
121.06517	2.8
121.10149	0.5
123.04453	0.7
126.70944	0.3
127.03922	4.2
129.07094	0.3
130.07755	0.4
131.08589	0.6
133.06503	1.8
133.07365	0.3
135.04422	8.2
135.08029	1.0
136.04707	0.3
136.11255	0.6
137.05974	4.8
143.08516	0.3
145.04979	2.6
145.06467	0.3
145.10129	2.6
147.07990	0.4
149.05980	23.3
149.09618	0.9
150.06296	0.6
153.05472	10.7
155.08568	0.7
158.07301	0.8
159.02914	0.7
161.06010	0.3
161.09584	0.4
163.11179	0.8
167.07069	0.5
173.09630	12.4
176.08337	0.6
191.10670	100.0
192.11012	3.0
203.97878	0.3
209.11633	0.6
231.05074	1.8
248.07668	0.7
249.06186	1.3
258.11288	0.4
278.10129	1.5
284.09760	2.8
286.10696	0.8
292.11765	1.3
400.24915	0.4
474.17044	1.3
474.28857	5.4
475.33157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.79120	0.6
57.03179	1.3
57.03440	14.5
57.07075	25.1
64.22652	0.8
69.11938	4.4
73.02915	1.9
77.03928	1.6
79.05486	7.0
85.02902	5.8
85.06541	22.5
95.01321	2.0
95.04961	4.5
103.07591	9.9
105.03393	78.2
105.04539	2.2
106.03725	1.2
113.02375	3.1
123.04432	12.9
137.40135	0.6
140.10741	0.7
141.01822	3.0
146.19547	0.8
159.10167	100.0
160.10477	1.7
179.07033	93.3
180.07394	1.9
182.42363	0.6
192.69041	0.7
195.38452	0.7
197.08177	0.9
261.09656	1.0
263.12793	18.3
279.82169	0.8
281.13913	2.2
335.13312	1.8
355.10068	2.2
474.21051	1.4
474.27704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.212
Annotation	Fiscalin A
Peak:m/z	Relative Intensity
53.03952	0.5
55.01866	0.8
56.30043	0.5
60.70205	0.5
65.54750	0.5
65.76749	0.4
67.05503	0.9
68.05023	0.7
69.03428	12.5
71.05000	0.9
79.05476	1.2
80.05026	0.8
81.07051	11.8
85.02883	1.1
91.05489	2.1
94.06541	2.7
95.04948	0.7
99.04453	4.3
102.98051	0.5
105.05794	0.7
105.07037	4.2
106.06548	3.2
107.08607	1.0
109.06526	3.9
113.06064	0.7
115.05475	1.3
115.07674	0.5
117.07024	2.2
118.71046	0.6
119.08574	1.7
120.08110	1.1
121.06466	0.5
121.10121	0.5
122.09682	1.3
123.07970	0.6
127.03916	2.8
127.80032	0.6
128.06210	4.8
129.07025	1.2
130.07779	1.8
131.04906	0.5
131.08575	1.3
132.08095	2.5
133.06546	1.3
133.08937	0.7
133.10098	0.6
134.09631	1.7
135.08061	1.5
136.07553	1.4
136.08601	0.5
136.11241	1.3
137.05972	13.9
137.09653	0.5
138.09172	0.8
139.03888	0.5
139.07515	1.6
143.08553	3.1
145.06499	1.0
145.09161	0.5
145.10097	3.4
147.08026	0.5
148.07567	3.2
149.05974	0.5
149.09662	1.1
150.08026	0.9
150.09140	7.5
154.08647	1.3
154.40834	0.5
158.07274	1.2
158.09596	0.6
159.08066	0.5
160.07573	7.3
160.08763	0.9
161.05997	1.7
161.09627	0.8
162.09122	3.0
163.07596	1.6
165.09137	1.6
166.08624	6.2
171.08038	5.2
172.08762	0.6
173.09610	4.2
173.13271	0.6
174.09270	0.7
175.07558	1.3
175.11218	2.5
175.14842	0.6
176.08340	1.3
180.10164	5.4
180.11533	0.4
181.08708	0.7
186.09116	0.8
188.10823	0.6
189.09039	0.8
191.14336	3.7
192.10210	2.0
193.08636	2.6
196.13364	0.9
199.07567	2.6
203.10660	4.6
204.10254	0.9
205.12245	3.5
207.06467	2.5
208.09717	0.9
210.11191	1.1
217.08643	4.0
221.11826	0.6
226.10707	7.5
231.10117	3.7
238.10699	21.1
239.11140	0.6
240.12239	4.5
249.11220	20.6
250.11746	0.9
302.13901	1.5
396.18045	2.0
400.17593	4.0
414.19089	12.3
474.21219	100.0
475.21539	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	474.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43456	0.7
67.05500	1.3
69.03429	16.3
69.48525	4.0
71.04986	1.4
79.05489	2.7
80.05016	1.1
81.07059	15.7
85.02890	1.2
91.05489	2.9
93.07056	1.1
94.06554	2.3
95.04943	1.4
99.04485	4.5
105.07022	4.8
106.06575	3.0
107.08563	1.4
109.06491	4.3
113.06033	1.0
115.03918	0.8
115.05397	1.1
117.05794	1.1
117.07047	2.0
119.08576	3.2
121.06538	1.1
122.09662	0.9
127.03920	4.5
128.06203	4.6
129.07022	1.7
130.07777	1.2
131.08556	2.1
132.08066	1.8
133.06516	1.1
133.10120	11.2
134.09631	1.5
135.08057	1.6
137.05983	17.5
137.09656	2.7
138.09120	2.0
139.07555	2.6
143.08557	4.0
145.06511	2.5
145.10136	4.6
147.08102	1.2
148.07593	3.6
150.09164	8.9
153.06905	1.0
153.09131	1.2
158.07285	2.0
158.10931	1.1
160.07567	4.9
160.08772	1.0
161.06020	1.8
161.09686	1.0
162.09149	3.2
163.07585	1.4
166.08650	7.5
171.08046	5.8
173.09663	6.6
173.13278	2.7
175.11278	4.1
176.08394	1.3
177.12732	1.4
180.10114	4.2
189.09166	1.3
191.14285	6.8
192.10196	2.2
193.08609	1.7
196.09732	1.1
196.13382	1.3
199.07574	2.6
203.10709	5.2
204.10201	1.1
205.12253	3.4
207.06563	2.5
209.15369	1.7
210.11339	1.5
217.08667	5.6
226.10703	8.2
231.10210	3.7
238.10710	25.3
240.12238	4.1
249.11224	27.9
250.11787	1.2
302.13953	2.5
312.18188	1.3
396.18152	2.1
400.17615	3.5
414.19077	15.7
424.73199	0.8
474.21255	100.0
475.21732	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	474.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07161	0.3
57.03426	0.4
61.77122	0.3
69.03432	1.5
69.07071	6.2
69.73363	0.6
69.73734	0.7
70.02973	0.3
71.50145	0.3
74.02441	3.4
84.08134	0.6
84.70435	0.2
85.02895	2.6
86.06082	0.3
86.09703	100.0
87.05598	2.7
87.10043	0.8
88.03973	0.6
93.01801	0.3
93.52905	0.3
97.02901	0.8
116.03461	0.8
127.03943	1.3
130.08638	0.4
132.06567	1.0
132.10199	77.5
133.06084	9.3
133.10513	0.8
145.04956	1.1
163.06018	0.4
163.53108	0.3
182.11758	0.3
186.43283	0.3
254.52841	0.3
263.22006	0.3
294.17041	1.4
312.17966	3.3
312.21332	0.4
342.99734	0.3
474.23160	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	474.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50346	0.3
55.01886	0.3
61.39056	0.3
68.78489	0.3
69.03435	1.0
69.07063	1.4
70.33450	0.5
80.11539	0.3
85.02906	2.3
86.09706	100.0
87.10026	0.8
97.02879	1.0
127.03900	2.0
132.10204	83.9
133.10545	1.3
145.04947	1.3
294.16986	0.5
312.17957	1.7
366.08133	0.3
458.39197	0.3
474.23355	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	474.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30337	0.3
53.03950	0.8
55.01861	0.4
55.05495	1.6
57.03413	0.4
57.07063	1.2
65.03915	0.5
67.05493	2.3
69.03421	3.2
69.07061	2.0
69.17902	2.4
71.04990	0.5
77.03960	0.5
79.05489	4.7
81.03404	0.9
81.07059	4.2
83.04966	0.4
83.08589	0.7
85.02901	3.0
85.06508	0.4
87.00822	0.8
87.86384	0.3
91.05477	10.3
93.07037	5.0
94.06552	0.4
95.04952	0.7
95.08602	2.2
97.02878	1.1
99.04446	1.2
103.05460	0.7
105.01861	1.2
105.07024	12.6
107.04977	0.5
107.08588	10.7
109.02880	0.9
109.06524	1.5
109.10166	2.4
111.14805	0.4
115.03887	1.0
115.05415	1.7
116.06209	1.8
117.07016	6.1
119.06079	0.5
119.08576	16.7
121.06470	0.7
121.10136	11.7
123.08057	1.2
125.09603	0.4
127.03935	2.6
128.06227	1.8
128.28575	0.4
129.07011	4.7
130.07805	2.2
131.08563	20.5
133.10123	9.2
134.10608	0.4
135.08037	3.1
135.11676	1.6
137.05962	1.4
137.09583	1.3
141.07172	0.4
142.07722	0.5
143.08560	10.2
144.09337	3.1
145.04910	1.8
145.10117	13.2
146.10382	0.4
147.11678	6.6
148.07596	0.4
149.09613	1.2
149.13264	7.6
150.09114	0.8
156.09367	0.5
157.10078	0.5
158.10901	9.8
159.02919	0.4
160.07632	0.7
161.09758	0.5
161.13214	0.5
161.27554	0.4
163.14769	0.6
166.08644	0.7
171.08098	0.8
173.13251	21.3
174.13603	0.6
175.14819	14.0
179.10625	0.6
191.14302	100.0
192.14624	2.6
193.15846	1.0
197.11708	1.7
198.12039	2.0
199.07542	0.5
203.10715	0.6
205.12233	0.8
209.15378	1.6
217.08606	0.5
226.10718	1.0
231.04996	0.5
231.10132	0.5
238.10727	1.6
240.12436	0.7
249.11176	2.0
400.17584	0.6
414.19226	0.8
474.21143	11.5
475.21619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01868	1.5
55.05518	0.9
55.69022	0.4
57.03440	0.9
57.07070	1.2
61.02919	1.1
66.13997	0.4
67.05502	2.5
68.99783	0.5
69.03431	36.8
69.07068	2.3
69.29259	1.5
70.03749	0.6
71.04981	1.1
73.02925	0.7
79.05486	2.1
81.03417	3.8
81.07058	3.4
83.04986	2.7
83.08602	0.8
85.02404	0.6
85.02905	12.1
85.06538	1.7
87.00836	5.5
91.05476	1.7
93.07053	2.2
93.60506	0.4
95.08601	5.3
97.02888	4.7
97.06532	2.8
98.22774	0.6
99.04440	1.5
105.01878	4.7
105.07029	2.4
107.08592	10.7
108.08929	0.4
109.02876	4.1
109.06521	3.5
109.10160	2.1
111.08110	1.8
117.01874	0.5
119.08595	3.0
121.06496	1.3
121.10146	7.8
123.08073	1.4
123.11716	4.9
125.09635	15.3
127.03932	6.1
127.35966	0.4
129.01851	0.6
131.08588	3.7
133.10149	2.8
134.74783	0.3
135.08057	7.9
135.11699	4.3
137.09628	0.9
143.08563	1.2
144.09412	0.5
145.04965	3.3
145.10153	2.2
147.08023	0.4
147.11696	1.7
149.09619	4.9
149.13283	2.5
150.10358	0.6
151.11154	1.1
153.09106	5.5
153.15092	0.5
156.41487	0.3
158.10909	2.7
159.02878	2.3
161.09595	1.1
163.11169	2.5
163.14825	4.0
164.96371	0.3
165.12759	2.6
173.13266	15.9
174.13501	0.4
176.12045	0.6
191.14313	65.0
192.14648	1.4
204.11740	0.4
209.15370	100.0
210.15733	2.1
231.04997	1.6
334.98962	0.4
362.15408	0.4
453.92310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.84552	0.8
55.01872	2.0
55.05515	3.4
57.03445	1.2
57.07082	0.9
57.62313	0.8
59.04984	1.2
62.37445	0.8
67.05510	3.3
69.03430	100.0
69.07059	5.2
70.03740	1.2
71.04999	3.7
71.46659	0.9
73.02911	1.1
79.05497	3.2
81.03436	3.8
81.07051	4.4
83.05000	1.6
83.08633	2.2
85.02908	10.4
85.06532	1.5
86.06068	1.5
87.00825	3.5
91.05489	4.7
93.07042	3.5
93.76019	0.9
95.04961	1.2
95.08627	5.3
97.02919	4.6
97.06530	2.1
99.04467	2.8
105.01883	3.8
105.07045	6.0
107.04958	2.7
107.08600	14.9
108.08893	0.8
109.02897	2.7
109.06526	2.2
109.10181	1.9
111.08103	1.3
115.03917	1.7
117.07093	1.9
119.08588	10.2
121.06522	2.4
121.10146	13.4
123.04444	1.4
123.08067	3.5
123.11684	1.6
127.03934	7.5
129.07065	1.3
131.08548	6.2
132.40259	1.1
133.10136	8.5
135.08049	6.3
135.11699	14.3
137.09645	1.8
141.49956	0.8
143.08551	1.7
145.04988	3.2
145.10133	5.6
147.11711	3.6
149.06004	2.6
149.09586	5.4
149.13315	2.3
153.05411	1.2
154.08698	0.9
158.07306	1.3
158.10910	2.3
159.02969	1.4
161.09645	1.2
161.13275	1.1
163.07535	1.4
163.11169	14.4
163.14819	15.2
165.09146	2.6
171.11696	1.2
173.09677	2.6
173.13274	11.8
175.11328	0.9
175.14833	10.5
183.06548	1.0
191.10693	15.2
191.14313	70.4
192.14548	1.8
200.30515	0.9
209.15361	4.5
209.19035	0.9
211.11096	0.9
213.03889	1.1
281.40582	1.0
297.84137	0.8
303.00079	0.8
397.57971	0.9
438.27957	0.9
469.92288	1.0
474.14099	6.5
474.24982	3.3
475.15598	2.6
475.32684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01855	0.8
55.05500	1.1
56.05040	0.7
57.03428	1.5
57.55882	0.4
61.02922	1.9
67.05505	7.0
69.03422	6.1
69.07062	0.6
70.06586	5.2
71.01371	0.5
71.04983	1.1
72.08153	1.3
73.02911	1.6
73.10931	0.3
74.06073	0.5
78.68168	0.3
79.05502	1.5
80.05012	1.4
81.03422	1.5
81.07053	2.0
82.06593	0.9
84.08132	2.3
85.02895	5.8
85.06575	0.5
86.06054	0.6
86.09700	1.7
87.04465	1.1
91.05476	1.2
92.73645	0.4
93.07050	1.6
94.06549	1.2
95.08625	1.1
96.08136	1.3
97.02897	2.4
98.06059	0.7
98.22671	0.7
99.04462	0.8
105.07052	1.0
107.08603	1.2
108.08138	1.0
109.02896	0.5
109.10148	2.0
110.09689	1.5
111.08110	0.7
114.05528	0.6
114.09254	0.4
117.07014	0.4
119.08548	0.6
120.08113	0.9
122.09657	2.3
125.06020	0.7
125.09619	0.8
125.41159	0.4
127.03940	1.3
129.10297	0.5
133.10133	0.6
134.09671	1.6
135.08095	0.5
136.11180	1.0
137.11870	0.4
145.05002	0.6
147.10468	0.5
148.11221	0.6
149.09612	0.5
150.09128	3.1
152.10675	0.6
155.08568	1.2
160.11215	0.6
162.09201	0.5
162.12787	0.6
164.14400	0.8
166.08522	0.5
168.10152	4.1
172.11177	0.5
173.09663	1.0
174.12854	0.7
176.14343	0.5
177.05576	0.4
182.11742	2.3
184.13315	0.9
186.11275	0.7
188.14392	0.9
191.10710	1.0
194.15509	0.6
195.01117	0.6
198.12863	1.6
200.12836	1.1
202.15926	1.1
210.02203	1.2
213.68526	0.4
220.16969	4.6
226.12305	1.0
234.14917	0.6
236.16411	0.8
244.13290	4.5
248.16396	0.9
248.20178	0.6
260.16397	0.8
276.19543	5.9
276.22290	0.6
292.19205	1.4
294.20618	26.3
295.21094	1.0
312.21655	23.6
313.22015	1.3
377.18439	0.8
382.22125	1.1
386.24524	0.4
412.21164	0.5
427.58719	0.4
438.19006	1.0
445.98206	0.4
456.19931	4.4
456.25916	5.3
457.20554	0.6
473.72934	0.9
474.21417	6.0
474.26978	100.0
475.15640	0.8
475.21451	0.8
475.27322	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	474.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22367	0.5
55.01880	0.7
55.05510	0.7
57.03436	1.0
61.02932	0.5
61.20966	0.5
61.49175	0.5
63.53162	0.5
63.81417	0.5
67.05521	2.4
69.03436	9.0
69.07069	0.7
70.06595	6.7
71.05003	2.6
71.06928	0.7
72.08157	2.3
74.06089	0.5
79.05489	1.6
80.04994	1.0
81.07058	1.6
83.04990	1.1
84.08158	4.1
85.02915	2.0
85.06557	1.5
86.09710	2.1
87.04510	0.8
91.05468	0.6
91.50555	0.5
93.07040	1.2
95.08612	1.9
96.08114	0.7
97.02878	1.0
97.06485	0.6
99.04451	1.6
105.07051	1.0
107.08598	1.6
109.06511	1.6
109.10159	0.7
110.09666	1.4
111.04458	0.5
111.08082	4.4
121.10144	0.6
122.09676	1.6
123.08070	2.4
124.11241	0.6
125.05950	1.0
125.09631	3.2
127.03854	0.8
129.10226	0.9
135.08080	0.8
136.07619	1.2
136.11235	1.0
139.07619	0.6
145.10172	0.9
148.11212	0.6
150.09175	1.3
152.10747	1.2
153.05450	0.6
153.09122	5.3
155.08560	4.7
158.07336	1.4
162.12801	0.8
168.10204	1.2
173.09618	7.6
176.14485	0.5
177.05582	1.1
182.11826	1.2
183.10217	1.8
184.13345	1.0
189.87985	0.5
193.12358	0.6
195.01135	6.3
198.14917	1.6
220.13371	1.0
220.16962	1.4
221.13768	0.7
222.14767	0.5
234.15007	0.7
236.16492	2.6
244.13326	0.7
248.16545	3.9
250.17987	0.6
262.12711	0.6
276.19702	1.2
278.17584	1.5
294.20645	4.6
306.20697	0.8
308.22400	0.6
312.18268	1.0
312.21680	8.5
322.20105	2.8
323.20554	0.6
336.21689	13.8
350.23734	0.7
352.21164	1.8
354.22803	3.3
366.22745	6.5
380.24210	0.9
384.23834	3.0
394.25970	2.5
396.23914	0.8
410.25424	3.6
412.26996	0.7
424.23486	0.6
428.26337	2.4
438.24747	1.4
442.24158	2.9
456.19904	3.0
456.25989	7.4
468.60263	0.5
474.26984	100.0
475.27283	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	474.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01879	2.7
55.05510	20.5
57.03438	18.3
57.07067	1.7
59.05006	7.3
59.06127	5.1
65.03953	2.9
67.05505	100.0
68.05838	3.0
69.03443	4.0
69.07085	8.0
69.78362	4.8
71.04996	5.5
79.05491	25.5
80.05843	1.7
81.03420	52.8
81.07060	36.0
81.07510	3.0
82.03761	2.6
82.53798	1.4
82.88060	1.6
83.04968	13.0
83.08619	25.2
85.02912	16.9
85.06558	3.3
91.05482	34.6
92.05797	3.9
93.07050	24.0
95.04963	23.9
95.08613	14.3
96.05329	2.0
97.02911	4.0
97.06528	2.8
97.10169	5.0
99.08122	2.0
105.07039	21.4
106.07375	2.2
107.04958	5.8
107.08599	10.3
107.65531	1.7
109.06549	4.1
109.10159	67.0
111.08070	13.6
113.05981	1.7
115.05444	2.0
117.07032	2.7
119.08575	23.0
120.08930	2.6
121.06532	2.5
121.10172	8.8
122.51099	1.5
123.08105	2.8
128.06215	2.0
129.06992	10.9
130.07364	2.5
131.08539	9.6
133.10124	9.6
135.11655	3.0
137.09651	5.9
144.07217	1.6
145.10121	2.2
147.11693	10.2
148.12102	1.6
149.09619	3.5
155.10718	4.7
157.10117	9.7
165.12782	3.3
171.11688	2.4
173.11746	19.8
175.11256	8.6
176.22139	1.9
190.13107	1.9
193.12234	38.8
194.12547	2.1
211.13298	56.8
227.12891	3.0
229.14352	87.0
267.15903	13.3
285.16962	47.9
285.19949	3.2
289.13965	2.3
291.13327	1.8
365.21536	1.8
383.22644	2.6
390.84314	2.0
421.25800	11.5
439.26910	71.2
440.27386	3.9
457.25937	3.4
474.29730	14.6
475.26721	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	474.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06816	1.2
57.07080	17.7
57.65226	0.8
59.31700	0.8
64.29525	0.8
66.47108	0.9
67.45168	0.8
68.05030	2.4
70.02953	12.1
70.26688	1.0
71.01356	9.2
74.02430	2.6
81.07050	1.5
82.02946	1.1
88.03992	13.1
89.02391	5.6
92.49895	0.8
95.08637	0.9
96.00856	21.1
96.01429	1.8
96.04493	40.8
98.02424	17.2
98.23523	1.9
99.00808	7.9
100.03992	3.1
102.41970	0.9
114.05537	3.5
114.69926	0.9
116.03456	2.4
122.02386	10.2
126.01871	21.8
130.01363	3.3
140.03432	52.7
142.04974	2.5
144.02919	73.6
144.10196	5.6
149.09822	0.8
154.08661	2.5
158.04482	8.7
168.02910	7.9
172.02420	13.5
182.08174	2.5
186.03987	8.9
196.09695	46.2
197.09917	1.0
200.09215	7.7
214.10680	6.9
224.09209	2.7
228.08661	6.5
235.62418	0.9
242.10217	12.6
256.15445	4.5
270.17059	4.7
284.15103	1.5
298.16492	71.5
299.16882	1.8
302.15955	2.9
316.17514	2.2
330.92197	1.0
358.22220	52.4
359.22586	1.4
372.23804	81.9
373.24026	2.2
384.12054	1.1
418.24261	2.5
454.83115	1.0
474.30634	100.0
475.31116	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	474.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03435	1.0
57.07077	16.0
68.05026	2.3
68.88000	0.9
69.07061	1.1
70.02959	11.7
71.01350	7.3
74.02470	1.5
76.71037	0.9
79.18726	0.9
81.07058	1.4
81.56334	0.9
87.92186	0.9
88.03992	10.2
89.02393	3.4
89.10316	0.9
89.24797	1.0
96.00854	9.7
96.04492	32.7
98.02415	10.2
98.23482	2.5
99.00829	8.1
100.03976	2.6
109.10124	1.3
110.89889	1.0
114.05526	2.5
116.03453	3.8
122.02409	5.9
126.01862	18.0
130.01379	2.5
140.03427	40.4
142.04980	2.2
144.02921	68.8
144.10262	5.1
144.11150	1.0
154.08676	1.5
158.04471	7.8
168.02899	7.1
170.11711	1.0
172.02432	16.0
175.16647	1.0
182.08102	1.7
186.03976	6.0
196.09691	41.9
200.09154	10.7
214.10767	6.9
224.09128	2.2
228.08649	6.5
242.10214	12.8
256.15402	4.9
263.27795	1.1
270.17059	3.4
298.16498	53.2
302.16071	2.5
316.17566	2.3
358.22220	52.2
359.22800	1.1
372.23819	69.2
373.24411	2.0
401.77597	1.1
418.24219	2.4
474.30624	100.0
475.31281	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	474.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05510	0.9
56.66942	0.2
57.03438	6.2
57.07073	3.7
57.31507	0.2
58.06599	28.8
59.04998	0.3
59.07381	9.4
60.08163	9.4
60.55102	0.2
67.05498	1.6
69.07066	1.0
69.38675	1.0
70.07399	0.2
71.08631	2.4
73.02900	0.9
75.04477	4.0
81.07059	1.7
83.05032	0.2
83.08617	0.6
84.08157	0.6
85.02902	2.5
85.10199	0.9
87.04465	5.1
89.06077	0.2
93.05521	0.6
93.07059	0.3
93.79652	0.2
95.08608	1.7
97.06538	0.2
97.10161	0.3
103.03955	0.7
105.05505	1.0
108.09000	0.2
109.10149	0.5
113.06017	0.7
116.65747	0.2
131.07040	2.0
134.98178	0.9
135.04370	0.5
135.98512	0.2
136.93114	0.3
136.98589	0.7
144.09053	0.4
144.10190	8.0
151.35225	0.2
154.94113	0.3
159.06523	0.2
162.11264	4.5
172.95172	0.5
188.18951	0.2
196.91968	0.2
200.12920	0.4
218.13876	0.8
220.39394	0.2
236.14915	100.0
237.15236	2.0
272.18494	0.2
275.57779	0.2
284.15320	0.2
291.10031	0.2
293.71805	0.2
313.27261	0.3
340.28287	0.3
362.26749	0.3
412.37570	0.5
456.36841	20.4
457.37097	0.9
474.37897	67.8
475.38251	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	474.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.3
55.05485	0.4
57.03440	6.1
57.03711	0.2
57.07076	4.1
58.06601	25.6
58.66831	0.2
59.07384	9.0
60.08164	8.4
67.05515	1.5
69.07034	0.8
70.74071	0.4
71.08632	2.5
73.02884	0.7
75.04089	0.3
75.04478	3.7
79.05499	0.2
81.07065	0.9
83.08590	0.8
83.99554	0.2
84.08119	0.4
85.02905	1.6
85.10180	1.1
87.04473	4.7
93.05490	0.6
93.07014	0.2
95.08604	1.5
101.05971	0.3
102.05480	0.3
103.03937	0.6
105.05477	0.8
109.10122	0.6
113.05985	0.7
123.11651	0.3
131.07018	1.8
134.98117	0.3
135.04387	0.3
144.09058	0.5
144.10194	8.2
154.94101	0.3
159.06433	0.4
162.11263	4.2
169.95175	0.2
172.95157	0.2
173.40544	0.2
180.64565	0.2
200.12936	0.4
218.13899	0.7
236.14922	100.0
237.15277	2.2
313.27277	0.2
365.30203	0.2
369.30243	0.3
412.37875	0.6
456.36841	23.3
457.37109	1.3
474.37915	74.7
475.38297	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	475.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03441	4.0
57.07061	2.1
57.12246	0.4
58.06602	14.9
59.06929	0.8
59.07381	5.4
59.70446	0.4
60.08163	5.5
65.03936	0.5
66.04725	0.6
67.05492	0.9
69.07073	0.9
69.83655	0.6
69.83983	1.1
71.08627	1.7
74.38946	0.5
75.04473	2.1
75.85173	0.4
77.03955	0.7
79.05499	2.6
81.07071	2.6
83.08647	0.8
85.02907	1.2
85.10193	0.8
87.04463	2.7
91.05501	2.3
92.02592	0.6
94.04186	6.0
95.04960	2.0
95.08598	1.4
98.79500	0.5
99.47177	0.5
100.32594	0.5
103.03931	0.5
103.05461	1.8
105.04527	1.2
105.05483	0.8
105.07031	7.7
107.04956	1.3
109.06516	2.4
115.05455	2.9
118.04154	1.2
121.06495	0.5
122.03648	12.1
125.05991	1.3
128.06241	2.2
129.07043	0.6
131.04967	1.5
131.07027	1.4
133.06503	5.6
135.04419	20.1
135.05455	1.2
136.04697	0.6
137.05975	100.0
138.06322	1.7
141.06956	1.0
143.04909	0.5
144.10196	6.1
146.03593	2.8
149.05942	1.2
154.94200	0.7
156.05670	1.0
156.32568	0.6
159.08044	0.7
161.05977	39.8
162.06567	0.6
162.11255	2.3
165.07037	0.7
167.04918	0.8
167.06850	0.6
168.00117	0.5
168.05669	0.5
171.08032	1.8
172.95212	0.5
175.07521	0.7
184.05231	2.9
187.07477	1.3
189.06931	0.6
191.08461	2.8
192.09253	1.6
199.07533	20.1
200.12744	0.5
202.07764	13.0
203.08556	18.8
204.09242	1.8
205.06551	1.6
205.10097	0.6
206.07227	0.5
215.08551	1.1
219.08032	6.2
220.08809	5.2
221.09578	0.8
222.06749	0.8
230.07248	2.2
231.08049	25.6
232.08781	5.3
233.05949	0.5
235.07764	0.6
235.11143	1.9
236.14917	58.7
237.09189	0.5
237.15257	9.4
243.08051	0.8
245.09592	1.2
247.07520	4.4
248.05864	0.8
248.08315	12.0
249.09090	2.1
258.06644	1.4
259.07553	19.7
260.08325	12.9
261.08969	1.4
262.09949	1.3
263.10635	9.8
265.08582	1.4
273.09100	1.0
275.06998	2.0
275.09949	0.5
276.07785	8.1
277.08597	4.2
280.07611	0.5
291.10150	68.9
292.10782	6.7
293.07996	2.0
293.11224	0.5
295.09781	1.0
295.13272	1.8
296.42352	0.5
308.10281	1.3
323.12778	26.0
324.13153	1.1
456.36844	11.2
457.37097	5.3
474.37909	28.9
475.20261	1.5
475.38223	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	475.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.04636	0.3
65.03939	0.5
66.04708	0.6
67.05498	0.4
71.46645	0.3
76.02475	0.3
77.03911	0.4
79.05496	2.8
81.07053	1.7
81.56403	0.3
89.03951	0.4
91.05475	2.7
92.02594	0.7
94.04181	6.0
95.04959	1.8
103.05457	2.3
105.04517	1.3
105.07024	8.7
107.04954	1.2
107.08579	0.6
109.06503	2.7
115.05450	3.6
117.03403	0.4
118.04143	0.8
119.08666	0.3
121.06511	0.6
121.61952	0.2
122.03645	11.7
122.04533	0.6
125.05990	1.1
128.06209	2.5
128.36940	0.3
131.04944	1.4
133.05525	0.5
133.06483	6.2
135.04411	20.4
135.05423	0.8
136.93135	0.4
136.94064	0.4
137.05968	100.0
138.06303	1.2
139.05429	0.4
141.06984	0.8
143.04973	0.4
143.06053	0.6
143.08521	0.4
145.06459	0.5
146.03604	3.7
147.04402	0.8
149.05965	0.6
151.07552	0.5
152.06302	0.3
152.77644	0.3
154.94145	0.9
156.05687	1.3
159.08066	1.1
161.05966	43.7
162.06506	1.1
165.06995	0.9
167.04938	0.4
167.06998	0.7
168.05696	1.1
169.06424	0.5
171.08032	2.1
172.95247	0.7
173.06062	0.5
175.07518	0.8
177.05389	0.4
178.07793	0.3
184.05191	3.6
187.07574	1.3
189.06940	0.7
190.07780	0.7
191.08545	2.8
192.09279	1.6
195.07835	0.3
199.07533	18.7
200.07820	0.6
202.07762	11.3
202.09608	0.6
203.08528	17.7
204.09268	1.9
205.06468	1.5
206.07343	0.5
213.06990	0.4
215.08595	1.4
216.09277	0.3
218.07327	0.7
219.08037	5.9
220.08795	5.8
221.05882	0.4
221.09541	0.9
222.06676	0.4
226.07698	0.3
229.06563	0.5
230.07283	2.1
231.08029	25.2
232.08769	6.5
233.06047	0.4
233.09561	0.9
234.06776	0.3
235.07491	0.5
235.11211	1.4
236.15077	0.6
237.08994	0.6
241.06511	0.6
242.07172	0.4
243.08102	0.5
245.05902	0.3
245.09566	1.0
247.07524	4.7
248.08304	12.0
249.09007	2.2
258.06674	1.9
259.07529	20.5
260.08298	12.6
261.05606	0.3
261.09027	1.3
262.09799	1.3
263.10641	11.8
264.11127	0.6
265.08569	1.1
273.09027	0.8
275.07025	2.6
276.07776	8.9
277.08588	4.3
280.11005	0.5
290.09329	0.6
291.10132	70.0
292.10794	6.9
293.08005	2.3
295.09732	0.6
295.13309	2.8
308.10431	2.1
323.12750	27.0
324.13187	0.9
443.14902	1.5
457.19089	0.4
474.37793	0.3
475.20355	2.1
476.29770	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	475.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.5
53.03939	1.6
55.01877	0.5
77.40461	0.5
78.92405	0.4
79.04350	0.4
79.05520	2.3
79.65172	0.4
91.05502	1.6
92.02628	2.1
93.07053	0.5
95.04979	5.1
102.04674	1.4
103.05462	5.1
104.10709	0.5
105.04529	2.3
105.07061	3.8
107.04978	0.5
109.06558	1.0
115.05462	3.9
117.07039	0.9
121.06505	2.4
122.03597	0.7
125.05991	3.1
130.04097	1.2
131.04939	7.0
133.06493	2.2
135.04425	100.0
136.04782	1.2
137.05998	3.6
146.07271	6.7
147.04391	1.5
147.08043	0.5
149.05969	1.7
151.12302	0.6
161.05991	6.0
162.06767	2.0
163.07585	1.5
168.05656	0.8
177.05479	1.3
184.05357	0.6
199.07570	6.5
202.07784	1.6
203.08516	3.4
204.09300	0.6
219.08080	0.8
220.08714	0.6
231.08092	5.1
232.08893	0.6
240.79745	0.4
248.08354	1.4
259.07483	3.3
260.08298	1.0
263.10751	1.7
276.07901	1.2
291.10199	9.7
292.10742	0.8
295.13345	0.8
305.88803	0.4
323.12695	4.3
443.14948	24.6
444.15286	1.1
457.19720	0.6
475.21960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21947	0.5
60.04554	0.5
70.02948	1.9
70.06579	0.9
74.02441	28.2
86.09699	9.8
87.05592	28.0
87.10040	2.8
88.04001	4.3
97.02904	0.6
116.03455	7.6
132.06514	0.6
132.10208	7.5
133.06087	100.0
133.10558	2.5
134.04471	0.8
152.13586	0.6
158.70981	0.5
310.58807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1941
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
55.92809	0.6
59.61978	0.6
69.66216	1.6
69.66559	1.0
70.06596	1.0
83.01091	0.8
84.01904	1.3
91.05479	22.6
95.01109	2.1
96.01904	0.8
97.02866	0.7
112.01346	1.7
113.02137	2.5
122.24400	0.7
123.04262	0.7
123.22356	0.7
126.02898	1.1
185.04205	3.8
203.05328	3.1
213.12779	2.5
240.94882	0.8
251.10483	2.2
255.13809	25.7
256.14243	1.0
277.12006	1.9
414.16656	2.3
419.19296	0.7
440.06812	0.8
457.18304	5.4
475.19437	100.0
475.33435	3.4
476.19669	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1942
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
60.06309	0.2
63.58261	0.2
69.03424	0.4
69.64991	0.4
69.65371	0.6
76.93882	0.2
81.03416	0.6
85.02918	1.0
87.00806	0.4
91.05502	0.9
93.90932	0.3
97.02903	0.7
98.22725	0.3
105.01879	0.4
109.02885	0.3
118.59000	0.3
121.06461	0.6
127.03935	0.9
141.44281	0.3
145.04938	0.4
149.05995	1.4
159.02858	0.3
185.04184	0.4
201.03740	0.3
203.05347	0.8
212.05919	0.2
212.08192	0.3
227.10645	4.0
237.09225	0.2
251.10535	0.3
255.13893	0.8
313.13934	1.1
341.12198	0.9
384.13901	0.3
431.16818	1.2
457.18356	0.8
475.19421	100.0
476.19742	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01868	4.1
55.05507	5.7
57.03441	5.5
57.07074	1.8
59.05000	1.9
61.02924	2.9
67.05499	4.8
68.99776	1.8
69.03059	1.9
69.03429	26.1
69.07059	4.8
69.52277	1.1
70.06606	1.6
71.04993	7.9
73.02925	3.4
79.05496	5.1
81.03416	13.2
81.07055	14.5
83.04989	3.8
83.08617	4.4
84.08147	1.2
85.02905	47.9
85.06559	5.3
86.09711	1.9
87.00834	19.6
87.04492	2.0
91.05473	7.0
93.07043	11.1
95.04968	66.4
95.08619	10.8
97.02901	15.7
97.06533	26.0
97.07157	0.7
99.04461	22.5
99.08099	5.1
105.01881	20.1
105.07025	18.3
107.08591	16.5
109.02874	12.0
109.06519	40.2
109.10159	13.9
111.08057	5.3
113.09637	1.6
115.03918	4.0
115.07585	11.1
119.08575	11.5
120.47128	1.2
121.06479	1.0
121.10139	23.9
121.18323	1.0
123.08075	7.3
123.11687	4.0
125.05979	2.5
125.09618	5.3
127.03913	28.3
127.07529	2.6
129.01799	1.8
131.08572	9.3
133.10124	43.7
134.10437	1.4
135.08067	8.6
135.11687	4.7
137.09589	1.9
139.11188	3.2
143.08556	1.7
144.09355	1.2
145.04967	10.2
145.10132	4.7
147.11685	33.1
149.09608	5.5
149.13255	6.9
151.07533	1.5
151.11124	5.6
153.09113	34.2
154.09564	1.4
155.08572	2.6
156.08841	2.9
158.10886	2.5
159.02895	4.8
161.09535	1.0
163.06148	1.2
163.11200	2.5
163.14818	7.2
165.12767	7.1
167.14259	1.3
171.10153	6.3
171.11397	1.2
173.09622	9.3
173.13252	23.9
174.09938	8.1
175.11211	1.7
175.14955	2.3
189.04047	1.5
191.14305	41.8
192.14674	2.0
209.15364	100.0
210.15735	2.6
227.16425	80.3
228.16835	2.8
231.05013	4.6
249.06100	1.2
333.18182	3.7
347.19693	6.0
401.14359	1.4
405.11832	1.1
452.94232	1.2
463.60938	1.1
475.24069	9.5
475.32407	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01874	1.7
55.05514	2.1
57.03438	3.5
57.78283	1.3
59.05000	1.5
61.02932	4.5
67.05504	5.6
67.49415	1.3
69.03432	17.2
69.07081	3.9
69.47292	4.9
71.05000	9.4
73.02939	3.5
79.05492	2.6
80.05014	1.4
81.03429	11.5
81.07047	8.6
83.04959	1.5
83.08624	2.6
85.02912	54.7
85.06557	8.1
87.00822	7.0
87.04487	2.0
91.03944	1.9
91.05479	4.4
93.07063	11.8
95.04972	66.6
95.08611	6.3
97.02902	13.7
97.06552	7.7
99.04460	24.3
99.08105	6.2
105.01887	7.7
105.07039	10.2
107.08601	13.9
109.02890	8.7
109.06522	7.4
109.10159	24.8
110.09679	2.0
111.08082	1.9
115.03902	3.7
115.07571	4.1
119.08595	6.5
121.10133	5.8
123.08105	1.8
123.11725	15.6
127.03931	21.8
127.07530	3.2
131.08594	7.6
133.05058	1.4
133.10129	63.2
134.10431	2.5
135.08061	5.5
135.11687	1.8
138.09094	1.7
139.11182	4.8
144.69582	1.4
145.04962	23.5
145.10085	4.3
147.11705	3.1
149.09665	1.9
149.13266	6.4
151.11188	12.8
153.09113	30.9
155.69337	1.4
159.02907	4.9
163.06017	8.0
163.14850	4.5
166.08646	6.1
169.12256	12.3
173.13255	27.1
177.05522	2.3
186.05927	1.4
191.14316	51.6
209.15369	100.0
227.09233	2.0
227.16412	20.1
230.32193	1.7
231.04979	2.7
296.73227	1.6
339.66577	1.4
357.26157	1.5
454.54413	1.6
475.16052	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01855	2.6
55.05514	5.1
57.03421	2.1
57.07055	1.2
59.04995	0.9
61.02907	0.9
67.05501	3.6
68.99764	0.9
69.03436	11.1
69.07072	3.3
69.12010	3.6
71.04984	2.9
72.08163	0.8
73.02934	0.6
73.35848	0.6
74.27193	0.5
79.05473	2.5
81.03436	6.9
81.07056	4.8
83.01345	3.1
83.04978	5.1
83.08598	2.3
85.02911	21.3
85.06526	3.0
86.03271	0.7
86.09705	1.1
87.00833	7.1
87.04439	0.9
91.05475	1.8
93.07043	5.7
95.04952	2.1
95.08621	4.3
97.02898	5.2
97.06535	4.3
99.04466	7.4
99.08102	14.5
101.06026	5.4
105.01879	3.6
105.07021	3.5
107.07922	1.0
107.08591	10.1
109.02890	6.3
109.06525	3.5
109.09483	0.9
109.10150	6.6
111.08110	2.8
115.03944	3.5
116.04242	0.6
117.01806	0.6
117.45544	0.6
119.08541	1.8
121.06489	0.8
121.10152	14.2
123.08060	2.2
123.11697	2.1
125.05989	0.9
125.09638	6.0
127.03918	10.5
127.07491	0.6
131.08592	2.8
133.04962	1.1
133.09189	0.8
133.10129	11.7
133.41336	0.6
135.08060	3.5
135.11685	3.5
137.09622	5.6
137.13235	1.1
139.07529	3.7
139.11154	2.4
145.04951	4.7
145.10115	1.8
147.11649	2.1
149.09627	17.0
149.13225	4.3
151.11179	6.5
153.09128	3.8
155.10677	0.6
158.10913	0.7
159.02846	2.2
163.11275	1.4
163.14835	4.7
165.12791	1.2
167.10709	1.3
167.14316	2.2
169.12230	1.1
173.13260	5.8
174.10020	0.9
181.12260	1.0
181.15903	3.0
181.95650	0.5
183.13799	0.8
191.10690	1.3
191.14323	14.5
192.10976	2.1
195.03261	0.6
199.09679	1.4
209.15373	100.0
210.15678	3.2
215.18973	0.6
227.16415	20.9
231.05067	1.3
251.16411	1.0
259.07956	0.6
278.17685	0.9
429.77469	0.6
475.21555	1.7
475.32578	41.2
476.26468	1.8
476.32602	1.1
493.37827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15801	1.8
57.07074	95.4
61.97144	1.8
67.05503	18.7
69.07058	4.0
69.57706	1.7
71.08633	27.3
81.07050	18.8
84.58504	2.1
85.10184	13.1
95.08597	19.9
98.98471	2.0
109.10144	9.0
112.13976	1.7
120.95779	2.0
120.96642	41.1
127.11196	18.0
155.14267	10.6
165.09087	3.1
172.95229	2.7
237.98112	2.1
243.99052	2.1
339.29242	3.4
355.28397	94.1
356.28690	2.9
377.26636	100.0
474.34918	2.3
475.15359	2.1
475.24194	19.8
499.85263	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51739	1.0
70.15137	1.8
84.28981	1.1
87.56716	1.1
92.00658	1.2
98.22782	1.4
99.27559	1.3
115.71040	1.2
120.08069	1.2
137.05957	1.5
148.11218	1.9
156.02759	1.1
162.09209	2.2
172.11215	1.5
174.09149	3.2
175.09914	6.2
177.07851	1.3
188.10683	2.8
195.06450	1.3
200.10715	4.4
204.10255	2.0
215.00035	1.0
224.82170	1.3
228.13843	1.7
246.14999	1.7
256.13281	3.8
274.14377	90.7
275.14880	3.4
276.16092	1.5
302.13882	76.0
303.14420	3.7
401.28683	1.3
412.17517	1.5
430.18613	100.0
431.19019	3.5
459.95364	1.3
475.13571	4.0
475.32629	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	475.2694
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03942	3.6
55.01876	5.3
55.05256	1.7
55.05513	24.1
57.03431	4.6
57.07075	0.9
59.05006	1.4
65.03949	1.9
67.05505	26.7
69.03425	2.7
69.07063	6.2
70.80982	0.9
71.05004	2.6
77.03919	1.1
79.02181	0.9
79.05496	27.9
79.05954	1.8
81.03417	19.6
81.07057	23.3
83.04977	5.4
83.08620	11.3
85.02908	1.0
85.06548	1.6
91.05484	21.5
93.07049	17.3
95.01334	0.9
95.04970	15.9
95.08622	13.5
97.02877	1.2
97.06533	3.0
97.10169	12.1
99.04458	1.0
103.05482	1.9
105.03416	1.7
105.04546	1.5
105.07019	14.4
107.04958	12.7
107.08601	11.1
109.02869	5.5
109.06532	4.7
109.10159	9.0
111.04470	1.1
111.08100	4.6
115.05463	2.6
117.07022	10.4
119.04957	3.4
119.08591	10.2
121.02887	1.4
121.06519	9.3
121.10136	5.9
123.04461	1.7
123.08060	4.9
125.02341	3.9
125.09635	11.7
128.06258	2.5
129.06999	10.1
131.04951	4.1
131.08580	9.2
133.06470	7.9
133.10103	4.0
135.04430	3.5
135.08064	4.8
135.11691	4.3
137.05988	2.3
137.09615	1.8
141.07025	4.0
143.08566	6.0
145.06488	9.8
145.10104	8.3
147.04431	4.5
147.08047	6.6
147.11684	2.9
149.05975	2.1
149.09656	3.1
153.06973	1.8
153.09125	2.2
153.12778	1.7
155.08568	4.6
157.06519	3.3
157.10109	5.5
158.89131	0.9
159.04430	1.9
159.08041	6.2
159.11732	2.0
160.05217	2.5
161.05978	21.6
161.09660	2.9
162.06657	0.8
163.07637	1.2
163.11234	7.8
165.06963	0.9
167.08673	2.1
169.06534	2.5
169.10155	2.5
171.08032	5.6
171.11736	2.3
173.06029	3.2
173.09604	5.6
173.11778	1.4
173.13260	0.9
175.07559	3.2
175.11208	2.6
177.12831	0.8
179.08495	2.0
181.06593	1.0
181.10167	2.3
183.08086	3.1
183.11696	2.0
184.88379	1.0
185.06052	2.2
185.09669	1.5
185.13239	1.3
187.07578	3.5
187.11185	2.1
189.09148	3.0
189.11247	3.7
191.10704	2.7
193.10388	1.5
193.12177	8.1
195.08122	1.5
195.11792	2.0
197.09587	2.0
197.13348	1.1
199.07550	1.1
199.11188	1.9
201.09192	1.5
201.12770	2.0
203.10577	0.9
203.14336	1.9
205.12347	1.8
207.11722	1.3
209.09778	1.0
209.11624	1.1
209.13368	1.5
211.11115	4.7
213.09166	1.0
213.12798	2.1
215.14595	0.9
221.09706	1.6
223.02557	1.0
223.11153	0.9
225.12804	3.2
227.10736	1.5
227.12825	4.5
229.12285	2.7
231.13779	5.9
233.13341	0.9
235.11259	1.8
237.11153	2.4
239.10693	1.3
241.12363	1.0
243.13792	5.0
249.14920	2.2
253.12227	2.1
255.13905	1.4
257.15222	1.7
269.15460	4.8
271.13303	5.8
271.16550	1.3
272.13794	0.9
273.14844	8.2
285.14856	2.5
287.16400	2.2
289.14328	12.4
299.16324	1.2
303.16010	3.1
323.16498	1.3
327.15958	1.3
337.21609	2.9
347.19986	1.6
355.22552	5.7
365.21066	11.9
373.24112	1.0
375.23276	1.0
383.22162	57.1
384.22464	3.0
393.24023	1.4
401.23239	25.2
402.23642	1.4
403.22617	2.3
419.24246	4.7
421.23911	3.9
429.26566	1.1
431.24316	6.9
439.24902	8.2
440.25415	0.9
445.25845	1.1
457.25851	50.4
458.26089	3.6
475.26920	100.0
476.27292	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2697
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
51.92597	0.8
53.03938	2.6
55.01876	6.6
55.05515	23.9
57.03444	5.0
59.05003	1.1
65.03944	1.6
67.05506	29.5
69.03427	3.4
69.07064	6.6
69.53528	0.7
69.70596	1.6
69.70957	1.6
71.04992	2.3
74.96559	0.6
77.03959	0.7
78.37762	0.6
79.05499	25.1
81.03422	19.8
81.07064	21.2
81.07549	1.1
83.01358	1.0
83.04984	5.6
83.08620	11.4
85.02926	1.7
85.06556	1.4
91.05485	18.9
93.07049	16.5
93.96283	0.8
95.01345	0.8
95.04969	15.4
95.08612	12.9
97.02896	1.1
97.06528	4.0
97.10170	11.9
98.23379	1.0
99.04440	0.9
103.05465	1.3
105.03394	1.7
105.04569	1.5
105.07031	12.8
107.04961	9.9
107.08591	12.6
109.02867	5.4
109.06525	4.6
109.10154	8.0
111.04419	1.8
111.08097	2.2
115.05463	2.9
117.07025	9.8
119.04947	2.3
119.08596	8.7
121.02886	2.2
121.06510	7.6
121.10141	5.0
123.04429	1.6
123.08073	4.6
125.02344	2.2
125.08735	1.1
125.09628	10.4
128.06261	1.6
129.07013	9.4
131.04944	5.8
131.08580	8.9
133.06482	7.4
133.10146	3.7
135.04436	3.3
135.08073	3.4
135.11711	3.1
137.05989	2.2
137.09639	1.4
141.06923	3.5
142.07805	1.2
143.08578	5.7
145.06488	8.8
145.10124	8.5
147.04436	4.9
147.08044	6.9
147.11684	2.1
149.05980	2.7
149.09622	3.0
153.09132	2.1
153.12706	1.4
154.07695	0.8
155.08556	5.3
157.06477	4.2
157.10088	4.8
159.04413	1.6
159.08049	4.8
159.11694	2.0
160.05211	3.1
161.05983	21.0
161.09645	3.3
163.11177	7.7
165.07042	1.7
165.09090	1.1
167.08566	2.1
169.06508	2.6
169.10159	3.4
171.08012	5.0
171.10243	1.2
171.11742	3.0
173.06010	4.5
173.09624	5.1
173.11765	1.7
174.09186	1.6
175.07578	3.8
175.11156	3.6
175.65581	0.8
179.08623	0.9
181.06572	1.2
181.08595	5.9
181.10088	1.4
181.12422	0.8
183.08063	2.9
183.11714	2.1
185.06018	1.9
185.09653	3.3
185.13287	3.0
187.07542	2.8
187.11246	1.4
189.09250	1.6
189.11258	3.9
189.12778	1.4
191.10695	2.8
193.10362	1.6
193.12247	8.5
195.08043	1.0
195.11710	2.2
197.09596	2.4
199.07555	1.2
199.11195	1.9
201.09099	2.5
201.12767	2.3
203.10660	1.2
203.14378	1.5
205.12280	2.0
207.11790	1.1
209.09727	1.5
209.11641	1.3
211.07512	0.9
211.11163	3.2
213.12791	2.5
216.13864	1.4
221.13283	0.9
223.11180	1.7
225.12787	3.3
227.10678	1.4
227.12747	2.1
229.12270	1.4
230.11871	1.7
231.13802	4.4
235.11238	1.1
237.07643	0.8
237.11082	1.8
243.13774	4.1
245.15532	1.0
247.13293	1.0
249.14946	1.2
253.12268	1.1
255.13805	1.2
257.15460	2.4
259.13281	1.5
262.14401	5.4
269.15082	3.9
271.13254	5.7
271.45956	0.8
273.14883	6.1
285.15060	1.4
287.16415	1.5
289.14362	12.9
299.16592	1.1
302.07712	0.8
302.23416	0.8
303.15982	2.5
323.16324	1.0
337.21573	2.3
347.19952	2.9
355.22751	6.9
365.21115	10.3
366.21979	0.8
373.23532	1.1
383.22165	62.6
384.22571	2.2
393.24554	1.2
401.23288	24.7
402.23654	1.7
403.22791	1.8
413.23199	1.4
419.24286	2.9
421.23804	2.7
431.24438	5.4
434.15649	4.4
439.24832	8.3
444.20251	6.9
447.27295	0.9
457.25858	51.3
458.26077	2.4
475.26889	100.0
476.27243	5.8
497.23752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
55.05510	1.9
57.03440	0.9
57.07083	0.6
61.60780	0.1
63.64414	0.1
65.03945	0.8
65.59104	0.1
67.05505	1.2
69.07063	1.6
69.48509	0.5
71.08621	0.3
79.05479	0.5
81.07066	1.1
83.08618	1.1
91.05482	7.3
93.07065	0.8
95.04992	0.2
95.08599	0.8
97.06528	0.1
97.10156	0.5
98.22720	0.3
102.28676	0.1
107.08584	0.4
109.10132	0.3
111.08111	0.1
119.04942	18.3
119.26791	0.1
120.05270	0.3
121.10147	0.5
123.11713	0.2
135.11717	0.3
147.04405	100.0
148.04752	1.2
149.13263	0.2
165.05475	2.4
165.96263	0.1
221.08128	0.4
237.22134	0.2
311.25757	0.2
475.20413	0.3
475.30533	4.7
476.31003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01868	1.4
55.05510	0.6
56.50448	0.4
57.03442	2.4
59.05004	1.0
61.02934	3.3
62.34218	0.5
65.03944	1.3
67.05515	0.8
69.03064	0.7
69.03430	12.9
69.07075	0.7
71.04984	1.9
73.02930	3.6
79.05508	0.8
81.03421	7.8
81.07069	1.5
83.01363	0.5
83.08617	0.7
85.02912	34.8
85.06533	1.1
86.03260	0.8
87.00824	0.8
87.04482	6.6
91.03957	1.8
91.05488	0.6
93.07042	1.3
95.04964	2.8
95.08580	1.1
97.02903	11.5
97.06518	1.0
98.06873	0.6
99.04460	4.4
99.08089	0.8
100.04792	0.7
105.01859	1.6
105.07066	0.7
107.08598	1.7
109.02890	5.0
109.06532	1.4
109.10172	1.1
111.08089	0.6
115.03121	1.1
115.03933	21.4
119.08562	1.2
121.02872	100.0
121.10156	2.2
122.03207	1.6
122.10500	0.7
123.08051	0.5
127.03923	16.1
127.79037	0.5
129.05502	1.5
131.08592	0.5
133.04974	7.9
133.10123	2.5
134.10487	0.7
135.08047	0.8
137.09682	0.5
139.03877	1.3
145.04967	19.7
147.08043	0.6
147.11690	1.5
148.12056	0.7
149.09665	0.9
150.09952	0.6
151.11171	0.6
159.02951	0.7
163.06003	2.4
163.14803	0.6
165.05487	1.1
166.13051	0.7
169.85973	0.5
173.13329	0.7
174.13564	0.8
183.06540	45.9
183.13751	0.7
191.14308	1.0
192.14671	1.3
209.15395	4.6
210.15672	4.8
227.16428	4.8
228.16740	5.1
244.62346	0.5
250.17982	0.9
259.08167	4.5
260.16394	0.6
277.09259	3.9
278.17496	2.2
385.69092	0.5
432.23737	0.7
437.26288	0.5
475.32422	6.2
476.20898	0.8
476.26230	5.5
476.33005	3.6
476.74054	0.7
492.95258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66524	0.2
55.05511	0.2
57.03436	0.2
57.90699	0.2
65.03934	0.4
67.01617	0.2
69.03437	0.6
70.70357	0.2
79.05501	0.5
81.07065	1.0
85.02923	0.8
90.41973	0.2
91.05482	4.5
91.06055	0.3
93.07033	0.3
97.02919	0.2
103.05455	0.3
103.64794	0.2
105.07021	1.9
105.39895	0.2
115.05446	0.2
117.07027	1.6
119.04942	5.1
119.08567	1.0
121.06512	3.1
122.09653	0.2
129.07001	0.8
131.08569	0.4
133.06491	16.5
133.10114	0.5
134.06833	0.4
137.05991	2.5
142.07790	2.0
145.04993	0.2
145.06459	0.3
147.08008	0.3
147.11690	0.7
147.72824	0.2
148.88217	0.2
156.78923	0.2
157.10132	13.8
158.10475	0.6
160.08858	0.5
175.11185	100.0
176.11528	2.9
180.08784	0.3
272.97461	0.2
449.76563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
53.03943	0.6
55.01857	1.3
57.03430	0.9
61.02921	0.5
65.03925	0.5
68.99776	0.5
69.03426	2.0
69.15161	0.5
69.15563	1.5
70.67970	0.2
71.04986	0.6
71.27776	0.3
73.02901	0.8
73.83781	0.3
79.05489	0.9
81.03416	2.5
81.07046	1.2
85.02904	6.6
86.97493	0.3
87.00821	2.3
90.26979	0.3
91.05472	6.5
93.07028	0.5
95.04960	0.3
97.02889	2.6
99.04449	1.1
103.05474	0.5
105.01849	1.8
105.07027	7.4
106.63704	0.3
109.02881	2.9
115.05424	0.8
115.39337	0.2
117.01844	0.3
117.07021	2.1
119.04934	4.8
119.08578	1.5
121.06497	4.6
123.08127	0.4
127.03911	4.3
129.01805	0.5
129.07010	1.0
131.08640	0.4
133.06490	17.8
133.10178	0.4
134.06750	0.3
137.05986	2.3
142.07784	1.9
145.04950	2.5
145.06029	0.3
145.06400	0.3
147.02834	0.5
147.07986	0.5
147.11693	1.0
151.07536	5.4
157.10127	14.4
159.02866	1.9
160.08827	1.2
165.09149	0.3
171.02876	0.3
175.11180	100.0
176.11516	2.5
180.81783	0.3
188.89931	0.2
193.12256	1.4
204.33563	0.2
211.13298	0.3
229.12222	2.2
231.05002	0.8
253.12245	1.2
260.12830	0.5
271.13324	0.7
295.13318	1.3
319.13232	0.9
333.15652	0.4
337.14230	0.6
458.21909	0.3
476.19754	5.9
477.16714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01879	1.6
57.03429	2.0
61.02926	1.5
65.03928	0.9
69.03426	11.4
69.07066	2.5
69.33430	1.8
69.33815	2.1
71.04995	1.8
73.02927	1.8
76.02213	1.3
79.05508	3.1
81.03424	7.1
81.07061	5.2
85.02901	23.6
87.00830	9.9
87.83107	0.8
91.05473	8.4
94.04201	1.7
95.05028	1.6
96.89667	0.8
97.02888	7.6
98.51851	0.8
99.00151	0.8
99.04465	3.1
105.01863	9.9
105.07033	3.7
107.04985	4.8
108.04460	1.0
109.02884	9.1
109.06516	27.4
115.03938	1.8
117.07035	1.9
119.04942	3.0
119.08569	1.5
119.64161	1.0
121.06493	4.0
122.03684	1.1
127.03922	12.4
129.07066	0.9
133.06493	13.2
133.10143	2.9
137.05974	100.0
138.06319	1.9
142.07761	1.4
143.08569	1.1
145.04936	4.5
146.07338	1.2
151.07552	1.3
157.10114	8.6
159.02879	2.4
160.08810	1.0
161.05995	2.8
161.09619	24.0
165.09062	1.0
175.11185	67.1
176.11520	2.6
179.04854	1.2
179.06995	1.5
193.12236	73.9
194.12550	2.1
203.06941	1.2
211.13312	6.3
211.65300	0.9
217.12213	2.5
231.04939	2.8
235.13316	1.4
249.06085	1.0
259.13284	1.2
294.30139	0.9
301.14331	3.6
357.94177	0.9
424.22598	0.9
476.19061	2.0
476.32794	2.1
476.71271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
57.03435	24.1
59.05004	5.2
60.04526	3.2
60.05644	3.7
61.02929	6.8
68.04448	1.5
69.03428	88.2
69.83939	1.5
70.06602	9.9
70.61539	1.6
71.01347	2.9
71.05009	1.8
72.08167	2.1
72.43647	1.5
73.02918	33.5
73.03297	2.9
75.04482	2.9
79.05522	1.8
81.03408	6.3
85.02901	81.9
87.04466	57.3
91.03984	2.3
91.05472	2.4
97.02891	79.9
99.04483	4.0
103.03979	1.9
105.07019	14.0
107.04953	16.9
107.76224	1.7
109.02899	4.6
109.06540	2.7
115.03930	100.0
119.08584	2.4
120.08111	8.3
124.05182	11.3
127.03947	17.6
133.04967	97.4
133.06444	13.9
133.10101	2.3
136.07611	2.4
137.05972	26.5
144.06592	2.3
145.04956	21.5
150.07628	12.5
161.09686	1.7
163.06029	4.5
163.07521	1.9
165.09116	54.2
169.04962	2.9
177.09123	3.0
180.08670	1.9
187.06001	2.0
189.09109	6.3
199.02440	3.0
201.09024	3.9
207.10170	4.1
211.06189	1.6
223.06056	2.3
229.15524	2.0
231.10170	2.9
241.06950	2.3
243.10222	2.5
259.08167	4.4
261.11261	3.9
277.09302	3.8
283.14453	3.0
286.04761	3.4
295.10086	2.2
299.07388	2.0
300.09225	2.4
301.07245	2.4
371.77020	1.7
438.57013	2.2
461.58191	1.7
475.32751	9.3
476.11575	17.8
476.32962	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01863	1.0
57.03436	0.5
61.02909	0.8
64.30010	0.2
65.03947	0.4
65.37334	0.3
68.99779	0.4
69.03430	3.3
69.41008	1.3
70.51312	0.2
71.04982	0.6
71.51020	0.2
73.02907	0.7
77.03909	0.4
78.04711	0.6
81.03423	2.6
85.02905	10.4
87.00829	4.4
91.03975	0.3
91.05473	4.5
93.07062	0.6
95.04963	0.7
96.15169	0.3
97.02900	3.3
99.04461	1.3
105.01875	3.6
105.07036	0.4
108.05733	0.8
109.02873	2.5
117.01855	0.3
119.04945	0.5
121.06503	14.0
123.08072	6.4
124.05212	0.3
126.05536	0.3
127.03915	5.4
129.01775	0.3
133.06482	0.6
138.78488	0.3
139.06465	0.3
139.07538	5.2
145.04971	2.2
148.33594	0.3
149.07092	1.2
151.07541	100.0
152.07834	2.6
157.09995	0.3
159.02879	1.4
175.11194	2.4
188.08246	0.3
193.08656	2.2
193.12245	36.5
194.12582	1.1
205.12212	0.4
211.13316	4.5
213.04088	0.3
217.08594	0.8
217.12418	0.4
231.05115	1.4
235.13225	0.8
259.09622	0.9
259.13281	0.6
278.05142	0.3
301.14313	1.3
319.15359	0.8
381.11560	0.6
476.19110	0.4
477.23099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.4
67.05513	0.9
69.91856	1.0
69.92175	2.7
69.98223	0.9
79.05503	2.8
79.39661	1.2
81.07056	3.1
83.04964	1.0
84.04504	40.0
90.17561	1.0
90.33346	1.0
91.05488	2.7
91.43069	1.1
93.07046	3.6
95.04975	1.9
95.08618	4.1
97.06540	3.1
98.22753	1.4
102.05542	18.9
105.07033	3.9
107.08579	3.3
107.53744	1.0
109.06510	2.0
109.10149	2.5
119.08591	5.0
121.06516	3.2
121.10132	1.8
121.35789	1.0
123.08069	1.9
130.05008	21.1
131.08559	1.7
135.04355	1.3
135.08052	3.3
137.05931	1.7
137.09593	1.6
145.06564	1.0
145.10117	3.4
147.08012	1.7
148.06041	89.1
149.09644	1.3
157.10158	2.7
159.08051	1.6
159.11687	1.3
161.09610	2.4
163.11179	2.1
167.08591	1.0
171.07980	1.1
171.11646	1.5
172.21429	1.0
173.09618	1.8
175.07483	1.6
175.11177	2.2
181.10117	1.9
183.11665	1.2
185.09628	3.0
187.07663	1.1
187.11308	1.3
189.09163	1.3
189.12643	1.0
191.10805	1.8
195.11711	2.3
199.11154	3.0
201.12863	1.5
203.07027	1.2
207.11789	1.7
209.09839	1.1
223.14897	1.8
227.14337	2.8
227.17908	1.4
235.11174	1.5
237.12778	1.4
237.16425	2.6
241.12048	1.3
241.15895	2.7
247.14803	1.4
250.16522	1.1
255.13928	3.1
255.17410	6.0
264.12216	1.2
265.15945	3.9
273.15726	1.4
273.18518	8.2
283.16904	21.3
288.25055	1.4
292.67389	1.1
301.17981	100.0
302.18204	2.9
424.68164	1.1
426.15332	1.5
458.21478	2.1
476.23499	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.07052	1.2
64.52084	1.1
67.05499	5.7
69.07086	4.9
71.05688	1.1
79.05488	1.6
81.07050	4.7
83.03508	0.9
83.08616	2.0
91.05477	3.2
93.07053	3.1
95.04993	1.1
95.08619	16.4
99.10146	1.1
105.07043	8.1
107.08584	3.7
109.10162	21.3
119.08582	40.0
121.10123	3.6
133.10129	42.5
134.10538	1.0
135.11705	8.7
137.09618	7.7
145.10110	1.7
147.11671	11.1
147.69466	1.0
149.13271	2.2
151.14827	4.1
160.12430	2.2
173.13283	1.3
175.14824	100.0
176.15146	3.2
193.15891	26.4
194.16261	1.1
271.26862	1.2
343.18253	1.0
441.68478	1.1
452.12067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21331	0.6
53.03951	1.3
55.01868	1.6
55.05516	2.2
57.03442	0.8
57.86867	0.6
61.02945	0.5
62.92593	0.6
67.05500	0.8
67.53680	0.5
69.03424	4.8
69.07073	2.5
70.68398	1.0
71.04989	2.5
73.02924	1.1
73.45592	0.6
79.05489	2.0
81.03419	4.6
81.07059	7.0
83.08582	0.8
85.02906	14.4
87.00828	6.7
91.05491	4.0
93.07046	5.3
95.08607	13.3
97.02887	6.3
99.04442	2.2
99.08075	4.2
105.01879	6.7
105.07038	7.7
107.08591	8.0
108.59759	0.5
109.02879	4.8
109.10188	1.0
113.09635	1.6
117.06995	1.0
119.08581	55.3
120.08926	1.2
121.10109	1.3
123.11676	4.5
127.03922	10.1
131.08543	0.8
133.10127	98.5
134.10481	2.8
135.11696	15.5
145.04953	4.1
145.10100	0.7
147.11693	1.6
159.02870	2.7
173.13263	0.7
175.14819	100.0
176.15169	3.1
184.12494	0.6
191.13269	0.7
193.15889	27.7
194.16245	0.9
211.16930	27.1
212.17232	1.2
231.04987	1.8
239.66071	0.6
249.06050	0.9
434.18784	0.7
475.82675	4.3
476.32602	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Epothilone C5
Peak:m/z	Relative Intensity
52.85646	1.4
53.03936	1.6
54.09077	1.4
55.05515	7.4
67.05525	1.6
69.03427	7.0
69.07070	7.3
79.05479	4.3
79.24407	1.5
81.03411	3.1
81.07053	6.8
83.08624	3.6
85.02895	7.8
87.00820	2.6
91.05480	7.3
93.07046	3.8
95.08628	10.3
97.02865	3.9
105.01870	7.7
105.07033	20.4
107.08607	12.7
109.02839	1.8
109.10153	2.2
115.53464	1.5
117.07000	2.1
119.08588	74.4
120.08854	1.9
121.10142	4.5
127.03923	6.7
133.10132	26.4
135.11697	4.4
145.04955	3.1
145.10083	4.0
147.11690	4.9
160.08626	1.6
174.53064	1.4
175.14830	100.0
176.15289	3.4
193.15900	2.7
220.35739	1.6
229.10081	1.7
231.05022	1.8
249.06036	4.1
258.96829	1.6
408.09152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
54.36291	0.6
55.01871	1.2
55.05516	7.3
60.75773	0.6
67.05521	2.5
69.03435	3.8
69.07072	10.9
71.05807	0.6
73.02915	1.4
79.05503	2.6
81.03413	4.4
81.07063	7.1
81.71653	0.6
83.08620	5.1
85.02909	7.2
87.00838	5.2
88.70778	0.6
91.05481	9.1
93.07046	3.4
95.08604	8.1
97.02875	3.1
99.04461	1.0
103.05462	0.8
105.01878	5.8
105.07039	23.0
107.08601	12.2
109.02897	2.6
109.10181	1.6
116.76663	0.5
117.07036	4.3
119.08589	85.5
120.08948	2.0
121.10157	4.4
123.11749	2.4
127.03954	5.4
131.08566	1.3
133.10141	29.3
135.11713	2.5
145.04991	2.4
145.10124	1.8
147.11665	4.0
159.02959	1.0
160.12512	1.7
173.13280	0.8
175.14835	100.0
176.15219	4.0
193.15881	0.7
231.05002	1.3
247.30075	0.6
249.06053	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05512	5.0
55.98606	0.9
57.03442	0.8
57.07085	2.7
61.02936	0.9
67.05502	5.0
69.03435	3.2
69.07072	5.8
69.29399	4.4
71.05017	1.5
73.02948	0.8
79.05484	5.9
81.03432	3.4
81.07058	9.3
83.08624	2.0
85.02914	8.5
86.06071	1.0
87.04498	1.3
91.05479	9.0
93.07059	9.7
94.06566	1.3
95.04985	1.6
95.08608	20.5
97.02900	4.7
99.04458	1.0
99.08100	2.8
105.03413	0.9
105.07032	32.2
106.07455	1.1
107.04940	1.0
107.08595	18.2
109.02865	2.0
109.06538	1.3
109.10165	13.4
111.04489	1.0
112.55850	0.8
113.09642	1.9
115.03906	4.6
117.07035	2.3
119.08585	52.4
120.08927	1.3
121.10151	5.0
123.08060	1.3
123.11745	3.3
127.03905	4.3
131.08603	2.4
132.04509	1.1
133.05000	1.7
133.10132	57.5
135.11696	25.8
137.09628	8.1
137.69664	0.8
143.08633	1.1
145.04973	4.6
145.10147	3.3
147.11671	7.1
149.13275	3.4
151.14862	2.2
154.08658	1.1
173.13319	3.0
174.13684	1.4
175.14822	100.0
176.15187	2.5
183.10233	1.3
184.02853	1.0
186.29454	1.0
191.14304	3.0
192.14655	2.4
193.15926	20.1
210.09207	1.6
259.08179	1.1
277.09140	1.9
476.22147	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71616	0.4
53.03952	1.0
53.39182	0.4
55.01867	0.5
55.05512	6.0
57.03426	1.0
57.07079	0.7
61.02912	0.6
65.03947	0.5
67.05507	3.2
69.03427	4.4
69.07068	11.5
69.22076	0.4
69.26429	1.9
71.04989	1.9
71.08641	0.5
73.02928	1.2
78.47149	0.4
79.05486	2.8
79.38763	0.4
81.03407	2.6
81.07059	9.6
82.06580	1.3
83.01347	0.4
83.04987	0.6
83.08613	3.1
85.02906	9.1
85.06543	0.4
86.03246	0.4
86.06072	3.8
87.00837	1.9
88.11278	0.5
89.07178	0.5
91.05476	7.3
93.07055	4.5
94.06566	1.0
95.04961	1.6
95.08604	6.6
96.05305	0.4
97.02888	3.8
97.06537	0.9
97.10134	0.9
98.09684	0.4
99.04464	1.5
99.08104	1.6
100.11203	0.4
103.05476	0.5
105.01873	3.9
105.07034	14.7
105.46365	0.4
106.07345	0.5
107.04961	0.6
107.08594	9.6
108.08141	0.6
109.02885	2.2
109.06536	1.4
109.10152	3.7
111.08089	1.5
111.71469	0.4
115.03934	1.3
116.10763	0.8
117.07008	2.8
119.08582	58.0
120.08869	0.5
121.06475	0.6
121.10145	5.1
123.08056	1.6
123.11710	11.1
124.07616	0.6
125.09628	0.8
127.03914	8.0
129.07007	0.4
131.08594	1.8
133.04974	0.7
133.10127	33.1
134.10486	0.6
135.08076	0.5
135.11691	2.3
137.05980	0.9
137.09610	1.5
137.13255	0.4
139.11203	0.4
142.08636	1.0
145.04947	4.7
145.10144	2.3
147.07999	0.5
147.11676	6.5
149.13225	0.8
151.14818	0.4
152.10684	0.4
154.08606	1.9
157.10153	0.4
159.02892	0.4
160.12489	1.2
165.09134	1.6
165.16331	0.6
167.07069	1.1
170.11752	0.6
173.13271	1.1
173.94554	0.4
175.14824	100.0
176.15202	3.3
183.10179	0.5
191.14172	0.4
193.12254	1.1
193.15904	9.5
198.11270	9.5
198.13097	0.4
199.11600	0.4
209.15335	0.5
211.16913	1.7
216.12292	6.2
216.14305	0.5
231.04959	2.3
249.06029	3.2
272.36371	0.4
277.09235	0.5
284.09860	0.9
301.09030	0.4
314.19760	0.4
344.41824	0.5
360.16708	1.8
367.22797	1.1
378.17584	1.8
385.23608	0.9
414.18570	1.5
440.29703	0.9
459.27054	1.1
476.18054	0.8
476.24762	1.8
476.31354	2.6
477.28369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01872	0.6
55.05297	0.5
55.05516	5.9
57.03441	5.5
57.07067	1.6
59.18899	0.5
62.06098	0.9
65.03921	0.8
67.05505	30.6
69.00716	0.5
69.07071	5.3
70.61807	0.6
70.62148	0.8
71.04986	0.9
71.08610	1.0
79.05043	0.8
79.05494	14.0
81.07057	27.2
81.45444	0.4
83.04990	0.8
83.08607	2.8
85.06541	0.6
90.18961	0.4
90.89385	0.4
91.05478	8.2
93.07045	18.3
94.41734	0.5
95.04961	1.7
95.08606	17.3
97.06533	0.9
97.10163	0.8
98.06033	0.6
98.98483	0.6
105.04522	0.8
105.07033	5.1
107.08598	8.4
109.10149	6.9
117.07031	3.0
118.55379	0.4
119.08597	3.9
121.10151	5.4
123.11696	1.5
131.08534	3.7
133.10162	2.9
135.11690	3.6
137.13257	1.1
145.10127	2.1
147.11693	1.3
149.13248	1.9
149.31705	0.5
151.14789	0.5
159.11685	2.1
161.13300	1.8
163.11282	0.4
163.14810	1.4
168.69258	0.4
173.13246	1.8
175.14706	0.6
187.14798	1.1
198.05301	0.7
216.06346	1.2
225.06853	0.5
243.21109	2.3
261.22195	1.8
283.76239	0.4
304.26425	3.0
306.59790	0.5
317.24814	1.6
335.25800	100.0
336.26062	4.1
390.00424	0.5
427.83725	0.4
476.21524	0.5
476.27567	0.6
477.19116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01871	1.0
55.05515	7.7
57.03442	2.0
57.32965	0.8
62.06097	17.0
67.05502	23.7
69.07064	6.6
69.15258	3.9
71.04987	1.0
79.05496	12.7
81.07053	18.5
83.08616	2.7
85.05304	2.0
90.71731	0.8
91.05490	5.5
93.07037	12.6
95.04963	1.5
95.08607	14.9
97.10183	1.1
98.06049	10.9
98.23415	1.9
98.98489	4.3
105.04501	1.2
105.07006	3.9
107.08602	6.7
109.10163	6.2
112.07587	1.5
117.06998	1.0
119.08600	2.6
121.10116	5.3
123.11736	1.3
125.06013	1.0
131.08575	2.5
133.10114	2.5
135.04416	10.2
135.11699	3.1
136.04776	3.3
142.02652	0.8
145.10120	1.3
147.11667	1.1
149.13214	1.6
155.01047	1.3
159.11739	1.3
159.74625	0.7
173.02110	1.5
173.13283	1.0
216.06384	1.8
220.58755	0.7
222.18492	1.7
243.21152	1.0
246.20027	0.9
249.08595	1.0
260.21686	0.8
261.22174	4.2
263.10733	1.0
291.10028	1.4
292.10464	2.1
304.26343	100.0
305.26733	2.1
324.13095	2.8
335.25809	49.6
336.26047	2.4
360.29282	0.9
428.00851	0.9
458.26584	3.1
476.27588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01866	0.6
55.05510	7.0
57.03180	0.5
57.03436	5.8
57.07077	0.8
59.86107	0.3
60.68530	0.4
62.06091	0.5
62.98687	0.4
65.03938	1.3
67.05504	26.9
69.06706	0.5
69.07065	6.9
69.74625	1.0
71.05002	0.5
79.05041	0.8
79.05492	13.0
79.99567	0.3
81.07055	24.6
83.04987	0.9
83.08614	2.5
85.06532	0.7
91.05473	6.2
93.07047	13.4
95.04977	2.0
95.08602	17.5
96.08862	0.4
97.06524	0.9
97.10159	0.7
98.06053	1.5
105.04530	1.0
105.07029	4.3
107.08597	7.5
109.06517	0.8
109.10156	6.4
111.08103	0.5
117.06998	0.9
119.08585	3.2
121.10136	5.8
123.08065	0.7
123.11703	2.0
125.04320	0.4
131.08585	2.0
133.10126	2.4
135.11676	2.5
137.13240	0.4
142.02783	0.4
145.10124	1.3
147.11664	1.3
149.09605	0.5
149.13275	1.4
159.11697	1.0
161.13232	0.8
163.14792	0.3
173.13206	0.5
198.05232	0.6
216.06372	0.6
234.47307	0.4
261.22192	0.6
304.26337	15.4
310.75665	0.4
335.25787	100.0
336.26151	4.4
458.26593	0.6
459.27588	0.4
476.28116	1.1
477.28250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51770	1.0
69.57217	2.8
69.57608	2.2
79.05490	2.7
91.05499	3.6
93.03905	1.1
94.05969	1.0
94.12417	1.1
105.07018	2.4
109.06523	3.6
128.06253	1.4
129.06976	6.6
129.61530	1.1
131.04904	1.5
131.08583	2.5
138.97382	1.1
142.07791	16.0
155.08568	1.0
157.10114	10.7
158.10870	1.3
159.08029	1.2
174.10568	1.2
189.12746	97.0
190.13109	2.3
217.30702	1.2
227.05414	1.2
230.91455	1.1
267.11270	1.2
271.04172	1.3
287.03741	1.5
345.83655	1.1
391.17160	3.1
433.12488	1.7
433.18347	26.1
438.73639	1.4
477.17346	100.0
478.17679	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	477.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
56.05037	1.6
58.87976	1.1
68.20683	0.9
69.31095	0.8
70.98509	1.6
71.04993	10.1
79.05477	1.2
80.05009	2.3
83.01323	2.9
84.08128	1.7
91.05457	1.8
93.60793	1.0
99.04433	1.6
105.07040	1.5
106.06543	1.7
108.04428	1.3
108.08109	1.9
115.07557	1.4
117.07006	1.5
118.06564	1.3
120.08087	3.7
122.09666	17.7
125.05996	2.2
132.08006	1.2
134.05956	1.1
134.09637	5.2
136.07634	1.2
144.08035	1.7
146.09650	4.0
147.08058	1.1
147.10379	1.4
148.07515	1.1
148.11206	35.8
149.11990	5.5
150.09151	19.7
158.09642	3.1
160.07596	1.3
160.11238	4.8
161.11974	1.0
162.09128	1.2
164.10655	1.3
170.09618	2.0
171.08046	1.2
172.11215	3.3
173.05798	0.9
174.09181	4.8
174.12770	2.3
176.10753	5.0
178.12215	1.1
182.09584	2.1
182.11812	1.1
184.07430	1.1
184.11127	1.7
185.08350	1.0
186.09109	3.6
186.12744	1.8
188.10742	4.7
196.11165	1.2
198.09023	1.3
198.12793	2.5
200.10736	5.0
200.14317	1.9
201.11456	1.1
202.12253	2.2
204.10263	2.0
206.11710	1.6
208.11201	1.3
210.09039	1.0
210.12729	2.8
212.10695	2.3
214.08583	1.6
214.12160	2.3
216.10168	3.4
216.13777	2.2
218.11789	10.3
219.12216	1.5
220.11372	1.5
220.13275	5.1
221.13985	2.1
224.10724	1.5
226.08650	1.4
226.12213	4.9
227.12978	1.5
228.10162	1.6
228.13753	7.9
230.11838	2.4
230.15428	1.6
231.10210	1.3
232.13338	4.1
236.10558	1.8
237.11418	1.2
238.12227	8.0
240.10373	1.1
242.11749	2.6
244.09619	2.3
244.13338	5.4
246.14905	5.7
247.15651	12.6
248.12877	1.6
248.16489	6.3
249.13510	2.1
252.10242	1.1
252.13773	1.0
253.11078	1.4
254.11784	3.9
256.13272	11.0
258.14880	4.7
259.15594	2.3
260.12863	2.5
260.16428	5.9
266.11719	1.1
268.13162	2.1
270.11261	1.4
270.14886	3.8
272.12750	2.3
274.14359	4.7
275.15121	7.9
276.15924	34.8
277.10715	1.6
277.16370	2.0
282.11279	2.1
284.12805	1.7
286.14249	4.8
287.15054	1.4
288.12708	1.3
288.15894	19.6
292.11768	1.4
296.12885	4.2
298.14438	1.1
298.18057	1.7
300.12207	4.3
300.15652	1.6
304.15396	17.2
314.13882	26.0
314.17282	1.4
316.15414	2.1
326.17395	4.3
328.15384	4.2
332.14899	77.5
333.15103	3.1
342.16971	2.0
344.18546	6.1
346.20361	1.2
354.16931	4.2
358.16132	2.2
358.20032	2.7
370.16254	2.4
372.18048	11.3
374.19727	2.4
384.18039	2.1
386.19562	18.0
387.20135	2.7
388.17328	2.4
398.15900	1.6
400.17371	3.0
402.19095	100.0
403.19696	13.3
413.18225	4.3
414.19070	11.5
416.16980	8.0
431.19388	34.7
436.17023	1.9
477.17911	5.1
477.24332	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	17.4
55.05511	69.5
57.03435	15.0
57.07061	2.4
59.05010	3.4
65.03942	3.8
65.08775	2.6
67.05160	4.2
67.05505	61.2
69.03423	15.9
69.07068	20.3
70.16695	3.7
70.17006	2.9
71.04968	5.6
75.94888	2.1
77.03924	2.6
79.05490	75.3
81.03416	72.2
81.07056	53.5
83.04987	18.8
83.08617	43.8
85.02922	12.8
85.06556	7.0
91.05479	46.8
91.06054	2.7
93.07044	34.3
95.04967	41.7
95.08608	29.2
97.02893	5.0
97.06537	8.0
97.10167	56.8
99.08094	2.9
105.07025	38.7
107.04956	37.4
107.08596	42.9
107.09264	4.3
109.06525	15.2
109.10146	25.4
111.08060	12.1
113.05982	3.4
115.05458	3.6
117.07038	15.0
119.08559	25.8
121.06500	37.9
121.10133	17.1
123.04444	2.9
123.08083	13.4
123.11725	3.4
125.05969	4.0
125.09627	43.2
128.06221	5.1
129.07011	21.0
129.66452	2.2
131.04936	6.9
131.08562	23.1
133.06506	15.3
133.10126	10.8
135.08057	14.0
135.11684	9.1
137.09584	3.9
141.07024	4.7
142.07825	5.1
143.08585	10.6
145.06474	18.7
145.10121	13.6
147.04456	3.4
147.08014	14.8
147.11691	12.1
149.05968	2.9
149.09598	11.7
151.07576	3.4
153.09123	9.1
153.12761	5.0
155.08563	8.0
157.06531	3.7
157.10129	13.0
159.06889	2.3
159.08089	9.0
159.11642	2.8
161.06001	2.8
161.09621	3.9
163.11211	5.1
165.12746	3.3
167.08531	3.0
167.14316	3.9
169.06554	3.3
169.10121	5.8
169.12242	7.2
171.08089	7.7
171.10211	5.0
171.11684	5.8
173.09668	4.7
175.11182	11.1
175.14897	3.4
176.15155	2.8
177.12718	2.7
177.16306	3.0
177.69780	2.7
181.10118	4.6
183.11781	5.7
185.13248	4.1
189.09575	3.1
189.11227	25.6
189.12749	5.7
193.12228	40.7
195.11649	4.8
197.09592	4.1
197.13301	6.2
199.11192	7.0
199.44485	2.3
202.77435	2.6
203.14293	4.0
205.12180	3.1
209.13313	3.0
211.11314	3.1
211.13350	10.5
211.16872	17.7
213.12775	3.9
215.14391	6.4
217.12251	5.2
219.13815	3.9
227.12715	19.5
229.18001	27.3
231.13802	3.1
233.15361	19.3
237.12657	3.5
241.14362	6.6
243.17531	2.7
245.15430	3.1
249.14868	6.9
255.13846	5.4
259.13113	3.1
267.15894	36.6
271.16730	3.4
273.14911	19.6
275.16434	3.1
291.16061	3.7
339.23138	9.7
341.21088	7.4
349.21603	21.4
357.24286	9.0
367.22665	54.4
367.27032	4.9
380.18536	6.7
385.23709	97.9
385.28644	5.3
386.24042	3.4
403.24805	32.8
405.25067	2.5
415.25037	2.9
423.25443	3.8
433.25781	9.1
441.26230	9.1
459.27383	100.0
460.27707	3.3
477.28473	77.8
478.22684	14.9
478.28574	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20854	1.2
53.03941	5.5
55.01878	12.0
55.05513	54.3
57.03438	14.4
59.05001	3.2
65.03941	3.8
67.05507	62.1
69.03431	8.5
69.07075	13.4
69.25484	5.0
69.25893	2.3
71.04990	5.6
77.03929	1.8
79.05498	63.0
81.03420	86.2
81.07057	60.6
82.07394	1.8
83.04981	19.7
83.08624	37.1
85.02923	16.4
85.06551	3.1
87.22329	1.2
91.05485	67.1
93.07044	37.5
93.07606	2.6
95.04974	39.3
95.08604	25.6
97.02879	3.0
97.06543	8.3
97.10176	34.1
98.23473	2.6
99.08125	1.9
103.05473	2.7
105.03440	1.6
105.04541	3.9
105.07030	45.8
107.04951	30.4
107.08594	26.1
109.02879	2.3
109.06521	10.9
109.10159	12.7
111.04439	2.9
111.08076	12.1
113.06030	2.1
115.05474	5.2
117.07022	13.4
119.04950	2.2
119.08579	27.2
121.02863	3.3
121.06512	20.9
121.10144	11.5
123.04375	1.9
123.08041	7.0
123.11732	5.0
125.09630	26.3
127.07603	1.3
128.06248	3.7
129.06996	21.5
131.04921	4.0
131.08572	24.0
133.06473	10.2
133.10139	20.7
135.08005	6.4
135.11703	3.3
137.05963	4.3
137.09657	4.3
141.07034	3.8
142.07797	4.2
143.08539	6.6
143.10721	1.5
145.06483	15.1
145.10112	9.9
147.04436	2.9
147.08055	10.3
147.11673	15.3
149.09634	7.3
149.13272	1.6
151.07495	1.9
151.40355	1.3
153.09137	5.7
155.08537	6.3
157.06505	4.0
157.10146	18.7
159.08128	3.0
161.05986	3.6
161.09637	1.7
163.11200	4.0
165.09113	5.2
165.12817	4.3
166.09450	1.4
167.08472	1.9
169.10133	3.9
171.08109	4.0
171.10181	3.2
171.11702	6.3
173.09697	2.9
173.11708	1.6
175.11194	19.1
181.10194	2.2
183.11699	1.9
185.09680	1.8
185.13286	2.9
187.11200	2.7
189.11217	16.2
189.12776	4.1
193.12251	58.1
195.11760	2.5
197.13261	1.9
199.11215	3.5
204.94305	1.3
211.11389	1.3
211.13277	35.8
212.17194	2.4
213.12772	3.1
215.06938	2.1
215.14366	3.6
217.12267	2.9
227.12604	9.6
227.14793	1.6
231.13876	3.6
233.15347	10.7
235.13297	1.6
237.12878	1.7
241.14339	3.2
245.15488	2.6
249.14940	4.8
255.13770	3.2
257.15256	1.8
259.13181	2.0
267.15903	39.4
269.15356	1.6
271.16873	1.6
273.14783	11.6
275.16400	1.6
285.17062	2.5
287.16528	2.2
291.15842	3.1
339.23096	6.3
341.21100	2.7
349.21671	12.2
357.24194	5.9
367.22678	37.5
368.22910	1.9
385.23709	64.8
403.24738	20.8
433.25848	5.7
441.26309	6.0
459.27417	79.8
460.27780	4.0
477.28467	100.0
478.22531	2.4
478.28830	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	477.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.2
55.05513	47.2
57.03442	9.8
65.03931	2.0
67.05509	46.0
67.55979	1.3
69.03429	6.8
69.07071	12.0
69.43369	7.2
71.00029	1.5
71.04994	3.7
77.03949	2.9
78.10318	1.3
79.05502	51.5
81.02957	3.1
81.03421	49.3
81.07059	37.4
81.07504	3.0
83.04981	11.2
83.08623	28.2
85.02916	4.8
85.06554	3.5
91.05489	33.6
93.07049	28.8
93.40211	1.5
95.04972	24.1
95.08623	18.1
97.02919	3.3
97.06521	6.4
97.10175	43.7
99.08145	2.3
99.58265	1.6
105.04529	1.9
105.07030	27.3
107.04964	28.3
107.08601	23.4
109.06526	8.0
109.10165	11.6
111.08120	7.2
113.06019	3.7
115.05447	2.2
116.33453	1.5
117.07018	13.9
119.04906	1.7
119.08582	19.6
121.06509	26.2
121.10161	9.1
123.04461	2.4
123.08050	9.6
123.11740	2.2
125.05975	2.6
125.09640	29.4
128.06265	2.7
129.07016	16.4
131.04900	3.1
131.08585	16.1
133.06506	10.0
133.10100	8.2
134.10468	1.7
135.04370	1.7
135.08081	11.5
135.11694	4.2
137.05943	2.1
137.09583	2.0
141.07019	3.5
142.07813	3.2
143.08597	8.0
145.06487	18.8
145.10156	8.4
147.04390	2.9
147.08054	10.3
147.11691	9.3
149.09634	4.9
153.09105	12.0
153.12729	3.8
155.08591	5.4
157.06499	3.7
157.10124	14.6
159.08063	6.4
159.11732	5.8
161.05956	2.6
161.09647	4.8
163.11232	4.7
165.07057	2.4
165.12810	3.0
167.08641	1.7
169.10158	3.5
171.08075	3.4
171.10219	4.8
171.11760	7.6
173.09621	5.6
173.13271	1.9
174.30742	1.4
175.11147	9.5
181.10178	1.7
183.11754	3.1
185.09602	3.7
185.13155	3.3
187.11200	3.7
189.11234	22.4
189.12863	4.1
193.12241	32.6
195.11731	3.4
197.09689	1.8
197.13266	3.7
199.11174	5.1
203.14445	1.5
205.12308	3.8
209.13304	1.6
211.11487	2.3
211.13194	9.8
213.12801	2.7
215.14395	6.8
217.12299	4.2
223.13261	3.6
225.12735	2.2
227.12674	15.6
227.14761	2.1
231.13759	3.8
233.15401	17.3
235.13260	2.2
237.12857	4.2
239.14474	1.7
241.14389	4.8
243.13890	2.0
245.15404	3.6
249.14890	6.6
255.13872	5.7
257.15372	2.8
259.13348	3.4
267.15924	33.1
268.16101	2.1
271.17026	3.6
273.14874	15.3
275.16611	2.6
281.15469	1.9
287.16354	1.8
289.18073	2.3
291.15939	4.2
321.22293	1.8
331.20596	2.6
339.23257	8.5
341.21182	5.1
347.18518	2.3
349.21667	17.9
350.21985	1.8
357.24329	6.8
357.28232	1.8
365.19821	2.0
367.22681	52.6
368.23074	2.3
375.25317	1.8
385.23749	96.4
386.24039	4.5
393.73734	1.5
403.24811	30.6
405.24149	2.2
433.25897	8.2
441.26443	10.4
459.27405	100.0
460.27930	5.2
477.28500	78.9
478.28711	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78738	1.0
53.03951	4.7
55.01870	13.6
55.05510	65.6
57.03182	1.5
57.03440	15.7
59.04998	2.2
65.03925	3.5
67.05505	59.0
69.03433	9.2
69.07069	14.4
69.10610	4.2
69.11018	1.9
70.20277	1.0
71.05005	5.5
73.06573	1.0
74.34721	0.9
77.03935	3.2
79.05495	63.2
80.05818	1.0
81.03417	100.0
81.07058	49.2
81.07465	1.3
83.04977	12.7
83.08621	41.4
83.27653	1.0
85.02903	7.7
85.06563	3.0
91.05476	53.3
93.07041	33.7
93.07601	2.2
95.04966	43.0
95.08610	22.1
97.02886	2.5
97.06530	8.3
97.10172	44.4
98.23527	2.0
99.04412	1.3
99.08095	1.7
103.05471	1.4
105.03384	1.2
105.04516	3.2
105.07026	37.2
107.04957	35.3
107.08589	30.1
109.06512	11.0
109.10162	14.8
111.04452	2.4
111.08072	12.3
113.06026	1.5
115.05444	4.2
117.07018	15.4
119.04934	2.9
119.08576	27.8
121.02901	1.5
121.06506	33.2
121.10144	10.4
123.04424	1.8
123.08068	10.6
123.11705	1.9
125.06023	2.0
125.09628	39.1
128.06221	2.1
129.06998	19.8
131.04935	5.8
131.08559	24.4
133.00713	0.9
133.06494	12.6
133.10146	12.6
135.04422	2.8
135.08052	13.9
135.11678	3.2
135.77977	1.0
137.05983	3.3
137.09647	4.4
139.07581	1.3
141.06004	0.9
141.06888	4.9
142.07793	3.9
143.08563	7.7
143.10652	1.1
145.06471	18.8
145.10120	11.9
147.04420	3.2
147.08054	11.3
147.11693	12.6
149.05969	2.2
149.09608	10.4
151.07481	1.7
151.11166	1.2
153.09070	8.2
153.12758	2.1
155.08507	5.8
156.09453	1.0
157.06512	4.0
157.10124	17.4
159.08083	6.9
159.11652	6.3
161.06013	3.7
161.09607	5.2
163.11230	4.5
165.12788	3.5
167.08582	2.3
169.06461	1.3
169.10158	6.1
171.08061	6.3
171.10162	4.0
171.11705	6.0
173.06158	1.1
173.09602	4.3
173.11810	1.3
173.13283	2.1
175.11171	13.5
177.12735	1.4
179.08580	1.9
181.10144	3.2
183.08032	1.7
183.11717	2.4
184.08946	1.0
185.09584	3.7
185.13287	3.3
187.11226	3.2
187.14857	3.2
189.09375	1.6
189.11218	21.2
189.12781	5.6
191.10461	1.4
193.12236	46.5
195.08089	1.9
195.11714	3.6
195.13530	1.1
197.09666	2.9
197.13293	4.7
199.11217	3.9
199.14854	1.3
201.12730	1.7
203.14299	2.2
205.10420	1.7
205.12277	3.8
205.15958	1.8
207.13864	1.2
209.09584	1.9
209.13284	1.4
211.11201	3.2
211.13213	14.5
211.15025	1.5
213.12756	3.6
215.14278	5.3
217.12204	3.4
223.11191	1.8
223.13264	2.9
225.12746	2.2
227.12695	20.4
229.12274	2.0
231.13815	3.3
233.15350	19.3
235.13271	2.7
237.12698	5.7
239.14325	2.4
241.12222	1.5
241.14421	4.3
243.13809	1.8
245.15430	3.0
249.14787	5.7
255.13786	6.1
257.15424	3.0
259.13315	2.5
267.15894	64.6
271.16953	2.1
273.14847	17.8
275.16574	1.6
281.15372	2.8
287.16470	2.5
289.17987	1.8
291.15915	2.4
321.22049	1.8
331.20251	1.3
339.23148	8.1
341.20966	5.2
349.21619	17.5
350.22211	1.9
357.24326	9.6
367.22672	49.8
368.22748	1.8
385.23706	86.3
386.24124	3.4
403.24792	25.9
404.25052	1.4
405.24173	1.8
413.26752	2.3
415.24863	3.5
423.25568	1.8
433.25800	13.8
441.26257	8.0
449.29269	1.4
459.27420	96.2
460.27417	2.2
477.28473	77.5
478.28925	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	477.3192
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
55.05511	1.8
69.07088	0.9
76.12066	0.9
79.05504	2.0
81.07028	1.5
95.08627	1.9
105.74979	0.9
133.81909	0.9
143.00282	1.0
205.57004	1.0
308.77765	1.2
319.09305	1.2
382.27148	1.0
445.29239	28.7
447.30750	1.7
463.57187	1.0
472.91803	1.1
477.31805	100.0
478.32047	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	478.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16330	1.2
53.03952	6.3
55.01872	5.9
55.05518	6.5
57.03439	8.9
60.04536	1.9
61.02919	2.0
65.62212	1.0
67.05496	7.4
68.99792	1.4
69.03428	52.0
69.07053	2.9
69.44321	4.8
71.01338	2.3
71.04997	9.9
73.02915	1.5
79.05492	10.2
79.70213	1.1
80.05829	1.4
81.03419	39.5
81.07050	11.7
82.97388	1.3
83.01346	3.3
83.04982	3.2
83.08618	4.8
85.02905	60.7
86.03188	1.1
87.00829	35.7
87.04474	5.0
87.69611	1.2
91.05476	6.9
93.07055	7.0
95.04969	4.8
95.08605	5.4
96.04507	2.9
97.02892	87.5
97.06516	2.0
97.10181	5.2
98.23441	2.2
99.04452	25.9
101.02369	3.3
105.01866	21.9
105.07048	5.8
107.04955	3.9
107.08599	4.1
109.02879	15.3
109.06513	2.1
109.10156	3.2
111.08091	2.6
115.03945	2.8
117.07018	2.3
119.08563	1.6
121.06500	2.3
121.10130	2.3
123.11720	1.4
125.01561	10.4
125.09641	3.2
126.05508	1.6
127.03915	100.0
129.07022	1.9
131.08565	3.1
133.06497	1.7
133.10080	1.4
135.07994	1.3
135.11649	1.3
144.06554	1.4
145.04955	59.7
145.10078	2.6
147.11664	1.7
155.08540	1.2
157.10109	1.6
159.02863	3.6
165.06967	2.0
167.06229	5.6
171.02950	2.4
175.11183	1.3
180.09412	2.0
189.11198	1.6
193.12262	1.9
195.11707	10.4
203.02603	1.1
211.13159	2.1
213.03967	2.6
227.12833	1.1
231.04999	52.8
232.05296	1.6
248.07672	6.5
249.06062	20.6
266.08670	9.7
267.15857	1.3
367.22601	1.8
368.23074	1.6
385.23611	4.6
386.23886	2.8
459.26968	5.4
460.27637	1.8
477.28207	5.3
478.28763	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01877	0.5
57.03431	0.5
58.85879	0.2
61.02918	0.7
69.03429	3.7
70.71516	0.3
73.02914	0.6
78.04720	1.9
79.05479	0.4
81.03423	2.5
85.02406	0.4
85.02908	8.7
87.04470	2.0
91.03931	0.4
95.04971	0.4
97.02899	3.3
99.04430	0.7
106.04161	1.0
107.04961	0.3
107.37266	0.2
108.04467	1.6
109.02892	1.2
111.82782	0.3
115.03929	4.4
123.04426	4.6
124.05241	1.6
126.05515	0.3
127.03912	4.0
127.30783	0.3
133.04955	0.7
134.03629	0.4
137.05997	0.4
145.04958	4.0
151.03874	0.7
152.04686	1.4
163.06056	0.5
165.05382	0.4
167.07037	100.0
168.07367	1.5
187.06056	0.3
240.08879	0.3
247.11261	0.3
251.53773	0.3
259.08121	1.0
262.82364	0.2
268.97418	0.3
276.10913	0.4
305.87775	0.3
317.10025	0.5
499.39728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01878	1.9
55.05513	4.1
59.45986	0.8
65.99271	0.7
67.05496	2.9
69.03432	3.9
69.07088	1.9
69.54170	2.7
71.04993	3.0
77.03930	1.1
79.05492	13.8
81.03400	1.4
81.07059	15.2
83.04990	2.2
84.05327	0.8
85.02905	4.5
85.06564	2.4
87.00838	1.3
91.05473	9.7
93.07049	31.4
95.04959	3.9
95.08594	5.5
97.02902	1.1
97.06561	5.1
97.10192	0.9
99.04457	5.5
101.06038	1.0
105.04469	0.8
105.07036	14.8
107.04957	6.7
107.08597	15.9
108.32787	0.8
109.05820	0.6
109.06521	15.1
109.10181	1.1
111.08100	2.5
111.29678	0.9
113.06039	1.0
115.03942	1.5
117.07010	3.1
117.88169	0.9
119.04939	1.0
119.08576	12.6
121.06504	19.0
121.07326	1.5
121.10136	4.6
123.08064	1.5
125.05983	1.4
127.03872	1.9
127.07561	4.0
128.06186	1.3
129.06992	2.5
131.08545	5.6
133.06508	2.8
133.10132	6.9
135.04410	5.2
135.08054	11.0
135.11674	2.5
137.05983	3.4
142.07788	1.9
143.08578	6.2
145.05009	1.2
145.10147	8.2
147.04256	1.1
147.08060	3.8
147.11696	17.1
149.09666	0.9
153.09027	2.0
155.08566	1.1
156.09309	2.2
157.10123	10.3
159.08107	1.7
159.11726	0.9
161.05974	1.0
161.09648	1.5
161.13364	4.3
163.11227	2.9
166.07721	1.0
171.11697	12.7
173.09647	6.4
173.13280	3.1
175.11183	12.2
175.14766	1.5
177.16405	2.7
181.10124	1.6
183.46739	0.9
184.08821	1.0
189.12732	17.8
191.10669	1.8
191.14272	1.1
193.12286	3.1
198.11177	0.9
199.11221	12.5
207.13812	9.6
217.12239	43.2
218.12590	1.1
219.10471	0.8
226.39955	0.9
230.22139	0.8
235.13292	100.0
236.13623	3.5
236.91588	0.9
247.28957	0.8
253.14346	29.0
260.32913	0.8
321.13327	6.7
339.14355	15.0
357.15485	2.2
388.49997	0.8
413.88635	1.0
460.27420	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01861	1.0
57.03423	1.5
61.02917	3.5
69.03127	0.7
69.03430	8.2
71.04976	0.8
73.02901	2.1
78.04695	1.5
79.05457	0.6
81.03416	4.5
85.02900	34.1
86.19424	0.5
86.72633	0.5
87.04485	2.6
91.03948	2.0
91.05473	4.6
97.02894	9.6
98.23512	1.0
99.04436	1.7
106.04148	1.1
108.04473	1.8
109.02873	3.4
115.03928	6.3
119.04958	2.7
123.04422	5.5
124.05205	1.2
126.05503	0.7
127.03905	10.5
133.04939	2.1
137.05971	27.8
138.06378	0.5
145.04953	19.2
151.03995	0.5
152.04752	1.1
161.06039	0.6
163.06020	6.1
163.07347	0.9
167.07031	100.0
168.07370	1.6
259.08160	1.5
277.09418	0.7
325.11292	0.8
465.03470	0.5
467.00006	0.5
478.27942	1.5
502.77719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.4
69.03419	0.6
70.04599	0.8
72.17267	0.3
78.04711	1.8
79.05508	0.7
81.03397	0.4
85.02909	1.3
91.05493	0.4
95.04972	0.4
96.39352	0.3
97.02862	0.5
98.23345	0.4
106.04181	1.3
115.03920	1.4
121.06604	0.3
122.03643	0.6
123.04443	4.8
124.05206	1.4
127.03933	0.9
133.04976	0.7
134.03641	0.6
137.06009	0.4
143.54074	0.3
145.04965	0.8
149.09628	0.4
151.03857	0.7
152.04694	1.2
157.07579	0.5
167.07047	100.0
168.07379	1.4
192.79938	0.4
250.18074	0.4
259.08249	0.4
271.90894	0.3
277.09048	0.8
278.17505	2.5
298.15515	0.6
299.67963	0.3
311.73706	0.3
394.67270	0.3
437.11630	0.3
472.98932	0.3
477.33121	0.3
478.22052	0.4
478.28326	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	478.1987
Annotation	19-Chloroproansamitocin
Peak:m/z	Relative Intensity
50.52562	0.4
57.21970	0.4
59.29851	0.4
69.03551	0.7
69.42854	2.2
79.05642	2.1
85.53999	0.4
86.66753	0.5
91.05602	0.6
95.05104	1.1
103.05000	0.5
103.05563	0.8
105.07211	3.6
107.04368	0.8
107.05134	5.8
123.04625	1.2
124.05328	1.1
125.06130	0.8
131.05124	2.1
132.05873	0.7
133.06706	2.9
134.09802	1.0
137.06169	2.1
138.69780	0.5
139.07700	0.7
147.04567	0.5
149.06161	1.2
151.04117	0.6
151.07664	0.8
152.04831	0.5
153.05473	4.4
160.05305	0.5
161.06206	2.6
163.04100	0.9
163.07697	0.5
165.05687	0.7
167.07043	22.3
177.05728	2.4
181.05080	1.1
181.08797	0.6
191.07253	1.6
192.07907	1.0
193.08592	8.7
195.08313	0.7
197.09843	1.2
207.08313	1.1
209.09900	1.6
210.06854	0.5
210.10623	0.8
213.09209	0.6
218.07491	0.7
219.08217	0.5
220.09143	0.8
222.06879	0.9
223.07800	1.3
223.11295	0.8
224.08575	2.1
225.09190	2.9
232.08975	0.9
233.09869	2.1
234.10498	0.4
235.07785	2.0
235.11287	1.2
236.08582	1.0
237.09013	2.6
238.06438	0.7
238.09897	4.2
239.10861	1.8
240.11546	1.1
247.07787	0.5
248.08566	1.2
249.09056	2.2
250.10127	1.1
251.07336	1.7
251.10583	2.9
252.07935	0.7
252.11726	1.5
253.08592	20.2
253.12436	1.9
254.09502	1.4
261.09396	2.0
262.09821	2.3
263.07370	0.8
263.10822	2.2
264.08069	0.7
265.08975	0.8
265.12476	3.1
267.10101	5.6
268.10931	5.4
269.11652	2.5
270.12811	1.4
275.10907	1.4
277.08835	1.1
278.09424	3.6
279.10541	2.1
280.10962	3.4
281.11725	5.9
282.12509	0.5
291.10107	3.4
292.11093	1.6
293.11734	6.7
294.12750	2.0
295.13495	1.2
296.14291	0.8
305.11667	2.1
305.20200	0.5
306.12711	1.4
307.13565	0.9
311.10571	0.5
312.11395	0.6
313.12250	0.5
323.10989	0.6
325.12531	1.4
327.10284	0.8
329.11905	0.6
336.11252	0.5
339.10281	0.7
340.10959	0.6
341.11905	1.3
342.08890	0.6
342.12439	1.0
343.13422	1.1
352.11218	1.1
353.11908	2.1
354.12689	1.2
355.09702	1.0
355.13608	0.8
356.10416	0.9
356.14337	0.5
357.15030	1.1
359.12732	0.6
367.13495	1.2
369.10889	2.3
370.12106	1.9
371.12799	2.6
372.09781	0.7
372.13959	0.6
381.11169	1.4
382.11990	0.7
383.12936	1.3
384.09485	1.1
384.13690	2.0
385.14276	3.4
386.15082	1.1
387.12277	1.9
389.13806	1.1
395.12909	1.0
396.13644	0.7
397.10141	0.7
397.14493	2.1
398.11060	2.1
398.15939	0.7
399.11771	2.7
399.16397	1.3
401.14005	1.2
402.14658	1.8
411.15790	0.6
412.12885	2.3
413.13846	6.4
414.14630	11.1
415.15613	0.8
416.16412	0.6
417.16953	1.8
419.18542	2.3
427.15509	3.4
428.16226	2.5
429.17001	27.2
430.13724	1.4
432.15598	0.9
445.16467	5.7
447.17957	2.2
448.18784	8.8
459.18042	2.4
460.18777	100.0
461.19183	4.0
478.19882	36.7
479.20340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33337	2.6
54.87249	3.1
54.95926	2.9
58.37878	3.4
68.46085	2.9
69.15672	9.6
69.16099	11.1
70.06583	4.6
91.05457	6.5
102.93473	3.2
103.05461	43.3
105.07021	14.2
115.05461	6.4
119.04994	7.3
131.04927	100.0
133.06496	11.7
137.06000	8.9
139.40384	3.1
147.04422	11.1
161.05986	44.4
163.07538	41.6
179.07040	19.6
199.07513	4.0
231.08015	4.2
291.10123	12.7
323.12662	7.5
351.12192	8.5
383.14822	6.1
415.19394	3.6
434.61996	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	478.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
58.61058	1.2
62.02196	1.1
67.05515	1.8
69.03428	3.1
69.30064	2.7
69.30466	4.4
70.06591	13.5
71.04987	1.5
79.05490	5.2
81.07066	2.6
83.01338	3.6
91.05477	1.7
95.08598	2.3
97.06538	7.9
98.06078	2.2
98.22692	2.4
99.04454	3.7
102.13756	1.4
105.07003	1.8
107.04974	3.0
109.06515	1.5
110.06054	1.8
115.03928	1.4
120.08155	1.7
122.09674	4.7
124.07625	1.6
125.05989	23.2
135.04326	1.5
137.05917	2.2
138.09172	1.7
140.07100	1.7
150.09129	5.5
153.05371	1.8
155.03384	14.5
165.05432	1.1
166.08641	2.2
168.10211	1.9
171.06604	1.6
172.46539	1.2
180.10182	16.3
183.06540	1.3
196.09642	6.5
207.06624	1.2
218.11850	2.6
220.13268	1.6
231.10229	1.6
238.10793	1.9
250.14389	1.5
254.13853	87.8
255.14256	3.0
262.14441	1.4
263.09103	1.8
274.14114	1.3
276.12344	1.6
278.13742	2.6
290.13907	3.1
294.13287	1.6
400.17294	1.9
428.17056	4.1
432.37921	1.3
446.18158	4.0
460.19464	3.0
478.20685	100.0
479.20795	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	478.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
65.03930	1.6
66.62367	1.3
67.05507	11.1
68.05022	1.3
69.03429	17.2
69.07077	1.4
70.06590	1.9
70.63050	1.7
71.04997	4.1
75.57503	1.2
79.05505	5.3
81.07061	3.6
83.01373	3.2
83.04977	2.3
86.06066	3.7
87.59970	1.4
87.86150	1.1
91.05484	8.8
92.06271	2.0
93.07048	4.7
94.06584	2.6
95.04983	5.9
95.08634	4.9
96.04507	1.5
98.06067	3.1
99.04459	4.2
105.07056	4.0
107.04930	1.7
107.08613	1.5
108.08138	4.0
109.06546	4.8
110.09704	3.2
117.07040	2.5
119.04908	1.3
119.08607	1.2
120.08097	2.4
121.06531	3.1
122.06069	2.0
123.04453	1.6
127.03934	3.5
131.08617	1.8
133.06500	1.5
134.06056	1.3
136.07591	9.0
136.08504	1.2
137.06000	3.6
138.09145	5.0
143.08568	2.2
145.10193	1.8
146.06033	1.5
146.09633	1.8
148.07581	2.4
150.05450	1.7
150.09167	2.2
151.03943	3.8
152.07065	2.0
155.03458	4.1
155.07047	5.5
157.31244	1.3
160.11249	1.3
163.52324	1.2
164.07083	6.1
164.10735	3.7
164.98376	1.2
165.05516	5.5
166.08682	2.1
167.07088	1.9
168.06686	1.3
168.10271	2.1
173.09636	2.4
174.09181	3.8
176.10765	2.8
179.07114	2.3
181.08650	3.2
183.06544	13.5
184.07381	2.7
188.10638	7.9
188.14334	2.2
189.09158	1.2
189.11522	5.1
190.12390	5.2
192.10269	1.3
198.12747	1.5
200.10783	3.1
200.14351	1.9
202.12257	3.1
204.10239	2.5
208.09717	2.6
214.12230	2.1
215.10765	1.9
216.10277	4.8
216.13666	6.9
217.08578	3.7
217.11011	3.5
217.14569	6.5
218.11784	6.6
220.09676	2.8
231.10176	3.7
244.13229	8.2
246.11246	3.4
246.15057	2.8
247.09674	7.4
249.11234	8.5
264.12073	1.3
269.11758	1.7
272.12881	2.5
274.14450	2.7
276.12482	4.5
278.13831	17.1
306.13400	3.8
335.97791	1.5
340.15405	1.8
344.18558	1.5
350.27951	2.3
354.16995	3.4
372.17993	21.6
382.16571	8.2
400.17523	100.0
401.17935	4.0
402.15179	2.2
418.18604	2.9
428.16861	3.9
432.19977	7.0
433.20343	2.5
434.18121	2.1
446.18100	78.2
447.18378	3.3
460.19678	94.9
461.19968	4.6
478.20828	58.4
478.32208	14.5
479.21143	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	478.2228
Annotation	(+)-SNF 4435D
Peak:m/z	Relative Intensity
53.03921	0.3
55.01827	0.7
55.05504	1.3
55.46967	0.2
57.03393	0.7
67.05514	1.5
68.05807	0.4
69.03378	0.9
69.07035	0.7
70.74317	0.4
71.04957	0.5
79.05506	1.4
81.03400	2.2
81.07061	1.7
82.07365	0.4
83.04942	0.8
83.08549	0.8
85.02858	1.1
85.06517	0.6
87.00784	0.4
87.83800	0.2
91.05482	1.4
92.05759	0.3
93.06995	1.0
95.08558	0.8
97.02859	0.4
97.10126	0.8
99.04407	0.6
105.06991	1.1
106.07277	0.3
107.04916	0.6
107.08542	1.0
109.02837	0.4
109.06446	0.6
109.10092	0.8
113.05969	0.2
117.06979	0.6
119.08546	1.0
121.06478	0.7
121.10101	0.8
125.05968	0.3
125.09586	0.4
127.03866	0.9
129.06938	0.8
130.07355	0.4
131.08513	0.4
133.06462	0.3
133.10074	0.7
135.08025	0.4
139.03896	0.3
139.07471	0.3
145.04944	0.4
145.06378	0.3
145.10065	0.4
147.04337	0.3
147.08043	0.4
147.11597	0.3
149.09608	0.3
155.08514	0.3
157.09929	0.3
163.07518	0.6
169.10016	0.3
170.09671	0.3
171.10368	0.4
172.11189	1.6
173.09473	0.3
177.16312	0.7
188.82356	0.3
189.11134	0.3
193.10295	0.3
193.12253	0.7
194.12651	0.3
196.11206	0.7
207.06497	1.6
208.11101	0.3
210.09039	0.3
210.12665	0.3
212.10753	0.3
213.14760	0.6
224.14362	0.5
227.12761	0.3
248.10593	0.3
249.15131	0.3
250.12532	0.3
252.10153	0.5
252.13808	1.7
254.11711	1.0
255.12338	0.6
256.13528	0.5
262.12216	0.2
264.13708	0.4
264.17487	0.3
266.11774	2.2
267.15976	0.4
268.13455	1.7
268.16080	0.4
270.14899	0.3
276.13907	0.4
277.14813	0.4
278.11758	1.3
278.15042	0.4
280.13297	0.6
281.14072	1.2
288.13785	0.3
290.15189	0.3
292.13312	0.6
292.16742	0.6
304.13422	0.3
306.14838	0.6
306.18387	0.6
320.16556	0.5
348.15781	0.4
352.15158	0.5
352.19128	0.4
353.15967	0.5
358.24426	0.3
364.15424	1.1
365.15936	0.4
366.17102	0.8
368.22974	0.6
376.15225	0.7
376.19385	0.4
378.16962	0.3
379.17773	0.6
380.18561	36.1
381.18808	1.4
386.23923	1.2
391.21506	0.8
392.18497	1.6
404.18488	0.3
404.24884	0.5
450.22751	1.6
460.27759	1.5
463.19763	0.3
478.22266	100.0
479.22870	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	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01870	3.8
57.03434	6.3
60.05650	3.1
61.02927	8.6
67.20058	1.5
69.03432	32.9
69.07048	2.5
69.20618	4.5
69.21007	2.9
70.06603	2.0
71.05013	3.3
72.08157	3.2
73.02911	9.8
79.05513	2.9
80.05018	2.3
81.03423	14.8
81.07056	4.1
83.08627	2.6
84.08134	3.3
85.02906	100.0
86.09708	5.7
87.00848	2.7
87.04466	22.1
91.03956	7.6
91.05524	1.6
93.07063	6.7
95.08611	8.3
97.02893	33.1
97.06560	2.1
98.22774	3.2
98.75031	1.7
99.04472	6.9
99.08047	1.9
105.01851	2.5
105.07021	4.0
107.08598	5.9
108.04485	7.1
109.02879	11.9
109.10184	2.6
115.03932	82.9
119.08642	1.8
121.10152	36.5
122.09717	4.2
123.11726	2.5
126.05523	2.4
127.03912	46.4
133.04965	37.4
139.11174	10.2
145.04962	63.4
146.37553	1.4
149.09615	36.4
149.10811	1.9
150.09128	1.9
163.03946	1.7
163.06018	8.0
167.10692	27.6
168.10216	5.5
172.94559	1.5
177.16389	21.0
195.17386	2.3
213.18454	3.6
223.27402	1.6
233.11650	1.9
241.07120	2.5
259.08096	14.9
265.15002	2.0
276.10754	2.4
277.09161	25.8
277.11905	2.7
288.30469	1.7
317.06741	4.1
363.85800	1.6
425.17966	2.2
478.22784	2.0
478.28891	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	478.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01874	2.9
55.05526	5.7
61.02909	4.2
67.05521	3.0
69.03430	8.0
69.07064	11.1
69.11041	7.8
69.11443	5.6
71.05000	3.8
79.05484	2.9
81.03412	4.5
81.07038	10.7
83.08613	6.0
83.35780	2.2
85.02911	22.2
85.06551	2.4
85.46296	1.8
87.00825	11.7
89.95208	2.0
93.07032	10.1
95.08612	25.7
97.02885	7.2
97.10174	4.8
99.04416	3.6
99.08097	6.7
105.01873	17.2
105.07055	1.9
107.08597	28.7
109.02863	5.3
109.10153	6.7
121.10149	46.8
125.09615	2.3
127.03911	14.1
135.11693	9.9
137.13272	4.5
145.04958	8.5
149.13322	4.3
159.02919	2.5
175.15028	2.5
177.16405	100.0
194.10356	2.0
195.17432	21.3
213.18478	13.8
220.74231	1.9
231.05034	4.5
311.26993	2.1
350.80597	2.1
358.44226	2.2
392.41058	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	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60683	3.5
53.03946	9.3
55.01860	5.3
55.05501	8.7
57.03441	6.7
61.02937	9.4
63.26880	3.4
66.02279	3.4
67.05501	11.3
68.99813	4.4
69.03433	45.3
69.07069	10.4
71.04985	11.6
71.44851	4.2
73.02923	6.9
79.05486	11.6
79.32746	4.5
81.03426	22.8
81.07057	21.4
83.08614	6.9
85.02406	6.2
85.02913	100.0
85.06544	10.4
85.85639	4.4
87.00834	63.0
87.04508	4.2
91.05471	7.4
93.07046	20.4
93.50336	3.8
95.08614	27.5
96.08912	4.3
97.02892	57.4
97.10160	4.1
99.04451	11.2
105.01869	89.3
105.07024	11.3
107.08605	38.0
109.02882	34.8
109.10151	12.5
115.03933	6.0
119.08601	10.0
121.10140	50.8
123.11724	4.2
124.60937	3.6
127.03924	84.1
133.10159	9.5
135.11670	11.4
145.04955	47.5
147.11678	5.2
149.13246	8.5
159.02914	12.3
167.07095	4.7
167.08508	10.1
175.14868	9.8
176.15196	5.4
177.16399	71.1
181.05101	4.2
195.08121	10.8
195.17430	10.6
201.16563	4.1
213.14839	5.5
231.04977	29.8
249.06126	13.5
290.10538	4.2
434.18356	4.0
478.17453	13.7
479.18851	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	478.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
54.79721	1.9
55.01870	2.0
55.05513	10.6
57.03437	2.8
64.32689	1.8
67.05504	19.8
68.05843	2.0
69.03432	4.7
69.07078	10.5
70.21509	1.7
71.04991	3.4
77.03951	1.7
77.29951	1.5
79.05495	29.4
80.05846	2.4
81.03439	8.7
81.07062	21.0
82.07406	3.5
83.04990	6.5
83.08635	6.8
85.02920	7.7
89.11581	1.3
91.05486	21.2
93.07049	32.2
95.04974	10.6
95.08616	19.2
96.08968	1.7
97.02917	2.8
97.06547	4.2
97.10167	5.2
98.10413	1.5
98.23534	3.4
99.04459	2.5
105.01860	2.6
105.04551	2.0
105.07023	13.9
107.04977	5.9
107.08604	13.6
109.02859	2.6
109.06537	4.1
109.10152	7.5
111.08070	2.4
117.07048	3.7
119.08598	13.1
121.06487	2.2
121.10143	12.4
123.08128	1.8
123.11690	2.7
125.09658	3.2
127.03939	5.6
129.07005	7.8
131.08517	2.0
133.10159	6.5
135.11716	3.6
137.06035	1.8
137.09671	2.3
137.13293	2.3
143.08569	4.6
145.10149	4.7
147.08055	2.1
147.11685	15.5
151.07597	1.8
151.11191	1.7
161.13287	4.4
171.11690	10.4
173.13329	1.7
177.16400	21.2
189.12788	3.5
195.17465	4.9
195.65646	1.6
204.84476	1.8
207.06429	2.0
207.13809	16.1
246.11279	2.2
279.79242	1.7
281.17480	100.0
282.17789	3.1
297.07086	1.6
299.18539	2.5
368.23224	3.8
380.18552	29.6
386.24210	7.3
391.21463	1.7
404.25540	2.4
433.20773	6.8
435.19797	3.5
446.18692	1.9
460.27969	4.5
478.22180	96.7
478.28528	5.9
479.19107	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	478.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01863	8.3
55.05508	9.2
57.03455	3.8
58.59248	2.8
61.02929	10.7
67.05492	9.9
69.03426	37.8
69.07065	12.7
71.04990	7.4
73.02914	8.9
79.05494	11.5
81.03410	24.4
81.07048	16.7
83.04985	3.5
83.08601	4.8
85.02403	5.4
85.02908	100.0
85.06537	7.2
87.00829	55.2
91.03944	3.5
91.05474	6.1
93.07061	25.2
95.04971	3.3
95.08620	23.1
97.02889	62.8
97.10160	4.1
99.04462	15.4
99.08117	4.3
99.57048	3.0
101.19783	2.5
105.01869	94.7
105.07026	12.2
107.08580	26.0
109.02881	30.2
109.10152	10.9
115.03962	4.1
117.01870	3.7
117.06950	4.0
119.08577	19.7
120.08932	5.6
121.10130	35.7
123.11720	5.3
127.03912	76.9
131.08559	4.0
133.10132	13.8
134.10440	3.5
135.08075	3.5
135.11708	24.0
145.04964	49.5
145.06161	4.6
145.10120	4.9
147.02820	4.1
149.13200	4.0
151.07526	6.2
157.10088	3.0
159.02898	14.5
159.11687	4.1
161.13252	3.7
165.09207	3.0
173.13251	4.3
175.14825	18.9
176.15134	7.4
177.16412	46.7
189.03989	3.8
191.10542	3.0
195.07950	3.7
195.13789	3.6
195.17461	6.5
201.16394	3.1
213.04082	2.8
230.18381	3.8
231.04990	28.3
243.17497	3.0
244.09508	3.5
249.06058	10.5
285.18488	6.9
304.94531	2.6
311.51309	2.6
329.08566	3.0
407.20615	2.8
478.28281	3.1
479.18930	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03939	0.7
55.05516	11.1
57.03445	7.5
57.07074	2.2
65.03934	0.9
67.05509	25.5
69.06712	1.0
69.07075	15.3
69.11427	3.3
69.11834	0.9
71.05012	0.8
71.08643	1.1
79.05489	6.2
81.07060	24.4
83.04961	1.1
83.08630	7.3
85.06544	0.9
91.05475	4.0
93.07050	6.9
95.08615	18.1
97.06547	1.6
97.10184	4.2
105.07021	2.5
107.08592	3.7
109.10155	7.9
111.08086	0.8
111.11669	0.6
119.08580	3.0
121.10146	2.9
123.11724	2.5
125.09635	0.7
133.10139	2.4
135.11703	0.8
137.13240	0.8
147.11676	1.8
149.13342	0.8
161.13264	1.2
195.62819	0.6
198.05345	1.1
263.23709	1.3
306.28012	3.0
311.12854	0.6
337.27380	100.0
338.27655	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	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.31256	0.9
53.03973	1.2
55.05516	11.4
57.03444	4.1
57.07083	1.7
62.06094	27.3
67.05508	30.6
69.07073	13.7
69.23623	2.1
69.24028	5.2
79.05499	8.0
81.07059	27.6
82.07420	1.1
83.08623	6.7
91.05501	4.0
93.07030	6.9
95.08609	21.3
97.10186	3.9
98.06077	3.0
98.98483	8.5
105.07043	3.7
107.08600	4.5
109.10172	6.5
119.08626	1.4
121.10149	4.1
123.11724	3.0
124.01556	1.9
133.10138	2.0
135.11693	1.7
155.01045	4.3
163.14818	1.1
173.02255	1.3
198.05298	1.7
216.06351	2.9
245.22571	1.3
263.23761	7.3
268.19070	1.3
306.27914	28.7
337.27368	100.0
338.27701	3.2
460.28275	5.7
478.29230	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	478.2931
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05457	6.0
57.03377	0.8
57.07024	2.5
62.06031	5.9
65.03915	0.7
65.29082	0.6
65.37691	0.5
67.05501	9.9
69.07069	7.1
69.94632	1.9
70.06595	4.9
71.08571	1.1
79.05425	2.7
81.07055	9.2
83.08607	3.0
85.05236	1.6
85.10103	1.0
86.06004	0.5
88.07638	4.9
91.05431	1.1
93.06978	2.4
95.08599	6.8
97.10090	1.4
98.06051	8.3
98.22802	0.8
98.98409	1.5
102.09190	3.6
105.06976	1.1
107.08560	1.2
109.10141	3.2
110.99221	0.7
111.08093	0.6
112.07563	1.1
121.10085	0.8
123.11660	1.0
124.93748	0.6
133.10092	1.0
135.11661	0.7
135.63307	0.6
137.80107	0.6
145.02745	0.6
149.02347	17.7
149.03462	1.3
149.13147	0.7
153.30077	0.8
154.71297	0.6
161.31465	0.6
173.02080	0.8
177.05400	1.1
188.65900	0.6
193.03137	1.1
193.04958	24.1
196.17029	1.0
216.06239	1.2
263.23703	1.3
306.27905	100.0
307.28268	2.5
312.32596	9.6
332.10052	0.7
337.27362	20.1
338.28104	0.8
378.73257	0.6
478.20532	1.7
478.35355	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72887	2.0
55.36016	1.6
59.57068	2.1
64.60784	1.7
66.18264	2.0
69.98089	2.1
70.70747	4.4
94.93010	12.4
130.52345	2.0
133.09035	1.9
136.94014	74.7
140.94945	2.1
148.94029	18.2
150.60272	1.8
166.95079	30.6
178.95053	2.2
196.96136	10.9
220.96097	2.3
234.68614	1.7
238.97087	2.6
256.98206	20.7
305.61786	2.0
377.09793	2.5
379.96381	2.0
381.07916	100.0
419.03488	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84692	3.1
56.29152	2.6
63.52743	3.0
70.28730	4.8
70.29091	3.3
71.44427	2.8
89.29298	3.2
94.93036	9.6
98.97631	3.3
112.89597	16.3
114.89354	21.1
136.94025	70.5
148.94026	20.4
161.03014	3.9
166.95087	36.4
196.95148	66.6
203.02362	3.4
208.95169	3.5
214.89398	17.0
214.96388	16.5
226.96297	22.4
243.01973	3.3
245.05128	3.9
256.90527	17.7
256.97412	44.1
286.98212	5.0
298.98431	12.0
316.92673	3.5
316.99191	5.0
340.43344	3.4
381.07938	100.0
419.03397	64.1
419.08435	5.3
479.11139	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1162
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
51.72313	0.5
69.03333	0.5
70.96912	0.6
90.84305	0.5
96.92810	0.5
98.97569	0.9
101.00854	1.3
119.01914	1.5
143.01909	6.2
161.02960	5.9
173.02965	0.6
219.01723	0.5
221.03224	0.7
228.54807	0.6
230.55515	0.5
245.02859	0.6
245.05125	1.8
257.02722	0.5
257.05060	3.7
275.06018	0.8
278.92453	0.5
317.08020	0.7
359.08072	0.6
461.10855	1.2
479.11581	100.0
480.12070	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	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.48339	0.2
53.03941	0.4
55.01871	0.5
57.03433	1.0
61.02928	2.2
69.03433	3.5
69.54811	0.5
69.55192	0.5
71.04987	0.5
73.02924	0.5
81.03416	1.7
85.02906	10.0
87.04446	0.3
91.03967	0.7
92.02624	1.0
93.03400	1.0
96.66614	0.3
97.02898	3.6
99.04446	0.4
109.02880	0.8
121.02885	0.9
126.03089	0.3
127.03919	1.9
133.80197	0.2
139.03903	0.7
145.04965	1.5
151.03902	0.7
153.01831	7.3
165.01840	0.8
178.23520	0.2
200.04796	0.5
201.05492	0.8
203.03421	0.6
217.04950	0.6
218.05798	0.3
219.02988	0.3
228.04236	1.6
229.04938	3.2
231.02951	0.5
243.06602	0.3
245.04546	1.5
246.05269	1.5
257.04468	2.2
260.03146	0.5
261.07559	0.4
267.36224	0.3
273.03949	1.9
274.04684	3.6
284.03189	0.6
285.03928	4.1
285.06833	0.5
286.04373	0.3
301.03751	0.3
302.04211	12.2
317.06543	100.0
318.06882	4.4
385.48129	0.3
498.95514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
55.66897	0.2
57.03427	0.4
61.02926	6.7
62.82713	0.2
68.18344	0.2
68.99806	0.2
69.03423	1.2
69.35664	0.6
69.36069	0.5
71.05080	0.2
72.83434	0.2
73.02912	1.7
81.03412	0.3
85.02903	5.8
86.69338	0.2
91.03953	3.1
92.02615	0.9
93.03401	1.2
97.02895	2.9
99.04443	0.4
107.62092	0.2
111.00761	0.3
115.03913	0.3
121.02862	0.9
126.03173	0.4
127.03912	0.8
137.79617	0.2
139.03888	0.8
145.04955	0.8
150.43674	0.2
151.03900	0.7
153.01823	7.2
153.03073	0.4
165.01834	0.6
183.02773	0.2
200.04694	0.2
201.05513	0.7
203.03407	0.3
217.04924	0.7
218.05774	0.5
228.04208	1.3
229.04979	2.9
231.02910	0.3
245.02263	0.2
245.04405	1.2
246.05257	1.2
256.03683	0.3
257.04440	2.2
260.03244	0.3
261.07428	0.2
273.03989	1.8
274.04715	3.7
284.03162	0.3
285.03928	3.9
286.04639	0.4
301.03647	0.2
302.04196	12.4
303.04514	0.3
317.06540	100.0
318.06882	3.9
350.38571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	7.2
67.32574	2.3
70.01918	4.6
70.02235	3.6
78.21459	2.2
98.97585	44.9
116.98621	9.5
133.06493	3.3
157.10071	3.1
158.99742	3.2
175.11177	6.7
199.95093	2.2
273.07986	56.6
291.09116	16.4
315.09039	10.1
320.17801	2.4
322.45044	2.2
333.10135	8.6
362.12906	2.6
393.12222	2.9
435.14172	8.7
479.13168	100.0
480.13641	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	479.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.6
51.02372	1.0
53.03953	1.9
55.01862	0.6
65.03945	0.5
67.05518	0.5
69.34029	1.8
71.01344	1.0
77.03913	2.3
79.05476	0.7
81.03400	0.5
92.62708	0.4
95.04971	11.0
103.05457	1.1
105.03394	100.0
105.04408	6.1
105.07011	2.4
106.03738	1.3
107.04952	0.9
108.02066	0.5
111.04454	0.6
112.09355	0.4
118.04179	1.1
118.06554	0.5
119.04931	0.5
123.04438	0.6
125.06007	1.1
131.04941	1.3
133.02985	0.4
133.06497	2.3
135.04433	1.4
137.06000	0.8
141.05557	0.5
146.03625	5.1
146.07268	0.4
147.04396	1.1
149.05989	0.6
150.06729	0.7
151.03914	16.5
151.04996	1.4
153.05444	1.7
159.08104	0.7
161.05981	27.9
162.06381	0.7
163.03931	0.8
163.07608	0.4
165.05409	0.5
167.06982	0.5
175.07585	0.6
177.05522	1.0
178.06235	4.9
179.06946	0.5
183.98714	0.3
187.07533	3.3
195.06477	2.2
196.07289	2.8
215.07088	0.6
283.09625	0.4
284.10501	0.4
307.09451	0.7
403.43341	0.4
479.29987	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	479.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.9
55.71619	0.8
57.03441	0.9
58.52773	0.8
67.05504	1.0
69.03442	6.2
69.06715	1.7
69.07072	26.7
70.06585	1.8
71.04973	1.0
73.02922	0.9
81.03430	6.5
85.02909	11.4
87.04451	2.2
91.03965	0.9
95.04964	2.2
97.02891	9.0
97.06553	3.9
99.04450	2.2
103.03959	1.5
108.47517	0.8
109.02857	5.2
112.07596	3.0
115.03935	7.0
123.04422	2.0
126.05532	1.1
127.03909	7.7
133.04977	1.2
136.07584	1.0
140.07077	37.8
143.13913	0.7
145.04997	3.0
157.04907	0.9
167.07063	3.4
168.06567	100.0
169.06902	1.5
182.08173	8.7
186.07623	36.9
187.07993	1.5
200.07092	0.7
206.08144	3.1
210.07646	14.8
228.08676	3.9
234.07655	2.9
248.09280	1.7
252.08658	2.3
259.08292	1.0
264.08667	2.0
276.08633	4.0
279.85876	0.8
294.09778	3.6
312.10696	5.9
330.11826	14.8
348.12930	14.4
363.09689	0.8
393.12674	1.0
398.71967	0.8
426.14066	0.8
444.14993	5.1
445.28088	0.9
459.20908	1.0
479.20847	1.5
480.07758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.88583	0.5
60.41956	0.5
63.03467	0.4
69.07051	0.9
71.11777	0.7
81.07056	1.0
95.08639	0.9
110.73409	0.4
124.93771	64.8
142.94812	34.6
149.02332	0.6
175.57355	0.5
194.73077	0.5
198.97464	4.1
199.73595	0.6
276.84869	0.5
284.17236	0.5
308.29468	4.2
339.28891	0.9
349.82413	0.5
377.26678	0.7
404.40198	0.5
461.20444	12.4
462.21320	0.6
479.21442	100.0
480.21719	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	479.2617
Annotation	Striatin C
Peak:m/z	Relative Intensity
55.05506	2.0
57.03432	1.5
59.05020	1.0
60.02707	0.7
60.95203	0.8
60.98832	0.6
67.05516	6.2
67.76949	0.7
69.07069	2.0
79.05495	2.9
81.03417	2.3
81.07072	6.0
83.08632	1.8
85.02896	1.7
91.05498	2.8
92.05849	0.7
93.07049	4.2
95.04926	1.8
95.08607	1.8
97.06521	0.9
97.10132	0.7
105.07038	3.1
107.04984	0.9
107.08611	2.6
109.06454	0.9
109.10151	4.6
111.08114	1.6
119.08611	1.5
121.06522	1.0
121.10136	1.3
131.08603	1.5
143.07344	1.1
156.47334	0.7
157.10168	1.3
172.12021	0.8
175.11142	0.8
186.12724	1.6
193.12215	1.3
194.12431	0.7
195.09973	3.1
211.13261	1.3
229.14355	1.3
242.15353	0.7
251.12573	4.5
307.15112	4.7
351.22971	0.7
387.24741	1.0
415.65231	0.8
438.19104	4.2
461.28403	2.3
479.26080	100.0
480.26346	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	479.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.9
56.05027	5.5
57.03434	7.2
57.07076	13.9
58.07424	4.7
67.05502	11.6
69.07071	21.2
69.13229	20.8
71.07378	14.6
71.08644	7.7
81.07055	13.0
83.08620	16.9
85.10213	3.7
86.09706	83.5
87.10021	17.9
93.07056	9.1
95.08614	27.0
97.10158	7.9
98.98472	11.5
99.87378	3.5
102.50388	3.5
104.10746	4.7
109.10167	10.0
121.10167	7.0
123.11671	5.2
125.00021	23.0
136.99991	4.8
163.01558	24.3
181.02579	3.8
184.07350	8.6
198.96976	4.2
308.29471	5.0
339.28909	82.0
393.22482	6.0
395.64389	4.4
420.25775	6.7
478.32852	16.2
479.27457	51.5
479.33246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17871	1.5
70.18237	0.7
81.75615	0.7
96.38290	0.6
115.93935	0.6
153.24922	0.7
265.78458	0.7
387.25262	1.8
393.22488	12.9
410.32019	0.7
438.22144	1.1
461.28723	31.7
462.29163	1.7
462.94763	0.8
479.29803	100.0
480.30078	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	480.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.3
55.05514	8.8
56.24119	5.3
57.03452	8.0
58.71838	6.2
58.84813	5.6
63.52075	5.8
69.03424	18.7
71.04989	33.5
79.05496	7.0
81.07050	19.2
85.02914	15.6
95.08555	5.0
98.22603	12.9
98.97614	5.4
99.04454	18.6
106.06497	7.0
109.06481	11.9
117.06944	7.2
118.90011	5.4
120.08087	9.2
122.09688	5.3
127.07543	6.9
131.07343	5.3
132.08128	11.2
134.09555	5.9
146.05984	10.1
148.07597	13.6
160.07640	13.4
160.11308	14.5
162.09160	16.9
167.07175	6.4
170.09673	13.4
174.09143	7.4
178.08630	10.3
179.09479	7.5
182.15329	14.0
186.09087	9.8
188.07066	6.1
188.10687	27.3
190.08662	7.6
192.10153	10.4
198.09116	26.4
199.09892	9.7
200.10712	8.0
200.80812	5.5
204.10333	8.9
205.07397	7.3
206.08081	35.8
207.08888	23.0
210.14822	13.7
211.15201	5.7
213.11205	5.6
216.10194	67.4
219.01721	6.5
224.09167	76.5
226.08638	15.9
230.11853	5.9
234.11267	37.9
236.09135	12.9
237.09894	25.8
238.10747	17.0
244.09726	20.3
258.11359	13.8
270.15002	10.6
272.12674	6.1
286.14352	27.5
287.15021	9.2
288.15875	26.6
296.12708	9.5
298.14252	7.9
304.11945	7.2
304.15344	17.7
305.16193	8.3
314.13840	32.1
315.14343	6.4
316.15381	14.9
318.16953	7.4
332.14856	43.6
334.16098	6.7
342.13425	17.0
346.16617	10.3
360.14407	100.0
364.17407	13.2
374.16132	27.9
378.15405	26.0
392.16995	94.5
393.17194	7.4
437.32108	9.4
448.19833	13.5
462.17038	9.4
480.22241	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57084	1.3
53.03953	2.2
54.30675	1.2
55.01888	2.7
55.05512	1.6
57.03439	1.7
61.02902	1.4
62.42373	1.4
68.99777	2.4
69.03418	6.8
71.04993	1.8
73.02914	1.8
76.51810	1.3
79.05494	3.4
81.03413	5.7
81.07072	3.0
81.67598	1.3
85.02905	18.0
86.09698	1.3
87.00827	6.5
91.05463	7.0
97.02901	6.1
98.23423	4.3
99.04468	3.8
103.05495	3.1
105.01848	8.1
105.07028	100.0
109.02888	5.3
109.06518	4.3
123.04430	3.9
127.03917	14.2
137.05974	52.6
145.04991	10.0
159.02884	4.4
168.57851	1.4
170.15437	1.9
189.03824	2.8
215.10672	94.2
216.10957	2.3
222.53067	1.6
231.04942	3.3
239.10669	14.4
257.11664	12.7
281.11716	7.0
305.11633	3.7
323.12772	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	480.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01868	0.6
57.03432	0.8
59.05026	0.2
60.04515	0.2
61.02927	1.2
69.03430	3.4
69.07079	0.2
69.52312	0.8
70.06586	0.3
71.05002	0.4
71.77063	0.2
73.02897	0.6
73.20438	0.2
77.03928	0.4
79.05518	0.3
81.03410	1.3
84.04549	0.2
85.02908	14.4
87.04482	0.5
91.03962	0.6
91.05482	2.0
93.07050	4.1
95.04984	1.2
97.02888	4.4
97.06549	0.3
98.22690	0.2
99.04459	0.5
103.05476	3.8
105.04516	0.4
105.07026	0.3
109.02894	1.4
115.03932	0.9
116.77628	0.2
117.06979	0.3
121.06508	100.0
122.06811	1.3
126.05394	0.2
127.03917	4.0
130.15926	0.3
133.06509	1.0
139.07547	18.9
140.07030	0.3
145.04970	6.0
145.06337	0.4
145.06540	0.5
151.07545	0.4
157.06525	0.3
159.08061	0.5
163.06038	2.7
163.07375	0.4
167.07043	1.0
168.06538	0.3
169.05058	0.2
171.08083	0.3
185.08142	0.2
186.07690	0.3
187.05978	0.4
187.07516	2.4
204.08673	0.7
205.08617	2.1
210.07533	0.3
229.08640	1.1
246.09674	0.3
247.09676	1.1
265.10748	0.8
283.11761	0.5
301.12921	0.6
370.15659	0.2
444.19437	0.3
480.21246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01871	1.2
57.03449	0.7
60.04509	0.7
65.03931	2.2
69.03416	2.1
69.63010	2.1
70.06580	2.4
72.08141	1.1
75.04488	3.3
75.74957	0.6
77.03928	0.9
78.04702	2.6
79.05507	1.4
81.03396	1.6
84.08138	1.7
85.02887	4.2
86.09713	4.4
89.03925	0.9
89.06019	1.1
91.05485	10.5
93.03414	9.2
93.07039	3.8
95.04990	3.5
97.02879	2.6
97.06538	1.8
99.04411	1.0
103.05463	5.1
105.04530	1.7
105.07015	1.9
106.04169	22.6
107.04948	2.7
109.02875	1.3
109.06569	1.1
109.07457	0.7
117.03405	0.9
118.04152	0.8
119.04945	2.3
120.08086	3.3
121.02870	8.6
121.06514	23.7
121.08397	1.0
122.09649	0.9
123.04490	1.1
123.08071	0.8
124.05222	1.1
125.05998	8.0
127.03873	3.1
131.04933	2.2
134.03615	2.4
135.04398	1.4
137.05937	4.2
138.06738	1.5
139.03902	1.9
139.07544	2.3
145.02850	0.9
145.04933	1.0
147.04385	1.3
148.05180	1.7
148.57950	0.6
149.05980	36.9
150.06288	0.7
151.07536	2.9
153.05501	1.6
153.09106	9.7
155.11775	0.9
158.58258	0.6
160.11356	0.9
161.06003	0.9
163.03902	1.4
163.07527	1.5
167.07047	5.1
177.05476	20.3
179.07086	1.3
180.07703	0.8
181.08591	20.6
181.88733	0.7
182.09317	1.2
191.07062	1.7
195.06509	1.3
200.13966	1.9
209.08090	100.0
210.08612	3.7
228.13509	1.3
248.12741	1.3
265.07065	1.3
275.60245	0.6
283.08054	5.6
430.18524	1.3
448.19763	1.3
462.20996	0.7
480.22018	11.2
480.27957	1.2
481.26370	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	480.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01871	1.2
57.03449	0.7
60.04509	0.7
65.03931	2.2
69.03416	2.1
69.63010	2.1
70.06580	2.4
72.08141	1.1
75.04488	3.3
75.74957	0.6
77.03928	0.9
78.04702	2.6
79.05507	1.4
81.03396	1.6
84.08138	1.7
85.02887	4.2
86.09713	4.4
89.03925	0.9
89.06019	1.1
91.05485	10.5
93.03414	9.2
93.07039	3.8
95.04990	3.5
97.02879	2.6
97.06538	1.8
99.04411	1.0
103.05463	5.1
105.04530	1.7
105.07015	1.9
106.04169	22.6
107.04948	2.7
109.02875	1.3
109.06569	1.1
109.07457	0.7
117.03405	0.9
118.04152	0.8
119.04945	2.3
120.08086	3.3
121.02870	8.6
121.06514	23.7
121.08397	1.0
122.09649	0.9
123.04490	1.1
123.08071	0.8
124.05222	1.1
125.05998	8.0
127.03873	3.1
131.04933	2.2
134.03615	2.4
135.04398	1.4
137.05937	4.2
138.06738	1.5
139.03902	1.9
139.07544	2.3
145.02850	0.9
145.04933	1.0
147.04385	1.3
148.05180	1.7
148.57950	0.6
149.05980	36.9
150.06288	0.7
151.07536	2.9
153.05501	1.6
153.09106	9.7
155.11775	0.9
158.58258	0.6
160.11356	0.9
161.06003	0.9
163.03902	1.4
163.07527	1.5
167.07047	5.1
177.05476	20.3
179.07086	1.3
180.07703	0.8
181.08591	20.6
181.88733	0.7
182.09317	1.2
191.07062	1.7
195.06509	1.3
200.13966	1.9
209.08090	100.0
210.08612	3.7
228.13509	1.3
248.12741	1.3
265.07065	1.3
275.60245	0.6
283.08054	5.6
430.18524	1.3
448.19763	1.3
462.20996	0.7
480.22018	11.2
480.27957	1.2
481.26370	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	480.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57315	0.5
53.03945	0.9
55.01862	2.3
57.03430	0.6
59.94460	0.4
65.03926	2.2
67.05502	1.1
69.03416	2.3
69.78848	1.9
70.06578	1.1
71.04972	0.7
75.04483	3.9
77.03915	0.7
78.04713	2.2
79.05482	1.5
81.03423	1.0
81.07080	0.7
83.01334	0.7
85.02907	3.0
86.09703	2.4
89.03909	1.1
89.06050	0.9
91.04942	0.8
91.05475	10.0
93.03404	12.0
93.07048	4.5
95.04968	5.2
97.02879	2.1
97.06543	2.7
99.04449	0.8
101.01488	0.5
103.05470	5.1
105.03397	0.9
105.04516	2.1
105.06988	1.4
106.04170	24.5
107.04973	2.9
108.05735	0.6
109.02911	1.4
109.06521	0.9
111.04405	0.5
117.03368	1.3
119.04927	2.6
120.08102	2.1
121.02858	5.6
121.06504	24.7
122.09653	0.7
123.04393	1.3
125.05991	8.2
127.03905	2.7
131.04919	2.3
133.06503	0.7
134.03627	4.4
135.04388	1.7
137.05997	4.6
138.06783	1.4
139.03853	1.2
139.07526	2.0
145.02847	0.9
147.04382	1.3
148.05176	1.9
148.07648	0.7
149.05975	44.9
150.84009	0.5
151.07562	2.7
153.05492	1.0
153.09103	11.6
154.06247	0.6
159.04391	0.6
161.05986	1.7
163.03850	1.8
163.07542	1.5
165.05507	1.2
166.06219	1.3
167.07033	4.2
177.05470	22.8
179.06990	0.7
180.07780	1.0
181.08588	16.2
182.09293	1.0
182.11766	0.5
191.07013	1.6
195.06557	1.0
200.13956	0.9
204.06537	1.1
205.08577	0.5
209.08076	100.0
210.08669	3.8
210.69827	0.5
228.13535	0.5
248.12869	1.0
273.59454	0.6
283.08118	3.9
298.20273	0.6
401.15665	0.7
430.18478	0.9
448.19351	0.8
480.22110	11.1
481.26462	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
53.85812	1.7
55.01870	5.4
55.05508	3.0
57.03437	7.2
59.05001	4.7
61.02936	9.5
67.05494	3.8
69.03433	25.4
69.07063	2.0
69.19922	8.9
70.06582	1.9
70.16210	1.6
71.04986	6.2
73.02908	6.3
79.05492	2.8
81.03419	13.7
81.07065	11.5
83.04996	10.1
85.02909	82.2
87.04472	26.7
91.03965	3.3
91.05501	3.9
93.07050	8.9
95.04966	2.4
95.08604	3.0
97.02898	25.4
97.06543	2.0
99.04446	6.2
101.02381	2.1
105.07033	5.6
107.04937	1.6
107.08599	13.4
109.02881	13.8
109.06519	5.4
109.10169	4.1
111.08102	3.2
115.03937	100.0
119.75773	1.5
123.08113	1.7
123.11703	11.6
125.06013	2.7
127.03021	2.9
127.03927	42.5
133.04965	44.0
133.10123	7.7
135.11674	1.7
137.05981	3.9
145.04970	47.7
145.06104	3.4
145.10100	1.7
149.05896	1.6
149.09695	1.5
151.07576	1.5
151.11198	16.1
161.09602	1.9
163.06021	11.4
163.07233	2.1
167.07144	3.2
168.04240	2.4
169.12242	14.8
177.05467	1.6
183.06535	4.3
187.09691	2.3
187.13322	3.3
197.11761	1.6
198.14731	2.0
215.09138	3.8
238.71497	2.1
241.06990	2.4
256.97009	1.5
259.08179	13.7
277.09195	41.9
278.97302	1.7
283.15347	4.2
480.20944	5.3
480.26541	3.0
480.31970	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	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05516	21.6
57.03432	4.6
57.07093	5.0
62.06092	29.0
62.94369	2.0
64.28750	2.2
65.44926	2.4
67.05496	12.9
69.07064	18.2
71.08641	2.5
79.05482	5.0
79.87523	2.0
81.07053	12.6
83.08638	12.6
93.07040	6.2
95.06934	2.1
95.08594	12.3
97.10152	5.4
98.06065	4.0
98.22593	3.3
98.98478	6.0
105.07078	2.2
107.08652	4.1
109.10142	6.5
113.68616	2.2
121.10158	5.8
123.11714	3.3
124.01629	2.2
135.11697	3.6
143.19913	1.9
149.13269	2.0
155.01082	7.0
188.07854	2.6
216.06361	4.2
238.99329	2.0
251.28665	1.9
265.25275	6.1
308.26096	3.6
308.29495	50.9
308.33051	2.5
309.88818	1.8
339.28943	100.0
413.96121	2.5
419.25391	3.6
462.29794	5.2
480.31241	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	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.67815	0.3
55.01867	0.4
55.05513	12.8
57.03439	6.6
57.07078	6.2
65.03896	0.3
65.42854	0.3
67.05507	9.5
69.07068	19.0
71.04984	0.6
71.08627	3.1
71.22623	0.5
72.79692	0.4
73.06574	0.5
79.05485	4.3
81.07053	10.4
83.05017	0.4
83.08124	0.7
83.08623	13.4
85.06536	0.6
85.10172	1.4
85.28152	0.4
91.05481	1.2
93.07040	6.3
95.08607	11.0
97.06528	1.5
97.10166	6.0
98.06034	0.4
107.08584	3.2
109.10158	4.0
111.08076	1.2
111.11707	2.1
121.10138	5.0
123.11717	1.4
125.09633	0.5
135.11673	4.0
139.11174	0.7
149.13301	1.8
153.12657	0.8
153.53032	0.4
163.14818	1.1
169.14598	0.3
177.16411	0.4
182.86659	0.4
198.05305	0.5
216.06305	0.7
241.25092	0.4
247.24155	0.6
250.50914	0.4
265.25256	1.7
308.29480	4.3
339.28925	100.0
340.29315	4.7
440.75095	0.5
480.21967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.5
68.05045	0.5
69.07063	0.5
70.06588	0.6
78.23248	0.3
80.05007	1.4
81.05775	1.4
81.07047	0.5
82.06586	0.7
83.07380	0.6
84.08135	6.3
93.07025	0.8
94.06549	0.6
95.08642	0.6
95.85593	0.3
96.08114	0.5
97.08909	1.1
108.08114	1.1
108.49790	0.3
109.06491	0.4
109.08907	0.6
110.09669	0.5
120.08089	1.0
121.06507	0.7
122.09642	2.9
123.10442	0.5
124.11244	0.5
126.26535	0.3
127.61332	0.3
134.09660	3.0
135.08083	0.4
136.11205	4.6
137.05949	0.8
137.11993	2.9
138.12776	2.4
148.07574	0.5
150.12814	2.7
151.13527	1.3
164.14326	0.5
167.07016	0.4
178.15868	1.1
179.16672	0.8
202.15941	2.0
209.48764	0.4
230.19000	0.8
258.18542	1.1
274.97403	0.4
276.19577	100.0
277.19955	3.4
318.02698	0.4
338.96762	0.5
480.31754	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	481.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34857	7.0
58.44916	7.1
61.14114	6.3
72.74678	6.0
79.05503	10.4
91.05488	20.3
93.07040	9.6
98.97610	8.8
103.05463	18.4
105.07040	31.0
106.04162	8.7
111.49698	6.8
121.06519	22.5
135.08020	45.5
137.05980	84.1
149.05991	14.2
150.46259	7.3
151.07539	6.2
161.05974	54.1
167.07007	20.5
191.06914	7.9
199.07579	19.6
203.08559	20.4
209.08179	13.7
220.08676	10.0
231.08054	23.2
248.08311	13.9
259.07669	33.8
260.08093	18.5
263.10745	7.8
276.07761	9.2
276.19574	15.2
284.40332	7.7
291.10178	100.0
292.10919	8.5
323.12784	71.8
361.08185	14.2
369.26334	8.6
389.75006	8.1
407.80429	7.8
408.82526	7.6
421.10349	17.1
440.20447	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	481.2048
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
54.60354	0.5
68.42319	0.4
69.59088	0.4
70.06589	0.5
73.38522	0.5
74.24646	0.4
79.48425	0.5
79.56263	0.4
85.02933	0.5
95.08604	0.5
98.22591	0.7
107.08582	0.7
133.10124	1.5
135.11693	0.6
146.06071	0.6
233.15125	2.0
245.06342	0.9
261.14713	0.5
289.05182	1.3
395.20349	7.0
396.21362	1.5
437.21472	21.0
438.21893	0.6
440.20450	5.1
480.80890	0.8
481.20468	100.0
482.20923	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2048
Annotation	Longicornin A
Peak:m/z	Relative Intensity
55.05507	1.3
56.89310	0.7
61.66139	0.6
63.85894	0.6
67.05507	0.8
67.28690	0.6
69.03439	1.0
69.07067	3.8
71.04980	0.8
75.15422	0.6
79.05521	0.6
79.81174	0.7
81.03418	0.9
81.07063	2.6
83.08633	0.8
85.02951	0.8
91.05484	1.5
95.08640	0.9
105.07052	2.2
107.08585	1.2
109.10152	1.2
119.01896	0.8
119.08571	5.0
121.06563	0.7
121.10171	1.6
123.11691	3.5
124.14764	0.6
127.11179	0.7
129.12807	0.9
133.10133	2.4
144.54022	0.6
145.10123	0.8
157.05292	0.6
158.19238	0.6
163.50848	0.6
173.09633	1.0
175.14833	2.9
203.05359	1.4
227.05258	1.5
233.15242	2.4
243.04945	0.8
245.06398	8.0
271.04172	1.5
287.03702	1.3
289.05298	27.2
377.19095	1.0
395.20569	2.7
419.20358	7.9
437.21481	14.0
463.19418	70.1
464.19916	2.5
465.93173	0.7
481.20480	100.0
482.20816	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.73398	0.4
61.30749	0.4
67.05491	1.5
69.03431	0.5
69.07054	0.9
69.29656	2.0
79.05489	1.0
81.03411	1.0
81.07052	2.0
83.04988	0.7
83.08627	0.7
85.02885	0.7
91.05488	0.9
93.07062	0.9
95.04970	0.5
95.08607	0.7
97.02891	0.6
97.06514	0.4
99.04450	0.4
105.01835	0.6
105.07036	1.4
107.08556	0.7
109.10172	0.9
119.08528	0.6
123.11723	1.3
127.03931	0.6
131.08595	0.4
137.05946	0.5
145.10091	0.7
151.11200	0.6
153.01820	1.9
173.09721	0.5
185.04359	0.5
198.04608	0.6
205.08612	0.8
227.05333	0.7
233.15143	3.5
258.99936	0.4
261.14651	1.4
287.03564	0.5
289.05551	0.5
377.19330	0.9
395.20419	12.2
419.20486	0.5
437.21460	27.3
438.21417	0.9
442.95377	0.4
449.10062	0.5
456.01608	0.6
478.52692	0.5
481.20462	100.0
482.14972	0.8
482.21283	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	481.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01882	2.3
65.03930	1.8
67.05501	1.6
69.03420	2.0
71.45441	1.6
77.03954	2.4
78.04724	2.3
79.05502	11.1
85.02910	1.7
89.03905	2.4
91.05483	18.9
93.03410	3.7
93.07049	5.8
95.04963	6.9
96.73746	1.6
97.06556	2.6
99.33417	1.6
103.05474	17.3
105.04518	1.7
105.07034	29.9
106.04180	12.7
107.04990	7.1
107.08611	1.5
109.78123	1.3
117.03398	2.6
118.99255	1.4
119.04967	2.9
120.01923	1.3
120.05737	4.3
121.06508	31.4
123.04439	4.6
125.05991	3.0
131.04936	13.5
132.05704	2.0
133.06555	2.3
134.03650	3.7
135.04501	2.0
135.08054	100.0
136.08389	2.5
137.06003	4.5
138.12770	1.8
147.04379	2.3
147.08031	1.5
148.05191	4.6
149.05991	35.2
149.07161	1.9
150.06660	1.5
150.09140	1.8
151.03911	1.7
151.07567	2.8
153.09114	5.6
154.06288	5.5
159.04456	4.2
163.03944	2.7
163.07539	5.2
165.09137	12.8
166.06248	3.5
167.07048	80.1
177.05478	41.8
179.07080	3.4
181.08592	15.6
182.09389	11.3
191.07027	12.9
192.07803	7.2
193.08601	2.9
209.08092	56.4
210.08818	14.4
210.10493	2.0
211.11359	2.5
224.08243	2.2
225.12776	2.1
234.14827	2.0
238.09933	5.9
239.10695	5.4
241.08504	1.8
242.84647	1.5
243.13831	1.4
253.12308	4.8
255.10272	1.5
256.10928	3.4
271.13306	21.8
273.14917	11.6
291.21271	1.6
297.14941	2.9
303.15994	3.7
309.14725	3.3
338.96713	3.6
373.16702	1.9
440.20209	8.1
451.21219	2.0
463.21161	3.6
481.22577	8.9
481.28201	9.8
482.20300	1.6
494.00223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	1.0
57.24723	0.6
58.50235	0.6
69.07083	0.9
71.08618	0.5
71.21974	0.5
72.76961	0.5
82.98180	0.5
89.06039	3.5
92.49225	0.5
120.49856	0.6
124.93775	59.0
130.14900	0.5
133.08615	2.1
133.21974	0.5
142.94815	32.7
156.96381	1.9
167.23930	0.5
177.11215	1.3
191.16245	0.5
198.97421	3.4
250.10228	0.7
283.17505	2.6
323.19684	0.7
328.38409	0.5
338.07999	0.6
339.29105	0.8
350.14011	0.5
373.87140	0.6
440.20526	1.5
463.21869	8.4
481.23035	100.0
482.23502	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	482.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46506	12.2
71.56487	3.1
98.22714	5.0
101.05995	4.2
103.34157	3.5
107.33369	2.8
149.02348	49.1
149.03435	5.7
150.10745	3.5
193.04967	52.4
237.07574	100.0
254.15981	3.6
482.15802	90.7
482.30905	29.1
483.15717	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	482.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	8.3
59.05001	2.2
61.02919	1.4
62.72968	0.9
65.03929	3.5
68.99805	1.2
69.03064	1.8
69.03426	27.9
70.06599	5.3
70.55585	0.9
73.76588	1.0
77.01302	1.0
79.01856	1.1
79.05473	1.0
80.38126	1.1
81.03404	1.3
83.04975	4.4
84.04525	1.1
84.08131	1.3
85.02905	20.0
86.06075	0.9
86.09730	1.2
87.04461	16.8
89.03899	1.8
91.05457	1.5
97.02880	20.0
99.04443	1.3
107.05003	1.2
111.04440	45.9
115.03922	23.5
117.03363	6.9
121.06501	1.9
123.04476	1.2
125.05981	4.0
127.03918	1.6
131.04900	1.2
133.04959	22.2
133.06502	1.5
135.04417	9.1
137.05869	1.9
139.03891	22.6
139.07538	1.0
141.05505	1.8
145.02852	12.0
145.04945	3.4
147.04419	1.5
149.05972	5.0
150.07637	2.5
153.05470	18.3
156.04123	1.1
163.03893	20.4
167.07043	3.1
168.04163	2.0
171.06519	100.0
172.06784	1.4
177.05466	28.4
178.05913	1.1
180.04150	5.5
181.04837	1.6
181.08571	2.1
183.06516	13.0
189.05501	1.4
195.06528	34.9
205.04988	1.5
205.08517	1.1
207.06487	9.8
209.08112	1.1
213.07561	37.8
220.91678	1.0
221.08087	2.9
237.07545	13.3
248.98445	1.1
249.07629	10.9
261.07590	2.1
267.08655	25.0
279.08453	2.4
285.09653	6.2
297.09711	7.4
303.10812	1.9
433.20889	1.5
462.37677	1.2
482.19962	3.0
482.24045	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	482.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.8
59.04992	1.4
61.02924	2.4
61.87404	0.8
65.03936	5.6
67.05495	1.0
68.99801	1.0
69.03427	25.4
71.10268	1.4
73.02915	3.5
73.47441	1.1
81.03419	4.9
83.04980	3.0
85.02904	17.8
85.31884	0.9
87.04462	14.9
93.03407	4.1
95.04971	2.0
97.02891	21.4
103.03903	1.2
107.04958	11.0
109.02866	1.2
110.07168	1.2
111.04441	30.4
115.03941	21.7
121.02940	1.5
121.03993	3.2
121.06476	1.4
122.03617	1.3
123.04427	10.2
125.05985	2.2
127.03910	3.2
133.04955	28.3
133.06485	2.2
135.04419	5.4
137.05997	2.4
139.03899	76.9
141.05473	12.6
144.02650	0.9
145.02831	1.3
145.03951	1.1
145.04964	4.7
147.04417	1.5
149.02356	1.7
150.07552	1.8
151.07474	1.4
153.05461	2.0
163.03906	14.4
163.06021	2.0
163.22993	1.3
171.06522	100.0
172.06839	1.1
177.05479	6.8
180.04172	4.8
181.04930	8.5
181.08604	1.5
183.06548	7.2
189.05470	2.5
190.94691	1.3
195.06519	27.9
205.04974	1.7
207.06488	4.8
213.07561	23.1
221.08101	1.4
222.05376	1.3
237.07558	11.0
249.07571	12.3
259.08243	1.0
267.08624	23.2
285.09692	3.2
297.09695	4.1
349.25998	1.0
386.13760	1.0
393.55161	1.1
482.19247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49087	0.5
55.01868	1.7
67.05491	1.6
69.03426	3.5
70.06592	3.3
71.04996	8.4
72.08138	0.7
79.05491	0.9
80.05019	1.4
81.07064	0.9
83.01344	2.5
84.04523	0.9
84.08143	2.0
85.02904	0.6
86.09701	2.7
91.05487	0.7
93.07056	0.6
94.06579	0.9
95.04974	3.0
95.08604	1.5
96.08134	0.8
99.04437	0.7
105.07027	0.5
106.06503	0.5
108.08136	0.8
109.06485	0.5
110.07159	1.1
110.09691	1.9
111.08080	7.8
115.03939	1.8
120.08116	2.1
122.09682	2.2
123.08062	2.1
125.05989	2.9
125.09644	0.7
129.10260	0.5
131.08542	0.5
133.08846	0.5
134.09659	8.6
136.07561	1.3
137.05994	1.1
138.12779	0.7
141.09097	0.6
143.03409	1.9
145.04787	0.5
146.09647	0.8
148.11191	1.2
150.09149	1.6
150.12740	0.5
152.10670	2.5
155.07062	2.8
160.11269	1.1
162.09175	2.3
162.12798	5.7
163.13560	4.5
164.10710	1.1
166.12352	0.6
167.07051	0.6
168.10234	1.3
172.20996	0.4
179.07063	0.6
180.13788	3.3
182.11792	2.8
187.07431	0.6
190.12325	1.8
194.11751	1.1
197.08083	1.4
206.15318	0.8
208.13362	1.9
218.11723	0.7
222.14877	0.7
246.14684	0.6
247.09718	1.0
250.14577	0.6
265.10773	1.5
266.17526	1.1
278.17426	0.8
292.19131	1.8
293.19272	0.5
294.20645	1.7
310.20004	2.6
336.15283	0.5
338.19638	2.2
362.15720	1.0
384.20364	0.8
392.06607	0.6
432.20203	1.9
450.21268	12.6
451.21423	0.7
454.24719	0.8
464.22809	13.2
482.23874	100.0
483.24057	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	482.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54594	0.4
63.78544	0.4
67.05495	0.7
69.03440	1.2
70.06597	1.1
71.08466	0.8
71.52843	0.5
74.86633	0.5
81.07052	1.2
82.06559	0.5
84.08147	10.3
85.02906	0.8
91.05466	1.0
92.15589	0.4
93.07050	0.8
95.04977	1.2
95.08604	0.8
96.08124	0.6
98.06000	0.5
103.05471	43.3
105.04491	0.5
105.07042	0.7
108.08121	1.4
109.06510	0.7
110.09671	1.0
117.07008	1.4
118.07344	0.6
119.08604	1.0
121.06483	0.8
122.09665	1.6
131.04933	100.0
132.05260	1.0
135.07887	0.5
136.11230	2.0
137.05977	3.1
137.11977	0.8
147.11687	0.7
147.37671	0.5
151.07466	0.5
155.03470	0.6
163.07545	32.8
164.14333	1.0
175.11197	2.0
188.22963	0.5
192.13951	0.6
192.37149	0.4
244.16957	1.5
260.03348	0.5
276.16431	0.4
276.19702	2.6
303.12665	0.5
303.16013	1.7
308.99475	0.5
318.17001	1.6
319.17636	0.6
320.18570	38.6
321.18948	0.7
354.09604	0.7
441.20706	0.7
464.18790	0.5
482.25134	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.05512	6.8
55.93200	2.3
57.03187	2.4
57.03423	15.0
59.05015	5.6
67.05505	7.3
69.03428	66.6
69.07069	6.8
70.06586	13.6
71.04980	3.7
71.82156	2.6
73.02912	4.5
75.21285	2.4
77.03937	2.3
79.05505	16.3
81.03432	4.7
81.07065	17.4
81.76133	2.2
83.04993	6.5
85.02898	53.7
86.09695	2.6
87.04469	45.3
88.76344	2.6
91.03954	2.7
91.05479	23.3
93.07046	85.3
95.04984	11.3
95.08596	24.5
97.02895	55.2
97.06525	7.3
98.23488	5.8
105.07034	11.5
107.08597	87.9
109.06493	6.1
109.10155	9.8
111.08046	3.6
115.03934	95.2
119.06144	2.5
119.08572	8.1
121.10155	5.3
127.03909	9.9
133.04971	100.0
133.10135	4.9
135.11697	71.7
137.13287	2.5
143.08580	3.0
145.04967	10.5
145.10104	4.4
151.11099	2.7
153.12756	12.8
159.11688	4.7
164.40134	2.8
169.04890	3.1
175.11205	3.8
177.12752	7.6
193.79089	2.4
210.08458	3.0
259.08109	8.1
267.15942	7.1
269.48047	2.4
277.09259	3.8
279.16031	3.3
285.16931	3.3
295.10281	10.2
464.22998	2.9
482.23929	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
57.03442	10.7
66.96014	1.9
67.05494	3.3
69.03426	32.6
69.07067	8.4
74.78792	1.9
77.03954	1.9
79.05489	24.3
81.03418	3.5
81.07061	4.1
83.05006	2.2
85.02907	25.4
87.04463	25.6
89.03895	2.4
91.05486	6.3
93.07040	35.3
95.04991	3.5
95.08614	3.9
97.02891	29.9
97.06515	2.4
105.07012	4.5
107.08596	27.9
109.10208	3.2
114.29516	2.0
115.03925	42.1
117.03387	6.5
127.03943	4.8
133.04967	42.6
133.10168	2.7
135.11694	100.0
145.02861	13.8
145.05013	5.8
149.05920	3.9
153.12769	7.3
163.06091	3.8
164.34450	2.2
177.05466	19.8
208.95110	2.1
209.00525	2.3
222.14886	2.0
259.08096	5.6
267.16006	14.1
277.09140	3.3
279.15729	2.9
285.16992	3.7
290.80310	1.9
295.10202	10.6
297.16919	4.8
308.36865	1.9
310.13293	2.1
315.18039	2.6
320.18564	6.2
333.19073	4.2
338.97058	2.5
351.38147	2.0
366.18988	3.2
422.03284	2.2
482.23587	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.05512	6.8
55.93200	2.3
57.03187	2.4
57.03423	15.0
59.05015	5.6
67.05505	7.3
69.03428	66.6
69.07069	6.8
70.06586	13.6
71.04980	3.7
71.82156	2.6
73.02912	4.5
75.21285	2.4
77.03937	2.3
79.05505	16.3
81.03432	4.7
81.07065	17.4
81.76133	2.2
83.04993	6.5
85.02898	53.7
86.09695	2.6
87.04469	45.3
88.76344	2.6
91.03954	2.7
91.05479	23.3
93.07046	85.3
95.04984	11.3
95.08596	24.5
97.02895	55.2
97.06525	7.3
98.23488	5.8
105.07034	11.5
107.08597	87.9
109.06493	6.1
109.10155	9.8
111.08046	3.6
115.03934	95.2
119.06144	2.5
119.08572	8.1
121.10155	5.3
127.03909	9.9
133.04971	100.0
133.10135	4.9
135.11697	71.7
137.13287	2.5
143.08580	3.0
145.04967	10.5
145.10104	4.4
151.11099	2.7
153.12756	12.8
159.11688	4.7
164.40134	2.8
169.04890	3.1
175.11205	3.8
177.12752	7.6
193.79089	2.4
210.08458	3.0
259.08109	8.1
267.15942	7.1
269.48047	2.4
277.09259	3.8
279.16031	3.3
285.16931	3.3
295.10281	10.2
464.22998	2.9
482.23929	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03939	2.8
55.01854	3.4
55.05507	1.6
57.03442	3.6
61.02921	4.7
67.05495	4.0
68.99807	4.0
69.03430	23.6
69.07063	3.3
71.04990	6.5
71.05669	2.0
73.02923	3.0
76.39651	1.4
79.05491	1.3
80.05013	1.6
81.03413	18.2
81.07035	6.8
83.04956	1.8
83.08606	2.3
85.02905	57.9
85.06540	3.5
86.06048	2.1
87.04472	22.6
91.03955	4.4
91.05484	3.9
93.03437	1.9
93.07050	10.5
95.04964	3.4
95.08621	7.6
97.02890	19.1
97.06536	5.1
99.04463	6.2
105.07041	1.5
107.04961	1.8
107.08601	14.4
109.02882	16.9
109.10149	9.6
111.04428	3.3
111.08070	1.8
115.03931	100.0
119.08572	2.6
121.06497	2.0
122.09717	4.0
124.07576	1.8
127.03924	34.5
128.98561	1.5
131.30562	1.3
133.03951	2.3
133.04968	45.8
135.11693	26.5
137.05995	1.6
139.03911	15.0
145.04961	40.1
149.09679	1.7
150.09163	3.7
151.07535	1.7
153.09145	3.0
153.12746	22.7
157.04980	6.0
163.05997	8.0
168.10229	2.9
171.10155	2.8
171.13867	1.6
175.06042	1.6
175.11177	1.7
178.12311	2.8
182.11804	1.6
193.12227	4.9
200.12737	2.0
209.08139	2.6
210.08458	1.7
211.08690	1.5
219.01939	1.6
219.34860	1.4
247.04453	1.9
259.08133	11.9
266.17517	5.0
267.15845	2.8
274.18106	3.8
277.09180	65.9
285.16956	5.7
302.17456	4.7
320.18530	6.6
333.22183	1.4
373.07645	4.3
376.17294	1.7
387.05902	1.5
450.21021	3.4
464.22424	2.7
482.23926	27.9
483.14664	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
57.03436	8.0
59.04997	3.2
67.05506	3.0
67.62112	0.9
69.03427	31.2
69.07052	7.3
69.41235	0.9
69.41566	3.8
71.05003	1.7
75.04454	1.1
79.05482	2.4
81.03422	1.0
81.07057	3.7
83.08629	3.0
85.02898	19.7
87.04467	22.4
91.05479	2.3
93.07044	16.4
95.08611	11.2
97.02893	26.1
97.06528	28.1
99.04456	1.0
105.06995	1.2
107.08589	25.5
109.10146	12.2
111.04405	0.9
111.11712	1.4
115.03931	35.8
127.03924	3.3
132.86600	0.8
133.03944	1.4
133.04964	36.0
135.11685	40.4
145.04944	3.6
153.12737	100.0
154.13046	2.5
169.04929	1.4
171.13794	97.1
172.13994	1.7
218.91829	1.0
223.06021	1.0
228.54414	0.9
259.08142	3.2
277.09171	1.7
295.10251	2.9
333.19107	3.7
441.20737	4.6
482.22354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05527	1.2
55.17556	1.0
57.03435	11.8
59.04991	2.2
61.02919	1.2
67.05517	2.2
69.03430	35.4
69.07072	3.0
70.06583	2.9
79.05500	2.4
81.03412	2.6
81.07047	4.6
83.05003	1.2
83.08634	1.1
85.02905	24.6
87.04471	24.7
91.05486	5.0
93.07044	37.4
95.04965	1.5
95.08602	20.1
97.02894	26.5
97.06540	1.1
98.22742	3.7
99.04444	2.0
105.07016	1.6
107.04929	1.1
107.08593	66.0
108.08930	2.0
109.02885	1.1
109.06506	1.4
109.10184	2.8
115.03931	33.4
125.13334	1.2
127.03931	3.3
133.04971	34.3
133.10136	1.5
134.05464	1.0
135.11691	93.5
136.12032	1.3
137.25227	1.2
145.04970	4.2
153.12740	84.2
154.13124	1.9
163.06062	2.1
171.13800	100.0
172.14128	1.7
231.13681	1.1
241.07106	1.3
249.14923	1.2
259.08197	3.3
267.15991	1.7
273.32343	1.0
277.09378	1.9
285.16940	1.5
295.10297	4.9
303.17987	2.2
333.19101	14.3
334.19370	1.1
397.22009	1.4
441.20728	8.3
447.73032	1.1
482.19730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79444	1.2
53.03947	4.8
55.01862	5.3
55.05516	7.9
57.03425	3.7
57.07073	14.1
59.04998	2.4
60.61231	1.3
61.02928	4.1
67.17979	1.2
68.99787	1.2
69.03429	20.2
69.07069	51.8
69.26885	6.7
71.04990	6.7
71.08630	8.5
73.02914	4.7
73.06560	11.1
79.05476	1.9
81.03421	17.2
83.08633	3.1
85.02904	50.6
85.10178	4.6
87.00825	24.2
89.06031	30.2
91.05428	1.6
97.02893	31.6
98.22631	2.2
99.04467	8.9
105.01868	38.0
109.02875	16.6
109.10162	1.5
111.04464	1.5
111.11720	82.0
115.03976	1.8
117.01842	2.8
127.03917	40.5
129.01825	1.8
129.12756	100.0
145.04965	21.1
157.15941	1.4
159.02887	9.2
199.16928	19.4
213.03842	2.9
216.17465	2.3
217.18008	21.9
231.04987	12.0
249.06062	5.8
359.16846	2.8
395.13129	6.1
482.17712	9.5
482.25143	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60823	0.8
53.03943	1.1
55.01876	1.2
55.05513	8.3
55.19076	0.7
57.03430	5.1
59.16885	0.7
61.02921	3.2
61.75980	0.7
65.03931	0.7
67.05505	10.2
69.03426	3.2
69.07059	3.9
69.44945	2.6
69.45358	1.6
71.01382	0.7
71.04988	2.9
73.02922	1.2
79.05486	8.9
81.03417	41.6
81.07055	14.0
82.03768	1.0
83.04982	7.7
83.08624	14.6
85.02911	12.8
85.06567	0.7
91.03955	1.3
91.05479	14.4
93.07036	7.5
95.04975	15.4
95.08611	3.4
97.02892	3.7
97.06521	2.0
97.10175	1.8
98.23519	1.1
105.07030	9.5
107.04945	3.0
107.08569	2.9
109.06510	2.1
109.10184	1.1
111.04433	2.1
111.08087	9.3
113.05998	1.7
115.03907	1.9
115.05424	1.1
119.08584	9.3
121.10188	3.6
123.08112	0.8
123.11696	1.0
125.06042	0.7
127.03903	1.3
129.07024	5.9
131.08553	5.9
133.04961	1.2
133.06480	2.1
133.10130	5.7
135.11693	1.6
137.09613	1.4
142.07758	1.1
145.08180	0.8
145.10083	1.0
147.08060	2.0
147.11694	10.1
149.09615	3.2
150.03696	0.7
153.12747	6.7
157.10135	9.9
165.12752	1.8
173.43996	0.7
175.11205	10.9
193.12242	51.0
202.58150	1.0
211.13295	44.1
229.14362	2.0
240.56297	0.7
267.15915	19.3
285.16968	100.0
286.17303	3.0
321.96353	0.9
429.21371	1.1
501.54535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66199	1.4
53.03936	4.5
55.01877	2.5
55.05506	2.5
57.03436	6.7
59.04997	1.5
61.02929	6.5
62.13689	1.4
63.22589	1.4
67.05479	4.3
69.03430	29.8
69.07071	3.6
69.13932	8.0
70.06608	1.6
70.51551	1.4
71.04988	6.0
71.08620	5.8
73.02914	6.1
79.05486	2.6
81.03413	18.3
81.07067	4.6
83.04998	2.5
83.08614	1.7
84.08146	1.6
85.02908	94.9
86.03250	2.3
87.00830	2.8
87.04471	23.2
91.03950	4.0
95.04950	2.5
95.08605	4.6
97.02899	28.1
97.06509	2.8
97.10159	1.8
99.04450	8.8
99.08083	4.7
103.03944	1.4
105.07024	16.3
106.07371	6.6
107.08593	3.0
109.02875	15.4
109.06478	1.7
109.10164	6.3
111.04391	1.7
111.11746	2.2
115.03933	100.0
117.09189	1.7
119.08560	4.7
125.63498	1.4
127.03914	50.8
127.11163	3.6
128.02257	1.5
133.04970	32.6
135.11630	1.8
137.06010	8.8
138.06288	3.6
145.04965	60.8
145.10092	1.4
145.12209	9.4
153.12744	3.0
159.02802	2.0
163.06038	11.3
163.07237	2.0
171.13800	6.5
173.09583	2.6
181.15945	1.5
189.14821	6.0
199.16945	2.5
211.00560	1.6
215.10712	7.2
216.10890	8.4
216.17438	1.6
217.11250	4.7
228.90698	1.7
231.04977	2.0
244.16997	1.6
259.07965	15.6
277.09164	27.4
302.26727	1.6
356.83319	1.6
438.28885	1.9
482.20377	2.4
482.25839	1.7
483.22241	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	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37281	0.4
55.05497	0.5
56.05026	1.4
57.07076	2.9
58.06583	0.9
59.49591	0.4
60.08164	15.6
67.05495	0.9
68.86176	0.4
69.07068	0.9
69.96635	1.3
70.04436	0.4
71.07371	6.1
71.08626	2.3
81.07050	1.3
85.10178	1.1
86.09704	48.5
95.08594	1.1
98.22736	0.6
98.98477	2.8
104.10741	100.0
105.11072	0.7
109.10159	0.4
125.00000	28.9
146.98235	0.6
163.01544	1.0
184.07336	95.9
185.07687	0.8
258.11032	1.1
299.25827	2.0
337.27213	0.6
396.04318	0.4
405.23914	0.5
464.31381	8.3
482.32407	34.7
483.32275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15722	0.3
55.05512	2.4
56.05038	0.6
57.03429	1.5
57.07081	2.6
58.06597	1.0
60.08163	12.1
67.05503	0.9
69.07063	3.1
70.06586	0.3
71.07372	4.5
71.08642	1.9
75.04476	0.9
79.05489	0.6
80.15546	0.3
81.07037	1.2
83.08624	2.7
85.10184	0.8
85.95499	0.3
86.09706	24.9
89.06030	0.5
93.07038	0.8
95.08591	0.4
95.22507	0.3
97.06521	0.5
97.10165	1.4
98.23544	0.5
98.98470	3.8
104.10743	100.0
105.11070	0.5
107.08556	0.4
111.11718	0.7
119.26248	0.3
121.10182	0.5
125.00002	15.1
139.64317	0.3
155.01053	0.8
184.07349	15.9
205.56236	0.4
212.72360	0.3
235.07951	0.3
273.38080	0.3
283.17352	0.4
311.25793	10.1
330.58899	0.3
375.96741	0.4
411.60638	0.3
443.52856	0.3
447.24985	0.4
482.36066	29.7
483.36194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.7
57.07081	66.8
63.85268	0.9
69.07063	8.3
69.50727	1.1
69.51056	4.3
71.08637	61.4
73.06544	4.2
83.08614	3.7
85.10186	36.0
87.04472	3.2
89.06036	100.0
95.08555	1.2
97.10192	3.2
99.11738	5.0
101.18332	0.9
107.07076	2.5
111.11719	3.2
113.13290	5.9
117.09122	1.5
121.10143	1.2
125.13227	1.8
127.11123	1.1
127.14843	3.0
133.08611	62.5
135.10112	1.2
161.11833	1.0
177.11237	27.6
177.12793	2.0
183.21060	1.2
195.12317	4.5
200.71603	1.1
221.13879	3.5
239.14937	3.9
271.26392	5.4
283.17517	42.1
315.28998	3.0
377.32336	1.9
421.35284	1.7
438.41940	1.3
451.54849	1.1
465.37936	45.4
466.38089	2.8
494.13739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94452	0.4
60.06454	0.4
60.58043	0.4
65.08118	0.3
69.03431	0.4
69.54385	1.6
73.97240	0.4
74.23542	0.4
75.33454	0.4
85.02932	0.4
95.08600	0.5
109.02822	0.6
111.08084	1.2
151.17360	0.4
153.56407	0.4
155.03162	0.9
159.51280	0.4
167.84399	0.4
169.04733	0.8
170.81734	0.4
180.40709	0.4
185.04181	0.6
197.04247	0.4
206.05513	4.4
207.06258	2.2
299.07455	6.9
369.11505	2.1
387.05933	0.4
400.06485	0.4
466.24182	1.7
483.14749	100.0
484.15173	4.7
484.25510	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	483.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.8
60.06152	0.4
61.02903	0.4
67.05500	0.5
69.03438	1.9
69.07076	0.5
70.06586	0.7
71.05009	0.4
79.05494	0.4
80.05019	1.7
81.03406	0.5
81.07055	1.2
82.03780	0.4
83.01368	0.7
83.04992	0.5
84.96056	0.6
85.02905	1.3
93.07039	0.7
95.04958	0.6
97.02903	0.6
98.97606	2.0
107.08594	0.8
109.02870	1.0
109.10130	0.5
110.97508	0.4
111.08124	1.1
113.06026	0.5
115.03938	0.9
115.20419	0.4
116.98582	0.9
117.07019	0.4
123.08066	0.7
125.09634	1.2
127.03920	1.1
133.05025	0.5
138.09158	0.6
139.03926	0.7
153.12794	1.2
155.03185	1.2
157.05038	0.5
158.99667	0.5
163.05980	0.4
169.04797	1.1
171.13774	0.4
184.07365	0.5
184.09718	0.8
185.04262	0.6
189.05428	0.4
194.81316	0.4
197.04269	0.6
202.10713	3.0
206.05515	4.2
207.06252	1.8
219.01982	0.9
237.02831	1.1
267.19485	0.6
281.06354	0.4
299.07373	7.5
303.13406	0.5
321.09543	0.6
369.04852	1.4
369.11499	3.0
387.05981	2.1
451.21588	1.1
483.14746	100.0
484.15118	4.6
484.25308	1.4
490.90277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14431	1.3
69.14839	2.5
70.43926	0.7
79.05484	1.6
91.05472	2.4
95.04993	1.2
96.02199	0.7
103.05471	44.6
104.05840	0.7
105.07035	7.4
115.05468	2.1
119.04932	4.0
128.11104	0.6
131.04932	100.0
132.05296	1.8
133.06499	8.6
137.05937	1.0
143.06041	1.7
147.04404	7.6
161.05983	21.5
162.06473	0.7
163.07552	29.3
168.30219	0.7
179.07053	5.4
185.05769	8.9
199.07478	0.8
201.05228	0.9
210.14888	0.7
231.08205	0.8
259.07568	0.8
261.07318	1.6
291.10150	3.9
323.12912	1.3
423.14172	5.1
483.16327	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	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32666	0.7
55.01865	2.2
55.05506	1.7
57.03429	4.1
61.02913	1.7
67.05503	3.0
69.03425	1.8
69.06718	1.3
69.07075	22.3
69.47972	2.1
69.48356	2.1
79.05497	12.0
81.07063	2.4
83.04987	1.0
83.95509	1.0
85.06543	2.0
87.08111	1.4
89.03928	1.8
95.04964	1.5
97.06536	75.8
98.06852	0.9
111.08064	1.6
117.03366	3.6
119.08598	1.1
119.82904	1.0
128.06181	1.0
129.09105	2.7
133.02922	2.1
135.04405	4.8
145.02878	6.8
147.04408	1.5
159.04417	8.6
159.08089	1.0
161.02351	22.0
163.03912	55.2
173.02353	55.9
185.06052	4.7
187.07571	1.6
191.03389	7.8
195.08110	0.9
210.27286	0.9
213.09145	1.4
215.07040	88.4
216.07338	2.2
233.08160	3.1
241.08632	14.6
259.07104	2.0
259.09671	26.4
273.11255	13.7
291.12271	100.0
292.12582	2.8
325.30353	1.0
329.43472	1.0
403.99472	1.0
420.52374	0.9
439.59274	1.1
483.20508	2.0
484.26270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01867	5.1
55.05518	1.4
56.14886	0.8
57.03441	7.5
59.90674	0.8
61.02927	9.1
67.05499	1.7
69.03064	1.9
69.03431	30.2
69.07078	6.7
69.36460	3.7
70.06579	1.8
71.04984	3.7
73.02914	7.0
79.05492	4.0
81.03418	15.6
81.07055	1.4
83.01340	1.7
83.04965	1.2
84.96275	0.9
85.02905	83.8
87.04469	27.4
90.97540	0.9
91.03968	4.9
91.05472	1.5
97.02893	45.1
97.06522	9.6
99.04478	6.1
100.11282	1.4
101.02355	1.7
105.03393	1.0
109.02871	12.4
111.08091	2.1
112.36045	0.8
114.87881	0.9
115.03931	100.0
120.08089	1.4
127.03918	42.1
133.02855	25.7
133.04964	23.3
133.10159	0.8
135.04436	1.9
145.04959	42.9
146.06075	6.3
147.04393	2.6
147.06337	4.1
149.09587	1.1
151.03909	14.3
157.04994	1.7
159.04385	1.4
161.02231	1.7
163.03900	7.8
163.06003	5.0
173.02354	27.2
177.05446	2.1
185.06001	1.9
189.09102	45.8
190.09444	1.3
191.03375	3.0
191.07089	2.6
199.26843	1.0
205.08600	1.2
206.08083	1.9
207.10178	3.7
213.09070	1.5
215.07027	26.2
241.08751	7.3
249.09416	1.0
255.10152	1.1
259.10046	14.6
273.11218	36.3
274.11719	1.2
277.09158	4.6
291.12338	1.7
303.12482	1.2
315.12299	1.3
333.13361	2.3
386.74802	1.1
465.17456	1.1
483.16080	8.7
483.23367	3.1
484.14624	1.3
484.25177	2.1
495.83920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79509	0.8
55.01875	1.7
55.05517	2.4
57.03436	4.1
61.02924	1.2
67.05508	2.7
69.03426	2.8
69.07069	14.0
69.22661	5.0
71.04996	3.3
79.05499	15.9
81.03424	1.0
81.07062	4.0
83.04971	2.0
85.02919	1.4
85.06555	0.8
89.03911	2.2
91.05477	1.4
93.07049	3.3
95.04961	2.3
95.08585	2.1
97.06536	39.4
105.07051	3.2
107.04928	1.6
109.02846	1.0
109.10168	3.7
111.08105	6.0
112.00478	0.8
112.08877	2.7
117.03395	2.6
119.08602	0.8
127.03921	1.2
127.11243	1.4
129.07045	1.0
129.09106	2.2
131.04880	1.2
132.39426	0.9
133.02827	4.6
133.10129	8.6
135.04436	5.7
145.02837	4.3
145.04951	0.9
147.04359	1.2
149.09669	1.9
157.06451	1.0
159.04439	3.5
161.02335	8.1
161.09604	1.2
163.02634	1.8
163.03923	28.7
167.08534	1.5
169.06479	1.0
173.02357	68.0
174.02713	1.4
175.03941	1.0
177.05453	5.3
179.03426	1.2
185.05960	4.6
187.03896	2.2
191.03409	9.4
195.08078	2.9
197.05992	1.5
199.03830	2.0
199.07411	1.2
213.09126	3.2
215.07034	62.8
217.15918	2.5
223.07651	2.0
227.72809	1.1
233.08043	4.6
235.17018	1.4
241.08609	35.9
242.08932	1.1
259.09674	62.6
260.10077	1.4
273.11224	100.0
274.11572	1.9
291.12250	8.1
332.67282	1.0
433.14731	1.0
465.20917	12.9
483.21811	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	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37803	0.2
55.05507	0.3
57.03440	0.3
63.47506	0.2
67.05495	0.5
69.03413	0.7
69.07051	0.4
71.04998	0.5
76.26264	0.2
79.05485	0.5
81.03419	0.6
81.07047	0.9
83.04988	0.3
83.08635	0.2
84.83988	0.2
85.02892	1.1
85.06515	0.2
87.04462	0.3
91.05473	0.7
93.07044	0.7
95.04967	0.3
95.08595	1.2
97.02894	0.6
98.23511	0.6
99.04408	0.2
101.00861	0.2
105.03349	0.2
105.07033	0.6
107.08590	1.0
109.02895	0.4
109.10162	0.5
109.56214	0.2
113.06025	0.4
115.03945	0.7
119.01991	0.3
119.08572	0.8
121.10138	0.9
123.08054	0.3
127.00058	0.4
127.03908	1.1
131.08521	0.3
133.05046	0.2
133.06502	0.2
133.10176	0.3
135.08032	0.3
135.11682	0.6
138.60432	0.2
141.05444	0.2
143.01923	0.5
145.04990	0.5
145.10159	0.3
147.04480	0.5
147.11728	0.4
149.09637	0.7
159.11671	0.2
161.02962	0.6
161.13254	0.2
163.03918	0.4
163.11234	0.2
167.07074	0.2
171.11745	0.2
177.16441	0.2
185.04175	0.3
189.12717	1.0
191.14384	0.3
203.03976	0.3
207.13832	0.9
217.15915	0.2
221.05060	0.4
227.05251	0.5
235.16708	1.6
251.14980	0.6
253.16499	0.2
259.15488	0.3
269.15872	0.2
271.04205	1.2
286.17523	0.3
289.05246	0.3
295.17520	0.4
351.18845	0.2
379.20193	0.8
386.12808	0.2
397.21768	4.0
421.21884	0.7
439.22943	11.4
440.22815	0.3
465.20825	0.6
483.22003	100.0
484.22244	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	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
53.85730	0.6
55.05515	22.0
57.03440	8.7
57.06820	0.8
57.07077	11.5
67.05509	3.6
67.56220	0.6
69.07070	27.2
71.08630	6.4
73.06560	0.6
75.44006	0.6
77.10923	0.6
79.05491	2.6
81.07062	4.1
83.08623	19.6
85.10175	2.2
86.09696	0.8
92.05945	0.6
93.07035	3.2
95.08609	3.7
96.66195	0.5
97.06521	3.1
97.10168	14.9
98.98469	9.4
99.11710	0.5
104.10746	3.0
107.08605	2.2
109.10204	1.2
111.08116	0.8
111.11715	4.1
121.10165	3.0
123.11775	0.6
124.65889	0.6
125.00000	0.7
125.09626	0.9
125.13220	0.8
135.11678	2.2
149.13289	0.8
155.01054	4.3
173.02101	1.0
184.07381	0.7
237.22076	0.9
237.95212	0.6
311.25797	100.0
312.26227	4.1
447.25104	2.6
483.35928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88276	0.5
55.05493	1.0
66.89754	0.6
67.05550	0.7
69.07066	0.8
74.93231	0.5
88.99872	0.5
91.05502	0.5
94.78793	0.6
107.08634	0.7
168.24873	0.5
311.25827	2.4
340.08578	0.6
361.14581	0.7
483.32898	100.0
484.33157	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83414	0.8
57.07069	1.8
63.25588	0.9
70.58867	0.8
71.08634	1.6
71.46061	1.4
85.06949	0.9
85.10198	1.3
89.06027	5.9
93.82271	1.1
104.07858	1.0
115.86845	1.0
133.08612	2.4
177.11269	1.5
185.18887	1.0
383.44604	1.1
421.32907	2.8
467.35291	1.7
483.32910	100.0
484.26242	1.3
484.32986	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	484.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.5
69.03430	1.7
70.06591	2.0
71.05003	0.4
72.08160	0.4
76.14134	0.4
81.07067	0.8
84.04496	0.4
85.02926	0.5
86.09711	0.4
91.05478	0.5
98.06042	0.7
99.04436	0.5
105.07040	0.8
107.04987	0.4
110.06030	0.6
110.07150	0.5
111.08093	0.8
120.08111	0.6
129.10188	0.5
129.95947	0.4
133.06525	0.6
134.09637	1.2
135.61951	0.4
136.07497	0.5
137.05945	0.7
139.03897	1.5
145.10072	0.4
150.09131	1.5
161.09583	1.5
162.05510	2.3
162.09171	1.7
163.03928	1.0
164.10730	2.1
165.80276	0.5
168.10236	0.6
184.11128	0.5
188.10719	1.1
189.09012	0.5
190.04997	0.5
190.12248	0.8
195.01155	0.5
202.12280	1.3
203.13025	1.1
204.13843	3.0
208.06088	0.7
208.13330	4.9
212.10678	0.5
216.10168	0.5
220.13324	0.5
230.11720	1.0
230.15372	3.6
231.10124	0.8
232.13332	1.6
248.12778	0.4
248.16475	1.0
258.14929	4.3
259.13223	0.6
260.12820	1.4
275.12772	0.9
276.15900	4.7
286.14380	4.9
294.16998	2.1
304.15436	4.9
305.13687	0.5
322.16483	100.0
323.16830	3.3
466.20575	0.6
484.21719	36.5
485.21970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05511	0.5
58.24176	0.4
64.34162	0.4
67.05506	1.2
68.85304	0.4
69.03430	2.4
69.07059	0.5
79.05482	1.6
80.05021	0.7
81.07050	1.2
82.06579	0.6
83.01355	0.5
86.07645	0.4
91.05483	1.4
93.07060	0.8
94.06571	0.8
95.04959	1.1
95.08584	0.5
96.04507	0.5
96.08129	0.9
97.02893	0.5
97.06536	0.8
97.08909	4.4
98.06069	2.1
98.22606	0.8
99.04469	0.9
102.65353	0.4
105.07005	0.8
106.06556	9.9
107.04988	0.5
107.07349	0.6
107.08580	0.9
108.05795	0.4
108.08109	1.3
109.10171	0.4
111.08073	0.5
119.05006	0.6
119.08604	0.7
120.08126	1.5
122.06042	0.7
122.09639	0.7
123.08077	0.9
124.11240	1.7
127.03924	0.9
131.08597	0.6
132.08112	1.2
134.09686	1.0
135.08055	0.5
136.11227	1.7
137.05959	0.7
137.09592	0.7
141.11485	3.2
144.08020	0.4
146.06027	1.7
146.09607	0.7
147.10484	0.7
148.07532	1.9
148.11246	0.8
150.09161	1.8
151.07582	0.8
153.09178	0.5
155.03394	1.6
155.07103	0.5
159.06854	0.9
159.08118	0.8
160.07600	1.9
160.11179	1.9
161.11909	0.5
162.12814	2.5
165.05493	1.2
167.07109	0.6
172.11261	0.8
173.08389	1.0
174.09146	5.2
174.12755	0.6
176.10738	0.8
176.14391	0.5
179.06985	1.0
183.06551	1.0
186.12807	0.5
188.10736	2.4
188.14319	1.4
194.05289	0.4
202.12268	18.8
203.13013	2.1
204.10228	1.4
204.13853	1.6
207.06563	1.7
214.08524	0.4
216.10205	1.9
217.08786	0.5
224.12637	0.4
225.07552	0.5
226.12180	0.4
229.08633	0.5
230.15306	0.5
232.17055	1.3
233.08189	0.8
234.15030	0.7
240.13849	1.1
241.14537	0.5
247.09648	4.8
249.11433	0.9
258.14960	3.2
275.12833	0.7
278.17535	0.6
289.20346	0.4
300.12344	1.8
300.16000	4.3
326.13913	0.4
332.15146	1.0
343.14218	2.1
344.14822	0.6
344.18698	1.1
358.16464	25.7
359.16666	0.8
368.18451	0.9
386.19574	4.7
387.20441	1.3
466.22714	0.8
469.21082	1.2
484.23315	100.0
485.23764	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50112	0.3
52.66753	0.4
55.01867	0.4
56.05028	0.6
58.06586	0.5
67.05504	1.0
69.03430	4.5
70.06590	6.0
71.04993	2.7
79.05490	1.2
80.05017	0.7
81.07051	1.1
82.06606	0.8
83.01352	1.3
84.08147	1.1
84.50681	0.4
88.03981	0.4
91.05490	0.9
93.07050	1.1
94.06593	1.1
95.04968	2.3
95.08604	1.9
96.08137	3.4
97.08922	1.5
99.04480	1.3
104.05294	0.6
105.07037	0.8
107.08613	0.7
108.08126	1.2
109.06494	0.6
109.08915	0.7
110.07153	0.8
110.09677	2.6
111.08074	15.9
115.03906	1.2
117.08807	0.4
119.08561	0.5
120.08075	0.5
122.09693	2.3
123.08057	1.8
123.10459	0.6
124.11218	2.4
127.03972	0.5
134.09665	1.0
136.11237	1.8
137.05962	1.4
138.12773	0.6
139.03920	1.2
139.07535	0.7
141.09123	1.5
143.03406	1.1
146.06248	0.5
148.11185	0.9
150.09177	1.2
150.12837	0.5
152.10696	2.2
155.06961	1.9
162.05492	0.8
162.12746	1.9
163.11026	0.4
164.10742	0.6
164.14351	4.1
166.12250	0.9
167.06967	0.8
177.09171	0.6
178.15936	0.5
180.13834	2.5
182.11777	1.4
182.15353	0.8
184.13310	2.7
187.07626	0.4
190.15974	1.7
195.16238	1.6
196.13353	1.0
197.08066	2.2
198.14958	1.1
205.08749	0.8
208.06139	0.5
208.17029	1.4
209.08136	0.7
214.14470	0.4
216.13893	0.5
219.10133	0.6
221.11737	0.5
223.09737	0.5
233.08199	0.5
234.14832	3.2
236.16493	0.9
237.11365	0.9
247.09741	1.3
250.18062	1.8
265.10779	2.3
274.18048	0.4
276.87479	0.4
278.17285	0.4
278.21179	0.7
280.18802	0.5
283.11935	0.6
294.20529	0.5
305.10165	0.4
306.20569	0.7
308.18643	0.7
322.20132	3.8
340.21042	1.1
352.17456	0.6
355.95566	0.4
360.18201	0.8
362.23398	0.5
368.20712	0.8
378.19086	4.4
387.54327	0.4
434.21750	2.4
448.23218	1.5
452.22797	3.8
466.24368	23.7
467.24567	0.7
484.25400	100.0
485.25732	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	484.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56382	0.2
55.01863	0.4
55.05507	0.5
58.06596	0.3
59.04990	0.4
63.33465	0.2
65.03938	0.3
67.05500	1.5
68.05025	0.5
69.03425	5.0
69.62215	0.8
70.06593	5.1
71.04996	2.9
79.05499	1.3
80.05014	0.8
81.05777	0.2
81.07066	1.2
82.06593	0.8
83.01350	2.2
83.04949	0.2
83.07350	0.4
84.08149	1.4
85.06545	0.3
91.05478	0.5
93.07037	1.0
94.06577	1.0
95.04971	2.2
95.08610	1.6
95.09124	0.3
96.08125	3.5
97.02862	0.2
97.06541	0.5
97.08914	1.9
98.09721	0.4
98.22719	0.3
99.04441	1.1
101.05978	0.3
105.07030	1.2
106.53571	0.2
107.08604	0.7
108.08117	1.1
109.06525	0.4
109.08908	0.4
109.10197	0.5
110.09687	2.6
111.08081	15.8
111.10483	0.7
113.09650	0.5
115.03922	1.3
119.08614	0.7
120.08109	0.5
121.10183	0.4
122.09656	2.0
123.08075	2.3
123.10433	0.5
124.11235	2.9
125.05987	0.7
127.03908	0.5
129.07071	0.2
131.08586	0.4
132.08080	0.3
133.10130	0.5
134.09645	0.9
135.08031	0.3
136.11211	2.1
137.06012	0.6
137.11990	0.4
138.12784	0.9
139.07565	0.4
140.10681	0.3
141.05408	0.3
141.09100	1.9
143.03413	1.2
143.08530	0.3
145.02824	0.4
146.09653	0.5
147.10513	0.2
147.11670	0.4
148.11214	0.8
149.05942	0.5
150.09157	1.0
150.12775	0.6
152.10725	2.3
152.14407	0.3
154.12263	0.3
155.07013	1.5
156.79584	0.2
159.08043	0.2
160.11243	0.5
161.09636	0.7
162.09172	0.4
162.12781	2.4
164.10678	0.4
164.14351	3.2
166.12286	0.6
167.07042	0.8
167.13013	0.3
168.10245	0.4
169.08713	0.4
176.08453	0.3
176.14342	0.5
177.05444	0.5
177.09187	0.7
178.15945	0.7
179.10703	0.5
180.13829	2.6
182.11769	1.6
182.15411	0.9
184.11116	0.2
184.11678	0.3
184.13304	2.9
188.14363	0.4
189.09195	0.4
190.12321	0.4
190.15897	1.9
193.12306	0.5
194.11824	0.3
194.15472	0.5
195.16223	1.3
196.13315	1.2
197.08064	1.6
198.14899	1.2
202.12338	0.3
205.08592	0.8
206.15477	0.6
207.07660	0.3
208.13266	0.3
208.16965	2.6
209.06323	0.3
209.08083	0.5
210.14935	0.4
214.14465	0.4
215.07164	0.2
218.15407	0.5
219.10178	0.6
220.13240	0.3
221.11607	0.6
223.09715	0.6
224.16429	0.3
233.08104	0.4
234.14865	3.4
236.16437	1.0
236.20064	0.3
237.11232	0.7
247.09612	1.4
248.16443	0.4
250.18040	2.5
262.18091	0.3
265.10675	2.3
266.17505	0.3
274.17996	0.2
278.21152	0.9
280.19159	0.5
283.11688	0.7
292.19144	0.2
294.20618	0.5
306.20782	0.9
308.18591	1.4
322.20084	4.2
324.21780	0.4
340.21304	1.4
342.76599	0.3
352.17526	0.6
360.18015	0.7
362.23373	0.7
368.20789	0.5
378.19070	4.8
416.20493	0.3
422.25516	0.8
434.21652	2.9
438.24792	0.6
448.23376	1.6
452.22769	4.6
466.24371	23.5
467.24738	1.3
484.25403	100.0
485.25732	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
56.05024	0.3
59.04993	0.5
60.86246	0.2
67.05499	1.3
68.05040	0.5
69.03432	5.1
69.07084	0.3
69.78459	0.2
69.83126	0.9
70.06592	5.4
71.04989	2.9
79.05499	1.2
80.05012	0.7
81.03401	0.3
81.07065	1.2
82.06585	0.8
83.01349	1.8
83.04986	0.4
84.08149	1.7
85.02907	0.2
91.05484	1.1
93.07039	1.2
94.06586	1.5
95.04961	2.2
95.08624	2.2
96.08136	3.6
97.06541	0.6
97.08923	1.5
97.92495	0.2
99.04486	0.8
104.05310	0.3
105.07038	1.1
106.06549	0.4
107.04979	0.3
107.08617	0.7
108.08148	1.2
109.06539	0.7
109.08950	0.4
109.10133	0.4
110.07164	0.4
110.09662	2.2
111.08079	15.4
111.10446	0.6
113.09631	0.6
115.03938	1.4
117.07039	0.3
119.08586	1.0
120.08104	1.0
121.10194	0.5
122.09666	2.2
123.08089	2.0
123.10475	0.5
124.07598	0.4
124.11253	2.7
125.05978	0.6
125.12033	0.5
127.03905	0.6
127.56233	0.3
131.08565	0.6
133.06499	0.4
133.10179	0.3
134.09657	0.8
135.08061	0.6
135.10451	0.4
136.11197	1.9
137.06000	1.0
137.12019	0.4
138.09140	0.3
138.12759	0.7
139.03868	0.5
139.07568	0.6
141.09129	1.8
143.03442	1.0
143.08511	0.5
145.10133	0.3
146.09628	0.5
147.08066	0.4
148.11266	0.7
150.09178	1.3
150.12767	0.5
152.10683	2.4
152.14317	0.3
155.07033	1.2
159.08081	0.6
160.11217	0.6
161.09605	0.6
162.05486	0.7
162.09227	0.5
162.12772	2.5
163.07608	0.3
164.10718	0.6
164.14351	3.9
166.12335	0.6
167.07069	0.8
168.10251	0.8
173.09692	0.3
174.12918	0.3
176.14392	0.6
177.09177	0.6
178.12276	0.3
178.15962	0.4
179.07014	0.4
179.10805	0.3
180.13829	2.4
182.11769	1.8
182.15433	0.9
184.13330	3.2
187.07532	0.6
188.08467	0.3
189.09099	0.4
190.15895	1.6
191.07031	0.6
193.12297	0.3
194.11852	0.3
194.15416	0.4
195.16191	1.3
196.13348	1.4
197.08141	1.7
198.14920	1.6
202.12306	0.3
205.08638	0.8
206.15503	0.4
208.06062	0.3
208.13290	0.5
208.16963	2.9
209.08090	0.5
210.14995	0.8
214.14450	0.6
216.13908	0.4
218.15469	0.5
219.10199	0.5
222.14920	0.3
223.09648	0.6
224.16423	0.5
233.08061	0.3
234.14891	3.5
236.16478	0.4
236.20036	0.3
237.11337	0.6
247.09615	1.3
248.16458	0.3
250.18062	2.8
265.10712	2.8
274.18024	0.4
278.21185	0.9
280.19238	0.5
283.11856	0.4
290.17526	0.4
294.20651	0.6
305.10358	0.3
306.20737	0.6
308.18622	0.9
322.16586	0.5
322.20105	3.7
335.36072	0.3
340.21210	1.5
352.17691	0.5
360.17905	0.4
362.23206	0.4
368.20776	0.9
378.19089	4.6
390.22827	0.4
406.22437	0.4
422.25415	0.6
434.21750	3.2
438.24969	0.6
448.23364	1.7
452.22824	4.2
466.24377	23.3
467.24890	0.8
484.25406	100.0
485.25610	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	484.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05507	0.9
56.05030	0.5
59.05024	0.5
67.05507	1.3
67.09801	0.3
68.05029	0.6
69.03433	5.7
69.70117	1.1
70.06593	6.3
70.68356	0.4
71.04991	2.8
79.05488	1.7
80.05003	0.9
81.03413	0.5
81.07051	1.3
82.06575	0.9
83.01344	2.1
83.04988	0.5
84.08143	2.2
86.02213	0.3
87.04538	0.4
91.05482	1.3
93.07043	1.4
94.06585	1.1
95.04965	2.3
95.06087	0.4
95.08608	2.9
96.08121	4.0
97.02912	0.6
97.06517	0.7
97.08902	1.2
99.04467	0.9
105.07024	1.1
107.08610	0.8
108.08125	1.3
109.06535	0.9
109.08935	0.7
109.10180	0.5
110.07163	1.7
110.09700	2.7
111.04404	0.4
111.08086	16.9
111.10491	0.5
113.09644	0.7
115.03940	1.0
117.07024	0.5
119.08611	0.7
120.06007	0.4
120.08109	0.8
122.09670	2.4
123.08070	2.4
123.10445	0.5
124.11221	3.1
125.06002	1.0
127.03952	0.5
129.05544	0.4
131.08591	0.6
133.06531	0.5
134.09676	1.1
135.08099	0.6
136.11223	2.6
137.06003	0.8
138.12831	1.2
139.07578	0.5
141.09122	2.1
143.03433	1.2
145.10115	0.4
148.11261	0.5
149.05890	0.4
150.09149	1.9
151.07669	0.4
152.10692	2.9
155.06996	1.7
156.07661	0.7
159.08101	0.4
160.11237	0.7
161.09705	0.6
162.09114	0.4
162.12787	2.6
164.10704	0.7
164.14366	4.0
165.09151	0.4
167.07063	0.8
168.10266	0.5
173.09647	0.5
174.12808	0.6
176.14378	1.2
177.05534	0.4
177.09195	0.4
178.12317	0.5
178.15941	0.7
179.07051	0.5
180.13838	2.4
182.11807	1.7
182.15402	0.8
184.13342	2.9
187.07602	0.7
189.09161	0.6
190.15948	1.4
191.10747	0.5
194.15489	0.7
195.16208	1.1
196.13373	1.6
197.08060	2.3
198.14880	1.1
202.12387	0.5
204.14008	0.5
205.08725	0.7
206.67876	0.4
208.13345	0.6
208.16994	2.4
209.08081	0.5
210.15034	0.6
214.14291	0.7
218.11879	0.4
218.15506	0.6
219.10211	0.8
219.12172	0.5
220.13441	0.9
223.09645	0.9
224.16487	0.5
233.08250	0.5
234.14923	2.6
236.16588	1.1
237.11221	0.9
247.09708	1.4
248.12852	0.9
250.18007	3.3
252.15968	1.1
264.16092	0.4
265.10690	1.8
278.21082	0.4
280.19241	0.5
283.11722	0.9
292.19067	1.5
294.20578	0.4
306.20651	0.8
308.18414	2.3
322.20129	4.0
340.21198	1.1
346.16461	0.5
352.17538	0.7
360.18222	0.7
362.23035	0.7
368.20984	0.7
378.19150	5.3
386.21643	1.6
422.25150	0.5
434.21570	2.9
440.19370	0.4
448.23416	1.8
452.22754	3.9
466.24408	22.3
467.24796	1.1
484.25403	100.0
485.25778	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	484.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05507	0.7
56.05023	0.6
56.20723	0.3
57.03439	0.5
57.77258	0.3
58.06599	0.5
59.05011	0.4
67.05519	1.6
68.05032	0.7
69.03429	5.3
69.07061	0.5
70.04902	0.7
70.06591	5.3
71.04993	3.3
79.05497	1.5
80.05021	5.0
81.03419	0.4
81.07058	1.6
82.06593	0.8
83.01348	2.0
83.01756	0.4
83.05039	0.4
83.07373	0.4
83.43116	0.3
84.08138	1.4
85.02923	1.0
86.09701	0.5
88.76569	0.3
91.05492	1.0
93.07053	1.8
94.06556	1.6
95.04971	4.4
95.08595	2.7
96.08136	3.3
97.02893	0.3
97.06535	0.9
97.08896	1.5
98.06068	0.4
99.04443	1.1
99.06865	0.3
101.06033	0.5
105.07041	1.1
106.06554	0.4
107.08588	0.8
107.89585	0.3
108.08121	1.2
109.06506	1.1
109.08901	0.6
109.10146	0.7
110.09679	2.7
111.08082	17.5
113.06001	0.7
113.09666	0.3
115.03945	1.6
117.07032	0.4
119.04884	0.3
119.08607	0.8
120.08083	1.3
121.10138	0.5
122.09679	2.4
123.04452	0.4
123.08081	2.1
123.10455	0.7
124.11233	3.0
125.05997	0.8
125.09633	1.4
125.12064	0.3
127.03932	0.7
131.08559	0.4
132.08052	0.3
133.10133	0.3
134.09673	1.2
135.08046	0.5
136.11232	2.0
137.05994	1.2
137.09628	0.7
137.12027	0.3
138.09148	2.2
138.12791	0.5
139.07544	0.5
139.09854	0.4
141.05444	0.5
141.09103	1.8
143.03409	0.9
143.08572	0.4
143.10728	0.5
145.04955	0.3
145.10178	0.5
146.09702	0.4
147.08002	0.4
147.11699	0.3
148.07593	0.9
148.11246	0.8
150.09116	1.8
150.12785	0.5
151.07599	0.3
152.10709	2.8
153.05469	0.4
155.07033	2.0
156.10210	1.3
159.08043	0.4
160.11241	0.3
161.09608	0.6
162.09132	0.5
162.12779	2.2
164.14346	3.3
166.08696	0.8
166.12331	0.7
167.07098	1.2
167.08537	0.3
168.10226	0.9
169.08641	0.3
173.11769	0.6
174.12794	0.6
176.14330	0.7
177.09117	0.6
178.15962	0.8
179.07104	0.6
180.10159	0.4
180.13812	2.4
182.11720	2.0
182.15370	0.8
183.06689	0.4
184.07361	1.4
184.09705	3.0
184.11339	0.3
184.11662	0.3
184.13300	2.8
187.07523	0.3
189.09151	0.7
190.15918	1.5
191.07133	0.4
193.12244	0.4
194.15433	0.4
195.16200	1.1
196.13315	1.7
197.08115	1.2
198.14899	1.4
201.11298	0.5
202.10736	9.6
202.12589	0.5
203.10979	0.4
205.08626	0.7
206.15475	0.7
208.13199	0.3
208.16998	2.6
209.08157	0.5
210.14903	0.4
214.14377	0.6
216.13885	0.5
218.15388	0.3
219.10239	0.6
221.11795	0.5
223.09676	0.7
224.16518	0.5
226.14435	1.0
232.13368	0.3
233.08119	0.7
234.14862	3.3
236.16507	0.9
236.20216	0.4
237.11273	0.6
239.12735	0.3
246.18530	0.5
247.09688	1.4
248.16647	0.5
249.43698	0.3
250.18044	2.1
262.18015	0.5
265.10690	1.7
274.17816	0.3
278.21219	0.6
280.19055	0.5
292.19370	0.4
294.20538	0.7
306.20636	0.7
308.18619	1.1
310.13239	0.3
322.16602	0.6
322.20078	4.3
324.21796	0.4
340.21271	1.2
352.17657	0.8
360.17944	0.6
368.20920	0.6
378.19110	4.8
381.38120	0.3
422.25513	0.5
434.21927	3.3
438.24899	0.5
448.23761	1.9
452.22690	5.0
466.24451	21.6
467.24686	1.2
484.15787	2.9
484.25449	100.0
485.25775	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	484.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	4.0
56.96586	1.6
58.06607	0.9
67.05505	2.4
68.05013	1.0
69.03439	5.1
69.07071	2.0
70.06590	9.2
71.04998	3.8
71.44946	0.9
72.08164	2.2
75.22977	0.8
79.05518	2.5
80.05016	30.2
80.05464	1.5
81.03445	2.6
81.07096	0.9
82.06586	2.0
83.04980	1.1
84.04510	2.9
84.08148	1.3
85.02901	6.2
86.09698	4.1
87.04468	1.3
91.05473	2.1
93.07050	3.3
94.06580	3.5
95.04964	14.5
95.05515	1.2
95.08616	2.6
96.08138	3.3
97.02898	3.3
98.06068	3.9
98.97601	3.0
99.04465	2.9
101.06101	1.1
102.05573	1.8
104.05333	2.3
105.07057	1.7
107.08595	1.5
109.02906	1.2
109.06524	1.3
110.07227	1.2
110.97621	1.1
111.08080	2.1
112.11267	1.0
113.06040	1.6
115.03955	1.8
116.06038	0.8
116.98646	1.1
117.03422	2.3
119.08577	1.9
120.08105	8.0
122.09660	1.2
123.04447	2.7
123.08099	1.0
127.03921	5.1
127.07547	7.8
128.98672	1.6
131.07106	1.0
135.04434	1.1
136.07561	2.2
137.06013	2.0
137.09583	1.1
138.09132	18.9
139.07542	1.3
139.70197	0.8
140.10799	1.0
145.02876	6.3
145.04990	2.3
145.10115	1.3
147.07936	1.1
148.03912	4.8
148.07555	8.7
149.05972	2.2
150.09198	3.2
152.10733	1.9
154.12314	1.9
155.03415	0.9
155.07039	2.2
156.10179	8.5
160.11336	1.0
161.01245	1.4
162.01686	1.0
162.05501	23.0
162.06845	1.3
162.12749	0.9
163.03885	11.8
165.05548	1.3
166.08652	4.1
168.10249	1.8
168.59659	0.8
174.05843	2.1
177.05444	8.7
180.10278	1.2
182.11804	1.0
183.06599	1.4
184.07336	1.7
184.09694	17.6
184.11234	1.1
190.05063	3.5
193.08385	0.8
194.25533	0.9
198.11256	4.8
200.12914	2.6
201.11311	1.1
202.08696	1.1
208.06073	8.5
216.12294	20.4
219.01860	1.4
220.09610	6.4
220.13101	0.9
229.15559	3.0
234.11201	2.0
234.14888	1.1
236.16635	1.3
237.02878	1.8
243.66805	0.9
250.18207	1.0
251.12950	2.4
266.98206	0.9
278.17700	2.8
293.11401	2.1
301.25189	1.1
370.05212	2.0
387.06131	1.6
388.06543	3.9
406.22336	1.4
422.67279	0.9
434.22137	1.3
448.23270	1.6
452.22983	5.8
457.17648	0.9
466.24301	15.0
484.09882	2.3
484.25336	100.0
485.25662	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	484.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01871	0.7
55.05510	0.9
57.27148	0.3
63.45057	0.3
67.05512	1.5
69.03426	2.7
70.06604	0.6
71.05006	1.0
71.43478	0.4
76.29785	0.4
79.05510	1.7
80.05034	1.2
81.03416	0.6
81.07078	2.1
82.06600	0.8
83.01354	1.5
83.04982	1.9
84.04520	0.5
84.08173	0.8
85.02927	1.1
85.06541	0.6
86.09684	0.4
91.05486	2.1
93.07025	1.8
94.06590	1.4
95.05003	1.3
95.08620	1.7
96.08135	0.9
97.02895	0.7
97.06530	0.7
99.04494	1.0
99.08081	0.5
104.13927	0.3
105.07043	2.9
107.04987	0.4
107.08624	1.3
108.08126	1.0
109.06509	0.6
109.10196	0.7
110.09738	0.6
111.04478	0.7
113.05994	0.6
115.03954	0.8
117.07049	0.7
119.08615	2.3
120.08124	1.0
121.10169	0.7
122.09686	2.5
123.08083	1.0
123.11746	0.4
124.11245	0.4
127.03930	2.8
128.06271	0.6
129.07085	0.6
130.04993	1.9
131.08595	1.0
133.06531	1.2
133.10159	1.4
134.09692	1.6
135.08083	1.1
136.11229	9.4
136.12250	0.6
137.06007	1.4
137.09656	0.9
137.12048	0.8
139.07555	0.8
141.98158	0.3
143.08609	0.7
145.04951	0.7
145.10136	1.2
146.09653	0.5
147.08070	1.0
147.11708	0.4
148.11218	0.8
149.09679	0.9
149.12047	0.5
150.09097	2.1
151.07574	1.3
152.10704	0.6
155.08562	0.6
159.08121	0.7
159.11716	0.6
160.11279	1.1
161.05981	0.6
161.09679	0.6
161.12068	0.5
161.13310	0.5
162.12779	2.9
163.07562	0.8
163.13588	1.5
164.14380	3.0
165.09174	1.2
168.10226	0.7
169.10181	0.4
171.08107	1.1
171.11757	0.4
173.09682	1.1
174.12856	0.5
175.07674	0.5
175.11275	0.5
176.08388	0.5
176.14377	1.4
182.11800	2.7
186.11351	0.6
186.12834	0.6
188.14418	1.1
189.09052	0.6
189.12898	0.4
190.15964	0.7
191.07085	1.2
193.08626	0.9
201.12921	0.5
203.10753	1.0
205.08630	0.5
205.12215	0.4
207.06650	1.1
208.13399	0.5
214.15965	0.5
217.08705	1.3
219.10216	1.0
220.13536	0.6
221.08209	1.5
232.13443	0.5
232.16988	0.5
233.11789	1.5
233.13911	0.4
234.14926	1.4
236.16522	2.3
244.17189	0.4
249.11320	1.4
258.18689	0.6
260.16476	6.8
261.17105	0.5
262.18030	13.7
274.18173	0.5
284.16550	0.4
298.18085	0.6
312.19592	0.5
326.21344	0.7
354.20850	1.1
386.23242	2.3
410.23254	2.2
429.65540	0.4
440.28137	1.2
466.25140	0.6
484.27057	100.0
485.27594	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	484.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01858	0.5
55.05500	0.6
57.07073	0.3
59.59705	0.3
60.04509	0.8
60.27627	0.3
65.03933	4.1
67.05504	2.5
69.03408	0.5
69.07059	0.4
70.14728	0.5
70.23604	0.2
71.08624	0.5
72.08154	0.4
79.05474	0.7
81.07036	0.5
82.04202	1.5
83.08601	0.5
85.02912	2.7
86.09698	0.3
93.03390	1.0
95.04948	1.0
95.08611	1.0
97.06529	1.5
108.02087	0.8
110.03655	1.9
111.04437	0.7
111.36445	0.2
123.00786	0.4
125.05982	1.6
134.14622	0.2
136.93108	0.3
138.03096	1.6
140.04678	0.3
142.02608	1.0
146.98177	0.3
150.95601	0.6
153.05460	3.2
155.07056	0.2
168.95735	0.6
171.06514	5.6
181.04945	100.0
182.05257	1.8
186.96768	1.3
194.07980	0.3
198.07587	0.5
204.97870	0.6
237.60429	0.2
240.08539	0.3
250.25293	1.2
251.23482	0.4
268.26297	1.9
285.86874	0.3
286.27377	4.6
304.28406	4.1
317.17828	1.5
335.19138	0.5
380.91998	0.3
448.30453	0.5
453.17059	0.7
466.25485	0.4
466.31607	4.4
467.31018	0.5
471.18289	0.6
472.28839	0.2
484.25357	0.8
484.32703	6.3
484.46912	0.4
485.19934	0.7
485.32928	0.5
500.56104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05513	8.3
57.07072	7.8
62.26595	1.5
67.05498	26.0
69.03426	3.5
69.07071	11.0
69.31655	3.4
69.32065	4.3
71.04993	3.7
71.08630	5.7
79.05493	12.3
81.03419	15.6
81.07061	18.6
83.04969	5.1
83.08622	4.2
85.06538	4.2
85.07240	1.6
85.10184	6.0
85.98737	1.5
89.06048	1.7
91.05479	25.3
93.07043	22.8
95.04977	11.5
95.08606	17.1
96.83654	1.6
97.06531	3.2
97.10166	2.7
99.08092	4.6
101.06023	1.9
105.07022	14.8
107.08578	6.8
109.06542	4.0
109.10163	11.6
111.08076	3.3
113.09659	4.6
119.08620	5.6
121.10150	7.1
123.08051	2.6
123.11715	2.9
129.55023	1.4
131.08548	4.0
133.10132	61.0
135.11746	4.5
137.09621	7.9
139.11208	1.7
147.08052	2.4
147.11679	4.3
147.37320	1.6
149.09576	4.1
149.13266	3.3
151.11206	9.4
159.11707	2.1
161.13222	3.4
163.11162	2.3
163.70085	1.5
165.12769	6.5
173.11746	2.0
189.16267	1.6
194.32086	1.5
195.68982	1.5
203.12862	1.7
221.15434	2.2
241.19574	1.7
249.37410	1.5
259.20602	4.6
277.21613	77.1
278.21985	3.2
295.22672	100.0
296.22910	2.2
313.27411	4.7
365.10477	1.7
466.23920	2.0
467.38531	2.1
484.24930	5.6
484.47186	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	484.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.2
53.29604	1.7
55.05509	6.7
57.07079	10.9
60.65945	2.0
67.05508	17.2
69.03416	1.8
69.07059	6.0
71.08643	6.7
77.90376	2.0
79.05495	9.9
81.03423	5.6
81.07057	13.5
81.19284	1.7
82.41922	1.6
83.04975	3.8
83.08641	2.4
83.81281	1.7
85.10182	14.3
89.06029	5.0
90.06391	2.1
91.05493	10.7
93.07044	9.8
93.13855	1.7
95.04976	7.1
95.08615	10.5
97.06577	2.7
97.10189	3.8
99.08118	2.7
105.07032	16.0
107.04977	4.6
107.08605	4.7
109.06532	3.1
109.10153	5.7
111.08072	2.0
113.09647	16.5
119.08562	3.9
121.10164	3.7
123.08088	2.1
123.11753	2.9
131.08575	4.3
133.08592	3.2
133.10126	12.9
135.11723	2.0
137.09613	2.7
143.38152	1.8
147.11656	3.1
149.09581	3.7
149.13177	2.2
151.11177	2.2
163.11218	4.6
165.12764	18.3
173.11794	2.4
218.28987	1.8
241.19530	2.4
259.20673	2.0
277.18613	2.8
277.21640	57.6
290.78265	2.1
295.22678	100.0
296.23175	2.8
313.27417	6.5
365.10422	2.2
466.24197	2.9
484.25555	10.6
484.47165	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	484.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
55.56205	0.9
57.07077	26.6
59.05000	0.9
69.07086	1.0
69.24776	2.4
69.25191	1.4
71.08636	26.1
73.06548	6.0
76.10992	0.7
83.08611	2.9
84.54472	0.7
85.10184	26.1
87.04469	3.5
89.06036	100.0
91.07584	1.0
93.07047	0.8
95.08618	0.8
97.10164	1.1
99.11732	3.6
107.07092	2.9
111.08121	1.0
111.99218	0.7
116.86813	0.8
117.09126	4.7
130.08661	2.9
131.07056	1.1
133.08609	50.5
141.16420	3.9
159.28267	0.8
161.11734	1.4
177.11221	21.3
179.12836	0.8
179.72705	0.7
180.71135	0.7
185.19035	7.1
195.12387	1.0
220.26715	0.8
221.13780	5.1
226.21783	1.4
229.21629	12.5
235.34216	0.7
239.14928	2.7
265.16507	1.0
271.76053	0.7
273.24292	7.9
283.17639	2.2
317.26703	0.8
327.20145	10.9
363.39102	0.7
379.30911	1.2
413.51508	0.8
423.33475	1.4
467.35818	21.6
471.18188	0.8
484.25198	1.4
484.38309	1.1
484.47772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
69.03428	4.0
69.94332	3.0
73.02938	1.0
81.03430	2.2
85.02911	10.1
87.04485	1.8
91.03954	0.9
97.02896	3.8
98.03073	0.8
103.03979	1.1
109.02884	1.2
115.03928	5.8
118.06567	1.0
127.03910	5.0
133.04979	1.1
145.04950	5.0
146.06007	100.0
147.06374	1.2
148.18428	0.8
160.07581	1.7
170.06055	1.6
188.07111	4.3
192.06560	54.6
193.06956	1.6
234.07617	6.1
254.08070	1.3
258.07690	2.3
259.08090	1.4
282.07632	2.4
300.08557	2.3
304.32144	1.0
348.74176	0.9
376.53406	1.0
406.35327	1.0
432.12985	1.3
458.60477	1.0
485.25754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06564	3.0
77.63334	2.8
79.05481	3.0
91.05465	10.5
93.07053	4.3
103.05475	9.2
107.04949	5.8
115.43204	2.8
121.06474	15.7
123.04401	5.7
131.04939	3.9
135.08047	5.8
137.06006	8.1
140.04724	4.0
148.91335	3.0
149.05988	11.8
159.04381	4.6
167.07034	100.0
177.05473	34.6
194.05727	4.1
209.08051	26.8
227.09114	36.5
257.10565	3.7
279.04520	2.9
323.30719	3.2
341.73969	2.8
397.05270	3.0
439.78723	3.6
485.25388	12.9
486.15070	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	485.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05515	10.1
57.59826	1.8
58.99576	7.4
67.05503	13.4
69.07072	2.6
70.02930	2.0
70.06591	3.2
72.91634	2.0
73.01128	2.1
76.03983	2.2
79.05476	4.6
80.05024	2.2
81.07045	5.6
83.08588	4.1
86.00652	2.9
86.99049	7.0
88.02199	3.2
91.05490	2.9
93.07062	4.3
95.08591	3.4
96.04479	4.1
97.10168	10.2
98.09684	2.2
100.02203	2.5
102.40625	2.1
105.06990	5.8
107.08582	6.4
108.04487	4.4
109.10155	6.7
112.02195	13.9
113.00569	2.5
114.05914	2.0
116.01677	30.1
119.08616	2.7
120.08133	2.6
122.06029	4.6
125.09628	5.2
126.03726	8.6
126.09144	2.2
135.08049	2.7
136.02185	3.3
137.09627	2.0
138.03734	6.8
144.01138	14.5
150.03719	5.7
150.09105	3.2
152.05284	2.6
152.10718	11.5
153.07368	2.4
154.03206	7.9
162.02127	11.4
166.03203	2.0
166.06802	2.2
166.16946	2.2
168.08411	11.0
176.10655	3.7
178.03119	2.5
180.08539	2.8
182.09978	15.2
184.07935	11.1
192.08467	2.8
194.10037	19.5
210.09468	59.3
211.09625	2.2
238.08904	3.0
253.06461	4.9
267.11734	2.1
279.19406	2.7
285.12616	18.8
295.10971	2.5
296.11768	4.2
297.12616	33.5
311.10577	4.1
313.12161	100.0
314.12610	2.2
318.19025	2.6
336.19763	4.0
346.18390	4.7
364.15088	2.4
364.19440	8.0
392.18964	3.0
421.21579	4.5
439.22534	6.1
449.21158	12.4
467.22156	63.6
468.22073	2.5
485.17291	3.7
485.23203	38.6
486.18030	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	485.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15322	1.0
54.38998	1.0
54.96698	1.0
58.06602	1.9
59.79870	1.0
60.08168	1.5
64.08887	1.2
65.03931	2.0
69.07060	1.2
70.06575	1.1
73.23113	1.1
76.70300	1.1
79.05504	7.3
81.07066	1.7
91.05478	30.1
93.07039	3.8
95.04960	2.4
103.05469	4.3
104.10739	1.8
105.07021	31.8
107.04951	1.3
109.06509	3.2
117.07032	1.8
119.06081	1.3
120.05708	1.8
121.06496	21.5
123.04517	1.2
127.82668	1.0
128.06244	1.5
129.06985	4.4
131.08571	1.6
133.08624	1.2
135.08051	45.1
137.05974	3.6
141.06992	3.5
143.08582	2.3
149.90895	1.1
151.07520	4.6
157.10095	1.1
165.07048	2.4
166.07768	1.4
172.44592	1.2
173.09583	1.3
175.07558	10.7
179.08716	1.5
181.10135	2.6
189.09084	1.6
197.09473	1.4
201.09131	1.5
209.09590	1.5
212.08391	1.9
213.09033	3.9
227.10661	11.6
236.14977	1.9
239.10626	1.6
241.08627	5.2
242.09354	1.6
255.10153	7.9
257.11487	1.4
259.13226	2.7
269.11783	1.8
271.13327	1.2
309.14661	1.6
359.15945	1.5
387.22757	1.9
411.03259	1.3
439.22476	3.1
467.22192	100.0
468.22470	4.8
484.36609	1.5
485.23587	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	485.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66132	1.3
55.05510	9.2
65.03943	6.6
67.05501	3.2
68.31116	1.7
79.05494	6.3
83.01343	1.9
91.05484	62.4
93.07047	16.1
95.04996	5.0
103.05482	4.5
105.03414	2.9
105.04543	2.0
105.07036	59.0
107.04965	3.8
109.06536	14.1
115.05424	2.2
119.06055	6.9
120.05719	2.3
121.06514	100.0
128.06247	2.8
129.06995	3.7
131.04953	1.8
131.08571	2.5
133.06499	2.3
135.04431	2.7
135.08066	36.1
137.05997	7.7
141.07039	4.1
144.05705	14.1
145.06494	4.8
147.08049	2.4
149.06023	3.0
151.07530	6.1
155.06119	1.8
156.05664	2.6
158.07295	6.3
159.08061	25.2
161.09625	5.0
165.07069	2.1
166.07774	2.9
171.08060	31.4
173.09583	7.0
175.07568	10.8
175.11215	7.5
178.07851	2.0
179.08577	13.4
181.06505	3.1
181.10162	3.0
185.05896	44.0
185.09560	1.9
186.96820	3.0
188.08339	5.5
196.08905	6.4
197.09770	3.2
201.09167	1.7
203.07031	11.6
203.10689	7.7
209.09596	2.5
211.07526	1.6
211.11244	12.2
213.09158	2.7
213.12766	3.1
224.08330	3.6
225.09105	5.7
227.10611	8.7
229.12276	5.2
239.10767	6.9
242.09467	1.9
255.10136	6.7
255.13898	3.1
257.11761	23.7
269.45557	1.7
279.13705	7.4
281.11838	2.3
303.13452	2.0
317.17932	3.4
323.08984	2.4
328.20349	1.4
359.16312	2.3
377.17484	7.2
434.52853	1.6
439.22754	21.1
467.22314	31.8
467.32291	1.8
468.22266	2.4
471.17883	1.7
485.23611	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04315	0.6
53.03944	2.8
55.01876	2.3
55.05511	2.8
57.03449	3.8
57.07072	3.4
59.05001	1.2
61.02942	3.7
65.03938	1.1
67.05509	6.9
69.03431	21.1
69.07069	4.1
69.59596	2.7
71.04993	6.3
73.02910	3.7
79.05495	6.4
81.02956	1.0
81.03424	11.3
81.07059	11.3
83.04978	2.8
83.08608	3.5
85.02908	45.4
85.06559	7.3
87.04469	11.2
91.03954	2.5
91.05490	4.0
91.89533	0.7
93.00138	0.6
93.07050	11.3
94.81092	0.6
95.04971	100.0
95.08601	4.8
97.02898	17.1
97.06535	2.4
99.04462	26.4
103.03951	3.0
103.05464	0.8
105.07040	6.9
107.04929	1.4
107.08598	11.3
109.02880	9.1
109.06522	6.9
109.10171	9.5
109.10898	1.0
111.04436	1.7
111.08099	2.9
113.05989	4.2
115.03937	30.7
115.07607	1.1
117.07020	1.3
119.08587	6.4
121.06496	1.8
121.09270	1.1
121.10143	17.6
123.08093	3.4
123.11712	2.4
125.05997	1.0
125.09612	1.0
127.03918	25.4
130.06552	0.8
130.07848	0.7
131.08592	2.7
133.04970	5.1
133.06534	1.3
133.10115	9.6
135.08084	4.6
135.11710	3.8
137.05986	3.1
137.09642	2.5
139.11208	1.0
143.08575	2.0
145.04971	22.0
145.10101	6.0
147.08032	2.0
147.11717	2.1
149.05980	1.5
149.09633	2.0
149.13289	1.9
151.07568	2.0
151.11214	2.2
153.09109	36.1
157.10153	2.1
159.08044	1.6
159.11726	2.0
161.09624	2.3
161.13274	1.7
163.05983	1.1
163.07620	0.9
163.11171	0.9
163.14844	4.4
165.09135	1.0
167.07053	1.1
167.14334	1.9
169.10150	1.0
171.10184	1.0
171.11584	0.9
173.09648	3.0
173.13254	5.4
175.11186	1.1
175.14880	1.0
177.09135	0.9
181.12206	1.2
185.08109	1.0
185.09703	1.4
187.05984	1.3
187.14906	1.0
189.09187	1.0
191.10707	0.8
191.14317	8.9
193.15904	1.1
195.10170	1.9
197.09644	1.5
199.11263	0.7
205.15828	0.9
207.13808	1.6
209.15375	75.8
210.15671	1.4
211.11276	1.1
215.10654	0.9
215.14334	1.4
217.07097	1.4
217.15933	1.0
221.15291	1.0
231.13861	1.4
233.15271	3.1
241.07036	1.3
243.13765	0.8
245.15404	2.3
247.17067	0.9
249.14862	1.2
251.16438	0.9
259.07758	4.8
263.16418	1.0
271.16980	1.9
275.16498	2.2
277.09348	1.8
293.17422	1.0
299.16501	5.9
305.17310	0.7
307.19171	0.7
317.17459	6.9
335.18436	3.1
353.19806	1.5
449.21777	2.4
467.22928	1.9
485.24402	2.0
502.24725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30680	0.4
53.03951	0.9
55.01883	0.5
55.05505	2.0
57.03430	0.5
57.07079	0.8
61.02935	0.6
67.05518	2.1
69.03432	7.2
69.07059	1.9
69.33013	1.5
69.33433	0.7
70.03761	0.4
71.05004	0.9
73.02917	0.7
79.05499	5.1
81.03435	2.7
81.07055	8.8
83.04992	2.3
83.08629	1.0
85.02906	9.9
86.03252	0.5
87.04469	2.1
91.03952	0.5
91.05480	5.2
93.07046	3.6
95.04955	1.7
95.08594	2.5
97.02898	3.8
97.06535	1.8
99.04472	0.8
100.69886	0.5
105.04477	0.5
105.07030	6.6
107.04950	4.0
107.08598	21.0
109.02907	2.5
109.06518	4.8
109.10159	6.8
111.08113	0.6
115.03937	7.4
115.05451	1.3
117.06982	2.2
119.06091	0.9
119.08604	2.8
121.06512	1.6
121.10148	9.8
122.07278	4.7
123.08092	1.4
124.55921	0.4
125.09643	0.6
127.03924	6.0
131.08568	3.0
133.04970	1.4
133.10130	100.0
134.10475	1.3
135.08046	8.5
135.11674	1.4
137.09618	59.0
138.09970	1.0
139.11151	0.6
145.04950	5.0
145.10144	1.4
146.05270	0.8
147.08029	0.4
147.11658	2.1
149.09613	1.2
149.13257	9.8
151.07437	0.4
151.11200	1.7
157.05022	0.6
158.10899	1.0
163.06047	0.9
163.14815	2.4
173.13278	5.3
191.14310	69.2
192.14665	1.6
209.15372	6.5
241.07043	1.4
259.09839	1.1
277.09195	1.3
289.53467	0.4
317.17517	0.6
324.29065	0.5
335.18741	0.4
486.24445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01872	0.6
55.05513	1.8
57.07080	0.8
59.02996	0.4
61.02909	0.8
65.03947	0.6
67.05503	2.2
69.03429	7.6
69.07071	2.2
69.21320	1.0
69.21710	0.6
71.04971	0.5
73.02921	0.5
77.03929	0.4
79.05495	6.3
81.03436	1.8
81.07056	7.8
83.04996	2.0
83.08620	1.0
85.02909	6.4
85.06545	0.5
87.04478	2.4
91.05484	4.7
93.07041	3.6
94.67846	0.4
95.04980	1.5
95.08605	2.3
96.80630	0.3
97.02895	3.1
97.06519	1.6
99.04462	0.6
100.41927	0.3
105.04514	0.3
105.07025	8.2
107.04958	3.3
107.08596	18.8
107.31273	0.3
109.02896	2.2
109.03522	0.3
109.06516	3.8
109.10154	5.8
112.31315	0.3
115.03938	6.7
115.05447	1.3
117.07065	1.9
118.07851	0.4
119.06026	0.6
119.08571	3.6
121.06512	1.8
121.10151	11.2
122.07298	4.5
123.08066	1.3
125.09613	0.3
127.03916	5.3
131.08566	2.0
133.05003	1.6
133.10132	100.0
134.10469	1.4
135.08055	7.9
135.11682	1.4
137.09619	51.0
138.09959	1.0
139.11171	0.4
143.08563	0.7
145.04968	3.6
145.10103	1.3
147.08020	0.3
147.11711	2.0
149.09621	1.1
149.12094	0.7
149.13260	9.8
151.11237	0.7
154.71608	0.3
158.10893	1.2
159.11742	0.5
163.05981	0.7
163.14835	2.0
169.52209	0.3
173.13251	6.1
191.14311	63.2
192.14664	1.3
201.16400	0.4
209.15379	5.5
215.06999	0.7
241.07083	0.9
259.09659	1.3
277.09186	0.8
335.18439	0.4
485.18719	0.4
485.26974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86713	0.6
53.03921	0.8
55.05516	3.7
57.07044	0.7
61.02900	1.6
66.41933	0.6
67.05474	3.1
68.18363	0.7
69.03432	11.2
69.07051	2.9
69.21532	1.8
69.21942	2.5
71.04971	1.1
73.47231	0.6
79.05487	7.1
81.03407	3.7
81.07058	9.2
83.01328	1.2
83.04958	2.4
83.08582	1.8
85.02903	12.7
85.06504	1.0
87.04452	2.8
91.05492	7.4
93.07030	6.1
95.04953	2.5
95.08616	3.6
97.02914	5.6
97.06538	3.9
99.04440	2.3
105.07020	7.7
107.04939	2.5
107.08598	19.7
109.02882	2.5
109.06529	6.7
109.10158	7.0
110.03578	0.7
111.04448	1.0
115.03952	5.9
115.05412	1.1
117.07021	1.8
119.08591	4.0
119.75933	0.9
121.06525	2.2
121.10146	11.7
122.07275	3.1
123.08074	3.1
123.11687	1.2
125.09614	1.2
127.03922	5.5
131.08562	3.2
133.04961	1.0
133.10133	100.0
134.10497	2.3
135.08069	12.9
135.11673	2.0
136.11238	2.6
137.09616	57.6
138.09982	0.9
139.07648	0.7
143.08522	1.4
145.04970	5.6
145.10173	2.4
147.11707	2.8
149.09641	2.6
149.13260	10.8
151.07549	0.7
151.11208	2.5
158.10959	1.0
159.11763	0.8
161.09630	0.9
162.12833	1.2
163.03925	2.1
163.06088	1.6
163.13512	0.7
163.14854	1.7
164.14337	1.0
165.12735	4.4
173.02338	1.0
173.13251	6.4
182.11766	0.7
191.14308	46.7
192.14662	1.1
196.97556	0.7
209.15375	19.7
215.07092	2.0
219.17432	1.6
259.09921	4.4
260.16592	2.1
261.16858	2.1
262.18146	1.8
263.18506	2.2
266.04086	0.7
277.09384	0.8
321.40854	0.7
387.23679	0.9
411.24155	1.1
484.27460	1.8
485.18771	1.7
485.27603	34.1
486.26169	0.9
487.24518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49014	0.5
55.05515	2.6
57.03439	1.3
57.07069	2.0
59.21299	0.5
65.03931	0.8
67.05506	3.7
69.03408	0.8
69.07070	3.3
69.21296	3.5
71.05003	0.7
79.05483	2.4
81.03403	0.8
81.07060	5.0
83.08615	1.6
85.06530	1.5
87.04467	1.1
91.05482	42.2
93.07049	1.9
95.08614	2.3
96.43417	0.5
97.10178	0.7
99.08094	0.6
104.06263	3.3
105.07044	8.8
109.10170	0.9
111.08113	1.2
117.07024	0.9
123.08064	0.6
124.96491	0.6
127.07562	1.0
133.10132	100.0
134.10468	1.5
147.08046	2.9
148.98619	0.5
148.99753	12.0
149.00966	0.7
149.09639	2.7
153.09093	0.6
171.10136	1.7
176.99265	0.6
189.11295	0.9
190.02422	0.8
215.19801	0.7
223.03410	0.9
337.27139	2.6
359.25537	0.8
367.24484	0.6
377.26553	1.3
485.11404	9.4
485.20395	2.3
485.26425	31.6
486.11505	1.3
486.26852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.5
55.42628	0.6
57.03181	0.8
57.03440	8.2
57.07078	25.7
63.45337	0.7
67.05503	5.4
68.11287	0.7
69.07065	5.0
69.16892	3.5
71.08636	18.3
75.66437	0.7
79.05472	0.8
80.97507	0.6
81.07070	7.4
83.08629	4.6
85.06531	0.7
85.10191	9.7
89.06051	1.6
93.07056	0.8
95.08608	11.5
97.10164	2.5
98.98467	2.8
99.11711	0.7
103.07560	1.5
109.10176	3.0
119.54325	0.7
123.11709	2.3
135.11687	0.7
137.13235	0.7
151.67168	0.7
155.01045	2.1
185.99648	0.7
225.05859	0.8
239.23750	1.2
257.24747	1.8
313.27374	100.0
314.27759	3.1
449.26489	1.8
484.46820	1.2
485.46512	0.8
499.95303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35415	0.6
55.05505	3.3
57.03433	7.7
57.07077	21.9
62.69626	0.6
64.66347	0.6
67.05504	6.5
69.07063	4.0
69.27304	3.2
71.08270	1.2
71.08632	16.1
81.07052	6.4
83.08621	5.2
85.10187	7.4
89.06033	1.8
91.05456	1.0
93.07039	0.7
93.38367	0.8
95.08604	9.6
96.79866	0.7
97.10168	1.9
98.98477	5.5
109.10163	4.2
123.11680	1.8
130.07204	0.6
133.10126	1.7
137.13261	0.7
148.99736	3.1
155.01024	2.9
202.79843	0.6
236.28316	0.6
239.23610	1.1
257.24738	1.6
313.27359	100.0
314.27713	2.6
367.78357	0.8
393.24075	0.9
449.26801	2.2
469.80487	0.7
485.27255	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04840	0.5
55.05496	0.9
57.03431	2.1
57.06820	0.7
57.07076	8.0
58.58835	0.5
67.05506	2.0
69.07066	1.2
69.82777	1.3
70.09338	0.4
71.08626	5.4
80.88653	0.5
81.07047	2.0
83.08607	1.5
85.10186	2.0
95.08622	2.9
97.10179	0.9
98.98468	1.2
103.07533	0.5
109.10151	1.7
133.10161	1.0
155.01059	0.5
249.07201	0.6
257.24750	0.7
313.27374	27.1
485.30859	100.0
486.31259	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37373	1.0
76.05688	0.2
83.12405	0.2
92.71644	0.3
105.04781	0.3
147.84373	0.2
204.26460	0.2
391.12717	0.2
398.27823	0.2
407.19119	0.2
411.26559	0.5
485.30862	100.0
486.31229	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91060	0.4
61.10994	0.5
69.75661	1.2
79.25272	0.4
98.22757	0.8
105.59327	0.4
146.57745	0.4
154.09778	0.4
165.54633	0.4
326.12628	0.5
485.30850	100.0
486.30988	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01862	3.7
55.05521	1.1
57.03436	1.5
61.02933	5.7
65.03943	1.8
67.05499	6.3
69.03430	34.7
69.07069	9.3
71.04988	3.4
73.02911	1.5
79.05505	5.8
81.03419	13.0
81.07040	2.3
83.04985	7.9
85.02905	21.6
89.03922	2.2
91.03963	6.2
93.03451	1.9
95.04974	7.4
95.08591	1.5
97.02892	25.8
97.06526	19.1
98.97581	1.8
99.04436	7.9
102.85532	1.5
105.07024	7.4
106.06361	1.3
107.04942	1.8
109.02880	38.4
111.04441	10.7
111.18408	1.1
115.03933	2.1
117.03359	2.4
119.08581	4.5
127.03912	36.0
129.05475	47.0
130.05785	1.4
133.10114	2.1
134.03583	2.2
135.04399	7.3
139.03874	11.5
141.29077	1.3
145.02852	8.2
145.04930	23.4
147.06502	4.6
157.04984	8.4
163.03899	65.6
167.03387	2.5
175.06021	1.7
175.14841	3.4
185.04459	29.5
193.07072	10.8
199.06116	1.9
203.05511	18.2
203.07240	1.9
213.09087	1.4
215.07083	3.4
215.10695	2.0
216.60538	1.3
217.05096	2.0
217.08710	1.6
231.10094	6.0
235.09674	1.2
237.72629	1.2
241.08652	3.5
245.06601	3.1
259.09653	100.0
260.10037	1.8
275.07681	3.9
277.10870	1.9
283.08069	1.5
311.07706	11.7
314.70877	1.2
329.08646	44.2
426.15921	1.5
433.14828	5.7
451.15784	4.6
486.18417	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	486.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39761	0.6
56.03239	0.7
56.94717	0.6
69.70705	1.3
70.06598	1.4
75.08508	0.5
84.08141	0.8
85.96818	0.6
86.09707	100.0
89.03929	1.9
107.04963	0.6
114.16785	0.7
117.03374	4.3
132.10204	74.8
135.04414	7.4
136.04683	0.7
145.02849	6.3
160.64452	0.6
163.03905	88.6
164.04318	0.7
171.10924	1.3
175.11853	0.9
189.11909	1.1
193.99841	0.6
197.08836	0.8
215.10004	3.2
222.63538	0.6
233.11009	1.4
286.16159	1.4
307.60587	0.7
314.93030	0.6
319.12604	1.1
328.18271	3.3
337.09723	0.7
346.19153	0.6
355.10251	1.5
372.99188	0.9
427.41849	0.7
486.18073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01881	0.9
55.05508	0.9
56.05030	2.6
67.05501	2.8
68.05035	2.1
69.03426	4.5
69.36799	1.4
69.37211	1.8
70.06584	1.6
71.05003	4.5
79.05495	2.1
80.05019	31.0
81.03403	0.8
81.07054	1.2
82.06585	1.2
83.04961	0.7
85.02894	1.5
91.05486	1.7
93.07051	1.9
94.06584	2.1
95.04971	17.7
95.08616	1.9
96.08136	1.8
97.02911	0.9
97.06549	0.8
98.06064	2.3
99.04446	2.7
105.07034	1.2
107.08611	1.1
109.10126	1.0
110.06078	0.6
111.08060	4.3
113.06003	4.6
115.03936	1.1
119.08569	0.8
119.38062	0.5
120.08096	5.2
121.06540	0.8
122.09705	1.3
123.04424	3.8
123.08051	1.8
127.03944	1.1
127.07533	0.7
131.08548	0.8
133.06500	0.7
137.06018	1.1
138.09142	15.8
138.10153	1.1
139.07613	1.1
141.05466	4.0
145.05057	0.7
148.07564	5.4
149.06059	0.7
150.09143	1.1
154.12292	1.3
156.10201	8.9
157.08621	0.6
163.03918	0.8
164.10873	0.7
166.08636	6.1
167.07008	0.7
168.10197	0.8
184.09709	16.4
186.11240	0.7
202.10733	16.2
215.06841	0.8
236.16399	0.7
259.09723	1.5
260.16556	0.6
260.20047	0.6
262.10812	1.3
262.14352	0.6
278.17697	0.9
302.13794	5.1
324.18024	1.0
346.16525	2.9
362.19308	1.3
386.19495	3.3
404.20648	7.0
414.19400	1.6
422.21350	0.9
428.22305	0.6
432.20160	3.8
450.15009	1.3
450.21277	24.4
456.22458	1.0
468.22299	100.0
469.22745	3.7
486.23132	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	486.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05499	0.5
56.05043	0.3
62.04096	0.3
67.05501	1.3
68.08308	0.3
69.03417	1.7
70.06594	2.5
70.71821	0.3
71.04993	1.7
73.38346	0.3
79.05508	1.0
80.05003	1.6
81.03422	0.4
81.07051	1.1
82.06588	0.8
83.04982	0.5
84.08132	0.5
85.02896	0.7
85.06539	0.7
86.09704	1.3
87.04501	0.3
88.09309	0.3
91.05496	1.0
93.07041	1.4
94.06585	1.0
95.04966	1.5
95.08608	1.2
96.08147	1.8
97.02899	0.5
97.06519	0.9
97.08921	0.8
98.06056	0.4
99.04428	0.4
105.07018	0.6
107.08580	0.6
108.08144	1.1
109.06536	0.5
109.08871	0.5
109.10163	0.8
110.09669	1.3
111.04444	0.4
111.08072	2.4
115.03934	0.3
119.08585	0.7
120.08099	0.8
121.10160	0.6
122.09667	1.0
123.08035	0.5
123.10423	0.5
124.07651	0.3
124.11237	0.9
125.00028	0.9
125.05980	0.6
127.03914	0.4
133.10147	0.6
134.09663	1.2
135.08092	0.4
136.07652	0.4
136.11220	2.9
137.06003	0.4
137.09613	0.4
138.09126	1.2
139.07552	0.7
141.09106	0.3
146.09625	0.4
148.11186	0.6
149.11974	0.3
150.09157	1.4
151.07559	0.4
152.10704	4.8
153.90352	0.3
154.12259	2.2
159.08086	0.4
160.11255	0.5
161.06012	0.5
161.09586	0.3
162.09027	0.4
162.11642	0.3
162.12756	2.0
164.10588	0.4
166.08656	0.3
166.12236	1.6
167.13074	0.6
168.10233	0.9
169.05060	0.3
170.11758	0.6
177.05850	0.3
177.09175	0.4
178.12357	0.5
180.13841	4.0
182.11691	1.6
184.07335	5.0
184.09738	1.1
184.13289	0.5
189.09114	0.4
190.12288	0.6
191.07065	0.7
193.08607	0.5
202.10771	0.8
204.13789	0.6
207.07681	0.8
208.07944	0.7
208.13356	1.7
213.09067	0.5
215.07068	0.9
216.13873	0.9
217.08795	0.3
220.13358	0.7
222.15100	0.5
232.13312	0.8
234.14917	2.4
235.09564	0.5
236.16501	5.3
248.12688	0.4
252.15971	0.8
254.17548	0.3
259.09659	1.2
262.14514	0.4
262.18054	0.8
270.21646	0.4
277.10669	0.7
278.17560	1.4
280.19116	0.4
290.17554	1.8
296.18594	1.2
306.17007	0.9
308.18542	3.9
318.16803	0.7
324.12671	0.5
324.17969	0.4
336.17947	0.5
368.17038	0.5
374.19449	0.7
388.21130	0.4
392.20596	3.1
394.18582	8.1
402.48199	0.4
406.22192	0.6
410.21606	0.4
424.23050	0.4
432.14844	0.5
436.19632	0.4
440.19022	0.5
450.21518	1.0
468.22321	28.9
469.22708	0.9
486.23322	100.0
487.23712	4.2
497.13223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01853	0.7
55.05495	0.3
56.05017	0.2
56.96553	0.3
57.03447	1.1
61.02935	1.5
63.62819	0.2
67.05495	0.7
68.05018	0.2
69.03436	5.7
69.69811	0.9
70.06596	2.6
71.01338	0.2
71.04975	0.7
73.02903	0.8
74.36422	0.2
74.99692	0.2
79.05474	0.9
80.05018	1.8
81.07055	1.9
83.04934	0.2
84.08134	1.6
85.02908	9.6
87.04462	1.4
91.03964	0.4
91.05449	0.4
93.07039	0.6
94.06541	0.8
95.04950	0.7
95.08572	0.3
96.08114	0.3
97.02892	3.3
98.22682	0.3
99.04432	1.2
101.02357	0.3
105.06995	0.4
108.08074	0.3
109.02888	1.5
109.06487	0.7
110.09686	0.5
111.08070	1.2
112.61768	0.2
115.03952	1.5
119.08552	0.3
120.08080	0.5
121.06516	0.5
122.09669	2.9
123.07985	0.3
124.11229	0.5
125.05994	0.4
127.03919	1.9
127.07554	1.3
127.84728	0.2
133.04980	0.4
133.57689	0.3
134.09615	0.5
136.11212	0.8
137.68576	0.2
142.86520	0.2
145.04958	1.2
150.09142	2.7
152.10721	1.4
154.12248	0.5
155.06966	0.2
162.12726	0.3
164.14322	0.7
167.51866	0.2
168.10190	2.1
175.11525	0.2
182.11772	11.8
184.09799	0.3
184.13388	0.3
194.11736	0.4
202.12233	0.4
207.01817	0.3
208.13387	0.5
220.13297	1.6
222.14870	0.5
234.14803	0.5
237.02895	0.3
250.14375	4.1
260.16190	0.3
262.17984	0.6
276.15964	1.2
277.09171	0.4
278.17587	0.6
280.19083	0.4
288.16058	0.3
294.16989	3.8
296.18460	0.3
306.17093	1.3
324.18048	100.0
325.18378	3.6
366.18967	0.5
370.05286	0.4
380.04074	0.2
426.17361	0.2
450.21115	0.6
468.22180	2.2
472.75290	0.3
486.23294	25.9
487.23666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10604	1.0
55.05520	3.8
67.05515	2.0
67.17185	0.9
69.03435	3.3
70.06599	2.2
71.45621	1.0
77.03966	1.5
79.05495	4.5
83.04975	2.1
85.02909	6.6
85.06535	1.2
86.09703	1.4
91.05485	3.4
93.07023	1.7
95.04966	3.1
95.08603	2.2
97.02878	1.5
99.04471	2.0
105.01869	1.1
105.07056	2.4
107.04954	83.3
107.08628	2.8
109.06528	2.9
111.04435	18.7
111.08062	1.5
113.06049	2.5
116.78838	1.1
117.06996	1.1
119.04990	1.7
119.08625	1.4
121.06513	2.9
121.10150	3.3
123.08076	10.7
125.06027	1.2
127.03864	2.3
131.04990	1.6
131.08586	1.7
133.06490	3.2
135.08078	3.5
136.08800	5.4
137.09625	15.5
141.07068	1.7
145.06491	4.1
147.08060	13.0
149.06017	2.6
149.09627	4.2
151.07597	1.8
153.09138	2.1
159.08058	39.5
161.09563	5.3
165.09120	27.5
167.36011	1.1
171.08078	1.9
181.06482	1.4
183.08067	1.6
183.11917	1.1
185.09647	1.3
193.10135	1.4
195.08018	2.3
196.08777	2.4
197.09573	1.7
203.10681	29.7
204.11223	1.2
209.09660	1.7
210.10422	1.8
211.11159	7.1
214.09753	1.3
221.11789	1.2
225.12746	5.4
229.12273	11.7
243.13809	49.4
253.12248	18.0
271.13287	100.0
272.13589	4.1
289.14371	10.5
406.22269	2.0
468.24988	2.1
486.25644	11.6
487.21323	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	486.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.4
69.03429	1.0
79.05511	0.8
81.03407	0.5
81.07055	1.0
85.02908	1.9
87.04446	0.4
91.05472	6.1
92.39156	0.3
93.07038	0.5
95.04940	0.4
97.02901	0.6
97.06555	0.5
98.97579	0.5
105.07034	2.0
107.08597	0.5
109.02872	0.6
115.03901	0.6
115.05513	0.3
117.07054	1.7
119.04928	5.4
119.08593	1.1
121.06497	3.8
127.03904	0.5
129.07019	0.8
131.08598	0.4
133.06488	16.0
133.10107	0.4
137.05969	2.1
139.81659	0.3
142.07788	2.3
145.04961	0.5
147.07927	0.4
147.11649	0.8
157.10121	13.7
157.11407	0.7
158.10432	0.4
160.08846	0.8
160.36133	0.3
175.11179	100.0
176.11499	2.3
220.55904	0.3
230.02563	0.3
259.09769	0.5
319.00824	0.3
486.17456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81631	0.2
55.01879	0.2
59.28935	0.2
65.03938	0.6
69.03438	0.4
70.14980	0.6
73.17920	0.3
79.05497	1.1
81.03413	0.5
81.07071	1.4
85.02892	2.2
91.05479	8.1
91.97397	0.3
93.07029	0.4
97.02903	0.5
98.22807	0.4
100.21249	0.3
103.05482	0.5
105.06995	2.6
109.02871	0.4
115.03947	2.2
115.05453	0.8
115.51415	0.3
117.07029	2.2
119.04937	6.6
119.08565	1.4
121.06509	4.2
127.03913	0.9
129.06989	1.1
129.67015	0.3
130.12637	0.2
133.05055	1.5
133.06487	21.1
133.10147	0.6
134.06833	0.4
137.05959	3.3
142.07787	2.1
145.04958	1.8
145.06439	0.3
145.10138	0.4
146.07207	0.3
147.08040	0.6
147.11681	0.9
153.49796	0.3
157.10126	15.3
160.08815	0.8
163.05988	0.3
175.11180	100.0
176.11517	1.6
178.70329	0.3
212.11044	0.3
259.08063	0.4
277.09158	2.1
290.05847	0.2
299.22031	0.3
323.27982	0.3
398.92831	0.3
410.79279	0.3
486.15723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39502	0.5
67.05501	1.4
69.03432	4.8
70.06226	0.9
70.06584	8.5
71.04997	2.8
71.58675	0.6
77.15636	0.6
79.51562	0.5
80.04942	0.6
82.34164	0.6
83.01329	0.7
83.07372	0.6
84.08128	1.7
85.06547	0.6
86.09718	2.6
91.05478	1.3
93.07039	1.0
95.04959	1.1
95.08611	0.9
96.08126	2.4
97.06519	1.0
97.08951	1.0
110.07190	1.0
110.09672	1.1
111.08080	12.6
122.09678	2.6
123.08080	1.1
124.11249	1.7
124.60896	0.6
127.03968	0.7
127.80720	0.7
129.10278	1.5
131.08583	0.7
132.10205	1.0
134.09659	1.1
136.11203	1.9
137.05991	0.6
139.07570	1.3
141.09039	0.7
150.09120	1.2
152.10689	1.6
153.05455	1.6
154.12230	0.7
155.07037	1.4
162.12863	1.0
163.03952	1.8
164.14359	4.0
170.11790	2.3
175.07571	0.8
180.10208	0.6
180.13847	2.0
182.11787	3.6
182.15346	1.2
184.13338	1.7
203.07043	0.6
206.44571	0.7
208.13344	0.8
208.17024	1.8
220.13364	0.8
234.14867	2.4
236.16553	1.7
252.15953	0.9
260.16425	1.7
269.07452	0.5
278.17584	1.6
292.19141	0.8
296.18701	1.7
308.18594	5.3
324.18051	0.9
326.19653	2.5
388.21210	1.2
394.18640	1.2
406.22195	2.6
424.23627	1.2
450.21304	3.7
467.77548	0.6
468.22256	15.6
469.22629	1.0
486.23337	100.0
487.23691	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	486.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.1
69.03432	8.7
69.07066	3.7
69.49152	12.3
70.06590	6.0
79.05485	8.0
81.07050	3.3
83.04977	3.5
84.08152	2.5
85.02907	5.8
86.09766	3.0
91.05483	5.0
93.07043	6.6
94.86679	2.3
95.04964	5.5
95.08585	5.0
97.02891	6.6
99.04404	2.6
107.04960	87.6
107.05684	5.2
109.06512	3.0
111.04444	20.4
111.08086	6.4
113.05991	2.8
117.07018	2.7
119.08546	4.3
121.06470	7.0
121.10055	2.9
122.09654	4.8
123.08096	12.3
125.05958	3.8
133.06532	2.7
135.08025	4.4
136.08876	3.6
137.09612	11.6
139.07541	3.8
145.06485	3.7
147.08073	15.3
149.06056	3.9
149.09610	13.5
150.09152	4.4
151.03899	6.7
151.07613	3.9
153.09113	3.5
159.08054	21.1
165.09134	29.4
171.08253	2.3
173.09630	3.0
177.09180	4.6
185.09642	4.5
195.10130	10.0
197.09541	3.1
210.14836	3.0
211.11130	9.5
220.13429	3.6
225.12744	4.0
229.12189	23.2
243.13826	54.6
253.12349	14.9
254.17470	3.6
258.18320	2.5
271.13297	100.0
272.13657	5.0
278.21170	4.3
279.21747	3.0
289.14328	22.5
313.20288	4.3
324.18066	4.1
400.91605	2.5
424.22833	4.8
442.24396	16.1
468.25534	10.1
486.26044	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2489
Annotation	Rostratamine
Peak:m/z	Relative Intensity
50.80990	0.6
50.98508	0.6
54.33567	0.6
55.05505	1.1
57.07054	0.7
67.05499	2.0
69.03440	4.6
69.07066	2.3
71.04984	1.3
73.02936	0.6
77.16408	0.6
79.05487	2.1
80.05027	0.7
81.03416	1.5
81.07052	1.1
82.06626	0.8
83.01360	0.7
83.04995	3.2
85.02893	3.1
86.09688	0.7
87.04472	1.3
91.05472	2.7
93.03391	1.0
93.07033	2.0
94.06562	1.5
95.04957	4.1
95.08576	1.3
96.05264	0.8
96.08144	1.2
97.02921	1.6
97.06537	10.9
98.97590	1.3
99.04437	1.1
100.34716	0.7
103.05480	0.7
105.07032	2.2
106.06561	1.3
108.08106	1.6
109.02921	1.2
109.06504	0.8
109.10172	2.9
111.04443	3.2
115.03941	2.4
118.06523	1.0
119.04918	1.0
119.08574	1.5
120.08100	6.9
121.06527	4.1
122.09679	2.1
123.08064	2.4
124.11163	0.8
126.12887	0.8
127.03925	2.8
129.05466	2.1
130.06526	0.8
133.06488	1.1
133.10092	0.8
134.09653	0.8
135.04482	0.9
135.08089	2.3
136.11226	1.3
137.05937	0.8
137.09637	2.6
138.12753	1.3
139.03920	2.3
143.82367	0.6
144.08092	0.8
145.04988	0.7
145.10179	0.8
146.06018	3.0
147.06490	2.8
147.07956	1.2
148.07579	2.6
149.05995	0.8
151.07571	1.6
152.10568	0.7
157.04958	1.2
157.10141	0.7
159.08047	0.8
160.11151	0.7
161.09641	0.9
162.09158	8.4
162.12808	10.2
163.03915	7.1
163.07542	0.9
164.14302	3.9
173.02385	2.2
173.09433	0.6
174.12772	1.3
175.07695	0.9
175.11157	0.7
176.14372	2.6
177.12691	0.8
179.07130	0.8
182.09502	0.6
186.12761	1.6
187.07561	0.9
188.10735	3.0
190.12334	1.1
191.07115	0.8
191.14397	1.0
192.06555	2.0
192.14738	1.4
193.07072	3.9
193.15915	2.8
204.13844	48.6
205.08633	1.5
205.14151	1.3
210.15686	1.3
210.20113	0.8
215.07060	4.1
231.10095	1.7
232.16910	3.2
235.06030	9.5
249.11293	0.8
253.07111	11.8
257.30688	0.7
258.15094	1.0
259.09692	20.2
260.10168	1.1
260.16449	6.6
261.11261	1.2
275.09149	1.6
277.10757	1.2
305.10205	4.0
317.16153	0.9
388.21231	2.5
450.22998	1.5
451.15891	1.3
468.23871	8.5
486.24850	100.0
487.25497	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	486.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.01865	8.0
55.05492	2.4
57.03432	6.0
57.07077	66.5
61.02922	2.7
63.67059	1.9
67.05493	5.5
69.03432	39.9
70.56146	3.4
71.04994	2.7
73.02924	3.9
79.05485	2.9
79.10894	2.0
81.03428	20.4
81.07045	2.3
84.08186	2.5
85.02905	63.7
86.09708	5.2
89.06034	3.4
91.05504	3.6
97.02903	31.7
97.06516	5.2
99.04459	6.5
100.11246	4.6
101.02379	5.2
107.04952	5.8
109.02887	21.3
109.10172	7.3
115.03941	2.9
127.03924	47.5
127.11203	39.1
135.11795	2.8
141.85400	3.0
145.04948	26.9
145.12247	6.5
180.08682	2.9
182.15427	2.6
210.14941	4.4
253.14301	4.0
254.17592	2.9
259.09723	9.7
267.10117	5.7
269.11731	5.5
271.15424	40.6
279.10162	4.6
281.11749	2.4
289.16461	100.0
290.17001	2.4
291.09949	2.4
346.84595	2.1
365.13556	2.7
428.99966	3.0
476.50385	2.5
486.15845	15.7
486.24319	2.3
487.18945	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	487.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01876	5.1
55.05510	3.7
57.03431	2.9
60.00618	1.0
61.02937	7.1
65.03934	1.9
67.05499	4.3
68.99799	9.1
69.03424	6.9
69.07057	3.7
69.24187	5.6
71.04995	2.2
73.02906	1.8
79.05485	6.6
81.03423	4.2
81.07069	6.4
83.04980	2.5
83.08623	2.2
85.02910	19.9
87.00835	11.2
87.04475	2.1
91.05485	44.9
93.07040	5.7
95.04983	4.8
95.08601	7.7
97.02897	16.6
97.06540	4.5
97.10176	1.1
99.04450	1.2
103.03958	4.8
103.05472	3.9
105.01887	2.6
105.04525	1.2
105.07040	9.3
107.04955	35.8
107.08601	5.5
109.02883	2.3
109.06527	4.1
109.10165	15.6
111.04438	2.3
115.03967	2.5
115.05463	8.8
117.07015	2.9
119.04948	18.9
119.08574	8.2
121.02869	1.5
121.06500	13.6
121.08356	1.0
121.10152	3.1
123.08094	3.4
123.11714	2.7
125.06046	1.2
127.03944	4.1
128.06239	2.8
129.01855	7.2
129.07014	10.0
131.04935	29.9
133.06502	3.2
133.10147	5.3
135.08073	3.1
135.11687	13.2
137.05981	5.6
137.09642	2.8
139.07544	3.8
141.06978	1.9
143.04945	4.5
145.05074	1.2
145.06453	8.4
147.02892	4.4
147.04297	1.1
147.11667	1.2
149.05942	2.8
149.07060	0.9
149.13226	2.3
151.07550	19.0
151.11136	1.5
151.14842	1.5
153.07048	1.9
157.06529	7.3
158.07251	1.3
159.02919	1.0
159.04413	2.5
159.08092	2.0
161.05991	4.3
161.13232	1.2
162.06789	1.7
163.07597	5.0
165.05641	1.5
165.06935	4.6
166.07790	3.0
167.08539	2.4
169.06499	3.2
170.07294	1.9
171.03008	1.3
171.08064	2.4
173.06012	3.6
174.06816	2.1
175.07556	17.9
175.14821	6.8
176.08365	1.6
177.07036	1.3
177.09129	5.0
178.07724	4.7
179.08574	3.3
181.06497	9.2
181.10019	1.4
182.07150	1.3
183.08121	2.1
185.05995	2.2
186.06760	1.5
187.07591	1.8
188.08365	3.6
189.03908	3.4
189.05467	1.5
189.07176	1.8
189.09077	13.7
191.07019	1.9
191.08618	2.6
191.10611	1.3
193.06544	2.9
193.15872	6.9
194.07262	7.9
195.07982	5.5
196.08858	3.7
197.05992	1.4
197.09540	1.5
199.07532	1.5
201.09119	6.9
202.07861	1.6
202.09932	1.1
203.07028	2.1
203.17966	1.7
205.06487	5.1
205.08586	5.9
206.07294	3.8
207.08003	4.6
208.08830	17.6
209.06064	5.8
209.09634	6.7
210.10535	1.5
211.07564	3.9
211.16898	14.1
212.08261	1.9
213.05505	1.2
213.09129	1.9
215.07115	2.6
216.09496	1.1
217.06572	1.7
217.08629	3.7
218.07217	6.4
219.08073	6.4
220.05232	2.6
220.08794	2.3
221.06012	7.2
221.09625	3.3
221.19006	4.3
222.06810	3.9
222.10320	1.1
223.07494	7.7
224.08334	18.8
225.09082	3.8
226.09900	3.1
227.07104	1.5
227.10657	1.8
228.07813	1.9
229.08517	2.3
231.08014	3.3
231.10146	2.4
232.08710	1.9
233.05989	9.1
233.07928	1.6
234.06671	5.0
235.07553	10.1
236.08313	3.9
237.05565	2.4
237.09137	12.4
238.09904	8.9
239.06940	2.4
239.10643	21.3
241.08620	3.7
241.12309	3.4
243.06396	1.5
243.10234	2.3
245.09625	2.6
246.06667	2.6
247.07527	6.5
247.09737	1.7
248.08301	23.6
249.05524	3.1
249.09071	5.2
250.06291	1.2
250.09860	5.0
251.06956	4.9
251.10716	6.4
252.07831	10.4
253.08481	1.9
253.12276	3.3
254.09393	5.1
255.08073	2.3
255.10271	4.2
256.11017	1.1
257.08160	2.1
257.11716	4.0
258.08969	2.9
259.07483	1.5
259.09708	7.0
260.10165	2.6
261.09164	6.4
262.09863	4.2
263.07034	3.1
263.10678	3.2
264.07831	12.3
264.11685	0.9
265.08588	10.1
266.09418	8.7
267.10162	100.0
268.10562	2.9
269.11725	63.7
270.12051	2.0
271.07410	2.0
271.09720	8.3
273.09143	3.0
274.09891	3.5
275.06989	1.8
275.10632	1.1
276.07819	5.8
277.08551	2.5
278.09412	13.3
279.10156	66.8
280.10797	4.6
281.11728	51.0
282.12125	1.5
283.09848	2.7
283.13309	1.7
287.10684	2.1
288.11542	2.4
289.08417	1.9
290.09366	4.0
291.10162	29.0
292.10669	2.6
293.11734	19.4
294.12061	1.6
295.13309	10.4
297.11462	2.3
298.09891	2.4
299.12686	1.7
301.08908	1.2
301.12320	1.7
303.10062	1.2
304.10919	4.2
305.11758	14.1
307.09393	2.2
307.13174	1.8
309.11264	3.2
309.14551	1.1
314.09338	1.6
316.11023	3.2
317.08276	1.3
317.11792	2.5
319.13287	13.5
321.11224	3.1
323.12802	24.6
329.11652	9.7
332.10446	2.4
335.12903	2.1
337.14352	5.1
347.12769	26.5
363.10730	4.5
365.13846	42.2
383.15021	6.1
433.12463	1.2
439.13654	1.2
451.13919	4.2
469.14722	3.9
487.15735	1.7
487.25034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01868	2.0
57.03448	1.8
57.25952	0.7
67.65701	0.8
68.04386	0.8
69.03427	13.9
70.06590	1.8
71.04988	6.0
80.05037	1.6
81.03413	16.3
81.07053	1.2
84.08112	0.8
85.02905	3.9
86.09703	3.1
95.04979	1.4
95.92276	0.9
96.08149	1.0
97.02892	1.2
98.96992	0.9
98.97579	2.0
99.04460	7.3
103.23534	0.9
104.10753	1.7
111.04425	1.4
111.08063	1.9
112.08405	1.1
117.05471	2.0
118.06561	3.1
125.00016	2.3
138.09129	1.5
145.04945	1.5
145.07596	4.4
147.07664	0.7
147.08095	0.9
147.09145	5.6
163.03923	2.2
173.07077	8.4
175.08707	7.4
184.07335	8.4
185.07648	0.8
191.08145	100.0
192.08658	1.8
202.10767	1.5
216.07396	1.5
245.13478	1.1
260.10031	1.2
289.11890	1.2
307.12866	29.0
307.16370	1.6
325.13928	88.6
326.14288	2.9
427.15787	0.9
429.65604	0.9
469.24686	3.0
486.25964	3.0
487.26495	18.1
488.22043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1943
Annotation	Rutaevin
Peak:m/z	Relative Intensity
69.09991	6.6
70.06561	1.3
76.34652	0.8
85.02937	1.0
89.39738	0.9
89.44389	0.9
98.97589	1.9
109.31583	0.8
110.97555	1.8
117.25168	0.9
127.31323	0.9
133.06534	1.8
134.06841	1.6
141.51591	0.8
157.10107	1.3
175.11177	9.0
176.11469	6.6
176.91837	0.8
177.23152	1.0
189.00745	1.3
203.14493	1.0
249.02892	1.1
275.67191	0.8
291.03796	1.2
323.40836	1.0
349.05270	7.4
487.19424	100.0
487.32343	19.4
488.20288	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	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.5
68.08509	0.4
69.03420	0.9
69.07065	0.6
77.06960	0.4
79.89053	0.4
81.03430	0.4
81.07057	0.6
85.02908	1.2
87.00805	0.4
91.05486	1.6
93.07018	0.4
95.08629	0.6
97.06532	1.0
98.55083	0.3
105.07068	0.4
109.02963	0.5
119.04929	1.8
127.03963	0.6
147.04422	4.0
161.55396	0.4
166.07852	0.4
185.04240	0.6
239.10786	0.5
239.16209	1.3
245.06371	0.5
267.10126	1.2
269.11731	0.7
271.04111	0.6
281.11578	0.7
289.05429	0.8
291.10248	0.7
313.16129	2.2
323.12830	0.8
355.17279	4.5
399.16367	2.7
401.21524	3.5
443.22513	13.7
487.21512	100.0
488.21832	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67268	1.2
55.05512	6.8
56.33215	1.3
57.07071	2.2
61.02914	1.5
67.05505	13.1
69.03432	8.4
69.07064	9.1
69.40634	5.7
71.04987	2.0
73.28524	1.1
79.05482	3.1
81.03419	3.2
81.07060	13.6
83.04971	9.2
83.08607	5.3
84.80357	1.1
85.02895	10.0
85.06540	2.7
86.09711	1.9
87.04463	4.3
91.05473	2.6
93.07050	6.4
95.08608	22.3
97.02886	4.1
97.06504	1.7
97.10205	1.9
99.08107	3.9
100.11277	2.0
103.27889	1.1
105.07030	5.0
107.08595	15.1
109.02886	2.6
109.06537	8.0
109.10158	79.7
109.40598	1.0
110.10505	1.9
111.08080	2.7
113.09602	1.8
115.03946	7.0
119.08582	28.5
121.10159	10.9
123.08078	9.7
123.11704	7.1
127.03918	3.8
133.10129	16.0
135.11693	75.1
136.12146	1.1
137.09636	13.6
140.49529	1.2
145.04987	4.2
149.13239	6.9
151.11156	7.0
151.14809	11.3
153.12779	2.0
165.16399	2.0
175.14830	35.4
193.15875	46.8
194.16318	2.2
211.16933	100.0
212.17339	2.5
349.11795	1.2
391.46332	1.1
501.04327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42450	1.5
53.03947	3.3
55.01867	4.4
55.05517	6.0
57.03434	4.2
57.07067	1.9
57.56856	1.5
59.43256	1.4
61.02926	5.2
65.48790	1.4
67.05506	17.6
68.99802	3.1
69.03440	18.2
69.07069	13.8
71.05005	4.8
73.02929	2.3
79.05492	5.6
81.03429	8.0
81.07063	22.9
83.04984	9.5
83.08634	5.6
85.02908	32.9
85.06545	4.7
87.00850	5.3
87.04478	7.1
91.05485	22.9
91.31342	1.7
93.07055	14.3
95.04987	6.1
95.08610	35.6
97.02892	14.7
97.06528	7.1
97.10182	3.0
98.22720	5.5
99.08078	3.2
100.10355	1.8
103.05467	5.7
105.07037	11.9
107.04976	18.9
107.08598	30.1
109.02885	5.0
109.06513	8.7
109.10164	99.5
111.08087	2.8
115.03944	8.8
115.05479	3.5
117.07019	2.2
119.04981	10.0
119.08583	44.8
121.06506	21.5
121.10146	12.3
123.08069	13.6
123.11688	10.7
125.09670	2.2
127.03924	12.5
127.11198	1.9
129.01862	3.0
129.07019	4.9
131.04926	12.4
133.04965	1.8
133.06516	1.6
133.10138	25.2
135.08092	3.3
135.11700	100.0
136.12100	2.6
137.06047	4.0
137.09616	16.3
137.13313	1.8
139.07503	1.4
139.11188	2.7
145.04982	6.9
145.06496	5.2
146.07101	1.7
147.02884	2.1
147.04382	2.8
147.11707	3.2
149.13326	8.3
151.07555	8.3
151.11215	9.8
151.14833	12.1
153.12782	4.5
157.06514	3.9
159.08046	2.3
161.05988	3.3
163.03931	2.9
163.07611	2.8
165.06912	2.2
165.16370	2.6
173.05991	2.0
175.07541	9.8
175.14833	42.4
179.08606	3.1
181.06509	4.0
181.10603	1.5
185.32018	1.6
188.08336	3.0
189.04074	1.9
189.09123	9.1
193.15903	76.4
194.07312	3.8
194.16148	2.3
195.07982	2.5
199.07574	2.0
201.09091	3.4
203.07054	2.9
203.10732	3.0
205.06651	3.1
205.08594	3.9
207.08014	2.1
208.08861	6.8
209.06027	4.8
209.09515	3.3
211.16937	74.9
214.18103	3.3
219.07986	2.9
221.06102	3.0
221.19017	5.2
223.07471	2.7
224.08308	6.5
225.09056	1.8
226.09700	1.9
231.08102	2.0
233.05959	5.8
235.07489	6.4
236.08167	2.4
237.09177	3.9
238.09758	3.7
239.10707	10.2
247.07475	3.5
248.08301	11.2
249.09128	5.1
250.09756	1.8
251.10643	5.5
252.07758	5.8
254.09502	2.5
256.08273	1.7
257.11707	2.1
259.09674	5.9
260.10059	7.1
261.09128	3.0
262.09747	2.6
264.07767	5.8
265.08661	6.7
266.09198	2.3
267.10190	48.9
268.10464	3.1
269.11755	30.7
276.07883	2.8
278.09485	5.7
279.10175	30.6
280.10635	2.7
281.11734	21.8
283.09863	2.3
290.09369	2.3
291.10269	12.6
293.11743	10.9
295.13412	5.6
297.14828	5.8
305.11798	6.8
319.13235	5.3
321.11121	2.1
323.12781	12.3
325.14386	13.0
329.11581	3.1
337.14325	2.8
347.12811	14.1
363.10712	2.2
365.13834	18.9
367.15326	4.2
383.14856	2.5
407.50598	1.9
487.20978	7.4
487.32855	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3061
Annotation	(+)-Tubelactomicin A
Peak:m/z	Relative Intensity
55.05503	6.7
56.63969	1.8
57.07062	3.0
61.92571	1.9
64.83032	2.1
67.01867	35.8
67.05498	7.8
69.07071	9.7
71.08628	2.4
79.05505	5.2
81.07045	8.0
83.08608	4.0
84.04439	2.0
87.04472	5.6
91.05473	5.7
93.07051	5.1
95.04945	2.3
95.08601	15.5
97.10139	2.0
98.23537	3.6
103.32480	1.9
105.07025	10.6
107.08586	9.8
109.10141	5.7
111.04460	2.7
113.02371	35.3
119.08595	13.8
121.02821	3.1
121.10138	5.5
123.04410	3.6
123.11674	2.5
125.02367	2.4
129.83539	2.3
131.03407	38.4
131.08545	4.6
133.06389	2.1
133.10130	22.4
134.10471	3.7
135.04425	6.7
135.11694	4.0
139.03821	2.0
143.03441	2.3
145.10112	4.3
147.11697	12.9
149.02325	2.9
149.13229	2.4
151.03883	8.9
153.05537	3.1
157.10178	3.0
159.11694	4.8
161.13257	3.0
163.22197	2.1
165.01843	5.3
167.03366	3.7
173.13287	2.7
177.16487	2.2
179.03378	41.2
181.04948	4.9
183.02904	10.7
187.07648	2.5
189.09068	4.9
189.16429	3.7
197.04465	27.0
199.06029	3.2
201.09068	2.7
201.16412	3.7
203.17924	4.8
211.06009	46.6
213.07500	2.7
223.09633	2.5
225.07553	3.0
239.09210	4.3
251.09175	3.7
253.10669	5.7
265.10760	3.9
267.12286	6.8
279.12363	3.3
291.12201	4.0
305.13855	3.6
307.15207	3.6
315.27881	3.0
317.13818	3.0
373.20316	2.5
377.24774	3.9
381.21152	2.6
387.21808	4.0
401.23016	2.5
423.25269	3.0
437.26791	13.7
451.28256	2.0
469.29474	100.0
470.29871	4.9
483.83353	2.2
487.29584	4.4
487.36838	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	487.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01851	3.2
55.05511	71.3
57.03437	39.8
57.07076	61.5
67.05164	5.2
67.05505	76.0
69.07066	95.5
69.07449	4.6
69.77734	4.1
69.78119	5.3
71.04982	3.6
71.08625	36.2
73.06557	2.5
75.04473	8.9
79.05091	3.4
79.05497	28.8
81.07055	98.8
83.04960	6.6
83.08616	73.2
85.06519	5.0
85.10173	18.5
91.05450	5.8
93.07039	39.3
95.08604	97.2
97.06527	21.0
97.10170	50.6
99.08098	7.2
104.93879	2.3
105.04469	3.1
105.07021	4.4
107.08583	30.5
109.10146	46.3
111.08076	13.3
111.11717	12.3
113.06011	3.8
115.07585	2.9
121.10139	39.2
123.11702	20.4
125.09623	10.8
131.07045	6.7
133.10191	2.4
135.11678	32.8
137.13252	7.6
139.11183	8.0
143.10718	2.9
149.13266	20.1
153.12752	7.6
163.14839	10.2
167.14355	4.1
177.16345	6.0
181.15872	4.5
185.15306	4.5
191.18045	5.3
195.17479	2.3
199.16866	2.7
200.76047	2.5
213.18500	2.8
221.18953	3.6
223.20599	3.2
237.22246	2.6
252.93350	2.4
275.27420	10.2
293.28333	18.3
303.26801	13.6
321.27881	24.2
339.29102	7.1
357.29956	100.0
357.34436	5.4
358.30414	3.1
395.31528	50.1
413.32596	76.0
469.35324	37.0
470.18060	2.6
487.36304	82.0
488.36655	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	487.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37510	0.7
53.03941	2.1
55.01871	2.8
55.05512	54.3
57.03437	29.6
57.03727	1.1
57.07078	41.6
59.04986	1.8
65.03942	1.5
67.05505	67.1
69.03439	1.5
69.07069	74.3
69.65246	3.1
71.04988	4.0
71.08634	30.8
71.08961	0.5
71.09038	1.1
72.83448	0.8
73.06564	2.6
74.92744	0.7
75.04484	8.0
79.05492	26.6
81.07057	85.3
83.04993	5.8
83.08620	59.6
85.06544	3.7
85.10181	15.0
86.14553	0.8
91.05474	5.5
93.07043	34.6
95.08607	78.0
96.08963	1.1
97.06532	18.3
97.07118	1.5
97.10170	41.3
99.08088	3.7
99.11726	1.6
101.06021	2.7
105.07029	3.2
107.08591	26.8
109.10162	39.9
111.08090	12.0
111.11723	12.4
113.06036	1.8
113.09650	1.1
113.13351	0.9
115.07568	3.4
117.07040	0.9
119.08589	2.8
121.10140	37.8
123.11711	16.5
125.09621	10.2
125.13281	2.5
127.11183	0.9
129.09106	3.2
131.07030	3.1
131.08592	0.9
133.10147	3.4
135.11696	28.9
137.13226	6.4
139.11166	9.2
143.10666	3.3
147.11691	2.0
149.13254	15.6
151.14828	1.7
153.12752	7.9
157.12267	3.0
161.13239	1.2
163.14828	9.0
165.12843	1.1
167.14345	4.4
171.13826	2.4
175.14833	1.5
177.16344	5.1
179.18047	1.3
181.15894	2.4
185.15466	1.9
189.16368	1.2
191.17937	2.8
193.19571	0.9
195.17491	3.2
199.16930	1.5
205.19530	2.2
207.17520	1.4
209.19022	3.6
213.18445	1.4
219.21127	1.8
221.19070	1.4
223.20625	2.2
227.20073	1.1
237.22272	1.1
241.21675	1.4
251.23863	1.0
275.27289	8.7
285.25760	2.4
293.28372	17.1
293.75635	0.9
303.26807	10.8
311.29327	0.9
321.27875	22.9
321.31543	1.4
339.28830	5.5
357.29974	100.0
358.30386	3.2
395.31564	54.2
396.31848	1.7
413.32602	70.9
414.32916	2.5
469.35199	22.2
487.36292	91.7
488.36520	2.2
509.91760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01873	2.1
55.02308	0.4
55.05511	22.3
56.28398	0.4
57.03439	5.3
57.07075	100.0
58.07413	0.8
59.05003	1.3
59.45909	0.5
62.86271	0.4
63.11214	0.4
67.05502	15.5
69.03439	1.0
69.07067	6.4
69.77468	0.7
69.77821	1.8
71.08635	0.7
74.42196	0.5
79.05482	7.1
81.07050	9.3
81.07497	0.7
83.04984	1.7
83.08614	7.3
85.06548	0.7
87.04478	0.6
89.06046	1.7
93.07023	1.0
95.07671	0.5
95.08626	1.3
97.10170	16.7
103.07595	0.7
107.08585	5.0
109.10160	9.5
121.10108	0.6
125.09633	11.3
127.11190	30.0
142.46577	0.5
143.10719	2.1
145.12276	2.2
148.99744	8.7
195.68253	0.5
199.13326	5.7
201.14839	22.5
232.10719	0.5
325.23718	33.5
326.24078	1.1
327.25284	50.8
328.25778	1.2
339.28979	2.1
343.24768	9.6
427.45850	0.5
469.35150	1.1
487.28110	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	488.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01874	3.4
55.05503	2.0
56.85818	0.9
57.03434	5.2
59.05012	1.3
61.02921	9.2
67.05502	3.9
69.03065	1.8
69.03432	30.1
69.03805	1.6
69.07061	1.2
69.40986	3.3
71.04993	3.8
73.02921	9.9
79.05500	1.9
81.03422	20.8
81.07082	1.4
83.04990	4.0
85.02908	100.0
86.03235	1.7
87.04469	24.3
91.03949	7.0
91.05475	1.5
93.07064	1.4
95.04966	4.8
95.08576	1.8
96.05307	2.0
97.02896	34.0
98.15696	0.8
99.04446	6.4
99.08097	1.3
103.03959	2.8
105.07134	0.9
108.04513	1.8
109.02883	15.1
109.06524	1.2
109.10168	12.4
110.10495	5.4
115.03934	88.2
116.04279	2.0
117.03401	2.9
120.08132	1.0
127.03922	59.2
128.04253	2.0
133.04971	31.1
133.05920	1.8
134.09616	1.2
137.05940	1.0
137.09602	11.3
138.09947	5.5
145.03017	8.5
145.04962	77.2
146.05344	1.4
149.05907	1.0
157.04997	1.2
163.03947	1.4
163.06032	11.4
166.72998	0.9
175.06099	1.2
177.05467	24.2
179.10692	1.0
187.05975	1.9
193.15907	13.2
194.16225	13.1
195.06583	2.5
201.81744	1.1
204.13779	1.3
205.14218	1.5
212.17223	2.6
219.22888	0.9
234.14818	1.2
236.17413	1.1
241.07060	2.7
259.08133	18.6
277.09183	20.5
278.09393	1.2
278.12070	1.6
285.07352	1.2
453.13791	1.7
488.26151	11.6
489.19891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26166	0.5
53.03942	3.2
55.01876	3.2
57.03436	6.3
61.02922	8.9
69.03429	30.4
69.11354	3.6
70.03735	0.6
70.06586	1.4
71.01347	0.7
71.04984	3.3
72.08160	1.5
73.02918	9.0
81.03420	22.5
83.01309	0.7
84.08136	1.0
85.02904	100.0
86.09711	1.9
87.04466	20.0
89.03905	0.8
91.03960	7.3
97.02892	37.2
98.23415	1.2
99.04462	7.0
99.27658	0.5
101.02380	1.3
108.04485	1.4
109.02881	16.0
115.03931	62.5
117.03383	3.3
122.21107	0.6
124.57916	0.6
127.03915	50.7
128.04250	0.9
131.04958	0.6
133.04965	21.9
136.11227	0.6
145.03052	7.6
145.04956	70.8
146.05276	0.7
148.63614	0.6
149.06012	1.3
153.05472	0.8
156.06551	0.6
159.08090	0.7
163.06023	6.1
163.07410	0.8
177.05464	19.8
181.07103	0.8
187.06038	1.4
187.07571	3.5
192.28731	0.6
195.06512	4.7
205.08678	0.7
241.06958	2.7
259.08142	18.1
277.09192	8.2
292.19189	1.2
335.08813	0.6
361.17599	2.4
428.17172	1.0
446.18124	0.8
453.14182	1.2
487.44620	0.6
488.08984	3.7
488.19638	0.7
488.26474	2.3
489.22430	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	488.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64069	0.9
53.03939	3.8
55.01849	2.4
57.03435	4.0
58.55935	1.1
61.02932	9.1
69.03063	2.2
69.03428	34.4
70.06593	3.0
71.04987	3.7
71.58416	1.0
73.02914	8.8
80.05022	1.3
81.03416	18.2
83.04966	1.2
84.04487	1.4
84.08151	1.5
85.02905	99.2
87.04469	23.9
88.07387	1.3
91.03964	6.9
97.02896	35.7
98.97578	1.5
99.04444	7.3
103.03959	1.4
105.01884	1.5
107.04975	1.2
109.02878	17.3
110.92328	1.0
111.08071	3.5
115.03931	100.0
123.08056	2.9
127.03915	57.1
129.10229	2.0
133.03957	2.4
133.04968	48.6
145.04964	61.3
149.09695	2.5
150.09071	1.0
157.05042	1.2
157.08582	1.2
163.03963	1.5
163.06030	10.1
168.10213	1.6
175.06056	1.7
190.58549	1.0
195.79668	1.1
241.06992	5.1
259.08099	16.9
277.09192	48.0
278.09750	1.3
308.18628	2.3
325.11276	1.4
364.21255	3.2
470.23380	4.6
474.83929	1.1
488.17688	3.8
488.24573	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45808	2.6
64.54190	2.1
69.03425	6.7
70.06598	6.6
71.04977	3.4
71.20966	3.2
72.08175	2.3
81.03419	4.2
84.08134	2.8
85.02885	11.0
86.09689	13.2
94.06568	2.9
95.27938	2.4
97.02887	13.1
105.07018	2.5
115.03905	11.5
127.03885	4.8
132.96471	2.3
133.04971	2.7
134.09584	2.2
145.04930	6.3
146.05948	4.0
147.06485	2.7
176.81772	2.4
177.05440	3.1
178.83054	2.3
182.11781	4.9
193.81871	2.3
198.85353	2.3
456.17761	4.1
470.25043	4.7
488.20203	35.8
488.26334	100.0
489.26636	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	488.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53406	1.8
54.95460	1.7
55.01863	3.7
57.03436	22.3
59.04997	6.2
60.04517	2.9
69.03429	94.9
69.07067	17.3
70.06590	3.8
75.04488	3.9
85.02906	57.6
87.04467	63.5
90.86561	2.1
91.05513	2.4
93.07051	2.5
95.04971	2.7
95.08619	3.2
97.02894	75.7
99.04460	2.0
105.07040	3.3
107.08618	2.2
115.03928	98.0
121.06499	43.6
123.04449	5.9
127.03928	6.2
131.08525	3.7
133.04967	100.0
133.06546	6.1
135.08086	3.4
136.11252	2.1
136.82651	2.3
137.05981	2.6
145.04988	9.2
145.06470	4.7
150.07614	22.1
153.09052	2.1
159.08064	3.8
163.06268	3.0
163.07487	12.7
169.04994	2.3
173.09607	3.0
175.11209	7.1
177.12744	24.6
187.07576	3.7
187.11159	4.8
189.12698	5.1
195.39088	2.7
205.08788	2.4
217.08647	7.8
219.13762	5.1
229.27266	1.9
241.07072	3.2
243.13780	2.9
273.14978	3.8
295.10547	2.5
305.07794	17.2
369.16159	2.5
429.42883	2.0
444.19443	2.8
470.17896	2.4
470.25259	6.0
488.19257	37.1
488.26370	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	489.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.4
68.99833	4.4
69.03442	11.0
69.60680	3.6
69.61004	19.1
69.72210	3.9
70.06580	4.8
80.05030	4.5
81.03400	4.8
81.07044	4.4
85.02896	11.3
91.05451	6.9
94.06589	6.6
97.02921	6.9
98.23527	4.9
105.07061	4.5
109.02792	4.1
120.88847	4.3
122.09678	17.7
127.03928	11.1
136.25696	3.8
137.05957	9.7
147.74066	3.9
150.09155	19.2
151.11200	6.8
163.07437	4.7
168.10219	16.6
168.25864	4.1
237.02882	5.0
241.08591	10.0
241.12187	25.6
248.16518	8.9
293.21164	10.2
319.17325	5.9
322.20129	30.7
344.04599	3.7
368.18427	29.9
468.96713	4.0
489.16028	72.1
489.29453	13.1
489.34515	100.0
490.16187	6.9
492.55957	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	489.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96204	0.7
69.37897	1.7
69.38296	2.5
77.62817	0.7
79.38665	0.7
79.90020	0.6
88.75721	0.8
91.05509	0.9
93.95535	0.7
98.23510	0.8
110.29459	0.7
118.20645	1.0
147.04442	0.8
151.04358	0.7
317.20853	1.3
359.14029	8.5
387.13580	1.0
415.13007	2.4
471.19638	2.3
489.20340	100.0
490.20438	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	489.238
Annotation	Cytochalasin Z
Peak:m/z	Relative Intensity
55.05502	4.1
56.96582	2.9
57.07051	2.9
67.05507	3.7
69.07072	5.0
70.62284	2.4
70.62617	4.4
80.51728	2.1
81.07085	3.1
83.08604	4.5
93.07006	2.0
95.08631	3.2
97.10175	3.2
106.81174	2.1
134.61560	2.5
135.11658	2.0
136.93135	3.4
141.19060	2.8
150.94383	5.5
150.95586	100.0
154.94142	4.3
168.95757	14.0
186.96819	21.1
204.97855	5.7
228.97780	2.9
242.99507	5.0
339.22159	4.8
339.28949	13.7
395.61465	2.5
397.30075	2.5
475.21320	12.2
489.23752	59.0
489.30902	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	489.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01874	2.8
55.05511	8.3
56.96555	0.8
57.03446	3.3
57.07070	1.8
61.02929	2.9
67.05512	4.4
69.03435	18.9
69.07071	10.8
71.04998	4.0
73.02943	3.3
79.03999	0.6
79.05491	6.2
81.03418	8.4
81.07058	14.9
82.97198	0.5
83.08629	7.4
85.02909	48.9
85.06547	2.3
87.04472	20.9
91.03944	1.8
91.05477	3.9
93.07050	12.0
95.04971	1.2
95.08607	29.9
97.02896	12.9
97.06506	1.4
97.10171	5.6
99.04435	3.2
99.08090	12.7
101.02361	0.9
102.12817	0.9
103.03954	1.1
105.07044	5.1
106.96354	0.6
107.08597	29.7
109.02879	8.1
109.06548	0.8
109.10163	6.9
111.08092	5.9
111.11716	0.6
113.09651	1.2
115.03936	83.2
117.07021	0.7
119.08575	2.6
120.27986	0.7
121.10149	47.0
123.11717	3.1
125.09631	6.4
127.03926	23.6
129.07002	0.8
131.08586	0.8
133.04974	23.1
133.10106	1.5
135.10672	0.5
135.11688	11.1
137.05977	2.0
137.13264	4.8
142.58672	0.6
143.08546	0.7
145.04964	24.5
149.13255	3.9
157.04990	0.7
157.10182	0.7
161.13261	0.7
163.06035	5.0
175.14854	0.7
177.16388	100.0
178.16818	1.6
179.06982	1.4
187.41951	0.8
188.38852	0.7
189.09048	1.0
195.15680	1.3
195.17453	20.0
199.11115	1.0
203.07053	0.8
213.18492	22.3
219.06560	0.9
223.11148	0.8
259.08139	6.5
277.09201	10.3
303.19577	0.9
333.06320	0.9
360.56937	0.6
418.00967	0.6
489.11450	0.7
489.20508	2.1
489.34177	0.7
497.09506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73548	0.8
74.09721	100.0
75.10023	0.5
86.79443	0.3
135.73650	0.3
136.11240	0.4
162.12917	0.6
174.12828	0.9
288.16132	0.9
289.16766	0.7
342.17007	0.9
398.19769	0.7
409.33487	0.4
416.20679	18.8
417.21066	1.0
461.49942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3167
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
64.08760	0.5
69.53967	0.5
69.54305	1.8
73.37344	0.5
73.64842	0.5
91.05489	2.1
92.05817	1.9
104.99268	0.5
124.63038	0.4
132.65637	0.5
133.10124	4.4
134.10434	4.3
135.10814	1.8
137.01833	3.0
186.84872	0.5
340.23694	0.5
340.63522	0.6
344.14917	0.5
397.26886	4.0
415.27902	10.0
471.30963	1.0
489.31607	100.0
490.32104	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3193
Annotation	Cilistol f
Peak:m/z	Relative Intensity
50.51307	0.7
58.06596	1.4
59.07406	0.7
64.25504	0.7
64.59354	0.6
67.05495	1.6
69.07066	0.9
69.42896	0.9
69.43229	3.5
79.05499	0.9
81.07043	1.8
88.79414	0.8
91.05478	1.7
93.07037	1.2
95.08604	1.8
105.07016	0.9
129.06967	0.9
147.59389	0.7
236.14893	3.0
237.15225	1.4
333.51306	0.8
364.51633	0.8
381.60144	0.8
489.31760	100.0
490.32333	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	489.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53114	1.1
69.53465	2.7
91.16698	0.7
93.07061	1.1
95.08609	0.8
96.57467	0.7
98.23462	1.0
105.30779	0.7
108.83064	0.7
120.96608	0.7
123.66257	0.8
134.57121	0.6
147.46593	0.8
162.23146	0.7
169.10002	0.7
195.09895	1.0
282.66336	0.9
317.20871	4.2
434.41803	0.9
467.84305	0.8
489.31863	100.0
490.32196	5.1
490.74698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69554	2.1
55.05511	20.4
57.03180	3.8
57.03443	49.2
57.07078	7.6
57.63072	2.3
59.04982	2.0
61.02927	10.2
67.05508	33.4
69.07077	34.2
69.20178	11.4
75.04472	2.6
79.05492	14.8
81.07061	43.0
83.08624	31.9
91.05502	7.8
93.07063	19.9
95.08617	38.5
97.06544	5.3
97.10182	24.3
98.18237	2.1
98.22718	5.0
99.08102	2.4
105.07035	4.7
107.08601	12.5
109.10172	17.3
111.11720	6.2
117.05499	100.0
119.08561	4.1
121.10152	19.0
123.11687	6.7
133.10162	6.1
135.11700	10.7
147.11732	5.1
149.13258	6.1
161.13257	2.9
163.14856	2.9
165.12796	2.8
175.14828	3.4
180.33000	2.4
197.38542	2.2
223.35222	2.2
244.99443	2.1
245.22655	4.4
259.24179	3.7
261.42035	2.3
263.23740	4.0
277.25278	5.3
278.39142	2.2
281.24817	4.8
286.72205	2.3
305.24780	23.7
306.24771	2.1
323.25983	3.5
341.26981	5.8
353.30490	2.6
355.28455	84.1
356.28741	3.5
379.28433	7.4
397.29495	22.2
397.78308	2.2
453.32019	3.4
471.33273	10.3
489.34128	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	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.17823	0.8
53.03943	1.9
55.01871	2.1
55.05512	15.9
57.03431	3.3
57.07072	3.1
63.97390	0.8
65.03935	2.0
65.25625	0.7
65.34286	0.8
67.05505	32.9
69.07070	10.6
70.66496	0.7
71.04996	1.5
75.24513	0.8
79.05497	19.4
81.07058	26.9
82.49381	0.9
83.04986	1.5
83.08625	7.8
85.06570	2.1
88.82771	0.9
91.05485	19.8
92.79350	0.9
93.07048	21.4
95.04977	2.4
95.08605	21.0
95.09212	1.0
97.06537	2.4
97.10153	4.8
105.07034	25.6
107.08591	12.2
109.06514	1.2
109.10168	11.7
115.05466	1.1
117.07009	8.6
119.08585	36.2
121.10151	10.1
123.08072	1.8
123.11711	1.7
125.09636	2.1
128.06238	1.3
129.06984	6.6
131.08565	17.6
133.10135	13.0
135.01363	0.8
135.08057	1.4
135.11703	2.5
137.09642	2.4
137.13239	0.9
141.07027	2.3
143.08572	8.8
145.10138	18.0
146.82129	0.9
147.11679	9.0
149.09688	1.2
149.13295	2.4
155.08531	4.0
157.10126	6.7
159.11696	9.9
161.13252	8.2
163.11252	0.9
163.14862	1.3
169.10118	4.5
171.11685	7.1
173.11826	1.9
173.13307	7.1
175.14806	4.1
181.10059	0.9
183.11687	5.9
185.13228	6.4
187.14732	4.7
189.16400	1.2
195.11728	1.7
197.13277	5.2
199.14778	5.4
201.16405	2.8
203.17947	1.0
209.13338	2.3
211.14908	3.5
213.16417	2.9
215.14348	1.0
215.17957	1.2
223.15009	1.0
225.16481	2.1
227.17929	1.5
239.17957	1.1
241.19611	1.7
243.21159	1.5
253.19513	1.9
255.21263	2.0
259.20651	1.5
261.22098	2.3
267.21207	1.8
271.20584	1.9
273.22360	1.9
285.22238	2.8
289.21689	1.0
291.21030	1.1
295.20728	0.9
299.23682	1.4
303.23175	1.9
309.22153	1.7
311.23651	0.9
313.25394	1.2
315.23108	1.3
317.24774	1.8
377.26941	3.8
379.29962	14.3
391.28552	2.8
397.31036	19.8
399.32602	1.2
415.32114	3.9
433.33456	1.4
453.33655	2.2
471.34766	15.7
489.35803	100.0
490.35904	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	490.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01865	1.0
55.05511	1.2
57.03432	1.3
61.42633	0.8
63.80105	1.0
67.05496	1.2
69.03436	14.6
71.05000	4.3
77.19298	0.7
79.05487	1.3
80.05004	2.8
81.03405	2.5
81.07053	1.7
83.04973	0.9
85.02909	5.8
89.06032	13.4
91.05473	11.4
93.07038	2.9
94.06570	5.1
95.04988	1.0
95.08589	1.2
96.08137	0.8
97.02889	6.3
98.23418	2.7
99.04451	8.9
103.05414	0.9
105.07020	6.6
106.06573	5.3
107.05025	1.1
107.08599	2.0
108.08106	2.4
109.02895	2.5
110.09763	1.0
111.04431	1.4
111.49622	0.8
115.03895	1.4
115.05424	1.8
116.06248	1.8
117.06986	2.6
119.04923	1.6
119.08595	4.6
120.08122	2.7
121.06483	3.1
122.09697	4.5
127.03896	4.5
128.06219	2.5
129.06973	2.3
131.04901	1.6
131.08568	16.6
132.08095	2.9
133.06494	1.2
133.10150	1.8
134.06006	1.1
134.09636	3.9
135.04413	2.6
135.06523	1.7
135.08038	2.8
136.07622	1.2
136.11247	1.3
137.05940	1.9
137.25778	0.9
138.09120	1.8
141.06963	2.1
143.08539	1.9
144.02086	2.6
144.05716	1.4
145.02829	2.0
145.04948	3.9
145.06485	3.8
147.04424	6.3
148.07565	8.1
149.05989	3.2
149.09631	6.4
150.09132	10.1
151.07535	2.6
154.08617	3.3
159.08060	16.3
160.07628	1.2
160.08858	2.1
161.05989	5.3
161.09659	2.9
162.09145	4.4
163.07544	2.0
164.07071	1.3
165.09012	1.2
166.08644	12.9
168.10234	1.4
177.05486	6.8
178.08623	1.4
179.07059	3.6
180.10214	6.6
182.08130	1.2
187.07526	10.5
188.08348	1.1
189.09142	1.0
189.12793	2.6
191.07162	1.2
191.10657	2.1
192.10211	2.8
194.11719	4.6
196.09669	1.3
196.13412	1.0
197.08084	4.4
203.10663	3.2
204.10121	4.2
205.08650	1.3
206.11734	0.9
207.06523	1.3
207.13818	2.2
210.11240	2.8
213.07390	1.0
215.07048	5.0
219.10158	18.8
226.10764	5.2
238.10742	57.3
239.10995	1.3
240.12273	3.6
247.09644	12.3
254.13869	4.4
261.09592	1.3
265.10883	0.8
266.13785	1.9
366.17157	1.4
368.18576	1.0
384.14383	2.3
394.16583	1.3
412.17380	2.6
416.16980	2.8
428.20718	5.6
430.18701	13.3
454.18695	9.0
470.99658	0.9
472.19684	29.4
473.19772	1.8
478.18295	1.1
490.20636	100.0
491.20981	6.0
491.28088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
57.03434	24.4
59.04991	5.7
60.04516	2.7
61.00339	1.1
61.02925	1.6
67.05488	1.9
69.03425	80.2
69.07066	13.7
70.06577	2.1
70.65590	2.0
73.02911	2.8
75.04447	1.0
81.03423	2.9
81.07050	1.7
85.02901	59.7
87.04465	58.5
93.07040	1.7
95.04977	1.6
95.08617	1.6
96.08114	2.0
97.02888	61.8
99.04435	1.1
107.04938	2.8
108.08064	1.2
108.83835	1.1
109.02825	2.4
109.06538	2.1
110.09708	1.2
115.03924	89.8
119.08601	1.1
120.85063	1.2
121.06506	1.9
122.09669	2.1
123.04417	20.4
124.11298	1.6
127.03904	7.3
133.04959	100.0
135.04398	2.9
136.11201	7.0
137.06021	3.3
139.03925	1.2
145.04965	9.5
145.06021	1.4
147.04396	5.7
149.05966	1.6
150.07602	20.1
161.06012	1.9
161.09647	1.9
162.12747	2.0
163.06009	1.6
165.05469	6.5
169.05016	1.5
173.05948	2.2
175.07530	1.8
178.05255	1.4
179.10648	14.7
180.08618	2.4
189.05489	3.5
189.09085	1.9
203.10655	5.4
205.06955	1.4
215.10690	4.3
219.06555	2.9
221.11734	4.4
223.06068	1.7
236.16472	2.3
241.07111	3.0
245.11795	2.9
257.11584	6.5
259.08206	5.2
264.19745	1.2
273.05621	1.1
275.12808	5.2
276.19647	3.0
277.09140	1.8
278.21039	1.5
288.19623	1.1
295.10239	2.3
305.13712	1.2
398.23203	7.2
472.26889	17.5
490.27963	74.2
491.28192	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02409	0.8
53.03944	1.7
55.01860	1.3
57.34222	0.7
59.06123	1.2
60.05651	2.0
61.02929	0.8
69.03428	3.7
69.07071	1.0
70.15446	1.6
70.15784	1.4
71.04998	1.0
81.03418	2.5
85.02909	11.5
85.22479	0.8
87.00838	4.2
91.05478	4.7
91.19516	0.7
97.02898	3.1
99.04452	1.5
105.01861	5.3
105.07019	0.9
109.02912	3.9
119.04925	0.9
121.06512	19.2
121.07332	1.5
123.08086	7.5
125.70031	0.8
127.03925	6.2
139.07561	5.7
145.04994	2.3
149.07161	1.4
151.07549	100.0
152.07864	2.2
159.02847	1.8
172.60567	1.0
193.08563	1.8
207.13814	50.2
208.14197	1.4
212.94930	0.8
225.14893	2.3
231.05128	1.1
304.26459	0.8
305.22092	0.9
315.15836	0.9
333.17249	1.1
490.16812	1.2
490.27292	2.5
491.18518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
53.86544	0.8
55.01862	2.1
57.16542	0.9
67.05487	1.7
69.03434	5.1
69.07045	1.1
70.06590	1.5
73.02895	1.3
79.05507	1.0
79.41719	1.0
81.03411	3.8
81.07073	4.6
83.04988	1.2
85.02908	26.3
87.00829	2.2
87.04482	2.2
89.06030	6.3
91.05494	2.8
93.07040	2.2
95.08536	1.0
97.02897	4.1
98.23426	2.9
99.04435	1.4
103.03941	8.8
105.01876	2.8
105.07030	10.6
105.38686	1.0
107.04874	0.9
107.08601	3.6
108.08117	0.9
109.02862	2.6
109.06512	1.4
109.10178	1.4
117.06991	1.4
119.08589	13.6
121.10131	2.4
123.11707	15.8
127.03925	5.6
130.07782	1.2
131.08606	2.2
133.06474	5.8
133.08575	3.2
133.10115	1.3
143.08583	2.0
145.04991	2.6
145.10136	14.5
147.08018	1.3
147.11682	19.8
149.09601	3.4
150.82036	1.0
156.09314	4.7
159.08000	1.3
171.11653	3.6
174.10408	1.2
177.11226	1.7
189.12744	100.0
190.13101	1.5
194.11653	1.5
197.11664	1.5
207.13817	22.7
215.26389	0.9
220.37907	1.0
221.08069	2.6
225.14888	6.0
231.04996	1.3
269.88318	1.0
395.78217	1.1
430.18442	2.9
490.20053	6.6
491.16183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54191	1.1
55.01874	1.9
55.05519	1.7
57.03432	2.7
61.02901	1.8
61.90265	0.9
63.67363	0.8
67.05495	1.3
67.55154	0.8
69.03430	8.8
70.06583	1.9
71.04979	1.1
71.45838	0.9
73.02909	1.9
80.05020	3.0
81.03408	3.3
81.07030	1.3
84.08143	4.3
85.02904	9.3
86.09693	1.0
87.04472	1.4
88.14648	0.9
91.05498	1.2
93.07040	1.2
94.06578	2.6
95.08582	1.2
96.08116	1.0
97.02890	5.1
99.04449	1.7
103.05628	0.8
105.07091	1.4
107.08619	1.2
108.08129	1.5
109.02887	2.2
110.09657	1.7
112.07613	1.0
117.03414	1.1
118.06559	1.0
119.08620	1.1
120.08106	1.4
122.09666	7.2
125.06014	2.3
125.09637	1.9
127.03923	1.5
132.08099	1.1
134.09654	2.0
135.10405	1.5
136.11200	1.9
143.08578	1.3
145.02899	2.1
146.09642	1.8
148.11288	1.1
148.88982	0.9
149.23669	0.9
150.09140	7.2
152.07056	0.9
152.10733	2.7
154.12343	1.2
158.09692	0.9
160.11201	7.4
162.09224	0.9
163.03934	2.9
168.10153	7.5
177.05447	1.8
178.12308	4.0
180.10197	1.1
182.11760	53.9
184.13362	0.9
188.14383	1.0
192.13792	1.4
204.13881	0.9
210.11302	2.7
216.13791	1.2
218.15422	1.2
222.14909	2.4
234.14877	33.2
234.17224	1.8
236.16447	2.2
248.16490	2.6
252.15955	24.8
264.19620	1.8
266.17459	5.1
274.18051	1.9
292.19073	21.1
310.20154	22.4
328.21167	72.9
329.21408	1.7
380.07635	1.0
414.21146	1.5
490.26450	100.0
491.27213	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	490.282
Annotation	Migrastatin
Peak:m/z	Relative Intensity
55.05499	1.3
56.05030	2.9
57.83125	0.5
67.05500	1.4
69.03423	2.4
69.07102	0.8
70.06588	3.4
71.04993	1.1
71.44978	0.7
72.08147	1.9
74.09712	1.1
79.05476	1.6
80.04991	1.1
81.03394	1.0
81.07056	1.5
84.08150	2.4
85.02893	0.7
86.09698	1.8
91.05471	1.3
93.07056	1.4
94.06576	0.8
95.08596	0.7
96.08116	1.5
97.08912	1.0
104.05326	1.6
105.07023	1.7
107.08585	1.4
108.08121	0.9
110.09683	1.9
114.09169	0.6
116.07074	0.7
117.07027	0.8
117.31675	0.5
119.08575	1.3
120.08123	1.9
121.10136	0.7
122.09686	1.7
124.11199	1.4
125.05953	0.7
127.07332	0.6
129.10233	0.7
131.08546	1.7
134.09647	1.2
136.11211	6.9
137.05962	1.1
138.12787	0.9
143.08615	1.2
145.10136	1.1
148.11145	0.8
150.09149	1.3
150.12810	1.6
157.10176	0.8
162.12799	2.6
164.14365	1.5
171.11743	0.6
173.09653	1.3
175.11343	0.6
181.10141	0.6
182.11813	1.0
192.17357	0.6
195.05096	0.8
236.16544	1.7
261.38730	0.6
264.19791	0.6
274.18195	0.7
276.19598	1.7
300.19687	0.6
303.17081	0.6
372.21677	1.7
398.23239	14.7
399.23965	0.7
418.22406	1.1
454.25839	1.7
472.26953	33.5
473.27368	2.3
490.28012	100.0
491.13364	0.6
491.28287	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	490.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
57.03430	4.5
57.07082	4.2
58.06601	19.1
59.07383	5.9
60.08166	23.8
67.05519	2.5
69.07027	1.0
71.01350	3.5
71.08627	3.6
73.44960	0.5
75.04454	1.7
77.91489	0.5
81.07026	2.1
82.06534	0.5
83.04970	0.6
83.08582	1.3
83.54903	0.4
84.08142	3.1
85.05241	0.7
85.10161	1.7
86.93738	0.5
87.04471	2.6
88.03943	1.5
89.02396	6.0
95.08566	2.2
98.23569	0.8
100.07620	10.7
101.02348	1.8
102.71111	0.5
103.06320	3.4
109.10123	0.9
118.08658	41.1
119.36852	0.5
121.06443	0.5
129.05437	0.8
152.61063	0.5
160.09734	2.9
160.69849	0.5
172.13260	0.6
173.38394	0.5
178.10710	2.3
182.83583	0.5
216.12222	1.6
229.04820	0.6
234.13229	0.5
252.14424	100.0
253.14792	2.0
390.86923	0.6
410.36340	1.6
428.37424	2.7
453.52325	0.6
472.36349	39.4
473.36612	1.9
490.37427	81.2
490.43738	3.1
491.37949	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	491.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78255	0.9
53.03952	8.6
55.01871	15.3
55.05513	6.7
57.03435	6.4
59.05006	1.3
61.02926	6.4
66.92954	1.1
67.05504	4.2
68.99799	3.7
69.03433	32.0
69.07069	1.4
69.26230	5.1
71.05009	5.9
73.02924	11.3
79.05502	5.7
81.03418	41.1
81.07066	4.8
83.01324	1.7
83.05000	1.5
83.08627	3.7
85.02905	100.0
87.00831	34.2
87.04467	1.4
91.03939	3.3
91.05499	3.9
93.07061	5.1
95.04993	2.6
95.08626	1.9
97.02892	42.7
97.10167	7.3
97.57301	1.0
99.04454	17.9
105.01868	36.1
105.07030	3.1
107.04955	2.6
107.08578	3.6
108.04490	1.3
109.02876	40.4
109.06512	2.0
109.10157	1.5
111.44115	1.1
115.03922	1.8
117.01832	6.2
119.08571	1.3
121.06486	2.3
121.10148	1.0
123.04392	0.9
125.09643	4.2
127.03915	99.1
128.04248	1.8
129.01851	4.5
129.06996	1.1
131.08575	2.8
133.10112	1.5
135.08073	0.9
145.04959	67.9
146.05348	1.1
147.02888	5.5
148.44128	1.0
149.02281	5.1
152.06232	1.3
153.06998	4.0
153.09250	0.9
159.02884	36.5
161.09668	1.8
168.05748	1.2
171.08073	1.7
177.04005	3.1
180.06586	1.4
180.08058	9.5
181.06483	47.6
189.03923	1.1
189.09018	1.1
189.11252	2.9
191.14418	1.0
193.05019	3.1
193.12314	1.9
207.06827	1.5
208.07559	7.9
213.03894	5.5
219.13806	5.7
223.07610	2.0
227.12769	2.4
231.04999	28.9
231.07333	1.8
237.07550	3.0
245.11696	1.2
249.06120	3.2
250.08783	1.4
251.02419	1.2
371.21857	1.1
445.26352	1.8
459.27377	2.2
473.14719	1.8
473.25204	2.0
474.13086	1.1
491.25992	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	491.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.01878	13.6
55.05517	9.0
57.03433	7.5
57.03702	1.7
61.02916	4.1
67.05498	6.6
69.03430	29.3
69.22203	2.5
71.04981	8.0
73.02921	7.3
79.05493	7.1
81.03423	32.0
81.07053	8.3
83.08630	3.1
85.02910	98.9
85.53925	1.7
87.00838	30.9
87.04465	2.7
91.03948	3.0
91.05495	4.4
93.07043	6.6
93.69930	1.9
95.04981	3.7
95.08600	2.2
95.28767	2.0
97.02901	44.3
97.10159	7.3
98.23508	4.4
99.04456	20.6
105.01859	36.4
105.07028	5.4
107.04978	5.9
107.08584	3.1
109.02888	35.0
114.05643	1.8
117.01848	5.4
117.06996	3.4
119.08602	2.8
121.06514	5.4
121.10163	2.5
125.09624	6.3
127.03918	100.0
129.01836	4.7
131.08574	3.2
145.03831	3.4
145.04968	68.5
147.02887	7.0
147.11754	2.2
153.06995	5.8
159.02905	28.3
159.11809	2.2
165.09087	3.0
166.39642	2.4
177.03922	4.4
180.08105	6.8
181.06488	37.8
189.03989	2.1
189.11131	2.1
208.07642	7.7
213.03999	7.2
219.13809	8.1
223.07478	3.1
231.04997	34.6
249.06049	4.2
275.16342	2.4
367.22589	3.5
385.23651	2.8
459.27258	9.6
473.25320	2.8
491.25494	5.4
491.29861	9.9
511.33017	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	491.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05257	1.6
55.05511	24.1
57.03439	13.3
57.07076	22.3
59.05008	1.4
67.05167	1.9
67.05507	28.3
67.05860	1.5
69.07071	40.5
69.63937	1.9
69.64323	2.3
69.95503	0.9
71.04999	1.9
71.08632	14.2
75.04501	1.2
79.05490	10.8
81.07059	39.7
83.04974	2.1
83.08620	29.6
85.06528	3.0
85.10175	8.1
90.89539	1.0
91.05460	2.8
93.07051	17.5
95.04994	1.3
95.08611	40.7
97.06526	8.8
97.10171	22.6
98.23490	1.5
99.08083	1.0
101.06058	1.7
102.00013	0.9
105.07040	1.3
107.08590	13.9
109.10154	21.3
111.08077	7.0
111.11711	6.2
113.05987	1.2
115.07639	1.2
119.08563	2.3
121.10149	19.3
123.11723	8.6
125.09650	6.0
129.09157	1.3
131.07033	2.4
133.10150	1.3
135.11700	14.6
137.13268	1.8
139.11166	6.3
143.10674	1.2
146.04829	1.1
147.11717	0.9
149.13266	9.2
153.12740	4.3
163.14839	5.4
167.14333	1.7
175.14726	1.4
177.16335	2.3
181.15945	1.6
191.17966	1.3
195.17442	1.3
205.19482	1.1
247.68134	1.0
261.25766	3.7
279.26859	4.9
289.25363	2.8
307.26346	6.9
325.27411	2.4
343.28430	49.3
344.28723	2.3
366.08792	1.1
375.24283	1.1
381.29980	51.8
382.30328	3.3
399.31076	50.3
400.31311	2.3
455.33655	15.8
456.33826	1.3
473.34735	100.0
474.34909	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	492.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01860	3.8
57.03437	5.9
61.02930	9.6
65.85554	1.3
69.03429	30.1
71.04971	3.0
73.02927	6.6
81.03413	21.7
85.02906	100.0
87.04471	22.2
91.03961	7.1
97.02898	32.8
99.04449	7.1
103.03948	2.5
108.04487	7.8
109.02880	14.3
115.03934	74.6
117.46099	1.4
118.07649	1.3
118.92680	1.4
119.08569	1.3
125.06053	1.2
126.05553	2.0
127.03918	51.2
133.04965	27.2
138.65288	1.1
139.03918	2.0
140.04572	1.1
145.04962	83.8
163.03896	3.9
163.06006	9.7
181.04977	4.5
187.06004	1.9
195.06493	1.9
223.00774	1.3
241.07072	4.0
259.08112	20.1
277.09305	11.6
441.39166	1.4
446.79907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42764	0.9
53.03944	3.2
53.36848	0.8
55.01872	3.1
57.03440	5.8
61.02930	8.6
69.03434	30.5
69.30322	4.4
71.04992	1.8
73.02923	7.9
81.03421	20.7
85.02909	100.0
87.04472	22.5
91.03959	7.0
92.17772	0.9
95.84319	0.9
97.02895	34.1
99.04461	6.6
108.04510	6.3
109.02883	15.3
115.03937	73.8
126.05549	1.6
127.03924	53.7
133.04971	26.1
134.05170	1.1
140.04660	2.0
145.04967	76.0
146.05324	1.2
155.07056	1.1
163.06047	9.5
181.04968	3.0
187.06006	1.7
199.05969	1.6
241.07057	2.2
258.09729	1.5
259.08130	21.2
263.65674	0.9
276.10822	1.3
277.09213	11.8
341.24460	1.0
348.00208	1.0
424.19238	1.0
436.41434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	33.4
61.01154	15.7
61.83512	0.5
63.53423	0.6
67.32846	0.6
69.26818	1.2
69.27212	1.6
74.02443	2.5
74.06091	3.0
84.04508	1.5
85.02911	1.8
87.02679	3.2
98.23429	1.3
102.05549	8.5
104.05334	45.0
105.03706	0.6
113.55948	0.6
133.03197	39.5
133.39037	0.7
141.89519	0.6
150.05844	100.0
151.06129	0.9
203.87950	0.6
214.91444	0.5
242.52379	0.7
369.38327	0.6
411.61203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01869	1.2
67.05499	0.8
69.03429	2.1
71.04961	0.8
79.05473	1.0
81.03400	1.9
81.07064	0.9
83.01388	0.7
85.02916	6.8
87.00823	1.8
91.05482	8.4
93.07048	1.1
95.04987	1.3
95.08595	0.7
97.02888	2.6
98.22617	1.3
99.33113	0.7
103.05461	3.4
105.01879	1.3
105.03383	1.0
105.07040	1.2
107.04954	1.9
109.02873	1.9
113.05999	1.9
117.07014	1.5
121.05640	0.9
121.06509	17.7
121.07333	1.5
123.04446	5.7
127.03084	1.2
127.03883	5.4
129.07028	1.1
131.04921	1.1
135.04417	2.3
136.11237	3.2
137.05933	1.8
141.07004	0.8
145.04971	2.6
149.05986	28.2
149.07191	1.4
151.07579	0.9
165.07024	1.7
166.07797	2.6
176.14291	0.9
179.08418	0.8
181.10190	2.1
190.07756	0.8
194.07285	3.5
209.09666	1.3
212.08315	2.1
227.10678	100.0
228.10988	2.0
237.09030	1.0
269.11630	1.5
341.20810	0.7
449.31372	0.9
492.21884	2.3
492.29025	1.6
492.35471	2.1
493.23770	1.6
493.30603	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	492.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.6
67.05486	0.8
69.03412	0.7
69.18647	3.5
70.06601	4.8
70.98133	0.8
71.06905	0.7
72.08167	1.1
76.86150	0.5
84.08150	1.0
85.02916	0.7
86.09686	1.1
96.20968	0.6
98.22680	1.3
105.07037	1.2
108.99580	0.5
110.97527	0.7
119.08593	2.1
120.08114	2.1
128.98592	1.4
131.00233	1.1
133.10117	1.1
135.08063	0.5
136.11234	2.4
137.02313	0.6
137.06059	0.6
143.00111	0.7
147.11713	0.8
149.01265	1.3
152.61243	0.5
164.14334	1.2
172.22064	0.5
173.01158	0.8
175.14796	3.6
176.03969	0.6
178.05426	2.3
191.02243	0.6
191.14278	0.7
196.06474	1.7
204.03438	0.7
206.04958	2.2
209.04848	0.9
209.15285	0.8
220.06453	1.0
222.04305	2.8
224.05907	11.3
225.04370	0.6
226.07506	0.8
231.01837	0.8
236.05891	0.9
238.07584	2.7
240.05421	4.0
242.06996	5.6
244.08711	0.9
245.40422	0.6
249.07988	1.8
250.07585	1.6
252.09354	0.6
256.08652	1.6
258.06531	1.0
260.05832	0.6
262.07605	1.1
263.06277	0.5
264.08920	1.0
267.09143	0.7
268.08618	0.9
271.05881	1.0
272.06415	1.0
276.09247	0.7
288.09070	1.0
290.10696	1.8
299.05618	0.8
300.05875	2.6
300.12909	0.9
306.11621	0.6
318.13821	1.3
322.14706	0.6
324.12680	3.3
328.12439	1.4
336.16360	1.2
340.12097	1.2
342.13635	1.4
346.13293	1.1
354.17560	1.0
362.14151	2.0
378.14120	0.8
380.15302	9.7
396.14951	0.6
398.16428	13.0
412.17856	0.8
416.17453	1.0
418.22052	0.8
421.17953	0.7
436.23065	1.9
438.15692	1.1
456.17126	1.1
474.17853	8.3
491.31912	2.6
492.19046	100.0
493.19138	3.5
510.19882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16620	0.3
61.01161	1.0
61.02930	0.3
69.03439	0.6
79.05507	0.4
81.03418	0.4
84.90817	0.3
85.02900	2.9
86.09701	0.4
89.00616	1.5
90.87482	0.3
91.05491	0.5
97.02885	0.7
103.05452	0.3
105.07040	1.4
110.59457	0.4
115.05481	0.5
117.07042	1.0
119.04933	0.4
127.03931	0.5
128.06216	0.5
129.06972	0.9
130.07813	1.2
131.04906	0.6
131.08548	0.7
144.05717	0.6
145.04984	0.6
145.06487	1.6
145.10112	4.4
153.06987	1.1
154.07727	0.5
155.08559	49.7
156.08900	1.2
158.07265	10.7
163.07516	0.6
173.09622	100.0
174.09978	1.9
184.32162	0.3
191.10681	1.1
203.19304	0.3
212.40031	0.3
295.09943	1.7
335.15024	0.7
492.21307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
58.06582	0.2
64.22591	0.2
69.03403	0.4
69.78230	0.2
69.78552	0.5
71.30812	0.2
73.02953	0.3
74.09704	0.3
77.03404	0.2
78.04708	0.3
79.05503	0.2
81.03393	0.2
85.02901	0.5
86.09712	0.2
89.03906	0.2
90.04679	0.2
91.05473	1.1
95.04953	0.6
97.02893	0.4
98.22610	0.2
106.04166	0.4
107.04945	0.4
107.08573	0.3
108.05759	0.2
109.06494	0.5
110.07198	0.2
111.08094	0.2
115.03935	0.3
119.04956	0.3
120.05727	0.8
120.08096	0.2
121.06524	0.4
123.04430	0.8
127.03929	0.3
133.53499	0.2
135.04391	0.3
135.80571	0.2
136.05208	0.8
137.05981	2.7
138.06760	1.7
145.04935	0.3
148.05183	10.5
148.85796	0.2
149.05925	0.4
151.03874	1.0
156.15735	0.2
165.05412	0.4
166.06256	0.7
175.94778	0.2
181.08591	100.0
182.08919	1.9
219.10161	0.2
224.68591	0.2
237.70187	0.2
276.78073	0.2
337.43069	0.2
419.22610	0.3
443.11407	0.2
474.28043	0.3
492.18896	0.4
492.29272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
55.01867	5.4
55.05509	13.6
57.03434	5.2
61.02916	7.7
67.05511	9.1
69.03432	46.3
69.07070	13.2
69.35245	17.0
71.04993	6.5
79.05496	14.5
81.00600	3.3
81.03420	13.0
81.07054	29.5
83.04982	13.8
83.08622	8.0
85.02913	80.4
85.06564	4.2
86.06067	6.2
87.00831	21.8
87.04463	17.8
91.05489	17.4
93.07047	31.2
94.06578	3.5
95.04961	8.7
95.08597	22.7
97.02892	27.4
97.06554	7.9
99.04451	10.2
102.05548	4.3
105.01881	25.4
105.07032	30.5
107.05017	5.1
107.08595	54.6
109.02890	17.6
109.06525	18.2
109.10159	25.6
113.18196	4.0
115.03928	16.6
117.06969	6.0
119.08595	33.8
121.10143	53.5
123.08059	10.7
123.11703	69.1
125.09639	7.5
127.03922	60.0
129.07048	3.7
131.08588	24.8
133.04997	8.8
133.10129	80.1
135.04369	4.2
135.08046	13.1
135.11688	12.1
136.11224	72.4
137.09644	10.7
139.11154	5.1
143.08598	6.8
144.06544	8.4
145.04958	27.4
145.10141	13.6
147.11679	30.3
149.09612	22.6
149.13295	26.3
151.11208	38.4
153.09123	8.7
158.10872	6.3
163.06201	3.9
163.07570	4.2
163.14851	11.5
165.12746	14.0
167.07053	4.6
167.10677	72.4
167.14282	6.0
169.31987	3.9
173.13275	65.9
175.14848	76.9
191.14296	61.3
209.15341	53.8
227.16418	100.0
228.16873	4.7
231.04999	10.3
249.06061	8.8
259.08157	5.6
305.88193	4.8
339.16650	5.1
492.21564	34.3
492.28833	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	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05511	7.6
57.03455	2.8
67.05499	5.8
69.03430	10.1
69.07077	4.6
69.37530	5.5
69.37938	4.4
71.04987	3.0
74.75701	1.8
79.05470	4.6
81.03426	6.7
81.07058	14.4
83.04958	13.0
83.08621	11.9
85.02905	21.2
85.06532	2.9
87.00822	6.1
87.04510	3.5
91.05477	8.0
93.07040	10.9
95.04973	20.0
95.08601	8.7
97.02895	8.2
97.06532	9.6
98.23449	4.5
99.04452	6.1
105.01870	12.2
105.07058	9.7
107.08601	16.2
109.02885	6.7
109.06536	20.5
109.10164	24.8
110.95909	1.9
111.08084	3.2
115.07553	3.9
119.08587	7.6
121.06560	3.1
121.10134	19.2
123.08038	2.3
123.11700	6.8
125.09573	3.1
127.03917	15.9
131.08580	10.1
133.10130	35.9
135.08069	2.4
135.11790	2.6
139.11194	2.4
145.04967	8.3
145.10089	4.1
147.11693	8.5
148.27623	1.9
149.13286	10.1
151.11148	15.4
153.09073	14.3
158.10907	3.0
161.77620	1.9
163.14842	7.1
165.12831	2.1
167.14337	15.4
173.13286	21.9
175.14809	4.8
189.04199	2.4
191.14297	27.3
209.15370	100.0
222.87186	2.0
227.16394	20.5
231.05078	4.7
388.17218	2.3
441.41937	2.0
488.33926	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01870	2.6
55.05513	6.4
57.03436	4.5
57.07076	1.7
59.04993	2.1
61.02933	1.8
63.90794	0.8
66.92918	0.9
67.05499	2.5
68.99792	1.4
69.03429	12.1
69.07069	4.9
70.35478	1.5
71.04994	3.8
73.02908	1.2
79.05501	4.5
81.03418	8.1
81.07059	11.8
83.04964	3.1
83.08626	6.7
85.02903	36.7
85.03417	1.9
85.06530	3.2
87.00832	15.0
91.05466	4.7
93.07045	8.6
95.04977	11.7
95.08624	6.3
95.18574	0.7
97.02895	9.9
97.06529	21.8
98.23511	0.8
99.04459	6.8
99.08092	3.1
105.01869	12.7
105.07031	15.6
107.08599	14.6
108.08945	0.9
109.02887	9.3
109.05750	1.8
109.06514	38.0
109.10150	12.5
111.08083	2.5
113.06036	1.3
113.09623	1.4
115.03893	1.0
115.07558	10.3
117.07012	1.8
119.08572	11.3
121.09278	1.0
121.10140	18.7
123.08074	9.5
123.11675	3.7
125.09634	2.2
127.03912	18.6
127.07547	2.5
129.01869	2.2
131.08563	11.1
133.10124	49.8
134.10524	1.0
135.08070	7.6
135.11699	1.8
137.09543	1.2
139.11191	1.5
145.04955	6.6
145.10138	4.8
147.11687	30.8
149.09644	1.9
149.13280	5.3
151.07565	1.2
151.11185	3.3
153.09108	15.1
158.10883	2.4
159.02916	3.7
163.11241	1.2
163.14850	6.6
165.12753	11.9
167.14211	1.2
171.10133	0.9
173.13255	26.2
174.13646	1.1
175.14854	2.0
187.78629	0.8
191.14311	45.5
209.15366	100.0
210.15767	1.5
225.14793	1.7
227.16414	82.2
228.16803	2.5
231.04947	3.9
249.06139	2.6
319.11615	0.9
439.19537	1.9
457.20767	1.7
475.21628	1.3
492.22003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05511	16.3
57.03432	1.4
59.04982	1.2
61.02917	0.9
67.05508	3.6
69.03443	5.1
69.07069	3.0
69.60046	1.7
69.60435	1.9
71.04996	1.6
79.05476	1.4
81.03419	2.5
81.07061	4.2
83.04981	15.0
83.08618	15.8
85.02903	8.1
85.06519	1.0
87.00832	3.3
87.04504	1.1
91.05490	2.0
93.07046	4.8
95.04949	4.5
95.08595	3.9
97.02908	4.2
97.06516	3.6
97.10188	2.2
99.04463	3.6
99.08077	1.0
105.01860	3.1
105.07045	4.3
107.08593	9.7
109.02875	1.5
109.06531	4.6
109.10141	8.9
111.08085	3.4
119.08611	1.7
121.10128	5.0
123.08060	1.0
123.11674	4.1
125.05988	1.0
125.09645	3.9
127.03915	4.0
130.14552	0.9
131.08569	2.1
133.10124	8.9
135.08049	2.9
135.11708	1.1
138.09116	0.7
139.11150	1.0
145.04968	2.4
147.11705	1.8
149.09727	1.1
149.13264	4.3
151.11179	20.9
153.09067	1.9
163.14799	2.2
165.12820	1.0
166.08560	1.0
167.14328	27.9
173.13290	4.0
191.14288	6.6
209.15367	100.0
210.15619	1.9
227.16444	3.6
231.05038	1.3
255.11345	0.9
281.13705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.3
57.07081	1.4
67.05513	4.1
69.03426	9.7
69.07072	8.1
71.03397	1.6
71.05000	1.9
74.01631	1.0
79.05497	2.5
81.03429	2.5
81.07056	5.4
83.08623	3.0
85.02897	5.8
85.06524	1.1
87.00837	1.3
91.05494	5.6
93.07056	5.2
95.04987	2.2
95.08609	9.6
97.02898	4.6
97.06540	1.6
97.10145	1.1
99.04480	1.7
100.29059	1.0
105.01857	1.9
105.07028	13.6
107.08602	11.6
109.02907	3.0
109.06533	2.7
109.10155	10.6
111.08069	1.3
115.03929	3.0
117.06995	1.7
119.08588	42.0
121.06490	1.4
121.10143	6.8
123.08063	1.6
123.11701	2.9
125.09658	5.0
127.03935	4.2
131.08556	5.3
133.10138	53.0
135.08076	3.2
135.11665	6.7
137.09622	5.4
143.08589	1.9
145.04982	2.1
145.10091	5.3
147.11671	12.8
149.09694	1.2
149.13245	5.0
151.11128	1.7
151.14781	1.5
153.09203	1.3
158.10823	1.2
160.12500	1.7
163.14894	2.4
166.08719	1.2
167.14417	1.5
173.13290	9.1
175.14825	100.0
176.15179	2.5
191.14314	25.0
193.15881	4.8
208.17010	1.1
209.15379	18.6
231.04974	1.5
249.06169	1.2
290.78369	1.1
304.19022	1.6
321.15930	1.1
330.30023	1.1
492.22116	1.6
492.29391	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	492.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19516	0.6
55.05506	2.1
65.03941	0.9
67.05515	6.1
68.05846	1.0
69.07071	2.4
79.05490	3.1
81.03420	2.8
81.07050	5.5
83.04962	0.8
83.08619	2.2
89.00471	0.8
91.05466	3.9
93.07049	5.7
94.07341	0.8
95.04967	2.2
95.08613	6.5
97.10197	0.9
105.07028	5.5
107.08599	12.4
109.06541	1.7
109.10148	2.2
111.08098	1.0
117.07050	1.2
119.08590	11.4
120.08148	1.4
121.06528	2.0
121.10162	7.7
123.08075	3.3
123.11622	0.9
129.07088	1.1
131.08583	2.9
133.10158	9.0
134.10414	0.9
135.08061	2.1
135.11710	2.1
137.09650	1.5
143.08571	1.7
145.10138	10.9
146.58722	0.7
147.08069	1.7
147.11661	4.3
148.12025	1.2
149.09636	3.0
157.10135	1.8
158.10844	1.2
159.08058	1.0
159.11684	7.3
161.09651	2.3
161.13281	1.6
163.11093	0.8
165.09096	2.7
167.10580	1.0
171.11655	1.3
172.12440	2.7
173.09700	1.0
173.13239	1.4
175.11154	1.1
175.14822	4.2
177.12852	0.8
177.16393	2.1
179.34647	0.6
185.13289	1.6
187.13239	1.1
187.14839	15.7
189.16409	1.4
193.12289	1.2
197.13348	1.1
201.12932	0.8
203.14343	10.5
205.15874	1.9
215.14308	18.0
217.15916	2.6
233.15370	62.5
234.15823	1.7
235.16859	1.5
251.16586	0.7
267.15814	1.4
290.96310	1.0
325.25253	1.2
337.25125	1.4
337.85931	0.7
343.26291	3.0
345.54620	0.7
355.26379	7.7
373.27386	100.0
374.27847	5.5
474.29346	2.7
475.28455	0.8
492.30853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	11.4
62.16028	8.4
69.92537	28.7
70.06598	44.8
72.08157	18.7
75.79948	11.0
81.03419	9.7
84.08142	16.7
85.02905	36.4
86.09727	15.3
97.02896	22.1
98.22796	14.6
108.24939	8.7
109.02887	17.6
114.05678	8.2
120.08118	11.3
121.02921	16.6
123.04404	8.7
127.30427	9.8
129.10214	13.7
130.04984	10.6
137.05942	14.7
139.03923	19.2
147.04382	14.4
159.04402	10.0
159.50934	8.6
161.06038	9.7
163.03874	25.0
175.03867	21.5
177.05437	22.0
181.04922	20.6
187.03940	14.0
189.05466	32.5
193.04886	52.1
198.00478	9.3
201.05542	19.5
205.04979	57.3
213.05568	15.8
217.04956	33.8
219.06517	22.7
221.04428	19.6
223.06052	42.3
225.05458	11.7
229.05026	25.7
231.06563	24.4
235.05971	43.6
241.04971	16.7
243.06485	16.0
245.08156	12.8
247.05978	100.0
249.07600	12.3
253.04886	20.2
255.06551	11.9
257.04242	9.0
259.06024	93.1
271.05939	32.2
273.07504	17.4
277.07065	72.6
283.06039	13.0
285.07581	22.3
287.05588	10.5
289.07019	90.8
301.07071	70.7
307.08289	23.4
312.50842	9.6
313.06970	45.7
319.08124	42.1
325.06418	22.8
325.09195	47.6
337.09259	16.1
343.08109	46.1
355.08084	20.2
361.09204	41.8
367.08188	11.7
373.09314	26.9
379.10269	19.8
385.08975	19.7
391.10248	41.4
403.09995	28.2
409.46387	9.5
421.11020	17.1
439.12436	19.2
493.24014	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	493.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83413	0.3
63.25635	0.3
67.05487	0.7
69.03426	1.5
70.06599	0.4
74.00661	0.7
79.05488	1.0
79.49194	0.4
80.05002	0.4
81.07057	3.9
83.04996	0.4
84.08130	0.8
89.82453	0.4
91.05463	0.9
93.07027	0.7
94.06547	1.0
94.16977	0.4
95.08604	0.4
97.02905	0.8
103.29776	0.4
105.07034	4.4
108.08064	0.5
109.06512	1.5
113.06020	0.6
113.70036	0.4
120.01154	1.1
120.08131	0.4
121.06500	0.4
122.09673	1.1
131.08643	0.4
134.09671	0.9
136.11215	100.0
137.05974	5.5
137.11867	1.7
139.07564	0.7
148.11234	0.6
149.05951	0.5
151.07530	1.1
160.11179	0.5
162.12805	1.5
163.13542	0.5
164.14351	1.1
174.12833	0.7
176.14374	2.7
220.02512	0.3
227.10675	0.9
228.11070	1.4
229.12318	2.0
234.14954	3.6
235.15671	17.7
236.16447	4.4
262.18018	13.0
263.18298	0.6
274.17978	1.1
277.12738	0.4
344.22226	1.1
372.21698	50.1
373.22113	2.0
406.20428	3.4
448.21606	1.2
449.31531	1.2
493.23584	40.7
493.30582	16.7
494.23746	2.4
494.30637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2796
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02383	0.7
52.99814	0.6
53.03935	3.7
55.01876	9.4
55.05512	27.9
57.03436	10.8
57.07067	1.5
59.04995	3.5
60.82392	0.7
65.03953	2.0
67.05503	27.1
69.03436	4.0
69.07069	7.7
71.01357	1.8
71.04996	7.6
75.01996	0.7
79.05493	36.9
81.03416	52.1
81.07056	35.7
83.01332	5.5
83.04981	18.4
83.08619	21.1
84.08186	0.7
85.02908	24.3
85.03416	1.7
85.06557	2.0
89.24523	0.7
91.05479	37.7
93.07045	33.0
95.04969	27.6
95.08610	13.4
95.09204	0.8
97.02909	4.4
97.06520	7.1
97.10175	6.6
99.04462	2.2
99.08144	1.2
103.05438	1.7
105.04505	0.9
105.07029	25.5
107.04945	10.0
107.08594	17.5
109.06510	7.9
109.10191	4.3
111.04447	5.0
111.08078	8.4
113.05995	2.0
115.05472	1.9
117.07037	8.2
119.08583	20.5
121.02865	0.9
121.06547	4.2
121.10143	11.6
123.04420	0.9
123.08064	9.3
123.11718	1.0
125.05980	2.0
125.09626	4.4
128.06230	0.9
129.06992	9.6
130.07791	2.5
131.08585	8.7
133.06496	2.7
133.10127	7.5
135.08095	2.3
135.11690	11.0
135.12662	1.1
137.09630	2.7
138.57201	0.9
139.07559	1.1
142.07802	1.5
145.06519	1.1
145.10133	13.2
147.08061	5.0
147.11673	11.3
149.09628	4.7
153.12721	3.3
155.08594	2.0
157.10143	9.6
159.11716	1.1
161.09729	0.7
163.11180	22.4
165.12758	2.2
173.09618	2.5
175.11191	11.6
181.12242	3.4
189.11250	2.0
191.10742	3.0
193.12245	40.3
205.12090	0.8
209.11707	8.2
211.13292	50.6
212.13704	0.9
227.12735	4.6
249.14931	1.5
267.15881	5.4
283.15375	4.6
347.84662	0.8
365.21164	0.9
383.22198	6.0
401.23221	3.7
419.24304	1.1
457.25784	1.6
475.26862	6.6
493.27963	100.0
494.28439	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	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03944	3.2
55.01870	10.0
55.05510	25.0
55.60819	0.4
57.03434	10.7
57.07061	1.2
59.05003	3.6
65.03938	1.7
67.05502	29.6
69.03429	4.7
69.07062	7.6
71.01344	1.5
71.04634	0.6
71.04987	7.2
74.88358	0.4
77.03919	1.6
79.05489	35.9
79.16094	0.4
81.03413	54.6
81.07053	35.4
81.07435	0.5
81.07558	0.7
82.03744	0.5
83.01342	7.2
83.04977	18.3
83.08614	21.8
85.02901	27.1
85.06522	2.6
91.05476	34.3
93.07041	32.2
93.07662	0.4
94.04169	0.5
95.04964	27.6
95.08602	13.0
97.02880	4.6
97.06525	6.2
97.10168	4.6
98.21938	0.4
99.04459	2.9
99.08091	0.8
101.09612	0.5
103.05447	1.2
105.03396	0.6
105.04516	1.7
105.07024	24.2
106.07365	0.5
107.04948	10.7
107.08588	15.4
109.06516	8.6
109.10151	3.1
111.04433	5.5
111.08077	8.8
113.06034	2.4
115.05415	2.1
117.07008	9.6
119.08572	18.7
121.06506	4.4
121.10140	13.7
121.10990	0.9
123.04428	1.0
123.08064	8.7
123.11678	1.7
125.05966	1.7
125.09605	3.0
127.07543	0.6
128.06212	0.9
129.06995	8.3
130.07768	1.1
131.08546	9.5
133.06502	2.8
133.10118	7.1
135.08087	2.3
135.11687	9.1
137.05975	0.7
137.09618	3.7
139.07542	0.6
142.07837	2.1
142.48021	0.4
143.08563	1.0
145.06458	1.1
145.10109	14.0
145.11211	0.9
147.08032	4.7
147.11688	11.0
149.09601	4.3
151.07544	1.0
151.11197	0.6
153.09021	0.6
153.12756	3.3
154.53755	0.5
155.08511	0.9
157.10109	9.4
161.05823	0.5
161.09517	0.5
163.11171	24.1
165.09036	0.5
165.12737	3.0
173.09639	2.8
175.11171	10.9
181.12227	3.4
185.73726	0.4
189.11249	1.2
191.10646	3.9
193.12233	45.2
194.12578	1.3
209.11734	7.0
211.13277	51.6
212.13687	0.9
227.12767	4.5
229.12227	0.6
247.13310	0.6
249.14853	1.4
265.14243	0.6
267.15866	4.8
283.15314	3.1
285.17001	0.6
287.14334	0.5
330.36389	0.5
383.22079	3.3
401.23199	2.4
457.26028	0.6
475.26773	4.4
493.27917	100.0
494.28214	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	493.2812
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05511	5.1
57.03413	0.4
57.05816	0.6
63.71164	0.5
67.05508	1.6
69.07064	0.7
72.08155	47.7
79.05481	1.4
81.03414	1.0
81.07057	1.4
83.04967	0.7
83.08611	0.9
91.05485	2.1
93.07066	1.5
95.04973	0.8
95.08607	0.8
101.31776	0.5
103.05468	2.1
105.07035	0.9
107.08573	0.7
109.10143	0.5
117.07010	0.6
119.08565	0.9
120.08103	100.0
120.83018	0.4
121.08443	1.5
121.10117	0.5
129.07060	0.6
131.08603	0.7
133.10104	0.6
145.10085	0.5
147.04330	0.5
157.10162	0.7
169.99876	0.5
171.14934	7.5
174.12738	2.9
192.55301	0.5
193.12366	0.9
199.14407	7.2
219.14917	17.4
227.12709	0.9
247.14418	22.1
248.14635	0.6
251.33951	0.5
267.14908	9.5
273.19638	1.1
295.14383	12.4
301.19147	3.9
346.21204	8.5
349.19049	2.7
367.96432	0.5
383.22571	0.6
394.21213	8.1
448.25955	0.7
465.28781	0.8
475.26797	1.2
482.35568	0.6
493.28046	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.1
57.03446	4.7
57.07079	51.7
57.07365	2.5
59.42897	1.3
61.02946	1.8
62.45915	1.2
67.05509	18.0
68.26260	1.1
69.07079	10.6
71.08635	39.9
74.67151	1.4
75.04485	3.3
79.05503	1.6
81.07062	22.8
83.08627	15.7
85.10185	24.5
93.07066	2.8
95.08615	29.4
97.10175	8.0
98.22706	3.5
99.11723	2.2
100.34693	1.3
109.10166	14.0
111.11723	3.6
121.10189	1.6
123.11722	6.2
125.13335	1.2
131.10898	1.4
137.13278	3.6
151.14865	1.9
156.96436	1.7
165.16330	1.4
203.07071	1.8
221.22655	1.8
239.23706	38.2
240.24048	2.1
257.24826	5.5
312.81009	1.4
313.27386	100.0
314.27676	3.9
331.28464	5.1
393.60388	1.5
493.24142	1.8
493.38724	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	493.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.3
57.03440	4.1
57.07076	44.4
67.05509	14.0
68.39023	1.5
69.07075	10.5
69.42435	6.8
71.08631	35.3
75.04491	3.4
79.05511	2.7
81.07062	20.3
83.08624	12.0
85.02934	3.2
85.10184	17.6
93.07030	4.4
95.08611	27.7
97.10175	7.6
99.04457	1.6
105.07023	1.8
109.10149	12.0
111.11760	2.6
121.10167	2.1
123.11723	6.0
133.10133	1.6
137.13235	4.0
145.57599	1.6
156.96436	2.4
188.60153	1.6
199.48184	1.7
221.22688	1.6
239.23715	35.2
257.24811	4.7
313.27383	100.0
314.27826	4.0
331.28409	3.3
493.23230	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	494.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01872	0.3
57.03435	0.4
60.04509	0.2
61.02921	0.5
65.03944	2.4
67.05495	0.9
69.03431	1.3
70.06576	0.3
73.02901	0.2
75.06896	0.2
75.21535	0.2
75.53930	0.2
81.03428	0.5
82.04211	1.0
84.56568	0.1
85.02905	5.4
91.03954	0.2
93.03410	1.0
95.04961	0.6
97.02904	1.1
97.06534	0.8
105.04485	0.2
108.02107	0.5
109.02850	0.2
110.03664	1.6
111.04434	0.6
125.05973	0.9
127.03905	0.6
131.34409	0.2
138.03079	1.0
142.02623	0.6
144.65237	0.2
145.04930	0.9
153.05479	3.4
163.06010	0.2
171.06535	3.2
180.08647	1.0
181.04956	100.0
182.05295	1.7
251.24521	0.2
344.60385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01875	0.3
57.03419	0.5
61.02915	0.5
65.03944	2.5
67.05499	1.2
69.03441	1.5
69.07018	0.2
69.39399	1.1
70.06608	0.2
73.02909	0.2
81.03432	0.5
82.04202	0.8
85.02406	0.3
85.02903	4.7
93.03387	0.8
93.11297	0.2
95.04980	0.5
95.15295	0.2
97.02903	1.3
97.06535	1.1
99.04424	0.3
108.02115	0.3
110.03671	1.1
111.04444	0.4
115.03884	0.2
125.05984	0.9
125.65910	0.2
127.03932	0.8
136.13229	0.2
138.03113	0.7
139.03824	0.2
142.02611	0.7
145.04915	0.7
145.49994	0.2
153.05470	3.2
159.98552	0.2
171.06535	3.0
180.08607	1.3
181.04951	100.0
182.05283	1.6
255.02238	0.2
273.00858	0.2
288.04053	0.2
308.18649	0.5
315.06833	0.2
336.89151	0.2
354.40976	0.2
380.11963	0.2
394.54706	0.2
456.33282	0.2
476.15182	0.3
494.15295	3.0
495.15619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02390	0.6
51.44568	0.2
53.03943	0.8
55.01865	0.3
55.05518	0.6
56.05845	0.2
57.03437	6.6
67.05499	1.4
69.03432	0.3
69.07077	0.7
71.04976	0.3
73.02914	0.8
77.03908	2.0
79.05496	8.8
81.03416	1.1
81.07062	1.6
83.04990	0.4
83.08621	0.8
85.02913	3.1
91.05489	1.1
93.07030	0.7
95.01324	0.9
95.04974	4.6
95.08614	1.0
97.02892	0.6
97.06535	0.6
97.10178	0.6
101.02389	0.3
105.03391	74.6
105.04530	2.1
105.07021	0.7
106.03721	0.7
107.04950	0.8
107.08593	0.9
109.10152	0.7
113.02368	0.9
117.06998	0.3
119.08562	0.5
121.10170	0.6
122.45329	0.2
123.04427	14.3
123.08066	0.3
123.11706	0.3
124.04805	0.3
125.09612	0.6
127.03935	0.3
131.03355	0.4
131.08568	0.4
133.10114	0.3
135.11716	0.3
137.09619	0.8
141.01816	1.5
145.04948	0.3
145.10138	0.5
149.09627	0.3
151.07504	2.8
159.02956	0.4
165.09119	2.7
175.14786	0.3
179.07025	100.0
180.07375	1.7
191.10611	0.4
192.64958	0.3
211.13316	0.4
211.16859	0.3
221.08063	0.3
240.41148	0.2
269.90634	0.3
281.06534	0.7
283.09631	5.4
283.33701	0.3
301.10638	0.8
333.17105	0.2
355.10226	3.5
384.22577	0.4
388.21420	0.3
396.18036	0.7
402.23840	0.4
493.27631	0.3
494.20868	0.6
494.28131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59465	0.8
63.37625	0.7
68.99796	0.9
69.03428	1.8
69.43819	0.7
72.96832	0.9
79.05491	3.5
81.03420	1.1
81.47009	0.8
85.02912	5.2
87.00813	1.6
91.05493	1.3
92.13328	0.8
95.04963	0.9
97.02917	1.8
103.05475	2.6
105.01886	1.3
105.03422	4.0
105.07035	100.0
106.07368	1.8
109.02901	1.1
110.47480	1.0
120.08120	0.9
123.04446	1.3
123.08077	1.0
127.03992	4.2
137.05991	2.4
145.04980	1.7
151.07535	12.0
159.02939	1.2
173.88351	0.8
175.72137	0.8
179.07051	5.0
181.59589	1.0
183.08734	0.9
189.03908	1.4
211.20111	0.8
229.12250	63.2
230.12560	1.2
253.12155	6.3
271.13333	3.4
295.13330	2.3
319.13049	1.0
337.14389	2.4
494.24158	2.7
494.30832	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	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90437	1.2
53.03928	2.2
55.01885	2.7
55.05510	3.8
57.03445	4.0
59.05009	1.8
61.02929	8.0
67.05511	1.8
69.03429	13.2
70.06597	1.8
71.04975	3.8
71.75047	1.5
73.02905	3.5
79.05515	7.6
81.03411	4.9
81.07078	2.7
81.79770	1.3
83.01347	1.6
84.08121	2.8
85.02905	85.3
91.03941	3.8
91.05485	19.1
93.07046	63.0
95.04961	5.0
95.08595	6.9
97.02891	15.9
99.04462	4.2
101.02402	1.5
104.37540	1.3
105.04444	1.6
105.07016	6.5
107.04911	1.5
107.08596	100.0
109.02895	8.4
109.06528	4.2
115.03899	2.2
127.03918	22.0
134.78589	1.4
135.11693	68.8
136.07651	2.7
137.05994	1.6
145.04959	59.7
154.71071	1.6
163.06006	26.5
167.07030	1.7
173.75418	1.4
185.08110	2.0
188.10704	1.5
191.10713	2.4
210.14967	2.1
262.18091	1.9
325.11154	7.3
331.13867	2.6
402.52652	1.4
476.19299	1.5
492.67023	1.8
494.22110	11.3
494.31445	11.6
495.31808	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01875	6.9
55.05515	8.6
57.03440	5.0
57.07082	2.3
61.02938	3.1
67.05504	15.0
68.99793	2.9
69.03432	28.8
69.07060	10.4
69.19838	4.9
69.20249	5.6
71.04987	6.4
73.02924	5.1
79.05499	3.1
81.03412	18.4
81.03767	1.7
81.07055	17.2
83.04996	5.6
83.08607	7.1
85.02905	66.7
85.06548	4.8
87.00832	26.0
91.05510	5.0
93.07040	13.6
95.04960	3.8
95.08614	27.7
97.02899	19.6
97.06540	4.2
99.04452	10.0
99.08090	2.8
102.05532	9.3
105.01870	27.6
105.07015	13.0
107.08592	18.6
109.02886	15.1
109.06523	7.3
109.10162	48.5
111.08089	5.7
115.03915	11.5
117.01852	2.4
119.08585	32.1
119.09418	2.3
121.10145	18.3
123.08070	8.1
123.11714	8.9
125.06033	2.8
125.09645	2.7
127.03923	34.6
127.98879	1.8
129.07059	1.7
129.09131	2.1
129.98859	1.8
133.04999	2.4
133.10139	26.9
135.08002	1.9
135.11691	53.8
136.11967	2.3
137.09570	10.0
138.32137	2.3
139.11256	2.7
143.07036	3.0
143.08571	1.9
145.04944	17.2
147.11714	7.8
149.13275	7.0
151.07558	3.9
151.11188	5.1
151.14789	9.5
159.02919	5.0
165.09065	1.8
165.12866	2.7
165.16451	4.1
175.14818	35.0
177.16449	4.0
183.10214	2.5
187.14871	1.8
193.12263	5.3
193.15889	93.2
194.16220	3.1
195.17516	6.8
211.16933	100.0
229.18108	1.7
231.05054	6.6
249.06187	3.9
277.09076	4.1
297.16989	2.9
301.17838	4.1
314.23132	4.6
319.19119	2.8
378.41022	2.0
423.20258	3.5
441.21127	2.3
450.24686	1.8
476.28146	2.5
478.03210	1.9
494.22702	3.3
495.18143	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	494.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95494	1.1
53.03949	2.0
55.01886	1.7
55.05513	8.5
57.03439	2.2
59.74526	0.9
61.02942	1.7
67.05506	7.1
69.03437	9.3
69.07073	4.9
69.27544	5.9
71.05000	3.4
73.02917	2.1
74.08986	1.1
79.05487	3.5
81.03420	8.4
81.07065	7.1
83.04993	4.5
83.08623	5.2
85.02904	23.2
85.06537	7.8
87.00827	10.1
87.04451	1.7
91.03968	1.3
91.05480	1.3
92.84078	1.0
93.07046	11.6
95.04984	8.7
95.08607	17.0
96.35330	1.0
97.02905	8.4
97.06535	1.8
98.23443	2.0
99.04462	7.1
99.08097	63.3
100.08406	1.3
101.06020	3.0
105.01865	7.4
105.07061	4.3
107.08614	10.0
109.02873	9.7
109.10155	23.4
111.08100	2.2
111.11658	1.3
113.06026	1.3
115.03905	1.4
119.08593	6.0
121.10133	6.5
123.08035	1.7
123.11729	4.4
125.09627	4.5
127.03918	15.9
129.01875	1.1
133.10141	12.5
135.10735	2.0
135.11696	16.3
137.09624	9.9
139.11194	1.3
145.04958	6.4
147.11700	1.2
149.13251	2.2
151.11183	1.8
151.14870	3.2
153.12758	3.6
155.10670	13.3
159.02921	3.7
165.12755	1.2
165.16383	1.5
175.14830	9.5
193.15881	40.6
195.17412	1.1
211.16931	100.0
212.17317	2.4
217.98451	1.1
231.04990	3.0
249.05972	2.0
261.56076	1.1
349.52139	1.2
394.24680	1.4
423.20493	1.6
459.22284	39.3
460.22525	2.2
494.21844	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	494.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05287	1.9
55.05506	10.1
55.45356	1.9
57.03449	3.8
67.05503	12.1
69.03437	12.1
69.07074	20.4
71.04996	8.5
71.10566	1.9
73.02949	2.1
79.05492	7.6
81.03423	8.8
81.07066	16.8
83.08628	9.2
85.02905	19.9
85.06548	5.7
87.00848	7.9
91.05489	7.2
93.07063	16.6
95.04974	5.1
95.08611	24.3
97.02911	10.3
97.06541	12.8
97.10134	2.0
99.04484	8.7
99.08104	2.3
105.01877	8.0
105.07045	9.7
107.08609	24.1
109.02891	6.3
109.06532	9.6
109.10169	37.3
111.08162	3.9
111.11735	4.1
115.03947	4.3
115.07615	6.5
119.08565	16.3
120.94444	1.9
121.10143	16.2
123.08070	5.0
123.11716	11.5
125.09627	3.5
127.03968	13.1
127.11201	6.7
127.98995	1.9
128.58244	1.7
133.10129	29.6
135.11694	37.2
135.12643	3.3
137.09651	9.8
137.13280	2.5
145.04968	8.6
147.11697	4.0
149.13281	8.5
153.12788	6.8
159.02934	3.7
165.09154	2.9
165.12801	3.3
167.07156	3.2
173.05823	2.1
175.14833	49.6
177.16396	38.0
181.32794	1.9
183.13814	2.1
188.90909	1.8
193.15884	64.7
194.16309	2.3
196.11325	2.0
209.11894	2.6
209.15460	2.9
211.16949	100.0
212.17305	2.3
224.14424	5.6
229.14305	3.2
231.05022	2.5
252.13863	6.9
297.16873	2.9
351.18280	7.4
396.18109	3.2
494.21777	70.9
494.30325	5.0
495.22177	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	494.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.3
57.03441	18.3
67.05505	16.9
69.07069	10.2
70.61621	1.8
72.08163	17.8
73.08490	2.9
75.04481	11.4
79.05510	5.3
79.58027	1.8
79.84410	1.6
81.07047	17.8
83.08631	4.7
91.05473	2.5
93.07070	9.6
95.08617	13.2
97.06595	1.9
97.10242	2.0
98.23536	3.1
98.98471	3.8
103.03963	3.4
107.08613	4.8
109.10173	5.7
116.70356	1.9
120.08121	37.6
120.08919	1.3
121.08458	12.5
121.10189	5.3
155.01045	2.0
173.02136	1.9
198.05464	2.8
219.14874	4.6
220.15311	3.0
247.14386	3.5
248.14838	4.4
261.22308	3.0
268.15457	2.0
296.14713	2.8
353.26852	100.0
354.27164	3.1
395.21454	2.2
463.44699	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	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05508	1.3
56.05032	0.9
58.06598	1.3
60.08167	13.4
67.05493	1.0
69.07071	2.1
70.06581	1.0
70.53634	0.9
71.07369	5.4
79.05467	0.8
81.07052	0.9
86.09705	42.4
88.07640	0.9
90.16759	0.5
91.05488	0.6
91.72954	0.6
93.07041	1.2
95.08618	0.8
98.98479	2.7
102.09200	0.7
104.10742	60.6
125.00008	25.7
125.00945	1.3
149.02374	1.3
184.07339	100.0
185.07686	0.9
193.05000	1.8
237.07555	1.9
258.10980	0.8
284.29486	1.6
311.25882	1.5
392.18286	0.7
476.31366	5.9
494.20596	0.9
494.32437	23.6
495.32608	1.1
500.13187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.03426	0.5
57.07092	0.7
58.88427	0.4
60.08166	5.8
64.43496	0.6
67.05500	0.5
69.07067	0.5
69.75394	1.5
70.06587	1.3
71.07372	2.1
71.08604	0.6
75.69510	0.5
80.81290	0.4
86.09710	29.6
88.07627	0.7
97.10114	0.5
98.22658	0.7
98.98463	2.7
102.09168	0.7
104.10754	3.1
116.24306	0.4
125.00012	20.2
149.02344	3.8
150.02794	0.4
170.27776	0.4
184.07344	100.0
185.07738	0.9
193.04994	3.2
237.07529	2.4
284.29459	1.8
296.96619	0.4
476.31317	0.9
494.34525	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	494.3247
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.48104	0.4
55.05509	2.4
56.05023	1.3
57.03427	0.9
57.07061	0.7
58.06612	1.2
60.08164	18.2
65.34176	0.4
67.05500	1.7
69.07064	2.6
70.06613	0.4
71.07376	6.7
71.43566	0.4
79.05496	1.5
81.07063	2.7
83.08615	1.8
86.09708	53.8
87.10046	0.6
91.05444	0.5
93.07047	1.5
95.08597	1.7
97.06503	0.5
97.10141	1.0
98.98472	3.9
104.10743	100.0
105.11066	1.2
107.08576	0.8
111.08035	0.7
121.10126	1.2
125.00005	30.1
135.11671	0.8
149.02296	0.9
176.94250	0.4
181.02556	0.5
184.07341	98.4
185.07719	1.1
193.04886	0.6
212.22624	0.4
237.07581	0.8
258.11136	1.0
311.25772	1.2
349.18732	0.5
364.99329	0.5
403.19260	0.4
476.31384	8.5
494.32416	34.8
495.33130	2.0
502.60953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79269	0.7
52.84032	0.8
57.07085	5.1
58.06588	1.1
65.03950	1.4
69.73219	2.8
70.06588	16.8
71.08636	2.2
77.59203	0.8
85.02474	0.8
85.10176	1.2
88.07629	19.9
91.05477	0.9
102.09173	13.8
111.90693	0.7
132.31898	1.0
135.08069	0.8
149.02353	46.8
149.03445	3.7
159.93825	0.8
193.04967	45.6
194.05263	1.1
237.07585	54.3
238.07864	1.1
245.63110	0.8
284.29495	40.8
285.29825	1.8
328.32071	1.2
386.26331	0.8
409.14294	1.4
435.19150	0.8
453.16855	1.2
494.34775	100.0
495.35382	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	495.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	9.3
59.07925	0.5
66.42024	0.6
70.06590	1.5
84.96030	5.0
86.09697	1.3
98.97587	100.0
110.07216	0.7
110.97582	5.4
116.98627	34.4
124.90393	0.5
124.99153	1.0
128.98593	2.6
134.99669	5.6
138.94099	0.7
143.00188	0.6
146.99670	1.9
155.00134	6.1
157.01898	0.9
158.99657	37.1
161.01210	1.1
163.03976	0.6
170.99652	2.5
171.03310	0.8
173.01236	21.7
175.02821	1.8
177.00726	25.5
181.05028	1.7
182.99689	0.7
187.02774	1.5
189.00740	4.7
189.04364	0.8
189.12245	1.1
191.02283	14.0
193.00323	0.6
195.01805	1.1
201.00723	4.5
207.01796	2.5
209.03362	1.0
213.00758	2.4
213.04440	0.9
215.02293	4.4
219.01775	20.6
231.01775	26.9
233.03375	2.0
237.02795	8.1
243.01831	1.8
249.02861	11.1
261.02829	11.4
261.07013	0.7
265.31381	0.6
271.04889	1.0
273.02829	53.3
274.03094	0.7
279.03958	6.6
289.06003	0.9
291.03891	12.5
299.04434	5.3
303.03925	3.7
303.07129	0.7
309.04761	0.7
315.03625	0.7
317.05457	2.8
321.05096	2.9
321.08344	0.8
327.04227	1.3
333.04941	9.3
333.08713	0.9
335.10083	0.7
345.04968	12.3
351.06042	10.7
354.05350	0.8
357.04993	5.5
363.05978	7.7
375.06012	6.2
381.06918	1.2
393.07166	1.4
417.07062	2.7
435.08401	1.7
477.09018	1.8
494.30994	1.1
495.10556	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	495.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84899	0.6
58.29355	0.7
70.45546	1.0
70.45896	1.5
90.16619	0.7
94.92981	1.6
98.97577	6.1
116.98631	1.5
146.36485	0.7
158.99599	3.4
177.00728	1.3
181.05034	0.7
219.01859	1.1
231.01756	1.8
256.34097	0.8
258.93790	2.7
261.02753	1.4
273.02802	2.9
274.91254	7.6
395.67993	0.9
477.08884	1.1
494.88751	5.5
495.10989	100.0
496.11426	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	495.1628
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
53.66091	0.4
58.71570	0.3
60.04522	1.5
60.05644	0.4
69.04562	0.7
69.59186	0.9
69.59580	1.0
70.06599	0.9
74.83957	0.3
81.04538	2.0
82.05312	0.5
84.04509	0.8
85.03997	0.5
98.23428	0.8
98.97579	2.7
110.07155	0.9
110.97572	0.4
116.98609	1.2
126.05531	0.5
128.98633	0.4
137.06018	0.4
158.06029	0.4
158.99663	0.9
170.06030	1.6
180.06830	1.1
186.05566	0.5
189.00777	0.4
197.07141	1.1
207.05956	0.8
207.07877	5.0
208.06348	2.6
209.07147	4.5
210.08006	0.7
212.08328	1.9
217.06108	0.8
219.01898	0.6
220.08765	1.0
225.08995	1.5
226.09785	1.1
231.01981	0.5
234.04333	0.4
234.06567	0.8
235.05164	0.5
235.07376	10.1
235.09552	0.7
236.05869	1.0
236.08174	17.1
237.02879	0.6
237.06619	4.0
237.09027	11.6
237.67078	0.4
238.06210	0.9
238.09711	2.3
251.09293	1.3
252.07703	4.7
252.10049	0.6
253.08484	3.2
254.09209	2.8
260.08139	0.5
262.06235	0.7
262.09818	0.8
263.04608	2.1
263.06952	0.5
264.07602	0.4
267.06323	0.6
273.02853	0.5
274.09674	0.7
278.09424	0.5
279.03967	0.7
280.57166	0.4
281.07922	1.8
282.08630	1.8
290.09421	0.9
299.11307	0.7
317.10339	1.5
318.08798	1.2
319.11932	0.5
321.05121	0.5
333.09644	0.5
344.06537	0.4
353.12643	0.5
381.14203	0.4
386.12601	0.7
387.11017	1.3
392.14038	0.4
394.15228	1.4
399.07788	0.7
403.10419	0.6
404.13367	2.9
405.12143	1.7
406.14954	0.8
409.13754	0.7
414.11948	0.7
415.10358	8.4
419.14661	1.2
421.16068	0.9
422.14511	0.9
431.14691	1.2
432.13019	1.3
433.11411	8.6
433.17102	0.5
435.11829	0.5
449.15720	5.8
450.14249	2.9
451.17310	0.8
467.16782	0.7
477.15195	5.2
494.31018	0.5
495.16299	100.0
496.16592	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.246
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
62.98259	6.6
67.05518	0.6
69.07048	0.4
71.35305	0.3
73.75974	0.3
81.07044	0.3
89.06019	0.9
95.08618	0.4
112.99994	0.5
120.88013	0.3
124.93774	31.6
133.08589	0.6
142.94810	0.4
156.96381	51.3
167.86465	0.3
182.97821	0.3
191.00803	0.7
197.99048	0.5
198.97441	1.2
212.98969	5.6
231.00018	0.5
233.28261	0.3
283.17661	0.6
306.77115	0.3
327.22842	1.4
339.28891	1.6
463.22015	9.8
463.28738	0.5
464.22223	0.5
495.24582	100.0
496.24945	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
53.03934	2.9
55.05512	21.8
57.03180	0.8
57.03439	13.4
57.07072	0.6
59.05000	1.3
65.03937	2.4
67.05505	35.5
69.03435	4.2
69.07068	7.6
69.23949	2.8
71.01346	0.8
71.04628	0.7
71.04994	8.3
73.02906	0.7
77.03917	1.3
79.05493	35.5
81.03416	88.1
81.07056	35.7
82.03744	0.8
83.04981	17.9
83.08620	32.1
84.30930	0.5
85.02905	46.7
85.06550	3.2
87.04458	0.6
88.43581	0.5
91.05479	46.4
92.05860	0.5
93.07045	24.1
95.04968	37.4
95.08606	13.3
97.02900	4.0
97.06535	6.0
97.10165	4.9
99.08105	1.8
102.49725	0.5
103.05489	1.0
105.04523	2.2
105.07029	32.6
107.04968	8.3
107.08591	8.9
109.06512	6.1
109.10155	4.4
111.04443	4.0
111.07319	0.7
111.08086	13.8
113.06005	3.8
115.05450	1.9
116.06252	1.0
117.07017	3.0
117.09546	0.5
119.04920	0.8
119.08580	29.0
120.08894	0.6
121.06511	1.5
121.10144	11.6
122.88367	0.5
123.08067	3.4
123.11716	1.8
125.05975	0.9
125.09614	2.7
127.07605	0.6
128.06216	0.8
129.07005	15.7
131.08566	15.5
133.06516	4.2
133.10123	14.3
135.08025	0.9
137.09608	2.7
142.07764	4.3
145.10106	2.7
147.08025	4.5
147.11684	19.6
149.09636	7.9
149.62585	0.5
151.07622	0.5
151.11198	1.0
155.08636	0.7
157.10123	17.8
163.11156	0.8
165.12737	4.2
175.11185	19.6
182.28868	0.5
183.13765	0.5
189.11121	0.9
189.12677	0.5
193.12241	77.1
194.12584	1.6
211.13286	100.0
212.13637	1.9
249.14719	0.5
267.15915	9.6
268.16544	0.5
285.17029	4.0
309.99591	0.5
367.22739	0.9
385.23816	1.0
459.27191	2.3
460.27744	0.9
477.28439	5.3
495.29501	99.6
496.29764	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26810	1.4
51.48418	1.5
53.03946	5.3
55.01878	4.3
55.05511	26.2
57.03437	17.3
59.04987	1.9
61.02932	6.4
65.03951	3.4
67.05505	44.9
69.03430	8.2
69.07068	11.3
69.12254	5.5
69.12677	4.3
71.01367	1.8
71.04987	9.1
73.02934	4.0
79.05490	48.4
79.05939	2.5
81.03418	81.5
81.07056	48.5
82.03757	2.2
83.04980	19.4
83.08623	32.5
83.09092	2.0
85.02907	49.5
85.03403	2.6
85.06545	3.2
91.03983	2.1
91.05482	57.1
93.07045	40.3
95.04961	40.8
95.05507	2.4
95.08604	19.6
97.02869	8.0
97.06528	8.7
97.10176	9.0
99.04465	1.7
99.08120	2.4
103.05482	2.1
105.04563	2.2
105.07030	44.9
105.07722	2.3
107.04941	12.0
107.08587	16.7
109.06512	13.9
109.10159	7.5
111.04449	5.0
111.08088	18.1
113.06031	3.2
115.05475	4.4
117.07030	9.1
119.08578	33.5
121.06535	6.1
121.10144	15.9
123.08096	4.8
123.11735	3.4
125.09696	5.1
127.03928	1.6
128.06270	2.2
129.06998	20.3
131.04955	2.0
131.08566	23.2
133.06523	5.2
133.10126	23.1
135.08124	4.3
135.11745	4.4
137.09651	3.6
141.07076	1.7
142.07837	6.6
143.08615	4.5
145.06503	2.0
145.10112	9.2
147.08134	5.3
147.11681	25.0
147.12700	1.9
149.05984	1.7
149.09613	11.3
149.13313	3.4
151.11200	2.9
155.08598	3.1
157.10126	20.0
157.11221	1.8
159.11754	3.7
161.13301	2.0
165.09241	1.4
165.12801	4.2
169.10158	2.5
171.11731	3.1
173.13301	2.0
175.11195	25.6
177.12769	1.5
187.11194	2.8
191.14392	2.6
193.12241	74.4
194.12581	1.7
211.13287	89.3
219.13918	4.9
257.19159	2.1
259.15649	2.4
259.20618	2.0
267.15909	30.3
281.00839	1.7
285.16968	10.1
300.41946	1.7
303.86963	1.7
321.21954	1.8
333.24490	4.7
349.21609	2.5
367.22903	5.6
375.25369	2.2
385.23801	4.3
403.24960	6.0
421.25839	2.8
441.26556	5.5
459.27423	16.3
460.28110	2.4
477.28592	17.8
478.29034	2.3
495.29791	100.0
496.29752	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	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05512	20.5
57.03440	13.9
57.07069	1.2
59.04998	1.2
65.03947	2.6
67.05504	34.9
69.03439	5.6
69.07075	8.3
71.01337	0.8
71.04630	0.6
71.04994	7.4
77.03933	1.4
79.05497	33.7
80.05819	0.6
81.03419	84.2
81.07058	39.0
82.03741	0.7
83.04985	17.4
83.08115	1.1
83.08623	29.3
85.02908	42.7
85.06537	2.2
87.04479	1.1
90.57978	0.6
91.05484	45.7
93.07048	24.0
93.07492	0.3
95.04971	33.9
95.08609	14.8
97.02897	4.5
97.06532	5.5
97.10178	4.6
99.04453	0.7
99.08092	1.6
103.05456	0.7
105.04509	1.9
105.07034	34.2
106.07356	0.7
107.04971	6.1
107.07915	1.0
107.08595	11.5
109.06518	6.8
109.10149	4.1
111.04447	4.5
111.07314	0.9
111.08088	15.3
113.06037	4.3
115.05448	1.6
117.06998	2.7
119.04941	1.0
119.06062	0.7
119.08588	26.2
120.08876	0.6
121.01924	0.5
121.06479	2.1
121.10147	13.4
123.08054	3.7
123.11702	3.0
125.09624	1.7
128.06236	0.9
129.05542	0.7
129.07011	17.2
131.08572	16.7
133.06496	3.6
133.10136	14.9
135.11676	1.0
137.09596	2.9
137.13327	0.8
142.07787	4.4
145.10132	2.3
146.06001	0.7
147.08066	4.3
147.11684	18.8
149.09598	7.3
151.11223	0.7
154.97292	0.7
157.10127	19.3
163.11197	1.2
165.12750	3.9
175.11194	19.8
189.11273	0.8
193.12251	75.8
194.12595	1.7
211.13295	100.0
212.13690	2.7
242.43806	0.6
249.14905	1.1
267.15918	16.1
285.16934	6.2
367.22519	1.3
385.23584	2.1
393.83182	0.6
403.24854	0.8
416.40894	0.6
459.27377	6.0
477.28619	8.1
495.29593	95.4
496.23279	1.1
496.29843	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	496.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
57.39951	0.8
59.04995	0.9
61.02900	0.6
69.03427	11.1
75.04476	0.8
81.03416	1.7
84.77251	0.6
85.02905	6.7
87.04470	6.5
95.87881	0.7
97.02899	7.1
98.22721	1.9
108.86462	0.8
109.06540	0.7
110.03661	4.6
111.04434	1.0
115.03925	9.2
123.04314	0.7
125.05989	16.6
127.03890	1.0
133.04976	9.2
139.03897	3.1
145.04964	1.0
150.07645	1.3
152.04787	0.8
153.05463	38.5
154.06236	11.3
155.32368	0.6
163.03839	0.8
166.06241	1.7
167.07008	6.2
169.04996	0.7
170.05711	6.5
177.05464	0.7
178.06242	4.2
181.08595	1.0
182.05753	4.7
185.08087	100.0
186.08423	1.1
192.07747	1.2
194.05739	9.7
195.06477	1.8
197.08076	6.9
202.87894	0.6
209.06128	1.3
209.08076	21.0
220.07146	0.8
221.08101	2.0
222.38107	0.6
227.09143	14.3
235.09641	1.0
236.07066	0.8
251.09161	5.3
263.09155	4.5
281.10175	14.4
299.11234	2.8
311.11154	1.4
317.12415	1.2
344.14453	0.6
452.13992	0.7
496.25894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01879	0.7
57.03427	0.5
57.07076	1.5
57.87725	0.3
59.04997	1.0
67.05508	1.5
69.03424	2.1
69.07064	2.4
69.12921	0.3
69.13239	2.1
70.02946	1.6
70.06608	0.5
72.04511	5.0
73.02940	1.6
74.02443	0.6
81.03414	1.2
83.05006	0.6
85.02900	5.1
85.06548	2.8
86.09691	0.8
87.04478	0.9
87.08111	1.1
87.83131	0.3
90.05551	41.5
91.03976	0.4
95.04972	2.8
96.08147	0.5
97.02908	1.7
98.02401	5.5
99.04469	0.6
100.03986	0.9
103.07581	2.1
107.38121	0.3
109.02898	0.8
112.07628	0.4
113.06000	1.0
114.09135	0.4
115.03938	1.6
116.03455	5.8
124.07590	6.9
127.03896	2.3
132.10204	0.5
133.04915	0.5
142.08633	3.7
145.04968	1.3
156.10161	0.6
160.09689	1.1
166.08658	1.0
167.10658	0.5
174.11249	0.9
184.09679	9.1
184.11258	0.6
185.11743	0.5
202.10732	15.6
203.09129	0.3
220.11792	100.0
221.12141	1.4
259.08344	0.3
328.51932	0.4
334.25772	0.4
395.00403	0.4
440.07797	0.3
496.19839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03425	2.3
57.07069	2.1
59.04986	2.1
61.02928	1.4
67.05502	1.6
69.03434	11.3
69.07061	2.4
70.02950	2.2
70.06577	0.8
72.04523	6.1
73.02910	2.6
79.05490	0.5
81.03417	1.7
81.07052	0.7
83.04973	1.3
85.02909	12.2
85.06564	3.7
86.09682	0.9
87.04479	6.3
87.08091	1.0
90.05561	45.3
91.03996	0.7
93.07047	1.1
95.05011	2.6
95.08604	1.5
96.08136	0.6
97.02904	9.2
97.06538	0.9
98.02409	6.8
99.04460	0.9
100.04024	1.0
103.07584	3.0
105.07011	0.6
107.04962	0.8
107.08566	1.3
109.02883	1.6
113.06000	2.3
113.73054	0.6
115.03937	13.3
116.03454	6.3
121.10147	9.1
123.11723	1.2
124.07598	6.8
125.06084	0.7
125.09647	0.6
127.03941	3.6
131.07100	0.7
133.04979	10.3
139.11179	3.3
142.08662	3.5
145.04912	3.3
145.26859	0.6
149.09627	9.4
150.07591	0.9
160.09738	0.9
166.08618	0.9
167.10689	13.7
174.11209	1.2
180.08743	0.7
184.09673	8.5
185.11700	0.6
202.10745	18.3
203.09135	0.8
220.11809	100.0
221.12059	0.9
232.16994	0.6
258.38333	0.5
259.08267	0.7
277.09134	0.8
281.13788	0.9
333.33823	0.6
496.20221	0.8
497.19156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
61.02917	0.8
62.45344	0.3
68.05009	0.7
69.03422	2.5
69.83107	1.0
70.06593	2.2
71.04971	0.4
80.05008	1.8
81.03401	0.8
81.84396	0.3
82.06567	1.1
83.07336	0.5
84.08141	2.4
85.02901	4.1
95.08606	0.6
97.02902	1.9
105.07059	0.4
106.06554	4.2
108.08125	0.4
109.02872	0.6
118.06551	0.6
120.08096	1.0
122.09634	0.6
123.04417	0.6
127.03899	0.5
133.06493	0.6
144.08102	0.4
145.04924	0.3
148.07603	0.5
149.05984	0.3
151.07559	0.5
160.07573	0.6
172.11259	1.9
176.10739	0.5
190.12280	1.1
200.10727	1.8
218.11777	9.9
219.12354	0.4
236.12804	100.0
237.13120	2.0
316.15463	4.2
334.16473	25.1
335.16965	0.4
398.17938	0.7
454.13440	0.4
496.21680	0.9
511.81467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11576	0.3
50.77266	0.4
55.01863	0.6
55.05503	0.6
57.03411	1.0
61.02899	1.5
63.54581	0.4
67.05477	1.2
68.05009	0.8
69.03078	0.4
69.03428	6.4
69.80054	1.2
70.06567	1.5
71.04984	0.5
72.08134	0.8
73.02901	0.7
76.02100	0.3
79.05495	1.9
80.04987	1.4
81.03390	1.4
81.05753	1.1
81.07056	2.7
82.06590	3.2
83.04936	0.4
83.07363	1.8
84.04469	0.4
84.08147	6.1
85.02914	4.4
87.04447	0.6
91.05455	1.3
93.07042	0.8
94.06546	0.7
95.08614	1.9
96.04459	1.3
96.08131	0.6
97.02347	0.5
97.02897	7.3
98.06029	1.0
99.04427	0.5
100.07614	2.6
105.07003	0.9
106.06532	1.2
107.08601	2.5
108.08096	0.6
109.02851	0.7
109.06526	0.5
109.08887	0.9
110.05997	0.3
110.09675	0.8
111.04435	0.7
117.05689	0.4
117.07005	1.4
118.06538	0.9
120.07348	0.5
120.08111	7.0
121.06523	0.4
121.08838	1.5
122.05990	1.6
122.06745	0.3
122.09676	1.9
123.04404	1.3
123.08079	0.5
124.11253	1.9
125.09621	3.2
126.09109	0.4
127.03903	1.1
130.06538	0.5
132.08096	2.1
134.09659	2.1
135.08049	3.6
136.07518	1.3
136.11139	0.6
137.05933	0.9
137.08336	0.4
144.08070	0.7
145.04961	0.4
145.08820	0.4
146.06007	0.6
146.09625	1.0
147.10350	0.5
148.07550	0.9
148.11253	0.7
150.09128	0.7
151.07523	1.0
152.10616	0.9
153.09143	1.9
158.09634	1.1
160.07576	1.0
160.11171	1.4
162.09108	1.6
162.12668	1.0
164.07028	0.7
166.08626	0.5
170.09592	1.0
171.10339	1.3
172.11214	2.6
173.11945	0.6
174.12785	3.5
176.10701	0.5
180.10202	1.4
184.11211	1.2
186.09181	0.4
187.09894	0.5
188.10742	0.8
190.12277	7.9
192.13785	0.7
200.10709	1.8
201.11392	0.3
202.12270	4.0
204.10300	0.4
208.13248	2.6
218.11755	5.3
219.12500	1.5
220.13319	19.7
221.13779	0.5
224.14326	0.7
236.12805	51.8
237.13234	0.7
242.15231	0.4
248.13676	0.5
252.13745	0.6
260.16592	0.6
270.14893	21.4
271.15259	0.4
272.16449	8.6
284.21994	0.4
288.15945	1.6
298.14401	2.4
304.30634	0.4
316.15466	10.5
316.60645	0.3
318.17017	5.2
334.16486	16.0
344.26953	0.4
398.18076	3.9
495.32285	0.6
496.21768	100.0
497.22375	3.2
497.33539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34219	0.8
55.01883	0.8
64.67234	0.7
70.61382	0.8
70.61727	1.6
78.04716	2.0
79.05511	2.0
84.08150	0.8
89.92138	0.8
91.05497	1.1
96.64392	0.8
103.05469	1.9
105.07036	4.1
106.04192	1.3
107.04973	1.1
109.06451	0.8
110.17038	0.8
121.06509	1.4
123.04442	4.2
124.05204	1.7
133.06499	2.3
135.04424	1.2
135.08084	1.8
149.09607	0.9
150.06746	11.4
151.03914	1.8
161.05972	1.6
164.08270	1.0
165.09114	14.5
167.07036	100.0
168.07408	2.7
175.18843	0.8
177.05516	1.1
179.10675	4.4
181.08627	3.4
193.08594	5.7
235.11205	1.5
238.09845	1.9
247.11333	1.0
249.09227	1.3
252.11502	1.4
253.08661	1.9
253.12323	1.0
254.09190	1.1
261.09137	1.0
263.10654	2.2
264.11380	2.2
269.11725	3.3
274.97440	1.3
279.10016	1.1
280.10919	3.1
281.11819	4.5
283.13089	4.1
292.10794	1.2
292.19003	3.9
293.11758	1.5
295.13269	15.6
307.13403	4.8
317.17484	12.5
325.14462	5.4
398.15283	0.9
401.47342	0.9
461.19720	7.5
467.61337	0.9
467.69028	1.0
495.32407	1.2
495.66461	0.9
496.20474	1.3
496.26663	1.5
496.32642	1.4
497.26886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01871	1.3
55.05511	3.7
57.03431	1.4
57.07076	1.4
59.04999	2.1
61.02924	1.7
61.07197	0.3
67.05512	1.2
68.99811	0.5
69.03429	6.0
69.07072	1.2
71.04996	5.6
73.02920	1.3
73.06558	4.2
81.02969	0.6
81.03420	5.1
81.07066	2.9
83.07381	0.4
83.08630	1.3
85.01402	0.4
85.02914	16.5
87.00831	6.1
87.04498	0.4
88.52505	0.4
89.06002	0.5
91.03972	0.6
91.05524	0.5
93.07033	0.4
95.08606	1.1
97.02903	7.0
97.06560	0.4
99.04461	2.1
103.15041	0.5
105.01865	5.1
105.07045	0.9
107.08595	0.7
109.02877	4.7
109.10166	4.3
110.10456	0.4
115.03943	0.5
117.01902	0.5
121.06521	0.5
121.10159	0.6
123.08087	0.8
127.03925	9.8
127.11199	100.0
128.04333	0.4
128.11523	1.7
129.01837	0.9
137.13301	0.6
145.04977	5.3
145.12236	7.9
147.02840	0.5
151.07536	3.5
159.02916	3.1
159.11865	0.4
163.05943	0.5
165.09106	1.4
191.10667	1.5
195.11774	1.4
205.12219	0.7
213.04028	0.5
213.09137	0.5
213.12796	0.9
213.14839	0.9
213.18402	0.8
231.05002	2.2
231.15912	13.7
232.16344	0.7
287.62384	0.4
335.09848	0.5
402.88135	0.4
425.30426	0.6
429.40204	0.4
488.25259	0.5
496.22815	0.8
496.29315	0.4
497.19611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02380	1.1
53.03943	4.3
55.01875	2.0
55.05507	5.4
56.05857	1.7
57.03431	6.5
57.07088	2.5
60.70894	1.3
60.98777	1.2
61.02924	4.7
67.05508	9.5
69.03429	11.2
69.07072	7.3
71.01345	1.3
71.04984	3.4
73.02914	2.5
79.05498	15.2
80.05824	2.4
81.03428	6.2
81.07058	100.0
82.03765	1.3
82.07394	2.0
83.04997	2.8
83.08597	2.8
85.02906	62.5
85.06532	2.2
87.04434	1.6
91.03967	2.9
91.05463	6.0
92.05802	1.6
93.07047	8.2
94.07385	2.9
95.04974	4.6
95.08609	18.8
97.02888	14.5
97.06534	1.6
97.10189	2.4
98.92685	1.2
99.04446	4.0
105.07048	3.9
106.07379	1.4
107.04930	7.7
107.08578	5.7
108.05298	2.9
108.08928	1.9
109.02870	6.2
109.06523	13.6
109.10138	2.8
110.06847	4.3
111.08087	1.4
115.04007	1.3
117.06944	1.4
119.08574	2.3
121.06514	5.8
121.10141	5.0
122.06839	2.3
122.10484	2.2
123.08053	1.7
125.09664	2.7
126.80365	1.2
127.03918	18.1
129.06978	1.7
131.08571	2.7
132.08952	2.0
133.10144	2.2
135.08035	2.8
136.08412	2.0
137.13251	21.0
145.04964	38.3
145.10092	1.7
147.11714	1.5
149.09660	1.6
157.10143	1.2
163.06035	16.5
181.04955	1.5
191.14313	2.3
192.14749	1.7
195.17545	2.1
213.18617	1.4
219.13800	8.3
220.14093	7.1
259.15414	4.8
260.15768	4.4
293.17404	3.2
294.17804	5.0
325.11285	3.9
333.73941	1.4
368.23068	2.6
386.24069	2.9
388.93460	1.4
404.25031	3.1
460.27618	2.5
478.28738	6.4
496.23160	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	496.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01874	1.5
55.05520	1.9
57.03439	3.7
57.07071	3.5
58.63758	0.9
61.02934	6.1
67.05509	4.7
69.03433	9.7
69.07073	3.7
70.16609	1.1
70.16942	1.6
71.05015	2.3
73.02920	2.9
79.05497	8.7
79.41814	0.8
81.03439	4.9
81.07061	100.0
82.07388	1.2
85.02908	74.4
87.04486	1.8
91.03953	4.1
91.05501	1.4
95.08606	24.8
97.02895	16.0
98.97597	3.7
99.04445	4.3
109.02883	7.7
109.10159	2.8
115.03974	1.7
119.08598	0.9
127.03922	21.6
127.11233	1.2
131.08569	1.0
137.13258	29.5
145.04968	48.4
146.07144	0.9
149.02422	0.8
158.99716	1.0
163.06033	26.4
165.09082	0.9
177.00685	0.9
181.04973	1.0
213.12791	1.3
213.18341	0.8
232.75262	0.8
261.86493	0.8
271.08255	1.1
289.09137	1.4
311.10281	0.9
325.11295	5.3
334.29568	1.0
339.09805	1.6
371.12360	1.3
411.16882	1.4
453.17966	1.8
464.17917	1.8
479.16895	1.8
496.22696	1.3
497.17926	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.13323	0.2
55.05505	0.4
56.05042	1.3
57.03437	0.3
57.07072	3.2
58.06586	1.6
59.07380	0.3
60.08163	17.7
65.18500	0.2
67.05495	0.9
69.07063	0.4
69.38904	1.0
70.06583	0.4
71.07375	6.4
71.08630	2.2
81.07054	0.6
83.08616	0.5
85.10178	0.9
86.09706	51.8
87.10047	0.4
95.08598	0.7
97.10131	0.2
98.98466	3.5
104.10743	100.0
105.11066	0.5
109.10145	0.5
123.11711	0.3
125.00002	29.0
126.00359	0.3
143.01018	0.2
163.01569	0.7
181.02702	0.2
184.07339	93.1
185.07701	0.7
258.11002	0.9
313.27426	1.5
356.74081	0.2
367.88965	0.3
419.25467	0.3
478.32928	10.0
479.33572	0.3
496.33969	36.9
497.34198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54041	1.1
55.05510	5.3
56.86464	1.0
57.03429	3.6
57.07076	4.3
59.32923	1.0
59.67863	1.1
62.98254	4.1
67.05489	6.2
69.07076	8.7
70.93829	1.5
71.08636	2.5
79.05505	3.5
81.07054	7.5
83.08611	8.1
89.06031	45.5
93.07061	2.2
95.08600	6.0
97.10185	4.2
107.08586	1.6
109.10146	2.2
113.00009	14.2
121.10161	3.5
124.93755	16.9
130.08719	1.5
133.08595	31.3
133.09555	1.9
135.11679	2.8
156.96388	27.0
157.96840	1.6
169.02597	12.1
177.11212	12.8
187.03647	2.0
195.12325	2.4
212.99042	3.1
221.18158	1.1
239.14890	1.9
283.14859	0.8
283.17505	58.9
339.28931	93.5
340.29355	1.8
433.27222	2.0
464.22311	5.8
496.24927	100.0
497.25293	4.9
502.95068	1.2
523.74805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.4
57.03428	0.2
57.07076	0.7
58.06625	0.5
59.07396	0.2
59.74363	0.1
60.08161	6.5
67.05482	0.1
69.07072	0.1
69.38700	0.2
69.39107	0.3
70.06578	0.1
71.07368	2.6
71.08627	0.4
81.07038	0.2
82.43684	0.1
83.08597	0.2
85.10177	0.3
86.09702	30.1
86.68800	0.1
87.10032	0.1
89.06051	0.1
95.08598	0.3
98.98460	2.9
104.10735	3.2
114.97945	0.1
121.06573	0.1
124.99996	20.9
135.08014	0.1
143.01086	0.3
163.01520	0.2
166.02774	0.1
184.07330	100.0
185.07707	0.8
238.24873	0.1
239.10683	0.2
254.12959	0.3
258.11142	0.1
305.37637	0.1
308.33084	0.2
309.33539	0.1
313.27448	0.2
413.72910	0.1
478.32916	1.0
495.49728	0.1
496.22070	0.4
496.33896	3.5
497.34128	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	496.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05482	1.6
57.03438	6.7
58.06601	29.7
59.07383	9.5
60.08166	9.3
67.05504	4.7
69.07034	1.3
69.84875	0.8
73.02908	0.8
75.04487	3.8
79.05493	3.2
81.07054	3.9
83.08589	0.8
84.08117	1.1
85.02903	2.5
86.09686	0.8
87.04465	4.9
91.05483	2.4
93.05496	0.7
93.07044	3.2
95.04934	0.4
95.08620	2.9
97.06543	0.5
99.98505	0.4
100.11284	0.4
103.03922	0.6
104.10729	0.9
105.05481	1.1
105.07005	1.5
107.08575	1.2
109.10133	0.9
119.08559	0.7
121.06493	0.7
121.10133	0.7
125.00021	0.4
131.07076	2.3
131.08557	0.5
136.93100	1.7
144.10202	7.3
154.94171	3.5
159.06445	0.5
162.11247	4.0
172.95232	3.6
181.04961	1.2
184.07327	1.5
190.96294	1.0
210.96747	1.2
218.13812	0.6
228.97888	2.5
236.14925	100.0
237.15231	1.4
308.33371	0.4
317.11029	0.4
319.19345	0.7
337.20541	1.0
337.27484	0.7
355.28436	0.5
455.18652	2.0
473.19714	6.7
474.19998	0.5
478.35312	23.3
479.35449	0.6
496.21860	2.0
496.36337	73.3
497.23340	1.4
497.36673	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	497.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25042	0.3
69.03437	1.0
70.06607	0.8
70.81450	0.5
73.08919	0.3
81.03411	0.4
85.02915	0.7
97.06538	0.4
115.03924	0.4
127.03946	0.3
155.03186	1.0
167.10707	0.7
181.05014	0.4
185.04248	1.2
197.04251	0.5
220.11862	0.5
221.04239	1.2
221.08018	0.5
228.50761	0.3
295.05948	0.8
299.07397	15.1
323.05475	0.4
383.09399	1.3
403.80832	0.4
436.40802	0.4
490.01016	0.4
497.12662	100.0
498.13162	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	497.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13346	0.9
69.70268	1.3
69.70617	3.2
74.51283	0.9
82.99916	2.9
97.02897	1.0
98.23477	1.5
98.97592	2.1
101.00887	21.3
113.00881	5.9
116.98608	1.0
119.01922	36.6
124.99173	1.1
127.02440	3.1
129.03961	1.3
131.01917	19.2
133.03455	1.2
137.02980	2.3
139.02406	1.3
143.01906	25.1
143.02979	2.0
145.03458	12.8
145.56593	0.9
147.01335	1.2
149.02963	3.0
155.01891	21.5
157.03464	6.9
161.02974	20.9
163.04573	3.3
163.79491	1.0
167.01913	10.5
168.02121	0.9
169.03497	6.1
171.05037	3.1
173.02965	22.3
175.04591	1.8
179.01962	4.4
181.03394	1.1
185.02971	43.1
187.04521	15.6
191.04077	4.1
197.02939	18.6
197.04602	1.5
199.04529	1.3
203.04057	11.3
209.02988	1.4
211.04617	2.0
215.03995	75.7
216.04196	2.1
217.05644	1.2
221.03107	1.5
221.05139	3.1
227.03999	16.5
229.05606	1.4
233.05064	83.8
234.05446	2.8
239.04037	3.9
241.05493	1.8
243.07304	1.0
245.05080	100.0
246.05299	2.4
250.92139	1.0
251.03914	2.1
251.06201	1.5
257.05045	10.2
259.06720	2.0
263.06128	13.8
269.05060	7.3
275.06131	34.4
276.06314	1.0
287.06253	3.0
293.07147	6.9
299.06250	3.1
305.07150	10.8
317.07187	39.4
318.07523	1.3
335.08237	49.0
337.09680	1.1
365.09296	10.2
377.09607	1.4
497.13467	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94946	0.5
64.70715	0.5
65.01698	0.5
69.03426	2.4
70.06583	2.3
72.08158	0.7
73.02903	0.5
74.82731	0.5
81.03415	1.9
84.08121	0.8
85.02901	4.5
86.09714	1.2
87.04465	1.4
97.02903	0.9
99.04454	0.5
106.06556	1.0
107.04949	0.5
109.02898	0.7
110.07124	3.6
115.03933	1.3
115.05415	0.7
127.03897	1.7
127.08681	0.5
130.06548	1.0
131.04961	0.6
132.08080	1.7
133.06454	0.6
134.06015	22.6
136.07622	0.7
142.06436	0.6
145.04935	1.2
146.06009	2.2
148.07564	3.9
158.05965	3.4
159.06792	2.1
160.03920	0.8
160.07565	13.6
162.05499	60.0
163.05830	1.1
175.08672	5.2
178.13432	0.5
182.08772	0.5
186.05510	5.8
204.06557	100.0
205.06868	1.7
221.09206	37.2
223.15518	0.8
245.09164	0.9
246.07632	0.8
251.15025	0.6
263.10229	0.7
381.40024	0.6
423.15652	0.6
480.15073	3.4
497.17636	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87449	1.9
53.03933	4.2
55.01868	9.9
55.05292	2.7
55.05516	26.2
57.03436	33.7
57.07082	2.5
61.02929	62.2
65.03938	3.6
67.05508	100.0
69.03429	44.8
69.07079	20.2
69.11927	1.9
69.54895	7.9
69.55228	2.2
71.01345	7.7
71.04981	4.5
73.02917	28.9
78.34214	2.0
79.05499	66.2
81.03417	22.6
81.07061	91.7
83.04980	10.8
83.08620	10.6
85.02906	58.8
85.06534	4.3
87.04464	5.5
91.03967	35.4
91.05482	48.5
93.07050	62.5
95.04967	11.4
95.08609	71.9
97.02895	50.6
97.06534	6.5
97.10169	5.9
98.23472	4.0
99.04464	13.3
99.08062	2.7
101.02368	11.6
103.03956	9.0
105.04540	4.3
105.07038	35.2
107.04952	6.3
107.08600	38.0
109.02906	11.7
109.06517	6.5
109.10160	31.9
111.04445	5.0
111.08102	4.1
115.03917	5.1
117.07016	15.2
119.08599	28.1
121.06531	4.2
121.10154	30.0
123.08036	3.0
123.11731	8.6
125.09661	2.8
127.03908	21.0
129.05473	7.4
129.06996	6.2
131.08575	20.6
133.06514	3.8
133.10127	23.2
135.08061	3.1
135.11713	19.8
137.09645	3.4
137.13289	4.4
143.08536	7.1
145.04993	7.1
145.10152	20.4
147.08003	2.8
147.11650	14.9
149.09619	2.8
149.13229	15.7
152.99878	1.8
155.08578	3.1
157.10187	5.1
159.07991	2.3
159.11705	18.7
161.09624	3.6
161.13257	12.9
163.11203	3.3
163.14835	8.9
165.12730	2.9
169.10129	4.0
171.11783	5.2
173.13188	12.6
175.14828	4.4
177.12793	3.7
177.16356	2.1
183.06581	4.5
183.11766	3.8
185.13245	4.2
187.14830	6.0
199.14746	3.6
201.07579	4.3
203.57886	2.2
232.84225	2.4
243.21008	6.4
259.20584	5.0
261.22177	21.0
275.20007	2.2
285.22162	3.3
289.21732	2.2
291.22656	2.3
301.21558	3.9
303.23239	3.0
315.23328	3.8
317.24728	3.5
327.23090	4.8
335.25827	71.5
363.25244	3.8
369.24277	7.8
387.25339	3.6
405.26364	3.9
443.27798	5.1
461.29129	5.2
479.29910	8.3
497.31100	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	497.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04263	0.9
63.29795	0.5
66.43777	0.4
69.93365	1.5
81.04387	0.4
81.05291	4.0
81.07055	0.6
81.09272	0.5
90.63039	0.5
95.08568	0.6
98.23454	0.9
99.06326	15.4
99.06944	0.8
106.01871	0.5
108.14597	0.4
111.88763	0.4
217.79855	0.5
251.76755	0.5
331.28229	7.0
349.29251	27.6
350.29709	0.9
390.32220	0.6
397.70865	0.5
405.31818	2.0
423.32925	32.5
424.33295	1.9
466.32394	0.6
497.36624	100.0
498.37222	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	497.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	0.7
63.42963	0.8
69.43172	3.4
81.05307	2.4
89.41696	0.8
98.90167	0.7
99.06330	15.9
100.92727	0.6
110.99341	0.7
124.93768	1.3
149.24867	0.7
331.28210	4.9
349.29214	15.4
405.32068	1.2
423.28458	1.0
423.32925	32.8
497.36615	100.0
498.25705	1.7
498.37088	3.8
516.26630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01863	3.6
57.03437	6.9
61.02925	11.2
64.94280	1.3
69.03429	27.9
69.81046	2.7
69.81439	3.5
71.04984	1.8
73.02921	11.1
75.96720	1.3
77.47931	1.4
81.03415	16.3
83.01366	2.2
85.02904	100.0
86.03251	1.4
87.04462	20.4
91.03945	9.0
97.02888	28.6
99.04468	6.4
101.86718	1.4
103.03935	8.1
107.79813	1.4
109.02869	13.1
115.03117	3.5
115.03927	66.5
121.06499	15.2
127.03917	45.8
127.04859	2.1
133.04956	22.7
136.11186	1.9
145.04964	76.6
157.05003	2.3
159.04471	2.8
163.06078	5.8
170.85522	1.4
175.05969	2.4
182.11708	2.0
203.22137	1.6
217.07126	2.6
225.05380	2.8
241.04796	1.6
259.08060	12.9
271.06021	4.0
277.04855	2.7
277.09311	3.5
280.77325	1.5
280.80389	1.4
295.05917	4.7
305.53787	1.4
311.54471	1.6
313.06915	1.8
336.18381	1.9
461.46909	1.5
498.21902	1.8
498.31964	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60985	0.4
53.03938	0.7
55.01878	0.8
69.03432	2.9
71.05010	0.5
81.03411	1.7
84.08139	0.8
85.02902	4.1
87.00835	3.4
91.04931	1.0
91.05471	9.8
97.02895	3.2
98.23421	1.6
99.04446	0.9
105.01865	3.2
109.02894	3.7
112.26771	0.6
115.05476	0.7
122.09591	0.6
127.03912	5.1
128.06229	1.2
129.07019	2.9
130.06520	0.7
131.08524	0.8
137.06006	1.0
141.06981	6.0
143.08522	1.9
145.04947	1.2
145.10107	1.0
147.00420	0.5
153.06969	2.5
154.07773	5.8
155.08560	7.1
159.02849	0.9
159.08061	1.0
167.08617	0.7
169.10120	15.5
173.09610	0.6
179.08563	4.8
182.07254	2.2
187.11159	1.4
197.09608	46.0
198.09969	1.1
213.04007	1.1
215.10666	100.0
216.10979	2.6
231.04974	1.8
233.11720	16.5
290.17490	3.1
323.12546	0.5
439.51801	0.6
498.24884	3.1
498.34470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86994	0.4
53.03930	0.5
55.01875	0.5
56.77862	0.4
57.03416	0.8
61.02903	0.5
67.05495	1.0
69.03435	3.0
69.81918	0.9
79.05476	0.6
80.05000	1.6
80.05418	0.5
81.03413	0.7
81.07073	0.5
82.06581	1.5
83.07368	2.0
84.08138	2.0
85.02900	3.1
94.06591	0.9
95.04955	0.6
95.08601	3.3
97.02888	1.8
99.04464	0.8
105.07051	1.8
108.08125	0.5
109.02889	2.5
109.06488	0.8
110.09700	0.7
122.09653	2.7
123.08063	1.7
124.11255	0.9
125.05985	0.9
125.09637	0.4
127.04030	0.5
133.06477	0.9
137.05994	0.5
138.03725	0.3
141.09073	0.5
146.09637	0.4
150.09140	3.5
151.07556	5.0
152.10716	1.5
160.07614	0.4
162.09140	0.4
164.10789	0.6
166.08691	0.4
168.10179	4.0
174.12775	0.6
180.10316	0.7
182.11763	17.6
184.11201	0.5
188.10704	0.9
198.12782	0.4
202.12219	0.6
208.13274	0.6
218.11768	1.0
220.13335	1.8
226.12273	0.5
236.12830	0.4
244.13298	1.1
254.15359	0.5
262.14432	4.1
264.12292	0.6
272.16394	2.9
290.14023	0.5
290.17523	1.0
300.15976	3.5
308.18384	0.6
318.16992	30.3
319.17319	1.2
336.18048	100.0
337.18365	2.6
498.23300	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	498.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.0
55.01831	1.4
55.05478	1.0
57.03406	0.8
61.02892	1.0
67.05503	1.6
69.03433	5.0
69.51983	0.3
69.55417	1.2
70.06555	0.5
71.04956	0.5
73.02872	0.5
79.05458	1.1
80.05016	2.2
81.03378	1.5
81.07006	1.0
82.06573	2.0
83.07362	2.6
84.08150	2.2
85.02903	5.9
87.04456	0.5
91.03909	0.4
91.05470	0.7
93.07006	1.0
94.06551	1.9
95.04914	0.9
95.08614	4.8
96.08122	0.7
97.02891	3.5
97.06489	0.5
98.23396	0.6
99.04417	0.9
105.07030	2.1
108.08064	0.8
109.02876	2.5
109.06465	1.0
110.09660	0.9
111.44596	0.3
112.07529	0.4
120.08061	0.6
122.09661	5.1
123.04373	0.9
123.08076	1.5
123.10414	0.6
124.11154	0.9
125.05949	0.9
125.09586	0.6
127.03831	0.9
132.08127	0.6
133.06445	1.6
134.09612	0.9
144.08092	0.4
145.04930	0.7
146.09607	0.6
148.07457	0.4
150.08063	0.5
150.09145	7.0
151.06352	0.5
151.07536	8.0
152.10681	1.7
154.12210	0.7
162.09128	0.4
168.10219	6.9
172.07628	0.4
178.08675	0.5
180.10172	1.1
182.11771	15.1
188.10722	0.6
190.07063	0.4
190.08578	2.5
190.12120	0.4
194.11763	0.3
200.10661	0.4
202.12285	0.4
206.11687	0.9
208.13361	0.4
212.10648	0.4
218.11749	1.7
220.13275	0.9
226.12215	0.4
244.13353	3.0
246.11290	1.0
254.15540	0.8
262.14395	2.5
264.12369	2.0
272.16461	2.7
274.14618	0.4
276.12302	0.4
282.14676	0.3
290.14133	0.4
290.17517	0.9
292.15390	0.7
300.15994	3.9
318.16983	43.0
319.17297	1.1
336.18033	100.0
337.18283	3.8
350.63840	0.3
442.21933	0.4
472.81216	0.3
498.23355	23.7
499.23621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01857	1.9
55.05495	1.6
56.55666	0.5
57.03422	1.2
61.02906	2.1
67.05497	2.3
68.05057	0.7
69.03426	7.8
70.06578	2.3
71.04984	0.9
73.02912	2.1
73.06539	1.2
79.05500	2.2
80.05006	3.6
81.03397	2.1
81.07047	1.5
82.06564	2.7
83.07351	4.1
84.08142	5.0
85.02905	6.4
87.04464	1.5
91.05479	1.4
93.07053	3.7
94.06552	2.1
95.04948	1.7
95.08597	4.5
96.08116	1.3
97.02894	4.7
97.06544	0.7
99.04421	1.1
105.07039	3.5
107.08578	1.6
108.08096	1.8
109.02871	3.3
109.06511	1.8
109.10175	0.6
110.09653	0.6
111.08112	1.0
115.03925	0.7
117.06983	0.5
120.08064	1.0
121.06484	1.5
122.09658	6.8
123.04427	6.6
123.08050	2.1
124.07574	0.5
124.11239	1.5
125.05983	1.7
125.09631	1.2
126.09160	0.5
127.03857	1.2
132.08083	0.6
133.06480	3.3
134.09656	1.6
135.08038	1.5
136.11235	1.2
138.05516	0.6
145.04956	0.5
146.09631	1.5
148.07555	1.2
149.05948	0.9
150.09135	7.7
151.07552	8.9
152.10680	3.0
154.12276	0.6
162.09070	1.0
162.12689	0.7
164.10710	1.1
166.08604	1.3
168.10190	8.0
169.12260	1.2
172.11223	0.6
174.09131	0.7
174.12749	1.3
176.10707	0.6
178.08698	1.0
180.10179	1.7
182.11757	33.0
183.12099	0.5
184.11322	0.5
185.08070	2.0
186.08492	0.9
187.08649	0.9
187.13344	0.6
188.10699	1.0
190.08614	2.4
190.12276	0.6
195.06250	0.5
198.12804	0.5
200.10680	1.4
201.82443	0.4
206.11723	1.1
208.13304	4.1
212.10757	0.9
216.13870	0.7
218.11787	3.8
219.12582	0.5
220.13304	1.9
222.14920	0.9
226.12247	1.4
230.11737	0.6
232.13474	0.6
236.12767	0.5
238.14368	0.5
244.13356	1.9
246.11272	2.0
254.15364	0.9
258.14896	0.6
262.14352	2.4
264.12225	3.7
272.13300	0.9
272.16412	8.6
274.14240	1.2
274.18137	0.5
276.12344	1.0
282.14838	0.8
290.17532	1.7
292.15451	1.9
300.15924	9.6
318.16980	92.9
319.17447	4.0
320.18546	1.0
322.19937	0.6
325.41980	0.5
336.18033	100.0
337.18411	3.9
498.23282	87.1
499.23505	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	498.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97692	0.2
55.01855	0.3
55.05510	0.4
55.91214	0.2
56.05021	0.2
56.64460	0.3
56.66512	0.2
61.02951	0.3
63.68724	0.3
66.37416	0.2
67.01871	0.4
67.05489	0.5
68.05029	9.8
69.03436	1.7
69.05800	2.8
69.48448	1.2
70.06587	0.8
71.04989	0.5
79.05482	0.7
80.05000	0.9
81.03441	0.5
81.07025	0.6
85.02907	2.0
91.05489	0.6
93.07043	0.9
94.06558	0.9
95.04953	1.0
95.08606	0.9
97.02903	1.2
97.06515	0.3
99.04473	0.3
103.05454	1.0
105.07053	0.6
106.06541	0.9
107.08589	0.5
109.02881	0.6
109.06516	0.5
110.06006	0.3
115.03948	0.4
117.06962	0.3
119.31796	0.2
120.08108	8.0
121.06534	0.3
121.10152	0.3
122.06022	1.1
122.09663	0.7
123.04423	1.0
123.08068	4.2
125.05944	0.3
127.03890	0.6
130.06531	0.3
131.08569	0.5
132.08080	0.4
133.05217	0.8
135.08080	0.4
138.09138	0.4
146.09651	0.4
147.06729	0.4
148.07574	28.9
149.07982	0.4
150.09135	0.8
151.07582	0.4
153.09087	0.6
160.07581	2.7
161.05984	0.3
162.05469	0.7
163.03865	0.5
163.05833	0.3
166.08636	100.0
167.09039	1.3
168.10147	0.6
169.12299	0.4
174.09166	0.5
174.12839	1.4
177.08990	0.4
182.11789	0.2
187.09894	0.7
192.13774	0.6
202.12244	2.9
204.06532	1.1
205.06868	0.6
220.13306	6.4
221.09122	0.6
238.14375	25.7
239.14714	0.6
252.92996	0.3
290.17404	0.5
318.16977	10.1
336.18060	9.6
498.12518	0.9
498.23456	4.8
499.14551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
68.05032	7.8
69.03439	1.6
69.05815	2.7
70.06601	0.3
71.04988	0.6
78.43540	0.3
79.05504	0.8
80.05002	0.6
84.08101	0.3
85.02907	2.0
93.07045	0.8
94.06560	0.4
97.02895	0.8
99.04429	0.3
103.05475	0.8
105.07043	0.3
106.06531	0.9
107.08598	0.5
109.02856	0.5
109.06510	0.5
114.16663	0.3
118.06549	0.5
120.08109	7.9
121.06449	0.3
122.06024	1.2
122.09663	0.5
123.04428	1.1
123.08070	0.3
127.03923	0.4
129.85670	0.3
132.08188	0.4
133.05211	1.0
135.08099	0.4
142.16655	0.3
146.05988	0.5
146.09656	0.4
147.06923	0.3
148.07573	28.4
150.09125	0.4
152.49266	0.3
153.09122	0.8
160.07590	2.7
162.09120	0.3
166.08640	100.0
167.08965	1.5
174.09068	0.4
174.12784	1.2
177.09251	0.3
187.09904	0.4
192.13696	0.5
202.12288	3.0
220.13315	5.9
230.85194	0.3
238.14380	19.8
239.14650	0.5
318.16959	1.0
336.18069	9.3
498.12686	1.8
498.23343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10761	1.3
53.03944	5.7
55.01871	4.8
55.05515	11.7
57.03441	9.3
57.07076	11.3
59.05000	27.5
59.73528	1.3
61.02922	5.6
64.54934	1.5
67.05505	9.9
68.99807	1.4
69.03432	24.1
69.07072	37.3
69.60925	4.6
71.05000	6.9
71.08629	4.4
73.02900	5.8
73.06551	6.2
79.05492	2.3
81.03419	19.3
81.07050	4.6
83.08621	6.3
85.02909	65.2
85.10164	1.7
87.00835	34.9
87.04464	5.2
89.06078	1.3
91.05470	2.8
92.84613	1.4
93.07051	2.8
95.04955	1.8
95.08597	1.9
97.02895	32.6
97.06535	1.7
97.10176	22.0
99.04467	10.0
105.01869	48.8
105.05516	13.6
105.07022	11.6
109.02885	23.7
109.10157	38.9
109.10889	2.5
111.11716	26.5
115.03989	1.8
115.11212	16.0
117.01869	2.7
117.07035	2.2
121.06493	3.7
123.11732	1.6
127.03921	53.8
127.04874	2.6
127.11198	100.0
129.12764	63.0
130.07790	1.5
130.29453	1.2
131.08542	2.2
133.06490	4.0
141.06985	2.2
145.04977	26.1
145.10109	10.9
145.12259	15.2
147.02893	2.2
148.19833	1.5
158.07300	3.1
159.02879	10.3
159.08090	2.2
159.11725	3.1
169.10027	2.5
173.09625	11.2
181.04973	3.8
187.11209	5.1
197.13208	2.2
205.12231	7.6
213.03905	3.7
215.10690	10.5
215.14441	1.6
215.16331	7.4
231.04993	17.8
233.11743	4.4
233.15352	2.7
233.17477	26.5
237.14745	2.2
247.19618	1.7
249.06046	7.4
271.69379	1.6
313.11685	2.5
341.11395	1.7
373.14020	7.1
447.00162	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.9
55.01875	6.5
55.05513	10.7
57.03438	11.4
57.07079	11.2
59.05006	25.4
61.02922	5.7
67.05503	12.6
68.77016	1.8
68.99805	2.4
69.03433	25.5
69.07079	32.0
69.09682	13.0
71.04996	6.9
71.08654	2.9
73.02924	4.8
73.06564	5.6
79.05511	2.3
81.03422	19.3
81.07067	8.8
83.08620	6.1
85.02910	57.0
87.00837	31.0
87.04499	6.6
91.05502	3.3
93.07060	2.5
95.08653	2.9
96.63696	2.0
97.02893	31.2
97.06548	2.5
97.10173	25.3
99.04480	9.9
100.41851	1.8
103.94073	1.9
105.01871	37.8
105.05497	11.5
105.06468	1.9
105.07030	14.0
106.91228	1.8
107.08614	3.9
109.02876	20.7
109.10159	36.1
111.11734	18.6
115.11243	14.3
117.07041	2.7
121.06526	4.2
123.04405	2.4
127.03917	42.0
127.11198	100.0
129.12769	55.5
133.06506	5.9
139.07599	2.9
145.04956	19.8
145.06612	2.1
145.10205	10.2
145.12219	16.7
158.07301	2.4
159.02940	9.0
159.08043	3.9
159.11667	5.0
169.10210	3.9
173.09586	11.3
178.10710	1.9
181.04947	2.4
187.11075	4.4
205.12274	8.2
213.04117	3.1
215.10735	8.9
215.16458	9.2
231.05014	12.0
233.11760	5.9
233.17451	27.4
249.06071	7.7
255.11378	4.3
269.17511	3.2
313.11792	3.7
341.11359	2.5
373.13992	6.8
410.74365	2.4
499.21298	4.8
515.54834	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	498.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05431	0.7
57.03357	0.8
57.07028	0.7
58.06514	3.9
59.07325	0.7
60.08073	1.9
60.08368	0.9
62.98167	8.7
62.98522	1.3
66.02884	0.5
67.05444	1.1
70.13663	1.4
73.39344	0.6
75.04411	0.6
77.55827	0.5
81.06989	1.0
86.09622	1.1
87.04408	0.7
89.05952	0.9
95.08536	0.5
104.10629	1.6
120.55226	0.5
124.93774	31.3
124.94601	1.4
129.18361	0.5
142.94815	3.2
144.10117	0.8
162.11198	0.7
167.97980	35.6
180.96216	0.6
184.07260	1.6
185.07545	0.6
185.97784	0.4
185.99008	4.4
186.50235	0.5
198.97278	1.2
236.12653	0.8
236.14928	14.7
282.69702	0.5
289.53415	0.5
326.26773	2.1
347.47308	0.5
356.01001	0.5
437.20413	100.0
438.20660	3.2
455.21323	1.4
480.36853	3.9
498.25702	83.5
498.37082	13.7
499.26074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91201	0.5
53.03960	0.6
55.01866	0.7
56.05043	0.5
59.04993	0.9
60.04521	0.6
67.05508	2.5
69.03432	5.5
70.06590	7.0
70.69984	0.8
71.04984	1.5
79.05490	1.7
79.81429	0.5
80.05021	0.8
81.03432	0.7
81.05811	0.5
81.07068	1.6
82.06589	1.1
82.32094	0.5
83.01340	2.8
83.05009	0.5
83.21712	0.5
84.08152	2.1
85.02891	0.5
85.06536	0.6
91.05480	1.1
93.07046	2.2
94.06572	1.7
95.04986	2.9
95.08604	5.8
96.08144	3.2
97.02889	0.5
97.06545	0.8
97.08900	1.2
105.07043	1.6
107.08614	1.4
108.08147	1.0
109.08928	0.9
110.09676	4.3
111.08086	13.1
111.08839	0.9
111.10535	0.5
111.44486	0.5
115.03935	1.9
119.08582	0.6
120.08116	1.1
121.10170	0.6
122.09679	1.9
123.04477	0.9
123.08066	3.1
124.11242	1.6
125.05984	0.7
129.05478	1.3
131.08600	0.5
132.08072	0.6
134.09666	2.0
135.58095	0.5
136.11253	2.2
137.06007	1.2
137.12019	0.7
138.12825	0.6
143.03415	0.7
145.10175	0.6
146.09586	0.7
148.11252	1.3
150.09148	1.2
150.12737	0.6
151.07512	0.7
151.38077	0.6
152.10715	1.0
155.10661	0.7
157.04942	0.6
160.11259	0.6
162.12773	5.3
164.10672	0.6
164.14409	3.5
169.12148	0.6
174.12706	0.5
174.74075	0.4
176.14392	1.4
177.15146	0.6
180.13855	1.1
180.61244	0.5
182.11787	1.5
184.13359	1.5
190.12302	0.7
190.15991	2.9
191.10617	0.5
196.13307	3.9
197.08081	0.6
198.14993	2.1
198.87636	0.5
202.12376	0.8
205.08640	0.6
211.09624	1.1
214.14444	1.0
218.15471	0.9
234.14951	4.8
236.16582	1.6
237.17215	0.6
247.09714	1.8
248.16478	0.9
250.18048	5.6
262.18073	0.6
265.10843	0.6
269.47876	0.5
276.19849	0.6
278.21268	2.2
294.13321	0.7
294.20724	1.3
300.25403	0.9
304.19025	0.5
306.20493	1.0
308.18637	0.9
318.26440	1.1
322.20096	4.5
336.18033	1.7
336.21863	2.3
336.27396	2.6
354.22873	1.2
360.18225	1.6
366.19217	0.8
382.22440	0.6
392.20602	4.4
406.22034	0.5
434.21683	3.3
448.23303	4.6
449.23618	0.5
466.24304	11.7
480.25922	16.9
498.27017	100.0
498.32684	3.7
499.27280	4.6
518.58063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.05512	3.5
56.05025	2.0
57.03437	3.3
57.07088	1.7
60.04528	19.6
61.02921	1.6
67.05505	9.9
68.05030	2.3
69.03429	8.8
69.07066	5.6
70.06590	5.3
71.04993	1.9
72.04525	2.7
73.02907	2.7
74.06092	4.4
79.05485	5.8
80.05021	2.9
81.03426	4.5
81.07057	11.9
82.06595	2.3
83.04972	2.2
83.08620	4.2
83.67629	0.9
84.04510	2.2
84.35995	0.8
85.02906	26.9
87.04460	1.1
91.05476	4.5
93.07053	7.0
95.04977	1.6
95.08604	11.4
97.02894	6.0
97.06550	1.0
97.10188	2.1
98.06073	0.9
98.23451	2.6
99.04476	1.6
102.05545	33.3
105.07034	3.1
107.04945	1.3
107.08607	4.5
109.02885	2.8
109.06556	1.2
109.10156	7.1
115.03922	0.9
117.07056	1.0
119.08592	2.9
120.06565	5.4
120.08147	1.1
121.10128	5.1
123.11716	2.0
126.05479	0.9
127.03896	4.3
133.10158	2.4
135.11707	2.9
142.08606	0.8
144.06604	1.2
145.04977	2.1
145.10170	1.1
147.11688	1.9
149.13396	0.9
150.09102	0.8
161.13336	1.1
163.03893	4.0
167.95143	0.8
177.16307	0.9
190.29097	0.7
217.19571	1.3
220.13383	0.8
235.20657	1.4
246.22334	1.5
264.23297	5.2
282.24277	13.1
300.25293	20.3
316.15466	1.5
318.17023	1.7
318.26413	37.6
336.18417	2.4
336.27435	100.0
337.27869	1.5
378.28497	3.2
414.28387	1.4
444.29709	1.0
462.30643	3.4
480.31519	7.3
498.24463	4.1
498.32724	87.5
499.33136	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	498.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27922	0.3
52.59470	0.3
55.01857	0.5
55.05512	2.0
56.21922	0.3
57.03439	6.8
58.06601	27.4
58.06881	0.9
59.07380	9.1
59.12902	0.3
60.08165	9.0
65.03905	0.4
67.05505	5.5
68.59498	0.3
69.07063	2.5
69.93560	0.3
69.93879	0.8
71.08583	0.3
73.02890	0.6
75.04485	3.8
79.05447	1.2
81.07062	4.5
83.04972	0.5
83.08587	0.7
85.02899	2.4
87.04475	5.4
91.05437	0.9
92.09450	0.3
93.07009	1.2
95.08614	3.4
102.05516	0.4
103.03902	0.5
105.05455	1.1
105.07005	0.9
107.08598	0.6
109.10152	1.0
119.08566	0.6
121.10135	0.4
123.11680	0.4
129.05382	0.3
131.06226	0.3
131.07076	2.0
131.08537	0.3
133.10144	0.4
144.10199	7.2
159.06496	0.4
162.11230	4.2
190.14311	0.4
200.12813	0.4
218.13786	0.5
236.14922	100.0
237.15298	1.5
281.51385	0.3
436.37769	0.5
463.30057	0.3
480.36850	20.2
481.36963	0.6
498.37897	77.8
499.38120	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	498.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49848	1.3
55.05509	2.7
56.71288	1.0
57.07079	41.5
59.04998	1.6
59.15247	1.0
69.07076	2.0
69.16201	5.4
71.08266	2.0
71.08636	25.5
73.06546	7.9
81.07053	1.3
83.08627	2.9
85.01630	1.4
85.10183	22.6
87.04482	4.9
89.06036	100.0
91.05481	1.1
97.10181	1.8
99.11750	5.1
105.07005	1.4
107.07088	3.0
113.13325	2.5
117.09138	4.7
130.08595	1.1
133.08611	44.3
151.37338	1.0
155.17963	4.4
177.11223	16.8
181.56908	1.0
195.12350	1.6
199.20657	4.3
210.37395	1.3
221.13789	2.7
236.15106	2.0
239.14992	1.8
243.23160	9.4
271.39194	1.2
283.17609	1.7
287.25858	6.6
308.25113	1.3
327.20212	11.1
437.34567	1.7
445.33014	1.6
481.37430	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	499.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40745	0.4
57.03433	1.2
69.03423	1.0
69.75916	0.9
69.76298	0.8
71.01352	1.6
73.02917	1.3
79.05486	1.4
85.02912	3.2
92.95528	0.4
95.01373	0.6
95.04967	2.4
95.19778	0.5
97.02876	0.6
98.23456	0.6
99.00776	0.5
101.02366	0.9
103.04034	0.6
103.89777	0.4
105.03397	31.4
106.03738	0.6
107.47215	0.4
113.02378	1.7
123.04442	2.5
131.03381	0.6
141.01842	1.8
179.07014	4.1
201.05255	1.2
229.26715	0.4
283.09735	0.6
289.07083	0.5
290.17490	0.8
323.08899	5.8
333.09546	1.1
349.08975	2.8
355.10260	2.5
365.10117	0.5
377.08438	38.8
378.08774	0.7
422.76349	0.4
499.12106	100.0
500.12433	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	499.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52167	5.7
70.06573	5.0
70.07584	8.7
70.07899	7.3
72.07130	4.9
76.96519	5.2
87.51349	6.8
91.05485	12.5
103.05453	30.9
105.03401	11.1
105.07025	16.9
119.04910	7.5
127.71311	4.8
131.04945	100.0
133.06479	14.1
147.04428	6.1
151.07535	10.7
161.05997	27.5
163.07529	24.8
174.11580	5.2
179.06924	5.5
210.14905	12.7
217.08629	6.8
239.10681	7.6
254.33574	6.3
297.63202	5.9
309.11343	7.8
310.11505	8.2
321.59647	5.0
476.75232	6.4
498.27399	28.3
499.13513	11.5
499.28033	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07952	1.8
65.03926	3.3
70.06596	2.0
70.57699	2.0
70.58024	2.2
79.05473	2.1
91.05480	2.6
95.04940	2.1
96.29423	1.9
103.05466	23.6
105.07037	11.8
105.09833	1.9
106.04181	7.0
107.04964	2.6
107.11790	1.7
115.05447	3.8
118.04174	6.5
119.04940	6.6
121.06525	6.7
130.04134	8.7
131.04913	25.0
132.05717	2.1
133.02867	3.0
133.06468	10.3
134.07275	9.7
137.05991	1.8
147.04376	5.0
148.05183	10.7
149.05966	90.2
161.06010	12.8
162.06760	26.1
163.07527	28.2
164.08299	11.3
173.05952	2.2
176.04652	3.3
181.04961	24.5
184.04933	16.7
185.05740	8.1
191.07016	100.0
192.07756	6.8
193.08565	8.5
215.06790	80.4
216.07167	2.8
217.04564	2.3
219.06261	20.4
231.06204	2.6
244.18509	1.8
247.05818	4.4
248.06601	2.3
274.08096	75.3
275.08603	3.3
354.55090	1.8
411.14124	2.2
412.96225	2.1
423.48309	1.8
439.13577	13.8
468.14023	2.3
499.15741	91.2
500.17175	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	499.2119
Annotation	Cochinchinenene C
Peak:m/z	Relative Intensity
50.01594	0.3
51.02386	0.3
53.03942	0.6
59.22279	0.2
63.02372	0.4
63.89916	0.3
65.03941	5.5
67.05491	0.3
69.63183	0.4
69.63540	1.0
77.03932	0.9
79.05490	7.3
83.01343	0.8
91.05477	61.9
92.05794	0.4
93.07040	13.1
95.04964	3.0
98.22697	0.3
103.04769	0.4
103.05467	6.4
105.04539	2.1
105.07027	44.8
106.04160	0.8
106.07362	0.4
107.04949	3.0
107.08576	0.5
109.06516	12.3
115.05463	0.3
117.07017	0.7
119.06062	8.9
120.05712	2.4
121.06501	100.0
122.06843	1.1
124.05231	0.7
128.06177	0.4
129.07013	1.1
131.08597	0.5
135.08047	70.6
136.08408	0.7
137.06010	3.1
141.06961	0.4
144.05754	0.4
145.06418	0.3
147.08041	0.3
149.05981	0.6
151.07567	0.8
157.06508	1.0
159.08038	0.9
164.92056	0.4
165.07056	0.7
167.08548	1.1
175.07426	0.2
177.09067	0.5
178.07843	0.4
179.08542	0.4
181.06416	0.3
182.07214	0.5
183.08105	0.3
185.05942	0.7
187.07564	2.5
195.08102	1.3
197.09641	0.8
198.06862	0.3
199.07590	0.6
210.06766	0.5
211.07611	0.6
213.09035	0.6
223.07564	0.9
224.08281	0.5
225.09079	2.1
227.06972	0.8
227.10634	0.7
228.07893	0.3
229.12198	0.6
239.07158	0.3
239.10818	0.4
239.14305	0.3
241.08568	2.0
241.12210	0.4
242.09261	0.3
243.10226	0.6
245.08041	0.6
253.08502	1.6
254.09291	0.5
255.10211	0.7
256.07431	0.5
256.10822	0.3
257.08157	0.4
257.11710	1.2
258.08936	0.3
265.08850	0.3
267.10229	0.7
269.07996	2.2
271.09589	1.5
273.07535	6.8
282.08881	0.6
286.08356	0.9
287.09103	2.2
295.09711	0.3
299.09122	0.5
299.64444	0.3
300.10065	0.3
312.11493	0.4
313.11926	0.3
335.19208	0.4
344.10098	0.3
345.14767	0.5
347.12695	0.6
355.13132	0.7
359.12692	0.8
373.14420	3.2
377.13803	1.8
389.13770	0.6
390.14639	0.9
391.15338	3.7
394.13882	1.4
395.14844	0.4
407.14420	0.3
453.20258	0.6
463.18842	1.2
471.21872	0.4
481.20071	6.8
499.21188	5.1
504.65347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.7
55.05513	7.3
56.05045	2.2
57.07063	2.0
58.06596	4.4
58.06909	0.9
58.09813	1.1
65.03946	1.8
67.05505	3.5
68.05025	1.2
69.07069	9.6
69.14766	6.0
70.06586	7.8
72.08154	85.3
77.03928	1.7
79.05493	1.2
82.06596	2.1
83.59638	1.1
84.08138	52.8
86.09703	12.8
91.05479	2.4
94.06590	2.5
95.04963	7.2
95.05507	1.0
95.06062	6.0
97.07644	21.3
105.03388	44.2
105.07047	3.2
108.08136	1.5
109.07642	8.3
110.09687	2.6
112.07603	6.3
113.07124	1.0
115.05502	1.4
116.04979	9.7
117.07021	4.8
121.06528	2.9
124.11251	2.8
125.07119	14.3
126.04607	0.8
126.05508	24.8
126.09138	14.0
127.55139	1.1
128.04893	1.3
129.07004	2.1
134.06050	1.1
134.09665	1.9
135.08046	2.9
136.07614	1.2
136.09973	2.8
137.07086	15.8
137.08101	1.5
138.07889	1.1
142.06564	2.2
144.04494	2.3
144.08044	1.6
146.08406	2.3
151.08699	2.7
151.12299	32.2
151.13467	1.7
152.10800	2.0
154.08673	2.9
156.08127	1.9
161.10777	5.2
162.05489	16.2
162.06682	1.5
164.92120	1.6
167.07181	1.6
169.06213	1.5
169.13354	1.2
172.03928	7.1
174.09134	1.2
179.11787	100.0
180.12151	1.9
183.09253	2.5
184.07635	3.2
184.11241	1.4
188.94405	1.1
189.06590	26.3
190.04985	77.3
197.12975	3.9
211.05051	2.3
211.08701	3.9
213.10321	1.2
215.08148	3.3
216.06506	7.2
218.08176	7.1
229.09744	3.2
230.08119	12.1
233.63615	1.1
241.09875	1.3
242.08145	2.6
256.10974	1.1
257.09335	15.2
257.12924	36.2
259.07187	4.0
268.10941	2.1
269.09265	5.6
270.08826	1.2
270.20432	1.1
275.10425	1.8
278.33334	1.3
283.14386	23.3
284.10410	2.5
285.08908	2.5
296.13983	3.3
297.16010	4.5
300.17252	2.9
301.08295	4.1
303.13367	14.1
315.09760	13.4
315.12997	1.4
324.17212	3.2
326.14990	1.6
329.14935	62.5
330.15167	2.2
336.16891	1.7
340.16516	1.9
342.14606	6.5
343.16611	5.0
346.17639	7.6
350.15533	1.5
355.16672	1.3
368.16022	3.9
370.17694	5.9
372.15756	2.0
381.19104	1.8
382.17517	17.5
388.18851	1.6
397.18921	2.6
399.20294	5.2
414.20566	1.7
427.19913	2.5
428.18173	3.7
435.24109	6.1
440.22031	1.5
453.24985	13.1
457.24521	3.9
471.26031	5.8
481.24466	17.3
499.25629	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	499.3243
Annotation	Microlepin
Peak:m/z	Relative Intensity
53.91197	0.4
57.76492	0.4
69.35632	1.9
69.35992	0.8
95.09563	0.5
95.98587	0.4
164.92114	1.8
317.95346	0.5
327.32477	0.5
357.20578	0.5
425.28546	0.6
499.32431	100.0
500.32596	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	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11547	0.3
57.03439	0.3
66.04708	0.4
67.05497	0.4
67.63163	0.3
68.54543	0.3
69.03433	1.1
69.14987	0.2
70.06592	0.5
71.04993	1.1
71.45788	0.4
75.11186	0.3
79.05511	0.3
81.03416	0.6
85.02905	2.3
91.05471	0.6
94.04175	1.4
97.02879	1.1
109.02872	0.5
110.94648	0.3
113.06017	1.0
118.30389	0.3
119.04900	0.4
122.03658	3.2
123.08103	0.7
127.03895	0.8
137.05983	100.0
138.06299	1.5
139.03835	0.4
141.05495	0.9
141.09071	0.5
145.04997	0.7
147.04414	0.9
149.05991	1.1
151.07603	0.4
153.06964	0.6
159.06566	0.4
159.10130	0.5
179.07092	1.0
181.05084	0.4
181.06522	1.0
182.11873	0.3
209.06099	0.3
213.09132	1.1
219.01488	0.3
221.82483	0.3
225.09038	0.3
241.08733	1.4
248.16508	0.4
253.08633	0.6
264.16010	0.8
273.11206	4.8
285.11353	1.8
303.11908	1.4
313.25549	0.3
320.18729	1.3
336.16800	0.3
338.19626	7.3
411.25085	0.3
500.10764	0.8
500.25430	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	500.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51546	0.8
53.03950	4.1
55.01880	3.0
57.03191	0.8
57.03437	5.6
61.02929	9.1
62.18568	0.7
63.70441	0.8
67.05525	0.8
69.03062	1.7
69.03432	31.7
70.06582	1.6
71.01315	0.9
71.04984	3.4
73.02907	8.6
74.09306	0.7
77.03931	1.3
81.03419	21.4
84.08125	0.9
85.02906	100.0
86.09703	1.5
87.04472	28.0
87.05001	1.4
89.06046	1.8
91.03960	7.4
91.05482	2.6
91.24151	0.7
93.07058	1.4
95.04975	0.9
97.02894	44.7
99.04459	7.9
103.03921	1.4
105.07047	1.5
109.02882	16.8
115.03931	90.6
121.06544	0.9
122.09721	0.9
127.03918	53.7
129.07010	0.9
133.02852	23.8
133.04968	30.4
133.08617	0.9
136.73463	0.8
138.16199	0.7
145.04962	63.1
145.10146	1.8
146.06052	4.4
147.04486	1.8
147.06369	1.7
151.03906	11.2
151.07541	1.0
155.08432	1.0
157.04935	2.6
162.12831	2.2
163.06021	6.5
173.09680	1.1
183.58070	0.8
187.06108	0.9
189.05507	1.6
189.09099	53.5
199.14922	1.4
206.08134	1.5
207.08562	1.0
207.10191	7.0
207.15953	3.9
210.14919	3.6
217.08617	1.1
217.15846	1.4
229.08069	1.0
234.14761	0.9
241.07072	5.0
250.18045	2.2
259.08102	15.0
268.19086	4.7
277.09158	13.0
278.17538	1.3
285.11249	1.2
303.12280	2.6
315.12244	1.1
333.13336	2.2
396.04272	0.8
411.01617	0.9
428.62952	0.8
447.16220	2.8
465.17725	1.3
500.19138	0.6
500.26312	16.7
501.34409	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	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.29466	1.5
54.32583	1.2
55.01855	1.7
57.03429	5.4
59.78079	1.1
61.02924	8.5
69.03062	2.1
69.03430	35.0
70.03780	1.2
70.06590	1.6
70.58743	2.7
71.04987	4.2
73.02921	9.5
77.03925	1.4
81.03413	23.4
81.10758	1.2
83.01371	1.3
83.07365	2.3
84.08180	1.5
85.02904	100.0
87.04473	24.9
91.03942	7.8
91.05485	1.9
97.02892	48.7
97.08921	1.5
99.04449	8.6
108.08119	1.8
109.02870	14.7
109.08887	1.3
110.09658	2.7
115.03931	93.3
117.06994	2.6
121.06470	1.3
122.09691	7.3
123.10426	2.9
124.11246	4.7
127.03915	56.3
133.02852	24.1
133.04956	31.0
136.11212	5.4
137.11987	5.6
145.04956	69.3
147.04379	2.1
150.12776	13.8
151.03889	14.3
162.12738	3.3
163.06004	7.7
164.14378	10.9
165.15114	6.4
173.09628	5.4
175.11174	1.7
178.15926	2.3
187.06006	1.7
189.05511	2.4
189.09105	56.1
207.10106	7.1
210.14896	7.2
217.12267	2.2
233.31502	1.2
241.07086	4.0
246.44876	1.6
250.18077	3.4
259.08118	14.2
268.19131	6.6
275.18774	36.2
277.09137	14.3
285.11108	1.7
285.50293	1.4
297.10962	1.5
303.12393	2.4
333.13504	3.0
447.16339	3.6
465.17072	1.8
500.26309	5.0
501.22781	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	500.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27272	0.3
53.73862	0.2
57.03381	0.3
61.02880	0.5
64.26461	0.2
67.51115	0.3
68.05000	0.4
69.03428	1.7
70.06519	0.3
70.57201	0.2
71.04940	0.4
79.05453	0.3
81.03365	0.4
81.07015	0.4
84.08091	0.5
84.30019	0.2
85.02900	1.8
97.02876	0.6
99.04430	0.6
99.98852	0.2
100.99483	0.3
105.06982	0.3
107.08543	0.4
110.09677	0.5
120.08081	0.6
122.09612	0.7
127.03879	0.8
133.10126	0.3
134.09587	0.8
135.10301	0.3
136.11209	3.1
145.04880	0.4
146.09579	0.2
148.07539	0.4
148.11159	0.6
149.11955	0.6
150.09152	0.5
150.12711	1.0
151.03867	0.2
162.09074	0.3
164.10698	0.4
178.12303	0.6
182.11714	0.7
186.12712	0.3
194.15393	0.3
197.43002	0.3
202.12109	0.3
204.13797	0.9
218.11928	0.3
218.15367	2.5
220.13243	1.4
222.14877	4.5
232.13364	0.7
246.14819	1.4
246.30765	0.2
251.15042	0.4
256.16895	0.5
264.15958	7.4
274.18008	1.1
292.19058	10.6
293.19452	0.3
310.16467	0.5
320.18585	8.6
338.19608	100.0
339.19998	3.0
382.18719	0.5
395.57269	0.3
458.20267	0.8
482.23865	0.4
500.24942	14.9
501.25363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
56.05035	0.5
57.03431	1.2
57.65348	0.5
61.02924	1.0
67.05497	1.0
69.03426	6.8
69.07062	0.6
70.06582	1.1
71.04997	1.0
79.05511	1.1
81.03426	1.6
81.07060	0.7
84.08109	1.1
85.02904	9.2
86.09698	0.9
87.04469	0.6
87.34525	0.5
91.05504	1.3
93.07054	0.9
95.08624	0.4
96.08141	0.6
97.02904	3.7
99.04447	1.1
105.07012	0.7
106.06541	0.7
107.08612	1.3
108.08115	0.7
109.02866	1.0
110.09687	0.5
115.03931	0.6
119.08598	0.8
120.08124	1.0
121.06533	0.6
122.09670	3.9
123.10446	2.6
125.06017	0.7
127.03944	1.4
131.07332	0.5
131.08536	1.0
132.08112	0.7
133.04948	0.6
133.06520	0.5
134.09625	4.0
135.10490	0.5
136.11127	0.5
145.04938	0.9
145.10114	0.5
146.09653	1.2
148.11246	1.9
149.12039	0.8
150.09174	1.5
151.03903	1.3
152.10715	1.2
155.98082	0.5
158.09644	0.6
160.11226	1.0
162.12828	0.5
172.11252	0.8
173.11946	0.5
174.12782	0.9
175.11217	1.7
176.11577	0.8
182.11754	2.4
186.12746	0.6
190.12376	0.7
200.14384	0.9
202.12259	0.6
207.10254	0.9
214.12241	1.3
216.13989	0.7
218.11832	1.5
220.13374	3.0
221.14085	1.0
222.14940	1.6
228.13838	0.9
232.13263	2.1
238.14423	1.0
244.13258	0.6
246.14877	21.5
256.17227	0.5
264.15948	6.5
274.17993	1.3
292.19064	1.6
302.17566	2.2
320.18558	100.0
321.18787	2.9
338.19598	97.3
339.19803	3.1
382.18637	0.7
400.19791	0.8
458.20300	1.7
482.23700	0.7
500.25049	11.6
501.24951	0.7
521.08728	0.5
527.79163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01868	1.0
55.05510	0.7
56.47744	0.4
57.03427	0.5
57.07071	0.8
60.33544	0.5
61.75241	0.5
67.05470	1.1
69.03423	2.9
69.07072	2.5
70.06622	0.5
71.46857	0.6
77.03927	0.6
79.05493	3.8
81.03401	1.7
81.07052	6.9
84.08092	0.5
84.80888	0.5
85.02902	4.6
87.00819	1.4
91.05480	7.4
93.07062	2.4
95.04952	0.8
95.08590	1.2
97.02872	2.0
97.06538	1.0
99.04430	1.2
103.03947	0.5
105.01859	1.9
105.07030	12.4
106.07418	1.1
107.04959	0.7
107.08595	2.3
109.02857	0.9
109.06516	0.6
109.10156	1.2
115.03908	0.5
115.05469	3.0
117.07016	30.2
118.07368	0.9
119.08581	22.4
121.06488	1.2
121.10119	0.7
122.06835	0.8
123.08029	0.7
127.03908	2.2
128.06218	12.4
129.07005	4.4
130.04939	0.5
131.08566	5.3
132.08902	0.7
133.06461	1.1
133.10147	1.4
135.04475	0.5
135.08051	2.4
141.07002	2.8
142.07773	6.4
142.08731	0.7
143.08560	48.2
144.09093	0.8
145.04980	1.1
145.06421	0.8
145.10126	5.9
146.10458	2.3
155.06030	0.8
155.08607	3.0
156.09363	3.9
157.10121	18.9
158.07274	0.9
158.10727	0.6
159.07979	1.7
159.11713	1.9
160.08344	0.6
160.11987	0.7
161.09570	1.0
165.35573	0.5
167.07042	1.1
169.10138	3.3
170.10834	0.5
171.08121	0.8
171.11679	1.6
173.09590	3.3
174.09921	3.4
179.08644	0.6
181.10094	0.6
183.11763	0.7
184.12515	1.7
185.09586	2.0
187.11224	1.9
187.14793	0.9
188.11519	2.0
194.11700	0.6
197.09595	1.9
197.13258	0.7
198.09918	0.8
199.14813	100.0
200.15147	1.9
203.07076	0.7
204.13600	0.5
205.12257	0.8
206.12599	0.9
209.09540	0.7
209.13214	0.7
211.14786	1.1
213.16434	1.2
215.10690	2.1
216.11009	2.6
217.12311	1.1
217.15866	4.9
223.14684	0.5
227.10550	0.5
233.11748	1.0
234.12027	1.6
241.15887	1.7
243.52654	0.5
251.10777	0.7
253.15788	0.6
265.15924	1.4
269.11832	0.6
273.11154	0.5
283.16858	0.7
289.15625	0.8
307.16812	1.2
325.17911	0.7
355.11688	0.7
411.18002	1.1
429.18823	1.3
485.23618	0.8
500.26428	2.1
501.23096	0.7
515.24677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82253	0.3
53.03952	0.3
55.01875	0.8
57.03443	0.5
61.02917	1.0
61.61887	0.3
69.03428	3.9
70.06585	0.4
70.50034	0.4
71.04999	0.5
73.02898	0.5
79.05498	0.7
81.03419	1.2
85.02905	4.9
87.04466	0.8
89.53123	0.3
91.03957	0.4
91.05470	0.4
93.07050	0.7
96.08086	0.4
97.02893	2.4
99.04453	0.6
107.08595	0.4
108.08127	0.5
109.02901	0.4
120.08092	0.4
122.09727	0.3
124.07694	0.3
125.05978	0.9
127.03921	0.7
131.08575	0.5
132.08124	0.7
134.09641	3.6
144.54703	0.3
145.04961	0.4
146.09650	0.4
147.10390	0.3
148.11217	2.6
149.11995	1.2
150.09128	0.7
158.09647	0.5
160.11223	1.0
162.09106	0.4
166.08626	0.3
172.11168	0.7
173.12022	0.4
174.12773	0.4
178.12218	0.7
182.11812	0.9
188.10637	0.3
188.14322	0.3
190.12276	0.6
200.14383	0.5
204.13933	0.4
214.12286	0.8
215.29971	0.3
215.32133	0.3
216.13884	0.5
218.11757	2.4
218.15228	0.3
220.13356	3.5
222.14880	1.3
228.13818	1.1
232.13354	1.3
233.14166	0.8
234.14809	0.6
246.14885	13.1
247.15552	0.6
248.16405	0.5
256.16980	0.3
261.03506	0.3
262.14352	1.3
264.15939	8.3
274.18018	1.1
292.15421	1.1
292.19067	1.0
293.02222	0.3
294.16986	12.1
295.17377	0.4
302.17624	1.7
302.20596	0.3
320.18552	36.1
321.18823	0.7
338.19592	100.0
339.19943	2.9
344.72290	0.3
361.20090	0.4
500.24945	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	500.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01849	0.5
57.03404	0.4
61.02887	0.7
62.30581	0.2
69.03428	2.2
70.52647	0.4
70.52994	0.3
71.05009	1.2
73.02872	0.3
74.42143	0.2
79.05482	0.3
79.11490	0.2
81.03378	0.9
82.06578	0.2
84.08074	0.2
85.02911	2.7
87.04429	0.3
93.07015	0.2
95.08531	0.2
96.08086	0.4
97.02884	1.4
97.06522	0.3
99.04465	1.2
101.09839	0.2
103.66810	0.2
108.08080	0.2
109.02843	0.6
110.09678	0.2
119.08589	0.3
120.08076	0.5
124.07559	0.4
125.05962	0.6
127.03887	0.5
132.08052	0.4
134.09662	1.0
136.11261	0.3
137.06007	0.3
145.04936	0.3
146.09645	0.3
147.10316	0.2
148.11137	0.6
149.11966	0.4
150.09087	0.7
152.10698	1.1
160.11197	1.1
162.09177	0.4
164.10655	0.4
166.08644	0.3
172.11235	0.6
174.12727	0.4
176.10628	0.2
178.12267	1.5
182.11755	3.5
186.12772	0.5
190.12292	1.5
192.10155	0.3
200.14323	0.4
202.12280	0.3
204.13838	0.9
206.11769	0.4
214.12192	0.6
216.13972	0.3
218.11736	1.0
218.15364	0.8
220.13347	1.0
222.14897	2.9
228.13846	0.7
232.13303	0.9
234.14943	0.2
246.14906	4.1
256.16946	0.6
262.14374	0.8
264.15955	19.5
265.16296	0.5
274.18011	0.8
284.16418	0.3
292.15463	0.6
292.19083	1.2
294.16971	1.0
302.17441	0.5
307.39990	0.2
320.18567	19.0
321.18750	0.3
338.19601	100.0
339.19897	2.4
403.56982	0.2
500.24915	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	500.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87682	0.5
55.01852	1.0
56.96487	0.5
57.03415	1.4
61.02883	1.7
65.17428	0.5
67.42012	0.5
69.03436	6.4
70.06563	0.5
71.04965	1.3
73.02872	0.7
73.46992	0.5
76.11980	0.6
81.03379	1.7
83.04932	0.5
85.02907	7.1
87.04421	1.6
89.10320	0.5
90.45760	0.6
97.02887	2.8
97.06512	1.0
99.04426	1.6
105.06979	0.7
107.08538	0.8
108.08086	0.5
109.02821	0.8
120.08102	0.9
122.09650	1.5
127.03883	1.5
134.09674	3.0
137.05925	2.4
145.04875	0.7
146.09624	1.0
148.11159	2.0
149.11948	1.8
150.09103	1.6
152.10638	0.9
160.11234	1.2
164.10713	0.6
168.10188	0.5
172.11203	1.7
174.12863	1.3
176.10637	1.5
178.12329	0.9
182.11790	4.1
190.12209	1.3
200.14307	1.1
202.12202	0.8
204.13789	1.7
214.12276	1.9
218.11832	2.7
220.13315	1.9
222.14915	2.0
223.49800	0.6
228.13852	1.4
229.21611	0.6
232.13342	2.6
233.14151	0.9
246.14865	14.1
248.16458	1.4
250.14313	0.8
256.16898	1.7
264.15952	13.1
265.16309	0.8
274.17941	1.1
292.15500	1.9
292.18936	0.8
294.16891	1.7
302.17484	2.1
320.18558	52.5
321.18851	1.9
336.18069	0.8
338.19598	100.0
339.19983	2.8
392.18610	0.5
456.23026	0.6
500.24902	62.2
501.25177	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	500.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05320	0.2
51.45155	0.2
53.03914	0.4
55.01829	1.0
55.05484	0.4
57.03431	2.0
61.02922	1.7
67.05488	0.5
69.03426	6.0
69.07021	0.2
69.62626	0.9
70.06568	0.5
71.04943	0.8
71.64831	0.2
73.02922	1.8
78.78710	0.2
78.83883	0.2
79.05464	0.4
81.03397	1.9
81.07017	0.4
82.06534	0.4
84.08092	0.9
85.02900	5.7
87.04465	1.4
91.03918	0.5
91.05437	0.7
93.06999	0.9
94.06522	0.7
95.04926	0.3
95.08562	0.3
96.08120	0.6
97.02895	2.9
98.97521	0.4
99.04431	1.2
99.53330	0.3
100.07583	0.2
101.02348	0.5
105.06997	0.7
107.08566	0.5
108.08089	1.3
108.34275	0.3
108.36456	0.3
109.02836	0.6
109.06461	0.4
117.06980	0.3
119.08540	0.4
120.08079	0.6
121.08823	0.4
122.09594	0.9
124.07564	0.5
127.03861	1.1
132.08037	0.5
133.10088	0.3
134.09630	2.1
136.11147	0.5
137.05934	1.3
138.09081	0.4
140.07027	0.3
142.08643	0.5
143.53746	0.3
144.08083	0.4
146.09605	0.8
147.10397	0.3
148.07506	0.3
148.11182	1.8
149.11923	0.4
149.13290	0.2
150.09096	1.1
152.10666	0.7
158.09645	0.3
160.11188	0.7
162.09090	0.8
162.12759	0.6
164.10706	0.8
166.08604	0.3
168.10231	0.4
172.11183	0.8
174.09079	0.6
174.12759	0.8
176.14249	0.3
178.12233	1.1
182.11768	2.4
188.10683	0.6
190.12231	1.6
192.10098	0.4
192.13890	0.5
200.14267	0.3
202.12222	0.8
204.13809	0.6
206.11691	0.4
208.13135	0.4
214.12294	0.6
216.13701	0.5
218.11780	2.1
218.15396	0.9
220.13298	6.4
222.14873	2.9
228.13905	0.5
232.13315	1.1
233.13849	0.4
234.14745	0.4
236.12804	0.3
238.14272	0.4
246.14871	5.6
247.15727	0.4
248.16383	1.3
256.16864	0.6
262.14328	1.0
264.15939	16.3
274.17999	1.0
290.17352	0.3
292.15302	0.9
292.19055	1.2
294.16992	12.1
295.17502	0.3
302.17532	1.0
318.17068	0.4
320.18539	21.7
321.18719	0.5
336.18076	0.5
338.19586	39.3
339.19861	1.2
354.19223	0.5
370.21213	0.2
380.10257	0.4
386.22253	0.3
426.21545	1.6
493.62119	0.3
500.24878	100.0
501.24991	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	500.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05490	0.3
59.18320	0.3
61.12722	0.2
67.05482	0.4
69.03427	1.8
69.49539	0.8
70.06560	0.9
71.04989	1.8
80.05004	0.3
81.03358	0.3
84.08121	0.6
85.02897	1.3
86.09656	0.3
91.05447	0.4
93.06979	0.3
94.06551	0.3
97.02856	0.8
98.22640	0.3
99.04395	0.7
104.04183	0.3
105.06985	0.4
107.08559	0.5
108.08090	0.3
110.09660	0.7
111.08035	0.8
113.05969	1.1
119.08414	0.3
122.09629	0.4
124.11191	0.3
125.09576	0.4
134.09608	0.9
136.10197	0.4
136.11197	7.0
137.05930	0.4
137.11874	0.5
141.05429	0.8
148.11174	1.2
149.12045	1.7
150.09137	0.4
150.12756	2.0
152.10612	0.4
153.09070	0.3
153.34026	0.2
157.53970	0.3
159.27110	0.2
162.09206	0.3
162.12669	0.3
168.10123	0.4
170.11700	0.9
172.10886	0.3
175.43370	0.3
176.14384	0.3
177.05389	0.6
178.12247	0.9
186.12717	0.6
204.13823	1.1
218.15399	3.8
222.14896	3.9
232.13315	0.8
240.15939	1.7
246.14912	1.0
248.16380	0.3
264.15927	13.5
265.16272	0.3
274.18060	0.7
292.19031	9.0
303.10699	0.5
310.16336	0.6
320.18521	4.4
338.19577	100.0
339.19876	3.2
339.47540	0.3
380.20651	0.3
402.21304	0.7
473.04153	0.3
482.23853	2.1
493.03674	0.3
500.24850	11.0
501.25171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67728	0.4
52.36550	0.4
53.03930	0.9
55.02814	0.4
55.05487	1.0
56.05019	0.5
57.03407	0.9
67.05511	2.0
69.03430	2.0
69.07034	0.7
69.28247	0.8
69.28648	1.4
71.04959	1.9
79.05469	1.7
80.04989	0.6
81.03423	17.4
81.07058	2.9
83.04974	1.1
83.08625	4.4
85.02894	1.5
86.06039	1.2
86.09655	1.0
91.05479	3.0
93.07020	2.2
95.04977	6.2
95.08577	1.4
96.08156	2.2
97.02859	1.3
97.06522	0.4
98.09644	0.8
105.07055	2.4
107.04913	1.3
107.08629	1.0
108.08038	0.5
109.02843	0.8
109.06462	0.6
111.08099	2.5
115.03876	0.5
117.06966	0.5
119.08570	3.7
121.06505	0.6
121.10130	1.5
123.04369	0.7
127.03908	0.7
129.07024	1.1
131.08517	2.2
133.06458	1.3
133.10098	1.2
134.09637	0.5
135.11687	0.6
136.11205	0.8
137.09636	1.0
138.12778	5.9
139.03873	0.8
141.12721	1.3
145.06511	0.6
145.10069	0.7
146.07257	0.5
147.08060	3.8
147.11681	4.3
148.07553	1.2
149.09563	1.3
157.10112	2.1
159.07944	1.2
159.13759	0.6
162.09152	0.8
164.14374	2.0
164.34262	0.5
165.12758	0.7
173.09586	0.6
175.09894	0.7
175.11186	2.4
175.28873	0.5
176.10728	0.7
176.14424	0.8
190.12344	0.5
193.08572	0.9
193.10493	0.9
193.12259	14.7
203.14336	0.5
204.13904	3.1
204.17468	1.2
205.15880	1.3
211.13272	1.4
215.14282	3.8
217.12349	0.7
222.14789	0.7
231.13896	0.7
232.16962	5.7
233.15329	1.0
235.13168	0.6
250.18034	3.9
257.80164	0.4
260.16464	4.0
261.14703	2.8
267.15945	9.2
274.11215	0.4
278.17532	10.1
285.16974	16.4
296.18524	2.5
309.17014	1.6
320.18948	0.4
338.19623	100.0
339.19998	2.7
373.07654	0.6
484.68478	0.5
500.17487	1.4
500.24905	30.5
501.25137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67728	0.4
52.36550	0.4
53.03930	0.9
55.02814	0.4
55.05487	1.0
56.05019	0.5
57.03407	0.9
67.05511	2.0
69.03430	2.0
69.07034	0.7
69.28247	0.8
69.28648	1.4
71.04959	1.9
79.05469	1.7
80.04989	0.6
81.03423	17.4
81.07058	2.9
83.04974	1.1
83.08625	4.4
85.02894	1.5
86.06039	1.2
86.09655	1.0
91.05479	3.0
93.07020	2.2
95.04977	6.2
95.08577	1.4
96.08156	2.2
97.02859	1.3
97.06522	0.4
98.09644	0.8
105.07055	2.4
107.04913	1.3
107.08629	1.0
108.08038	0.5
109.02843	0.8
109.06462	0.6
111.08099	2.5
115.03876	0.5
117.06966	0.5
119.08570	3.7
121.06505	0.6
121.10130	1.5
123.04369	0.7
127.03908	0.7
129.07024	1.1
131.08517	2.2
133.06458	1.3
133.10098	1.2
134.09637	0.5
135.11687	0.6
136.11205	0.8
137.09636	1.0
138.12778	5.9
139.03873	0.8
141.12721	1.3
145.06511	0.6
145.10069	0.7
146.07257	0.5
147.08060	3.8
147.11681	4.3
148.07553	1.2
149.09563	1.3
157.10112	2.1
159.07944	1.2
159.13759	0.6
162.09152	0.8
164.14374	2.0
164.34262	0.5
165.12758	0.7
173.09586	0.6
175.09894	0.7
175.11186	2.4
175.28873	0.5
176.10728	0.7
176.14424	0.8
190.12344	0.5
193.08572	0.9
193.10493	0.9
193.12259	14.7
203.14336	0.5
204.13904	3.1
204.17468	1.2
205.15880	1.3
211.13272	1.4
215.14282	3.8
217.12349	0.7
222.14789	0.7
231.13896	0.7
232.16962	5.7
233.15329	1.0
235.13168	0.6
250.18034	3.9
257.80164	0.4
260.16464	4.0
261.14703	2.8
267.15945	9.2
274.11215	0.4
278.17532	10.1
285.16974	16.4
296.18524	2.5
309.17014	1.6
320.18948	0.4
338.19623	100.0
339.19998	2.7
373.07654	0.6
484.68478	0.5
500.17487	1.4
500.24905	30.5
501.25137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05508	2.3
57.03437	3.7
59.04996	3.2
61.02930	3.5
67.05518	1.3
69.03427	10.2
69.07056	2.7
69.37322	5.3
70.06584	2.1
71.04996	14.1
73.02918	14.2
73.06544	3.4
79.05494	6.3
80.05010	1.9
81.03394	2.0
81.07059	20.1
83.04953	1.4
85.02908	20.9
87.04508	1.2
91.05494	1.2
93.07050	12.7
95.02466	1.0
95.08622	2.7
97.02899	16.3
97.06528	1.7
98.23472	2.2
99.04403	1.8
104.78063	1.2
107.08605	10.7
109.02898	3.1
109.10184	1.6
111.04439	1.2
115.03927	8.9
119.08602	1.2
120.08129	1.2
127.03935	10.1
133.04984	12.3
135.11694	21.2
139.03923	2.6
139.07533	1.4
141.09003	1.2
145.04990	12.1
147.04411	1.8
147.81868	1.0
148.11243	1.0
153.12746	100.0
154.13083	2.0
157.04973	1.5
163.06056	6.7
171.13817	3.3
211.95631	1.2
217.07069	2.2
223.05975	3.4
241.07063	3.9
248.18330	1.1
259.08170	9.5
277.09259	2.6
295.10223	7.1
320.14709	1.4
482.24277	2.7
500.24966	13.1
501.15714	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	500.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26669	1.2
53.03938	3.4
53.47772	1.3
55.01856	1.5
55.05515	18.3
57.03439	21.3
65.03941	2.2
67.05160	2.6
67.05506	49.2
69.03423	3.8
69.07073	11.6
69.17509	1.4
69.75813	4.8
71.01343	3.8
71.04993	5.6
73.06578	1.3
77.03962	1.5
79.05494	44.8
81.03417	51.5
81.07058	32.3
83.04988	19.4
83.08621	19.2
85.02896	12.5
85.06545	3.8
91.05479	34.9
93.07049	46.8
95.04978	24.7
95.08617	13.4
97.02886	2.2
97.06551	11.5
97.10171	12.1
98.23405	1.5
99.08093	2.3
105.04510	2.6
105.07040	15.8
106.07394	1.8
107.04954	7.3
107.08600	30.2
109.06525	5.3
109.10172	6.3
111.04455	1.4
111.08092	9.1
117.07036	5.0
119.08578	17.2
121.06496	2.9
121.10141	8.8
123.08076	2.4
125.09605	2.1
126.04045	1.3
129.07004	8.3
131.08545	10.2
133.10153	11.6
135.11694	48.2
137.09598	2.1
137.11314	1.3
142.07759	2.5
145.10114	9.7
147.08101	2.9
147.11681	10.0
149.09610	3.2
153.12692	2.2
157.10112	9.5
163.11198	6.8
165.12839	1.7
175.11227	8.5
181.04948	3.7
181.12241	13.8
193.12247	31.5
199.13347	2.4
211.13289	60.2
234.15491	1.5
255.15915	100.0
267.15945	19.7
285.16949	36.1
290.00983	1.5
298.86224	1.3
389.67865	1.3
398.32410	1.3
447.27496	25.6
465.28464	68.1
466.28949	1.5
500.31134	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	500.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.2
53.03938	0.2
55.01860	0.5
55.05504	0.5
56.86155	0.2
57.03445	0.3
57.07071	0.5
60.04517	0.8
65.03943	4.3
67.05507	2.7
68.05002	0.3
69.03410	0.5
69.07066	1.1
69.69263	0.4
71.08606	0.2
73.80247	0.2
77.03944	0.2
79.05075	0.2
79.05489	1.1
79.23129	0.2
79.46182	0.2
80.05010	0.8
81.03435	0.3
81.07071	1.3
82.00523	0.2
82.04203	1.7
83.04987	0.3
83.08609	0.8
85.02472	0.2
85.02907	2.6
86.09692	0.3
90.95961	0.2
91.05471	0.4
93.03423	1.2
93.07032	0.8
95.04961	1.2
95.08619	1.5
97.06538	1.8
97.10166	0.4
102.05552	3.0
105.04509	0.2
105.07037	0.4
107.08582	0.5
108.02066	0.9
109.06471	0.3
109.10146	0.7
110.03675	1.7
111.04454	1.0
111.08094	0.4
119.08555	0.4
120.06559	0.2
121.10172	0.5
123.00766	0.3
123.08002	0.3
123.11651	0.3
125.06007	1.7
133.10095	0.4
135.11723	0.6
137.13315	0.3
138.03128	1.2
140.04665	0.4
142.02600	0.8
147.11584	0.2
153.05464	3.8
155.07018	0.4
166.02684	0.2
171.06549	5.3
181.04953	100.0
182.05287	1.4
198.07643	0.8
219.21013	0.3
231.21014	0.5
234.18533	4.2
237.22240	0.4
240.08656	1.9
243.30478	0.2
248.23744	0.7
249.22067	1.5
262.18054	2.3
266.24759	1.7
267.23068	0.9
270.09665	0.2
282.09729	0.2
284.25812	2.6
290.75662	0.2
300.10797	0.8
302.26898	6.0
303.27066	0.2
320.27945	1.3
327.58978	0.2
371.58929	0.2
384.54434	0.2
446.28864	0.7
464.23914	0.3
464.30087	3.7
465.28589	0.6
482.31149	9.5
483.31326	0.5
500.25827	0.3
500.32205	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	500.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05509	8.9
56.56968	1.6
57.07068	4.3
67.05503	16.6
69.07071	8.3
71.08640	5.9
71.44712	2.6
73.33826	1.8
75.49841	1.5
79.05502	13.8
80.07051	1.7
81.03427	7.1
81.07076	14.3
83.04977	2.2
83.08628	3.3
85.10207	3.7
91.05472	8.2
93.07050	18.5
95.04962	7.9
95.08625	10.0
97.06541	4.4
97.10174	4.2
99.08092	4.0
105.07026	7.6
107.08588	6.6
109.06442	2.0
109.10183	8.2
113.09637	2.4
119.08581	3.6
121.06498	3.5
121.10146	9.2
125.09669	1.9
131.08618	2.7
133.10153	4.2
135.08080	2.9
135.11700	5.3
137.09605	6.1
139.11172	2.4
147.11737	3.5
149.13303	2.6
151.11201	7.7
155.18785	1.8
161.13251	3.8
161.90262	1.5
163.11124	2.1
165.12738	4.9
186.36760	1.8
221.15381	2.2
241.19400	1.8
249.22122	1.9
250.77794	1.9
259.20505	2.2
277.21649	53.3
295.22684	100.0
296.23029	3.0
444.44550	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09724	0.4
50.34777	0.5
55.05507	1.6
57.03427	1.1
62.06085	0.7
63.51439	0.4
67.05490	1.8
69.07056	1.4
71.08630	4.8
72.03486	0.4
72.08148	1.3
79.05480	1.3
81.03419	1.4
81.07049	2.6
83.04986	0.7
83.08610	1.6
84.08139	1.2
86.06061	2.6
91.05470	1.5
93.07035	1.5
95.05019	0.5
95.08596	1.4
96.08126	1.9
97.06496	0.5
97.10211	0.6
98.06045	0.7
98.09698	2.6
99.08070	2.1
105.07034	0.5
107.08592	1.3
108.08105	1.4
109.10171	0.4
116.10728	15.9
121.10108	0.6
122.09647	1.1
133.10016	0.5
135.11674	1.2
136.11241	0.5
137.05997	0.5
143.10654	1.3
147.04414	0.6
149.13272	1.0
154.15849	2.4
164.14296	0.7
166.15923	2.2
167.14374	0.6
168.17470	0.9
178.15930	0.9
193.12320	0.6
196.16989	6.2
211.13248	0.6
213.95576	0.4
214.18015	100.0
215.18431	2.1
249.36459	0.5
255.15904	0.6
267.15778	0.6
269.17337	0.8
310.23663	0.7
349.70422	0.5
402.28522	2.6
447.27631	0.6
465.28336	1.1
482.34802	2.5
500.35889	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	500.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.7
57.07072	0.9
62.98239	0.3
67.05488	0.6
69.07062	0.5
71.08628	1.5
71.44268	0.2
74.06078	4.2
75.28924	0.3
81.07053	0.8
83.08653	0.4
84.04517	0.6
84.18645	0.3
85.10189	0.3
86.09702	100.0
87.10023	0.7
91.05499	0.4
95.08598	1.0
102.05539	2.1
109.10164	0.7
120.06572	6.0
122.64249	0.3
130.04994	2.0
143.11821	1.3
147.04349	0.9
148.04739	0.4
152.10696	0.4
171.11224	0.3
187.07147	0.4
187.14459	0.3
194.33522	0.3
211.20540	0.8
213.10291	0.3
215.13904	7.3
229.60205	0.3
233.14932	5.8
268.22809	0.4
272.16013	1.7
296.13809	0.3
300.29092	0.3
367.61069	0.3
381.31134	1.1
432.48367	0.3
482.35867	6.6
500.42838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93571	0.3
55.05513	2.5
57.03439	6.8
57.07064	0.8
58.06602	29.7
59.07383	9.7
60.08165	8.7
67.05476	1.4
67.05804	0.4
69.07069	3.8
69.46464	1.4
73.02888	1.0
74.89603	0.3
75.04481	4.2
79.05474	0.7
81.07059	2.1
83.08606	1.6
84.08092	0.5
85.02906	2.2
87.04474	4.6
89.30759	0.3
93.05489	0.7
93.07028	0.7
95.08588	1.4
97.06522	0.5
97.10136	1.1
101.05985	0.4
102.05525	0.6
103.03930	0.7
105.05468	1.0
107.08607	0.6
109.10184	0.4
110.16478	0.3
113.05992	0.6
121.10160	0.5
125.83440	0.3
131.07071	2.0
135.11711	0.4
144.10197	7.6
162.11259	4.1
170.02786	0.3
185.61649	0.3
218.13892	0.6
236.14923	100.0
237.15323	1.1
261.03510	0.3
297.05896	0.3
339.28714	0.5
482.38425	19.8
483.38641	0.4
500.39462	70.5
501.39795	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	501.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01879	1.1
55.05507	3.3
55.41642	1.0
57.03429	2.7
57.07066	1.8
57.19007	1.1
59.04993	1.2
61.02926	3.1
67.05505	15.5
69.03434	12.7
71.04997	3.7
73.02927	1.4
77.03949	1.3
79.05495	2.6
81.03413	7.4
81.07056	4.7
83.04978	1.6
85.02907	37.4
85.03419	2.3
85.06542	7.7
87.04472	10.9
91.03936	1.2
91.05483	4.0
93.07043	8.2
95.04973	2.3
95.08607	63.0
97.02908	12.7
97.06512	2.5
98.23518	2.4
99.04451	3.0
105.07043	8.5
107.04967	1.4
107.08562	7.3
109.02893	5.2
109.06514	2.5
109.10162	1.9
113.06005	5.5
115.03932	43.7
118.38364	1.3
119.08582	15.0
121.06470	2.7
121.10141	6.7
123.08070	18.0
123.11736	2.5
125.09706	1.2
127.03921	17.8
131.08594	1.6
133.04961	15.0
133.06490	2.1
133.10115	3.5
135.11699	8.4
137.09616	4.3
145.04961	19.9
147.08037	3.0
147.11700	7.0
149.09619	67.1
150.10019	1.3
151.07576	2.7
151.14801	2.3
156.09305	1.5
161.09625	1.2
161.13266	9.8
163.06042	4.1
163.11215	4.3
165.12769	5.1
170.33331	1.0
171.11726	2.3
174.10390	3.7
179.14310	1.4
189.12746	24.8
189.14317	2.0
190.13142	1.4
207.13806	100.0
259.08148	6.1
259.10651	1.0
277.09195	6.0
382.64041	1.1
500.07632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01863	6.5
55.05508	11.1
57.03427	7.7
57.07077	9.6
61.02931	4.1
62.02018	3.8
65.03937	3.7
67.05505	31.4
69.03431	37.7
69.07066	15.9
71.04987	8.1
73.02911	5.9
79.05507	20.7
79.05915	4.4
81.03413	18.0
81.07056	49.9
83.04990	18.0
85.02905	71.4
85.06548	16.4
87.04458	20.5
91.05485	45.1
92.57907	3.5
93.07042	29.6
94.07405	4.1
95.04980	17.2
95.08607	91.7
97.02891	27.5
97.06548	11.5
99.04460	8.3
101.22537	4.2
103.03948	32.6
105.03399	14.4
105.07022	40.9
107.04963	7.5
107.08604	26.8
109.02864	18.9
109.06528	13.0
109.10158	24.4
111.08099	9.8
113.06018	10.5
115.03936	80.3
117.07056	6.9
119.08572	33.0
120.04483	4.5
121.06501	6.4
121.10159	32.7
123.04435	6.9
123.08056	35.0
123.11710	17.9
125.05882	3.7
125.09604	9.1
127.03927	36.0
129.07008	6.2
131.08575	23.9
133.04973	22.5
133.06505	4.6
133.10120	20.0
135.11729	19.8
137.05951	6.5
137.09627	28.2
139.11209	5.9
143.08566	5.0
145.04962	36.9
145.10126	23.9
147.04442	4.4
147.11714	16.4
149.06000	4.3
149.09612	38.7
151.07587	7.6
151.14856	5.4
153.12735	4.5
157.05016	4.8
157.10092	5.1
159.11722	17.1
161.05986	4.8
161.09660	7.2
161.13222	18.4
163.03905	6.3
163.06042	5.7
163.11185	10.7
165.09164	4.8
165.12766	7.6
171.11726	8.4
173.09608	4.9
173.13306	4.3
175.14935	4.2
177.05420	3.9
177.12807	6.2
179.14229	5.1
187.11241	5.0
189.12706	32.5
201.16379	10.2
207.13795	100.0
217.06927	4.1
217.15977	9.5
219.01768	4.0
225.14922	12.9
235.17003	5.4
242.08911	4.1
253.08536	5.0
259.08109	10.3
267.10226	18.9
277.09195	12.2
285.22101	5.7
303.23203	10.3
309.11063	5.4
319.14526	4.4
321.24338	19.3
333.11267	10.4
339.25549	3.7
351.12094	5.5
397.17828	5.4
415.19067	11.6
457.20047	16.3
501.18140	25.5
501.24252	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	501.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95366	0.6
55.05260	0.7
55.05508	10.4
56.96290	1.1
56.96566	20.1
57.03437	5.6
57.07080	8.8
67.05505	11.1
69.06708	1.0
69.07064	12.9
69.49934	2.7
71.08628	7.7
72.96038	1.1
73.06566	0.9
74.97601	0.8
75.04468	1.7
79.05495	5.6
81.07055	15.9
81.15302	0.8
83.04974	1.0
83.08615	12.0
84.96049	0.8
85.06501	0.8
85.10184	3.7
89.06045	1.2
91.05457	1.8
92.97089	0.6
92.98618	1.0
93.07045	7.1
95.08603	15.2
97.06521	3.2
97.10160	7.3
97.99183	0.7
98.91933	3.5
98.97591	0.8
99.08101	0.8
101.05983	0.7
107.08587	4.2
109.10154	6.8
110.99694	0.7
111.08078	1.9
111.11742	1.9
113.06023	0.8
115.07552	0.7
116.98623	0.8
119.01664	0.6
119.04923	0.8
119.08596	0.8
121.10149	5.8
123.11689	2.7
125.09631	1.7
128.98544	0.6
131.07040	1.2
133.08606	0.8
135.11694	5.1
137.13254	1.4
139.11179	1.4
144.21072	0.6
147.04433	4.6
149.01161	1.3
149.13295	3.4
153.12743	1.4
154.21611	0.8
157.12233	0.7
163.14795	1.2
185.04884	0.8
195.17513	0.8
219.21094	0.6
236.14865	1.4
237.15311	1.7
241.11183	1.1
255.12407	0.9
289.28937	1.5
299.27536	0.7
307.29773	3.3
317.28281	2.9
335.29388	6.2
349.19968	1.3
349.24121	20.6
349.28384	1.0
350.24530	0.9
353.24066	1.0
353.30405	0.8
359.20892	0.8
365.23608	2.2
367.25168	100.0
368.25427	2.8
371.31558	17.9
383.24695	2.0
385.26227	58.1
386.26587	2.2
390.26819	3.8
403.27249	4.2
408.27811	17.7
409.28159	1.1
409.33063	12.3
411.27631	1.2
423.27631	1.0
427.34134	12.8
441.28891	15.8
446.70563	0.7
449.30569	1.0
482.31311	1.8
483.36789	6.3
495.64871	0.8
501.19040	0.8
501.30817	5.7
501.37836	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	0.4
55.05510	6.4
55.05912	0.3
57.03433	3.9
57.06816	0.5
57.07076	5.7
62.50741	0.3
65.03938	1.1
66.01624	0.3
67.05161	0.6
67.05504	7.8
69.07069	9.1
69.37224	1.0
71.04987	0.6
71.08633	3.5
74.05684	0.3
75.04470	0.8
79.05493	3.1
81.06566	0.5
81.07053	10.0
83.05001	0.4
83.08617	6.3
85.06547	0.4
85.10211	1.6
85.15662	0.3
91.05482	7.0
93.07043	4.4
95.04970	0.5
95.08604	10.6
97.06531	1.7
97.10168	5.0
99.08108	0.4
99.11784	0.4
101.06002	0.3
105.07027	0.9
107.08593	2.9
107.10223	0.3
109.10152	4.1
111.08086	1.4
111.11707	1.1
113.05992	0.3
119.04940	18.2
119.08594	0.5
121.10151	3.6
123.11745	1.6
125.09616	1.3
129.09146	0.4
131.06993	0.9
133.10115	0.6
135.11702	2.9
137.13249	0.5
139.11218	0.6
147.04404	100.0
148.04744	1.4
149.13252	1.8
153.12776	0.5
157.12320	0.3
163.14857	0.9
165.05461	1.9
177.16339	0.4
181.15869	0.4
195.17386	0.3
209.18985	0.4
221.08130	0.6
238.96091	0.3
262.70261	0.4
289.28830	0.6
295.17374	0.6
307.29965	1.3
317.28387	1.3
335.29456	3.0
353.30490	0.6
371.31537	8.6
409.33157	5.1
427.34146	7.0
483.36856	2.2
501.20569	0.4
501.31866	3.5
501.37787	8.7
502.19165	0.3
502.38693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33067	3.2
52.08520	3.6
55.05305	4.0
55.05518	50.0
55.30747	3.9
57.03441	39.3
57.07080	60.9
67.05505	64.6
69.06720	4.7
69.07073	80.0
69.14947	26.4
71.08636	40.1
71.86810	4.0
75.04479	9.3
78.58867	4.1
79.05489	33.7
81.07063	96.6
83.04997	5.1
83.08625	59.1
85.10174	16.7
91.05474	14.5
93.07052	35.1
95.08614	70.9
96.37710	3.9
97.06559	11.0
97.10179	38.3
101.06046	4.9
105.07029	5.9
106.22355	4.2
107.08601	26.2
109.10164	41.4
111.08112	9.6
111.11684	7.4
121.06487	6.7
121.10139	34.6
123.11693	16.1
123.65434	4.0
123.91988	3.9
125.09625	12.4
131.07031	7.5
133.10153	4.1
135.08083	3.6
135.11720	24.5
137.13242	7.3
139.11179	11.1
140.21600	3.7
149.13277	19.8
153.12759	4.2
157.12192	5.2
163.14856	8.8
165.61893	3.8
171.13899	3.9
181.15866	5.7
195.17311	4.5
200.94518	7.6
201.94363	7.4
227.20052	4.4
289.28879	7.6
307.29886	15.2
317.28397	15.4
334.17084	8.9
335.29477	37.4
335.65784	3.9
353.14310	4.2
353.30643	6.7
371.31537	100.0
375.30869	4.3
409.33224	55.0
427.34207	69.4
483.36942	37.3
501.19293	7.1
501.37885	79.3
502.38376	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	501.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32433	1.4
53.03941	1.9
55.01879	3.5
55.05510	53.3
57.03438	28.1
57.07076	51.6
59.05009	2.1
65.03941	2.2
67.05504	67.6
68.05829	1.5
69.03434	1.9
69.07066	79.7
70.52454	1.4
71.05013	3.3
71.08632	31.3
71.45370	1.6
73.06558	3.0
75.04489	9.5
79.05486	26.1
81.07055	86.3
82.00166	1.4
83.04996	4.6
83.08618	61.6
85.06538	4.1
85.10184	20.6
91.05486	3.9
93.07043	32.8
93.07606	2.2
95.05000	1.6
95.08604	88.5
97.06528	15.7
97.10168	44.3
99.00797	1.3
99.08068	2.9
101.06022	2.4
105.07047	3.7
107.08590	28.7
109.10149	41.3
111.08102	13.0
111.11717	13.6
113.05962	2.3
115.07570	3.8
119.08607	1.7
121.10140	35.3
123.11706	17.0
125.09610	8.6
125.13302	4.3
129.09160	3.0
131.07062	3.5
131.08533	1.8
133.10158	2.7
135.11681	26.8
137.13266	6.5
139.11174	8.6
143.10698	2.8
147.04474	3.9
147.11652	1.6
148.38930	1.3
149.13252	17.3
151.14856	2.1
153.12726	8.8
157.12233	1.9
161.13394	1.5
163.14810	9.9
167.14355	4.0
171.13869	2.0
177.16467	3.8
181.15875	5.5
191.17984	1.6
195.17456	2.7
199.16913	2.9
200.98419	4.1
205.19539	3.3
209.19080	2.8
213.18593	3.0
219.21112	3.1
221.19092	2.2
223.20671	2.7
237.22237	1.6
251.23827	2.6
289.28912	6.8
299.27164	2.7
307.29959	17.8
317.28442	13.1
335.29385	36.3
335.33051	2.6
353.30591	3.5
354.78345	1.4
371.31543	100.0
372.32028	4.3
409.33115	57.8
410.33575	1.9
418.64426	1.7
427.34161	77.9
428.34695	3.8
483.36801	22.5
501.32040	5.7
501.37909	95.2
502.18207	1.6
502.38150	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	502.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.22275	0.8
57.03438	1.1
61.02924	2.1
65.68167	0.7
67.88916	0.8
69.03447	4.6
70.88201	0.9
71.05016	0.9
81.03431	2.4
82.21841	0.9
85.02903	19.1
87.04500	1.0
91.03978	1.0
97.02877	4.0
99.04455	0.9
107.04977	1.7
109.02901	2.5
115.03938	2.4
118.56885	0.8
121.02860	11.3
127.03910	4.3
131.04948	1.5
131.08600	5.0
137.05989	1.9
141.06964	3.8
144.05713	5.2
145.04958	3.8
145.06529	1.0
147.08049	2.3
157.06499	11.5
157.07692	1.4
159.08054	24.1
161.05997	1.3
169.07661	1.2
175.07538	3.0
185.05975	62.8
186.06375	1.2
187.07510	3.9
189.05527	1.2
203.07030	20.3
213.05475	13.4
214.29660	0.7
215.07021	5.5
217.04854	0.9
231.06519	23.1
241.04953	10.6
259.06006	27.3
287.05457	7.3
305.06549	100.0
306.06860	1.0
323.07547	11.6
330.04776	0.9
348.39438	1.0
360.30475	0.9
402.86545	0.9
484.21442	1.0
502.22864	1.3
502.74048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
53.36504	1.1
55.01876	3.4
57.03438	5.6
59.04981	1.2
61.02924	8.0
69.03065	1.9
69.03429	33.0
69.49223	5.0
70.06578	2.2
71.05013	2.5
72.08159	2.1
73.02915	6.9
78.79634	1.0
80.05019	2.6
81.03420	16.6
84.08131	3.6
85.02905	100.0
86.09704	1.4
87.00840	4.3
87.03968	0.8
87.04461	23.8
91.03957	5.2
95.04987	1.4
97.02261	1.7
97.02889	33.9
99.04417	5.8
100.59540	1.1
101.02394	2.3
103.03934	1.4
105.01872	7.5
105.84941	1.4
108.33821	1.1
109.02876	16.6
109.33409	1.1
111.08099	1.1
115.03932	94.2
116.04285	1.2
117.05515	1.3
127.03912	56.2
129.10260	2.3
130.15875	2.8
131.16225	1.3
133.04961	44.7
138.09140	2.4
142.26797	1.1
145.04961	59.0
157.04974	1.6
163.05986	12.9
175.06062	1.5
184.09753	2.6
187.06140	1.3
201.09157	1.1
202.10660	5.2
231.05061	1.9
241.07068	6.6
249.05981	1.5
259.08157	14.3
277.09183	51.6
278.09637	1.1
340.17413	1.3
340.21085	1.7
341.13324	2.0
406.37012	1.2
502.23065	3.8
502.32123	2.0
503.21097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
67.05475	0.7
69.03423	1.6
70.06603	0.9
79.05479	0.9
91.05485	5.3
93.07027	1.2
95.04974	2.0
95.08611	1.2
97.02876	1.5
97.06529	1.1
107.69666	0.7
108.69841	0.7
121.06507	21.4
123.04442	1.4
123.08067	8.2
125.05976	3.3
131.08553	1.0
137.05956	1.6
139.07547	9.0
149.07101	2.4
151.07539	100.0
152.07872	0.9
167.07016	3.6
171.78203	0.7
171.79753	0.8
177.09000	3.3
203.10666	2.0
205.12206	1.1
213.09036	0.8
217.12259	1.0
226.09814	0.9
227.10591	1.0
231.10210	0.8
241.12207	1.4
245.11803	0.8
255.10139	1.1
259.13272	14.2
263.12720	0.9
269.11688	1.6
272.47186	0.7
277.14255	1.7
287.12830	5.5
302.13864	0.9
305.13831	58.7
306.14182	1.2
374.12625	0.7
502.17227	4.7
502.27789	2.8
513.37634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
54.34217	1.4
55.01873	4.8
55.05512	3.3
57.03431	4.6
61.02924	5.6
66.64307	1.4
67.05504	6.5
68.99776	1.9
69.03430	30.3
69.07070	4.0
69.23076	8.8
71.04994	31.5
71.08604	1.9
73.02902	4.6
79.05493	4.3
81.03422	17.3
81.07047	9.5
83.04978	2.1
83.08636	1.9
85.02908	80.9
87.00829	45.5
91.05450	2.5
93.07062	3.7
95.08598	3.4
95.19866	1.5
97.02898	27.3
97.06526	1.7
99.04459	12.4
105.01867	76.8
105.07004	16.7
107.08588	4.5
109.02877	23.1
109.10154	12.1
114.34360	1.4
117.01862	2.5
117.07020	3.5
119.08578	33.5
121.10132	4.1
127.03914	54.2
127.11197	54.2
129.01807	3.3
130.07846	1.6
131.08588	5.8
133.10139	3.2
135.11725	2.2
141.90387	1.5
143.08577	2.2
145.04961	27.3
145.10132	76.9
147.11653	3.4
159.02876	8.1
159.11693	5.8
161.13242	2.1
163.11230	4.3
170.90959	1.8
189.03871	2.5
201.14464	2.6
201.16371	45.0
207.29848	1.4
219.17445	100.0
220.17957	2.2
231.04974	22.5
237.18529	2.5
244.03116	1.5
249.06026	14.1
327.19534	2.4
353.95605	1.6
449.21558	7.8
458.49533	1.5
502.27765	4.0
520.41901	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	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01863	0.6
55.05508	0.7
57.03427	0.9
57.10918	0.3
58.59004	0.3
59.04955	0.3
61.02919	0.9
67.05508	1.2
68.05032	0.5
69.03429	4.3
69.07046	0.4
69.89697	1.0
70.06591	0.7
71.04990	0.9
73.02913	0.8
79.05521	0.5
80.04989	1.8
81.03411	1.0
81.07063	2.4
84.08139	0.4
85.02899	6.6
86.09691	0.5
87.04459	0.6
91.05462	0.4
93.07041	1.0
94.06548	1.2
95.08619	0.6
96.08133	0.3
97.02908	2.1
97.06517	1.5
99.04471	0.3
99.08095	1.8
105.07002	1.1
107.08595	0.7
108.08108	0.6
109.02872	0.7
109.10159	1.1
110.09666	0.5
119.08537	0.4
120.08095	0.9
122.09641	2.7
123.08100	0.4
124.07571	0.3
126.09174	0.4
127.03916	1.0
132.08083	0.6
133.10106	0.8
134.09647	1.0
136.07613	0.3
136.11203	0.3
137.05954	2.5
137.09555	1.0
138.09138	1.3
143.08557	0.4
145.04939	0.6
145.10072	0.3
146.09642	0.8
148.07518	1.0
148.11230	1.4
150.09140	8.1
150.40842	0.3
151.11147	0.6
152.10660	0.4
159.11659	0.3
160.11194	1.6
161.09630	1.8
162.09059	1.5
162.12762	1.2
168.10246	0.5
174.09158	0.8
174.12793	1.0
175.07535	0.7
176.10727	0.8
176.14349	0.3
178.12263	0.9
179.10770	0.3
182.11690	0.4
186.12863	0.3
186.22964	0.3
188.10683	0.8
188.14331	0.6
190.12259	0.4
192.13820	4.0
194.15323	0.4
202.12271	2.3
202.15877	1.7
204.13791	1.1
206.15385	0.5
216.13820	2.8
220.16956	8.0
222.14885	2.9
226.12315	0.4
230.11757	1.0
230.15379	3.0
234.14841	2.4
236.12888	0.6
239.16855	0.3
242.90855	0.3
244.13548	0.4
248.16440	23.3
248.20171	1.2
249.16745	0.8
258.18497	2.2
262.14337	0.5
266.17502	2.0
276.19577	16.4
277.19965	0.6
286.18051	3.0
294.20642	10.9
304.19064	18.4
305.19446	0.6
311.12579	0.6
322.20105	9.8
323.12674	0.4
340.21167	100.0
341.21521	3.5
454.15750	0.3
484.24866	0.3
502.25488	2.2
510.32596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01863	6.9
57.03423	3.5
61.02926	4.9
68.99762	5.1
69.03426	27.3
69.07067	4.1
69.36946	12.5
71.04981	5.6
73.02901	5.7
79.05500	7.5
80.58243	3.3
81.03426	21.8
81.07043	10.2
85.02900	60.7
87.00828	22.1
90.86023	3.6
91.05488	12.6
93.07030	14.3
95.08614	17.5
97.02895	31.2
99.04431	9.0
105.01871	31.0
105.07020	29.6
107.08572	12.2
109.02869	23.0
109.10137	13.7
117.06994	25.9
119.08569	17.2
121.10116	8.3
127.03909	50.3
131.08553	18.0
133.10118	20.2
135.08038	3.9
135.11693	9.5
143.08543	5.0
145.04953	30.4
145.10118	71.5
159.02910	15.6
159.11693	57.3
161.13234	4.9
173.13309	5.4
191.17955	8.1
193.34419	3.6
201.16365	100.0
203.17873	5.9
209.15239	5.7
219.17445	40.8
231.04976	10.2
249.06204	4.1
255.06429	3.3
280.57001	4.0
327.19415	5.2
471.03735	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	502.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62302	1.2
55.05542	1.3
55.75586	1.1
57.03420	1.2
57.06840	1.1
57.07077	30.8
67.05504	4.1
69.32521	6.3
71.04995	28.8
71.08636	1.4
95.08607	3.6
98.23405	2.9
109.10172	3.6
113.09645	100.0
127.11181	15.9
133.08708	1.1
141.09105	61.7
142.09492	1.7
148.39702	1.2
196.60387	1.1
246.46136	1.2
253.87125	1.2
255.15881	1.9
257.26871	1.0
327.25305	52.8
341.23230	17.4
383.31805	1.3
405.29642	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
55.05524	0.6
57.07078	69.0
67.05500	6.5
69.25951	3.3
71.04995	20.8
81.07052	1.4
109.10155	8.8
113.09647	60.9
127.11198	29.2
132.70520	0.7
141.09105	25.9
150.36534	0.7
160.37059	0.7
175.95042	0.8
201.14934	1.4
225.22081	0.7
255.15829	3.2
255.65128	0.7
327.25290	100.0
328.25641	1.4
341.23245	21.7
501.73654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.7
57.07076	81.1
66.08603	1.5
67.05502	18.2
69.27330	3.0
69.27737	4.8
71.08643	2.2
81.07056	3.3
92.04326	1.5
93.07034	3.5
95.08606	100.0
100.56768	1.4
109.10159	9.6
123.08072	5.5
127.11197	24.9
143.49422	1.9
159.10101	3.0
182.66681	1.4
196.31212	1.4
201.14934	2.4
214.23642	1.5
226.69943	1.6
250.10884	1.5
327.25299	51.6
341.23227	93.0
383.31445	2.5
405.29642	2.3
527.89868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74117	1.4
55.05515	8.2
57.03441	16.7
57.07080	36.2
59.05015	4.0
62.87518	1.5
65.03948	1.5
67.05508	89.7
69.07074	8.8
69.24023	5.8
69.24432	3.3
71.05003	3.6
71.08268	2.3
71.08636	26.2
73.28344	1.3
79.00688	1.5
79.05508	2.1
81.07063	21.5
83.08633	16.7
85.06555	3.3
85.10184	17.6
89.06036	3.1
91.05491	5.1
93.07063	2.6
95.08611	20.1
97.10183	5.9
98.22733	3.7
103.07591	2.0
107.08617	1.6
109.10159	100.0
111.08087	3.4
119.08587	6.6
123.11694	2.4
137.05940	1.7
137.09676	3.5
155.10703	5.6
173.11723	22.3
200.59056	1.4
219.91010	1.5
229.14357	62.0
239.23651	2.6
257.24765	1.6
273.71289	1.9
287.92932	1.4
288.02606	1.4
313.27365	51.2
404.12515	1.5
427.94571	1.5
436.32202	1.5
467.37357	26.9
468.37967	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	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77370	0.6
55.05489	0.6
57.03437	4.9
57.07068	3.5
58.06601	22.6
58.06862	1.5
58.80153	0.5
59.07378	7.3
60.08164	7.9
67.05479	1.2
69.07052	0.7
69.10735	3.2
71.08578	2.2
75.04466	3.6
81.07015	1.1
83.08595	0.7
84.19135	0.6
85.02843	2.2
85.10145	0.8
87.04483	3.6
89.06003	1.3
91.05443	1.3
93.05504	0.9
95.08562	1.9
97.10106	0.6
105.06958	0.6
109.10102	0.8
113.05961	0.7
121.06479	0.6
129.85854	0.6
131.07002	1.7
133.08562	0.6
133.10071	2.5
144.10213	7.2
162.11238	3.4
209.04607	0.6
218.13860	1.2
234.56366	0.7
236.14922	100.0
237.15242	1.6
315.30737	0.6
371.75851	0.8
397.01175	0.7
484.39941	19.8
485.40579	0.8
502.41144	65.9
503.21500	1.0
503.33505	1.6
503.41318	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	503.153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82474	0.6
56.68185	0.8
62.06709	0.7
70.06593	38.5
75.21573	0.7
80.22968	0.7
86.09686	1.5
87.05583	1.1
88.54343	0.6
95.08622	1.2
96.08170	0.7
98.06047	3.2
116.07107	0.7
121.06497	2.7
126.05509	1.7
137.05991	5.2
142.45656	0.8
147.96776	0.7
167.11754	0.9
175.11356	0.7
183.14967	0.8
193.12280	0.9
195.11354	1.7
211.14442	0.8
213.12363	2.7
227.05278	1.0
245.06561	0.8
246.38083	0.7
255.09950	16.6
255.12695	1.1
255.13704	0.8
271.04269	2.3
289.05304	3.0
292.16513	1.4
300.65939	0.8
303.17123	1.8
309.15707	1.1
349.18784	1.0
357.20361	1.0
397.71173	1.5
405.73001	2.7
406.22861	1.2
417.15201	3.9
420.96936	1.1
446.69003	0.8
454.25598	1.9
454.75732	1.3
459.16330	20.3
460.16803	0.8
503.15204	100.0
503.31207	2.3
504.15445	4.0
504.29462	1.2
529.32977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01860	1.6
55.05503	0.7
57.03424	1.3
57.07068	0.5
57.52982	0.4
61.02912	1.3
67.05497	1.3
68.99776	1.3
69.03429	6.9
69.07063	0.6
69.11728	2.9
70.06583	1.2
71.04979	1.0
73.02908	1.0
79.05505	0.6
81.03413	6.1
81.07038	1.5
82.07417	0.4
83.04972	0.9
83.08591	0.5
85.02907	13.4
87.00838	4.6
91.05465	1.2
93.07030	1.3
95.04960	0.5
95.08603	1.2
97.02895	4.1
97.06503	1.0
99.04432	2.2
103.03915	1.0
105.01867	3.4
105.07014	1.1
107.08583	1.3
109.02874	4.9
109.10134	0.9
111.08082	0.7
115.03949	0.6
117.01832	0.7
117.07050	0.5
119.08599	0.8
121.06496	0.7
121.10136	1.1
123.04420	1.9
123.11723	0.5
127.03915	9.3
129.01852	1.2
129.05530	0.5
131.08583	0.7
133.10110	0.7
145.04939	3.5
145.10167	0.6
147.11725	0.4
152.06192	0.8
159.02885	2.7
159.04166	0.4
159.11676	0.8
161.06018	0.5
163.11192	0.5
165.06981	1.2
167.08617	0.7
169.06493	0.9
175.14813	0.5
177.06987	0.6
180.05693	0.5
181.06473	1.3
189.03937	0.6
189.09097	0.7
194.07220	0.7
195.08083	3.4
196.08826	1.3
197.05965	3.8
201.16341	0.4
207.08087	0.4
208.05171	3.3
209.05928	1.6
210.06657	0.8
211.07520	0.9
212.08263	1.4
214.06285	0.6
215.07097	1.0
221.06010	0.7
222.06749	2.1
223.07570	2.5
224.08330	12.8
225.05536	3.5
225.08963	1.4
227.10670	2.5
231.04962	1.4
231.10092	0.5
235.07654	0.6
237.09111	1.7
238.09918	1.6
239.07033	0.7
240.07809	20.4
241.08345	1.1
248.08241	2.2
251.10657	1.0
253.08696	0.4
254.09479	0.5
255.10155	100.0
256.10559	2.4
261.09052	0.7
262.05319	0.4
263.10522	0.5
264.07874	1.9
267.10214	0.5
269.11719	1.7
270.53616	0.4
271.42850	0.4
279.10150	7.5
283.09558	3.5
285.11227	1.4
291.10132	1.5
293.11755	1.2
295.09674	1.2
297.11261	9.4
299.05920	0.4
299.12885	0.6
303.10321	0.5
307.09671	0.7
309.11169	1.6
311.12830	4.5
317.11420	0.5
321.11200	3.9
322.52106	0.4
335.12891	0.9
339.12253	0.8
345.11145	1.7
363.12277	3.3
381.13290	1.4
459.21716	0.6
471.48050	0.4
503.20203	0.5
503.28308	1.2
503.35510	4.2
504.29526	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53942	0.5
53.81010	0.6
68.83563	0.6
70.60928	1.1
79.05522	0.8
88.07646	1.1
88.11256	2.0
91.05476	0.8
93.46066	0.5
95.04964	0.8
103.05470	42.9
104.05772	0.8
104.99263	1.1
105.07037	7.0
115.05462	1.2
119.04929	1.1
131.04930	100.0
132.05287	1.8
133.06497	5.5
137.05978	2.1
143.06099	1.0
147.04414	1.2
161.04938	0.5
161.05980	22.1
163.07539	39.5
164.07910	0.8
167.05557	0.9
185.05743	9.6
187.07556	1.1
199.64510	0.7
219.06302	1.4
227.38264	0.7
311.12686	1.0
338.96725	1.3
381.13113	9.7
416.20645	1.7
420.97348	1.2
503.16592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84708	0.6
53.03955	3.0
54.23546	0.6
55.01856	2.5
55.05510	0.7
56.96560	0.6
57.03427	2.6
61.02933	4.9
64.19650	0.6
66.35964	0.6
69.03077	1.2
69.03431	20.7
70.06562	1.0
71.02798	0.6
71.05000	5.5
73.02903	2.5
78.02351	0.6
81.03420	22.8
83.04922	0.7
84.08155	0.9
85.02905	24.6
86.03217	2.9
87.04449	3.0
88.04762	0.7
91.03943	2.7
95.04951	0.8
97.02896	9.3
98.03216	1.1
98.23518	1.4
98.97569	1.9
99.04453	7.3
101.00278	0.7
109.02869	3.3
110.03208	1.0
114.97960	0.6
115.03943	7.2
116.04228	2.2
117.05501	1.5
124.92245	0.6
127.03925	8.1
128.04285	1.1
133.04921	3.6
133.07648	3.4
145.04964	7.8
146.05251	1.4
161.07108	7.0
163.05977	0.9
163.08630	5.1
167.07060	0.8
168.53706	0.6
179.08134	1.3
184.09883	0.7
189.06586	5.3
191.08163	6.2
207.07649	100.0
208.07999	2.4
221.09135	0.9
227.13928	0.8
231.07590	1.1
245.09209	0.9
247.11057	0.8
249.08740	1.8
277.09183	2.5
278.09436	2.1
278.17575	1.4
281.10629	1.2
287.10077	0.8
305.11240	2.3
323.12347	33.7
324.12686	0.7
341.13434	96.6
342.13705	2.4
342.18890	1.7
436.49866	0.7
443.15927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
53.03944	1.8
53.51479	0.6
53.88376	0.5
55.01862	1.5
55.05508	4.0
57.03437	6.7
57.07067	1.7
59.04990	1.7
61.02930	4.0
67.05483	2.5
69.03429	25.3
69.07072	3.9
69.17134	3.8
71.04988	5.5
73.02927	3.7
79.02688	0.6
79.05487	4.6
81.03424	11.1
81.07056	8.5
83.04986	2.3
83.08623	3.3
85.02905	63.2
85.06536	2.9
87.04471	29.0
87.05016	1.4
87.50479	0.6
91.03960	1.4
91.05491	4.1
93.07061	6.6
95.04970	33.4
95.08601	5.2
97.02893	17.5
97.06531	15.8
99.04452	10.4
99.08101	3.1
101.02393	1.3
103.03947	1.7
103.05522	0.6
105.07028	13.5
107.08588	11.6
109.02872	8.3
109.06518	29.2
109.10144	8.5
111.08078	3.5
113.06036	0.7
113.09664	1.4
115.03930	100.0
115.07568	4.9
116.04276	0.9
117.07024	1.3
119.06008	0.6
119.08576	7.7
121.06508	1.1
121.10150	14.2
123.08057	4.8
123.11682	3.4
125.05969	0.8
125.09628	1.7
127.03915	28.1
127.07554	1.3
131.08575	6.9
133.04961	25.4
133.10124	35.0
135.08060	4.9
135.11694	2.7
137.05948	0.6
137.09641	1.0
139.11171	1.7
143.08546	0.7
143.10667	0.7
145.04958	23.4
145.10129	2.5
147.11681	24.1
149.09596	1.3
149.13245	4.2
151.07516	1.3
151.11198	2.4
153.09105	18.4
157.05026	1.0
158.10909	2.0
161.13406	0.6
163.05997	7.2
163.11234	1.5
163.14827	3.5
165.12758	5.4
167.14305	0.9
171.10161	3.6
173.13255	16.6
175.06018	0.7
175.14847	1.2
191.14311	22.2
209.15366	55.9
210.15759	1.0
225.14838	1.6
227.16412	50.2
228.16858	1.5
241.07280	1.0
259.08096	7.4
267.69891	0.7
277.09174	12.1
294.60818	0.6
417.90341	0.6
433.90891	0.6
449.96771	0.7
485.23874	1.3
503.24911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2495
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03957	1.3
55.01866	1.3
55.05506	3.8
57.03428	1.4
57.07064	1.2
59.04995	1.9
67.05502	3.2
67.65424	0.9
69.03426	13.7
69.07066	4.9
69.64037	1.9
69.64426	2.1
71.04986	1.8
79.05489	3.3
81.03416	2.5
81.07045	6.5
83.04970	4.8
83.08624	2.4
85.02902	15.3
85.06521	1.3
87.04478	4.3
91.05463	2.3
93.07037	7.4
95.04978	2.6
95.08607	8.3
97.02910	4.9
97.06542	3.0
97.10184	2.7
99.04415	2.4
99.08097	6.1
102.60872	1.0
105.01929	1.0
105.07005	4.9
107.08600	15.3
109.02867	1.8
109.06523	3.3
109.10155	6.2
111.08080	5.1
113.19312	0.9
115.03931	12.5
119.08574	2.4
121.06486	3.0
121.10133	14.9
123.04451	2.1
123.08080	1.5
123.11698	3.1
125.05972	1.8
125.09628	29.5
127.03906	9.6
127.11161	0.9
131.08548	2.4
133.05003	2.0
133.10123	4.9
135.08047	8.1
135.11729	1.8
137.09598	3.1
139.07617	1.1
145.04955	5.5
145.10152	1.7
147.11658	3.6
149.09615	61.8
149.13226	7.7
151.11159	11.9
151.63528	0.9
153.09111	9.4
154.09906	1.8
156.53107	1.0
159.11710	1.5
163.03906	1.5
163.14821	7.0
165.12747	3.2
173.13239	4.6
191.14308	28.9
201.05588	1.0
209.15364	100.0
217.08714	0.9
227.16342	6.7
259.08255	1.1
277.09201	1.2
305.24866	1.1
323.25961	1.1
503.25208	1.5
504.25781	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.2
55.01870	5.5
55.05516	10.1
57.07074	1.4
67.05505	11.8
68.99779	1.7
69.03404	2.0
69.07077	10.7
69.49630	2.8
69.50011	2.7
79.05492	5.7
81.03414	8.6
81.07064	11.9
83.01340	11.2
83.08631	6.8
85.02920	1.2
85.06530	1.2
91.05485	11.8
93.07058	10.0
95.04955	4.9
95.08607	18.1
96.83920	1.4
97.10185	2.3
104.10754	2.9
105.07039	15.8
107.00589	1.9
107.01319	39.7
107.04953	1.3
107.08595	12.6
109.06543	1.3
109.10165	8.8
111.04447	5.0
111.08089	2.5
113.02367	24.3
117.07014	1.7
119.08592	20.5
121.10173	8.5
123.08075	2.1
123.11687	3.3
125.02307	1.3
127.00301	1.6
129.07021	2.0
131.03412	18.7
131.08565	4.0
133.10135	29.7
135.00781	14.1
135.11684	5.7
136.54219	1.2
137.02327	2.9
137.09711	1.5
139.03905	3.9
141.01833	2.2
143.08563	1.9
145.01315	4.0
145.10115	6.6
147.08101	1.6
147.11700	18.1
149.13257	4.0
150.01929	1.3
151.07567	1.9
153.01839	40.0
155.08572	1.5
157.10115	1.9
159.02890	3.5
159.08061	1.4
159.11693	5.0
161.13295	3.9
163.00278	3.4
163.07510	2.4
165.01846	3.4
167.03406	23.6
173.09631	1.2
173.13287	2.8
175.14879	2.4
179.03380	2.1
181.01321	29.0
181.04974	3.6
183.02911	2.3
183.11732	1.5
185.09627	1.6
187.14873	1.6
189.16394	4.0
193.12253	2.5
195.02928	13.1
197.04488	3.6
201.09172	1.4
201.16437	1.5
203.07088	1.6
203.17911	8.2
207.11562	2.1
209.04445	2.4
211.06056	1.5
211.14850	1.3
213.03951	5.3
227.05496	51.0
229.07054	1.9
237.07542	6.4
241.06982	1.6
247.20654	2.8
249.07605	2.9
249.98328	1.4
251.09148	3.2
255.08488	1.7
257.08145	1.4
263.09100	1.7
268.08252	1.4
269.10211	2.4
283.11771	7.6
295.11755	4.3
297.13403	2.5
298.94818	1.6
307.11646	2.5
311.16510	1.6
321.13239	2.5
333.13181	2.9
393.24210	2.0
397.19870	1.4
403.21597	5.3
417.22452	2.4
421.23645	5.3
429.22739	3.1
435.25107	2.7
445.26721	2.6
453.26453	12.3
467.27792	1.6
485.28967	100.0
486.29092	3.5
503.29706	5.9
503.37900	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	504.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03106	0.5
53.03885	0.4
55.01823	0.5
57.03358	0.3
64.39411	0.2
65.03860	2.3
67.05416	0.8
69.03343	1.1
70.06528	0.5
74.71440	0.2
81.03407	3.8
85.02893	1.4
87.97691	0.2
91.05408	0.3
93.03384	1.7
95.04908	0.8
97.02885	2.3
97.72044	0.2
99.04386	0.5
105.07009	0.4
108.02090	1.6
109.02872	2.6
110.03642	0.4
111.04451	3.5
118.06493	0.8
121.03947	0.3
123.04323	0.4
124.59881	0.2
125.05981	3.4
127.03889	0.8
133.06464	0.4
136.01508	0.4
141.05446	1.5
145.04890	0.3
146.05998	37.8
147.06313	0.6
151.03900	100.0
151.04979	7.8
152.04216	1.2
157.10074	0.4
157.41701	0.2
159.09294	0.2
160.07591	1.3
164.60442	0.2
165.94701	0.2
166.57117	0.2
169.04948	11.0
170.06088	0.5
175.11113	1.8
180.08136	0.4
186.05482	0.3
188.07031	1.4
192.06541	14.5
204.06561	0.3
208.07700	0.5
212.07225	0.3
234.07907	0.9
253.07394	0.8
254.08260	1.2
258.07791	0.3
282.07614	2.2
295.08124	6.0
300.09171	0.7
313.09122	3.9
504.19800	1.3
504.31165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15078	0.2
57.03443	0.3
65.03939	0.3
69.03419	0.8
71.04979	0.3
72.17435	0.3
81.03416	0.6
85.02901	2.2
87.04464	1.2
90.32703	0.2
91.05475	0.3
93.03402	1.4
95.04974	0.3
97.02887	0.5
97.06523	0.9
98.23461	0.5
105.07019	0.7
107.04934	1.9
109.02902	0.4
119.08600	0.6
121.38628	0.3
127.03922	0.4
128.06197	0.4
129.07005	7.4
130.07413	0.2
135.04427	2.1
137.05978	1.6
138.06313	0.9
139.03879	0.5
145.04997	0.4
147.08038	0.3
149.02345	13.2
157.06477	3.1
160.05214	0.5
161.02364	0.6
161.05991	0.7
163.03922	0.9
167.03442	0.6
171.82733	0.2
173.02330	0.4
175.07570	1.3
175.11076	0.2
179.03415	2.9
185.06017	1.3
187.93558	0.3
193.08618	1.6
203.07025	19.5
204.07422	0.3
215.07053	0.8
221.08081	100.0
222.08408	2.2
239.09129	5.9
259.09677	2.2
277.10812	0.4
312.13126	0.3
325.12833	2.0
375.89731	0.2
383.13239	1.2
401.14615	0.3
451.15598	0.4
504.25586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.8
59.28244	0.3
65.03935	0.4
69.03432	5.5
69.61605	1.4
70.06601	2.8
71.04987	0.4
73.02914	0.5
79.05502	0.6
81.07050	0.7
83.06113	0.4
85.02914	4.4
86.09705	0.6
87.04474	3.8
91.05476	5.3
93.07037	0.5
97.02888	5.1
98.22701	0.5
100.09481	0.3
105.07027	1.6
108.03754	0.4
112.88539	0.3
115.03935	5.6
115.05426	0.4
117.06984	1.8
119.04947	4.2
119.08598	1.2
120.08106	0.9
121.06503	2.5
127.03907	0.5
129.06989	1.4
131.08516	0.6
133.04959	6.0
133.06488	16.3
133.10103	0.5
137.05978	2.2
142.07774	1.9
146.06050	0.4
147.11655	0.9
150.07616	1.5
157.06357	0.4
157.10126	12.1
160.08833	0.8
175.11186	100.0
176.11526	1.4
179.07018	0.5
186.09123	0.5
203.07024	2.0
221.08125	0.5
229.15494	2.2
277.09216	0.5
302.10144	0.8
307.15332	0.7
329.12308	0.5
330.09698	2.4
375.19073	0.7
376.19257	1.9
458.14444	0.8
461.60989	0.4
504.14908	4.7
504.24207	5.6
505.14499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16822	0.7
51.52397	0.7
53.03944	1.4
55.01868	1.7
57.03426	2.9
61.02919	3.2
63.79459	0.7
67.05505	1.0
69.03434	13.4
69.07070	11.1
70.06595	26.9
71.04988	1.6
71.06919	1.6
71.28713	0.7
73.02908	2.0
79.05482	0.9
81.03413	3.1
85.02904	28.5
86.09702	3.4
87.04465	4.9
89.65688	0.8
91.03957	1.0
91.05476	3.3
93.07061	1.1
95.04951	1.1
97.02895	12.4
98.06071	2.2
99.04442	2.6
103.05440	1.2
105.07042	4.1
107.04973	1.6
109.02888	2.7
109.06454	0.9
109.17319	0.8
113.74461	0.7
115.03927	8.0
116.07118	1.2
117.07004	2.9
119.04924	2.6
119.08614	1.3
121.06502	4.9
122.03651	0.9
126.05509	2.6
127.03928	4.3
129.07019	1.5
131.04939	1.5
131.08519	0.9
133.04987	7.4
133.06483	12.0
135.08076	0.7
137.05992	14.9
138.06316	6.2
145.04965	6.1
145.06517	3.8
147.08041	2.6
147.72052	0.9
149.06003	1.0
157.06491	1.7
157.10112	6.5
159.08051	2.7
160.08734	1.1
161.05998	5.4
161.09680	0.9
163.07541	2.0
171.08102	1.1
173.06010	4.1
175.07803	3.8
175.11185	100.0
176.07883	3.0
176.11600	1.2
185.06076	1.2
187.07571	4.3
195.11263	1.4
197.05934	1.8
199.07594	1.1
199.11176	2.9
201.12758	1.4
203.06989	0.9
203.10704	3.3
211.07605	0.8
211.11343	0.8
213.12447	3.4
214.12816	1.0
215.07056	4.9
215.10777	1.7
217.12283	2.0
225.12814	1.4
227.14175	0.8
229.12274	8.2
232.08266	1.4
233.08144	3.3
241.12294	1.2
243.13870	2.1
249.08788	0.9
251.09099	10.9
252.11113	1.0
253.12331	1.2
271.13257	11.3
277.08383	0.8
280.10605	1.3
289.14346	9.4
292.10446	1.1
293.11227	0.9
294.69794	0.8
307.15271	4.4
310.17520	1.3
311.12842	1.0
312.13226	3.6
324.13083	2.1
336.19098	0.9
337.16422	0.9
340.19308	0.7
460.25519	2.8
504.25934	4.0
504.32660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
57.03408	0.7
61.02902	0.4
65.03928	0.5
69.03436	1.0
69.48930	0.5
69.49334	0.4
70.06248	0.2
70.06591	2.9
71.06928	0.2
73.02913	2.0
79.05495	1.0
80.04952	0.2
81.07040	0.8
84.08119	0.3
85.02904	2.1
90.44595	0.2
91.05477	7.6
93.07008	0.6
95.04950	0.3
96.08097	0.3
97.02888	1.5
98.06037	0.2
99.19849	0.2
105.07041	2.3
107.04898	0.2
109.02927	0.2
110.09700	0.2
115.03909	0.7
115.05433	0.6
117.07021	2.4
119.04939	6.4
119.08585	1.6
121.06510	3.7
127.03944	0.5
128.06137	0.3
129.06987	1.0
131.08539	0.6
133.04924	0.8
133.06491	19.3
133.10092	0.4
134.06804	0.2
136.11223	0.6
137.05983	2.4
142.07782	2.2
145.04964	0.8
145.10132	0.5
147.07997	0.5
147.11719	0.9
150.07594	0.3
151.89012	0.2
157.10127	16.1
158.10370	0.3
160.08813	0.9
162.12814	0.3
163.05956	0.4
175.11182	100.0
176.11562	1.8
190.16002	0.2
213.12256	0.2
253.99294	0.2
259.08139	0.3
276.19492	0.2
284.41415	0.2
292.22668	0.3
295.10281	0.9
340.85153	0.2
372.21921	0.2
388.21188	0.4
398.23212	1.7
472.26981	0.8
486.28680	2.0
504.18472	0.4
504.29617	6.8
505.30325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08907	0.3
55.01853	0.7
57.03425	0.8
61.02903	0.3
65.03915	0.8
67.05512	0.5
69.03400	1.0
70.06590	2.2
70.52624	0.4
70.52957	0.6
73.02898	0.8
74.07142	0.3
79.05465	1.3
81.07058	1.7
84.08176	0.3
85.02910	2.6
91.04948	0.5
91.05479	8.3
93.07034	0.6
95.04923	0.5
95.08616	0.3
97.02872	1.0
105.07049	2.9
107.04953	0.4
110.90240	0.4
115.03959	0.6
115.05447	0.7
117.07036	2.4
119.04949	7.0
119.08559	1.3
121.06499	4.0
127.03921	0.6
129.06989	1.2
131.08571	0.4
133.04929	0.7
133.06494	21.3
133.10086	0.6
134.06792	0.3
136.11235	0.6
137.05966	3.0
142.07802	2.8
145.04926	1.1
145.10100	0.4
147.08049	0.4
147.11668	0.9
155.08533	0.4
157.10132	16.0
160.08821	1.2
162.12846	0.4
163.05992	0.7
167.85641	0.3
175.11188	100.0
176.11577	2.0
176.91821	0.3
213.12340	0.4
259.08136	0.3
295.10336	0.9
302.21323	0.4
390.22595	0.3
398.23315	1.8
472.27017	1.3
486.28748	2.7
504.17938	0.5
504.29672	10.8
505.30356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.3
57.35209	1.1
67.05511	2.8
68.05025	2.6
69.11952	3.2
69.12366	4.4
70.06596	15.4
71.04991	2.8
72.08153	2.8
79.05477	1.4
80.05019	44.4
81.07058	1.7
82.06558	1.2
83.01339	2.0
84.04498	1.4
84.08140	2.3
86.06058	1.1
86.09693	2.7
93.07040	1.7
94.06544	2.1
95.04966	27.9
95.08603	1.2
96.08136	2.2
98.06059	7.2
99.04446	2.0
113.06023	6.2
120.08088	8.9
122.09662	1.2
123.04430	4.3
123.08086	1.3
127.03908	1.9
129.10225	1.5
138.09142	32.4
141.05489	6.8
145.04927	1.3
147.44951	1.0
148.07574	8.6
150.02235	1.3
152.03766	2.1
154.12271	1.1
156.10208	18.1
166.08655	9.5
184.09698	42.8
195.11266	1.3
202.10748	39.3
212.29776	1.1
213.12415	6.0
249.11188	1.6
266.13544	1.3
267.12277	3.6
278.17529	1.5
310.17490	3.8
334.16138	1.4
370.38150	1.2
468.22318	10.1
486.23413	30.4
504.24249	100.0
505.24570	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01865	3.3
55.05509	6.4
61.02931	2.6
67.05505	16.0
69.03439	13.4
69.07092	12.6
70.06582	11.7
70.70406	3.4
70.70734	2.7
73.02953	3.4
79.05501	15.3
79.63062	2.4
81.03422	7.8
81.07059	41.8
82.06594	3.5
83.07391	3.1
83.08612	5.4
85.02912	29.3
87.00845	9.3
91.05475	21.6
93.07049	46.8
93.07597	3.3
95.04997	5.5
95.08612	33.5
96.08151	3.4
97.02914	12.1
97.06551	3.6
97.10159	3.8
98.06017	2.2
99.04483	5.4
105.01899	13.8
105.04543	2.5
105.07045	38.2
107.04988	6.9
107.08598	34.4
107.09264	3.0
109.02898	8.6
109.06567	2.5
109.10169	37.2
109.10867	2.6
111.08075	12.9
117.07024	3.8
119.08591	38.3
121.10151	20.6
123.11713	14.3
127.03918	26.8
131.08575	4.2
133.06502	2.2
133.10132	19.9
135.11691	25.9
139.11264	2.7
144.83461	2.7
145.04987	13.9
145.10168	3.6
147.11685	67.8
149.13264	4.6
151.07562	2.5
159.02914	5.7
161.13251	17.6
165.12814	2.5
175.14891	9.5
194.11755	11.1
203.17963	100.0
204.13785	2.8
221.15518	3.4
221.19041	19.8
231.05176	5.1
232.16968	3.0
249.06056	6.8
260.16611	3.2
278.17557	2.9
406.22778	5.2
446.37589	2.5
486.28992	3.9
504.29663	95.8
505.29999	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01865	3.5
55.05505	15.4
57.03428	4.3
57.07078	4.4
67.05499	36.8
69.03427	15.2
69.07067	20.9
70.96536	3.3
71.04978	2.7
79.05484	20.3
81.03422	11.6
81.07054	50.0
83.08619	12.0
85.02908	28.1
87.00837	10.0
91.05484	23.3
93.07041	76.6
93.07607	5.1
95.04981	5.9
95.08605	63.3
95.91245	2.4
97.02879	17.9
99.04505	5.0
105.01871	5.1
105.07025	56.4
107.08589	55.2
109.02874	10.0
109.10151	100.0
111.08091	8.8
119.08579	58.5
121.10142	30.8
123.11699	12.8
125.09612	5.3
127.03925	16.8
129.01846	2.8
131.08559	3.0
133.10117	28.6
135.11694	46.2
145.04976	10.5
145.10097	5.4
147.11670	59.4
149.13307	4.2
159.02882	7.6
159.11676	4.2
161.13261	21.6
163.14734	3.6
165.12750	5.0
175.11229	2.9
175.14818	17.2
189.92570	2.5
203.17944	83.5
221.19066	7.5
231.04987	4.3
334.04865	2.5
504.29556	7.9
518.14362	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01863	1.6
55.05511	3.5
57.07076	1.0
61.02923	1.1
67.05511	5.1
68.05035	1.3
69.03429	6.0
69.07063	7.2
69.51615	2.5
70.06593	1.4
71.04991	1.4
73.02922	1.2
79.05507	5.0
81.03419	4.1
81.07058	13.9
82.06588	1.3
83.07360	3.6
83.08644	3.3
85.02911	11.5
86.06065	1.2
87.00845	5.8
91.05473	5.4
93.07037	11.3
95.04993	2.2
95.08611	13.0
96.08129	6.2
97.02906	6.7
97.06501	1.2
97.10175	0.9
98.06086	0.7
99.04465	2.5
105.01891	4.9
105.07031	14.3
105.08134	0.8
106.62443	0.7
106.72650	0.8
107.08594	12.7
109.02884	4.4
109.06534	1.7
109.10150	13.3
110.09760	0.7
115.03924	0.7
117.07053	1.0
119.08579	14.9
120.08100	0.8
121.06516	1.1
121.10144	8.3
122.09641	0.8
123.04417	0.7
123.08054	0.7
123.11705	4.4
124.11247	1.9
125.09602	1.2
125.12038	0.8
127.03913	8.5
129.54803	0.9
131.08583	1.2
133.10127	9.7
135.11673	6.8
136.11195	1.8
137.05974	0.8
137.09622	3.8
138.12749	1.0
140.07133	1.1
143.08728	0.7
145.04996	3.1
145.10106	1.8
147.11678	16.2
147.44983	0.7
149.09628	1.0
149.13303	1.1
150.12779	1.8
151.07587	0.9
152.10741	0.7
154.12299	1.7
157.10172	0.7
159.02893	3.0
159.11676	1.3
161.13234	5.6
162.12794	1.5
163.14897	0.8
164.14378	2.2
165.12793	2.2
166.12280	1.1
170.11780	4.9
175.14857	3.1
176.14218	0.9
177.16431	4.9
183.10251	0.8
194.11760	12.2
194.13364	1.0
194.15407	0.9
195.10182	0.7
203.17955	38.4
204.13878	2.5
208.13310	0.9
214.16240	0.7
214.18071	4.0
215.14658	0.7
218.15886	0.8
219.17601	0.8
221.18977	9.5
222.14943	1.2
231.04857	1.4
232.16998	2.4
238.14049	1.0
239.20062	10.2
243.80440	0.8
250.18094	3.0
260.16483	1.6
278.17517	4.6
315.15912	0.8
362.19327	0.8
406.22079	2.6
438.74738	0.7
460.30475	0.7
486.28284	1.5
504.29568	100.0
505.29953	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03492	2.3
53.06874	2.4
53.75321	2.1
55.05492	5.0
61.02913	2.7
67.05492	8.4
68.78549	2.4
69.03433	14.9
69.07069	3.7
70.06578	2.7
70.60290	5.2
72.82946	2.6
79.05480	5.4
81.03414	6.1
81.07059	11.7
85.02904	34.8
87.00795	13.3
91.05484	11.6
93.07037	14.8
95.08603	22.4
97.02886	14.3
99.04456	5.4
105.01873	34.0
105.03369	2.8
105.07024	26.7
105.92622	2.4
107.08589	23.5
108.04455	3.3
109.02862	10.2
109.10133	12.0
115.03954	2.5
119.08591	20.0
121.10140	11.4
123.11777	2.8
124.06092	2.3
127.03918	32.6
133.10133	11.9
135.11665	2.3
136.11214	2.7
142.45963	2.3
145.04948	19.2
146.06003	4.6
147.11690	70.2
159.02916	8.2
161.13297	4.7
175.14795	3.4
182.15483	2.6
203.17944	100.0
213.03984	3.4
221.19031	11.3
231.04965	16.2
241.15517	2.3
249.06079	9.1
284.09781	11.1
349.87213	2.6
393.37198	2.6
395.76721	2.2
398.23233	4.9
404.40448	2.9
452.83377	3.3
472.26843	5.3
486.10684	4.4
486.17749	5.4
486.28311	8.8
504.11877	6.7
504.18546	5.1
504.29642	36.3
505.17514	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	504.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12232	0.5
51.60494	0.5
53.42338	0.5
55.01878	0.7
55.05495	1.0
56.05038	1.1
59.04996	0.6
67.05502	1.4
67.10154	0.5
68.05036	0.7
69.03425	2.5
69.07089	0.6
70.06592	9.5
71.06977	0.6
71.45646	0.6
79.05495	2.1
80.05023	0.9
81.07065	2.1
82.06607	0.6
84.08128	1.7
85.02891	2.7
91.05486	2.8
93.07055	1.2
94.06576	1.5
95.04971	0.6
95.07330	0.9
95.08611	1.9
96.08125	2.8
97.02906	1.4
97.08904	1.8
98.06081	0.8
98.09734	0.6
99.78583	0.5
101.50923	0.5
105.07053	1.7
106.06563	0.7
107.08618	1.4
108.08125	1.1
109.02923	0.7
109.06532	0.8
109.08916	1.3
109.10213	0.7
110.09671	3.0
111.08119	0.6
111.10517	0.6
116.07114	0.7
117.07044	1.0
119.04971	0.9
119.08583	1.3
120.08117	1.1
121.06528	1.5
122.09664	2.7
123.04449	1.3
123.10435	0.8
124.11249	2.1
125.05997	0.5
127.03933	1.2
129.06999	1.0
131.08549	0.9
133.06511	2.1
133.10126	0.8
134.09624	0.8
136.11218	7.1
137.05968	10.2
137.12015	1.4
138.12801	1.8
142.07729	0.6
143.08553	0.9
145.05002	0.7
145.10152	1.4
147.11801	0.7
148.11259	1.4
150.09155	0.7
150.12758	2.4
151.13568	0.6
153.77507	0.5
157.10153	2.1
159.08029	0.5
160.11316	0.8
161.06018	1.4
162.12784	3.5
163.07487	0.5
164.14359	3.7
172.94289	0.5
173.09668	0.6
174.12910	0.5
175.11194	14.2
176.14404	1.1
179.07048	0.8
182.11736	0.6
186.23909	0.5
190.15884	1.2
192.17561	2.0
195.11613	0.7
198.14882	0.6
203.07062	0.7
204.17546	1.5
210.15077	0.6
213.12408	0.8
221.15376	3.8
234.14877	0.7
236.16441	1.2
245.15512	1.3
248.16479	0.6
250.18127	1.4
263.16455	1.0
264.19632	1.1
267.10220	0.5
274.18082	1.6
276.16998	0.7
276.19418	3.3
278.21286	3.1
287.16446	1.2
288.19623	1.4
292.22787	3.0
302.21182	3.8
339.71140	0.5
353.14859	0.6
372.21747	2.0
398.23230	15.9
406.22754	0.6
436.25821	0.5
454.25882	0.9
458.28964	0.6
472.26920	12.0
486.28589	22.9
487.29022	1.1
504.29602	100.0
505.29898	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	504.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.32277	0.3
54.95430	0.3
55.05513	1.1
56.57626	0.3
57.07079	0.5
60.70564	0.3
67.05510	1.6
68.05035	1.1
69.03427	2.0
69.07072	1.6
70.06591	0.9
71.04990	0.5
77.03960	0.4
79.05494	1.5
80.05044	0.4
81.03421	0.8
81.07061	3.4
81.81252	0.3
82.06572	2.2
83.07361	3.7
83.08591	0.5
85.02900	1.9
86.06065	0.6
87.00821	0.5
91.05483	1.9
93.07040	2.9
94.06568	0.8
95.04966	1.7
95.08602	3.4
96.08130	5.7
96.30689	0.3
97.02905	0.8
97.06541	0.4
97.08923	0.8
97.26008	0.2
98.06037	0.4
99.04471	0.5
100.11237	0.3
105.01868	0.7
105.07027	2.6
107.04926	0.3
107.08591	1.9
108.08124	0.8
109.02901	1.0
109.10157	2.8
110.09705	0.5
111.01330	0.3
111.08089	0.4
116.10694	0.3
117.07036	0.4
119.08588	3.4
119.21940	0.3
120.08122	0.7
121.06522	0.9
121.10105	1.5
122.09690	1.1
123.11707	0.5
124.11227	1.8
125.12032	0.4
126.12785	1.0
127.03940	1.7
127.06333	0.4
131.08592	0.4
133.10144	1.7
135.11722	0.8
136.11214	1.7
137.05992	0.7
137.09601	2.7
138.12798	1.1
139.11250	0.7
139.13602	0.6
140.07114	0.8
141.07863	0.4
145.04982	0.6
145.10152	0.4
147.08044	0.4
147.11693	2.4
148.07614	0.5
148.11205	0.5
149.09634	0.4
149.12004	0.3
149.13271	0.5
150.12769	1.7
151.07611	0.8
151.11163	0.6
152.07074	0.4
152.10783	0.6
152.14357	0.7
153.05492	0.5
154.12233	1.4
155.07001	0.4
161.13246	1.0
162.12741	1.4
163.11336	0.4
163.14922	0.4
164.14360	1.7
165.09138	0.9
165.12750	0.5
166.08665	0.4
166.09924	0.6
166.12247	0.4
170.10385	0.5
170.11754	4.7
175.07571	0.3
175.14861	1.2
176.14348	0.5
177.12830	0.3
177.16422	0.6
178.15936	0.9
179.16768	0.5
182.11707	0.5
182.15292	0.4
183.06522	0.4
183.10208	0.5
190.12280	0.7
194.11760	13.7
194.15431	1.1
197.11739	0.3
203.17924	3.4
204.13821	2.1
204.17448	0.5
205.12363	0.3
205.16023	0.5
206.19057	1.0
208.13339	0.9
208.16895	0.3
209.14101	0.4
214.17923	0.4
215.14375	0.7
215.29004	0.3
221.19052	1.3
222.14940	0.8
225.11250	0.8
232.16982	1.3
233.15224	0.4
239.20126	1.0
250.18033	3.4
251.18912	0.4
260.16452	1.6
278.17520	5.0
362.19635	0.8
405.21692	0.7
406.22034	3.3
460.30664	0.9
468.27225	0.4
486.28311	1.9
504.29565	100.0
505.29895	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	505.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45401	0.7
53.03956	6.1
55.01877	13.0
55.05500	1.1
57.03439	6.6
59.04989	1.0
61.02926	6.8
65.03937	1.5
67.05504	1.9
68.99797	4.9
69.03067	1.5
69.03430	29.8
69.07049	1.1
71.01349	1.3
71.05002	3.8
73.02919	6.6
77.03918	1.1
79.01857	0.9
79.05505	4.8
81.03419	30.3
81.07052	1.3
82.03748	1.0
83.01334	1.6
83.04983	1.1
85.02907	64.2
87.00832	32.3
87.01242	0.5
87.04463	1.8
91.03930	1.7
91.05480	29.6
93.07045	2.3
95.04972	5.1
95.08604	1.5
96.26039	0.7
97.02897	40.8
97.06516	1.6
97.10124	0.7
99.03873	1.2
99.04459	11.5
103.03956	3.0
103.05442	4.3
105.01234	1.3
105.01868	14.5
105.02536	1.2
105.04515	1.3
105.07033	10.8
107.04955	36.0
107.08618	0.9
109.02879	21.0
109.06524	1.4
109.10153	0.9
111.04436	2.0
115.03922	5.3
115.05453	6.0
117.01862	5.8
117.07006	2.0
119.04945	25.7
119.08575	0.9
121.02871	5.5
121.06508	18.0
123.04422	2.5
123.08029	1.0
124.05188	2.2
125.05972	1.4
127.03918	34.1
128.06201	1.5
129.01852	5.6
129.06972	3.5
131.04921	12.7
133.06497	10.2
135.08061	2.3
137.05980	5.7
138.06732	1.9
139.07542	3.8
143.04877	1.1
144.05676	1.4
145.04959	13.2
145.06480	15.2
147.02879	3.7
147.04427	1.4
147.08026	1.3
149.06030	5.0
151.07541	18.3
152.08212	1.0
153.09117	1.6
155.06047	1.1
155.08505	1.0
157.06429	3.9
158.07372	1.4
159.02890	15.9
159.08025	2.5
161.05997	2.8
162.06706	1.2
163.07545	4.0
164.08316	1.9
165.05626	0.8
165.06982	3.3
165.09079	4.0
166.07767	1.4
167.08592	1.2
169.06442	1.6
171.02832	1.5
171.08025	1.4
173.05933	1.2
174.06744	2.7
175.07533	11.1
176.08244	0.9
177.09106	7.2
178.07765	1.7
179.07112	0.7
179.08566	2.2
181.06508	4.2
181.08598	0.9
181.10098	0.7
182.07240	1.9
183.08015	1.2
185.05994	0.9
187.07597	1.2
188.08263	4.4
189.03937	1.7
189.09076	10.2
190.07889	1.1
191.07007	1.9
191.08571	1.6
192.07730	1.0
193.06805	1.4
193.08614	8.6
193.10176	1.0
194.07245	2.3
195.08070	3.1
196.08807	2.1
197.09608	2.1
199.07550	1.6
201.09103	2.6
203.06992	0.8
203.08804	0.9
203.10681	0.9
205.06522	2.9
205.08592	5.4
206.07277	1.7
207.08115	4.1
208.08838	2.6
209.06006	1.3
209.09715	1.2
210.06752	2.2
211.07613	3.1
211.11166	1.3
212.08327	1.0
213.09146	2.1
215.06853	0.9
215.10698	1.2
217.06680	0.9
217.08627	2.8
218.07257	2.8
219.08066	2.1
219.10100	0.9
221.05966	2.3
221.08061	2.0
221.09764	1.8
222.10336	1.9
223.07527	5.6
224.08356	4.1
225.09195	3.8
226.09903	2.9
227.10686	6.5
229.08615	2.0
231.05008	4.1
231.08060	1.8
231.10188	2.2
232.08792	0.9
233.06050	4.6
233.09610	0.8
234.06693	3.9
235.07520	5.3
236.08266	1.4
237.09114	2.3
238.09749	4.0
239.07027	1.4
239.10649	6.3
241.08632	3.5
242.09448	2.3
243.08076	0.7
243.10201	2.9
245.09763	1.2
246.06691	1.1
247.07600	3.5
248.08284	5.5
249.05429	1.7
249.09079	6.4
250.09868	7.4
251.07047	4.1
251.10643	2.0
252.07816	2.2
253.08618	1.7
253.12219	9.1
254.09444	2.2
255.10193	0.9
256.10999	1.7
257.11737	35.7
258.12048	1.8
259.09738	2.8
259.13242	3.6
261.09082	1.3
262.09921	2.8
263.07059	1.2
263.10706	1.3
264.07840	3.2
265.08667	2.5
265.12515	1.2
266.09399	14.1
267.10172	19.0
269.11716	29.4
270.12103	0.9
271.10104	1.0
271.13281	20.4
273.09210	1.2
274.09918	1.8
276.07794	1.3
278.09354	2.4
279.10165	28.6
280.10760	2.5
281.11728	100.0
282.12164	4.5
283.10114	1.5
283.13272	7.8
285.11200	1.4
288.11313	1.1
289.08463	1.6
290.09418	2.8
291.10117	6.6
292.10641	0.7
293.11682	11.1
295.13281	3.3
299.12778	14.0
304.10889	2.0
305.11697	8.9
309.11258	1.1
309.14706	1.0
311.12857	3.5
314.09436	0.7
315.10150	1.3
319.13229	10.7
323.12814	12.9
329.11777	3.5
332.10330	1.1
333.05481	0.7
337.14310	4.9
341.13754	2.6
347.12753	16.9
365.13876	13.5
383.14978	1.9
413.26834	1.1
424.19153	0.7
433.12579	0.9
451.13730	2.2
461.21277	2.2
469.14850	3.0
504.29315	1.3
505.20758	10.4
505.29596	5.9
506.20096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33709	1.2
52.92088	1.2
53.03945	10.7
55.01874	12.7
55.02116	1.8
55.05514	1.2
57.03432	8.0
59.98731	0.9
61.02922	7.2
65.03957	1.9
67.05507	2.5
68.99801	4.1
69.03432	46.4
69.03807	2.7
69.07078	1.4
71.05008	6.5
72.19674	1.1
72.72964	1.0
73.02920	10.2
79.05482	2.5
81.03418	48.9
81.07059	3.8
81.74316	1.1
85.02905	100.0
85.06561	2.3
87.00830	38.7
87.04494	1.6
88.36420	1.3
91.03950	2.4
91.05480	22.9
93.07047	2.9
95.04974	2.5
95.08614	3.5
97.02895	37.0
99.04455	20.1
103.03948	2.1
103.05450	2.0
104.43986	1.2
105.01865	26.4
105.02531	1.9
105.07036	4.6
107.04964	5.0
107.08614	1.6
109.02882	48.9
109.10163	2.9
111.04436	2.7
115.03933	6.5
115.05490	1.9
117.01882	5.9
119.04948	28.1
119.08582	1.8
121.02854	1.3
121.06459	6.1
121.10156	1.7
122.10503	1.4
124.05287	1.4
127.03915	83.9
129.01834	6.8
131.04935	6.0
133.06500	7.6
135.08028	2.0
137.06021	2.8
139.07549	5.2
145.04947	29.3
145.06352	2.1
147.02875	6.7
149.05978	3.7
151.07556	14.7
159.02895	30.5
163.07561	1.5
164.08365	3.4
171.03020	1.7
175.07591	2.2
177.03850	1.3
181.06403	2.1
183.84143	1.2
189.04033	1.7
189.09155	1.6
197.09579	2.5
203.07004	1.8
203.18004	1.3
204.18347	2.0
205.08643	1.5
207.08167	1.5
210.06813	1.6
211.07680	1.3
213.03954	2.7
213.09059	1.3
224.08333	2.0
226.09801	2.3
231.04997	13.9
241.08627	2.4
242.09444	3.2
253.12202	1.4
257.11719	75.2
266.09344	2.2
267.10159	3.9
269.11743	17.2
279.10123	4.2
281.11716	15.0
293.11621	2.7
299.12830	9.1
319.13379	2.6
323.12814	3.9
347.12915	3.4
365.13770	9.0
430.37650	1.5
469.14920	2.1
497.25073	1.7
504.29379	3.8
505.18045	3.6
505.29755	3.7
529.75403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03948	9.7
55.01876	15.3
55.05515	2.6
55.84162	0.9
57.03441	10.9
59.04971	0.9
61.02925	8.1
65.03963	1.0
67.05508	1.8
68.99790	6.1
69.03433	42.8
71.01376	1.4
71.04998	7.8
71.08627	1.5
73.02924	10.5
77.03931	0.7
79.05488	4.0
81.03419	45.6
81.07070	2.8
83.01337	1.2
83.04991	2.0
85.02907	97.6
86.06081	1.7
87.00833	38.2
87.04462	2.1
91.03957	4.3
91.05479	30.6
93.07054	2.6
95.04987	2.9
95.08614	2.5
95.89252	0.8
97.02896	46.1
97.06545	1.3
98.09669	0.9
99.04456	20.8
99.08124	1.2
101.06026	0.9
103.03957	1.8
103.05472	1.9
105.01870	25.8
105.07036	9.2
107.04963	17.0
107.08611	2.5
109.02883	41.0
109.06532	0.9
109.10158	1.5
111.04456	4.9
115.03940	4.1
115.05450	2.5
116.10726	4.6
117.01856	7.2
117.07053	2.2
119.04947	40.9
121.02888	0.8
121.06513	8.3
121.10151	1.4
122.09731	1.1
123.00786	0.8
123.04439	1.8
124.05210	2.4
124.52193	0.8
125.05954	0.9
127.03920	69.5
129.01843	6.5
129.05464	1.0
129.07011	2.9
131.04904	8.2
132.25526	0.7
133.06485	9.8
133.10130	1.7
135.04367	0.9
135.08080	2.2
135.11702	2.2
137.05989	4.4
137.09624	0.8
138.06807	1.4
139.07553	7.4
145.04976	30.1
145.06473	5.1
147.02898	4.4
147.04448	0.8
147.11694	0.9
148.05153	1.3
149.05943	5.1
149.13301	0.8
151.07552	14.9
154.15936	0.8
157.06526	3.2
159.02899	32.3
159.08086	1.7
161.06010	2.2
161.13115	0.9
162.06783	1.3
163.07565	3.0
164.08304	1.9
165.07024	2.2
165.09132	1.3
166.07748	1.3
167.07138	0.9
173.05972	1.1
175.07581	5.1
177.04001	1.7
177.09190	1.6
178.07819	0.9
178.78331	0.9
179.08583	1.4
181.06490	2.7
181.08658	1.7
182.07289	1.9
185.05992	1.8
189.04002	1.3
189.09109	2.8
191.07043	0.9
193.06657	1.4
193.08614	6.2
194.11823	1.2
195.03192	0.7
195.08128	1.4
196.08864	1.2
196.17041	1.8
197.09668	3.5
197.17332	1.0
199.07552	1.6
201.09099	1.6
203.17957	2.3
205.08574	3.8
207.08234	1.0
208.08809	1.6
209.06075	1.3
210.06792	1.7
211.07512	2.2
213.03835	1.7
213.09126	1.1
214.18022	27.7
215.18381	10.2
217.08676	2.7
221.06114	1.0
221.19153	2.1
223.07677	1.7
224.08354	2.1
225.09145	2.5
226.09895	1.9
227.07021	2.0
231.04982	9.4
233.06038	1.6
235.07628	2.4
236.08032	0.8
237.09183	1.8
238.09804	2.0
239.10713	3.2
241.08685	1.5
242.09444	3.5
244.15355	1.1
245.15620	0.9
248.08420	2.5
249.09186	1.4
250.09949	1.5
250.18166	1.3
251.06970	1.1
251.10663	2.3
253.12195	1.0
254.09415	1.0
255.10158	1.4
256.10950	1.5
257.11734	100.0
258.12097	1.6
259.09671	1.1
259.13376	1.7
262.09918	1.4
264.07840	1.7
265.08484	0.9
266.09464	2.3
267.10135	16.1
269.11734	20.9
269.14478	1.6
270.12549	1.1
271.09744	1.0
271.13367	1.7
278.09311	1.8
279.10165	10.9
280.10715	1.0
281.11740	25.3
283.09863	1.3
283.13379	1.2
285.11163	1.2
291.10144	4.3
293.11795	5.1
295.13318	2.5
299.12741	18.8
305.11691	3.6
311.12924	1.5
319.13342	2.9
323.12796	12.2
329.11832	1.0
337.14349	2.5
342.22696	1.9
343.23059	2.4
347.12823	9.1
365.13879	19.8
366.14151	1.1
376.23157	2.8
377.23761	1.9
383.14822	1.9
439.13861	1.1
451.13986	1.2
469.15094	1.4
487.16095	0.8
504.29333	3.6
504.36240	1.7
505.19553	0.8
505.29517	2.9
505.37128	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	505.196
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
53.00187	1.0
56.96567	30.6
62.18773	1.2
62.85995	1.1
69.87859	1.0
70.06622	1.3
73.69071	1.2
85.02940	1.6
98.97583	97.1
116.98624	27.9
124.99104	3.8
127.00717	3.2
128.98662	1.8
134.99684	4.5
140.98758	1.3
141.02219	2.7
143.00171	5.3
145.01743	4.8
155.03809	8.6
158.99670	27.8
159.03262	2.2
161.01236	2.0
163.02759	2.5
167.03847	1.9
173.04886	4.9
175.07686	1.3
177.00716	16.4
181.05321	5.8
185.04889	2.8
187.02856	2.8
187.99971	1.2
193.05424	2.1
195.06886	2.0
197.04892	1.9
199.06390	7.2
201.04338	3.0
207.06929	7.3
209.04863	1.3
210.05646	1.7
211.06421	17.4
213.07971	7.2
219.01791	4.4
221.08447	1.2
225.07976	36.1
229.07465	23.4
231.09113	6.8
239.09592	9.8
243.09064	13.4
247.08493	3.0
249.07939	2.0
253.07593	9.6
255.12752	3.3
257.10696	3.9
265.11176	15.3
267.09052	16.2
271.08499	13.5
283.12173	24.4
285.10028	6.4
301.13214	18.3
307.12180	3.0
319.14169	2.1
325.13223	100.0
326.13440	2.3
330.24738	1.6
333.07932	13.9
335.09482	8.3
343.14301	36.7
366.15573	1.8
385.15344	17.4
445.17432	35.0
463.18509	29.3
505.19159	89.1
506.19427	2.1
517.47504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2049
Annotation	Anthothecanolide
Peak:m/z	Relative Intensity
54.34143	0.4
55.02305	0.3
69.20745	0.6
69.21158	1.6
70.06601	1.1
74.09717	2.2
86.09698	0.7
98.22767	0.8
107.08555	0.4
120.03556	0.4
121.06514	1.5
137.06003	0.4
161.05757	0.5
197.34662	0.4
203.05310	0.8
205.12251	0.4
282.66168	0.4
311.49243	0.4
330.50439	0.5
341.12006	1.5
343.15097	2.1
364.04193	0.4
384.14127	0.6
432.19897	0.8
443.24542	0.4
487.19458	1.0
505.20432	100.0
506.20749	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	505.2047
Annotation	Anthothecanolide
Peak:m/z	Relative Intensity
67.05512	0.6
70.06579	2.2
71.06919	0.6
74.09718	1.2
81.48843	0.5
85.02924	0.9
91.05464	0.8
93.07036	0.6
105.07012	0.6
121.06498	2.7
131.50842	0.6
146.75281	0.7
163.07562	0.6
203.05263	9.9
225.12718	0.7
241.12341	1.1
243.13875	1.4
257.08496	0.6
257.11554	1.0
283.91495	0.6
285.14951	2.3
307.13031	2.4
325.14059	5.1
367.08484	0.6
487.19171	4.0
505.20422	100.0
506.21030	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	505.2047
Annotation	Anthothecanolide
Peak:m/z	Relative Intensity
59.10114	0.6
59.27866	0.5
65.86440	0.6
67.05508	0.7
69.66043	0.7
69.66393	2.2
70.06589	3.7
74.09727	1.7
79.05478	0.8
79.65108	0.6
82.51939	0.6
82.52425	0.7
85.02881	0.7
85.61656	0.7
91.05434	0.6
98.06046	0.9
108.83966	0.7
121.06517	1.3
131.96561	0.6
144.20197	0.7
170.48079	0.6
185.04364	0.6
200.10811	1.4
201.03813	0.8
203.05339	1.2
223.09589	0.6
272.67056	0.9
341.12076	1.2
343.15320	0.7
367.13632	2.0
369.11566	1.2
384.13800	4.6
418.88080	0.8
487.19479	2.4
505.20483	100.0
506.20981	3.8
506.27484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2259
Annotation	Lys Glu Asn Asp
Peak:m/z	Relative Intensity
50.10968	0.3
58.31039	0.2
69.03412	0.5
69.80350	0.9
70.06578	1.0
72.08160	0.4
78.55939	0.2
78.56411	0.2
81.03413	0.3
81.07061	0.8
85.02900	1.2
87.04488	0.3
91.05457	0.4
93.07058	0.5
97.02927	0.6
98.22747	0.6
98.97569	0.5
109.06483	0.3
112.99142	0.4
115.03948	0.5
125.06057	0.8
127.03930	0.6
130.15900	0.3
137.05975	0.3
144.22018	0.3
145.04990	0.7
153.05449	1.4
159.20439	0.3
179.80315	0.3
187.07472	0.4
193.11942	0.3
195.06566	2.0
201.03728	0.4
203.05281	1.1
237.07924	0.4
255.08960	0.6
275.07401	1.5
283.12491	0.5
325.13257	1.0
333.07919	5.6
335.09470	19.0
343.14322	0.5
373.18167	1.9
411.93805	0.3
445.17267	2.3
487.21213	0.3
505.22546	100.0
506.23080	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2635
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
51.94576	0.5
55.01871	0.8
55.05506	5.6
57.03450	0.8
57.07077	1.5
59.05000	1.1
60.58073	0.5
64.01978	0.5
65.03924	0.7
67.05505	8.8
69.03433	6.0
69.07066	8.2
70.38625	0.6
71.04997	2.2
73.02921	1.6
79.05499	2.0
81.03418	1.1
81.07053	12.8
83.04982	6.2
83.08622	4.4
85.02901	4.4
85.06523	2.9
87.04447	1.2
91.05484	2.1
93.07041	5.6
95.04967	2.7
95.08604	21.5
97.02898	2.2
97.06523	1.3
97.10162	2.0
99.08101	2.9
105.07034	4.3
107.08588	15.3
109.02859	1.1
109.06512	6.2
109.10152	69.8
110.10484	1.4
111.08070	2.2
111.11714	0.6
113.09613	0.5
115.03877	2.8
119.04935	0.6
119.08582	29.8
120.08891	0.6
121.10141	8.4
123.04502	0.6
123.08058	7.9
123.11690	6.3
127.03945	1.8
129.07153	0.7
133.04941	1.4
133.09175	1.2
133.10132	15.8
135.11690	77.5
136.12032	1.0
137.09612	11.5
139.11191	1.5
145.04987	1.4
147.11694	2.0
149.13268	5.0
151.11177	5.5
151.14818	8.6
153.12750	2.8
163.03943	0.6
165.16350	3.2
175.14818	33.1
176.15123	0.8
193.15878	58.8
194.16100	1.3
205.40334	0.6
211.16927	100.0
212.17273	2.3
215.06976	0.6
229.17958	0.7
260.10052	1.2
261.10297	0.5
325.75183	0.6
373.22272	3.6
388.20853	0.7
505.15826	1.2
505.23160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2776
Annotation	Mellerin B
Peak:m/z	Relative Intensity
51.37846	0.4
53.05851	0.4
55.05518	1.3
57.03455	1.0
67.05504	3.2
69.07078	1.0
69.15987	2.4
70.01419	0.4
71.04983	0.5
79.05492	2.6
81.03415	2.1
81.07056	3.0
83.05004	0.6
83.08625	0.8
85.02924	0.7
90.58722	0.4
91.05489	1.5
93.07040	2.9
95.04972	1.4
95.08615	1.0
97.06556	0.8
97.10185	0.5
105.07013	1.1
107.05009	0.7
107.08611	1.9
109.06554	0.5
109.10168	1.0
112.70877	0.5
119.08592	1.1
121.06512	0.6
121.10146	0.8
129.06990	0.5
131.08559	0.5
133.10107	0.9
135.11685	1.5
142.88757	0.4
144.74414	0.5
145.10167	0.9
147.08044	0.5
147.11711	0.8
157.10141	0.8
165.09119	1.7
172.11089	0.4
193.12270	1.3
221.11485	3.1
221.15353	0.5
235.96974	0.4
251.12576	4.4
255.15921	0.8
277.14148	4.7
307.15091	3.0
397.51263	0.4
413.26929	1.3
487.30487	1.6
505.27698	100.0
506.28268	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	505.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05513	2.0
57.03431	1.0
57.07079	0.6
63.02382	0.4
66.01150	0.1
67.05507	1.3
69.07069	2.0
69.20387	0.3
69.20794	0.4
70.28139	0.1
71.08635	0.2
74.05101	0.1
78.04703	0.2
79.05478	0.7
81.07053	1.6
82.16869	0.1
83.08623	1.3
89.03916	5.0
91.05492	0.4
93.07057	0.9
95.04974	0.2
95.08604	1.1
97.06535	0.3
97.10152	0.5
103.05479	0.2
105.98650	0.1
106.04153	0.3
107.08620	0.5
109.10130	0.6
111.11713	0.1
112.92628	0.1
117.03378	14.8
118.03656	0.1
119.04915	0.1
119.08537	0.1
121.06493	0.2
121.10110	0.5
123.11653	0.1
123.28869	0.1
129.04506	0.1
134.03627	1.1
135.04439	1.0
135.11676	0.2
137.05988	0.1
137.13205	0.1
145.02846	41.4
146.03122	0.5
149.05974	5.7
149.13197	0.2
158.05994	0.4
162.03131	0.4
163.03922	0.9
177.05467	100.0
178.05800	1.5
186.05504	2.3
186.37216	0.1
195.00333	0.2
195.06502	1.2
220.19881	0.1
233.08122	0.1
237.22102	0.2
251.09113	0.4
301.02396	0.1
311.25873	0.2
505.31573	4.8
506.31552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	17.4
61.20974	1.1
63.15118	1.5
70.06576	3.6
71.57446	1.1
72.08142	3.9
84.96042	4.6
86.09698	3.7
96.04503	2.2
97.51538	1.1
97.88639	1.2
98.97585	32.7
102.67131	1.3
110.97581	14.4
112.99104	2.0
116.98641	10.7
120.08080	4.7
124.07590	4.9
125.07920	3.2
128.98619	11.7
131.00188	2.1
140.98605	3.6
143.00177	3.5
146.05954	1.9
146.99623	3.8
151.03893	2.4
152.07072	15.6
152.98625	2.0
153.07385	5.6
158.99637	5.0
161.01230	5.1
170.99702	4.7
171.08481	1.4
177.00696	3.4
184.00722	2.0
186.02341	3.0
189.00726	3.4
190.01802	1.8
201.00932	6.6
202.01781	7.9
204.03323	13.8
207.02094	1.2
208.02681	1.3
209.01260	1.2
218.01250	2.5
219.01768	25.5
220.02769	12.5
222.04381	24.0
236.02286	1.4
237.02802	27.5
237.04930	1.9
238.03908	1.9
240.05460	4.4
248.02274	6.3
266.03372	30.1
284.04391	20.9
289.55307	1.4
300.05304	1.6
302.03354	2.3
315.08508	1.8
332.04483	3.7
334.06110	2.5
341.66870	1.3
344.04416	3.7
352.06985	1.5
383.99979	1.3
392.06500	85.9
393.06848	3.0
410.07574	72.4
433.09409	5.8
462.11600	7.1
506.10590	100.0
506.27509	5.0
507.11011	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01853	0.5
57.03434	0.7
58.59524	0.4
61.02929	0.9
65.03938	4.7
69.03433	4.9
70.06596	0.8
70.76756	0.4
73.02920	0.9
81.03415	2.9
81.07102	0.4
83.90260	0.4
85.02903	11.8
85.06538	0.4
86.11298	0.3
87.04465	2.3
91.03954	0.8
91.05466	3.2
93.03407	9.8
97.02903	3.8
99.04435	1.2
100.87732	0.4
105.07034	0.4
107.04958	0.5
109.02860	1.8
110.03671	1.1
111.04449	8.9
115.03935	7.2
119.04948	3.4
123.44216	0.3
125.05990	23.7
127.03915	5.1
133.05014	2.4
145.02913	0.7
145.04967	6.4
145.46391	0.5
147.04411	1.0
149.05971	0.8
150.06746	0.4
151.07553	1.1
153.05464	92.8
154.05832	0.9
163.03943	0.5
163.05945	0.6
177.05403	1.5
182.11746	0.6
195.06525	100.0
196.06918	2.3
213.07530	0.7
241.06941	0.4
259.08063	1.8
277.09146	2.2
366.15848	0.4
390.22775	0.4
446.18509	0.5
506.23172	1.3
507.21619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
56.96559	9.5
70.06586	5.7
71.44247	0.7
80.04995	1.1
84.08135	2.3
86.09698	2.2
93.31318	0.6
112.99131	0.9
120.08034	1.5
122.09653	2.3
134.09642	0.9
148.11165	3.1
150.09140	1.6
152.10715	1.3
153.02219	1.0
153.05476	0.9
155.03653	0.8
159.03310	0.8
160.11159	1.2
162.12738	3.2
168.03316	1.1
168.10141	1.1
171.03278	1.0
173.01222	1.2
173.04817	0.7
178.05354	0.9
182.04897	1.0
182.11742	9.4
183.03333	1.8
192.13867	1.2
195.06476	0.8
199.02730	1.7
201.04335	1.5
204.06976	1.7
206.04872	1.5
208.06459	1.7
210.08035	1.3
217.03932	0.9
218.08478	1.1
220.06458	1.0
222.04613	1.0
222.07861	1.4
224.05907	4.1
224.09537	5.1
226.07509	2.0
232.06343	0.7
234.08060	0.8
234.14847	0.7
236.05930	2.5
236.09540	2.8
238.07460	2.2
238.11186	0.8
240.08896	1.3
242.06924	0.9
242.10614	1.7
244.08475	0.9
248.09633	1.0
250.07544	1.0
254.07025	1.7
254.10854	0.7
256.08505	1.1
262.07486	0.8
262.11169	2.6
264.09079	1.3
272.09583	4.5
274.11151	5.0
276.09045	0.9
278.10583	1.3
279.08908	1.8
288.09164	1.4
290.10620	26.6
290.13947	1.7
292.12198	10.1
292.19028	45.9
293.19318	1.5
296.11633	0.8
300.12668	2.6
302.14337	2.7
306.13663	1.7
308.11646	7.0
312.12662	1.8
316.12177	0.8
318.13708	6.5
320.15390	3.0
328.12167	1.5
330.13739	28.2
336.14575	1.4
348.14780	62.6
349.15228	1.2
366.15845	100.0
367.16278	2.6
384.17145	5.8
389.17166	3.6
390.22763	2.5
408.16849	1.0
428.17447	12.2
446.18475	62.1
447.18539	1.5
464.19717	3.9
470.18054	1.3
488.19485	13.3
506.20920	4.5
506.31668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.6
53.03939	0.9
55.01873	3.3
56.76234	0.5
57.03181	0.6
57.03435	7.3
58.98869	0.4
59.04993	0.9
59.35220	0.4
59.69452	0.5
60.04500	0.7
61.02932	6.6
65.03922	0.5
69.03065	0.8
69.03427	13.5
69.03797	0.7
70.06155	0.4
70.06571	0.8
71.01364	2.9
71.04995	0.7
71.44228	0.5
72.08145	0.7
73.02915	39.7
79.05480	1.8
81.03402	2.2
83.04954	0.8
85.02903	26.8
86.09693	2.1
87.04458	1.5
91.03940	0.8
91.05486	1.5
93.07042	0.4
95.04958	1.5
96.04488	0.6
97.02893	21.6
99.04456	1.3
102.03622	0.4
103.03940	1.5
103.05442	1.2
105.07034	3.1
107.04954	32.6
107.08567	0.6
109.02898	2.7
109.06492	0.8
115.03931	13.8
115.05443	1.8
117.06995	1.1
119.04931	0.6
120.08125	1.4
123.04418	0.5
125.06035	0.6
127.03915	7.2
132.06525	0.9
133.04976	10.8
135.08052	10.9
135.09714	0.5
136.08330	0.5
137.05940	0.8
144.06596	2.3
145.04961	11.4
145.06349	0.6
145.07574	1.2
149.05995	0.7
150.07632	1.0
154.06253	0.5
155.07011	0.7
156.06567	0.7
159.08040	0.4
162.07625	1.1
163.06038	2.5
163.07529	35.0
167.07025	8.7
173.08060	2.3
175.07547	0.8
180.07809	2.7
180.09009	0.6
183.71344	0.4
185.42307	0.4
187.07561	1.3
195.10162	100.0
196.10530	1.5
199.06021	0.6
205.08578	1.1
207.10202	2.2
213.09155	0.8
219.10225	1.1
219.99809	0.5
223.05939	1.5
223.09740	0.8
228.13446	0.5
237.11188	0.7
241.07050	1.9
249.11232	0.9
259.08145	2.0
273.11285	3.2
276.10675	1.5
291.12253	1.5
294.11838	1.8
309.13391	0.9
312.12909	1.1
327.14340	0.8
443.81754	0.5
469.25629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01857	4.3
57.03419	3.8
61.02927	8.9
67.05491	4.6
69.03430	19.9
69.19013	1.1
71.04996	2.9
73.02899	3.5
73.52225	1.2
79.05501	3.6
81.03430	7.8
81.07066	7.4
84.08110	2.2
85.02904	100.0
86.03226	1.5
86.09726	1.9
87.00818	1.9
87.04460	2.8
91.03935	4.9
91.05479	82.1
92.05785	1.2
93.07034	4.6
95.04941	3.5
95.08611	11.9
96.08105	1.4
97.02892	21.8
97.23562	1.2
99.04446	5.7
105.07026	13.5
107.08584	7.1
109.02868	8.5
109.06496	2.3
110.09676	1.7
113.05933	1.3
115.03964	1.3
115.38846	1.1
120.08106	1.5
121.06516	1.8
121.76729	1.2
122.09711	1.9
123.04447	15.8
124.11185	2.4
126.15361	1.2
127.03912	22.0
135.08029	6.3
136.11200	16.5
137.05977	10.7
145.03828	2.5
145.04962	49.7
147.11685	62.2
149.05890	1.8
150.09129	2.2
159.11690	2.1
162.09018	1.3
163.06021	20.3
164.10745	1.7
182.11845	2.1
205.12228	1.4
211.05315	1.2
217.81390	1.4
220.13310	2.4
221.80347	1.1
234.14932	1.3
250.03323	1.3
256.10712	1.1
257.11575	2.4
258.11957	5.6
268.10422	1.8
281.11578	1.3
282.12051	3.1
284.96237	1.2
289.08777	2.1
315.74796	1.2
325.11133	2.2
344.18607	3.1
355.48154	1.3
366.14328	1.7
372.21722	1.5
407.84991	1.3
414.22321	3.2
442.25977	2.5
488.26321	12.2
503.92514	1.4
506.20502	10.1
506.27335	78.1
507.18219	16.5
507.27640	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	506.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01857	4.3
57.03419	3.8
61.02927	8.9
67.05491	4.6
69.03430	19.9
69.19013	1.1
71.04996	2.9
73.02899	3.5
73.52225	1.2
79.05501	3.6
81.03430	7.8
81.07066	7.4
84.08110	2.2
85.02904	100.0
86.03226	1.5
86.09726	1.9
87.00818	1.9
87.04460	2.8
91.03935	4.9
91.05479	82.1
92.05785	1.2
93.07034	4.6
95.04941	3.5
95.08611	11.9
96.08105	1.4
97.02892	21.8
97.23562	1.2
99.04446	5.7
105.07026	13.5
107.08584	7.1
109.02868	8.5
109.06496	2.3
110.09676	1.7
113.05933	1.3
115.03964	1.3
115.38846	1.1
120.08106	1.5
121.06516	1.8
121.76729	1.2
122.09711	1.9
123.04447	15.8
124.11185	2.4
126.15361	1.2
127.03912	22.0
135.08029	6.3
136.11200	16.5
137.05977	10.7
145.03828	2.5
145.04962	49.7
147.11685	62.2
149.05890	1.8
150.09129	2.2
159.11690	2.1
162.09018	1.3
163.06021	20.3
164.10745	1.7
182.11845	2.1
205.12228	1.4
211.05315	1.2
217.81390	1.4
220.13310	2.4
221.80347	1.1
234.14932	1.3
250.03323	1.3
256.10712	1.1
257.11575	2.4
258.11957	5.6
268.10422	1.8
281.11578	1.3
282.12051	3.1
284.96237	1.2
289.08777	2.1
315.74796	1.2
325.11133	2.2
344.18607	3.1
355.48154	1.3
366.14328	1.7
372.21722	1.5
407.84991	1.3
414.22321	3.2
442.25977	2.5
488.26321	12.2
503.92514	1.4
506.20502	10.1
506.27335	78.1
507.18219	16.5
507.27640	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	506.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.6
58.06611	0.7
60.08167	5.6
67.05490	0.5
69.07056	0.3
69.74171	0.4
69.74496	0.5
71.07378	2.8
79.05442	0.3
81.07055	0.9
81.98389	0.3
86.09710	30.3
87.10072	0.3
91.05477	0.3
98.23482	0.4
98.98464	2.3
104.10735	3.0
109.10131	0.3
125.00008	21.5
135.08061	0.3
169.07971	0.3
184.07347	100.0
185.07684	1.1
215.76253	0.3
217.24541	0.2
488.31339	1.0
506.32565	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	506.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05511	2.9
57.03441	5.1
57.07060	0.5
57.71275	0.4
58.06603	31.6
59.04994	0.5
59.07382	8.2
60.08164	9.6
65.32130	0.4
67.05501	3.3
67.83441	0.4
69.07072	2.1
73.02886	1.1
75.04482	2.9
79.05499	4.1
81.07063	4.5
83.08587	0.8
84.08118	1.4
85.02879	2.0
87.04459	4.3
91.05022	0.5
91.05479	5.3
93.07048	6.3
95.04933	1.8
95.08607	2.3
96.05736	1.0
97.10133	0.5
102.05557	2.4
103.03934	1.3
103.05419	0.5
105.04524	0.5
105.05456	0.6
105.07038	8.7
107.04942	0.7
107.08602	2.9
109.06503	1.4
109.10147	0.5
111.08022	0.5
113.05997	0.7
116.10619	0.6
117.06995	1.5
117.07803	0.9
119.08593	8.5
121.06479	1.2
121.10117	1.3
123.08046	1.1
129.07043	0.4
130.07756	0.5
130.08646	1.1
131.06998	1.8
131.08569	2.2
133.10103	2.6
135.08089	0.7
135.11609	0.5
143.08572	0.9
144.09250	0.6
144.10201	4.8
145.06395	0.5
145.10132	1.4
147.11646	0.9
154.16269	0.5
157.10094	1.0
159.11679	1.2
160.09727	0.5
161.13242	4.4
162.11253	0.9
173.13329	0.5
189.18303	0.4
202.14345	1.1
218.13820	1.8
234.13486	0.9
236.14929	58.5
313.18842	0.8
331.19904	6.1
386.48764	0.5
412.44055	0.4
444.34409	0.6
488.33728	14.2
489.34213	0.6
506.34781	100.0
507.35068	4.1
528.05902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40596	0.8
55.01866	1.8
55.05515	2.3
65.03937	4.2
67.05512	4.3
68.83852	0.8
68.99804	1.6
69.07095	0.9
69.43344	3.0
71.01346	1.3
72.16348	1.1
72.63963	0.9
76.09081	0.9
78.04714	2.8
79.05499	8.3
81.07069	5.7
83.08596	1.2
89.03940	3.1
91.05489	11.4
93.07038	7.0
95.04965	5.1
95.08605	2.8
98.23475	1.7
98.98526	1.3
102.04671	1.1
102.54810	0.8
103.05467	23.5
104.06227	1.0
105.03388	4.8
105.04542	1.1
105.07025	18.0
106.04174	20.3
107.04963	1.3
107.08607	1.8
109.10168	1.1
111.04446	2.7
115.05441	6.6
117.03378	8.6
117.07052	2.5
118.04153	3.3
119.04938	2.6
119.08604	1.7
120.74200	0.8
121.02868	44.6
121.03944	4.1
121.06496	10.3
128.06245	1.2
129.06998	2.3
130.04131	1.4
131.04935	27.6
131.08563	1.3
132.05722	5.7
133.06493	22.6
133.10132	1.6
134.03653	3.2
135.04405	1.6
136.43465	1.0
143.06046	2.3
145.10133	1.0
146.03574	1.5
147.04434	1.6
147.11667	1.9
148.05193	1.3
149.05980	37.7
159.04385	1.2
159.08099	2.5
160.05240	2.6
161.05972	37.3
162.06787	2.6
163.07635	1.5
163.11151	0.9
164.04666	1.2
165.05508	1.0
167.06998	1.7
171.04410	1.0
171.11714	1.3
172.05142	1.1
175.07487	1.3
177.05473	100.0
178.05843	1.5
179.07048	5.7
181.08586	0.9
184.83719	0.9
187.07520	1.0
191.07034	7.8
192.07826	7.1
193.08603	22.5
206.07170	1.2
207.06523	6.6
209.74843	0.9
215.07021	7.8
219.08002	1.0
226.81442	0.9
234.28180	0.9
241.45444	0.9
243.21040	1.1
261.22049	1.7
277.08536	1.1
281.17422	1.8
283.15222	2.2
335.25745	2.5
337.10706	31.1
369.13336	9.0
426.43774	1.0
454.46429	0.9
475.13712	1.8
489.28186	3.1
507.29376	1.5
530.49463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.184
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
55.05486	0.3
63.19707	0.3
69.03414	0.5
69.29050	1.7
72.79733	0.3
79.62598	0.3
85.02898	1.5
91.05492	1.8
95.04956	0.4
95.08609	0.5
107.08599	0.4
119.04971	0.4
127.03938	0.4
137.06020	1.9
145.04964	0.4
146.05292	0.4
147.11641	0.6
151.07530	0.6
151.11084	0.4
274.65387	0.4
293.21014	0.4
327.11951	0.6
343.88330	0.3
345.13065	6.5
355.09995	0.5
503.73328	0.4
506.30933	0.3
507.18372	100.0
508.18741	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	507.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02816	0.8
53.03723	1.4
53.03946	10.9
55.01653	1.2
55.01880	12.5
55.05511	1.2
56.04952	0.9
57.03434	6.0
61.02925	7.5
65.03943	0.9
68.99801	5.5
69.03061	1.8
69.03431	36.3
69.07027	0.7
69.20824	5.0
71.05003	5.7
73.02917	10.2
73.23042	0.8
77.03936	1.6
79.05492	6.3
81.03416	45.9
81.07025	2.1
83.04959	0.9
85.02904	77.1
87.00828	39.2
87.04456	1.7
91.03960	3.1
91.05482	18.2
93.07054	14.8
95.04962	6.0
95.08611	0.8
97.02892	29.4
99.04453	15.1
100.07619	4.0
103.05463	14.4
105.01867	14.0
105.04562	1.4
105.07037	14.8
107.04949	36.9
107.08604	1.6
109.02880	34.6
109.06489	1.0
115.05452	2.1
117.01851	8.1
117.07018	6.5
119.04935	7.2
119.08563	1.0
120.05737	1.3
121.02897	1.2
121.06506	100.0
121.39098	0.8
122.06742	0.9
123.04417	1.0
125.05994	1.8
127.03913	45.4
129.01846	6.5
129.07060	0.9
131.04889	5.9
133.06508	8.6
135.08054	6.4
137.05963	1.7
138.06779	1.9
139.07553	1.9
141.07065	1.1
145.04962	15.3
145.06483	9.7
147.02884	3.3
147.04401	0.9
147.08093	1.4
149.05959	3.4
149.09590	1.6
150.06770	3.5
151.07538	21.9
152.08302	3.9
153.07051	1.0
153.09119	3.1
155.08574	0.9
157.06445	1.3
159.02890	19.3
159.08034	2.7
161.05977	2.6
163.07489	2.9
165.09114	50.8
166.09375	1.1
169.06502	0.9
173.05966	2.1
174.06802	2.3
175.07559	5.8
176.08205	0.8
177.09123	5.5
179.10686	3.1
187.07538	1.5
188.08333	1.7
189.09105	10.3
191.10616	1.4
195.08072	1.7
196.08813	1.6
197.05934	1.9
201.09102	3.1
203.10667	2.4
205.08607	2.5
207.10217	2.0
211.07556	1.3
211.11081	1.2
212.08263	1.1
214.09868	1.2
215.10703	1.0
217.08713	1.0
224.08272	2.7
225.09157	1.9
226.58539	0.9
227.07042	1.0
227.10680	3.8
229.08620	1.6
231.04941	4.1
231.10185	1.1
235.07542	1.0
237.09290	1.2
239.10661	2.1
240.07811	1.1
241.08655	1.5
242.09239	1.6
243.10181	2.6
245.12004	1.0
247.09732	1.2
249.05679	0.9
252.07932	1.2
253.08571	1.4
253.12321	1.2
255.10214	7.5
256.10901	1.7
259.13306	47.8
267.10178	19.6
268.10898	3.4
269.11710	14.1
271.13290	46.1
273.11304	1.9
277.08844	1.4
278.09375	1.2
279.10138	2.5
281.11682	3.6
283.13303	19.6
285.11234	4.4
291.10217	2.6
293.11642	4.9
295.13251	1.5
297.14868	2.3
301.14319	25.5
303.10165	0.9
306.12027	0.9
307.13284	2.8
313.14148	1.1
317.11566	0.9
318.12546	1.3
321.14709	4.8
325.14346	23.1
331.13284	3.7
339.15964	1.3
349.14349	42.9
367.15402	36.3
442.16675	1.1
453.15445	2.4
507.21964	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04627	1.0
67.05503	3.2
69.03419	1.9
69.07069	2.2
71.05010	1.2
79.05511	3.3
80.04994	1.1
81.03414	2.9
81.07073	3.8
83.01342	1.1
83.04977	1.4
83.08632	1.0
85.02905	2.9
85.06551	1.4
88.02234	4.6
91.05501	3.6
93.07036	2.4
94.06583	1.7
95.04991	1.7
95.08660	1.5
95.68393	1.0
97.02924	1.4
97.06529	1.6
98.23476	3.0
99.04472	1.3
99.08088	1.1
105.07026	2.5
107.04960	1.6
107.08577	1.4
109.10177	2.2
117.06988	1.7
118.06572	1.8
119.08642	1.3
120.08115	2.8
127.03892	2.2
127.44669	1.0
129.07066	1.1
130.06535	1.3
131.07378	1.1
132.08127	1.8
133.06526	1.3
133.10141	1.4
134.09651	1.5
136.11276	3.5
141.07060	1.3
144.08093	2.3
145.44899	1.1
146.06003	1.2
149.13283	1.3
149.65088	1.1
150.09229	1.4
151.07521	1.0
151.16536	0.9
155.03439	3.2
158.09695	1.3
160.07573	5.2
160.11244	1.7
160.34698	1.1
162.12819	2.5
163.13451	1.2
167.07092	1.9
170.09708	1.4
171.07982	1.0
173.08362	1.1
174.12843	4.0
179.36858	1.0
180.08362	1.3
180.50108	1.1
181.08914	1.9
182.09686	2.1
186.12857	3.1
188.14465	1.4
189.09117	1.5
190.12236	1.3
192.08157	1.8
193.08864	2.8
194.09746	4.3
195.06563	1.6
200.14377	2.1
202.12280	10.0
203.07080	2.5
203.13077	3.7
204.13847	3.9
204.17557	3.2
205.08774	1.4
206.09653	5.1
207.10350	5.2
208.07571	1.1
208.11264	5.7
209.11960	1.4
210.09206	2.5
211.13400	1.2
214.16057	2.2
220.11285	4.1
221.08330	2.8
221.11961	3.1
222.09206	3.8
222.12807	4.9
223.09894	2.0
223.13535	1.4
224.10771	3.1
224.14331	1.3
225.11493	1.3
225.15077	1.6
226.08678	2.4
226.15756	1.1
230.15466	3.4
234.09178	12.3
234.12801	1.3
235.09914	11.2
236.10692	19.3
236.14487	3.7
237.11481	5.8
238.08810	1.5
238.12335	4.8
238.15892	3.6
240.13814	1.3
248.10678	7.3
248.14622	1.2
249.11458	6.3
250.12268	15.9
250.16049	2.7
251.09589	1.8
251.12918	2.2
252.10179	2.3
252.13916	2.3
252.17647	1.2
253.11200	1.2
254.15488	2.0
256.09641	2.0
262.12335	2.0
263.13055	3.4
264.14120	5.5
264.17316	4.8
265.18143	1.7
266.12024	5.6
266.15216	5.6
267.12561	3.2
268.13333	3.9
268.17096	4.3
269.13974	1.4
277.14655	5.0
278.12576	1.4
278.15329	6.1
279.13004	1.4
279.16245	7.1
280.13306	3.4
280.17026	3.9
281.17688	2.5
282.11765	1.3
282.14914	2.1
282.18411	1.8
284.16736	1.2
289.05353	3.1
290.15259	2.1
291.16205	1.6
292.09909	1.7
292.16953	59.4
293.10596	2.4
293.17679	15.8
294.11313	3.4
294.14847	2.8
294.18594	4.5
296.16721	2.2
296.20197	2.7
297.13733	2.3
302.17746	1.5
307.15646	2.2
308.13065	1.8
308.16446	3.9
309.17316	3.3
310.17886	4.8
311.18646	1.6
312.16010	12.8
322.17972	3.5
323.14447	1.8
324.13986	2.5
324.19574	56.1
325.20239	8.3
326.15695	10.4
330.17093	9.6
335.14984	2.7
336.15860	2.0
337.17050	1.4
340.19080	6.9
344.13028	1.2
346.14798	2.8
350.17535	10.0
351.17914	1.3
358.19467	1.7
366.17154	1.2
368.18555	43.5
369.19843	4.3
372.16473	1.2
386.19611	28.5
390.71768	1.3
400.15897	2.8
402.17484	2.4
413.18872	7.9
414.19424	1.2
418.16861	5.9
433.18030	4.1
436.23428	1.2
445.21518	24.1
446.21671	1.2
463.22961	2.1
489.20731	11.3
507.21686	100.0
508.22083	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01866	0.7
55.05505	0.8
57.03442	0.8
64.26482	0.4
66.58546	0.4
67.05498	1.4
68.12000	0.3
69.03439	2.3
71.04982	0.7
79.05508	2.8
81.03415	3.8
81.07051	1.5
83.04983	0.5
83.08595	0.6
83.13419	0.4
85.02905	5.3
87.00844	2.3
91.05473	3.7
93.07059	5.1
95.04970	1.9
95.08597	1.1
97.02883	4.1
97.06522	0.5
99.04469	0.9
103.05449	3.6
105.01886	1.0
105.04520	0.7
105.07039	5.8
107.04945	4.3
107.08584	0.7
108.08868	0.4
109.02884	1.4
109.10178	0.9
111.08112	0.5
113.30512	0.4
117.07021	0.6
119.04917	0.6
119.08538	0.6
120.05756	1.1
120.23360	0.5
121.02825	0.6
121.06505	24.3
121.10112	0.6
127.03912	3.3
131.04860	0.5
131.08575	0.9
133.06528	0.6
133.10086	0.5
135.08058	2.2
137.05995	0.6
139.07536	0.5
145.04927	1.2
145.06531	0.9
145.10074	0.7
149.05927	0.5
150.06750	2.0
151.07552	2.7
152.08318	0.8
153.09068	0.9
159.02904	0.9
163.11244	0.5
165.09116	23.1
166.09433	0.6
175.07576	0.6
185.04349	0.8
189.09074	0.7
203.05234	2.1
219.15878	0.4
227.05188	0.7
231.05038	0.6
245.06332	3.6
245.97652	0.5
259.13306	36.4
259.16528	2.0
260.13565	0.5
267.10095	0.6
269.11752	0.9
271.13300	3.8
287.03687	0.7
289.05276	6.7
301.14130	0.6
325.14386	1.0
349.14362	1.9
367.15503	1.6
369.13525	0.7
421.22025	7.6
445.21851	0.7
463.22980	19.0
507.22015	100.0
508.22437	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	507.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26379	0.3
55.05516	3.2
57.03444	5.9
57.07080	17.6
67.05511	5.1
69.03412	0.4
69.07067	3.2
69.31903	1.8
71.08637	12.2
79.05483	0.7
81.03414	0.4
81.07063	6.9
83.08617	4.0
85.06555	0.4
85.10195	6.3
89.06019	1.1
91.05454	1.0
92.92467	0.4
93.07019	1.0
95.05010	0.4
95.08611	7.9
97.10168	2.2
103.07574	0.6
107.08597	0.7
109.10177	3.6
112.83434	0.3
115.03699	1.0
120.18643	0.3
120.96613	0.5
121.10111	0.4
123.11701	1.1
129.07024	0.3
153.06898	0.3
156.97481	0.8
164.85098	0.4
174.98615	0.6
176.99261	4.0
195.00308	100.0
213.00072	1.1
239.23679	1.0
243.20952	0.4
257.24701	1.0
269.04037	0.9
269.34937	0.4
313.27380	24.8
314.27652	0.8
334.07523	0.4
335.25717	0.4
451.22818	0.5
461.73349	0.4
489.25793	1.0
506.39117	0.5
507.26849	16.7
507.32980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.272
Annotation	Isoamoritin
Peak:m/z	Relative Intensity
60.28801	0.3
70.93905	0.3
70.96519	0.6
97.57788	0.4
133.10149	0.4
196.95058	0.3
318.69464	0.3
359.18460	0.8
396.73972	0.4
507.27176	100.0
508.27545	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	507.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
57.03434	2.5
57.07078	11.5
67.05501	2.5
68.70811	0.7
69.07070	3.1
69.40114	1.9
69.40515	1.1
71.08633	7.3
81.07064	3.1
83.08602	1.4
85.10181	3.3
89.06043	1.1
95.08583	4.2
97.10198	1.3
104.99290	4.9
107.04863	0.6
109.10158	2.2
115.03641	0.9
145.02852	1.0
150.89607	0.6
169.41211	0.6
176.99217	3.0
177.05438	3.2
178.05836	1.6
179.06000	0.8
195.00301	58.9
196.06140	0.6
197.02696	0.8
200.69298	0.6
313.27380	16.0
313.30936	1.2
337.52756	0.7
373.26874	1.6
391.26736	2.4
425.32379	100.0
426.32550	3.8
433.27707	1.6
447.29877	1.4
465.30298	4.0
507.26517	17.5
507.31851	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	508.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59929	0.8
53.03943	2.6
55.01863	3.8
55.05509	3.2
57.03425	3.0
61.02916	1.9
66.99699	0.9
67.05510	4.4
68.99789	1.2
69.03430	12.1
69.07064	2.0
71.04987	3.0
73.02915	1.9
73.06555	100.0
79.05482	2.4
81.03412	10.0
81.07062	6.7
83.04971	1.6
83.08613	2.2
85.02406	1.6
85.02907	29.8
85.06523	1.8
86.09698	0.8
87.00338	1.7
87.00828	15.7
91.05476	3.7
93.07041	3.1
95.08607	5.5
97.02892	17.5
97.06541	1.8
97.10161	1.3
99.04463	4.8
99.08054	1.4
100.11237	1.7
105.01862	23.5
105.06991	2.2
107.08600	3.2
109.02878	11.4
109.06556	0.9
109.10160	3.6
111.04436	1.8
115.03903	1.2
117.01894	1.3
119.08575	2.9
120.08107	1.3
121.10129	2.0
125.01553	2.4
125.09620	1.7
127.03909	21.7
129.01880	1.2
129.07001	3.6
130.07803	5.4
133.10107	1.9
135.11731	1.9
137.05983	2.2
137.09662	1.0
137.13333	1.0
145.04942	11.3
147.11719	1.7
149.13228	1.2
151.14799	1.0
155.02565	14.4
159.02916	5.2
165.04659	26.6
165.16408	1.1
168.13803	1.1
169.04173	10.8
182.11815	0.9
182.15445	2.4
189.16393	2.5
193.04071	0.9
193.12195	1.0
197.07329	2.4
202.12283	1.3
207.17476	4.4
210.14809	1.7
211.13403	1.1
212.10945	0.9
213.03970	1.0
225.06764	60.4
225.18504	8.1
226.07033	1.5
227.12704	1.1
231.04883	4.3
243.07846	3.6
243.19551	1.4
249.06036	2.0
271.77759	0.9
285.45285	1.1
289.05258	3.3
426.16238	1.0
462.24609	1.1
485.23828	1.1
507.38855	2.1
508.23117	6.0
508.39072	2.5
509.22888	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	508.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
55.01873	5.9
55.02093	1.0
55.05509	2.0
57.03437	4.0
57.07086	0.9
59.05001	5.1
61.02924	3.2
67.05506	3.7
68.99797	1.6
69.03429	20.0
69.07071	2.1
71.05013	4.8
73.02914	4.8
73.06558	14.3
74.04836	0.7
76.25204	0.8
79.05503	3.1
80.26112	0.9
81.03421	16.5
81.07067	4.4
83.08637	2.3
85.02907	49.7
85.06532	1.3
87.00831	22.2
87.04510	0.8
91.03958	1.2
91.05484	3.2
93.07057	2.6
95.04986	1.3
95.08608	2.8
97.02897	20.6
97.06544	2.1
97.10152	1.3
99.04460	12.7
99.08102	1.4
101.05994	0.7
103.05489	0.8
105.01868	18.4
105.02541	1.5
105.07037	2.5
107.04971	0.8
107.08594	2.0
109.02882	13.1
109.10165	1.8
111.08079	1.4
111.62480	0.8
113.01551	1.2
113.05991	1.9
115.03931	1.7
117.01871	1.9
119.08575	1.6
119.69805	0.7
120.08081	1.1
121.06474	0.8
121.10141	1.5
123.11750	0.9
125.01550	44.9
125.09576	0.8
126.01838	1.1
127.03918	32.1
127.49154	0.7
129.01801	1.1
129.07021	2.7
130.07838	3.7
131.08597	1.1
133.10164	0.8
139.03099	9.6
139.04053	1.0
141.00983	4.3
145.04959	14.4
145.10144	1.3
149.13318	1.5
155.02592	13.4
159.02884	8.6
165.04672	55.4
169.00497	8.5
169.04201	2.5
183.02083	3.3
183.05750	5.5
186.32622	0.8
189.03987	1.4
197.13324	0.8
197.15253	1.3
203.07028	1.8
207.17482	3.3
211.05208	100.0
212.05501	1.8
225.06757	20.6
225.12761	1.4
225.18495	4.4
231.05022	6.3
243.07838	63.0
243.19510	1.7
244.08215	1.1
249.06018	1.0
252.07701	1.3
269.15381	0.8
287.03702	1.1
289.05334	4.9
308.36685	0.8
311.18527	2.7
311.22015	1.1
324.64120	0.8
349.23868	0.9
394.16470	0.9
406.80505	0.8
472.23117	1.0
490.20898	1.7
508.23126	6.4
508.40659	1.2
509.23456	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	508.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59929	0.8
53.03943	2.6
55.01863	3.8
55.05509	3.2
57.03425	3.0
61.02916	1.9
66.99699	0.9
67.05510	4.4
68.99789	1.2
69.03430	12.1
69.07064	2.0
71.04987	3.0
73.02915	1.9
73.06555	100.0
79.05482	2.4
81.03412	10.0
81.07062	6.7
83.04971	1.6
83.08613	2.2
85.02406	1.6
85.02907	29.8
85.06523	1.8
86.09698	0.8
87.00338	1.7
87.00828	15.7
91.05476	3.7
93.07041	3.1
95.08607	5.5
97.02892	17.5
97.06541	1.8
97.10161	1.3
99.04463	4.8
99.08054	1.4
100.11237	1.7
105.01862	23.5
105.06991	2.2
107.08600	3.2
109.02878	11.4
109.06556	0.9
109.10160	3.6
111.04436	1.8
115.03903	1.2
117.01894	1.3
119.08575	2.9
120.08107	1.3
121.10129	2.0
125.01553	2.4
125.09620	1.7
127.03909	21.7
129.01880	1.2
129.07001	3.6
130.07803	5.4
133.10107	1.9
135.11731	1.9
137.05983	2.2
137.09662	1.0
137.13333	1.0
145.04942	11.3
147.11719	1.7
149.13228	1.2
151.14799	1.0
155.02565	14.4
159.02916	5.2
165.04659	26.6
165.16408	1.1
168.13803	1.1
169.04173	10.8
182.11815	0.9
182.15445	2.4
189.16393	2.5
193.04071	0.9
193.12195	1.0
197.07329	2.4
202.12283	1.3
207.17476	4.4
210.14809	1.7
211.13403	1.1
212.10945	0.9
213.03970	1.0
225.06764	60.4
225.18504	8.1
226.07033	1.5
227.12704	1.1
231.04883	4.3
243.07846	3.6
243.19551	1.4
249.06036	2.0
271.77759	0.9
285.45285	1.1
289.05258	3.3
426.16238	1.0
462.24609	1.1
485.23828	1.1
507.38855	2.1
508.23117	6.0
508.39072	2.5
509.22888	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	508.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01868	1.1
57.03437	1.1
59.62513	0.6
62.74257	0.6
67.05500	0.8
68.99799	0.5
69.03420	3.5
70.06582	3.2
71.04971	0.5
73.02905	0.6
81.03397	2.1
81.07061	0.7
85.02905	6.7
85.66548	0.5
86.95889	0.5
87.00834	2.5
87.67669	0.5
91.05478	1.5
93.07020	1.3
93.96307	0.5
95.04961	0.6
97.02877	2.4
99.04469	1.2
105.01855	1.9
107.04888	0.6
109.02866	1.6
111.04470	0.6
121.06501	6.9
123.04427	1.0
126.05484	0.7
127.03928	4.0
136.11256	0.6
145.04953	1.8
155.08481	0.8
159.02940	0.8
165.07002	2.1
167.08560	1.5
182.07289	1.5
183.08038	4.1
189.03958	0.9
195.08086	0.7
197.09622	5.5
208.46399	0.6
210.06766	2.4
211.07533	7.5
212.08292	5.0
215.10663	1.6
225.09108	7.5
226.09894	0.6
228.07777	4.6
231.04958	0.9
236.08302	1.1
238.06314	0.7
239.10695	0.9
241.08623	1.1
243.10165	100.0
244.10535	2.5
252.07642	0.9
253.08629	2.4
267.10168	10.5
268.10443	0.7
270.15030	0.7
281.11740	0.9
283.13348	0.7
285.11224	4.9
285.14835	6.0
288.15869	2.6
305.11896	0.8
309.11209	4.5
333.11203	2.2
351.12265	4.5
416.63126	0.6
490.20502	1.0
507.27753	0.7
508.20914	2.0
508.28064	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	508.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01868	1.1
57.03437	1.1
59.62513	0.6
62.74257	0.6
67.05500	0.8
68.99799	0.5
69.03420	3.5
70.06582	3.2
71.04971	0.5
73.02905	0.6
81.03397	2.1
81.07061	0.7
85.02905	6.7
85.66548	0.5
86.95889	0.5
87.00834	2.5
87.67669	0.5
91.05478	1.5
93.07020	1.3
93.96307	0.5
95.04961	0.6
97.02877	2.4
99.04469	1.2
105.01855	1.9
107.04888	0.6
109.02866	1.6
111.04470	0.6
121.06501	6.9
123.04427	1.0
126.05484	0.7
127.03928	4.0
136.11256	0.6
145.04953	1.8
155.08481	0.8
159.02940	0.8
165.07002	2.1
167.08560	1.5
182.07289	1.5
183.08038	4.1
189.03958	0.9
195.08086	0.7
197.09622	5.5
208.46399	0.6
210.06766	2.4
211.07533	7.5
212.08292	5.0
215.10663	1.6
225.09108	7.5
226.09894	0.6
228.07777	4.6
231.04958	0.9
236.08302	1.1
238.06314	0.7
239.10695	0.9
241.08623	1.1
243.10165	100.0
244.10535	2.5
252.07642	0.9
253.08629	2.4
267.10168	10.5
268.10443	0.7
270.15030	0.7
281.11740	0.9
283.13348	0.7
285.11224	4.9
285.14835	6.0
288.15869	2.6
305.11896	0.8
309.11209	4.5
333.11203	2.2
351.12265	4.5
416.63126	0.6
490.20502	1.0
507.27753	0.7
508.20914	2.0
508.28064	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	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03953	0.5
53.61590	0.3
55.01863	0.5
57.03441	0.9
61.02922	1.7
65.06664	0.3
67.66808	0.3
68.74807	0.4
69.03433	3.2
69.50726	1.3
71.04990	0.6
77.03924	0.5
81.03414	2.1
85.02910	15.4
87.24327	0.3
89.33475	0.3
91.03964	1.0
97.02893	4.6
99.04475	1.1
103.05471	32.2
104.05829	0.4
109.02872	1.0
112.57281	0.4
121.06509	0.9
127.03908	2.8
131.04933	50.8
132.05269	0.6
138.65303	0.3
141.30688	0.4
145.02893	0.5
145.04962	6.7
149.05981	100.0
150.06348	1.4
163.06041	1.1
169.54747	0.4
177.05457	0.9
311.11209	1.7
361.22021	0.4
458.27219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22743	0.3
60.89355	0.2
69.03433	0.4
70.02598	0.7
70.06615	0.5
76.81513	0.2
77.03929	0.3
79.05490	0.4
84.08157	0.3
85.02905	0.5
90.06869	0.2
91.05486	0.6
91.40714	0.2
93.07028	1.3
95.04955	0.4
97.02892	0.4
98.22707	0.3
103.05460	5.9
103.06100	0.3
107.04955	1.5
107.31319	0.3
116.27620	0.2
119.73027	0.2
120.08100	100.0
121.08427	1.4
127.03907	0.3
131.04927	2.5
133.02795	0.2
144.77640	0.2
149.06003	2.1
163.03920	0.3
166.08630	58.3
167.08961	0.9
176.11705	0.2
336.32867	0.2
508.27158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01878	1.9
55.05499	1.4
57.03438	1.7
61.02916	2.7
62.91005	1.0
69.03440	10.4
70.06593	1.9
71.04970	2.6
73.02911	2.2
81.03409	6.9
85.02402	2.0
85.02904	29.6
87.04459	7.7
90.24647	1.0
91.03939	2.5
91.05495	7.2
97.02900	10.8
99.04443	2.7
103.03925	3.3
103.05422	1.2
105.07022	1.5
109.02890	4.3
114.40622	1.1
115.03932	27.9
119.04947	22.3
120.08105	1.4
122.03600	3.3
127.03939	12.8
128.04195	1.1
131.04953	2.0
133.04968	9.9
137.05980	100.0
145.04964	18.8
147.04408	48.2
147.05594	2.5
148.04808	1.4
149.05939	5.7
151.07472	2.4
152.10732	1.2
153.05467	2.1
160.64818	1.1
162.12750	4.3
162.13951	1.1
163.06042	3.6
167.07076	1.2
177.05441	1.3
179.07036	43.3
189.86797	1.1
191.07018	3.6
195.06532	3.5
197.08105	17.8
204.13838	4.3
215.07071	1.8
215.11755	1.1
217.07039	1.7
225.14868	3.0
229.08604	2.7
233.08064	3.3
257.08060	5.6
258.46304	1.5
259.08121	3.0
260.16443	2.3
275.09113	4.1
277.09192	7.4
293.10233	2.8
294.15231	1.8
311.11185	2.5
335.63553	1.2
388.21234	4.3
407.13397	2.3
422.19913	2.5
490.16827	1.9
508.20117	9.7
509.23309	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	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67850	0.8
53.03942	4.1
53.53971	0.9
54.86280	0.9
55.01871	3.0
57.03425	4.1
61.02932	8.2
64.37063	0.8
69.03428	28.6
70.05203	2.9
70.06590	1.3
71.04989	3.1
73.02918	9.2
80.85766	0.9
81.03416	19.6
85.02903	100.0
87.04465	21.5
91.03972	8.2
97.02892	33.1
98.97584	1.1
99.04456	7.0
101.02387	1.4
103.03951	2.1
103.95613	1.0
109.02881	14.2
115.03930	90.0
117.05412	0.9
119.04941	3.6
119.08565	1.2
127.03912	50.7
131.04919	1.4
133.03949	1.8
133.04962	35.1
137.05968	14.0
145.04959	75.3
147.04396	8.9
147.90504	1.0
149.09631	0.9
151.03978	1.1
158.99692	1.0
163.03949	1.9
163.06035	11.4
163.07332	1.6
179.07040	4.6
197.08148	2.0
217.07004	1.2
225.14963	2.5
241.07155	2.2
245.08086	0.9
259.08121	18.1
277.09189	22.9
287.08722	1.2
324.11954	1.0
423.77869	1.0
471.69394	0.9
508.21259	4.4
508.27451	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	508.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01859	1.7
57.03439	1.9
61.02928	3.3
61.98871	0.9
63.57826	0.8
69.03423	8.2
69.40456	3.2
70.06600	1.7
73.02911	3.7
81.03407	5.5
81.07049	1.2
85.02909	33.4
87.04480	6.1
91.03972	1.9
91.05490	9.5
95.04955	1.9
97.02882	10.1
98.22724	1.1
99.04440	1.9
103.03951	3.7
105.07063	1.0
107.04941	1.1
109.02893	2.9
109.06514	1.2
115.03931	29.1
119.04939	25.9
120.08054	1.2
122.03671	3.2
125.05981	1.3
127.03928	17.5
131.04936	1.9
133.04980	10.6
137.05981	100.0
138.06314	1.2
145.04968	20.7
147.04413	53.2
149.05981	3.9
151.07611	1.5
153.05472	3.6
162.12764	2.2
163.06020	2.6
163.07446	1.2
167.07037	1.3
177.05461	1.9
179.07039	45.6
191.07034	3.9
195.06541	2.8
197.08119	12.0
203.07074	2.9
204.13878	2.2
207.13736	1.0
215.07089	2.4
217.07115	2.8
225.14635	1.2
229.08475	1.8
233.08102	3.2
257.08121	4.0
259.08081	4.1
275.09113	3.3
277.09238	6.5
293.10165	2.5
305.16959	0.9
311.11310	1.2
341.31561	0.8
388.21262	2.1
407.13321	2.2
508.19839	10.2
508.26022	1.2
509.23041	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	508.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60912	0.2
52.03170	0.3
53.03940	1.1
55.01865	1.3
55.05509	0.4
57.03438	1.0
61.02918	0.6
67.05489	0.3
68.99785	0.5
69.03428	4.9
69.80915	0.6
69.81286	0.6
70.06598	1.6
71.04985	0.4
73.02907	1.1
76.70247	0.3
77.03921	0.4
79.05488	3.5
81.03413	4.1
81.07053	0.3
85.02902	14.7
87.00825	4.1
91.03926	0.3
91.05462	1.6
93.07046	0.4
95.04954	1.0
97.02888	4.8
98.23354	0.4
99.04459	2.6
99.08074	0.4
103.05443	2.6
105.01867	4.6
105.07025	100.0
106.05790	0.3
106.07365	1.5
107.08567	1.1
109.02866	4.0
109.06508	0.4
111.08083	0.3
115.05447	0.4
117.01844	0.6
117.06997	0.4
121.06497	0.5
122.07250	0.5
127.03909	11.1
129.01830	0.8
133.06470	0.6
135.08038	1.3
137.09586	0.4
139.07523	0.4
145.04938	6.8
146.09627	0.4
147.02893	1.2
147.08064	1.0
150.06740	1.0
151.07541	9.8
152.08321	0.3
159.02905	4.1
165.09108	17.6
165.31422	0.3
189.03966	0.6
204.21147	0.4
213.03929	0.8
231.04974	2.5
235.52473	0.3
237.12617	0.7
243.13795	72.7
244.14143	2.3
267.13779	3.8
275.20306	0.3
279.13681	0.4
285.14886	1.9
293.21109	0.9
309.14832	4.5
333.14771	2.0
351.15808	2.3
367.24890	2.2
455.16800	1.0
508.21362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75241	1.6
53.03944	2.7
55.01872	2.8
57.03436	13.4
57.40228	1.6
61.02923	8.5
62.17099	1.8
69.03432	28.8
70.06595	2.1
70.41797	4.2
71.01337	1.8
73.02911	10.7
79.05500	10.7
81.03416	20.2
81.07069	3.3
85.02906	93.0
87.04479	12.7
91.03970	5.8
91.05481	64.2
95.04971	3.7
95.08590	2.1
97.02895	28.8
99.04440	6.6
101.02361	2.1
103.03946	34.3
103.05432	2.3
105.03397	65.6
105.04470	3.1
105.07033	100.0
109.02865	13.3
109.06530	3.8
115.03930	47.6
123.04429	14.9
127.03915	42.4
133.04956	14.7
137.05969	43.5
141.01816	2.9
145.04958	51.5
149.02341	7.7
157.05005	5.9
161.05948	5.4
163.06010	4.9
175.06067	4.4
179.07033	87.7
180.07401	2.5
193.04985	6.6
193.08603	33.5
197.08136	2.0
215.10660	55.3
217.07008	15.7
222.34036	1.6
237.07646	8.5
239.10657	15.8
251.10603	2.4
257.11710	29.3
259.08121	17.7
277.09302	4.6
281.11679	16.6
297.11240	21.4
305.11771	8.1
323.12781	18.1
341.13760	3.1
353.13821	6.1
413.15607	2.4
445.50348	1.9
473.14307	2.7
508.22693	13.9
509.23404	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
54.55885	1.9
55.01876	4.5
55.05508	5.1
57.03426	6.5
57.07075	2.6
61.02922	7.2
67.05511	9.9
69.03118	2.4
69.03432	28.4
69.07060	5.4
71.04984	4.1
71.08622	4.5
73.02907	6.3
73.61457	1.8
79.05469	5.9
81.03415	21.2
81.07056	33.7
83.04961	3.1
83.08634	2.6
85.02403	3.6
85.02903	69.1
85.06528	2.6
87.04468	20.2
91.03960	6.3
91.05479	30.1
93.07030	10.9
93.70178	1.7
95.04961	8.2
95.08626	10.5
97.02893	28.0
97.06521	4.7
99.04468	8.9
99.08082	3.7
105.01870	2.3
105.03385	14.2
105.07005	8.2
105.32816	1.8
107.08579	14.1
109.02863	9.4
109.06506	20.8
109.10146	10.5
111.04449	2.5
115.03923	55.3
117.07013	2.3
119.08577	4.2
121.06489	2.2
121.10122	2.1
123.04394	8.9
123.08089	5.4
123.11713	41.1
125.06001	6.1
127.03898	38.2
129.55281	1.8
133.05003	12.9
133.10114	14.5
135.08014	4.7
137.05962	8.5
137.09601	2.9
141.05472	4.3
145.04958	38.7
151.03926	3.1
151.11177	60.4
161.09602	8.8
163.06015	5.2
169.12299	6.8
179.10664	63.0
197.11726	100.0
207.17436	2.9
215.12772	72.4
225.12730	3.6
225.18433	5.4
243.10147	17.1
259.08118	7.5
267.10226	2.3
277.09164	12.1
285.11264	3.1
293.21271	2.1
311.18677	2.5
311.22119	2.9
334.40060	2.1
508.22821	11.3
508.41214	2.2
509.23395	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	508.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01878	6.4
55.05509	25.2
57.03436	22.9
57.07080	4.0
65.03948	2.7
67.05166	4.4
67.05507	67.7
69.03426	10.6
69.07064	22.5
69.25968	15.1
71.04996	24.6
77.03916	3.0
79.05496	57.5
81.03415	5.5
81.07054	87.9
83.04977	7.5
83.08604	11.9
85.02918	21.2
85.06544	12.3
87.04462	12.3
91.05475	24.4
93.07046	67.1
95.04957	3.8
95.08607	86.8
97.02889	4.8
97.06537	11.4
97.10172	8.1
99.04411	2.8
99.08072	10.9
100.11236	7.5
101.06031	6.2
105.07065	16.5
107.07922	4.1
107.08592	43.9
109.02873	4.4
109.06524	3.2
109.10155	40.2
111.08102	13.3
113.09657	5.6
115.03925	10.6
115.07558	10.7
117.07008	9.5
119.08595	22.7
121.06442	2.8
121.10149	44.9
123.08080	4.8
123.11691	14.8
125.09644	9.8
127.03915	4.7
129.05484	8.3
131.08583	16.3
133.10124	23.9
135.11699	37.5
137.09552	4.0
137.13220	2.9
139.11063	2.4
145.10114	15.3
147.11665	16.5
149.13255	31.1
151.11209	3.5
155.10715	3.1
159.10461	2.6
159.11671	15.7
161.13269	21.8
163.14803	9.0
165.12778	3.0
169.12244	4.5
173.11917	3.9
173.13210	18.2
175.14832	10.0
177.16370	9.3
179.14287	5.1
182.15434	4.8
183.10275	3.7
187.14783	5.4
189.16451	4.8
192.09344	2.9
195.17415	5.2
197.11635	4.0
197.15350	5.9
201.16411	3.5
204.95552	2.9
207.17351	6.0
215.12672	4.3
225.12943	2.8
225.14830	15.7
225.18523	11.1
229.19550	20.2
239.16289	5.0
243.10165	5.6
243.15967	11.0
243.19580	2.7
247.20555	20.5
253.17947	8.4
265.21609	43.4
275.59058	2.5
293.21121	100.0
294.21317	3.4
311.22110	42.7
312.22058	2.5
329.23245	12.6
388.20911	3.2
508.22458	35.9
508.39633	9.6
509.23166	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	508.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05511	16.1
56.05035	0.7
57.03436	7.6
57.07075	8.5
57.14085	0.7
67.05505	11.0
69.07068	26.7
69.74107	2.2
70.06580	1.7
71.05027	0.6
71.08626	3.5
72.08154	59.1
74.06062	2.4
74.09717	0.9
79.05507	3.9
81.07058	14.8
83.08619	14.7
85.06536	0.7
85.10199	2.0
90.09178	0.8
91.05489	0.7
93.07048	4.8
95.08606	14.2
96.48219	0.6
97.06534	1.8
97.10160	10.1
99.25571	0.6
102.54134	0.7
107.08582	3.6
109.06510	0.7
109.10143	5.8
111.08049	1.1
111.11710	2.5
121.06534	1.2
121.10155	5.7
123.08041	0.7
123.11691	1.6
125.09642	1.4
135.11696	4.5
149.13268	2.5
170.05772	63.1
170.42923	0.7
177.16306	0.8
184.07463	0.7
195.00337	2.8
212.75836	0.6
244.09435	0.7
247.24290	0.8
265.25204	1.2
337.27411	1.3
339.28925	100.0
340.29202	2.4
353.70905	0.7
430.43402	0.7
508.21600	0.9
509.20422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05031	0.5
57.03423	0.2
58.06350	0.2
58.06633	0.5
60.08162	5.7
61.66813	0.1
67.05516	0.3
69.07059	0.4
71.07368	2.6
73.74592	0.1
79.05483	0.1
81.07050	0.3
83.08596	0.2
86.09702	29.2
95.08588	0.3
97.10180	0.1
97.54205	0.1
98.98458	2.6
101.46073	0.1
104.10742	2.6
108.75547	0.1
110.09639	0.1
111.55083	0.1
121.10158	0.1
125.00000	19.6
184.07333	100.0
185.07669	0.6
258.10962	0.3
313.16824	0.1
325.27332	0.2
490.32990	1.0
508.21848	0.3
508.33932	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	508.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	29.0
57.03444	6.1
57.07079	16.1
61.02938	4.6
67.05506	34.9
69.07070	41.2
71.08630	8.6
71.43420	3.8
73.02954	3.0
79.05489	10.6
81.07065	59.6
83.08630	35.3
85.02897	8.0
85.10183	3.5
86.09724	9.2
91.05439	3.3
93.07036	19.8
93.95462	4.1
95.08608	38.9
97.06536	8.5
97.10164	30.2
104.10732	5.3
107.08621	20.8
109.04854	3.3
109.10165	19.0
111.08111	6.3
111.11684	5.5
121.10153	43.1
123.11704	13.6
125.00010	4.3
125.09644	5.0
135.11705	35.5
137.13257	11.6
149.13246	11.7
153.12659	3.3
160.24191	2.9
163.03900	3.9
163.14803	7.9
183.02577	3.3
184.07338	40.1
219.21092	53.3
237.22157	100.0
255.23309	26.1
311.25812	92.8
321.47681	3.5
329.26855	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75866	1.8
53.58540	2.0
55.05516	29.1
57.03438	5.5
57.07081	12.0
61.02919	4.6
63.58187	2.3
67.05507	40.4
69.03428	2.1
69.07069	43.2
71.04984	2.5
71.08644	7.8
73.02937	2.8
73.20684	2.0
79.05495	20.8
81.07060	54.2
83.08627	40.1
85.02917	9.5
85.06548	2.5
85.10178	2.9
86.09713	4.0
91.03973	2.4
91.05482	3.9
93.07052	26.1
95.04967	2.5
95.08616	43.9
97.02908	3.4
97.06538	8.4
97.10165	22.9
97.16177	2.1
98.22683	3.4
99.08005	2.4
104.10760	7.0
105.06953	2.6
107.08601	20.2
109.02888	2.3
109.10173	17.2
111.08110	8.1
111.11737	6.1
113.09684	2.3
119.08567	2.8
121.10146	49.7
123.11720	18.0
125.09650	5.3
126.77070	2.0
127.03927	2.1
133.10120	2.4
134.49474	1.9
135.11697	33.7
137.13292	9.7
137.77493	2.0
139.11140	2.6
149.13274	15.1
163.14819	6.0
177.16385	2.3
181.18243	1.9
184.07306	4.6
219.21091	47.5
237.22148	100.0
239.76149	2.2
255.23215	17.8
311.25790	71.3
329.26883	37.1
345.24326	2.2
363.25287	5.0
374.36224	2.3
381.26187	2.8
399.27365	4.1
450.51871	2.2
508.33981	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	508.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01892	1.3
55.05513	23.4
57.03442	11.3
57.07076	19.5
67.05505	26.4
69.07067	34.0
69.29330	6.2
71.04993	2.3
71.08630	15.0
75.04494	1.2
79.05488	11.9
81.06575	2.0
81.07056	39.6
83.04973	1.9
83.08625	29.3
85.02097	1.1
85.06525	2.7
85.10188	8.9
86.09666	2.1
91.05501	2.4
93.07052	16.0
95.08604	36.2
97.06539	8.8
97.10167	21.3
98.98494	2.2
99.08100	1.7
104.10757	4.6
105.07008	1.8
107.08602	13.1
109.10161	17.8
111.08083	7.4
111.11718	3.9
115.07580	1.7
119.08557	1.4
121.10136	17.2
123.11708	8.4
125.09644	4.7
129.09084	2.4
133.10150	2.2
135.11691	16.8
137.13248	2.5
137.92104	1.3
139.11147	7.4
143.10721	1.8
145.10063	1.1
147.11674	1.9
149.13272	8.9
153.12755	5.0
163.14841	4.8
165.16264	1.3
167.14351	2.4
175.14810	1.7
177.16441	4.0
181.15863	1.5
184.07359	4.1
191.17986	1.9
192.53015	1.3
205.19527	1.8
237.22130	2.1
261.25781	4.9
279.26950	3.2
289.25305	3.0
307.26303	4.6
311.25769	2.0
325.27344	1.6
337.27399	9.5
343.28421	23.9
381.29971	63.2
399.31039	39.6
400.31320	1.5
455.33490	11.1
473.34726	100.0
474.35010	3.7
508.19189	2.0
508.34583	2.1
509.22809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53391	4.4
55.05502	15.0
55.81600	4.0
57.03429	11.9
57.07069	15.4
67.05518	20.7
69.07070	30.9
69.22322	6.7
69.22726	17.4
71.08636	11.0
75.04502	3.8
75.87981	4.2
79.05484	6.8
81.07037	23.4
83.08618	16.7
85.10154	5.2
93.07045	13.7
95.08589	23.7
95.62791	4.8
97.06526	7.8
97.10174	15.5
107.08588	10.9
109.10154	8.3
111.11783	4.6
121.10168	8.7
123.11655	4.9
125.09649	5.2
128.30508	4.0
135.11714	8.6
149.13219	8.4
153.12805	4.6
196.21582	4.0
272.06122	4.9
343.28485	24.8
381.29846	28.4
399.31088	26.8
455.33838	21.5
473.34753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.5
51.02372	1.1
53.03947	1.9
55.01863	0.3
59.38793	0.2
69.84777	0.5
69.85159	0.5
77.03921	2.2
79.05510	0.2
95.04962	9.7
98.22812	0.3
102.04668	0.3
103.05475	1.7
105.03387	100.0
105.04520	5.5
106.03723	0.9
115.03927	0.2
115.05444	0.2
118.04150	1.4
130.04132	1.2
131.04924	2.8
146.03662	0.4
148.05183	0.5
151.03909	6.1
151.04961	0.4
161.05980	0.6
163.07599	0.6
167.07002	0.3
173.06015	0.9
176.04703	2.3
177.05511	0.2
178.06306	0.7
187.07481	0.4
191.07022	35.1
192.07455	0.4
195.06517	0.3
270.58301	0.2
278.30780	0.2
313.10818	1.4
428.10474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
53.33526	1.1
55.01867	4.0
55.05525	1.6
56.52062	1.0
57.03429	2.9
58.03899	1.0
58.19667	1.2
59.22058	1.0
61.02921	2.2
69.03428	14.4
69.07053	4.3
69.23125	6.7
70.06590	1.4
71.04995	1.7
73.02918	2.5
79.05530	1.2
81.03420	10.3
81.07070	1.5
85.02905	32.1
85.75792	1.0
87.00826	14.2
91.05479	72.3
93.07030	1.8
95.08609	1.4
97.02893	11.5
99.04456	8.8
105.01874	9.8
105.07032	41.7
105.07740	2.0
109.02856	9.6
111.08056	4.1
115.05420	1.4
117.01846	1.7
117.07027	4.8
119.08551	1.5
123.08025	2.7
127.03911	22.0
128.06192	2.0
129.01840	2.0
129.06998	4.2
131.08574	13.1
133.06468	1.9
139.07507	1.1
141.06982	17.3
143.08566	7.3
145.04971	7.6
155.08542	27.2
157.10153	1.5
159.02873	5.1
165.09073	1.3
167.08565	2.7
168.09340	1.6
169.10187	4.8
171.06705	1.2
171.07974	5.6
181.10068	5.1
182.10933	4.0
183.08051	3.3
183.11676	7.6
192.09384	5.6
197.13255	65.9
198.13583	1.6
199.11235	2.7
201.12769	4.3
207.11674	8.8
210.10486	1.2
215.14290	3.9
225.12746	53.1
226.13110	1.9
231.04970	3.5
243.13800	100.0
244.14183	2.7
261.14896	4.5
326.43851	1.3
509.30252	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01871	4.7
55.05501	2.1
57.03419	3.3
60.23248	0.8
61.02919	2.9
63.08926	0.6
65.03943	1.3
68.99780	2.3
69.03070	1.0
69.03429	18.6
69.07059	2.7
70.06601	6.0
71.04994	2.7
73.02897	2.7
79.05495	1.9
81.03416	13.3
83.01331	1.0
85.02905	47.2
87.00828	16.5
88.94193	0.8
90.15617	0.8
91.05480	68.0
93.07033	1.6
95.04971	1.1
97.02334	1.2
97.02897	13.3
97.06535	1.7
99.04451	14.7
100.11259	1.5
105.01865	13.3
105.07030	29.5
109.02185	1.1
109.02884	14.8
109.06558	1.3
111.08071	4.9
115.05441	1.3
117.01846	1.2
117.07008	3.3
121.06514	0.9
123.08087	1.1
124.77830	0.8
127.03912	29.2
129.01823	1.5
129.06981	2.5
131.08571	7.5
133.06471	1.5
141.06990	11.4
143.08559	6.1
145.04956	9.1
145.10124	3.9
147.02950	0.8
151.07524	1.0
155.08545	15.7
157.10089	1.4
159.02907	4.9
165.09094	1.1
169.10133	2.9
171.08028	6.1
171.11678	1.7
181.10121	2.8
182.10873	2.0
182.15457	1.7
183.08099	3.7
183.11687	7.9
189.04005	1.6
192.09343	2.3
195.07942	0.9
197.13254	44.3
198.13521	1.1
199.11133	2.3
201.12711	8.4
207.11702	4.6
210.10336	1.1
213.03967	1.0
215.14291	2.7
217.12263	2.1
225.12732	32.1
226.12903	0.8
231.04929	5.0
238.09975	0.9
243.13803	100.0
244.14091	2.2
261.14844	6.8
406.22607	1.0
509.29938	1.5
509.40521	1.8
534.78516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56961	0.4
55.05516	0.7
57.07069	0.4
59.04992	0.4
67.05495	0.9
68.05038	0.6
69.03439	2.3
69.07064	0.9
70.06553	0.7
70.06870	0.7
79.05486	1.0
80.05027	0.9
81.03449	0.4
81.07053	1.1
82.06579	1.0
83.04969	0.7
83.07356	3.8
83.57071	0.3
85.02901	1.1
86.06057	0.8
91.05476	1.1
93.07049	0.6
94.06567	1.8
95.04968	1.3
96.08131	1.8
98.06065	0.7
98.09697	1.2
98.22757	0.6
99.04449	1.4
105.07017	0.7
106.06576	1.3
107.08574	0.9
108.08144	0.6
109.02878	0.5
109.06534	0.7
110.09682	1.1
111.02681	5.0
115.03931	0.7
118.06597	0.6
119.08587	1.2
120.08104	3.0
121.08936	0.6
121.10129	0.6
122.09678	0.8
123.08061	0.7
124.11271	1.9
125.04214	0.5
126.09157	1.8
126.12811	1.0
127.03912	4.1
127.06236	0.5
131.04863	0.5
131.08617	0.6
132.08063	0.6
133.10098	0.6
134.09677	0.9
136.11240	1.6
137.09616	0.5
138.09155	1.2
138.12790	0.9
146.09660	0.4
147.08083	0.6
148.07607	1.6
149.05966	0.5
150.12761	0.4
152.05316	0.7
152.10724	2.6
152.14374	0.7
154.12292	1.7
155.05344	0.9
155.11868	0.5
160.11209	0.6
162.09163	1.0
162.12802	6.1
163.05833	0.7
164.14374	1.8
167.05397	0.5
167.07010	0.9
170.11786	3.0
176.14392	1.6
178.08630	0.5
178.15921	0.5
181.06749	0.7
182.11853	0.9
186.12831	0.6
190.12276	1.1
194.11618	0.4
194.15410	0.5
198.05865	1.2
199.04285	0.4
200.14713	0.4
204.13846	14.2
204.17490	0.8
205.14430	1.2
208.13440	1.3
209.15393	2.4
218.11699	0.5
218.15349	0.5
220.13368	0.9
222.14857	0.8
230.11073	0.4
232.16922	2.9
242.15372	0.6
250.18105	1.2
260.16467	6.7
277.19220	0.6
278.17664	0.5
284.02609	0.5
294.15216	15.2
295.15543	0.4
330.20508	0.6
341.17975	0.5
370.20248	1.1
379.49216	0.5
388.21182	18.4
417.77997	0.4
422.19962	23.9
423.20029	1.1
448.21530	1.2
464.20926	2.9
509.23181	100.0
510.23459	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	509.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.4
69.03426	3.0
69.07069	0.8
69.32363	2.3
70.06593	1.0
79.05512	0.7
80.05022	0.6
81.03415	0.7
81.07066	0.9
82.06600	0.8
83.04987	0.6
83.07368	4.7
83.08638	0.9
85.02900	1.3
86.06068	1.3
91.05518	1.0
93.05808	0.6
93.07052	1.5
94.06583	1.7
95.04963	0.8
95.08611	0.4
96.08148	2.0
97.02908	0.8
97.35761	0.4
98.06059	0.8
98.09699	1.4
98.22743	0.6
99.04462	1.2
105.07059	1.0
106.06549	0.9
107.08579	0.7
108.08091	0.6
109.06517	0.7
109.10126	0.5
110.09682	1.0
111.02678	3.9
111.08129	0.6
115.03902	0.4
118.06586	0.4
119.07295	0.5
119.08610	0.6
120.08113	2.6
121.06538	0.6
122.09673	0.6
123.08031	0.4
124.11253	2.0
125.04279	0.5
126.09175	1.1
126.12811	1.0
127.03922	4.6
127.06313	0.5
129.05484	0.5
131.08635	0.5
133.08875	0.5
133.10178	0.5
134.09692	1.3
136.07530	0.5
136.11243	1.9
137.09656	0.5
138.09178	1.1
138.12813	0.9
145.05008	0.8
146.09692	0.5
147.08080	0.5
148.07582	1.3
149.09686	0.5
151.07542	0.5
152.05296	0.9
152.10722	2.4
152.14407	0.5
154.12210	2.0
155.05270	0.4
155.11893	0.6
158.09718	0.4
159.08058	0.4
160.11198	0.5
162.09236	0.8
162.12788	6.9
163.05840	0.7
164.14410	1.7
165.05441	0.5
167.07109	0.5
170.11769	3.6
171.01169	0.4
174.12672	0.5
176.14386	1.9
178.15936	0.7
181.06834	0.5
186.12773	0.5
188.14406	0.6
190.12210	0.9
194.11893	0.5
198.05923	0.7
204.10448	0.5
204.13853	14.4
204.17395	1.0
206.15416	0.7
207.04776	0.8
208.13376	1.4
209.15350	2.0
220.13306	1.0
222.14951	0.6
232.16933	3.0
242.15492	0.6
250.18144	0.9
260.16498	6.1
277.30600	0.4
278.17490	0.5
294.15231	14.7
300.08041	0.5
330.20825	0.5
332.14731	0.6
370.20007	0.7
388.21216	14.5
389.21866	0.5
391.44247	0.5
404.18921	0.6
422.19958	25.8
423.20520	0.9
464.20999	2.7
509.23178	100.0
510.23166	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	509.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
61.48943	0.5
62.34652	0.4
67.05499	1.2
68.05009	0.6
69.03423	3.5
69.07063	0.7
69.26111	1.1
69.26525	2.0
71.04990	0.7
72.89002	0.5
79.05495	0.8
80.05032	0.6
81.07060	1.0
83.07346	3.2
85.02896	0.7
86.06087	1.3
91.05469	1.0
93.05772	0.7
93.07040	1.4
94.06577	1.9
94.41023	0.5
95.04973	1.2
95.08596	0.6
96.08140	1.7
98.06051	0.9
98.09709	1.1
99.02685	0.6
99.04466	1.8
105.08253	0.5
106.06567	1.6
108.08152	1.0
109.06544	0.7
110.09694	1.2
110.18673	0.5
111.02668	4.0
111.08087	0.8
113.14858	0.4
115.03967	0.7
117.07019	0.6
119.08553	0.7
120.08140	3.9
121.06534	0.7
122.09672	0.6
123.08076	0.6
124.11237	1.9
126.09153	1.8
126.12785	0.7
127.03902	4.2
131.08566	0.9
131.55681	0.5
134.09639	0.8
135.08157	0.8
135.20308	0.6
136.07579	0.6
136.11247	1.8
138.09163	1.0
138.12836	1.0
140.07103	1.0
144.08110	0.7
144.72263	0.5
148.07570	2.7
148.11131	0.7
152.10733	2.1
154.12283	1.7
160.11244	0.8
161.08243	0.6
162.09193	1.7
162.12766	9.6
163.09731	0.5
164.14371	1.5
165.05475	1.1
166.08630	0.6
167.07094	1.7
170.11818	2.2
171.04851	0.8
174.09346	0.6
174.12767	1.1
176.10765	0.6
176.14293	2.9
178.15913	0.7
186.09215	1.3
187.07593	0.6
187.13597	0.8
188.14320	0.8
190.12303	1.4
192.14034	0.6
194.15480	0.7
198.05870	0.8
200.10707	1.8
202.08511	0.6
204.13834	24.8
205.14546	2.3
206.15495	0.9
208.13339	1.2
214.15996	1.4
218.11772	1.0
218.15306	0.8
219.10176	0.6
220.13184	0.8
232.16879	3.9
242.15434	2.2
243.16331	1.3
244.49001	0.6
250.18124	1.6
260.16452	7.9
261.16568	0.7
278.17642	0.9
286.07666	0.9
290.53571	0.6
294.15210	11.4
323.16418	0.6
326.21204	0.6
370.20117	3.8
388.21152	27.6
389.21628	0.7
404.19315	0.5
422.19949	21.1
423.20288	0.8
464.20999	4.0
491.21884	1.3
509.23151	100.0
510.23337	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	509.2361
Annotation	Difluprednate
Peak:m/z	Relative Intensity
53.90816	0.4
55.05502	0.7
56.03570	0.4
58.20938	0.6
67.05495	0.9
69.07043	0.7
69.34718	1.7
77.94917	0.4
79.05507	1.1
81.07053	1.1
85.06500	0.5
91.05465	0.6
93.07032	1.3
95.08602	1.0
97.06536	0.9
105.07029	1.4
107.08582	1.4
109.10143	1.2
113.69518	0.4
119.08552	1.1
121.10117	0.9
123.11758	0.5
127.03842	0.5
137.05971	0.7
143.01895	0.7
176.11525	0.5
185.04259	1.1
201.03610	0.6
203.05255	2.2
213.25569	0.6
227.05318	1.2
233.11728	0.9
243.04750	5.0
245.06326	5.2
261.18173	3.6
271.04279	1.3
287.03723	46.8
288.04483	0.8
289.05283	55.7
290.05563	0.6
317.08435	2.7
330.10678	0.5
442.75034	0.5
447.23499	4.1
465.24582	3.1
491.22495	100.0
492.23141	3.0
509.23550	44.1
510.24011	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2362
Annotation	Difluprednate
Peak:m/z	Relative Intensity
53.03930	0.6
53.64018	0.4
55.01880	0.7
55.05512	4.9
57.03435	0.8
57.07074	2.8
61.02929	0.6
67.05505	2.8
69.03429	3.1
69.07059	2.3
71.01375	0.4
71.04975	2.0
71.08611	0.4
71.24772	0.4
73.02906	0.4
78.32111	0.4
79.05489	2.9
81.03419	2.3
81.07049	5.1
83.04987	1.2
83.08617	1.9
85.02908	5.6
85.06534	1.3
86.03235	0.6
87.00863	0.6
87.04475	1.1
91.05446	2.7
93.07041	2.6
95.04962	1.7
95.08607	3.2
97.02889	2.3
97.06519	1.4
97.10164	1.2
98.22670	0.7
99.00816	12.4
99.04449	0.8
99.08073	0.4
105.01881	0.8
105.03382	1.0
105.07024	2.7
107.04948	1.6
107.08620	1.4
109.02874	1.1
109.06534	1.7
109.10168	2.0
111.08073	2.9
111.92480	0.4
115.03944	2.8
116.04228	0.5
117.01848	2.5
117.07030	0.7
119.08584	4.3
121.06496	2.8
121.10163	2.3
121.39591	0.4
123.08031	0.4
123.11704	3.1
125.05969	0.9
125.09642	1.4
127.03899	3.4
127.11167	0.4
128.04210	0.5
129.07008	0.8
131.08572	1.4
133.04971	1.1
133.10103	2.9
135.08060	1.2
135.11658	0.6
137.05980	1.9
145.04947	2.1
145.10071	0.6
147.11700	0.5
149.09641	0.7
151.11259	0.5
155.14302	2.0
159.02876	0.4
160.65182	0.4
161.02959	0.5
163.11177	0.7
165.09103	0.6
171.06577	0.5
173.08180	1.0
175.14824	1.5
177.09174	1.1
179.10490	0.4
180.11037	0.6
183.13773	2.6
185.09608	0.6
187.07610	0.7
191.14232	0.4
197.11755	2.6
198.12144	2.6
201.14931	1.4
203.05295	1.8
203.06989	0.8
205.08669	0.9
219.13855	1.0
227.12753	11.2
231.05086	0.7
233.11725	1.0
233.15265	0.4
243.10179	0.8
243.13838	1.8
244.10498	0.6
245.11623	0.7
257.06311	2.3
259.08115	0.5
269.11792	0.7
273.17148	0.5
278.09448	0.6
279.34412	0.5
289.05280	1.3
293.17505	0.6
299.07480	1.0
315.06827	2.1
317.08420	33.0
341.52557	0.4
367.22632	0.9
377.19513	0.6
385.23914	0.9
395.20401	0.9
459.27576	1.1
465.16769	0.8
491.22516	30.5
492.22916	1.8
509.23566	100.0
510.23859	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	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67715	1.2
55.05296	1.5
55.05513	15.5
57.03432	7.0
57.03677	1.2
57.07079	2.3
65.38936	1.3
67.05502	29.4
69.07068	16.6
70.65536	1.2
71.08614	1.6
71.46049	1.3
79.05491	8.6
81.07055	30.4
83.04987	1.8
83.08608	7.5
91.05460	6.0
93.07053	8.2
95.04983	1.5
95.08598	21.8
97.10170	3.6
98.98460	17.7
105.07021	3.5
107.08598	4.7
109.10166	8.8
119.08582	3.2
121.10122	3.1
123.11671	4.0
133.10129	3.3
147.11671	1.9
155.01038	4.4
161.13162	1.9
173.02124	4.8
263.23621	1.6
337.27359	100.0
338.27725	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	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05515	11.6
57.03439	6.1
57.07070	1.5
61.60710	0.6
65.03959	1.1
67.05505	27.6
69.07069	15.5
69.92574	0.7
69.92879	1.2
70.10285	0.6
71.04953	1.0
71.08611	1.1
79.05499	5.6
81.07059	27.3
83.08621	6.3
85.06529	1.3
91.05471	4.5
93.07046	7.2
95.08602	20.4
97.06522	1.0
97.10164	3.2
98.98470	16.0
105.07036	3.6
107.08586	3.3
109.10144	8.6
119.08633	2.9
121.10163	3.1
123.11705	3.0
133.10104	2.1
135.11681	1.9
137.13278	0.8
147.11688	2.8
149.13298	1.4
155.01056	2.9
161.13321	0.8
163.14841	0.6
173.02132	3.9
175.14764	0.8
212.48846	0.7
247.05779	1.0
263.23727	2.3
289.67191	0.7
337.27362	100.0
338.27805	2.8
393.67557	0.7
535.98639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53715	2.8
53.03936	8.2
55.01887	16.4
55.05512	61.7
57.03435	19.5
57.07071	3.8
65.03938	3.5
67.05161	4.9
67.05505	87.0
69.03424	9.0
69.07069	30.9
69.94505	2.6
71.05008	26.5
71.20615	3.6
74.42664	3.4
79.05496	90.7
81.01726	3.3
81.03419	23.0
81.07058	100.0
83.04987	23.7
83.08626	29.6
85.02901	5.9
85.06544	10.6
91.05482	53.9
93.06448	4.5
93.07052	93.8
94.07375	3.1
95.04972	91.6
95.08597	42.8
97.02900	4.5
97.06571	15.3
97.10181	50.1
103.05476	3.5
105.04521	4.3
105.07038	35.8
107.04958	68.6
107.08595	48.4
109.05760	3.8
109.06513	73.3
109.10145	27.9
111.04436	7.8
111.08066	9.4
111.11778	3.5
115.05449	4.0
117.07014	25.5
119.04957	3.2
119.06045	3.2
119.08582	23.7
121.06514	43.9
121.10139	48.6
123.08082	15.2
123.11681	9.1
125.09643	31.3
128.06200	4.0
129.07005	16.8
131.04915	4.3
131.08577	34.2
133.06474	11.2
133.10112	16.9
135.08066	32.0
135.11670	10.3
137.05939	5.6
137.09630	11.7
139.11182	8.5
141.06989	6.7
143.08559	9.3
145.06493	24.5
145.10124	19.4
147.08025	15.1
147.11682	9.7
149.02373	3.9
149.09633	14.2
153.09149	5.3
153.12672	3.2
155.08525	7.6
157.06482	5.7
157.10132	8.1
159.04390	3.1
159.08011	8.8
159.11679	11.1
161.05957	5.1
161.09598	8.9
163.11176	29.8
165.09120	30.0
166.09433	12.8
167.10672	23.3
169.10132	8.1
171.08075	5.8
171.11566	4.2
173.09616	4.5
173.13248	10.9
175.11119	7.4
177.12691	5.8
181.10062	4.3
181.12215	3.7
183.08009	4.0
185.09586	5.6
187.11189	8.0
187.14845	6.3
189.11195	21.4
191.10764	4.1
191.14323	16.8
193.12231	7.1
195.11787	3.1
197.13321	2.8
199.11363	6.1
199.13298	26.1
201.12813	6.9
203.14343	3.6
205.08580	3.5
205.12225	11.0
211.13327	5.5
213.12715	5.5
215.14339	7.6
217.12247	3.5
219.11761	2.6
219.13785	48.9
223.13213	19.1
227.12654	16.7
233.11743	4.8
233.15381	13.6
237.12796	4.6
237.14943	8.4
249.14952	4.3
255.13797	3.6
257.15536	3.2
258.23370	3.0
261.14896	5.0
267.15894	8.5
271.16980	4.4
273.14719	13.2
273.17242	26.3
275.16406	8.5
278.17209	3.5
279.15857	3.4
283.15240	5.4
289.05206	5.0
293.17453	52.6
339.23215	9.3
349.21609	25.0
357.24039	7.3
367.22675	65.3
368.22852	7.1
385.23755	62.5
397.21820	3.0
399.25055	4.0
403.24673	22.3
405.24005	4.3
417.26248	10.2
423.24783	3.5
435.27280	4.0
441.26505	18.2
459.27399	86.1
477.28537	43.9
491.30252	42.3
509.23181	26.5
509.31735	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	510.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
53.79847	0.3
55.01869	1.2
55.05505	0.8
55.96827	0.3
57.03438	0.4
62.90061	0.3
63.53892	0.3
65.03925	0.5
65.07577	0.3
67.05507	0.5
68.99783	1.0
69.03426	1.9
69.07064	0.5
71.01335	0.3
71.04980	0.5
73.02921	0.6
79.05487	0.8
81.03404	1.6
81.07049	1.3
83.04978	0.8
85.02908	4.6
85.06539	0.6
87.00825	1.2
87.75390	0.3
91.05479	12.9
93.07042	1.0
95.04959	1.6
97.02905	3.8
97.06522	0.4
99.04438	1.2
103.05462	3.3
105.01854	1.2
105.03374	1.0
105.07037	2.9
107.04935	1.3
107.08585	0.5
109.02866	2.7
109.10160	0.7
111.04432	1.1
111.08105	1.9
115.03915	0.8
115.05441	3.6
117.07017	14.3
120.78375	0.4
121.02879	0.5
121.06504	10.4
121.10076	0.5
123.04435	3.2
127.03918	3.0
128.06177	0.4
129.07004	2.9
131.08546	1.6
134.03595	0.4
135.04442	2.6
139.03899	2.6
141.06985	1.5
143.08554	3.2
145.04968	1.1
149.05975	10.9
152.06136	1.6
155.14290	1.3
157.05034	0.4
157.06548	0.4
159.02966	0.4
165.07005	2.4
166.07805	2.4
167.08554	5.5
169.06462	0.4
173.06010	0.4
177.06972	2.5
178.07771	1.1
181.06480	0.5
181.10109	1.0
181.15897	0.6
183.08089	0.5
183.13812	1.3
191.08504	0.5
194.07321	3.6
195.08015	2.0
196.08820	1.0
199.11215	0.8
201.91052	0.4
209.09654	1.8
209.18802	0.5
211.07492	1.2
212.08313	4.1
219.96098	0.4
223.11278	0.5
227.10661	100.0
228.11014	1.9
229.03346	0.4
236.08357	0.4
237.09085	1.2
239.10692	2.3
247.04373	0.6
251.10666	3.8
260.59091	0.3
261.11191	0.4
262.11536	0.4
263.10715	1.1
269.11710	1.3
281.11722	0.5
293.11682	2.1
295.22614	0.7
317.11710	1.3
335.12582	1.7
373.07654	0.7
377.89337	0.3
421.13034	0.4
439.13730	0.8
480.74683	0.4
510.23282	0.6
511.25015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
53.19260	1.1
55.01880	2.2
57.03435	2.0
61.02921	1.3
69.03427	10.8
69.43909	4.7
70.06592	3.3
71.04996	1.8
73.02918	2.4
79.05486	4.1
81.03417	10.0
83.04965	1.1
84.08164	1.1
85.02901	30.7
87.00830	10.2
91.05479	8.2
95.04932	1.3
97.02891	8.7
99.04431	5.0
100.25176	1.0
103.05477	5.0
105.01861	8.0
105.07030	100.0
106.07399	1.3
109.02876	13.5
111.50067	1.1
114.33555	1.0
121.06508	6.3
127.03915	22.5
129.01807	1.5
145.04951	11.9
147.02910	1.5
149.05994	1.8
151.07582	1.8
153.05496	1.7
159.02861	6.8
167.07037	17.3
189.03947	1.3
199.11151	2.2
224.45081	1.2
227.10719	3.6
231.05011	7.6
245.11732	92.2
245.46988	1.1
254.69415	1.0
264.79260	1.2
269.11734	4.6
287.12750	1.5
311.12775	3.8
335.12686	3.5
353.13855	2.0
356.51535	1.0
509.29544	1.7
510.23907	4.2
510.31113	5.0
511.31793	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	510.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86542	1.3
67.05495	1.9
69.03450	3.4
69.53557	3.5
69.53948	2.7
70.06588	8.4
71.05003	1.5
73.02890	1.8
79.05479	1.5
81.03427	3.6
85.02893	8.9
87.00837	2.5
91.05479	10.7
93.07050	13.5
95.04997	4.1
95.08640	1.7
97.02895	1.9
98.22708	2.6
99.04466	2.4
103.05475	8.7
105.01864	2.7
105.04526	1.6
106.45168	1.4
107.04938	12.2
111.08091	1.7
121.06507	86.8
123.08120	5.4
127.03944	4.9
133.06541	2.3
136.05267	2.0
136.11292	2.4
137.06004	5.2
139.07550	1.6
145.04994	3.2
151.07541	82.1
164.14268	1.3
175.07603	7.6
227.10736	2.2
245.11722	100.0
246.12054	2.4
269.11749	30.3
287.12866	6.0
307.13782	1.6
311.12762	15.6
335.09305	1.4
335.12714	6.7
353.13754	10.5
439.13782	2.1
457.15280	2.2
510.23166	7.6
510.29919	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	510.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03944	1.8
55.01866	1.7
55.05519	1.3
55.18461	0.5
57.03426	1.0
60.04517	0.5
61.02919	1.0
61.77403	0.5
65.03925	0.8
67.05497	2.6
68.99784	1.0
69.03430	3.5
69.07062	0.9
69.18634	0.5
71.04983	0.6
73.02917	0.7
74.02431	0.8
77.03931	0.8
79.05474	3.5
80.05894	0.5
81.03425	4.4
81.07058	2.9
82.07393	0.7
83.04976	0.8
83.08620	1.0
85.02903	9.8
87.00837	3.9
91.05481	11.2
93.07043	13.2
95.04987	4.5
95.08607	1.6
96.05291	0.6
97.02888	3.8
98.22520	0.8
99.04440	1.6
103.03966	0.7
103.05470	8.1
105.01871	2.2
105.04518	0.8
105.07038	1.6
107.04954	11.9
107.08599	1.4
108.05745	1.3
109.02893	3.5
109.06525	1.1
109.10163	1.1
111.08074	0.9
114.73874	0.6
117.06956	0.7
119.04942	2.3
119.08587	0.9
121.06508	83.4
121.10152	1.2
122.06850	1.6
123.08067	5.3
125.06006	1.5
127.03914	5.4
129.01842	1.1
131.08545	0.8
133.06491	2.4
133.10118	1.4
133.52808	0.5
135.08061	0.8
136.05200	3.5
137.05939	2.8
139.07536	2.2
145.04950	4.2
145.06032	0.8
147.02916	0.5
147.08087	1.0
147.11600	0.6
151.07544	79.0
152.07901	0.6
159.02899	2.2
160.05247	0.7
161.06041	0.7
165.09113	1.0
175.07550	6.0
175.13274	0.6
189.03923	1.0
189.09207	0.7
193.12274	0.7
211.13353	0.8
217.08632	0.6
227.10783	1.6
227.20016	0.5
231.04996	1.2
239.10585	0.6
241.08643	0.8
245.11734	100.0
246.12102	2.1
251.10535	0.6
255.10223	0.6
257.11725	1.5
259.09930	0.6
265.12015	0.6
269.08789	1.1
269.11725	22.9
270.12021	0.8
281.11646	1.1
287.12808	5.9
293.11597	0.6
307.13254	0.9
311.12756	13.7
322.50586	0.5
330.26321	0.6
335.12747	9.1
344.65866	0.5
348.27100	0.6
353.13849	8.9
431.71353	0.5
439.13974	0.7
457.14905	1.3
478.28177	0.8
510.25342	1.1
536.16241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83587	0.1
57.03434	0.2
61.02940	0.2
64.91449	0.1
65.03938	0.2
69.03421	0.5
70.06596	1.0
70.53564	0.3
78.04721	0.2
79.05487	0.4
80.06248	0.4
81.03399	0.2
85.02907	1.5
90.04705	0.6
91.05482	1.5
95.04980	0.2
97.02896	0.5
105.03379	0.3
106.04155	0.3
107.04951	3.7
108.05151	0.2
108.05766	2.0
109.06614	0.1
118.04172	0.3
118.85200	0.1
119.04970	0.2
127.03934	0.3
135.04431	1.2
136.05220	0.9
136.11226	0.2
145.04930	0.2
151.07542	100.0
152.07898	1.5
285.35651	0.2
292.16507	0.5
293.72397	0.2
309.07687	0.2
337.07056	0.2
424.21350	0.2
510.22528	0.2
511.24585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01858	4.1
55.05257	1.4
55.05511	18.7
57.03436	1.0
57.07076	28.3
59.04972	0.9
61.02914	1.6
67.05506	0.8
68.99777	1.1
69.03430	7.4
69.07023	0.8
70.59702	0.9
71.01357	1.9
71.04994	1.7
73.02907	2.6
73.06565	1.2
79.05504	1.4
80.04948	0.8
81.03416	10.3
81.07037	2.1
85.02901	21.1
87.00826	10.2
91.05466	2.5
91.20280	0.8
93.07027	2.5
95.04997	1.4
95.08629	1.5
97.02885	9.1
99.00820	96.7
99.04454	3.7
103.05477	2.0
105.01864	6.8
107.04956	3.6
109.02878	9.1
111.08092	2.6
115.03941	0.9
117.01865	20.4
121.06508	21.3
121.10139	0.7
127.03907	13.4
129.01820	1.9
135.08031	2.3
137.05969	3.5
139.84303	0.8
145.04929	5.7
145.06558	0.9
147.02933	1.2
151.07558	4.9
155.07039	3.5
155.14297	3.2
159.02893	5.7
161.06009	0.9
165.09096	1.0
171.06519	2.9
173.08096	9.6
175.07576	4.8
183.13841	2.0
184.34271	0.8
201.83865	0.8
227.12776	100.0
228.13086	2.6
231.04997	2.0
245.11726	7.6
245.13889	1.7
257.06418	1.0
257.11545	1.0
269.11737	15.2
271.51007	0.9
287.12769	3.2
311.12762	8.1
317.08435	1.8
318.08630	1.1
335.12808	4.8
353.13818	5.5
371.97522	0.9
403.31015	0.8
407.74564	0.8
460.64511	0.8
492.22723	3.2
510.24136	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	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68871	0.6
54.45705	0.6
54.73308	0.7
67.05510	1.0
71.04995	0.8
75.11909	0.6
79.05502	2.0
81.07058	3.8
85.02900	0.9
91.05495	1.1
93.07037	3.2
95.08647	1.0
98.23449	1.7
105.07021	2.7
107.08590	0.7
108.61578	0.7
109.34284	0.7
110.07154	0.8
129.07007	2.7
131.08556	3.2
134.74043	0.6
137.13258	0.9
141.06981	1.7
143.08553	3.7
145.04955	0.8
147.08035	0.9
155.08546	4.0
159.08061	4.0
164.38676	0.8
165.06960	1.3
166.07803	1.7
167.08549	1.9
169.06462	0.8
169.10161	1.5
178.07849	2.1
179.08559	24.8
180.09160	1.5
181.10124	11.2
181.12294	1.5
187.07536	14.3
192.09399	1.0
193.10126	86.8
194.10689	2.1
195.11696	5.4
199.07516	3.1
204.10211	1.1
206.10902	4.0
207.08076	2.2
208.12486	1.0
211.07584	0.9
221.09723	4.1
221.13205	13.5
223.14807	6.0
225.09096	1.8
239.10709	7.6
239.14290	4.9
249.12744	15.3
251.14288	2.0
266.06174	0.7
267.13788	100.0
268.14133	2.6
269.15466	3.9
282.61124	0.8
295.13297	29.4
313.14297	13.6
344.86984	0.8
354.98618	0.7
398.15994	1.7
428.16748	1.4
510.19940	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01876	1.2
55.05257	1.2
55.05511	13.4
57.03441	1.1
57.07080	1.1
60.04518	1.0
67.05498	2.4
69.03439	5.7
69.07066	2.8
69.54445	3.1
71.05016	1.4
79.05498	2.4
81.03416	3.6
81.07068	6.4
83.04978	8.7
83.08622	11.3
85.02900	9.4
85.06561	2.1
87.00848	4.6
91.05488	3.4
93.07056	6.2
95.04403	1.4
95.04962	11.7
95.08602	4.4
97.02901	5.1
97.06534	3.7
97.10159	1.4
99.04460	3.9
105.01860	6.8
105.07059	4.5
107.08603	9.9
109.02879	2.8
109.06512	8.8
109.10162	8.5
111.08091	3.4
113.09634	1.0
115.03921	1.2
115.07550	1.1
117.56018	0.8
119.08579	3.3
121.10149	14.8
121.10980	1.2
123.08055	1.7
123.11717	2.9
125.09636	3.5
127.03922	7.7
131.08562	2.8
133.10112	10.9
135.08089	1.7
135.11693	2.3
139.11206	1.5
145.04970	3.0
145.10126	2.4
147.11691	3.5
149.13216	5.0
151.11179	13.9
153.09103	5.8
158.10927	1.2
159.02873	1.4
163.14870	4.4
165.12675	0.9
167.07062	0.9
167.14314	17.8
169.74850	0.8
173.13260	7.3
175.14839	3.5
191.14278	9.9
209.15366	100.0
210.15552	1.3
227.16425	9.7
231.04982	1.2
245.46602	0.8
249.06030	1.5
317.17453	1.4
348.27542	1.0
403.17786	1.2
421.18518	1.6
439.19504	2.0
465.76001	0.9
510.22665	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62040	0.7
53.03934	1.3
55.05514	14.0
57.03423	1.2
57.07065	1.2
59.04988	1.2
61.02923	0.9
63.73170	0.7
67.05511	3.3
69.03439	5.3
69.07061	3.1
69.58248	1.2
69.58632	1.5
71.04990	1.9
73.60175	0.7
76.71671	0.7
79.05486	3.1
81.03412	2.8
81.07054	5.1
81.67120	0.7
82.55449	0.6
83.04984	9.6
83.08618	11.4
85.02906	8.6
85.06551	1.5
87.00845	4.7
87.04440	0.7
91.05469	2.8
93.07036	7.2
95.04967	9.4
95.08620	4.5
97.02891	4.6
97.06562	4.7
97.10170	1.7
99.04469	4.0
105.01866	5.3
105.06998	4.2
107.08601	12.3
109.02886	3.4
109.06538	7.4
109.10161	10.5
111.08072	4.0
113.06021	1.0
113.09620	0.9
115.07510	1.4
119.08576	3.0
121.10150	18.8
123.08057	2.4
123.11677	4.2
125.09605	3.4
126.86855	0.7
127.03923	6.4
131.08537	2.9
133.10124	11.5
135.08087	1.8
135.11685	1.6
137.13252	0.7
139.11165	0.9
140.62408	0.7
145.04988	1.6
145.10150	1.5
147.11707	3.0
149.09583	0.9
149.13249	3.0
151.11176	16.4
153.09094	5.5
158.10963	0.8
163.14859	3.9
167.14308	16.7
168.10069	0.8
171.10307	0.6
173.13257	7.0
175.14812	2.3
179.55330	0.7
191.14287	11.5
209.15369	100.0
210.15764	1.3
227.16420	10.2
231.05006	1.9
237.87314	0.8
249.06003	1.1
270.54233	0.7
299.16397	1.4
319.31732	0.8
329.91144	0.7
378.28604	0.7
379.27176	0.6
403.17767	1.1
423.20123	0.9
439.19656	1.0
510.22620	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	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01875	2.8
55.05509	5.3
57.07074	2.0
62.08493	1.4
67.05505	2.2
69.03423	5.2
69.07066	6.4
69.30943	3.5
69.31345	4.7
71.04996	2.0
71.08635	10.9
79.05494	2.5
81.03424	5.9
81.07048	6.4
83.08627	5.7
85.02902	10.6
85.06542	6.9
85.46041	1.3
87.00829	5.2
93.07050	2.6
95.04993	1.7
95.08613	3.2
97.02897	5.8
98.23401	3.1
99.00824	6.3
99.04448	1.9
99.08101	10.7
99.33691	1.4
105.01877	2.9
105.03403	1.6
105.07005	2.3
109.02879	5.1
109.06544	2.2
111.08083	78.8
115.07655	1.3
117.01826	1.5
119.08549	1.5
121.06481	1.8
121.10174	1.5
123.08039	1.4
123.11729	2.7
127.03883	7.9
127.07504	1.7
129.09100	1.9
135.08043	1.8
137.06013	2.2
145.04994	3.0
147.11682	3.3
155.14299	74.5
156.14671	2.2
159.02943	1.6
160.81538	1.7
162.40031	1.5
165.12808	3.0
181.09969	2.0
183.13803	100.0
186.07320	1.3
201.14853	71.5
201.16748	3.4
203.00157	1.5
227.12752	6.6
227.16550	7.2
245.17464	11.6
317.08478	2.3
440.92120	1.6
510.24655	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	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01880	3.3
55.05506	4.3
57.03445	2.5
57.07074	3.5
59.05004	0.4
61.02931	1.2
67.05499	3.2
68.99809	0.6
69.03430	6.2
69.04028	0.3
69.07069	14.7
69.38322	1.6
71.04995	3.4
71.08633	5.0
73.02923	3.9
73.27039	0.3
78.67628	0.4
79.05490	1.5
79.35522	0.3
81.03419	6.1
81.06564	0.6
81.07056	17.4
83.04995	2.3
83.08616	4.0
85.02906	26.7
85.06541	4.8
85.10166	2.0
87.00829	5.8
87.65884	0.3
91.05470	1.9
93.07053	3.2
94.07439	0.4
95.04993	0.8
95.08601	6.2
97.02887	5.7
97.06520	1.6
97.10129	0.6
99.04463	7.4
99.08115	1.1
101.02380	7.8
105.01868	3.5
105.07037	6.8
107.08592	7.0
108.20807	0.4
108.21593	0.4
109.02865	4.8
109.06501	4.3
109.10155	0.5
111.08096	1.6
113.06017	2.3
115.07559	1.3
117.01850	0.8
119.08583	3.9
121.10146	9.7
121.10991	0.7
123.08076	3.9
123.11707	23.2
125.05965	0.4
127.03912	6.8
127.07561	7.0
127.14854	0.7
129.01888	0.6
135.08080	0.4
137.09628	0.5
137.13234	2.1
140.18748	0.3
141.09102	3.0
145.04948	2.6
147.11682	29.4
148.12013	0.5
149.13397	0.4
155.14310	5.8
159.02879	2.2
163.11307	0.4
165.12755	19.5
166.62544	0.4
181.95837	0.4
183.13805	76.5
184.14134	1.1
201.14851	100.0
202.15175	1.2
207.27489	0.4
209.15446	0.4
227.16414	1.3
231.05017	1.5
245.17332	0.6
249.06184	0.4
289.05280	1.1
361.88803	0.4
432.51584	0.4
510.24225	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	510.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.05513	22.5
56.05863	3.4
57.03435	6.4
57.07074	8.1
58.14733	2.3
67.05159	4.5
67.05508	59.0
69.03427	8.1
69.07078	19.2
70.06599	3.5
70.67416	3.2
71.04996	11.2
71.08640	27.3
79.05512	27.4
81.03440	5.9
81.07058	68.4
81.07504	4.7
82.07390	3.2
83.04987	8.2
83.08630	14.1
84.08112	3.3
85.02911	15.4
85.06565	4.9
85.10193	18.1
87.04469	6.5
91.05468	16.1
93.07041	34.5
94.07386	2.9
95.04984	12.7
95.08608	59.2
95.79750	2.8
96.08913	2.7
97.02889	5.7
97.06528	17.3
97.10175	11.0
99.08101	25.0
101.05979	5.7
105.07034	12.2
107.04975	11.6
107.08597	17.4
108.08940	2.8
109.06537	11.4
109.10178	15.7
110.06876	4.1
111.08090	10.5
113.09654	26.0
117.07017	3.3
119.08591	7.3
121.06512	5.3
121.10146	25.1
121.72778	2.5
122.10547	3.0
123.11729	13.0
125.09627	7.9
126.48844	2.7
131.08539	5.0
131.10689	6.9
132.08890	3.5
133.10109	12.7
135.11668	13.1
136.11940	2.7
137.13272	7.9
139.11209	4.0
145.06480	3.9
147.11687	5.6
149.09692	3.5
149.13258	10.2
151.14825	8.0
157.12251	2.7
161.05704	2.8
161.13263	5.8
163.11230	4.5
167.14323	5.5
170.48351	2.8
171.11598	3.2
173.13260	3.8
175.14893	4.1
185.11858	3.1
189.11157	2.9
199.13356	4.3
205.12071	3.3
211.13300	3.2
211.74286	2.7
220.14134	4.2
231.21069	16.3
235.85106	2.5
249.22139	12.5
249.26598	2.4
259.13782	2.4
267.23212	58.6
289.05417	5.4
295.22696	42.6
313.23749	100.0
331.24728	6.2
351.25287	5.8
368.22958	10.1
386.24075	6.8
460.27942	14.9
475.26785	6.4
478.28870	5.4
492.30408	4.4
510.23975	23.3
510.31366	7.8
510.42599	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	510.355
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.64625	0.3
55.05502	0.7
56.05033	1.5
57.03443	0.5
57.07081	4.9
58.06576	1.7
60.08165	18.1
60.68217	0.3
67.05512	1.3
69.07066	0.7
71.07378	6.5
71.08633	2.9
71.45329	0.3
81.07052	1.8
83.08610	1.3
85.10172	1.6
86.09707	49.7
87.10008	0.4
95.08618	2.8
97.10181	1.0
98.98449	3.4
104.10743	100.0
105.11081	0.8
109.02872	0.4
109.10167	1.2
125.00002	29.0
163.01523	0.4
181.02641	0.4
184.07343	96.5
185.07690	0.6
239.23634	1.7
257.24957	0.3
258.11035	0.8
269.11276	0.3
297.27621	0.4
313.27444	5.5
327.28912	1.8
331.28445	0.7
359.42935	0.3
425.15887	0.3
492.34552	8.4
510.20486	2.7
510.35553	39.7
511.35489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.9
57.03444	4.7
57.07077	51.7
60.08172	6.1
61.02930	1.8
62.06105	6.9
67.05505	16.2
69.03444	3.4
69.07066	11.4
69.73929	4.1
71.08633	43.4
74.09624	1.3
75.04480	2.5
77.54540	1.3
81.03418	2.4
81.07055	24.8
83.08620	17.5
85.02901	8.1
85.10186	23.9
86.09702	18.2
87.04512	1.4
91.03958	1.6
91.05451	1.4
93.07015	1.9
95.08604	35.9
97.02899	4.6
97.10178	9.1
99.11743	1.5
104.10744	34.2
105.07018	3.0
107.08572	1.8
107.29072	1.2
109.02903	1.4
109.10149	14.1
111.11720	2.7
121.06535	2.2
123.11718	5.9
124.99996	11.0
125.13256	2.1
127.03933	3.1
135.08084	1.5
137.13255	2.5
139.52744	1.3
145.05000	3.6
156.15694	1.2
184.07347	34.6
221.22722	1.6
226.90227	1.3
239.23691	41.0
257.24774	5.1
270.49274	1.4
297.16406	1.6
313.27377	100.0
314.27768	2.5
331.28400	19.2
339.28726	1.6
383.28043	8.9
399.61777	1.4
401.28964	20.5
407.31375	3.7
423.30695	16.7
450.04916	1.2
461.18445	1.6
492.34158	3.1
510.20731	39.1
510.36951	27.3
511.20370	7.8
511.37048	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	510.3624
Annotation	Chrysosporide
Peak:m/z	Relative Intensity
55.05022	0.3
55.05504	1.1
55.43398	0.3
56.05033	1.1
57.03427	1.4
57.07075	13.7
58.06601	1.2
60.08163	18.6
61.02917	0.9
62.06091	1.7
67.05499	3.2
69.07066	2.5
69.25414	2.0
70.06584	0.5
71.07375	7.4
71.08627	9.4
75.04488	0.5
81.07056	5.0
83.08611	2.9
85.02911	0.4
85.10181	5.6
86.09703	53.3
87.10021	0.3
88.06084	0.3
89.06043	0.6
91.03962	0.4
95.08605	6.6
97.10165	1.7
98.23557	0.6
98.98476	3.5
103.07561	0.4
104.10740	100.0
105.07056	0.5
105.11068	0.7
109.10161	2.8
111.11749	0.4
123.11704	1.5
124.99998	30.0
133.67438	0.4
134.80820	0.4
137.13239	0.5
143.00977	0.4
163.01566	0.5
166.02875	0.4
169.45386	0.3
184.07336	95.4
185.07671	0.4
221.22734	0.3
239.23688	6.9
257.24756	1.1
258.11014	1.0
313.27350	22.6
314.28061	0.5
327.28864	1.2
331.28363	3.5
337.27332	0.5
342.23706	0.3
436.94189	0.4
472.63635	0.3
492.34528	9.0
510.20801	5.8
510.35510	36.5
511.20615	1.0
511.36017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.212
Annotation	7-Hydroxy-5-methoxyflavan-(4beta->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.14840	1.2
52.85036	1.1
55.01871	2.2
65.03949	1.5
68.99779	1.5
69.74226	4.4
70.06599	2.2
79.05490	9.5
85.02914	1.6
91.05481	22.9
93.07057	6.2
95.04974	5.0
96.12589	1.1
98.22743	2.0
103.05477	7.7
105.04481	1.5
105.07027	37.7
107.04974	5.7
109.06541	5.0
112.25361	1.1
115.05472	3.2
117.06995	2.9
119.04927	2.3
119.06074	1.8
120.05715	6.9
121.06511	43.1
123.04435	4.5
123.08097	1.4
131.04935	1.7
133.06497	4.7
135.08052	91.2
137.05966	1.8
145.06497	15.4
146.07219	1.4
147.04410	28.5
149.06015	2.2
155.08575	1.6
156.45174	1.1
159.08026	1.3
161.06018	2.7
163.07547	1.6
165.06932	2.3
167.08569	2.3
169.04637	1.0
171.08046	3.5
178.07745	1.2
179.08575	2.0
181.06429	1.9
183.08124	3.2
185.05879	2.2
185.09554	1.4
194.07277	2.1
195.08026	6.3
196.08849	2.9
197.09599	2.8
198.06723	1.5
209.09590	5.9
210.06860	2.0
211.07596	6.0
211.11093	1.6
212.08366	4.2
213.09090	2.0
222.06786	1.8
223.07507	4.0
224.08359	5.9
225.09181	3.2
226.06335	1.5
226.09787	1.7
227.10620	8.5
228.07869	2.1
237.09114	4.2
238.09944	2.9
239.07047	1.4
239.10699	2.3
240.07777	5.8
241.08600	13.6
241.12256	1.9
242.09334	2.0
243.10217	5.2
253.08649	5.3
254.09492	7.6
255.10164	79.7
256.10925	38.2
257.11667	2.1
267.10172	8.9
269.11716	17.7
271.09680	1.9
281.11798	3.3
286.10135	1.4
300.08002	1.4
313.12259	2.5
314.09329	1.8
315.10187	2.6
317.11758	2.5
327.10117	2.4
328.11209	1.5
329.08459	1.3
329.11606	6.1
330.09097	2.1
330.12616	7.2
331.13409	2.6
340.11090	2.1
341.11676	6.9
342.08899	1.8
342.12518	6.6
343.09668	5.3
343.13388	3.8
344.10403	2.9
345.11224	91.2
346.11685	4.1
355.13275	6.8
356.10480	3.6
357.11206	13.9
358.11975	62.3
359.12732	25.2
361.10754	6.9
371.12814	35.2
372.09238	1.8
372.13593	12.9
373.10507	2.2
374.11505	2.3
375.12250	3.8
387.12286	3.5
388.13098	6.5
389.13602	5.8
403.15378	24.6
447.15579	1.8
449.17697	2.9
451.19116	5.2
463.19400	2.8
479.18555	100.0
480.19254	24.6
493.19833	6.6
495.18536	1.5
496.18655	5.6
511.21191	84.1
511.33603	2.4
512.21423	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	511.2201
Annotation	GW 409544
Peak:m/z	Relative Intensity
52.92033	1.1
70.99892	1.2
78.60190	1.1
85.13403	1.1
112.29387	1.1
135.18604	1.2
150.41322	1.1
154.58461	1.1
172.93800	2.6
418.07111	1.1
511.22009	100.0
512.22400	3.5
535.42883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.05509	0.7
67.05514	0.8
68.05030	0.3
69.03432	4.2
70.06591	8.1
71.04994	2.6
79.05499	1.1
80.05013	1.7
81.07055	1.5
82.06592	0.6
83.04986	0.7
84.08134	2.6
85.02847	0.3
86.06078	0.3
86.09710	0.5
86.49588	0.3
91.05479	1.0
93.07045	1.1
94.06582	1.0
95.08617	1.6
96.08149	2.0
99.04459	0.9
100.07608	0.5
105.07042	1.0
107.08607	1.4
109.06534	0.5
110.07191	1.1
110.09699	1.5
110.10388	0.3
111.02678	0.6
111.08088	1.9
112.07670	0.4
115.02151	1.8
119.08595	1.1
120.01176	0.3
120.08087	0.6
121.06567	0.3
121.10137	0.5
122.09671	3.1
123.08097	0.5
124.11218	0.8
125.04204	0.9
125.06022	0.8
125.09644	0.7
126.09197	0.3
127.05764	0.3
128.07062	0.7
131.08612	0.4
132.01160	0.4
132.68629	0.3
133.10097	0.5
134.09621	0.7
136.07614	0.7
136.11214	1.4
137.06030	0.8
137.12077	0.3
143.05302	0.9
148.11270	0.5
150.09131	3.1
151.05807	0.3
152.10683	2.2
154.12315	0.9
162.12802	0.5
164.14371	1.9
166.15895	1.6
168.10153	2.9
169.13376	0.4
171.04765	0.7
177.12758	0.5
182.11772	9.6
184.13432	0.6
188.01656	0.4
190.15913	0.7
194.15410	0.5
216.01109	0.8
222.14873	0.3
234.14929	1.0
236.16435	2.5
248.20148	0.9
255.10484	0.5
262.18115	1.1
264.19666	1.6
292.19147	1.6
319.03934	1.3
324.16580	0.4
346.23776	2.4
347.24380	0.6
348.25177	0.7
348.99457	0.3
350.17856	1.7
362.23312	0.7
376.21109	1.5
380.22485	1.9
383.65967	0.4
384.35931	0.3
390.22806	2.3
392.24435	0.4
424.21515	26.1
425.21793	0.4
450.23080	4.0
466.22528	3.6
467.25781	1.6
511.24725	100.0
512.25195	3.5
537.51453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.05509	0.7
67.05514	0.8
68.05030	0.3
69.03432	4.2
70.06591	8.1
71.04994	2.6
79.05499	1.1
80.05013	1.7
81.07055	1.5
82.06592	0.6
83.04986	0.7
84.08134	2.6
85.02847	0.3
86.06078	0.3
86.09710	0.5
86.49588	0.3
91.05479	1.0
93.07045	1.1
94.06582	1.0
95.08617	1.6
96.08149	2.0
99.04459	0.9
100.07608	0.5
105.07042	1.0
107.08607	1.4
109.06534	0.5
110.07191	1.1
110.09699	1.5
110.10388	0.3
111.02678	0.6
111.08088	1.9
112.07670	0.4
115.02151	1.8
119.08595	1.1
120.01176	0.3
120.08087	0.6
121.06567	0.3
121.10137	0.5
122.09671	3.1
123.08097	0.5
124.11218	0.8
125.04204	0.9
125.06022	0.8
125.09644	0.7
126.09197	0.3
127.05764	0.3
128.07062	0.7
131.08612	0.4
132.01160	0.4
132.68629	0.3
133.10097	0.5
134.09621	0.7
136.07614	0.7
136.11214	1.4
137.06030	0.8
137.12077	0.3
143.05302	0.9
148.11270	0.5
150.09131	3.1
151.05807	0.3
152.10683	2.2
154.12315	0.9
162.12802	0.5
164.14371	1.9
166.15895	1.6
168.10153	2.9
169.13376	0.4
171.04765	0.7
177.12758	0.5
182.11772	9.6
184.13432	0.6
188.01656	0.4
190.15913	0.7
194.15410	0.5
216.01109	0.8
222.14873	0.3
234.14929	1.0
236.16435	2.5
248.20148	0.9
255.10484	0.5
262.18115	1.1
264.19666	1.6
292.19147	1.6
319.03934	1.3
324.16580	0.4
346.23776	2.4
347.24380	0.6
348.25177	0.7
348.99457	0.3
350.17856	1.7
362.23312	0.7
376.21109	1.5
380.22485	1.9
383.65967	0.4
384.35931	0.3
390.22806	2.3
392.24435	0.4
424.21515	26.1
425.21793	0.4
450.23080	4.0
466.22528	3.6
467.25781	1.6
511.24725	100.0
512.25195	3.5
537.51453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.05043	0.4
58.99606	0.6
62.78347	0.3
67.05495	0.9
68.05017	0.8
69.03425	4.7
70.06593	8.7
70.96583	0.7
71.05003	2.1
72.91826	0.4
75.63370	0.4
79.05508	1.0
80.05013	1.3
81.07043	1.8
82.06635	0.4
83.04999	0.6
84.08135	2.1
84.76691	0.4
86.06066	0.5
86.09702	0.6
91.05507	0.6
93.07047	1.4
94.06589	1.2
95.04916	0.5
95.08626	1.8
96.08147	1.1
97.02864	0.6
97.06593	0.4
97.08944	0.7
97.13470	0.3
98.06068	0.9
99.04453	0.8
102.05582	0.4
105.07047	0.9
107.04958	0.4
107.08617	1.5
109.06557	0.6
110.07115	0.4
110.09683	1.4
110.49494	0.4
111.02682	0.6
111.08069	2.4
115.02180	1.6
119.08604	0.9
120.08085	0.7
121.06557	0.4
121.10106	0.5
122.09660	3.1
124.07563	0.5
124.11270	0.7
125.04214	0.7
125.05997	1.0
126.05576	0.7
128.07056	0.4
132.01169	0.5
132.58948	0.9
133.10129	0.7
134.09660	0.6
135.11700	0.5
136.11201	2.3
137.06042	0.5
138.12863	0.7
143.05281	1.0
150.09137	3.1
151.07542	7.3
152.07869	5.9
152.10699	3.0
154.12270	1.1
162.12819	0.9
162.55573	0.5
164.14340	2.1
166.15956	1.4
168.10179	3.1
171.04800	0.9
175.11333	0.4
177.05551	0.8
178.15941	0.5
182.11766	9.5
184.13379	0.8
188.14322	0.4
190.15961	0.4
193.12358	0.7
194.15411	0.6
195.11238	0.5
198.11334	0.6
204.01942	0.4
211.88406	0.4
221.11897	0.7
227.11011	0.7
234.14890	0.9
236.16467	2.7
248.20206	1.3
249.05467	0.5
255.10500	0.9
262.18140	1.0
264.19534	2.3
277.05029	0.9
292.16544	1.6
292.19208	1.3
309.07574	0.6
319.03766	0.4
324.16290	0.4
329.64124	0.4
337.07010	1.3
346.23755	2.6
347.24622	0.6
348.25314	0.7
350.17911	1.6
362.23242	0.6
374.23343	0.7
376.21161	1.7
380.22498	1.9
389.22147	0.4
390.22519	2.7
422.19556	0.4
424.21512	30.9
425.21655	0.9
450.23041	4.8
454.67493	0.4
466.22424	3.8
467.25668	1.4
511.24731	100.0
512.24683	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	511.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04834	0.4
53.72746	0.4
55.01855	0.5
55.05504	1.0
56.05025	0.8
67.05502	0.7
68.05019	0.5
69.03431	4.0
69.07075	0.4
69.52340	1.0
69.52742	1.2
70.06595	6.2
71.04987	2.6
75.21935	0.4
77.08811	0.4
79.05480	1.1
80.05022	1.2
81.07047	1.6
83.04974	0.5
84.08132	2.1
86.09703	1.2
90.88613	0.4
91.05457	1.0
93.07053	2.1
94.06578	0.8
95.08600	1.5
96.08119	1.3
97.02859	0.6
99.04450	0.9
103.02180	0.7
103.34238	0.4
105.07056	1.0
107.08597	1.2
109.06544	0.7
110.07178	2.1
110.09702	1.0
111.08055	2.3
115.02156	1.8
120.08099	0.7
122.09683	3.0
125.04185	0.8
125.06000	0.6
128.07077	0.5
128.39412	0.5
129.10257	0.5
134.09628	0.8
135.08003	0.7
136.07578	0.7
136.11206	1.9
137.06006	1.3
137.09668	0.6
138.12766	0.5
143.05254	1.1
145.10104	0.5
150.09146	2.0
152.10678	2.4
154.12270	1.2
156.07626	0.6
162.12746	0.5
164.14377	2.2
166.15907	1.1
168.10162	2.4
171.04816	0.7
182.11746	7.2
184.13300	0.5
188.01631	0.6
216.01080	1.1
216.08687	0.6
227.10876	0.5
234.14987	0.6
236.16425	2.3
248.20151	1.3
251.14992	0.7
255.10207	0.5
262.18079	0.7
264.19626	1.6
273.03043	0.6
278.17578	0.5
292.19104	1.5
319.03790	2.0
346.23749	1.6
347.24484	0.9
348.25555	0.7
348.61200	0.5
350.17868	1.5
362.22876	0.5
380.22513	1.8
390.22745	7.2
424.21512	25.1
425.21899	1.0
450.23050	2.1
466.22534	3.8
467.25986	2.2
511.24704	100.0
512.24847	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	511.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.8
57.03437	5.6
57.07070	6.8
67.05506	9.5
69.07066	21.6
69.20341	7.0
71.08634	3.9
79.05488	5.7
81.07061	13.7
83.04993	1.5
83.08618	11.8
93.07059	5.7
95.08607	12.1
97.06550	2.5
97.10159	7.6
98.98473	9.5
101.34566	1.2
107.08602	4.8
109.10140	3.5
109.94569	1.6
111.11697	2.1
121.10131	5.0
135.11674	4.7
141.73158	1.1
149.13252	1.6
155.01076	3.3
175.67516	1.3
196.45253	1.2
265.25165	1.6
339.28934	100.0
340.28867	1.7
511.21536	2.0
511.35425	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	511.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67176	0.4
54.51644	0.4
65.89581	0.4
68.56692	0.5
69.33324	1.7
69.85135	0.4
87.07343	0.4
210.51575	0.4
236.02209	0.5
319.30045	0.5
437.99982	0.5
485.69513	0.7
511.32455	100.0
512.32617	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	511.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14202	0.4
69.33006	0.7
69.33400	1.9
73.97409	0.4
80.94875	0.5
127.93604	0.5
135.42667	0.4
181.93883	0.5
292.13962	0.6
467.75763	0.4
511.32446	100.0
512.32947	2.3
535.91516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.7
63.02384	0.5
67.05499	0.6
70.06596	5.3
72.04492	1.4
72.08154	31.1
79.05458	1.1
82.96499	0.5
84.08117	2.4
86.09715	2.8
89.03918	6.0
99.09199	1.0
100.07616	37.5
107.04951	2.3
109.11026	0.6
111.08069	0.5
112.11216	1.4
114.09164	0.7
117.03368	7.7
117.10258	2.7
127.03906	0.7
135.04408	15.5
145.02852	13.4
154.12341	0.6
155.11765	1.0
155.78897	0.7
163.03897	99.0
164.04233	1.1
170.16516	1.0
171.14915	17.8
177.51805	0.5
183.14903	0.7
188.17574	19.6
197.12889	4.1
214.15527	5.5
219.11295	1.6
219.72940	0.7
220.09663	12.8
229.14160	0.6
234.11246	11.3
236.02936	1.2
291.16934	1.5
332.19662	5.6
333.18024	11.6
350.20728	100.0
351.20972	2.2
376.18686	1.9
398.07675	1.0
452.21893	4.7
470.22717	0.7
479.61731	0.7
494.22183	1.4
512.11658	1.3
512.23730	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	512.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
54.20720	0.9
55.01864	1.8
55.05503	3.5
55.46152	0.7
57.03427	3.7
59.04992	0.9
61.02925	4.1
64.24434	0.8
65.03937	1.0
67.05512	4.3
69.03432	8.1
69.07069	4.0
69.62343	3.1
71.04980	2.4
73.02899	1.2
77.03945	1.3
79.05499	10.2
81.03407	3.7
81.07063	6.9
83.04973	3.0
83.08600	1.0
85.02905	40.1
87.04500	0.8
91.03954	1.4
91.05485	16.7
93.07048	79.7
94.07375	1.0
95.04975	4.5
95.08610	20.2
97.02896	10.7
97.06536	4.0
98.22731	1.3
99.04474	1.8
105.04510	2.4
105.07059	5.8
107.04953	0.9
107.08596	100.0
108.08896	1.3
109.02874	3.5
109.06502	2.9
109.10155	5.5
110.43394	0.8
115.03929	1.0
118.99224	0.7
119.06065	1.1
119.08580	2.4
123.11698	1.4
127.03913	10.7
133.10039	1.0
135.11693	84.9
137.06033	0.9
137.13245	2.3
145.04965	16.3
153.12749	23.6
163.06023	7.3
165.12759	1.5
171.13783	2.5
177.12845	1.1
255.40865	0.9
261.14969	0.9
279.15915	1.1
325.11154	2.3
512.22577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04467	0.8
53.03943	2.5
55.01878	1.1
55.05516	4.4
57.03437	2.2
57.07074	1.1
61.02925	3.0
65.03941	1.9
66.09205	0.8
67.05507	3.8
69.03429	7.4
69.07066	3.3
69.39813	3.3
70.06578	1.6
71.05015	2.0
73.02913	1.7
77.03912	1.5
79.05493	12.1
81.03419	3.3
81.07062	4.8
83.04989	8.4
85.02910	32.3
87.04433	1.1
91.03970	1.1
91.05488	20.6
93.07051	74.0
95.04977	5.0
95.08614	11.3
97.02902	8.6
97.06514	2.0
99.04447	1.7
103.03939	1.0
105.04512	2.3
105.07038	7.3
107.08601	100.0
109.02892	2.4
109.06518	3.0
109.10155	2.3
119.06030	1.1
119.08639	1.4
127.03903	9.0
135.11699	87.1
136.12051	1.4
143.32921	0.8
145.04970	18.2
147.11667	1.5
153.12758	21.1
163.06012	8.4
177.12845	0.8
292.19165	1.1
325.11310	2.4
337.07260	1.5
338.07526	0.9
338.19543	1.3
353.83957	0.9
512.23059	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	512.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81817	1.1
58.92661	0.9
69.03437	3.8
70.06593	2.1
89.43333	1.0
111.08083	14.2
118.06577	1.6
128.42645	1.3
144.08083	1.9
145.02863	1.5
146.06027	4.8
147.06387	3.7
150.09085	1.6
171.06628	1.5
177.05507	1.3
185.74710	1.2
188.07068	9.3
189.07443	6.2
190.61786	1.2
205.09734	4.6
206.15488	2.7
208.13521	1.1
234.14890	11.2
280.19028	1.6
308.18570	100.0
309.18857	3.4
410.43182	1.2
411.06601	1.2
512.25330	5.6
513.15765	2.1
513.33160	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	512.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
55.05507	17.7
57.03437	17.4
57.07072	7.3
67.05510	23.0
69.03428	4.0
69.07074	9.5
70.06589	5.1
71.04987	5.4
79.05498	25.7
81.03420	99.9
81.07059	26.1
83.04973	14.4
83.08620	29.3
85.02901	11.6
88.07632	6.4
89.06133	2.9
91.05486	33.3
93.07051	16.5
95.04974	32.8
95.08634	13.7
97.02855	3.8
97.06534	3.7
97.10175	3.6
102.09164	6.7
105.07010	20.4
107.04950	11.4
107.08591	9.6
109.06536	5.6
109.10170	3.8
111.04486	3.1
111.08091	9.9
117.07009	3.3
119.08581	21.9
121.06514	4.4
121.10155	12.1
128.06154	2.7
129.07002	11.7
131.08578	12.1
133.06490	5.3
133.10129	9.5
137.09572	3.0
142.07742	2.8
143.08521	3.5
145.06468	2.5
147.08040	4.4
147.11687	15.8
149.09592	5.9
154.61971	2.5
157.10150	12.5
175.11220	13.5
189.11195	3.3
193.12239	41.7
211.13310	41.2
211.73570	2.8
224.10182	2.6
256.26324	13.5
267.15912	100.0
273.14850	3.7
283.26315	13.5
285.16959	37.9
314.36844	2.7
349.21494	3.9
367.22629	9.4
385.23724	10.2
433.25955	4.2
459.27472	28.0
462.28833	2.6
477.28400	37.3
512.43481	4.6
512.50415	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.7
55.05505	19.8
57.03434	10.2
59.05002	4.6
67.05508	41.2
69.07053	16.4
69.30482	6.1
69.30890	14.0
71.04991	5.0
79.05497	44.4
81.03425	55.1
81.07057	39.0
83.04981	19.2
83.08599	21.1
85.02922	12.7
91.05484	75.9
93.07060	29.7
95.04984	23.6
95.08613	11.8
97.06511	5.6
105.07027	35.9
107.05008	20.0
107.08614	11.6
109.06544	6.7
111.08078	10.7
119.08583	27.9
121.06483	4.4
121.10179	7.9
123.14994	4.2
129.07027	15.0
131.08533	24.2
133.06512	6.1
133.10144	30.3
142.07809	6.6
145.10158	4.9
147.08035	6.0
147.11681	21.4
149.09598	6.7
157.10068	20.9
163.11197	5.7
175.11188	20.5
193.12265	46.1
194.35655	4.5
211.13318	40.5
267.15918	100.0
285.16977	25.5
459.27448	54.7
477.28497	51.4
512.33490	5.1
512.49988	9.7
526.78448	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83965	0.9
55.01864	2.4
69.18885	5.0
79.05505	6.9
79.45285	0.8
91.05481	5.0
94.54060	0.9
95.04958	2.3
95.08607	0.8
98.23515	1.9
103.05466	10.8
105.07027	73.8
115.05450	16.7
118.04123	5.3
119.04929	7.5
131.04939	5.9
132.05647	1.0
133.06485	69.0
137.05997	1.5
143.05043	1.3
143.06030	6.1
147.04408	13.1
148.05171	1.9
149.05989	5.8
151.07512	1.1
151.57002	0.9
161.05971	100.0
162.06612	1.9
163.07483	4.1
179.07039	6.8
184.04961	3.7
185.05688	1.6
191.07019	19.2
193.08589	44.7
201.05228	1.8
212.82259	0.9
215.06773	26.5
261.07364	4.2
357.56934	0.8
368.32153	1.0
396.89621	0.8
453.15167	12.0
513.17438	16.5
514.16980	1.4
517.50665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2678
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
52.90830	0.5
58.89091	0.4
59.14257	0.4
60.36669	0.4
63.18245	0.4
67.05497	0.7
69.03449	1.0
69.07065	0.5
71.05001	0.5
81.03399	0.8
81.07066	1.5
85.02903	1.8
87.04470	0.5
91.05487	0.5
92.71119	0.4
93.07043	0.9
95.08629	0.8
97.02926	1.2
103.62444	0.4
107.00793	0.4
107.08619	0.5
109.10191	0.7
115.03954	1.5
121.10158	1.3
127.03978	1.3
133.10129	1.3
145.10086	0.6
159.11647	0.5
163.11282	0.5
189.09030	0.6
203.05379	1.7
217.85805	0.5
237.14966	0.8
248.42247	0.4
289.21362	4.6
305.20886	11.9
325.58127	0.4
333.20325	3.3
351.21432	26.1
352.21976	0.9
444.20175	0.5
495.25626	1.0
513.26807	100.0
514.27252	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	513.304
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
57.07072	1.6
67.05502	0.9
70.06596	0.8
71.08617	0.6
71.42754	0.8
73.01948	0.5
79.05467	0.8
81.03448	0.7
81.07058	1.2
82.30883	0.5
88.07648	1.2
91.05486	1.2
93.07034	0.6
95.08583	1.5
95.82723	0.5
102.09161	0.7
105.07021	1.4
107.08617	0.6
108.30645	0.6
109.10182	0.8
121.58056	0.6
129.16196	0.6
139.27438	0.5
155.08572	0.7
155.10666	0.9
163.84157	0.7
168.52603	0.6
173.13229	0.7
194.45787	0.6
196.16351	0.6
203.05301	0.8
206.68875	0.6
222.50284	0.6
246.59872	0.7
256.26352	2.8
283.26288	2.7
317.25174	0.7
352.45181	0.6
472.61044	0.8
512.50488	5.0
513.30316	100.0
513.50427	3.7
514.30524	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.7
55.95864	1.6
57.03435	5.6
57.07059	1.8
61.02938	13.5
67.05505	25.4
69.03421	3.9
69.07065	10.8
69.59134	3.2
69.59521	4.0
71.04989	2.7
73.02916	4.0
79.05502	34.6
81.03419	3.9
81.07064	30.4
83.04977	3.0
83.08637	3.3
85.02911	9.6
85.06547	3.5
91.03970	3.8
91.05486	26.3
93.07048	45.8
93.07604	3.6
95.04980	4.9
95.08618	23.2
97.02897	5.9
97.06509	2.5
99.08125	2.1
105.07040	28.5
107.08595	26.4
109.10168	7.9
115.03913	2.2
115.05407	1.8
117.07024	8.3
119.08580	31.2
120.68956	2.1
121.10152	22.2
123.11707	2.5
129.07022	7.0
131.08577	12.5
133.10135	26.6
135.08040	2.2
135.11717	24.0
143.08569	7.1
145.10117	14.9
147.09871	1.8
147.11694	20.6
149.09630	3.5
149.13261	12.0
157.10124	7.6
159.11700	14.2
161.13255	18.5
161.68272	1.8
163.11168	2.9
163.14818	5.5
171.11684	8.0
173.13300	5.8
175.11206	2.4
175.13461	2.3
175.14835	13.5
179.14383	3.3
185.13289	8.4
187.14774	2.7
199.14836	4.6
217.19734	2.0
219.32559	1.7
231.17410	2.2
231.21051	5.3
241.19514	21.5
259.20605	49.5
262.02185	1.8
277.21613	8.2
326.91461	1.7
333.24146	8.5
349.23764	3.7
351.25302	100.0
352.25604	2.8
361.23734	2.3
367.22507	2.4
375.25302	3.2
441.26407	6.0
459.27386	5.0
462.21509	1.8
477.28629	3.4
495.29218	2.6
513.23077	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46742	0.3
61.21572	0.3
65.73833	0.3
70.71793	0.4
89.55538	0.3
94.83985	0.3
196.25249	0.3
256.26566	0.5
265.83936	0.3
283.26215	0.4
448.42477	0.4
512.50562	0.7
513.34015	100.0
514.34387	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	513.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92280	0.3
62.94658	0.4
69.23827	1.9
71.39037	0.4
74.32406	0.4
88.48377	0.4
141.94818	0.4
149.69568	0.4
154.33221	0.4
189.15129	0.4
208.13025	0.4
513.33990	100.0
514.34277	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	513.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.4
55.16508	0.3
57.07076	1.8
62.86325	0.2
69.07040	0.3
69.32207	1.3
70.06596	1.0
71.08639	1.0
85.10194	0.4
88.07634	1.1
89.06027	1.8
95.08593	0.3
102.09181	0.8
107.70313	0.3
133.08627	0.9
177.11214	0.3
219.58006	0.3
256.26337	2.4
257.26688	0.7
283.26288	2.1
284.26770	0.9
327.20148	0.4
512.50238	3.9
513.33978	100.0
514.34418	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
57.07064	1.6
59.04992	1.2
67.05506	4.3
69.03434	3.7
69.06762	0.5
69.07071	3.6
69.25019	1.9
69.25420	0.9
71.04631	0.8
71.04992	9.6
79.05499	3.4
81.03426	0.6
81.07055	9.4
83.04958	1.4
83.08620	2.8
85.06541	2.3
88.07644	1.3
89.06005	0.5
91.05480	4.8
93.07042	9.0
95.04954	1.9
95.08604	8.7
97.06513	1.6
97.10155	1.5
99.04435	0.6
99.07526	0.8
99.08096	7.0
102.09142	0.9
105.07043	7.5
107.04951	0.7
107.08591	12.2
109.06518	1.7
109.10165	15.2
111.08089	10.9
111.11708	0.6
113.09670	1.2
117.07033	2.7
119.08582	6.5
121.09391	0.6
121.10136	3.3
123.08060	1.9
123.11678	2.1
125.09638	16.3
127.07563	3.2
127.11198	15.3
129.06950	1.6
130.07797	0.9
131.08562	5.4
133.10126	5.8
135.08041	0.9
135.11687	3.1
137.09631	4.1
139.11194	1.5
141.06964	0.8
142.07777	1.6
143.08568	4.2
143.10677	6.6
144.09341	0.7
145.10127	11.8
147.11673	3.9
149.09616	2.4
149.13295	1.3
151.11200	1.9
153.09100	0.7
155.08556	2.7
155.10669	41.2
156.09370	1.7
157.10117	7.4
158.11008	0.8
159.11690	6.5
161.09605	1.2
161.13292	1.2
163.11211	1.6
167.08568	0.7
169.10132	3.1
169.12177	0.8
170.10895	1.3
171.11687	5.0
173.09569	0.9
173.13258	4.4
175.11163	1.1
175.14780	1.7
177.12657	0.9
179.08540	0.7
181.10126	2.1
181.12215	1.7
182.10963	1.2
183.11667	3.7
183.13780	1.1
184.12508	0.8
185.09872	0.6
185.11674	2.5
185.13260	4.3
187.14810	2.0
189.12711	0.7
191.14377	1.2
193.10092	0.7
195.11652	2.6
196.12514	0.9
197.13272	7.2
199.11119	0.8
199.14905	4.2
201.12651	0.8
201.16245	0.5
201.92867	0.6
203.05247	1.0
203.14346	1.2
209.13235	3.5
209.15376	2.2
210.14012	0.6
211.14844	4.9
211.16783	1.0
213.16347	1.8
215.14227	1.0
217.16071	0.6
223.14738	2.7
225.16394	2.3
227.14432	0.8
227.17943	1.4
229.15825	1.1
235.14780	1.5
237.16304	1.7
241.15805	1.0
243.17435	1.4
245.19005	1.3
249.16386	0.7
251.17940	0.6
253.19472	0.8
256.26337	1.8
257.26688	1.0
257.47610	0.5
263.17889	1.0
265.19519	2.1
267.21039	1.4
271.20364	1.0
279.21082	1.1
283.20605	5.5
283.26199	1.9
285.22113	2.0
295.20468	0.8
297.22083	3.5
301.21545	1.5
305.21149	0.8
309.22192	0.7
311.23471	1.0
327.23062	0.7
331.22781	1.8
343.22894	2.8
345.24335	0.7
349.25266	1.6
357.24252	5.8
367.26193	1.2
371.25854	0.9
385.27130	0.8
409.27338	0.7
417.31308	1.1
427.28452	0.6
431.27045	0.7
435.32608	6.9
453.27332	0.7
453.33627	10.0
495.34766	4.7
512.50354	3.7
513.30103	100.0
513.50476	4.4
514.30487	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	514.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97948	0.7
51.36042	0.7
55.01876	3.7
56.95293	0.6
56.96556	6.9
69.22681	4.4
71.95252	1.3
75.05846	0.8
84.61131	0.6
96.36989	0.8
98.97589	3.7
105.06998	0.9
110.97570	0.8
112.99122	8.1
116.98613	1.9
120.68945	0.7
124.99113	0.8
125.05981	2.9
128.98608	2.4
131.00175	15.6
143.00163	1.3
146.99712	1.1
149.01228	12.5
154.01776	0.9
161.01234	1.5
163.02719	1.4
164.10724	12.3
167.02254	2.1
172.02824	1.4
176.10710	12.4
190.12244	0.8
191.10031	0.8
191.33562	0.7
216.13876	1.1
238.07559	0.8
239.94701	0.8
250.07411	0.8
256.06360	0.8
256.13480	0.7
258.08118	1.3
260.16513	1.1
262.07706	0.9
274.07523	1.9
276.09128	2.6
281.13712	0.8
288.09164	2.4
288.15924	77.4
289.16296	2.1
290.10550	1.0
298.07809	0.9
298.11145	1.0
300.12662	1.6
302.10519	1.0
306.10495	1.0
311.08362	1.7
312.09085	1.2
314.10455	1.0
316.12177	2.6
317.09183	0.8
318.13541	1.6
324.09183	1.1
324.12677	1.4
326.10553	13.7
326.14206	1.1
327.11584	1.6
328.08466	1.0
328.12131	1.7
329.09415	1.8
330.13675	1.6
340.08597	2.2
340.12253	1.0
342.10080	1.3
342.13824	2.3
344.11664	57.8
345.12228	2.5
356.11707	1.3
358.09656	0.8
362.12756	18.5
367.13257	5.3
376.11768	0.8
378.13577	4.6
380.11667	2.7
386.12729	17.7
387.13116	1.0
392.15344	1.9
395.14020	1.2
396.14835	4.1
398.12485	1.5
398.19595	2.7
404.13797	4.3
410.16339	13.7
413.14569	1.0
414.15591	0.9
416.20450	1.2
427.15338	1.3
428.17560	4.1
436.14172	4.0
451.19281	1.5
454.15366	28.3
455.15784	1.3
471.93674	0.9
472.16418	20.5
490.17548	5.3
495.17865	2.0
514.17462	100.0
515.17633	5.6
532.18561	12.8
533.19086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01859	1.9
55.05499	1.5
57.03413	2.0
61.02897	2.0
65.32365	0.7
67.01845	1.0
69.03434	8.3
69.51846	2.7
70.06573	0.9
71.04960	1.4
73.02896	1.2
76.39014	0.6
76.61535	0.7
79.05460	2.6
80.05003	3.9
81.03403	2.9
82.06581	3.5
83.07357	3.8
84.08139	9.1
85.02896	6.8
87.04447	1.8
91.05470	2.8
93.07034	2.4
94.06533	2.1
95.04940	2.1
96.08083	1.0
97.02914	4.5
97.06551	1.3
99.04444	1.4
103.05441	1.2
105.06992	1.0
108.08125	0.9
109.02855	1.2
112.48387	0.8
117.51450	0.6
121.02821	0.9
121.06506	11.1
122.09666	7.1
124.11188	1.9
125.05956	1.2
125.09639	1.8
127.03909	1.8
132.08052	0.8
134.09659	1.3
136.11168	0.9
137.05975	1.4
139.07535	3.1
143.64955	0.8
149.05983	2.8
150.09134	7.7
152.10684	7.3
154.12265	2.3
167.07019	2.2
168.10210	13.6
180.10236	4.3
182.11768	77.8
183.12050	1.6
188.07054	1.3
206.08008	0.9
208.13298	2.4
216.10219	1.6
218.11713	1.1
224.12801	1.2
234.11104	0.8
242.11766	0.7
244.09599	1.2
262.10751	1.4
272.16403	1.9
274.14609	0.7
280.11826	1.3
288.15939	1.4
316.15402	6.6
317.95718	0.7
318.17059	3.3
334.16486	95.7
335.16922	1.9
352.17514	24.0
496.21735	15.3
513.33246	2.4
514.22809	100.0
514.33344	5.0
515.23151	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	514.244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18130	1.0
69.03409	1.2
70.06593	2.1
70.43443	1.5
91.05447	1.5
93.07061	1.2
95.05003	1.1
103.05396	1.2
121.06502	2.3
123.04377	1.0
124.05215	1.2
130.29575	1.0
131.04964	1.5
137.05954	2.4
137.37115	1.1
149.05991	1.7
165.05423	1.2
167.07048	22.3
167.08394	1.1
177.05492	3.3
181.08553	1.4
183.07947	1.2
191.07016	3.3
193.10112	1.7
194.07248	1.2
195.08041	1.9
196.08905	1.2
208.08791	1.8
209.07985	3.1
209.09624	8.6
210.10393	4.1
211.07587	3.7
211.11087	2.1
213.12767	1.5
223.11090	1.9
224.08295	1.5
225.09146	1.6
226.09903	12.4
227.09029	2.2
235.11226	1.7
237.09050	5.1
238.09830	5.1
239.07120	1.9
239.10683	4.0
240.11464	3.2
241.08794	1.5
241.12129	4.5
249.08937	1.5
251.10553	2.5
252.11519	1.2
253.12347	1.9
254.09431	9.8
255.10278	1.1
256.10931	3.8
263.10773	7.2
264.08215	1.2
264.11456	5.6
265.08536	1.3
265.12296	1.6
267.10199	1.9
267.13794	2.4
268.10980	3.0
269.11731	100.0
270.12244	3.3
271.13269	6.7
280.10944	7.9
281.11560	1.5
283.13321	5.8
295.13275	17.1
310.11969	1.3
315.12198	1.1
325.10880	1.5
325.14355	15.1
378.58981	1.1
429.16888	2.8
430.17740	2.2
446.17065	1.7
449.19702	1.8
461.19424	9.3
479.20654	15.7
514.26953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08010	1.0
60.24591	1.2
62.70939	1.0
69.58588	3.6
78.04710	2.7
79.05470	1.3
89.35412	1.3
91.05477	2.9
95.05013	1.4
105.07018	1.4
106.04163	1.2
108.74168	1.0
121.06499	2.5
123.04423	3.6
133.06516	2.4
134.31909	1.3
137.06024	1.7
149.06032	1.2
151.07545	1.6
161.05988	8.6
165.07022	1.7
166.07875	1.3
167.07036	71.0
168.07399	1.8
181.08612	3.3
181.10182	3.3
191.07043	2.2
191.08565	1.3
193.08636	5.3
193.10156	1.4
195.07997	1.4
201.42511	1.1
207.11708	1.2
209.09633	5.5
210.10349	4.6
211.07478	5.4
212.08257	1.3
220.08842	1.8
221.09659	2.2
223.07539	1.5
225.09157	2.3
226.09933	15.0
233.09554	1.5
234.10327	1.3
235.11154	6.7
237.09145	1.4
238.09904	4.7
239.06989	2.0
239.10464	1.6
240.11391	1.5
241.12212	3.2
248.08206	2.4
249.09143	3.9
251.10689	3.5
252.11397	2.6
253.08585	2.5
254.09419	5.8
261.08972	1.2
262.09787	1.9
263.10687	10.3
264.11502	11.6
265.08780	1.9
265.12042	3.1
267.10260	2.0
269.11719	100.0
270.12161	3.0
275.10614	1.9
276.11331	2.2
279.10248	1.8
279.13852	2.0
280.10947	9.3
281.11685	3.2
283.13269	11.2
292.10760	1.4
293.11423	1.5
294.12448	2.0
295.13293	59.6
296.13544	2.5
307.13318	9.8
317.13858	2.1
325.14322	27.8
461.19592	4.6
466.60562	1.2
479.20370	5.1
514.26910	1.7
515.28613	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	514.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14987	1.2
70.06597	2.2
70.38094	0.9
71.45878	1.1
83.49458	1.1
85.02890	1.2
85.42300	0.9
93.16600	1.1
107.04909	1.5
121.06526	1.5
137.06042	1.3
161.06033	2.0
167.07042	14.8
191.07050	3.0
194.07249	1.0
195.08090	1.5
196.08823	1.7
197.09633	1.1
208.08878	1.6
209.09651	7.2
210.10417	3.8
211.07559	4.3
211.11230	1.7
213.12804	1.4
221.09557	1.4
222.10515	1.3
223.11127	3.0
224.08308	1.8
225.09081	1.5
226.09872	13.1
237.09114	3.6
238.09924	3.4
239.07083	1.4
239.10657	5.8
240.11446	2.9
241.12242	4.7
249.15068	1.1
251.10728	1.9
253.12260	2.3
254.09421	10.5
255.09877	1.2
256.10898	3.1
262.09860	1.1
263.10632	5.1
263.53708	1.1
264.11423	5.9
264.98712	1.1
265.08621	1.6
265.12289	1.7
267.10220	1.9
267.13693	1.7
268.10980	3.2
269.11722	100.0
270.12164	3.1
271.13266	7.6
280.10980	10.4
283.13364	3.5
295.13297	18.2
325.14362	15.6
325.98636	1.2
379.08380	1.2
418.17770	1.2
429.17413	1.4
446.17429	1.3
447.42294	1.2
449.19360	1.3
461.19797	8.5
479.20731	14.5
496.42142	1.2
514.26892	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	514.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06574	2.8
107.04994	3.1
121.06511	4.1
123.04423	3.5
127.12395	2.5
131.04933	2.2
156.10921	2.0
157.94655	2.0
167.07057	62.2
181.08592	3.8
193.08606	3.8
195.07845	2.1
200.55234	2.3
209.09735	2.8
210.10419	4.2
211.07671	2.1
220.13322	2.3
223.11139	2.3
226.09935	9.2
227.22614	2.0
235.11272	3.6
240.11519	2.4
241.12059	4.3
251.10649	3.2
254.09377	7.0
263.10709	5.0
264.11462	5.4
269.11734	100.0
270.12268	2.7
280.10944	7.0
281.11765	10.3
283.13184	6.0
295.13284	56.1
307.13348	5.1
325.14359	21.8
461.19458	4.0
481.36295	2.8
514.25342	3.2
515.25696	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	514.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24295	2.2
57.07077	4.1
58.82677	1.9
65.03954	2.7
67.05524	2.5
69.07069	2.0
69.70502	5.1
70.06590	3.8
71.08627	3.0
79.05498	5.7
88.07635	6.0
89.06045	5.6
91.05480	86.4
91.06056	4.2
95.04971	3.0
98.23427	2.2
102.09167	4.7
103.05470	6.1
105.07031	100.0
106.07334	2.7
117.07040	3.8
121.06507	2.9
128.06248	1.9
129.07010	5.6
133.08662	2.2
141.07002	7.1
143.08556	4.4
145.06488	3.0
150.06697	2.3
153.06984	3.0
155.08577	18.6
167.08578	2.7
169.10126	4.7
171.11751	4.9
175.07524	3.2
179.08589	4.1
181.10045	3.6
195.08026	2.7
197.09627	8.8
198.10341	6.8
203.07056	8.6
209.09671	4.9
251.10736	2.8
256.26291	9.7
257.26752	6.8
268.02701	2.0
275.14172	3.1
281.11716	12.6
283.26398	5.7
284.26620	7.3
291.13809	3.1
297.12762	2.1
309.14880	25.7
312.15146	3.5
313.12177	2.6
319.13309	3.9
327.13776	4.5
331.13095	3.1
337.14352	9.3
409.21600	2.3
419.19879	6.5
433.21872	3.7
437.21112	47.1
451.22614	7.1
461.21008	16.3
479.22174	94.8
480.22354	6.0
513.50812	29.7
514.31714	4.2
514.50879	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	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33535	1.2
53.03943	1.9
55.01874	1.5
55.05514	5.1
57.03438	3.1
58.66161	1.2
61.02945	1.6
67.05503	7.1
69.03447	2.6
69.07066	2.1
69.47082	4.4
71.04990	2.9
79.05491	8.0
81.03416	90.9
81.07049	6.5
83.04978	3.4
83.08619	22.1
84.08163	2.4
85.02927	2.7
91.05484	11.7
93.07048	6.2
95.04967	29.3
95.05534	2.3
95.08607	2.2
97.02889	3.9
100.01283	1.2
105.07049	9.4
107.04971	5.1
107.08614	3.5
109.02895	1.8
109.06531	1.7
109.10133	1.5
109.92506	1.1
111.04448	1.6
111.08103	9.0
119.04987	1.5
119.08587	9.9
121.10150	4.6
121.13393	1.3
123.08101	1.5
129.07047	6.3
131.08569	8.0
133.06509	3.0
133.10114	2.4
136.37891	1.7
142.07799	1.4
145.10202	1.6
147.08063	3.9
147.11696	6.9
149.09633	4.3
157.10129	11.6
165.12720	2.6
167.04419	1.2
175.11197	13.9
193.12233	74.6
194.12793	1.8
209.11803	1.3
211.13327	5.5
235.13290	3.2
259.13382	1.2
267.15903	37.7
268.16074	1.3
285.16956	100.0
286.17236	1.7
301.14398	1.4
309.17007	9.1
363.18155	2.5
375.18076	2.3
388.42831	1.5
393.19049	1.7
407.59079	1.2
514.24274	9.1
522.68695	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01863	1.7
55.05504	5.5
57.03440	4.6
61.02926	3.4
67.05505	8.4
69.03438	2.8
69.07055	1.5
69.07793	8.0
69.43709	1.3
71.04971	1.5
73.02888	1.2
79.05489	8.2
81.03419	85.9
81.07054	7.3
83.04982	4.0
83.08624	21.7
85.02921	3.7
91.05474	11.6
93.07047	6.4
95.04966	25.3
95.08598	3.1
97.02919	4.1
99.08110	1.5
100.72955	1.2
105.07047	9.8
107.04953	5.6
107.08582	3.5
109.06528	2.6
111.04433	2.4
111.08089	10.3
119.08592	10.3
121.06525	2.6
121.10171	3.2
123.04449	2.2
129.07019	6.1
131.08565	7.8
133.06490	2.8
133.10152	4.3
137.09579	1.3
142.07826	2.6
145.10103	1.2
147.08051	3.1
147.11726	7.2
149.09619	6.0
152.41795	1.4
157.10143	12.1
158.20427	1.3
165.12741	2.2
175.11205	14.1
193.12239	70.2
194.12546	2.3
211.13347	6.9
235.13245	2.1
249.14804	1.2
267.15930	54.9
268.16125	1.3
282.97171	1.2
285.16971	100.0
286.17352	3.0
309.16843	12.6
309.86859	1.1
351.17981	1.8
363.18045	2.6
375.18024	1.2
393.18976	1.7
411.20044	1.8
429.21185	5.5
454.15225	2.6
472.16507	2.7
514.24329	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	514.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
61.02922	1.2
67.05504	0.9
69.03417	2.0
69.07064	1.1
69.29298	1.9
69.29685	1.4
70.85861	0.7
71.04997	0.8
79.05504	1.8
80.16094	0.7
81.07057	5.3
84.08147	6.9
85.02909	6.5
86.09724	1.4
87.77709	0.9
91.05459	1.1
93.07037	2.6
95.08599	4.3
97.02895	2.2
105.07032	2.9
106.66732	0.7
107.08613	2.3
109.02842	1.2
109.10148	1.9
119.08570	2.7
121.10151	7.3
125.25015	0.7
127.12299	7.5
131.08569	3.4
133.10130	3.4
135.11710	1.4
137.05983	2.8
139.26239	0.8
143.08565	2.5
145.10124	4.0
147.11682	2.9
149.13298	1.3
155.08566	1.5
157.10130	4.5
159.11719	4.2
161.13300	1.9
163.11215	1.0
169.10123	2.6
171.11705	3.3
173.13268	3.4
175.07460	0.8
177.12704	1.0
185.13275	3.9
187.14799	1.4
187.32837	0.7
189.12770	1.1
197.13287	4.4
199.14856	2.5
203.14459	1.0
211.14795	1.9
213.12822	0.9
213.16328	3.6
225.16360	1.5
231.13808	5.0
241.19514	11.5
243.21068	5.5
253.19586	6.2
259.20578	56.3
260.20944	0.9
271.17590	1.3
271.20563	22.4
289.21613	100.0
290.21979	2.2
299.19958	0.8
317.21005	2.4
335.22162	17.2
514.27057	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	514.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69333	1.0
56.88404	1.2
65.98697	1.1
67.05495	1.8
69.03445	2.1
70.06585	1.2
72.08156	2.6
74.10899	1.0
79.05518	2.0
81.07045	4.0
84.08146	8.9
85.02913	4.9
86.09692	1.3
91.05481	1.3
93.07047	4.6
95.08618	6.4
97.02885	2.2
98.22693	2.2
105.07021	2.0
107.08573	2.5
109.10175	2.8
109.68330	1.1
119.08598	3.7
121.10141	5.6
123.92448	1.2
127.12319	9.4
131.08582	2.4
133.10146	1.7
135.11667	1.4
143.08560	2.7
145.10132	3.3
147.11702	2.3
149.13266	2.4
155.08478	1.5
157.10132	3.4
159.11737	4.7
161.13324	2.8
169.10188	2.2
171.11700	3.3
173.13283	3.4
185.13252	4.3
187.14772	1.9
189.12910	1.6
197.13278	3.8
199.14803	2.7
201.16449	2.0
213.16414	3.7
225.16393	1.6
241.19473	10.9
243.21062	8.3
253.19482	5.5
259.20569	59.5
260.20816	1.4
271.20560	21.6
289.21609	100.0
290.22021	2.1
299.20200	1.4
317.21198	4.0
335.22174	12.0
373.52350	1.1
456.38940	1.1
514.24365	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	514.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01881	1.8
55.05508	4.7
56.05038	3.0
57.03443	3.6
60.04524	19.7
61.02911	1.8
67.05499	15.6
68.05037	2.7
69.03427	8.4
69.07077	4.4
70.06592	7.3
71.05002	2.6
72.04518	3.6
73.02938	4.0
74.06087	4.4
79.05498	12.9
80.05021	4.5
81.03423	6.4
81.07055	18.9
82.06599	2.6
83.04985	3.4
83.08633	3.1
84.04509	4.1
84.08152	1.3
85.02903	18.4
85.06553	3.3
86.09712	1.2
87.04454	2.6
91.05473	8.0
93.07040	15.3
94.06541	1.5
95.04992	2.5
95.08605	18.3
97.02895	9.0
97.06520	1.9
99.04480	2.5
99.08063	1.5
99.94112	1.5
102.05543	44.3
105.07011	6.1
107.04984	2.0
107.08580	6.6
109.02901	2.0
109.06503	1.7
109.10175	8.2
110.06059	1.8
116.07082	1.7
117.07023	3.3
119.08580	7.3
120.06597	5.4
121.10147	10.8
122.09666	1.5
125.09600	1.3
127.03909	3.3
127.44236	1.3
131.08560	3.1
133.10155	6.9
135.11726	5.5
136.06215	4.3
136.11201	2.9
137.09671	1.3
137.11600	1.4
145.10168	4.6
147.11697	3.6
149.13210	2.0
151.07539	2.9
151.11409	1.3
159.11684	3.7
163.14810	2.8
173.13264	1.5
175.14844	1.7
177.05548	1.8
177.16458	1.8
182.11755	1.7
201.16460	1.4
202.10847	1.8
215.17990	2.1
220.11993	2.8
230.94002	1.3
236.16258	1.5
244.20599	2.2
261.55054	1.3
262.21741	4.2
269.20966	1.4
280.22711	9.7
298.23792	21.9
298.26987	2.1
299.24319	1.6
316.24823	35.7
317.25455	1.3
334.25900	35.1
352.26935	100.0
353.27072	4.1
374.23123	2.2
375.23447	8.6
393.24527	2.2
394.28027	2.5
397.21973	1.6
409.22403	3.8
424.21530	3.5
425.21793	18.3
427.23154	3.9
453.25085	1.3
460.28864	1.9
496.24808	1.9
496.31458	6.5
514.26208	44.9
514.32275	70.4
515.17377	2.5
515.25720	2.5
515.32629	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	514.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01881	1.8
55.05508	4.7
56.05038	3.0
57.03443	3.6
60.04524	19.7
61.02911	1.8
67.05499	15.6
68.05037	2.7
69.03427	8.4
69.07077	4.4
70.06592	7.3
71.05002	2.6
72.04518	3.6
73.02938	4.0
74.06087	4.4
79.05498	12.9
80.05021	4.5
81.03423	6.4
81.07055	18.9
82.06599	2.6
83.04985	3.4
83.08633	3.1
84.04509	4.1
84.08152	1.3
85.02903	18.4
85.06553	3.3
86.09712	1.2
87.04454	2.6
91.05473	8.0
93.07040	15.3
94.06541	1.5
95.04992	2.5
95.08605	18.3
97.02895	9.0
97.06520	1.9
99.04480	2.5
99.08063	1.5
99.94112	1.5
102.05543	44.3
105.07011	6.1
107.04984	2.0
107.08580	6.6
109.02901	2.0
109.06503	1.7
109.10175	8.2
110.06059	1.8
116.07082	1.7
117.07023	3.3
119.08580	7.3
120.06597	5.4
121.10147	10.8
122.09666	1.5
125.09600	1.3
127.03909	3.3
127.44236	1.3
131.08560	3.1
133.10155	6.9
135.11726	5.5
136.06215	4.3
136.11201	2.9
137.09671	1.3
137.11600	1.4
145.10168	4.6
147.11697	3.6
149.13210	2.0
151.07539	2.9
151.11409	1.3
159.11684	3.7
163.14810	2.8
173.13264	1.5
175.14844	1.7
177.05548	1.8
177.16458	1.8
182.11755	1.7
201.16460	1.4
202.10847	1.8
215.17990	2.1
220.11993	2.8
230.94002	1.3
236.16258	1.5
244.20599	2.2
261.55054	1.3
262.21741	4.2
269.20966	1.4
280.22711	9.7
298.23792	21.9
298.26987	2.1
299.24319	1.6
316.24823	35.7
317.25455	1.3
334.25900	35.1
352.26935	100.0
353.27072	4.1
374.23123	2.2
375.23447	8.6
393.24527	2.2
394.28027	2.5
397.21973	1.6
409.22403	3.8
424.21530	3.5
425.21793	18.3
427.23154	3.9
453.25085	1.3
460.28864	1.9
496.24808	1.9
496.31458	6.5
514.26208	44.9
514.32275	70.4
515.17377	2.5
515.25720	2.5
515.32629	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	514.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.05518	25.7
57.03443	27.5
57.07061	5.2
67.05503	83.4
69.03430	6.8
69.07085	26.4
71.44073	5.0
73.87521	4.3
79.05496	62.1
81.03423	65.2
81.07059	92.6
83.04974	20.4
83.08630	26.5
85.02920	33.2
85.06522	6.3
91.05484	58.0
93.07053	67.6
93.87844	4.5
95.04970	36.1
95.08611	29.7
97.02952	6.3
97.06525	17.3
97.10115	6.5
105.04518	5.6
105.07020	33.8
107.04921	10.1
107.08584	38.7
109.06513	15.4
109.10170	4.9
111.08084	18.2
113.05996	5.4
117.06984	5.5
119.08614	26.2
121.10155	28.0
123.08069	6.1
124.03986	5.1
129.07002	17.2
131.08562	25.6
133.10168	22.1
135.11694	9.3
136.63806	4.6
142.07872	5.8
147.11694	16.7
149.09616	6.9
149.13271	33.4
157.10118	15.5
159.11685	21.6
175.11140	12.5
193.12289	46.1
195.13820	15.3
206.11792	42.0
211.13292	75.9
230.18983	8.5
267.15903	23.5
269.17468	100.0
276.15970	47.0
285.16946	58.3
461.29047	45.1
479.30054	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	0.9
55.05507	3.4
56.46993	0.6
57.03439	7.0
57.07055	1.1
58.06602	27.4
58.06872	0.9
59.07384	8.7
60.08167	8.8
67.05492	1.1
69.07088	3.1
71.08603	0.6
71.46343	0.6
73.02907	1.8
75.04470	3.2
79.05473	1.3
79.35719	0.7
81.07042	1.5
83.08606	2.5
85.02866	2.8
87.04475	5.9
91.05447	1.0
93.06999	1.0
95.08581	1.5
97.10205	1.1
103.03923	0.7
104.49162	0.6
105.05477	0.8
109.10136	1.0
113.05984	0.8
119.67425	0.6
121.10072	0.8
131.07030	1.6
133.10147	0.7
144.10202	7.6
162.11241	3.1
189.86731	0.7
236.14923	100.0
237.15292	1.4
279.16049	0.6
322.13718	0.6
496.39999	21.0
497.40131	0.9
514.41052	75.5
515.41473	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46658	4.9
56.96563	9.6
61.25028	5.2
69.41348	26.3
70.06557	5.0
84.26829	5.8
85.02874	7.6
86.62498	6.1
91.05508	10.3
98.22655	10.6
105.03397	7.8
107.04935	15.4
107.43076	5.5
115.03913	5.9
119.08553	5.9
123.45021	5.9
123.99041	6.1
142.28035	5.7
142.63535	5.9
142.88559	5.8
151.07513	7.0
165.69576	5.4
166.68634	6.9
179.00267	7.2
197.01254	37.2
208.08707	5.8
215.02249	11.2
217.23328	6.2
224.08324	10.6
239.02295	7.5
248.08360	10.5
267.10120	29.9
269.11621	28.4
279.10193	24.9
281.11816	10.0
291.10138	9.2
293.11816	9.9
295.13425	6.8
323.12927	7.7
347.12531	9.9
353.22769	7.8
357.06512	11.8
365.13904	24.2
408.61249	6.7
485.49353	6.3
499.96970	6.0
515.09515	100.0
515.28644	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.5
59.04998	1.1
67.05503	0.8
69.03433	0.9
74.31808	0.4
79.05486	0.6
81.07046	1.0
85.02892	0.8
92.71996	0.5
93.07032	0.7
97.06532	0.5
102.28338	0.5
119.08495	0.5
121.06488	0.7
121.10115	0.6
127.03916	0.7
135.08047	0.8
162.12825	0.7
190.33031	0.5
194.11763	2.3
204.13841	2.0
223.13019	2.3
232.16992	0.6
245.06331	2.0
250.17944	0.9
260.16434	1.4
267.15662	3.5
278.17419	1.6
289.05197	0.8
323.54031	0.5
429.20847	3.4
471.22003	24.0
472.22760	1.2
498.24976	1.7
515.20862	100.0
516.26758	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03932	0.7
54.43367	0.4
57.07064	0.5
64.61813	0.3
67.05497	0.7
70.14396	0.8
77.03933	0.5
79.05044	0.7
79.05490	11.6
81.07041	1.3
84.64761	0.4
91.05470	4.3
91.33995	0.3
93.07014	1.5
95.04981	2.6
95.08603	0.7
97.57552	0.3
103.05470	10.9
105.04508	0.8
105.07031	32.0
107.04942	1.2
107.08578	1.0
108.05700	0.4
109.06529	0.6
109.10174	0.7
115.05450	0.6
117.06983	0.5
118.04123	0.6
119.04939	1.4
119.08602	0.7
120.05717	5.1
121.06494	2.4
121.10136	0.3
122.07286	0.5
123.08060	1.1
131.04941	0.5
133.06467	2.2
134.07263	0.6
135.04375	0.9
135.07039	0.8
135.08052	12.6
137.05998	0.6
138.06772	1.1
139.07533	1.3
149.05966	1.1
149.09631	0.6
150.05623	0.6
150.06770	10.8
151.07544	7.9
153.09111	4.4
165.09114	100.0
166.09453	1.7
178.07726	0.5
179.08577	1.0
179.10675	4.3
181.06516	0.5
182.07285	1.0
183.08070	1.2
196.08713	0.5
196.46600	0.4
197.05943	0.7
197.09628	1.5
199.07539	0.8
207.07941	0.4
210.06779	1.3
211.07565	2.2
213.09088	0.8
221.09624	0.7
224.08269	0.5
225.09116	5.9
225.16988	0.4
239.10616	3.2
246.32256	0.4
257.11682	1.3
261.22113	0.9
345.14966	0.5
363.15936	8.5
377.17535	3.3
514.50995	0.4
515.24280	45.6
516.25006	3.2
539.11151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2437
Annotation	Telmisartan
Peak:m/z	Relative Intensity
53.74619	0.5
57.07085	0.7
60.39351	0.6
67.98215	0.5
67.99975	0.4
69.44460	0.9
69.44864	1.6
71.04273	0.4
71.08624	1.3
79.05515	0.5
80.20045	0.5
89.06038	1.3
91.05474	3.8
93.07058	2.0
95.04992	0.6
105.07027	2.2
109.06527	1.4
119.06139	0.5
121.06503	12.0
121.07328	0.9
131.08557	0.8
133.06503	1.0
133.08592	0.9
135.08069	2.4
147.08055	0.5
149.05891	0.6
159.08067	1.0
159.11732	1.7
159.89882	0.6
168.09496	0.7
169.10098	0.7
172.08745	0.6
183.11739	0.7
186.10437	1.0
187.07544	0.6
187.11183	3.8
193.10165	0.8
196.08842	0.6
197.09642	1.7
199.11163	0.8
201.09207	0.5
201.12790	1.7
211.11183	1.5
214.09898	1.6
215.10655	4.4
220.13312	0.9
227.10599	0.9
229.12202	6.4
236.14915	0.7
239.10683	2.6
242.09506	1.0
257.11725	7.2
335.16513	1.8
347.16403	1.4
349.18011	2.1
361.17926	1.5
363.15948	3.8
377.17517	4.1
378.18271	45.1
379.18588	2.2
451.22729	0.6
469.23752	100.0
470.24075	4.5
497.23001	4.8
514.50635	1.3
515.24548	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	515.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.3
51.02375	0.5
53.03943	1.2
55.92140	0.2
65.03945	0.3
67.05503	0.3
77.03928	1.2
79.05493	1.4
81.07062	0.4
91.05482	8.7
93.07046	12.9
95.04973	5.4
95.08598	0.3
98.23505	0.5
103.05467	13.8
105.04520	2.9
105.07027	2.8
107.05011	0.3
109.32114	0.2
117.07043	0.5
119.08574	0.3
120.05756	0.4
121.06507	100.0
122.06828	1.6
128.71466	0.3
128.85400	0.3
135.08081	1.4
147.07915	0.3
149.09659	0.5
150.06738	0.9
151.07523	0.8
153.09142	0.5
165.09116	8.6
179.10677	1.7
209.09756	0.4
225.09071	0.7
226.09785	0.4
239.10602	0.3
241.12383	0.3
242.09331	0.3
243.10101	1.5
254.09373	0.5
255.10162	0.6
257.11707	1.5
269.11679	2.4
283.13269	0.4
363.15915	0.4
395.18570	5.6
409.01984	0.3
421.20117	4.6
442.33569	0.3
515.24243	15.0
516.25610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2436
Annotation	Telmisartan
Peak:m/z	Relative Intensity
51.00541	0.6
51.02376	0.8
53.03941	0.8
55.05513	0.6
58.69291	0.6
65.03937	2.7
67.05502	1.6
79.05487	7.1
80.08168	0.7
81.07055	1.4
91.05482	36.3
93.06456	0.7
93.07051	13.6
95.04967	2.6
95.08613	1.2
100.48926	0.5
103.05470	4.3
105.03408	4.7
105.04518	1.4
105.07036	19.2
106.04160	0.7
106.07346	0.6
107.04946	2.8
107.08576	1.2
109.06517	9.1
109.10175	1.2
115.05412	0.6
119.05217	0.9
119.06079	7.6
120.05739	2.4
121.06512	67.8
121.10140	0.8
122.06802	1.2
128.06244	0.9
131.04924	1.2
131.08583	1.3
133.06497	0.8
135.08055	51.1
137.05974	0.9
141.07007	0.9
141.11621	0.6
144.05708	2.6
145.06490	2.3
147.08060	1.5
149.13289	0.7
150.06703	0.7
151.07570	2.2
158.07275	2.0
159.08043	5.0
160.05203	0.6
161.06006	1.6
161.09625	1.5
165.07048	0.9
171.08060	2.4
173.06059	0.9
173.09610	3.5
175.07553	9.1
179.08577	2.2
181.06482	0.8
181.10176	0.7
185.05965	2.5
187.07594	1.0
188.08371	1.4
189.09180	1.4
195.08174	0.8
196.08859	1.7
197.09546	1.0
199.07521	3.4
201.09131	1.4
209.08017	1.6
211.11183	2.2
212.08325	1.9
213.09138	2.0
220.13469	1.1
224.08208	0.7
225.09177	2.1
227.10730	2.4
239.10735	1.4
241.08624	0.9
243.13518	0.6
255.10146	3.1
257.11786	2.0
261.22217	1.4
267.10193	0.8
268.36548	0.7
309.14868	3.0
389.17416	0.9
407.18280	0.9
469.23874	5.8
497.23236	100.0
498.23865	5.1
515.15674	0.8
515.23792	1.3
515.36285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2981
Annotation	fijianolide A
Peak:m/z	Relative Intensity
50.28368	0.2
57.07076	0.4
66.12869	0.2
69.24437	1.3
98.22700	0.5
99.11826	0.3
117.32509	0.2
128.43979	0.3
174.59526	0.3
181.25961	0.3
203.40067	0.3
222.42146	0.2
229.22014	0.3
318.50540	0.3
362.82175	0.3
515.29803	100.0
516.30096	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	515.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64340	0.4
71.44202	0.3
78.90029	0.4
79.96925	0.3
81.07043	0.3
85.15441	0.3
86.09708	1.2
116.07083	0.4
134.08144	0.4
164.99043	0.3
185.04247	0.3
200.79794	0.3
213.19789	0.3
219.59634	0.3
257.26651	0.4
307.09647	0.3
418.12897	0.4
515.31909	100.0
516.32288	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.8
64.26935	0.4
65.74343	0.4
69.07080	0.5
69.30811	1.1
69.31217	2.0
81.07072	0.5
95.08627	0.5
97.15760	0.4
97.20557	0.4
97.70308	0.4
104.95194	0.5
126.37045	0.5
138.46477	0.5
138.79533	0.5
155.86478	0.5
185.04225	0.7
203.05354	0.8
218.13387	0.5
219.36385	0.5
229.98250	0.5
259.07977	0.5
514.50928	0.7
515.31915	100.0
516.32098	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	1.0
51.46788	1.0
53.03948	3.1
55.01883	1.6
55.05516	18.1
57.03442	5.6
57.07066	4.8
57.61773	0.9
61.02929	2.6
65.03943	3.6
67.05505	85.1
69.03438	3.3
69.07071	16.5
71.05007	2.5
71.08635	2.1
75.04475	1.4
77.03942	2.6
79.05492	61.7
81.03429	2.6
81.07056	100.0
83.04972	1.8
83.08624	9.8
85.02897	3.4
85.06542	2.6
91.03976	1.3
91.05479	28.8
93.07044	75.1
95.04970	7.0
95.08607	73.0
97.02907	1.5
97.06531	4.5
97.10165	4.3
99.08118	2.7
105.04550	2.1
105.07027	28.1
107.04991	1.1
107.08591	45.7
109.06525	3.4
109.10159	37.3
110.51577	0.9
111.08089	2.8
113.09664	1.7
115.05466	1.4
117.07013	13.6
119.08585	20.9
121.06512	2.3
121.09270	2.1
121.10146	44.0
123.08082	3.9
123.11707	19.0
123.12521	1.8
125.09618	2.9
129.07027	2.0
131.08566	26.2
133.10121	17.1
135.08093	2.6
135.11699	35.1
137.09604	2.8
137.13239	6.6
139.11206	2.7
143.08591	2.5
145.10126	18.4
147.08083	1.4
147.11687	14.3
149.09665	1.5
149.13263	24.3
151.11180	2.5
151.14825	3.6
153.12755	1.5
157.10056	1.8
159.11691	18.5
161.13263	14.5
163.11256	1.1
163.14809	17.5
165.12791	2.7
165.76608	0.9
167.14346	1.1
171.11693	1.6
172.95316	1.1
173.13258	21.1
175.14832	4.5
176.10652	0.9
177.12805	1.8
177.16367	6.4
179.14333	2.0
187.14775	12.1
189.16472	1.6
191.14374	1.6
199.14816	1.2
201.16458	2.8
205.15926	2.6
215.18059	1.5
219.17441	2.3
233.22678	4.9
243.21077	31.5
243.23450	2.0
246.24495	1.0
260.16534	1.6
261.22134	99.4
262.22418	1.5
263.23547	1.8
277.21683	1.1
278.17496	1.2
279.23279	1.8
302.09137	1.0
303.23297	2.0
335.25830	13.9
353.26849	18.3
369.24274	1.5
405.26471	1.7
431.65567	1.1
461.28848	1.3
479.29819	1.4
497.31210	1.7
516.25684	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
54.69508	3.5
55.05508	19.1
56.53060	3.4
57.03424	10.0
57.07067	4.4
57.51581	3.5
60.95539	2.9
61.02929	5.2
65.03960	3.6
67.05160	6.1
67.05506	100.0
68.52165	3.1
69.03426	7.4
69.07080	18.2
69.98494	5.0
69.98817	5.9
79.05492	53.2
81.03421	13.0
81.07057	99.4
83.04981	5.2
83.08620	15.0
85.02887	7.4
85.06546	4.4
91.05463	32.3
93.07044	68.5
95.04974	9.4
95.08608	78.3
97.02924	4.8
97.06523	4.0
97.10182	5.5
99.08101	3.3
105.07037	31.4
107.08592	41.8
109.06516	7.6
109.10178	45.0
109.32025	3.2
111.08084	5.3
117.06987	14.8
119.08582	22.0
121.06510	4.8
121.10131	37.5
123.11705	21.6
125.09660	4.3
129.06943	3.7
131.08577	31.1
133.10126	19.7
135.11691	27.1
137.09630	5.8
137.13271	11.2
143.08517	3.1
145.10149	17.0
147.08049	3.6
147.11662	15.1
149.09544	3.5
149.13251	27.7
157.10107	5.1
159.11691	19.6
161.13235	9.8
163.14824	14.6
173.13266	18.0
175.14821	5.7
179.14333	3.9
187.14806	17.0
193.12224	4.2
204.13821	6.8
216.06299	3.4
219.11108	4.1
243.21080	33.1
260.16467	6.5
261.22156	80.1
262.22314	4.2
286.17413	5.4
335.25778	27.9
345.24246	4.3
353.26923	21.8
369.24081	5.5
371.28131	3.3
384.59167	3.3
419.28320	7.8
461.29059	4.3
480.30188	9.6
485.94931	3.6
497.30768	6.3
515.26263	31.2
515.33453	5.5
516.26007	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05511	15.8
57.03424	7.3
57.07061	2.9
58.06367	1.5
61.02926	4.9
62.93607	1.7
65.03925	4.0
67.05504	90.7
69.03417	3.1
69.07063	14.7
69.35136	2.0
69.94652	3.2
69.94966	1.8
71.04988	3.7
75.04481	2.8
77.03935	2.0
79.05489	55.8
81.07056	100.0
83.04980	2.6
83.08618	8.9
85.02877	5.0
85.06533	5.1
91.03967	3.5
91.05482	29.6
93.07046	68.2
95.04969	6.3
95.08604	76.2
97.02899	3.7
97.06545	5.6
97.10160	4.9
99.08105	4.1
105.04548	4.5
105.07034	24.2
107.08591	37.9
109.06465	3.2
109.10159	39.7
111.08067	2.8
117.07008	11.8
119.08580	25.0
121.10146	39.4
123.08039	2.7
123.11700	18.7
125.09629	2.6
131.08588	21.6
133.10110	14.5
135.11687	28.8
136.37468	1.7
137.09618	3.5
137.13277	5.1
139.11208	1.9
143.08560	2.9
145.10121	20.7
147.11694	14.3
149.13245	18.9
151.11176	3.0
151.14854	2.5
152.02396	1.7
157.10144	1.7
157.44661	2.1
157.64865	1.9
159.08116	1.9
159.11703	16.3
161.13271	14.9
163.14777	15.4
165.12726	3.3
173.13257	17.9
175.14783	3.7
177.16432	5.3
179.14360	2.4
187.14789	9.5
189.16273	2.1
191.14259	2.7
201.16350	3.9
205.15862	2.6
233.22643	4.5
243.21062	28.7
261.22141	85.3
262.22644	2.9
279.23218	4.3
317.24957	2.3
335.25757	25.2
353.26834	17.9
497.31100	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	515.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
57.03434	4.5
57.07078	100.0
58.07404	1.4
59.04991	1.1
67.05506	16.6
67.56992	0.8
69.07071	21.2
69.20452	3.8
71.05006	1.6
79.05490	6.3
80.41382	0.9
81.07063	5.2
83.08626	5.6
85.06534	1.8
89.06010	1.7
90.18555	0.8
91.05460	1.1
93.07055	11.4
95.04970	0.9
95.08625	3.0
97.06535	6.8
98.97784	0.8
100.95786	0.8
107.08601	7.8
109.10152	13.6
111.08074	2.4
121.07606	0.8
127.11193	32.6
135.11696	11.8
145.12244	1.7
153.12773	5.4
160.69208	0.9
188.14310	0.9
201.14882	14.1
227.16373	5.3
253.34375	1.0
258.49432	1.0
317.35883	1.1
327.25290	52.0
328.25616	1.9
330.14053	0.8
353.26852	51.0
354.27255	1.1
371.27899	14.1
462.77908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91558	1.5
53.71545	1.4
55.01873	2.9
55.05247	3.2
55.05510	31.3
57.03442	4.3
57.07077	100.0
59.05017	1.6
60.63885	1.4
62.84245	1.4
67.05502	23.2
69.07058	8.8
69.17056	7.5
71.08632	27.6
79.05495	10.2
81.07060	28.1
83.04993	3.7
83.08623	11.8
85.10172	15.9
95.08609	22.4
96.89461	1.5
97.10168	26.7
103.07600	1.8
107.08596	8.3
109.10145	7.7
125.09639	17.5
127.11200	30.2
127.12071	2.1
137.13274	2.2
143.10699	4.9
145.12312	2.5
155.14345	12.3
199.13229	10.8
201.14877	19.7
212.43370	1.9
229.17993	21.1
278.72705	1.5
284.26736	2.5
325.23752	30.9
327.25330	6.9
343.24817	13.3
353.26871	31.9
355.28430	90.4
356.28983	2.2
371.28113	3.6
461.80411	1.9
497.38480	3.8
515.51447	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	515.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70699	1.2
53.03931	2.8
55.01870	3.5
55.05511	64.9
57.03439	42.8
57.07077	71.5
59.04981	2.0
65.03944	2.2
65.81351	1.3
67.05504	74.7
69.03423	1.5
69.07069	92.5
69.71289	5.0
70.91700	1.3
71.04984	3.8
71.08632	43.5
73.06538	2.7
75.04495	10.9
79.05491	29.4
81.07056	96.5
83.04978	6.1
83.08621	73.9
85.06538	4.2
85.10178	23.1
91.05467	6.7
93.07047	38.5
95.04973	1.6
95.08608	100.0
97.06536	19.8
97.10168	51.1
97.10817	1.7
99.08101	3.8
99.11716	3.2
101.06036	2.2
105.04554	1.6
105.07034	4.6
106.07881	1.3
107.08602	29.8
109.10156	47.9
111.08080	11.9
111.11715	16.6
113.05997	3.6
115.07565	4.1
119.08594	2.2
121.10147	36.4
123.11702	19.7
125.09620	9.0
125.13278	3.3
126.19104	1.2
129.09140	2.0
131.07047	7.5
131.26993	1.3
133.10136	4.8
135.11693	32.5
137.13263	5.9
139.11182	12.1
141.12755	1.5
143.10640	2.2
149.13254	15.8
151.14807	2.1
153.12749	8.0
157.12262	2.8
163.14835	9.4
167.14354	4.5
171.13783	2.1
177.16310	6.3
181.15813	2.6
185.15390	2.8
191.17979	5.6
195.17506	2.9
199.16974	2.0
205.19507	3.0
209.19011	4.1
219.21286	1.9
223.20607	3.3
227.20030	2.7
233.22533	1.6
235.20653	1.8
237.22220	2.8
249.22296	2.1
255.23355	1.9
265.25299	1.4
281.25201	1.3
303.30405	7.2
313.28806	2.4
321.31512	18.4
323.99857	1.3
331.29913	12.5
349.31012	39.8
367.32288	3.7
385.33124	99.1
386.33627	1.6
423.34680	56.4
424.35486	1.6
441.35739	84.8
442.36008	3.1
480.08563	1.5
497.38364	39.7
498.38596	1.7
515.39453	88.0
516.39856	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	516.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01871	1.6
57.03433	4.9
60.86323	0.9
61.02924	8.2
63.87811	0.9
68.59210	0.7
69.03429	27.1
69.74621	3.1
71.04982	3.0
72.74570	0.8
73.02908	7.8
81.03412	16.8
83.05022	0.9
85.02902	87.9
87.04469	22.5
91.03959	5.9
97.02890	32.2
99.04459	7.4
99.66047	1.0
101.02373	1.0
103.03912	2.0
109.02878	14.5
115.03929	100.0
127.03912	48.2
127.04873	1.9
133.04965	44.6
135.04393	1.4
145.04955	56.8
157.04951	1.8
163.03905	6.1
163.06015	13.1
168.10263	0.9
175.06070	1.2
186.03053	0.9
187.06055	1.4
241.07051	6.7
259.08118	15.0
262.14371	1.5
277.09189	54.2
336.17957	3.5
354.18994	2.0
421.13364	1.2
516.21844	3.6
517.18445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70367	1.0
52.96996	0.8
53.03945	3.7
55.01862	3.9
57.03445	5.4
61.02928	7.0
61.03197	1.1
67.05527	1.5
69.03432	28.6
70.06586	1.6
71.04998	3.4
73.02911	6.7
79.05481	1.1
80.04971	1.1
81.03414	16.0
83.04999	1.4
84.08172	1.0
85.02908	96.4
86.09718	1.3
87.04474	24.9
87.05014	1.4
91.03969	5.1
95.04947	1.1
97.02898	36.1
99.04458	8.4
101.02448	0.9
103.03977	2.2
103.12466	0.9
105.07038	1.3
109.02876	14.0
115.03933	100.0
123.08163	1.0
126.68844	0.9
127.03920	48.9
133.04967	44.2
135.04398	1.0
140.42372	0.9
145.04961	55.4
157.05009	1.4
163.03946	5.5
163.06020	13.3
175.06114	1.6
181.07077	1.1
241.07106	6.6
250.90968	0.9
259.08112	17.2
262.14484	1.3
277.09198	50.9
336.18054	10.2
354.19070	7.6
421.13272	1.4
498.21194	1.2
516.22235	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	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01844	1.8
57.03389	2.6
61.02886	2.1
67.05460	1.9
69.03428	9.6
69.61166	2.6
69.95335	0.5
70.06539	1.9
70.44274	0.7
71.04978	1.2
73.02886	1.5
73.36250	0.6
79.05475	1.0
80.04970	1.6
81.03419	3.4
84.08100	2.5
85.02417	0.7
85.02896	11.4
87.04438	1.0
91.03920	1.0
91.05442	1.5
93.07036	0.8
94.06540	1.3
95.08580	1.4
96.08118	1.3
97.02885	6.4
97.06460	0.7
99.04391	1.8
108.08096	1.5
109.02829	1.7
112.08704	1.1
120.08013	1.4
122.09664	3.8
123.07983	1.0
124.07540	1.2
125.05972	1.3
127.03865	2.2
132.08043	1.8
134.09639	1.1
135.10364	1.6
136.11174	2.5
137.60213	0.7
139.98766	0.6
145.04953	0.7
146.09615	2.4
148.11209	0.7
150.09135	3.8
158.09615	0.8
160.11192	6.8
163.03891	3.3
164.10703	1.0
167.11005	0.8
168.10132	2.2
178.12222	2.0
180.10196	0.9
182.11778	8.0
188.14262	1.0
206.11780	1.2
206.15282	0.6
216.13814	2.4
222.14871	1.3
225.16994	1.2
234.14870	33.1
236.12750	1.4
242.44655	0.6
244.13248	1.7
250.35173	0.6
252.15952	23.5
262.14377	8.0
263.05991	1.5
266.17471	1.2
278.13925	5.6
280.15524	5.2
290.17487	2.7
292.15500	1.3
292.18954	1.6
308.15155	0.9
310.16605	1.4
315.51459	0.6
318.17093	4.5
336.18054	48.1
337.18317	1.6
354.19104	98.5
355.19409	2.0
395.68579	0.7
445.32596	0.7
516.24420	100.0
517.25092	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	516.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.96560	0.8
57.20781	0.3
63.26616	0.2
65.03919	0.4
69.03418	0.4
69.26915	0.5
69.27312	0.8
70.06577	0.9
79.05486	1.1
81.03419	0.3
81.07045	1.1
84.08134	0.6
85.02897	1.1
86.09685	0.3
91.05487	6.6
93.07042	0.5
95.04974	0.4
95.88499	0.3
97.02847	0.6
98.23455	0.4
98.97581	2.2
99.04448	0.5
103.03944	0.9
103.05466	0.4
105.07024	3.1
107.04975	0.3
108.69302	0.2
109.02882	0.3
115.05437	0.6
116.98636	1.3
117.07037	2.4
119.04173	0.5
119.04948	6.0
119.08571	1.3
121.06501	4.4
127.00689	0.9
127.03924	1.3
129.06993	1.2
131.08574	0.8
133.06490	21.3
133.10083	0.5
134.06834	0.4
134.99667	0.4
136.11180	0.3
137.05977	3.1
141.07057	0.3
142.07751	2.2
145.01634	0.3
145.04955	0.8
145.06508	0.3
145.10100	0.3
147.08089	0.6
147.11676	0.9
151.07597	0.3
157.10126	15.5
159.11684	0.4
160.08879	0.7
163.05994	0.8
167.06992	0.5
175.11183	100.0
176.11549	2.2
181.04968	1.1
209.01161	0.6
214.01564	0.4
220.13373	0.5
227.02249	1.4
233.15390	0.3
252.02982	0.3
264.03113	0.3
269.39224	0.3
275.05908	0.3
282.04175	0.4
289.09146	0.3
293.06937	0.6
307.09906	0.5
311.08054	0.3
409.05814	0.3
430.09164	0.3
445.12027	0.4
457.11432	0.6
460.10181	0.7
475.12778	2.0
516.19080	0.4
516.26868	0.6
517.13788	4.3
535.14661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72203	0.1
53.03943	0.2
55.01854	0.3
55.05510	0.7
56.05011	0.2
57.03432	0.1
57.07076	1.1
59.04992	0.1
67.05157	0.1
67.05496	1.3
67.59711	0.1
68.05020	0.4
69.03426	3.1
69.07063	0.8
69.53304	0.3
70.06572	0.2
70.22956	0.1
71.04964	0.2
75.52951	0.1
77.03908	0.2
79.05487	1.0
80.05013	0.8
81.03419	0.5
81.07054	1.0
82.06570	0.4
83.01334	0.9
83.04977	1.8
83.07361	1.0
83.08608	0.2
84.08121	0.2
85.06523	0.2
86.06071	0.6
86.09679	0.1
87.04458	0.1
91.04939	0.1
91.05476	1.9
93.07044	1.5
94.06569	0.8
95.04965	1.1
95.07327	0.1
95.08608	0.6
96.04471	0.1
96.08123	1.4
97.02892	0.1
97.06530	0.5
97.08874	0.1
98.06055	0.7
98.09674	0.1
99.04459	0.5
103.05465	0.5
105.04504	0.1
105.05785	0.1
105.07024	1.5
106.06547	1.8
107.04944	0.4
107.07362	0.1
107.08574	0.6
108.08121	0.9
109.02814	0.1
109.06510	0.4
109.08909	0.1
109.10123	0.3
110.09670	0.2
111.04440	0.6
111.08073	1.5
112.03905	0.1
112.07595	0.2
112.11255	0.1
113.05979	0.2
114.05562	0.1
115.05437	0.3
117.05733	0.1
117.07014	0.8
118.06537	0.8
118.07805	0.1
119.04928	0.3
119.07325	1.0
119.08578	1.4
120.08098	6.5
121.06500	2.7
121.08895	0.4
121.10133	0.3
122.06020	0.2
122.09670	0.9
123.04422	0.2
123.08062	0.5
123.10493	0.1
124.11233	1.1
125.05991	0.2
126.09122	0.1
126.12769	0.6
127.03887	0.6
128.06189	0.1
130.06511	0.5
130.07550	0.1
131.04916	0.2
131.07300	0.2
131.08549	0.9
132.05714	0.1
132.08063	0.9
133.05211	0.7
133.06467	0.7
133.08865	0.4
133.10097	0.5
134.05994	0.4
134.09644	1.0
135.08049	0.9
135.11632	0.1
136.05171	0.1
136.07550	0.2
136.11209	1.0
137.05945	0.2
137.09596	1.0
138.06725	0.2
138.09126	0.2
138.12778	1.3
139.03897	0.8
139.07547	0.6
140.07079	0.2
141.05391	0.1
141.06985	0.1
142.07742	0.1
143.07333	0.2
143.08546	0.3
144.05704	0.1
144.08078	0.8
144.09157	0.1
145.06474	0.4
145.08928	0.2
145.10104	0.6
146.06000	0.3
146.07185	0.1
146.09636	1.2
146.10695	0.1
147.04358	0.2
147.06783	0.6
147.08023	2.2
147.10399	0.3
147.11679	0.4
148.07565	3.1
148.08736	0.2
148.11205	0.9
149.05975	1.1
149.07207	0.1
149.08328	0.5
149.09598	0.7
149.11987	0.1
150.06720	0.1
150.09152	0.4
150.12863	0.2
151.03871	0.3
151.07552	0.4
152.10706	0.5
153.05452	0.2
153.09076	0.3
154.12267	1.2
155.03416	0.7
155.07071	0.2
155.08524	0.1
156.08070	0.1
157.08885	0.2
157.10124	0.2
158.07336	0.1
158.09637	0.7
159.06848	0.1
159.08038	0.8
159.10408	0.1
159.11674	0.2
160.07558	0.4
160.11186	1.0
161.05952	0.3
161.08337	0.5
161.09625	0.4
161.11978	0.4
161.13280	0.3
162.06874	0.2
162.09140	4.9
162.12772	11.9
163.07558	0.7
163.09778	0.1
163.11159	0.1
163.13420	0.2
164.04654	0.1
164.07001	0.1
164.10709	0.1
164.14343	2.8
165.05460	0.4
165.09105	0.5
165.12732	0.1
166.06279	0.3
167.02029	0.1
167.03400	1.3
167.07043	0.2
167.10658	0.1
170.09590	0.1
170.11790	0.4
171.10411	0.2
172.11189	0.3
173.05899	0.1
173.09592	0.4
173.11961	0.2
174.09137	0.4
174.12766	0.9
175.03883	0.1
175.07587	0.4
175.09898	0.5
175.11194	0.2
175.13487	0.1
175.14868	0.2
176.08266	0.2
176.10707	1.1
176.14326	2.2
177.05441	0.2
177.09093	0.3
177.12704	0.6
177.16335	0.1
178.08623	0.3
178.12119	0.1
178.15863	0.2
179.07028	0.8
180.10213	0.1
180.13750	0.1
181.08617	0.7
181.10088	0.1
182.11803	0.1
185.13293	0.1
186.09143	0.3
186.12766	1.4
187.07573	0.1
187.11185	0.1
187.13368	0.1
187.14827	0.3
188.07002	0.1
188.10692	1.3
188.14291	0.3
189.05463	0.1
189.09134	0.2
189.11307	0.2
189.12831	0.1
189.14891	0.1
190.12267	2.4
190.15889	0.5
191.07019	0.2
191.10582	0.1
191.12996	0.3
192.10262	0.1
192.13803	0.1
193.04912	0.1
193.08577	0.5
193.10994	0.2
194.05634	0.1
194.09186	0.1
194.11720	0.3
194.15392	0.1
195.06509	0.1
195.10162	0.2
196.13168	0.1
198.09036	0.1
200.10686	0.2
200.14290	0.2
201.12816	0.1
202.08614	0.1
202.12233	0.8
202.15932	0.2
203.09323	0.9
203.14359	0.9
204.10475	2.1
204.13824	28.7
204.17212	2.2
205.08620	0.1
205.12198	0.2
205.14191	0.6
205.15872	1.1
206.11748	0.2
206.15594	0.1
206.19025	0.2
207.06497	0.6
208.13269	0.4
209.08084	0.1
211.09534	0.1
213.09135	0.1
214.15897	1.2
215.10693	0.2
215.14319	0.7
215.16302	0.1
216.10150	0.2
216.17403	0.3
217.08595	0.1
218.11771	2.4
218.15321	1.3
220.13327	0.1
221.08064	0.4
222.14888	0.2
222.18697	0.1
223.09537	0.1
225.09093	0.1
230.15366	0.3
231.10080	0.1
231.13811	0.7
232.16946	11.7
233.15323	0.7
233.17422	0.4
235.06033	0.1
235.09711	0.1
237.07378	0.3
239.09100	1.9
240.13824	0.1
242.15370	1.3
245.08134	0.1
245.11758	0.1
248.16391	0.2
249.14914	0.1
250.18018	3.7
251.09041	0.2
251.18234	0.1
258.14853	0.6
260.16437	24.7
261.16794	0.6
265.07056	11.8
265.10458	0.5
266.07358	0.2
277.10611	0.1
278.17493	13.1
279.17868	0.3
283.08176	0.3
285.11136	0.1
291.12283	0.3
307.11823	0.2
335.11249	1.8
375.56299	0.1
398.04688	0.1
418.22165	1.0
480.23898	0.2
481.22382	0.2
495.69269	0.1
498.24835	1.3
516.25873	100.0
517.26245	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	516.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
55.05519	0.7
57.07072	0.9
65.14947	0.4
67.05504	1.3
68.05027	0.6
69.03435	4.1
69.07075	0.7
69.14644	0.4
73.83250	0.3
73.90065	0.3
79.05494	1.5
80.05025	0.8
81.03407	0.4
81.07053	1.0
82.06579	0.4
83.01342	1.0
83.04972	1.6
83.07346	1.0
86.06084	0.5
91.05466	1.8
93.07042	1.5
94.06573	1.3
95.04970	1.1
95.08601	0.8
96.08141	1.5
98.06073	0.8
98.09720	0.4
105.05782	0.4
105.07053	2.0
106.06577	1.9
107.08609	0.5
108.08143	0.8
109.10143	0.4
111.04533	0.4
111.08105	1.4
117.07057	0.9
118.06577	0.7
119.07318	1.1
119.08580	1.4
120.08109	6.7
121.06499	2.8
122.09650	1.0
123.08032	0.5
124.11237	1.2
125.05988	0.5
126.12750	0.6
127.03915	0.9
130.06557	0.7
131.08533	0.8
132.08127	0.9
133.05276	0.9
133.06503	1.1
133.08911	0.4
133.10095	0.4
134.09654	1.0
135.08084	1.4
136.11238	1.2
137.09607	1.0
138.12794	1.6
139.03899	1.0
139.07564	0.6
144.08063	1.1
145.06496	0.7
145.10121	0.5
146.09633	1.1
147.06880	0.9
147.08060	2.4
147.10367	0.5
147.11534	0.4
148.07573	3.0
148.11169	0.6
149.06012	1.1
149.08386	0.6
149.09599	0.5
150.09171	0.6
152.10753	1.0
154.12263	0.9
155.03403	0.7
158.09657	1.0
159.08099	0.6
160.07607	0.4
160.11230	0.9
161.08331	0.6
161.09644	0.4
162.09158	5.7
162.10452	0.7
162.12784	12.9
163.07513	0.9
164.14336	2.7
167.03415	1.2
172.11189	0.5
174.09082	0.5
174.12811	1.0
175.07617	0.5
175.09912	0.7
176.10860	0.6
176.14377	2.7
177.05505	0.5
177.12779	1.0
178.08629	0.4
179.07097	0.9
181.08569	1.0
186.12814	1.5
187.13168	0.4
188.10725	1.6
188.14351	0.5
190.12312	2.7
190.15953	0.6
190.72739	0.3
193.08685	0.6
195.10104	0.5
200.10791	0.5
202.12346	1.1
202.16025	0.4
203.09451	1.1
203.14336	1.0
204.10225	1.8
204.13843	31.5
204.17552	2.1
205.14221	1.0
205.15936	1.7
207.06621	0.8
214.15839	1.8
215.14301	0.7
216.10162	0.4
216.17458	0.4
218.11736	3.9
218.15393	1.3
230.15515	0.6
231.13896	1.2
232.16957	13.2
233.15314	0.7
239.09200	2.1
242.15446	1.2
248.16490	0.4
250.18060	4.2
258.14783	0.9
260.16461	29.9
261.16824	0.5
265.07095	12.0
265.10498	0.7
278.17511	15.0
335.11304	3.1
378.73846	0.4
418.22400	1.2
480.24161	0.4
498.24942	0.9
516.25940	100.0
517.26196	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	516.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.02687	0.3
56.08672	0.2
57.05466	0.3
57.07070	0.9
67.05497	1.0
68.05033	0.5
69.03432	3.1
69.07069	0.8
69.32582	0.8
69.32977	0.5
70.06596	0.4
74.52072	0.2
79.05496	0.4
80.05010	0.7
81.03395	0.3
81.07064	0.9
82.06606	0.5
83.01346	0.9
83.04985	1.2
83.07378	0.7
86.06067	0.4
90.81511	0.2
90.97508	0.3
91.05465	1.4
93.07030	1.1
94.06570	0.8
95.04962	0.9
95.08611	0.6
96.08121	1.1
97.02925	0.3
97.06481	0.3
98.06065	0.6
103.05475	0.3
105.07036	1.0
106.06521	1.3
107.04980	0.4
107.08633	0.6
108.08121	0.6
109.06530	0.4
111.08076	1.1
115.05492	0.5
117.07030	0.5
118.06537	0.7
119.07333	1.1
119.08594	1.2
120.08105	6.1
121.06509	2.7
122.09689	0.9
123.08097	0.3
124.11246	0.8
126.12731	0.4
127.03913	0.4
130.06531	0.6
131.08568	0.7
132.08087	0.4
133.05212	0.6
133.06471	0.6
133.10123	0.7
134.09662	1.1
135.08063	1.0
136.11235	0.9
137.05978	0.2
137.09622	0.7
138.12759	1.1
139.03885	1.0
139.07549	0.7
144.08101	0.7
145.06497	0.3
145.10081	0.6
146.09660	1.3
147.04390	0.4
147.06931	0.4
147.08049	1.9
147.10468	0.4
147.11708	0.4
148.07579	2.5
148.11223	0.7
149.06012	1.4
149.09569	0.6
150.09171	0.4
151.07623	0.5
152.10712	0.5
153.09067	0.3
154.12277	1.0
155.03479	0.4
159.08075	0.8
160.11226	0.8
161.08299	0.4
161.12036	0.4
162.09148	3.9
162.12772	9.1
162.14098	0.5
163.07579	0.8
164.14343	2.4
165.05469	0.5
165.09204	0.6
167.03430	1.1
172.11205	0.4
173.09650	0.5
174.09186	0.4
174.12816	0.9
175.07552	0.5
175.14934	0.5
176.08475	0.3
176.10719	0.8
176.14333	2.0
177.12683	0.4
179.07021	0.6
181.08641	0.6
184.86241	0.3
186.12794	1.2
187.14926	0.4
188.10719	1.1
189.09119	0.3
190.12282	2.3
190.15945	0.5
193.08600	0.6
193.10983	0.4
194.11801	0.3
201.75575	0.3
202.12267	0.8
203.09344	1.3
203.14374	1.0
204.10167	1.5
204.13837	27.3
204.17522	2.0
205.12302	0.5
205.14139	0.6
205.15909	1.0
207.06575	0.7
208.13367	0.5
214.15910	1.1
215.14410	0.5
218.11748	2.4
218.15408	1.2
221.08130	0.4
231.13831	0.9
232.16956	10.5
233.15361	0.8
233.17442	0.4
239.09152	1.9
242.15382	1.0
250.17993	4.1
251.09102	0.6
258.14825	0.6
260.16458	22.6
261.16858	0.6
265.07062	10.6
278.17499	12.3
283.08148	0.4
335.11298	1.9
398.15894	0.3
418.22336	0.9
451.27429	0.3
498.24841	1.0
516.25922	100.0
517.26349	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	516.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01874	0.7
55.05505	0.8
57.03434	0.9
57.07070	0.5
65.03930	0.4
67.05500	1.4
68.05019	2.0
69.03426	6.7
69.07054	0.5
71.04995	1.5
71.08631	1.9
71.45634	0.5
79.05502	4.7
80.02254	0.5
80.05028	1.1
81.03419	57.8
81.07057	14.4
82.03747	0.4
82.06577	0.7
83.01347	6.7
83.04983	9.5
86.06089	1.9
87.04418	0.4
91.05483	3.8
93.07036	1.3
94.02928	1.4
94.06557	0.7
95.04964	2.6
95.08624	1.2
96.08109	0.7
99.04453	4.8
99.08105	1.4
103.05479	1.1
105.07035	2.3
106.06529	1.8
107.04958	1.6
107.08588	0.9
108.04498	1.6
108.05728	0.6
109.06522	18.9
111.04451	3.7
111.08057	1.1
113.05993	1.2
114.12816	1.6
115.05418	0.7
117.05760	0.4
117.07027	1.0
118.06533	0.7
119.04947	1.3
120.05728	0.7
120.08099	1.5
121.06510	3.3
122.06016	0.7
122.09685	0.4
123.04418	1.4
123.08069	2.2
124.04007	0.6
124.07578	0.9
124.11230	7.7
125.05996	1.4
127.03917	4.2
130.06552	2.1
131.04944	0.4
131.07294	1.2
131.08548	0.5
132.08101	1.1
133.06477	1.0
133.10126	0.5
134.05992	1.2
135.04430	0.5
135.08052	2.0
136.05180	0.7
136.07587	0.5
137.05965	6.3
138.06743	2.1
138.12823	0.4
139.03888	5.5
139.07542	0.9
141.07001	0.4
142.07846	0.6
142.12276	26.7
143.07298	7.2
143.08455	0.6
144.08087	5.3
145.06499	0.8
145.10136	0.4
146.06001	0.7
147.04413	0.9
147.08066	0.7
148.07585	1.7
149.05977	7.3
150.06779	0.6
151.03888	2.4
151.07523	3.3
152.08278	0.5
153.05444	0.8
153.09135	2.3
155.03389	4.8
155.07016	1.0
156.08124	0.5
157.05028	0.7
157.08885	0.9
158.09666	1.4
159.08098	0.8
160.07693	0.5
161.06030	1.2
161.08391	2.0
161.09589	0.6
162.06747	0.7
162.09123	0.8
162.12770	2.6
163.07559	3.0
164.04651	0.7
164.07056	1.4
165.05508	2.2
165.09135	1.1
166.06290	2.9
167.03394	10.5
167.07036	0.5
169.05008	0.5
170.11723	0.6
172.08952	0.5
173.09697	0.5
174.10399	0.5
175.03949	0.7
177.05453	1.6
177.09106	1.2
178.06242	0.7
178.12347	0.5
179.07031	5.0
180.13792	1.1
181.08601	4.2
182.15393	0.6
184.07608	0.6
186.09180	0.7
186.12766	15.8
187.07608	1.2
189.05450	1.3
189.09100	0.5
190.12381	0.5
191.07074	1.0
191.10666	0.5
192.07832	0.5
192.13834	0.8
193.08597	3.5
194.05783	0.7
195.10167	1.1
201.09174	0.5
202.10075	0.7
202.12033	0.4
203.10724	0.5
204.13826	7.9
205.08606	0.9
206.05809	0.4
206.11758	6.0
207.06497	3.7
209.08031	0.9
212.14403	0.6
214.15901	4.6
215.10838	0.4
219.06601	0.9
219.10144	1.0
221.08064	1.8
222.14896	25.8
223.15221	0.6
229.08615	0.5
231.10152	0.4
232.16966	3.7
235.06010	0.5
237.07607	1.3
239.09129	18.5
240.09436	0.6
242.15398	15.2
247.09627	0.7
248.10446	1.2
248.16597	1.3
250.18019	3.6
259.09409	0.5
260.16406	5.6
261.11328	1.2
265.07074	62.2
266.07306	1.1
275.12842	1.5
276.16019	1.1
278.17508	18.2
280.13144	0.6
283.08139	6.9
291.12241	3.3
293.10297	1.0
297.11252	0.4
308.16351	0.4
315.12241	0.9
319.11639	0.8
324.19525	1.9
329.13800	0.7
335.11343	0.7
343.11810	0.5
347.14816	1.2
348.34091	0.4
357.13315	1.2
373.12985	0.5
375.14407	12.8
404.22083	0.6
440.50507	0.5
462.22937	0.7
470.25177	2.1
480.23828	8.9
498.24869	10.9
516.25934	100.0
517.26178	3.8
534.00305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01874	0.9
55.05498	0.8
57.03430	1.0
65.03931	0.8
68.05032	2.1
69.03428	7.4
69.16154	4.4
71.05005	1.5
71.08622	2.9
77.03922	0.8
79.05477	4.6
80.05005	0.9
81.03416	60.6
81.07053	14.2
82.06550	0.9
83.01343	6.5
83.04977	9.8
86.06065	1.3
91.05474	3.5
93.07041	2.1
94.02927	2.6
94.06551	1.2
95.04940	1.6
96.04437	0.8
98.23444	1.1
99.04447	4.2
99.08093	1.7
103.05464	1.8
105.07034	2.2
106.06545	1.8
107.04985	1.1
108.04497	1.6
109.06513	20.2
111.04433	3.8
113.06001	1.7
114.12793	2.0
118.06573	0.9
119.04939	1.6
120.05742	1.1
120.08116	0.9
121.06471	4.3
123.04440	1.0
123.08058	2.3
124.03918	0.9
124.11229	9.2
125.06008	1.1
127.03924	4.8
128.44426	0.8
130.06520	2.4
132.08044	1.4
133.06479	1.3
134.06041	1.0
135.08040	2.3
136.05179	1.1
137.05986	6.7
138.06789	2.8
139.03909	5.8
139.07542	1.4
142.12265	25.8
143.07304	8.4
143.08369	1.4
144.08113	4.9
146.05974	0.9
147.04413	1.4
147.06827	0.9
147.08049	0.7
148.05255	1.3
148.07576	1.9
149.05969	6.0
151.03932	2.4
151.07544	2.7
153.09146	2.0
155.03366	4.9
155.07068	0.8
155.08528	0.8
158.09673	2.7
159.08110	1.2
161.06035	1.3
161.08365	1.7
162.06709	0.7
162.09105	1.0
162.12794	1.3
163.07571	2.5
164.04706	1.2
164.07019	1.9
165.05458	2.1
165.09161	1.4
166.06288	2.6
166.12320	0.6
167.03416	8.6
170.11667	0.7
172.11255	0.8
176.14476	0.9
177.05414	1.5
177.09117	1.5
178.06169	0.8
179.07079	3.5
180.13895	2.1
181.08566	4.3
184.07469	1.0
186.09096	1.0
186.12772	18.1
189.05403	1.2
189.09210	0.7
191.06966	1.0
192.07877	0.7
192.13893	0.8
193.08629	4.3
195.10161	1.7
201.09131	1.0
203.10684	0.9
204.13840	6.1
205.08774	0.7
206.05731	0.8
206.11739	5.8
207.06503	3.9
211.29924	0.8
212.14345	1.1
214.15901	4.4
220.43332	0.8
221.08043	1.8
222.14880	22.2
231.10023	1.0
232.16930	3.5
237.07498	1.0
239.09108	23.0
242.15395	24.6
248.16425	1.0
250.04854	0.7
250.17932	4.1
260.16489	5.7
261.11362	2.0
265.07065	67.8
266.07239	1.5
268.62604	0.7
275.12866	1.7
276.16040	1.7
278.17505	22.5
278.20526	1.1
283.08243	3.7
291.12357	2.8
293.10077	1.1
307.11572	0.9
319.11752	1.9
324.19412	3.3
329.13724	1.1
347.15060	0.9
357.13379	2.2
374.03296	1.0
375.14340	13.5
404.22220	1.2
470.25266	2.7
480.23856	11.6
498.24890	10.8
516.25909	100.0
517.26270	3.3
535.19757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01867	0.7
55.05510	2.1
55.23918	0.4
56.05033	2.3
57.07079	1.0
58.02926	0.3
58.23571	0.3
63.34217	0.3
67.05508	2.8
68.05028	1.5
69.03436	1.3
69.07069	1.4
69.39202	1.6
70.02956	1.4
70.06596	1.1
70.35284	0.3
76.03110	0.3
79.05486	5.2
80.05016	1.2
81.03407	0.8
81.07056	3.6
82.06593	1.2
83.01350	1.5
83.04984	3.0
83.08652	0.5
84.04506	4.4
84.08134	0.5
85.06573	0.5
86.06052	0.5
86.09714	0.5
91.05476	2.6
93.07060	2.9
94.02926	0.4
94.06555	1.1
95.04968	1.8
95.08071	0.3
95.08601	2.0
96.04486	1.1
96.08121	0.9
97.06538	1.7
98.06068	0.6
98.09699	0.6
99.04465	0.4
100.11258	0.8
103.05477	0.4
105.07021	2.2
106.06558	0.7
107.04954	3.1
107.08605	3.5
108.08113	2.3
109.06509	2.3
109.10178	0.7
110.06084	0.9
110.09692	1.2
111.04450	1.0
111.08041	0.4
112.11251	2.6
113.05995	0.4
115.05473	0.4
116.10772	0.4
117.07021	1.7
118.06514	0.5
119.04916	0.4
119.08593	1.0
120.08121	1.4
121.06512	2.5
121.10168	1.1
122.09677	1.4
123.08080	1.4
124.11217	1.0
125.05975	0.5
126.09150	1.8
126.12828	0.9
127.03967	1.1
128.10715	0.9
131.08591	0.8
132.08121	0.8
133.06509	0.7
133.10165	0.4
134.09650	0.8
135.08057	4.9
136.11221	1.0
137.06004	0.9
137.09612	1.2
138.09155	0.8
138.12830	2.0
139.03909	1.8
139.07567	0.4
140.10704	6.8
142.12260	0.7
144.08125	0.5
145.08937	0.4
145.10103	0.5
146.09625	0.7
147.04385	0.5
147.08066	0.5
148.07605	1.2
148.11263	0.6
149.05954	1.9
149.09607	0.6
149.13271	0.9
150.06744	0.4
150.09166	0.5
150.12616	0.4
152.10706	0.9
153.09090	0.4
154.08633	1.6
154.12254	2.0
155.03374	0.7
159.08141	0.4
159.11699	0.5
161.06010	0.5
162.09128	0.8
162.12782	1.4
163.07549	2.1
165.09079	0.8
166.06294	0.7
166.08694	0.5
166.12334	2.6
167.03340	2.0
168.73407	0.4
170.11707	0.4
173.09698	0.6
173.13235	0.5
176.10747	1.1
176.14381	1.5
177.05486	0.5
177.09052	0.6
177.12782	0.7
179.07031	1.0
181.08580	1.1
182.15463	0.5
186.12746	0.9
190.12421	0.3
190.15814	0.5
191.14336	1.0
193.08611	0.7
193.12202	0.5
194.11760	0.9
195.10144	0.4
204.13864	4.6
204.17474	1.9
205.08495	0.4
206.11710	0.4
207.06529	1.0
208.13399	0.5
214.15916	0.8
218.11880	0.5
218.15443	0.6
219.13574	0.4
221.08171	1.0
222.14888	1.7
229.12248	0.4
232.16933	5.0
234.18544	0.7
237.07455	0.8
239.09161	4.3
242.15385	0.7
250.18036	10.6
260.16449	3.4
265.07071	17.9
265.10043	0.6
277.10748	0.6
278.17514	16.6
283.08127	1.0
357.13507	0.4
359.56726	0.4
470.25241	1.4
498.24872	11.1
498.31897	0.7
499.24899	0.4
516.25916	100.0
517.26166	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	516.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01867	1.2
55.05506	1.1
57.03428	1.2
60.34628	0.4
61.02934	0.6
63.12204	0.4
67.05507	1.7
68.05077	0.4
69.03428	6.4
69.07064	1.4
70.06595	2.4
70.76294	0.5
71.04995	3.5
72.78276	0.4
73.02924	0.7
79.05480	0.9
80.05024	1.6
81.03418	1.8
81.07035	1.0
83.01330	0.5
83.04976	1.0
83.08633	2.4
84.08149	4.3
85.02902	9.7
86.09694	0.7
87.04456	2.6
91.05474	2.6
93.07038	1.3
94.06571	1.5
95.04971	0.9
95.08582	2.0
96.08147	2.0
97.02457	0.4
97.02915	4.9
99.04453	2.1
105.01839	0.6
105.07058	1.5
106.06581	0.4
107.04951	1.2
108.05745	0.7
108.08133	1.0
109.02866	2.3
109.06520	0.6
109.08923	0.5
110.09671	0.7
111.04413	1.0
111.08089	2.3
112.36662	0.5
113.06025	0.8
115.03940	7.7
116.85429	0.4
117.07085	0.6
119.04967	1.1
119.08574	0.8
120.08155	1.1
121.06535	1.5
122.09663	2.8
123.08092	1.6
124.11259	1.3
125.05998	0.5
125.09624	0.7
127.03933	5.7
128.06192	0.4
131.08560	0.7
132.08119	0.5
133.04994	2.7
133.06487	0.9
133.10158	0.8
134.09650	2.6
135.08031	0.9
136.05150	0.5
136.11234	3.9
137.05954	2.8
137.09616	0.4
139.03966	0.6
139.07539	1.0
144.08049	0.4
145.04961	5.1
145.10146	0.6
146.07329	0.5
146.09697	1.0
147.08034	0.5
148.11142	0.8
149.06026	0.7
150.09134	2.8
151.07564	0.4
152.10707	2.1
154.12280	1.0
157.06461	0.5
157.15929	2.1
159.08098	1.3
160.11224	1.3
161.09676	1.6
162.09210	0.7
162.12814	2.0
163.03987	0.5
163.06026	0.6
163.07561	0.7
164.14355	22.4
165.14526	0.5
168.10199	1.3
177.05557	0.5
179.07060	1.3
180.10222	0.8
180.13841	0.7
181.08603	0.5
182.11772	19.6
184.07391	2.3
184.13353	1.7
187.07550	1.8
188.14340	0.4
189.05452	0.5
190.12212	0.8
191.07019	0.8
193.12273	0.5
194.11797	1.2
204.13884	0.8
205.08647	3.6
207.06526	1.7
208.13309	3.2
209.08003	0.6
215.10677	0.7
218.11829	0.5
219.10240	0.7
220.13370	0.7
221.08179	0.7
232.13348	1.6
233.11925	0.7
234.14833	2.7
235.06055	2.8
253.07034	5.8
259.08157	1.0
260.16461	2.3
262.18137	1.1
273.27066	0.4
276.15939	0.6
277.08929	0.8
278.17514	7.0
287.12784	0.5
299.99811	0.4
301.10657	0.5
347.14801	0.6
382.20401	0.5
400.21176	0.9
408.32645	0.5
418.22391	0.7
424.20935	0.4
442.22379	0.7
452.24493	0.5
463.15790	0.6
470.25931	0.4
472.27390	0.7
480.24225	0.9
498.25015	12.3
499.25171	0.4
516.25946	100.0
517.26563	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.05516	0.7
57.03431	0.7
67.05491	1.0
69.03429	5.0
70.06602	2.1
71.05000	3.4
79.05486	1.3
80.05019	1.9
81.03412	2.7
81.07072	0.9
82.06580	0.5
83.01342	0.7
83.04985	1.0
83.08603	1.3
84.08141	3.4
85.02908	7.3
87.04474	1.9
91.05485	2.2
93.07092	1.0
94.06575	1.5
95.04955	0.6
95.08609	2.0
96.08123	2.1
97.02895	2.7
97.06506	0.4
97.08910	0.5
99.04466	1.1
105.07026	2.1
106.06577	0.6
107.08594	0.7
108.05785	0.6
108.08140	0.6
109.02893	1.3
110.09686	0.9
111.04431	1.0
111.08092	2.2
113.06020	0.8
115.03941	6.6
119.04950	1.2
119.08559	1.0
120.08119	1.5
121.06571	0.7
122.09662	3.2
123.08040	2.0
124.11245	1.3
125.05977	0.6
127.03909	4.4
128.06178	0.5
131.08618	0.5
131.63129	0.5
133.04977	2.0
133.06480	0.5
134.09648	2.6
135.08067	0.8
135.10548	0.5
136.05247	0.7
136.11212	4.1
137.05995	1.3
139.03952	0.5
139.07565	0.8
141.07004	0.4
142.07759	0.6
145.04962	4.0
145.10155	0.5
146.09668	1.0
147.08049	0.8
148.11235	0.5
150.09183	2.0
151.07565	0.9
152.10709	2.3
154.12299	0.6
157.10088	0.4
157.15965	1.0
158.09688	0.5
159.08069	0.5
160.11221	0.8
161.09666	1.2
162.09203	1.1
162.12794	1.8
163.06110	0.5
163.07428	0.8
163.13440	0.5
164.12971	0.9
164.14359	18.7
168.10213	1.3
171.08131	0.6
173.09731	0.5
179.07053	1.4
182.11778	17.0
184.07394	1.0
184.13428	1.0
187.07626	1.7
190.12350	1.0
191.07085	1.0
193.12202	0.4
205.08606	3.0
207.06601	1.5
208.13339	4.8
209.08054	0.4
215.10762	0.5
218.11725	0.5
220.13347	0.5
232.13411	1.6
234.14839	2.9
235.06065	3.9
244.17130	0.4
248.16612	0.5
253.07111	5.8
255.16107	0.4
259.08188	1.3
260.16458	2.6
262.18021	1.1
273.99091	0.4
276.16003	0.8
277.09174	0.9
278.17538	6.4
348.23196	0.5
400.21054	0.8
418.22110	0.6
424.21219	0.8
472.27252	0.6
480.23904	1.3
498.24911	12.9
516.25940	100.0
517.26398	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	516.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05501	0.5
57.03421	0.8
61.18430	0.5
67.05499	1.3
69.03434	4.2
69.35755	1.9
70.06577	2.0
71.04986	2.7
73.02919	0.6
79.05489	1.2
80.05017	2.1
80.29018	0.4
81.03418	2.3
81.07114	0.5
82.06596	1.1
83.01350	0.9
83.04980	1.3
83.07341	2.3
84.08147	3.0
85.02911	5.4
86.09679	1.0
86.99339	0.5
87.04480	2.0
91.05490	1.8
93.07018	1.2
94.06579	1.9
95.04942	0.7
95.08596	1.2
96.08117	1.6
97.02899	2.5
97.06507	0.5
98.23533	0.8
99.04449	2.0
105.07041	1.2
105.26762	0.5
106.06570	0.7
108.08113	0.6
108.52806	0.5
109.02885	0.9
109.06511	0.5
111.04401	0.7
111.08086	0.9
115.03933	5.0
117.07021	0.5
119.04900	0.9
119.08568	0.9
120.08106	1.2
121.06512	1.1
122.09657	2.4
123.04454	0.5
123.08073	2.1
124.07613	0.7
124.11202	1.4
125.06036	0.7
125.09686	0.7
125.12025	0.8
126.12791	1.6
127.03918	5.3
127.25810	0.5
131.08546	0.7
132.08134	0.6
132.66737	0.5
133.04987	2.0
133.06509	0.5
134.09659	3.0
135.08083	1.2
136.05208	0.5
136.11232	3.4
137.02350	0.5
139.03821	0.6
139.07605	0.7
145.04977	3.6
145.06174	0.6
146.09636	0.6
148.07631	0.5
150.09148	2.0
151.07480	0.6
152.10707	1.9
154.12216	0.7
159.08069	0.5
160.11197	0.8
161.09637	1.5
162.09085	0.8
162.12794	1.3
163.03925	1.2
163.07564	1.1
164.14355	6.6
168.10237	1.0
170.11838	0.7
173.09618	0.9
174.12758	0.6
179.07060	1.6
180.10295	0.7
180.13870	0.9
182.11772	14.4
184.07358	1.0
184.13649	0.5
185.20709	0.5
187.07657	1.1
187.11229	0.6
189.09158	0.7
190.12306	1.2
191.07039	0.5
194.15395	1.9
204.11432	0.5
204.13821	0.8
205.08604	3.0
206.11766	0.5
207.06607	0.7
208.13364	5.1
220.13310	1.0
232.13402	1.5
234.14923	1.8
235.06084	2.6
245.61603	0.5
246.15047	0.6
250.17984	1.1
253.07057	5.6
259.08231	0.7
260.16522	2.2
262.18253	0.6
276.15891	0.8
277.09039	1.1
278.17493	6.5
374.19550	0.5
381.82669	0.5
400.21152	1.0
418.22467	0.9
480.23712	1.1
498.24887	11.0
516.25940	100.0
517.26239	4.0
526.60034	0.5
527.66943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01871	0.8
55.05508	0.6
67.05505	1.3
69.03432	1.9
70.06596	2.1
71.04623	0.4
71.04992	3.7
71.21967	0.2
72.03941	0.2
79.05502	1.4
80.05020	1.6
81.03417	0.7
81.07053	0.9
82.06591	0.6
83.01359	0.9
83.04979	0.9
83.07372	0.4
84.08150	4.1
85.02930	0.5
86.06058	0.2
91.05475	2.6
92.80423	0.2
93.07059	1.1
94.06573	1.5
95.04970	0.8
95.08612	1.8
96.08147	1.9
97.02893	0.4
97.06521	0.8
99.04448	1.0
103.05457	0.3
105.07028	1.5
106.06566	0.4
107.04935	0.5
107.07356	0.3
107.08608	0.7
108.05737	0.4
108.08138	0.9
109.06547	0.5
110.09695	0.6
111.04437	0.8
111.08086	1.5
112.12260	0.2
113.06031	0.5
115.03900	0.3
115.05452	0.4
116.44413	0.2
117.03400	0.3
117.06976	0.6
118.06571	0.3
119.04878	1.2
119.08597	0.8
120.08131	1.8
121.06517	0.8
121.08905	0.4
121.10120	0.3
122.09679	3.1
123.08060	2.2
124.07590	0.4
124.11240	1.1
125.06013	0.5
125.09623	0.9
127.03889	1.2
131.04959	0.3
131.08560	0.7
132.08107	0.6
133.06482	0.6
133.08839	0.2
133.10081	0.3
134.09641	3.8
135.04419	0.5
135.08057	0.8
136.05217	0.6
136.11218	5.5
137.06018	0.4
137.09570	0.3
139.03899	0.7
139.07574	0.5
143.08586	0.5
144.08105	0.4
145.06512	0.3
145.10129	0.3
146.09645	1.0
147.04472	0.5
147.08026	0.6
148.11243	0.7
149.06006	0.8
149.12000	0.3
150.09169	2.2
151.07527	1.5
152.10719	2.8
153.09184	0.3
154.12297	0.8
157.05080	0.3
157.10089	0.3
158.09702	0.7
159.08061	0.5
160.11258	1.4
162.09157	1.0
162.12762	1.9
163.03954	1.2
163.07600	0.9
163.13599	0.7
164.10722	0.5
164.14366	9.2
165.14639	0.3
166.08691	0.3
168.10208	1.7
171.08078	0.3
172.11293	0.4
173.09628	0.5
174.12830	0.4
175.07457	0.2
175.11237	0.4
178.12320	0.4
179.07048	2.0
180.10216	0.5
180.13808	0.4
182.11774	18.4
183.12103	0.3
184.13382	0.6
185.09612	0.4
186.12709	0.4
187.07484	0.4
187.11261	0.2
188.10622	0.4
188.14359	0.7
190.12242	1.3
191.07085	0.8
193.08630	0.3
193.12300	0.4
201.09175	0.2
202.12341	0.4
203.10820	0.3
205.08519	0.4
206.11792	0.4
206.15405	0.3
207.06537	1.1
208.13316	5.4
217.08636	0.4
218.11806	0.3
220.13329	0.6
221.08046	0.6
232.13286	1.8
234.14899	3.8
235.06036	5.4
235.09567	0.3
236.12921	0.3
236.16284	0.4
243.10358	0.4
244.17006	0.2
245.11714	0.3
246.14912	0.4
248.10658	0.2
250.14377	0.4
253.07074	6.7
258.14960	0.3
260.16473	2.4
261.11246	0.5
261.16971	0.3
262.17984	1.5
276.15991	0.7
277.10733	0.3
278.17505	7.9
287.12781	0.3
287.17465	0.4
288.15756	0.4
290.17667	0.4
306.16888	0.3
308.18707	0.3
352.18845	0.3
400.21216	0.7
410.19876	0.4
418.22360	1.0
428.20605	0.7
452.24356	0.4
480.23849	1.3
498.24878	13.9
499.25031	0.4
516.25940	100.0
517.26270	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	516.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98425	1.6
55.05507	2.1
56.96568	5.0
61.02945	1.5
64.18279	1.7
65.72210	1.5
67.05515	7.6
67.87892	1.7
69.03427	6.0
69.07063	2.0
70.06598	3.9
71.05014	3.4
71.44111	1.8
79.05503	7.3
80.63248	1.5
81.07057	12.9
83.04957	2.0
84.08166	5.0
84.92434	1.7
85.02911	12.3
86.09731	3.8
91.05482	8.2
93.07043	10.0
94.06574	2.3
95.08602	14.4
97.02898	1.9
105.07027	15.1
107.08588	9.9
109.10146	7.9
109.48727	1.7
116.98639	2.0
117.07030	4.0
119.08568	7.6
121.10103	7.5
122.09669	3.2
123.08062	2.1
123.11733	3.2
125.02353	1.7
131.08585	4.8
133.10165	6.8
135.11685	5.2
136.11241	4.8
143.08591	4.7
145.04996	2.7
145.10114	12.7
147.11679	16.0
149.13298	5.2
151.03896	3.7
152.10744	3.1
157.10173	3.9
159.11684	11.9
161.13264	11.2
164.14331	8.1
171.11760	3.5
173.13275	15.2
175.14886	2.2
177.12848	1.9
178.05421	2.2
180.08723	4.3
182.11746	14.8
185.13287	5.0
187.14787	2.4
191.14330	7.2
199.14789	16.0
201.09004	1.8
207.13739	1.8
208.13504	3.2
213.16452	4.3
217.15862	7.9
219.10205	5.0
224.05940	4.2
227.18025	3.0
229.71468	1.8
234.14874	2.1
235.06062	2.9
238.07602	2.9
240.05379	2.3
242.07114	2.9
253.07176	5.3
255.21072	76.2
258.06506	1.9
273.22128	97.9
278.17499	5.9
283.20474	9.5
301.21634	37.5
319.22693	100.0
320.22943	2.1
339.11295	1.6
380.15338	10.0
381.07578	1.8
398.16241	16.1
456.16852	7.6
474.18011	7.5
498.24658	11.7
516.19464	3.9
516.25946	81.7
517.26471	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	516.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98425	1.6
55.05507	2.1
56.96568	5.0
61.02945	1.5
64.18279	1.7
65.72210	1.5
67.05515	7.6
67.87892	1.7
69.03427	6.0
69.07063	2.0
70.06598	3.9
71.05014	3.4
71.44111	1.8
79.05503	7.3
80.63248	1.5
81.07057	12.9
83.04957	2.0
84.08166	5.0
84.92434	1.7
85.02911	12.3
86.09731	3.8
91.05482	8.2
93.07043	10.0
94.06574	2.3
95.08602	14.4
97.02898	1.9
105.07027	15.1
107.08588	9.9
109.10146	7.9
109.48727	1.7
116.98639	2.0
117.07030	4.0
119.08568	7.6
121.10103	7.5
122.09669	3.2
123.08062	2.1
123.11733	3.2
125.02353	1.7
131.08585	4.8
133.10165	6.8
135.11685	5.2
136.11241	4.8
143.08591	4.7
145.04996	2.7
145.10114	12.7
147.11679	16.0
149.13298	5.2
151.03896	3.7
152.10744	3.1
157.10173	3.9
159.11684	11.9
161.13264	11.2
164.14331	8.1
171.11760	3.5
173.13275	15.2
175.14886	2.2
177.12848	1.9
178.05421	2.2
180.08723	4.3
182.11746	14.8
185.13287	5.0
187.14787	2.4
191.14330	7.2
199.14789	16.0
201.09004	1.8
207.13739	1.8
208.13504	3.2
213.16452	4.3
217.15862	7.9
219.10205	5.0
224.05940	4.2
227.18025	3.0
229.71468	1.8
234.14874	2.1
235.06062	2.9
238.07602	2.9
240.05379	2.3
242.07114	2.9
253.07176	5.3
255.21072	76.2
258.06506	1.9
273.22128	97.9
278.17499	5.9
283.20474	9.5
301.21634	37.5
319.22693	100.0
320.22943	2.1
339.11295	1.6
380.15338	10.0
381.07578	1.8
398.16241	16.1
456.16852	7.6
474.18011	7.5
498.24658	11.7
516.19464	3.9
516.25946	81.7
517.26471	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	516.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
57.03447	0.6
57.07077	100.0
59.05008	0.5
62.22437	0.3
67.05506	11.9
69.07071	1.0
69.19551	1.8
71.08631	15.3
73.51253	0.4
81.07058	9.7
83.08633	1.3
85.06546	0.6
85.10188	8.5
91.68710	0.4
95.08603	10.7
109.10165	10.5
109.10897	0.7
127.11197	27.9
137.13301	1.5
138.82014	0.4
153.02019	0.4
155.14304	5.8
201.14983	0.7
244.01117	0.4
327.25320	13.8
355.28424	17.8
398.48563	0.4
416.43280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
57.83486	0.3
61.02918	1.2
69.03418	1.6
70.06578	0.6
70.59950	0.5
71.85013	0.3
79.05499	0.7
81.03414	0.8
84.08145	0.5
85.02412	0.4
85.02901	6.9
86.09686	0.7
89.03906	4.8
91.03954	0.3
97.02887	2.2
99.04466	0.4
107.04941	1.3
109.02884	0.3
117.03374	5.7
123.51222	0.3
127.03876	1.4
129.10239	0.4
135.04410	11.0
145.02843	10.0
145.03960	0.7
145.04848	1.6
163.03893	100.0
164.04234	1.2
279.10400	0.3
325.09131	0.7
337.18365	0.5
355.19400	0.5
457.10263	0.5
517.24933	0.9
518.25696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
57.03430	0.5
61.02920	1.1
63.65248	0.3
69.03435	1.7
70.06577	2.0
70.59387	0.5
72.08144	0.9
79.05486	0.7
80.41287	0.3
81.03398	0.8
84.04494	0.4
84.08150	1.2
85.02908	6.0
86.09711	1.5
89.03918	4.7
97.02903	1.8
97.78800	0.3
98.06038	0.4
99.04478	0.4
107.04975	1.5
109.02879	0.9
117.03391	5.1
125.90025	0.3
127.03926	1.2
129.10252	1.0
130.06531	2.1
135.04420	11.9
145.02850	10.3
145.04900	1.8
154.67969	0.4
163.03900	100.0
164.04234	1.2
202.69225	0.3
311.23691	0.3
325.09305	0.4
354.52432	0.3
516.31763	0.5
517.32922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61856	1.0
69.30753	2.6
69.31155	2.0
79.05514	1.2
85.02917	1.7
86.44570	1.0
89.03940	1.3
91.05473	2.4
95.04987	1.5
95.08603	1.2
98.23516	1.6
100.11273	0.9
103.05467	48.9
104.06255	2.2
105.07046	1.0
105.19297	1.0
107.04940	8.0
110.10287	0.9
115.05466	1.2
117.03416	1.7
119.04920	1.0
121.06503	1.4
131.04924	36.7
132.05731	2.8
133.06528	3.2
135.04437	2.7
135.08046	2.4
137.05969	28.2
137.07016	1.9
145.02881	2.1
145.04974	1.3
145.06525	1.7
147.04411	5.3
148.05200	1.3
149.05951	10.1
149.19542	1.0
151.03912	2.7
151.07558	2.4
159.06889	1.0
161.02409	1.6
163.03893	8.7
163.07530	34.2
164.08328	78.8
173.05965	2.3
180.07811	2.1
187.03894	4.9
188.04742	4.1
197.23676	1.0
201.05490	7.5
219.08076	2.2
226.92439	0.9
233.05965	1.0
235.22662	1.1
237.09212	1.7
246.06932	0.9
247.07497	2.5
250.06297	1.3
256.21558	1.0
264.07938	1.9
265.08612	8.3
275.07184	1.5
283.09705	1.0
292.07343	2.1
307.09698	5.7
325.10696	100.0
326.11102	2.1
517.37256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2778
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
51.59922	0.7
55.05519	1.5
67.05507	1.6
69.57047	2.9
73.94522	0.7
76.61241	0.7
79.05502	2.1
81.03413	1.5
81.07053	2.3
83.08621	0.8
91.05486	1.9
93.07079	1.4
95.04983	1.4
95.08614	0.7
105.07068	0.8
107.05019	1.1
109.06559	0.8
119.08630	2.1
121.10216	1.0
122.02345	0.8
133.10158	1.2
136.81987	0.8
141.15544	0.8
151.34337	0.8
157.10115	1.1
189.70261	0.8
204.13837	1.5
231.25056	0.8
233.11530	2.3
233.15356	1.0
251.12598	5.2
266.13751	0.9
267.15918	0.9
273.89642	0.7
289.14111	3.0
307.15237	2.7
384.48755	0.9
459.28824	0.9
517.27679	100.0
518.27930	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	517.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45509	0.9
63.64257	0.7
67.06908	0.7
70.75317	0.7
73.83752	0.7
75.10374	0.7
91.55814	0.7
95.29355	0.9
98.23532	1.3
120.08152	1.9
130.09763	0.9
130.15929	2.5
162.12854	1.3
204.13855	2.3
205.14159	2.7
229.25047	0.9
232.17087	1.1
233.17336	1.6
245.25606	0.8
260.16382	1.6
261.16736	2.5
265.07083	1.7
279.17664	2.2
303.17722	0.9
443.25763	1.3
463.55380	0.9
517.30225	100.0
518.30676	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	517.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01867	2.5
55.05513	25.9
57.03434	6.3
57.07077	14.2
58.37914	2.0
59.29640	1.9
60.15515	2.0
61.02924	4.2
63.40275	2.1
67.05505	98.2
69.03455	4.0
69.07067	28.5
71.04990	4.6
71.08651	8.0
71.44914	2.7
71.45592	2.6
74.94771	2.1
79.05494	24.6
81.07059	100.0
83.04987	4.6
83.08614	22.3
85.02914	4.4
85.06539	2.4
86.09697	6.0
91.03989	3.1
91.05497	22.2
93.07052	29.1
95.04953	3.8
95.08607	84.5
96.07273	2.3
97.06535	6.5
97.10167	13.5
99.08107	5.3
104.10758	39.2
105.04536	2.5
105.07040	14.7
107.08593	16.4
109.10155	36.2
111.08118	2.9
113.09636	3.2
119.08578	16.6
121.06583	4.2
121.10152	24.2
123.11713	25.0
125.09649	2.5
131.08586	2.3
133.10120	19.3
135.02261	1.9
135.11713	10.1
137.13281	9.1
141.12749	4.4
146.98180	4.0
147.11676	11.8
149.13264	8.5
151.14854	7.5
155.14322	2.7
161.13257	15.1
163.14854	11.0
165.16435	9.4
166.56799	2.3
172.30295	2.7
175.14917	11.0
179.14427	2.5
179.17957	6.5
189.16385	6.2
193.15988	2.3
205.14229	2.5
217.19583	3.1
220.52800	2.8
245.22639	47.5
263.23688	66.6
263.26361	3.9
337.27341	55.3
355.28223	3.1
459.24966	16.9
499.32382	4.0
517.26123	6.4
518.32056	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	517.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01874	1.4
55.05254	1.8
55.05510	21.5
56.96561	6.1
57.03437	45.8
57.07078	9.5
59.04998	1.2
61.02928	8.3
62.01645	0.9
65.03915	1.4
67.05503	33.0
69.07065	34.8
69.84209	0.9
70.11999	0.9
71.04995	1.4
71.08627	3.2
75.04489	3.0
79.05480	11.1
81.07056	40.3
83.04980	1.9
83.08617	25.6
83.09097	1.7
85.06542	2.0
85.10203	2.0
86.09737	1.2
91.05490	7.5
93.07048	17.5
95.04955	1.7
95.08606	40.2
97.06524	4.5
97.10168	20.8
98.97588	3.0
101.06041	1.3
104.10741	1.4
105.07055	3.6
107.08591	9.9
109.06509	1.5
109.10162	18.3
111.08093	3.3
111.11697	10.1
112.99272	0.9
113.00034	3.5
113.89880	0.9
116.98608	1.7
117.05489	100.0
119.08566	5.3
121.10136	17.4
123.08088	2.4
123.11703	5.7
125.13280	3.3
131.00195	4.3
131.08614	1.2
133.10146	4.2
134.99670	1.0
135.11684	10.9
136.93102	4.5
137.09654	1.8
137.13228	1.9
139.11191	2.1
139.14838	1.2
147.04395	3.4
147.11661	2.7
149.01215	9.1
149.13268	4.0
151.14810	1.4
154.94125	8.6
161.13303	2.2
163.14813	2.5
165.12729	1.6
167.02333	2.5
169.19286	1.1
172.95245	11.7
175.14844	2.7
177.16484	1.2
179.14333	2.7
179.98300	5.3
184.07356	1.1
190.96365	2.9
191.17938	1.3
193.15857	1.1
197.98459	2.0
207.17442	1.5
209.19331	1.1
210.96861	3.6
228.97871	5.3
244.23174	1.2
249.22195	1.1
273.25885	1.7
287.27213	2.9
291.26758	4.9
305.28329	4.7
309.27890	3.4
315.26694	2.8
320.19748	3.2
331.26205	3.0
333.27863	17.1
337.20636	1.4
338.20865	4.1
341.23898	2.1
351.28766	1.0
369.29965	4.1
382.51993	1.3
383.24591	5.1
383.31528	69.4
384.31863	2.4
405.29990	4.5
407.26834	1.1
407.31439	5.3
415.27240	4.1
425.32565	15.0
426.32968	1.2
435.12622	1.1
441.42914	1.2
443.32791	1.1
456.18771	4.8
457.28397	1.6
461.72330	1.0
473.19656	3.4
474.20166	25.4
475.19891	1.9
481.35138	2.2
497.21732	2.5
499.36215	9.9
517.24915	6.2
517.37341	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	518.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04801	0.8
80.06826	0.8
103.95139	3.3
104.99271	29.5
119.05422	0.9
155.03360	1.0
161.66948	0.9
174.12823	1.6
177.01607	1.7
186.12796	1.1
217.04736	2.9
218.11812	3.7
235.50731	0.8
260.16434	1.0
282.14722	2.6
304.13007	0.9
311.24536	3.0
364.31259	0.8
392.18347	5.3
436.17331	100.0
437.17502	3.3
454.18356	7.9
458.15836	1.1
477.20020	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	518.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91966	1.1
53.03939	4.5
55.01868	3.2
55.05495	1.4
57.03433	7.0
61.02926	10.9
69.03426	33.0
71.04987	3.1
73.02917	8.7
73.12917	1.1
81.03414	21.8
83.08642	1.4
85.02904	98.5
87.04467	22.5
91.03963	8.0
91.05484	9.8
95.04946	1.5
95.08553	1.1
97.02892	36.7
97.06532	1.6
98.23493	2.9
99.04462	6.6
103.03977	2.4
108.04517	6.8
109.02890	16.8
115.03933	81.4
119.04943	17.0
126.05493	2.5
127.03912	59.3
129.43214	1.1
132.01932	1.1
133.04967	22.7
145.04958	65.5
147.04420	17.8
157.03934	1.9
157.05026	2.1
157.35384	1.2
161.06013	1.5
163.06027	10.3
172.03931	3.2
173.05975	2.2
175.03905	36.0
182.11742	1.8
192.04192	8.8
193.08640	3.2
197.18086	1.1
204.06522	7.5
205.08566	3.2
207.06516	100.0
208.06883	1.7
221.08043	1.5
225.05357	2.5
225.07574	43.3
241.06970	2.4
249.07529	5.4
259.05484	1.9
259.08057	16.1
271.09808	1.4
277.09198	12.6
307.00757	1.1
315.08633	2.7
333.09570	1.3
507.37332	1.4
518.20374	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	7.5
59.04993	2.5
60.04518	1.8
61.02909	1.2
67.05492	1.8
69.03430	30.9
69.07059	11.2
69.28581	4.6
70.06604	2.2
75.04497	1.2
79.05465	1.3
81.03441	1.0
81.07069	1.6
84.08141	1.3
85.02905	22.1
86.09711	1.2
87.04469	19.7
91.05466	1.5
93.07043	2.8
95.04995	2.0
97.02893	30.2
98.23455	1.5
105.01881	1.8
105.07027	3.0
107.04958	3.6
107.08613	1.4
115.03117	1.7
115.03925	29.1
119.08560	1.8
121.10094	1.6
123.04408	1.6
123.08038	1.1
127.03903	3.8
131.08554	1.6
133.02859	11.5
133.04968	27.0
133.10100	1.5
145.04944	3.1
147.11726	1.1
150.07620	3.2
151.03900	98.2
152.04237	4.1
159.11713	6.1
161.13243	3.6
163.03888	1.5
165.05510	2.8
175.11156	1.7
177.12698	5.6
187.81575	1.0
189.09100	27.2
189.16357	1.0
199.14847	3.8
207.10153	100.0
208.10506	1.9
213.09135	1.5
217.15889	4.8
231.10152	1.4
234.14938	1.3
235.16959	2.1
263.13870	1.7
273.11255	2.0
285.11182	3.9
303.12131	3.8
321.09860	1.7
321.13342	15.4
339.14569	1.5
458.19559	1.1
518.26489	4.5
519.22156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02413	0.4
51.42209	0.4
55.01889	0.7
56.96555	0.6
57.03439	8.9
59.04997	1.8
60.04524	1.3
61.02916	0.7
62.18543	0.4
64.11326	0.4
67.05509	0.9
69.03429	31.3
69.07066	11.5
69.31039	0.3
69.31383	2.0
70.03780	0.4
70.06592	1.3
71.01344	0.4
71.04993	0.4
73.02921	0.8
75.04488	1.2
77.03937	1.4
79.05493	1.5
79.76438	0.3
81.03421	0.9
83.01388	0.5
83.85007	0.4
85.02904	23.1
87.04466	18.5
87.05014	0.6
91.03912	0.6
91.05486	1.3
95.04977	2.4
97.02891	29.4
99.04466	0.9
105.03405	0.7
105.04520	0.4
107.04942	3.1
107.08595	0.6
115.03932	29.2
117.06969	0.4
119.04964	0.5
121.06510	0.8
123.04420	1.1
123.08073	0.7
127.03928	2.1
133.02852	11.3
133.04962	23.0
133.06516	0.9
135.04399	0.7
139.03879	1.3
145.04929	2.3
147.04407	1.3
150.07613	3.4
151.03899	99.1
152.04219	1.2
157.10246	0.5
158.10399	0.5
163.03925	0.5
163.06070	0.6
165.05457	2.8
175.11217	2.6
176.11588	1.2
189.05505	1.3
189.09096	24.1
190.09375	0.4
205.08598	1.3
207.10158	100.0
208.10501	1.5
211.10753	0.4
213.09116	1.7
217.08600	0.8
229.08650	0.5
231.10158	0.9
241.06903	0.5
249.11243	0.9
255.10062	0.8
259.07968	0.6
267.10025	0.6
273.11072	1.0
277.09158	0.5
285.11276	4.5
303.12265	4.0
307.96326	0.4
310.10956	0.6
321.13312	15.2
339.14276	1.4
351.14246	0.8
360.92853	0.4
370.56311	0.4
427.47879	0.4
490.68683	0.5
518.26721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	0.8
54.31166	0.5
55.01856	1.0
55.05507	1.4
55.23490	0.6
57.03436	1.4
57.07109	0.7
61.02923	1.7
66.70925	0.5
67.05492	1.7
67.68139	0.6
69.03431	5.7
69.07062	0.6
69.35708	2.5
71.05001	1.3
73.02931	0.9
77.83695	0.5
78.68309	0.6
79.05480	1.6
81.03419	4.4
81.07058	4.8
85.02906	28.1
87.04472	3.6
91.05475	3.4
93.07028	2.0
95.04965	1.1
95.08591	1.4
97.02889	5.4
97.06519	0.7
101.49765	0.6
103.03972	0.7
105.07035	9.8
107.08609	3.5
109.02895	2.2
109.06517	1.8
109.10171	1.6
115.03928	15.7
117.07032	1.9
119.08586	12.7
121.10136	2.4
123.08077	0.9
123.10888	1.0
123.11716	13.4
125.06043	0.8
127.03930	8.5
128.06221	0.7
129.06985	1.2
130.07823	1.1
131.08559	3.8
133.04984	4.5
133.06476	5.7
133.10123	1.2
135.08093	0.8
137.05952	0.7
137.09599	1.0
141.07004	1.0
143.08527	1.5
145.04970	7.0
145.06174	0.8
145.10127	14.7
147.08060	1.6
147.11688	21.9
149.09608	2.3
151.07503	1.0
156.09361	5.2
159.08014	1.8
159.11655	0.7
161.13246	1.2
163.06044	1.7
171.11649	3.3
173.09476	0.6
174.10347	2.2
179.03094	0.7
189.12749	100.0
190.13091	1.6
207.13821	14.6
207.15797	0.7
225.14775	2.9
259.07932	2.9
266.27795	0.7
277.09180	11.6
316.15518	0.7
374.37903	0.6
423.95560	0.6
518.27075	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	518.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01873	0.9
55.05515	0.7
56.40542	0.4
57.03446	0.7
57.05705	0.4
57.07080	2.1
59.56964	0.4
61.02936	0.9
63.90390	0.4
67.05511	4.1
69.03437	8.1
69.07071	2.5
71.05010	0.6
74.26871	0.4
78.73668	0.3
79.05496	8.1
79.92194	0.4
81.03432	3.5
81.07060	100.0
82.07384	0.8
83.08626	0.5
85.02901	3.8
86.87014	0.4
91.03963	1.4
91.05466	0.6
93.07063	1.5
95.04977	1.4
95.08609	16.4
97.02896	7.6
97.06534	4.8
99.04469	1.4
105.07082	0.8
107.08604	0.5
109.02886	9.3
109.10171	1.7
111.04454	1.2
115.03902	0.7
127.03924	9.5
129.05479	10.5
129.20113	0.4
137.13258	28.5
138.13649	0.5
139.03906	1.1
145.04968	6.6
154.15848	0.8
157.05049	1.3
185.04453	7.1
203.05525	4.1
204.16577	0.4
205.14070	0.4
218.08914	0.4
241.08524	0.7
245.06567	0.6
278.08878	0.4
283.08289	0.6
311.07608	2.7
311.12988	0.9
329.08652	14.6
337.14926	0.4
347.43369	0.5
355.15442	3.3
411.85004	0.4
518.26642	4.2
523.93872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03437	0.6
61.02921	1.2
67.05502	1.2
69.03441	6.3
70.06596	2.4
71.04994	2.4
73.02917	1.4
79.05499	0.5
80.05036	3.2
81.03408	1.7
81.07069	1.3
85.02917	8.0
87.04471	0.9
91.03959	0.6
93.07059	0.7
94.06580	1.3
95.04975	12.8
97.02897	2.7
97.06523	1.1
99.04470	1.3
105.07050	1.4
107.08544	0.8
108.08086	0.6
109.02889	0.9
109.10171	1.3
115.03892	1.0
120.08100	2.0
123.04430	0.6
125.09594	0.6
127.03909	3.2
132.08092	0.6
134.09680	1.6
136.07584	0.6
137.09608	0.6
138.09145	1.0
143.08623	0.7
145.04980	1.9
146.09651	1.5
148.07561	2.5
148.11215	1.1
158.09523	0.6
160.11224	1.9
161.09709	1.1
162.09155	1.6
162.12654	0.7
164.10739	1.0
167.32523	0.5
174.09167	1.9
176.10733	0.8
178.12274	10.1
181.04990	0.6
184.09708	1.6
188.14412	1.2
192.13919	0.6
194.15356	0.6
198.12830	0.7
202.10744	1.0
204.13881	1.3
206.15433	1.5
214.16377	0.6
216.13837	4.6
222.14926	4.6
234.14896	30.1
235.15277	0.9
236.16515	1.5
240.16104	1.3
246.14966	1.1
250.18039	1.3
252.15939	9.4
258.18503	1.0
264.19528	1.0
268.19077	0.8
270.16934	2.5
274.18085	4.8
282.16800	0.8
284.16428	0.8
292.19058	11.0
300.20505	0.5
302.17465	2.2
310.20145	18.3
311.20346	0.7
320.18539	4.4
328.21127	2.3
338.19592	10.9
356.20679	100.0
357.21060	2.1
500.23492	0.6
518.24622	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	518.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01866	3.1
55.05480	0.7
56.05019	0.8
57.03396	2.0
61.02918	3.5
66.00817	0.7
67.05486	0.8
69.03430	9.1
69.34168	3.0
70.06551	1.3
71.04961	1.4
72.94492	0.6
73.02874	2.4
79.05441	1.7
80.04995	1.0
81.03374	2.7
84.08155	1.3
85.02901	9.7
87.04424	2.4
91.05418	0.9
93.07021	0.7
94.06517	1.6
95.04917	0.7
95.08582	0.7
96.08128	1.0
97.02346	0.5
97.02888	4.3
99.04410	1.8
102.48640	0.6
105.06977	1.7
107.08530	1.3
108.08074	2.8
109.02856	1.3
112.07533	0.9
117.07022	0.7
119.08521	0.8
120.08075	1.1
121.10118	0.6
122.09645	1.3
125.05934	2.7
127.03856	2.2
132.08109	0.8
133.10121	0.8
134.09662	6.3
136.11142	1.1
144.08057	0.7
145.10135	1.0
146.09523	0.8
148.11237	3.6
149.11974	1.6
150.09091	2.1
152.10701	1.3
158.09494	0.6
160.11156	1.2
161.05112	0.6
162.09171	0.8
162.12688	1.0
163.03906	0.8
168.10179	0.9
169.89346	0.6
172.11179	1.4
174.12764	0.8
174.22031	0.7
176.10753	0.8
178.12268	1.5
182.11731	2.2
190.12192	2.4
192.13809	0.7
200.14302	1.2
202.12154	0.6
204.13579	0.7
208.13330	1.2
214.12294	1.3
216.13818	1.0
218.11696	2.5
218.15364	1.4
220.13322	1.9
222.14877	4.2
227.85326	0.6
228.13832	1.5
232.13185	1.0
234.14767	0.8
236.12782	2.2
238.14359	0.8
239.65370	0.6
246.14883	10.2
248.16418	1.1
251.15132	0.8
262.14340	1.2
264.15933	14.4
274.17999	1.0
282.16983	5.2
284.16599	0.6
292.19110	1.2
294.17014	4.2
296.18701	0.7
302.17374	1.2
310.16663	0.8
312.18066	10.8
313.15646	0.6
320.18512	12.2
334.61066	0.6
338.19608	48.7
339.19983	1.2
356.20657	93.1
357.20898	3.1
518.25964	100.0
519.26404	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	518.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.01869	1.3
57.03428	1.6
60.04504	0.5
61.02914	2.0
66.70049	0.5
69.03426	6.9
69.67024	2.3
70.06593	1.0
71.05000	1.4
71.83109	0.5
72.08137	0.8
73.02939	1.3
79.05505	0.6
81.03409	2.5
81.07059	0.6
85.02902	8.0
86.09691	1.3
87.04453	1.9
91.03957	0.6
91.05482	1.0
93.07050	0.6
94.06551	0.8
94.19759	0.5
96.08138	0.7
97.02876	3.5
99.04469	1.3
105.07011	0.7
106.06537	1.0
107.02278	0.6
107.08611	0.8
108.08102	1.0
109.02925	0.8
120.08167	0.7
122.09715	0.9
125.06011	1.7
127.03923	1.8
134.09624	3.4
136.11209	0.7
144.08006	0.6
145.10144	0.6
148.11252	1.3
149.12001	0.7
150.09142	1.1
152.10692	0.7
157.10023	0.6
158.09746	0.6
160.11307	1.0
162.12897	0.9
163.03957	2.7
164.04254	1.5
168.24829	0.7
172.11240	1.4
174.12788	1.1
178.12279	0.6
182.11853	0.9
190.12335	1.4
200.14375	1.0
208.13396	1.0
214.12314	1.2
217.03703	0.7
217.08197	1.0
218.11728	1.6
220.13316	1.7
222.14931	1.2
228.13905	0.8
232.13376	1.3
234.14841	0.6
236.12779	1.5
243.79129	0.5
246.14893	5.8
248.16512	1.9
252.16060	0.7
264.15939	16.2
274.17941	0.7
282.17041	1.4
292.19000	1.5
301.38101	0.6
302.17502	0.7
312.18253	1.0
320.18549	13.4
338.19595	31.2
339.19907	0.8
355.18985	0.6
356.20645	53.4
357.20938	1.3
426.21481	0.6
444.29996	0.6
500.07764	0.6
500.24753	1.2
518.25934	100.0
519.26355	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15502	0.5
53.03906	0.5
55.01849	1.0
55.05490	0.5
57.03410	0.5
61.02893	1.0
69.03434	5.7
69.55669	0.8
69.56063	0.9
70.06551	1.0
71.04961	0.9
73.02872	0.8
80.04999	0.4
81.03378	1.2
83.04936	0.4
84.14163	0.4
85.02918	5.2
87.04433	0.8
91.05483	0.5
93.07005	0.5
94.06532	0.8
95.08514	0.5
96.08121	1.0
97.02896	2.8
99.04428	1.0
105.06972	0.8
107.08539	0.7
109.02848	0.7
109.06511	0.5
110.09673	0.7
112.07520	0.9
119.08526	0.8
120.08079	0.5
122.09645	1.0
124.07561	0.6
125.05920	1.3
127.03928	0.9
134.09674	2.0
136.11211	1.0
137.09561	0.6
143.68777	0.4
146.09621	0.6
148.11125	0.6
150.09100	0.9
152.10661	3.6
158.09677	0.7
160.11179	1.1
162.09160	0.6
162.12724	0.6
163.03835	0.6
164.10677	0.7
172.11107	0.9
176.10693	0.5
178.12206	1.8
182.11717	1.7
190.12190	1.4
192.13589	0.4
200.12753	1.3
202.12230	0.6
204.13843	0.7
205.12346	0.5
206.11661	0.5
208.13333	0.8
214.12234	0.7
214.29477	0.4
214.97408	0.5
216.13780	0.8
218.11853	0.4
218.15355	1.0
219.23268	0.4
220.13251	1.0
222.14880	1.5
228.13847	0.8
232.13293	1.3
238.14462	0.9
246.14880	3.0
256.16934	0.5
262.14389	0.7
264.15952	15.1
274.17908	1.0
280.15421	0.4
282.17032	5.7
292.18967	1.1
294.17035	0.8
308.18799	0.5
310.16565	0.6
312.17969	0.9
320.18597	6.2
336.18204	0.7
338.19604	26.2
354.19052	0.8
356.20663	100.0
357.21106	2.6
363.51550	0.5
426.21149	0.8
430.26611	0.4
500.25024	0.8
518.25977	67.7
519.26233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79967	1.5
55.05504	4.6
56.05027	2.9
57.03442	9.0
57.06815	2.8
57.07078	34.0
58.95185	1.4
66.69694	1.7
67.05500	7.5
69.07074	6.5
69.70551	4.7
71.07392	9.5
71.08631	20.7
75.10977	1.6
80.94872	1.4
81.07063	9.1
83.08608	7.5
83.66442	1.4
85.10187	10.6
86.09705	57.6
89.06029	2.9
95.08606	11.0
97.10184	5.0
103.07587	1.8
104.10757	4.2
109.10155	7.9
123.11697	3.0
123.20627	1.5
142.33545	1.6
146.98183	89.1
149.26514	1.6
172.99950	1.6
175.06007	1.9
180.21719	1.5
188.00783	2.9
232.17567	1.7
251.14334	1.5
257.24832	2.5
272.42526	1.5
288.45316	1.5
313.27350	29.0
355.20447	1.5
459.24817	100.0
460.24823	4.2
518.32208	75.1
519.32495	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	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.05039	1.4
58.06609	1.3
59.07388	0.4
60.08161	17.3
67.05503	2.9
69.07057	0.6
69.84842	0.8
71.07373	7.0
72.77292	0.3
79.05495	1.8
80.32581	0.3
81.07068	1.8
86.09703	52.1
87.10028	0.5
91.05482	1.2
93.07031	2.1
95.08598	1.4
98.23425	0.5
98.97842	0.3
98.98473	4.5
104.10738	95.2
105.07053	0.7
105.11098	0.6
107.08624	0.6
107.52795	0.3
109.10133	0.3
121.10126	0.4
124.99998	30.0
143.38422	0.3
163.01549	0.6
166.40608	0.3
184.07332	100.0
185.07664	0.6
256.26389	0.4
258.11029	1.1
335.25809	0.7
441.24289	0.3
500.31348	7.7
518.32428	29.4
519.32874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82481	0.1
55.05507	0.2
56.05029	0.5
57.03445	0.1
58.06321	0.2
58.06630	0.5
59.07380	0.1
60.08161	6.2
60.22585	0.1
67.05508	0.7
69.07082	0.1
69.59017	0.3
70.06557	0.1
71.07370	3.1
76.94122	0.1
79.05492	0.3
81.07064	0.5
86.09701	31.2
87.10020	0.2
88.71442	0.1
93.07039	0.4
95.08587	0.4
98.23470	0.2
98.98463	2.8
104.10740	3.0
105.07033	0.1
107.08548	0.1
124.99996	20.6
126.00325	0.1
143.01031	0.2
166.02721	0.2
184.07329	100.0
185.07750	0.5
200.20053	0.1
258.11057	0.2
264.75879	0.1
288.52545	0.1
331.74988	0.1
335.25784	0.2
339.30231	0.1
417.53714	0.1
421.82770	0.1
455.74454	0.1
500.31363	0.9
518.24921	0.1
518.32434	2.7
519.32501	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	518.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.05018	0.4
57.33474	0.3
58.17094	0.4
58.65287	0.4
61.48126	0.4
69.03426	1.3
70.06593	5.2
70.36718	0.8
71.04983	1.0
79.05480	0.7
81.07022	0.5
84.04501	0.4
84.08145	10.5
86.06041	0.4
86.09680	0.9
90.02971	0.4
93.07032	0.4
95.08599	0.7
97.02880	1.0
98.06061	0.5
98.97598	1.2
107.00672	0.5
111.08120	0.5
121.06496	0.5
122.09677	2.0
124.11210	0.8
125.09634	1.2
129.43088	0.5
131.34206	0.5
136.11194	0.8
137.06039	0.9
137.11993	1.3
138.12753	2.4
150.09131	1.3
153.09106	0.9
154.90228	0.5
163.03905	0.9
164.04277	0.7
166.15956	3.1
168.10182	1.0
186.11243	1.0
194.15393	4.8
208.13130	0.5
213.12306	0.4
222.14961	0.6
292.19061	100.0
293.19464	2.9
338.19669	1.2
356.20584	2.5
359.42294	0.4
360.17609	1.5
458.10550	1.7
518.19287	0.6
518.25952	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	519.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01876	0.4
56.01495	0.3
61.02929	0.5
65.03915	0.3
67.05488	0.4
69.03441	1.5
69.17256	1.3
69.33068	0.2
70.06593	0.6
71.04983	0.4
71.46149	0.2
79.05479	0.6
81.03432	1.4
81.07059	0.6
85.02912	2.5
87.04459	0.5
89.03911	1.0
91.05495	0.6
93.07049	1.0
94.06558	1.1
95.07348	1.0
95.08595	0.6
96.08146	2.1
97.02883	1.1
98.23457	0.5
99.04446	0.4
107.04967	0.4
108.08132	1.7
109.02877	0.7
109.06472	0.5
110.09670	3.0
115.03923	0.5
116.04971	4.2
120.08100	2.8
121.97401	0.2
122.06032	3.0
125.02391	0.3
127.03898	0.8
134.06018	0.4
136.07591	4.0
137.05948	0.7
138.09138	4.1
138.17081	0.3
140.04671	1.0
144.03308	0.6
144.04446	9.3
145.04990	0.9
146.06079	1.3
148.03940	0.4
148.07579	1.1
150.09190	0.5
152.07033	0.3
153.05502	0.4
154.08519	0.4
155.07042	2.0
162.05507	4.0
165.05551	0.4
166.08643	9.6
172.03937	49.3
173.04327	0.5
174.05437	0.8
176.07146	0.4
177.05536	0.3
181.04848	1.6
190.04980	6.1
191.05469	0.3
192.06570	0.3
193.05029	0.3
204.06563	100.0
205.06906	1.9
207.13673	0.4
222.05800	0.4
222.07753	0.6
225.07440	0.7
225.14653	0.3
243.08633	3.4
248.53035	0.3
251.11880	0.4
268.06497	0.7
269.63611	0.3
279.11176	0.5
311.13968	0.5
316.08301	0.4
325.11798	1.0
329.15045	1.3
334.09229	1.7
339.13419	1.7
343.12842	0.7
357.14462	12.9
358.14981	0.5
375.08438	0.3
402.14474	0.3
405.15268	0.4
469.15881	0.3
487.16919	0.9
501.18436	1.2
519.18225	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
57.03429	1.4
61.02921	1.1
63.54367	0.5
67.05499	1.7
69.03433	3.7
69.07078	1.4
69.40980	0.9
69.41375	1.6
71.05003	0.8
73.02910	1.8
76.15123	0.6
77.27724	0.5
79.05505	1.4
81.03403	2.2
81.07048	2.4
83.04998	0.6
84.08131	0.8
85.02910	6.5
87.04472	0.9
89.03934	1.1
91.05473	2.3
93.07048	3.1
94.06557	1.6
95.04957	1.2
95.07347	0.8
95.08610	1.3
96.08118	1.8
97.02887	3.2
97.06532	1.7
98.03241	0.9
99.04465	1.2
105.07038	1.6
107.08570	1.9
108.08105	1.6
109.02885	1.0
109.06511	0.7
109.10159	1.6
110.09683	3.3
115.03914	3.2
116.04243	0.9
116.04977	4.4
119.08566	1.3
120.08089	3.2
121.06438	0.9
121.10140	2.6
122.06020	3.4
123.08038	1.1
125.09615	1.0
127.03924	3.0
128.04256	1.0
131.08563	2.5
133.04985	1.2
133.10117	1.8
136.07570	4.2
137.05954	1.0
138.09137	3.3
139.11159	0.8
144.04451	9.5
145.04974	2.4
145.10139	1.2
146.06067	0.9
148.03848	0.8
148.07533	0.8
149.09624	1.0
151.03893	4.7
152.04272	1.4
154.12274	0.6
162.05513	4.1
163.11185	0.8
166.08640	9.5
172.03940	43.0
173.13234	1.4
174.05519	1.3
175.14825	1.3
176.04213	0.6
182.11789	2.1
183.02965	0.6
189.09100	1.1
190.04982	7.3
202.14705	1.7
204.06567	100.0
205.06920	0.7
207.06549	2.0
207.10237	3.5
207.13766	0.9
208.06876	1.6
208.10495	2.4
209.11752	2.8
225.07550	0.6
225.14911	1.0
226.07939	1.0
234.14867	7.5
251.11546	1.0
262.18091	1.0
278.99329	0.6
279.11200	0.9
297.12048	0.6
321.24432	0.7
325.11804	1.7
329.14874	1.5
334.09250	1.2
339.13431	3.1
343.12955	0.9
347.17703	0.6
348.18484	0.8
357.10321	1.1
357.14459	15.0
400.58078	0.6
501.18509	1.0
518.26068	0.9
519.21710	11.3
520.24976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06237	0.6
55.05571	1.4
56.05076	0.5
57.03473	0.6
61.01192	0.9
61.45470	0.5
63.90046	0.5
67.05556	1.1
68.05083	1.9
69.03493	1.9
69.07124	0.6
69.27367	1.8
69.27769	1.1
71.05054	1.0
75.15366	0.5
79.05569	1.5
81.07110	0.9
82.06660	1.3
82.89836	0.5
83.07430	0.6
84.08180	0.6
85.02927	1.1
87.04536	1.1
91.05518	1.1
93.07095	0.7
94.06636	1.2
94.81310	0.5
95.05011	0.6
95.08606	9.4
96.08228	1.8
97.02944	1.3
99.04465	7.1
105.07099	0.7
108.08202	2.0
109.06612	0.6
109.08968	1.5
109.16727	0.5
110.09760	1.7
115.03989	1.1
120.08109	5.9
121.08969	1.8
122.09693	6.3
122.10395	0.5
125.06052	0.7
126.03806	0.7
127.03915	22.0
131.08656	0.6
132.08173	0.6
133.05011	0.9
133.09001	0.5
133.10260	0.8
134.09665	5.4
135.10455	3.3
136.11263	2.6
137.09695	0.6
138.03731	6.6
139.04604	1.4
140.05333	2.1
145.03276	0.7
145.05003	0.6
146.09717	1.5
147.10416	3.3
148.11217	13.6
151.03864	2.9
152.04242	0.9
152.05289	18.7
153.06090	8.5
154.06921	1.0
160.11310	0.8
162.12881	1.0
164.05345	0.8
165.05852	0.6
166.06860	18.1
167.07207	0.8
170.09619	0.6
172.11296	0.8
178.06975	1.1
179.07759	1.5
180.08441	6.6
180.10022	1.0
181.09206	23.2
182.09718	0.5
182.10300	0.7
182.11705	3.3
188.10930	0.5
189.09135	0.6
192.10280	1.8
194.11809	1.0
196.04367	2.0
203.07674	0.7
204.13896	1.7
206.15410	0.7
207.10193	2.5
208.10521	1.9
208.13347	6.4
209.15404	0.8
210.05925	2.0
224.07463	0.8
225.08203	8.9
230.10034	1.6
230.15450	0.8
232.13480	1.7
234.14890	63.7
235.15263	1.6
248.12843	5.3
249.14127	6.0
262.14453	0.6
264.14212	1.9
265.08936	0.7
268.09976	3.6
274.14432	1.4
276.10516	11.3
290.12204	1.3
301.19144	1.1
308.13138	100.0
309.13480	3.0
315.20697	1.3
320.09497	1.9
347.17853	7.8
348.18521	2.2
352.07675	0.9
352.12122	17.7
391.16794	0.8
429.23898	8.8
432.18213	1.2
475.22644	53.6
476.22928	2.7
519.22015	48.8
520.22736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05507	1.3
56.05015	0.6
57.46041	0.7
60.28268	0.6
60.44156	0.6
67.05497	1.0
68.05016	2.5
69.03409	1.3
69.30638	4.0
70.06572	1.3
71.04964	0.7
79.05494	1.3
80.05018	1.1
81.07043	0.9
82.06593	0.9
84.08137	1.4
84.63832	0.7
85.01149	0.9
85.02894	1.5
86.09674	1.1
91.05462	1.2
93.07036	1.6
94.06573	1.3
95.08614	8.0
96.08115	2.7
97.02891	1.0
99.04462	5.8
103.95129	2.1
104.99232	0.9
105.07038	1.7
106.06560	1.0
108.08092	1.9
109.02856	0.8
109.06483	0.9
109.08903	2.0
110.09688	1.7
120.08106	5.2
121.08887	1.3
122.09673	6.1
127.03907	19.4
128.05232	0.9
131.08591	0.7
132.08080	1.2
134.09648	4.8
135.10426	2.6
136.11195	2.7
137.05968	3.6
138.03703	7.4
139.04520	1.1
140.05321	2.0
146.06059	0.8
146.09563	2.0
147.10397	2.7
148.11201	14.3
151.03917	3.0
152.05289	19.5
153.06097	7.1
154.06827	0.7
165.05481	0.9
166.06860	15.6
167.07339	0.8
170.03641	0.7
172.11215	0.9
174.12837	1.3
179.07668	1.1
180.08453	7.3
180.42851	0.7
181.09210	21.3
182.11720	5.4
192.06616	0.8
192.08478	0.9
192.10257	2.0
194.11833	1.7
196.04286	2.3
204.13799	1.5
206.08238	0.8
208.13335	6.8
210.05850	2.1
221.11684	1.1
221.13837	0.7
222.15007	1.0
224.07509	1.1
225.08136	6.9
230.09827	0.7
232.13330	2.2
234.14885	64.0
235.15375	1.4
248.12880	4.6
249.14157	5.4
262.17795	0.7
264.14215	1.8
268.09827	3.4
272.16345	1.3
274.14386	1.9
276.10580	10.8
289.08627	0.8
290.12158	1.6
303.08560	0.8
308.13138	100.0
309.13538	3.4
313.83578	0.7
320.09500	2.1
327.12265	1.1
339.12106	0.8
347.17816	9.1
348.18411	1.8
352.12119	16.9
373.16553	1.1
391.16876	1.1
399.18890	0.8
429.23785	9.3
438.18741	2.2
447.92188	0.8
459.09412	0.8
473.30875	1.4
475.22623	50.6
476.22937	1.5
478.74722	0.8
519.21594	50.6
519.31293	1.5
520.21747	1.7
527.82550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
61.01169	1.6
68.05028	2.8
69.03416	2.5
69.53960	6.4
69.54265	1.9
69.72023	1.3
70.06592	2.0
79.05480	1.4
83.27877	1.2
84.08180	1.7
85.02924	4.1
86.09705	1.4
91.05486	1.8
92.82307	1.2
94.06567	1.5
95.08595	9.4
96.08122	2.4
98.23478	2.3
99.04469	8.4
100.11341	1.4
105.07090	1.7
108.08154	2.6
109.08938	2.3
120.08103	7.1
121.08924	2.6
122.09695	6.1
127.03922	26.3
130.16003	1.5
131.04967	1.5
134.09691	5.0
135.10455	5.3
136.11201	3.2
137.05971	13.8
138.03758	6.4
147.04463	1.3
147.10413	3.1
148.11206	13.6
151.03925	2.5
152.05287	16.0
153.06093	8.5
161.06027	1.3
164.10785	2.6
165.05553	3.1
166.06889	11.8
167.07047	2.2
180.08397	11.2
181.09201	15.8
182.11772	4.8
191.07053	1.9
192.10245	4.3
196.04301	3.7
196.19202	1.3
204.13864	4.8
208.13347	6.3
210.05772	2.2
216.89923	1.4
219.08134	1.6
224.07504	1.4
225.08206	8.0
232.13440	2.2
234.14885	73.7
247.07405	1.5
248.12920	3.8
249.14279	4.4
260.16428	1.9
264.14221	2.9
268.10083	4.2
274.06509	1.7
276.10526	17.4
289.08499	2.9
307.09756	4.9
308.13138	100.0
309.13571	3.6
320.09567	5.0
321.11337	8.1
323.12775	1.8
327.12262	6.3
339.12427	4.2
347.17877	10.1
352.12109	26.5
357.13553	3.7
373.16504	1.9
388.21048	2.4
391.17117	2.1
429.23764	8.0
475.22675	45.4
519.21576	77.1
520.22150	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	519.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60530	0.9
53.03955	0.8
55.05518	1.4
56.05045	1.2
61.01152	0.9
62.05530	0.7
67.05513	1.4
68.05040	1.7
69.03416	1.2
69.29809	1.1
69.30207	2.9
70.06603	0.9
71.36883	0.7
79.05512	1.0
81.07061	0.8
81.16134	0.7
82.06586	1.7
84.08152	1.6
85.02906	1.6
93.07063	1.1
94.06573	1.0
95.08605	9.2
96.08146	1.4
98.22661	1.6
99.04447	7.9
103.95155	1.0
104.99290	1.1
108.08134	2.6
110.09718	1.2
119.08582	0.7
120.08120	4.8
121.08899	1.7
122.09665	6.3
123.04420	1.0
125.06024	1.0
125.17724	0.7
127.03917	18.7
128.02097	0.8
128.05334	1.0
132.08104	1.1
133.10197	0.8
134.09657	3.3
135.10446	4.4
136.11223	2.8
137.05972	5.6
138.03737	7.5
139.04526	2.2
140.05292	2.8
140.58310	0.7
141.06078	0.8
146.05989	1.0
146.09586	1.6
147.10440	3.2
148.11198	13.3
150.09096	0.7
151.03918	3.1
152.05292	17.6
153.06099	7.8
154.06926	1.0
162.12834	1.0
164.05284	0.9
165.90919	0.7
166.06853	15.9
166.08234	1.5
170.09605	0.8
171.04764	0.9
174.12752	1.0
176.10680	0.7
179.07707	1.2
180.08397	7.7
180.35718	0.7
181.09200	20.7
182.11797	3.1
192.06470	1.1
192.10120	1.7
194.11790	1.0
196.04298	2.7
204.13867	1.1
206.15367	0.9
208.13319	7.3
210.05829	2.2
219.07994	0.9
221.11522	1.6
224.07393	1.5
225.08180	6.0
230.09941	2.0
232.11383	0.8
232.13261	1.9
234.14877	65.0
235.15219	1.7
248.12848	5.3
249.14162	5.8
264.08008	0.8
264.13962	1.1
268.10062	2.8
272.16486	1.0
274.14310	1.3
276.10519	12.5
277.08405	1.0
290.12091	1.8
301.19220	0.9
303.08612	1.3
307.09787	1.3
308.13132	100.0
309.13477	2.6
315.20490	1.6
320.09543	2.0
327.12219	1.2
347.17853	8.5
348.18704	3.9
352.07687	1.2
352.12115	17.8
373.16245	1.2
391.16843	1.6
429.23837	8.2
432.18185	1.1
438.18835	2.7
441.24051	1.3
473.31100	0.8
475.22632	48.5
476.22748	2.3
519.21558	44.8
519.31390	2.7
520.21814	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	519.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
56.05040	0.4
59.49905	0.3
63.60761	0.3
65.34886	0.3
67.05510	1.3
68.06955	0.3
69.03412	0.5
70.06598	2.0
70.43658	0.8
76.60853	0.3
79.05505	0.8
81.07061	0.6
84.08145	35.5
84.86850	0.4
90.71430	0.3
91.05475	0.7
93.07020	0.6
95.04974	0.7
95.08615	5.5
97.02898	0.5
105.07030	1.2
107.04958	0.7
107.08611	0.7
109.06564	0.4
117.07030	1.1
117.84718	0.3
120.08093	0.5
121.06468	0.3
122.09737	0.5
123.04430	3.6
123.08074	1.8
133.06505	0.6
135.08064	1.6
137.05989	2.1
139.07483	0.4
145.06497	0.4
146.06050	1.2
146.09653	0.4
148.07597	1.5
149.08374	0.9
150.09105	0.7
151.07530	2.3
160.11165	0.5
162.09183	1.1
164.10732	0.5
167.05557	0.5
167.06966	0.4
172.07574	0.8
172.11273	1.2
173.08376	0.5
173.12003	1.5
174.09180	1.0
174.12830	0.6
175.09837	0.5
186.09122	0.8
186.12843	0.4
188.10786	0.6
188.14471	0.6
194.11888	0.3
199.13475	0.4
200.10706	1.3
201.11525	0.5
202.12366	0.7
213.10234	0.5
220.13324	22.3
221.13788	0.4
224.65689	0.4
228.13908	0.5
234.14923	0.4
241.08597	0.4
243.64012	0.4
245.08272	0.6
270.14813	0.4
271.13193	0.4
272.16342	0.4
282.15082	0.4
298.14380	7.8
299.15167	1.2
300.15948	6.7
322.17963	0.5
324.16089	0.6
324.19556	6.3
324.23090	0.6
334.17877	0.9
340.19043	4.4
352.19003	4.9
364.84720	0.4
366.19394	3.3
433.11707	0.5
501.27533	1.2
517.26459	1.7
519.12701	2.5
519.28534	100.0
520.28870	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	519.2935
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.05500	1.0
57.03427	0.7
67.04104	0.5
67.05506	2.3
69.03448	0.7
69.07047	0.7
79.05523	0.8
81.03439	0.8
81.07070	3.1
83.05042	0.6
85.02897	0.8
85.06507	0.6
91.05509	1.8
93.07036	1.8
95.04982	0.6
95.08613	1.4
100.99860	0.5
105.07059	1.1
105.88961	0.6
107.08607	0.7
109.06572	0.6
109.10168	1.1
111.08118	0.8
119.08562	0.7
147.07999	0.6
159.11711	1.3
193.12090	0.8
229.96483	0.7
232.94385	0.5
235.13103	4.6
251.12643	2.9
291.15671	2.9
307.15176	3.4
401.33963	0.7
519.29327	100.0
520.29639	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3323
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
55.05516	2.3
55.18867	0.3
57.03426	1.0
57.07081	0.5
62.01589	0.3
62.80412	0.3
63.61535	0.3
65.30539	0.3
67.05495	1.2
69.07073	2.1
71.08636	0.4
79.05489	0.6
81.07045	1.2
83.08607	1.4
89.03924	4.9
91.05468	0.5
93.07051	0.8
95.08611	1.4
97.10174	0.5
106.04169	0.4
107.08614	0.5
109.10137	0.7
117.03382	14.6
121.06488	0.3
121.10147	0.5
134.03632	1.3
135.04385	0.8
135.11671	0.4
135.95784	0.4
136.08516	0.3
145.02849	37.7
149.05981	4.4
158.06073	0.4
159.13020	0.3
163.03868	1.5
172.09451	0.3
177.05472	100.0
178.05855	0.7
186.05496	2.2
195.06491	1.9
199.03450	0.3
240.31271	0.3
250.12944	0.4
251.09167	0.5
325.27094	0.3
344.75604	0.3
378.00595	0.3
404.35861	0.4
519.21027	0.4
519.33093	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	519.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	37.0
55.99136	1.6
57.03429	6.3
57.07082	18.7
61.02926	2.0
67.05508	46.2
69.06709	3.0
69.07076	52.1
69.07452	3.3
69.26051	6.0
69.26453	2.4
71.04987	2.2
71.08632	12.2
79.05499	22.4
81.07063	52.9
83.08625	43.6
83.09103	3.2
85.02904	2.5
85.06609	1.7
85.10181	5.8
91.03978	1.8
91.05450	2.6
93.07052	26.4
95.04987	1.6
95.08610	49.0
97.02917	2.6
97.06539	7.7
97.10171	27.6
99.08086	2.6
102.07142	1.8
105.07071	2.1
107.08593	21.9
109.10159	21.1
111.08095	5.8
111.11738	10.8
121.09282	2.3
121.10146	46.0
121.10983	2.8
123.11742	8.6
125.09649	3.4
125.13313	2.6
127.03958	1.7
135.08087	1.5
135.11691	32.0
137.13293	2.5
139.11227	4.2
143.14360	2.1
149.13254	13.9
151.14833	5.2
163.14847	6.1
165.16420	3.7
177.16408	5.6
184.07413	4.2
191.17955	2.9
216.12646	1.5
247.24222	41.9
248.24748	1.7
265.25269	85.1
266.25623	3.3
283.26349	10.7
339.28958	100.0
340.29340	4.4
357.30051	9.2
501.34344	4.4
519.33032	54.3
519.40808	3.5
520.33228	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	519.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48666	1.4
55.05251	2.9
55.05507	30.2
57.03436	12.5
57.07074	26.4
59.04979	2.0
67.05502	31.9
69.07067	40.0
69.23402	4.7
69.23810	3.8
71.05008	2.8
71.08626	20.4
75.04494	1.9
79.05486	12.6
81.07055	48.1
83.04981	2.5
83.08614	33.6
85.06522	2.2
85.10183	11.4
93.07041	21.3
93.78939	1.5
95.08603	46.3
97.06524	14.0
97.10169	24.2
99.08056	1.8
107.08581	12.8
109.10151	24.5
111.08090	6.3
111.11700	7.0
121.10150	21.4
123.11710	9.3
125.09634	6.3
130.00294	1.4
131.06956	1.7
133.10080	1.8
135.11688	14.4
137.13239	2.6
139.11160	7.3
143.10657	1.7
149.13232	7.7
149.47752	1.5
153.12758	4.7
163.14821	6.1
167.14354	3.1
177.16451	2.6
181.15863	3.3
195.17534	2.2
239.55037	1.4
307.29916	5.2
317.28323	3.1
335.29312	10.4
371.31509	45.9
372.32260	1.6
409.33109	50.3
410.33249	2.0
427.34186	56.5
483.36655	18.6
501.37854	100.0
502.38043	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	520.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70630	0.3
52.15995	0.4
53.97696	0.3
58.92479	0.3
69.64792	1.1
79.05495	1.1
89.03915	0.6
90.71744	0.3
91.05487	0.5
93.07044	1.1
95.05007	0.3
103.05466	6.9
106.63578	0.3
107.04346	0.4
107.04939	1.8
113.92657	0.3
117.03378	1.1
120.08103	100.0
121.08440	1.2
126.26462	0.4
131.04936	2.5
135.04393	1.9
139.49402	0.3
141.64932	0.3
145.02843	1.7
149.06001	1.5
154.72690	0.3
158.20107	0.3
163.03906	21.5
165.30371	0.3
166.08633	53.7
167.09006	0.8
171.56314	0.3
238.84489	0.3
341.55283	0.3
355.09927	0.4
373.14224	0.4
445.44177	0.4
455.28845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09097	0.3
57.98520	0.3
58.09174	0.3
62.58673	0.3
65.17567	0.3
66.39468	0.3
67.23043	0.3
69.24409	1.0
69.24812	0.7
91.05499	0.4
98.23441	0.6
104.10754	1.2
108.20868	0.3
118.20825	0.3
119.69305	0.3
137.38412	0.3
143.04463	0.3
149.05740	7.4
151.03677	1.3
164.10786	0.8
169.20729	0.3
175.96739	0.3
176.10751	0.5
184.07333	0.4
185.08116	3.7
238.12064	1.2
288.15936	5.7
310.14139	15.2
311.14862	2.7
343.13809	0.5
394.19788	0.6
417.21240	0.5
438.18893	100.0
439.19333	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	520.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53846	0.5
51.87861	0.5
55.05505	1.0
57.07075	1.3
60.68088	0.6
61.02909	0.7
67.05506	2.3
68.93889	0.6
69.03438	5.3
69.07092	1.2
69.62276	1.2
69.62679	1.8
70.06614	0.8
71.04981	0.6
73.02911	2.7
79.05493	2.1
81.03440	1.2
81.07058	1.6
82.06580	0.6
83.05004	1.0
83.07360	1.2
83.08616	0.7
85.02901	2.9
85.06553	1.0
86.06056	1.0
87.04496	0.7
91.05476	4.2
93.07048	3.2
95.04994	1.9
95.08618	2.0
96.08128	2.3
97.02895	1.4
97.06552	0.9
98.06057	0.9
103.05437	0.6
104.64608	0.6
105.07032	5.5
106.06656	0.7
107.08600	4.9
108.08091	1.0
109.06535	1.0
109.10195	0.9
110.86339	0.6
111.08089	1.3
112.37424	0.6
115.03947	2.6
117.07036	2.2
119.04983	0.6
119.08596	5.0
120.08124	2.7
120.35771	0.6
121.06476	4.7
121.10159	4.5
122.09650	0.7
122.20197	0.5
123.08118	0.9
127.03099	0.6
127.03970	2.0
129.07005	1.3
131.08568	6.5
133.04984	0.9
133.06509	0.6
133.10124	4.0
135.08066	1.7
135.11722	0.9
136.11241	0.9
137.06065	0.7
137.09637	1.7
138.12808	2.6
139.03973	1.4
143.08586	2.0
144.09372	1.4
145.04948	2.5
145.10143	6.3
147.08054	4.4
147.10555	1.0
147.11705	3.3
148.07555	1.3
148.11255	0.7
149.09628	2.2
149.13312	2.4
151.07567	0.7
151.94345	0.6
154.12292	2.4
155.07059	0.7
158.10930	3.1
159.08104	1.6
161.09642	1.5
161.13316	1.0
162.09117	1.2
162.12830	1.4
163.14888	0.6
164.14368	1.5
167.07047	1.6
170.11813	1.3
172.03987	1.4
173.13258	7.0
174.12662	0.6
175.07581	1.0
175.14874	2.5
176.10764	1.3
176.14297	2.9
177.12775	1.2
181.04965	9.7
181.08594	1.2
186.12839	0.6
187.14915	0.7
191.14313	28.7
203.14331	2.1
204.06610	2.6
204.13840	13.9
204.17545	2.2
205.06888	1.5
205.08580	1.3
205.15947	3.7
208.13467	0.8
209.15469	1.1
214.15913	1.0
215.14417	1.4
227.09247	0.7
231.13857	3.5
232.16994	9.4
233.15421	2.1
241.07123	2.6
242.15459	1.6
250.18016	6.2
260.16455	15.2
276.34351	0.7
278.17505	19.9
279.17899	1.1
300.43701	0.6
397.20251	0.7
414.22864	1.2
432.23834	33.8
433.24387	1.0
439.20911	0.7
456.23804	0.8
474.24918	20.7
474.31717	1.3
482.59576	0.6
502.24481	5.0
520.25433	100.0
521.25720	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	520.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17569	1.4
53.03947	2.0
55.05506	5.4
56.00105	1.5
57.03428	6.4
57.07056	1.5
58.05074	1.3
62.34007	1.4
67.05507	27.1
69.07053	4.9
69.12421	8.0
79.05486	13.9
81.07058	24.2
83.08599	3.6
83.20123	1.4
86.09698	2.6
88.03973	3.3
91.05474	7.2
93.07052	11.3
95.04974	2.4
95.08594	16.3
95.56991	1.5
98.98454	5.3
104.99178	1.5
105.03320	2.0
105.07020	3.2
106.05043	1.7
107.08569	7.4
109.10170	8.4
119.08560	3.6
121.10144	5.7
131.08601	1.8
133.10172	2.9
135.11699	2.1
184.07375	4.4
198.97455	2.1
221.81210	1.5
226.31625	1.4
299.06088	1.9
335.25781	100.0
336.26196	2.5
437.09949	1.4
520.23944	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44901	1.7
51.87513	1.8
55.05510	5.3
57.03436	3.9
59.04980	1.9
61.02923	5.3
67.05493	2.2
69.03426	22.5
69.07059	4.5
71.04991	5.1
73.02940	4.6
79.05486	4.7
81.03413	11.0
81.07055	8.5
83.04970	7.0
83.08618	3.9
85.02907	67.9
85.06535	4.5
87.04477	20.7
91.03992	2.6
91.05488	5.9
93.07054	11.7
95.04983	18.4
95.08588	5.1
97.02905	18.0
97.06531	10.9
99.04473	7.7
99.08090	2.2
105.07016	9.7
107.08600	16.0
109.02876	11.2
109.06513	22.5
109.10161	8.4
111.08046	3.3
115.03932	100.0
115.07562	5.6
119.08601	8.3
121.06517	2.2
121.10156	22.0
123.08071	3.9
123.11752	2.2
125.09620	1.9
127.03922	35.5
131.08591	10.5
133.04970	29.6
133.10121	26.8
135.08067	6.4
135.11674	4.4
137.09631	4.9
139.11159	2.6
143.08521	2.4
145.04974	31.8
145.10120	5.5
147.11708	21.4
149.13269	7.7
151.11166	2.4
153.09097	13.6
158.10892	5.7
161.55774	2.1
163.06017	8.4
163.07393	1.7
163.14827	6.1
165.12700	4.2
171.10219	4.8
173.13251	30.9
177.05402	1.9
191.10715	3.9
191.14310	22.6
209.15372	44.3
209.17236	3.7
225.14807	2.4
227.16412	89.3
228.16789	2.9
237.07520	2.4
241.07143	2.3
259.08112	7.1
277.09171	31.8
359.09924	1.9
457.32336	2.5
467.22757	2.2
520.25171	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01873	1.8
55.05512	14.1
57.03445	1.4
61.02940	1.5
67.05502	2.2
68.79953	0.8
69.03426	7.4
69.07068	4.4
69.37376	1.6
69.37765	1.8
71.04996	1.1
73.02940	1.4
79.05506	3.1
81.03422	3.3
81.07058	7.5
83.04984	14.1
83.05436	1.1
83.08619	11.0
85.02911	16.2
85.06564	1.7
87.04482	3.1
91.03983	1.5
91.05489	3.0
93.07043	4.6
93.50087	0.7
95.04973	2.4
95.08623	2.8
97.02884	5.0
97.06541	2.0
97.10173	2.7
98.13666	0.8
99.04494	2.1
102.94140	0.8
103.03963	1.3
105.01886	1.4
105.07034	5.5
107.08607	11.3
109.02894	2.8
109.06535	2.1
109.10154	8.9
110.10470	0.8
111.08111	3.2
115.03941	18.3
115.55650	0.9
116.27970	0.8
119.08552	4.2
121.06497	0.9
121.10175	5.8
123.08063	1.2
123.11727	3.6
125.09623	4.5
127.03921	8.8
131.08618	2.0
133.04964	7.9
133.10136	6.2
135.08078	3.3
135.11671	1.3
137.09663	1.4
139.11171	1.5
143.10703	1.7
145.04953	10.5
145.05931	1.0
145.10141	2.4
147.11661	5.7
149.09647	1.0
149.13255	4.8
151.11182	18.0
153.09187	1.6
153.15509	0.9
159.11717	1.2
161.13312	2.0
163.06041	2.7
163.11142	1.3
167.14331	25.5
173.13281	3.0
179.14386	2.5
191.14294	7.2
201.16438	2.7
209.15370	100.0
210.15726	2.5
219.17464	3.6
231.04933	1.1
237.18604	2.2
249.65059	0.9
259.08188	2.6
277.09180	10.1
359.69519	0.8
498.79727	0.9
520.26617	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72908	0.6
53.03922	0.7
55.05503	1.2
57.03428	2.1
61.02914	1.8
67.05484	1.5
68.05020	3.4
69.03427	9.5
69.07085	0.9
70.06232	0.8
70.06593	9.2
71.04990	4.8
71.44832	0.7
72.04492	0.9
73.02921	0.8
79.05472	2.1
79.05899	0.7
80.05000	1.9
81.03419	2.9
81.07045	2.2
84.00146	0.7
85.02907	14.9
86.03260	0.7
86.09693	1.4
86.75900	0.6
86.80826	0.6
87.04459	2.6
87.09819	0.6
91.05442	0.7
93.07037	1.7
94.06570	2.4
95.04970	2.9
97.02911	4.7
97.06489	1.0
98.06064	2.8
99.04452	13.8
105.07038	1.6
107.08585	2.2
109.02862	1.4
109.06483	0.7
109.10150	1.0
112.07613	4.6
115.03934	2.5
116.07124	1.1
117.05470	0.9
119.08614	0.9
120.08103	1.3
121.10168	0.9
122.09679	2.5
125.09641	2.8
126.05532	0.8
127.03954	4.1
129.06981	0.8
132.08029	0.9
133.10121	0.8
136.11217	1.3
138.08212	1.0
138.09161	11.0
143.08575	0.7
144.38737	0.7
145.04942	2.8
146.09604	0.9
148.07608	1.7
153.09129	1.2
154.12283	1.0
155.01791	0.7
157.10193	0.7
160.07581	3.8
160.11209	0.7
161.06044	0.7
162.09103	1.5
164.10658	0.8
164.43497	0.6
165.01837	0.9
167.07050	5.3
173.13297	1.2
173.91782	0.6
176.10754	0.9
177.05602	1.1
179.07028	4.5
180.13841	1.6
191.14226	0.8
194.11818	0.8
194.15338	0.8
198.14912	1.3
202.12311	5.4
203.07079	0.9
204.10168	1.4
206.15416	1.0
209.15317	1.5
213.12320	1.4
219.06580	1.5
220.13348	6.7
221.08083	1.7
222.14882	1.0
224.16371	5.0
227.16338	0.7
230.11772	1.3
237.07532	1.4
238.17950	2.3
246.14917	1.6
246.18636	0.9
264.16013	7.2
264.19528	6.9
270.17166	0.8
271.07819	0.6
272.16473	2.8
290.14301	1.0
290.17551	17.8
296.18494	2.0
308.18585	2.0
310.17560	2.5
314.19617	21.2
322.20135	6.7
323.11145	0.8
327.14371	0.8
336.74457	0.7
340.21194	100.0
341.21503	2.9
355.13528	2.9
358.22128	9.4
407.22815	1.6
412.64517	0.7
502.26440	4.4
520.20959	6.8
521.20074	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65830	0.2
67.32571	0.2
68.05004	0.5
69.07070	1.1
69.50059	0.4
69.50462	0.6
70.06589	100.0
71.06918	0.6
74.64789	0.2
84.08139	0.2
86.09702	20.1
87.10072	0.2
98.06050	24.0
116.07088	11.0
126.05507	17.7
151.12321	0.6
155.15445	0.3
167.11804	3.3
167.15404	0.5
183.14917	7.3
186.29413	0.2
195.11278	9.1
211.12341	0.3
211.14407	9.4
213.12328	39.3
214.12779	0.3
229.82646	0.2
250.38171	0.2
256.78952	0.2
308.19717	3.7
308.23264	0.3
308.63733	0.2
310.17584	49.2
311.17902	1.1
340.21338	0.2
377.25500	0.2
405.24884	1.1
407.22864	25.6
408.23209	1.1
520.31311	16.6
521.31750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37107	0.1
55.05495	0.2
56.05033	0.6
57.03432	0.2
58.06627	0.5
59.07385	0.1
60.08165	6.4
67.05509	0.6
69.07069	0.3
70.06584	0.1
71.07375	3.1
77.27958	0.1
79.05512	0.1
81.07072	0.5
83.08603	0.1
86.09706	28.9
87.10033	0.2
93.07014	0.1
95.08620	0.4
98.98467	2.9
104.10745	2.8
105.07036	0.1
109.10165	0.1
125.00002	20.6
130.64729	0.1
143.01091	0.1
148.61589	0.1
151.67038	0.1
152.52753	0.1
184.07339	100.0
185.07709	0.6
244.95152	0.1
258.11081	0.2
334.12512	0.1
337.27332	0.2
491.35754	0.1
502.32907	0.8
520.34015	2.6
521.34021	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	520.3405
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05501	1.3
56.05041	1.4
57.03432	0.6
58.06602	1.5
59.07400	0.4
60.07871	1.0
60.08169	17.0
67.05508	2.9
69.07064	1.5
69.78729	1.5
71.07379	6.6
79.05507	1.0
81.07078	3.0
86.09711	51.9
93.07053	1.0
95.08608	1.9
98.98485	3.9
99.76810	0.5
104.10748	91.4
105.11110	0.7
109.10152	0.6
119.08620	0.6
125.00007	31.2
181.02846	0.5
184.07353	100.0
185.07698	0.7
238.17827	0.5
258.11096	1.1
337.27481	0.8
472.47498	0.6
493.51456	0.5
502.32907	7.6
520.33997	32.0
521.34174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.2
53.03953	8.5
55.01876	11.5
55.05508	6.6
56.96567	11.5
57.03448	10.8
57.07076	1.8
60.80676	1.3
61.02922	9.9
67.05502	10.7
68.99780	5.4
69.03065	2.6
69.03432	47.6
69.06812	5.8
69.07072	7.4
70.03774	1.9
71.05001	19.0
72.05345	2.1
72.91533	1.4
73.02923	9.3
79.05493	9.8
79.52222	1.3
80.47630	1.3
81.03421	46.6
81.03902	3.3
81.06622	2.3
81.07065	32.1
82.07395	2.4
83.01325	1.9
83.04984	4.3
83.08615	6.3
84.96019	6.0
85.02906	100.0
85.06527	2.1
86.03255	2.5
87.00830	33.1
87.04453	2.8
89.06052	1.5
91.03930	2.7
91.05474	13.1
92.05790	1.7
93.07050	23.3
94.07399	4.6
95.04953	6.4
95.08607	21.1
97.02894	38.9
97.06518	7.0
97.10200	3.3
98.97592	22.9
99.04451	21.9
99.08067	3.8
103.05464	4.0
105.01870	30.1
105.07025	20.3
106.07373	4.3
107.04961	12.8
107.08600	15.9
108.08948	2.4
109.02884	42.6
109.06527	4.9
109.10152	16.5
110.97574	7.9
111.04457	1.7
111.08086	5.6
112.08459	1.6
112.99186	2.2
115.03941	6.6
116.98605	9.6
117.01875	3.5
117.07020	3.5
118.08668	3.6
119.08578	14.5
120.08904	3.0
121.06508	11.0
121.10138	15.5
122.10470	3.2
123.04443	10.7
123.08069	2.9
123.11711	8.0
125.09627	10.9
126.09956	3.3
127.03918	67.4
127.11185	12.4
128.04289	4.0
128.11526	3.5
128.98610	10.9
129.01837	5.2
131.04893	7.3
131.08566	5.4
131.52304	1.5
133.10141	15.1
134.10458	6.8
134.99670	3.7
135.04422	14.4
135.08060	3.0
135.11691	6.4
136.11958	1.4
137.05977	17.5
137.09602	6.6
137.13211	1.9
139.07547	5.1
139.11215	1.5
141.06943	2.1
143.00200	5.2
143.10614	2.3
145.04953	26.4
145.10098	16.0
146.10501	5.2
146.99709	3.0
147.02921	3.1
147.04427	5.9
147.11703	10.8
148.12003	2.6
149.05983	10.8
149.09615	2.2
149.13271	5.3
150.13625	2.6
151.07547	13.1
151.11128	2.8
155.10669	3.3
158.99634	1.5
159.02890	22.2
159.08078	1.5
159.11722	10.3
160.12001	3.5
161.01210	7.1
161.05988	2.3
161.13266	4.0
163.03932	1.9
163.07542	2.0
163.11168	3.1
164.08325	5.6
164.11470	2.2
165.09196	1.9
167.10681	3.4
173.13226	3.0
174.13623	2.2
175.07567	4.1
175.14746	3.2
177.00685	3.3
179.08517	1.5
180.14560	1.5
183.07968	1.5
185.04460	2.9
189.00739	1.7
189.09090	1.6
191.07047	1.6
191.14316	4.3
191.18050	2.0
195.08076	3.6
196.08965	2.6
197.05873	1.7
198.06754	1.5
199.07417	1.8
201.00728	3.4
201.16420	10.0
201.52893	1.4
202.16693	8.3
203.17937	1.5
205.08661	2.0
209.15417	2.9
210.15921	1.7
212.08331	4.2
213.03903	3.1
213.09134	2.0
219.01750	12.6
219.06891	1.4
219.17453	28.7
220.17793	16.9
225.00777	1.5
227.10666	2.2
227.16350	3.0
231.05028	9.5
237.02806	15.1
237.07884	2.5
237.18535	11.8
238.18896	7.9
241.08659	3.8
242.09471	1.9
249.05901	1.9
255.10133	2.3
255.19582	1.8
258.08725	2.5
265.05182	1.6
273.11209	79.1
275.12802	2.2
277.08923	1.5
281.06955	10.9
283.09616	6.1
285.11121	11.3
295.09610	6.0
297.11166	15.5
299.08017	11.1
305.24731	4.1
307.09689	1.7
309.11185	3.0
311.12866	3.1
315.12244	11.6
321.11316	2.3
323.25784	5.5
327.11969	1.8
339.12180	5.0
363.12302	3.3
381.13333	9.0
382.16718	1.8
407.10068	22.2
408.10669	2.0
425.11127	19.7
448.12711	3.4
478.52136	1.7
483.77509	1.4
503.27280	1.5
520.28271	5.1
521.13544	4.7
521.19659	4.7
521.26984	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	521.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81941	1.2
53.03951	11.0
55.01876	11.4
55.05518	1.7
57.03432	6.1
61.02919	8.4
63.99426	1.3
65.03942	3.7
67.05508	2.4
68.99786	6.5
69.03429	54.6
69.07066	1.6
69.88698	2.5
71.04996	5.6
73.02916	8.6
79.05511	3.5
81.03419	45.2
81.07062	3.1
85.02908	100.0
87.00835	33.1
87.04470	2.3
91.03947	3.4
91.05483	4.9
95.04979	2.1
97.02898	26.2
97.06548	1.9
99.04455	18.5
101.02385	2.1
103.03953	4.2
103.05454	3.4
105.01869	22.9
105.07037	5.1
107.04963	12.9
107.08651	1.5
109.02884	44.8
109.06538	2.0
110.79186	1.6
111.04456	2.2
117.01852	5.3
117.37648	1.3
119.04963	1.8
121.02871	46.7
121.03838	2.1
121.06513	3.9
123.04424	4.5
123.30417	1.5
124.05198	1.4
127.03917	78.9
129.01849	7.0
131.04950	5.4
133.06511	6.7
135.04428	8.3
135.08055	2.1
137.05995	11.2
138.06772	1.5
139.07564	4.4
141.06985	1.5
145.04965	31.2
145.10144	1.6
147.02893	7.3
149.06018	8.0
151.07576	6.7
159.02899	31.4
163.07538	1.6
164.08382	3.8
167.07062	3.9
170.07320	2.1
173.06059	2.0
177.03990	1.7
181.06418	1.7
186.06895	1.5
189.03935	2.4
195.08032	2.9
201.09155	2.7
201.33147	1.5
205.06592	1.6
212.08392	2.1
213.03964	3.7
219.08014	3.4
223.07767	1.5
227.10667	3.0
229.08662	4.6
231.05020	14.8
231.08017	2.5
231.10178	3.0
247.07635	4.4
248.08435	3.0
255.10149	2.4
257.11844	2.1
262.09857	2.1
263.10791	2.8
264.07932	2.0
273.11209	81.1
274.11591	1.9
275.07016	2.3
283.09622	3.2
285.11230	7.6
290.09369	1.7
291.10196	6.2
293.08090	3.2
295.09622	1.7
297.11212	7.8
307.09360	2.0
308.10101	1.7
315.12256	8.8
319.09494	2.9
323.12793	3.4
336.09839	2.0
337.10800	1.5
339.12405	2.2
342.73047	1.4
351.12292	7.9
353.10193	3.6
363.12253	2.8
368.12509	4.6
381.13583	6.7
383.14859	41.5
388.20990	2.4
420.57208	1.7
506.73895	1.4
521.29260	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	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.2
51.02399	0.3
52.03147	0.1
52.46782	0.1
53.03947	0.2
55.01879	0.3
57.03419	0.1
60.05643	0.1
63.02369	0.1
64.21281	0.1
65.03943	0.1
69.03424	0.3
69.88755	0.2
70.06593	4.6
71.06320	0.1
71.06924	0.5
75.02349	0.1
77.03909	0.7
79.05497	0.9
81.03395	0.2
81.07045	0.1
84.08080	0.1
85.02908	1.0
86.09705	1.0
87.10056	0.2
90.04755	0.1
91.05474	0.8
94.04192	0.1
95.04962	1.6
97.02895	0.4
98.06046	1.1
99.04425	0.1
99.06367	0.1
102.04611	0.3
103.05466	55.2
104.05791	0.7
105.03436	0.1
105.04530	0.7
105.07026	6.8
106.07378	0.1
107.04958	0.4
109.02861	0.1
115.05454	1.5
115.06229	0.1
116.07098	0.6
118.04183	0.3
119.04945	1.0
121.06516	0.1
122.03648	0.2
126.05515	0.7
127.03938	0.4
127.05817	0.1
128.06236	0.1
129.06995	0.1
130.04179	0.1
131.04926	100.0
132.05206	1.3
133.06482	5.9
134.06807	0.1
135.73523	0.1
137.05972	4.8
138.06345	0.1
143.06062	0.8
144.05675	0.1
145.04974	0.2
145.06400	0.1
146.07240	0.1
147.04417	1.2
147.08055	0.2
148.05238	0.1
149.06013	0.2
151.07567	0.2
159.08052	0.3
160.05234	0.1
161.05972	16.1
162.06412	0.3
163.07536	29.4
164.07870	0.4
164.33197	0.1
167.11789	0.2
168.12071	0.1
171.04350	0.1
172.05164	0.3
175.07523	1.3
179.07036	0.9
183.14873	0.3
184.15201	0.1
187.07538	1.8
189.09023	0.1
190.07822	0.1
191.08618	0.2
195.11186	0.3
196.11644	0.1
199.07620	0.2
202.07616	0.1
203.08620	0.1
211.14436	0.3
212.14668	0.1
213.12308	1.4
214.12694	0.7
217.08533	0.4
219.08038	0.2
220.08774	0.1
231.08102	0.1
247.07452	0.1
251.10632	0.6
259.07498	0.1
263.10565	0.1
264.07733	0.1
279.10156	0.7
291.10114	0.7
297.11316	0.1
309.20239	0.1
310.17612	1.3
311.09311	0.1
311.12732	1.4
311.17871	1.2
313.14365	0.1
323.12961	0.3
340.21384	0.1
341.13733	0.1
341.21533	0.3
407.22870	0.5
408.23221	0.9
503.27063	0.1
521.31836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57364	0.6
70.06579	0.9
70.56640	1.0
79.51677	0.6
84.08154	0.8
100.11279	0.7
108.07325	0.7
120.08129	1.0
127.03930	1.1
131.08641	0.7
133.10213	0.7
157.19525	0.6
164.25317	0.6
185.04234	6.7
204.46582	0.6
212.08305	0.7
241.99191	0.6
251.30554	0.6
359.21979	4.2
477.23022	0.8
480.77386	0.8
500.98392	0.9
520.87524	0.8
521.27240	100.0
522.27405	4.0
524.80579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42143	2.1
55.01871	5.2
55.05515	12.2
57.03435	3.5
57.07072	6.2
61.02903	2.6
65.03944	3.0
67.05506	31.0
68.05783	2.6
69.03450	16.1
69.07066	28.0
69.19046	13.6
71.04996	25.9
79.05485	19.4
80.01350	2.0
80.05005	2.4
81.03427	6.5
81.07058	78.8
83.04999	5.8
83.08625	9.4
85.02911	25.3
85.06554	10.8
87.04470	5.8
91.05499	14.9
93.01665	2.2
93.07041	43.0
94.07398	3.3
95.04967	20.4
95.08608	53.8
95.57957	2.1
96.05311	4.1
97.02895	9.3
97.06545	10.8
97.16996	2.4
98.22746	4.2
99.04462	5.4
99.08112	6.2
100.04806	3.4
105.07018	22.8
105.85624	2.1
106.07452	2.2
107.08600	48.3
108.08894	2.7
109.02892	7.4
109.06528	12.0
109.10160	43.8
111.08083	48.3
111.11723	4.3
113.31931	2.5
115.03954	10.4
119.08586	20.1
120.08856	2.9
121.06532	6.3
121.10140	31.3
122.06796	3.9
123.08077	4.6
123.11710	68.6
124.11996	2.8
125.06002	3.2
125.09637	4.5
127.03925	8.7
127.07647	2.5
127.11208	8.0
131.08582	24.3
132.08890	15.8
133.04994	3.2
133.10126	19.8
134.10472	4.2
135.08061	3.7
135.11688	20.4
137.09644	5.2
137.13248	13.9
139.11197	11.7
141.12788	3.0
143.08627	4.6
145.04971	3.8
145.10175	15.7
146.10435	3.3
147.11673	14.7
149.09657	9.4
149.13298	11.1
150.09921	3.9
151.11134	16.1
153.09140	4.7
153.12714	13.5
154.09465	2.7
155.99199	2.2
157.10121	5.6
157.12222	3.1
159.11690	11.0
161.13297	8.9
163.11226	7.8
163.14819	4.7
164.11566	2.4
165.12735	8.9
167.14349	2.6
169.12260	5.3
173.13297	13.2
174.13696	3.5
175.14842	8.1
176.15271	3.0
179.14386	14.6
181.12215	4.3
185.13292	2.7
187.14847	2.5
189.16432	5.5
191.10699	5.2
191.14359	6.6
191.18141	2.5
192.11008	2.9
192.14626	3.6
201.16437	9.0
209.11748	20.6
209.15355	16.1
210.12019	19.5
210.15645	12.1
213.16408	4.6
215.17941	3.1
217.19652	2.4
219.17458	3.9
223.16988	3.1
231.17302	3.3
235.20552	6.7
237.18465	2.6
269.22705	7.8
275.23703	5.4
287.23679	24.2
293.24704	15.5
305.24753	100.0
306.25195	4.5
323.25790	61.3
324.26111	3.6
341.26828	11.0
437.66061	2.8
521.15668	5.3
521.26483	18.1
522.23798	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	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11198	0.8
55.01872	2.5
57.03436	3.8
61.02936	2.1
69.03428	12.7
69.87591	2.5
70.06233	1.7
70.06590	20.9
71.06914	2.3
72.08144	2.1
73.02909	3.0
81.03399	2.2
84.08141	3.4
85.02901	38.3
86.09711	4.0
87.10062	1.0
91.03932	0.9
91.05481	11.6
93.03410	1.2
97.02886	14.3
98.06047	5.3
98.23412	1.1
99.04451	3.4
101.02357	1.6
103.05476	2.9
105.07070	1.2
107.04952	13.3
109.02888	3.5
111.04446	3.7
115.03911	1.9
116.07080	0.8
119.04919	6.8
120.08084	0.8
126.05516	2.7
127.03912	24.3
129.10266	2.3
131.04926	7.5
132.05260	1.3
133.06514	0.9
135.04410	7.1
137.06015	4.6
139.03896	15.7
145.02992	0.9
145.03854	1.5
145.04956	23.4
161.05992	2.6
162.12863	1.1
163.03899	100.0
163.06055	7.1
163.07530	3.5
164.04256	1.0
181.04942	77.8
193.08578	1.9
195.11305	0.9
213.12311	2.8
214.12602	1.3
245.11096	0.9
259.08316	0.9
271.08115	1.1
279.87448	0.9
289.09210	1.7
310.17746	2.5
311.17874	3.5
316.19186	1.5
390.22708	1.0
408.23257	1.5
409.23492	1.0
504.26694	2.3
522.19922	1.4
522.27789	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	9.4
53.04161	1.7
54.76966	1.5
55.01873	9.1
57.03433	4.9
61.02914	6.9
68.99794	3.1
69.03426	23.7
71.04981	4.0
71.58002	1.7
73.02917	10.6
81.03420	30.1
85.02405	3.6
85.02905	64.5
87.00821	27.6
91.03959	2.9
91.05490	16.2
97.02888	24.1
99.04449	12.8
105.01862	17.0
105.07034	5.6
107.04951	23.3
109.02888	25.1
115.03912	3.7
115.05457	3.2
117.01842	5.3
119.04955	16.6
121.02877	3.7
121.06506	3.2
126.37625	2.1
127.03913	36.1
127.58041	1.6
129.01884	3.5
131.04922	5.2
133.06487	4.4
137.05978	3.3
139.07487	2.6
145.04961	18.2
145.06461	9.9
147.02907	2.6
149.05936	2.9
151.07552	10.3
159.02873	16.9
161.05969	2.9
175.07549	5.3
177.09120	4.8
188.08350	4.3
189.03932	2.3
189.09122	6.1
193.08594	8.3
201.09076	2.1
205.08604	5.4
217.08556	3.9
219.08017	2.1
221.05974	1.7
222.10226	1.9
223.07582	2.8
225.09050	2.3
227.10620	7.8
231.05070	5.7
233.05869	2.5
237.09029	2.1
238.09851	3.0
242.09285	2.2
248.08336	4.6
249.09071	3.7
250.09914	4.2
251.07076	3.2
253.12180	9.0
257.11697	41.7
259.09702	2.8
261.08929	2.8
266.09381	9.5
267.10147	3.8
269.11676	19.0
271.12997	2.4
278.09528	2.4
279.10162	21.6
281.11713	100.0
282.12045	2.3
283.13153	8.1
291.10165	4.0
293.11795	9.3
295.13278	3.4
299.12759	16.5
304.11163	3.2
305.11746	7.3
311.12823	5.4
319.13272	8.6
323.12796	9.8
329.11636	3.4
347.12708	20.1
365.13855	11.7
451.13849	5.7
469.15036	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	522.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01865	1.1
57.03430	0.6
61.02919	0.6
68.99791	0.4
69.03432	2.8
69.80662	0.8
71.04987	0.4
73.02914	0.8
81.03417	2.6
85.02904	7.9
85.03418	0.5
87.00821	3.0
97.02895	2.8
99.04446	1.3
103.03896	0.3
105.01847	2.2
105.07026	0.3
109.02880	2.3
115.79407	0.2
117.01873	0.2
121.06495	0.3
127.03918	5.5
129.01778	0.5
131.04941	0.3
145.04955	3.4
147.02858	0.4
148.87547	0.2
159.02876	1.8
165.07002	0.5
168.09387	0.3
169.10132	0.3
176.88441	0.2
177.04030	0.2
178.07751	0.5
179.08539	3.1
181.06450	0.5
181.10181	1.1
182.07257	0.9
183.08022	0.4
183.11775	0.3
189.03929	0.6
195.08096	0.4
196.08832	3.0
197.09602	3.0
199.07460	0.2
207.08076	1.4
208.08800	1.0
208.20944	0.2
209.09651	0.4
210.06747	0.7
211.07643	0.5
211.11180	6.9
213.03954	0.3
214.09850	0.5
221.09619	0.5
223.07602	0.3
223.10907	0.4
224.08342	3.7
225.09093	8.1
226.09874	3.9
227.07065	1.5
227.10503	0.5
229.08673	0.3
229.12221	1.4
231.04996	0.9
237.09013	0.3
238.09854	0.6
239.10663	10.5
240.07707	0.3
240.11365	0.4
241.08749	0.3
242.09377	5.8
242.11914	0.3
248.07726	0.2
249.08987	0.5
250.09872	0.3
251.10641	0.3
252.07916	0.8
253.12299	1.1
255.10168	0.9
257.11716	100.0
258.12091	2.9
266.09247	1.0
267.10162	6.1
268.10672	0.3
277.12286	0.2
281.11710	9.7
282.12146	0.4
293.11630	0.5
295.13553	0.3
299.12772	2.1
319.13287	0.6
323.12799	3.5
347.12778	1.4
365.13788	2.4
410.20273	0.2
440.19907	0.3
469.15088	0.5
487.16095	0.5
510.67816	0.2
522.19861	0.7
522.26941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01871	9.9
57.03438	9.0
61.02930	3.0
63.47736	0.9
66.42803	0.9
69.03430	34.8
71.04990	2.4
71.48197	0.8
73.02924	6.2
80.82371	0.8
81.03429	3.4
85.02905	100.0
97.02895	36.7
99.04456	10.3
101.02375	6.1
106.65134	1.1
106.70935	0.8
109.02878	6.5
115.03942	3.6
119.03661	0.9
123.15447	0.9
127.03915	81.6
128.04243	0.9
145.04955	75.7
163.06015	27.7
182.00159	0.9
186.21014	0.9
223.05997	1.5
241.06963	1.9
253.07141	1.9
259.08133	3.3
271.08252	2.7
289.09247	6.2
325.11288	4.7
388.24591	0.9
512.74054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01867	3.1
55.05526	1.5
57.03435	2.7
61.02924	4.9
67.05507	1.5
69.03430	22.2
69.18484	8.9
70.06588	2.3
73.02916	8.4
79.05477	3.8
81.03415	13.5
81.07027	1.7
82.39484	1.8
85.02905	66.5
87.00825	1.9
87.04457	11.1
91.03961	4.0
91.05481	7.0
92.05835	1.7
95.04967	1.5
95.08631	2.2
96.08119	1.3
97.02889	21.8
98.23569	2.6
98.46856	1.6
99.04449	7.0
100.11266	2.1
101.02396	1.8
103.03957	10.3
103.05479	5.0
105.07030	100.0
106.83261	1.2
107.04958	2.8
109.02869	8.9
109.32756	2.0
111.04408	1.5
115.03932	30.6
121.02887	8.7
121.06490	2.0
122.03262	2.8
123.08061	1.9
127.03912	33.5
133.04959	7.3
135.08075	1.7
136.08789	1.8
137.05936	8.5
145.03836	2.3
145.04964	43.5
147.62267	1.4
151.07549	28.5
157.04951	8.2
163.06000	3.8
167.07109	1.7
175.06007	5.5
175.07423	1.3
185.09801	1.7
214.13078	2.1
217.07080	4.3
227.14282	4.2
228.14688	6.2
229.12234	56.1
253.12239	8.3
255.13835	1.9
256.14243	3.8
259.08063	8.5
265.12280	4.7
266.13959	1.4
271.13223	8.6
274.15158	1.8
275.10419	1.5
277.12006	1.5
295.13251	15.4
295.30396	1.4
319.13098	12.7
337.14481	11.1
355.15356	4.0
378.25021	1.4
383.14740	4.1
384.15192	13.2
406.64603	1.5
522.17957	3.0
522.30157	2.1
522.40637	2.0
527.95435	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67664	0.6
53.51295	0.5
55.05511	4.2
57.03429	2.2
57.07076	1.2
60.04519	0.6
62.98248	1.5
67.05504	6.8
69.07072	3.8
71.43604	0.8
79.05488	2.1
81.07056	6.7
83.08622	1.7
86.09705	0.6
87.25544	0.5
88.03988	1.4
91.05466	1.1
93.07047	2.0
95.08599	2.8
95.73253	0.6
97.10170	0.7
98.98458	1.4
106.04985	1.4
107.08606	0.9
109.10155	1.6
121.10132	0.8
123.11707	0.8
124.93769	73.7
139.44400	0.6
142.94809	14.3
167.97971	40.2
172.77498	0.5
176.99277	1.7
184.07375	1.9
185.07523	0.8
185.99022	14.6
186.07832	0.6
198.97433	4.6
211.57463	0.7
337.27356	25.8
338.27872	0.8
350.26971	1.3
388.41562	0.7
448.21158	0.7
461.20343	13.4
466.21503	0.6
479.21475	2.8
522.25647	100.0
523.26123	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	522.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01865	0.8
55.05518	12.1
57.03182	0.8
57.03441	8.2
57.07068	1.5
57.21352	0.4
60.04512	1.1
60.08172	3.5
62.98260	1.5
63.78109	0.5
65.03944	0.5
67.05507	26.1
69.06718	1.3
69.07070	16.3
69.95258	1.1
69.95600	1.2
71.05006	0.9
71.07363	0.8
79.05099	0.6
79.05503	6.6
81.07061	25.9
83.08622	6.5
83.54483	0.6
85.02903	0.5
85.10153	0.7
86.09711	12.0
87.10037	4.0
88.03999	5.8
88.34555	0.5
91.05482	5.2
93.07048	7.0
95.04975	0.7
95.08611	19.5
97.06528	1.3
97.10165	3.9
98.22773	0.7
98.98471	6.3
104.10728	2.6
105.07048	3.4
105.11082	0.9
106.05022	1.0
107.08575	4.6
109.10151	7.3
119.08572	2.0
120.46223	0.6
121.10136	2.8
123.11709	2.4
124.93781	4.7
124.99997	7.6
126.00317	0.9
127.00432	1.5
127.03935	1.1
133.10139	2.4
135.11699	2.0
137.09621	0.6
137.13254	0.9
147.11697	1.1
149.13150	0.6
155.01068	0.9
161.13281	1.3
167.97986	6.0
173.02109	1.5
175.14845	1.1
184.07350	33.0
185.07701	12.6
186.07784	9.0
198.97501	1.0
226.53497	0.5
251.28778	0.6
263.23691	1.5
294.76721	0.6
304.26517	0.5
337.27374	100.0
338.27646	3.3
350.26883	2.2
376.52701	0.5
404.00165	0.5
461.20377	12.7
462.20862	0.7
504.33054	0.7
522.25684	13.3
522.33820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36884	0.5
53.03939	0.5
54.69453	0.5
55.05514	10.2
57.03442	5.8
57.07061	1.3
60.04512	1.0
60.08163	5.2
61.08492	0.8
64.02467	0.6
65.30838	0.5
66.82767	0.5
67.05508	21.2
69.06712	0.7
69.07072	13.0
70.74427	1.0
71.04980	0.6
71.07368	2.7
71.08614	0.6
75.02960	0.4
79.05499	5.3
81.07056	22.8
83.04974	0.8
83.08624	6.8
86.09707	22.3
87.09480	0.9
87.10033	7.2
88.03983	5.4
88.10407	0.5
91.05494	3.9
93.07042	6.4
95.08609	15.5
97.06522	1.7
97.10165	3.3
98.98466	7.0
104.10728	1.7
105.07029	3.5
105.11086	0.8
106.05038	1.1
107.08586	3.5
109.10143	5.9
111.08115	0.6
111.11683	0.7
119.08588	2.2
121.10151	2.0
121.99982	0.5
123.08016	0.7
123.11694	2.1
124.93777	1.2
125.00006	14.5
126.00342	2.2
127.00421	1.9
127.03948	0.5
127.98305	0.4
133.10115	2.6
135.08073	0.6
135.11687	0.9
135.74887	0.5
137.09593	0.5
137.13248	0.9
137.44408	0.5
145.04919	0.6
147.11719	2.3
149.13246	1.0
155.01033	1.2
163.14812	0.7
173.02075	1.1
175.14821	0.5
179.56229	0.6
184.07343	65.2
185.07693	25.3
186.07774	15.0
198.97473	2.2
245.22746	0.9
260.05396	0.8
263.23755	0.7
328.97275	0.6
337.27359	100.0
338.27753	2.6
350.26917	2.0
378.96286	0.5
442.50272	0.5
491.18460	0.5
504.33572	0.8
522.25751	2.4
522.34680	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01861	6.2
55.05507	11.6
57.07071	4.8
59.04986	4.2
61.02895	3.5
66.92596	4.8
67.05516	24.5
69.03423	20.9
69.07071	21.5
70.05119	9.6
71.04992	18.5
73.02887	4.7
79.05492	20.0
81.03403	11.6
81.07059	90.4
83.04971	12.6
83.08603	13.8
85.02917	37.6
85.06545	9.5
87.00821	8.0
87.04469	8.5
91.05479	22.7
93.07050	43.2
95.05003	9.3
95.08611	51.4
95.35743	3.8
97.02903	8.3
97.06528	16.0
99.04467	4.9
99.08071	4.6
100.12435	3.8
101.02373	6.5
105.01884	10.8
105.07030	63.2
107.04956	5.8
107.08605	45.8
109.02880	9.4
109.06510	4.8
109.10160	66.2
111.04442	39.9
111.08077	6.0
115.03948	31.4
115.07594	9.3
117.07033	7.3
119.08586	100.0
121.02878	12.7
121.06514	13.9
121.10146	23.2
122.03156	5.7
123.04409	4.7
123.08024	5.6
123.11714	30.2
125.09607	5.8
127.03928	27.2
127.11190	39.4
129.05476	7.3
133.05005	9.0
133.10118	44.1
135.11693	72.6
137.09677	8.2
137.13249	9.0
139.11195	4.8
140.10693	4.4
142.12302	5.5
143.10686	5.1
145.04974	14.4
145.10072	5.3
147.11673	30.8
149.13251	12.4
159.02872	5.2
161.13231	19.2
162.48648	3.9
163.14906	5.3
165.12704	4.5
175.14828	33.6
188.83878	4.2
193.15869	40.3
203.17976	62.2
211.16902	52.2
221.15376	15.6
221.18994	56.7
229.17882	6.1
239.16458	42.5
239.20094	12.8
246.14813	8.3
257.17441	7.1
259.08014	6.7
277.09088	9.5
383.14767	5.4
384.15128	20.4
443.91046	4.3
522.25995	9.4
523.19885	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.05508	9.9
56.83710	2.4
59.04985	1.9
61.31869	2.2
67.05517	10.7
69.03429	8.3
69.07063	14.2
70.06589	3.5
71.05000	18.0
71.44142	2.8
73.02869	2.3
79.05498	25.2
81.03405	5.4
81.07059	100.0
82.84452	2.0
83.08636	4.1
85.02906	21.0
86.09710	2.4
87.00813	10.6
91.05482	15.2
93.07042	41.5
95.05007	2.7
95.08606	25.6
96.11788	2.0
97.02880	6.5
97.06553	3.2
97.10162	3.7
98.97601	4.3
99.04469	4.1
99.08092	3.8
104.99297	4.9
105.01878	21.2
105.04491	2.3
105.07030	44.6
107.07923	4.3
107.08596	54.4
109.02906	2.3
109.10159	41.8
111.08095	2.1
111.11754	3.4
116.88492	2.3
117.07047	4.0
119.08583	86.4
121.10151	10.9
123.11699	22.6
125.09644	3.9
127.03904	11.8
127.11192	26.4
131.08556	3.0
133.10123	39.1
135.11697	99.7
136.06410	2.0
137.09645	2.2
137.13255	5.0
139.11211	2.7
142.77901	2.1
143.10677	17.2
145.04979	4.1
145.10118	2.5
147.11690	25.3
149.13235	5.6
153.09096	4.3
153.12720	8.0
159.02831	2.2
159.11852	2.0
161.13234	16.7
163.14861	6.1
165.12773	2.6
175.14813	2.4
177.16402	3.6
203.17958	82.7
203.19870	4.1
213.12628	2.2
221.18997	69.8
231.04951	5.3
249.06062	3.7
256.22815	2.4
266.11707	2.4
277.41254	2.3
289.17938	2.5
372.63074	2.4
440.20294	8.9
462.17160	8.3
488.24857	2.7
522.23627	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.0
59.05005	5.7
66.26945	4.0
67.05506	12.1
68.98607	3.3
69.03431	4.4
69.07063	38.7
69.54286	3.9
71.04971	3.4
71.44208	3.3
75.38937	4.4
79.05477	17.9
79.43555	4.1
81.07059	100.0
83.08628	9.6
83.65066	4.1
85.02914	9.3
91.05457	7.6
93.07045	24.0
95.08607	40.5
97.02937	4.4
97.06519	5.8
105.07026	31.3
107.08595	32.8
109.06490	5.6
109.10136	30.3
118.83929	4.1
119.08554	34.0
121.10139	23.3
123.11685	21.4
125.09629	4.4
125.65959	4.1
127.03955	4.0
133.10127	23.1
135.11719	13.4
137.09625	6.9
138.06270	4.7
139.11134	5.5
145.04958	3.4
145.10075	5.4
147.11656	30.2
149.13290	21.4
153.12740	10.5
161.13269	9.5
163.14801	10.4
165.12796	14.9
174.83922	3.8
200.96483	3.8
203.17931	39.4
211.64740	3.5
221.19011	57.1
270.31784	3.5
300.29800	4.1
344.66949	3.7
437.18802	3.9
440.20413	7.0
522.27271	11.6
523.20721	5.5
523.28522	4.6
532.63617	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	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.8
55.05511	9.1
57.03206	3.3
57.03444	28.2
59.05009	3.1
61.02926	11.7
67.05511	5.9
69.03438	24.6
69.07066	11.8
70.06584	3.3
71.01357	4.2
71.04983	4.1
71.45161	3.4
73.02915	38.4
79.05501	10.7
81.03424	7.8
81.07033	15.7
83.04977	11.3
83.08664	3.5
85.02912	65.0
85.06554	5.1
87.04476	7.9
89.03954	4.2
91.05496	11.2
93.07033	14.6
95.04984	12.3
95.08611	18.0
97.02892	20.0
97.06538	5.1
99.04462	6.7
103.03924	6.7
105.07017	24.9
107.08604	28.3
109.06532	9.9
109.10164	16.2
111.04453	6.2
111.08062	7.1
115.03929	27.2
117.07050	5.6
119.08591	61.8
121.06510	4.9
121.10132	26.9
123.08057	7.2
123.11746	4.2
125.06025	3.0
127.03941	12.2
129.05516	9.3
131.08553	13.7
133.04968	10.5
133.06569	3.4
133.10138	44.3
134.06058	8.5
135.08025	4.6
135.11714	9.3
136.11227	3.0
137.05972	4.6
138.78435	3.0
139.07567	5.9
139.11285	3.2
143.07027	3.4
143.08563	5.4
144.09370	3.0
145.02898	3.6
145.04961	7.8
145.10141	20.6
147.06563	16.9
147.08066	6.0
147.11691	31.6
149.09639	6.2
149.13344	3.2
151.07573	4.3
157.10162	8.8
159.11736	17.3
161.08211	3.1
161.09628	6.3
161.13287	4.8
163.03882	21.8
164.07065	4.2
165.12779	8.1
167.14374	4.2
169.05092	3.0
169.10120	7.6
171.11694	8.2
173.08128	3.4
173.09595	6.6
173.13264	34.9
175.14827	100.0
177.16322	3.1
183.11710	4.3
185.13194	13.6
187.11224	6.4
187.14886	25.1
189.16411	6.2
191.14360	9.4
193.15900	24.6
197.13271	4.9
199.14877	11.6
201.12775	3.7
203.14389	5.1
205.15808	2.9
209.15381	11.1
211.14824	6.5
215.10603	3.6
217.15878	10.9
225.16388	4.9
227.12727	4.1
227.16371	3.6
229.12262	4.9
229.15936	8.7
235.14856	3.8
235.16963	4.6
241.15933	5.1
247.16861	4.1
253.15944	6.8
259.16931	9.2
260.47891	3.1
265.09641	3.2
269.13879	4.4
271.16913	31.5
271.68942	2.9
277.18124	3.7
277.68057	3.0
289.18008	53.6
307.19049	97.9
311.10095	3.1
325.20087	24.4
417.31714	3.2
451.23282	4.7
469.24835	5.1
490.15891	5.5
522.19214	8.3
522.26581	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	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	1.1
54.44668	1.0
55.01867	1.5
55.05525	1.5
57.03436	6.2
59.05014	1.3
60.97980	1.0
61.32288	1.2
62.12074	1.0
67.05500	1.3
69.03430	26.6
69.07066	2.7
70.06585	1.7
71.44314	1.0
72.08144	3.9
73.02926	2.1
74.42570	1.0
79.05488	2.5
81.03428	1.5
81.07056	6.3
84.08171	1.3
85.02907	18.4
85.06529	1.4
86.09708	3.2
87.04475	17.2
88.07909	1.0
90.91669	1.3
91.05469	8.2
93.07045	7.4
95.08604	12.5
97.02888	26.4
99.08100	4.7
104.99274	2.0
105.07047	8.4
107.08588	8.5
109.02895	1.5
109.10182	1.7
113.09654	2.4
115.03125	1.7
115.03934	30.5
115.04707	2.0
117.07005	1.6
119.04956	5.2
119.08582	44.9
120.08125	3.5
121.06428	1.3
121.10126	1.4
123.08133	1.4
123.11718	2.5
127.03951	5.1
131.08607	1.1
133.04976	24.9
133.10130	87.2
134.10500	1.7
135.11682	19.0
137.05995	4.4
137.09613	1.8
145.04956	3.9
145.10077	1.2
146.06029	2.7
147.04356	1.3
147.11691	2.8
150.07634	5.4
151.07565	3.6
161.05992	3.5
173.13196	1.7
175.14827	100.0
176.15164	2.6
177.15582	1.8
179.07056	3.3
193.03166	1.4
193.15880	25.2
198.97035	1.4
209.08150	1.6
211.16934	87.4
219.06354	1.3
222.08923	1.2
259.08139	2.5
264.66302	1.1
277.09274	1.5
285.54691	1.3
291.10162	1.5
295.10266	2.3
300.99225	1.1
309.11172	6.2
341.13782	5.0
408.03296	1.6
412.19339	1.2
440.20526	9.1
522.22919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01863	0.8
55.05517	2.7
57.03439	0.4
58.06594	1.4
60.08165	13.6
65.03942	0.7
67.04230	0.7
67.05511	7.1
68.05038	1.9
69.03422	1.1
69.05807	2.9
69.07071	3.4
69.46695	1.3
71.04996	0.5
72.79074	0.4
74.08457	0.4
79.05497	5.3
81.03426	1.1
81.07066	4.6
82.05313	0.5
83.08621	0.7
85.02909	0.9
86.00655	0.8
86.09655	0.4
90.71891	0.4
91.05486	5.4
93.07055	4.8
95.04966	2.4
95.08615	4.9
97.02920	0.7
97.06541	0.7
97.10159	0.7
98.23492	0.6
99.01426	1.5
100.02217	1.9
105.04503	0.4
105.07030	5.2
105.55019	0.4
107.04944	1.4
107.08592	2.9
109.06513	0.6
109.10168	2.6
113.01711	5.1
113.10773	0.6
114.02536	1.0
115.03332	0.5
117.07053	1.8
119.08589	3.3
121.02883	1.3
121.06518	1.0
121.10161	2.3
122.77244	0.4
123.08078	0.8
123.11779	0.6
125.01717	1.5
126.01554	0.6
126.02486	13.6
127.03259	36.5
129.04802	0.7
129.07013	0.4
131.08582	1.6
133.10120	2.0
135.08049	1.0
135.11717	0.8
137.09636	1.0
139.11198	0.8
143.02806	1.1
144.03510	0.6
145.04295	31.0
145.10133	1.2
147.11731	1.5
149.09636	0.9
153.04782	0.7
157.06691	1.3
159.11691	0.8
161.13277	0.6
163.11189	0.7
170.07474	0.9
171.02275	0.8
173.13280	0.5
181.07948	1.1
184.09032	2.7
185.09827	30.4
186.10629	3.8
230.09491	0.4
231.14651	0.5
235.12660	0.9
237.14462	0.4
242.13449	0.4
247.20735	0.5
256.09036	0.4
263.12177	0.6
275.20053	1.5
281.13309	0.7
311.14240	0.8
383.14880	0.5
384.15341	2.0
391.02393	0.4
401.22440	0.5
419.23575	5.8
435.23508	0.4
463.22354	0.6
472.17847	0.4
478.30984	100.0
479.31274	3.0
511.28238	0.5
522.22729	0.4
522.29993	8.5
523.19257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.03974	0.4
52.21129	0.4
55.05500	1.5
56.05027	1.3
57.07056	0.7
58.06602	1.6
60.08163	16.6
67.05501	1.3
67.29472	0.4
68.45647	0.3
69.07073	2.5
69.27714	1.3
69.28117	0.9
70.34171	0.3
71.07375	6.3
72.56025	0.4
73.27688	0.4
76.24049	0.4
79.05468	0.5
81.07054	1.1
83.08604	1.2
86.09705	48.5
93.07033	0.6
95.08582	0.9
98.98479	2.8
104.10741	100.0
109.10166	0.4
121.10147	0.6
125.00004	28.4
135.11729	0.5
163.01538	0.6
184.07339	100.0
209.62367	0.4
258.10968	1.1
339.28839	1.0
445.27258	0.4
473.65652	0.4
504.34479	9.5
522.35529	37.5
523.35931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15725	0.1
55.05506	0.3
56.05041	0.6
57.03428	0.2
57.07055	0.1
58.06378	0.2
58.06623	0.3
59.07402	0.2
60.08163	5.7
67.05491	0.2
69.07073	0.3
69.73430	0.5
71.07368	2.9
81.07064	0.3
83.08629	0.2
86.09704	29.0
87.10023	0.2
95.08613	0.1
98.98459	3.0
104.10738	2.9
108.70035	0.1
119.20273	0.1
121.10223	0.1
121.90521	0.1
125.00000	20.8
184.07336	100.0
185.07697	0.9
191.51080	0.1
258.11017	0.3
374.04550	0.1
495.40887	0.1
504.34442	1.1
522.35590	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26331	1.5
55.05514	7.6
57.03450	4.8
57.07073	7.8
60.04530	1.9
60.08154	3.7
62.80990	1.6
64.65645	1.6
67.05508	12.6
69.07057	10.9
71.08633	5.4
71.43911	2.2
79.05504	4.2
81.07059	17.6
83.05000	1.7
83.08621	7.4
85.91311	1.9
86.09700	9.6
88.03989	4.8
88.07642	5.3
89.48089	1.9
91.05526	2.3
93.07061	6.9
95.08604	15.7
97.06517	3.2
97.10180	7.1
98.98474	5.8
102.09171	2.1
104.10745	10.8
105.03403	3.5
105.06997	2.0
105.11083	4.4
107.08600	5.9
109.10168	7.2
111.08114	4.1
111.11758	2.0
121.10143	6.0
123.11732	3.8
125.00039	4.3
135.11705	5.0
135.96756	1.7
139.11232	2.4
149.02336	11.4
149.06006	6.9
149.13316	2.3
153.12796	2.6
163.14825	1.6
164.39331	1.7
180.62671	1.6
184.07341	14.3
185.07703	6.9
186.07773	3.7
191.07050	3.4
193.04967	11.5
198.66016	2.0
214.81841	2.0
237.07622	8.7
261.25836	2.1
263.23615	3.3
268.41367	1.6
279.26889	2.9
307.26321	3.2
312.32639	7.4
337.27408	11.5
343.28418	17.9
381.29980	45.5
399.31021	31.2
455.33734	14.4
473.34717	100.0
474.35095	3.0
522.38373	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	522.402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05495	1.8
55.05499	10.5
57.03434	7.1
57.07077	13.3
60.08158	19.6
61.08498	3.6
67.05508	17.4
69.07069	16.4
69.66970	5.7
69.67368	4.6
71.07371	6.3
71.08636	4.8
72.07690	3.3
77.40987	2.3
79.05479	5.8
79.81923	2.9
81.07063	19.6
83.08620	10.9
86.09711	50.8
87.10038	11.9
88.04019	2.9
88.10310	3.7
91.05494	3.0
93.07027	7.2
95.08605	20.1
97.10168	8.8
98.22753	5.1
98.98469	5.5
104.10748	92.6
105.11075	28.8
106.11211	5.0
107.08595	4.5
109.10148	6.7
121.10122	8.6
123.11717	3.5
125.00001	32.2
125.09640	4.0
125.10649	2.3
126.00267	3.7
127.00382	4.5
135.11687	6.4
149.13335	2.9
163.14839	3.7
177.16345	2.8
184.07343	71.9
184.08891	4.8
185.07719	32.0
186.07791	20.0
198.97452	4.8
279.26904	2.9
337.27380	25.2
343.28406	24.2
381.29962	32.1
399.31088	28.8
421.95779	2.6
446.94684	3.3
455.33783	16.1
473.34735	100.0
504.33600	10.9
522.26117	3.7
522.34509	43.4
542.19067	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	523.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.4
55.01877	15.9
57.03432	10.8
61.02923	10.5
65.03938	1.4
67.05502	6.1
68.99789	9.6
69.03062	3.1
69.03429	47.6
69.03805	3.1
69.07069	5.4
70.18208	3.5
71.01360	2.0
71.05001	7.6
73.02919	10.3
79.05500	16.4
81.03419	51.9
81.03899	2.8
81.07057	24.8
83.05008	1.5
83.08612	1.3
85.02909	100.0
87.00833	40.6
87.04436	1.5
91.03975	4.4
91.05482	15.4
93.07041	9.0
94.04252	1.9
95.04967	10.7
95.08623	7.5
97.02901	34.7
99.04459	22.5
103.05479	6.1
105.01866	22.5
105.04539	2.5
105.07028	28.0
107.04972	11.1
107.08598	3.4
109.02882	44.0
109.06522	25.1
109.10175	5.0
111.04475	2.9
115.03957	4.3
115.05439	2.5
117.01815	7.5
117.07043	2.4
119.04997	3.6
119.08595	3.9
120.05745	2.6
121.06509	14.2
121.10178	2.1
123.04433	31.1
123.08064	1.6
123.11718	1.9
127.03916	62.5
129.01819	7.6
131.04884	2.0
133.06502	5.6
135.04407	10.5
135.08067	11.5
135.11771	1.3
137.05981	82.2
139.07561	4.9
145.04973	21.9
145.06540	3.4
145.10155	2.1
147.02907	6.0
147.04391	12.4
147.08087	1.8
149.05972	6.5
149.09601	3.1
149.13245	1.4
150.06696	7.5
151.07542	50.7
152.08324	3.7
153.09111	10.3
159.02904	27.8
159.08051	3.4
161.05998	17.1
161.13298	1.7
163.07539	5.5
164.08380	2.1
165.05481	4.2
165.09120	96.4
173.05997	2.2
173.09633	2.3
174.06781	3.5
175.07553	11.4
177.09158	6.2
178.09932	2.1
179.07127	1.6
179.10689	4.2
185.06050	2.3
189.04042	1.9
189.05507	10.1
189.09106	14.2
190.09853	1.7
191.10703	2.1
193.08611	1.9
193.15840	1.5
197.05994	2.0
199.07587	1.6
201.09003	3.4
203.07048	3.7
203.10670	2.7
205.08665	1.8
207.10107	3.4
212.08351	2.4
213.05493	2.8
217.08690	1.8
224.08205	2.3
226.09943	1.6
227.07031	2.8
227.10780	3.9
231.05064	6.0
231.10144	2.6
237.09038	1.6
239.10640	2.1
240.07872	1.9
242.09433	2.7
243.10132	3.1
253.08582	2.5
254.09213	1.8
255.10219	7.4
257.11746	7.3
259.09738	1.6
267.10098	3.2
269.08261	1.5
269.11768	2.4
270.09082	1.8
271.09729	1.8
272.10486	1.6
273.11264	3.9
275.12796	97.4
276.07736	1.5
276.13058	2.2
277.08878	1.6
283.09665	10.9
284.10519	3.5
285.11221	41.6
287.12790	59.3
291.10162	4.4
293.08063	6.2
293.11276	1.5
294.08887	5.4
295.09677	3.7
296.10510	4.2
296.51089	1.4
297.11298	7.3
299.12784	67.2
300.13217	1.7
301.10739	4.0
305.11798	3.4
307.09482	2.6
307.26361	2.8
308.10150	2.1
309.11188	15.7
311.12759	4.7
313.14328	4.9
317.13849	45.7
321.11273	2.9
322.11978	3.8
323.12708	10.8
325.27261	2.1
329.13788	2.0
333.11200	3.6
337.14304	4.3
341.13852	37.7
347.12762	5.5
355.15366	2.7
365.13873	72.6
383.14883	58.0
451.13828	1.8
469.14871	5.1
470.14767	1.8
499.26797	2.0
523.21417	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70851	2.8
55.01870	6.6
55.05510	18.5
57.03429	4.5
57.07079	9.5
67.05499	23.2
69.03436	18.4
69.07072	34.2
69.45606	12.3
71.05003	10.7
71.08619	5.8
79.05507	21.7
81.03413	11.0
81.07063	100.0
82.53989	2.6
83.04974	6.7
83.08622	17.3
85.02911	27.1
85.06532	17.1
86.09760	2.9
87.04467	6.0
91.05492	13.8
93.07047	34.9
95.04957	10.0
95.08609	66.2
97.02912	4.2
97.06525	13.4
97.10159	11.1
98.22695	5.1
99.04453	3.6
99.08082	7.5
103.03938	5.2
103.05504	3.0
105.07039	20.5
107.04978	6.9
107.08602	28.7
109.02872	8.3
109.06516	9.8
109.10163	36.4
111.04488	4.6
111.08092	47.3
111.11716	7.1
113.06012	3.9
115.03938	12.7
117.07036	4.1
119.08619	16.6
121.06491	22.0
121.10150	23.8
123.04440	3.2
123.08063	4.4
123.11716	23.1
123.36742	3.0
124.14606	2.7
125.09682	3.7
127.03934	12.9
129.06981	3.2
131.08585	6.8
133.04994	4.3
133.09276	3.7
133.10146	17.5
135.11705	13.3
137.06003	22.2
137.09682	6.3
137.13261	25.4
139.11201	5.8
145.04956	11.4
145.10143	8.6
147.04427	6.7
147.11699	11.1
149.13248	12.4
151.11180	5.2
151.14728	2.9
153.12804	5.4
155.10686	3.1
155.14320	8.9
159.11703	6.7
161.05981	6.9
161.13252	8.4
163.11250	4.5
163.14836	6.7
165.09109	3.2
167.83546	2.9
169.12213	4.7
175.14784	5.0
177.12685	3.3
177.16397	4.2
179.03458	2.8
179.07007	5.2
181.12263	6.0
187.14752	4.4
189.16399	4.6
191.18039	3.8
201.16513	4.0
203.06966	5.8
203.17969	3.9
209.19109	5.2
215.17912	5.1
219.21104	4.6
221.18954	3.1
231.10210	11.5
251.19910	3.7
255.10204	14.1
264.90860	2.7
271.24225	12.5
273.11172	3.6
277.25320	13.4
289.25244	51.9
295.26312	8.5
297.11148	9.2
307.26318	77.5
317.08398	4.1
325.27423	32.1
331.12759	2.9
339.12299	4.3
343.28360	3.3
371.32031	3.3
523.21021	57.3
523.28882	18.7
524.20190	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35232	2.3
55.01895	3.3
55.05512	12.0
55.05904	2.4
57.03432	5.2
57.07080	8.2
61.02921	3.1
67.05511	22.5
69.03427	15.6
69.07072	30.7
69.31429	9.6
70.06580	3.7
71.04995	11.8
79.05473	17.8
81.03431	9.0
81.07059	100.0
82.07393	6.0
83.04985	4.4
83.08623	10.0
85.02914	22.5
85.06546	13.1
87.00851	3.7
87.04478	3.8
91.05476	20.6
93.07054	25.1
95.04982	5.9
95.08607	64.0
96.08924	4.9
97.02902	12.3
97.06538	10.3
97.10167	8.3
98.22734	6.7
98.97610	10.3
99.04464	5.7
99.08114	7.4
105.01904	3.0
105.03378	3.0
105.07027	19.8
107.04990	3.8
107.08598	25.8
108.08899	3.0
109.02921	6.1
109.06519	11.3
109.10150	34.2
111.04450	7.2
111.08084	26.4
111.11697	2.9
115.03938	11.3
117.07044	4.5
119.08569	24.5
119.42580	2.9
120.08916	6.7
121.02877	4.5
121.06481	4.6
121.10143	17.1
122.10512	4.0
123.04433	4.4
123.11686	16.9
127.03922	12.8
127.11211	6.0
128.05402	3.2
129.07013	3.2
131.08583	5.7
133.10156	11.9
134.10463	4.0
135.08096	4.5
135.11711	22.7
136.12051	5.9
137.06003	11.7
137.09615	4.4
137.13249	23.7
139.11240	3.5
141.12753	3.1
145.04964	6.6
145.10158	6.4
147.11736	9.6
148.12057	4.7
149.13251	11.8
151.07567	5.6
151.11185	5.5
153.12743	5.5
155.10680	3.4
155.14314	15.0
159.11732	7.9
161.13254	3.2
163.11253	2.8
163.14891	5.9
163.92699	2.9
165.09108	15.0
165.12816	5.1
172.78990	2.4
173.13306	2.7
175.14827	7.7
176.15192	3.7
187.14812	4.6
193.15944	9.5
194.16228	5.2
201.09258	2.4
203.07188	4.4
203.17882	8.0
204.18373	4.9
209.19102	3.4
211.16966	6.3
212.17334	9.0
215.18034	3.4
219.01778	5.9
219.62573	2.9
221.19008	4.3
222.19456	6.8
237.02945	5.8
239.16409	6.3
240.16652	3.0
241.12245	26.8
257.11801	5.3
271.24292	7.3
275.12817	32.5
277.09189	3.8
277.25366	4.4
289.25281	29.9
295.26248	4.7
307.12183	3.7
307.26276	47.2
317.08377	8.3
325.27466	22.5
332.69748	2.8
335.12189	3.2
343.28421	3.8
365.13641	3.2
385.15262	4.0
409.15442	8.9
431.49268	2.8
437.18008	3.5
463.18640	7.1
505.20303	4.1
523.20490	76.7
523.28967	13.4
524.21338	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
53.20168	2.1
55.05507	13.9
57.03436	19.9
57.07074	39.9
60.08161	2.2
64.82640	1.9
67.05507	31.6
69.07069	12.7
70.11381	6.0
71.04976	2.7
71.08639	28.1
79.05491	16.1
79.19566	2.1
81.03419	100.0
81.07047	33.1
83.04983	6.9
83.08620	30.5
84.08100	2.0
85.10177	13.9
86.09727	4.8
89.06031	2.4
91.05473	21.8
93.07032	13.5
95.04972	24.2
95.08603	28.2
97.10172	8.9
98.23370	3.2
104.10736	12.8
105.07022	15.5
107.04979	6.3
107.08582	8.2
109.06534	3.0
109.10155	20.6
111.08072	6.8
117.07023	2.7
119.08598	13.9
121.10172	7.7
123.11665	2.4
124.99993	2.8
129.07005	8.2
131.08597	8.6
133.06451	3.3
133.10124	8.6
137.09467	2.3
145.10060	3.0
147.08049	2.8
147.11690	6.8
149.09619	5.1
157.10170	6.5
174.02150	2.4
175.11203	5.6
179.14368	6.7
184.07283	10.2
193.12260	41.0
211.13322	5.9
229.14369	9.7
239.23770	5.1
249.14914	3.0
267.15897	94.2
268.16177	2.7
276.14560	2.1
277.21561	5.4
306.72067	2.2
313.23737	4.5
313.27365	86.4
314.27591	3.4
316.93732	2.1
335.41788	1.9
505.39197	52.7
523.24249	12.1
523.39343	4.5
524.37024	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01863	0.9
55.05510	10.1
55.80768	0.7
57.03182	1.3
57.03443	17.7
57.07079	39.4
63.80177	0.9
67.05161	1.2
67.05510	19.5
69.03410	1.0
69.07078	8.5
69.09200	5.2
71.05004	1.9
71.08635	28.3
79.05505	11.7
81.03423	87.1
81.07063	23.7
83.04991	4.8
83.08627	24.4
83.67384	0.8
85.02913	3.5
85.06526	1.0
85.10191	15.0
89.06033	2.1
91.05485	17.8
93.07066	7.5
95.04974	23.3
95.08608	25.0
97.02913	2.1
97.10182	8.2
103.07591	1.2
105.07028	11.4
107.04971	5.0
107.08597	3.0
109.06521	3.2
109.10159	8.8
111.04473	1.2
111.08083	6.2
111.11755	1.6
117.07001	1.2
119.08573	10.7
121.06531	2.5
121.10146	6.2
122.48045	0.9
123.08076	1.1
123.11723	3.2
125.13214	0.9
129.07040	6.7
131.08557	6.7
133.06491	3.5
133.10132	4.8
137.09607	1.0
137.13254	2.0
142.07840	2.0
145.10188	1.1
147.08044	3.9
147.11703	6.4
149.09654	4.4
157.10126	9.4
165.12804	1.4
175.11189	9.9
175.12648	1.2
193.12260	43.4
194.74480	1.1
211.13310	7.0
223.13269	1.1
239.23712	6.4
249.14912	4.2
257.24786	2.5
267.15927	100.0
268.16177	2.0
274.24976	0.9
313.27380	99.3
314.27728	2.3
505.38892	58.3
506.38873	1.9
523.39948	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93948	0.7
53.03947	1.5
55.01864	1.4
55.05508	11.4
56.23796	0.5
56.84754	0.7
56.99168	0.5
57.03436	4.8
57.07077	28.9
57.49569	0.5
59.05008	1.0
65.03937	1.2
67.05505	22.1
69.03436	1.8
69.07072	9.2
69.51742	2.4
71.04993	2.8
71.08633	21.2
71.09029	0.7
79.05494	10.8
81.03416	26.2
81.07058	24.6
83.04988	5.3
83.08618	16.6
83.09096	1.0
85.02904	14.1
85.06522	1.1
85.10180	9.7
91.05484	15.1
93.07047	7.6
95.04973	12.7
95.08606	20.3
97.02927	1.3
97.06545	2.0
97.10143	5.1
99.08131	1.0
105.04559	1.1
105.07024	9.1
107.04961	2.2
107.08613	3.8
108.86999	0.7
109.06522	1.4
109.10155	9.6
111.04462	1.5
111.08076	4.5
111.11725	0.8
113.06005	0.9
119.08588	7.6
121.06615	0.6
121.10150	4.2
123.11718	4.4
125.13265	0.8
129.07002	4.9
131.08575	5.4
131.34526	0.7
133.10136	4.2
133.17154	0.6
135.11752	0.9
137.09602	0.8
137.13304	1.7
138.99777	0.7
142.07782	2.0
145.10156	1.1
147.08067	1.4
147.11697	5.8
149.09616	3.1
153.46114	0.6
157.10121	5.4
165.12827	1.3
175.11191	7.0
184.07387	1.6
193.12245	31.6
211.13292	35.6
229.14383	1.4
239.23705	5.1
267.15845	7.9
313.27283	6.5
375.15341	0.8
482.59677	0.6
505.39273	4.5
507.30884	0.7
523.39966	100.0
524.40271	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01853	1.9
55.05511	9.6
57.03440	22.0
57.07079	46.3
58.69693	1.1
60.29387	1.1
67.05510	21.2
69.03426	2.6
69.07079	8.8
69.26784	5.3
70.54084	1.2
71.04982	1.5
71.08633	32.8
71.16677	1.0
72.72917	1.0
75.44050	1.1
79.05496	10.2
81.03421	100.0
81.07062	24.4
83.04977	4.4
83.08628	22.0
85.06564	1.1
85.10185	17.5
89.06014	2.2
91.05485	15.0
93.07049	7.9
95.04971	24.4
95.08607	24.2
97.02849	1.9
97.06511	2.0
97.10191	7.3
98.23384	1.8
99.08080	1.1
105.07024	11.5
107.04963	5.8
107.08602	4.7
109.06535	1.6
109.10168	9.7
111.04413	1.3
111.08082	4.9
111.34636	1.2
117.07002	1.4
119.05028	1.3
119.08581	13.2
121.06506	3.0
121.10170	5.9
123.08057	1.5
123.11724	4.0
129.07005	8.7
129.69008	1.1
131.08577	7.9
133.06422	2.5
133.10124	4.5
137.09613	1.3
137.13254	2.4
142.07745	2.2
147.08037	2.7
147.11662	7.6
149.09637	3.8
157.10143	9.5
163.11275	1.6
165.12694	2.1
168.61581	1.2
175.11211	8.4
193.12242	47.0
193.13983	2.4
202.20807	1.0
211.13312	3.8
239.23708	6.7
249.14864	3.5
257.24744	2.3
267.15921	100.0
313.27380	99.5
314.27835	1.8
349.47906	1.3
359.97284	1.2
505.38882	55.0
506.39560	2.3
523.39941	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01862	1.2
55.05513	10.6
57.03440	5.3
57.07076	31.4
60.78510	0.8
65.03942	1.4
67.05508	17.8
67.07375	0.8
69.03424	2.3
69.07070	7.3
71.04996	3.1
71.08628	21.0
79.05493	11.7
81.03418	30.5
81.03900	1.8
81.07058	25.9
83.04982	5.3
83.08619	19.2
85.02902	15.3
85.06541	0.8
85.10184	11.4
91.05479	16.6
91.46841	0.7
93.07036	8.2
95.04962	15.3
95.05525	1.1
95.08604	19.9
97.02876	1.6
97.06538	1.6
97.10162	6.3
101.06102	0.8
105.07036	9.7
107.04949	2.1
107.08592	2.9
108.93439	0.7
109.06494	1.1
109.10152	7.8
111.04455	1.2
111.08072	6.0
111.11722	1.3
113.05984	1.0
115.05479	1.9
117.07070	1.1
119.08574	8.8
121.06502	1.4
121.10102	5.0
123.11706	3.9
129.07021	5.2
131.08557	5.1
133.06488	1.0
133.10121	4.0
137.13258	1.4
145.10123	0.9
147.08020	1.6
147.11655	5.9
149.09627	3.1
157.10104	6.2
161.44850	0.7
165.12775	1.4
171.86790	0.8
175.11192	5.4
193.12244	30.5
211.13287	34.2
239.23604	5.5
249.14806	0.9
251.86809	0.9
267.15997	5.3
277.75833	0.8
288.88684	0.9
295.57843	0.8
313.27295	6.2
394.66495	0.8
505.38779	2.8
523.39948	100.0
524.40131	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
53.85547	0.1
55.01863	0.1
57.03420	0.3
61.02910	0.4
69.03430	1.1
69.37398	0.7
70.06576	0.3
71.04989	0.2
73.02894	0.2
74.00626	0.2
81.03402	0.5
85.02910	3.1
87.04416	0.2
97.02895	1.2
99.04445	0.2
100.32677	0.1
109.02847	0.4
120.01147	0.3
127.03918	0.6
145.04973	0.4
153.07004	0.1
160.19183	0.1
168.05663	0.2
169.06456	0.3
181.06406	0.2
183.08046	0.8
187.07526	0.2
196.05319	0.1
197.05925	1.4
198.06682	0.1
202.04506	0.1
211.07539	2.7
212.08316	8.1
213.03645	1.8
213.08969	0.3
224.02884	0.2
225.05489	1.0
227.06982	0.4
229.08582	2.3
230.04005	0.5
239.07037	0.7
240.07799	9.7
241.03174	0.8
241.08557	1.5
242.03970	0.2
242.09352	1.7
245.06323	6.3
253.06827	0.2
255.04669	0.3
256.05554	0.9
258.03275	0.2
273.05783	100.0
274.06125	1.7
297.05740	0.1
299.07321	0.6
311.82596	0.1
316.10162	0.3
345.07895	0.8
362.10541	17.4
363.11011	0.3
404.11658	0.6
470.12738	0.2
488.13693	0.5
493.34479	0.1
506.14664	0.4
524.15808	0.2
524.28943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30188	1.5
57.07064	2.3
58.82758	1.6
60.08170	4.5
67.05508	1.6
69.71259	1.5
69.87010	3.3
69.87376	3.1
71.08619	1.7
76.07626	1.6
79.05488	3.6
81.07055	2.1
86.09704	20.2
87.10030	1.7
89.06057	1.7
91.05473	2.7
95.04983	3.4
95.08599	2.9
98.98434	2.3
103.05468	3.6
104.10748	11.2
105.03398	8.1
105.11067	1.9
107.04956	100.0
121.06557	2.0
124.99998	11.7
125.44970	1.3
129.07034	1.5
131.04921	32.6
132.05766	2.0
141.06989	2.5
145.06468	2.3
149.46965	1.7
169.06502	15.0
184.07339	50.8
185.07695	7.1
202.07829	4.1
217.10283	2.5
219.08035	2.1
220.08820	5.9
228.97787	1.7
235.07480	1.6
235.11159	4.7
245.09697	2.8
247.07530	1.8
248.08356	4.5
263.10678	52.6
274.37518	1.6
277.81915	1.6
339.28900	3.2
385.14395	2.9
454.05963	1.7
524.24432	2.4
524.36780	2.8
525.17615	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	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16622	2.1
51.17919	2.1
53.03948	13.6
54.04132	1.9
55.01874	13.4
57.03430	5.9
61.02928	5.0
68.99796	7.2
69.03065	3.7
69.03425	38.3
69.59126	2.1
70.68398	3.5
71.04986	8.5
73.02918	11.0
73.03251	1.9
79.05483	4.7
81.03415	49.3
81.03890	2.9
83.16425	2.2
85.02901	81.5
87.00829	38.7
91.03958	5.0
91.05462	12.6
93.07035	10.3
95.04984	6.2
97.02892	26.8
99.04457	19.4
103.05429	11.3
103.74522	2.6
105.01882	20.5
105.04475	2.4
105.07013	14.4
107.04948	35.4
109.02866	40.6
109.03555	3.4
117.01831	6.5
119.04945	7.0
121.06500	100.0
127.03913	58.4
129.01872	8.1
131.04953	6.0
133.06482	8.5
135.08081	7.0
145.04970	25.8
145.06488	6.6
147.02992	2.7
150.06798	3.6
151.07515	21.2
152.08296	2.7
152.54979	2.0
153.09128	4.5
157.06525	2.2
159.02869	29.1
159.08032	2.3
163.07584	3.3
165.09111	52.3
170.10619	2.0
175.07558	8.4
177.09134	4.7
179.10670	2.7
185.05992	1.9
189.09044	10.1
192.71565	1.9
197.06018	2.4
201.09038	2.0
203.10683	3.8
207.10149	2.7
213.09073	2.2
224.08153	2.3
227.10692	4.9
231.04999	7.7
237.09137	2.5
239.10591	2.4
240.07957	2.4
243.10274	2.1
243.61433	2.3
255.10138	7.4
259.13290	64.5
267.10092	15.7
268.10773	3.2
269.11777	12.9
271.13284	55.9
273.11368	2.6
279.10260	3.5
281.11761	4.5
283.13266	14.8
285.11270	3.9
291.10098	3.1
293.11847	3.8
297.14899	3.5
301.08813	2.9
301.14365	47.0
307.13348	2.4
321.14902	5.1
325.14307	32.2
331.13300	2.4
349.14365	71.5
367.15393	60.0
453.15372	9.6
471.16446	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	524.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01865	2.6
58.99118	1.8
67.51199	1.6
69.03424	6.0
69.44405	6.9
70.06596	14.8
79.31573	1.9
81.03423	6.7
82.06566	2.0
85.02908	24.3
87.00838	6.9
88.85403	1.8
91.05472	19.9
93.07027	9.5
95.04973	4.1
97.02910	6.9
98.06071	3.9
99.04459	3.7
103.05468	8.2
105.01871	5.0
105.07038	22.0
107.04975	3.7
107.08616	3.1
109.02893	4.0
115.05444	2.4
117.07021	10.6
121.06509	100.0
126.05518	3.8
127.03946	13.9
129.01906	2.3
129.07027	2.2
131.84644	1.9
133.06503	3.1
135.08090	6.1
137.06006	2.1
145.04984	7.4
147.08044	3.7
150.06769	2.2
158.53760	1.5
159.02942	3.5
163.07535	1.9
163.15022	1.8
165.09117	50.4
166.07794	2.7
181.10104	2.0
183.27763	1.6
189.09114	3.4
194.07274	3.1
195.11380	3.4
223.11133	1.9
226.09978	4.1
231.05057	3.0
241.12236	54.3
253.12376	2.6
259.13278	80.0
265.12180	2.4
277.03571	1.6
283.13275	21.6
295.13446	2.3
325.14313	16.2
331.13467	2.1
349.14322	11.8
367.15381	11.5
471.16507	3.6
480.32910	2.3
524.21179	3.2
524.29779	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	524.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01870	1.5
56.25389	0.4
57.03436	1.6
61.02940	1.2
67.05495	0.5
68.13163	0.5
68.99791	1.4
69.03434	3.4
69.43266	2.3
70.06582	1.3
71.04996	0.6
73.02923	1.1
79.05492	4.8
81.03430	3.2
81.07051	1.0
83.01336	1.0
85.02904	9.7
87.00829	3.4
91.05475	3.9
93.07044	1.8
95.04964	1.0
95.08591	3.8
97.02888	3.6
98.06045	0.6
99.04455	1.3
103.03939	0.5
103.05470	3.0
105.01870	2.4
105.07035	21.0
107.04931	1.0
109.02888	3.0
109.06528	1.0
111.04469	0.6
115.05499	0.6
117.01848	0.5
117.06989	0.9
119.06151	0.5
120.05727	2.3
121.06514	9.0
121.29343	0.4
123.08094	6.3
126.30849	0.5
127.03914	5.2
128.04250	0.5
129.01851	1.3
133.06474	5.9
135.08058	81.5
136.05171	1.7
136.08365	1.4
137.06044	2.4
138.06285	0.6
143.08640	0.6
145.04976	3.1
147.02876	1.3
147.08008	0.9
151.07547	100.0
152.07870	2.8
159.02937	1.5
161.05989	0.6
163.07541	0.9
165.07164	0.5
175.07536	7.6
176.07935	0.5
179.09628	0.5
185.09605	0.5
189.04005	0.6
189.09273	0.6
198.99762	0.5
209.09645	1.6
217.08574	2.4
227.10680	4.7
231.04999	1.0
239.10635	0.6
241.08588	1.0
241.12242	7.5
253.12292	2.5
259.13303	82.7
260.13663	1.7
265.12094	0.8
276.13321	0.6
283.13284	16.5
284.13812	0.6
295.09567	0.5
295.13010	0.8
299.12552	1.0
300.13141	1.7
301.14261	1.5
307.13263	0.9
321.14984	0.6
325.14349	15.3
342.14056	1.0
349.14389	9.1
367.15457	7.9
384.15152	1.0
453.15448	0.6
471.16513	2.1
476.28091	0.7
524.22479	1.0
546.60229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94778	0.4
53.03945	0.5
55.01871	0.9
55.05510	4.6
57.07059	0.5
58.06607	1.2
60.07869	0.9
60.08163	13.0
62.30492	0.4
67.04242	1.0
67.05505	6.1
68.05028	2.1
69.03441	0.9
69.05806	1.7
69.07061	5.3
70.06595	2.3
70.69855	0.6
71.04963	0.6
71.08630	1.1
73.06559	0.8
79.05489	5.0
81.07059	5.3
83.04971	2.2
83.08614	1.4
85.06573	0.5
86.00664	0.8
91.05469	3.2
91.72465	0.4
93.07051	4.9
95.04964	1.9
95.08606	5.7
95.40014	0.4
97.06516	1.0
97.10183	1.3
98.06060	0.9
99.01421	1.6
99.08110	0.5
100.02198	2.3
105.07014	2.7
107.06129	0.4
107.08574	2.9
108.83337	0.4
109.06503	1.2
109.10157	2.5
112.75227	0.5
113.10773	0.7
113.76831	0.4
114.02426	0.4
117.07018	0.7
118.08504	0.4
119.08575	2.4
121.10147	1.8
123.08074	0.9
123.11729	0.7
125.01678	1.6
126.02481	12.7
127.03259	37.0
129.04797	1.0
129.06972	0.6
131.08577	0.5
133.10132	1.4
135.11690	1.2
137.09593	2.2
139.11188	0.9
143.02750	0.8
145.04300	32.0
145.10172	0.7
147.11703	1.2
149.13249	1.0
151.11215	0.6
153.12802	0.8
157.06674	1.1
161.13367	1.0
165.12735	1.4
170.07570	0.6
171.11726	0.5
175.14845	0.7
179.14334	0.7
184.07553	0.4
184.08952	2.2
185.09813	27.7
186.10565	3.6
195.11388	0.5
230.09682	0.6
231.21082	0.7
241.19379	0.5
249.22112	0.8
277.21698	2.2
295.22769	1.2
421.25174	6.7
427.74670	0.5
432.08377	0.5
465.24051	1.4
473.29117	0.5
480.32538	100.0
481.32809	3.8
524.31586	9.1
545.56042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3719
Annotation	PAF C-16
Peak:m/z	Relative Intensity
54.16709	0.4
55.05515	0.7
57.07065	1.1
60.08169	6.5
63.08501	0.5
67.05489	1.2
69.07084	0.6
69.44038	1.2
69.44437	0.7
71.07365	2.6
79.05487	0.5
80.40983	0.5
81.07063	0.6
86.09709	25.7
86.75628	0.5
91.05491	0.9
95.08597	0.8
98.22746	1.0
98.98470	1.8
104.10752	3.3
105.07002	0.6
108.02504	0.5
109.10136	0.5
125.00005	19.5
127.81758	0.5
135.08119	0.5
136.04584	0.5
150.49474	0.5
165.88359	0.5
184.07349	100.0
184.70938	0.5
185.07545	0.6
506.35901	1.0
519.26447	0.5
524.37341	3.5
525.16815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.66068	0.3
55.05499	0.5
56.05027	1.1
57.03443	0.5
57.07076	3.3
58.06602	1.4
60.08164	15.7
67.05496	0.9
69.07066	0.4
69.38580	0.3
70.06586	0.4
71.07375	5.7
71.07748	0.6
71.08625	2.4
80.35506	0.3
81.03412	0.9
81.07054	1.1
83.08626	0.4
85.10185	1.2
86.09707	48.0
87.10056	0.5
90.90778	0.3
95.08606	1.2
98.23459	0.6
98.98471	3.2
104.10744	100.0
105.11085	1.1
105.84582	0.3
107.13529	0.3
109.10207	0.8
109.17065	0.3
122.18253	0.3
125.00003	28.1
163.01590	1.1
184.07343	96.1
185.07681	0.7
258.11118	0.7
268.16113	0.4
297.85559	0.3
314.27835	0.6
327.28854	0.5
341.30466	1.1
400.52121	0.4
447.28226	0.4
477.97067	0.4
506.35870	8.2
524.37109	35.4
525.37268	1.5
552.15332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08427	9.2
55.05515	14.6
57.03423	19.2
67.05509	100.0
69.47005	27.2
72.23174	9.4
79.05508	16.8
81.07059	37.9
87.04468	11.8
88.08937	8.9
93.07040	28.1
95.08613	14.1
109.10170	60.7
119.08557	15.1
127.12368	9.5
130.56129	8.6
141.71851	8.6
150.81343	9.8
173.11664	12.8
229.14301	49.6
335.25864	60.7
489.35626	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	525.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.6
56.96564	28.5
62.82341	0.8
70.40472	0.9
70.40808	1.2
84.96043	1.8
88.95776	0.8
98.97591	6.8
110.97613	2.2
116.98630	1.2
124.99119	1.6
127.00718	2.4
128.98599	1.8
139.00725	2.4
143.00131	1.0
151.03929	1.1
155.00139	29.8
155.01352	1.5
157.01732	3.3
158.99641	1.1
161.01299	1.2
163.03957	1.1
170.99658	1.0
173.01221	100.0
175.02751	6.8
177.00764	1.1
182.99756	2.9
189.00670	1.3
191.02267	63.0
192.02768	0.7
193.03929	2.3
196.02899	0.8
201.00691	13.8
209.03375	2.6
217.03612	0.8
219.01761	44.1
223.45424	0.8
229.98601	1.9
237.02806	19.8
261.02869	2.4
269.99915	1.3
271.04868	10.4
273.02609	1.9
279.03964	2.5
279.57004	0.9
289.05978	3.3
299.04370	31.2
302.00302	0.8
303.04007	0.9
306.99826	1.2
311.02808	1.0
316.00449	1.9
317.05447	15.7
320.99835	1.4
321.04770	1.5
327.03836	16.6
330.00040	1.8
339.00385	1.2
340.06998	0.9
345.04926	96.8
346.05243	2.2
363.05972	41.2
364.06268	1.2
368.06577	1.6
375.05402	1.2
378.01407	0.9
393.01556	1.2
426.04083	1.8
426.54327	1.5
435.04681	4.9
435.54929	1.4
444.05234	3.5
466.98157	1.0
525.11456	2.2
525.22729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.6
57.47976	1.3
66.33583	1.3
69.03419	2.3
69.50202	2.3
69.50553	4.2
73.29902	1.2
82.99849	2.8
85.02893	3.0
93.11269	1.1
97.02903	2.3
98.22691	1.2
98.97581	4.8
101.00874	26.8
107.02749	1.3
109.02882	1.9
110.97565	2.3
111.03010	1.3
113.00861	6.0
115.02406	2.1
116.19883	1.2
119.01928	26.9
127.02444	4.2
127.03915	1.7
129.03970	2.5
131.01903	19.1
139.02419	2.5
143.01898	27.6
145.03477	16.3
153.03978	5.4
155.00046	2.0
155.01884	25.7
157.03505	8.7
158.99646	2.6
161.02975	22.7
167.01936	13.8
169.03441	6.3
170.99733	2.4
171.05043	17.0
173.01236	4.5
173.02969	23.1
175.04597	3.3
179.01888	8.8
181.03473	2.3
182.99602	2.0
183.05084	4.0
185.02963	41.2
186.03159	1.9
187.04541	11.0
189.06131	2.2
191.02325	2.6
191.03889	3.1
197.02950	24.5
198.03137	1.3
199.04584	7.4
201.00710	5.1
203.04010	12.0
209.02953	7.4
215.02371	1.8
215.04018	38.0
217.05600	5.0
219.01797	5.1
219.03658	2.4
221.05016	2.2
223.04442	1.9
225.05949	1.5
227.03990	19.8
227.79553	1.2
233.03152	1.6
233.05090	12.8
237.02756	1.6
239.03938	4.3
241.05702	2.0
243.03540	50.4
244.03642	2.3
245.05064	100.0
246.05284	3.0
247.06578	1.3
253.05612	1.3
255.03441	2.9
257.05054	7.9
261.04825	18.5
263.06146	12.9
269.05063	2.1
273.01862	1.9
273.04575	14.0
273.07770	2.4
275.06064	13.7
279.03928	3.7
284.06265	1.5
287.06155	2.6
293.07098	3.6
299.06177	6.4
303.05655	16.3
305.07184	9.9
315.05597	1.4
317.07059	4.4
321.04816	2.0
327.05533	4.9
333.04962	1.7
335.08179	4.3
345.06720	46.2
346.06976	1.3
347.08316	1.8
363.07742	77.9
364.07880	3.6
365.09357	11.8
401.04178	2.8
507.11548	2.2
525.12585	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2107
Annotation	CHEBI:69823
Peak:m/z	Relative Intensity
56.96566	9.8
58.74220	1.5
67.92320	1.4
69.03425	1.7
69.07061	2.7
71.46514	2.3
78.35313	1.3
81.07056	1.9
84.96025	3.4
85.02885	2.6
87.04459	2.4
91.05454	2.3
93.07045	2.4
97.02888	2.9
97.06519	5.7
98.97576	36.8
109.10149	2.3
110.97575	4.6
112.99143	6.2
115.03934	3.3
116.98600	9.6
127.03905	1.8
128.98601	1.9
131.00175	7.1
133.04962	4.1
134.05330	1.5
134.99626	1.9
137.05992	3.2
144.98091	2.3
149.01141	2.1
158.99681	15.0
170.99672	3.8
173.01224	7.2
177.00711	6.2
189.00656	2.2
191.02271	4.1
201.00691	2.5
202.98636	1.8
206.25711	1.6
219.01744	6.5
233.11742	8.9
237.02843	4.9
241.21239	1.7
244.99821	2.7
267.12805	3.6
277.14761	3.0
279.03925	2.9
279.12946	1.9
299.78659	1.6
301.14691	3.4
303.01080	10.6
305.02710	5.5
319.15726	2.7
345.20975	1.7
355.14246	2.4
421.18936	9.3
439.19937	14.8
463.20132	2.8
481.21179	26.2
507.19891	49.1
508.19421	2.2
525.20996	100.0
526.20911	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	525.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74013	0.4
55.01877	0.4
57.54862	0.4
59.19873	0.3
59.24742	0.3
67.05505	1.2
68.05047	0.4
69.03427	3.2
69.07085	0.7
69.34212	0.6
69.34592	1.9
70.06593	0.7
71.04982	0.9
78.63614	0.3
79.05506	1.1
80.05031	0.9
81.07053	1.5
81.26987	0.3
82.06592	0.6
83.01346	1.2
83.07369	3.5
84.02110	0.5
84.04518	0.4
84.08157	0.5
85.01131	0.5
85.02914	0.3
86.06080	1.1
91.05489	1.2
93.07056	1.0
94.06566	2.3
95.04980	0.6
95.08591	0.5
96.08150	1.7
97.06514	0.4
98.06066	0.9
98.09703	1.3
99.04483	0.5
105.07066	0.4
106.06570	1.4
108.08096	0.7
109.06515	0.5
110.09676	0.6
111.02669	9.5
111.08047	0.6
118.06523	0.5
118.76759	0.4
119.08580	0.7
120.08099	3.0
121.06521	0.5
122.09716	0.5
124.11253	1.1
125.04238	0.7
126.09196	1.0
126.12804	1.3
127.03942	0.4
129.06998	0.5
131.08565	0.6
134.09657	0.8
135.08073	0.8
136.11258	1.8
137.09695	0.5
138.09099	0.4
138.12755	0.7
140.07051	0.7
143.03435	1.2
144.08141	0.4
146.09694	0.7
148.07596	1.7
148.11226	0.5
149.04164	0.4
150.12830	0.7
152.05302	1.0
152.10751	2.2
154.12236	1.8
157.08958	0.4
159.08087	0.5
160.07468	0.5
160.11188	0.8
162.09198	1.0
162.12782	6.2
164.14371	1.6
166.08658	0.4
166.12332	0.4
167.07069	1.6
169.03319	0.5
170.11786	2.8
170.82324	0.4
174.12770	0.8
176.14320	2.2
177.03751	0.4
177.12799	0.6
178.15977	0.6
179.05432	0.4
179.07115	0.4
180.10281	0.6
182.11847	0.7
186.09131	0.5
186.12953	0.6
189.09113	0.6
190.12294	0.9
194.11795	1.0
194.15451	0.4
198.05891	1.6
200.10794	1.3
204.13831	14.1
204.17647	0.7
205.14540	0.7
206.15450	0.7
208.13371	1.3
209.09839	0.4
214.15958	1.1
216.17439	0.4
218.11821	0.8
220.13341	1.2
222.14955	0.5
232.16980	6.4
242.15302	2.1
243.16054	0.9
250.18115	1.2
260.16489	8.5
278.17532	0.7
294.15225	18.3
354.16949	0.4
363.17609	0.5
368.18646	0.7
372.18246	0.7
375.20035	0.5
386.19540	3.2
404.20685	16.9
420.18607	1.8
438.19461	22.7
464.21118	0.6
473.88815	0.4
480.20554	5.2
525.22662	100.0
526.22760	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.05035	0.4
56.50090	0.4
58.99581	0.6
59.01418	0.4
64.56433	0.4
67.05506	0.5
68.05017	0.8
69.03433	3.5
69.07063	0.5
69.55624	1.8
70.06593	1.7
71.05003	0.5
79.05504	1.3
80.05019	1.8
81.03419	0.7
81.07059	0.8
82.06588	1.4
83.01295	0.5
83.07359	3.6
84.08179	0.4
85.02905	0.5
86.06084	0.8
88.03986	1.3
90.55547	0.4
91.05495	1.4
93.05780	0.5
93.07066	0.6
94.06566	2.1
94.59478	0.4
95.04962	0.8
95.08610	0.5
96.08132	2.1
97.02895	0.7
97.06509	0.4
98.06054	1.1
98.22667	0.9
105.07057	0.7
106.06557	2.4
107.04931	0.7
108.08138	1.2
109.01124	0.6
109.06528	0.9
110.06047	0.6
110.09689	1.3
111.02677	0.7
111.08096	2.2
117.05746	0.6
117.07031	0.5
118.06549	1.4
119.07309	1.3
120.08109	10.4
121.06487	0.8
121.08920	1.1
122.09695	1.9
123.08148	0.4
124.11230	2.4
125.12012	0.5
126.12807	1.7
127.03879	0.8
130.06572	0.6
132.08139	0.9
133.08868	0.6
134.06007	0.6
134.09694	1.8
135.08104	0.6
136.07599	0.8
136.11241	3.5
137.05981	0.8
138.09148	3.0
138.12772	1.2
140.10741	0.5
144.08081	0.7
146.09683	0.7
147.06825	0.8
148.07591	5.9
149.08363	1.0
150.09178	0.7
150.12785	0.5
151.07549	0.5
152.10744	2.0
152.47610	0.5
153.05443	0.7
153.11513	0.6
154.12321	1.0
157.06831	0.6
158.09637	0.9
160.07625	0.5
160.11269	2.5
162.09175	7.0
162.12788	26.4
164.14366	4.9
165.05453	1.1
166.12325	1.1
166.15956	0.8
167.07042	1.2
169.03227	2.3
170.11711	0.5
171.01088	0.6
172.11234	0.8
174.12819	1.1
176.10744	0.9
176.14322	2.4
178.12367	0.6
178.15897	0.8
179.07114	0.7
180.04805	0.5
180.10178	1.3
180.13876	0.7
181.04942	2.4
181.10980	0.7
184.11351	0.5
186.12901	1.5
187.13614	2.0
188.10742	1.8
188.14339	0.9
190.12297	2.3
190.15984	0.9
191.13039	0.8
192.13826	0.8
194.06502	0.5
194.11774	2.6
194.15414	1.9
195.04736	0.6
197.02655	1.0
200.03770	0.6
202.12300	2.0
203.13033	0.5
204.13841	47.5
205.14568	5.0
206.15363	3.1
208.13364	0.8
214.15997	1.9
220.13402	1.7
221.14146	0.5
222.05812	0.7
222.12978	0.5
222.14935	1.5
223.15555	0.7
224.16490	1.3
230.15309	0.8
232.16959	7.3
235.04089	0.8
239.03781	0.6
240.06909	1.2
250.18132	3.0
258.04556	0.7
260.16492	1.0
264.12387	1.4
272.06046	0.7
277.67554	0.5
282.08002	0.6
286.07504	0.6
324.19809	0.5
336.15686	0.7
340.19168	0.5
342.20923	0.8
350.17624	0.6
354.17081	0.9
363.11267	0.6
363.17291	0.7
368.18747	2.9
370.20187	2.6
372.18045	2.7
386.19650	4.9
395.17807	0.5
400.15695	1.0
402.17569	1.3
404.20807	3.5
408.77631	0.5
413.18787	1.4
418.16919	1.1
420.18457	5.8
436.18198	0.5
438.19492	11.9
445.21167	2.3
472.17868	0.6
480.20807	2.2
489.20624	3.7
490.19058	1.0
507.21594	10.8
525.22687	100.0
526.23322	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87723	1.3
64.42113	1.2
70.06579	4.6
79.05476	7.7
83.01350	1.5
91.05476	10.3
93.07043	3.6
95.04955	3.3
97.96341	1.1
98.06036	1.7
98.26848	1.2
103.05463	7.7
105.07034	29.9
107.04937	2.1
109.06540	2.6
115.05447	4.7
117.07066	2.4
119.06067	2.3
120.05712	2.5
121.06507	29.7
133.06483	8.7
135.08051	100.0
136.08340	1.4
137.06032	6.2
145.06490	19.6
146.07188	1.6
161.05974	25.7
171.08081	3.1
181.06451	1.6
195.08017	4.0
209.09662	2.9
211.07552	4.2
211.11035	1.5
224.08295	4.7
225.09004	2.8
226.09792	4.0
227.07083	1.7
227.10654	3.8
228.07629	1.4
237.09035	3.7
238.09854	3.3
239.07079	1.7
239.10643	3.2
241.08545	3.4
241.12173	4.9
243.10161	2.1
243.36415	1.6
253.08598	3.1
254.09302	10.2
255.10164	14.4
256.10855	10.4
267.10211	8.4
267.13068	1.6
268.10532	3.0
269.11722	72.2
270.12097	6.0
271.09702	2.1
278.75284	1.3
281.11798	1.5
343.13449	1.4
355.13730	1.4
358.11819	2.0
359.12823	14.5
368.56970	1.5
371.12750	2.7
372.13382	10.8
373.14166	4.2
374.14545	1.5
375.12271	2.1
375.58960	1.5
385.14438	3.0
386.15155	1.8
403.15451	6.2
417.17001	8.1
427.18991	2.4
465.20712	1.5
493.20010	10.3
494.20477	5.6
507.21533	4.7
508.22925	1.5
525.22485	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
51.56729	0.5
53.03935	0.6
65.03936	1.0
65.44179	0.4
70.06585	0.8
70.62639	0.5
70.62966	0.4
70.85396	0.4
71.09570	0.4
77.03918	0.8
79.05492	9.3
81.57174	0.4
83.01301	0.5
91.05478	12.2
93.07043	3.3
95.04977	3.5
100.19925	0.4
103.05463	8.8
105.04513	1.3
105.07027	34.3
107.04942	2.0
107.08575	0.7
109.06517	3.5
115.05451	4.2
117.07027	1.5
119.04993	0.7
119.06040	1.9
120.05719	4.5
121.06503	30.0
123.04438	0.5
123.08064	0.7
126.05406	0.4
130.04182	0.5
131.04938	0.8
133.06493	6.9
135.08049	100.0
136.08372	1.7
137.06001	3.8
143.06026	0.5
145.06483	17.3
146.07260	1.8
147.04395	1.0
147.08043	1.0
149.05968	0.9
149.09628	0.7
151.07504	1.1
159.08015	1.3
161.05975	24.7
162.06549	0.5
163.07515	1.5
165.07047	0.5
165.09167	0.5
166.07767	0.6
167.08537	0.7
171.08009	0.7
179.08548	0.6
181.06485	0.6
181.10168	0.6
183.08018	1.1
184.08836	0.8
185.05902	0.6
185.09669	0.8
187.07565	0.5
193.09976	0.6
194.07257	0.8
195.08060	2.7
196.08907	1.5
197.06091	0.5
197.09563	0.9
199.11212	0.9
205.06691	0.5
208.08795	0.9
209.09601	2.6
210.06824	0.8
210.10419	0.5
211.07497	3.0
211.11214	0.8
212.08295	2.2
213.05513	0.5
213.09077	1.5
221.09764	0.6
223.07571	1.3
223.11147	1.0
224.08289	2.5
225.09158	2.0
226.09927	1.6
227.10634	0.7
228.07823	0.6
235.07767	0.5
236.08337	0.6
237.09135	2.7
238.09964	1.9
239.07031	2.4
239.10703	2.4
240.07831	1.2
240.11322	1.1
241.08649	2.2
241.12198	3.6
243.10173	2.3
251.10730	1.3
252.07788	0.6
252.11621	0.7
253.08545	3.6
253.12378	0.7
254.09361	6.1
254.12193	0.5
254.13069	0.5
255.10196	7.8
256.10922	5.5
257.11475	0.6
266.09601	0.7
267.10168	7.8
267.13498	0.9
268.10947	1.1
269.11719	47.8
270.12177	1.1
271.09720	1.2
271.13199	2.1
280.60785	0.4
281.11697	0.6
295.09760	0.7
312.11932	0.5
316.11172	0.6
327.10114	0.5
328.10931	0.5
329.11771	0.9
331.13239	0.5
333.35724	0.5
341.11658	0.6
343.13361	2.0
344.14209	0.8
345.14676	0.8
357.11020	0.8
357.15112	0.8
358.11960	1.5
359.12723	6.5
359.16696	0.5
360.12958	0.6
370.12067	0.5
371.12772	1.7
372.13467	2.4
373.14264	2.0
373.18280	0.9
374.14651	0.9
384.14017	0.5
385.14255	3.3
386.15201	3.2
387.15985	1.0
388.12827	0.5
390.14563	0.9
391.15466	0.6
399.15945	0.6
401.13834	0.7
402.14188	0.7
403.15323	1.3
404.16440	0.7
417.16956	5.0
427.19189	1.0
453.20975	0.5
493.20215	1.6
494.20990	2.4
495.17728	0.6
507.21692	6.3
522.57104	0.5
525.22668	26.1
526.23438	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	525.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03941	0.3
55.01854	0.4
65.03938	0.3
68.99797	0.2
69.69202	0.5
69.69556	0.5
77.03908	0.5
79.05036	0.4
79.05491	7.0
81.07062	0.3
81.42710	0.2
82.07275	0.2
85.06486	0.3
91.05476	5.3
93.07039	1.1
95.04957	1.6
103.05472	5.1
105.03410	0.3
105.04494	0.7
105.07027	25.8
106.07324	0.2
107.04944	1.0
107.08625	0.5
109.06499	1.1
115.05466	1.5
117.07014	0.8
119.04907	0.3
119.06064	0.7
120.05714	2.8
121.06502	11.0
123.08041	0.3
123.93637	0.2
131.04926	0.3
133.06474	2.5
135.08047	100.0
136.08389	1.7
137.05991	1.9
144.05698	0.2
145.06476	7.1
146.07208	0.7
147.08066	0.8
149.06029	0.2
149.09633	0.4
151.07491	0.6
153.07030	0.3
154.99950	0.2
155.08598	0.3
158.07288	0.2
159.08075	0.5
161.05971	9.4
163.07562	0.5
165.07047	0.7
166.03569	0.2
166.07791	0.4
167.08572	0.3
168.05762	0.3
169.06477	0.5
169.10153	0.3
170.10603	0.2
171.08031	0.7
172.37067	0.2
173.09508	0.3
175.07634	0.3
178.07791	0.4
179.08568	0.6
181.06517	0.4
181.10167	0.4
182.07291	0.4
183.08076	2.0
184.08832	0.4
185.09618	0.4
187.07553	0.3
194.07323	0.5
195.08057	1.5
195.11453	0.2
196.08855	0.6
197.05952	0.3
197.09621	0.9
199.11221	0.7
207.08037	0.4
208.08850	0.8
209.09645	1.8
210.06825	0.3
210.10117	0.2
211.07527	2.5
211.11209	0.6
212.08347	1.2
213.09073	0.5
215.10587	0.3
219.08200	0.3
221.05884	0.3
221.09547	0.4
222.06807	0.3
223.07599	0.6
223.11116	0.4
224.08275	1.1
225.09070	1.7
226.09872	0.8
227.10637	2.0
228.07851	0.9
235.07501	0.3
237.09061	2.4
238.09860	1.4
239.06982	1.7
239.10707	0.6
240.07788	0.6
241.08604	2.8
241.12134	1.0
242.09145	0.3
243.10150	2.5
249.09206	0.3
251.10570	0.5
253.08525	1.6
253.12369	0.5
254.09364	3.6
255.10150	15.5
256.10919	9.6
257.11508	0.4
267.10187	4.5
268.10895	0.3
269.11719	22.6
270.12173	0.7
271.09656	4.9
271.12790	0.4
273.12732	0.3
281.11749	0.3
283.09647	0.8
289.12753	0.2
301.09012	0.3
313.12341	0.3
315.10095	0.3
316.10953	0.3
327.13843	0.5
328.10977	0.5
328.14468	0.3
329.11722	4.1
329.15283	0.3
330.12457	0.6
331.13293	0.4
341.11801	0.4
343.09552	0.3
343.13217	2.8
344.14047	2.9
345.14676	0.5
355.13406	0.7
356.14114	0.8
357.11310	0.9
357.15079	0.4
358.11880	2.1
358.15561	0.3
359.12759	25.1
360.13214	1.1
369.14859	1.7
370.12180	0.3
371.12729	3.2
372.13553	10.0
373.14331	2.1
375.12152	1.3
385.14310	9.0
386.15106	1.6
387.12140	0.6
388.12967	0.3
389.13919	0.8
391.15335	0.6
399.16013	0.3
401.13757	1.0
402.14490	2.1
403.15225	1.1
417.16940	6.5
418.17120	0.3
461.17398	0.3
463.18964	0.8
465.20798	0.7
477.20648	0.8
479.18448	1.7
493.20096	23.7
494.20731	4.9
495.21579	0.3
507.21671	1.5
510.20404	0.6
525.22754	20.5
526.23041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04257	1.0
69.44704	1.8
69.45132	1.3
79.17627	0.7
81.05296	2.5
98.23473	1.4
99.06321	12.8
99.06931	0.8
111.71619	0.7
129.52899	0.7
186.29703	0.7
220.01369	0.7
280.57181	0.7
283.95352	0.8
359.31354	7.3
377.32373	25.0
418.35239	1.1
433.34964	1.6
451.36078	31.7
525.39734	100.0
526.39874	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	526.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
57.03434	11.3
59.05007	2.3
61.02927	3.5
69.03432	42.0
70.06590	3.6
71.01347	1.3
73.02916	12.6
75.04454	1.1
79.05492	5.6
81.03425	2.2
81.07053	2.2
84.08125	1.5
85.02901	30.8
85.03412	1.6
87.04467	24.2
91.05465	17.4
95.04934	1.4
97.02891	31.6
97.03502	2.7
98.23438	4.8
99.04461	1.7
105.07029	100.0
109.02847	1.2
109.06527	2.5
111.04447	1.3
111.07954	1.4
115.03931	46.1
123.04440	2.9
127.03918	5.0
129.07047	1.6
133.04967	44.3
133.06511	3.1
135.39331	1.3
137.05975	35.8
141.05447	1.3
145.04927	7.4
147.27286	1.3
149.06009	1.3
150.07637	4.4
151.07515	1.7
155.08548	1.6
160.05183	1.4
161.05986	5.2
173.06029	2.4
179.07056	2.7
197.13339	6.2
201.12766	1.3
209.09486	1.5
215.10670	70.2
216.11029	2.2
220.57753	1.2
225.12787	2.3
227.10594	3.0
234.10533	1.3
239.10674	20.1
241.07108	1.8
243.13831	5.1
246.93971	1.4
251.10646	10.2
257.11725	28.0
259.08148	1.5
261.14914	6.8
277.09198	2.1
278.13602	1.2
281.11743	8.3
293.11700	13.9
305.11749	1.7
311.12753	22.9
323.12756	2.6
329.13763	2.2
341.13846	4.0
347.09534	1.6
347.14838	3.8
377.15778	3.4
526.28729	5.0
527.15619	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	526.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
67.05502	1.1
69.07018	0.6
70.62358	0.7
77.50139	0.5
79.05492	0.5
80.72320	0.6
81.07027	1.6
83.01333	0.8
83.08565	0.6
84.31102	0.5
91.05450	2.3
93.07040	1.2
95.08579	1.4
98.39017	0.5
105.07002	1.6
109.06495	1.4
121.06510	3.5
135.08069	1.2
136.08519	0.6
137.05962	2.1
139.07552	6.0
151.07497	2.1
153.05482	0.8
165.05508	1.1
165.06934	1.0
167.07057	7.6
167.08440	0.7
178.07755	0.6
179.08560	2.4
180.09286	0.6
181.06664	0.6
181.08559	1.8
181.10066	0.8
182.07404	0.5
185.05904	0.7
193.06607	0.7
194.07338	0.8
197.09579	2.4
201.83092	0.5
208.08849	1.5
209.09639	1.1
210.06734	1.4
221.09660	0.7
223.11174	1.4
224.08330	1.5
225.09114	24.9
226.09546	0.7
239.10669	10.5
240.11452	100.0
241.11963	2.8
251.10657	7.4
253.08537	1.1
253.12184	1.6
254.09134	0.9
265.12219	0.5
271.13394	0.7
337.27411	5.7
341.15442	1.1
344.13898	1.4
354.12350	0.6
357.11295	0.9
359.16513	3.3
369.15015	0.9
372.13614	3.1
387.15985	4.5
389.13434	0.9
390.14465	0.8
405.16959	7.5
509.23172	0.6
526.23480	64.8
527.15503	2.0
527.23816	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	526.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85283	0.7
55.05509	1.9
57.07079	1.1
67.05505	3.3
67.49519	0.7
69.07069	2.3
71.15878	0.8
71.44372	0.8
74.70847	0.7
79.05492	1.3
81.07052	4.0
83.08617	1.4
84.70446	0.7
86.09695	1.8
91.05478	9.4
93.07037	5.3
95.08607	3.9
98.98485	0.9
104.10749	1.3
105.07048	3.2
109.06513	1.4
109.10161	1.0
119.06070	1.1
121.06513	14.3
122.06831	1.0
123.11741	1.1
124.05204	1.5
124.99979	1.0
125.05994	4.0
133.10120	0.9
135.08081	4.9
137.05989	1.9
139.07545	6.5
153.05444	4.4
154.67810	0.7
167.07062	6.3
178.07826	1.3
179.08510	1.1
182.10577	0.9
184.07350	2.3
185.07661	1.5
186.07773	2.1
189.08910	0.8
193.10170	2.5
195.08029	1.0
207.08075	1.5
208.08902	0.8
211.11160	3.5
221.09636	1.8
222.10434	0.7
224.08269	3.8
225.09018	2.0
226.09889	0.9
237.09190	1.2
238.09787	1.9
239.10698	22.4
240.11449	4.6
241.12448	1.0
251.10724	3.5
252.11469	0.9
253.08571	1.9
253.12253	6.4
254.13014	65.6
255.10205	1.1
255.13173	1.1
256.10788	0.9
265.12354	1.9
267.10172	4.4
267.13770	1.2
268.10648	4.2
269.11841	2.3
286.27182	0.9
301.12173	0.9
327.13620	1.4
337.27365	17.6
355.13641	1.0
358.12021	1.0
359.12436	1.2
359.16565	2.0
372.13437	1.1
373.14218	1.1
375.12219	1.8
389.13742	1.9
390.14523	1.7
391.62576	0.7
405.16986	3.5
439.30161	1.9
526.23474	100.0
527.15808	2.8
527.23932	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	526.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74521	0.9
53.03941	1.0
55.01866	4.9
55.05509	13.4
57.03438	7.1
59.04990	2.4
67.05504	9.5
69.07059	2.8
69.49574	3.2
71.01327	1.3
71.04984	1.8
79.05491	13.4
81.03416	10.1
81.07058	13.9
81.07511	1.6
83.01336	6.9
83.04977	8.7
83.08616	10.2
85.02901	2.4
85.06543	0.9
91.05475	9.9
93.07043	14.3
95.01232	0.9
95.04957	5.5
95.08608	5.7
97.02888	1.9
97.06527	3.9
97.10142	1.2
98.22773	1.7
99.04463	1.7
105.07043	7.5
107.04983	5.5
107.08590	7.6
109.06523	5.3
109.07139	0.9
109.10184	1.1
111.04431	2.6
111.08089	1.6
112.08743	1.5
117.07037	6.2
119.08613	5.8
121.06493	2.0
121.10160	5.2
123.08061	5.4
125.05984	1.4
125.09624	0.9
130.07803	1.2
131.08572	2.2
133.10126	2.0
135.08028	1.1
135.11696	7.9
137.09665	1.0
143.08461	1.2
145.06458	0.8
145.10121	12.1
147.08012	1.4
153.12740	1.7
155.08614	1.0
163.11186	19.8
163.12454	1.9
173.09618	3.0
181.12270	2.9
191.10638	1.8
209.11642	6.2
227.12778	2.8
236.94363	1.0
283.15393	100.0
284.15659	1.9
363.75388	0.9
491.26401	33.8
492.26547	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01870	7.1
55.05511	13.2
57.03437	9.0
57.07091	2.4
59.04998	2.3
59.76553	1.6
67.05515	12.4
69.07077	5.5
71.04996	2.1
79.05502	20.9
81.03422	9.7
81.07072	15.4
83.01338	3.8
83.04986	8.2
83.08630	9.0
88.03102	1.8
89.06040	2.8
91.05481	11.2
93.07051	23.5
95.04973	8.7
95.08604	20.2
97.02903	3.8
97.06547	4.4
99.04477	3.2
105.07063	9.5
107.04961	8.0
107.08591	19.6
109.02905	1.8
109.06527	4.9
109.10155	1.7
111.04428	2.4
111.08109	3.5
117.07036	7.8
119.08595	8.3
120.44539	1.5
121.06538	4.0
121.10151	7.2
123.08131	4.2
130.07823	2.9
131.08545	3.6
132.08112	2.5
133.10156	6.1
135.08044	2.4
135.11697	24.5
143.08603	2.2
145.06485	2.2
145.10135	21.0
147.08012	2.1
163.11195	36.1
165.39302	1.8
181.12257	5.0
189.09143	2.0
207.22952	1.8
209.11742	4.9
225.11086	2.1
227.12770	41.7
231.12607	3.1
267.15909	7.6
274.14340	7.7
283.15399	100.0
459.27576	3.7
473.25250	2.0
491.26398	57.4
492.26932	2.7
526.36060	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	526.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.2
55.05507	8.4
57.03436	22.2
57.07080	7.5
58.07389	2.3
59.04987	4.4
60.04541	2.5
65.78017	2.3
67.05504	12.4
69.03429	77.3
69.07069	8.1
69.44279	10.4
70.12580	2.1
71.04961	3.1
73.02909	4.3
81.03410	7.1
81.07056	25.0
83.08627	11.1
85.02905	100.0
85.06548	3.3
87.04468	54.2
91.05479	3.7
93.07053	3.2
95.04939	2.2
95.08613	37.1
97.02895	84.9
97.10150	11.4
99.04455	5.1
107.08585	3.6
107.30130	2.3
109.02869	8.1
109.10162	38.2
113.09700	2.6
115.03934	96.9
115.11181	2.4
123.11707	54.6
127.03926	15.2
133.04956	85.7
137.13257	12.2
145.04962	35.9
149.86267	2.1
150.07597	12.4
157.31075	2.1
163.06044	19.2
163.07237	3.3
169.04997	3.0
177.16344	3.8
179.17931	42.4
195.17526	3.1
197.11714	3.0
197.19019	49.7
241.06914	4.2
243.10201	2.3
259.08148	6.0
277.09222	4.5
293.21463	3.4
295.10214	8.9
329.23285	9.9
359.24265	5.2
526.22009	10.0
527.24091	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	526.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32615	6.8
55.05510	32.4
57.03438	21.1
67.05508	75.5
68.17218	6.9
69.03460	9.3
69.07089	20.0
69.45637	32.2
79.05496	100.0
81.03424	66.5
81.07075	69.2
83.04993	21.2
83.08635	30.6
85.02903	20.8
91.05470	66.8
91.14083	6.9
93.07041	74.4
95.04975	57.3
95.08608	28.3
98.22752	16.8
100.12493	7.8
105.07030	60.7
107.04977	20.8
107.08597	22.3
117.07059	9.1
119.08601	45.3
121.06504	8.1
129.07042	25.4
131.08595	13.4
133.10136	22.2
141.03136	8.3
143.08607	10.2
147.11691	44.5
149.09616	11.7
157.10176	13.5
171.11720	27.6
175.11235	15.6
189.12962	8.8
193.12247	36.6
207.13837	26.4
211.13333	50.7
219.73155	7.4
242.83304	6.8
267.15875	56.4
281.17542	77.4
285.16937	54.1
473.29080	84.1
491.30243	90.6
526.35620	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	526.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.8
57.03437	13.4
57.07069	3.1
59.05012	4.0
65.03958	3.2
67.05504	93.6
69.07077	17.6
69.52862	11.0
69.88623	2.4
71.05001	3.5
79.05491	11.1
81.07059	43.7
83.08625	10.9
88.28619	2.8
89.06049	7.5
91.01562	2.6
91.05486	9.2
93.07037	13.1
95.04965	3.2
95.08619	34.5
97.06599	2.6
97.10162	3.2
98.22753	6.1
105.07083	4.3
107.08583	5.8
109.10151	76.3
111.08046	3.4
119.08610	8.5
121.10136	2.6
123.11700	7.3
133.08594	6.4
133.10172	4.2
137.09601	3.2
147.11761	3.3
155.10756	4.4
158.99582	2.7
173.11746	21.9
185.04298	3.0
229.14342	100.0
232.80217	2.7
245.22551	3.9
263.23648	3.3
327.20224	7.5
337.27353	93.9
365.10638	3.9
491.37347	74.7
492.36826	3.2
526.23578	3.2
527.15796	11.7
527.23254	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	526.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.6
57.07077	69.5
69.07069	9.4
69.34225	5.4
71.08632	54.0
72.08154	11.9
73.06547	4.5
74.10085	1.1
81.07110	1.2
83.08618	4.1
85.10184	35.7
87.04474	3.0
88.08929	0.9
89.06033	100.0
95.08598	1.8
97.10152	2.5
99.11729	7.9
107.07095	2.4
111.11726	4.2
113.13287	5.6
117.09136	4.3
118.08698	1.5
125.13286	2.2
127.14857	3.9
130.08649	3.2
131.07054	2.1
133.08609	66.5
177.11226	27.8
198.25894	1.0
221.13878	6.8
239.14896	4.0
254.66286	1.0
256.26337	1.2
265.16473	2.0
271.26318	4.1
283.17538	4.4
315.28979	7.1
327.20142	25.0
406.36908	2.6
421.35098	1.5
465.38098	1.8
508.39609	2.3
509.40515	28.0
510.40646	1.3
525.32062	1.0
526.43176	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	527.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82614	0.7
56.96590	0.8
60.06005	0.7
60.63927	0.7
69.68590	3.1
82.99864	1.7
92.85998	0.9
94.99850	0.9
97.02892	1.2
98.97591	1.4
101.00880	15.0
109.02910	1.0
113.00893	2.3
119.01925	15.6
127.02467	2.3
129.03987	1.9
131.01930	4.6
133.03526	1.4
137.02992	1.1
139.02434	1.9
143.01901	19.8
145.03452	6.5
153.03978	2.8
155.01889	17.2
157.03485	4.6
161.02965	12.7
167.01892	6.0
169.01958	0.7
169.03491	2.4
171.05075	5.9
173.01282	2.3
173.02975	13.2
175.04543	5.8
179.01942	3.2
179.90833	0.9
181.03510	2.9
183.05070	3.9
185.02956	26.2
187.04527	2.2
191.02231	1.1
191.03915	0.8
197.02957	9.4
199.04529	23.1
199.06314	1.7
201.06084	5.1
203.03957	5.9
209.02975	1.0
211.04604	2.6
215.04030	4.5
217.05586	26.9
218.05724	1.2
219.01814	1.8
225.05994	1.1
227.03981	12.2
229.05620	1.5
235.04555	2.0
235.06682	1.2
239.04012	2.2
241.05524	1.1
245.05070	100.0
246.05312	2.5
253.05612	2.2
257.05063	8.9
263.06143	17.0
275.06131	13.0
287.06119	12.1
293.07217	3.1
299.06192	1.7
301.07831	6.2
305.07159	17.1
311.06152	0.8
317.07138	4.9
323.08347	0.9
329.07205	8.0
335.08270	4.5
347.08307	29.0
365.09354	26.8
389.08792	1.0
401.02737	1.6
491.38217	0.9
509.13501	19.8
510.13870	1.2
527.14539	10.9
528.15747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1583
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
69.64774	0.6
69.65180	0.9
74.87330	0.3
98.22751	0.7
131.95317	0.3
143.39610	0.3
154.80188	0.3
185.04211	26.0
195.63034	0.3
203.05264	25.4
204.05643	0.5
275.07474	0.6
347.09470	21.7
348.09760	0.4
365.10547	24.5
366.11017	0.7
441.69366	0.3
513.93323	0.4
527.15826	100.0
528.16156	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	527.2424
Annotation	Cochinchinenene A
Peak:m/z	Relative Intensity
50.43958	0.5
55.01865	0.9
55.05522	0.5
56.05024	1.0
60.04529	0.7
63.01286	0.6
67.05505	1.7
68.05016	1.2
69.03427	2.0
70.06602	3.8
71.45691	0.5
79.05479	2.2
80.05048	2.8
81.05803	0.5
81.06622	0.8
81.07058	8.4
82.06561	0.8
84.04520	0.7
87.02672	0.6
88.02210	2.2
88.04001	0.6
91.05478	2.0
93.07041	2.2
94.06558	3.5
95.08598	1.6
96.08115	1.2
97.06483	0.7
99.04490	1.0
105.07013	1.5
106.06533	1.7
107.08584	1.3
108.08118	1.7
109.06508	2.7
109.10097	0.6
110.09724	0.6
111.08039	0.9
113.02358	1.2
117.07024	0.6
118.06576	0.6
119.08608	0.9
120.08080	2.3
121.10193	1.0
122.09661	4.4
123.04404	0.6
124.07561	0.9
125.05997	1.7
131.08566	0.8
132.08070	0.9
134.09663	4.7
135.11737	0.6
136.11192	2.4
137.05977	8.9
138.09201	1.0
145.10107	0.6
146.09604	1.0
147.07986	0.8
147.51422	0.6
148.11220	1.2
150.09149	4.4
150.12711	0.5
152.10696	2.1
155.08192	0.5
157.05621	1.1
158.09663	0.6
160.11211	1.3
162.09154	1.1
166.06801	0.8
166.08725	0.7
168.08517	0.8
168.10175	2.6
170.06320	1.9
172.11214	0.7
178.12239	0.8
180.08406	0.6
182.11751	2.2
184.07933	1.5
185.04129	0.7
186.09511	0.6
200.12875	0.7
203.05281	0.8
208.13303	3.2
220.13272	1.5
232.13341	1.8
242.13943	0.6
250.14348	1.3
260.16364	1.2
273.12415	0.7
278.21295	0.9
283.12482	0.6
284.13086	0.7
293.20905	0.7
311.22095	1.1
312.19641	0.7
314.17480	0.6
335.05655	0.7
342.20746	1.8
347.09479	1.3
348.16138	2.3
365.10321	0.8
370.20145	4.1
388.21173	9.0
389.21802	0.7
392.18927	1.6
399.23059	0.8
404.18887	1.7
406.22198	9.5
420.18369	9.0
422.19904	4.7
435.19153	0.9
438.19409	4.4
440.21057	5.7
509.23096	6.3
510.24237	0.7
527.24133	100.0
528.24011	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	527.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59455	1.0
61.04715	1.1
69.74029	4.1
91.03209	1.2
103.41862	1.1
154.83873	1.1
160.98241	1.2
455.88965	1.2
527.31915	100.0
528.32153	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	527.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59593	0.2
63.91806	0.2
69.76852	0.4
77.54790	0.1
98.23383	0.3
105.54829	0.2
109.43001	0.2
139.19920	0.2
139.28340	0.2
167.69308	0.2
369.58578	0.2
389.09161	0.2
453.31268	0.3
510.52188	0.2
527.35529	100.0
528.35931	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	527.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44051	0.2
67.83949	0.2
70.03420	0.4
70.03740	0.3
72.96684	0.2
76.90364	0.2
81.07057	0.3
92.13150	0.2
92.40644	0.2
203.05629	0.2
338.27682	0.5
453.31543	0.3
527.35535	100.0
528.36005	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01865	0.6
55.05510	0.4
57.03424	0.4
60.04521	0.8
65.03948	3.0
67.05499	2.8
69.03436	2.8
69.07069	1.1
69.53462	0.6
69.53850	0.8
70.06596	5.3
71.04984	0.6
74.02440	0.8
79.05491	0.9
81.02962	0.5
81.03419	5.8
81.07056	0.9
82.04206	1.2
83.08642	0.4
85.02905	4.7
91.05484	0.7
93.03407	1.3
93.07024	0.7
95.04959	2.1
95.08604	0.9
97.02880	2.2
97.06516	1.3
98.23479	0.5
99.04456	0.7
101.02382	0.4
105.07029	0.6
107.08588	0.6
109.02866	2.1
109.06538	0.6
109.10164	1.3
110.03682	2.2
111.04440	0.8
112.07642	0.6
115.03926	0.4
119.08580	1.8
120.08031	0.5
121.10160	0.4
123.04424	1.2
123.08060	0.4
125.05991	1.2
125.09594	0.5
127.03917	1.8
131.08539	0.4
133.10126	2.1
135.11667	0.4
137.05833	0.3
137.09637	0.4
138.03123	1.2
140.04686	5.9
140.05791	0.4
142.02586	0.6
145.04935	1.0
145.10135	0.4
147.11691	0.5
151.07579	0.4
153.05464	3.6
155.07036	2.5
161.09573	0.4
171.06540	3.9
173.08076	0.3
175.14815	2.5
181.04959	100.0
182.05273	1.5
199.06032	6.0
199.28203	0.3
216.10033	0.4
227.12750	0.4
234.11305	0.9
245.13849	0.9
252.12375	1.0
292.13959	0.8
325.09174	5.6
329.25183	0.8
330.25287	0.4
336.12842	2.6
343.10284	5.1
347.26300	0.7
348.26880	0.4
364.27069	0.4
365.27289	0.7
366.22803	0.7
366.27307	0.5
392.95447	0.3
528.24091	3.1
528.31689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01864	2.1
56.96566	0.9
57.03426	2.1
60.34010	0.6
61.02932	0.8
67.05494	0.8
68.99776	1.3
69.03432	6.0
70.06597	0.7
71.04977	2.0
71.46455	0.7
73.02912	1.8
75.35133	0.6
79.05505	1.4
81.03416	9.3
84.08160	0.7
85.02903	15.8
87.00351	0.7
87.00835	6.5
91.05478	38.2
92.05836	0.9
95.08612	0.9
96.99780	0.6
97.02892	9.9
97.06516	2.0
98.97586	0.8
99.04462	3.8
105.01871	5.4
105.07032	6.8
107.04907	0.8
109.02884	10.4
110.03661	0.7
113.06017	1.3
116.98636	1.0
117.01838	1.3
117.07047	3.0
121.06506	2.3
123.04375	1.1
125.05994	2.9
127.03906	11.8
129.01813	1.1
129.06978	4.6
131.08586	1.1
133.06505	0.7
137.05991	2.1
141.05431	1.0
141.07066	0.9
143.08554	1.6
145.04948	3.7
151.07558	1.2
155.08510	1.4
157.10132	4.9
159.02863	3.2
166.07835	0.8
167.07008	1.0
171.11482	0.8
175.11104	1.7
181.10101	2.1
183.08084	1.6
183.11581	0.8
185.09656	3.3
199.11169	5.9
201.09082	2.1
201.12860	0.9
203.10663	33.0
204.10974	1.2
213.03914	1.5
217.12260	2.0
227.10616	3.7
229.12236	5.6
231.05003	1.5
245.11731	100.0
246.12000	3.1
257.11707	2.0
263.12802	12.6
273.12952	0.7
273.76416	0.6
285.11206	0.7
287.12753	4.7
303.18579	0.6
311.12888	1.3
329.13791	3.2
353.13800	4.4
371.14999	4.8
389.16022	0.6
457.14801	2.3
475.15836	0.9
487.12762	1.6
528.15588	1.1
528.25293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01873	10.8
55.05514	27.9
57.03440	18.8
59.05014	3.1
65.03938	2.1
67.05510	26.2
69.03435	5.2
69.07079	8.1
71.04998	6.9
77.03931	2.1
79.05491	34.6
81.03423	58.4
81.07055	36.4
83.01337	9.4
83.04985	25.5
83.08623	24.5
85.02907	18.7
85.06538	3.1
91.05482	34.2
93.07041	33.4
95.04970	25.0
95.08607	12.6
97.02914	4.8
97.06549	6.5
97.10183	3.8
99.04478	3.8
105.04501	2.2
105.07036	26.1
107.04933	12.1
107.08606	15.3
109.06521	8.2
109.10167	1.7
111.04471	4.6
111.08094	9.1
113.06020	2.3
117.07051	6.5
119.08585	21.9
121.06532	2.6
121.10149	14.0
123.08044	9.2
125.06003	2.0
125.09641	2.9
129.07016	9.3
130.07796	2.5
131.08578	11.4
133.10123	11.7
135.08090	2.2
135.11665	8.1
137.09645	2.9
142.07773	2.0
145.10124	12.8
147.08072	4.7
147.11644	10.9
149.09641	4.7
151.11192	1.6
153.12811	2.2
157.10136	10.8
157.90936	1.7
163.11185	24.4
165.12683	1.9
173.09653	2.4
175.11205	14.9
181.12268	2.6
193.12234	41.4
209.11716	8.2
211.13298	81.6
224.44225	1.9
227.12834	4.1
267.15903	13.5
283.15399	100.0
284.15811	2.3
285.16983	59.7
352.38065	1.7
383.21628	1.7
475.26959	14.0
493.27988	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41819	2.9
52.80813	3.4
55.01873	4.2
55.05514	19.8
57.03449	18.6
67.05514	32.1
69.07085	12.5
70.37256	4.4
71.05006	7.3
77.02518	3.3
78.76077	3.6
79.05499	44.2
81.03427	55.8
81.07064	43.0
83.04984	14.4
83.08620	29.3
85.02923	28.0
91.05489	40.6
93.07046	50.8
94.07384	4.0
95.04976	28.4
95.08606	48.0
97.02901	5.8
97.06529	5.1
97.10193	3.8
99.04465	7.3
99.08039	3.6
105.07034	36.8
107.04951	14.6
107.08601	37.3
109.06517	8.9
109.10173	4.4
111.08119	9.0
112.08713	6.2
113.05991	5.1
117.07021	14.5
119.08582	25.9
121.10148	20.3
123.08087	6.8
123.11681	4.5
125.06053	3.1
129.07033	9.2
131.08565	10.4
133.10158	13.5
135.11703	56.3
139.07489	4.6
145.10164	31.6
147.11693	16.0
150.05254	2.9
157.10136	15.3
163.11197	63.5
175.11189	11.6
181.12286	12.4
191.15770	3.1
193.12273	37.8
195.75555	3.4
209.11720	4.4
211.13333	53.3
221.83591	3.4
227.12791	83.5
267.15961	27.0
283.15411	73.9
283.18295	6.1
285.16980	100.0
326.22891	3.3
337.40930	3.2
355.04315	3.3
355.22775	3.2
475.26996	24.4
493.28061	83.8
494.28638	4.1
511.84268	3.7
553.54565	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05247	0.8
55.05504	3.7
57.07079	29.3
59.05011	1.0
61.71544	0.9
67.02345	0.8
67.05500	3.0
69.07066	1.5
70.19035	1.7
71.08633	24.5
73.06567	7.3
79.05501	2.6
81.03402	2.8
81.07057	2.1
83.08630	4.7
85.10188	24.7
87.04479	4.3
89.06036	100.0
91.05476	1.8
93.07054	2.3
95.04973	1.2
95.08595	2.1
97.10181	1.7
99.11738	3.0
105.07018	1.2
107.07059	3.2
110.67594	0.9
111.08123	1.3
117.09139	5.6
130.08670	1.8
131.07057	1.5
133.08611	49.9
135.10117	1.4
141.16389	4.8
142.64638	0.8
145.10124	0.9
161.11696	1.6
177.11235	21.8
185.19061	5.8
187.15166	0.8
201.75702	0.9
221.13863	5.1
222.24812	0.9
229.21617	12.8
239.14880	1.1
265.16528	1.3
273.24265	7.2
283.17563	2.5
327.20175	1.6
335.27850	1.2
362.70969	0.9
371.22751	7.4
423.33157	1.3
467.35641	2.2
511.38443	14.6
528.37311	5.6
529.27759	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	529.2224
Annotation	Cinnabarone
Peak:m/z	Relative Intensity
50.01603	0.3
51.02382	0.7
53.03945	0.6
58.03557	0.2
63.29318	0.2
65.03939	5.7
67.05483	0.4
71.22357	0.3
77.03944	0.9
79.05493	7.4
83.01331	0.4
91.05479	54.9
92.05811	0.6
93.07044	13.9
95.04965	2.7
103.05473	5.6
105.04536	1.5
105.07030	27.1
106.04172	1.2
106.07395	0.3
107.04967	2.5
107.08601	0.5
109.06519	11.8
115.05440	0.2
119.04941	0.2
119.05128	0.3
119.06068	9.0
120.05719	3.7
121.06504	94.8
122.06812	1.2
124.05190	0.5
135.08051	100.0
136.08388	1.5
137.05975	2.7
145.06551	0.3
147.08066	0.3
149.09628	0.2
151.07520	1.1
153.05463	0.2
159.08066	1.2
165.07034	0.6
166.07819	0.2
171.08093	0.4
175.07576	0.3
177.09116	1.0
179.08530	0.4
181.06514	0.3
182.07295	0.6
183.08041	0.3
185.05869	0.3
187.07544	1.7
197.09637	0.5
197.95822	0.2
210.06694	0.4
211.07494	0.4
213.09036	0.3
215.06659	0.3
224.08301	0.3
225.09187	1.3
227.10738	0.4
239.10878	0.3
241.08586	0.9
241.12277	0.9
243.10123	0.6
243.28653	0.2
253.08630	1.6
254.09344	0.4
255.06320	0.3
255.10104	0.6
257.11798	1.1
258.05185	0.3
259.13348	0.9
267.10147	0.4
269.08090	0.8
269.11700	0.4
271.09607	1.3
273.07480	1.0
283.09625	0.3
285.11243	0.3
287.09128	0.7
295.09659	0.4
299.08939	0.3
313.10571	0.5
361.14145	0.2
367.49609	0.2
371.12897	0.3
377.13748	0.8
385.14178	0.5
389.13776	0.8
403.15359	1.7
408.15390	0.3
421.16547	1.7
451.18362	0.2
465.20642	0.3
483.21652	0.5
493.19916	0.7
501.22546	0.3
511.21179	3.9
529.22290	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97204	0.3
54.06636	0.3
55.01863	0.5
55.05508	0.5
58.06580	0.4
67.05499	0.8
68.05024	0.3
69.03425	8.4
70.06593	6.5
71.04988	1.7
75.02711	0.6
78.72963	0.4
79.05491	1.0
80.03236	0.3
80.05008	0.5
80.87687	0.3
81.07054	2.2
82.06558	0.3
83.04982	0.6
83.07346	0.5
84.08177	1.8
86.09703	0.7
87.02650	0.3
91.05477	1.0
93.07048	1.2
94.06562	0.4
95.04964	0.4
95.08603	1.5
96.08141	1.4
97.02942	0.5
98.06081	0.4
99.02670	0.4
99.04469	0.5
105.07021	0.7
107.08593	2.6
109.06531	1.0
109.08839	0.4
109.10151	0.5
110.09668	1.8
111.08074	5.2
115.02156	3.2
119.08601	0.7
122.09682	1.2
123.08115	0.7
124.11203	0.8
125.04233	1.7
125.05974	0.7
125.09634	0.6
130.25380	0.4
132.01106	0.5
134.09692	0.5
136.06157	0.4
136.11244	0.9
137.05972	3.9
138.09090	0.4
138.12875	0.5
139.81100	0.4
143.05272	1.7
145.10207	0.5
150.09167	0.8
150.12813	0.4
151.05730	0.4
152.10739	1.4
161.20016	0.4
162.12787	0.6
164.14380	0.6
166.12350	0.4
166.15952	0.9
168.10135	0.6
170.11766	0.6
171.04764	1.8
175.11243	0.8
176.14389	1.0
178.16057	0.4
182.11742	2.4
184.13260	2.0
186.05884	1.2
196.13309	0.5
200.12877	0.7
208.32236	0.4
212.07472	0.4
221.11827	0.7
226.34248	0.4
227.10982	1.7
232.06354	0.6
234.14932	0.5
236.16556	1.7
248.20059	0.7
255.10458	2.1
258.07999	1.2
262.18036	0.6
264.19577	1.0
269.10870	0.5
278.17676	0.4
292.19211	0.8
296.13211	0.5
316.19238	0.6
325.76477	0.4
342.13937	0.4
346.23688	1.8
348.25439	0.7
350.17789	3.1
364.25146	0.7
376.21002	0.4
380.22479	0.9
390.22769	3.9
408.23694	2.2
424.21481	15.1
425.22134	0.5
442.22525	6.0
450.23032	0.8
466.22476	2.4
467.26080	1.0
468.24149	0.8
484.23190	1.6
485.26801	0.7
511.24774	4.4
529.25757	100.0
530.26184	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	529.2583
Annotation	CHEBI:67286
Peak:m/z	Relative Intensity
53.03946	0.2
55.01870	0.2
55.05497	0.5
55.45839	0.2
58.06599	0.4
58.99577	0.2
67.05500	1.2
68.05031	0.4
69.03426	8.9
69.03805	0.4
70.06592	7.6
71.04987	1.8
72.08145	0.5
73.01139	0.3
75.02696	0.2
79.05499	1.3
80.05001	0.5
81.07049	2.2
82.06579	0.5
83.04973	0.6
84.04520	0.2
84.08141	2.0
85.01118	0.3
85.06528	0.3
86.00653	0.3
86.06063	0.3
86.09700	0.6
87.02693	0.5
88.03992	0.2
91.05454	1.0
93.07027	1.7
94.06559	0.9
95.04986	0.5
95.08603	1.3
96.08127	1.1
97.02881	0.6
97.06524	0.6
97.08922	0.6
99.02632	0.3
99.04453	0.3
101.00629	0.3
103.02145	0.4
105.07026	0.7
107.08607	1.9
108.08096	0.6
109.06507	1.1
109.08875	0.2
109.10137	0.5
110.07160	0.4
110.09666	1.8
111.02663	0.7
111.07317	0.4
111.08080	5.6
113.00578	0.4
113.04239	0.2
115.02145	3.4
117.06982	0.2
119.08572	0.7
120.08110	0.4
121.06522	0.3
121.10143	0.3
122.09665	1.6
123.08067	0.4
124.11240	0.8
125.04220	1.5
125.06002	0.4
125.09594	0.9
127.05807	0.5
129.10213	0.5
131.01620	0.2
131.08539	0.4
132.01161	0.4
133.10114	0.5
134.09647	0.6
135.08046	0.7
136.07556	0.2
136.11198	1.2
137.04185	0.3
137.05971	2.0
137.09654	0.3
137.12044	0.4
138.12794	0.7
139.05743	0.3
141.03677	0.5
143.05240	1.5
145.10112	0.4
146.09651	0.2
147.08081	0.2
148.11220	0.4
149.09622	0.5
150.09181	1.0
150.12767	0.6
151.05748	0.2
152.10666	1.5
153.03612	0.2
154.12209	0.3
159.03412	0.3
160.11174	0.4
162.12788	0.6
163.11232	0.2
164.10696	0.3
164.14383	0.9
166.06805	0.3
166.15952	1.0
167.05246	0.2
168.10204	0.6
169.03143	0.3
169.06828	0.5
170.11792	0.7
171.04755	1.8
175.11192	0.8
176.14383	0.7
177.12749	0.4
178.12328	0.2
178.15913	0.7
179.16643	0.3
180.10085	0.2
181.06868	0.3
182.11755	3.8
184.13313	2.1
185.04979	0.2
186.05864	0.9
188.03786	0.3
190.15930	0.6
192.17401	0.3
193.12308	0.5
194.15504	0.3
196.13321	0.4
197.06291	0.2
200.12883	0.7
203.10669	0.2
206.15514	0.3
207.10013	0.3
208.13226	0.3
209.10025	0.4
210.14879	0.4
211.11620	0.2
212.07387	0.4
220.13443	0.2
221.11732	0.2
222.14818	0.3
227.11029	1.5
232.06393	0.3
234.14905	0.5
236.16454	2.6
237.09425	0.2
238.14313	0.3
245.68405	0.2
246.18616	0.3
248.20079	0.7
250.14485	0.2
252.15944	0.4
253.08942	0.3
253.38878	0.2
254.17572	0.3
255.10526	2.1
258.07907	1.2
262.18079	0.7
264.19574	1.6
269.10757	0.3
272.20090	0.2
274.21613	0.3
278.17670	0.3
280.19019	0.3
281.12128	0.3
292.19153	0.7
296.13226	0.9
302.17593	0.4
324.16519	0.3
342.13672	0.3
346.23709	2.2
347.24536	0.3
348.25198	0.4
350.17816	3.5
362.23187	0.7
364.24780	0.4
376.21173	1.3
380.22348	1.1
390.22769	2.7
392.18942	0.4
394.22278	0.4
406.24539	0.3
408.23743	1.4
411.19601	0.3
424.21500	15.1
425.21606	0.4
437.21307	0.6
442.22552	6.5
450.23105	2.0
466.22614	2.0
467.25763	0.8
468.24173	0.9
484.23627	1.3
485.26804	0.7
511.24738	4.8
529.25745	100.0
530.26202	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00390	0.3
54.44635	0.3
55.05517	0.8
56.05032	0.5
57.03402	0.4
58.06595	0.6
67.05499	0.9
67.08305	0.4
68.05023	0.4
69.03427	9.2
69.40890	0.8
69.41288	1.4
70.06592	8.3
71.04987	2.1
72.08136	0.7
75.02717	0.8
79.05487	1.5
80.05008	0.5
81.07051	2.2
82.06572	0.4
83.04976	0.5
84.08127	2.3
86.09717	0.9
87.02660	0.6
91.05490	1.1
93.07044	1.1
94.06583	0.8
95.08608	1.9
96.08133	1.3
97.02908	0.6
97.06531	0.6
97.08909	0.8
99.02680	0.4
99.04482	0.5
103.02262	0.4
105.07035	1.0
107.08601	1.8
108.08155	0.7
109.06535	1.3
109.10201	0.5
110.09675	1.9
111.02660	0.8
111.08076	5.2
113.90739	0.4
115.02167	2.7
119.08598	0.8
120.08125	0.5
122.09664	1.7
123.08092	0.7
124.11258	0.8
125.04216	1.9
125.06049	0.4
125.09643	0.6
131.01633	0.5
131.08623	0.5
132.01164	0.5
134.09653	0.6
135.08038	1.0
136.06241	0.5
136.11234	0.8
137.05983	3.6
138.12778	0.5
141.03656	0.6
143.05272	1.7
145.10202	0.6
149.09587	0.5
150.09145	0.7
152.10704	1.5
153.03665	0.6
154.12265	0.4
162.12781	0.6
164.14429	1.2
166.15935	1.1
168.10271	0.6
170.11769	0.6
171.04770	1.3
172.02817	0.4
175.11261	0.6
176.14366	0.5
177.12747	0.5
178.15913	0.5
181.06943	0.4
182.11780	4.1
184.13319	1.8
185.05049	0.4
186.05809	1.0
190.15970	0.6
193.12187	0.5
200.12837	0.7
210.15063	0.4
218.57411	0.4
221.11649	0.8
227.11021	1.7
232.06296	0.5
236.16444	1.7
240.07056	0.5
248.20166	1.0
253.08974	0.5
255.10585	1.6
258.08032	0.7
264.19574	1.3
292.19171	0.5
296.13171	1.0
310.20358	0.4
316.19263	0.7
327.54553	0.4
342.13583	0.4
346.23730	1.6
348.25592	0.7
350.17883	3.2
364.24753	0.8
380.22565	1.4
390.22751	5.0
408.23846	2.0
424.21518	15.5
442.22607	7.3
442.28290	0.4
450.22971	0.9
466.22409	2.5
467.25742	1.1
468.24326	0.7
484.23654	1.6
485.26895	0.8
511.24835	5.4
529.25775	100.0
530.26160	2.9
530.32922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49700	0.2
55.01866	0.4
55.05517	0.5
58.06592	0.6
58.99596	0.2
59.71724	0.2
62.29984	0.2
64.57544	0.2
65.03932	0.2
67.05505	1.0
68.05038	0.4
69.03431	8.6
69.59761	0.6
69.60162	0.5
70.06235	0.4
70.06594	6.5
71.04990	1.6
73.01162	0.2
75.02710	0.5
79.05494	1.2
80.05010	0.6
81.07055	1.9
82.06573	0.4
83.04987	0.3
84.04505	0.3
84.08141	2.0
85.01144	0.3
85.06532	0.3
86.00650	0.2
86.09728	0.6
87.02682	0.5
91.05486	0.9
93.07047	1.6
94.06571	0.8
95.04967	0.4
95.08608	1.3
96.08101	1.2
97.01124	0.2
97.02905	0.4
97.06541	0.5
97.08952	0.5
98.23380	0.4
99.02707	0.5
99.04460	0.4
103.02152	0.2
105.06999	1.1
107.08614	1.6
107.09229	0.3
108.08120	0.4
109.06527	0.8
109.10178	0.5
110.06037	0.2
110.07149	0.4
110.09674	1.9
111.02668	0.7
111.08086	4.8
111.08834	0.3
113.00581	0.3
113.04271	0.3
115.02151	3.0
118.18008	0.2
119.08606	0.8
120.08101	0.5
121.06499	0.3
122.09660	1.3
123.08083	0.6
124.11251	0.6
125.04198	1.5
125.06048	0.4
125.09634	0.8
126.03707	0.2
127.05783	0.4
129.10257	0.7
131.01619	0.4
131.08588	0.2
132.01169	0.7
133.10059	0.5
134.09674	0.6
135.08032	0.7
136.11230	0.9
137.05997	2.8
137.09654	0.3
137.11993	0.4
138.12791	0.6
139.05724	0.3
141.03682	0.4
143.05261	1.9
145.10153	0.4
148.11252	0.5
149.09622	0.3
150.09160	0.7
150.12813	0.4
151.05772	0.5
151.07579	0.3
152.10712	1.3
153.03682	0.5
154.12285	0.4
157.49409	0.2
159.03610	0.2
159.11725	0.3
162.12762	0.5
163.11208	0.3
164.10747	0.4
164.14375	1.0
166.15906	0.8
168.10225	0.7
169.06891	0.5
170.11789	0.8
171.04771	1.6
172.04346	0.2
174.12787	0.3
175.11227	0.8
176.14308	0.5
177.12819	0.5
178.15948	0.9
180.10284	0.2
182.11751	4.8
184.13318	1.5
185.05099	0.4
186.05865	1.0
190.15961	0.7
192.17485	0.2
193.10625	0.2
193.12303	0.7
194.15536	0.3
196.13300	0.5
200.12929	0.4
206.15427	0.3
209.09979	0.3
210.14969	0.3
212.07484	0.6
221.11736	0.4
227.11014	1.2
228.47237	0.2
232.06453	0.7
234.14923	0.5
236.16435	2.2
237.09390	0.3
246.18581	0.4
248.20111	0.5
254.17575	0.4
255.10544	1.8
258.08060	0.9
262.18069	0.7
263.11041	0.2
264.19574	1.7
269.10913	0.5
274.21500	0.2
278.17618	0.5
292.19202	0.6
296.13254	0.7
302.17758	0.2
304.18863	0.2
324.16159	0.4
342.13922	0.4
346.23761	1.9
347.24527	0.3
348.25272	0.3
350.17874	3.0
362.23358	0.6
364.24939	0.5
376.21011	1.0
380.22534	1.1
390.22769	2.0
392.19052	0.4
394.22382	0.5
398.23950	0.4
408.23959	1.5
424.21530	13.0
425.21698	0.7
437.20908	0.5
442.22577	6.4
450.23080	2.0
466.22580	2.1
467.25659	0.6
468.24060	0.9
484.23480	1.4
485.27148	0.5
511.24786	5.4
529.25775	100.0
530.26154	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	529.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.2
54.13114	0.2
55.05500	1.3
56.05038	0.2
57.05794	0.2
58.17411	0.2
60.04519	0.6
67.05487	0.3
69.07066	5.9
72.04526	0.3
72.08152	7.6
77.03933	0.4
86.09704	47.7
87.10020	0.3
91.05492	0.2
93.03395	0.3
95.04943	0.6
103.05460	0.3
104.04996	0.4
105.03384	20.5
105.07034	0.4
106.06540	0.2
110.06019	0.3
115.05470	0.3
116.04955	0.8
121.06538	0.4
128.06250	1.1
128.10712	23.1
129.03354	1.4
129.06979	0.9
130.59099	0.2
131.04958	0.2
134.06052	0.3
135.08029	0.3
136.98203	0.2
142.06497	0.2
143.07449	0.2
143.08556	3.0
144.09341	0.7
150.06737	0.2
153.06982	0.7
154.06531	0.3
155.06216	0.2
155.07280	1.1
156.04433	8.2
156.10201	2.5
162.05473	0.2
165.09091	0.4
167.07101	0.5
170.09639	4.1
171.08037	0.6
172.03912	0.3
180.08095	0.5
181.08734	0.2
183.06802	4.8
184.07562	0.3
189.06615	0.6
190.04991	2.1
198.09128	6.5
225.10391	1.0
226.08537	3.5
226.10507	0.2
243.11288	8.4
244.09671	100.0
245.10059	2.0
246.10191	0.2
257.12906	0.7
261.12384	0.3
278.12863	0.2
279.13321	0.2
283.13223	0.3
284.13635	0.9
293.16376	0.4
303.13385	0.7
309.14493	0.2
310.15152	0.3
311.17523	34.6
312.17963	0.6
328.20151	2.3
339.17029	2.1
340.16644	0.2
357.18069	71.7
358.18484	1.8
374.20721	12.4
375.20947	0.4
395.67755	0.2
399.05731	0.2
404.86398	0.2
458.82651	0.2
467.51682	0.2
483.29474	1.0
487.29272	1.3
496.11212	0.2
529.15405	0.2
529.23077	0.3
529.30255	0.4
543.63293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3143
Annotation	Milbemectin
Peak:m/z	Relative Intensity
57.07081	11.5
65.12553	2.1
69.39310	3.5
69.39709	8.4
71.08631	8.9
71.85840	2.3
74.24346	2.0
85.10193	5.8
85.22729	1.9
87.04467	2.5
89.06039	33.4
90.06377	2.9
99.11780	2.8
106.11468	2.0
109.26633	2.1
117.09115	3.1
131.08652	2.1
133.08601	13.5
134.08997	3.0
135.76047	1.9
177.11156	2.9
186.21078	2.0
229.05933	2.2
256.26559	2.5
274.24542	2.9
280.85187	2.5
305.66046	2.5
372.23193	2.8
385.18607	2.2
512.38800	3.0
529.31256	100.0
530.31659	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	529.3136
Annotation	Milbemectin
Peak:m/z	Relative Intensity
50.28911	2.4
58.61514	2.5
69.75544	8.7
96.38126	2.6
111.27780	3.4
170.09509	3.0
172.57721	2.6
351.21838	2.8
381.23093	5.0
437.25565	4.4
529.31378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25153	0.1
53.03949	0.3
55.01868	0.2
55.05512	1.8
57.03445	1.0
57.07085	0.2
58.29019	0.1
60.56319	0.2
63.02383	0.5
65.03942	0.4
67.05505	6.9
69.07078	0.8
69.16728	0.3
69.17139	0.7
71.04999	0.2
73.14781	0.1
75.47284	0.1
77.03940	0.2
78.04741	0.3
79.05489	3.2
81.07060	5.5
83.04998	0.2
83.08629	0.4
89.03915	4.9
91.05475	2.1
93.07040	2.4
95.04954	0.6
95.08610	3.8
97.06498	0.2
99.08099	0.2
103.05480	0.3
105.07037	1.0
106.04182	0.3
107.08582	1.2
109.10168	0.9
117.03377	15.9
117.07049	0.4
119.08607	0.4
121.06437	0.2
121.10127	0.7
123.08130	0.1
123.11716	0.2
124.93793	0.2
125.26455	0.1
129.04544	0.2
131.08560	0.4
133.10112	0.4
134.03610	1.1
135.04413	0.8
135.11644	0.5
145.02844	41.4
145.10089	0.2
146.03169	0.4
147.11684	0.3
149.05971	5.1
149.13254	0.2
158.06009	0.4
162.03181	0.3
163.03902	0.6
177.05466	100.0
178.05811	1.2
182.53763	0.1
186.05498	2.6
195.06544	0.7
198.97424	1.6
221.56483	0.2
237.45445	0.2
251.09160	0.4
256.26440	0.2
261.21997	0.2
303.44351	0.2
362.33676	0.2
529.24774	0.8
529.31403	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32521	0.6
71.44929	0.6
84.15579	0.6
112.50971	0.6
167.36200	0.6
275.98026	0.5
326.92877	0.6
409.17163	0.7
455.29379	0.8
529.33490	100.0
530.33795	5.1
550.63293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.9
57.03438	2.4
57.07070	2.9
58.68877	1.2
65.03941	1.6
67.05504	17.2
69.07074	8.8
69.50274	6.1
70.06585	1.5
71.05013	1.4
79.05486	14.2
81.06621	2.4
81.07056	21.2
83.08612	4.8
85.06586	1.8
91.05491	13.2
93.07043	18.3
95.04971	2.7
95.08601	12.4
97.06562	2.3
105.07047	13.7
107.08575	7.5
109.10164	5.4
109.19773	1.2
117.07001	7.9
119.08571	13.0
121.10153	6.0
123.11713	1.7
129.07027	5.2
130.07863	1.3
131.08559	13.1
133.10132	7.3
134.26405	1.4
135.11707	3.9
143.08595	4.3
145.10132	12.1
147.11697	5.0
148.74457	1.5
149.13237	2.5
155.08611	4.2
157.10167	5.8
159.11751	7.4
161.13287	4.1
169.10124	4.4
171.11734	5.6
171.24847	1.5
173.13261	3.9
175.14761	2.5
180.45348	1.3
181.10158	2.7
183.11792	1.8
184.80011	1.4
185.13281	3.7
187.14899	4.5
193.93959	1.4
195.11717	2.3
197.13385	3.1
199.14844	4.4
201.16394	2.4
211.14839	1.8
213.16438	2.0
223.14893	1.8
225.16341	2.1
255.21057	1.9
265.19543	1.4
283.26550	2.0
315.22946	1.5
317.24777	2.5
419.33228	2.5
437.34177	11.1
455.35239	5.3
473.36404	2.6
511.37784	5.8
528.49939	1.5
529.16400	2.3
529.38898	100.0
529.50653	3.1
530.39435	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	529.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01872	3.0
55.05511	57.0
57.03439	37.0
57.07077	62.6
59.05004	2.2
65.03948	1.9
67.05506	70.3
67.67754	0.9
69.03474	1.1
69.07068	88.4
69.41490	5.1
70.07396	1.0
71.04996	5.4
71.08632	43.6
73.06566	2.6
75.04478	10.9
79.05490	25.3
81.07056	93.5
82.07414	1.1
83.04977	5.7
83.08620	67.5
85.06544	6.6
85.10184	21.0
87.04468	2.6
87.08096	1.7
91.05482	8.3
93.07046	42.4
95.04982	2.4
95.08606	100.0
96.08949	1.1
97.06530	18.6
97.07101	1.3
97.10172	50.0
98.22655	1.8
99.08105	4.2
99.11751	2.4
101.06033	2.4
105.07050	5.3
107.08594	28.9
109.10158	43.6
111.08078	11.0
111.11722	14.9
113.06021	3.4
113.09669	2.6
115.07591	3.3
119.08605	4.1
121.09270	2.5
121.10143	41.0
123.11711	17.8
125.09644	10.5
125.13287	3.9
127.14817	1.2
129.09155	2.7
131.07051	8.2
131.08612	2.3
133.10178	3.6
135.11694	29.7
137.13228	8.5
139.11179	10.8
139.14847	1.2
143.10727	3.3
145.10107	1.3
147.11691	1.8
148.04700	0.9
149.13268	16.2
151.14879	4.6
153.12779	6.7
153.16467	1.4
157.12241	2.3
161.13281	2.1
163.14819	9.8
165.16428	1.8
167.14313	5.3
169.10193	1.2
171.11624	1.1
171.13838	2.4
175.14813	1.8
177.16422	5.8
179.18077	1.1
181.15909	3.7
184.49460	1.0
185.15434	1.9
191.18013	3.0
191.35023	1.1
195.17487	2.7
199.16933	2.7
205.19466	2.1
209.19032	1.7
213.18623	2.6
219.21153	2.3
223.20642	2.2
223.73854	1.0
227.20128	1.3
237.22292	1.5
247.24304	1.6
249.22485	1.6
251.23654	1.3
256.26431	3.6
261.25778	2.1
263.23758	2.8
265.25198	2.7
275.27460	1.3
279.26770	1.3
317.32062	7.3
327.30530	3.0
335.33124	13.2
345.31586	15.5
363.32581	43.8
364.33093	1.8
381.33926	2.2
399.34702	74.7
400.35199	2.4
437.36270	56.3
438.36615	1.7
443.97073	1.0
455.37286	71.9
456.37308	2.0
507.95093	1.1
511.39896	34.8
529.40985	85.0
530.40906	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	530.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.16786	0.4
63.02348	0.5
63.51328	0.4
69.03429	1.2
69.23704	0.7
69.24108	1.5
70.06590	0.8
73.43163	0.4
81.03415	3.4
85.02898	1.4
86.09701	1.5
89.03915	5.1
91.05459	0.5
97.02879	0.6
98.51907	0.4
99.04447	0.5
109.02872	1.2
117.03379	16.6
118.06564	0.4
119.08511	0.4
127.03912	0.5
130.04088	0.4
134.03609	0.7
135.04425	1.0
135.63022	0.4
137.05960	0.4
145.02843	40.6
146.03259	0.6
146.05998	17.9
149.05988	6.0
163.03888	0.5
177.05463	100.0
178.05806	1.3
186.05501	1.2
188.07135	0.5
192.06554	7.1
195.06590	1.8
197.82126	0.4
217.78940	0.4
219.10060	0.4
248.14003	0.4
282.07486	0.7
305.16614	0.5
321.09656	5.6
332.15646	0.5
338.10983	0.7
339.10724	4.3
530.26215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14735	1.2
53.03939	3.2
55.01861	3.6
55.05507	2.8
57.03442	6.8
60.25146	1.2
61.02931	8.5
67.05497	2.9
69.03065	2.3
69.03426	32.5
69.07065	2.0
71.04982	3.6
72.08154	1.7
73.02898	7.7
79.05473	3.9
81.03420	20.0
81.07035	3.7
83.04956	2.8
83.08601	1.3
84.08134	4.7
85.02905	99.4
86.09692	1.5
87.03963	2.1
87.04465	25.4
90.14175	1.2
91.03947	5.3
91.05474	2.9
93.07043	4.1
95.04971	1.9
95.08572	2.0
97.02888	39.5
97.06513	1.8
98.22614	2.2
99.04457	7.8
101.02376	1.3
103.03927	3.5
107.04980	1.6
107.08575	3.3
109.02876	18.7
109.10165	1.8
111.04401	1.6
115.03930	100.0
119.08568	1.9
121.10157	4.3
127.03915	57.5
127.12313	5.1
129.06982	1.3
131.08423	1.8
131.51482	1.3
133.04967	52.5
134.05351	1.2
135.11682	1.9
145.04951	58.8
145.10109	2.3
148.09328	1.2
149.09584	1.5
153.12772	1.5
157.04982	2.4
160.69623	1.3
163.06010	13.3
164.48334	1.3
173.09653	1.1
178.77609	1.1
187.06064	1.4
189.09366	1.3
189.11191	2.9
209.11722	7.6
227.12772	2.0
241.07132	7.4
241.14351	2.5
254.13838	6.7
259.08121	18.4
262.82996	1.5
277.09195	56.7
280.52158	1.4
283.15387	13.2
294.47833	1.2
301.16431	5.3
356.82156	1.4
421.12851	1.5
512.22308	1.4
530.23901	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	530.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01875	3.1
57.03440	4.8
59.50648	0.8
61.02924	7.7
67.05500	0.9
69.03431	29.2
69.62914	1.7
69.63271	3.4
70.06583	1.1
71.04993	3.6
73.02910	7.5
78.28029	0.8
80.93887	0.8
81.03416	17.4
84.08140	2.7
85.02906	96.0
87.04467	22.5
87.05003	1.0
91.03962	7.2
97.02258	1.7
97.02894	33.0
99.04451	7.3
101.02377	1.1
103.03936	2.0
109.02879	16.3
115.03930	100.0
127.03915	53.5
127.12325	1.0
129.05511	1.3
133.03943	2.1
133.04968	50.4
145.04956	57.7
157.04944	1.1
162.09169	1.4
163.06013	13.0
175.06015	2.1
187.05988	1.1
189.09109	3.0
208.48236	0.9
209.11714	1.9
236.12805	2.2
241.07025	8.0
254.13939	2.2
259.08154	16.8
277.09174	54.1
278.01407	1.0
278.09561	1.4
283.15396	2.4
310.63043	0.9
368.16711	0.9
418.83560	0.9
421.13431	1.5
440.12561	1.0
441.25089	1.2
475.96722	1.0
503.01599	1.0
530.23962	8.0
555.49628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05510	0.8
57.03434	0.5
59.04957	0.3
67.05510	1.3
68.05045	0.4
69.03438	2.0
69.07071	0.3
70.06590	1.9
71.04995	6.6
79.05496	1.2
80.04996	1.8
81.03409	0.9
81.07059	1.0
82.06579	0.6
83.01344	0.4
83.04987	1.0
84.08157	0.8
85.02901	0.5
86.06107	0.3
91.05463	1.5
93.07063	1.5
94.06562	1.7
95.04981	0.8
95.08601	1.3
96.08128	1.5
97.02892	0.4
97.06519	0.6
98.06070	0.7
99.04473	1.0
103.05420	0.4
105.07056	1.2
107.08609	0.9
108.08131	0.7
110.06026	0.4
110.09698	0.8
111.04448	0.9
114.09174	0.3
117.07031	0.5
118.68411	0.3
119.04910	0.5
119.08610	0.8
120.05779	0.4
120.08118	0.6
121.06533	0.8
121.10155	0.5
122.09684	3.3
123.04461	0.8
123.08055	0.6
123.10516	0.3
124.07587	1.9
124.11237	0.8
125.05973	0.5
127.03932	1.1
128.07083	1.0
129.07025	0.5
131.08560	0.7
133.06502	0.8
133.10175	0.4
134.09682	1.1
135.08072	0.9
136.11226	1.6
137.06047	0.4
139.03928	0.7
139.07605	0.3
140.10747	0.4
142.07770	0.6
143.08583	0.3
145.10153	0.4
146.09653	0.7
147.08078	0.6
148.11197	0.7
149.05975	0.7
150.09126	2.1
151.07585	0.5
152.10728	2.4
155.08655	0.5
157.10144	0.3
159.08112	0.7
159.11731	0.4
160.11267	0.6
161.05997	0.4
161.09665	0.5
162.12793	1.1
163.07567	1.1
164.14375	3.4
165.61606	0.3
167.07104	0.4
168.10175	1.8
172.11317	0.3
173.09666	0.4
175.07559	0.5
175.11247	0.3
179.07057	0.7
180.10229	2.1
182.11781	3.6
184.13362	1.1
185.09689	0.6
187.07649	0.3
187.11160	0.4
189.09120	0.5
190.15962	0.6
191.06894	0.5
198.11261	3.8
199.11372	0.4
200.10722	0.7
201.09106	0.7
202.12320	0.7
203.07158	0.5
203.10690	1.0
207.06587	2.1
208.13351	0.6
209.09647	0.4
211.13440	0.4
213.09059	0.4
216.07925	0.5
216.13861	0.5
219.10194	0.4
225.09094	0.3
231.10254	1.0
234.14841	1.0
235.06090	0.7
236.16534	0.4
241.12340	0.4
242.15506	0.3
253.07098	1.0
260.16425	1.5
262.18109	0.8
278.17590	1.0
283.13382	0.3
285.11337	0.3
287.12943	0.5
301.10864	0.6
349.05499	0.3
351.07739	0.4
355.46902	0.3
382.20197	0.4
400.21216	0.6
412.24915	0.7
432.23819	4.9
443.26569	0.3
480.23914	1.1
498.24832	4.0
502.28683	0.4
530.27490	100.0
531.28040	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	530.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01866	1.2
55.05510	2.1
57.03430	2.5
57.07102	0.8
59.04994	2.2
61.02929	5.0
67.05502	1.4
69.03432	10.4
69.07063	3.7
70.06581	0.7
71.04996	17.7
73.02905	2.8
73.06561	3.6
79.05506	4.7
81.03425	4.3
81.07058	23.2
83.08636	0.8
85.02909	72.0
87.04463	2.0
91.03970	3.3
91.05499	1.3
91.45171	0.6
93.07049	14.0
95.04966	1.2
95.08585	3.1
96.04481	0.8
97.02895	16.2
97.06525	1.7
99.04451	3.8
105.05532	0.7
105.07042	0.8
107.08601	11.3
109.02872	5.6
109.06477	1.1
109.10159	2.8
111.08089	0.9
112.07574	0.7
112.30856	0.6
115.03925	2.2
119.08569	0.8
127.03033	1.3
127.03925	20.7
135.11696	23.3
145.04964	49.2
153.05460	0.6
153.12749	100.0
154.13077	1.2
163.04643	1.5
163.06024	31.1
171.13786	2.6
219.08641	0.7
249.90561	0.7
271.08130	1.0
289.09100	2.2
325.11313	9.0
350.15817	1.4
351.15570	0.6
355.79697	0.7
389.33340	0.8
475.39978	0.6
530.20880	0.9
530.29376	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
67.05527	1.6
69.03423	1.1
69.15802	6.6
74.86993	1.1
79.05460	1.3
81.07070	3.4
85.02921	2.3
93.07072	3.7
95.08602	6.6
97.06487	1.2
98.22679	1.7
98.97606	1.3
100.11253	1.9
105.07034	10.9
107.08587	2.6
109.10166	2.6
119.08566	2.6
121.10145	2.3
131.08601	2.6
131.66766	1.0
133.10112	3.4
135.11688	1.6
143.08571	4.0
145.10132	4.8
147.11716	3.9
149.13324	1.3
157.10149	4.5
159.11667	5.3
161.13298	3.2
171.11707	2.3
173.13350	1.7
182.11710	1.4
182.15546	1.4
185.13284	6.5
199.14819	4.1
201.16444	1.2
210.14792	1.7
213.16368	9.1
241.19511	35.4
245.15407	1.6
259.20578	100.0
260.20856	3.1
269.19052	2.4
281.05389	1.3
287.20047	58.7
288.20557	1.3
304.15439	1.6
305.21140	6.0
306.26990	1.2
333.20584	98.1
334.20984	2.6
351.21640	24.1
361.13065	1.2
405.22409	2.0
530.17249	2.3
530.27319	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	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94021	0.7
53.03937	3.5
53.22893	0.7
53.87592	0.5
55.05513	20.2
55.05782	1.2
57.03439	16.7
59.04994	1.2
65.03940	2.0
65.25520	0.5
67.05505	28.9
67.05869	1.4
69.03429	5.4
69.07071	9.7
69.21220	3.8
70.47180	0.6
71.04993	5.2
77.03954	0.9
79.05493	31.7
81.03418	79.6
81.07058	33.7
82.03744	0.8
83.04979	21.5
83.08620	26.1
85.02907	28.7
85.06549	2.2
85.07027	0.6
87.04478	0.9
90.78348	0.6
91.05482	43.3
93.07046	20.4
93.99557	0.6
95.04970	32.0
95.08603	13.5
97.02900	3.5
97.06527	4.4
97.10162	5.5
99.08127	1.4
103.05435	0.9
105.04529	1.7
105.07034	31.4
107.04954	8.4
107.08594	9.4
109.06519	7.5
109.10142	3.2
111.04446	3.7
111.08089	12.6
113.06005	3.6
115.05471	2.6
117.07032	2.7
119.04969	1.0
119.08578	23.2
121.06507	2.3
121.10145	11.2
123.08094	2.3
123.11719	2.1
125.09670	1.4
127.07622	1.1
128.06213	0.9
129.07005	15.1
131.08568	14.4
133.06480	3.1
133.10130	16.6
137.09586	1.7
137.13258	0.7
142.07806	3.3
145.10139	2.7
147.08049	3.6
147.11678	17.2
149.09618	8.9
151.11105	0.6
157.10130	16.7
163.11183	1.1
165.09039	0.8
165.12820	3.2
175.09651	0.9
175.11191	21.2
193.12247	65.6
194.12611	1.4
211.13290	100.0
212.13626	2.0
259.20496	0.6
267.15915	25.4
268.16196	1.3
285.16965	92.0
286.17239	2.2
349.21680	0.9
357.23630	0.7
367.22586	0.9
385.23587	1.5
459.27432	8.1
477.28409	13.1
495.29532	36.6
496.29697	1.9
496.86017	0.7
530.24841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
55.05512	18.7
57.03437	15.8
65.03927	2.5
67.05504	25.6
69.03414	5.3
69.07066	6.8
69.14003	10.9
71.04977	6.7
79.05489	28.3
81.03418	70.8
81.07055	31.8
81.28468	1.5
83.04983	19.1
83.08614	25.2
85.02900	27.0
85.06542	4.1
89.51106	1.7
91.05472	33.8
93.07038	18.6
95.04964	30.8
95.08601	11.9
97.02879	5.4
97.06522	7.9
97.10154	2.5
98.22697	2.7
98.98458	2.4
99.04445	2.0
99.08097	1.6
100.11275	1.7
105.07035	26.6
107.04933	6.7
107.08569	7.4
109.06519	3.6
109.10126	4.4
111.04418	4.8
111.08072	13.5
115.05482	2.4
117.07027	3.7
119.08579	23.3
121.06499	2.1
121.10100	10.4
123.08051	2.2
123.11765	2.2
125.09621	2.5
129.06996	10.9
131.08559	11.8
133.06487	4.0
133.10143	13.5
135.08047	1.5
137.09610	3.3
143.08571	2.1
145.10121	4.3
147.08063	3.0
147.11684	17.1
149.09631	7.5
153.03171	1.8
157.10133	15.9
165.12743	4.4
169.10043	1.8
173.09625	1.4
175.11208	15.0
193.12241	56.9
194.12355	1.6
206.62477	1.9
211.13290	100.0
212.13611	2.5
220.07593	2.0
229.15903	2.0
267.15903	25.9
285.16965	86.7
310.15244	1.8
338.14746	2.3
367.22821	2.8
385.23605	3.4
459.27264	12.8
477.28424	19.7
495.29495	54.9
496.29892	2.2
530.23523	5.9
530.36743	1.5
531.22070	16.1
531.34009	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	530.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
53.54678	1.6
54.42131	1.7
55.01878	4.2
55.05515	24.9
57.03444	12.9
57.07082	2.8
59.05017	1.9
61.01811	1.5
65.03922	2.1
67.05513	36.6
69.03443	4.3
69.07075	11.6
71.04996	6.4
79.05045	2.5
79.05497	40.2
81.03421	82.1
81.07059	40.1
83.04984	22.3
83.08629	32.3
85.02905	33.4
85.06548	2.9
87.04460	2.5
91.05485	52.5
91.06059	2.7
93.07052	36.1
95.04971	39.6
95.08621	18.7
97.02909	3.0
97.06544	5.5
97.10167	5.7
99.08098	1.8
103.05470	1.9
105.07040	37.0
107.04964	8.6
107.08605	20.2
109.06538	6.9
109.10162	5.9
110.88208	1.7
111.04443	3.8
111.08101	12.3
113.06020	4.3
117.07008	6.0
119.08583	33.3
121.06593	1.6
121.10151	18.2
123.08078	4.3
123.11737	2.7
125.09659	3.6
129.07014	13.8
131.08571	16.8
133.05450	2.2
133.06483	4.0
133.10120	25.1
135.08144	3.2
135.11693	9.0
137.09650	2.8
142.07800	5.2
143.08533	2.1
145.10126	6.7
147.08064	3.2
147.11699	27.9
149.09641	10.9
149.13275	4.5
151.11295	2.8
157.10126	22.3
158.26759	1.8
159.11705	4.9
161.13304	8.0
163.11179	1.9
165.12772	4.7
171.11729	3.2
175.11192	19.3
175.14803	3.3
180.92787	1.7
185.13260	1.9
193.12248	68.5
193.13972	3.6
194.12610	2.2
211.13295	95.5
231.21143	2.7
241.19574	4.9
259.20563	19.0
267.15942	31.3
277.21664	3.2
285.16971	100.0
286.17361	2.7
333.24149	2.3
351.25299	26.9
351.29254	2.9
367.22592	2.1
385.23526	3.8
393.13788	1.8
403.24683	1.8
459.27515	10.7
459.33151	2.0
462.12558	1.8
477.28555	20.7
495.29568	64.2
496.29642	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01868	8.0
55.05512	47.8
57.03431	17.9
59.05000	5.4
65.03947	4.2
67.05506	100.0
67.05867	6.0
69.03384	3.0
69.07057	19.7
71.04984	8.2
71.43069	3.4
73.02906	8.6
79.05492	47.0
81.03423	17.4
81.07057	91.6
83.04993	9.6
83.08611	32.0
85.02891	10.9
85.06527	6.0
87.04466	12.8
91.05479	37.8
93.07048	41.5
95.04955	12.8
95.08604	28.4
97.06523	9.0
97.10166	15.4
99.08097	3.0
101.06035	3.3
105.07043	17.2
107.04937	3.1
107.08595	32.3
109.06466	4.5
109.10146	43.3
111.08071	8.1
117.07022	9.3
119.08559	12.9
121.06530	6.8
121.10120	12.8
123.11728	6.5
125.09628	20.8
129.05478	6.8
131.08537	11.6
133.10097	15.2
135.11671	12.6
138.64162	2.8
143.10635	2.8
145.04063	3.0
145.10103	7.0
149.09618	4.1
149.13264	12.7
153.12645	3.0
157.10107	3.2
159.11656	10.0
163.11220	9.1
173.11749	17.2
177.12744	4.0
181.12257	3.8
193.12180	4.3
195.13800	18.7
199.13332	9.6
209.11768	7.5
227.12733	7.1
229.14359	45.3
269.17474	57.5
270.17813	2.8
301.16391	13.6
411.27295	4.3
423.27246	16.3
495.29593	17.3
513.30573	15.4
530.39465	3.4
531.31757	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.1
56.52757	0.5
57.07079	71.9
58.12455	0.5
59.04998	3.5
67.05509	11.1
69.07066	0.6
69.20786	1.8
69.21194	1.2
71.04995	3.6
79.05510	0.7
81.07060	20.2
82.33211	0.5
83.08617	7.8
85.06559	1.1
85.91814	0.6
87.04456	2.6
91.05495	1.5
92.33483	0.6
93.07059	3.8
95.08618	1.5
97.10184	1.0
101.93047	0.5
105.07053	2.3
107.08607	1.4
109.10155	10.6
110.47064	0.5
111.08124	1.0
123.11709	17.7
126.06657	0.5
127.11199	21.7
133.10132	6.0
141.12775	0.8
151.11197	1.7
166.27185	0.6
169.12364	0.6
187.13277	8.1
187.18646	0.6
231.81865	0.6
327.25290	47.3
328.25723	0.9
369.26361	100.0
370.26572	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	530.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.07079	24.4
66.62562	0.9
67.05506	4.4
69.21030	5.6
71.04996	40.7
71.08643	7.1
81.07053	4.7
85.10189	3.2
87.04448	1.7
91.29768	0.9
95.08608	5.4
109.10145	1.9
113.09650	100.0
114.92358	1.0
127.11180	5.8
141.09113	71.4
141.12791	1.4
155.14301	3.0
167.36871	0.9
209.05208	0.9
225.09160	0.9
242.85571	1.0
255.16086	1.0
280.15396	0.9
325.92032	1.0
327.25208	4.0
341.23251	9.2
355.28430	69.6
356.28906	1.5
359.04785	1.1
369.26352	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	530.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.07079	49.0
63.93252	1.2
66.28141	1.0
67.05507	17.6
69.18561	5.8
69.18964	2.4
69.31197	1.1
70.90439	1.1
71.08639	10.9
78.84136	1.1
81.07050	11.0
85.10184	6.1
87.04489	2.7
93.07030	1.9
95.08607	100.0
109.10169	3.3
123.08055	4.7
127.11183	9.9
155.14276	4.3
159.10109	1.8
172.10893	1.4
201.14932	1.4
225.97667	1.3
321.32855	1.4
341.23221	51.8
355.24197	2.8
355.28418	41.0
369.26361	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	530.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77052	1.1
55.01866	1.4
57.07077	76.5
58.38636	1.0
65.02896	0.9
67.05499	8.3
69.07070	2.8
69.27081	5.6
71.04991	37.0
71.08263	2.0
71.08631	20.9
71.08997	2.2
77.94102	1.0
79.05494	1.1
80.41655	1.0
81.07053	14.9
85.10180	13.5
87.04453	3.6
95.08605	15.0
97.75388	1.2
98.22703	2.3
109.10159	7.1
113.09646	100.0
114.09937	1.2
127.11201	21.5
134.90079	1.2
137.13300	2.0
141.09106	28.8
155.14301	10.1
216.78148	1.0
229.18175	1.3
255.15907	4.6
277.25607	1.2
306.03510	1.2
341.23218	15.3
355.28415	90.8
356.28745	3.1
369.26416	6.2
530.37012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19244	1.4
55.00526	1.4
55.01876	2.9
65.03936	2.7
69.47146	3.4
69.47536	2.9
78.08797	1.5
79.05502	8.8
79.65332	1.6
81.07085	1.7
85.02897	2.0
91.05479	4.2
95.04965	4.2
98.23515	1.5
103.05468	22.7
105.03395	1.5
105.04524	1.8
105.07035	62.5
109.06528	3.3
111.04471	1.7
115.05478	14.3
118.04198	1.9
119.04954	2.0
123.04465	1.8
131.04935	35.0
133.06494	46.7
137.05945	3.9
138.36807	1.8
140.04695	1.7
143.06050	5.9
147.04454	1.8
153.05489	2.4
155.07085	2.5
161.05981	100.0
162.06650	2.4
163.07584	6.2
165.05499	3.3
171.06615	3.0
181.04948	42.2
184.04863	1.6
185.05737	24.8
187.07602	5.2
195.06506	2.7
203.03151	2.0
205.08669	3.1
207.06616	2.1
208.07312	3.3
208.39267	1.7
215.06940	3.3
219.06268	27.7
225.07603	16.4
226.08234	2.2
247.05757	9.5
306.08743	2.5
387.14276	3.5
409.12595	35.1
531.16205	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	531.1843
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
56.37305	0.5
69.42598	0.5
70.52915	0.8
71.52150	0.5
83.01091	0.7
89.08298	0.5
117.71510	0.5
126.27465	0.5
175.03934	0.5
227.05322	0.9
245.06375	1.2
283.12964	2.6
289.05298	20.9
382.29272	0.6
396.14206	0.5
445.18286	10.6
469.18533	1.1
487.19418	22.1
488.19830	1.0
531.18408	100.0
532.18701	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	531.2018
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
51.02372	0.4
53.03947	0.8
55.01865	0.4
59.04997	0.3
59.51320	0.3
60.08887	0.3
67.05502	0.9
69.03446	0.4
69.73726	1.1
77.03925	0.6
78.04720	0.6
79.05499	7.4
81.03430	0.8
81.07056	0.9
85.02918	0.6
88.76253	0.3
91.05484	6.0
93.07040	1.8
95.04953	3.6
103.05468	6.1
105.04517	1.9
105.07031	13.4
107.04955	22.7
107.08600	0.5
109.06547	0.9
109.10159	0.4
115.05482	1.0
117.07037	0.7
119.04960	0.9
119.08595	0.3
120.05733	2.5
121.06509	11.5
123.00255	0.3
123.08080	0.7
128.06201	0.4
129.07018	1.1
131.04900	1.6
133.06500	2.3
135.04463	0.7
135.08069	5.3
137.05988	1.5
138.06688	0.5
139.07552	1.4
143.08632	0.4
145.06473	1.6
147.04401	0.5
149.05963	0.8
149.07053	0.4
150.06754	4.3
151.07539	22.5
152.08350	2.9
152.14792	0.3
153.09070	1.5
157.06496	1.5
159.08073	1.2
161.05989	0.8
163.03963	0.6
163.07549	1.3
165.09116	32.1
166.09474	0.5
169.06520	0.7
171.04385	0.8
171.08110	0.5
173.05971	1.0
174.06804	0.6
175.03925	0.4
175.07590	1.0
177.09146	1.2
179.10667	0.4
181.06427	0.5
183.08037	0.6
185.05997	0.9
187.07571	0.5
189.05530	1.2
189.09154	0.9
191.07071	0.9
191.10689	0.9
197.06006	1.3
199.03905	0.7
199.07553	1.3
201.05527	0.6
201.09132	0.6
203.03355	0.4
203.07076	0.9
209.06036	0.4
211.07565	1.2
213.05504	3.1
213.09135	0.8
214.06291	0.9
215.07121	0.9
217.05069	1.0
217.08629	1.3
225.05513	1.1
225.08952	0.5
226.06206	0.7
227.06990	2.0
229.05156	0.4
229.08583	0.6
231.06450	2.5
231.10185	0.5
232.07069	0.7
239.07071	0.9
241.04926	1.8
241.08623	1.1
242.09464	0.4
243.06671	0.8
245.08025	0.7
245.60512	0.3
248.08179	0.4
249.09108	0.5
251.06937	0.4
253.08691	0.4
254.05713	1.0
255.06587	1.4
256.07333	0.5
259.06027	1.3
259.09692	0.9
261.09116	0.5
263.06989	0.4
263.10794	0.5
269.08057	3.8
271.09683	0.6
273.09320	0.7
276.07907	0.7
277.08633	1.3
278.09433	0.4
279.10297	0.7
285.16891	0.4
287.10300	0.5
289.08560	0.5
290.09283	0.8
291.10101	1.8
297.09143	0.5
301.08652	1.1
302.09445	0.7
303.10141	0.7
305.08191	1.1
305.11777	1.0
307.09650	0.6
309.11151	0.4
315.10205	1.4
318.08939	0.6
319.09601	2.0
319.13144	0.4
321.11276	0.9
322.12143	0.4
323.12677	0.6
329.08109	0.8
330.08981	0.5
331.09695	0.5
332.10403	0.5
333.11307	1.4
335.09073	0.4
337.14972	0.3
343.09598	1.2
344.10611	0.4
347.09091	1.0
347.12912	1.0
351.12326	0.5
354.23264	0.4
360.09824	0.6
361.10681	1.7
364.13000	0.6
365.13980	2.1
375.12195	1.5
379.11731	2.7
393.13275	7.5
407.15036	1.0
411.16254	0.4
429.16992	1.2
439.15555	0.8
453.16702	0.6
457.16321	0.7
461.19589	0.9
471.18018	6.1
478.28531	0.4
481.16202	0.7
485.19708	0.5
499.17487	4.5
503.20560	5.7
513.18988	2.5
522.30884	0.4
531.20111	100.0
532.20422	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	531.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03949	0.6
54.17640	0.5
55.01846	0.5
55.05500	0.6
59.03699	0.6
59.04976	0.6
65.03926	0.9
67.05511	1.3
69.03427	0.9
77.03908	1.2
79.05489	8.1
81.03433	1.2
81.07047	1.2
83.05032	0.6
91.05482	9.9
93.07059	3.2
94.61330	0.5
95.04979	5.2
95.08633	0.9
103.05496	4.1
105.04521	2.0
105.07030	9.3
107.04956	33.6
107.08581	2.1
109.06512	0.9
115.05444	1.8
117.07048	3.6
119.04929	2.2
119.08578	4.0
120.05682	1.4
121.02859	1.0
121.06509	14.7
123.04443	1.5
123.08060	1.8
128.06226	1.1
129.07031	1.2
131.04926	3.7
131.08565	1.1
133.06505	3.1
133.07391	0.5
134.07275	1.3
135.04382	1.0
135.08061	7.7
137.02348	0.7
137.05968	1.9
138.06807	0.5
139.07559	0.8
141.07016	1.0
143.08611	0.8
144.05611	0.7
145.06517	3.3
145.10126	0.6
147.04402	1.7
147.08006	0.8
149.05939	2.1
149.07101	0.9
149.09624	3.7
150.06746	2.3
151.03914	0.9
151.07550	21.6
152.08327	2.9
153.09084	3.2
155.04962	0.7
157.06485	1.1
159.04329	0.7
159.08072	1.0
161.05992	2.8
163.03935	3.0
163.07507	1.0
164.08279	3.1
165.09116	43.3
166.09775	1.2
169.06453	1.1
171.04385	0.9
171.08015	0.9
173.06024	2.3
175.03883	0.7
175.07570	2.5
177.09146	0.8
179.10667	12.4
181.06509	1.0
183.08003	1.3
185.05994	0.8
187.07556	3.0
189.05466	6.2
189.09065	0.7
191.07094	1.0
191.10582	0.8
194.64888	0.5
197.06046	1.0
198.06731	0.9
199.07544	2.2
200.04675	0.6
201.05437	1.3
202.06233	1.0
203.07040	8.6
204.07828	0.6
211.07547	1.0
213.05482	2.7
214.06329	2.6
215.07027	8.2
217.04955	11.9
217.08569	2.0
224.04660	0.6
225.05457	1.2
225.09172	0.6
226.06232	0.9
227.07007	5.9
228.07686	0.7
229.05141	1.0
229.08582	0.9
231.06477	2.1
239.07053	2.0
240.07903	0.6
241.04868	0.8
241.08449	0.5
242.05698	1.9
243.06392	2.6
244.07256	1.1
249.09091	1.0
253.08444	0.6
255.06351	2.8
255.15968	0.8
256.07355	0.7
257.07990	5.1
258.08765	0.6
261.09082	0.8
263.06982	0.7
263.10858	0.9
267.06732	0.7
267.15820	0.6
273.09100	2.2
274.09723	0.6
277.08612	1.4
277.11945	0.6
279.10123	0.6
285.07648	1.6
287.10587	0.7
289.08627	0.8
291.10071	3.6
293.08038	0.6
294.08765	0.6
300.07932	0.8
301.08444	3.3
302.09366	1.0
303.10046	1.0
304.07364	0.7
305.08066	0.7
305.11652	1.5
306.08798	0.9
308.10172	0.9
309.11340	3.8
315.09650	0.8
315.12781	0.8
316.11044	0.6
317.08112	0.8
318.08868	1.0
319.09674	3.7
321.07599	0.7
321.11087	0.9
323.12900	0.7
330.08801	0.8
331.09467	0.8
332.10428	0.8
333.10779	2.4
336.09955	1.3
337.10635	5.2
337.14255	0.9
344.10501	1.1
345.11313	0.6
346.11929	0.9
347.08838	0.7
351.12265	1.8
353.14139	0.7
354.10754	1.3
355.15262	1.0
359.12747	0.9
361.10663	3.2
365.13956	3.1
367.15289	0.8
369.13452	1.1
375.12167	0.7
379.11627	9.0
379.15695	1.0
383.15048	0.8
391.15421	0.7
393.13242	2.5
397.16629	1.0
405.13107	0.7
407.14606	1.3
409.16205	1.7
437.15857	2.0
443.18634	1.3
447.27481	0.7
450.52621	0.6
461.19574	7.5
471.17947	3.7
481.16360	1.4
485.19650	3.0
495.18320	0.6
499.17447	1.9
503.20810	3.3
513.19049	9.2
531.20001	100.0
532.20386	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	531.2019
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
51.02383	0.5
51.42357	0.3
52.14126	0.4
53.03946	1.0
55.01869	0.7
63.86325	0.3
65.03949	0.9
67.05491	0.8
69.03425	3.0
69.20855	0.4
77.03925	1.4
79.05492	9.2
81.03413	0.5
81.07031	0.6
91.05477	8.5
93.07034	1.7
95.04977	5.0
98.23484	1.0
103.05458	5.3
105.04520	2.4
105.06348	0.7
105.07031	11.4
107.04955	39.8
107.08596	0.7
108.05801	0.4
109.06525	0.5
111.04403	0.4
115.05434	1.2
117.07014	1.9
119.04948	1.4
119.08595	2.2
119.63359	0.3
120.05737	1.4
121.02905	0.4
121.06509	8.8
123.04436	0.4
123.08079	1.1
128.06226	0.8
129.06987	0.6
131.04922	3.2
131.08572	0.6
133.06502	2.0
133.07370	0.4
134.07262	0.6
135.04443	0.8
135.08061	4.5
136.05212	0.4
137.02448	0.4
137.05989	1.4
138.06889	0.4
139.07524	0.6
141.05460	0.6
141.06924	0.5
145.06483	1.6
147.08061	0.9
149.05978	1.3
149.07097	0.6
149.09576	1.9
150.06770	3.5
151.03934	6.5
151.07539	26.9
152.08325	3.1
153.07022	0.5
153.09116	2.2
157.06473	0.8
159.04428	0.4
159.08038	0.5
160.05281	0.4
161.06006	0.9
163.03893	0.9
163.07520	0.9
164.08354	1.2
165.09114	31.5
166.09650	0.6
167.10651	0.5
169.06523	0.4
171.04404	0.4
171.08073	0.6
173.06012	1.5
175.03920	0.5
175.07527	1.8
177.05479	0.6
177.09039	0.8
179.10674	8.2
181.06480	0.8
183.08099	0.5
184.05190	0.4
185.06012	1.5
187.07547	1.5
189.05426	2.2
189.09224	0.5
191.07069	0.7
191.10641	0.6
197.06050	0.9
199.03897	0.7
199.07520	1.2
201.05490	0.6
201.09192	0.5
202.06148	0.6
202.07806	0.5
203.07016	5.6
205.04964	0.7
209.06105	0.4
211.07530	1.1
213.05510	2.6
213.09045	0.5
214.06239	1.3
215.06970	3.0
217.05006	2.1
217.08505	1.8
223.07500	0.4
225.05511	1.3
227.06984	4.7
229.08528	0.9
231.06403	2.5
239.06926	1.7
241.05083	1.8
243.06488	2.0
245.07683	0.5
245.09848	0.9
247.07484	0.6
248.08322	0.7
254.09428	0.4
255.06380	3.2
257.08035	3.5
259.05927	0.7
261.08972	0.4
262.10037	0.6
263.06995	0.4
263.10687	0.7
267.06522	0.9
267.09995	0.4
269.07993	0.7
271.09955	0.5
272.08362	0.5
273.09036	1.3
274.09940	0.5
276.07834	0.6
277.08633	1.2
279.10138	0.5
285.07458	0.7
287.07043	0.5
287.10464	0.7
289.08621	0.9
290.09503	0.7
291.10132	2.3
292.10760	0.6
293.11786	0.4
297.09201	0.4
299.09351	0.8
299.12677	0.5
300.07932	0.5
301.08386	3.0
302.09412	0.8
303.10129	0.6
305.08200	0.8
305.11792	1.2
309.11176	2.6
315.06671	0.4
315.09808	1.7
317.08066	1.2
318.08862	1.4
319.09708	2.9
320.10367	0.6
321.07675	0.6
323.12909	0.6
329.07996	2.1
330.08881	0.8
331.09579	0.6
333.11194	4.5
334.12146	0.5
334.15900	0.4
335.12723	0.5
336.09668	0.8
337.10852	2.2
337.14221	0.5
341.14081	0.8
343.09735	2.1
347.09058	0.7
347.12766	0.7
351.12311	2.3
361.10687	5.0
362.11053	0.5
363.60706	0.4
365.13785	2.4
369.13297	1.5
375.12256	1.5
379.11673	2.5
391.15509	0.7
393.13284	4.1
394.13785	0.4
397.16437	1.5
405.13211	1.0
407.14972	0.8
409.16376	0.4
437.16031	2.9
443.18628	0.5
453.17230	0.5
461.19577	4.6
471.17932	2.1
481.16486	1.2
485.19623	1.5
495.18149	0.7
499.17688	1.7
503.20630	2.2
513.19055	21.8
514.19189	0.9
517.09229	0.4
531.20032	100.0
532.20459	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	531.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46633	0.6
52.69974	0.5
53.03963	0.9
55.01867	0.8
55.05510	1.3
62.33815	0.7
65.32533	0.6
65.68961	0.5
67.05506	2.4
69.07057	0.8
69.50164	1.9
71.52439	0.6
79.05491	5.3
81.03391	1.1
81.07078	2.9
83.08615	1.0
91.05480	4.8
93.03303	0.7
93.07046	5.7
95.04960	3.7
95.08605	2.0
97.57949	0.6
98.23422	1.3
103.05489	3.7
104.61147	0.7
105.04508	1.6
105.07024	7.8
107.04950	18.0
107.05670	1.0
107.08588	0.9
109.06513	1.1
119.08559	0.7
120.05698	1.0
121.06505	27.3
121.10114	0.9
123.08064	1.4
124.05234	0.7
131.04974	1.0
131.08569	0.8
133.10103	0.9
135.08026	1.9
137.05936	0.9
138.06743	0.7
139.07539	3.4
141.07014	0.9
150.06757	1.8
151.07545	10.4
152.06241	2.4
152.08307	8.8
153.07069	1.4
154.07791	0.7
159.11632	1.0
161.05998	4.7
164.08278	1.1
165.07018	3.8
165.09114	21.1
166.07706	0.8
167.07053	4.2
167.08571	3.4
168.67087	0.8
169.06461	2.3
170.07173	0.6
177.06996	0.7
178.05894	0.6
179.10585	0.6
180.05695	2.8
181.06458	6.6
182.07268	1.5
183.08070	1.7
184.08765	0.6
185.09650	1.0
187.07401	0.6
193.06332	0.7
193.23972	0.6
195.08052	13.0
196.08836	8.0
197.05966	7.8
197.09456	0.9
198.06729	1.2
201.09184	0.7
205.06573	1.0
209.06078	2.8
210.06676	1.2
211.07533	2.5
212.08302	12.3
213.09106	4.7
215.07042	2.0
223.07536	6.6
224.08333	7.4
225.05452	2.3
225.09058	2.4
226.06302	1.8
227.07086	9.1
227.10646	16.4
237.09096	2.5
238.09920	4.6
239.06903	1.0
240.07803	7.2
241.08549	11.0
242.09375	25.3
243.06639	2.9
253.08577	1.5
255.10162	50.9
256.10629	1.1
257.08313	0.7
258.08923	7.8
258.12500	3.9
259.13281	23.0
259.16022	1.3
273.11209	100.0
274.11542	2.4
285.45587	0.7
379.15244	1.0
391.19040	0.7
411.18060	0.6
485.22910	0.8
513.35413	1.0
516.95135	0.8
531.23883	6.2
531.36444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2567
Annotation	Roridin D
Peak:m/z	Relative Intensity
55.01854	0.6
55.05507	1.3
57.03441	1.1
64.69205	0.5
67.05499	1.4
69.58990	0.7
69.59320	1.9
76.21967	0.6
79.05489	1.3
81.03429	0.9
81.07056	1.2
83.08591	1.1
91.05457	0.7
93.07033	1.7
95.08609	1.2
97.06545	0.6
98.22753	1.2
105.07043	1.2
107.04947	1.3
107.08602	1.2
109.06491	0.7
109.10175	0.9
119.08556	1.5
121.06481	0.8
121.10194	0.8
123.08091	0.6
135.11719	1.0
145.10118	0.6
163.11163	1.3
204.59801	0.6
249.10992	6.0
270.16943	0.5
283.15533	1.6
305.13602	6.6
465.28723	0.7
474.48483	0.5
531.25629	100.0
532.25763	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	531.2934
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
55.05523	4.7
57.07069	2.7
67.05499	8.7
69.07059	3.8
69.09969	2.0
69.26038	10.3
79.05497	6.1
81.03438	3.6
81.07059	8.5
82.56435	1.8
83.08623	3.9
86.09736	2.8
91.05489	5.2
93.07069	5.9
95.08633	6.8
97.05373	2.0
97.06524	2.4
104.10759	12.1
105.07053	4.4
107.08584	5.1
109.10184	3.6
119.08573	5.1
121.10141	2.1
123.11748	2.3
131.08585	2.0
133.10146	4.2
145.10213	2.0
147.11737	2.4
157.10159	3.0
169.10071	1.8
171.11674	2.2
255.16125	2.2
397.42731	2.1
439.32626	2.1
473.26550	4.7
513.35590	4.5
531.29376	100.0
531.37354	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
57.03422	1.4
57.07055	1.5
65.03937	0.4
67.05509	2.6
69.07059	1.7
69.16303	1.7
79.05480	1.6
81.07068	2.4
83.08609	0.9
87.04471	13.3
88.04789	2.1
88.07577	0.5
89.03918	5.4
91.05479	1.7
93.07044	0.8
95.04939	0.4
95.08603	2.9
103.05434	0.5
105.07068	0.4
107.08580	0.7
109.10227	0.4
117.03385	14.3
121.06506	1.0
134.03616	1.4
135.04385	1.3
145.02852	39.3
149.05974	4.9
161.52078	0.4
163.03876	0.8
165.12459	0.4
170.99008	0.6
171.39645	0.5
177.05475	100.0
178.05898	1.9
186.05516	2.5
189.00185	0.9
195.06532	0.7
202.29503	0.4
221.52449	0.4
227.01636	1.1
256.26440	1.3
257.26639	1.9
277.21222	0.4
278.21851	0.6
289.42999	0.4
309.54987	0.5
388.96439	0.4
471.23633	1.2
531.32483	7.9
531.39630	0.7
532.33368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93573	0.3
55.05507	1.8
57.03425	1.3
57.07063	1.5
64.67786	0.3
65.03928	0.7
67.05480	1.0
69.07060	1.8
69.17365	1.3
69.17772	0.6
71.08614	0.4
73.08858	0.4
74.17378	0.3
79.05466	0.6
81.07050	1.5
83.08612	1.2
87.04462	0.6
89.74689	0.4
91.05479	6.6
93.07034	0.5
95.08595	1.1
97.10156	1.1
109.10172	0.6
119.04938	15.0
119.08602	0.6
121.10099	0.5
147.04401	100.0
148.04750	0.6
165.05461	3.0
195.19011	0.3
289.45993	0.3
434.17719	0.3
531.36829	4.7
532.69208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
57.07064	0.9
67.05502	1.6
67.10490	0.5
69.03428	3.4
69.07057	0.9
69.48759	1.9
71.04999	0.5
73.70640	0.4
79.05485	1.6
80.05003	0.6
81.03408	1.0
81.07064	1.4
83.01341	1.9
83.04970	0.7
83.07357	1.7
85.02888	0.4
86.06047	0.4
91.05484	2.1
93.07046	1.3
94.06561	0.7
95.04977	1.4
95.08603	0.9
96.08129	1.4
98.05930	0.4
98.23543	0.5
99.04453	0.4
101.38131	0.5
103.05469	0.8
105.07035	1.5
106.06561	1.9
108.08131	0.9
108.75769	0.5
111.08073	1.0
113.06013	0.6
115.03943	0.9
117.07011	0.8
118.06606	1.1
119.07313	1.4
119.08601	1.4
120.08099	5.5
121.06487	2.8
122.09663	0.7
124.11230	1.1
126.12798	0.8
127.03910	0.7
129.07088	0.6
130.06528	0.6
131.08568	1.4
132.08124	1.1
133.10123	0.7
134.09726	1.0
135.08076	1.3
136.11226	1.3
137.05930	0.6
137.09579	1.1
138.12778	2.0
139.03931	1.3
143.03421	0.6
144.08060	0.6
145.10065	0.7
146.09671	0.9
147.07051	0.5
147.08026	2.7
147.11705	0.6
148.07593	2.0
148.11176	1.0
149.06023	0.6
149.09627	0.6
150.12717	0.5
151.07567	0.7
152.10680	0.5
153.09103	1.1
154.12271	0.9
159.08057	0.6
160.07584	0.7
160.11243	1.6
161.08363	0.7
161.09624	1.0
162.09109	3.2
162.12788	12.3
164.14362	2.6
165.05489	1.3
166.06339	0.8
174.09155	0.6
174.12827	0.7
175.09875	0.6
176.10728	1.0
176.14351	1.8
177.05481	2.3
177.12804	0.5
180.13683	0.6
181.05013	1.8
186.12740	0.7
188.10741	2.1
190.12236	1.3
193.04974	1.8
194.05798	0.5
202.12276	1.5
202.16022	0.6
203.14308	1.2
204.10194	0.7
204.13832	21.8
204.17581	1.6
205.15906	1.5
209.08116	1.7
214.15916	0.8
216.10265	1.0
218.11789	1.5
218.15486	0.8
220.13373	0.8
221.08206	0.6
230.15446	0.9
231.13824	1.7
232.16969	8.4
233.15434	1.2
237.07568	2.5
239.09172	0.4
242.15440	0.6
250.18005	2.8
251.09081	0.5
258.14871	3.0
260.16461	15.3
265.07120	2.0
276.15942	0.7
278.17526	9.4
281.06442	2.6
294.17093	0.4
335.11447	0.9
351.10815	0.8
434.21585	0.5
514.24072	1.1
532.25415	100.0
533.25763	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	532.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12669	15.0
79.05515	2.2
79.59819	2.0
91.05474	5.6
93.07029	2.5
103.05472	5.7
107.04973	3.7
121.06503	13.0
123.04423	3.2
131.04883	5.6
134.03589	2.4
137.05949	6.9
140.04716	2.5
145.02852	3.0
149.06000	16.0
155.06967	2.2
159.04420	3.6
167.07039	100.0
168.07349	3.2
177.05469	34.4
181.08543	2.1
209.08087	31.7
213.24393	2.1
227.09146	66.5
293.24051	2.1
425.05646	2.1
532.25867	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	532.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05509	0.8
56.05032	0.2
67.05508	1.4
68.05013	0.3
69.03427	3.4
69.07057	0.3
69.46952	1.0
70.06599	0.6
71.04990	3.1
79.05491	1.3
80.05015	0.8
81.03416	0.5
81.07046	0.7
82.06586	0.2
83.01344	0.7
83.04974	1.5
83.07364	0.4
84.08081	0.3
85.02911	0.3
85.06567	0.6
86.06081	0.7
91.05471	1.7
93.07056	1.0
94.06567	1.2
95.04986	1.0
95.08605	0.5
96.04488	0.2
96.08114	1.1
97.02901	0.4
97.06557	0.6
97.08929	0.3
99.04474	0.7
105.07045	1.3
106.06557	1.3
107.04961	0.3
107.08578	0.5
108.08147	0.8
109.02854	0.3
109.06542	0.7
111.04455	0.7
111.08073	2.3
112.07629	0.4
115.03926	0.2
115.05467	0.4
117.07014	0.5
118.06555	0.9
119.07343	0.4
119.08601	1.0
120.08107	3.0
121.06511	0.7
121.08870	0.3
122.09689	1.0
123.04440	0.4
123.08071	0.4
124.07574	0.4
124.11243	0.3
125.06026	0.3
127.03899	0.6
128.06261	0.3
129.07027	1.0
130.06525	0.5
131.08586	0.7
131.24878	0.2
132.08087	2.7
133.10138	0.5
134.09647	1.7
135.04391	0.3
135.08093	0.8
136.11221	0.5
137.05962	0.5
137.09671	0.6
138.06792	0.3
139.03896	0.7
139.07552	0.6
141.05452	0.4
143.07385	0.2
143.08595	0.7
144.08134	0.5
145.06552	0.3
145.08987	0.3
145.10152	0.9
146.06000	0.6
146.09612	1.2
147.04382	0.3
147.06851	0.4
147.08058	1.4
147.10466	0.7
148.07578	1.0
148.11278	0.3
149.05986	0.8
149.09624	0.5
150.09143	1.2
151.07576	0.4
152.10701	0.7
154.12250	1.2
155.03398	0.7
157.06508	0.5
157.08939	0.3
157.10152	0.3
158.09666	1.1
159.08096	0.8
159.10457	1.1
159.11639	0.3
160.07550	2.2
160.11218	6.3
161.08434	0.4
161.09686	0.7
161.12032	0.6
162.09180	1.3
162.12820	2.2
163.07547	0.6
163.11238	0.4
164.10684	0.4
164.14389	0.6
165.09145	0.3
167.03423	0.8
167.07118	0.3
168.10233	0.4
170.09630	0.5
171.08067	0.5
171.10391	0.3
172.11255	0.7
173.09630	0.3
174.09132	0.5
174.12769	1.8
175.07578	0.4
175.09886	0.5
175.11211	0.7
176.10741	1.0
178.12349	1.0
179.07056	0.4
180.13852	0.9
181.04984	0.8
181.08636	0.3
182.11778	0.7
184.11237	1.2
185.11963	0.3
185.13388	0.3
186.09125	0.5
186.12802	0.2
188.10706	5.2
188.14340	0.3
189.09200	0.4
190.12346	0.4
191.07274	0.3
192.13841	0.5
193.08607	0.3
194.11835	0.3
194.15482	0.2
195.10234	0.3
202.12260	6.7
202.15930	0.3
203.09340	0.3
203.14417	0.3
204.10225	1.3
204.13838	2.7
207.06532	0.5
212.14383	0.5
216.10199	6.1
216.13759	0.5
218.11871	0.5
219.13875	0.4
220.13319	13.3
220.16977	0.8
221.08124	0.3
230.11838	0.4
230.15379	5.0
231.13797	0.7
232.13138	0.3
232.16953	1.0
234.11331	0.7
237.07347	0.4
238.14500	0.3
239.09151	1.4
240.13832	0.5
247.13286	0.5
248.16479	3.9
250.17999	0.3
251.09134	1.7
256.13394	0.3
258.12875	0.1
258.14911	8.4
260.16510	2.0
265.07077	9.5
266.17496	2.0
276.15930	5.7
276.18826	0.3
278.17532	1.6
283.08038	0.4
294.17001	8.4
295.17441	0.3
335.11282	1.8
434.21664	0.6
496.23380	1.1
514.24146	1.8
515.24957	0.2
528.59229	0.3
532.25421	100.0
533.25745	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	532.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64139	0.1
53.03942	0.2
55.01865	0.4
55.05515	0.6
57.07083	0.1
60.38663	0.1
65.03927	0.4
67.05505	1.3
67.70493	0.1
68.05045	0.2
69.03429	3.0
69.07061	0.2
69.42252	0.7
69.42589	0.1
70.06597	0.4
71.04992	3.6
79.05499	1.3
80.05016	0.9
81.03439	0.5
81.05811	0.2
81.07056	0.9
82.06586	0.6
83.01360	0.7
83.04976	1.5
83.07370	0.4
84.08162	0.4
85.02891	0.4
85.06565	0.7
86.06054	0.7
87.04472	0.2
91.05469	1.8
93.07034	1.1
94.06578	0.6
95.04983	0.9
95.08647	0.3
96.04488	0.2
96.08113	1.2
97.06544	0.7
97.08971	0.1
98.06059	0.4
99.04457	0.5
100.07600	0.2
103.05482	0.4
105.04564	0.2
105.05828	0.2
105.07040	1.2
106.06544	0.9
107.04961	0.5
107.08603	0.7
108.08138	0.6
108.10859	0.1
109.06547	0.5
109.10167	0.3
110.09670	0.2
111.04460	0.7
111.08079	1.9
112.07618	0.3
113.05997	0.2
115.03929	0.4
115.05448	0.2
117.05745	0.3
117.07020	0.8
118.06561	0.8
119.04969	0.3
119.07341	0.5
119.08553	0.8
120.08105	3.3
121.06538	1.0
121.08897	0.3
121.10098	0.2
122.09656	0.9
123.04391	0.2
123.08103	0.4
124.07581	0.1
124.11258	0.7
125.05988	0.4
127.03931	0.6
128.06200	0.4
129.06985	0.7
130.06523	0.5
131.07559	0.2
131.08586	0.9
132.05605	0.2
132.08078	2.5
133.10133	0.7
134.09645	1.7
135.04434	0.2
135.08057	0.5
136.07594	0.3
136.11247	0.7
136.12125	0.1
137.06010	0.4
137.09651	0.7
138.09143	0.2
139.03937	0.6
139.07545	0.5
140.07085	0.3
140.10739	0.2
141.05499	0.2
142.07816	0.2
142.12299	0.2
143.07425	0.3
143.08575	0.8
144.08105	0.6
145.04985	0.3
145.06483	0.4
145.09036	0.2
145.10144	0.7
146.06042	0.3
146.09624	1.1
147.04388	0.3
147.06917	0.3
147.08009	1.7
147.10475	0.3
147.11613	0.2
148.07533	1.0
148.11256	0.6
149.05975	1.0
149.08435	0.3
149.09534	0.3
150.09120	1.0
151.07545	0.5
152.10699	0.7
153.05421	0.2
153.09065	0.3
154.12285	1.0
155.03413	0.4
155.07275	0.2
155.08521	0.2
156.08070	0.2
157.06517	0.2
157.10170	0.4
158.09618	0.9
159.08104	0.6
159.10428	1.2
159.11627	0.2
160.07571	2.3
160.11209	5.5
161.05980	0.3
161.08401	0.3
161.09647	0.7
161.11969	0.8
162.09137	1.1
162.12779	2.1
163.07544	0.4
163.11209	0.3
164.10643	0.3
164.14401	0.4
165.05490	0.2
165.09131	0.3
166.06200	0.4
166.08638	0.2
167.03406	0.9
168.10210	0.6
169.08894	0.2
170.09679	0.3
171.07942	0.2
171.10426	0.3
172.08849	0.2
172.11238	0.5
173.08372	0.3
173.09694	0.3
174.09181	0.6
174.12793	1.7
175.07622	0.4
175.09872	0.4
175.11237	0.5
176.08408	0.2
176.10663	0.9
176.14330	0.2
177.05559	0.2
177.09158	0.2
178.08720	0.2
178.12291	1.4
179.07033	0.6
180.10297	0.2
180.13913	0.7
181.04948	0.7
181.08632	0.5
182.11809	0.6
184.11192	1.0
185.09621	0.4
185.11958	0.2
186.09140	0.5
186.12839	0.2
187.11301	0.3
188.10693	5.4
189.11327	0.2
190.12286	0.5
191.07106	0.2
191.14424	0.2
192.10255	0.2
192.13814	0.7
193.08632	0.5
194.11787	0.5
195.06522	0.2
195.10368	0.2
200.10751	0.3
201.12837	0.2
202.12265	7.5
202.15929	0.3
203.09373	0.5
203.10887	0.3
203.12610	0.3
203.14383	0.4
204.10156	1.5
204.13805	2.7
206.11795	0.3
207.06581	0.5
209.08116	0.2
212.14374	0.5
213.12726	0.3
215.10759	0.2
216.10185	7.2
216.13858	0.9
217.08783	0.2
218.11769	0.4
219.13884	0.4
220.13321	14.8
220.16925	0.7
221.08159	0.4
221.13603	0.2
221.15512	0.3
223.09592	0.2
224.12810	0.2
230.11765	0.5
230.15379	4.6
231.13858	0.8
232.16949	0.9
234.11139	0.7
237.07654	0.6
238.14357	0.2
239.09155	1.6
240.13861	0.6
245.08174	0.2
246.14807	0.3
247.13315	0.4
248.16438	4.3
249.15051	0.2
250.18074	0.6
251.09171	1.8
256.13403	0.2
258.14905	8.4
259.15298	0.2
260.16418	1.7
265.07050	10.0
265.10486	0.4
266.17487	1.8
276.15967	5.5
278.17447	1.2
281.06546	0.3
283.08002	0.3
291.12186	0.2
294.16992	10.4
295.17142	0.2
335.11212	1.8
370.10416	0.2
434.21719	0.6
482.96600	0.1
496.23270	0.8
514.24396	1.6
528.38306	0.2
532.25403	100.0
533.25769	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	532.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05522	0.4
67.05510	1.1
69.03429	2.7
69.07079	0.3
69.77483	0.9
69.77859	0.6
70.06596	0.7
71.05003	1.1
73.19150	0.3
74.58990	0.3
79.05499	1.1
80.05029	1.0
81.03442	0.3
81.07065	0.8
82.06589	0.6
83.01362	0.6
83.04984	2.1
83.07393	1.0
85.06546	1.2
86.06084	0.6
91.05499	1.6
93.07063	0.9
94.06563	0.4
95.04993	0.9
96.08146	1.2
97.06533	0.6
98.23416	0.4
99.04456	0.8
105.07044	1.3
106.06561	2.5
107.05009	0.4
107.08588	0.5
111.04456	0.9
111.08072	2.3
115.05560	0.4
115.25681	0.3
117.05756	0.5
117.07057	0.5
118.06583	0.7
119.04990	0.3
119.07327	0.6
119.08559	0.7
120.08112	2.8
121.06531	1.1
121.08833	0.3
122.09669	0.8
123.08089	0.3
124.07670	0.4
124.11253	0.5
125.05989	0.6
127.03941	0.4
129.07106	0.5
130.06555	0.4
131.08589	0.8
132.08081	2.0
133.10149	0.4
134.09662	1.0
135.08109	0.5
136.07538	0.5
136.11246	0.9
137.09631	0.7
138.09209	0.6
139.03944	0.7
139.07552	0.8
141.05473	0.6
143.08611	0.8
144.08040	0.7
145.06503	0.4
145.10158	0.8
146.06038	0.8
146.09665	1.2
146.34499	0.3
147.08070	1.3
148.07573	0.6
148.11246	0.8
149.05983	0.8
149.09598	0.4
150.09134	0.6
153.05499	0.3
153.09061	0.3
154.12326	0.6
157.10165	0.5
158.09689	0.9
159.08009	0.3
159.10429	0.5
160.07568	4.6
160.11218	4.6
161.09624	0.6
161.12079	0.4
162.09198	0.9
162.12799	1.4
163.07558	0.6
164.10710	0.6
166.08708	0.5
167.03477	0.8
168.10210	0.7
169.08757	0.4
170.09724	0.3
172.11313	0.5
173.08374	0.4
173.09694	0.5
174.09203	0.9
174.12856	1.2
175.09927	0.5
176.10736	1.4
178.08647	0.7
179.07011	0.7
180.13826	0.5
181.04958	0.4
181.08664	0.4
182.11749	1.0
184.11247	0.8
186.12828	0.6
188.10684	4.5
189.09094	0.4
192.10196	0.7
192.13818	0.4
193.10944	0.4
202.08661	0.6
202.12262	6.2
202.16069	0.4
203.07559	0.3
203.09451	1.4
204.10182	2.0
204.13907	1.5
206.05705	0.3
207.06512	0.6
212.14348	0.6
213.12781	0.4
214.12271	0.4
216.10196	5.7
216.13742	0.4
218.11818	0.5
220.13316	8.1
220.16907	0.5
230.15411	3.5
231.13826	0.7
234.11453	0.5
237.07739	0.5
239.09200	1.4
240.13910	0.4
247.13347	0.5
248.16460	4.4
251.09172	7.2
251.11600	0.6
258.14917	5.8
258.17456	0.6
260.16483	0.8
265.07092	8.8
265.10770	0.6
266.17529	1.6
276.15933	4.0
294.16989	8.2
303.38745	0.4
335.11206	1.5
425.00284	0.4
434.21671	0.7
496.23236	0.6
514.24512	1.5
532.25427	100.0
533.25879	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	532.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
55.01862	0.3
55.05486	0.6
56.05008	0.2
57.03418	0.2
57.07068	0.8
67.05504	2.2
68.05005	0.4
69.03070	0.2
69.03423	3.4
69.07039	0.7
69.47485	0.4
69.47874	0.3
70.06559	0.4
71.04963	0.5
77.03942	0.1
79.05495	1.4
80.05013	0.8
81.03400	0.8
81.07050	1.1
82.06559	0.6
83.00960	0.2
83.01340	1.6
83.04986	0.9
83.07358	1.3
83.08595	0.2
84.08128	0.3
85.02889	1.0
85.06517	0.2
86.06070	0.7
87.04452	0.4
91.05475	2.0
93.07049	1.8
94.06557	0.9
95.04523	0.1
95.04971	1.5
95.08607	0.9
96.08123	1.5
97.02859	0.4
97.06516	0.8
98.06039	0.3
98.09669	0.2
98.22738	0.3
99.04459	0.9
103.05466	0.3
105.07024	1.6
106.06546	1.5
107.04928	0.5
107.07349	0.2
107.08586	0.8
108.08076	0.6
109.02831	0.2
109.06502	0.6
109.08934	0.2
109.10133	0.3
110.06821	0.2
110.09635	0.3
111.04440	0.3
111.08080	1.5
112.07568	0.3
113.05982	0.5
115.03942	1.1
115.05457	0.3
117.07041	0.9
118.06544	0.7
119.04951	0.4
119.07335	1.0
119.08564	1.5
120.08105	5.7
121.06505	3.1
121.08834	0.3
121.10099	0.5
122.09684	0.8
123.04409	0.5
123.08041	0.5
124.11256	1.1
125.05993	0.6
126.12759	0.7
127.03889	0.6
128.06186	0.3
129.06987	0.6
130.06511	0.5
131.04877	0.5
131.07263	0.3
131.08534	0.8
132.08069	0.8
134.05959	0.3
134.09669	0.9
135.04424	0.4
135.08060	1.0
136.11201	1.1
137.05969	1.1
137.09618	1.1
138.09128	0.3
138.12790	1.7
139.03876	1.2
139.07538	0.8
140.07071	0.2
143.03404	0.8
143.08525	0.4
144.08047	0.5
145.04939	0.4
145.06453	0.6
145.10088	0.5
146.05981	0.4
146.09637	1.2
147.04419	0.4
147.06787	0.5
147.08014	2.7
147.10493	0.3
147.11665	0.7
148.07573	2.1
148.11182	0.7
149.05984	0.9
149.08423	0.3
149.09602	0.8
150.09109	0.3
150.12706	0.2
151.03876	0.3
151.07549	0.4
152.10721	0.7
153.05406	0.2
153.09103	0.8
154.12234	1.1
155.03412	0.2
157.10132	0.3
158.09610	0.6
159.07993	0.7
159.11664	0.2
160.07527	0.6
160.11229	1.5
161.05991	0.3
161.08377	0.4
161.09599	0.6
161.11920	0.4
161.13213	0.3
162.09143	3.1
162.12778	9.9
163.07532	0.4
163.11195	0.2
163.13235	0.3
164.07149	0.2
164.10623	0.2
164.14354	2.0
165.05482	1.3
165.09084	0.3
166.06190	0.5
166.08731	0.2
167.03391	0.3
167.07138	0.2
167.10672	0.3
170.11765	0.4
172.11244	0.3
173.06003	0.2
173.09584	0.4
174.09161	0.7
174.12761	0.8
175.07491	0.6
175.09869	0.7
175.11197	0.3
175.14786	0.3
176.08466	0.2
176.10703	1.2
176.14316	2.0
177.05473	1.6
177.09117	0.3
177.12737	0.6
178.08533	0.3
179.06996	0.3
181.04947	2.4
181.08572	0.7
182.11665	0.2
183.02827	0.2
184.11253	0.4
186.09155	0.3
186.12776	0.9
187.07541	0.2
187.14861	0.4
188.10698	2.0
188.14285	0.3
189.09138	0.2
189.12805	0.2
189.84592	0.2
190.08513	0.2
190.12239	1.8
190.15858	0.2
191.07053	0.2
191.10652	0.3
191.12909	0.3
192.13858	0.2
193.04956	1.2
193.08577	0.2
194.05693	0.4
194.11755	0.8
197.08067	0.2
199.09540	0.2
200.10764	0.3
202.08823	0.2
202.12216	1.4
203.09309	0.8
203.14319	1.0
204.10162	1.5
204.13831	20.4
204.17484	1.5
205.12250	0.3
205.14143	0.4
205.15855	1.3
206.11798	0.3
206.15413	0.2
207.06491	0.6
208.13284	0.5
209.08064	1.4
209.15302	0.2
210.05228	0.2
214.15857	0.7
215.14299	0.8
216.10222	1.3
216.17531	0.4
218.11720	1.1
218.15387	0.6
220.13272	1.3
221.08057	0.6
221.15300	0.2
222.05241	0.6
222.14888	0.3
225.07469	0.4
230.15387	1.4
231.13838	1.2
232.16946	7.9
233.15327	0.6
233.17374	0.2
237.07561	2.1
239.09138	0.4
242.15314	0.8
248.16451	0.9
250.18054	2.1
251.09151	0.6
258.14890	3.0
260.16443	12.5
261.16852	0.2
265.07089	2.2
276.15918	0.9
278.17502	7.4
281.06522	2.0
293.10257	0.2
294.16949	1.5
295.17355	0.2
335.11234	0.7
351.10651	0.6
356.18900	0.2
377.37421	0.1
434.21567	0.4
468.23480	0.3
478.27802	0.2
496.23074	0.8
496.29514	0.3
514.24255	1.6
532.25397	100.0
533.25720	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	532.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01875	2.8
55.05483	0.7
57.03395	1.7
59.04969	0.7
61.02874	2.0
61.03154	0.6
63.61413	0.6
67.05477	1.2
69.03431	9.5
70.06541	1.5
70.77673	0.7
71.04961	0.9
72.08114	0.6
73.02866	1.8
74.68452	0.5
79.05449	1.8
80.05004	0.8
81.03372	2.1
81.07040	0.7
84.08087	1.8
85.02909	7.0
87.04423	1.8
93.06985	1.7
94.06522	1.5
95.08561	1.3
96.08104	1.1
96.92090	0.4
97.02893	3.8
97.06474	0.7
98.06001	0.5
99.04400	1.5
99.41808	0.5
101.02379	0.6
105.06988	1.2
106.06536	0.7
107.08565	1.3
108.08073	1.8
109.02843	1.3
110.09648	1.0
112.07593	0.7
117.07001	0.6
119.08526	1.4
120.08070	1.3
121.08817	0.5
122.09611	1.0
124.07578	0.9
125.05994	4.1
126.09143	0.6
127.03933	1.1
131.04808	0.5
131.08615	0.5
134.09645	4.8
136.11156	1.2
145.10098	0.9
146.09583	1.5
148.07622	0.5
148.11107	2.3
149.11940	1.6
150.09074	1.8
150.12738	0.5
152.10658	1.4
153.09006	0.6
158.09560	0.9
160.11215	1.0
162.09129	0.8
162.12775	0.5
163.03871	0.6
164.10681	1.4
167.05714	0.5
168.10188	0.7
172.11177	1.4
174.12727	1.2
176.14279	0.5
178.12233	1.3
182.11746	2.0
190.12241	2.7
194.11896	0.6
196.13318	1.4
202.12230	0.8
202.46771	0.5
208.13333	1.5
214.12202	1.3
216.13892	0.9
218.11792	1.3
218.15414	1.0
220.13306	2.4
222.14922	3.5
228.13771	1.8
232.13295	1.7
234.14865	0.5
236.16496	0.8
238.14339	1.1
246.14890	6.7
247.15703	0.5
248.16559	0.8
250.14389	1.1
256.16861	0.9
260.16336	0.8
262.14401	1.2
264.15976	12.3
265.16687	0.7
278.17520	4.8
292.18964	0.9
294.16925	1.6
296.18564	2.8
302.17468	1.3
308.18594	0.8
310.20142	3.6
320.18518	6.8
324.18243	0.8
326.19638	9.2
334.20105	3.8
338.19577	5.6
352.21182	45.4
353.21481	1.4
354.26117	0.6
370.22244	73.9
371.22501	1.7
406.74716	0.5
426.21429	0.5
514.26746	4.4
532.27557	100.0
533.28046	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	532.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.05515	2.3
58.05280	1.3
67.05509	4.5
69.03419	2.2
70.06604	2.3
71.20095	1.7
79.05514	4.2
81.07040	11.2
83.08591	1.6
85.02882	3.2
86.09731	1.8
89.12446	1.3
91.05484	5.5
93.07051	8.5
95.08604	10.6
97.10162	2.3
100.48363	1.4
105.07025	9.1
106.91088	1.4
107.08591	8.6
109.10155	17.2
111.08084	2.4
115.03952	3.4
117.07003	2.1
119.08572	6.5
121.10143	5.0
127.03897	2.1
131.08542	6.7
133.10117	5.7
135.11665	3.9
137.09612	6.1
143.08575	4.5
145.10146	9.8
147.11681	7.9
149.01216	2.9
149.02344	37.3
149.13274	2.1
155.08543	3.2
157.10126	6.0
159.09183	2.6
159.11737	9.4
161.13252	5.1
169.10117	8.6
171.11685	9.4
173.13300	4.4
175.11185	1.9
182.62491	1.4
183.11636	3.3
185.13263	3.5
187.14743	2.3
189.12740	2.3
193.12267	2.5
197.13254	11.0
199.14825	4.2
211.14821	5.6
213.16351	3.2
215.14325	2.8
221.08092	18.7
225.16360	7.2
229.19511	1.8
233.15402	2.2
241.19620	4.1
243.21159	7.2
253.19508	29.9
259.20670	10.5
271.20554	100.0
272.20959	3.1
273.22253	2.1
281.19156	1.5
289.21637	35.7
299.20047	35.4
317.21124	93.5
335.22177	29.3
336.22516	1.9
347.14975	2.0
459.42758	1.5
532.25665	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	532.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99555	1.8
55.05526	13.5
57.03437	3.9
61.02936	5.4
65.21420	1.9
67.05158	4.5
67.05508	71.5
67.05869	3.9
69.07083	11.2
69.65483	4.2
69.65866	4.0
71.05001	3.2
71.08641	2.6
73.02934	2.7
79.05495	43.0
81.07062	79.8
83.08627	7.9
85.02908	4.8
85.06552	4.1
91.05495	16.9
93.07055	60.1
95.04994	4.6
95.08607	53.8
97.02894	4.1
97.10159	3.6
98.22753	2.5
99.08103	2.5
105.07034	17.9
107.08603	37.5
109.10169	27.5
111.08057	2.6
117.07037	9.4
119.08562	14.6
121.10158	37.4
122.69251	1.9
123.11713	14.7
131.08582	16.4
133.10115	14.9
135.11707	28.4
137.09619	3.7
137.13297	6.5
145.10152	15.4
147.11702	12.9
149.13280	20.8
151.11194	3.3
159.11665	12.2
161.13313	11.3
163.14830	15.0
165.12779	3.0
171.57059	2.1
173.13234	14.9
175.14859	3.7
177.16487	4.8
187.14838	10.6
201.16383	2.9
233.22714	3.9
243.21104	33.9
244.21214	2.4
261.22147	100.0
262.22546	2.4
279.23166	2.5
335.25861	15.6
353.26859	33.8
437.88739	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	532.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05511	11.8
56.34214	2.4
57.03433	8.4
57.07070	8.5
65.03938	4.5
67.05505	79.4
69.03456	3.4
69.07060	12.4
69.68056	6.3
69.68440	5.7
70.06586	3.9
71.04990	9.7
71.08634	3.2
79.05487	46.0
81.03432	15.5
81.07060	66.0
83.04987	5.7
83.08621	11.4
85.02911	7.2
88.94374	2.7
89.35802	2.7
91.05481	27.7
93.07044	54.8
95.04960	8.7
95.08603	59.5
96.57883	2.8
97.02863	3.4
97.06522	7.3
97.10188	5.2
99.08109	5.9
105.07055	19.7
106.89313	2.9
107.04935	3.2
107.08595	32.1
109.06522	3.6
109.10167	35.4
111.08081	3.6
113.09660	3.3
117.07027	8.9
119.08577	16.4
121.10161	28.8
123.11713	10.6
130.71547	2.8
131.05734	2.8
131.08548	21.0
133.10167	13.8
135.08110	3.7
135.11702	24.6
137.09691	4.6
137.13287	7.0
140.79669	2.9
145.10130	12.8
146.11746	3.1
147.11664	11.8
148.63370	2.9
149.09544	4.0
149.12280	2.8
149.13274	20.8
151.07507	2.9
151.14885	3.5
153.12781	3.0
157.10164	3.1
159.11707	10.5
161.13234	8.3
163.11137	4.0
163.14835	15.8
165.09207	3.5
165.12706	4.2
165.16537	3.3
173.13264	11.3
175.14778	3.6
177.16367	9.2
179.14267	3.1
187.14771	6.4
191.14200	2.9
193.12221	6.8
211.13295	9.2
233.22638	7.8
243.21068	38.0
255.16144	3.0
256.26147	3.8
261.22150	100.0
267.15979	4.1
279.23209	5.1
285.16913	5.8
286.16946	3.5
287.18506	7.4
300.29077	13.3
300.45956	3.3
335.25781	28.8
353.26871	52.9
421.25540	5.4
439.26758	20.4
443.27710	4.6
447.27307	3.3
461.28955	3.7
465.28540	7.8
479.30179	5.9
497.30743	11.3
532.25403	7.1
532.32581	29.9
533.27240	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	532.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31431	1.6
55.05502	7.7
57.03448	15.2
57.07084	1.7
67.05506	31.3
69.03426	2.6
69.07071	10.8
71.01367	2.9
71.04994	2.4
79.05498	29.1
80.92783	1.5
81.02961	3.2
81.03425	46.5
81.07066	17.6
83.04978	6.9
83.08615	9.7
85.06532	2.1
91.05489	17.1
93.07056	27.6
95.04973	15.0
95.08596	7.1
95.09145	1.7
97.06536	9.3
97.10159	5.5
105.07050	9.5
107.04970	3.4
107.08596	21.2
109.06533	4.0
109.10155	5.5
111.08086	4.9
117.07032	4.7
119.08578	9.0
121.06450	2.0
121.10140	6.7
129.06999	5.5
129.75525	1.9
131.08572	4.1
133.10123	4.6
135.08115	2.1
135.11699	30.4
137.09615	2.6
145.10115	7.0
147.08095	3.0
147.11691	4.1
149.09689	2.3
157.10094	8.7
161.65808	1.6
163.11203	6.6
170.13126	1.4
175.11267	8.7
176.46202	1.6
178.85585	1.6
181.12257	5.4
189.17557	1.5
193.12234	11.7
199.13341	1.9
251.12491	2.0
255.15921	68.7
256.16278	2.3
267.15964	39.3
352.25662	2.3
364.18256	2.1
373.23685	1.8
421.25604	3.8
447.27469	100.0
448.27686	4.5
465.28622	3.7
483.27194	2.3
532.18878	2.7
532.26489	11.7
533.27258	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	532.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.1
57.03439	4.1
57.07077	100.0
57.16186	1.9
61.44566	2.2
67.05511	15.8
69.07077	9.9
69.22286	12.5
71.08637	7.7
79.05508	7.2
81.07070	10.6
83.08633	6.7
84.32259	2.0
85.10184	5.5
91.05479	2.5
93.07059	6.4
95.08630	6.4
97.10162	12.6
107.08611	8.7
109.10168	10.4
125.09634	10.7
127.11192	37.2
135.11703	7.0
143.10680	7.1
153.12761	5.4
155.14333	3.6
155.99213	2.0
182.56134	2.1
199.13332	6.7
201.14845	17.5
217.27051	2.3
229.17987	12.2
325.23828	11.4
327.25287	82.2
328.25403	2.6
343.24680	3.1
353.26852	62.4
353.31119	3.8
355.28421	47.2
371.27802	9.9
497.37872	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	532.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.7
57.03421	3.3
57.07079	63.3
67.05497	12.2
69.07082	4.1
71.05006	5.5
71.08636	20.6
71.10834	2.6
79.05481	4.1
81.07059	15.8
82.92133	2.1
83.08617	5.0
85.10169	10.9
95.08617	12.4
97.10165	12.6
109.10172	7.4
112.97534	2.5
113.09633	11.8
114.10011	6.8
121.98591	2.1
125.09637	16.4
127.11221	17.3
139.10252	2.3
141.09126	4.3
142.64993	2.2
143.10680	13.4
155.14305	7.9
201.14828	20.9
204.16461	2.3
229.17998	23.9
285.18655	2.4
325.23737	6.0
353.27032	4.2
355.28452	100.0
356.29135	2.6
357.29108	3.6
429.31055	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	532.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77565	22.8
54.53252	24.7
55.81997	22.9
57.07076	33.5
69.57468	100.0
78.86319	26.0
85.94908	28.5
104.94075	29.8
140.67950	27.3
229.56992	26.1
250.17717	42.6
316.42691	30.1
325.23654	28.8
327.25232	35.1
404.21759	33.6
433.63654	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	533.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.3
82.52940	0.9
84.08145	1.5
97.02956	1.0
98.97581	4.9
106.57625	1.0
116.98650	1.7
128.98630	1.6
130.93309	2.5
134.99739	1.0
136.06149	1.8
137.31740	1.0
151.04033	1.0
154.93269	1.7
156.03673	1.1
158.99664	1.8
163.03922	1.2
172.94382	2.3
173.01195	1.4
177.00743	1.4
181.04982	1.2
191.02316	1.7
196.95253	1.4
200.97549	1.5
210.95830	5.7
211.99869	0.9
212.97438	2.0
216.96964	1.2
219.01846	2.0
226.95341	2.5
228.96962	35.4
230.98326	1.5
237.02975	1.4
244.96474	11.8
246.98001	27.3
252.97139	1.7
256.96991	2.0
262.97516	17.0
264.99036	2.7
270.98029	8.0
274.97641	3.8
280.97360	1.5
282.98096	2.5
286.97495	4.3
288.99103	5.1
291.03986	1.3
292.98410	6.5
297.41681	1.1
298.97650	5.3
300.98935	2.3
304.98349	1.8
308.99506	5.6
311.01263	8.0
316.98590	12.8
323.99265	1.6
324.99164	1.6
327.00681	54.9
328.00848	1.3
328.98956	1.6
329.02206	10.5
330.99979	1.1
334.99615	6.3
336.98923	1.4
339.00998	1.9
343.00153	16.0
345.01630	19.9
346.99472	2.3
352.98718	1.4
355.00134	29.0
357.01706	1.9
358.99646	1.9
361.01114	10.9
364.99597	1.6
370.99393	13.9
371.02963	2.0
373.01184	41.5
375.02805	1.2
380.03497	1.5
382.99658	17.3
389.00653	32.2
389.05560	2.6
389.19727	1.1
391.02457	6.8
401.00671	100.0
402.01175	2.7
407.01636	10.3
413.00784	4.9
419.01746	55.8
420.01871	1.6
425.01401	1.2
431.01862	5.2
434.03113	3.7
437.02707	4.8
443.03223	6.1
452.04031	3.6
461.03214	1.8
473.06577	3.3
497.02756	2.4
515.03717	1.6
532.27533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1657
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
53.03954	1.1
55.01868	3.4
55.05511	1.3
57.03426	1.4
58.96939	0.6
61.02919	1.8
62.09119	0.8
65.03930	3.8
67.05489	1.4
69.03436	6.6
69.07049	1.2
69.45027	2.9
70.06579	2.2
71.05006	1.1
79.05480	3.9
80.04986	0.8
81.03410	8.9
81.07050	3.2
83.05000	1.4
85.02899	11.3
87.04470	1.8
88.98320	0.8
91.03957	0.9
91.05466	1.5
93.07037	2.3
95.04974	2.1
95.08624	3.4
97.02895	5.3
97.06530	3.2
98.23376	1.6
99.04463	1.9
103.05441	1.4
105.07014	2.1
109.02877	2.5
109.06502	1.6
109.10134	0.9
111.04443	1.0
113.19792	0.7
115.03954	1.1
115.05463	2.3
117.07006	1.5
119.04926	1.0
119.08605	1.1
121.02837	1.9
121.06503	0.8
121.10165	0.9
123.04436	2.0
127.03919	2.7
128.06230	2.5
129.07011	10.8
131.04944	1.9
131.08549	1.4
133.10101	1.0
135.04417	83.3
136.04776	0.8
136.11206	1.0
137.09650	0.9
139.03874	2.0
143.04922	4.2
145.04939	2.5
145.06465	2.0
145.10115	0.9
147.04411	3.0
147.11728	1.4
149.02341	100.0
150.02664	1.4
151.03877	5.5
155.04880	0.7
157.06508	11.1
159.04393	2.3
160.02101	0.8
161.05978	1.5
162.12804	1.2
163.03914	4.9
165.05458	1.2
171.04433	2.4
173.05934	5.1
173.13327	0.8
175.07526	1.0
177.05499	1.7
185.06001	3.0
187.07529	10.0
189.05463	7.3
191.08493	1.1
194.11877	0.9
201.05443	22.2
203.07010	6.0
204.13786	1.0
205.34616	0.8
207.08069	0.8
213.05350	1.5
215.07112	1.2
219.06282	5.1
219.08124	2.9
224.04831	0.8
224.16566	1.3
231.06490	13.0
234.06660	1.2
235.07587	2.4
235.24390	0.8
237.07431	1.0
247.07504	3.9
248.16505	0.9
249.07349	1.4
250.18071	1.2
257.11804	1.0
259.07510	2.9
259.09811	1.6
262.06296	1.2
263.07123	1.0
265.08694	1.3
268.07178	1.1
275.07013	2.8
277.08585	6.1
280.07199	1.1
281.04315	1.5
282.02008	0.7
282.05191	3.3
287.07092	2.5
293.08044	3.2
305.08093	7.0
307.09686	2.9
317.08084	5.4
323.09113	16.4
335.09122	19.7
337.10635	1.4
341.10062	6.0
353.10175	39.1
355.11761	2.2
371.11298	21.7
489.17621	1.1
515.24567	1.3
516.25793	1.0
532.27405	5.9
533.16669	3.9
533.26056	8.6
533.35291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01868	3.4
55.05511	1.3
57.03426	1.4
58.96939	0.6
61.02919	1.8
62.09119	0.8
65.03930	3.8
67.05489	1.4
69.03436	6.6
69.07049	1.2
69.45027	2.9
70.06579	2.2
71.05006	1.1
79.05480	3.9
80.04986	0.8
81.03410	8.9
81.07050	3.2
83.05000	1.4
85.02899	11.3
87.04470	1.8
88.98320	0.8
91.03957	0.9
91.05466	1.5
93.07037	2.3
95.04974	2.1
95.08624	3.4
97.02895	5.3
97.06530	3.2
98.23376	1.6
99.04463	1.9
103.05441	1.4
105.07014	2.1
109.02877	2.5
109.06502	1.6
109.10134	0.9
111.04443	1.0
113.19792	0.7
115.03954	1.1
115.05463	2.3
117.07006	1.5
119.04926	1.0
119.08605	1.1
121.02837	1.9
121.06503	0.8
121.10165	0.9
123.04436	2.0
127.03919	2.7
128.06230	2.5
129.07011	10.8
131.04944	1.9
131.08549	1.4
133.10101	1.0
135.04417	83.3
136.04776	0.8
136.11206	1.0
137.09650	0.9
139.03874	2.0
143.04922	4.2
145.04939	2.5
145.06465	2.0
145.10115	0.9
147.04411	3.0
147.11728	1.4
149.02341	100.0
150.02664	1.4
151.03877	5.5
155.04880	0.7
157.06508	11.1
159.04393	2.3
160.02101	0.8
161.05978	1.5
162.12804	1.2
163.03914	4.9
165.05458	1.2
171.04433	2.4
173.05934	5.1
173.13327	0.8
175.07526	1.0
177.05499	1.7
185.06001	3.0
187.07529	10.0
189.05463	7.3
191.08493	1.1
194.11877	0.9
201.05443	22.2
203.07010	6.0
204.13786	1.0
205.34616	0.8
207.08069	0.8
213.05350	1.5
215.07112	1.2
219.06282	5.1
219.08124	2.9
224.04831	0.8
224.16566	1.3
231.06490	13.0
234.06660	1.2
235.07587	2.4
235.24390	0.8
237.07431	1.0
247.07504	3.9
248.16505	0.9
249.07349	1.4
250.18071	1.2
257.11804	1.0
259.07510	2.9
259.09811	1.6
262.06296	1.2
263.07123	1.0
265.08694	1.3
268.07178	1.1
275.07013	2.8
277.08585	6.1
280.07199	1.1
281.04315	1.5
282.02008	0.7
282.05191	3.3
287.07092	2.5
293.08044	3.2
305.08093	7.0
307.09686	2.9
317.08084	5.4
323.09113	16.4
335.09122	19.7
337.10635	1.4
341.10062	6.0
353.10175	39.1
355.11761	2.2
371.11298	21.7
489.17621	1.1
515.24567	1.3
516.25793	1.0
532.27405	5.9
533.16669	3.9
533.26056	8.6
533.35291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01877	2.5
65.03944	0.5
69.78795	0.8
69.79182	0.7
75.13691	0.3
77.03921	0.8
79.05492	6.4
89.03927	0.6
90.04703	0.8
91.05470	1.9
95.04958	1.4
102.04666	0.4
103.05463	8.8
105.04511	1.2
105.07025	63.5
106.07397	0.7
107.05020	0.5
115.05450	13.1
118.04154	4.0
119.04929	0.8
131.04910	3.8
132.05635	0.4
133.06487	61.3
134.06850	0.5
137.05984	0.6
141.96368	0.3
143.04947	0.8
143.06015	6.6
143.07047	0.6
146.03455	0.5
147.04419	1.2
148.05168	0.9
149.02364	0.4
149.05965	2.5
158.16182	0.3
161.05971	100.0
162.06384	1.8
163.07555	1.6
184.04962	3.7
185.05766	1.8
191.07033	7.4
193.08595	53.6
194.09001	0.9
212.81749	0.3
215.06779	18.8
219.06287	2.5
228.07549	0.5
233.07951	0.3
237.07985	0.4
240.90927	0.4
256.09558	0.5
259.09412	0.3
351.11954	0.7
357.80029	0.3
387.96884	0.3
411.14142	33.0
412.14392	1.2
533.10272	0.6
533.17828	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	533.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
55.01874	2.4
70.06605	0.7
71.45383	0.4
77.03922	0.5
79.05490	6.4
88.07627	0.9
89.03899	0.7
90.04692	1.0
91.05485	2.2
95.04942	1.5
96.35950	0.3
102.09161	0.8
103.05466	10.2
104.06234	0.3
105.04509	0.9
105.07027	65.4
106.04154	0.4
106.07350	0.8
107.04950	0.4
112.07608	0.5
115.05450	14.3
118.04155	4.6
119.04913	1.4
121.06528	0.6
131.04916	4.1
132.05707	0.7
133.06485	60.1
134.06827	1.0
137.05965	0.9
143.04901	1.4
143.06020	7.0
146.03493	0.4
147.04404	1.7
148.05202	0.9
149.02361	1.8
149.05974	3.4
152.61369	0.3
158.92726	0.4
161.05972	100.0
162.06436	1.5
163.07568	1.7
164.08351	0.4
179.07005	0.4
184.04958	3.9
185.05754	2.0
191.07021	12.6
192.07642	0.6
193.05002	4.3
193.08597	46.8
194.08896	0.5
215.06778	16.9
219.06198	1.8
256.26379	3.0
322.11465	0.5
336.09689	0.5
351.11899	1.3
411.14130	21.0
412.14420	0.7
422.29199	0.3
533.17914	8.7
533.26599	0.7
533.35718	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	533.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47659	0.2
54.22163	0.2
55.01869	1.7
61.01149	1.7
66.91742	0.2
67.05488	0.3
68.99792	2.6
69.16258	0.7
69.16663	0.5
71.01347	0.5
72.04516	4.0
78.03790	3.4
79.90324	0.2
84.08123	0.4
85.06544	0.5
86.06050	1.3
88.02222	3.6
95.04958	0.3
98.02409	0.3
98.06047	0.7
99.05569	1.5
102.03762	4.6
103.02195	0.3
107.04948	0.9
113.05965	0.5
114.03744	0.7
115.08665	1.5
120.04753	0.3
124.07595	0.7
128.06221	0.6
129.07007	1.5
130.08661	0.6
131.06396	2.9
131.08556	0.6
132.04794	4.8
133.02847	0.8
137.02303	0.3
137.05960	0.3
141.06915	0.6
142.08636	1.8
143.08565	0.8
144.05562	0.2
147.04384	0.2
149.07442	21.6
151.03900	0.5
152.06171	1.2
153.06990	4.6
154.49712	0.2
157.06493	5.7
159.05884	1.5
159.08018	0.6
164.28691	0.2
165.06993	0.9
169.06467	0.5
171.08031	1.8
175.05330	0.6
178.04990	3.2
181.06480	13.5
182.06984	0.4
184.05222	0.5
184.09737	1.1
185.05980	3.4
187.07558	1.7
198.06741	0.5
199.07553	7.9
209.05945	4.3
210.06720	0.6
213.05466	7.0
226.06232	0.7
227.07033	15.9
228.07390	0.3
237.05501	2.7
242.17291	0.2
243.11513	1.2
245.10411	0.5
255.06517	100.0
256.06863	2.6
261.12680	25.7
262.12741	0.3
272.09177	0.4
284.09100	2.7
326.10223	9.0
327.10635	0.3
343.17648	0.7
354.54144	0.2
403.13196	2.8
450.60437	0.2
487.30731	0.3
515.10931	0.3
515.18457	3.0
533.31384	1.3
552.46436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35274	0.3
51.92917	0.2
57.03426	0.3
58.36860	0.2
61.02919	0.6
69.03428	1.0
69.94814	0.5
69.95177	0.6
70.06591	0.7
72.08141	0.4
81.03395	0.3
84.04544	0.3
84.08118	0.5
85.02898	3.3
86.09703	0.7
94.22347	0.2
97.02881	1.0
98.23303	0.5
109.02864	0.4
116.07065	0.5
118.06496	1.4
127.03961	0.4
129.10236	0.4
145.04973	0.7
146.06004	100.0
147.06340	1.2
160.07602	0.7
163.03871	0.3
170.06012	0.4
180.08679	0.8
182.81438	0.2
188.07048	1.7
192.06551	78.2
193.06880	1.0
234.07555	0.7
308.18658	0.4
318.09845	0.5
336.10693	1.1
354.11838	5.1
427.48438	0.3
530.63727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40718	0.4
54.02745	0.3
58.45718	0.3
61.02927	0.4
61.81113	0.5
66.04565	0.3
69.03423	1.5
70.06595	2.5
72.08153	0.7
81.03401	1.5
83.37061	0.3
84.04505	0.6
84.08138	0.8
85.02913	4.4
86.09711	1.0
92.75512	0.3
97.02892	1.7
99.04489	0.5
103.03951	0.5
109.02861	1.2
110.07139	0.8
118.06537	0.7
127.03910	1.5
129.10207	0.6
135.48026	0.3
145.04945	0.9
146.06006	100.0
147.06340	1.3
160.07579	6.1
166.06046	0.3
170.06010	0.5
174.05418	0.4
184.07449	0.4
186.05553	0.5
188.07068	11.6
192.06558	33.2
204.06619	0.6
212.07076	0.6
230.08124	0.7
234.07683	1.1
235.11923	0.5
254.08049	0.5
257.16388	0.4
258.07620	0.7
272.09113	1.0
290.10272	1.7
300.08670	1.2
308.11316	4.7
318.09705	5.2
336.10773	20.7
337.11450	0.4
354.11771	1.6
395.92142	0.4
395.96820	0.4
418.81213	0.4
498.16089	1.3
533.26959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01875	4.1
55.05487	2.8
55.51828	0.6
57.03438	6.4
57.07042	0.9
59.04990	1.2
59.16050	0.6
61.02927	10.6
67.05479	3.1
69.03430	27.5
69.07071	10.0
71.05010	3.9
71.44823	0.8
73.02921	4.4
77.03877	0.6
77.20078	0.7
79.05480	5.1
80.00663	0.6
80.05032	1.0
80.60403	0.8
81.03416	14.0
81.07059	4.7
83.01338	1.3
83.04945	2.5
83.08601	2.3
83.50121	0.7
85.02906	90.9
85.06533	0.7
87.04462	5.7
91.03974	5.0
91.05487	3.8
92.05846	0.8
93.07040	4.1
95.04958	8.1
95.08601	5.4
97.02895	31.5
97.06536	5.6
99.04467	6.8
100.17166	0.7
105.07020	4.3
107.04921	1.0
107.08601	6.0
109.02884	9.7
109.06492	5.7
109.10146	3.3
111.04403	1.0
111.08051	2.5
113.01614	0.7
113.06007	1.3
115.03917	2.5
115.05547	0.7
117.07049	0.8
117.85703	0.7
119.08596	4.1
120.08102	1.1
121.06476	2.8
121.10143	2.8
122.07283	4.2
123.08076	19.2
123.11645	0.9
125.05984	1.0
127.03919	24.5
128.45807	0.7
131.08566	2.0
133.10110	5.7
135.08054	30.7
135.11705	4.4
136.11179	1.0
137.09586	2.4
143.07027	0.8
145.04959	38.6
145.10095	1.7
147.08031	1.1
147.11681	3.5
148.08766	1.0
149.05988	1.2
149.09612	1.1
149.13264	1.3
154.12337	1.0
159.11673	0.8
161.09612	1.7
163.06052	5.9
163.14778	1.7
165.12752	21.4
171.06544	1.9
173.09636	1.6
173.13272	1.2
175.14832	3.4
176.11946	5.8
177.12680	0.8
189.07558	2.7
191.14310	100.0
192.14688	2.5
193.15869	13.4
207.13768	3.2
209.15366	17.3
215.10675	0.9
232.16805	1.1
249.16830	0.9
250.18045	1.7
251.18280	2.1
259.09567	0.9
265.07050	3.0
266.07184	0.9
271.07800	0.8
276.16049	1.0
278.17285	0.9
295.17303	1.1
309.16943	1.0
353.19604	3.7
371.20648	11.1
410.52368	0.8
453.15170	0.8
515.24811	1.5
516.26105	1.3
533.25885	84.2
533.35681	11.7
534.26636	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	533.2726
Annotation	Roridin A
Peak:m/z	Relative Intensity
54.33332	0.4
54.33633	0.5
55.05510	0.6
57.03442	0.5
59.48464	0.5
69.73767	1.6
79.05497	0.7
81.03418	1.1
81.07050	1.2
83.01377	0.5
83.04965	0.6
83.08595	0.9
85.02905	1.3
91.05482	1.1
93.07055	1.8
95.04980	0.9
103.23742	0.6
104.59721	0.5
105.07052	0.5
109.06558	0.6
119.08601	0.7
122.56128	0.4
123.08070	0.6
129.07021	0.4
134.26526	0.5
135.11673	0.6
139.29282	0.5
163.11153	0.9
249.11049	2.0
251.12582	2.6
283.15497	0.5
305.13638	2.0
307.15173	6.3
471.05423	0.5
533.27209	100.0
534.27441	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	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99201	0.3
55.05517	2.0
56.48502	0.3
57.03433	1.2
57.07065	1.1
63.02378	0.4
65.11067	0.3
67.05512	1.7
69.07070	2.3
70.69851	0.5
71.08621	0.4
72.71667	0.3
79.05494	0.7
81.07076	1.8
83.08623	1.2
85.10147	0.3
86.31482	0.3
89.03918	4.6
93.07030	0.7
95.08598	1.4
97.06522	0.4
97.10168	0.7
101.20650	0.3
107.08597	0.7
109.10135	0.4
117.03381	15.9
121.10155	0.5
124.72379	0.3
130.17578	0.3
134.03635	1.1
135.04411	1.2
136.06180	0.7
145.02844	41.3
146.03152	0.6
149.05975	5.0
156.97778	0.3
158.06004	0.7
162.03162	0.4
163.03882	1.1
177.05470	100.0
178.05769	1.3
181.75531	0.3
186.05504	2.5
195.00308	1.7
195.06477	0.8
215.07045	0.8
251.08957	0.5
262.02628	0.3
339.28903	0.7
339.99850	0.3
385.68542	0.3
515.27002	0.3
533.28094	3.7
533.34619	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	534.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40289	0.5
56.96567	56.7
67.98178	0.7
70.06577	0.7
70.56647	1.4
83.97643	0.8
85.02882	0.8
98.97574	0.9
103.05491	0.7
120.08108	10.1
128.49905	0.7
128.98543	0.7
136.36873	0.6
144.96872	1.1
145.02841	0.8
149.02716	1.7
165.02269	2.0
166.08650	5.7
167.03816	0.9
176.03853	10.6
177.05508	1.4
178.05391	24.9
181.01770	0.8
183.03279	5.2
186.02251	1.1
192.03282	1.5
194.04869	4.1
196.06435	13.4
201.04323	3.2
204.03276	8.4
208.02858	2.1
210.04321	1.0
222.04376	51.6
223.04990	1.0
240.05426	38.4
268.15347	1.5
308.18488	1.0
326.19489	1.5
351.10156	2.6
354.18933	0.7
369.11212	100.0
370.11615	2.5
372.20102	6.7
387.12277	11.2
410.13998	0.8
455.27438	0.6
472.94955	0.6
515.43390	0.7
534.13110	0.9
534.25623	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	534.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
55.05499	4.1
67.05519	2.8
69.03445	3.6
69.07035	5.0
69.29109	8.1
69.29521	3.8
70.06593	3.5
71.04964	2.6
79.05493	8.7
81.03428	3.6
81.07079	4.6
83.04985	3.1
85.02913	6.5
86.09719	5.5
91.05498	9.9
93.07053	10.1
94.20179	2.2
95.04964	7.9
97.02891	2.6
97.06549	7.7
99.04450	4.6
103.05470	2.7
105.07028	43.6
107.04983	6.8
107.08612	5.0
109.02853	3.0
109.06535	3.3
115.05453	2.5
117.07036	4.5
119.04884	2.4
119.08574	5.9
121.06503	25.2
125.05999	10.0
127.03941	5.8
128.06223	2.4
130.07829	3.4
131.08580	9.4
133.06491	22.1
133.10155	2.2
135.04413	2.9
135.08109	3.1
137.05927	3.0
141.06976	3.6
143.07062	6.8
143.08578	4.8
145.06512	12.3
145.10121	49.2
147.04449	3.8
154.07829	3.9
155.08572	8.2
158.07277	17.9
159.08034	12.3
159.11707	18.8
161.06021	4.0
161.09647	4.1
162.06799	5.3
163.07188	4.4
169.10127	6.2
172.08798	5.1
173.09621	100.0
187.11159	40.7
191.10728	3.4
193.80887	1.9
197.09634	10.2
205.12263	24.7
215.10672	67.5
233.11734	69.0
237.83604	3.0
245.06389	2.3
251.12872	3.0
319.11752	4.5
324.09579	3.8
337.12888	13.9
342.10117	2.7
355.14050	11.4
373.48639	2.6
400.94803	2.4
499.17972	10.3
534.26489	9.3
534.33148	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	534.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
53.78725	0.9
55.01873	3.9
55.05503	2.3
63.92287	0.8
67.05507	2.3
68.23586	0.8
69.03436	5.4
69.06747	0.9
69.07056	5.1
71.05001	3.1
79.05495	11.7
81.03428	6.6
81.07076	1.4
83.04996	4.4
85.02901	3.8
91.05473	8.8
93.07040	7.1
95.04984	4.1
95.08592	1.2
97.06532	9.5
98.23433	2.3
99.04459	5.3
103.05453	1.6
105.04585	0.8
105.07028	44.6
107.04963	5.2
107.08606	5.7
109.02872	2.2
109.06477	2.3
113.06019	1.0
115.05482	1.4
117.07022	6.2
119.04951	1.8
119.08620	3.4
121.06503	31.2
125.05988	5.5
127.03939	1.9
128.06230	2.4
129.07024	3.0
130.07809	3.8
131.08582	11.7
133.06490	24.7
133.07504	1.5
133.10179	2.4
135.04414	2.1
135.08060	2.4
137.05956	1.0
141.07031	3.1
143.07021	7.2
143.08562	4.6
144.09369	4.3
145.06477	13.4
145.10126	49.3
147.08025	2.0
151.07553	1.1
153.06993	1.9
154.07764	2.8
155.08524	7.0
157.10127	2.1
158.07260	15.6
159.04410	0.9
159.08066	12.6
159.11688	17.9
161.09627	3.5
169.10081	7.1
171.08041	2.4
172.08794	6.1
173.09619	100.0
174.10011	1.6
178.05969	0.9
179.08591	3.5
182.07269	2.7
187.11176	37.9
189.12793	2.1
191.10669	1.7
197.09601	10.6
205.12260	19.9
215.10678	72.1
216.10992	1.9
233.11734	72.1
233.43761	1.0
234.12106	2.1
251.12935	5.0
287.05463	6.6
319.11850	3.9
337.12753	22.3
355.13824	11.0
481.17206	2.3
497.04871	1.3
499.17978	9.5
500.18350	1.1
534.27020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36184	1.3
55.01877	2.0
62.90055	1.4
64.49301	1.6
65.42753	1.5
67.05519	4.6
69.03420	17.2
69.07083	2.5
71.05005	2.9
77.03947	1.6
79.05515	6.2
81.03418	5.6
81.07069	5.3
81.52753	1.7
83.04996	4.2
85.02917	4.6
91.05479	8.1
93.07049	4.8
95.04980	5.0
97.02896	2.9
97.06541	4.8
99.03899	1.7
99.04434	8.2
103.05476	2.2
105.07030	69.8
107.04955	3.5
107.08608	4.3
109.02879	2.5
109.06505	3.7
117.07023	11.2
119.04927	2.2
119.08615	7.9
121.06518	7.9
125.05962	4.5
129.07013	4.2
130.07777	4.5
131.08569	11.1
133.06508	12.4
133.10121	8.8
141.07021	2.1
142.12253	2.0
143.07028	2.8
143.08601	5.7
144.09366	4.1
145.06502	7.7
145.10127	100.0
147.11647	2.3
154.07788	2.5
155.08603	3.0
157.10156	3.9
158.07297	10.4
159.08015	8.2
159.11699	35.8
161.09657	10.0
163.11194	2.5
169.10130	7.7
172.08826	3.5
173.09624	53.9
187.11176	33.6
189.12752	4.1
191.10713	2.8
197.09657	5.8
205.12245	96.7
206.12543	2.0
215.10674	90.6
233.11728	47.8
251.12851	5.8
265.07108	6.2
272.54318	1.7
279.43533	1.8
287.05582	1.8
309.13422	4.1
319.11786	6.4
327.75287	1.8
337.12830	19.1
355.13803	3.4
373.52533	1.6
382.36185	1.8
455.22833	1.6
470.83240	1.6
481.17084	4.9
499.17920	11.9
511.25696	1.6
516.25708	6.9
534.27252	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	534.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35617	1.6
53.03931	2.2
55.01880	2.9
55.05507	2.4
62.95404	1.6
67.05491	2.1
69.03429	16.7
69.07067	4.0
69.28345	8.1
71.04988	2.5
77.03954	2.1
79.05499	9.9
80.05070	1.5
80.41516	1.6
81.03424	7.0
81.07066	5.8
83.02206	1.8
85.02918	4.2
91.05478	8.8
93.07034	5.1
95.04977	4.5
97.02888	3.1
97.06525	5.3
99.04465	6.2
103.05499	2.4
105.01832	1.7
105.07034	74.7
107.04942	2.0
107.08603	5.8
109.02848	2.6
109.06499	2.0
113.06037	1.8
117.07022	9.5
119.08593	7.7
121.06499	7.9
127.03903	3.8
128.06290	2.1
129.06963	2.5
130.07793	3.4
131.08592	13.8
133.06502	14.5
133.10132	6.3
135.08052	2.3
135.11722	2.2
143.07089	2.5
143.08554	6.2
144.09312	3.3
145.06491	7.6
145.10129	100.0
149.06007	1.8
151.07590	2.3
154.07762	2.1
155.08572	3.4
157.10168	2.1
158.07307	9.0
159.08073	7.0
159.11697	35.5
161.09641	8.9
163.11168	2.6
169.10121	5.3
171.11656	2.7
172.08774	4.0
173.09627	48.5
187.11180	31.0
189.12787	4.0
191.10699	2.9
197.09680	7.9
205.12247	92.4
215.10674	91.6
219.08043	2.1
233.11731	43.4
233.15392	1.9
246.09215	2.6
251.12772	4.1
264.10287	2.7
265.07132	5.7
287.05530	2.1
309.13071	2.8
319.11774	3.4
337.12827	12.8
339.19662	1.7
417.24780	1.7
481.16843	3.7
499.18008	8.9
516.25250	2.8
534.26672	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	534.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.8
55.05511	3.6
61.02921	1.2
67.05505	2.9
69.03432	9.7
69.07069	6.3
69.34708	2.7
69.35088	1.8
71.04996	3.5
74.06071	1.6
79.05492	15.4
81.03419	5.2
81.07057	3.4
83.04990	4.1
85.02908	8.8
85.87274	1.1
87.04478	0.9
91.05482	9.0
93.07050	7.0
95.04958	5.3
95.08611	2.5
97.02895	4.5
97.06538	11.2
98.22651	1.5
99.04472	6.0
103.05510	2.0
105.01864	1.3
105.07033	53.4
107.04941	5.4
107.08587	6.6
109.02869	3.2
109.06503	3.2
111.04417	1.5
113.06002	1.7
115.03941	1.1
115.05464	2.7
117.07050	7.6
119.05019	1.0
119.06011	0.9
119.08619	3.4
121.02856	1.5
121.06512	32.9
125.05990	7.5
127.03925	6.0
128.06233	1.0
129.07014	3.1
130.07794	3.0
131.08563	10.0
133.06496	27.6
133.10162	2.9
135.04420	2.1
135.08098	2.4
141.06987	4.2
143.07060	7.6
143.08585	4.6
144.09351	2.5
145.05040	2.1
145.06502	11.4
145.10121	51.6
147.08083	1.7
147.49213	1.0
151.07600	1.3
153.01909	1.9
154.07777	3.2
155.08543	6.7
157.10115	1.0
158.07280	18.4
158.68294	1.1
159.08061	14.8
159.11684	19.2
161.09618	4.0
168.00946	1.1
169.10120	9.0
171.08035	1.5
172.08810	6.6
173.09621	100.0
179.08586	3.1
182.07303	2.4
187.11179	43.7
188.27014	1.1
191.10736	1.9
197.09607	10.2
205.12257	20.0
205.14087	2.0
210.43790	1.1
215.10677	84.7
233.11726	80.2
234.12062	1.3
251.12778	3.0
275.41205	1.1
287.05515	58.3
319.11722	4.8
322.48450	1.0
337.12811	28.0
355.13870	20.0
398.68161	1.1
499.17999	2.8
534.26904	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	534.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43829	0.2
55.01862	0.3
57.03434	0.5
61.02922	0.4
62.13142	0.2
65.03938	0.6
69.03434	0.9
69.30552	0.5
69.30969	0.5
70.06597	0.2
77.03903	0.3
79.05508	0.9
80.26826	0.2
81.03410	0.4
81.07055	1.0
85.02903	4.6
85.60674	0.2
90.85906	0.2
91.05480	6.5
93.07020	0.3
95.04962	0.3
97.02917	1.3
99.04443	0.3
103.05471	0.4
103.81649	0.2
105.07039	2.2
109.02870	0.2
115.05459	0.5
117.07037	2.1
119.04949	5.9
119.08553	1.2
121.06503	3.4
127.03933	0.9
129.07014	1.2
129.59378	0.2
129.65202	0.2
131.08496	0.3
133.06491	18.1
133.10085	0.4
137.05971	2.5
141.06972	0.2
142.07777	1.8
145.04950	1.8
145.06033	0.2
145.06482	0.3
147.08031	0.6
147.11688	0.6
157.10136	13.8
158.10548	0.3
160.08832	0.8
163.06013	1.3
175.11186	100.0
176.11568	1.5
213.89615	0.2
223.09830	0.3
236.47572	0.2
264.99875	0.2
291.92130	0.2
301.15546	0.2
325.11319	0.7
353.70892	0.2
529.72498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64502	0.2
54.02397	0.3
57.03432	0.6
58.40421	0.3
61.02918	0.7
65.03925	0.5
68.27658	0.3
69.03425	1.1
70.96025	0.5
71.05002	0.3
79.05494	0.8
81.07051	1.1
85.02415	0.4
85.02911	5.0
91.03951	0.3
91.04937	0.5
91.05480	6.4
94.09113	0.4
97.02901	1.4
97.03454	0.3
99.61813	0.3
103.05460	0.4
105.07039	2.7
109.02824	0.3
115.05481	0.8
117.07039	2.2
119.04935	6.4
119.05743	0.5
119.08570	1.0
121.06506	3.7
127.03930	1.2
129.07010	1.1
131.08586	0.6
133.06491	20.0
134.06821	0.4
137.05971	2.3
141.43764	0.3
142.07773	2.0
145.04987	1.8
145.06480	0.3
147.07950	0.3
147.11646	0.8
147.12723	0.3
157.10127	14.6
158.10510	0.4
160.08841	0.8
163.06015	0.9
175.11186	100.0
176.11580	2.3
266.29910	0.3
269.11752	0.6
354.16977	0.4
534.27069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.94755	0.2
65.03942	0.5
66.50726	0.2
69.03422	0.7
69.48232	0.8
70.06604	0.3
73.02966	0.3
79.05483	0.7
81.03387	0.3
81.07052	1.2
85.02913	1.8
91.05476	5.7
93.07009	0.2
95.04966	0.8
97.02906	0.4
103.05458	0.5
105.07028	2.1
107.04984	0.3
115.03918	0.4
115.05446	0.6
117.07034	2.0
119.04940	5.9
119.08601	1.2
121.06496	3.7
127.03906	0.6
129.06990	1.1
130.06583	0.2
131.08572	0.6
131.58560	0.3
133.06487	17.9
133.10114	0.3
134.06851	0.3
135.04419	0.3
137.05977	2.9
141.06865	0.2
142.07790	1.6
145.06461	0.4
145.10141	0.3
147.04425	0.6
147.07991	0.5
147.11691	0.8
150.09145	0.3
151.03871	0.2
157.10124	13.8
160.08838	0.7
163.03867	0.2
175.11180	100.0
176.11519	1.6
216.25900	0.2
224.41095	0.2
254.28821	0.2
305.06558	0.2
341.22690	0.2
490.27695	0.2
503.42386	0.2
516.22632	0.3
534.23584	0.9
557.84375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09555	0.2
54.59673	0.2
55.01870	0.4
57.03436	0.3
59.09810	0.2
61.02923	0.6
65.03935	0.5
69.03432	0.7
71.04984	0.5
73.46059	0.3
79.05494	0.8
81.07059	1.2
85.02914	4.1
91.03934	0.4
91.05479	7.3
95.04935	0.5
97.02895	1.0
105.07029	2.4
109.02855	0.5
115.05421	0.5
117.07053	2.5
119.04167	0.5
119.04952	6.1
119.08591	1.1
121.06506	3.8
127.03910	0.7
129.07013	1.1
133.06496	19.5
133.10161	0.5
134.06805	0.4
134.88847	0.3
137.05994	3.0
142.07787	2.5
145.04942	1.8
145.06544	0.4
145.10089	0.2
147.08057	0.3
147.11630	0.5
151.78752	0.2
157.10132	14.9
158.10510	0.4
160.08881	1.2
160.11139	0.4
163.06036	1.1
173.09462	0.3
175.11191	100.0
176.11514	1.8
188.10735	0.3
260.16589	0.6
269.11713	0.4
287.15320	0.3
292.13577	0.8
318.71808	0.3
325.11261	1.0
370.53101	0.3
414.19043	0.4
535.21210	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	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.9
55.05526	0.3
56.96563	0.5
57.03437	1.1
61.02929	1.7
67.05506	1.3
68.05029	0.7
69.03432	5.9
69.98495	0.2
70.06593	0.9
70.62399	0.2
71.05002	2.4
73.02898	0.5
79.05482	1.0
80.05020	12.9
81.03423	1.9
81.07066	1.0
82.06586	1.3
83.04975	0.6
85.02909	11.7
85.06534	0.3
87.04477	1.0
89.03927	0.6
91.03978	0.4
91.05479	0.9
93.07041	1.0
94.06591	2.2
95.04969	7.6
95.07364	0.5
95.08602	0.5
96.08164	0.6
97.02898	3.7
97.06499	0.4
98.06075	0.7
99.04441	1.2
101.06059	0.3
103.03960	0.3
105.07027	0.5
106.06564	2.3
107.04939	0.6
107.08589	0.9
108.08112	0.8
109.02880	1.3
109.06564	0.6
109.10244	0.3
113.03481	0.6
115.03917	0.4
117.03361	1.7
119.08603	0.3
120.08098	2.5
121.06483	0.4
122.09692	0.5
123.04483	0.3
124.07623	0.3
125.09641	0.8
126.09163	0.3
127.03923	2.2
127.04823	0.4
127.07529	0.3
131.08549	0.4
132.08096	0.8
133.08879	0.3
133.10141	0.3
134.09671	0.6
135.04417	4.1
136.11211	0.8
136.55121	0.3
138.09151	6.4
139.42278	0.3
140.10709	0.6
145.02834	2.9
145.04950	1.6
146.09648	0.6
147.06793	0.4
147.08104	0.4
148.07596	3.0
148.11209	6.1
150.09145	0.9
151.07477	0.5
152.10681	0.3
153.09125	0.5
154.12276	1.0
155.06940	0.3
158.09676	0.5
160.07588	1.3
162.09067	0.4
162.12740	0.3
163.03909	29.6
164.04282	0.6
164.10727	0.8
166.08664	1.0
166.12274	23.4
167.12614	0.3
171.10281	0.4
172.07567	1.5
174.09158	0.8
174.12767	0.5
176.10701	1.2
177.09111	0.3
178.46854	0.3
182.15302	0.4
184.09663	1.5
184.13356	0.7
186.09114	0.3
186.12717	0.6
188.10542	0.5
188.14288	0.4
190.08665	0.3
193.07133	0.6
194.11749	0.5
195.06404	0.3
202.12277	1.0
204.13866	0.8
206.15439	2.7
214.12241	1.9
216.13918	0.6
220.13313	3.7
224.16452	10.6
232.13336	5.1
234.14906	1.4
236.12839	0.9
240.34932	0.3
244.13300	0.3
246.18517	0.3
248.16328	0.4
250.14392	5.4
252.15965	1.8
256.15082	0.4
256.17352	0.4
262.14462	0.5
264.19592	2.0
268.15433	1.2
270.16959	3.2
272.16470	1.2
280.15552	0.5
282.20630	0.9
284.18411	0.4
286.16629	0.9
290.17493	5.8
292.19110	0.9
298.08157	0.3
298.16489	0.4
308.18558	8.3
310.20129	1.8
318.17047	0.7
326.19604	16.5
327.20093	0.5
336.18060	5.0
344.20682	2.6
354.19113	3.7
355.10205	0.3
372.20166	100.0
373.20541	2.2
407.15118	0.3
438.12042	0.3
474.14322	0.7
534.16534	0.8
534.23438	1.4
552.17493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57436	0.2
54.04890	0.2
55.05503	0.6
56.05038	0.8
58.06607	0.4
60.08168	6.5
67.05499	0.7
69.41373	0.9
71.07378	3.1
79.05485	0.4
81.07036	0.5
83.04984	1.0
86.09710	31.1
91.05478	0.3
93.07046	0.4
98.98472	3.4
99.04374	0.2
100.07571	0.3
101.06020	0.4
104.10751	4.9
104.11458	0.2
111.04441	1.6
125.00010	20.6
143.01019	0.3
155.07045	2.2
173.08107	3.9
184.07346	100.0
185.07692	0.8
186.28812	0.2
245.57898	0.2
249.10878	0.6
250.11278	0.5
251.12833	0.3
258.11148	0.3
306.14130	0.2
516.30798	1.1
517.22815	2.6
527.71643	0.2
534.26385	2.2
534.31812	4.4
535.28271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32611	0.2
55.05513	0.3
56.05042	0.5
58.06611	0.5
60.08163	6.0
61.63757	0.2
62.62561	0.2
67.05525	0.3
69.07070	0.2
70.51024	0.4
71.07370	2.9
79.05502	0.5
81.03415	0.3
81.07055	0.8
82.48312	0.3
86.09708	27.9
87.10049	0.4
91.05458	0.4
93.07033	0.4
95.04942	0.3
95.08593	0.4
98.98473	3.3
104.10738	4.2
105.07014	0.3
106.89016	0.2
107.08596	0.4
109.10185	0.4
117.07018	0.2
119.08552	0.3
121.10139	0.2
125.00005	19.6
153.80215	0.2
154.03056	0.2
156.77493	0.2
157.10081	0.2
183.11714	0.2
184.07343	100.0
185.07681	0.7
251.12546	0.3
310.75763	0.3
363.75314	0.3
426.79276	0.3
474.26828	0.2
498.29752	0.8
516.30865	6.1
534.26801	1.1
535.28711	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.4
57.03423	4.6
57.07063	6.1
60.08152	5.3
60.73970	1.6
61.02920	7.7
65.03940	1.7
67.05502	65.5
69.06719	1.6
69.07065	23.4
69.16678	2.5
69.17073	9.6
71.07365	5.6
71.08615	6.4
79.05476	16.1
81.07053	80.1
83.08614	17.7
85.02887	3.7
85.06525	4.0
85.10168	3.4
86.09698	21.3
91.03938	2.7
91.05471	12.3
93.07043	22.0
95.08601	68.5
97.02896	1.7
97.06536	5.1
97.10185	10.3
99.08086	2.4
104.10737	100.0
105.07034	9.7
107.08578	15.0
109.10143	32.1
111.11714	3.6
116.70807	1.4
119.08579	11.5
121.10144	17.5
123.11693	18.3
124.99995	2.0
125.09668	2.2
127.11178	2.1
133.10097	13.5
135.11688	8.5
137.09596	3.4
137.13263	8.4
139.14827	1.6
141.12766	2.1
143.99872	1.7
147.11656	10.0
149.13232	8.7
151.11311	2.0
151.14798	6.3
153.12625	1.9
161.13246	15.2
163.14819	8.6
165.16389	7.4
175.14815	9.3
177.16312	1.7
177.79367	1.5
179.17940	6.7
184.07332	3.5
189.16391	3.7
194.13539	1.8
202.97438	1.5
203.17984	2.6
235.38416	1.8
245.22643	56.1
252.86969	1.7
263.23694	72.9
264.23929	3.2
337.27332	53.3
338.27682	2.2
355.28561	7.9
473.95679	1.6
475.22174	28.2
475.28702	2.9
499.31787	1.9
510.32693	1.5
534.28992	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	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79263	1.8
53.03934	2.1
55.05515	16.0
57.03436	5.0
57.07079	11.5
61.02928	5.9
65.03924	2.8
67.05504	79.0
69.03417	2.5
69.07068	22.5
71.08622	7.5
73.02939	2.2
79.05489	25.1
80.42872	2.1
81.03413	2.2
81.07056	92.7
83.08630	17.6
85.02893	7.1
85.06518	2.2
85.15791	1.6
86.09675	5.0
91.03938	3.3
91.05472	14.8
93.07049	24.7
95.08604	80.3
97.02859	4.0
97.06534	6.5
97.10156	10.1
99.08070	3.2
100.88682	1.9
104.10744	16.3
105.07008	11.6
107.08595	15.6
109.10158	39.7
111.08093	2.9
111.11715	2.5
113.09694	2.3
114.55765	1.8
119.08593	12.8
121.10147	21.8
123.11699	20.1
127.03940	2.6
133.10103	13.9
133.20370	1.7
135.11684	17.0
137.09535	2.2
137.13292	10.3
141.12700	4.1
145.04976	1.9
147.11682	12.5
149.13266	10.4
151.14804	8.0
155.14284	5.4
161.13295	14.6
163.14815	11.8
165.16437	9.5
175.14848	10.8
177.16438	3.3
179.17963	6.7
184.07349	2.2
188.92381	2.0
189.16316	4.2
195.00375	2.1
197.00804	2.6
213.95610	5.2
217.19513	2.4
226.93936	2.7
237.07559	2.6
245.22664	67.3
263.23691	100.0
264.23987	2.9
265.25250	2.3
281.25003	2.3
303.27203	2.3
337.27356	45.9
341.92166	2.2
342.37112	1.9
355.28384	4.6
371.25986	3.6
389.26581	2.7
407.28052	3.6
475.21729	3.0
491.18546	5.9
523.57611	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	534.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46646	1.2
55.05510	8.8
57.03432	10.4
57.07075	53.1
59.04993	1.6
67.05505	20.4
69.07070	13.7
69.88028	3.8
71.08624	6.5
79.05476	5.7
81.07055	19.0
81.07504	1.5
83.04984	1.6
83.08618	9.1
85.10167	1.3
87.04442	1.9
89.06042	5.2
91.05486	2.8
93.07038	3.4
95.08611	16.3
96.39316	1.1
97.10173	5.8
103.07568	2.3
104.07118	2.0
105.07066	1.8
107.08599	3.6
109.10133	14.3
111.08070	1.3
111.11724	2.6
119.08564	3.4
121.10155	2.7
123.11725	3.1
127.11189	22.6
127.12077	1.9
133.10161	2.1
135.11662	1.6
137.13309	2.4
141.12750	1.8
145.12228	4.3
149.13211	1.9
155.14348	1.9
161.13229	1.8
165.12654	1.2
201.14857	100.0
245.22681	2.4
256.26190	1.7
263.23672	3.7
299.25839	1.7
337.27261	6.5
341.57162	1.2
355.28403	25.0
373.29483	8.9
453.35577	2.8
463.37985	6.1
481.38882	27.0
499.39908	12.5
534.44360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03953	1.7
54.04655	0.2
55.01874	1.5
57.03434	1.0
61.02922	0.8
65.08559	0.2
68.99792	1.1
69.03067	0.4
69.03432	6.3
69.54111	0.4
69.54483	0.7
71.04987	0.6
73.02932	1.2
80.27654	0.2
81.03422	7.2
83.01341	0.3
85.02909	10.5
87.00835	4.7
91.03943	0.6
97.02892	3.5
99.04461	2.1
105.01871	2.6
105.03385	0.2
107.04976	0.3
109.02883	6.1
111.00797	0.4
117.01858	0.9
121.02883	1.9
127.03925	8.3
129.01828	0.9
133.02872	0.4
137.02370	0.7
145.04965	3.1
145.06166	0.3
147.02888	0.5
147.04404	0.5
153.01819	2.9
157.06525	0.3
159.02896	4.4
165.01784	1.4
165.28107	0.2
170.57005	0.2
177.03862	0.3
183.02888	0.4
185.05997	0.3
188.06822	0.2
213.05501	1.3
231.04724	1.0
234.85094	0.2
241.05026	0.8
258.05197	1.0
259.06061	0.4
287.05502	100.0
288.05771	2.0
329.06549	0.6
373.16559	0.2
492.38324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01870	2.4
57.03431	1.8
61.02922	1.5
68.99782	1.1
69.03430	10.9
69.18839	1.8
69.19267	1.7
71.04994	0.9
73.02914	1.9
81.03422	6.8
84.08138	0.8
85.02907	26.1
87.00832	9.1
97.02901	6.3
99.04446	3.3
101.02390	0.8
105.01869	7.1
109.02869	8.3
117.01905	0.9
127.03924	13.2
129.01891	1.0
141.07022	0.6
145.04987	4.9
147.02902	0.6
149.62788	0.5
158.07260	0.8
159.02924	3.7
165.06995	1.0
167.08557	1.4
169.06470	0.7
171.08086	2.2
173.05121	0.5
177.06984	0.5
178.07799	0.8
179.08598	1.6
183.08078	1.0
184.08856	0.7
194.07242	1.9
195.08057	7.0
196.08774	1.5
197.06010	1.6
197.09628	1.7
199.11201	1.8
207.08057	0.8
209.09625	4.6
210.06807	0.7
211.07541	1.5
212.08328	8.0
213.03975	0.7
213.09129	0.6
220.13396	4.3
221.06020	0.8
223.07538	2.8
224.08322	4.5
225.05429	0.9
225.09126	2.1
226.09918	3.0
227.07199	0.8
227.10663	18.1
229.08583	0.9
231.05046	2.5
237.09148	2.8
238.09908	2.2
239.07034	2.2
240.07813	10.0
241.08531	1.8
241.12198	4.1
247.07501	0.7
251.10670	2.1
253.08548	1.6
254.09425	3.1
255.10170	71.4
256.10901	4.0
257.08121	2.8
259.13358	0.8
262.09924	0.7
265.08551	0.8
267.10199	1.1
268.11172	0.7
269.11743	6.3
272.10428	7.4
277.08560	0.8
279.10168	2.3
280.10831	1.3
281.11768	1.0
287.12775	100.0
288.13144	2.1
293.11703	1.5
295.09677	1.0
296.10345	2.7
299.06107	1.2
307.13049	1.1
309.11282	1.1
310.12051	0.6
311.12784	16.4
313.10751	0.8
317.11615	0.6
321.11099	1.1
323.12970	0.9
325.14362	2.2
335.12952	0.7
346.12079	0.9
349.14240	1.2
353.13843	12.1
362.11420	0.8
377.13943	7.8
395.14899	7.2
432.75644	0.6
481.14520	1.0
506.31891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
59.73043	1.0
59.98000	1.0
60.39431	0.9
64.60840	1.0
67.02856	1.0
69.03460	1.3
70.06601	3.4
75.06076	1.1
81.07054	3.9
84.08138	2.8
86.09710	76.8
91.05492	2.4
93.07054	3.8
95.04980	1.8
103.05461	6.5
105.03394	2.7
105.07045	2.6
120.08109	74.6
131.04962	1.4
163.03888	1.5
167.05542	1.4
171.04349	1.3
175.11139	1.4
176.11569	1.1
186.05602	1.4
188.14340	1.2
202.04961	9.5
214.05014	10.8
220.13365	1.8
229.06082	100.0
231.07686	6.1
241.12308	1.4
251.20088	1.3
257.05481	1.3
269.11774	2.3
275.06622	31.4
291.80594	1.2
299.06189	2.4
344.16229	1.3
360.15616	11.7
388.15027	52.5
433.43250	1.0
490.19733	1.2
535.28113	11.1
537.17523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
57.03430	0.6
67.05516	1.2
67.51269	0.2
69.07084	0.3
71.04999	0.2
73.10777	0.2
75.09856	0.2
76.65987	0.2
79.05490	1.1
81.03411	1.8
81.07065	1.2
83.04968	0.7
83.08607	0.8
85.02907	2.0
85.06497	0.2
86.09724	0.4
91.05484	1.6
93.07046	0.7
95.04971	1.1
95.08623	0.5
97.06535	0.4
104.10751	0.3
105.07047	0.9
107.04955	0.3
107.08620	0.4
109.06550	0.2
111.08136	0.3
113.05982	0.2
119.08566	1.0
121.10159	0.5
125.00024	0.4
129.07021	0.5
131.08586	0.3
133.10164	0.4
147.11713	0.8
157.10153	0.7
175.11218	0.6
184.07323	1.7
185.07629	0.3
193.12256	0.7
211.13161	0.4
229.26186	0.2
251.12560	7.3
252.12868	0.3
285.17007	0.7
299.06210	0.3
307.15152	5.9
389.72235	0.2
408.46686	0.2
517.31488	0.3
535.28784	100.0
536.29181	5.5
561.52618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
67.05502	1.2
69.07072	0.4
73.04745	0.4
74.31325	0.2
79.05495	0.9
79.22190	0.2
81.03413	1.8
81.07062	1.3
83.04966	0.4
83.08611	0.9
85.02911	1.8
86.08728	0.2
86.09676	0.3
91.05485	0.9
93.07043	0.8
95.04956	1.2
95.08601	0.6
98.23492	0.6
101.35519	0.3
103.09089	0.3
105.07043	1.1
107.04942	0.4
107.08601	0.6
111.08102	0.3
119.08591	1.1
121.10159	0.6
129.07013	0.5
131.08574	0.5
133.10133	0.6
147.08162	0.3
147.11679	0.7
149.09587	0.3
157.10117	0.6
167.05559	0.5
175.11263	0.5
184.07394	0.6
193.12274	1.1
193.48157	0.3
203.31448	0.3
211.13290	0.7
229.30150	0.3
251.12540	11.5
252.12868	0.3
285.16803	0.5
287.05652	0.7
299.06198	1.3
307.15146	5.6
535.28760	100.0
536.29083	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	535.2881
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05509	0.3
57.03433	0.5
66.96563	0.3
67.05516	0.7
69.91778	0.6
79.05483	0.6
81.03407	2.0
81.07065	0.6
83.08620	0.5
84.32069	0.3
85.02904	1.0
91.05436	0.6
93.07016	0.7
95.04970	0.7
95.08629	0.7
104.10770	0.6
105.07016	0.5
109.06550	0.4
109.10200	0.3
111.08100	0.4
119.08620	0.6
121.10147	0.4
129.07051	0.3
130.18333	0.3
133.10152	0.6
147.11697	0.5
149.09627	0.3
167.05525	0.4
168.67444	0.3
175.11194	0.4
184.07329	0.5
185.07738	0.4
193.12334	0.4
233.11501	0.7
251.12512	3.7
287.05591	0.5
296.18048	0.3
299.06183	0.6
307.15164	3.1
517.28082	0.8
535.28772	100.0
536.29138	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	536.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01868	1.9
57.03423	1.0
61.02916	1.1
61.73155	0.3
67.96100	0.3
68.99780	0.5
69.03428	5.1
70.06589	0.4
70.20329	0.9
71.05009	0.6
73.02908	1.3
73.04754	1.0
81.03414	4.3
83.01344	0.4
83.04966	0.3
84.08162	0.5
85.02906	16.1
87.00828	5.7
91.03941	0.3
91.05788	1.0
97.02885	4.6
99.04459	2.1
103.03937	0.4
105.01862	5.5
108.04472	0.6
109.02884	4.7
111.04417	0.3
117.01850	0.8
120.86288	0.3
121.06483	0.6
126.05508	0.3
127.03916	10.4
127.04883	0.5
129.01834	0.9
142.98045	0.3
145.04971	5.0
147.02902	0.5
149.04454	0.3
151.07597	0.5
155.08525	0.5
159.02861	3.3
167.05539	1.8
167.08575	1.0
171.02878	0.4
178.07785	1.2
179.08569	0.7
183.11737	0.5
189.03905	0.9
193.10115	4.7
195.08102	0.8
196.08806	2.4
197.09622	0.6
206.07169	0.7
209.09573	0.6
210.10376	1.5
211.07767	0.3
211.11169	5.5
213.03909	0.4
213.09129	0.6
220.13287	0.8
221.09564	2.1
222.10376	0.8
223.07704	0.5
223.11206	0.7
224.08357	3.1
225.04239	0.3
225.09093	1.2
225.12709	5.1
231.05005	2.7
235.11224	0.3
236.11897	0.5
237.09068	0.9
238.09892	4.6
239.10666	17.3
240.11424	8.2
241.08604	1.9
243.13872	0.9
248.07744	0.7
249.09201	0.3
251.07053	1.3
251.10721	0.7
252.11441	1.0
253.12241	8.0
254.09340	0.4
254.12917	0.4
255.10060	0.9
256.10938	11.1
263.10587	0.9
264.11508	0.7
265.08588	1.9
265.12189	0.6
266.09323	1.1
266.99866	0.3
267.13861	0.9
269.11743	2.0
271.13281	100.0
272.13568	1.9
279.10526	0.4
279.13712	0.3
280.10947	2.9
281.11722	22.2
283.02899	0.5
295.13278	9.1
299.06253	3.1
307.13345	0.7
313.14392	2.9
319.13260	0.5
321.24286	0.4
323.12894	0.3
325.14224	0.4
333.14972	0.5
337.14322	2.9
344.97888	0.6
361.14273	1.7
379.15424	1.7
397.16342	0.8
431.83484	0.3
454.18518	0.3
483.16379	1.3
501.17383	1.2
536.19000	0.4
536.27130	0.5
536.35925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72853	0.4
53.03938	1.1
55.01868	1.2
57.03426	0.9
58.00556	0.3
61.02923	0.8
67.05503	0.8
68.99802	0.4
69.03068	0.4
69.03431	6.7
69.59584	0.9
69.59972	0.6
71.04974	0.8
73.02909	0.9
73.04755	1.0
79.05473	0.5
79.19072	0.3
81.03413	3.0
81.07059	1.7
85.02907	15.3
87.00828	4.9
91.05785	1.2
93.07023	0.7
95.04939	0.3
95.08602	1.1
97.02898	4.1
99.04459	2.2
103.03938	0.5
105.01866	4.8
107.08598	0.9
109.02882	3.7
109.10173	0.5
116.55418	0.4
116.59556	0.3
119.08613	0.6
121.10152	1.1
123.11707	2.0
125.09610	0.6
127.03917	9.4
129.01791	0.7
139.11206	0.4
145.04955	4.4
147.02849	0.7
147.11678	0.5
151.07486	0.4
155.08501	0.7
159.02911	2.7
167.05542	1.1
178.07780	0.9
181.06473	0.8
183.11801	0.7
189.04010	0.7
193.10136	4.2
195.08052	0.8
196.08774	3.4
197.09641	0.6
206.07288	0.5
209.09630	0.5
210.10374	1.1
211.07819	0.5
211.11179	7.5
211.14331	0.4
221.09601	2.9
222.10394	0.7
223.07578	0.5
223.11200	0.9
224.08324	5.0
225.04271	0.4
225.09097	1.6
225.12790	2.6
228.11336	0.6
231.04993	2.3
235.11165	0.8
237.09079	0.9
238.09895	3.9
239.10681	28.2
240.11455	14.7
240.13451	0.3
241.08632	2.1
241.11964	0.5
244.99684	0.3
249.06165	0.3
251.16507	0.8
253.12231	5.5
254.12766	0.7
255.10158	1.4
256.10941	12.7
263.10681	1.3
264.11374	0.6
265.12189	0.4
266.99789	0.4
267.13809	0.4
269.11792	1.9
271.13290	100.0
272.13684	2.3
277.12268	0.4
280.10934	0.6
281.11679	0.9
283.03162	0.5
285.22113	0.6
295.13287	7.6
299.06216	2.7
303.23221	1.8
313.14310	5.5
321.24298	1.3
323.00073	0.4
337.14355	4.2
361.14307	1.7
379.15463	2.9
465.15671	0.4
483.16031	0.6
536.27002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.01835	0.4
55.05484	0.3
56.05012	0.2
57.03400	0.4
57.07037	0.2
67.05468	0.5
68.04989	0.2
69.03431	2.5
69.07024	0.4
69.75967	0.5
70.06556	0.4
73.04723	0.2
77.03885	0.2
79.05492	0.9
80.04974	0.3
81.03384	0.3
81.07059	0.9
82.06541	0.3
83.01342	4.5
83.04955	0.3
83.07358	0.7
84.08092	0.2
85.02914	1.5
86.06026	0.5
87.04403	0.1
91.05448	1.1
93.07051	1.1
94.06538	0.3
95.04971	0.8
95.08562	0.4
96.08133	2.8
97.02834	0.5
98.06017	0.2
98.09633	0.4
100.11230	0.4
103.05492	0.2
105.04460	0.2
105.07029	1.1
106.06523	0.3
107.04915	0.4
107.08588	0.7
108.08076	0.3
109.02840	0.3
109.06476	0.4
109.10109	0.3
110.09631	0.3
111.07990	0.2
112.11205	0.2
113.02337	0.2
117.06964	0.5
119.08553	0.8
120.08123	1.1
121.06446	0.6
121.08872	0.2
121.10103	0.4
122.09634	0.5
123.04401	0.5
123.08005	0.2
124.11172	0.2
126.09118	0.2
126.12771	0.3
127.03847	0.4
128.10672	0.5
129.06952	0.3
131.08496	0.6
132.08052	0.4
133.06451	0.2
133.10112	0.3
134.09610	0.6
135.04352	0.4
135.08003	0.7
135.09128	1.7
136.07529	0.2
136.11186	1.7
137.05905	0.3
137.09593	0.2
138.09097	0.2
138.12778	8.0
139.13042	0.2
141.01781	0.7
141.05434	0.2
145.04904	0.3
145.06470	0.4
145.10013	0.2
146.09613	0.5
147.04341	0.2
147.08000	0.4
147.11526	0.1
148.07526	0.4
148.11200	0.4
149.08434	0.2
149.09612	1.5
150.09116	0.3
151.03900	0.8
151.07478	0.3
152.10706	1.3
153.05469	0.4
154.12219	0.4
158.09604	0.2
159.08017	0.8
159.11659	0.4
160.11115	0.3
161.05963	0.2
161.09569	0.5
161.13255	0.3
162.09138	1.0
162.12749	0.8
163.07513	0.3
163.09904	0.3
164.10646	0.6
164.14314	0.3
165.05511	0.3
166.12238	0.8
167.05481	0.2
169.04935	0.5
169.10060	0.2
172.11232	0.2
173.09634	0.3
175.07576	1.7
175.11249	0.2
176.10645	0.3
176.14365	2.4
177.09149	1.1
177.12744	0.2
177.15205	0.3
178.15921	0.9
179.07086	0.2
180.13768	0.2
181.04897	0.6
185.09532	0.2
186.12703	0.3
187.07568	0.7
187.11131	0.6
188.14320	1.0
189.09045	0.2
189.12729	0.2
190.12209	0.6
190.15842	0.2
191.07039	0.2
192.13753	0.2
193.04930	0.3
193.08554	0.3
195.06538	0.2
197.09595	0.3
201.12840	0.2
203.07053	0.3
204.06648	0.2
204.13837	2.4
204.17325	0.3
205.08560	0.3
205.14606	0.9
206.15413	1.8
206.19041	0.3
207.06506	0.6
215.10631	0.6
216.17436	0.2
217.08514	0.2
217.12050	0.2
218.18962	0.2
219.06465	0.4
219.10065	0.2
221.08125	0.3
225.09132	0.2
229.08571	0.2
231.06400	0.1
231.10175	0.2
232.13313	0.2
232.16934	0.7
233.08061	0.3
234.18517	0.9
242.15425	0.2
243.10120	0.3
244.17043	0.2
246.18527	0.2
247.09636	0.2
247.13219	0.3
249.07619	1.4
253.08633	0.3
256.16919	0.2
259.09796	0.8
260.16449	0.6
261.11227	7.0
262.18057	0.3
271.09595	1.5
272.16357	0.2
278.13760	0.1
290.17575	0.3
299.06229	0.6
300.15823	0.2
302.21204	0.4
309.14670	0.2
312.13406	0.3
312.19690	0.2
313.14334	0.2
313.57843	0.1
318.17130	0.2
318.20541	0.2
327.15909	0.7
328.19235	0.5
330.56775	0.2
344.18539	0.5
344.97302	0.1
346.20102	3.3
356.18530	0.7
367.31647	0.1
372.17950	0.3
374.19611	100.0
375.19919	3.3
390.22601	0.2
415.03558	0.2
518.28088	0.2
536.24890	87.5
537.25195	2.9
537.32404	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	536.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.6
61.02925	1.9
62.54063	0.5
67.05496	0.7
69.03432	7.8
70.06587	0.8
71.04980	1.7
73.02901	1.5
73.04746	1.4
80.05007	1.5
80.53092	0.5
81.03436	2.6
81.07051	0.7
83.05007	0.6
85.02909	12.2
85.06580	0.6
87.04473	1.5
91.03930	0.7
91.05802	0.9
94.06583	1.2
95.04967	12.8
97.02898	4.4
97.06560	0.6
99.04469	1.5
105.07044	0.7
109.02901	1.4
109.10193	0.8
113.03492	2.3
115.03933	1.2
117.03372	2.0
120.08163	2.4
127.03916	2.8
131.08641	0.6
134.09705	0.7
136.07613	1.1
137.09679	0.7
138.09154	0.6
145.02852	6.6
145.04950	1.8
145.59224	0.6
148.07579	2.3
148.11185	1.1
149.06001	0.9
150.09180	0.7
160.11223	1.6
161.09589	0.6
162.09123	1.8
164.10658	0.6
166.12332	0.6
167.05573	2.3
174.09158	1.6
176.10715	0.6
177.05481	16.2
178.12265	7.8
186.12729	0.6
188.10774	0.8
188.14372	1.2
194.15489	0.8
200.10658	0.6
204.14009	0.8
206.15402	2.1
216.13821	4.0
222.14919	4.6
226.58704	0.7
228.10191	0.7
234.14891	30.3
235.15326	0.8
236.16489	1.6
240.15901	0.8
246.14946	0.6
250.18095	0.8
252.15967	7.6
258.18375	0.6
264.19601	0.7
268.19205	0.7
270.17108	1.3
274.18039	4.9
284.16409	1.5
292.19064	13.9
299.06186	3.8
302.17429	2.2
310.20135	18.5
320.18484	4.5
328.21133	2.1
338.19598	11.4
356.20670	100.0
357.20966	1.4
366.10785	0.9
374.21732	4.2
415.03558	0.8
425.19055	0.6
518.25940	6.9
536.24561	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	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09492	2.0
51.32742	2.0
53.03940	12.3
55.01871	10.8
55.05515	4.6
57.03438	6.2
57.07097	10.4
58.62313	2.1
59.04979	3.1
61.02925	12.4
67.05498	9.4
68.99775	2.4
69.03432	83.4
69.07069	14.9
70.61487	2.7
70.61797	2.4
71.05007	11.6
71.08636	37.0
73.04748	6.2
79.05495	6.9
81.03423	28.8
81.07067	15.1
83.01352	2.6
83.04978	6.5
83.08627	3.2
85.02909	31.3
85.06532	10.6
86.09680	2.3
91.03983	10.4
91.05385	4.5
91.05840	5.5
93.07040	23.8
95.04967	10.3
95.08622	12.4
97.02893	63.1
97.06528	16.7
99.04447	18.3
99.08096	77.6
99.77596	2.9
105.07040	7.0
107.08576	6.9
109.02885	94.8
109.06545	4.0
109.10149	7.3
111.04442	8.3
111.08049	2.6
115.03925	8.6
119.04913	2.8
119.08574	7.8
120.08124	3.8
121.06555	3.0
121.10162	11.4
123.08033	3.4
123.11707	4.9
125.05976	3.0
127.03921	81.3
127.04874	3.9
129.05476	100.0
129.12758	8.7
131.08566	3.4
131.45018	2.0
133.06491	7.8
133.10101	3.0
134.09657	3.7
135.08081	2.1
135.11702	4.8
137.13234	4.4
139.03876	13.1
139.11200	2.4
145.04950	48.5
145.10072	2.7
147.11751	2.1
149.04482	3.7
149.09608	2.2
150.09090	3.0
151.11104	2.3
153.12775	2.8
155.08577	8.9
155.14299	4.6
157.04965	9.1
157.10144	2.0
159.11719	3.4
160.11220	6.0
162.09236	2.0
163.11145	2.1
167.05528	11.8
167.10699	5.0
171.06529	2.8
171.46906	2.3
173.15381	61.8
174.12903	2.1
175.14618	2.3
183.06459	2.5
185.04445	46.9
188.10753	13.7
189.09200	2.4
190.99715	2.1
191.07062	4.3
199.13303	4.2
201.16473	2.3
203.05495	28.4
215.06676	2.3
215.10786	2.1
227.50804	2.6
242.65883	2.2
243.10344	2.9
245.06604	3.2
258.14896	3.2
260.16483	8.6
266.99954	3.7
267.10217	2.5
272.16486	4.2
273.17203	2.8
274.14343	4.4
275.07657	6.0
283.02927	2.8
283.08212	5.6
285.22247	3.7
287.12762	4.5
299.06189	23.9
303.23251	9.5
311.07629	23.3
316.15530	10.2
321.24213	20.7
329.08676	67.2
339.25317	5.3
344.97714	4.8
355.15283	4.2
356.18521	5.9
372.17822	4.0
373.16452	3.5
386.19778	2.6
400.17615	2.3
404.20477	4.8
414.19104	5.8
415.03253	5.5
445.60730	2.2
536.19427	90.2
536.27484	5.2
537.19312	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	536.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58528	0.5
64.08023	0.5
68.05003	0.9
69.03433	1.2
69.07060	1.4
70.06590	100.0
71.04982	0.7
72.08152	0.7
73.04749	3.1
76.07450	0.5
76.55013	0.5
84.08151	0.6
85.02902	2.3
86.06075	1.2
86.09705	17.9
91.05814	3.9
95.04972	0.7
97.02908	1.0
98.06049	21.3
110.07204	0.7
126.05506	17.8
127.03910	1.1
132.06561	9.8
133.45645	0.5
145.04866	0.7
149.04529	0.8
167.05588	4.6
167.11790	3.7
168.10194	0.7
177.05508	0.9
177.09221	1.0
183.14920	7.2
195.11293	8.6
211.14403	7.7
225.04379	1.3
229.11826	31.3
234.14977	1.6
239.09572	1.0
252.15924	0.9
266.99982	1.1
281.05099	0.8
283.03091	1.1
299.06146	9.8
300.05814	0.7
308.19543	2.9
326.17081	43.8
327.17380	0.7
344.97629	2.7
356.20673	6.3
359.02841	0.7
374.21716	0.9
415.03760	2.0
423.22406	21.7
424.22540	0.6
503.10876	1.0
518.26074	0.7
536.19757	1.4
536.31396	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	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.5
56.75708	0.2
58.06627	0.6
59.07388	0.2
60.08164	6.1
67.05514	0.5
69.94799	0.6
69.95161	0.2
71.07374	3.2
73.04761	1.2
79.05532	0.2
81.07068	0.5
86.09706	27.5
87.10059	0.3
91.05807	1.6
95.08616	0.4
98.98467	2.7
104.10738	3.3
105.07054	0.3
111.93958	0.2
125.00005	19.2
133.99742	0.2
149.04494	0.5
167.05598	1.6
184.07341	100.0
185.07681	0.7
225.04384	0.3
239.09572	0.4
243.51276	0.2
266.99942	0.6
283.02979	0.6
299.06161	3.3
300.06195	0.2
327.13602	0.2
336.32626	0.3
344.97614	0.8
359.02707	0.4
384.42719	0.2
415.03693	0.9
416.03842	0.2
495.41876	0.2
500.31305	1.2
518.32434	6.8
563.71301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50264	0.4
53.64487	0.3
55.05510	0.4
56.05025	0.4
57.03421	0.4
57.42361	0.4
58.06604	0.5
60.08165	7.7
67.05487	0.6
70.19357	0.4
71.07383	3.4
73.04767	1.8
81.07024	0.4
84.08096	0.4
86.09709	36.3
91.05817	2.8
98.23442	0.8
98.98461	3.7
101.59604	0.3
104.10741	5.4
114.07407	0.5
125.00010	22.7
135.08083	0.6
149.04538	0.7
158.41522	0.4
167.05574	2.9
184.07346	100.0
185.07756	0.7
187.14900	0.3
225.04340	0.5
239.09598	0.7
255.10365	0.4
258.11020	0.8
266.99869	0.8
281.05093	0.8
281.11545	0.4
283.03052	1.2
299.06210	6.1
339.48492	0.4
344.97610	1.6
359.02835	0.7
415.03519	1.6
503.11130	0.8
518.32635	2.4
536.33447	10.3
537.22388	1.0
537.30396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05037	0.7
57.03428	0.2
58.06636	0.5
60.08162	6.2
60.08470	0.3
65.58473	0.1
67.05501	0.2
69.07076	0.5
70.08925	0.1
71.07375	2.7
73.04752	0.2
81.07043	0.3
83.08625	0.3
86.09705	30.2
87.10060	0.3
93.07037	0.2
95.08618	0.3
98.98457	3.0
104.10737	2.8
125.00002	21.9
143.01115	0.2
167.05493	0.2
170.23851	0.1
184.07338	100.0
185.07715	0.9
204.24138	0.1
258.10812	0.2
299.06168	0.5
353.30243	0.3
518.36145	1.1
536.37213	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.05515	32.5
57.03441	9.4
57.06821	1.5
57.07081	20.5
60.08162	3.0
61.02921	4.8
65.03949	1.4
67.05163	2.8
67.05507	40.9
69.07072	54.2
69.77970	4.7
71.04977	3.8
71.07362	1.7
71.08332	1.2
71.08646	11.3
73.02895	2.0
73.04750	4.2
75.04472	1.8
79.05489	20.0
81.07062	45.6
83.08627	39.3
85.02896	6.2
85.06575	2.1
85.10172	6.5
85.52361	1.3
86.09717	7.9
88.68904	1.3
91.03942	1.9
91.05813	3.2
93.07046	27.2
95.04942	1.3
95.08021	2.8
95.08613	47.6
97.02891	3.7
97.06536	9.7
97.09599	2.2
97.10181	27.5
97.10817	2.2
99.08083	2.8
104.10754	12.3
105.07033	1.8
107.07928	1.9
107.08603	21.0
109.10162	22.3
111.08089	4.8
111.11720	10.6
111.24277	1.3
115.07635	1.3
121.09274	2.1
121.10149	40.5
123.11720	8.5
125.00024	3.6
125.09595	3.3
125.13276	1.9
129.09143	1.3
135.11694	36.7
137.13258	4.4
139.11215	3.3
149.13246	15.0
151.14821	5.3
153.12727	2.0
157.15964	1.5
163.14796	6.4
165.16406	3.0
167.05507	6.4
167.14276	1.8
177.16399	3.8
177.99347	1.5
184.07312	10.9
247.21638	2.8
247.24202	42.1
265.25278	100.0
266.99838	1.4
274.42490	1.5
283.02954	1.9
283.26337	15.7
299.06207	9.4
300.06439	2.2
307.13934	1.5
339.28934	93.9
340.29291	2.6
344.97589	2.4
357.29935	29.1
409.29446	1.7
415.03848	1.5
420.98795	1.4
501.34113	2.8
536.36938	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	536.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05513	35.9
57.03435	3.8
57.07086	22.9
61.02917	6.5
67.05511	51.0
69.03417	4.2
69.06709	4.6
69.07075	57.2
71.05006	4.1
71.08638	12.2
73.04752	11.4
79.05492	26.3
81.07059	63.4
83.08622	56.4
85.02890	7.7
85.06532	5.0
85.10197	6.6
86.09700	12.6
91.03976	4.9
91.05800	10.3
93.07063	28.4
95.08611	65.6
97.06551	9.2
97.10170	33.6
100.51123	2.9
104.10744	9.3
105.07021	6.3
107.08585	21.5
109.10166	27.0
109.30950	3.0
111.08069	6.7
111.11726	11.6
121.10146	56.7
123.11723	12.5
125.00046	7.2
135.08051	8.6
135.11700	45.2
136.42131	2.9
137.13229	6.1
139.11166	4.4
149.04446	3.4
149.13289	14.0
151.14787	3.3
163.14836	4.5
165.16449	3.1
167.05573	19.0
177.16423	5.8
184.07364	35.8
210.09698	3.4
225.04385	5.7
239.09412	3.5
247.24202	43.6
265.25290	100.0
266.99774	4.4
281.05200	3.8
283.03067	7.3
283.26367	17.9
299.06168	41.9
339.28952	89.5
344.97632	7.1
357.29962	34.7
373.27304	4.1
409.29437	7.5
415.03604	5.9
501.91617	3.1
536.37445	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	536.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
57.03428	2.9
57.07083	8.9
67.05508	11.7
69.07068	11.0
69.74891	6.7
71.08621	6.2
73.04748	4.9
79.05529	2.5
81.07056	17.3
83.08613	9.8
85.10182	3.5
86.09724	3.4
91.05833	8.0
93.07029	3.8
95.08606	15.7
97.06504	2.6
97.10184	8.4
104.10738	10.6
105.11107	2.3
105.56451	1.6
106.83565	1.7
107.08596	3.2
109.10197	9.1
111.08102	3.7
121.10161	8.6
123.11700	3.7
124.54617	1.7
133.10135	2.6
135.11694	5.4
139.11186	2.9
149.04532	3.6
149.13239	2.8
167.05563	10.0
223.06241	2.1
239.44164	1.6
266.99979	2.7
283.03067	2.6
293.28397	3.0
299.06183	30.1
300.06158	1.8
321.27902	1.8
344.97742	5.5
357.30008	18.7
359.02704	2.2
395.31555	26.3
413.32663	24.4
415.03824	3.5
469.35168	13.9
477.22589	2.5
487.36295	100.0
488.36816	3.5
503.09982	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	536.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01867	1.6
55.05513	16.4
57.03442	9.3
57.07079	18.7
59.52956	0.8
67.05505	21.7
67.05868	1.2
67.08343	0.8
69.07068	26.4
69.18588	1.3
69.18988	3.9
71.05016	1.1
71.08629	13.3
73.04758	2.9
75.04483	1.5
78.29643	0.8
79.05494	8.6
81.07056	27.8
83.04993	1.4
83.08623	19.8
85.06528	1.3
85.10197	8.2
86.09690	1.0
91.05863	3.6
93.07046	11.6
95.08609	28.4
95.09222	1.6
97.06545	6.0
97.10175	14.6
97.10755	1.4
97.27209	0.7
99.08088	0.9
101.05987	0.7
105.07051	0.8
107.08601	7.7
109.10152	15.8
111.08090	4.1
111.11722	4.6
121.10140	13.5
123.11701	7.1
125.09668	3.7
125.13296	1.4
129.09125	0.9
131.07019	1.3
133.10214	1.1
135.11687	10.6
137.13268	1.9
137.51167	0.8
139.11200	3.1
147.11678	1.1
149.04439	0.8
149.13251	7.5
153.12769	2.9
161.13359	0.8
163.14851	3.5
167.05533	5.7
167.14388	2.2
177.16394	2.8
181.15858	1.1
183.47713	0.7
184.07321	2.8
193.25986	0.8
195.17445	1.7
203.17964	0.8
205.19594	1.2
208.88127	0.7
219.17499	1.6
220.17863	1.0
225.04381	1.6
228.73032	0.8
257.26541	0.8
266.99936	1.5
283.03204	2.3
289.28918	2.3
299.06146	10.4
307.29993	1.5
317.28455	1.6
335.29614	4.6
335.33078	0.9
344.97742	1.4
371.31558	22.5
372.32379	1.0
409.33139	18.3
410.33649	1.0
415.03549	1.5
417.78726	0.8
427.34235	22.7
427.80588	0.8
483.30185	1.5
483.36813	20.3
501.37851	100.0
502.38171	4.1
503.10724	1.1
505.90939	0.8
536.45471	2.6
536.53381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.3
57.03444	8.8
57.07075	23.7
67.05498	25.5
69.03425	1.7
69.07068	35.2
69.07447	1.7
71.04976	1.4
71.08628	19.4
71.10812	1.7
71.22491	1.2
73.04759	4.0
73.06578	1.9
75.04475	1.9
79.05502	9.7
81.07056	38.5
83.04965	3.0
83.08616	26.7
85.10185	9.4
91.05831	6.7
93.07047	13.2
95.08603	37.2
97.06545	8.2
97.10165	18.4
104.10732	2.6
107.08608	10.2
109.10152	21.0
111.08074	4.6
111.11723	5.9
114.07418	1.5
115.07547	1.8
119.08582	1.2
120.33914	1.3
121.10152	17.5
123.11736	6.9
125.09646	5.6
125.13276	2.0
129.09113	1.3
135.11687	12.4
137.13293	2.3
138.18793	1.3
139.11189	5.6
149.04559	2.0
149.13248	8.7
153.12686	3.2
163.14847	3.8
167.05579	6.8
167.14314	3.0
177.16360	2.4
184.07327	1.5
191.17920	1.9
225.04352	1.9
269.90131	1.3
283.03174	2.3
299.06155	14.1
307.29965	3.6
317.28342	4.3
335.29401	4.1
344.97696	2.5
359.02563	1.7
371.31522	20.5
409.33105	62.3
410.33185	1.7
415.03714	2.5
425.53891	1.5
427.34198	40.6
483.36871	11.8
501.37839	100.0
502.38297	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	536.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.5
57.03449	7.1
57.07076	9.2
59.70985	4.5
67.05493	6.2
69.07071	11.9
70.52792	9.3
73.04749	21.2
79.05489	6.3
81.07059	15.5
83.08607	13.5
86.09698	7.2
91.05807	49.0
95.08609	11.4
97.10184	7.8
104.10759	9.5
107.08652	5.1
108.43011	4.8
120.16899	4.9
121.10136	7.3
134.48662	6.0
149.04543	8.4
164.81715	5.3
167.05547	47.1
225.04372	9.1
239.09546	5.7
266.99933	6.5
283.03064	17.9
299.06146	91.6
300.06299	10.6
322.67188	6.1
343.28433	22.5
344.97604	19.5
359.02933	11.6
381.29999	22.2
399.31079	23.6
415.03522	18.8
416.94034	5.1
455.33725	14.8
462.27716	6.6
473.34744	100.0
474.34848	5.6
503.10071	6.2
518.29382	6.8
536.34534	7.6
537.19434	6.5
537.30182	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	536.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	14.0
57.83462	5.4
67.05513	8.7
69.21697	15.7
69.22106	17.4
71.08629	9.0
73.04760	19.9
81.07059	8.3
83.08630	9.9
91.05791	31.0
91.23096	7.0
95.08584	7.6
96.34260	5.4
97.10149	7.0
98.22670	10.5
109.10123	6.6
114.07362	7.1
144.71576	5.5
167.05557	49.9
175.95819	5.5
203.26579	6.9
239.09457	10.1
255.73517	7.0
266.99963	11.6
283.03159	11.2
299.06213	100.0
300.06204	11.7
343.28311	17.2
344.97781	7.5
359.02872	10.7
381.29901	30.8
388.25369	6.7
399.30951	21.1
415.03531	17.9
444.27655	16.6
462.27902	19.9
473.34686	97.5
503.11115	6.1
535.71149	6.0
536.30908	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	537.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77644	0.8
51.22270	0.7
53.03935	1.6
55.01854	1.4
55.05510	0.7
57.03428	1.4
61.02939	0.7
65.03933	5.6
67.05495	1.7
67.82834	0.8
69.03424	4.6
69.07066	1.0
70.06580	1.7
70.52434	0.7
71.04975	1.8
73.04735	0.8
79.05484	2.1
80.05014	0.9
81.03418	4.9
81.07069	4.7
84.08150	1.2
85.02905	11.0
85.06550	1.5
86.03237	1.0
87.00809	0.7
87.04456	1.9
89.03877	1.1
91.05397	0.9
92.05003	1.6
93.07047	5.5
94.06551	3.3
95.04954	2.1
95.07341	2.0
95.08611	3.3
96.08137	3.5
97.02905	3.5
97.06522	1.7
99.04425	2.0
105.07005	1.1
107.08591	2.1
108.08109	7.9
108.80184	0.7
109.02876	1.5
109.06567	0.8
109.10147	2.9
110.09676	7.0
111.08019	1.3
112.09222	0.6
115.03927	4.6
116.04244	1.1
116.04956	2.6
119.08552	1.1
119.81667	0.7
120.04434	5.4
120.08102	5.0
121.10175	3.7
122.06047	4.9
123.08041	0.9
123.11703	2.2
124.07590	0.9
125.09559	0.7
127.03886	3.2
128.06152	0.7
129.07018	0.9
133.04985	1.4
135.11748	0.9
136.07581	8.2
136.11200	1.6
137.05995	5.0
137.09645	1.2
138.09138	7.1
139.11220	0.9
141.09087	0.8
144.04446	8.4
145.04955	1.7
146.06027	1.3
147.11674	0.9
148.03929	96.4
148.07593	2.3
149.04340	1.1
149.09673	0.8
151.03915	3.2
151.07603	0.9
151.11122	1.2
154.08574	2.0
157.12248	0.9
159.11694	0.8
162.05516	6.4
163.06044	0.9
165.05338	0.9
166.05013	18.0
166.08633	20.2
167.07104	0.7
172.03931	44.4
173.04256	1.0
177.16403	1.6
181.04924	1.7
182.09653	0.8
190.04990	10.4
199.12363	0.8
204.06563	100.0
205.06807	1.8
205.08620	1.5
211.16745	0.8
222.07677	2.1
227.11775	2.3
235.16913	1.3
236.09709	0.8
253.18024	1.1
255.11319	15.0
273.12354	17.1
277.09103	1.6
278.09601	1.2
283.10794	15.1
299.06058	1.0
300.06354	1.0
301.11810	64.0
302.11978	1.7
303.23105	1.6
319.12839	2.6
321.24170	1.9
325.11880	2.5
329.14825	1.6
334.09378	1.5
339.13272	2.3
339.25101	0.9
343.12891	54.9
344.13242	1.1
345.08469	0.7
357.14429	20.5
375.15546	5.1
416.20578	2.1
447.16046	1.1
487.17380	0.8
501.19016	0.9
519.19452	0.9
537.23456	1.4
537.29999	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	537.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31982	0.5
53.03916	1.0
61.01117	1.5
68.05041	3.7
69.52359	1.8
73.04736	0.9
79.05469	1.2
82.06548	1.3
84.08109	1.4
93.07003	0.7
94.06528	1.6
95.08567	2.9
96.08130	3.8
98.23398	1.0
99.03922	0.8
99.04455	9.0
102.83144	0.7
104.64175	0.6
104.79832	0.7
106.06560	0.7
108.08080	2.7
109.08839	2.2
110.09631	1.9
120.08112	4.4
121.08845	2.8
122.09673	6.5
125.05958	0.8
127.03911	23.7
129.09108	0.6
132.08034	1.3
133.08810	0.9
134.08870	0.6
134.09657	6.0
135.10387	2.8
136.11145	1.9
138.03705	2.2
139.04518	1.3
140.05304	3.9
141.06039	1.6
145.03165	0.7
146.09647	1.4
147.10396	2.1
148.07587	0.6
148.10089	1.0
148.11214	17.3
149.04344	1.2
152.05293	23.0
153.06073	4.1
157.08812	0.7
164.05203	0.7
164.10687	1.5
166.06879	15.4
167.05515	1.2
167.07098	1.0
172.11195	1.0
174.12762	3.3
179.07608	2.4
180.08430	7.4
180.10010	1.0
181.09204	25.7
182.11717	1.6
186.12897	0.6
192.10185	0.9
196.04288	0.7
200.12865	3.5
202.12225	0.8
204.13834	1.8
226.14377	3.0
230.09857	1.4
234.14941	3.2
236.07312	0.8
242.11470	0.9
248.12839	3.5
249.14185	4.1
250.14380	1.5
252.15953	30.4
253.16309	1.1
264.14209	3.3
268.10049	4.0
274.14407	2.3
276.10541	17.7
276.13580	0.9
290.12009	1.8
299.06259	1.3
300.06543	1.3
308.13129	100.0
309.13559	3.4
345.26389	0.7
347.18451	0.6
352.12253	2.0
365.18851	8.3
366.19470	0.8
416.20462	1.6
435.59412	0.6
447.24780	3.8
475.22665	1.5
493.23672	49.9
494.24109	2.2
519.21387	1.1
537.22656	55.3
538.23071	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	0.8
54.78482	0.7
55.01912	1.9
55.05553	1.0
56.05061	1.0
67.05546	1.2
68.05087	0.9
69.03431	4.3
69.30329	1.5
69.30737	1.9
70.06615	1.6
71.05035	1.6
73.04799	0.7
79.05553	1.6
80.05077	2.8
81.03435	0.6
81.07118	2.2
82.06577	5.2
83.01398	1.5
84.08147	7.4
86.09738	0.7
91.05553	2.0
93.07103	2.2
94.06575	4.7
95.05032	1.1
96.08201	1.7
99.04464	9.0
105.07106	2.0
106.06594	1.5
109.06590	1.1
110.09694	0.8
111.08101	3.9
112.07647	0.9
119.08630	1.1
120.08212	1.9
121.06609	1.9
122.09692	3.4
123.08143	0.8
124.11286	1.4
125.06070	2.4
125.09672	1.3
127.03916	17.9
129.10327	1.0
130.45981	0.6
132.08134	0.9
133.06517	0.8
133.61572	0.6
134.09746	2.7
136.11290	1.2
137.06049	1.4
138.12845	0.7
144.36679	0.7
145.10196	0.9
146.09703	1.7
147.08055	0.8
150.09196	3.9
152.10709	6.0
154.12390	1.5
158.09798	0.9
160.11253	1.5
161.05974	0.8
162.09282	0.9
162.12813	6.0
165.09235	0.9
167.07043	0.8
168.10266	1.7
171.08101	1.2
173.09666	0.8
174.12801	0.8
175.07648	0.6
180.10191	30.1
182.11768	33.1
186.12805	1.2
188.14453	2.0
190.12305	3.7
204.13936	0.9
205.12407	0.7
206.11888	1.8
214.12457	0.9
216.70084	0.8
228.13977	0.7
229.91252	0.7
231.10320	0.9
232.13466	2.8
242.08482	3.7
242.15546	0.8
244.97768	0.7
249.11276	4.8
260.16537	2.7
261.17447	1.5
288.16006	3.5
299.06219	1.5
300.05978	1.1
308.13165	0.8
322.14737	1.5
356.55322	0.7
370.13235	2.2
372.21695	1.0
374.19717	4.9
375.19937	14.1
409.17990	1.6
416.20673	100.0
417.21011	3.1
418.22546	0.8
450.19434	1.6
493.23901	0.9
521.68744	0.7
537.23553	29.9
538.23511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74349	0.5
51.37019	0.4
52.05306	0.4
53.03822	0.5
55.01740	0.9
55.02007	1.0
55.05373	1.1
55.05646	0.9
65.82217	0.4
67.05635	0.7
68.01373	0.5
69.03182	2.1
69.03607	3.7
69.14822	2.8
70.06744	0.9
70.90903	0.4
71.05168	1.5
79.05206	1.0
79.05650	1.0
80.05225	2.1
81.06742	0.8
81.07256	2.0
82.06247	1.5
82.06781	4.0
83.01485	0.6
83.07575	0.5
84.07777	2.5
84.08348	6.7
86.67809	0.5
86.68301	0.5
91.05657	1.2
93.07256	1.6
94.06140	1.0
94.06786	4.0
95.05137	0.8
95.08792	1.0
96.08360	1.4
97.06696	0.6
99.03958	1.8
99.04681	7.0
105.07266	1.6
106.06744	0.9
107.07587	0.5
107.08757	1.0
108.08296	0.7
109.06658	0.8
110.09200	0.6
110.09873	1.1
111.07497	0.8
111.08327	3.9
117.07245	1.1
119.08063	0.5
119.08760	0.8
120.00950	0.4
120.08350	1.7
121.06776	1.4
122.09931	2.8
123.08234	0.7
124.11481	1.8
125.06261	2.6
125.09865	1.6
127.03127	2.7
127.04179	16.8
128.06410	0.7
129.07236	0.5
129.11961	0.5
131.07744	0.4
131.08752	0.8
132.08308	1.0
133.06668	0.5
133.09093	0.7
133.10313	0.5
134.09920	3.2
135.08255	1.1
135.10583	0.4
136.07797	0.5
136.11401	0.9
137.06233	1.5
137.09824	0.8
138.09306	1.0
138.12923	0.8
139.07758	0.7
145.05482	0.5
145.06665	0.6
145.10297	1.0
146.09875	1.2
147.08208	0.5
148.07745	0.6
148.11446	0.7
150.09431	2.7
152.09642	0.6
152.10979	5.1
154.12512	1.8
155.05464	0.7
158.09900	1.3
160.11401	1.0
161.09842	0.8
162.09392	1.3
162.11612	0.8
162.13074	6.7
163.07721	0.8
167.05867	0.6
167.07286	1.0
168.10501	2.1
171.08324	0.9
172.11374	1.1
173.09840	1.1
174.13071	0.8
180.08748	2.3
180.10501	31.4
182.12071	35.4
183.12265	0.7
188.14684	1.5
190.12279	4.7
191.07291	0.5
196.04553	0.5
196.08192	1.3
204.14009	0.6
205.12506	1.2
206.11792	2.7
207.06862	0.5
208.13554	0.7
214.12520	0.9
217.08884	0.7
220.13606	0.7
221.08380	1.2
224.11191	0.6
231.10400	0.6
232.13376	3.5
233.11945	0.7
234.15135	1.1
242.08470	7.4
249.11209	5.9
260.16425	2.6
261.17368	1.3
262.11841	0.6
280.13889	0.8
282.15387	1.1
288.16086	3.2
290.17743	0.6
300.06250	0.8
322.14969	2.0
342.17422	0.9
351.14297	0.7
370.13193	3.6
372.21875	0.5
374.19653	3.5
375.19849	8.6
398.19504	0.6
409.17984	1.4
416.20688	100.0
417.21091	4.4
418.21887	1.1
439.25821	1.6
449.24722	1.0
450.19315	1.2
475.22992	0.6
493.23151	1.4
537.22943	26.9
538.23663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3035
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
59.59373	0.3
69.18354	0.4
69.18752	1.1
89.25696	0.3
91.98566	0.3
92.21204	0.3
98.22713	0.6
112.03162	0.2
145.84935	0.3
150.03557	0.3
153.60019	0.3
170.75209	0.3
223.28001	0.3
299.06146	0.5
300.06516	0.4
454.20691	0.3
456.34152	0.3
473.34619	0.4
474.35046	1.1
537.30347	100.0
538.30591	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	537.3402
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
69.47362	1.1
73.04755	0.5
80.94843	0.4
91.05798	0.5
103.71900	0.4
113.39898	0.3
145.41591	0.3
167.05553	0.8
173.88033	0.3
176.64885	0.3
224.06573	0.3
257.82849	0.3
268.00143	0.3
284.03146	0.4
299.06253	1.4
300.06357	1.2
309.33072	0.3
396.40039	0.4
537.33960	100.0
538.34265	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	537.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	23.7
67.05497	2.4
69.07066	3.0
69.26419	13.3
81.07037	3.2
83.08608	2.3
97.71456	2.3
109.10148	4.2
127.11221	9.9
135.11758	2.8
145.04463	2.1
181.32832	2.1
211.13087	3.2
213.17450	2.1
250.93555	2.0
393.26169	9.2
537.37598	100.0
538.38385	3.0
543.33240	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	538.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01874	5.7
55.05510	9.3
57.03442	9.9
57.07074	1.9
59.05000	2.5
61.02914	3.4
61.80519	1.8
65.03941	1.7
67.05504	14.5
68.99778	2.9
69.03426	23.7
69.06705	3.0
69.07069	40.0
69.78041	5.7
71.04985	6.3
73.02909	5.8
79.05495	19.6
81.03416	22.8
81.06577	1.7
81.07056	39.5
83.04990	5.6
83.08614	6.2
85.02906	45.4
85.06567	4.6
87.00829	17.7
91.05466	15.0
93.07046	58.9
95.04977	13.1
95.08018	3.2
95.08607	46.7
96.08115	1.8
97.02889	21.8
97.06514	9.5
97.10165	3.7
99.04454	7.3
99.08104	3.1
103.05458	4.7
105.01860	9.2
105.04520	2.5
105.07029	11.8
107.04958	19.2
107.08589	21.6
109.02869	19.4
109.06506	6.7
109.10170	22.2
110.09682	3.7
111.04410	2.8
111.08110	5.0
111.11727	6.5
115.03931	4.7
117.01859	2.0
117.07037	2.5
119.08604	5.2
121.06511	56.2
121.09264	3.0
121.10143	52.4
122.03659	2.2
123.04417	12.1
123.08061	5.8
123.11712	6.1
125.09622	7.6
126.09138	3.3
127.03915	26.4
129.01852	3.8
131.04906	5.0
131.08574	7.2
133.10127	7.0
134.10526	2.0
135.04430	13.1
135.08051	3.0
135.11705	6.2
137.02380	2.5
137.05974	28.1
137.09618	10.2
137.13246	4.4
138.09099	1.8
139.07549	7.0
139.11165	12.9
145.04956	12.6
145.06424	1.8
145.10129	2.4
147.02832	2.1
147.04404	2.3
147.11748	3.0
149.05957	5.0
149.09612	10.8
149.13271	2.5
151.07536	8.2
151.11197	2.9
153.12724	2.8
155.10683	4.6
159.02878	9.7
161.06012	3.3
161.13278	2.3
163.07527	2.8
164.08337	2.4
165.09062	2.7
166.08629	4.3
167.10693	26.7
167.14378	2.8
175.07535	3.9
177.09093	2.2
177.16437	2.1
185.11752	2.1
187.07617	1.8
188.08318	4.7
189.09149	4.7
191.14320	5.8
192.14682	1.9
193.08629	4.1
201.09160	1.9
204.06403	1.6
205.08665	2.3
207.06897	1.8
209.15289	2.1
217.08418	1.6
219.13905	1.8
227.10739	2.2
231.04997	4.0
241.08801	1.8
249.05487	2.1
262.14334	13.4
264.07703	2.2
265.08899	1.9
266.09335	2.9
269.11774	6.4
271.09702	4.1
273.11218	34.4
282.08981	5.6
283.09613	21.5
285.11172	8.0
287.23721	7.1
293.24765	4.4
294.08792	2.4
295.09735	11.7
297.11218	53.0
299.12891	2.8
305.24704	18.2
307.09747	1.8
309.11288	7.7
315.12280	10.1
321.11209	6.1
323.25784	100.0
335.12759	2.6
339.12314	7.1
341.26868	2.1
345.11020	3.2
353.01572	1.9
353.11008	1.7
363.12173	15.8
381.13455	8.5
399.14230	2.6
408.05243	1.8
467.13171	3.9
485.14560	3.6
506.19223	7.3
538.23999	67.6
538.31885	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	538.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01862	4.1
55.05498	1.4
57.03431	1.5
57.07063	2.3
60.03105	1.2
61.02932	1.9
65.03924	1.4
67.05500	3.5
67.44575	1.0
69.03439	10.8
69.07072	5.6
71.04996	4.3
73.02915	3.3
73.04745	1.5
76.08285	1.2
77.03896	1.2
79.05492	6.5
81.03413	12.3
81.07048	7.2
83.08662	1.6
84.08147	1.6
85.02906	27.3
85.06564	2.5
87.00831	11.0
87.04481	1.5
89.67355	1.1
91.03949	1.2
91.05466	36.8
93.07063	5.0
95.04980	4.1
95.08605	5.1
97.02884	13.4
97.06551	2.5
99.04433	6.7
105.01883	7.7
105.07021	2.0
107.04952	49.2
107.08597	4.2
109.02872	10.7
109.10159	4.6
111.08083	2.1
115.03900	2.4
117.01870	1.4
119.04932	11.8
119.08527	1.9
121.02875	13.9
121.06534	1.7
121.10164	4.1
121.42275	1.3
123.11721	2.9
124.05191	1.3
125.05997	2.3
125.09625	1.7
127.03915	15.9
127.07522	1.3
134.06023	5.4
135.04425	3.6
135.11694	2.0
137.08417	1.2
139.07550	17.9
139.08548	2.1
140.04683	4.6
145.04967	11.3
147.02893	1.5
147.11725	2.2
151.07538	21.4
152.06110	1.6
152.07162	1.9
153.09140	2.6
155.07005	6.2
155.46593	1.9
159.02872	5.8
165.05501	4.0
167.05559	1.7
167.08588	2.9
168.31885	1.3
179.07025	1.4
180.10170	2.7
181.06490	3.0
183.13803	2.3
193.12308	1.3
195.08115	3.9
196.08830	8.9
197.06039	1.2
199.11139	2.9
201.14857	1.8
206.08226	4.5
209.19046	1.3
212.08347	11.5
213.03873	1.7
213.09024	2.7
213.77698	1.2
224.08414	2.6
227.10648	13.8
229.18161	1.3
230.11887	1.6
231.05019	3.4
237.18414	1.3
240.07834	2.8
241.08772	2.0
255.10150	74.2
255.19504	8.1
255.23457	1.8
273.11200	100.0
274.11481	1.9
279.10373	1.6
297.11197	4.2
299.06168	3.2
301.06119	2.8
384.35202	1.4
484.34125	5.2
502.35019	5.1
520.36292	2.5
538.19562	4.3
538.24542	3.9
538.37207	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.1
55.01874	12.9
55.05507	4.5
57.03438	5.8
61.02925	7.1
67.05511	3.0
67.21441	2.9
68.99803	6.1
69.03427	45.5
69.07094	3.5
70.01464	3.0
71.04990	7.9
73.02921	13.4
79.05473	4.6
79.42622	2.7
81.03419	49.9
81.07059	5.0
83.04982	4.3
85.02906	100.0
87.00833	42.5
91.05482	5.4
95.04935	2.6
95.08609	8.5
97.02896	34.1
99.04462	19.6
101.06036	5.5
103.05491	7.9
105.01870	25.7
105.07049	3.4
107.04958	15.1
109.02877	41.3
109.10148	4.5
111.04455	3.6
117.01839	7.9
121.06532	8.6
123.04438	20.0
127.03918	63.1
129.01784	6.2
131.04945	13.2
135.04398	16.1
137.02379	4.5
137.06030	14.5
139.07518	7.0
145.04939	36.9
147.02875	6.8
147.04381	4.5
149.05988	10.0
151.07564	10.3
153.19853	2.9
159.02899	31.6
159.54897	3.0
161.05968	6.0
163.07565	4.0
164.08308	7.1
165.16385	7.9
174.06804	2.8
175.07555	6.2
177.05478	3.1
177.09105	3.8
189.09131	11.1
189.26143	2.9
193.08652	4.1
193.15942	4.3
196.08911	3.7
197.06007	5.1
205.08389	3.3
211.16904	5.5
213.08919	3.4
221.61525	2.9
225.08919	4.3
227.10764	8.4
229.18065	12.0
231.05013	10.8
240.07851	3.8
259.09766	3.7
265.08447	3.2
266.09326	5.5
269.11548	4.3
273.11246	74.2
273.14142	5.3
274.11667	2.8
277.08734	4.2
279.10278	4.5
282.08823	5.6
283.09579	28.3
285.11191	12.0
295.09656	18.2
297.11224	89.2
297.14496	6.1
299.12766	6.3
307.09610	4.8
309.11292	10.2
315.12247	22.6
321.11200	8.4
327.12073	6.6
335.12817	6.4
339.12280	14.8
345.11252	5.2
363.12112	17.1
381.13348	12.0
467.13351	3.6
485.14386	7.7
500.41699	3.2
502.35504	5.8
520.35980	3.7
538.37097	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	538.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01866	5.0
57.03447	6.5
61.02929	8.8
68.83681	0.9
69.03065	2.2
69.03429	32.1
69.68025	2.1
69.72169	1.1
70.06583	3.2
71.04992	3.0
73.02586	0.9
73.02925	8.8
81.03423	23.3
82.81020	1.1
83.05002	1.1
85.02905	100.0
86.09691	4.0
87.04471	25.2
91.03958	7.6
91.49068	1.1
97.02894	33.3
99.04435	6.2
103.03925	3.0
103.05489	1.5
103.22410	1.0
104.85697	1.1
105.06963	1.0
106.24454	1.0
109.02882	13.4
115.03931	83.9
116.04268	1.2
119.44386	1.0
120.35431	1.0
121.06532	1.9
121.10101	1.1
123.04424	1.3
127.03918	46.8
127.04869	2.5
131.04926	2.3
132.10197	2.6
133.04968	29.7
134.16817	1.1
135.06775	3.1
137.05966	2.5
145.04959	65.7
149.05981	5.1
153.59265	1.1
163.06004	10.0
166.05057	1.8
167.07028	30.4
177.05476	12.6
193.08685	1.5
202.95265	2.2
209.08107	8.5
211.09592	1.4
215.98384	5.4
217.07034	1.9
221.08107	3.5
223.09602	1.1
227.09135	21.2
233.08098	1.8
237.07677	1.2
241.07050	2.5
251.09140	3.0
259.08072	17.0
261.99017	8.6
277.09155	19.6
293.10202	1.2
301.05984	1.3
317.10397	1.9
371.12891	1.4
413.73666	1.1
520.73444	1.6
538.26178	2.8
539.13507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90387	1.3
53.03938	3.8
55.01867	3.0
57.03432	6.1
57.62559	1.4
61.02926	9.5
69.03066	2.1
69.03431	32.9
69.93198	1.8
69.93520	3.1
71.05001	2.2
72.78084	1.3
73.02922	11.1
81.03417	18.6
85.02907	100.0
87.04471	25.5
91.03947	8.8
93.07048	2.0
95.04978	1.8
97.02895	35.8
99.04461	8.1
103.01865	1.3
103.03916	2.2
105.07005	2.6
109.02889	15.4
115.03934	97.9
121.06497	1.5
127.03918	44.2
131.04903	2.6
131.08620	2.1
133.03969	2.0
133.04970	37.2
133.10097	3.2
137.05945	3.1
145.04968	69.2
149.05981	5.5
149.58832	1.3
163.06032	12.1
164.14322	1.6
167.07051	44.3
173.13272	2.3
177.05502	15.1
182.11729	1.9
191.14384	2.8
193.08641	1.4
209.08125	12.1
209.15361	3.3
211.09688	2.0
221.08194	2.6
227.09192	23.4
233.08015	1.7
239.09044	1.6
251.09135	3.3
259.08127	14.7
277.09192	21.7
418.22351	8.2
538.22424	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	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
55.01860	1.2
55.05502	1.5
65.40753	0.6
67.05504	1.8
69.03434	3.2
69.07092	1.2
69.59960	0.6
69.60291	2.1
70.06593	0.9
70.71345	0.6
71.04989	1.9
79.05489	2.5
81.03427	1.5
81.07042	4.2
83.04987	1.2
83.08643	1.3
84.80695	0.6
85.02907	6.2
87.04483	1.0
91.05474	5.3
91.65206	0.5
93.07059	3.3
93.29199	0.5
93.69918	0.6
94.04186	1.8
95.04964	2.4
95.08598	3.0
97.02905	1.8
97.06522	0.7
98.52680	0.6
103.05468	1.8
105.07040	9.0
107.04943	0.9
107.08585	3.8
109.02171	0.8
109.02863	1.2
109.06517	1.8
109.10139	2.4
109.52480	0.6
111.08086	1.0
115.03960	3.2
115.05444	2.4
116.25001	0.6
117.07003	1.3
119.08589	4.4
121.06503	2.7
121.10155	3.5
122.03658	5.5
123.08106	0.9
123.11715	0.7
125.09670	1.3
127.03931	2.5
127.11192	1.4
128.06229	0.7
129.07011	1.8
131.04890	0.7
131.08577	1.4
132.05698	1.3
133.04968	1.3
133.06487	3.9
133.10117	3.3
135.11699	1.2
137.05981	100.0
139.07622	0.6
143.10655	1.4
145.04971	2.5
145.06480	2.7
145.10132	3.3
146.03650	0.7
147.04390	1.1
147.08076	2.0
147.11728	0.9
149.06009	4.3
149.09688	0.7
151.03984	0.8
151.07588	1.1
151.11195	2.1
159.08054	1.6
159.11716	1.8
160.05200	1.3
161.05988	15.2
161.13293	1.3
162.06743	2.4
163.07498	1.5
167.14360	1.0
172.05203	1.3
173.06029	1.1
173.09669	0.6
173.13271	0.9
175.07549	22.0
179.07008	0.7
187.07550	6.7
190.07806	0.8
191.08588	4.9
191.14194	1.0
193.08624	5.9
199.07550	2.9
201.16362	3.9
202.07793	0.7
203.08617	1.6
205.08562	3.1
207.07976	0.8
209.15378	6.2
219.08080	6.8
219.17465	4.4
220.08855	1.0
227.12643	0.6
227.16377	2.1
231.08072	1.8
235.07495	0.7
236.08292	1.1
237.18541	2.6
247.07570	3.2
248.08427	1.3
251.10672	8.7
253.08734	1.1
259.07681	1.9
260.08423	0.9
261.09167	0.7
263.10529	1.0
264.07797	1.4
269.11743	1.2
277.08896	2.0
279.10168	9.1
291.10135	3.9
296.10471	1.1
299.06210	1.1
309.11169	1.2
311.12762	26.8
323.12787	10.2
329.13879	4.6
341.13828	9.8
350.39035	0.6
391.68533	0.5
471.54877	0.6
538.27625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.7
59.14763	0.6
59.28158	0.6
64.84841	0.6
65.24929	0.6
67.05517	1.0
69.36018	2.7
72.17355	0.6
73.04771	1.2
73.09446	0.5
75.65892	0.6
76.16254	0.6
84.08123	1.3
91.05468	19.6
93.35428	0.6
97.93663	0.6
105.07029	4.2
115.05466	0.8
117.07038	2.8
119.04905	3.0
121.06513	2.2
125.06007	0.6
131.08562	1.4
133.06522	0.9
135.08086	1.6
141.06960	0.7
143.08545	1.4
147.08063	0.8
151.07544	5.7
151.78400	0.6
155.08514	1.6
163.07553	0.7
164.08284	1.3
165.06996	4.3
166.07724	0.9
167.05603	0.9
167.08548	3.9
175.07607	0.6
177.09174	1.4
178.07803	0.9
180.09331	5.9
193.10086	1.4
195.11694	2.0
199.61572	0.6
210.10457	1.3
223.11240	0.8
224.11903	0.9
225.12730	1.3
240.11484	3.0
255.13809	100.0
256.14182	2.2
299.06213	1.1
300.06146	0.8
301.05927	2.4
371.20108	1.5
433.27283	0.8
538.30090	1.7
549.80243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08368	0.4
53.77763	0.3
55.01862	0.6
56.96567	0.4
63.86341	0.3
66.41727	0.3
67.05502	0.5
67.07338	0.3
69.03413	0.9
69.52753	0.6
69.53145	0.8
73.04770	0.4
77.06611	0.3
79.05488	1.2
81.03419	0.5
81.07047	1.2
83.01301	0.4
84.08150	0.7
84.96023	0.7
85.02895	1.4
91.05464	4.2
93.07025	0.9
95.04955	0.6
95.08601	1.2
97.02910	0.6
98.97594	1.9
103.05455	1.0
105.01841	0.5
105.03401	0.4
105.07027	5.5
107.08582	1.1
107.98560	0.4
109.06490	1.3
115.05446	1.3
116.06268	0.4
116.98643	0.6
117.07029	6.1
119.04920	0.5
119.08588	1.6
121.05721	0.6
121.06509	6.6
123.04427	0.8
123.08086	2.6
125.05983	0.9
127.03924	0.4
129.07007	0.5
131.08577	3.5
133.06470	0.7
135.04427	0.5
135.08060	10.6
137.05980	18.9
145.06487	0.5
149.05983	13.0
149.07187	0.7
149.09636	0.6
151.07541	36.7
152.07848	0.8
152.30615	0.4
159.08017	0.5
163.07549	20.7
164.08176	0.5
165.08987	0.5
167.05646	0.6
167.08566	0.5
177.09106	1.5
179.08531	1.3
181.10139	0.4
191.07076	0.7
194.10896	1.5
195.08060	0.5
197.09389	0.5
204.09210	0.3
209.13249	1.4
212.08311	0.4
220.13449	0.4
222.10378	2.2
225.09081	1.4
227.10637	0.9
227.14238	0.6
237.12602	0.9
239.10628	0.5
240.11435	2.9
255.13799	100.0
256.14142	2.8
259.06299	0.4
272.13666	0.7
273.08066	2.7
286.84274	0.4
287.09647	0.5
291.09213	0.6
299.05978	0.5
301.05890	0.7
315.09061	1.4
315.15790	0.5
333.10016	0.4
371.20602	0.5
507.53192	0.4
538.29565	1.6
544.34143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03455	1.6
59.26846	1.3
61.02933	1.2
69.03424	2.9
69.93826	1.6
69.94152	2.5
73.04764	1.6
78.80623	1.2
79.05492	4.2
80.00465	1.2
81.03399	2.0
84.08190	1.9
84.80270	1.1
85.02898	7.0
87.00835	2.2
87.10412	1.2
91.05456	2.6
91.05917	1.4
93.07055	1.5
95.04967	1.6
97.02900	2.0
98.98655	1.3
103.05476	3.5
103.12671	1.5
105.01884	4.3
105.07030	24.4
107.08623	3.7
109.02903	2.5
109.06493	1.4
115.05460	2.0
117.07053	2.7
120.05742	4.0
121.06484	7.4
127.03928	5.7
128.88571	1.2
133.06503	4.7
135.08054	100.0
137.09630	3.0
145.04982	4.0
147.02933	1.5
147.08052	3.0
149.06003	1.6
150.06787	4.6
151.07552	2.1
154.15950	1.3
157.35185	1.2
165.09126	75.2
174.06784	1.9
182.09506	1.3
189.09106	4.1
209.08128	3.4
251.09132	2.4
267.13754	1.8
273.14856	72.2
274.15268	1.7
289.23743	1.6
297.14874	16.0
299.06125	3.5
300.06113	3.1
301.05872	3.8
339.15982	13.7
339.79486	1.4
358.31522	1.3
363.15805	9.3
381.16986	9.9
485.17798	2.7
505.56805	1.4
518.74017	1.5
538.21686	1.6
538.29541	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	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24550	1.0
55.05501	1.3
57.03422	1.3
62.87420	1.0
63.57586	0.8
64.61162	0.9
67.05513	2.4
69.03426	3.6
70.06609	1.6
71.04990	1.8
73.75140	1.0
79.05490	1.7
81.03439	2.4
81.07052	5.8
83.04983	1.4
85.02901	8.5
85.06507	1.0
87.04476	2.3
90.26659	1.0
91.05451	5.5
93.07060	2.6
94.04169	1.9
94.07425	1.0
95.04961	2.9
95.08593	4.7
97.02889	3.1
99.04457	2.4
103.05501	1.5
105.07050	8.1
107.04963	1.7
107.08573	4.0
109.02863	1.8
109.06529	3.8
109.10174	2.4
110.09637	1.4
110.23196	0.9
111.04482	1.2
111.08089	1.7
115.03933	4.6
115.05425	2.6
117.07048	1.5
119.08587	4.3
120.08096	1.4
121.06532	1.3
121.10158	3.9
122.03663	4.7
123.11726	2.2
125.09642	1.1
127.03918	6.0
128.06203	1.9
129.07057	2.3
131.04930	2.2
131.08539	3.0
133.04941	2.0
133.06499	4.4
133.10132	3.8
135.08145	1.2
135.11676	1.4
136.07587	1.8
137.05981	100.0
143.04874	1.1
145.04999	3.0
145.10124	2.1
147.04395	1.2
147.08060	2.8
149.06029	2.3
151.07532	1.0
157.06378	1.2
159.08076	2.6
160.05197	2.4
161.05991	13.2
166.06863	1.2
166.08578	2.6
167.05605	1.2
167.09038	1.9
167.97017	0.9
168.05553	1.2
172.05199	2.0
173.13255	2.1
175.07553	35.6
175.09067	1.9
181.04991	2.9
187.07542	12.1
189.09084	1.5
190.07771	3.6
191.08539	10.8
191.14317	4.1
199.07521	5.8
202.07811	2.0
203.08591	3.6
205.08688	3.0
209.15350	8.8
211.07658	1.0
217.08632	1.7
218.07317	2.2
219.08063	15.0
220.08842	2.9
227.16451	4.0
231.08020	4.1
235.09688	2.8
236.08409	2.5
244.09854	1.3
247.07643	5.8
248.08237	2.9
251.10690	25.2
259.07764	2.9
260.08267	1.3
261.09171	1.6
263.10596	2.5
264.07932	1.6
276.07843	1.2
277.08960	3.7
279.10123	20.6
280.10910	1.0
291.10147	4.2
296.10461	1.8
299.13797	1.3
301.06119	1.0
305.24405	0.9
308.13251	2.3
309.13644	1.5
311.12778	55.0
313.14368	2.6
323.12817	9.4
341.13815	6.2
376.15891	1.3
426.54669	1.0
427.13693	1.0
494.23740	1.6
538.22784	2.1
538.29889	2.5
555.19519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25124	0.8
55.01856	1.6
61.02908	0.9
65.03967	0.9
66.70411	0.8
67.05503	1.6
69.03428	3.4
70.06601	1.0
79.05512	1.5
81.03421	2.6
81.07072	1.7
83.07339	0.9
84.08147	2.0
85.02913	9.7
91.05470	1.8
93.76898	0.7
95.04984	0.9
95.08620	1.2
97.02894	3.2
99.12379	0.7
100.11251	1.4
105.07011	1.4
107.04900	0.9
107.08569	0.9
109.02885	1.0
109.06525	1.8
111.04431	1.1
115.05473	5.8
116.93519	0.8
117.07030	3.6
121.06517	1.5
122.03645	2.4
124.56693	0.9
125.06013	1.9
127.03910	2.3
128.06235	1.8
129.07028	4.3
131.04941	3.4
133.02837	1.1
135.08051	1.6
136.11230	0.8
137.05981	88.2
138.06355	0.9
142.12277	1.3
143.04916	8.6
144.05684	1.0
145.04948	2.5
145.06508	1.2
149.05980	2.8
151.03957	1.1
151.07535	9.1
153.05470	2.2
157.06503	4.7
160.05206	16.1
161.05963	2.2
163.07553	8.7
172.05205	2.1
174.06763	1.5
175.07547	100.0
176.07892	1.5
180.08705	2.0
182.15385	1.3
187.07545	35.1
189.09134	7.6
203.08548	1.0
205.08598	22.7
205.10442	1.5
207.06519	1.1
210.14833	1.0
211.07567	0.8
217.08611	3.0
219.08060	2.2
220.13467	1.2
221.13652	1.2
231.08046	2.3
235.07312	1.8
235.09644	31.8
247.07582	0.9
248.08304	2.0
251.10863	1.0
255.13814	31.4
256.14175	1.0
259.07605	1.6
263.10681	2.7
270.09009	2.0
271.09650	3.4
276.07959	1.1
279.10199	2.5
291.10193	5.6
301.05844	1.1
311.12744	3.2
323.12762	7.2
341.13861	10.5
370.20273	1.0
371.20483	2.0
418.22079	1.6
456.17691	2.0
495.34967	2.2
538.30682	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	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
53.85624	0.9
55.01876	1.0
57.39297	1.0
63.06179	0.9
67.05492	1.5
69.03431	3.5
70.06597	1.0
70.12099	2.6
73.04743	1.2
77.32617	0.9
79.05493	4.4
81.03419	2.4
81.07065	1.5
84.08146	2.8
85.02905	6.1
87.00833	2.9
87.26018	0.9
89.82354	0.9
91.05431	1.5
91.05829	1.8
93.07040	1.0
95.04999	1.7
95.08606	1.6
97.02888	2.0
99.04481	1.7
103.05460	2.7
105.01844	1.6
105.04565	1.1
105.07037	20.2
107.08613	1.6
108.04507	1.3
109.02862	2.8
109.10172	1.4
119.08552	2.1
120.05716	3.0
121.06514	4.5
121.30195	1.0
123.04476	1.5
123.08239	0.9
127.03910	3.8
135.08054	100.0
136.08434	1.2
137.05965	0.9
137.09608	1.9
145.04973	1.6
147.08034	2.0
159.02928	1.6
165.09128	36.1
167.05501	1.8
169.07701	1.1
175.11147	1.9
179.49895	0.9
220.13390	1.5
241.12392	1.5
243.21382	1.1
256.10745	1.2
267.13876	0.9
273.14850	81.7
273.24396	1.7
274.15256	1.5
286.38861	1.1
297.14987	1.3
299.06207	2.1
300.06250	1.7
301.05927	4.1
339.15726	1.2
363.15970	1.5
371.20529	1.8
383.14841	4.3
425.06696	1.1
520.28864	2.3
538.29523	4.7
538.37360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11792	0.6
53.03938	1.1
55.01870	0.8
61.02935	0.6
61.32290	0.5
69.03429	2.3
70.12820	0.7
70.13148	1.3
73.04755	0.7
77.03938	0.5
81.03417	1.1
84.08131	1.3
85.02913	6.9
87.00827	2.5
91.05424	3.5
92.08261	0.5
93.07047	8.6
95.04963	2.0
95.08646	0.5
97.02886	1.9
97.45693	0.5
99.04455	0.9
103.05470	6.0
105.01852	2.0
105.04533	1.4
105.07050	1.1
109.02868	2.0
115.39930	0.5
119.08570	0.5
121.06505	100.0
122.06839	1.0
123.04360	0.6
127.03907	3.9
135.08047	0.8
137.05997	0.6
145.04982	2.0
145.06520	0.6
149.09628	1.5
153.09030	0.9
153.79085	0.6
159.02914	1.6
164.08319	2.3
165.09119	1.3
167.05562	1.5
179.09204	0.5
179.10657	12.1
220.13388	0.8
273.14847	66.0
274.15179	1.7
297.14886	1.6
299.06125	1.5
300.06320	0.6
301.06146	1.7
301.12128	0.6
315.15848	1.2
339.15866	1.8
346.97470	0.6
363.15842	2.4
371.20279	0.9
381.17133	1.6
538.29266	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	538.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34718	3.0
55.05500	9.7
57.03435	7.2
57.07071	2.8
59.04993	2.9
67.05499	7.5
69.03423	26.3
69.07061	4.4
70.06599	3.9
73.02905	3.4
79.05491	4.5
80.89905	2.5
81.03430	3.6
81.07056	14.5
83.04996	16.8
83.08595	7.8
85.02907	26.2
85.06553	4.6
87.04472	22.1
91.05483	5.4
91.20608	2.3
93.07039	8.9
95.04975	13.6
95.08614	9.4
97.02898	17.2
97.06512	7.2
99.04424	5.9
104.38554	2.6
105.07024	14.0
107.08603	18.8
107.18826	2.5
109.06539	13.2
109.10142	23.0
111.08063	5.7
115.03918	31.8
115.07562	7.0
119.08581	8.2
121.10149	31.4
123.11713	10.5
125.09653	5.2
127.03913	7.3
131.08577	7.4
133.04959	21.0
133.10120	37.9
135.08034	6.2
137.05931	2.8
139.11172	5.8
145.04950	6.6
145.10144	4.9
147.11679	10.6
149.13272	9.7
151.11203	19.1
153.09096	10.2
158.10921	4.0
163.14828	5.0
165.12762	5.1
167.10698	5.6
167.14349	12.1
173.13254	22.6
175.14862	6.3
181.12268	4.8
191.14285	31.7
204.59579	2.7
209.15358	100.0
227.16397	30.5
259.08075	3.1
277.09222	5.8
399.13272	2.6
418.22314	3.3
538.22583	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05511	10.9
57.03419	1.9
59.04997	1.4
61.02910	1.6
67.05491	3.0
68.70855	0.8
69.03432	8.3
69.07072	2.2
69.28457	3.0
70.06590	1.1
71.05000	3.2
73.02910	2.0
79.05488	2.7
81.03409	4.0
81.07053	5.2
83.04971	9.6
83.08616	9.4
84.08144	1.4
85.02404	1.8
85.02901	25.0
87.04469	6.8
91.03922	1.0
91.05478	2.9
93.07046	6.0
95.04967	17.5
95.08584	2.9
97.02898	7.3
97.06514	3.1
97.10139	1.4
98.22703	2.3
99.04438	7.2
101.02322	1.0
105.07043	5.3
107.08596	8.8
109.02863	4.6
109.06509	3.8
109.10137	8.5
111.08074	3.2
115.03922	32.2
117.41750	0.9
119.08559	4.2
121.10130	8.6
123.08076	1.8
123.11716	3.2
125.09650	2.6
127.03908	11.6
131.08559	4.1
133.04974	10.8
133.10127	9.7
135.11662	1.3
137.05948	2.9
137.09517	1.5
139.11172	2.4
145.04982	14.0
145.10112	2.2
147.11699	3.7
148.49574	1.1
149.13261	3.3
151.11185	14.9
153.09100	6.5
163.06013	2.3
163.14795	1.4
165.12592	1.1
167.14322	16.9
173.13246	7.4
191.14284	10.9
204.39874	1.0
209.15367	100.0
210.15714	1.8
217.07257	1.1
227.16449	8.1
251.10672	1.7
259.08038	3.8
275.54590	1.2
277.09116	7.4
279.10165	2.0
299.04224	1.1
311.12885	1.6
406.61670	0.9
538.22681	2.5
539.11322	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	538.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	2.5
55.05519	3.2
57.03437	3.1
57.07064	3.0
61.02921	2.2
62.03995	0.5
63.63211	0.5
67.05496	1.6
69.03427	9.4
69.07069	10.4
71.04992	2.2
71.08652	3.7
71.08973	0.6
71.44725	0.6
73.02922	4.1
79.05482	1.8
81.03426	7.6
81.07058	12.9
83.04985	4.7
83.08617	3.7
84.08152	0.7
85.02905	38.4
85.06541	3.1
85.10180	1.4
87.04469	8.6
91.03955	1.3
91.05398	0.8
91.05855	1.1
93.07030	2.5
95.04964	0.7
95.08612	4.2
97.02896	7.7
97.03504	0.9
97.06522	1.9
99.04456	5.7
99.08076	0.6
101.02378	5.5
105.07018	4.4
107.08588	4.7
109.02892	5.3
109.06538	4.1
109.10168	0.8
111.04461	6.0
111.08097	0.9
113.05991	1.3
115.03934	23.4
115.07571	1.2
119.08573	2.8
121.10138	7.0
123.08090	2.8
123.11714	17.4
127.03918	11.9
127.07542	4.7
133.04976	8.3
137.13310	1.2
141.09068	2.3
145.04962	11.5
147.11687	23.5
153.05455	3.3
155.14287	4.5
157.04929	0.8
163.06012	2.1
165.12769	14.1
167.05530	1.2
170.37152	0.6
183.13808	67.5
184.14117	1.3
201.14854	100.0
202.15221	1.7
227.16351	1.5
245.17323	0.7
255.14174	0.5
259.08115	2.9
277.09213	7.3
292.68329	0.6
299.06137	1.5
300.06110	0.6
301.05933	1.7
317.08173	0.9
318.08722	0.6
388.21149	1.0
520.25665	1.3
538.27179	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	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01871	2.5
55.05508	6.1
57.03436	3.4
57.06824	0.7
57.07076	2.4
61.02920	3.1
67.05502	3.6
69.03065	0.9
69.03427	13.2
69.07067	12.9
71.04984	2.3
71.08620	3.0
71.31964	0.6
73.02921	3.8
79.05479	3.4
81.03419	8.6
81.07053	14.9
83.01289	0.6
83.04967	2.6
83.08624	5.7
84.08135	1.4
85.02901	48.2
85.06532	3.6
85.10165	0.8
87.04464	10.1
91.03936	2.2
91.05472	2.2
93.07041	4.2
95.08606	5.7
97.02888	12.4
97.06519	3.4
97.10177	0.9
98.23582	1.2
99.04445	4.6
99.08093	1.3
100.07616	1.5
100.11269	3.5
101.02367	3.2
103.03952	0.7
105.07017	5.9
107.08601	6.0
109.02881	6.8
109.06507	2.7
109.10126	1.7
111.04440	2.0
111.08090	1.4
113.06020	1.0
115.03929	33.1
119.08556	2.8
121.10141	8.8
123.08087	3.3
123.11706	18.0
127.03913	17.7
127.07568	6.3
128.07071	1.7
133.04965	11.2
134.05988	1.3
137.13251	2.4
140.07072	1.0
141.09070	2.0
145.04955	17.3
147.11674	22.5
149.13248	5.1
152.07014	1.0
154.24785	0.7
155.14288	4.7
157.04912	0.6
163.05980	3.4
165.12744	14.6
167.05499	0.8
167.14346	1.1
173.09436	0.6
175.71236	0.7
178.08676	0.6
180.10191	1.2
182.15366	5.9
183.13794	64.3
184.14084	1.5
184.16931	2.7
201.14844	100.0
202.15262	1.8
206.08139	1.0
209.16515	0.9
210.14912	5.9
220.13437	0.8
228.15933	1.2
237.12746	1.3
241.06987	1.1
245.18581	1.2
255.13695	2.1
255.16122	0.7
255.22997	1.6
259.08047	4.0
266.21097	2.0
273.14728	0.8
273.24084	1.7
277.09140	8.2
294.20596	3.3
301.06006	0.8
337.21054	1.9
343.50302	0.7
345.84766	0.7
355.22189	1.7
484.34225	1.5
492.94455	0.7
502.35474	3.1
520.29633	1.1
520.37219	7.2
538.23792	2.8
538.30334	1.0
538.37939	16.0
539.37750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.01868	2.1
55.05509	3.7
57.03435	1.8
57.38816	0.9
58.91588	0.7
61.02925	3.0
66.63731	0.8
67.05501	2.0
69.03426	9.4
69.07068	8.2
71.05001	1.2
71.08630	8.1
73.02917	1.1
73.04773	0.9
79.05494	0.8
81.03421	5.6
81.07056	5.7
83.05003	1.0
83.08599	4.9
85.02905	21.2
85.06534	7.8
87.04465	7.2
91.03958	0.9
91.05473	1.8
93.07042	3.1
95.04963	1.2
95.08636	3.9
97.02872	7.6
97.06556	1.6
99.04459	2.2
99.08099	9.0
105.07016	1.9
109.02868	4.9
109.10179	1.2
111.04408	0.9
111.08081	72.7
112.08466	1.6
115.03931	16.2
119.01659	0.8
119.08568	0.9
121.10135	0.9
123.11733	3.1
127.03926	8.9
129.09140	1.5
133.04968	3.7
145.04988	5.1
147.11656	3.7
155.14308	77.6
156.14528	1.1
163.06087	1.1
183.13803	100.0
184.14137	2.5
194.14206	0.8
201.14853	65.5
205.18839	0.8
209.15378	1.0
227.16440	5.8
241.07051	0.9
245.17490	8.1
255.23273	1.2
259.08038	1.9
277.09167	2.9
299.06189	1.4
301.06143	1.1
302.17288	0.8
337.44803	0.9
342.30530	0.9
538.37115	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82195	0.4
53.03940	1.3
55.01875	1.1
55.05511	5.3
57.03430	2.1
57.07078	0.9
61.02929	2.4
64.64859	0.4
67.05499	1.7
69.03433	9.8
69.07069	7.6
69.20777	1.4
69.21189	1.3
71.04997	1.7
71.08631	10.9
73.02925	2.5
74.06078	0.5
75.05370	0.4
79.05487	0.9
80.64021	0.4
81.03415	6.5
81.07059	5.8
83.04990	0.8
83.08624	7.3
85.02909	25.9
85.06542	6.7
87.04472	6.2
91.03973	1.1
91.05493	1.7
93.07032	3.2
95.04947	0.5
95.08619	3.7
97.02892	7.3
97.06522	0.7
99.04446	2.5
99.08086	12.3
103.03918	0.5
105.07027	4.4
107.04983	0.6
107.08606	1.3
109.02892	3.7
109.06533	0.6
109.10175	1.4
111.08083	100.0
112.08411	1.1
115.03120	0.8
115.03928	16.2
117.09154	1.3
119.08604	1.0
121.10143	3.1
123.08051	0.5
123.11703	2.9
127.03911	11.2
127.07547	0.7
129.09085	1.3
131.08548	0.7
133.04977	4.2
133.10124	2.3
134.06023	1.7
135.08034	0.4
136.07599	0.5
139.11185	1.3
145.04962	9.8
147.11696	3.5
155.14308	71.5
156.14651	1.3
161.09621	2.0
163.06018	1.0
163.11191	1.5
165.12756	2.4
167.07097	0.4
175.24596	0.5
179.10687	3.0
180.10118	0.6
183.13808	79.7
184.14172	1.1
191.37318	0.4
201.14859	45.1
202.15207	0.6
206.08147	1.1
209.15366	1.6
227.10646	0.9
227.16414	35.1
228.16637	0.9
245.17387	3.8
255.13803	1.0
255.19583	0.5
259.08231	2.5
259.10611	0.5
273.15027	0.5
277.09265	1.7
292.15536	0.5
299.06885	0.4
301.06049	0.6
323.25467	0.8
388.79764	0.4
406.22272	0.8
457.62161	0.4
484.33987	1.0
502.35165	1.7
520.36517	2.5
538.24377	1.5
538.37500	6.8
539.24670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01875	1.7
55.05515	4.8
57.03426	2.1
58.04700	0.7
61.02922	2.5
67.05503	1.8
67.51678	0.6
69.03426	10.5
69.07060	7.9
71.04995	2.0
71.08268	0.9
71.08634	11.3
71.31750	0.7
71.43468	0.9
72.63747	0.6
73.02911	2.8
79.05509	1.8
81.03419	6.8
81.07059	6.3
83.08625	6.8
85.02905	29.2
85.03416	1.7
85.06541	7.3
87.00773	0.8
87.04469	7.1
91.03955	1.5
91.05468	1.9
93.07050	4.8
94.27280	0.6
95.04947	1.0
95.08620	4.1
97.02898	10.0
97.06503	1.3
99.04453	4.2
99.08089	12.4
105.07024	8.1
107.08601	2.1
109.02902	3.5
109.10161	2.5
111.08080	100.0
111.11713	1.1
112.08418	1.6
115.03935	16.1
117.09114	0.8
119.08589	0.9
121.06485	1.1
121.10155	2.8
123.08112	0.9
123.11709	2.5
124.93522	0.7
127.03925	13.0
129.09125	1.6
133.04945	3.2
133.10139	5.2
134.06021	1.0
135.11694	1.0
137.13223	0.8
139.11201	1.5
145.04962	9.9
147.11664	3.3
151.07535	1.0
151.11209	0.8
155.14304	71.8
161.09639	4.7
163.06088	0.7
163.11174	3.9
165.12735	1.8
167.14224	0.7
179.10645	7.0
180.10246	1.3
183.13803	77.6
184.14185	0.9
201.14854	44.2
202.15126	1.0
206.08128	2.2
207.10132	1.0
209.15419	2.8
217.81668	0.7
227.16415	33.6
245.17502	4.2
255.13823	1.0
259.08087	2.0
277.09213	2.3
305.24872	1.1
379.69913	0.7
397.88086	0.7
406.22394	1.2
468.41974	0.7
474.10608	0.8
484.33737	1.2
502.35205	2.7
520.36145	2.5
538.24060	2.8
538.37323	6.7
556.33142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
58.06610	0.5
60.08170	6.1
67.05508	0.3
70.16688	0.3
71.07379	3.3
72.83450	0.3
73.04763	0.3
81.07073	0.6
86.09710	32.9
91.05444	0.5
92.93992	0.3
95.08623	0.3
98.22693	1.3
98.98460	3.1
99.09273	0.3
104.10746	5.3
105.07046	1.3
121.06530	1.6
125.00008	22.7
135.08052	2.4
137.74529	0.3
140.91158	0.6
162.93376	0.3
167.05565	0.7
169.05118	0.3
183.95441	0.3
184.07349	100.0
185.07658	0.7
197.72838	0.3
210.10225	0.3
223.92735	0.4
226.09915	0.9
241.12238	0.6
242.33463	0.3
254.09621	0.4
258.10971	0.5
267.10446	0.3
267.13739	0.7
269.11752	4.7
270.12329	0.4
284.13770	0.4
299.06174	0.5
300.06155	0.4
301.05905	1.1
344.59821	0.4
371.20792	0.3
373.17938	0.5
394.86557	0.3
417.03577	0.4
520.34125	2.0
538.22894	10.7
538.34998	11.9
539.23956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63832	0.3
55.05514	0.3
56.05019	0.7
57.03406	0.4
58.06602	0.6
60.07866	0.5
60.08160	6.5
60.13282	0.3
64.53375	0.3
67.05485	0.5
70.06586	0.3
71.07378	3.5
81.07042	0.4
86.09702	32.3
91.05424	0.7
95.08611	0.8
98.98466	3.7
104.10740	5.2
105.07018	0.5
121.06467	1.2
121.52483	0.3
125.00000	21.5
135.08043	1.8
140.91168	0.4
145.06477	0.3
151.07567	0.3
167.05563	0.7
175.07568	0.3
183.95471	0.3
184.07335	100.0
185.07600	0.8
209.09628	0.5
213.84256	0.3
225.08998	0.4
226.09869	0.8
229.28279	0.3
241.12215	0.5
253.08614	0.4
254.09413	0.8
255.10194	0.4
258.10974	0.4
267.10062	0.4
267.13748	0.8
269.11722	5.6
283.13156	0.5
284.13651	0.5
298.87802	0.3
299.06262	0.6
300.06396	0.5
301.06030	0.8
371.20615	0.3
373.17834	0.4
409.82507	0.3
477.17682	0.4
520.33948	2.9
538.22845	10.4
538.34894	10.7
539.24414	1.4
539.34937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06595	2.6
53.03952	3.1
55.05510	26.3
57.03446	3.6
57.07070	15.7
61.10527	3.3
67.05497	27.8
67.08418	2.9
69.03419	12.1
69.03771	2.7
69.07067	48.8
69.25785	5.9
69.26198	10.4
70.06583	6.9
71.04980	5.2
71.08613	3.4
73.06599	2.8
79.05495	19.9
81.03407	7.0
81.07061	80.6
83.04983	11.6
83.08627	32.3
85.02907	14.2
85.06545	4.8
85.16687	2.8
91.05449	17.1
93.07040	65.4
95.04988	17.6
95.08029	3.7
95.08611	60.6
97.02888	5.4
97.06558	13.2
97.07069	2.7
97.10169	10.5
105.07018	22.9
107.04939	3.5
107.08604	30.8
109.06521	26.7
109.10167	40.5
111.08083	23.0
111.11710	3.8
115.03905	3.2
115.11304	2.6
117.07011	3.0
119.08588	25.0
121.06501	7.8
121.10148	46.4
123.08080	7.9
123.11670	19.9
125.09651	4.2
127.03902	4.6
131.08553	6.5
133.10156	18.6
135.08073	3.6
135.11658	11.3
137.09605	8.4
137.13277	17.2
139.07533	7.3
139.11096	6.8
145.04968	3.6
145.10127	8.4
147.07904	3.3
147.11668	13.3
149.09608	3.0
149.13246	16.5
151.11183	4.7
157.10181	4.3
159.11682	9.9
161.09595	7.6
161.13239	7.2
163.14813	9.6
165.16376	4.4
167.10693	5.1
171.11691	3.6
173.13229	5.3
175.14801	6.2
177.16309	4.7
179.10693	6.0
183.17436	10.1
187.14709	3.0
189.16357	5.6
193.12257	4.1
203.18076	4.3
207.17490	3.8
213.16412	4.2
229.19571	5.1
235.20479	3.0
243.21098	3.8
256.94019	2.7
259.24146	4.0
263.23260	2.8
269.22626	7.7
279.23215	7.6
287.23679	13.4
292.14349	3.5
293.24866	17.0
305.24750	76.1
323.25793	100.0
324.26315	4.7
341.26797	9.0
384.94501	2.6
538.23950	9.8
538.37384	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	538.3872
Annotation	1-nonadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.11250	0.6
56.05026	1.5
57.07061	3.1
58.06590	1.3
59.07408	0.8
60.08168	21.4
67.05508	1.2
69.07050	1.0
69.43130	1.0
69.43527	1.9
71.07376	7.2
71.08629	1.2
81.07063	1.0
83.08633	0.8
85.10171	1.2
86.09707	57.9
89.44268	0.7
95.08591	1.1
95.88976	0.7
96.91474	0.6
98.98487	4.3
104.10744	100.0
106.91744	0.6
125.00008	32.9
133.51453	0.7
184.07347	96.0
185.07666	0.9
191.76344	0.7
198.55908	0.7
258.11139	1.5
282.27866	0.7
313.52979	0.8
352.16620	0.9
355.31909	1.1
520.37610	8.3
538.38696	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	538.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67732	2.2
55.05519	5.9
57.03449	3.9
57.07077	49.3
67.05507	10.9
69.07079	10.6
69.46733	6.9
71.08627	38.2
73.36665	2.3
81.07061	17.6
83.08627	10.3
85.02907	3.7
85.10197	20.7
86.75471	2.1
95.08608	26.4
96.36885	2.2
97.02904	3.4
97.10172	10.3
98.22747	4.9
99.11766	3.0
109.10173	12.4
111.11681	4.6
123.11737	6.6
129.19119	2.3
135.43274	2.5
135.51913	2.2
137.13303	2.8
143.63840	2.0
151.28151	2.0
158.07301	2.1
167.05521	2.6
168.61171	2.2
184.07452	3.4
185.31718	2.0
237.39943	2.2
267.26831	32.0
285.27881	3.6
299.06497	3.0
301.06070	4.0
341.30502	100.0
359.31552	17.2
411.30905	2.6
429.31726	4.6
538.35175	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	539.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.5
51.02380	1.0
53.03946	1.9
55.01872	0.2
57.65215	0.1
61.72293	0.1
65.03939	0.4
69.49093	0.6
70.26131	0.1
77.03923	2.4
78.22441	0.1
79.05487	0.2
81.03436	0.2
85.02916	0.2
89.03855	0.2
91.05483	0.4
93.03337	0.2
95.04971	10.1
102.04700	0.4
103.05470	2.1
105.03395	100.0
105.04404	5.2
105.07024	0.5
106.03723	0.7
107.04973	0.2
109.06534	0.2
117.07006	0.3
118.04171	1.8
118.06555	0.3
119.04921	0.2
123.04371	0.2
125.05982	0.2
130.04150	1.1
131.04938	2.6
133.02843	0.6
133.06493	0.5
133.98242	0.2
136.05211	0.2
137.06001	0.5
140.04698	0.2
145.06514	0.2
146.03629	0.3
147.04414	0.3
148.05157	1.0
151.07547	0.2
153.05466	0.6
155.07011	0.4
160.86092	0.1
161.02362	0.2
161.05963	0.7
162.52043	0.2
163.07547	0.6
165.05489	1.0
166.06172	0.2
167.05659	0.2
167.07042	0.4
171.06570	0.2
173.06013	0.6
176.04688	2.6
177.05434	0.3
180.07777	0.5
181.04958	5.6
184.07350	0.2
187.07571	0.2
191.07033	34.0
192.07413	0.5
193.04956	0.5
193.08630	0.4
207.06540	0.4
208.07309	1.1
225.07597	1.6
226.08342	0.5
245.08095	0.3
300.92108	0.1
313.10669	1.7
323.09137	0.3
324.36380	0.2
406.55911	0.2
567.89691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01872	4.9
55.05501	4.5
65.03935	2.8
67.05511	4.5
69.03433	11.3
69.07084	3.6
69.69948	9.1
71.04981	4.5
73.06608	2.3
79.05503	8.6
81.03426	12.6
81.07066	4.2
83.04971	3.2
83.08622	5.7
84.08153	7.8
85.02907	28.1
85.06582	2.8
85.78338	3.0
87.00835	15.5
91.05471	66.1
91.05977	3.8
92.05785	2.8
93.07047	15.4
95.08606	3.7
97.02900	21.3
97.06551	3.0
99.04459	6.5
100.07633	4.1
100.11258	8.1
105.01864	10.5
105.07036	22.5
106.07410	3.7
107.08580	5.0
109.02851	12.8
109.06519	9.6
111.04448	4.9
117.07021	4.3
119.06046	7.6
120.05745	2.3
121.06507	100.0
123.04501	3.1
123.08059	4.3
127.03933	24.6
128.07137	3.9
135.08051	82.3
136.08862	13.0
137.05954	3.5
140.07109	2.9
143.08615	4.0
145.04950	9.3
149.13278	8.0
150.13618	2.5
153.06848	2.6
155.08571	4.2
157.10336	2.5
159.02852	7.2
161.09578	5.0
165.06981	3.6
165.09209	5.2
167.08534	5.4
169.10152	3.3
171.08078	6.6
172.08777	2.9
173.09587	3.4
179.08501	4.0
182.15411	8.4
184.16830	3.1
185.09628	7.4
185.17372	2.4
195.11661	11.4
197.09529	3.4
199.11270	4.1
209.13358	6.9
210.14851	13.7
212.11993	4.3
213.09200	4.5
213.12732	21.9
220.13347	5.3
222.10141	2.8
222.14833	2.5
227.14297	98.6
237.12781	18.1
238.13210	4.0
255.13783	85.3
256.14127	13.2
266.21262	4.6
267.01025	2.4
273.14825	73.3
273.17545	4.8
294.20676	8.8
299.77148	2.4
300.06042	3.5
316.15515	3.9
344.57407	2.7
441.27216	3.4
520.37427	4.8
521.37177	6.8
538.38354	15.7
539.29895	11.8
539.38483	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	539.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38214	0.2
52.59349	0.3
55.01874	0.5
55.05507	0.9
56.05016	0.3
57.35948	0.3
61.57356	0.3
67.05501	2.3
69.03423	1.0
69.17189	1.8
69.65435	0.3
69.68003	0.3
70.06589	3.2
79.05499	0.4
80.05022	2.2
82.06570	0.3
83.04969	0.4
84.07677	0.4
84.08148	4.0
91.05433	0.5
93.07039	1.3
94.06568	1.7
95.04967	0.4
95.08608	5.4
96.08125	1.1
99.04445	2.1
105.07037	1.0
107.08600	0.5
108.08101	0.9
111.08047	0.3
120.08098	0.7
121.10143	0.3
122.09681	3.4
123.08064	0.7
124.11243	1.2
125.06020	0.5
125.09592	0.6
127.03912	5.0
129.05482	0.5
134.09641	1.1
135.08037	0.6
136.07571	0.4
136.11218	4.3
140.29459	0.3
148.11253	0.5
150.09155	2.8
152.10712	1.8
154.12294	1.1
162.12804	0.7
164.14354	12.7
168.10172	1.5
174.12718	0.3
176.14316	1.1
180.10185	0.3
182.11766	22.3
183.01176	0.3
183.12170	0.4
190.15897	1.1
225.52829	0.3
234.14961	1.3
262.18030	0.9
277.01004	0.3
290.17517	0.8
304.15503	0.4
324.16351	0.5
344.18646	0.4
372.21619	0.6
400.21320	0.8
418.22226	100.0
419.22595	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	539.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55381	0.4
55.01865	0.6
55.05505	1.7
67.05503	2.4
69.03419	1.7
69.07082	0.7
70.06585	3.4
71.99094	0.5
73.02884	0.8
79.05487	1.4
80.05003	2.0
81.07056	1.5
83.04997	0.7
84.08138	4.6
85.02922	3.0
91.05493	0.5
93.07040	1.6
94.06567	1.4
95.04964	1.3
95.08595	7.9
96.08094	1.3
97.02868	0.8
97.06507	0.6
99.04435	3.2
105.07008	1.0
107.08593	1.2
108.08107	1.3
108.08884	0.7
109.02811	0.6
109.06516	1.6
109.10175	1.1
110.09681	0.7
115.03951	1.2
119.08572	0.9
120.08137	0.7
121.06509	0.7
121.10108	1.0
122.09665	2.8
123.08081	1.0
124.11231	1.4
125.05979	0.8
125.09637	1.3
127.03915	5.0
129.05496	0.7
131.08519	0.6
133.10120	2.0
134.09627	1.0
134.10533	1.0
135.08026	1.3
135.11687	1.1
136.06175	1.4
136.11194	4.3
136.12006	0.5
145.04988	0.6
145.10127	1.0
147.11700	0.5
148.11205	0.7
150.09132	2.8
152.10675	3.2
154.12297	0.8
161.13208	0.5
163.03928	0.6
164.14348	11.1
166.08694	0.5
168.10222	1.9
174.13687	0.7
175.14812	0.9
176.14316	0.7
182.11766	21.4
190.14355	0.6
190.15984	0.8
191.14249	2.5
192.14665	0.9
204.12474	0.5
209.15364	2.6
210.15685	2.0
216.13750	0.6
227.16515	0.7
228.09564	0.6
234.14908	1.7
235.09651	0.6
262.17963	0.9
290.17453	0.8
304.15454	0.5
359.07562	0.5
400.21130	0.9
418.22220	100.0
419.22437	3.0
523.09088	0.5
539.13782	3.1
539.20258	0.6
539.22205	0.8
540.24786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73500	0.8
55.01886	0.9
65.03928	1.1
67.05501	1.8
69.77153	2.3
77.03948	1.0
79.05504	8.1
81.07064	1.6
86.09723	0.8
91.05473	8.7
93.07060	2.4
95.04970	2.2
95.08597	0.8
103.05468	6.0
103.11600	0.8
105.04502	1.6
105.07032	28.9
105.07742	1.6
107.04891	1.1
107.08614	1.6
109.06521	1.9
115.05453	2.5
115.22681	0.7
117.07032	1.7
119.08625	1.1
120.05748	3.0
121.06515	13.6
132.05649	0.9
133.06555	1.7
135.08055	100.0
136.08426	1.2
137.06026	1.3
145.06479	5.9
146.07248	0.8
149.09576	1.4
151.07513	2.1
158.68199	0.9
160.05344	0.8
168.05632	1.0
175.07564	5.3
179.08499	1.0
181.06395	0.9
183.08029	1.4
184.07350	1.6
193.10213	0.9
195.08092	1.7
197.09706	0.8
208.08923	1.5
209.09639	1.1
211.07526	1.4
223.11124	1.6
224.08398	1.8
225.09096	2.2
227.10658	1.7
237.09085	2.3
239.07039	1.4
239.10873	1.0
241.08597	1.6
241.12233	1.3
243.10184	1.0
253.08653	2.4
254.09413	2.4
255.10152	5.4
256.10995	3.4
267.10168	8.1
268.11011	0.9
269.11697	6.7
271.09726	5.7
277.21823	0.9
281.11673	1.0
283.13290	13.4
293.11469	0.9
330.12393	1.2
335.16656	1.0
338.27762	1.4
339.24994	0.8
356.14063	1.3
357.14886	5.2
358.12003	1.9
371.12677	2.3
372.13501	1.7
373.14297	11.6
385.14404	1.3
386.14874	1.6
387.16013	1.8
399.15805	2.8
405.16922	1.0
431.18423	2.1
493.19739	1.1
503.18472	1.0
507.21606	11.2
508.22107	2.8
539.24426	15.0
540.24774	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	539.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
54.72548	0.7
55.26938	0.7
62.10755	0.8
65.01788	0.7
67.05520	0.8
69.94360	1.8
77.03923	0.9
79.05505	8.7
91.05485	17.2
93.07058	5.5
95.04987	2.7
103.05467	7.3
105.04530	2.0
105.07040	29.1
105.59312	0.7
107.04955	2.1
107.08593	1.1
109.06541	4.1
111.90562	0.7
115.05463	2.2
117.07029	2.2
119.06097	2.5
120.05730	3.4
121.06514	29.0
133.06480	2.0
135.08060	100.0
136.08386	1.3
137.06012	2.0
145.06480	10.1
147.08057	1.5
149.09673	1.9
151.07526	3.2
159.08043	1.5
161.09637	1.4
163.07584	0.8
165.09155	1.3
167.07028	1.0
175.07542	11.5
187.02092	0.7
189.23732	0.8
191.08681	0.8
194.07343	1.1
195.08110	1.7
196.08847	1.2
197.09781	0.9
208.08810	1.6
209.09595	3.2
211.07571	1.7
211.11226	1.5
223.11160	1.7
224.08353	2.5
225.09135	2.7
226.09792	0.9
227.10756	1.2
229.12143	0.8
237.09042	3.7
237.63989	0.7
238.09929	1.6
239.10698	3.1
240.11450	0.8
241.08627	1.1
241.12177	1.9
251.10698	1.5
252.11435	2.0
253.08615	2.4
254.09406	2.8
254.12996	1.1
255.10222	4.8
255.14001	1.2
257.11703	3.4
265.12177	2.5
267.10159	9.4
268.11017	2.0
269.11728	12.6
271.13248	0.9
281.11688	1.0
283.13303	29.7
283.16428	1.5
284.13821	0.8
285.14816	2.4
309.11258	1.1
343.13461	1.8
344.14172	0.9
355.13245	0.8
357.14890	1.0
358.15701	2.0
359.16370	1.8
367.51086	0.8
369.14951	1.4
370.15671	1.6
371.12491	1.8
372.13278	1.6
373.14334	3.2
385.14182	2.4
386.15192	5.1
387.16190	4.9
403.15445	1.4
409.32968	0.9
417.17102	1.8
431.18301	1.3
479.21176	1.6
491.21945	1.1
497.21057	1.0
507.21799	6.6
508.22333	6.2
511.24603	3.1
521.22021	2.1
539.23834	24.5
539.31879	20.6
540.25116	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03938	0.4
53.86939	0.3
55.01865	0.4
60.08158	0.3
60.62413	0.3
65.03934	0.5
67.05491	0.5
69.75671	0.8
77.03922	0.7
79.05493	8.0
81.07053	0.4
83.01328	0.6
83.40102	0.2
86.09698	1.3
86.76378	0.2
91.05478	5.4
93.07056	1.4
95.04967	2.2
95.08614	0.5
98.23493	0.3
103.05466	5.3
104.10746	2.5
105.04510	1.1
105.07033	29.4
107.04941	0.5
109.06519	1.0
115.05439	1.3
115.82717	0.2
117.07010	0.7
119.06088	0.6
119.08578	0.4
120.05716	3.2
121.06514	9.8
123.08039	0.4
124.99986	0.6
133.06520	1.6
135.08055	100.0
136.08380	1.1
137.06004	0.7
145.06487	5.6
146.07275	0.7
147.08070	0.7
149.09621	0.9
150.07005	0.3
151.07535	1.8
153.05499	0.4
159.08061	0.6
161.06036	0.6
163.07567	0.5
165.05659	0.3
165.07040	0.7
168.05698	0.3
171.08041	0.5
175.07558	5.6
177.09125	0.4
179.08586	0.5
181.06532	0.5
181.10069	0.5
183.08101	0.8
184.07361	0.8
185.09613	0.5
193.10126	0.4
194.07256	0.8
195.08044	0.9
196.08832	0.8
197.09584	0.5
198.96890	0.4
199.11133	0.3
209.09595	1.4
211.07561	1.4
211.11169	0.7
221.09552	0.4
222.06831	0.4
222.10373	0.5
223.11128	0.4
224.08421	1.4
225.09082	1.4
226.09946	1.1
236.08426	0.3
237.09070	2.5
238.09842	0.7
239.06970	0.4
239.10678	0.6
240.07762	0.6
240.09804	0.5
241.08611	0.6
241.12253	0.7
243.10109	1.6
251.10751	0.8
252.07686	0.6
252.11543	0.3
253.08661	1.5
254.09370	2.4
255.10149	2.1
255.13873	0.7
256.10956	1.4
267.07309	0.5
267.10181	9.1
267.13193	0.4
268.11044	1.2
269.08759	0.5
269.11725	9.4
271.09692	1.4
271.13086	0.3
283.09915	0.6
283.13269	11.7
285.14856	0.4
293.11642	0.4
337.27307	0.4
338.82401	0.3
343.13257	3.5
345.14935	0.4
355.13361	0.6
356.14243	0.4
357.14832	1.9
358.15759	2.0
369.14825	0.5
371.12759	0.7
372.13678	0.9
373.14337	13.5
383.16452	0.5
385.14291	1.6
386.15134	5.2
387.11801	0.3
387.16098	2.1
389.13611	0.4
399.15857	4.2
400.16946	0.5
401.13229	0.5
403.15442	0.9
415.14944	0.4
416.16367	0.5
417.16891	0.6
427.72180	0.3
431.18597	2.7
477.20480	0.3
493.20132	0.4
507.21719	9.3
508.22482	1.8
521.22565	0.3
538.30774	2.3
539.23926	7.6
539.31024	10.4
540.24695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88821	0.4
53.03931	0.4
58.82329	0.3
65.77124	0.3
67.05481	0.4
70.06920	0.6
70.07246	0.8
77.03905	0.7
79.05494	7.0
91.05477	5.2
91.26395	0.3
93.07036	1.3
95.04969	1.5
98.22747	0.6
103.05471	6.7
105.04508	1.4
105.07030	28.6
107.04949	0.8
107.08585	0.6
109.06509	1.3
115.05456	1.5
117.07014	0.8
119.06039	0.9
119.08585	0.6
120.05730	3.9
121.06503	8.9
123.08087	0.4
128.06172	0.4
133.06490	1.8
133.37637	0.4
135.08052	100.0
136.08388	1.1
137.05949	0.8
145.06482	5.6
146.07249	0.8
149.09615	0.5
151.07567	2.4
161.06044	0.4
165.06996	0.4
167.07169	0.5
175.07544	6.9
183.08031	0.5
185.09502	0.4
195.08037	0.8
197.09842	0.5
209.09602	0.6
211.07526	0.7
212.08243	0.4
218.23300	0.4
224.08400	1.5
225.09087	0.9
226.09911	1.0
237.09129	0.5
238.09740	0.5
239.10605	1.1
240.07829	0.5
241.08739	0.6
243.10121	0.7
253.08617	1.0
254.09299	1.1
255.10092	1.9
255.13785	1.1
256.10901	2.5
267.10175	2.5
267.13690	0.6
268.10962	3.1
269.11697	3.8
283.13272	15.0
283.16409	0.7
284.13586	0.5
337.33215	0.4
357.14743	0.8
364.40598	0.4
371.16452	0.4
373.14230	1.6
373.18365	0.5
379.52380	0.4
385.14307	0.5
386.15088	0.8
387.15799	1.0
399.16245	0.5
400.16595	1.1
403.15216	0.6
427.19351	0.7
431.18362	0.9
441.41122	0.4
508.22562	0.5
521.23474	2.2
539.24817	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	539.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
67.05505	0.3
73.94346	0.2
81.07050	0.5
91.05482	0.3
93.07062	0.3
98.23491	0.4
105.07039	0.2
175.10953	0.2
183.11627	0.3
185.04330	0.3
203.05324	0.9
259.08002	0.6
539.31891	100.0
540.32196	3.1
540.39795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98607	0.3
57.07080	0.3
66.16090	0.2
67.05499	0.5
68.55487	0.2
70.05550	0.5
72.58414	0.2
73.04701	0.2
79.05502	0.6
87.46326	0.3
91.05476	1.6
93.07045	0.8
105.07038	1.9
109.06527	0.6
111.42310	0.3
119.06078	0.6
120.05703	0.3
121.06512	4.3
135.08060	5.5
147.08182	0.2
165.20338	0.3
173.72461	0.2
180.75496	0.3
185.04260	0.7
209.09605	0.5
211.07506	0.5
224.08495	0.6
225.09117	0.5
237.09071	0.5
238.09761	0.3
239.07179	0.3
239.10739	0.9
239.23698	0.3
241.12233	0.3
254.09380	0.5
255.10168	0.6
267.10187	1.9
269.11655	2.2
271.13324	0.3
285.14877	0.5
343.13348	0.5
371.12659	0.6
385.14084	0.3
386.14883	0.3
387.15829	0.3
454.12741	0.3
479.21320	0.5
507.21744	1.3
508.22333	0.6
511.24490	0.3
521.21863	0.9
539.24286	7.8
539.31860	100.0
540.24664	1.8
540.32373	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	539.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03615	0.4
57.07071	0.6
70.06634	0.7
120.32400	0.4
152.79410	0.5
218.93079	0.5
219.46036	0.5
359.50485	0.5
539.35474	100.0
540.36090	3.6
540.53558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01339	0.2
57.03428	0.6
57.07077	4.5
65.94962	0.2
67.05505	0.5
68.09543	0.2
69.07066	0.2
69.23042	1.2
71.54966	0.2
88.07632	0.3
89.06037	0.6
92.43742	0.2
95.08616	0.3
95.84197	0.2
109.10179	0.7
127.11213	1.9
145.12231	0.7
153.75160	0.2
167.93871	0.2
181.09717	0.2
184.07379	0.3
201.14867	3.1
256.26443	0.3
339.25089	7.1
340.25198	0.2
342.10019	0.2
395.27637	1.4
469.68024	0.2
508.04755	0.2
509.56039	0.2
527.36932	0.2
539.39203	100.0
540.39447	5.2
540.53369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66491	3.0
53.03950	16.2
55.01880	14.5
57.03431	11.1
58.35628	2.9
59.74874	3.2
61.02930	6.3
67.05527	5.8
68.99803	7.3
69.03432	48.2
69.07098	3.5
71.05002	9.4
73.02915	11.2
78.93831	3.6
79.05514	7.6
81.03419	43.5
81.07061	3.5
82.97539	3.0
85.02908	100.0
87.00831	38.5
91.05486	27.3
95.04971	5.2
97.02900	30.2
99.04469	19.7
100.48164	3.5
103.05560	3.2
105.01871	27.8
105.07024	14.9
109.02872	51.0
109.10145	3.7
117.01881	6.4
119.04939	13.2
121.06509	5.9
123.04437	24.2
127.03913	63.2
129.01843	8.7
135.08090	6.3
137.05983	75.7
145.04971	30.2
148.35153	2.9
149.06067	3.8
151.07559	23.8
152.08423	4.1
159.02876	27.5
159.08012	3.8
161.05910	6.2
163.07512	3.1
165.09125	55.3
175.07640	3.7
189.09138	10.9
200.45016	3.2
201.09116	3.8
227.10625	3.8
231.05002	9.7
274.14337	15.8
275.12790	89.8
283.09674	9.6
285.11209	20.2
287.12772	47.9
297.11227	4.9
299.12894	37.0
302.13843	18.8
309.11285	3.6
311.12949	5.6
317.13892	43.1
323.12845	4.4
341.13904	27.8
347.12518	4.8
365.13879	60.0
383.14905	67.3
469.15009	7.1
487.15948	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	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01876	11.4
55.56073	2.0
57.03427	7.1
61.02928	6.1
65.03947	2.1
68.60120	2.3
68.99809	3.7
69.03427	24.4
69.09859	1.9
69.28442	10.3
71.04990	2.5
73.02906	8.2
79.17306	1.9
81.03412	25.2
85.02903	66.5
87.00840	25.5
89.68314	2.1
91.05476	26.3
97.02894	38.6
99.04434	11.0
105.01871	19.4
105.07029	7.5
107.04951	11.2
109.02872	26.4
111.04453	4.2
115.03900	2.2
117.01842	4.8
119.04947	42.4
121.06522	5.1
127.03929	41.6
129.01823	4.1
129.07005	2.5
131.04974	3.0
133.06503	11.2
134.06021	2.3
135.08047	2.3
137.06000	2.3
139.07576	6.0
145.04964	24.8
145.06474	3.3
147.02936	2.4
149.05992	4.0
151.07510	10.3
157.06427	6.6
159.02876	16.1
159.08034	2.2
163.07607	3.0
163.62202	2.2
175.07614	2.5
181.06448	2.3
183.03062	2.5
193.08566	2.9
205.08652	5.7
229.88240	2.3
231.05014	8.5
237.09029	2.9
257.11734	100.0
267.10217	8.4
269.11768	16.6
279.10062	4.1
281.11725	25.8
291.10172	2.7
293.11679	3.8
295.13339	3.8
299.12793	29.1
319.13342	4.4
323.12604	14.0
347.12692	6.8
365.13879	24.6
383.14890	3.1
424.74203	2.2
442.24881	2.1
451.13635	4.5
469.14899	7.7
472.73782	2.3
487.15887	2.9
540.29706	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	540.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01867	0.7
57.03434	0.4
59.05021	0.3
61.02929	0.4
62.70224	0.2
65.03941	0.3
68.99783	0.2
69.03426	2.4
71.90512	0.2
73.02910	0.4
74.40843	0.2
76.20024	0.2
79.05481	1.0
81.03424	1.4
83.04977	0.4
85.02905	6.8
87.00830	3.4
91.05478	23.1
95.04958	0.4
97.02898	2.2
97.06516	0.2
99.04452	0.9
103.05468	0.9
105.01858	5.3
105.07028	5.7
107.04955	2.7
109.02873	1.7
109.06520	0.5
111.04434	2.9
113.05994	0.3
115.05434	0.4
119.04939	34.0
120.05281	0.3
121.06511	3.2
123.04408	0.3
124.05215	2.2
127.03915	4.2
129.06981	0.3
131.04930	0.7
133.06485	7.1
135.04442	0.4
135.08047	1.5
135.08914	0.2
137.05972	3.3
138.06766	1.7
139.07535	7.3
145.04988	1.6
145.06476	2.2
148.05142	0.4
149.05980	3.8
150.06770	0.3
151.07530	2.5
152.34587	0.2
153.06964	0.4
154.07765	0.3
157.06494	0.8
159.02876	0.9
159.08008	1.1
161.06033	0.3
163.07559	1.0
164.08318	2.5
165.06973	1.3
166.07796	0.4
167.08534	0.5
169.06502	0.2
171.08038	0.3
173.05948	0.2
175.07541	0.3
177.07001	0.2
179.08571	0.6
181.06474	0.8
182.07237	1.4
183.08012	0.8
185.05984	0.2
193.06398	0.5
194.07265	0.5
195.08005	0.6
196.08931	0.4
197.09602	3.5
199.07603	0.7
207.07980	0.2
209.05942	0.4
209.09726	0.2
210.06693	1.4
211.07553	1.2
224.08371	0.9
225.09103	2.3
226.09851	2.1
227.06995	0.9
229.17909	0.4
231.05083	1.3
241.08611	0.4
242.09349	3.5
249.06046	0.5
257.11713	100.0
258.12070	2.2
267.10266	0.5
269.11569	0.3
281.11734	0.8
299.12750	1.0
311.07492	0.2
323.12750	0.5
335.13443	0.2
365.13770	1.0
522.36768	0.3
540.25092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01880	2.6
55.05503	3.1
57.03453	3.4
61.02913	1.9
65.03946	1.7
66.90548	1.2
69.03430	12.5
69.07076	5.5
71.05023	1.6
79.05500	4.0
81.00794	1.3
81.03422	7.7
81.07056	2.0
83.04972	2.3
83.08620	3.3
85.02905	22.1
87.00819	9.1
91.05479	68.6
95.08598	1.9
97.02898	9.7
99.04462	3.3
105.01860	7.7
105.07027	39.8
107.08588	3.7
109.02866	8.2
109.10131	2.3
111.08076	4.8
113.06049	1.6
117.07001	7.9
123.08059	2.3
125.09623	13.6
127.03907	17.0
129.06987	7.6
131.08592	7.1
135.08064	1.4
135.99463	1.3
137.09633	3.5
141.07028	8.9
143.08572	6.2
145.04968	3.9
153.09145	2.9
155.08543	21.3
157.10219	1.9
159.02873	1.4
169.10124	8.4
171.08069	2.5
171.11723	2.9
181.10182	2.1
183.11786	3.5
187.07594	2.0
195.11719	5.4
196.12439	1.8
197.13312	5.8
199.77953	1.5
206.10948	1.6
211.14809	66.1
215.14282	10.5
221.13313	4.4
229.15865	16.5
231.05069	5.8
239.14302	60.2
239.33679	1.3
257.15353	100.0
258.15720	2.5
275.16403	27.4
336.64069	1.4
485.13022	1.5
517.89978	1.4
540.21698	3.0
540.30078	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	540.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
53.95816	0.2
57.03433	0.5
60.04516	0.6
61.02924	0.5
69.03416	1.2
71.05011	0.2
74.71191	0.2
81.03419	0.7
85.02908	4.0
91.05468	0.6
97.02902	1.3
109.02872	0.4
115.05445	0.7
117.06996	0.5
126.85840	0.2
127.03899	0.7
128.06227	0.7
129.06999	3.7
131.04929	0.8
131.08553	4.8
133.10156	0.2
137.05965	1.2
141.06998	3.5
143.08582	0.4
144.05695	0.6
145.04950	0.7
145.06474	0.4
146.07242	0.4
148.05225	0.2
157.06474	4.1
158.07289	1.9
158.68420	0.3
159.08057	5.2
160.05151	0.7
161.09601	0.6
162.07642	0.8
163.07547	0.4
169.06474	2.5
170.07260	0.9
171.08092	0.4
173.09666	0.3
174.06752	8.8
175.07542	2.2
180.08588	1.2
181.08594	0.9
186.06747	2.0
188.08371	0.7
189.09097	19.7
191.07071	0.3
191.10637	1.9
201.09090	7.5
207.10143	0.5
219.10153	100.0
220.10497	1.5
237.11203	1.7
250.27428	0.2
257.11813	0.3
342.22638	0.3
372.56680	0.2
378.24805	0.6
381.15573	0.5
540.23859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06922	0.8
62.68198	0.8
66.59729	0.7
69.03447	1.2
69.36951	1.5
69.37347	3.2
70.54851	0.7
72.89470	0.7
85.02901	1.7
88.11112	0.8
90.26304	0.8
91.05483	1.4
95.04980	0.9
98.23492	1.0
98.97609	1.9
105.07059	1.3
107.04963	4.2
115.05422	1.2
119.01324	0.7
121.06518	7.6
121.08729	0.8
123.04425	5.0
129.07002	5.3
131.08568	6.1
133.06441	1.1
135.04439	6.9
135.08043	1.6
137.05965	4.5
141.07022	4.9
145.06516	0.9
147.08055	0.9
149.05989	7.1
149.07076	1.1
151.07552	1.2
157.06483	4.0
158.07300	2.4
159.08043	4.6
160.05170	1.4
161.05992	2.2
163.07491	1.0
169.06506	2.6
171.04361	1.2
174.06757	12.4
175.07552	4.0
176.08284	0.8
186.06778	2.2
187.07465	1.0
189.09117	21.9
191.10715	1.9
197.09673	1.3
201.09108	8.4
203.10786	0.9
219.10164	100.0
220.10435	1.5
237.11226	2.3
254.09286	0.8
255.09053	1.7
257.11725	37.7
258.12039	0.9
260.07407	1.3
288.07074	2.7
314.08414	1.4
353.38876	0.8
360.09009	4.4
393.73035	0.9
431.56122	0.9
450.89340	0.9
514.13196	0.9
540.21246	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01869	1.1
55.05496	0.7
57.03438	5.9
59.04992	1.2
60.04510	0.7
61.02935	0.8
63.56856	0.3
67.05549	0.5
67.24775	0.4
69.03430	22.3
70.64159	0.5
73.02914	0.6
73.70335	0.4
74.74889	0.4
75.04474	0.7
77.32459	0.4
79.05495	3.6
81.03405	1.4
81.07053	1.2
83.08621	0.4
84.08143	0.5
85.02403	0.8
85.02904	15.7
87.00801	0.7
87.04466	14.4
91.05473	6.3
92.05820	0.7
95.04969	0.8
95.08608	0.9
97.02251	1.0
97.02890	18.4
99.04449	0.8
100.11243	0.5
103.03950	0.4
103.05472	2.3
105.07029	100.0
106.07362	1.4
109.02887	0.7
111.04479	0.6
115.03932	23.0
117.07024	1.0
120.82330	0.4
121.06494	0.7
122.72514	0.5
123.08071	0.7
127.03964	2.0
129.07068	0.5
133.04967	22.8
137.05972	1.8
145.05006	2.4
147.08041	0.9
149.05930	0.5
150.07617	2.5
151.07535	6.0
155.08571	0.4
161.06006	0.8
169.04997	0.6
170.15399	1.1
174.06784	0.8
175.07541	3.4
179.07040	0.9
187.07526	1.1
189.09198	0.4
190.88687	0.4
193.08638	0.6
195.11449	0.5
198.14969	1.3
210.15050	0.6
211.14969	0.6
216.07794	1.0
220.13391	0.6
222.69769	0.6
223.11063	0.5
229.12233	27.3
239.14404	0.7
241.12199	1.7
253.12230	13.6
255.13695	0.8
256.14191	1.4
257.15402	1.7
259.08231	0.9
265.12231	4.4
269.11676	1.1
271.13293	17.9
274.15179	1.0
277.09171	0.7
277.12149	0.6
279.13828	0.5
295.10397	0.6
295.13348	4.7
296.13760	0.5
307.13254	7.8
319.13364	1.1
325.14340	9.9
337.14307	1.3
343.15375	1.1
355.15414	4.7
358.23703	0.9
361.16406	2.2
373.16718	0.5
391.17404	1.2
424.31680	0.7
465.36603	0.5
496.32147	0.5
539.41779	1.1
540.30688	1.2
540.41357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30067	0.4
67.05493	0.6
69.03410	0.6
69.38580	2.5
81.03431	0.5
85.02896	1.6
90.55956	0.4
91.05482	4.0
97.02903	0.7
100.61517	0.5
103.27299	0.5
105.03371	0.7
115.05463	0.6
128.06235	0.5
129.07004	4.0
131.08557	4.2
137.05974	0.6
141.07016	3.5
143.08537	0.5
144.05759	0.7
151.07642	0.8
157.06473	3.5
158.07262	1.9
159.05974	0.5
159.08055	4.6
160.05194	0.6
161.10857	0.5
169.06509	1.5
170.07269	1.4
172.77109	0.4
174.06766	8.4
174.08247	0.5
175.07578	2.3
186.06750	1.9
188.08331	0.7
189.09109	20.6
191.10654	1.7
195.74268	0.5
201.09111	7.5
203.10698	1.1
219.10164	100.0
219.78085	0.5
220.10585	1.0
221.11650	0.6
237.11189	2.0
257.11655	1.9
440.41107	0.7
517.04797	0.5
540.24762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
57.07069	1.3
63.42704	0.5
65.03931	0.7
67.05496	0.9
69.03429	2.1
71.08633	0.7
71.46180	0.5
79.05485	1.8
81.07059	1.5
83.04971	1.1
83.08618	0.8
85.10210	0.7
88.07606	0.6
89.06020	0.5
91.05478	10.1
92.05824	0.8
93.07032	5.0
95.04959	1.7
95.08591	1.2
97.06508	0.6
103.05483	0.6
105.07028	2.0
107.04957	1.8
107.08553	0.6
109.02882	0.5
109.06516	2.1
109.10126	1.0
111.04464	1.0
111.08081	0.7
119.06072	1.7
121.06503	18.7
122.06849	1.6
123.08089	0.9
124.05221	3.2
124.05965	0.5
135.08041	4.9
136.08432	0.9
137.06006	0.5
138.06746	1.3
139.07541	17.9
139.08554	1.0
145.06421	0.5
151.07545	2.4
153.05467	1.7
153.09068	2.7
167.07042	23.0
167.08487	1.2
177.09122	1.4
178.07727	0.6
179.08615	1.2
181.08607	4.3
193.10149	1.7
195.08105	1.0
197.09541	0.7
208.08873	0.9
209.09592	1.3
210.10312	0.6
211.11131	0.6
219.17487	1.2
221.09528	0.9
222.10373	1.1
224.08313	1.2
225.09142	1.5
225.12746	1.0
226.09930	0.7
234.07010	0.5
235.07617	0.6
236.08289	0.6
237.09070	1.0
238.09903	2.2
239.10634	4.1
240.11533	3.5
241.12073	0.7
241.60793	0.5
245.10135	0.7
250.09959	1.1
251.10622	4.4
252.11433	1.5
253.08606	4.2
253.12166	3.5
254.09106	0.9
254.12997	7.9
255.10068	2.6
256.10745	2.6
256.26474	1.1
258.78598	0.5
265.12219	7.2
266.13095	0.8
267.10269	2.5
267.13831	5.0
268.10660	2.6
268.14536	0.9
269.11615	3.3
281.11584	0.8
290.12943	0.8
311.29346	1.1
326.12823	0.6
327.13968	0.7
329.11783	1.1
335.44205	0.5
341.15338	1.5
344.13977	0.8
345.14816	0.6
355.13010	0.7
357.11182	1.3
359.16409	2.1
371.12857	0.7
372.13571	1.5
373.14252	1.7
373.18286	2.5
386.15265	1.4
387.15839	3.6
388.16644	1.8
389.13739	6.1
401.17499	1.0
403.15250	3.6
404.16159	4.3
419.18552	3.4
512.25128	0.6
540.25061	100.0
540.52960	2.9
541.25543	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	540.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12307	0.7
67.05492	0.9
69.03442	0.7
69.23724	3.9
76.37544	0.7
79.05507	1.2
85.09235	0.6
88.07676	0.8
91.05486	6.2
93.07055	1.5
93.96461	0.7
95.04964	1.3
95.08593	0.7
103.05482	1.2
105.07040	6.7
106.07366	0.8
109.06547	1.0
120.05729	0.9
121.06500	8.9
122.06857	0.7
123.08110	0.7
135.08047	13.0
136.08405	2.5
151.07541	3.2
151.08615	0.7
179.08543	1.9
184.07391	1.2
196.08810	1.1
197.09769	0.8
201.09076	1.6
207.08185	2.1
209.09700	0.9
223.11182	2.2
224.08226	3.5
225.09143	3.3
226.09731	0.7
237.05576	1.0
239.10631	5.2
240.11345	1.8
241.11922	1.0
251.10599	0.8
252.07652	1.4
253.08502	3.7
254.09372	2.1
267.10159	25.0
268.10535	13.1
269.11679	5.3
305.11368	0.8
315.13763	1.5
316.14774	0.7
325.12094	1.0
326.13083	1.6
327.13959	1.0
328.10748	1.1
337.27255	1.2
339.10107	0.9
340.14462	1.0
341.15222	3.4
342.16299	1.5
343.13290	8.9
344.14050	1.5
354.12625	1.1
355.13339	1.8
355.17062	1.6
356.10275	1.0
358.15662	9.1
359.16418	1.4
361.14432	2.5
368.14224	1.1
369.14694	4.9
370.15686	2.0
371.12711	11.3
371.17010	0.7
372.13391	1.5
373.18039	8.8
374.11505	1.5
383.16559	2.2
384.17316	1.6
385.14502	0.8
386.15082	13.2
387.16013	1.7
389.13788	4.9
390.14819	0.8
391.18921	1.1
401.17468	23.7
402.17691	1.0
404.16135	18.0
405.16663	1.4
419.18658	3.7
419.44305	0.8
540.25061	100.0
540.53247	2.3
541.25696	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	540.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63452	0.3
63.94526	0.3
65.03911	0.3
67.05455	0.4
69.03396	0.5
69.19995	0.3
71.22597	0.3
72.19359	0.3
83.01312	0.3
91.05484	3.5
92.05783	0.4
93.07025	1.4
95.04927	0.5
105.06984	1.0
107.04930	0.4
109.06531	1.8
119.06030	0.3
121.06503	5.8
122.06799	1.2
123.08001	0.3
124.05181	0.9
125.05946	0.6
136.08417	0.4
137.05940	1.6
139.07535	9.8
142.07660	0.3
151.07527	1.7
153.05464	1.4
155.08522	0.7
161.05923	0.3
165.05496	0.6
165.06868	0.4
167.07045	11.7
167.08447	0.5
169.10071	0.4
178.07806	1.4
179.08495	1.5
183.11562	0.3
193.10100	4.4
194.10860	0.6
195.08060	0.6
196.08801	1.2
197.09570	0.5
199.07530	0.7
205.10156	0.7
206.07285	0.4
207.08092	1.9
208.08768	1.1
209.09578	0.5
210.10355	1.0
211.07541	0.5
211.11172	3.6
213.08876	0.3
221.09508	2.5
222.10422	2.0
223.11206	2.0
224.08327	4.6
225.08887	0.7
225.12741	2.3
226.09863	0.4
234.25058	0.3
237.12784	1.3
238.09845	2.1
239.10660	34.5
240.10947	1.1
241.12262	0.5
241.86327	0.3
249.08931	0.4
250.09990	0.6
251.10793	0.4
252.11526	0.4
253.08334	0.3
253.12209	7.2
254.13005	100.0
255.10226	0.5
255.13397	2.1
265.12262	4.5
267.10138	4.2
267.13684	0.9
268.10513	3.7
269.11728	1.5
270.12216	0.6
281.11707	0.6
325.12177	0.7
327.13895	0.4
342.16193	0.4
343.13300	0.6
354.12103	0.3
355.17007	0.7
356.10425	0.4
358.15714	0.8
369.15009	0.5
370.15369	0.4
371.12759	1.1
373.18179	1.5
385.13858	0.3
386.15018	2.0
387.15805	1.0
389.13708	0.6
401.17487	2.4
403.15259	0.6
404.16168	1.0
419.18549	3.2
522.21960	0.4
540.25055	68.7
540.53198	0.9
541.25464	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	540.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
57.07073	8.0
67.05492	3.4
68.98650	1.4
69.07049	3.1
70.06583	3.3
71.08624	6.8
79.05484	7.4
81.07049	3.0
83.08598	2.3
85.10202	1.7
87.04501	1.9
88.07629	5.7
89.06021	3.6
90.28362	1.9
90.51121	1.4
91.05475	7.1
93.07031	1.8
93.99313	1.4
95.04970	2.0
95.07675	1.5
95.08607	1.4
99.08056	1.8
102.09190	6.0
103.05472	3.6
105.07034	100.0
109.10128	1.8
117.07054	2.0
121.06529	8.6
124.93805	2.0
133.06487	2.5
135.08051	4.7
147.08069	7.5
173.87430	1.5
175.07458	3.3
196.59933	1.4
201.14865	5.5
208.08824	3.9
209.09700	2.8
217.15996	1.6
221.09688	9.2
223.11217	3.5
225.12721	4.5
231.13806	12.0
235.11264	2.2
245.15332	7.1
256.26334	14.8
283.26364	3.1
284.29419	3.7
295.22928	2.2
297.52368	1.8
305.18930	1.7
311.29462	12.9
323.20053	70.7
437.20401	2.5
455.21127	3.2
477.19598	3.6
505.33011	11.4
523.34167	22.6
524.34662	2.3
540.24640	2.3
540.53564	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01887	0.7
56.05031	1.2
59.61713	0.6
60.04525	1.9
60.90123	0.6
61.02935	1.4
68.05001	0.8
69.03431	2.6
69.18836	0.5
70.06603	3.0
71.04980	0.9
75.70156	0.6
80.05015	1.1
81.03397	3.7
82.06605	1.0
84.04504	35.6
85.04923	0.6
96.04491	16.1
97.02895	4.1
98.06058	9.1
99.04454	1.6
108.04470	0.9
109.02891	4.7
114.05529	1.1
126.05515	47.1
127.03928	2.8
127.05861	0.9
130.06523	9.9
138.05502	100.0
140.07071	0.6
144.06564	24.1
163.03850	0.6
168.06564	24.8
186.07619	24.6
192.50557	0.6
204.08678	77.1
205.08978	1.0
338.12125	0.7
355.45114	0.6
541.22894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92900	1.1
65.03940	4.5
66.99947	0.9
67.80973	1.2
69.47601	4.4
78.55215	1.1
79.05504	4.9
79.48131	1.1
86.36366	1.0
91.05481	61.9
93.07044	14.9
95.04973	4.0
103.05491	2.7
105.04523	1.6
105.07025	12.5
106.04189	1.5
107.04966	4.3
109.06519	11.6
119.06038	8.5
120.05722	2.3
121.02861	1.6
121.06510	100.0
122.06854	1.3
123.08057	5.0
131.04936	1.6
133.06487	1.2
135.04440	2.3
135.08058	31.0
136.05209	3.9
137.05988	4.3
139.07570	4.0
149.07066	1.2
150.06775	9.4
151.07542	26.8
161.05998	5.1
165.07028	1.2
165.09116	7.8
171.08054	1.5
173.09592	1.4
175.07556	1.6
179.08606	1.6
182.07153	1.2
183.08115	2.3
185.05946	1.2
189.09117	1.2
194.07314	1.3
194.22205	1.3
195.08170	1.7
196.08923	2.1
197.09724	2.2
201.09230	3.6
203.02625	1.1
209.09668	3.9
211.07533	2.9
212.08496	1.3
221.09735	1.2
223.07596	1.6
224.08420	5.9
225.09190	5.0
226.09859	2.2
227.10716	2.8
229.08629	1.9
235.11166	1.4
237.09215	3.8
238.06245	2.4
238.09889	2.2
239.06976	1.1
239.10664	6.0
241.08656	1.3
243.10010	1.6
244.30731	1.1
251.10985	1.3
253.08586	30.6
254.09256	5.6
255.10149	8.9
256.10995	6.5
263.10712	1.3
267.10165	9.5
268.10852	1.5
269.11774	9.8
270.12573	3.0
271.09641	1.3
271.13483	1.7
281.11871	3.2
285.11288	5.6
309.11252	4.6
313.12173	1.3
315.13660	1.7
316.10977	1.6
317.11807	1.5
328.10968	2.4
329.11743	2.7
330.12598	2.7
331.09613	1.7
342.12689	1.6
343.13425	4.6
344.10547	1.4
345.11209	2.7
345.14920	1.3
346.12155	2.5
355.13342	1.5
356.10101	1.3
357.10974	1.6
358.12015	3.3
359.12729	8.5
360.13474	2.7
371.12729	5.4
372.13556	10.1
373.14413	2.7
374.11478	7.2
375.12317	3.2
377.13788	1.7
385.14365	1.8
387.12448	3.0
388.13208	4.3
389.13837	51.3
390.14429	1.9
401.14011	1.6
403.15366	1.9
405.13501	3.2
417.17010	1.8
481.20160	4.5
491.18515	3.6
494.16803	1.3
509.19730	22.6
510.20401	38.4
511.19876	1.2
513.22717	3.7
523.20966	7.1
526.20465	2.1
541.22223	83.4
542.22754	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32661	1.7
65.03933	5.3
66.88839	1.6
66.95947	1.7
68.99785	2.3
69.72378	7.4
71.00040	2.0
79.05502	7.3
91.05484	37.1
92.64579	1.9
93.07042	4.6
95.04979	5.4
103.05473	7.0
105.03405	2.0
105.04514	3.8
105.07027	24.9
107.04953	5.4
109.06522	3.4
115.05444	3.1
117.07030	2.2
119.04988	5.6
120.05701	2.0
121.02864	24.5
121.06510	58.6
123.04443	8.7
123.08112	5.8
125.05995	5.0
130.04199	3.5
131.04927	2.9
132.05630	1.9
133.06470	3.8
135.04359	8.8
135.08075	17.9
137.05989	16.0
139.07553	6.4
145.06468	17.9
147.04416	92.3
149.06003	4.2
150.06766	40.9
151.07553	50.5
155.08572	1.8
160.38354	1.9
161.06000	15.7
163.07568	4.4
164.65480	1.7
165.07056	4.4
165.09122	39.8
167.08534	2.6
168.05736	2.2
175.07552	64.8
181.06566	2.5
182.07388	2.1
183.08092	3.1
184.08786	2.2
194.07210	2.2
195.08017	5.2
197.05795	2.4
197.09726	3.3
205.10104	2.2
207.08060	1.8
208.08815	2.5
209.09669	4.6
210.06827	4.5
211.07552	8.0
212.08374	4.6
213.05675	2.4
213.09216	3.0
221.05896	3.0
222.06783	2.2
223.07524	4.7
223.11159	4.2
224.08372	7.4
225.09122	8.0
226.09802	5.2
227.07123	3.3
227.10667	4.1
228.07681	2.0
237.09149	3.3
238.09885	1.8
239.07051	8.3
239.10712	5.3
240.07848	4.0
241.08598	6.5
241.12262	8.2
243.10164	4.5
253.08640	23.5
254.09415	19.7
255.06471	3.9
255.10146	49.7
256.10922	15.9
257.11783	3.4
267.10135	21.4
267.13235	2.1
267.14130	2.4
268.11026	2.0
269.11752	36.8
270.08923	6.6
270.11826	2.0
271.09708	5.5
285.11224	100.0
287.12799	3.8
329.11685	2.7
343.13333	2.5
345.11206	10.2
357.11288	6.0
358.12036	11.2
359.12778	6.1
362.27802	2.0
371.12585	10.4
372.13568	11.4
374.11591	2.3
387.12393	5.3
388.12604	2.3
389.13614	8.7
396.18536	1.8
397.37604	1.9
403.14709	8.9
403.19717	3.6
447.15369	2.1
457.19833	2.7
463.19122	3.3
474.75851	1.9
491.18524	10.7
509.19653	6.5
510.20023	5.9
523.13977	2.1
523.21295	29.1
541.22192	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	541.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
65.03909	1.4
71.44841	0.4
79.05482	2.5
80.14726	0.4
82.51788	0.4
91.05478	11.5
92.52760	0.3
93.07001	1.5
95.04969	2.9
103.05474	2.2
105.03402	0.6
105.04472	1.0
105.07032	6.8
107.04938	2.3
108.05807	0.4
109.06521	1.7
115.05441	1.2
117.07027	0.5
119.04912	1.4
119.06020	1.2
120.05700	1.0
121.06506	20.5
123.04489	1.7
123.08076	3.2
125.05975	0.4
130.04126	1.2
131.04904	1.4
132.05235	0.5
133.06479	1.2
135.04416	5.6
135.07048	0.6
135.08051	9.5
137.05983	3.5
139.07539	2.5
141.07047	0.5
144.05751	0.3
145.06474	3.1
147.04413	15.7
147.05594	0.8
147.08046	1.0
149.05966	1.4
149.07048	0.7
150.06758	19.9
151.07544	16.2
152.06184	0.8
153.06929	0.6
155.08530	0.6
157.06528	0.5
158.07246	0.7
159.08070	0.9
160.05168	0.5
161.05962	2.4
162.06766	0.6
163.07515	1.5
165.06940	1.4
165.09123	15.7
166.07761	1.0
166.09346	0.4
167.08565	2.2
168.05727	0.6
169.06487	1.2
169.10042	0.4
171.08040	2.3
173.07199	0.4
175.07549	9.2
175.09067	0.6
178.07748	0.8
179.08571	1.7
181.06473	1.5
181.10081	0.7
182.07204	1.1
183.08083	3.8
184.08839	1.5
185.05954	0.8
185.09569	0.9
187.07642	0.5
193.10098	0.4
194.07257	2.5
195.08069	6.0
196.08823	3.8
197.05956	1.8
197.09605	2.4
198.06737	1.6
199.07516	1.0
199.11194	1.2
201.09067	0.6
206.07285	0.5
207.07982	0.6
208.08754	0.5
209.09612	3.9
210.06744	1.4
211.07516	5.5
211.11208	1.1
212.08318	7.7
213.05565	0.7
213.09058	2.7
219.08038	0.7
221.06007	0.7
221.09727	0.6
222.06754	1.0
223.07532	1.7
224.08296	3.2
225.05600	0.4
225.09073	3.5
226.06219	0.4
226.09801	1.1
227.07005	1.1
227.10666	18.7
228.07751	1.5
228.11124	0.8
235.07605	0.4
237.09070	3.0
238.09857	1.5
239.07033	3.1
239.10646	2.2
240.07816	3.2
240.11455	0.4
241.08603	16.4
241.12257	0.8
242.09311	0.7
243.10149	2.4
251.10641	0.7
252.07774	0.8
253.08568	5.3
254.09346	7.0
255.10156	100.0
256.10928	55.5
257.11450	1.5
267.10156	5.7
268.11002	0.5
269.08710	0.7
269.11740	10.8
270.08920	1.1
271.09579	2.7
279.09857	0.5
283.09616	0.7
285.11215	17.2
286.11823	1.1
287.12878	0.7
289.08752	0.4
298.83902	0.4
301.08609	0.4
301.12122	0.6
302.09457	0.7
307.09741	0.4
313.12219	0.8
314.09256	0.8
315.10114	1.6
315.13644	0.4
316.11011	0.7
317.11734	1.2
327.10065	1.3
328.10898	1.3
329.08142	0.8
329.11728	3.6
330.08884	0.6
330.12390	2.7
331.13284	0.9
340.10986	1.0
341.11725	4.1
342.08789	0.6
342.12460	1.8
343.09610	3.1
343.13446	1.4
344.10309	1.2
345.11200	39.7
346.11615	1.4
355.09598	0.4
355.13370	2.5
356.10452	2.6
357.11182	10.5
357.14731	0.4
358.11981	41.7
359.12762	8.9
360.13525	0.5
361.10675	2.9
369.11057	0.7
371.12787	13.8
372.13446	4.8
373.10641	2.1
373.14566	0.9
374.11511	1.7
375.12256	1.8
377.13773	0.6
379.15543	0.7
385.14316	0.5
386.15158	0.5
387.12296	1.7
388.13031	3.1
389.13864	4.9
401.13611	0.4
403.15417	7.3
405.13251	0.8
433.16507	0.6
477.16968	1.5
479.13675	0.8
479.19537	5.4
481.20010	1.2
491.18320	0.5
493.20255	0.5
494.17075	0.5
495.18164	1.0
509.19601	55.7
510.20215	7.7
513.22919	0.6
523.21045	4.1
526.19861	1.3
541.22192	25.3
542.22614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.05505	1.4
65.03937	4.5
66.66212	1.0
67.05492	2.0
69.59311	1.2
69.66678	4.1
79.05497	6.8
79.98478	1.2
85.39603	1.1
86.09696	5.5
91.05479	63.0
93.07043	15.9
95.04971	5.3
95.08633	1.9
95.91383	1.0
98.22729	1.4
99.40904	1.1
103.05489	3.5
104.10754	19.5
105.03440	1.3
105.04532	2.4
105.07021	14.4
105.11090	3.3
107.04968	3.2
109.06512	14.8
119.06056	9.2
120.05735	2.2
121.06504	100.0
123.08101	6.2
133.06570	1.2
135.04436	1.8
135.08052	37.0
136.22760	1.2
137.05980	2.4
139.07544	3.0
145.06479	1.9
146.98201	4.4
149.09612	1.2
150.06752	10.7
151.07536	27.1
165.09123	7.9
171.08012	2.7
181.06508	1.7
195.08188	2.9
199.07486	1.6
209.09657	3.1
211.07596	2.1
211.11185	1.6
224.08362	3.3
225.09155	4.4
235.07588	1.5
237.09154	3.8
239.10710	3.5
240.07785	1.6
253.08755	3.2
254.09416	3.6
255.10204	4.6
257.11783	1.6
261.12939	1.5
266.09262	1.6
267.10037	6.4
269.08643	1.1
269.11697	6.7
270.08987	3.1
270.12479	2.6
271.09680	1.8
281.11783	2.6
285.11249	5.2
299.10336	1.3
307.09735	1.6
315.10022	1.6
317.11731	2.8
327.10617	1.2
329.11838	2.5
330.12543	4.6
331.13257	1.4
342.12524	5.1
343.13345	3.1
344.10623	1.6
345.11246	8.9
347.04202	1.3
357.11380	2.4
358.12045	14.6
359.12723	3.1
360.13730	2.6
361.14636	1.8
363.12076	1.2
371.12787	8.6
372.13477	4.3
373.10803	3.5
374.11417	7.6
387.12183	3.9
388.13123	3.9
389.13794	27.0
403.15588	3.2
405.13507	2.3
451.63879	1.2
462.39337	1.2
463.18237	1.4
477.17218	1.3
481.19366	7.0
482.23773	9.1
491.18729	2.1
493.20346	3.7
509.19601	33.9
510.20300	21.5
513.22919	2.7
523.21051	3.3
526.19855	1.6
541.22247	75.3
541.31000	5.2
542.22620	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	541.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19760	0.2
57.07071	0.5
61.98814	0.2
67.05504	0.6
69.07076	0.3
69.64021	0.4
69.64417	0.5
70.06589	0.5
71.08627	0.3
79.05495	0.3
81.07059	0.5
81.87353	0.2
83.08646	0.3
86.09686	0.3
88.07656	0.4
93.07056	0.3
102.09203	0.4
105.07037	0.3
121.10161	0.2
173.62248	0.2
185.04242	0.5
198.39157	0.2
203.05350	0.9
219.17035	0.2
252.02405	0.3
256.26495	1.1
257.26797	0.2
259.07980	0.5
311.29562	1.0
312.30118	0.4
433.12390	0.2
540.53650	1.6
541.33484	100.0
542.33746	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	541.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.9
57.20936	0.3
63.24022	0.3
67.05506	0.4
69.74314	1.3
70.06596	0.8
79.05476	0.6
81.07069	0.5
88.07634	0.7
91.05481	0.9
93.07030	0.4
98.23363	0.4
102.09229	0.8
105.07064	0.7
121.06533	1.1
135.08086	0.9
136.06198	0.6
151.02815	0.3
185.04306	0.4
256.26398	1.3
257.26801	0.4
283.26471	0.5
311.29581	1.1
312.29688	0.5
334.25165	0.4
429.99957	0.4
540.53436	2.7
541.33478	100.0
541.53937	1.8
542.33789	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	541.371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65321	0.4
69.14591	2.2
101.43703	0.5
152.25313	0.4
184.63326	0.4
208.43161	0.4
288.17358	0.4
356.72314	0.4
404.75714	0.4
441.97455	0.4
463.92130	0.4
541.37103	100.0
542.37567	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28577	1.4
70.06583	0.3
84.92663	0.3
129.73366	0.3
130.02963	0.2
238.89095	0.3
293.91147	0.3
525.92224	0.3
540.53223	0.7
541.37115	100.0
542.37482	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4773
Annotation	Tetrahydro-beta-carotene/ eta-Carotene
Peak:m/z	Relative Intensity
55.05515	19.8
57.07078	13.5
65.03922	3.4
67.05511	27.7
69.06721	2.8
69.07074	48.1
69.11117	2.6
69.38436	7.0
69.38832	4.6
70.06605	2.5
71.08598	3.2
79.05489	24.5
81.07063	100.0
83.08622	15.5
83.91510	2.3
88.07623	5.9
91.05492	17.2
93.06521	4.1
93.07051	47.6
93.84098	2.4
95.04983	3.4
95.08035	4.4
95.08611	63.4
97.10167	6.3
105.07040	42.3
107.07856	2.7
107.08599	53.6
109.10166	53.1
111.11731	3.5
117.07011	4.8
119.08593	47.7
121.10159	39.2
123.11720	24.9
131.08551	17.4
133.10109	26.6
135.11710	20.5
137.13251	8.5
143.08572	8.8
144.09373	3.6
145.10126	25.8
147.11690	23.2
149.13223	16.1
155.08536	3.5
157.10092	15.1
159.11696	31.5
161.13306	11.9
163.14819	7.7
169.10083	9.1
171.11758	12.8
173.13277	21.0
175.14804	17.6
177.16328	7.6
183.11731	8.5
185.13200	11.0
187.14859	13.8
189.16368	11.5
191.17995	5.1
195.11772	4.0
197.13277	7.2
199.14804	7.4
201.16377	11.4
203.17906	6.5
207.11636	2.8
209.13220	4.7
211.14809	8.2
213.16380	9.0
215.17990	6.6
223.14899	5.5
225.16469	5.5
227.17998	7.5
229.19504	4.7
239.17876	7.3
241.19496	6.9
243.20934	4.7
251.17931	3.1
253.19548	5.5
255.21136	3.9
257.22589	5.2
267.21127	3.9
283.24155	6.5
323.27200	5.7
335.27188	4.9
351.30307	4.2
391.33801	4.6
443.48526	2.6
459.39767	3.7
541.47418	94.7
541.54156	13.7
542.48047	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	541.4774
Annotation	Asymmetrical zeta-carotene/ Asym. zeta-carotene/ 7,8,11,12-Tetrahydrolycopene
Peak:m/z	Relative Intensity
51.02372	2.6
53.07097	2.5
55.05507	13.4
57.07069	10.7
67.05508	28.9
69.06716	3.4
69.07071	49.2
71.08609	3.0
71.09167	3.1
76.80335	2.5
79.05527	14.8
81.07059	86.6
83.08606	12.2
88.07647	3.0
90.28391	2.7
90.95469	2.6
91.05470	17.5
93.07048	38.5
95.04958	3.2
95.08611	59.8
95.61849	2.5
97.10182	6.5
105.07043	37.4
107.08599	50.9
109.10162	51.3
117.07002	4.6
119.08586	38.5
121.10152	41.8
123.11723	25.6
129.07014	2.8
131.08582	18.0
133.10159	23.8
135.11743	25.4
137.13274	10.3
143.08571	9.1
145.10110	22.7
147.11688	24.2
149.13260	15.4
150.36301	2.5
157.10133	18.1
159.11719	23.7
161.13260	19.0
163.14803	12.5
169.10085	6.1
171.11676	13.6
173.13304	20.3
175.14844	11.2
177.16383	9.6
183.11642	5.4
185.13275	13.8
187.14851	10.4
189.16330	10.5
191.17804	2.9
197.13292	4.1
199.14870	12.8
201.16403	14.3
203.17935	9.0
205.19572	3.5
209.13159	3.6
211.14857	5.6
213.16389	7.8
215.17944	10.7
225.16429	3.3
227.17934	3.9
229.19528	6.5
231.21016	3.3
237.16396	3.3
239.17987	6.0
241.19533	9.0
243.21100	5.9
251.17941	3.8
255.20998	3.7
256.26425	4.9
257.22662	5.7
257.26660	3.9
267.21027	3.8
269.22635	5.6
271.24152	3.2
273.60925	2.8
279.20825	3.2
281.22379	4.0
283.24017	5.6
312.29782	3.6
323.27206	4.8
337.28967	3.9
351.30368	4.0
391.33588	3.4
459.39532	4.8
485.41183	4.0
541.47412	100.0
541.54065	11.0
542.47931	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	541.4771
Annotation	all-trans-zeta-Carotene
Peak:m/z	Relative Intensity
55.05511	18.3
57.07080	10.4
63.00817	2.4
67.05165	2.4
67.05505	37.1
69.07069	50.5
69.12710	16.4
70.06581	3.8
79.05502	19.8
81.07063	100.0
83.08624	19.6
83.58669	2.0
85.04474	2.2
88.07642	4.4
91.05484	23.8
93.07050	50.7
95.04961	4.1
95.08606	82.2
97.10159	9.0
98.23428	5.1
102.09200	4.0
105.07026	47.4
107.08598	65.2
109.10159	71.2
111.11703	4.0
117.07027	7.6
119.08582	45.7
121.10139	54.6
122.10484	2.2
123.11712	31.5
125.13449	2.1
129.07019	4.0
131.08575	19.8
131.97292	2.6
133.10130	36.2
135.11702	36.4
137.13243	10.4
142.07722	2.6
143.08565	9.1
145.10130	31.0
147.11688	39.8
149.13268	25.8
151.14803	3.3
155.08572	5.9
156.09335	2.7
157.10139	20.9
159.11696	38.0
161.13268	26.7
163.14841	12.5
169.10130	6.9
171.11700	20.2
173.13248	25.6
175.14819	15.9
177.16411	7.9
183.11697	9.6
184.12444	3.2
185.13269	18.7
187.14833	19.8
189.16435	13.3
191.17886	4.3
195.11676	3.7
197.13290	9.3
199.14795	15.0
201.16357	13.2
203.17975	7.9
207.11736	3.0
209.13205	5.7
211.14838	13.2
213.16397	12.3
215.17982	11.5
217.19455	3.5
223.14867	4.9
225.16364	7.6
227.17947	7.0
229.19527	7.6
231.21062	2.4
237.16412	4.7
238.70178	2.4
239.17903	5.1
241.19501	8.6
243.21111	5.7
253.19681	5.5
255.21083	6.3
256.26492	3.6
257.22714	4.7
257.26770	6.4
267.21051	3.0
269.22641	3.7
271.89291	2.3
283.24130	3.2
285.29932	2.8
295.24103	4.6
297.25699	2.5
309.25919	4.3
311.29596	4.4
312.30035	4.0
321.25784	2.5
325.29224	2.9
335.27426	2.8
337.28903	4.5
349.28983	2.4
363.30444	4.4
389.32431	2.7
448.67749	2.5
471.39636	3.9
485.41217	4.5
541.47559	100.0
542.48096	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	542.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44936	0.5
55.01869	1.1
57.03436	1.1
61.02925	1.4
61.89523	0.5
65.03930	0.7
67.05505	0.8
69.03431	3.7
69.78851	0.5
69.79211	1.9
70.06584	1.3
73.02921	0.8
81.03423	2.2
85.02911	16.0
85.03417	1.1
87.04464	0.9
90.11740	0.5
91.03960	1.0
93.03376	0.8
95.04964	4.4
97.02888	5.9
109.02883	3.0
111.00796	1.0
115.03889	0.5
121.02880	0.6
123.04433	11.1
124.05206	1.0
125.02367	2.1
125.05990	0.6
126.03151	4.8
127.03945	4.1
137.02434	0.9
140.04660	2.8
141.05470	23.5
142.05751	0.6
145.04955	6.3
151.03929	1.0
153.01888	2.7
154.02637	2.3
155.03459	0.9
155.07025	2.2
163.06017	2.1
168.04198	8.4
169.04967	87.9
170.05728	4.5
171.02913	4.3
175.28673	0.6
180.08641	0.7
181.04961	0.6
183.06537	21.1
186.05252	8.8
201.07585	100.0
202.07892	0.7
213.98456	0.5
242.88698	0.5
266.33621	0.5
293.56342	0.5
309.09763	0.5
391.07275	0.6
417.51349	0.5
542.21783	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	542.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43039	0.8
53.03946	2.9
55.01873	3.7
55.05516	0.9
57.03442	2.9
61.02934	1.8
68.99816	1.5
69.03432	12.2
69.19714	3.3
69.20113	1.7
71.04986	1.5
73.02919	2.9
79.05516	1.9
81.03413	9.5
85.02909	30.5
87.00830	12.2
91.05481	58.5
95.04956	1.0
97.02887	15.3
97.85905	0.9
99.04467	6.1
105.01864	10.5
105.07043	20.6
107.08606	2.4
109.02891	11.9
109.06551	2.4
117.01920	1.5
117.07028	4.1
121.06465	1.2
123.08060	1.8
123.26013	0.9
127.03914	21.8
129.01889	0.9
129.07004	2.5
131.08614	1.3
135.08073	2.7
136.11194	6.1
137.05945	1.0
141.06996	2.9
143.08586	3.6
145.04973	10.9
147.02885	1.6
153.07048	1.3
155.08571	4.6
156.15883	1.1
157.10176	1.9
159.02869	5.6
163.07507	0.8
165.06995	6.0
166.07834	3.0
167.07062	4.0
167.08571	3.7
169.10121	1.9
171.11705	1.8
179.08572	1.6
180.09354	4.8
181.10077	9.1
185.09639	2.0
185.13293	1.1
193.10094	1.4
195.11703	14.0
197.09666	2.6
198.10373	1.0
199.11220	1.9
208.08849	1.4
213.03973	1.6
213.12746	39.2
223.11176	9.8
231.05042	6.9
231.13794	10.4
235.15642	1.9
241.12231	38.3
249.06099	1.0
259.13297	100.0
260.13644	2.1
312.92514	0.9
403.87643	1.1
542.30273	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	542.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
67.05484	0.2
70.06605	0.4
79.05495	0.8
80.05036	1.0
81.07067	0.8
89.88802	0.2
90.34245	0.2
91.05485	1.1
91.56239	0.2
93.07047	0.3
94.06579	0.3
95.04992	0.2
95.08633	0.2
97.06524	0.3
98.06087	0.3
105.07044	1.9
106.06581	0.6
107.08593	0.6
108.08133	0.5
109.06525	0.7
110.09684	0.3
117.07019	0.4
118.06541	0.5
119.08589	0.8
120.08123	0.6
121.08904	0.4
122.09691	0.6
124.07600	0.4
125.05974	0.4
126.09172	0.3
128.07106	0.4
129.07030	0.4
130.06535	0.3
131.07275	0.2
131.08540	0.5
132.08081	1.2
133.06493	0.5
134.09697	0.8
138.09126	0.3
143.08517	0.4
144.08096	0.7
146.09605	1.2
146.41467	0.2
148.07573	0.5
148.11192	0.3
150.09123	1.8
156.08081	0.5
156.10188	0.3
157.10059	1.1
158.09665	1.4
159.10449	0.3
160.11221	0.9
162.09122	0.6
164.10727	0.4
167.36469	0.2
169.08867	0.3
170.09607	1.1
171.10393	0.5
172.11234	0.4
174.09113	0.4
174.12791	0.8
175.09845	0.3
176.10690	1.0
177.11525	0.5
182.09691	0.3
183.10532	0.3
184.11212	3.2
185.11809	0.3
185.13277	0.4
186.12766	0.3
188.10681	2.3
190.12335	0.3
200.10686	0.2
202.12260	3.8
202.15865	0.3
203.12958	0.3
208.13367	0.5
212.14296	2.1
213.12808	0.4
214.12346	0.4
222.25749	0.2
228.13908	0.2
230.11646	0.2
230.15384	3.7
231.13753	0.3
232.13380	0.4
240.13844	1.7
248.16391	1.0
256.13303	1.5
257.29218	0.2
258.14896	7.4
274.14157	0.3
276.15939	100.0
277.16260	2.8
304.15414	75.8
305.15787	1.7
319.00143	0.2
397.83554	0.2
404.33786	0.2
458.92139	0.2
542.23853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
67.05492	0.4
69.64326	0.8
79.05485	0.7
80.05006	0.7
81.07035	0.8
91.05470	1.1
93.06998	0.3
94.06568	0.5
95.08595	0.3
96.08104	0.3
97.06493	0.2
98.06048	0.4
98.23386	0.5
105.07024	2.4
106.06542	0.4
107.08597	0.6
108.08103	0.5
109.06519	0.7
110.09637	0.3
112.07560	0.2
117.06982	0.5
118.06540	0.3
119.08550	1.1
120.04449	0.3
120.08055	0.5
121.06486	0.2
121.08900	0.4
122.09647	0.8
124.07585	0.4
125.06006	0.4
126.09135	0.4
128.07066	0.4
129.06931	0.3
131.08539	0.3
132.08081	1.3
133.06454	0.5
134.09650	0.7
143.08534	0.5
144.08060	0.6
146.09618	1.3
148.07567	0.4
150.09125	1.9
156.08107	0.5
156.10220	0.3
157.10117	0.9
158.09613	1.8
159.10422	0.3
159.11678	0.2
160.11195	1.0
162.09119	0.6
169.08809	0.3
170.09637	1.2
171.10376	0.3
172.02554	0.3
172.11214	0.6
174.09090	0.4
174.12738	0.7
175.09807	0.2
176.10677	1.0
177.11414	0.4
182.09662	0.4
184.11183	3.3
185.13287	0.5
188.10678	2.6
190.12318	0.5
202.12268	4.0
208.13348	0.6
212.14308	2.3
213.12700	0.3
214.12207	0.4
220.13474	0.3
228.13762	0.4
230.15364	3.7
231.13795	0.3
232.13330	0.4
240.13773	1.7
248.16441	0.9
256.13364	1.7
258.14917	7.7
274.14328	0.5
276.15930	100.0
277.16266	3.1
304.15408	75.0
305.15836	2.4
522.19342	0.3
542.23334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01875	3.8
57.03437	4.8
61.02929	9.7
66.10476	0.7
67.05504	1.4
69.03432	28.0
69.07074	7.1
70.01169	1.9
71.04993	2.4
73.02917	8.0
77.54915	0.8
79.05490	0.8
81.03422	19.3
81.07061	1.6
83.01349	1.3
85.02908	100.0
87.04465	25.0
91.03957	6.4
91.05411	1.0
94.06532	1.1
95.08591	0.9
96.08115	1.1
97.02898	34.9
98.23371	1.0
99.04453	8.2
99.17476	1.0
101.02392	1.4
103.03969	1.0
107.08633	0.9
109.02879	15.3
109.06511	1.4
109.10163	0.8
115.03936	98.7
120.08136	1.2
121.10130	1.1
123.04445	1.1
127.03916	50.3
133.04968	49.2
142.12303	1.0
145.04965	54.9
157.04953	2.2
161.06071	0.9
163.06000	11.6
175.06039	1.5
186.11333	1.1
228.57329	0.8
241.07056	8.1
244.28607	0.9
249.07610	5.3
253.07162	0.9
257.26761	0.9
259.08145	17.2
277.09186	58.7
278.09424	1.2
292.19269	1.8
294.20688	2.3
317.08389	1.5
414.22693	2.5
454.06909	1.0
525.23187	1.8
542.27606	17.1
543.23907	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	542.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
53.88702	1.9
55.05508	10.2
57.03442	10.7
57.07082	5.0
59.05004	2.5
61.79597	2.0
65.03963	2.3
67.05507	100.0
69.03433	2.6
69.07063	9.3
69.86130	5.9
71.04996	2.8
71.08624	3.1
79.05496	34.8
81.03413	2.5
81.07061	42.3
83.05011	1.8
83.08617	11.6
85.06539	1.9
86.09747	2.0
91.05477	20.2
92.18515	1.7
93.07045	40.2
95.04989	4.9
95.08603	32.3
97.06528	3.1
97.10188	2.9
98.22748	3.6
99.08080	4.4
105.07013	13.1
107.04987	2.9
107.08591	23.8
109.10160	60.1
111.08098	4.9
117.07040	8.0
119.08604	14.1
121.10139	14.2
123.11716	3.4
125.09634	3.0
129.07056	2.0
131.08536	11.4
133.10129	5.4
135.08086	2.5
135.11708	15.4
137.09659	1.8
137.13286	2.9
143.08661	1.8
145.10120	13.0
147.11702	4.8
149.13295	8.2
155.10742	4.5
159.11742	4.6
161.13188	4.4
163.11159	10.7
163.14859	6.5
171.11719	1.9
173.11755	15.3
173.13246	5.0
175.35081	1.8
177.16455	2.1
187.14847	3.7
189.11229	2.4
199.58388	1.9
201.16365	2.1
227.12776	28.5
229.14355	84.9
243.21030	13.3
261.22150	25.7
317.24820	4.1
335.25790	48.3
397.30884	2.0
471.34576	1.9
489.35825	36.3
507.36523	2.6
541.53589	4.0
542.33832	38.2
542.53937	4.3
543.36938	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	542.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10760	1.5
55.05512	3.3
57.07077	38.0
67.05521	1.4
69.07077	2.6
71.08630	21.0
71.09285	1.1
73.06570	5.9
79.05497	2.8
81.07074	2.0
83.08602	1.7
85.10186	18.5
87.04476	5.7
89.06033	100.0
91.05480	8.9
93.07062	3.3
97.10178	3.1
98.23527	2.1
99.11749	4.0
102.90154	1.1
103.05461	2.0
105.07005	7.6
106.07351	1.2
107.07077	1.2
107.08625	1.4
109.06520	3.0
117.09139	5.6
121.06518	16.0
130.08652	2.7
131.07033	2.0
133.08601	55.8
135.04376	1.1
135.08052	23.0
135.10175	1.4
136.08395	2.1
137.05957	1.9
139.06290	1.6
150.06775	2.1
151.07556	2.4
155.17920	6.9
161.11745	1.5
165.09120	2.3
167.07059	1.8
177.11214	24.0
181.08553	1.6
199.20596	4.3
221.13838	4.6
239.14835	2.1
240.11064	1.4
243.23216	13.1
255.09854	1.3
260.12827	5.3
269.11520	1.4
283.17377	1.7
287.25671	7.5
322.44537	1.2
327.20117	2.2
371.22739	9.6
525.40106	14.8
542.25403	14.4
542.34814	4.8
542.42145	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01030	1.4
56.96560	14.5
59.45473	1.2
65.16921	1.3
69.57835	4.4
84.96008	3.3
85.11828	1.4
97.56283	1.2
98.22626	1.5
98.97578	51.8
100.62432	1.6
110.97570	22.4
112.99220	1.9
116.98615	9.9
119.01965	1.9
124.99114	1.9
128.98613	16.8
134.22221	1.3
140.98581	5.6
143.00154	10.4
146.99643	3.3
152.98587	3.3
155.00148	19.3
157.01743	3.4
158.99648	15.2
161.01233	4.3
170.99658	20.0
173.01222	65.4
175.02791	4.8
177.00702	9.4
182.99654	21.0
189.00687	12.1
191.02272	36.2
191.03928	2.7
193.03824	1.6
201.00710	51.5
207.01814	1.6
209.03363	2.4
213.00732	4.5
215.02260	36.1
215.04124	3.2
219.01773	51.2
233.03304	14.2
237.02794	19.9
243.01714	21.9
245.03209	2.0
255.03896	1.7
260.71848	1.4
261.02805	100.0
262.00040	1.4
262.03214	1.7
273.02774	8.6
279.03879	37.1
291.03848	22.9
299.04446	1.3
301.04416	2.0
303.03882	16.1
315.03748	2.3
317.05493	8.4
321.04950	23.6
327.03424	1.6
333.04880	6.7
345.04941	8.9
349.30972	1.4
351.05878	3.3
363.05948	41.8
373.02832	1.9
381.07147	23.9
383.02008	4.1
387.06134	2.1
399.08060	2.7
401.02420	6.9
405.07129	2.4
437.68884	1.5
525.11261	93.6
526.11414	2.1
543.13025	38.6
551.30719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27498	0.6
56.94117	0.6
57.08335	0.6
60.81033	0.6
69.91613	0.6
87.90378	0.5
98.23516	1.4
118.15744	0.6
232.12053	0.6
304.94107	0.6
363.06857	5.8
381.07916	6.1
523.97095	0.7
543.13220	100.0
544.14001	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57905	0.2
71.37463	0.3
73.58366	0.2
79.60349	0.2
115.81764	0.2
363.06885	5.5
381.07944	7.1
543.13214	100.0
544.13617	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	543.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01986	0.7
55.01868	3.5
61.17933	0.7
70.59481	1.7
79.05492	6.8
86.06604	0.7
89.03900	1.5
90.04685	0.9
91.05488	4.3
93.07031	1.0
95.04941	1.9
103.05464	13.3
104.10796	0.7
105.07032	74.8
106.07379	1.0
107.04957	1.7
115.05453	15.1
118.04152	6.6
121.06528	4.5
131.04932	9.4
132.05728	1.3
133.06488	71.1
143.05016	2.0
143.06024	6.8
145.02815	1.0
148.05212	2.2
149.05995	9.3
159.04451	1.1
161.05980	100.0
162.06529	1.7
163.07532	3.6
168.94383	0.8
176.04456	12.0
177.05499	8.8
179.07118	1.2
184.04967	8.7
185.05765	5.6
191.07034	19.0
193.08611	42.8
209.08084	6.5
215.06787	66.6
216.07301	1.0
217.60181	1.0
230.05524	2.0
231.06337	6.9
256.09482	1.3
274.08218	2.2
290.07678	1.4
291.08380	20.2
356.54520	0.9
381.13010	1.8
403.34082	0.8
483.16263	17.4
543.18121	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	543.2381
Annotation	Cochinchinenin C
Peak:m/z	Relative Intensity
55.01871	0.7
56.69875	0.7
57.07068	0.8
65.03936	2.8
70.06585	1.6
70.82969	0.7
77.03925	1.0
79.05486	3.9
81.07024	0.7
88.07630	1.2
91.05481	26.7
93.07043	9.7
95.04971	2.5
102.09184	1.4
103.05467	2.9
105.03385	2.0
105.07029	12.3
106.47220	0.6
107.04983	3.8
108.05710	1.0
109.06521	8.0
119.05107	0.9
119.06067	6.7
120.05714	1.7
121.06505	100.0
122.06805	1.5
123.04417	1.0
127.48351	0.6
128.06261	0.9
129.07007	1.2
135.04434	1.7
135.08052	48.4
137.06027	4.0
139.03885	1.9
141.06982	3.1
147.07993	1.2
149.02348	1.2
149.05988	7.6
150.06761	4.8
151.07562	4.6
153.06982	1.5
154.07732	3.4
155.08565	2.2
157.06488	5.3
158.07277	1.4
165.07016	2.2
165.09117	2.9
166.07735	1.0
167.08607	1.4
169.10124	3.5
171.08037	0.8
177.05472	2.1
178.07802	1.9
179.08548	8.8
181.06496	2.2
181.10155	1.2
182.07222	4.5
183.08075	2.8
185.05992	2.6
186.06776	1.1
193.10100	1.3
195.08087	1.8
196.08856	3.5
197.09618	15.9
198.10339	2.9
199.07555	0.9
207.08081	2.6
208.08852	1.0
209.09645	2.5
210.06776	5.3
211.07533	5.3
211.11168	3.2
212.08133	1.0
213.09068	1.3
215.10669	1.9
221.09584	0.9
222.53133	0.7
223.07501	1.3
224.08324	4.1
225.09100	41.8
226.09772	5.0
227.07040	2.4
227.10652	8.7
228.07814	3.0
228.23302	4.2
229.12265	1.0
229.23587	2.5
235.07584	0.7
237.09160	1.7
238.06229	0.9
238.09872	1.6
239.07063	1.0
239.10672	10.1
240.07726	1.4
240.11375	1.0
241.08641	2.4
241.12250	0.8
242.09349	5.6
243.10164	18.8
245.11787	0.9
253.08589	83.7
254.09224	8.4
255.10168	7.3
256.10919	1.0
257.11728	37.6
258.12476	18.7
259.13251	2.3
267.10217	3.0
269.11642	3.4
270.08871	4.2
270.12158	1.1
273.11304	3.0
277.08710	0.8
285.11206	37.6
286.11789	1.8
339.33902	0.7
341.10245	2.9
342.10309	3.4
385.14426	0.7
403.15503	5.4
442.24844	0.9
467.19437	0.8
483.21609	0.9
493.19992	2.8
511.21158	19.7
512.21594	1.2
525.22662	2.1
543.23486	10.1
543.31506	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	543.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.69875	0.7
57.07068	0.8
65.03936	2.8
70.06585	1.6
70.82969	0.7
77.03925	1.0
79.05486	3.9
81.07024	0.7
88.07630	1.2
91.05481	26.7
93.07043	9.7
95.04971	2.5
102.09184	1.4
103.05467	2.9
105.03385	2.0
105.07029	12.3
106.47220	0.6
107.04983	3.8
108.05710	1.0
109.06521	8.0
119.05107	0.9
119.06067	6.7
120.05714	1.7
121.06505	100.0
122.06805	1.5
123.04417	1.0
127.48351	0.6
128.06261	0.9
129.07007	1.2
135.04434	1.7
135.08052	48.4
137.06027	4.0
139.03885	1.9
141.06982	3.1
147.07993	1.2
149.02348	1.2
149.05988	7.6
150.06761	4.8
151.07562	4.6
153.06982	1.5
154.07732	3.4
155.08565	2.2
157.06488	5.3
158.07277	1.4
165.07016	2.2
165.09117	2.9
166.07735	1.0
167.08607	1.4
169.10124	3.5
171.08037	0.8
177.05472	2.1
178.07802	1.9
179.08548	8.8
181.06496	2.2
181.10155	1.2
182.07222	4.5
183.08075	2.8
185.05992	2.6
186.06776	1.1
193.10100	1.3
195.08087	1.8
196.08856	3.5
197.09618	15.9
198.10339	2.9
199.07555	0.9
207.08081	2.6
208.08852	1.0
209.09645	2.5
210.06776	5.3
211.07533	5.3
211.11168	3.2
212.08133	1.0
213.09068	1.3
215.10669	1.9
221.09584	0.9
222.53133	0.7
223.07501	1.3
224.08324	4.1
225.09100	41.8
226.09772	5.0
227.07040	2.4
227.10652	8.7
228.07814	3.0
228.23302	4.2
229.12265	1.0
229.23587	2.5
235.07584	0.7
237.09160	1.7
238.06229	0.9
238.09872	1.6
239.07063	1.0
239.10672	10.1
240.07726	1.4
240.11375	1.0
241.08641	2.4
241.12250	0.8
242.09349	5.6
243.10164	18.8
245.11787	0.9
253.08589	83.7
254.09224	8.4
255.10168	7.3
256.10919	1.0
257.11728	37.6
258.12476	18.7
259.13251	2.3
267.10217	3.0
269.11642	3.4
270.08871	4.2
270.12158	1.1
273.11304	3.0
277.08710	0.8
285.11206	37.6
286.11789	1.8
339.33902	0.7
341.10245	2.9
342.10309	3.4
385.14426	0.7
403.15503	5.4
442.24844	0.9
467.19437	0.8
483.21609	0.9
493.19992	2.8
511.21158	19.7
512.21594	1.2
525.22662	2.1
543.23486	10.1
543.31506	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	543.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71097	0.2
53.73567	0.2
53.97485	0.2
55.05506	0.4
55.72718	0.2
63.88714	0.2
67.05501	0.4
69.03422	0.6
69.07067	0.8
70.26598	0.2
71.08646	0.3
79.05492	0.4
81.03433	0.4
81.07054	0.6
83.04988	0.3
85.02897	1.1
85.06540	0.3
91.03939	0.2
91.05482	0.4
93.07053	0.2
95.04979	0.3
95.08596	0.4
97.02896	0.2
97.06536	0.8
104.02251	0.2
105.07021	0.4
107.08612	0.4
109.10172	0.3
115.03945	0.8
121.10120	0.3
123.04433	0.2
127.03942	0.7
133.04974	0.4
133.10210	0.3
135.08075	0.2
137.06035	0.3
145.04982	0.8
145.10136	0.3
146.27272	0.2
149.02341	0.7
159.11790	0.2
180.62837	0.2
185.04405	0.2
187.07643	0.2
197.04156	0.3
203.05283	0.6
213.70844	0.2
223.13083	1.8
233.11748	0.8
249.14665	0.7
257.06372	0.9
267.15735	2.0
276.19684	0.3
299.07379	2.9
317.08493	3.8
329.17703	0.4
341.15646	1.1
363.25385	0.3
364.09302	0.3
429.20990	4.6
543.24109	100.0
543.31335	9.2
544.24457	4.7
544.32355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29960	0.3
55.05510	0.3
62.00130	0.3
66.13597	0.3
67.05488	0.5
69.03434	1.0
69.07079	0.4
71.05012	0.4
71.08613	0.4
71.96345	0.3
79.05510	0.4
81.03401	0.5
81.07049	0.7
84.08173	0.3
85.02913	1.5
86.06089	0.3
95.08606	0.7
97.02908	0.7
97.06528	0.9
98.23461	0.7
105.07030	0.6
107.08599	0.4
115.03925	0.9
127.03939	0.7
137.05981	0.5
145.04965	0.8
145.10115	0.4
157.78308	0.3
197.04224	0.3
203.05388	0.3
223.13037	2.1
228.16739	0.4
233.11827	0.8
249.14691	0.6
257.06369	0.7
267.15680	2.3
299.07294	2.1
317.08414	4.1
341.15805	0.4
429.20984	4.3
543.24127	100.0
543.31085	6.6
544.24609	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	543.3294
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
54.61501	0.2
55.29919	0.2
55.73981	0.2
57.07086	0.3
59.06118	1.0
59.19781	0.2
68.71249	0.3
69.73946	0.5
69.74295	0.7
74.50254	0.2
83.04970	0.3
88.07642	0.3
313.12491	0.3
542.54108	0.9
543.32922	100.0
544.33295	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	543.3683
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03947	1.1
54.38043	0.5
55.01875	2.9
55.05258	0.9
55.05511	13.8
57.03440	4.5
57.07068	1.7
59.04986	0.6
65.03941	1.1
66.64101	0.5
67.05506	19.5
67.05866	1.1
69.03444	1.4
69.07070	6.9
71.04999	1.8
71.08605	0.5
77.03928	0.7
79.05497	16.2
81.03418	8.2
81.07059	15.1
83.04969	2.0
83.08617	7.3
85.06566	1.5
91.05479	16.0
93.07047	12.6
95.04975	6.8
95.08611	11.4
97.06534	1.6
97.10167	7.2
105.04517	1.4
105.07030	13.2
107.04957	2.1
107.08596	9.1
109.06524	2.1
109.10162	7.0
111.08101	1.5
115.05463	1.5
117.07024	7.6
118.99613	0.6
119.08574	11.4
121.06496	3.1
121.10146	5.3
123.08090	1.0
123.11729	1.9
125.09649	5.1
128.06189	1.7
129.07007	7.3
131.08569	12.5
133.06500	0.7
133.10121	6.6
135.08046	1.4
135.11707	3.1
141.07002	2.1
142.07814	1.8
143.08568	8.4
145.06439	2.7
145.10141	10.0
147.08043	2.3
147.11700	5.0
149.09657	1.5
149.13277	1.1
153.09019	0.6
154.07884	0.8
155.08545	4.1
156.09273	0.8
157.06464	0.9
157.10149	7.9
158.10809	0.6
159.08032	2.6
159.11684	8.0
161.09700	1.1
161.13232	2.8
163.11275	1.4
165.06906	0.8
167.08585	2.0
169.10153	5.8
171.08076	1.9
171.11684	8.2
173.09662	2.1
173.13263	4.0
175.11169	1.5
175.14841	1.3
179.08623	1.3
181.10088	2.6
183.11690	4.7
185.09665	1.9
185.13287	5.0
187.11255	2.0
187.13348	0.9
187.14912	2.0
189.11201	1.6
193.10313	1.3
193.12305	2.4
195.11671	2.9
197.13272	3.3
199.11150	1.1
199.14740	2.8
201.12779	1.5
202.10532	0.6
203.14386	0.7
207.11746	1.0
209.13292	2.4
211.13162	1.0
211.14944	1.1
213.12843	0.9
213.16495	0.8
215.14333	1.2
221.13312	1.0
223.14873	1.9
227.12657	2.7
229.14281	1.1
235.14876	0.7
237.16417	0.9
241.19604	2.0
247.17072	0.6
257.19077	1.1
259.20627	4.5
265.19537	0.7
267.15784	4.7
271.20816	0.5
283.20645	2.1
285.22009	1.0
297.18869	0.6
297.22214	2.5
299.23578	3.4
301.17862	0.6
301.21606	0.9
313.21768	0.9
315.23248	1.1
325.21802	1.0
327.23193	1.0
333.24274	1.9
337.21408	0.7
339.23236	1.3
343.22571	0.7
353.24930	1.0
357.24377	1.3
381.12622	0.5
403.25067	0.7
415.29865	0.9
421.25787	1.1
423.32623	2.3
433.31046	6.7
451.32196	8.4
469.33249	4.4
506.40817	0.7
507.34506	1.3
515.37323	2.6
525.35779	17.5
526.36102	1.5
543.36810	100.0
544.37128	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	543.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94184	1.7
55.05527	2.4
57.03419	1.7
57.07077	55.4
62.96038	1.7
67.05500	10.9
69.07066	19.2
71.08624	13.4
71.19712	1.6
79.05496	7.5
81.07059	12.3
83.08613	5.9
85.06569	2.8
85.10195	7.5
93.07027	9.8
95.08593	12.4
97.06525	3.9
107.08601	8.5
109.10149	8.0
111.08118	3.2
127.11175	20.3
135.11674	12.3
137.13322	1.9
153.12791	7.4
155.14334	9.2
201.14899	7.7
224.46997	2.0
227.16452	8.0
229.18021	10.7
353.26855	61.1
355.28427	100.0
356.28818	3.4
371.27930	25.3
381.30005	40.3
399.31027	4.4
461.36697	1.9
525.41199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4929
Annotation	Phytofluene
Peak:m/z	Relative Intensity
53.03944	1.4
55.05508	11.6
55.21999	1.3
57.07068	5.1
65.03958	1.9
67.05503	22.0
69.07069	42.9
71.08614	2.7
79.05487	18.9
81.07059	100.0
83.08614	12.9
85.10182	1.4
85.29733	1.2
85.53114	1.3
91.05476	12.0
93.07041	31.1
95.04962	3.3
95.08607	74.3
97.10175	8.7
98.23509	3.8
105.04523	2.1
105.07030	23.0
107.08593	37.3
107.13493	1.3
109.10159	45.3
111.11713	4.6
117.07040	4.0
119.08575	27.4
121.09261	2.2
121.10149	30.7
123.11710	19.5
128.49564	1.3
131.08572	8.0
133.10138	18.1
135.11699	21.9
137.13254	11.8
143.08577	5.1
144.09328	1.3
145.10107	15.9
147.11702	17.6
149.13268	18.5
151.14923	1.9
155.08521	1.4
157.10124	10.1
159.11694	19.7
160.12489	2.1
161.13266	12.2
163.14830	9.0
169.10107	2.3
171.11659	8.9
173.13264	17.4
173.18704	1.3
175.14832	11.7
177.16368	8.1
183.11702	2.3
185.13271	8.8
187.14825	13.2
189.16415	8.6
191.17955	4.8
197.13289	2.5
199.14781	6.6
201.16396	11.9
203.17995	7.8
205.19508	2.3
211.14813	3.6
213.16371	7.0
215.17906	6.8
217.19547	4.9
225.16415	3.6
227.17989	7.3
229.19562	5.1
231.21161	2.4
239.17883	2.0
241.19536	5.3
243.21170	4.0
245.22749	2.3
253.19586	2.8
255.21127	3.4
257.22623	4.4
259.24261	1.9
267.21051	2.6
269.22748	4.7
271.24307	2.4
281.22623	1.7
283.24289	4.7
285.26105	1.9
295.24222	1.9
297.25903	3.7
299.27441	1.7
311.27481	1.7
323.27292	2.1
325.03644	1.4
325.28922	5.3
327.30603	1.6
337.28952	2.3
339.30359	2.9
351.30286	1.7
365.32025	1.9
370.59756	1.3
377.32101	1.7
393.34985	4.7
405.35162	1.7
409.82861	1.5
419.36935	1.9
433.38403	2.3
461.41293	3.5
543.49200	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4929
Annotation	Phytofluene
Peak:m/z	Relative Intensity
53.03950	2.8
55.05506	15.9
56.40305	1.1
57.07082	5.3
67.05505	25.5
69.07069	41.9
69.07449	2.1
73.41280	1.1
79.05495	19.7
81.07057	100.0
83.08622	11.6
90.08079	1.0
91.05473	12.2
92.71806	1.1
93.06540	0.7
93.07044	25.9
95.04980	3.6
95.08607	60.7
97.10177	4.6
98.23428	3.6
105.04505	1.1
105.07035	25.9
107.08596	37.5
109.10161	37.3
111.11727	3.3
117.07018	3.2
119.08581	26.8
121.10135	29.4
123.11711	17.7
131.08546	8.3
132.09322	1.3
133.10139	18.1
135.11696	14.9
137.13266	9.1
143.08601	4.8
144.09317	1.4
145.10104	13.7
147.11693	16.7
149.13266	11.2
151.14871	3.5
155.08534	1.2
157.10100	9.7
159.11679	16.0
161.13261	13.9
163.14862	7.4
169.10199	1.4
171.11687	9.7
172.12392	1.8
173.13257	10.3
175.14790	9.3
177.16394	5.6
183.11717	3.4
185.13251	6.0
187.14798	9.3
189.16336	7.1
191.17949	3.1
197.13333	2.8
199.14793	5.8
201.16422	4.1
203.17996	4.8
205.19731	1.4
211.14934	3.7
213.16444	6.2
215.17981	4.2
217.19566	3.1
223.14723	2.0
225.16254	1.8
227.18036	3.2
229.19489	3.1
231.21060	1.3
239.17912	1.6
241.19507	2.5
243.21187	3.4
245.22502	1.3
252.48782	1.1
255.21083	2.6
257.22525	3.1
269.22583	2.3
281.22748	1.2
283.24246	3.2
295.24295	1.7
297.25784	2.0
300.32434	1.2
309.25742	2.2
325.29019	2.2
337.29010	1.4
351.30515	1.3
379.33578	1.5
419.36877	1.3
426.25699	1.3
430.75836	1.5
461.41122	2.1
543.49231	51.2
544.49713	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	544.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93720	0.5
53.03940	0.7
55.01866	1.3
55.05468	0.6
57.03424	1.5
59.04981	0.5
61.02912	0.8
67.05506	1.0
67.50185	0.5
69.03429	4.5
69.07060	1.6
70.06599	0.6
71.05013	0.5
73.02914	0.9
79.05495	4.3
80.07671	0.5
81.03407	2.3
81.07046	1.5
85.02901	12.3
87.04470	2.4
89.00616	0.6
91.03925	0.5
91.05476	3.8
93.07061	0.9
95.04960	1.2
95.08656	0.8
97.02886	4.0
97.06528	12.8
99.04448	0.7
103.05468	1.9
105.03393	0.5
105.07021	9.2
107.04931	2.4
107.08587	0.8
109.02882	2.2
109.10116	0.6
111.02689	1.6
111.08092	0.6
115.03931	7.0
116.10700	0.8
117.00099	0.7
117.06985	0.7
119.04930	2.7
119.08551	0.7
120.05707	1.4
121.06503	2.6
121.10156	0.7
123.04423	1.5
123.08031	0.8
127.03916	4.6
130.07697	0.5
133.05005	2.5
133.06483	0.6
133.10114	0.7
135.04407	5.0
135.08064	4.1
137.05978	7.3
138.06769	0.9
139.02116	0.8
139.07590	0.9
143.08475	0.5
145.04970	4.4
147.04401	6.7
148.05219	1.1
149.00568	2.5
150.06781	3.3
151.07547	15.0
152.08292	2.2
153.03677	0.6
153.09119	3.9
155.01596	1.5
161.05969	1.1
163.02130	2.6
163.03860	0.5
163.06047	0.8
163.07504	0.5
165.09113	44.4
166.09383	1.1
167.01613	19.5
168.02403	3.8
169.03110	0.9
177.09099	0.8
181.03175	21.7
183.04630	0.7
187.14763	0.6
189.09082	1.3
191.01672	0.8
191.06973	0.6
195.01129	6.3
195.04688	0.6
201.09088	0.9
203.10628	0.5
209.02661	15.1
210.02977	0.5
211.07724	0.8
213.02173	2.0
213.09050	0.9
215.10655	1.5
217.12021	0.5
224.08247	0.7
225.09125	1.4
226.09909	1.7
227.03802	0.7
227.07059	0.7
227.10751	1.2
229.12239	1.0
233.11722	16.3
239.07089	1.3
239.10690	1.4
241.08740	0.7
242.09425	3.2
243.10103	1.0
253.08578	1.2
254.09428	0.9
255.10170	3.3
257.08008	1.1
257.11734	5.7
259.08151	1.1
267.10147	2.2
268.11078	0.6
271.09613	1.3
272.10446	6.9
273.11337	3.2
275.12729	1.0
277.09125	2.0
285.11191	8.0
285.14270	0.3
286.11926	2.4
301.08862	4.0
311.16531	0.6
319.09961	16.4
329.08301	1.7
329.17422	2.7
341.13800	1.4
347.09473	40.6
347.18427	1.7
348.09717	1.1
359.14896	0.9
365.10535	100.0
366.10873	3.0
377.10394	2.0
389.10718	1.5
418.58655	0.6
431.11441	2.1
443.11105	0.6
455.11768	0.9
473.12653	1.0
498.20874	0.8
526.20526	3.2
543.31268	1.1
544.23981	4.5
544.32379	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	544.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55590	0.3
50.81912	0.3
53.03938	0.4
55.01875	0.4
65.03934	0.5
69.03428	2.0
70.06592	0.8
79.05488	1.1
81.03411	1.0
81.07048	1.2
84.08157	0.5
85.02906	0.5
87.00822	0.8
91.04935	0.7
91.05477	8.1
95.04983	0.6
97.02900	1.0
97.18204	0.4
99.04469	0.6
103.05467	0.6
105.01849	0.4
105.07033	3.4
109.02860	1.7
111.08083	1.6
115.05457	1.0
117.07020	2.4
119.04942	8.1
119.08578	1.2
121.05849	0.4
121.06527	3.9
123.87528	0.3
127.03915	4.6
129.07010	1.6
131.08553	0.4
133.06493	21.4
133.10159	0.5
133.79768	0.4
136.11201	0.6
137.05998	2.6
141.06932	0.4
142.07782	2.4
145.10069	0.4
147.08087	0.5
147.11658	0.8
157.10121	16.9
160.08839	1.2
175.11183	100.0
176.06689	0.3
176.11525	1.5
182.75291	0.4
187.45757	0.4
205.07993	0.3
213.03886	1.4
223.42149	0.4
231.05016	2.0
248.53969	0.4
280.40189	0.4
302.62088	0.4
317.05014	1.7
335.05856	1.8
339.12289	0.9
377.15945	0.6
418.89410	0.4
543.31030	1.7
544.24371	0.8
544.32440	3.8
545.15082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2545
Annotation	Scoparasin B
Peak:m/z	Relative Intensity
53.03945	0.6
55.01867	0.6
55.05511	0.9
56.35497	0.4
67.05501	1.7
68.99799	1.0
69.03434	42.8
69.32123	1.8
70.03742	0.6
79.05486	1.2
80.05015	0.7
81.07054	1.5
83.01360	0.8
83.04992	3.4
83.08613	0.4
84.24126	0.4
86.06075	0.6
91.05488	2.6
93.07045	4.1
95.04965	1.0
95.08622	0.9
97.02917	2.2
97.06538	1.3
99.04504	0.9
104.81239	0.4
105.04469	0.5
105.07057	1.2
107.08587	0.5
109.06540	0.8
111.04470	3.5
111.08087	100.0
112.08418	1.1
113.06027	1.2
117.07030	0.6
117.36346	0.4
119.08569	0.4
119.52641	0.6
121.06474	1.1
122.09647	0.9
123.04424	1.0
127.03915	1.2
129.05470	0.9
137.05978	1.1
139.03926	1.5
139.07549	28.5
147.08170	0.4
149.06006	1.1
150.09198	0.8
151.07538	1.0
153.09088	0.7
157.05043	0.7
161.05981	0.5
161.09636	0.6
163.07596	1.4
166.06160	0.5
168.10236	1.2
175.11121	0.5
177.09184	0.9
179.07047	0.9
182.11774	0.8
187.07524	0.8
189.05554	0.5
189.09096	1.2
191.10806	0.6
193.08647	2.1
195.10222	0.8
205.08540	0.7
207.06590	1.2
209.08003	0.6
209.11653	0.5
215.10715	0.6
221.08098	1.6
221.11678	0.7
231.10237	0.6
233.11800	1.0
239.09009	5.5
243.10229	0.5
244.10869	0.4
245.11783	0.5
247.09627	0.9
249.11240	0.8
265.07156	2.7
265.10773	5.5
271.09692	0.6
271.13095	0.6
274.14627	0.6
278.17459	0.7
293.10233	4.7
303.12183	0.8
306.16940	5.8
307.11710	1.0
317.13873	2.5
321.40973	0.5
331.15540	0.6
349.16553	1.6
359.14957	2.8
377.15961	38.3
378.16354	1.4
526.24506	3.7
544.25427	61.8
545.25806	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	544.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.1
53.56472	2.4
55.01874	7.6
55.05508	28.0
57.03439	21.4
59.05011	2.9
60.28186	2.4
67.05505	34.7
69.03426	6.8
69.07058	7.4
69.28566	10.6
71.04996	3.5
79.05499	32.4
81.02963	3.7
81.03419	64.5
81.07055	38.5
83.04984	20.8
83.08616	34.8
85.02905	26.3
91.04934	3.9
91.05482	47.0
93.06618	2.5
93.07061	26.2
95.04969	28.7
95.08598	12.6
97.02882	9.0
97.06525	6.3
99.00827	20.1
99.08078	2.4
105.07027	37.8
107.04940	14.2
107.08591	16.0
109.02879	10.4
109.06509	8.4
109.10160	7.9
111.08073	15.4
111.30669	2.8
113.05980	3.4
117.07009	5.2
119.08584	24.8
121.06480	10.3
121.10134	7.1
123.08102	3.6
123.11731	4.0
129.07007	11.0
131.08586	11.4
133.06467	3.8
133.10132	57.9
135.11691	2.9
137.09550	5.3
143.08588	4.2
145.10117	3.2
147.08057	5.1
147.11674	17.8
148.66260	2.3
149.09602	7.4
151.11163	10.9
153.06790	2.6
155.08464	2.8
157.10124	11.8
161.09604	18.3
163.11205	3.8
165.09099	3.5
171.07988	4.4
175.11176	12.9
178.18556	2.5
179.10693	8.6
189.09114	11.2
193.12233	52.8
197.11707	2.7
197.99103	2.8
207.10178	2.7
211.13293	100.0
225.11150	14.4
227.13000	2.9
243.12103	3.5
267.15945	31.6
283.15601	5.1
285.16968	79.1
299.14886	92.7
300.15469	2.7
459.27176	4.7
473.25311	2.5
477.28381	7.4
491.26407	14.0
495.29578	3.2
509.27472	76.6
510.27811	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	544.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
53.80512	0.5
55.01886	0.6
55.05513	4.9
57.03445	1.3
57.07075	1.3
59.75627	0.5
60.08162	4.3
65.03955	0.6
67.05507	6.6
69.07067	6.4
71.04998	1.0
71.07380	3.4
71.08620	0.5
71.43310	0.6
79.05495	6.1
80.05835	0.5
81.03425	1.0
81.07062	10.1
82.07402	0.6
83.08636	3.2
85.06541	0.6
86.09706	18.5
91.05493	3.8
93.07051	6.5
94.07384	1.2
95.04965	1.7
95.08611	8.2
96.08959	1.1
97.02893	0.6
97.06561	0.7
97.10174	1.7
101.79718	0.5
104.10744	100.0
105.04483	0.7
105.07027	3.9
107.04958	2.3
107.08594	5.2
108.08951	1.0
109.10172	4.2
111.06212	0.5
111.11724	0.8
117.07060	1.1
118.07310	0.6
119.08569	3.3
119.66102	0.5
121.06516	1.1
121.10128	4.0
122.10427	0.6
123.11710	1.1
131.08582	1.5
133.10103	1.8
135.11668	3.4
136.12102	1.2
145.10141	2.3
146.10492	0.7
146.98180	12.0
147.11667	1.6
149.13210	1.4
157.10141	0.7
159.11673	1.1
161.13260	1.0
163.07507	0.7
163.11194	2.8
163.14813	0.8
164.11513	1.3
165.09087	1.0
173.13255	1.2
179.10501	0.6
181.12292	0.7
182.12564	0.8
227.12770	5.7
228.13124	2.7
263.56070	0.5
339.28928	5.3
393.13181	0.9
485.26404	46.0
486.26160	1.2
513.18756	1.5
526.35297	1.8
535.40576	0.6
544.33313	26.5
544.46643	1.3
544.48840	1.0
545.21777	6.0
545.37848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89214	0.8
55.01865	3.6
55.05513	12.1
57.03436	13.6
59.05007	0.9
60.17539	0.9
65.03936	1.9
67.05508	18.7
69.03428	3.6
69.07070	5.4
69.45924	3.4
71.04995	3.1
73.90431	0.8
79.05495	22.9
81.03421	86.9
81.07063	21.9
83.04974	10.3
83.08620	22.6
85.02898	11.1
85.06525	1.4
88.02345	0.8
91.05485	28.8
93.07053	14.8
95.04972	27.7
95.08600	9.0
97.02918	3.1
97.06541	3.9
97.10165	5.2
99.04429	0.9
105.07035	18.0
107.04977	7.4
107.08599	7.4
109.06528	4.3
109.10165	3.2
111.04455	3.0
111.08082	10.4
113.05965	0.8
115.05482	1.2
117.07018	3.2
117.74056	0.8
119.04946	2.6
119.08575	15.6
121.06522	4.5
121.10156	7.6
123.08084	3.6
123.11757	1.6
125.09630	3.1
129.07010	12.2
131.08572	11.9
133.06483	3.5
133.10129	10.3
135.11751	1.4
137.09607	1.6
142.07759	3.7
143.08556	1.1
145.06467	3.4
145.10124	3.0
147.08055	4.6
147.11688	12.0
149.09584	6.4
157.10114	13.0
163.11211	2.6
163.28255	1.0
165.11490	0.9
165.12659	4.3
169.10094	1.5
175.11201	13.0
189.11151	1.0
193.12251	33.4
193.13968	2.0
195.11703	1.2
205.12286	1.0
209.11507	1.3
211.13290	25.4
213.12704	1.0
214.08575	0.9
227.12773	1.6
229.14488	1.4
240.50731	0.8
249.14836	3.5
267.15921	100.0
268.16275	2.5
273.14850	3.8
283.15408	2.2
283.69806	1.0
285.16974	25.2
299.14816	1.6
333.87805	1.1
349.21524	3.2
367.22687	9.6
385.23749	11.8
403.24670	3.3
405.24167	1.1
433.25940	7.1
441.26367	5.3
459.27423	45.2
460.27927	1.8
477.28497	39.9
478.28729	1.1
509.27670	3.3
541.71014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.8
55.05513	34.6
55.61974	4.6
55.82584	5.4
57.03424	15.2
67.05507	43.1
69.07069	15.6
71.04997	5.6
71.08646	5.7
72.22721	4.3
79.05501	41.4
81.03422	87.3
81.07054	50.1
83.04991	7.7
83.08607	24.5
91.05467	34.3
92.94688	4.7
93.07071	27.4
95.04973	34.3
95.08598	29.2
96.08880	5.0
97.10168	21.0
105.07027	30.8
107.04953	14.8
107.08599	26.0
109.06528	14.4
109.10181	15.0
111.08098	11.8
117.07011	12.2
119.08607	25.0
120.96664	6.7
121.06508	14.0
121.10157	15.4
122.10555	5.4
125.09659	12.1
129.07040	11.8
131.05023	4.4
131.08592	20.7
133.10150	10.4
133.23886	4.4
135.11673	10.9
145.06499	10.3
145.10136	14.4
147.11668	11.6
149.09637	7.0
149.13257	6.9
152.23399	5.3
157.10153	14.6
167.07092	5.5
172.88474	5.5
175.11200	10.8
189.11150	7.1
193.12297	13.1
207.99759	14.6
219.13942	5.6
267.15948	73.9
288.12375	5.4
296.63147	5.1
349.21606	7.0
367.22641	26.1
385.23755	32.0
403.24783	16.5
427.64453	6.6
441.26630	8.7
457.22211	5.8
459.27408	100.0
477.28442	62.4
491.30054	8.2
509.31104	6.2
544.36749	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05502	2.2
57.07064	0.8
61.70190	0.5
67.05510	3.8
69.07057	2.3
71.08640	0.5
71.46758	0.4
79.05488	1.7
81.03448	0.7
81.07054	2.8
83.04976	1.2
83.08625	0.9
91.05473	4.3
93.07042	2.9
95.05005	0.9
95.08601	3.0
96.04493	0.7
97.10183	0.5
100.11297	0.4
104.10754	0.7
105.07056	2.1
107.04958	0.6
109.06551	1.9
109.10172	0.9
111.06863	1.1
118.69390	0.5
119.06084	0.9
121.06508	16.9
122.06785	0.6
135.08038	4.2
138.05530	2.1
139.06281	12.3
139.07303	0.9
140.07089	5.2
151.07510	1.1
152.07053	2.7
163.06294	0.5
164.07080	3.3
165.09279	0.5
172.24904	0.5
194.08174	1.4
207.99898	0.6
208.09756	2.2
223.08405	1.1
224.09196	1.1
228.10194	5.3
238.10661	0.5
243.09967	0.5
245.10489	0.9
260.12811	36.1
261.13184	1.0
269.11826	0.6
270.11295	1.0
302.14014	0.6
337.27261	0.5
344.14853	2.3
406.29199	0.6
432.76443	0.5
502.23035	0.9
526.35626	2.7
527.24640	0.6
544.36322	100.0
545.25342	1.0
545.36725	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	545.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66529	0.4
57.03474	0.5
58.50641	0.4
67.05498	1.1
69.03428	1.5
69.07076	1.3
79.05499	1.4
79.29208	0.5
81.03419	1.1
81.07069	1.3
83.08632	0.5
85.02923	3.3
87.00838	0.9
87.04501	0.4
91.05473	4.3
93.07045	0.9
95.08624	0.6
97.02910	0.7
97.06552	3.2
98.06821	0.7
101.00880	0.7
104.05783	0.5
105.07037	2.2
107.05015	0.6
107.08611	0.9
109.06555	0.7
109.10172	0.6
111.08106	0.6
115.03948	1.4
119.01945	1.1
119.04973	2.7
121.06507	0.9
121.10103	0.6
123.11694	0.5
127.03931	1.4
133.06462	0.6
137.05975	1.2
139.07559	0.7
143.01941	1.3
149.06036	0.8
151.07576	1.1
153.04253	0.5
157.03545	0.9
161.02972	1.8
165.09129	0.7
173.44058	0.5
175.04567	1.3
177.09160	1.6
178.09592	1.1
185.02910	0.6
185.04356	0.8
187.07518	4.0
188.07890	3.8
190.09447	0.5
201.09158	0.5
203.03900	1.0
203.05504	1.1
227.05280	1.3
233.11836	1.7
234.12164	1.3
243.13860	1.5
244.14178	1.4
245.06335	7.6
257.11786	1.5
261.14951	0.9
271.04303	1.1
279.10049	0.6
289.05286	25.5
297.10944	3.4
315.10767	1.5
357.11481	0.5
365.22980	0.9
370.17371	0.9
459.16376	2.4
483.16385	0.9
501.17319	20.9
502.17801	0.6
545.16302	100.0
545.23206	3.5
545.32831	5.3
546.16736	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	545.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81067	0.3
54.35549	0.4
67.05502	0.6
69.03426	0.9
69.07085	0.5
75.79095	0.3
77.14589	0.4
79.05485	1.0
81.07062	0.7
84.84958	0.3
85.02905	1.1
85.77209	0.3
91.05470	0.6
93.07061	0.5
97.02879	0.6
97.06530	2.0
97.10175	0.4
98.22581	0.6
105.07096	0.5
109.06506	0.4
109.10186	0.4
110.84676	0.4
111.08073	0.9
115.03946	0.7
127.03967	1.0
131.08643	0.4
133.10185	0.4
137.05959	0.4
138.09190	0.4
139.07549	0.4
145.10205	0.4
146.05219	0.4
167.03207	0.5
185.04224	0.4
227.05309	2.5
233.11780	1.1
234.12082	0.8
245.05199	0.4
271.04193	2.9
297.10995	6.4
315.10867	0.5
365.62167	0.4
376.20499	0.6
378.16238	0.5
441.14749	0.9
459.16101	6.4
460.17441	0.4
483.16122	1.7
501.17334	34.0
502.17599	1.1
527.15387	3.1
535.81128	0.4
544.32147	0.5
545.16321	100.0
545.33008	7.4
546.16461	3.7
560.33600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
70.57567	1.3
74.72882	0.6
77.60049	0.6
79.05485	0.8
85.85458	0.5
87.96310	0.5
91.05476	2.5
93.10197	0.6
94.74339	0.6
95.04951	0.9
98.98465	0.7
103.05468	46.0
103.44962	0.6
105.07025	9.1
115.05427	2.9
119.04953	4.1
131.04926	100.0
132.05275	1.1
133.06497	7.7
137.05965	2.0
143.06044	1.6
145.02835	0.6
145.09265	0.6
147.04417	8.2
161.05977	28.3
163.07547	35.1
169.50130	0.6
177.05472	1.1
179.07033	6.5
185.05742	8.6
199.07539	1.4
259.07623	0.8
261.07391	1.7
291.10071	2.9
320.75504	0.6
321.11093	1.0
323.12692	1.6
393.21698	0.7
423.14136	6.8
499.30167	0.6
545.17981	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	545.2175
Annotation	Nobilin E
Peak:m/z	Relative Intensity
51.02387	0.6
53.03946	0.8
55.01869	0.9
55.05510	3.3
57.03443	1.0
57.07060	0.6
59.05009	0.6
65.03944	1.1
67.05156	0.5
67.05507	6.8
69.03430	0.6
69.07070	2.2
69.77171	1.2
71.04980	0.7
77.03931	0.9
78.04705	0.4
79.05493	11.6
81.03416	2.4
81.07062	7.6
82.07382	0.4
83.04977	0.6
83.08636	2.4
85.02878	0.6
86.09709	1.1
89.06030	0.8
91.05485	12.7
93.07046	6.3
95.04975	5.9
95.08607	4.5
97.06505	0.6
97.10168	1.8
103.05466	3.9
104.10754	4.6
105.04515	2.1
105.07031	11.1
105.11088	0.7
107.04957	36.0
107.08591	4.3
109.06525	1.3
109.10152	2.8
115.05473	2.1
115.97861	0.3
117.07031	4.2
119.04944	1.6
119.08588	7.3
120.05712	1.7
120.08906	0.4
120.79101	0.3
121.06507	10.8
121.10138	2.0
123.04446	0.9
123.08099	1.5
123.11717	1.0
125.09642	1.2
127.74592	0.3
128.06241	1.0
129.07013	2.8
131.04932	5.6
131.08566	2.5
133.06496	2.5
133.07498	0.7
133.10150	2.3
134.07275	1.4
135.08063	7.0
135.11673	1.2
137.05977	1.1
137.09602	0.8
137.13313	0.4
138.06712	0.6
139.02158	0.3
139.07582	0.6
139.11279	0.4
141.07001	1.4
143.08582	1.0
144.05717	0.5
144.08032	0.4
145.06505	2.1
145.10098	1.9
146.98193	0.8
147.04411	0.5
147.08031	0.8
147.11653	1.8
149.06001	1.2
149.09602	4.0
149.13258	1.1
150.06790	1.6
151.07553	11.9
152.06174	0.4
152.08293	1.3
152.09476	0.3
153.07028	1.2
153.09103	3.5
155.04926	0.4
155.08585	1.0
157.06464	2.5
157.10129	0.9
159.04378	0.7
159.08073	0.9
159.11688	1.9
161.06013	1.6
161.09674	0.6
161.13260	0.6
163.03934	0.8
163.07542	15.3
163.11220	0.6
164.08315	2.9
165.06944	1.0
165.09120	28.4
166.05069	0.3
166.09840	0.5
167.10732	0.4
169.06476	1.6
169.10176	0.8
171.04445	1.6
171.08069	1.6
171.11761	0.6
173.06001	1.4
173.13264	1.3
174.06659	0.4
175.07520	1.6
175.11174	0.4
175.14822	0.7
177.09096	1.5
179.10680	13.8
181.06531	2.0
183.04437	0.4
183.08116	1.1
184.05190	0.5
185.05989	1.6
185.13307	0.4
186.06772	0.6
187.07544	1.3
187.14857	0.5
188.08363	0.7
189.05507	1.0
189.09122	1.4
189.11162	0.7
191.07022	0.4
193.06613	0.3
193.12270	1.2
195.08022	0.4
197.05974	2.6
198.06741	0.9
199.07591	3.5
199.14946	0.5
201.05475	1.0
201.09148	1.1
202.06197	0.4
202.07826	0.5
203.07040	1.7
205.08530	0.5
209.05997	0.9
211.07558	2.2
212.04703	0.5
213.05435	2.8
213.09151	0.8
213.16447	0.5
214.06313	0.5
215.07028	1.4
215.08809	0.4
216.07693	0.6
217.05026	0.4
217.08673	1.2
219.08228	0.5
221.06073	0.5
223.07620	1.1
224.04654	0.4
225.05518	0.9
225.09076	0.6
226.06131	0.7
227.07021	6.2
227.12753	0.9
228.04283	0.4
228.07829	1.4
229.04898	0.8
229.08295	1.5
230.05397	0.5
231.06473	0.7
231.10149	0.6
237.05530	1.4
237.09233	0.4
239.06964	3.9
240.07692	0.4
241.04967	1.5
241.08638	1.4
242.05603	0.4
243.06610	1.3
243.10207	0.8
244.09027	0.6
245.07973	1.1
245.09904	1.1
247.07648	0.7
249.09187	0.4
251.07056	0.4
251.10768	0.5
253.08755	0.5
254.05817	1.3
255.06358	5.0
256.07098	1.6
257.07953	0.9
259.05695	1.6
259.09531	3.4
261.09103	0.6
261.22141	1.2
262.09854	0.7
265.08823	0.6
267.10156	0.4
267.15982	2.1
269.07898	4.6
271.07352	0.5
271.09814	0.5
272.08392	0.9
273.07510	1.2
273.09103	2.3
274.10117	0.7
275.10486	0.4
276.07782	0.7
276.11368	0.5
277.08636	1.2
277.12164	0.7
278.09286	0.4
279.10388	0.6
283.07477	0.4
284.08322	0.6
285.09097	1.4
286.09790	0.7
287.10535	1.5
288.11472	0.6
289.08588	1.0
289.12155	0.5
290.09424	0.7
291.10120	2.4
293.08386	0.4
293.11786	0.6
297.09183	1.1
298.09885	0.7
299.09558	0.4
300.07840	1.2
301.08594	3.1
301.12170	1.0
301.25278	1.4
302.09378	1.5
303.07059	0.4
303.10089	1.7
304.10947	0.6
305.08289	0.7
305.11792	2.3
306.09009	0.3
306.12451	0.4
307.09650	0.9
308.13943	0.4
309.11258	0.5
309.14676	0.4
311.10254	0.4
312.07666	0.5
313.08548	0.8
314.09354	0.6
315.10101	4.9
315.13589	0.4
316.10950	1.3
317.08240	0.7
317.11682	1.1
317.24741	0.5
318.08942	0.9
318.12503	0.4
319.09662	3.6
319.13202	0.7
320.10394	0.6
321.11365	0.7
323.12866	0.9
325.08484	0.5
327.10260	0.6
328.11047	0.5
329.08075	2.2
329.11795	1.1
330.09027	0.9
331.09595	1.7
331.13135	0.4
332.10458	0.6
333.11115	4.1
333.14532	0.5
334.11993	1.1
335.12683	0.4
335.25952	1.1
336.13644	0.3
337.14346	0.6
342.08829	0.6
343.09622	2.0
344.10492	0.8
345.11182	1.2
346.11960	0.7
347.09109	0.8
347.12924	1.3
349.14478	0.8
351.12140	0.5
356.10431	0.7
357.11310	1.0
359.09183	0.6
361.10754	3.7
361.14505	1.2
362.11481	0.9
363.12213	0.4
365.13675	0.7
371.12973	0.8
374.11578	0.6
375.12131	2.6
377.13748	0.9
379.11526	0.9
379.15482	1.2
389.13943	1.5
391.13034	0.6
393.13312	17.6
394.13757	0.9
401.11813	0.4
403.14435	0.4
407.14923	6.6
409.15536	0.4
411.17911	0.6
417.14868	0.3
420.13586	0.6
421.16339	1.3
433.14655	0.4
434.15512	0.4
435.15942	1.5
435.32388	0.7
436.16360	0.4
439.18665	1.3
445.14346	0.5
452.16180	0.6
453.16953	1.2
453.33691	1.6
463.15756	0.9
467.18417	1.9
471.34644	0.7
481.16260	1.1
482.16965	0.8
485.19690	7.2
485.26614	0.5
486.26846	1.4
495.18100	3.0
496.18542	0.3
513.19080	28.0
514.19250	1.5
517.22217	7.1
527.20685	1.5
527.37439	5.6
544.49579	0.6
545.21698	100.0
545.38690	9.3
546.21960	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	545.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56016	0.3
61.32331	0.3
64.81261	0.3
65.03938	0.5
67.05489	0.5
69.25743	0.8
69.26151	1.0
79.05503	1.0
80.06317	0.3
81.07080	0.5
86.09718	0.4
91.05479	8.4
92.05793	0.5
93.07049	2.8
95.04957	0.7
98.23447	0.5
103.05486	0.4
103.68604	0.3
104.10739	1.9
105.07032	3.1
106.07356	0.6
107.04952	0.9
109.06522	2.1
119.06048	1.0
119.08609	0.8
121.06508	15.4
122.06873	0.4
124.59840	0.3
125.05962	0.5
129.06992	0.4
131.08548	0.8
133.06502	0.8
135.08046	3.1
137.06030	0.5
143.08617	0.5
146.98209	0.6
147.07970	0.4
149.05978	0.6
151.07593	0.6
155.08601	0.6
158.07275	0.5
158.10854	0.3
159.04500	0.4
159.08083	1.6
159.11700	1.4
165.05502	0.5
168.09460	0.4
169.10185	0.8
171.08086	0.6
172.08862	0.6
173.09703	0.9
175.07632	0.3
183.11731	1.0
185.09662	1.2
186.10359	1.4
187.07599	0.3
187.11188	3.6
193.10149	0.4
196.08807	0.4
197.09590	1.9
198.10318	0.4
199.07484	0.3
199.11270	0.6
201.09212	0.6
201.12654	1.6
211.11197	1.8
213.09192	0.7
214.09955	1.4
215.10655	3.4
221.99054	0.4
225.09163	0.4
227.10802	1.0
228.11316	0.7
229.12228	5.6
239.10733	2.9
240.11516	0.4
241.08392	0.4
242.09439	0.8
243.10155	0.8
255.10092	0.7
256.10941	0.6
257.11728	8.3
257.14249	0.5
317.15332	0.5
320.51563	0.3
325.14545	0.4
335.16357	2.0
347.16479	1.1
349.18076	2.5
350.18668	0.5
361.18085	1.2
363.15933	3.6
377.17514	5.6
378.18259	39.1
379.18622	2.2
467.22800	0.5
468.22452	1.3
481.23688	0.6
487.28110	1.0
492.22220	0.5
499.24783	100.0
500.25198	4.6
510.23706	3.1
517.38269	0.4
527.24170	2.9
545.24957	1.7
545.32794	6.5
546.35120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3088
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
51.85806	0.2
55.64283	0.2
56.94765	0.2
69.19807	0.9
79.05489	0.2
79.88459	0.2
104.10740	0.4
123.91857	0.2
412.26587	0.2
471.27042	0.2
482.97372	0.2
513.14490	0.3
545.30829	100.0
546.31262	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	545.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03881	0.5
69.07070	0.5
71.46523	0.5
78.97823	0.5
81.07065	0.5
84.30250	0.5
89.06035	1.3
107.48367	0.4
121.06520	1.1
133.08604	1.5
139.12775	0.5
142.93866	3.0
142.94858	1.1
192.14671	0.5
209.61017	0.5
214.94881	0.8
229.62184	0.5
302.40588	0.5
369.54343	0.5
425.32370	11.6
545.30835	100.0
546.31287	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03944	2.1
55.01876	3.6
55.05514	30.6
56.05840	0.9
57.03440	8.5
57.07090	2.1
59.05003	1.0
65.03971	1.9
67.05505	55.4
68.05836	1.7
69.03442	3.8
69.07071	18.7
69.07442	1.0
71.05003	3.9
71.07346	1.3
71.08640	1.7
77.03947	1.6
79.05497	35.5
81.03419	21.7
81.07059	51.0
82.07404	0.9
83.04955	4.8
83.08617	18.7
85.06563	2.7
86.09711	6.1
87.10046	1.3
90.02717	0.9
91.05479	27.8
93.06452	2.1
93.07045	37.9
95.04970	17.6
95.05524	1.3
95.08609	34.8
95.09218	1.7
96.08947	1.0
97.06529	5.1
97.10174	16.9
99.08122	1.9
103.05499	1.3
105.04556	1.8
105.07030	26.7
107.04963	4.5
107.08598	24.9
109.06529	4.2
109.10155	25.0
109.10878	1.3
111.08099	4.3
111.11720	1.0
115.05473	1.2
117.07018	12.5
119.04976	1.3
119.08587	24.2
120.09022	0.9
121.06517	6.3
121.10148	18.8
121.10966	1.1
123.08115	3.7
123.11723	7.8
123.44340	0.9
125.09637	13.7
128.06247	1.2
129.07001	7.9
131.08572	19.6
131.75510	1.0
133.06552	1.8
133.10127	17.1
135.08018	5.4
135.11702	11.2
137.09668	3.2
137.13269	1.3
139.07648	0.8
139.11159	1.2
141.07074	2.0
142.07784	1.5
143.08578	7.2
145.06535	2.7
145.10121	16.5
145.11189	1.0
146.98193	11.7
147.08090	2.8
147.11682	12.5
147.12701	1.1
149.09636	4.7
149.13246	5.5
151.14775	0.9
153.09212	1.0
155.08635	2.9
157.10139	6.6
159.08156	1.9
159.11690	13.3
159.12912	0.9
161.09642	1.8
161.13232	7.5
163.11234	3.2
163.14885	3.4
165.12813	1.4
167.08565	1.0
169.10199	3.6
171.10245	1.3
171.11786	6.4
173.09767	1.3
173.11880	1.9
173.13255	8.2
175.11270	3.8
175.14827	4.1
177.05455	1.2
177.12822	1.5
177.16470	1.7
181.54608	0.9
183.11778	2.5
185.09785	1.3
185.13336	4.0
187.11223	2.0
187.13466	1.0
187.14825	4.4
189.11209	9.5
189.12532	1.1
189.16403	1.1
191.14433	1.0
193.12267	9.4
195.11731	1.6
197.13359	3.0
199.14932	3.0
201.16501	1.5
209.13277	1.1
211.15019	1.5
213.16400	1.9
223.15031	1.3
225.16493	1.9
227.12791	12.7
227.14668	1.0
233.15546	2.4
243.15820	1.2
243.21082	4.0
247.17094	2.6
249.14859	1.5
249.18646	1.6
252.60617	0.9
261.22147	11.6
267.15912	23.9
273.18622	1.1
275.20123	1.8
279.23306	2.0
281.21173	1.3
283.20978	1.2
283.24274	1.4
285.22308	3.6
287.20279	1.5
299.23837	2.3
301.21921	1.5
301.25226	14.7
303.23495	1.4
317.21255	1.1
317.24893	2.7
325.25171	0.9
327.23114	1.5
335.25854	16.5
335.29562	1.4
340.29413	2.0
341.24893	1.1
343.22659	1.1
359.25940	2.4
403.25116	1.2
417.26730	1.1
417.31778	2.5
421.26126	2.8
435.27441	2.6
435.32941	7.5
446.79745	1.0
453.33664	13.3
471.34814	10.1
485.26480	2.0
486.26868	10.5
509.36700	2.4
527.37305	57.2
528.37878	1.9
545.38641	100.0
546.39148	3.8
574.95868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01874	5.7
55.05514	29.7
57.03442	7.1
57.07074	3.3
58.02626	1.1
65.03948	3.1
66.69933	1.0
67.05505	56.8
69.03423	4.3
69.07072	15.3
69.84792	2.3
69.85157	2.3
70.45421	1.0
71.04994	3.6
71.08593	1.0
77.03912	1.2
79.05496	36.9
81.03416	24.1
81.07057	54.8
83.04993	4.4
83.08620	18.5
85.06557	2.9
91.05486	28.3
91.06056	1.6
91.75256	1.2
93.07044	37.2
95.04966	20.0
95.08607	33.1
97.06533	4.8
97.10168	16.4
98.22686	1.2
105.04525	1.6
105.07037	26.2
107.04956	5.8
107.08594	24.5
107.09251	1.7
109.06504	6.5
109.10155	18.8
111.08096	5.4
115.05408	2.0
116.06385	1.0
117.07020	11.7
119.08585	22.3
119.09418	1.6
121.06496	6.7
121.10150	13.6
123.08088	4.1
123.11739	6.0
125.09637	13.5
128.06192	1.9
129.07013	6.2
130.33977	1.1
131.08566	21.8
133.06487	2.8
133.10117	18.0
135.08095	6.0
135.11711	12.5
137.09636	3.6
137.13295	3.2
141.07039	2.2
142.07817	2.3
143.08546	7.7
145.06505	2.6
145.10133	16.4
147.08099	3.8
147.11685	13.4
149.09659	3.3
149.13254	5.5
151.11157	1.5
155.08607	1.4
157.10153	9.6
159.08086	1.9
159.11694	10.8
161.09689	1.5
161.13231	6.9
163.11203	3.6
163.14873	3.5
165.12755	1.7
167.08585	1.3
169.10185	4.7
171.10278	2.0
171.11725	5.5
173.09592	1.7
173.13271	7.6
175.11232	3.7
175.14864	3.5
177.12749	1.6
177.16422	1.1
179.62840	1.1
181.10138	2.6
181.11940	1.0
183.11795	2.4
185.13187	4.9
187.11227	1.6
187.14838	5.9
189.11211	8.2
189.16391	1.8
193.12238	10.0
197.13295	2.5
199.14940	2.7
201.16457	1.6
209.13396	2.2
211.13239	1.8
213.16522	1.1
223.14999	1.5
227.12701	10.5
235.16888	1.2
243.15962	2.1
243.21135	2.8
245.18954	1.0
247.16948	2.3
261.18628	1.7
261.22141	9.2
267.15912	23.7
267.21255	1.0
273.36920	1.0
275.20010	1.1
279.19714	1.4
279.23233	3.2
285.22345	3.1
287.20047	1.6
295.22742	1.3
299.23746	2.2
300.28418	1.0
301.21878	1.8
301.25253	15.5
315.19543	1.2
315.23077	1.2
317.24866	2.2
335.25858	16.1
341.24799	1.4
348.15576	1.2
355.26257	1.4
359.25723	2.2
380.62048	1.1
417.26257	1.2
417.31714	2.5
421.25705	1.7
435.27307	2.3
435.32642	6.6
453.33734	11.7
471.34720	8.2
509.36630	3.1
527.37317	45.9
528.37494	1.7
545.38397	100.0
546.38574	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
55.01875	4.5
55.05514	32.2
57.03438	7.9
57.07085	5.9
61.11794	1.5
65.03935	4.0
67.05506	56.3
69.03441	3.0
69.07064	19.3
70.87777	1.3
71.05015	3.2
71.08636	2.3
71.20589	1.4
77.03910	1.4
79.05493	36.1
81.03414	21.4
81.07057	53.3
82.07406	1.9
83.04996	5.2
83.08624	16.8
85.02915	2.3
85.06544	2.9
85.10207	1.8
91.05483	36.6
93.07044	42.0
95.04977	18.1
95.08612	31.5
97.06547	4.3
97.10175	16.4
99.04436	1.1
99.08092	2.4
103.05449	1.6
105.04531	2.1
105.07028	33.1
107.04969	6.5
107.08599	22.0
107.09267	2.2
109.06547	5.0
109.10158	19.3
111.08063	5.6
113.09679	1.9
115.05517	1.6
117.07015	14.2
119.08575	27.2
121.06496	6.2
121.10136	18.2
121.10960	1.3
123.08103	3.6
123.11692	5.9
125.09637	11.5
128.06197	1.8
129.07019	10.4
130.07880	1.5
131.08569	29.2
133.06516	3.8
133.10144	15.6
133.17017	1.1
134.72853	1.3
135.08069	4.8
135.11679	10.4
137.09689	1.4
137.13290	2.6
141.07036	3.7
142.07785	2.8
143.08542	10.3
144.09351	1.5
145.06552	1.8
145.10120	17.2
147.08080	2.9
147.11671	12.2
149.09651	5.1
149.13231	6.8
151.11237	3.3
151.14856	2.2
153.09071	1.5
153.12947	1.5
155.08568	9.1
157.10136	10.8
159.08119	2.6
159.11684	9.5
161.09637	2.2
161.13297	7.5
163.11197	2.9
163.14806	7.5
165.12834	1.5
169.10109	5.9
171.10451	1.3
171.11723	6.2
173.09773	1.4
173.11778	2.1
173.13222	9.1
175.11229	5.0
175.14819	7.0
177.12808	1.4
178.95496	1.3
181.10207	3.8
183.11757	4.7
185.13190	6.7
187.11348	1.7
187.14867	5.5
189.09695	1.1
189.11272	5.6
189.12776	1.6
189.16409	3.0
191.14430	1.7
193.12224	10.2
194.04744	1.3
195.11684	2.7
197.13266	3.6
199.14874	5.0
201.12906	1.7
204.18344	1.3
209.13261	2.1
211.13206	2.2
211.14957	3.0
213.16487	2.2
215.18063	2.2
217.19583	1.4
223.14900	2.3
225.16393	2.5
227.12671	8.0
227.18028	1.8
229.14333	1.7
235.14986	1.4
243.21140	10.2
245.13945	1.2
249.14693	1.2
254.49715	1.2
259.20593	1.5
261.18576	2.4
261.22241	16.9
267.15900	33.1
267.18668	2.1
271.17102	1.4
273.22244	1.9
279.23273	4.3
283.24176	2.2
285.22165	2.4
299.23785	3.8
301.22156	2.2
301.25211	9.4
303.23242	2.2
315.23105	1.5
317.24765	2.8
335.22125	2.6
335.25803	22.0
355.26245	1.9
359.25681	1.8
367.26251	1.5
373.27652	1.7
403.25003	1.3
407.24631	2.5
417.31723	3.5
425.34079	2.2
435.27090	2.2
435.32504	13.5
453.33716	17.8
471.34717	10.1
489.36093	1.5
491.35104	1.4
509.36227	4.5
527.37341	68.0
528.37921	3.6
545.38446	100.0
546.38623	4.5
567.82813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60489	0.5
53.03950	2.7
55.01870	3.3
55.05511	26.1
57.03167	1.1
57.03437	9.5
57.07072	2.7
59.05009	1.0
65.03943	3.4
67.05505	57.0
67.54135	0.6
69.03419	3.5
69.07069	14.9
69.07445	0.9
69.08382	0.6
71.04991	5.5
71.08633	0.7
71.44762	0.6
77.03925	1.6
79.05493	54.1
80.05821	0.6
81.03419	36.0
81.07054	53.6
82.07397	1.1
83.04980	9.6
83.08622	17.2
83.09090	0.9
85.02908	14.7
85.06528	2.7
91.05480	43.2
93.07044	51.5
95.04971	21.6
95.08604	31.6
97.02901	0.7
97.06531	4.5
97.10161	7.5
98.95978	0.7
99.08107	1.4
103.05446	0.7
104.39562	0.6
105.04539	4.0
105.07028	31.6
107.04964	5.0
107.08591	24.7
109.06503	4.3
109.10163	13.1
111.04487	1.7
111.08088	7.9
111.11749	0.6
113.06037	1.1
115.05489	2.6
117.07015	10.8
119.08580	25.7
120.08891	0.6
121.06551	2.2
121.10145	21.2
123.08097	2.6
123.11687	4.3
125.09618	5.8
128.06284	1.4
129.07010	10.7
130.07820	1.0
131.08565	19.3
133.06584	1.6
133.10132	16.2
135.08078	2.4
135.11679	11.8
135.12613	0.7
137.09647	1.7
137.13303	1.8
141.07019	1.1
142.07813	2.3
143.08577	4.7
143.10757	0.7
145.10123	11.2
146.82787	0.6
147.08034	3.3
147.11688	15.0
149.09627	3.9
149.13248	5.4
151.11279	1.2
155.08588	3.0
157.10147	10.6
159.08138	0.9
159.11707	6.6
161.09615	0.9
161.13268	4.5
163.11223	1.9
163.14861	1.4
165.12788	2.6
169.10175	2.3
171.11763	2.5
173.11819	1.1
173.13242	4.6
175.11201	8.4
175.14743	2.8
179.14320	0.8
183.11740	2.3
185.13327	2.4
187.14890	2.6
189.11301	2.6
189.16487	1.9
191.14363	0.8
193.12256	29.1
195.11794	0.9
197.13274	2.2
198.22450	0.6
199.14897	2.3
201.12720	0.7
201.16505	1.8
209.13353	0.7
211.13277	35.6
211.67665	0.6
213.16469	1.5
215.17973	0.7
223.14915	1.0
225.16454	0.9
227.12766	4.4
229.14235	1.0
243.21172	2.2
249.14932	0.8
259.20670	1.0
261.22110	6.3
267.15857	5.2
273.22339	0.6
275.20129	1.0
285.22104	1.0
299.23755	1.3
301.22159	1.0
301.25195	4.7
303.23248	1.3
315.23108	0.8
317.24820	1.9
327.23334	0.8
328.10059	0.7
335.25891	4.4
341.24933	0.9
349.89374	0.6
392.04596	0.6
417.31735	1.8
435.32608	4.1
453.33868	4.2
471.34814	4.1
472.35318	0.7
509.36243	1.6
517.39221	0.8
527.37262	21.7
528.38098	0.7
545.38501	100.0
546.38501	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01880	4.8
55.05256	1.9
55.05515	28.1
57.03441	7.1
57.07073	3.3
59.61887	0.9
65.03944	2.7
67.05509	55.8
69.03428	4.2
69.07071	17.4
69.14082	4.2
69.14481	2.4
71.04984	2.5
71.08643	2.0
79.05500	38.0
81.03426	24.6
81.07060	52.4
83.04980	5.9
83.08624	20.4
85.02933	2.3
85.06564	2.9
91.05486	28.1
91.53541	0.9
93.07050	36.6
95.04968	16.3
95.08614	36.1
97.06545	4.7
97.10175	18.7
99.08116	1.3
105.04552	1.6
105.07038	31.2
107.04973	6.7
107.08607	28.9
107.09337	1.2
109.06538	4.6
109.10164	19.4
111.08075	5.7
115.05491	1.2
117.07021	12.5
119.08581	23.4
121.06521	7.2
121.10162	18.3
123.08097	2.9
123.11726	7.6
125.09634	12.9
128.06226	2.3
129.07014	9.6
131.08572	23.1
133.06506	2.3
133.10133	16.1
135.08093	4.1
135.11708	9.4
137.09697	2.8
137.13298	1.9
141.07050	2.4
142.07828	2.9
143.08578	7.7
145.06516	2.2
145.10130	17.1
146.10355	1.1
147.08041	4.2
147.11707	11.9
149.09637	3.2
149.13275	7.5
151.11206	1.9
155.08565	4.3
156.54855	1.0
157.10143	8.5
159.08087	1.9
159.11717	10.9
161.09656	1.7
161.13280	7.5
163.11206	3.6
163.14896	2.4
167.08551	2.5
169.10179	4.1
171.11687	6.2
173.09683	1.3
173.13252	8.3
173.74951	1.2
175.11206	4.9
175.14870	4.0
181.10173	2.7
183.11728	4.0
185.13249	5.0
187.11282	2.5
187.13390	1.5
187.14812	5.5
189.11275	6.1
189.12756	1.3
189.16402	2.2
193.12263	11.0
195.11720	1.2
197.13318	2.5
199.14868	3.3
201.12630	1.3
201.16405	2.4
209.13316	1.4
211.13213	7.0
211.15108	1.6
215.14459	1.1
225.16335	1.9
227.12801	10.5
233.15469	2.0
233.22878	1.2
243.21193	3.0
245.19208	1.3
247.16951	1.9
249.18582	1.2
261.22192	12.5
267.15854	17.4
273.22186	1.5
277.21643	2.5
279.23257	1.6
283.20691	1.1
283.24161	1.9
285.22281	3.3
287.19934	1.4
299.23755	2.0
301.21808	2.0
301.25208	14.1
303.23315	2.5
317.24844	3.4
327.23203	1.3
329.21188	1.4
335.25842	16.4
343.22440	1.1
357.27841	1.1
359.25748	2.5
403.24567	1.4
412.15582	1.0
414.43988	1.2
417.31577	2.4
421.25699	2.0
435.27347	2.2
435.32684	8.9
453.33832	11.2
471.34744	9.4
489.36026	1.3
491.35074	1.1
509.36340	3.4
527.37354	54.2
528.37805	2.9
545.38422	100.0
546.38959	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	546.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35583	0.3
53.03940	0.5
55.01875	1.0
55.05511	0.8
56.05027	0.6
62.82594	0.3
65.31015	0.3
67.05518	1.9
67.05815	0.3
68.05023	0.3
68.92231	0.3
69.03442	2.7
69.30832	1.0
70.06600	2.8
71.04996	5.2
73.70709	0.3
79.05495	1.3
80.05018	2.3
81.07066	0.9
82.06570	0.6
83.01362	1.5
83.04990	2.0
84.08152	5.8
85.06566	0.3
86.09700	1.1
91.05487	1.6
93.07047	1.5
94.06559	2.0
95.04977	0.7
95.08601	2.7
96.08132	1.8
97.06526	0.5
98.06046	0.6
99.04452	1.4
105.07059	1.9
106.06536	0.5
107.08588	0.8
108.08115	1.2
109.06504	0.6
110.09708	0.9
111.04463	0.8
111.08098	2.3
113.06064	0.5
117.07030	0.5
119.04910	0.3
119.08591	0.6
120.08096	1.6
121.06503	0.8
122.07283	0.3
122.09679	3.3
123.08076	0.7
124.11240	1.8
125.06004	0.9
125.09614	1.1
127.03925	1.0
129.06999	0.4
129.10223	1.5
133.06496	0.5
134.09641	5.0
135.08069	0.7
135.10471	0.5
136.11215	3.5
138.06842	0.5
139.03944	1.0
139.07553	0.6
145.10101	0.3
146.09686	0.8
147.04514	0.4
147.11716	0.3
148.07701	0.4
148.11226	0.7
149.05969	1.5
150.09163	2.9
151.03902	0.5
151.07545	0.4
152.10710	3.6
153.09048	0.4
154.12280	1.4
155.03407	0.8
158.09650	0.6
160.11234	1.3
161.06009	0.4
161.12006	0.4
162.09123	1.5
162.12776	2.0
163.07599	0.8
163.13586	0.8
164.10733	0.9
164.14362	12.1
165.05510	0.5
166.06313	0.5
167.03429	1.7
167.07204	0.3
168.10207	1.6
171.08202	0.3
172.11275	0.5
173.09685	0.7
174.12784	0.9
176.14351	0.3
177.05493	0.3
177.09203	0.4
178.12318	0.4
179.07056	0.9
180.10236	0.8
181.08623	0.9
182.11771	21.6
184.11200	0.5
185.09651	0.4
186.12762	0.4
188.14383	0.4
189.09155	0.4
190.12207	1.7
193.08635	0.6
195.10175	0.3
202.12318	0.6
202.15897	0.3
205.08780	0.3
206.11798	1.2
207.06538	0.8
208.13339	5.6
208.15179	0.6
213.09131	0.4
214.12332	0.3
216.13728	0.5
217.08769	0.3
218.11867	0.4
219.10291	0.3
220.13333	1.0
221.08034	0.6
224.05833	0.5
231.10240	0.4
232.13319	2.7
233.11751	0.8
233.14223	1.4
234.14864	3.7
237.07596	0.4
238.14424	0.4
239.09227	1.3
244.16998	0.6
246.11258	0.8
246.15039	0.5
250.14496	0.5
251.09215	0.8
260.16522	2.1
260.19241	0.4
261.11530	0.4
261.17288	0.4
262.18042	6.4
264.16260	0.3
265.07074	10.6
272.16495	0.5
276.16034	1.9
278.17520	9.4
283.08163	0.8
290.17523	3.1
291.12256	0.7
306.17032	0.8
308.18597	3.9
320.12390	0.3
328.20374	0.3
368.18637	0.5
414.19092	0.4
430.22037	0.5
454.14853	0.4
458.21686	0.5
472.16489	0.6
496.23196	0.5
510.24915	0.4
528.25946	12.4
546.26971	100.0
547.27167	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	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01861	2.2
55.05503	13.6
57.03452	7.1
57.07068	3.9
65.03949	3.9
67.05508	81.6
68.05845	1.8
69.07076	16.0
69.78042	4.6
71.04983	3.1
71.08648	1.5
73.02903	2.4
79.05044	2.6
79.05494	43.9
81.03420	3.2
81.07060	79.6
83.04994	2.3
83.08629	10.0
85.02914	6.7
85.06535	4.3
91.05479	29.4
92.05786	1.9
93.07044	53.0
95.01331	4.2
95.04966	4.6
95.08608	68.6
96.08960	1.4
97.06535	4.8
97.10162	4.7
99.08083	2.4
102.73239	1.5
105.04530	2.2
105.07028	20.6
107.08601	37.0
109.06528	3.0
109.10160	37.7
110.10496	1.5
111.08071	3.0
113.02412	1.4
113.09705	2.3
117.07011	10.3
119.08578	17.2
121.02022	1.5
121.10153	34.2
123.08070	2.0
123.11722	18.0
125.09628	1.9
131.08559	20.1
133.10118	17.6
135.11696	27.2
137.09631	3.3
137.13263	7.8
139.11197	2.6
141.01816	6.4
143.08577	1.9
145.10139	19.4
147.11691	11.5
149.09633	1.7
149.13246	22.1
151.11163	2.8
151.14821	1.9
157.10092	1.6
159.11699	14.4
161.13263	11.6
163.14809	13.4
165.12773	1.9
171.11670	2.0
172.79250	1.3
173.13252	13.8
175.14841	6.0
177.12718	1.9
177.16411	5.7
179.14326	2.3
187.14842	10.4
191.14368	1.9
201.16393	3.4
205.15834	2.9
215.17921	2.5
233.22606	3.3
243.21091	33.8
247.39748	1.5
261.22147	100.0
262.22421	2.3
279.23178	5.9
312.60593	1.3
335.25861	27.3
353.26852	35.1
471.10648	1.7
475.27200	1.5
487.13708	2.9
511.28799	3.8
528.37329	4.9
529.14954	2.2
546.38745	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	546.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.3
57.07070	2.5
59.82163	1.9
61.02927	6.2
64.06407	1.7
65.03905	3.1
67.05512	37.0
69.07079	9.7
71.08630	3.3
79.05490	22.3
81.07058	50.3
83.08617	6.3
85.02923	7.3
86.09671	2.2
90.34656	1.7
91.03931	3.4
91.05487	15.1
91.19955	2.0
92.53941	1.9
93.07053	33.2
95.04975	2.4
95.08611	37.2
97.02898	4.6
97.06562	2.3
97.10179	4.7
105.07044	13.5
107.08598	21.4
109.10165	26.6
111.08113	2.3
117.06966	3.6
119.08594	13.8
121.06495	1.9
121.10159	23.6
123.11703	9.9
131.08568	12.0
133.10139	12.4
135.11716	19.6
137.13257	3.9
145.10132	12.3
147.11667	9.1
149.13264	15.8
159.11745	11.8
161.13222	9.1
163.14819	12.9
165.12811	2.9
173.13326	11.5
173.36214	2.0
175.14799	4.2
177.16374	5.1
179.14337	4.3
186.13924	2.3
187.14799	4.8
191.14366	2.8
201.16400	3.1
209.08391	1.9
233.22696	4.6
243.21106	33.5
261.22150	100.0
335.25647	18.3
353.26892	44.6
354.26962	2.3
362.64255	2.2
528.37561	7.9
546.38336	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	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.8
57.07084	3.0
60.22058	2.0
61.02915	6.2
64.38644	2.6
67.05503	38.3
69.07050	7.4
72.77097	1.8
74.42561	2.2
79.05500	22.5
81.07061	51.4
83.08611	5.4
85.02898	9.7
85.06560	2.1
86.09697	6.5
91.03967	3.2
91.05481	12.4
93.07045	32.7
95.04951	3.2
95.08605	33.9
97.02916	4.3
105.07013	14.5
107.08602	15.9
109.10165	31.5
110.06197	2.3
111.08107	2.1
117.07012	4.5
119.08578	7.7
121.06505	4.4
121.10126	20.8
123.11720	15.2
124.99979	3.6
131.08553	9.1
133.10126	8.2
135.08034	2.5
135.11696	20.8
137.13235	6.1
145.10120	8.7
147.11720	8.6
147.17348	2.2
149.13277	15.7
159.11676	9.9
161.13239	10.0
163.14825	14.6
165.12733	2.6
173.13234	12.5
175.14729	2.4
177.16365	5.4
179.14307	4.2
184.07314	24.1
187.14749	6.2
191.14304	3.4
224.27875	2.5
233.22612	4.8
243.21069	29.9
261.22134	100.0
279.23172	6.7
335.25754	25.3
353.26862	40.5
546.35614	3.8
546.79523	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	546.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	44.3
62.67702	12.6
67.05495	15.4
69.59637	28.1
69.60024	23.9
82.30727	10.6
82.85695	9.6
89.06005	13.5
90.30399	11.0
100.61005	12.8
125.65907	11.2
127.11158	29.1
127.69701	12.1
201.14911	13.8
244.57231	12.7
293.28909	12.1
315.90213	11.2
327.25308	75.5
353.26971	100.0
359.02914	12.6
371.27844	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98714	0.6
53.41832	0.7
55.01863	2.3
55.84208	0.6
65.03931	0.8
69.94054	2.3
71.01334	1.2
79.05494	7.1
80.76530	0.7
89.03909	0.9
91.05470	1.6
95.04956	2.1
95.80076	0.7
100.11236	1.2
101.04471	0.7
102.82652	0.9
103.05470	15.4
105.04482	1.5
105.07026	55.5
106.07378	1.3
107.04927	1.3
111.04444	1.4
115.05453	13.1
118.04159	1.9
125.05968	1.0
130.04152	1.5
131.04927	27.2
133.06490	44.9
135.04439	1.1
143.06024	5.5
147.04375	2.1
148.20398	0.8
150.03102	1.0
151.03912	26.2
151.05032	2.6
153.05501	1.5
159.08023	0.9
161.05974	100.0
162.06699	4.1
163.03992	1.1
163.07542	5.4
165.05482	3.2
173.02097	1.7
184.04936	2.3
185.05734	17.2
187.07564	4.4
189.05199	7.4
190.02367	2.4
195.06581	6.0
198.06499	1.1
205.08531	1.8
215.07031	3.0
216.82423	0.8
217.04739	6.2
218.05507	0.8
256.78015	0.7
339.12292	1.6
349.10468	1.1
351.12000	1.2
352.08948	2.0
357.13345	3.0
379.11499	26.5
419.79529	1.0
420.14304	0.9
436.41241	0.8
547.15710	22.1
548.15820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19405	0.4
69.03436	0.4
69.63937	0.9
69.64328	0.9
70.06561	0.5
91.05484	7.8
93.07047	0.4
95.01123	0.5
97.28678	0.4
98.96106	0.4
124.07819	0.4
129.35838	0.4
166.16949	0.4
178.21437	0.4
189.05127	0.6
203.05357	0.7
213.12709	0.7
227.05234	1.1
228.46906	0.5
241.12216	5.3
243.04779	1.2
245.06352	1.9
281.11414	0.6
285.05722	0.6
299.12396	2.0
327.12250	0.6
329.04688	0.7
359.77762	0.6
370.12347	0.9
395.12970	0.9
412.13281	0.7
415.17456	1.1
443.16635	0.7
457.18585	1.0
461.17807	8.3
485.17819	1.2
503.18860	22.5
504.18878	0.7
547.17847	100.0
548.18219	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	547.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03944	0.8
55.01878	3.7
57.03438	2.1
61.02913	0.7
63.28029	0.4
65.03940	2.8
67.05502	0.5
67.50728	0.4
68.99817	0.6
69.03423	2.9
70.06606	0.5
70.70396	0.8
71.01353	0.6
73.02917	0.9
77.03947	0.7
79.05496	2.4
79.06850	0.4
81.03416	3.8
81.07047	0.5
83.01338	0.7
83.18768	0.4
84.08155	2.9
85.02905	8.8
87.17671	0.4
91.05482	100.0
92.05807	1.2
93.03362	0.6
95.01328	2.1
95.04990	2.3
95.08574	0.5
97.02879	3.5
99.04503	0.5
103.03946	1.8
103.05463	2.3
105.03418	2.0
105.07030	94.3
106.07392	0.8
107.04956	1.4
109.02881	5.1
111.04444	0.5
111.08073	1.7
112.08407	0.7
115.05447	7.6
117.07014	2.3
119.04929	1.4
121.02860	5.8
121.06467	0.7
123.04457	2.5
125.02354	1.2
127.03922	0.8
128.06236	0.9
129.07027	3.4
131.04939	1.5
133.06491	8.4
135.04408	1.1
137.02357	0.6
137.05968	0.6
139.03897	3.7
141.06976	1.3
143.08559	1.2
145.06505	1.3
147.04381	2.3
149.02353	1.5
149.05942	1.0
151.03917	6.8
151.07559	1.0
153.06953	0.9
155.04915	1.7
155.08556	0.7
157.06479	9.7
159.04376	1.4
161.05954	2.3
163.03906	6.7
165.01816	0.4
165.07042	0.5
166.07863	0.4
167.08551	1.1
169.06529	0.8
171.04385	1.1
171.08127	0.5
173.06026	1.5
175.03886	3.4
175.07581	1.4
177.01901	0.9
177.05475	4.6
178.07785	1.2
179.08575	1.2
181.04982	0.5
181.06538	1.1
181.10049	0.7
183.04482	0.6
183.08101	0.7
185.05934	2.2
187.03925	3.4
187.07623	0.6
189.05438	2.8
191.03429	1.8
191.07031	0.9
191.08597	1.7
193.04955	1.0
193.06522	0.6
193.10124	0.8
194.07324	0.5
195.08075	0.7
197.05991	1.0
199.02315	0.5
199.03938	1.7
201.05490	4.3
202.07829	1.1
203.03473	1.7
203.06981	1.3
203.08614	1.4
204.09325	0.9
205.03020	0.8
205.04968	14.2
205.06497	0.6
205.10057	1.1
207.02892	0.5
207.08124	1.0
207.11626	0.6
208.05226	0.5
209.05945	0.9
209.09648	1.1
211.07501	0.9
213.05502	2.7
214.06293	0.5
215.03432	2.0
215.06873	0.9
215.08644	1.2
217.04956	10.0
217.06853	0.8
217.10149	1.6
218.07298	0.6
219.02933	0.9
219.06468	1.1
219.08195	1.2
220.08844	0.6
220.13368	2.6
221.06206	0.6
221.09616	0.9
221.13657	0.7
225.05492	1.8
226.06229	0.6
226.25694	0.5
227.03362	0.9
227.07025	1.3
228.09358	1.1
229.04936	5.4
229.10139	1.1
231.03043	0.9
231.06245	2.5
231.08420	1.0
231.11707	0.8
232.08888	0.9
233.04503	1.6
233.09625	1.5
234.06847	0.6
235.05733	0.8
235.07663	1.1
235.11351	0.7
237.05481	1.3
237.09143	1.0
239.03432	1.0
239.06956	1.0
239.10844	0.5
241.04984	3.8
241.10196	0.6
242.05559	0.5
243.02922	0.5
243.06352	2.8
245.04381	1.1
245.09666	1.5
246.10510	0.6
247.05652	3.3
247.11145	0.7
248.08310	1.2
249.09195	2.1
250.05923	0.4
251.07121	0.5
252.09291	1.0
253.05037	1.5
253.08316	0.7
254.05693	0.9
255.06348	2.3
257.04440	1.3
257.09567	1.7
258.05167	0.7
259.05823	4.7
260.08401	0.9
261.09119	2.3
263.07129	2.3
263.10654	0.9
265.08795	3.3
267.06537	0.9
269.04462	1.2
269.09790	0.5
271.06064	6.9
271.09705	3.3
273.09283	0.7
274.09735	0.7
275.07053	0.6
275.10745	1.0
276.08087	0.5
277.08609	3.9
279.10327	0.6
281.04337	0.7
282.05298	0.5
283.06070	3.1
283.09686	5.9
285.09207	1.6
286.09979	1.0
287.10632	1.0
288.07870	0.8
289.08691	3.5
289.11600	0.5
290.09265	0.5
291.06555	2.7
291.10172	6.4
295.06073	1.6
295.09686	6.2
298.09937	0.6
299.10477	0.7
301.07205	2.9
302.09406	0.5
303.06839	0.5
303.10196	2.4
305.08023	1.1
307.09601	4.6
309.07635	1.8
309.11261	2.6
311.05566	1.0
311.09106	1.0
313.07275	1.5
314.09293	0.9
315.10123	3.1
317.08060	1.1
317.11731	1.9
319.09711	7.0
321.11203	2.0
323.09271	0.7
325.07397	0.9
325.10712	3.5
327.10049	1.2
329.07990	1.5
329.11655	0.7
330.08649	0.6
331.09671	5.6
332.09976	0.5
333.11230	1.8
335.12854	0.9
337.10687	32.9
339.10220	1.3
340.11005	0.7
341.11664	0.8
343.09717	5.3
345.11301	4.1
349.10706	24.7
350.11145	0.6
351.08917	0.7
355.09598	2.4
357.11215	3.7
359.08914	0.5
361.10709	11.4
363.12146	4.0
365.10187	1.2
367.11966	5.2
369.11139	4.0
371.12955	0.7
373.10681	8.9
375.12256	2.4
377.10211	1.7
379.11829	15.7
379.16232	0.5
381.11420	0.5
385.10437	5.1
387.12360	4.0
389.09976	0.9
389.14304	0.7
391.11740	41.4
392.11957	1.0
395.11264	0.7
397.13095	9.2
399.12332	1.7
401.13974	0.7
403.11676	34.0
404.12091	1.2
405.13486	1.6
407.11417	0.6
409.12927	4.4
411.12167	1.0
413.12186	1.2
415.14026	49.0
416.13995	1.1
417.13321	0.6
421.12778	3.5
427.11786	3.8
429.12924	0.7
433.12833	30.8
434.13129	1.0
435.14053	0.5
439.11850	1.4
445.12814	11.9
451.13913	22.2
452.14383	0.7
457.12897	6.1
463.13864	12.9
464.14084	0.5
469.14929	26.1
470.15674	0.9
475.13907	8.0
481.14954	26.7
482.14761	0.8
487.18848	0.6
493.14938	11.7
499.15930	2.2
503.19617	1.0
511.16052	15.4
512.16162	0.6
529.17053	14.4
546.26019	1.2
547.17987	16.7
547.26532	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	547.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61638	0.5
65.53957	0.5
71.46219	0.6
74.02415	0.5
77.46500	0.4
78.16743	0.4
87.61232	0.4
91.05493	0.6
115.05457	0.7
117.05726	0.7
117.07031	0.8
118.06546	16.7
130.06502	1.5
132.08093	5.0
142.06529	1.7
143.07306	1.7
144.04453	0.7
144.08092	12.6
146.06006	61.7
147.06331	0.8
159.09184	7.1
160.07564	0.8
170.06004	4.7
188.07068	100.0
189.07430	1.4
205.09729	53.0
265.92877	0.6
297.82266	0.5
432.63803	0.5
440.35587	0.5
449.99527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3612
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
55.77779	1.0
57.00729	1.1
66.96815	1.0
67.05508	5.5
68.05833	1.0
69.07066	1.9
69.70567	2.4
79.05486	3.0
81.07063	3.3
89.06031	1.2
91.05489	2.0
93.06334	1.0
93.07033	1.5
95.08602	2.7
97.22308	0.9
98.22713	1.5
105.07029	2.5
109.10165	3.9
110.35929	1.0
121.06529	2.3
121.10249	1.2
133.08653	1.2
135.08054	1.8
170.44092	0.9
186.96854	1.7
195.09917	2.4
251.12587	1.6
309.95499	1.1
319.22653	2.2
375.25180	4.1
547.36096	100.0
548.36823	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	548.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.50233	0.5
56.05020	0.6
58.55252	0.6
58.99574	0.7
62.00668	0.9
65.03942	1.1
69.03416	0.8
69.10065	2.5
69.10468	1.3
70.02917	0.7
70.06562	0.7
75.80585	0.6
79.05486	0.8
80.81138	0.5
83.01340	1.6
83.06094	2.1
84.04504	11.1
84.08182	0.6
85.02892	1.1
91.05480	28.7
98.23535	1.2
98.97579	3.3
99.05572	1.8
100.11238	0.8
105.07027	12.8
106.07318	0.6
107.06103	1.8
108.04465	0.7
109.07641	2.2
115.05449	1.0
116.98641	0.9
129.06758	2.2
130.05003	2.4
135.02553	0.7
135.05519	0.7
139.03860	0.7
145.06125	1.3
146.06021	1.0
148.07631	0.6
151.07626	0.7
153.06606	5.3
155.08189	1.6
161.01175	0.7
162.05536	1.5
162.14737	0.5
165.06976	1.1
166.07681	0.7
167.08575	1.6
175.06276	2.5
176.07094	1.2
178.04990	2.3
179.04057	0.8
180.04805	5.7
181.06183	2.9
181.10066	0.9
182.99652	1.0
184.03372	0.9
187.02084	0.9
192.06564	2.7
194.02701	1.9
195.01031	0.6
195.08157	1.1
199.07259	2.8
200.07899	0.7
201.00687	0.8
206.02728	0.6
207.03511	2.4
208.02280	1.0
208.04259	20.6
209.04498	0.8
209.09644	1.4
211.02995	7.6
212.03777	1.7
221.05951	0.7
223.07642	1.1
224.08481	0.8
225.04703	0.7
225.07196	1.0
226.06844	16.1
226.08974	1.2
227.05241	4.3
227.07210	0.7
227.10774	1.1
229.12146	0.7
237.09225	1.2
239.07089	1.6
240.07758	1.6
241.08643	1.2
249.02829	1.1
250.03207	1.3
252.08205	5.2
253.06859	1.9
254.06334	9.5
255.04709	12.7
255.07112	1.0
256.05548	4.4
257.07761	1.2
264.10449	0.6
265.11069	1.6
266.09412	1.7
270.11444	1.0
272.07401	2.6
273.05582	0.8
280.07877	4.2
281.06223	1.4
282.06689	3.8
282.11270	0.8
283.07336	0.8
287.07489	1.3
291.03702	1.0
298.08954	17.4
300.10657	1.4
310.06143	17.3
316.10010	24.8
355.11139	1.3
373.11948	0.8
382.10986	0.8
401.11652	100.0
402.11990	3.1
410.16306	0.6
419.12943	0.7
473.13834	8.5
487.18375	1.1
488.18970	7.0
530.15588	0.8
548.17163	1.8
548.27802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01869	1.0
55.79673	0.3
57.03437	1.6
61.02932	2.5
67.05504	1.0
67.71728	0.4
69.03428	5.3
69.06706	0.7
69.07068	9.7
69.07448	0.6
69.61836	1.5
69.84923	0.3
70.06564	0.4
71.05008	0.6
73.02908	0.9
77.03928	0.7
79.05495	1.2
81.03414	2.5
85.02903	21.7
87.04485	0.4
91.03967	1.0
91.05480	0.9
92.20509	0.3
95.04968	1.6
97.02896	6.7
98.22654	0.4
99.04446	0.8
105.03398	0.4
105.07029	0.4
105.11684	0.4
107.04939	3.0
109.02866	1.9
109.06510	0.6
111.04464	0.5
112.59915	0.4
119.04901	0.6
121.06530	0.5
123.04437	1.1
127.03914	4.8
133.02843	6.9
136.62413	0.3
139.03897	1.1
145.04959	7.3
145.06158	0.7
147.04393	0.8
151.03900	89.2
152.04227	1.0
163.03879	0.5
163.06021	1.9
163.11314	0.4
164.05316	0.3
165.05472	2.5
187.03304	0.4
189.05487	0.5
189.07808	0.4
189.09099	17.7
207.10153	100.0
208.10497	1.7
213.09203	0.4
223.32982	0.4
231.10081	0.6
247.24110	0.4
296.14795	0.4
315.12079	0.5
333.13092	0.7
351.14319	1.2
451.21631	0.4
523.63379	0.4
548.25641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01869	1.0
55.79673	0.3
57.03437	1.6
61.02932	2.5
67.05504	1.0
67.71728	0.4
69.03428	5.3
69.06706	0.7
69.07068	9.7
69.07448	0.6
69.61836	1.5
69.84923	0.3
70.06564	0.4
71.05008	0.6
73.02908	0.9
77.03928	0.7
79.05495	1.2
81.03414	2.5
85.02903	21.7
87.04485	0.4
91.03967	1.0
91.05480	0.9
92.20509	0.3
95.04968	1.6
97.02896	6.7
98.22654	0.4
99.04446	0.8
105.03398	0.4
105.07029	0.4
105.11684	0.4
107.04939	3.0
109.02866	1.9
109.06510	0.6
111.04464	0.5
112.59915	0.4
119.04901	0.6
121.06530	0.5
123.04437	1.1
127.03914	4.8
133.02843	6.9
136.62413	0.3
139.03897	1.1
145.04959	7.3
145.06158	0.7
147.04393	0.8
151.03900	89.2
152.04227	1.0
163.03879	0.5
163.06021	1.9
163.11314	0.4
164.05316	0.3
165.05472	2.5
187.03304	0.4
189.05487	0.5
189.07808	0.4
189.09099	17.7
207.10153	100.0
208.10497	1.7
213.09203	0.4
223.32982	0.4
231.10081	0.6
247.24110	0.4
296.14795	0.4
315.12079	0.5
333.13092	0.7
351.14319	1.2
451.21631	0.4
523.63379	0.4
548.25641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82698	0.7
61.98080	0.7
67.01182	0.8
67.05505	2.9
71.10094	0.9
79.05486	2.8
79.74516	0.8
81.07040	2.3
90.45088	0.7
91.05481	3.6
93.07040	2.4
94.07378	0.9
95.04977	2.5
95.08592	1.1
103.05460	2.8
105.07069	4.4
107.04957	13.2
107.08577	1.7
109.10161	0.8
109.54993	0.8
121.06512	19.3
123.08062	1.3
130.03835	0.9
132.16910	0.7
135.08011	1.6
139.07535	2.1
142.87906	0.8
146.41791	0.9
150.06728	1.5
151.07538	9.6
152.06232	1.0
152.08319	7.4
152.69450	0.8
153.09013	0.8
161.06013	3.2
165.07028	1.9
165.09106	15.1
167.07118	1.9
167.08533	2.1
169.06464	1.5
174.15018	0.9
180.05679	1.7
181.06554	3.9
183.08009	1.1
195.08070	9.9
196.08821	6.8
197.05960	4.1
197.09677	1.2
198.06615	0.9
205.06372	0.9
209.05904	1.7
211.07468	2.0
211.38422	0.8
212.08304	10.6
213.09087	6.1
215.07025	1.0
223.07581	5.9
224.08292	8.1
225.05449	2.0
225.09050	1.9
226.06313	1.2
227.07124	6.0
227.10654	13.3
231.08308	0.9
237.09210	1.4
238.09972	2.2
239.06969	1.3
240.07770	7.5
241.08583	9.6
242.09369	22.4
243.06534	2.6
253.08698	1.5
255.10170	42.7
256.10461	1.8
258.08902	7.7
258.12488	4.0
259.13287	18.7
273.11215	100.0
274.11578	3.0
285.11465	0.9
329.87344	0.8
346.57971	1.0
353.89404	0.9
531.23730	8.2
547.39240	1.0
548.39502	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	548.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.9
59.67581	0.3
69.03437	0.9
79.05499	1.6
81.07056	0.8
84.08155	0.3
85.02902	1.2
91.05466	2.0
97.02871	0.8
105.07011	0.6
109.06516	2.3
111.08048	0.3
112.48458	0.3
115.05454	0.4
116.06221	0.4
117.07079	0.3
119.04944	0.5
125.22743	0.3
129.06979	4.2
130.93834	0.3
131.04906	1.4
131.08563	1.5
133.06479	0.4
141.07005	1.1
142.07780	10.9
143.08528	0.7
145.04915	0.5
147.08026	0.4
155.08586	0.7
157.10136	6.0
159.08031	1.5
174.10371	0.9
175.11186	0.4
189.12746	100.0
190.13054	2.2
207.32230	0.3
219.13710	0.3
252.10223	0.4
266.11945	0.5
272.16678	0.4
280.13156	0.5
281.14142	1.2
316.99640	0.3
322.17969	0.5
368.18515	4.0
386.19565	0.8
548.18225	1.5
549.15253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04859	2.8
51.43794	2.6
54.16925	2.5
55.05511	19.7
57.03437	6.9
57.07066	11.2
63.58020	2.6
67.05502	83.9
69.07061	24.9
71.08624	4.0
71.45108	3.5
79.05502	19.3
81.07055	100.0
83.04990	3.4
83.08623	22.2
85.02892	4.9
88.07607	4.2
91.05487	15.2
93.07041	26.6
95.01325	7.1
95.04954	4.1
95.08608	77.5
97.06575	7.3
97.10168	13.6
99.08091	5.0
105.07035	10.8
107.08585	17.6
107.47089	3.0
108.35205	3.0
109.10155	36.7
111.08103	4.9
111.11738	3.7
113.09691	3.1
119.08575	9.9
121.10151	24.0
123.11707	17.9
133.10153	15.4
135.11694	9.4
137.13240	9.7
141.01845	6.8
147.11728	8.9
149.02347	8.2
149.13240	8.5
151.14819	10.0
154.94139	3.4
155.14349	3.6
161.13275	15.1
163.14832	10.4
165.16444	8.9
167.14360	3.1
167.47995	2.8
172.95213	4.1
175.14813	11.2
179.18001	8.1
180.68611	2.7
189.16393	8.0
193.04994	5.2
237.07582	5.7
245.22612	67.9
246.99028	2.9
252.59314	3.5
263.23688	89.0
277.15994	3.9
321.71576	3.0
337.27365	68.9
338.34024	5.0
355.28400	5.5
513.30725	5.3
526.74896	3.2
548.24152	4.2
548.39069	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
55.01870	3.2
55.05287	1.8
55.05515	14.3
56.35137	1.4
57.03436	13.5
65.03927	2.6
67.05511	22.7
67.62477	1.4
69.03428	5.0
69.07063	8.9
69.08210	10.2
71.01326	1.4
71.05000	3.5
77.03936	1.8
79.05500	25.7
80.05822	1.8
81.03423	88.9
81.07060	20.0
83.04984	15.5
83.08627	21.1
85.02917	12.2
85.06553	1.7
91.05483	27.1
93.07058	14.8
95.04974	33.7
95.08614	8.8
97.02920	4.3
97.06541	31.3
97.10174	4.7
98.06861	7.1
99.71120	1.4
105.07047	19.3
107.04972	8.3
107.08614	9.5
109.06525	5.2
109.10140	2.6
111.04458	2.7
111.08086	9.7
113.06072	1.3
115.05472	2.2
117.06989	2.1
119.08583	19.1
121.06529	2.5
121.10162	7.6
123.08089	2.1
125.09634	4.4
128.06255	1.9
129.07040	10.1
131.04878	2.0
131.08571	11.8
133.06512	3.4
133.10123	7.9
137.09608	2.3
141.07010	1.7
142.07761	3.0
145.06535	3.9
145.10127	3.0
147.08026	2.9
147.11681	11.5
149.09628	6.3
157.10139	12.8
159.08022	1.6
161.05989	2.1
165.12798	2.0
169.06447	1.7
175.11183	11.3
181.68790	1.5
184.07413	1.7
193.12271	30.4
211.13293	23.1
211.15115	2.0
213.09024	2.0
228.11179	1.4
233.15242	1.5
249.14934	4.6
259.09656	2.0
259.82404	1.6
260.10004	2.8
267.15927	100.0
269.87817	1.5
270.69617	1.5
273.14883	3.6
285.17050	20.1
286.15283	1.5
311.12854	2.1
312.12970	3.5
314.14572	2.6
328.16299	2.1
332.16260	1.4
349.21799	3.3
355.15463	6.3
356.15768	16.9
359.14456	1.5
367.22791	9.2
374.16821	3.1
385.23645	10.8
403.24374	2.3
433.25790	8.8
441.26059	3.0
459.27457	46.1
477.28503	47.0
478.28833	2.4
530.21185	2.5
548.21552	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	548.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.4
56.05029	0.6
58.06614	0.5
58.76610	0.3
59.20551	0.2
60.07867	0.4
60.08161	6.5
60.56119	0.3
63.30796	0.2
67.05490	0.6
69.07051	0.4
69.13781	0.5
69.14182	1.2
71.07377	3.2
81.07060	0.5
83.08615	0.3
85.16023	0.2
86.09705	31.6
91.05469	0.5
95.08598	0.4
98.98464	3.2
104.10722	2.5
121.06513	1.2
123.07993	0.2
125.00001	21.5
135.07983	0.3
151.07523	1.2
184.07338	100.0
185.07710	0.6
203.10623	0.4
211.11087	0.3
238.39127	0.3
239.10713	1.3
253.12251	1.3
254.10573	0.5
254.13022	5.1
255.13686	0.9
261.11197	0.8
268.10861	0.6
281.11691	0.2
297.14810	1.0
336.17755	0.2
353.71420	0.3
485.22861	0.3
513.22510	1.0
530.36206	1.3
548.37250	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	548.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.05034	1.1
58.06583	1.6
59.07372	0.4
60.08163	17.2
60.23073	0.4
67.05504	2.2
69.07054	1.2
71.07373	6.2
79.05494	0.7
81.07044	3.1
83.08635	0.6
85.70169	0.4
86.09702	50.3
89.03923	0.6
93.07012	0.6
95.08598	1.6
98.98465	3.2
104.10740	100.0
105.11072	0.5
109.10159	0.5
114.98529	0.3
117.03385	1.6
118.03716	0.4
121.10184	0.5
125.00002	28.8
143.01071	0.4
145.02849	2.5
146.03171	1.1
147.04425	0.4
148.06610	0.3
149.06041	0.3
150.06332	0.4
156.32379	0.3
163.01520	0.5
173.31917	0.3
177.05444	5.2
178.05823	1.9
184.07332	97.1
185.07666	0.6
217.65204	0.3
258.11081	1.1
258.50931	0.3
261.23517	0.4
287.76962	0.3
299.16974	0.4
316.33301	0.3
365.30515	0.5
456.13458	0.4
471.28510	0.4
530.36078	7.5
537.45746	0.4
548.37091	35.4
549.37524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.0
56.58753	2.8
57.03434	5.3
57.07070	7.2
57.11025	2.8
57.26904	3.3
57.30838	3.4
58.97805	2.8
61.02928	7.2
67.05505	47.9
69.07080	16.1
69.18163	8.2
69.18574	16.5
71.08597	3.2
78.06568	3.3
78.60703	3.0
79.05479	13.8
81.07054	54.9
83.08615	12.9
85.02908	6.4
86.09682	4.3
88.07641	5.1
91.03942	4.0
91.05479	16.6
93.07032	19.8
95.08613	50.2
97.10181	10.6
105.07037	12.4
106.07292	3.8
107.08585	9.0
109.10159	30.3
111.11711	4.3
113.09592	3.5
119.08553	4.2
121.06512	12.9
121.10147	20.5
122.06808	5.5
122.63228	3.8
123.11696	16.7
133.10130	9.9
135.08076	11.9
135.11684	10.0
136.08372	5.4
137.13264	8.3
147.11661	5.5
149.02267	6.4
149.13257	7.3
151.14816	6.9
161.13271	13.3
162.21611	3.3
163.14807	11.3
165.16350	10.4
172.95338	3.8
175.14772	9.0
179.17914	9.5
181.81111	3.2
189.16399	3.8
193.04965	4.7
214.45163	3.0
237.07527	6.5
245.22641	67.1
263.23703	100.0
302.55197	3.2
311.04498	3.0
337.27350	62.6
355.28482	7.5
474.20001	5.4
548.39551	17.4
570.66650	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	549.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01861	1.6
61.96917	0.6
65.03908	0.8
68.99786	0.7
69.34939	1.5
69.35350	2.2
77.03934	0.8
78.04718	1.4
79.05468	1.3
80.59064	0.6
89.03906	5.0
91.05476	11.3
93.07029	1.3
95.04970	6.1
95.08472	0.6
102.04681	10.8
102.60332	0.6
102.65569	0.6
103.05464	14.7
105.07028	4.2
106.04161	2.0
115.05472	2.5
117.03386	12.6
117.06979	0.8
117.67648	0.6
119.04937	3.5
121.06493	1.8
121.87352	0.6
122.03659	0.8
123.04409	5.3
130.04167	7.3
131.04922	9.0
132.05696	1.0
133.06464	2.8
134.03654	2.1
137.05988	4.3
143.04921	0.9
144.05655	1.1
145.01697	1.3
145.02846	23.0
145.06503	1.0
147.04416	11.3
148.87091	0.6
149.05968	6.9
151.03889	0.9
160.05173	1.5
161.05972	10.3
162.03102	2.5
162.06749	15.9
172.05144	1.2
173.05978	0.7
175.07533	1.5
177.05461	33.8
178.06148	2.1
178.07684	0.7
187.07571	2.6
187.65456	0.5
188.08310	1.0
189.05458	1.5
189.07010	1.5
190.07756	1.4
191.07024	3.3
191.08559	1.9
193.04971	9.4
201.05450	3.4
205.04883	1.4
205.06589	0.8
206.07324	1.1
207.08052	0.8
213.05461	1.3
218.07225	0.9
219.08060	2.9
227.87939	0.7
231.06506	19.0
232.06905	0.7
232.68205	0.7
234.06790	1.9
235.07500	1.8
245.06021	1.1
246.06638	0.8
247.07593	1.5
249.09222	1.7
262.06207	1.3
263.07034	1.8
277.08594	2.0
290.05685	0.9
291.06461	0.9
294.08511	0.7
295.09708	1.9
305.08063	1.2
323.09119	100.0
324.09512	2.1
325.10321	0.7
337.10550	1.5
355.11740	15.1
507.11844	0.7
548.28333	2.5
549.28943	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01864	1.1
57.03428	1.2
61.02924	1.4
63.64785	0.4
68.99787	1.0
69.03436	7.2
69.89711	0.7
69.90041	0.8
70.06581	1.0
71.01334	0.4
71.04981	0.8
72.88459	0.4
73.02913	0.7
76.91203	0.4
81.03433	3.9
85.02409	0.9
85.02911	17.5
87.00832	6.3
97.02892	3.3
98.22720	0.7
99.04449	1.6
103.05464	2.3
105.01868	4.4
109.02872	3.8
127.03920	6.9
129.01830	0.6
131.04929	6.5
137.05959	0.6
145.04973	1.5
150.65512	0.4
159.02917	1.3
160.93851	0.5
161.06001	1.6
163.07524	1.7
165.07053	0.7
165.09001	0.4
166.07751	0.7
167.07030	0.5
181.10129	1.2
183.06551	0.4
183.08055	1.6
185.05901	1.0
185.09628	0.8
193.10057	0.5
194.07388	0.8
195.08064	1.1
196.08871	0.6
197.09612	1.4
198.10236	0.5
203.03798	0.4
207.08046	0.5
208.08791	2.6
209.09621	11.5
210.10370	1.0
211.07512	3.8
211.11169	0.6
212.08328	1.0
219.08028	0.9
221.05951	0.6
221.09589	0.5
222.06711	2.8
222.10205	0.4
223.07613	1.3
223.11179	3.7
224.08342	2.5
225.09071	1.3
226.09877	9.8
227.10600	0.6
231.05028	1.4
235.07610	1.0
236.08340	1.3
237.09106	9.4
238.09872	9.4
239.07057	3.3
239.10721	2.0
240.11458	1.0
241.08540	0.9
241.12227	10.8
243.10109	1.0
250.09848	0.7
251.10672	2.6
252.11455	2.8
253.08580	3.0
254.09396	20.1
255.09840	1.1
255.13872	0.7
256.60907	0.5
265.12296	1.7
266.13058	0.6
267.10297	2.9
268.11026	2.1
269.11722	100.0
270.12158	3.7
271.09619	1.6
273.14719	0.4
278.09451	1.0
279.10257	0.6
281.11923	0.6
283.13217	2.7
284.10553	0.7
286.11951	3.9
289.12170	0.8
291.10010	0.8
292.11157	0.7
293.11737	2.2
294.12384	1.2
299.12772	1.2
301.14337	70.2
302.14691	2.1
305.11542	1.0
307.13345	1.7
309.11261	0.5
310.11969	2.2
321.14899	0.6
323.12897	0.7
325.10861	0.8
325.14362	9.8
334.11893	0.8
335.12732	1.4
336.13602	1.2
339.15817	1.0
348.13611	0.5
349.14096	0.9
360.13290	0.5
363.16086	0.5
363.80396	0.4
367.15421	7.4
376.13318	0.7
377.13837	1.0
381.13138	0.6
391.15350	5.3
409.16464	5.2
495.16220	0.9
513.17621	0.9
549.18207	0.7
549.29852	0.4
569.30304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2468
Annotation	CHEBI:69788
Peak:m/z	Relative Intensity
63.61671	1.5
64.39970	1.6
65.15347	1.3
67.05499	4.4
74.83826	1.5
78.95835	1.4
79.05489	1.6
81.03387	3.4
81.07041	3.3
83.04964	1.6
91.05488	2.6
93.07047	1.7
95.04958	2.1
103.57595	1.5
105.07066	2.7
107.08563	2.7
109.10175	2.9
119.08554	1.9
133.10124	2.5
151.11160	2.1
207.50427	1.6
253.14343	8.1
254.14662	5.3
267.15863	3.2
271.15143	1.9
464.27234	5.0
467.18555	2.7
549.24567	100.0
550.24774	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	549.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
56.92488	0.3
57.03433	9.0
61.02920	2.8
67.05490	0.8
69.30279	1.7
72.67753	0.4
73.02943	0.3
78.04697	0.4
81.07050	0.7
86.09702	1.7
89.03904	3.5
91.05469	0.6
95.08597	0.8
117.03372	11.4
117.05486	20.7
124.99982	1.3
134.03590	0.4
135.04407	1.0
145.02837	36.6
146.03262	0.4
149.05968	4.5
177.05457	100.0
178.05765	1.2
184.07326	5.8
185.07663	1.2
186.05487	2.6
195.06429	0.4
293.10294	0.5
399.86084	0.4
433.29166	0.5
531.33319	3.8
549.34271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47292	0.4
63.02345	0.5
67.05496	1.1
89.03915	7.8
89.04463	0.7
91.05447	0.6
93.07046	0.5
95.08597	0.6
103.04546	0.4
103.05411	0.5
106.04195	0.6
107.23755	0.5
117.03376	22.6
134.03616	1.5
135.04413	1.6
145.02844	51.7
146.03191	0.6
149.05981	9.0
163.03857	0.7
177.05469	100.0
178.05779	1.8
184.07378	0.8
186.05515	3.6
210.97681	1.1
251.09192	0.7
254.72479	0.5
317.42163	0.5
531.32990	4.9
549.25079	0.9
549.35706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34683	0.4
52.73893	0.4
53.03946	2.2
55.01876	3.3
57.03430	2.5
60.04519	0.4
61.02930	2.5
68.99778	1.1
69.03428	14.9
69.20852	2.7
71.04979	1.6
73.02916	2.3
78.10647	0.4
81.03416	8.9
81.07062	0.6
83.01367	0.5
85.02905	34.4
87.00278	0.7
87.00828	12.9
87.04509	0.6
91.03945	0.4
95.08612	0.5
97.02898	9.0
98.23529	0.9
99.04450	4.3
105.01869	13.8
108.04498	2.5
109.02885	10.6
117.01865	1.4
121.06468	0.6
126.05550	1.0
127.03910	19.5
129.01816	1.4
136.11253	0.5
137.05998	0.6
145.04956	8.1
147.02916	0.9
159.02882	5.5
169.10115	0.7
175.11281	0.5
181.10075	0.5
183.08099	0.5
184.07288	0.4
189.03944	0.9
192.09293	0.8
193.10188	0.5
195.08099	1.4
196.08902	0.6
197.13214	0.6
207.11702	2.6
208.08824	0.6
210.10378	5.3
211.11107	1.2
213.03961	0.8
220.08841	1.4
223.11113	0.9
225.12762	8.8
227.10664	1.5
230.06563	0.9
231.04991	6.5
235.11073	3.1
236.11723	0.8
237.09116	0.9
238.09869	13.5
239.10716	2.2
242.13029	0.9
248.07716	1.8
249.06104	1.0
249.12784	0.5
249.18422	0.9
251.10692	1.7
252.11472	1.6
253.12242	39.0
254.13010	16.4
255.10214	2.3
255.13434	0.5
266.08539	0.8
267.10077	0.5
267.13837	1.0
268.10852	2.2
269.11865	0.9
270.12491	11.3
270.15256	0.8
275.58081	0.5
277.12201	1.3
278.12988	0.7
283.13275	4.1
285.14841	100.0
286.15204	2.6
309.14835	5.3
327.15887	2.0
351.15805	2.9
375.15936	0.8
388.20996	1.0
393.17014	0.9
483.84387	0.5
497.18106	1.0
550.18805	0.8
550.27844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67814	0.7
53.03951	4.3
55.01877	6.2
57.03437	4.6
60.61594	0.7
61.02928	5.2
61.14506	0.8
63.26588	0.8
68.99795	2.9
69.03431	28.3
69.74200	2.2
69.74522	0.8
71.04983	3.2
73.02914	3.6
81.03417	20.7
83.01354	0.9
83.04955	0.8
85.02905	76.8
85.80228	0.7
87.00826	24.7
91.03970	1.3
95.08645	0.8
97.02891	21.9
99.04460	10.5
101.02370	0.9
105.01869	29.2
108.04492	2.6
109.02876	25.3
115.03903	1.0
117.01855	2.1
126.05544	1.5
127.03920	48.8
129.01837	3.3
145.04962	21.1
147.02893	2.9
159.02892	10.8
171.02864	1.2
181.10074	1.2
183.08110	1.0
189.03922	2.6
195.08118	1.8
207.11726	3.4
208.08865	1.5
210.10410	7.3
211.11128	1.1
213.03967	2.5
220.08809	1.8
223.07433	1.0
223.11130	1.7
225.12726	9.8
231.04990	13.7
235.11180	3.6
236.11978	1.1
237.09216	0.9
238.09895	16.5
239.10603	2.3
242.13004	1.2
248.07700	1.7
249.06017	2.5
249.12709	1.3
251.10745	4.2
252.11475	1.8
253.12233	37.7
254.12997	15.2
255.10080	3.3
267.13928	1.1
268.14474	0.9
269.11548	1.9
270.12527	13.1
277.12180	1.9
283.13303	7.6
285.14847	100.0
286.15259	2.5
289.12216	0.8
295.13321	2.8
309.14893	11.2
327.15887	4.9
351.15915	5.7
375.15875	3.2
388.21283	1.3
393.16992	2.2
394.79529	0.9
434.21487	1.3
497.18027	2.4
550.28223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01861	0.3
57.03427	0.4
61.02927	0.7
69.03435	1.5
69.54922	0.2
69.55268	0.7
71.04996	0.3
73.02906	0.3
74.91092	0.2
77.03925	0.4
79.05499	1.6
81.03413	0.4
81.07040	0.4
83.04975	0.2
85.02406	0.3
85.02905	5.1
90.35583	0.2
91.03949	0.4
91.05493	0.5
93.07027	0.4
95.04987	1.0
97.02897	1.8
99.04427	0.2
103.05451	0.3
105.04536	0.3
105.07016	0.7
107.04948	4.0
109.02869	0.9
113.16239	0.2
115.03924	0.2
117.07028	0.3
121.06493	0.9
123.04420	0.3
127.03915	0.9
131.04927	0.2
131.08578	0.4
133.06488	1.5
135.04413	6.9
135.08063	1.0
137.05983	3.6
145.04962	1.1
145.06476	0.3
145.10133	1.7
147.08066	0.4
149.05980	18.6
149.09602	0.9
153.05464	8.6
155.08534	0.3
158.07291	0.5
161.09596	0.4
163.07535	0.2
163.11176	0.7
167.07092	0.4
173.09616	10.6
174.10063	0.4
176.08327	0.6
191.10663	100.0
192.11002	2.3
298.73599	0.2
353.16034	0.5
388.14487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01871	0.4
57.03421	0.6
61.02915	0.7
63.23223	0.2
67.01865	0.2
69.03424	1.5
69.07064	0.5
69.43142	1.0
71.04981	0.3
76.82243	0.2
77.03918	0.3
79.05492	2.2
81.03416	0.5
81.07035	0.3
82.51583	0.2
85.02902	5.3
91.03934	0.5
91.05493	0.5
93.07024	0.4
95.04977	0.9
97.02889	1.6
103.05468	0.5
105.04518	0.5
105.07014	0.8
107.04954	4.2
107.08611	0.2
109.02891	1.1
117.06955	0.3
119.39050	0.2
121.06502	0.7
123.04432	2.9
127.03909	1.2
130.07813	0.3
131.08569	0.4
133.06491	1.5
135.04413	6.9
135.08101	0.9
137.05980	3.7
145.04948	1.7
145.06525	0.3
145.10120	1.8
147.08006	0.5
149.05975	19.5
149.09514	0.9
150.06262	0.3
153.05466	8.7
155.08569	0.4
158.07268	0.8
161.09532	0.2
163.06007	0.5
163.11208	0.8
167.07013	0.6
173.09613	10.4
174.09964	0.2
176.08339	0.6
179.10669	0.8
180.08673	0.4
191.10661	100.0
192.11017	2.4
209.11746	0.4
250.87839	0.2
270.77298	0.2
353.15802	0.4
399.58600	0.2
426.85657	0.2
544.24316	0.2
571.97827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.01848	0.9
57.02710	0.7
57.03401	2.6
61.02883	3.1
64.10256	0.6
69.03427	10.3
70.06576	1.0
71.04946	2.9
71.05288	0.8
73.02879	2.4
81.03372	3.1
85.02892	10.2
87.04426	2.5
90.07433	0.6
91.05424	1.3
97.02901	5.5
99.04447	6.0
101.02357	0.8
105.03400	0.7
105.06967	1.3
109.02863	1.4
111.04098	0.7
127.03864	2.1
128.47519	0.9
132.07999	0.7
137.05952	1.0
145.04967	0.9
153.05405	1.7
154.05782	0.7
167.07063	0.9
170.09573	1.3
171.10443	2.0
172.11165	3.1
182.09633	2.0
184.11157	3.3
196.11278	3.4
197.11974	10.9
197.13600	1.2
198.12790	15.4
199.13550	3.4
200.14328	5.3
202.84016	0.7
208.11137	1.4
209.11946	1.2
210.09056	0.9
210.12766	2.7
212.14250	1.3
214.12276	4.7
216.13840	0.9
222.12741	1.9
223.13490	2.6
224.14326	25.6
225.14960	2.7
226.15912	6.2
227.16606	1.0
236.14360	1.9
238.15875	3.4
242.11658	0.8
242.15338	3.0
250.15945	3.5
251.16710	1.4
252.13760	2.8
252.17439	1.6
254.15353	1.1
268.13416	0.8
268.16949	1.9
270.14859	40.4
271.15668	4.2
272.16431	2.6
282.14905	1.9
283.15524	2.2
286.17978	3.2
296.16458	9.8
297.17169	2.5
298.17929	3.0
306.18475	2.1
308.09875	1.5
314.17538	8.1
324.19589	6.9
326.21085	1.0
339.12344	0.8
340.12616	1.5
342.20639	3.2
344.18539	18.5
344.22629	1.6
352.19217	1.2
361.39575	0.8
370.20114	23.3
388.21155	100.0
389.21509	3.6
399.18478	0.7
476.48203	0.8
504.25769	0.9
550.26453	66.2
551.26190	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	550.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03936	0.4
53.92579	0.2
55.01868	0.3
55.05509	0.6
57.03423	0.4
57.89541	0.2
60.08168	0.9
67.05508	0.9
69.03440	0.6
69.07069	1.5
71.04982	0.3
76.04007	0.7
77.03929	0.7
79.05504	0.9
81.03422	0.6
81.07054	3.7
83.08628	0.5
85.02900	1.0
85.06534	0.4
86.09702	3.3
91.05484	1.1
93.07035	1.4
95.04980	1.5
95.08615	1.3
97.06540	1.4
97.10191	0.4
98.98443	0.5
99.04455	0.5
102.04710	0.4
103.05469	42.2
104.05820	0.3
104.10754	1.6
105.04510	0.4
105.07037	1.5
107.04961	0.4
107.08589	1.5
109.06520	0.5
109.10185	1.4
111.08080	0.3
115.03944	0.5
117.07000	0.5
119.08601	1.1
121.06530	0.3
121.10143	0.9
123.11721	0.8
124.11232	0.4
124.99993	2.7
127.03914	0.6
131.04929	100.0
132.05287	1.1
133.04964	0.2
133.10146	1.0
135.08067	0.2
135.11691	0.6
142.12292	0.4
144.08080	0.4
145.06503	0.3
147.11691	0.9
149.05995	1.0
149.13225	0.5
151.29459	0.3
159.08098	0.6
161.09505	0.3
161.13281	0.4
163.07544	31.8
163.14812	0.3
164.07886	0.5
165.12816	0.4
172.30403	0.2
175.07458	0.3
179.10736	0.3
183.06551	0.3
184.07346	11.9
186.12775	0.6
187.07498	0.5
187.13533	0.7
203.18013	1.1
214.15935	0.4
219.10333	0.4
221.19016	1.6
229.08611	0.4
232.07210	0.3
242.15343	0.7
247.09644	4.2
273.11108	0.4
275.12677	0.3
284.22250	1.4
313.14377	0.3
370.20206	2.7
378.17984	0.2
388.21173	28.1
389.21469	0.7
398.15985	0.3
532.21375	0.3
532.29712	0.5
550.30066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38051	2.6
55.01881	4.1
55.05507	11.4
57.03427	8.4
67.05503	33.4
69.03419	28.4
69.07069	18.2
70.82850	2.9
70.83170	3.2
71.69814	3.0
79.05497	14.5
81.03398	4.7
81.07053	55.4
83.04988	4.9
83.08629	5.5
85.02904	32.4
85.06526	3.5
87.04467	18.2
91.05489	23.1
93.07048	68.5
95.04967	11.3
95.08601	61.4
97.02896	26.7
97.06495	5.1
97.10192	3.9
100.07623	7.9
105.07037	52.1
107.04982	3.3
107.08588	55.8
109.06509	6.5
109.10155	100.0
111.08090	8.6
115.03929	28.7
119.04861	3.6
119.08585	39.2
121.06539	5.3
121.10133	29.9
123.08118	6.1
123.11710	12.7
127.03941	11.6
128.51334	2.5
131.08609	6.6
133.04968	31.1
133.10146	30.2
135.08057	3.4
135.11703	53.0
137.05965	3.1
145.04968	8.9
145.10109	3.5
147.11691	45.5
149.09610	4.4
149.13287	5.0
151.11221	3.1
153.74837	2.7
157.10170	3.4
159.11732	5.4
161.09502	2.7
161.13239	15.5
163.11214	4.2
165.12762	7.6
175.14865	8.0
203.17946	69.6
209.15344	8.6
221.18933	3.9
243.58049	2.9
250.17932	3.2
295.10266	5.6
299.20135	3.5
335.22153	7.0
388.21085	7.7
414.18881	10.1
532.29053	5.4
550.30090	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	550.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.9
57.07070	1.0
58.06590	1.1
60.08167	16.9
67.05492	1.9
69.07052	1.9
69.68642	1.4
69.69030	0.9
71.07371	6.1
81.07044	1.1
83.08654	0.8
86.09709	44.7
95.08596	0.9
98.22492	0.6
98.98465	3.2
104.10744	91.0
109.10202	0.9
125.00007	23.7
125.00929	1.1
148.60735	0.5
166.35938	0.6
184.07346	100.0
185.07616	0.8
196.73543	0.6
197.30972	0.6
210.97737	0.7
258.10983	1.2
284.02551	0.6
494.78333	0.6
532.37689	8.4
550.38708	32.6
551.39001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	13.1
56.12327	2.5
57.03443	18.1
57.07087	14.8
60.05646	31.1
67.05508	19.1
69.07069	31.9
69.44463	2.4
71.04987	4.5
71.08617	9.0
79.05484	7.1
81.07061	27.3
83.04973	3.5
83.08616	22.7
85.10181	4.1
85.97539	2.5
86.20186	2.8
93.07059	14.4
95.08606	36.5
97.06517	8.6
97.10184	18.9
107.08585	11.7
109.10157	17.0
111.04456	4.0
111.08058	4.2
111.11703	6.6
117.05495	21.4
119.08613	3.6
119.23810	3.0
121.10170	14.7
123.11678	9.4
125.09639	4.5
135.11702	15.6
139.11172	5.2
149.13194	5.3
182.95247	2.9
321.27795	9.2
329.87921	2.9
339.13843	3.0
343.28516	13.3
349.27216	9.8
381.29846	4.0
397.32864	7.8
399.31012	5.5
412.45032	3.1
423.31058	48.5
441.32086	14.2
497.34793	100.0
498.34930	8.1
509.68008	3.5
515.28479	4.3
515.35834	62.7
516.35895	3.2
551.27960	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	550.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.7
55.55082	1.9
57.03433	6.0
57.07076	11.0
67.05504	13.3
69.07071	17.0
69.55206	8.2
71.08640	10.5
79.05478	3.6
81.07052	17.2
83.08622	13.9
85.10181	5.5
86.09749	2.1
93.07053	5.2
95.08609	17.5
97.06539	3.7
97.10185	8.7
104.10733	2.2
107.08615	4.1
109.10168	10.6
111.08102	3.3
111.11738	2.5
117.05479	5.0
121.10156	8.0
123.11755	3.5
125.09593	2.3
135.11700	6.2
137.13239	1.8
139.11182	1.9
149.13289	5.9
163.14703	3.1
184.07344	2.0
214.16660	1.8
224.46144	1.6
317.28418	2.6
331.61407	2.1
335.29480	4.3
343.28580	2.9
349.24033	2.0
371.31558	19.6
381.29947	5.0
409.33154	29.1
427.34180	32.5
441.31863	2.2
483.36768	14.8
501.37854	100.0
515.35754	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
57.03429	6.6
57.07074	9.9
67.05502	12.1
69.07069	11.9
71.08617	7.4
76.49000	2.1
77.83221	2.2
79.05523	4.7
81.07060	16.2
83.05003	2.8
83.08636	13.2
85.10188	3.6
93.01579	1.9
93.07021	6.4
95.08594	13.1
97.06545	4.7
97.10175	9.5
107.08594	6.8
109.10143	5.6
111.08089	3.3
111.11721	2.4
115.07599	1.9
121.10114	8.3
123.11716	3.3
125.09579	2.2
135.11690	8.7
137.13252	2.9
137.84700	1.9
139.11148	2.4
149.13272	3.5
163.14780	3.4
167.14397	2.9
219.17451	2.1
223.00827	1.9
280.61548	2.0
335.29218	2.3
337.40909	2.2
366.42532	2.2
371.31592	13.4
409.33087	43.7
427.34207	39.2
467.77551	2.1
483.36865	11.0
493.22714	2.7
501.37848	100.0
502.37796	2.9
550.44098	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	550.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	7.0
57.07067	7.5
67.22688	6.5
69.26561	27.8
71.08617	7.7
81.07063	15.4
95.08613	11.6
144.85605	6.8
198.78889	6.6
278.41534	7.6
279.44153	7.8
357.30148	16.7
390.40341	7.3
395.31409	19.1
413.32626	24.1
469.35193	23.8
487.36243	100.0
550.32605	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	550.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
56.38354	0.9
57.03445	2.0
57.07073	4.1
60.08158	4.7
62.13380	0.8
67.05511	3.6
69.07066	4.5
69.42074	3.4
71.07378	2.2
71.08650	2.1
75.75397	1.0
79.05492	1.4
79.98006	0.9
81.07056	5.4
83.08624	3.6
86.03737	0.9
86.09706	28.8
93.07044	1.8
95.08614	4.0
97.06531	2.1
97.10181	3.8
98.22642	1.4
98.98481	1.8
104.10754	2.4
107.08619	1.2
109.10184	2.4
111.08055	1.2
111.11738	1.6
121.10155	2.1
122.39147	0.9
122.44273	0.9
125.00019	18.9
135.11708	2.1
145.02905	1.9
149.13173	1.1
177.05493	2.1
184.07344	100.0
239.57274	1.0
342.00983	1.0
385.33084	2.1
423.34708	4.1
441.35815	3.9
497.38205	2.5
515.39429	17.7
550.38544	4.2
551.35272	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	551.1037
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.97078	0.4
53.03933	1.7
55.01877	2.0
55.86400	0.4
57.03421	0.6
61.02908	1.0
62.67965	0.4
64.42117	0.3
64.90292	0.5
67.05521	0.3
68.99786	1.5
69.03430	8.2
69.67307	1.5
71.04972	1.3
73.02927	2.2
79.05499	0.3
81.02958	0.7
81.03415	8.9
82.07390	0.4
83.04952	0.4
83.15916	0.4
85.02905	12.5
87.00832	6.1
95.08591	0.5
97.02886	5.0
99.04456	3.2
103.60715	0.3
105.01860	2.5
105.07044	0.7
109.02877	7.1
111.00768	0.6
117.01843	1.5
121.02853	0.8
121.10259	0.4
127.03915	11.3
129.01837	0.5
137.02350	2.8
145.04959	3.1
145.78635	0.4
147.02882	0.6
149.02425	0.4
153.01836	4.0
159.02885	3.8
163.03909	0.7
165.01886	1.9
173.09424	0.4
183.02907	0.9
195.63947	0.4
201.05504	1.5
213.05547	0.4
219.06506	0.4
229.04930	4.3
231.05011	1.7
239.03569	0.5
247.05939	0.8
257.04453	2.5
274.04663	0.7
285.03909	1.3
303.04980	100.0
304.05307	2.3
431.64902	0.4
546.73779	0.5
550.26154	0.7
551.27710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03955	1.4
54.76961	0.2
55.01871	0.6
55.05518	0.3
57.03428	0.9
58.12043	0.2
61.02945	1.5
66.62612	0.2
67.05499	0.7
69.03437	6.3
70.67964	0.5
71.04993	0.6
73.02906	1.6
77.03931	0.9
77.75347	0.3
79.05490	1.2
81.03424	4.4
81.07056	1.2
85.02907	12.2
85.06563	0.5
86.94865	0.3
87.04462	2.3
91.03966	0.4
91.05482	5.6
93.07044	7.8
95.04970	2.8
95.08607	0.8
97.02895	4.8
97.06516	0.4
99.04017	0.2
99.04472	2.3
103.03932	0.4
103.05475	7.0
105.04520	1.1
105.07027	0.8
107.04962	9.5
107.05682	0.6
107.08608	0.5
109.02879	2.4
109.06511	0.7
109.10101	0.4
115.03931	5.2
119.04935	1.5
119.08564	0.5
120.08142	0.7
121.06509	100.0
122.06864	1.4
122.09686	0.5
123.04456	1.5
123.08031	0.4
125.06001	0.4
125.10946	0.3
127.03919	9.3
127.04868	0.5
133.04953	1.0
133.06462	0.5
133.10129	0.3
135.08015	0.4
137.05981	12.8
142.29822	0.3
145.04970	7.6
145.06326	0.3
148.11208	1.5
149.06024	1.3
149.13324	0.3
151.07549	5.8
152.05289	1.9
159.07997	0.3
163.03906	0.4
163.06097	0.4
163.07542	0.5
166.06866	1.3
173.05879	0.4
174.12810	0.3
179.08569	0.9
180.08342	0.5
181.06587	0.5
181.09035	1.6
182.07317	0.4
197.09663	1.2
199.07484	0.3
210.06932	0.4
211.11230	0.6
215.14041	0.3
224.08421	0.6
225.09135	3.8
226.09872	0.4
229.08667	0.4
239.10730	0.6
241.06964	0.3
242.09489	0.6
243.08238	0.2
243.10179	12.4
257.11740	12.7
259.08102	2.8
266.17526	1.9
267.10110	0.6
275.12775	9.5
276.10461	1.4
277.09213	1.0
281.11502	0.3
308.13153	7.9
323.12921	0.4
507.25238	4.1
551.24255	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	551.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	0.8
70.34538	1.1
74.02415	0.5
79.84521	0.6
91.05481	0.8
115.05469	0.9
115.43453	0.5
117.05765	1.0
117.07018	0.8
118.06537	18.9
130.06552	1.5
132.08069	4.2
142.06523	2.0
143.07303	2.6
144.08089	11.5
146.06004	59.9
147.06339	0.9
153.90956	0.5
159.09200	5.5
160.07567	0.9
170.06001	4.5
188.07065	100.0
189.07391	1.6
205.09724	47.1
206.10027	0.8
261.05527	0.8
270.44482	0.5
499.41965	0.5
551.22455	1.0
551.30841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
57.03419	0.8
67.05497	1.5
69.03426	3.1
69.07052	0.8
71.05005	0.9
71.44917	0.9
79.05491	1.1
81.03422	2.1
81.07047	1.1
85.02903	4.1
89.03925	0.8
93.07058	1.6
95.07348	1.2
95.08617	1.0
96.08111	1.3
97.02901	1.8
97.06538	0.9
99.04469	0.7
105.07051	1.0
107.04974	1.4
107.08591	1.0
108.08115	2.4
109.02879	1.1
109.06532	0.8
110.09682	2.7
116.04982	4.1
118.99078	0.7
119.08518	1.0
120.04514	0.8
120.08101	3.8
122.06030	3.9
127.03852	1.4
131.08537	0.9
133.10146	0.9
136.07596	7.0
137.09570	0.8
138.09174	3.8
144.04451	11.0
145.04956	1.0
146.06042	2.2
148.03938	4.3
148.07614	1.7
148.11115	0.8
162.05481	4.1
166.05064	0.9
166.08633	9.7
169.10652	0.6
172.03946	61.9
173.13203	1.4
174.05547	1.4
176.06992	1.2
178.43408	0.7
178.58986	0.7
190.04997	15.8
192.99057	0.7
194.11739	1.0
199.58763	0.9
204.06567	100.0
205.06850	2.2
213.55273	0.8
255.11366	1.1
275.09354	0.9
278.17511	1.3
279.17868	1.2
283.10867	3.7
301.11749	1.2
303.04910	0.9
305.27524	0.7
315.13675	0.7
317.21216	0.7
325.11703	2.3
329.15088	1.4
334.09128	2.7
339.13333	2.1
343.12784	2.1
357.14456	29.7
389.17020	2.3
468.61929	0.9
469.16113	1.1
487.17273	5.4
551.26685	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	551.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65634	0.8
61.01132	1.7
61.99192	0.7
67.05482	0.9
68.04996	2.1
70.06566	0.9
75.33440	0.6
79.05473	1.2
82.06529	0.8
84.08109	1.1
84.49259	0.7
86.09660	0.8
88.97475	0.7
91.05418	0.9
93.07041	1.3
94.06504	1.4
95.04909	0.9
95.08563	1.8
96.08109	1.8
99.04461	7.3
104.05293	1.2
105.07001	1.8
106.02242	0.8
106.06528	1.6
108.08082	2.2
109.08865	2.1
110.09677	1.1
117.85927	0.7
119.04840	0.8
120.08105	4.7
121.08881	1.8
122.09677	4.4
125.05956	3.0
126.03686	1.0
127.03907	22.1
128.04326	0.7
128.05243	1.3
132.08047	1.0
133.06517	0.7
134.09648	5.9
135.10413	2.4
136.11185	1.7
137.05986	1.2
138.03682	2.0
139.04509	1.8
140.05266	3.6
141.06044	1.3
145.03145	0.8
146.06041	0.9
146.09642	1.9
147.10376	3.2
148.11205	17.0
149.06062	0.7
150.09108	0.7
151.04434	0.9
152.05275	22.6
153.06010	3.1
161.05914	0.9
162.09961	1.0
164.10701	1.0
166.06863	15.2
172.11186	1.4
174.12762	2.2
176.10590	0.8
179.07639	0.9
180.08405	5.5
181.09203	21.2
204.13831	1.6
214.14362	2.1
230.09969	1.8
232.13370	0.8
234.14896	1.8
240.15947	2.7
248.12831	3.3
249.14233	4.3
264.14166	2.4
266.17499	23.0
267.17914	1.1
268.10010	4.1
274.14496	1.5
276.10522	16.3
277.10858	1.1
290.12064	1.0
308.13132	100.0
309.13394	3.3
312.11819	0.8
331.13809	0.7
352.12064	2.1
356.76608	0.9
379.20526	8.2
461.26358	3.3
507.25244	47.5
508.25327	1.8
551.24207	39.7
552.14819	0.8
552.24786	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	551.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39960	0.8
56.75128	0.8
56.87692	0.7
69.43880	2.3
69.44282	1.5
75.05915	0.7
81.07043	0.8
85.71957	0.8
96.42788	0.7
124.63884	0.8
145.73616	0.7
184.07379	1.2
218.37596	0.7
219.46893	0.7
285.09921	0.8
509.52298	0.9
512.90271	0.9
533.27191	3.1
551.26459	100.0
552.26459	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	551.283
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
203.05307	1.2
259.07996	0.9
389.22968	1.1
441.68350	0.6
551.28247	100.0
552.28564	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	551.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12541	0.3
55.05513	0.5
63.02370	0.6
67.05457	0.4
79.05485	0.4
81.07059	0.5
89.03918	6.9
91.05510	0.6
93.07093	0.4
95.08633	0.4
104.10729	0.6
106.04177	0.6
109.33638	0.4
117.03378	20.1
134.03658	1.6
135.04420	1.2
145.02847	49.3
149.05971	6.6
155.48711	0.3
163.03899	0.6
177.05475	100.0
178.05852	1.2
179.87785	0.4
186.05521	3.1
205.15843	0.4
211.67630	0.4
251.09157	0.8
533.34656	3.6
551.35138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	0.6
63.02388	0.6
67.05493	0.7
69.07053	1.0
69.32649	2.8
81.07040	1.0
86.09719	1.5
87.47932	0.5
89.03928	4.8
94.21333	0.6
95.08585	0.8
96.77292	0.5
97.05130	0.5
104.10729	2.1
117.03383	16.7
118.62024	0.5
124.99960	1.2
134.03589	1.1
134.88486	0.7
135.04494	0.6
145.02847	44.1
148.40002	0.6
149.06004	5.0
161.10335	0.6
162.03183	0.5
177.05472	100.0
178.05888	0.7
184.07335	1.9
186.05510	2.9
251.09117	1.2
262.25537	0.6
333.92111	0.6
357.29871	0.8
457.94775	0.6
533.34760	9.9
551.38385	1.1
568.34698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	0.4
63.17828	0.4
65.18836	0.4
69.03442	2.7
69.37035	2.4
70.06558	0.6
70.46488	0.4
71.04977	0.5
74.00641	0.6
81.03391	1.0
82.91559	0.4
83.08602	0.4
85.02905	4.9
97.02856	1.7
100.11244	0.8
109.02850	0.9
111.04442	0.7
114.48402	0.4
120.01133	1.4
125.09542	0.5
139.11172	0.7
145.04958	0.7
156.10133	1.5
159.45401	0.5
161.04619	0.4
161.05937	0.5
167.06963	0.4
170.54622	0.5
175.11134	0.5
182.15489	0.9
209.09650	2.2
210.14906	0.6
211.07480	0.6
224.08249	1.0
225.09102	10.1
226.09853	2.4
227.10632	1.5
235.07513	1.5
236.08173	0.8
237.09079	1.7
238.09853	1.0
239.10626	1.8
240.11513	0.7
240.76846	0.5
241.12279	4.0
252.07811	0.8
253.08621	12.9
254.09232	2.1
255.10199	12.3
267.10172	6.1
268.10950	60.5
269.06735	0.8
269.11713	29.0
270.12509	41.9
271.13013	0.8
273.09396	0.6
281.11801	4.8
286.06595	1.6
299.07425	0.6
301.08932	100.0
302.09250	2.7
313.08954	4.5
327.10495	0.6
370.30569	0.5
373.11023	3.2
378.17697	1.3
390.13721	38.7
391.14218	1.5
552.18915	1.0
552.27075	3.5
552.43860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22457	2.5
69.03433	8.6
69.14390	18.9
70.06553	5.1
81.03432	6.7
85.02908	24.3
86.09738	4.3
87.00818	3.4
89.50844	2.8
97.02904	7.9
104.10676	3.0
105.01854	5.8
109.02895	4.9
121.06504	3.5
127.03912	9.2
135.08064	6.5
145.04955	5.4
151.03932	7.4
151.07542	4.9
159.03009	4.2
171.08038	3.2
184.07350	11.5
209.09659	3.6
212.08319	5.8
224.08185	4.5
227.10693	16.1
233.15315	2.6
237.09088	4.5
240.07701	5.1
255.10178	54.9
256.10944	3.0
259.13150	3.5
269.11737	7.4
272.10416	4.0
287.12775	100.0
311.12851	15.0
353.13910	13.0
379.39859	3.0
395.14746	7.4
408.12186	2.8
552.30469	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	552.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01876	8.7
57.03432	4.6
61.02920	4.1
65.03940	1.7
67.05506	3.3
68.99796	4.0
69.03432	24.8
71.04988	2.8
73.02907	2.2
79.05489	2.6
81.03426	23.1
81.07052	4.9
82.34705	1.4
82.97517	1.7
83.04990	2.1
85.02908	47.5
86.09723	4.2
87.00832	22.3
91.03967	1.9
91.05489	13.1
93.07025	2.0
95.04970	4.0
95.08620	2.2
95.26212	1.6
95.94577	1.7
97.02895	20.9
99.04470	10.2
103.05479	12.7
104.05772	1.7
105.01871	10.5
105.07030	3.8
107.04984	2.7
107.08606	2.2
109.02880	16.2
109.06515	3.8
109.10178	2.3
111.04436	2.6
115.05444	2.1
117.01865	3.7
118.73302	1.5
119.05000	1.7
121.06501	14.8
121.10170	2.3
122.03698	2.2
124.99994	3.1
127.03907	26.9
129.01848	3.6
131.04939	16.0
132.05266	2.8
135.08023	1.7
135.11623	1.6
137.05988	51.6
139.07513	2.3
141.34956	1.6
145.04967	10.5
145.06425	7.7
147.02831	3.0
149.06026	8.9
151.03917	6.8
151.07539	17.9
153.05431	1.6
159.02911	11.4
161.05965	6.4
163.07533	9.5
164.07974	2.5
165.05565	1.8
175.07552	12.7
177.09148	6.8
184.07338	15.4
188.08287	2.9
189.03935	1.9
189.09056	8.1
192.05615	1.7
193.08617	2.0
195.08080	4.3
196.08832	2.0
197.06151	2.4
201.09138	2.7
205.08630	7.0
207.08020	2.2
211.07553	4.0
212.08322	6.3
213.09085	2.3
217.08435	1.8
224.08298	2.5
225.09070	2.2
226.09776	2.1
227.10692	15.7
229.08542	2.2
231.05013	4.0
233.06001	2.0
233.18776	1.6
235.07544	2.4
237.09061	2.2
239.10614	2.7
241.08543	1.8
243.10178	3.0
247.07523	2.5
248.08246	3.9
251.10666	4.3
252.11526	2.0
253.08615	4.0
254.09215	2.9
255.10258	5.6
256.11072	2.5
257.08014	1.8
262.07025	1.9
263.10776	2.7
264.07932	2.8
265.08643	3.9
267.10239	1.9
268.10901	3.0
271.09665	3.7
277.08463	1.7
278.09302	2.8
279.10178	12.5
280.10876	4.8
281.08005	3.0
282.08850	5.0
283.13278	7.7
285.11261	3.4
287.12769	63.8
291.10199	7.2
292.10739	2.5
296.10489	11.7
297.11182	25.2
299.12729	29.4
307.09680	2.3
308.10489	2.8
309.11179	24.0
311.12766	100.0
313.14346	11.0
321.11188	4.0
323.12747	14.2
325.14456	3.5
329.13931	14.3
335.12640	7.5
341.13837	5.6
344.51245	1.8
345.11240	2.8
349.14389	6.2
353.13785	11.0
359.12872	2.4
367.15652	3.4
377.13855	17.8
395.14902	16.0
413.16125	2.6
416.42990	1.8
481.14847	4.0
499.16019	9.1
553.29865	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	552.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
63.14294	0.8
69.03426	3.2
74.74181	0.8
78.15239	0.8
79.05495	0.7
81.03413	2.3
85.02916	8.2
86.09728	0.9
87.00837	1.2
91.05491	2.3
94.04191	2.3
97.02885	2.4
98.23466	3.2
103.05502	0.9
105.01868	0.9
105.07063	0.8
109.02892	2.3
115.05466	1.7
119.04948	0.9
120.08089	1.0
122.03669	3.5
122.57002	0.8
127.03912	3.3
127.32965	0.8
132.04651	0.8
137.05983	100.0
138.06325	1.2
142.15924	0.9
143.04973	1.4
145.04980	1.1
145.06511	1.3
147.04404	1.1
150.06770	0.8
151.03952	1.6
153.10068	0.9
160.05246	1.0
161.05963	2.8
167.10040	0.8
173.06010	3.4
175.03979	1.0
175.07565	3.1
177.05428	1.3
189.05402	1.0
201.05392	5.9
203.07037	1.8
205.06511	4.5
207.06534	5.5
207.08212	1.1
219.06583	3.3
221.06099	1.4
222.06816	3.1
231.06525	2.8
233.05948	5.6
234.06717	2.5
237.09032	5.1
249.09196	1.7
250.06303	4.6
251.06958	1.6
261.05609	1.3
262.06317	1.8
264.07910	2.4
265.08585	10.9
267.06512	1.3
275.07053	1.2
277.05173	0.9
277.08594	2.1
278.05624	1.5
279.06488	1.1
279.10147	1.9
281.42511	0.9
282.08774	1.3
283.09708	3.7
290.05823	0.9
292.07404	4.3
293.08130	11.5
294.08749	1.1
295.06186	0.9
297.11255	4.6
303.05011	11.4
304.05331	13.6
305.08145	1.6
305.36917	0.9
307.09641	12.8
309.11240	2.4
310.08380	1.0
322.08508	1.4
323.09213	1.1
325.10672	34.3
337.10663	8.1
343.11783	33.6
355.11765	16.9
373.12811	1.7
390.22964	1.1
507.68176	0.9
552.24457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03424	0.7
61.02923	1.0
69.03420	2.1
69.77588	1.0
69.77933	1.9
70.06583	2.3
79.05493	1.0
79.73920	0.7
81.03426	1.7
84.08157	0.8
85.02908	9.8
85.40499	0.7
86.09678	1.1
91.05492	5.0
93.03413	0.8
93.07035	1.7
94.04189	2.0
95.04958	1.6
97.02890	3.1
97.06535	0.8
98.22730	1.1
103.05463	2.1
105.03390	0.8
105.07040	2.2
106.04166	3.5
109.02874	1.2
109.06503	1.2
114.09180	0.8
115.05460	2.3
117.07008	1.4
118.06878	0.8
119.04924	2.2
121.06501	5.1
122.03631	5.5
123.04445	0.8
125.05995	1.6
127.03864	1.4
131.04921	2.1
133.06531	1.2
135.04408	1.1
135.08011	1.0
137.05975	100.0
143.04947	2.3
145.04951	2.2
145.06482	2.0
146.06065	1.1
147.04472	1.5
149.05995	7.7
150.06779	2.0
151.03903	2.1
151.07567	1.0
153.05487	1.2
153.09105	1.3
154.25381	0.8
158.03600	0.8
159.04424	1.4
160.05188	1.8
161.05960	3.8
162.05418	0.8
163.07596	1.7
173.05934	3.9
175.03906	1.5
175.07530	3.6
177.05484	4.3
177.06975	2.1
179.07085	1.0
179.08583	0.8
181.08676	3.4
186.03131	3.1
187.03899	1.6
188.04669	0.8
189.05441	1.5
189.06996	1.4
191.07053	1.7
193.03113	0.7
193.04811	0.7
193.06554	0.7
194.07230	1.6
195.17973	0.7
201.05449	12.6
203.07059	2.5
205.06508	8.0
206.07256	1.0
207.06471	9.0
207.08191	1.3
209.08052	13.7
219.06538	3.6
219.08366	1.0
221.06012	1.5
221.09692	0.8
222.06746	4.6
227.06876	1.1
231.06541	3.9
233.05966	9.8
234.06734	4.0
237.09090	9.2
239.07091	1.5
240.07991	0.8
247.07529	1.9
248.08301	0.9
249.09244	1.1
250.06215	7.3
251.07001	2.2
251.09256	1.4
253.08539	1.0
261.05362	1.5
262.06216	1.0
264.07858	3.1
265.08609	18.7
266.09369	2.1
267.06534	1.7
277.05365	1.0
277.08615	3.4
278.05832	4.3
279.06595	1.0
279.10126	2.1
281.08197	0.8
282.08893	2.9
283.09723	3.1
292.07294	8.6
293.08069	17.2
294.08771	1.2
295.05963	1.6
295.09528	0.8
297.11191	6.0
305.08060	2.1
307.09637	19.3
309.11145	1.6
310.08368	2.4
311.09164	1.7
323.09152	2.3
325.10693	52.3
326.11108	1.5
337.10733	8.4
339.12234	1.9
343.11771	37.8
355.11731	14.7
371.14819	1.2
373.12900	1.9
452.01846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	0.9
69.03417	4.2
70.06590	2.7
71.44747	1.0
81.03407	3.4
82.03756	0.9
84.08173	0.9
85.02922	9.7
86.09697	1.8
87.00816	1.7
87.21864	0.9
91.05476	1.7
94.04163	1.4
97.02879	2.2
99.04424	1.3
104.51725	1.0
108.16683	1.1
109.02883	2.6
115.05475	1.6
119.04930	1.3
120.08131	1.2
122.03648	3.7
125.05929	1.7
127.03931	3.4
128.04192	1.1
133.06506	1.6
137.05977	100.0
137.77171	1.1
143.04929	1.3
145.04912	3.2
147.04388	1.6
149.05890	1.1
151.03883	2.5
159.02855	1.2
159.04391	1.8
159.09146	1.2
160.05157	1.0
161.06004	2.8
173.05966	2.1
175.07570	3.6
177.05518	1.2
186.03099	2.4
201.05446	7.1
203.07013	1.8
205.06552	5.4
207.06491	7.2
219.06525	3.1
221.05951	1.0
222.06728	2.7
229.04967	1.4
231.06535	3.0
233.05988	5.9
234.06839	1.4
237.09123	5.7
239.07047	1.0
247.07535	1.1
249.05469	1.3
250.06296	3.8
251.07059	2.2
258.04559	1.3
261.05563	1.8
262.06201	1.3
264.07941	2.0
265.08612	11.5
266.09283	1.8
267.06604	1.8
268.07281	1.0
270.04358	1.0
277.05679	1.3
277.08585	4.2
278.05820	2.1
279.06558	1.3
279.21613	1.0
282.08975	1.2
283.09726	5.0
290.06064	1.1
292.07385	4.4
293.08041	11.8
297.11227	4.3
303.05014	13.4
304.05347	21.6
305.08215	1.9
307.09601	11.7
309.11185	1.9
310.08469	1.4
317.48062	1.2
323.09073	1.5
325.10684	33.6
337.10666	7.5
343.11792	32.3
355.11792	15.8
482.46204	1.2
552.25262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05016	0.7
69.07057	0.8
70.02955	16.2
79.05476	0.7
81.07056	0.9
82.02959	0.9
84.08149	0.6
86.09707	80.6
87.05590	8.7
87.10008	0.7
91.05471	2.1
93.07043	2.1
95.04977	0.8
96.04482	1.8
96.08131	3.2
98.02427	1.3
100.43448	0.6
103.05473	7.0
105.07032	2.1
109.06532	0.8
110.09722	0.6
112.05108	0.8
113.03490	8.6
118.06551	0.7
120.08105	100.0
121.08433	1.5
125.03478	3.8
125.05865	1.6
128.09981	0.6
130.06540	2.5
131.04964	2.0
132.04449	10.2
132.08098	1.2
133.05193	1.2
133.10233	0.6
134.06007	3.8
138.09142	8.3
139.05020	0.9
139.08571	0.5
141.10222	3.4
142.88565	0.7
153.05257	0.6
155.11787	12.1
158.06021	15.9
160.07605	2.0
162.27072	0.5
165.10226	0.8
176.07062	2.9
178.04976	13.6
179.05780	2.1
180.11313	0.7
181.09734	4.2
186.05533	4.6
188.14340	0.9
198.12398	1.7
201.06599	3.3
203.08160	1.0
204.06575	6.4
209.15532	0.6
211.10767	0.9
226.11853	3.4
229.06149	1.2
230.04550	2.6
233.16464	3.8
243.14975	0.9
247.07167	4.2
261.15991	1.7
264.09763	1.2
271.14508	1.3
275.06693	1.3
289.15475	15.6
310.15637	0.9
318.13251	1.1
327.13257	1.1
332.16351	0.6
356.15863	2.9
360.15482	1.2
361.18826	0.6
377.18192	78.3
378.18610	2.3
405.17679	26.4
406.17865	1.0
411.16611	2.7
492.29230	3.2
507.22018	1.1
508.25449	4.7
523.48438	0.7
524.25214	4.1
534.23547	1.2
535.21429	0.9
552.24396	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	552.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83817	0.5
55.01869	1.9
62.47525	0.5
69.03420	2.2
69.48799	1.4
69.49221	2.1
70.06585	0.6
71.05004	0.6
79.05479	3.6
81.07040	0.6
85.02903	1.7
91.05489	1.9
94.06590	0.6
95.04958	1.1
97.02887	1.2
98.23544	0.6
99.04483	0.9
103.05457	3.4
105.07027	37.8
106.07382	0.8
110.09721	0.7
115.05459	7.6
117.07002	0.5
118.04163	2.0
120.08100	0.8
125.05950	0.7
131.04951	1.0
131.07220	0.5
131.08540	0.8
132.08096	0.7
133.06491	41.4
134.06898	0.7
134.09668	3.3
135.18913	0.6
136.11198	4.0
143.04955	0.9
143.06009	4.2
148.11212	3.8
149.11990	1.1
151.03807	0.6
158.09645	0.7
160.11203	2.0
161.05977	55.5
162.06281	1.2
162.09108	0.6
162.12802	1.0
174.12807	2.6
176.10628	1.0
186.12825	0.9
188.10681	3.1
188.14433	0.7
193.08600	7.4
198.12740	1.9
200.10699	0.9
200.14302	0.7
201.11511	0.8
202.12245	0.7
216.13869	0.9
218.11769	2.4
222.14967	0.8
225.09183	0.9
225.11302	0.8
226.12143	0.8
230.11819	0.6
232.13367	1.4
234.11244	2.4
241.12238	0.7
241.14691	0.6
248.16324	0.9
255.10129	1.1
255.86900	0.6
260.16437	1.6
268.10922	3.7
268.13431	1.1
269.11722	2.1
270.12408	2.1
272.16507	0.7
275.15100	1.2
278.17630	4.3
286.14493	1.5
286.17990	0.6
296.16443	2.4
301.08899	5.9
314.17520	4.7
316.18866	0.9
342.17014	6.9
344.22278	2.1
360.18036	92.1
361.18512	2.9
362.23322	0.8
372.21698	5.2
390.13565	1.7
390.22708	4.8
440.22729	1.5
471.53073	0.6
542.91907	0.7
552.26251	100.0
553.26508	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	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
54.24266	4.2
55.01890	5.1
55.05511	24.3
57.03440	5.5
57.07102	4.7
67.05510	24.2
69.03436	30.3
69.07065	23.3
70.06586	6.8
71.04993	18.0
79.05487	34.2
81.03425	16.8
81.07057	39.9
83.04987	68.7
83.08614	15.0
85.02914	16.5
85.06533	8.7
86.09708	16.3
91.05477	33.7
93.07039	42.4
95.04971	33.2
95.08613	18.3
97.02904	20.9
97.06531	66.4
99.04430	23.3
100.11256	58.0
105.07033	68.4
107.04974	13.6
107.08598	38.5
109.02888	11.7
109.06531	31.5
109.10182	11.5
111.04466	10.2
111.08101	10.7
117.07052	23.1
119.04977	6.6
119.08596	42.9
120.08123	17.7
121.06522	36.1
121.10123	26.4
123.04465	8.1
123.08091	10.3
123.11707	7.6
125.05994	95.4
125.09585	5.3
126.09321	5.6
127.03928	22.9
127.07575	10.1
128.07144	6.2
129.06998	7.4
131.08589	28.0
133.06496	17.0
133.10164	18.0
135.08115	12.7
135.11681	16.4
137.05995	25.8
137.09602	7.5
139.07573	6.3
143.07047	74.9
143.08620	9.4
145.04974	7.4
145.06480	10.3
145.10123	100.0
147.08037	7.0
147.11682	7.4
151.07578	18.3
155.08562	7.8
158.06093	5.4
158.07359	9.8
159.11710	37.4
161.06042	4.8
161.09622	11.6
163.07434	5.8
163.11208	33.0
169.10153	13.0
171.11636	9.8
173.09621	73.4
175.14821	11.8
177.12770	16.7
179.10637	5.5
182.15442	28.0
187.11172	81.0
191.10638	36.0
197.09651	11.1
197.11691	5.7
197.13329	4.9
205.12231	63.8
209.11734	17.8
209.16519	16.0
210.14926	19.3
215.10675	86.9
215.12589	8.1
217.12268	5.3
223.13327	9.9
233.11729	95.0
235.09608	5.2
235.13127	6.0
241.14311	9.9
251.12810	61.1
253.14429	6.0
267.12405	6.9
269.13931	28.3
286.10309	4.9
301.21640	10.5
303.05081	5.3
304.05472	5.0
316.46918	5.8
319.22742	6.3
337.23746	11.5
359.14908	13.0
359.23270	34.9
360.17950	6.8
377.16183	24.4
395.16980	26.0
413.18182	49.7
552.25677	15.7
552.44849	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69820	0.4
53.03934	0.9
53.99823	0.5
55.01869	0.8
56.96559	0.6
57.03436	1.3
59.31005	0.5
61.02918	2.0
67.05491	1.2
68.05016	0.5
69.03074	0.4
69.03438	7.2
70.06593	0.8
70.42554	0.7
71.04993	2.3
73.02894	1.0
79.05470	0.9
80.05021	8.7
81.03402	2.6
81.07059	0.6
82.06558	0.5
83.01348	0.5
85.02913	11.3
87.04457	1.1
87.45226	0.4
91.03944	0.6
91.05484	0.6
93.07046	0.6
94.06572	1.3
95.04982	7.3
95.08602	0.4
96.08109	0.6
97.02905	4.7
99.04470	1.1
105.07063	0.8
106.06554	1.3
107.08576	0.8
108.08121	0.6
109.02890	1.5
113.05945	0.4
120.08124	1.5
122.06108	0.6
122.09740	0.5
123.04470	0.6
123.08043	0.5
125.09534	0.6
127.03934	2.7
136.07610	0.9
136.11240	0.9
138.09148	4.1
145.04971	1.4
148.07590	2.5
148.11195	4.4
150.09116	0.6
151.07509	1.0
153.09041	0.6
154.12216	0.9
158.09624	0.5
160.07642	0.9
162.09164	0.8
163.03954	0.5
164.10770	0.5
166.08574	0.6
166.12289	16.7
167.07030	0.6
172.07591	1.3
174.09166	0.7
176.10707	1.4
184.09727	1.5
186.09103	0.6
188.10686	0.7
193.04965	0.6
194.11752	0.7
204.10205	0.5
204.13907	0.8
205.08609	0.5
206.15465	1.9
214.12215	2.1
218.11852	0.5
220.13348	3.2
224.16452	10.0
232.13255	4.3
234.14880	1.4
236.06013	0.5
236.12825	4.5
238.14305	0.7
250.14386	4.1
252.16005	2.0
262.18289	0.6
264.19629	2.1
266.17557	0.5
268.15384	1.3
270.17023	4.0
272.16391	0.6
282.20670	0.9
286.16544	1.2
290.17532	6.2
308.18549	8.0
308.22214	0.5
310.20178	1.5
318.16980	0.7
326.19647	16.4
327.19888	0.6
336.18057	4.7
344.20712	1.2
354.19153	2.8
372.20193	100.0
373.20639	3.1
390.21530	3.9
534.16461	3.3
534.25446	3.8
552.17157	3.6
552.24524	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	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86948	0.3
53.03933	0.7
55.40870	0.4
65.03973	0.4
67.05495	1.8
68.71886	0.3
68.81554	0.4
68.99802	0.3
69.03430	2.6
69.07069	0.9
69.54394	0.3
71.56685	0.4
79.05497	6.7
81.03420	1.2
81.07059	100.0
82.07387	1.0
85.02905	5.4
87.00832	19.8
87.04465	1.2
93.07041	0.6
95.04939	0.4
95.08608	7.9
97.02896	66.9
98.03172	0.7
100.43293	0.4
105.01877	9.6
105.07017	0.4
109.02885	0.5
113.22339	0.4
115.03926	1.7
127.03907	0.7
133.04939	0.5
133.06561	0.4
137.13258	30.6
138.13585	0.4
141.58449	0.4
143.03354	0.5
145.04935	0.6
163.03973	0.5
183.02948	0.5
183.81735	0.3
195.81723	0.4
201.03946	32.0
202.04301	0.5
219.05003	14.9
219.07143	0.8
225.03784	0.5
236.07637	1.3
243.92352	0.4
244.21431	0.4
317.19629	0.7
319.10049	0.7
327.07016	0.7
345.08176	16.7
352.86914	0.5
360.18069	0.4
363.09229	8.9
390.22491	0.9
552.26007	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	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.7
55.01852	6.1
55.05515	10.7
57.43069	4.9
60.14179	4.3
67.05490	13.6
69.03431	38.1
69.07079	37.5
69.21486	27.6
70.06600	4.6
71.04992	7.9
79.05501	33.6
81.03405	28.2
81.07056	27.9
83.04988	68.3
85.02896	31.6
85.06454	5.1
86.09681	5.0
87.00858	7.6
91.05495	30.8
93.07037	38.5
95.04954	30.4
95.08606	17.2
97.02899	9.1
97.06522	68.4
99.04461	20.3
103.05467	5.5
105.04481	5.4
105.07017	66.8
107.04953	16.4
107.08591	36.2
109.02854	12.3
109.06496	24.2
109.10164	4.9
111.04434	13.6
111.08112	6.5
117.07018	18.2
119.04932	11.0
119.08576	65.9
120.08131	8.9
121.06519	47.1
121.10130	10.8
123.11720	8.0
125.05983	97.0
127.03918	16.4
129.06978	6.9
130.07777	6.6
131.08545	27.1
133.06441	8.4
133.10135	19.9
134.73024	4.1
135.04454	6.2
135.08028	11.8
135.11699	7.6
137.05963	33.0
141.07037	5.1
143.07034	68.4
143.08577	10.9
145.04965	4.8
145.06514	16.7
145.10129	100.0
147.08015	5.5
147.11679	10.8
151.07565	9.5
153.09138	5.5
155.08539	5.9
157.08614	5.9
157.10123	6.9
158.07259	13.9
159.08035	11.1
159.11685	52.4
161.09689	6.1
163.07487	5.5
163.11172	43.1
169.10124	10.5
173.09622	83.2
175.14822	53.0
177.12776	10.3
181.12251	5.1
187.11194	71.9
188.03462	6.9
189.12730	5.8
191.10664	33.3
197.09642	11.5
205.12215	60.0
209.11751	9.8
215.10654	79.7
215.12547	6.8
233.11714	84.2
251.12831	77.5
269.13950	8.5
303.04877	31.6
304.05258	53.7
308.13153	6.8
319.22549	6.5
341.10962	6.7
355.13431	9.2
373.13971	5.1
377.15662	9.8
388.35364	4.9
395.16776	8.3
413.18140	12.7
534.27032	5.1
552.27240	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	552.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49659	0.4
55.05483	0.6
56.04995	0.7
56.62249	0.4
61.02892	0.3
67.05476	0.9
69.03427	3.4
69.25987	2.2
70.06590	3.7
71.04945	0.5
72.08129	1.0
79.05440	1.4
80.04976	0.5
81.03384	0.9
81.06992	1.3
81.52139	0.3
82.06546	0.5
83.04974	0.5
84.08128	2.4
85.02906	1.9
91.05428	1.6
93.06985	1.5
94.06520	0.8
95.04926	0.5
95.08594	0.5
96.08121	0.9
96.77064	0.4
97.02854	0.8
97.08869	0.7
98.06004	0.6
98.09635	0.8
99.04404	1.1
100.07587	0.6
105.03366	2.4
105.07035	2.7
107.04923	0.7
107.08544	1.2
108.08052	0.7
109.10136	0.5
110.05959	0.4
110.09662	2.3
112.07541	1.0
117.07017	0.7
119.04897	0.7
119.08499	1.7
120.08071	0.9
121.06506	0.4
122.09627	1.1
124.07587	0.6
125.05947	0.6
126.09061	1.0
128.07063	0.7
129.06937	0.6
129.10143	0.6
131.08511	1.7
133.06468	0.5
133.10072	1.0
134.09608	0.9
135.08006	0.6
135.11594	0.4
136.07532	0.7
136.11209	2.5
141.81422	0.5
142.08650	0.8
143.08470	1.5
145.10037	1.6
146.09624	0.5
147.07930	1.0
147.11626	0.6
148.11176	0.6
150.09036	0.8
152.10664	0.8
154.08571	1.1
155.08553	0.5
156.10204	4.4
157.10069	1.7
159.08032	0.7
159.11612	0.8
160.11139	0.6
161.05737	0.6
161.09578	1.5
161.13226	0.5
162.12679	0.7
163.11035	1.4
164.10664	0.7
168.10135	0.7
169.10016	0.8
171.11642	1.1
172.11198	0.7
173.09563	1.7
173.13242	1.1
174.12764	2.9
175.11174	3.1
175.14696	0.5
176.10628	0.6
177.12675	1.3
179.06958	1.1
180.10176	0.7
182.11652	1.3
183.11708	0.6
183.64943	0.4
185.09598	0.6
185.13222	1.1
186.12755	0.8
187.11113	1.0
189.12784	1.9
190.12187	0.9
191.14207	0.5
197.08038	1.1
198.12762	0.4
199.11151	0.6
199.14894	0.5
200.14388	2.6
201.12744	3.4
203.14316	3.1
204.13858	0.5
205.12224	0.5
209.13148	0.7
211.11183	0.6
211.14696	0.5
212.14365	0.6
213.12689	0.5
215.14288	1.0
216.13788	0.9
217.15965	0.9
218.15318	1.6
223.73262	0.4
224.14302	0.6
226.15881	0.5
227.14212	0.7
229.12148	1.2
229.15823	0.9
230.14975	0.5
231.14052	0.5
232.13332	1.4
234.14825	1.7
239.14200	0.5
242.15430	0.6
246.14763	1.0
253.16167	0.5
257.15286	0.7
260.16406	0.7
270.18582	0.7
272.16449	2.2
274.17874	0.9
283.16946	0.4
288.15903	0.6
297.17661	0.4
298.17990	1.9
298.21439	0.6
302.17355	0.6
308.20111	0.5
309.18484	0.5
316.19162	2.7
316.22391	0.7
326.21155	5.0
328.22745	0.8
344.22186	20.2
345.22610	0.9
346.20093	4.0
346.23865	1.1
354.20709	1.2
372.21680	17.9
373.22293	0.6
374.23254	0.6
390.22729	100.0
391.23138	3.4
423.60571	0.4
437.71808	0.4
438.25424	0.4
508.25806	1.0
534.27734	1.6
552.28058	65.9
553.15283	0.4
553.28607	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	552.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
54.85253	0.3
55.01848	0.7
55.59362	0.3
56.05020	0.3
57.03408	1.0
61.02928	1.7
67.05480	0.5
69.03429	7.0
69.16681	1.8
70.06556	1.1
71.01291	0.3
71.04970	0.7
73.02892	1.3
79.05484	0.6
80.04971	0.5
81.03404	1.9
81.07025	1.2
83.01298	0.4
83.97306	0.3
84.08131	0.7
85.02898	6.7
87.04469	1.4
91.05470	1.3
93.07038	0.6
94.06554	0.3
95.08582	0.5
96.08097	1.3
97.02891	3.4
97.08881	1.2
99.04424	1.0
100.07575	0.3
101.02361	0.7
105.06986	0.9
106.06547	0.4
107.08562	0.5
108.08153	0.4
109.02853	1.0
109.06465	0.5
110.09644	0.8
117.07015	0.4
119.08546	0.8
120.08076	0.6
121.06481	0.4
122.09648	0.9
123.04410	0.5
125.05968	0.4
127.03877	1.3
128.07120	0.4
131.08554	0.5
132.08058	0.4
133.10124	0.4
134.09625	1.7
135.08032	0.8
136.11214	12.9
137.05911	0.4
137.11935	0.8
138.12759	0.3
142.08575	0.3
143.08574	0.6
145.10153	0.3
146.09633	0.4
148.11198	1.4
150.09103	0.4
150.12805	1.8
151.13551	0.3
156.10225	0.5
157.10016	0.5
160.11174	1.0
162.09073	0.4
162.12770	5.8
163.13564	0.6
164.14360	0.5
168.10172	0.5
171.11642	0.4
172.11180	0.9
174.12846	0.6
176.14334	5.9
182.11826	0.4
184.07278	0.7
186.12741	0.6
187.13551	0.4
188.14326	0.7
193.10130	0.3
193.28596	0.3
194.11626	0.3
197.09637	0.3
197.13374	0.4
200.14351	0.7
204.13846	0.6
209.09488	0.3
214.12282	0.5
216.13811	0.6
218.11790	0.5
220.13219	0.4
226.16101	0.3
227.14380	0.4
232.13397	0.4
234.14876	2.0
235.15674	1.4
236.16469	1.3
248.16467	1.0
260.16406	1.9
262.18076	4.0
274.18036	0.7
278.17499	9.2
298.17865	0.7
316.19049	2.0
326.21155	0.6
342.20422	0.4
344.22314	1.8
354.20569	1.2
354.24911	0.4
362.23230	0.8
372.21683	30.3
373.21957	0.7
390.22748	44.5
391.23108	1.2
440.22888	3.2
478.24307	0.3
524.28638	0.7
552.28027	100.0
553.28473	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	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05505	2.3
57.03420	0.5
57.07063	0.4
59.05007	0.4
61.02911	0.9
67.05524	1.6
69.03442	1.9
69.07063	5.7
70.06588	2.5
71.04981	0.4
73.02901	0.7
73.15408	0.3
79.05497	1.0
81.03413	0.9
81.07061	2.6
83.04969	0.4
83.08599	0.9
85.02905	3.9
85.06530	0.4
87.04422	0.4
90.63691	0.3
91.03973	0.4
91.05467	2.2
93.07038	2.3
95.04966	0.7
95.08605	5.4
97.02889	1.9
97.06525	0.5
99.04441	0.9
105.07033	6.6
106.06625	0.4
106.07324	0.4
107.08585	2.5
109.02855	0.5
109.06508	1.4
109.10151	5.0
115.03909	0.8
117.06985	0.9
119.08578	25.9
121.10150	2.3
123.08007	0.7
123.11751	0.5
125.09576	0.4
127.03911	1.5
131.08540	0.6
133.05046	0.4
133.10126	22.8
134.10446	0.7
135.08009	0.5
135.11679	2.6
137.05923	0.4
137.09624	2.4
145.02861	0.6
145.04955	1.0
145.10098	1.7
147.11688	4.6
149.13225	0.5
151.14809	0.8
160.12503	0.8
163.03891	0.5
173.13245	1.1
175.14815	100.0
176.15120	2.5
177.05421	0.5
177.16418	0.6
191.14317	0.5
192.14723	0.6
193.08693	0.3
193.15878	17.8
209.15375	1.0
210.15695	1.1
223.13272	1.2
227.16443	0.9
228.16673	0.6
241.14282	0.4
252.50755	0.3
328.21191	1.4
335.80759	0.4
372.23666	1.2
390.23120	0.7
405.74258	0.4
420.20313	0.4
490.26270	0.6
534.29102	3.9
552.27484	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	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05512	6.1
57.03437	0.4
57.07077	0.6
61.02925	0.3
65.03945	0.7
67.05508	2.3
69.03430	1.9
69.07068	10.0
69.40766	0.8
70.06593	0.5
71.04990	6.9
73.02909	0.2
77.03942	0.6
78.04709	0.2
79.05493	2.8
81.03418	0.7
81.07056	7.3
82.07419	0.2
83.08619	3.9
85.02903	6.1
86.09701	0.7
91.03959	0.3
91.05479	11.5
92.05761	0.2
93.07047	4.2
95.04991	0.9
95.08607	9.9
97.02885	1.0
99.04458	0.6
103.05466	1.4
104.06248	0.6
105.07027	22.4
106.07379	0.4
107.08592	16.7
109.02876	0.8
109.06505	0.7
109.10159	2.4
115.03920	0.3
115.05445	0.5
117.07013	4.2
119.08578	100.0
120.08102	1.1
120.08926	1.5
121.10145	4.8
122.09686	0.2
123.08051	0.3
123.11714	0.7
127.03930	2.0
131.08572	1.4
132.09416	0.2
133.10124	22.2
134.10442	0.3
135.11696	1.2
137.06059	0.2
145.04967	2.9
145.10112	1.6
146.10902	0.6
147.11679	4.1
153.12706	0.7
156.76367	0.2
157.10135	0.2
159.11714	0.3
160.12442	0.7
161.13298	0.9
163.03897	0.2
163.05984	2.0
167.03575	0.2
167.06912	0.2
173.13272	0.6
175.14813	91.9
176.15164	2.0
177.16364	0.3
181.09415	0.2
187.14810	0.2
193.15898	0.5
215.09131	2.8
233.10178	4.8
240.07176	0.2
249.14870	0.4
265.08673	0.2
267.15936	0.2
308.13132	0.3
325.11032	0.8
343.11816	0.3
368.97778	0.2
377.18045	0.8
400.66461	0.2
405.17688	0.3
552.24567	1.1
553.21844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05514	8.1
57.07133	0.6
67.05526	2.8
69.03434	2.3
69.07075	10.4
69.82291	1.7
70.06596	0.6
70.36745	0.5
71.05006	7.4
78.90539	0.6
79.05492	2.2
81.03425	1.6
81.07056	8.5
83.08617	4.3
84.14085	0.5
85.02905	6.8
90.53991	0.5
91.05476	8.5
93.07045	4.3
95.04951	1.1
95.08608	9.3
97.02905	1.4
99.04489	0.8
103.05457	1.1
104.06253	0.6
105.07043	20.6
107.08598	15.7
109.06558	0.7
109.10170	1.5
113.93430	0.6
114.25616	0.5
117.07027	5.8
119.08588	92.5
120.08926	1.5
121.10138	5.2
127.03935	2.9
131.08595	1.9
133.10138	25.0
135.11742	0.7
145.04996	2.8
145.10117	1.7
146.10925	0.8
147.11665	3.9
160.12463	0.8
161.13290	0.7
162.38226	0.6
163.06004	2.6
173.13260	1.0
175.14828	100.0
176.15167	2.3
215.09187	3.6
233.10197	5.7
237.07092	0.5
248.52515	0.5
269.25775	0.5
269.28757	0.7
285.47873	0.6
289.28781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01877	0.6
55.05510	6.5
61.02931	0.6
67.05509	2.9
69.03435	3.0
69.07070	10.8
69.10358	0.5
71.04630	1.0
71.04996	11.2
79.05520	2.6
81.03426	1.1
81.07065	10.5
82.87953	0.5
83.08625	3.8
85.02908	9.6
88.44876	0.5
91.05486	10.5
93.07039	5.1
95.04967	1.6
95.08606	12.7
97.02889	1.7
99.04440	0.7
100.66924	0.5
103.05457	1.3
104.06270	0.5
105.07035	23.2
105.07743	1.1
107.08599	19.3
109.02846	1.3
109.06502	1.3
109.10146	2.3
117.07024	4.9
119.08584	100.0
120.08946	1.0
121.10146	5.8
123.08102	0.5
123.11712	1.4
125.09634	0.7
125.27629	0.5
125.49893	0.5
127.03931	3.3
131.08536	1.5
133.10130	24.3
135.11699	2.1
137.09641	1.0
139.11194	1.2
145.04990	4.2
145.10161	1.4
146.10938	0.6
147.11711	4.6
157.10176	0.8
159.11615	0.6
161.13260	1.3
163.06049	3.5
167.07159	0.5
173.13255	1.2
175.14828	97.7
176.15140	2.2
181.12198	0.6
185.46875	0.5
187.14899	0.6
193.15849	1.1
211.85144	0.5
215.09230	2.9
233.10193	4.4
241.14406	0.7
284.38577	0.6
301.17795	0.7
301.21539	0.6
319.22635	1.3
337.23935	1.0
507.05704	0.6
552.27399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
55.36873	0.2
56.05035	0.5
58.06351	0.2
58.06618	0.5
60.08164	6.5
63.77417	0.2
64.13475	0.2
64.86373	0.2
67.05499	0.6
67.63947	0.2
69.07054	0.4
71.07371	3.0
71.08630	0.2
79.05497	0.2
80.02547	0.2
81.03421	0.2
81.07051	0.7
83.04987	0.2
83.08593	0.2
85.02918	0.4
86.09705	29.4
91.05441	0.2
93.07022	0.3
95.08636	0.3
97.06511	0.2
98.98463	2.8
99.08067	0.2
103.05479	1.2
104.05820	0.5
104.10747	4.9
105.07064	0.3
106.41849	0.2
107.08618	0.3
109.02915	0.2
109.06477	0.2
109.10232	0.3
118.67612	0.2
125.00002	19.8
127.03944	0.3
131.04912	0.9
132.05269	0.4
133.10156	0.2
138.61555	0.2
151.03778	0.2
163.07513	0.7
164.07797	0.3
168.91765	0.2
184.07336	100.0
185.07652	0.6
203.14680	0.2
251.12512	0.3
258.10989	0.4
262.87579	0.2
269.13620	0.3
389.21152	0.2
452.23911	0.8
516.30853	0.3
534.31927	2.1
552.27960	1.9
552.32776	1.5
553.21490	0.3
553.29694	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	552.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.2
56.05033	0.7
58.06609	0.4
59.07399	0.2
60.08163	5.8
62.63596	0.1
63.40504	0.1
67.05499	0.4
67.40013	0.2
69.03428	0.2
69.07057	0.3
69.19492	0.9
70.06604	0.2
71.07008	0.3
71.07372	2.5
79.05504	0.4
81.03423	0.4
81.07046	0.5
83.04955	0.2
83.08616	0.2
85.02904	0.4
86.09708	29.0
87.10033	0.2
91.05484	0.3
93.07053	0.4
95.08607	0.3
97.60695	0.1
98.23484	0.2
98.98463	2.3
103.05448	0.2
104.10745	7.0
105.07028	0.3
107.08584	0.3
109.02867	0.3
119.08609	0.2
121.10149	0.2
123.98050	0.2
125.00008	20.0
125.89171	0.1
127.03909	0.5
131.04875	0.2
133.10091	0.2
184.07344	100.0
185.07695	0.5
258.11053	0.3
452.24023	1.3
463.17587	0.2
484.78372	0.2
516.30774	0.2
520.20313	0.2
534.32135	1.7
552.33612	4.9
553.29840	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	552.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96817	3.1
55.05519	17.0
56.31968	3.1
57.03436	6.9
57.07082	33.2
61.02896	5.1
65.42844	3.2
67.05205	3.1
67.05502	20.7
69.03436	29.3
69.07073	29.4
70.06578	3.5
71.04991	20.3
73.06535	3.9
79.05502	19.3
81.03420	22.7
81.07063	53.6
83.04984	36.5
83.08616	10.8
83.33363	3.6
85.02908	42.5
85.06530	26.1
86.09689	3.6
91.05497	23.5
91.65389	3.3
93.07053	60.3
95.05002	17.3
95.08616	47.5
97.02898	18.5
97.06525	22.4
99.04462	7.8
100.11266	8.1
100.88026	3.4
105.07036	45.9
107.08610	41.3
109.02910	8.7
109.06519	25.1
109.10152	37.5
111.08076	12.4
115.03936	10.9
117.07035	8.7
119.08588	100.0
121.06531	17.1
121.10152	48.1
123.04547	3.4
123.08060	10.2
123.11711	26.4
125.06006	21.6
125.09624	13.0
127.03889	21.5
127.07575	5.7
127.11195	5.5
129.06995	4.6
129.11212	3.6
131.08534	9.9
133.10129	35.0
135.04437	10.4
135.08081	7.5
135.11690	16.1
137.06001	6.9
137.09622	24.4
137.13242	7.8
139.07503	8.0
139.11182	48.3
143.06943	5.2
143.08549	11.3
145.04977	17.6
145.10144	22.9
147.08044	8.5
147.11670	14.8
149.02351	27.1
149.09579	6.6
151.07576	5.5
151.11185	14.5
153.12735	8.7
155.10716	8.1
157.10132	9.3
159.11703	15.1
161.05951	5.2
161.09584	12.3
161.13225	6.3
163.06027	7.0
163.11206	15.8
163.14857	3.8
165.09140	8.1
165.12787	5.7
167.10666	7.9
169.12253	8.6
171.11702	4.9
173.11833	5.1
173.13281	9.6
175.11203	7.8
175.14818	91.1
179.10719	5.8
181.10071	3.9
181.12254	15.3
182.11124	3.8
183.10179	4.7
185.13232	7.8
187.11255	8.4
187.14796	8.1
189.09137	6.1
191.14287	4.6
193.12311	4.8
197.15500	3.5
199.13278	7.2
199.14989	4.2
201.16360	6.4
203.07018	17.9
203.14293	6.7
207.13831	6.5
213.16348	8.0
215.14363	5.5
217.12122	4.1
217.15837	6.8
219.13895	4.0
221.07362	4.0
225.14813	6.0
231.06543	7.8
231.17406	4.9
235.16901	8.4
241.14397	26.3
253.14384	9.8
273.22089	6.0
283.20441	4.9
289.21487	7.5
291.23251	10.4
301.21613	33.6
303.04773	5.3
304.05219	5.2
307.22662	11.4
308.12973	5.7
319.22729	68.0
325.11185	5.4
337.23706	68.9
355.11749	5.1
355.24686	6.7
512.98810	4.4
552.25757	12.4
552.44647	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01883	4.9
55.05514	14.4
55.05734	2.7
55.07412	2.1
57.03434	5.2
57.07076	24.9
59.04990	6.8
61.02923	4.7
65.03916	2.9
67.05508	26.5
69.03429	31.0
69.07065	26.6
69.10351	2.2
69.37490	5.0
69.37904	9.0
71.04997	21.0
72.54719	2.0
73.02924	2.8
73.06533	2.8
79.05485	26.3
81.03424	12.2
81.07058	67.0
83.04986	26.1
83.08599	6.4
85.02914	34.9
85.06538	14.5
87.04496	3.7
91.05467	18.8
93.07045	64.6
95.04984	19.4
95.08605	50.2
97.02900	13.2
97.06526	17.5
97.10170	6.4
98.22718	4.0
99.04456	6.2
99.08092	5.6
105.07027	30.8
106.06562	4.1
107.04948	7.7
107.08599	53.7
107.09346	3.0
109.02872	8.4
109.06510	13.4
109.10159	41.5
111.04386	2.6
111.08074	11.1
113.05993	3.2
115.03923	9.8
117.07019	3.3
118.83517	2.1
119.08591	31.6
120.04501	3.5
120.08143	5.0
121.06515	5.9
121.10149	85.0
123.08076	20.9
123.11708	31.9
125.05956	6.1
125.09637	31.2
127.03891	13.1
127.07568	4.0
127.11205	4.3
131.04836	2.2
131.08527	13.0
133.06480	2.5
133.10123	29.5
135.08063	9.9
135.11688	29.9
135.12666	3.3
136.07582	3.5
137.05980	5.3
137.09601	36.4
137.13213	7.3
139.03896	3.5
139.07530	4.4
139.11176	13.6
141.09096	5.7
143.08565	7.0
145.04974	10.2
145.06435	1.9
145.10088	19.5
147.08095	3.0
147.11696	7.2
149.02370	3.0
149.09599	11.3
149.13235	3.1
151.03865	2.6
151.11194	20.5
153.12753	9.0
155.08528	2.3
155.10617	10.0
157.10162	9.3
159.11650	10.9
161.05989	2.2
161.09599	9.5
161.13248	6.5
163.11212	13.7
165.09137	3.0
165.12746	4.9
167.10680	12.2
169.10054	4.2
169.12265	6.3
171.11699	5.4
173.13263	11.2
175.11211	5.2
175.14796	8.4
177.12794	4.9
179.10655	11.7
181.12225	12.6
183.10091	3.2
183.11668	3.9
185.11766	3.8
185.13306	6.6
187.07568	6.0
187.14803	6.3
189.12740	4.8
189.16389	5.2
191.14354	3.5
193.15970	3.0
197.11694	4.3
199.13191	3.5
199.14830	6.0
201.16458	3.9
203.06985	2.7
203.14272	6.7
205.08620	20.3
205.15901	3.7
213.16399	3.6
215.14265	5.3
215.17961	7.5
217.15840	5.8
221.15393	3.7
227.14265	4.1
231.17372	5.9
233.15355	4.2
233.19023	4.6
235.09378	2.3
235.16885	4.3
243.17490	2.5
245.15205	3.6
251.16360	4.9
251.20041	5.4
255.21080	2.8
257.18961	2.4
267.19519	2.7
269.17477	5.3
273.22073	6.6
275.13364	2.5
275.20090	10.6
283.20590	13.3
289.21671	10.3
291.23132	4.7
293.21051	16.6
301.21619	37.6
307.22696	18.1
319.22684	100.0
320.23257	2.3
325.23688	6.1
337.19806	4.8
337.23740	79.3
338.23819	2.4
355.24704	9.5
404.85672	2.3
552.29858	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43374	0.7
55.05500	2.8
55.18285	0.6
56.20529	0.6
57.03438	10.6
57.07075	58.3
57.47082	0.6
58.07384	0.7
58.22348	0.7
58.22688	0.6
61.02925	4.9
65.49801	0.7
67.05504	7.5
67.54105	0.7
69.03410	1.1
69.07048	2.7
71.04984	1.7
71.08632	19.3
73.02924	0.8
79.05452	0.8
81.06634	0.8
81.07058	11.4
83.04981	0.8
83.08617	2.0
85.02912	3.3
85.10172	10.0
87.04465	1.0
89.06017	6.4
91.03928	1.8
95.08609	11.6
97.02848	1.9
97.10181	1.3
103.07582	4.8
109.10145	5.7
124.93790	1.2
127.11186	19.4
137.13283	1.7
145.12201	4.8
155.14305	9.8
156.96359	2.0
173.15372	2.2
201.14848	100.0
202.15228	2.4
229.17979	80.9
230.18349	1.4
319.12122	0.7
330.49744	0.7
355.28409	61.5
356.28708	2.4
369.44843	0.7
461.14047	0.7
472.35416	0.9
493.22330	1.3
494.23425	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	553.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	51.0
69.52097	5.4
69.52490	5.9
70.98131	21.1
75.16915	2.2
77.63864	2.1
79.55396	2.5
80.58252	2.3
88.66764	2.3
88.99170	5.3
98.97590	32.0
116.98584	15.4
134.99646	9.6
153.28639	2.7
165.02324	4.3
172.11287	3.2
174.12801	3.1
177.02229	3.8
177.37874	2.7
179.03838	7.2
183.03362	7.7
186.12683	3.9
195.03319	9.9
197.04922	11.1
199.02779	4.4
213.04411	4.8
218.08560	3.0
218.11751	10.4
220.06412	3.7
227.06013	6.2
228.06956	6.7
230.08583	8.1
246.08006	3.0
248.09654	8.5
256.06558	6.2
268.10062	3.1
270.11679	8.0
271.04877	9.8
274.07480	48.7
288.09195	4.3
288.12640	11.1
289.06107	7.9
292.08505	19.4
297.09042	3.5
298.11069	23.0
302.10675	3.7
308.72998	3.0
316.08627	12.4
316.12164	89.0
331.40283	2.9
334.13293	5.2
339.13904	11.9
350.14310	5.2
352.12180	4.6
358.13220	7.4
366.13834	4.3
368.15469	3.7
370.13147	6.4
376.14243	6.1
396.11093	20.9
405.61902	3.1
408.14850	5.4
414.12137	5.6
426.15948	20.6
440.13885	2.8
444.16803	12.3
452.13803	61.2
470.14914	100.0
488.15921	27.9
493.16641	14.4
511.17169	5.8
522.87640	2.9
530.16797	5.2
553.29254	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	553.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
58.06992	0.6
65.03969	1.0
69.11656	4.4
78.04707	1.3
79.05483	3.1
81.07027	0.7
83.01329	2.4
88.00089	0.7
91.05481	14.0
95.04958	3.2
102.04722	1.1
103.05463	2.5
105.04485	0.7
105.07025	9.7
107.04920	1.2
108.05724	2.0
109.06510	1.5
115.05450	3.0
117.07023	1.5
118.87685	0.7
121.06508	24.9
123.04436	0.8
123.08066	5.1
125.06002	2.5
128.52661	0.7
130.04141	5.6
133.06487	3.2
135.04436	4.9
135.08061	9.0
137.05975	12.0
139.07567	4.2
145.06488	16.3
147.08029	3.2
148.05168	1.1
149.05998	1.0
149.07129	1.0
150.06755	24.2
151.07550	40.6
160.05197	1.6
161.05980	69.7
163.07564	4.6
165.09113	26.4
175.07545	73.9
176.08167	2.3
181.06461	1.4
185.05998	0.9
195.08109	1.4
197.09650	1.0
208.08891	1.0
209.09644	0.9
210.06750	2.7
211.07397	1.0
211.11320	0.8
213.09151	1.2
223.07457	0.7
224.08357	9.1
225.09109	3.2
226.06180	6.0
226.09900	1.3
226.36389	0.7
227.06856	1.1
235.07552	0.8
237.09052	2.0
239.10658	7.7
240.07872	0.8
241.08598	10.5
241.12273	1.0
249.09004	0.9
251.06989	2.0
252.07782	3.0
253.08594	10.7
253.99316	0.8
254.09357	3.1
255.10185	1.9
256.10867	1.9
265.08673	1.8
267.10165	23.6
268.10947	8.2
269.08173	2.8
269.11566	1.8
270.08917	1.0
270.12350	1.1
271.13480	1.3
276.88138	0.9
284.10510	4.0
285.11264	4.7
299.12784	100.0
300.13019	1.8
301.14331	1.9
327.10272	1.5
340.10809	1.0
341.11679	3.4
342.12598	1.1
353.11496	1.2
354.12491	0.9
355.09583	1.1
356.10168	1.4
357.11102	2.0
359.12793	0.8
368.10458	1.5
369.11127	7.3
370.12042	18.1
371.12964	4.7
383.12878	4.3
384.13467	9.4
386.11606	2.3
401.13788	16.0
402.14594	1.2
415.15482	3.7
454.47882	0.9
505.16498	1.8
521.19543	5.1
535.21149	19.1
553.22131	14.6
554.22388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82751	2.2
72.16679	0.9
79.05492	4.2
83.01371	1.2
91.05491	10.0
92.22968	0.7
93.07047	0.9
95.04959	1.8
98.22762	1.0
103.05490	2.5
105.04498	1.4
105.07013	8.8
108.05724	0.9
115.05422	2.3
120.05699	1.4
121.05717	1.6
121.06510	18.4
121.07334	1.5
123.08074	3.7
125.05991	1.4
130.04184	2.5
132.05710	1.2
133.06523	1.3
134.93849	1.1
135.04417	6.3
135.08041	10.1
137.05997	6.2
139.07562	2.8
141.06889	0.9
145.06505	9.1
145.89287	0.9
147.08047	2.0
148.05194	1.0
150.06754	27.9
151.07550	25.1
161.05981	35.0
163.07564	2.5
165.07016	1.5
165.09120	23.6
171.08066	1.0
175.07547	40.4
179.08650	0.9
181.06500	2.0
182.07295	3.3
183.08125	1.0
185.06012	3.6
193.10181	0.8
194.07291	0.8
196.08916	1.1
198.06816	0.8
209.05949	1.9
209.09628	0.9
210.06862	1.7
211.07584	3.4
221.09715	1.2
223.07542	1.5
224.08327	3.4
225.09091	3.3
226.06204	4.1
237.09093	1.8
238.06189	1.8
238.09901	0.8
239.10773	2.4
241.08588	25.2
246.42175	0.8
249.09155	0.8
251.07008	1.4
252.07814	5.7
253.08572	11.9
254.09430	2.8
255.10089	1.4
265.08890	0.8
267.10162	16.4
268.10941	3.2
269.08011	2.5
269.11517	1.4
271.13297	0.8
279.10101	1.0
281.08078	2.9
284.10550	2.0
285.11249	1.2
296.12350	0.8
299.12799	37.8
311.10638	1.0
327.10260	3.6
328.11029	1.9
341.11740	5.5
342.12531	2.3
355.09671	1.7
355.13519	1.4
356.10321	1.5
357.11200	13.6
368.10291	1.0
369.11197	9.3
370.12012	74.4
371.12683	5.7
383.12747	5.8
384.13513	4.6
385.10672	1.5
401.13696	3.5
415.15430	3.2
489.17212	1.2
491.14938	2.8
521.19604	100.0
522.19855	2.9
535.20911	10.1
553.22205	13.6
565.72375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2776
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
60.21273	1.3
62.94873	1.0
68.26586	1.0
74.42082	0.9
81.06252	1.0
91.05493	2.0
98.97605	1.8
104.10748	1.3
105.07021	1.7
109.01421	1.1
121.06499	5.2
131.00208	1.2
135.08084	2.9
140.40923	1.1
151.07578	1.4
175.07576	1.5
176.92404	2.9
194.93462	1.2
210.64087	1.0
230.95201	1.2
250.96115	1.2
253.08856	1.2
267.10339	1.8
269.11780	1.7
270.12668	2.4
280.10834	1.5
285.10913	1.3
317.18048	3.0
419.12769	2.2
430.56195	1.1
437.13797	1.9
493.16489	5.1
521.19232	1.4
553.20801	4.4
553.27844	100.0
554.28033	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	553.2987
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
59.96421	0.3
61.12691	0.3
69.24741	1.4
79.05486	0.3
81.03439	0.3
83.01097	0.4
84.01883	0.6
85.83698	0.2
93.07039	0.3
94.00787	0.3
95.01099	0.8
96.01852	0.4
96.60849	0.3
100.21155	0.3
105.90758	0.3
156.03888	0.4
157.04732	0.6
184.03424	0.7
185.04219	1.9
201.03729	1.1
203.05270	2.1
251.12639	0.5
259.07922	2.9
274.18866	0.3
331.09979	2.8
345.11694	0.7
348.81320	0.3
359.13187	0.6
373.14697	0.7
391.24521	0.6
401.18051	0.5
415.19473	1.0
441.21164	0.5
446.02969	0.3
455.22879	0.7
483.22009	1.9
535.28705	0.7
553.29846	100.0
554.30194	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	553.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68140	1.5
95.08630	0.4
98.22769	0.9
111.77688	0.4
123.94857	0.4
157.04703	0.5
177.10831	0.4
185.04193	3.1
201.03751	1.1
217.84070	0.4
243.67880	0.4
275.07300	0.9
301.08966	0.5
331.10071	3.0
345.11719	1.1
359.13089	0.9
373.14703	0.8
391.24631	1.3
401.17978	0.6
415.19266	0.7
428.04807	0.4
455.22372	0.7
483.21915	2.6
535.29010	1.1
552.49109	0.4
553.29816	100.0
554.21265	1.6
554.30170	3.9
581.65686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.299
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
68.23206	0.3
70.74860	0.5
73.84866	0.3
76.40480	0.3
83.08599	0.4
83.13600	0.3
93.72912	0.3
110.22845	0.3
120.08135	0.5
203.05342	0.6
259.07947	1.2
317.20456	0.4
391.24521	3.0
429.24991	0.4
486.52795	0.3
553.29852	100.0
554.30103	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	553.2988
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.06591	0.3
67.05523	0.5
69.07069	0.6
69.92762	1.1
74.81391	0.3
79.05507	0.3
79.94175	0.3
81.07074	0.9
86.48505	0.3
91.05499	1.1
95.08624	0.3
105.03410	0.3
105.07056	0.9
121.06526	1.2
126.95802	0.3
135.08098	1.3
149.36531	0.4
151.07602	0.4
154.94212	0.5
161.05948	0.4
163.00060	0.4
166.57269	0.3
172.95268	0.6
190.96442	0.3
197.98357	0.4
198.97421	2.9
199.02174	0.4
216.98503	0.4
219.62416	0.3
228.97993	0.3
238.10060	0.3
239.10811	0.4
267.10165	0.4
271.13632	0.3
377.26608	4.9
449.70511	0.4
456.35272	0.3
493.24335	0.6
553.29919	100.0
554.30341	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	553.299
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.01873	0.4
55.05515	0.4
56.67319	0.3
56.70837	0.3
57.03426	0.4
64.17185	0.3
67.05511	1.3
69.03432	0.6
69.07068	1.1
78.14725	0.4
79.05501	1.4
81.03400	1.9
81.07063	1.8
83.04996	0.8
83.08633	0.6
85.02911	2.0
87.57629	0.3
91.05505	1.2
93.07062	1.2
95.04973	0.7
95.07639	0.3
95.08627	1.0
97.02895	0.5
97.06557	0.5
105.07040	1.1
107.08595	0.8
108.32935	0.4
115.05442	0.3
119.08604	0.9
121.06523	0.6
121.10180	1.4
123.11768	0.3
127.03917	0.7
129.06967	0.5
131.08546	0.6
133.10187	0.5
138.42137	0.4
139.11172	0.4
144.09660	0.3
147.11693	0.4
149.09641	0.7
150.81351	0.4
152.08046	0.3
157.10167	0.6
165.09245	0.3
175.11209	0.7
184.07388	0.5
193.12341	0.7
225.11063	0.4
238.49226	0.3
251.12546	4.7
269.13617	6.2
271.22870	0.4
281.13663	0.5
285.16989	0.7
289.14240	0.6
307.15201	3.3
325.16211	2.6
388.84937	0.4
435.16385	0.4
509.27344	0.9
524.56812	0.3
535.28809	3.9
553.29871	100.0
554.30408	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	553.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63141	72.1
70.88794	100.0
144.15248	75.8
146.31900	69.5
158.83363	69.6
174.12469	67.0
180.98172	72.6
247.70918	70.7
282.10748	79.6
312.79440	93.2
424.21027	79.8
505.59576	73.0
514.10754	70.2
561.98273	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.4
69.86846	2.4
69.87241	1.9
73.29340	1.1
79.05494	3.9
81.07082	1.5
86.09690	1.6
91.05487	2.8
93.06989	1.2
95.04962	2.3
98.23351	1.3
101.17242	1.3
103.05463	3.5
105.04528	1.6
105.07052	2.3
107.04961	100.0
115.05492	1.4
121.06505	4.6
130.76277	1.1
131.04938	27.0
132.05707	3.0
135.04422	13.1
135.08051	6.5
135.98575	1.0
136.08487	1.3
141.06987	2.1
141.43512	1.2
145.06488	2.8
157.06493	1.7
169.06485	9.9
182.04604	1.1
184.07370	6.8
194.93245	1.1
202.07826	2.4
207.07990	1.5
209.18307	1.3
217.10072	1.7
220.08794	3.1
231.08020	1.3
235.11128	5.0
245.09633	2.8
247.07547	1.2
248.08365	2.5
263.10693	42.5
264.11102	1.5
267.10144	3.0
268.10529	3.1
270.12479	1.7
278.77597	1.1
337.27518	1.4
415.15436	2.6
494.23157	1.6
494.38782	1.1
522.22900	1.6
554.24005	3.6
554.38690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01875	0.4
57.03428	0.6
61.02927	1.0
68.99795	0.4
69.03423	1.9
71.01344	0.3
71.05010	0.2
73.02911	0.4
77.03935	0.2
79.05489	0.6
81.03418	0.9
85.02903	10.1
87.04459	0.2
91.03933	0.5
91.05475	4.1
93.58810	0.1
95.04974	0.3
97.02894	3.1
98.69888	0.2
99.04464	0.5
103.03947	0.2
103.05462	2.5
104.06245	0.3
105.03397	0.5
107.04949	14.2
108.05264	0.2
109.02879	1.9
111.04423	0.2
115.03957	0.2
115.05438	0.2
117.07003	0.1
119.04930	0.3
121.02848	2.3
127.03910	2.3
129.07025	0.7
130.07431	0.1
131.04944	0.3
135.04411	25.8
136.04773	0.2
141.06990	0.5
142.07713	0.2
143.08575	0.7
145.04956	4.5
145.06578	0.2
145.10025	0.2
152.06186	0.9
155.08560	0.1
157.06552	0.1
157.10165	0.3
163.06001	1.4
165.07040	0.8
166.07693	0.4
167.07169	0.2
167.08562	2.9
176.06207	0.2
177.05589	0.2
177.06953	1.0
180.08588	0.1
181.30537	0.1
185.09590	0.4
195.08064	1.3
198.06778	0.3
209.09610	0.4
213.09090	100.0
214.09439	2.4
225.09077	0.9
237.09099	1.2
249.09155	0.3
255.10179	1.1
271.13116	0.1
279.10117	1.1
321.11057	0.3
339.12109	0.5
357.13019	0.3
375.14343	0.5
392.24084	0.2
554.29333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01859	1.3
57.03429	1.5
61.02918	0.9
65.03938	0.4
67.05499	1.8
68.99789	1.7
69.03422	3.3
69.49503	1.5
71.04974	0.6
73.02917	0.5
79.05494	2.9
81.03414	2.4
81.07053	0.4
83.01332	0.8
85.02903	6.5
87.00815	3.3
90.92657	0.3
91.05479	2.1
93.07037	0.7
95.04952	1.0
95.08611	4.2
97.02890	2.3
99.04425	1.3
103.03964	0.4
103.05444	1.6
105.01884	1.8
105.04543	0.4
105.07023	10.0
107.04929	0.6
108.05733	0.9
109.02863	1.9
109.06506	1.3
115.05463	0.4
117.01762	0.5
117.07013	0.4
119.08567	0.8
120.05738	0.9
121.06492	4.7
123.04418	0.4
123.08073	8.5
127.03909	3.6
129.01834	1.3
129.07054	0.3
133.06483	6.7
135.04407	3.0
135.08069	1.7
136.05205	0.5
137.05956	3.9
139.07541	1.3
145.04938	2.3
145.06439	1.0
147.02866	1.4
147.08012	2.3
150.06754	35.5
151.07535	100.0
152.07869	1.6
153.09100	0.6
158.69067	0.3
159.02893	1.5
161.05966	1.0
161.09605	0.4
163.07521	0.4
165.09109	41.3
166.09427	0.8
171.08081	0.7
174.06694	0.5
175.07533	11.7
175.72549	0.3
187.07504	0.7
188.08340	0.7
189.09068	1.5
196.08734	0.3
197.09575	0.6
198.06686	0.4
199.07533	0.6
203.06984	1.0
211.11261	0.4
213.09064	0.6
217.08577	4.2
224.08263	0.4
225.09081	1.6
231.04936	0.7
241.08633	1.6
252.11269	0.4
257.11777	3.8
259.09702	1.7
271.13358	1.6
283.13269	8.7
289.14325	57.1
290.14670	1.9
295.13342	0.6
299.12854	1.9
305.11679	0.4
308.18509	0.7
310.12003	0.9
310.81259	0.4
311.12631	0.6
313.14331	20.5
314.14581	0.5
323.12552	0.8
325.14203	1.6
331.15417	2.1
337.14313	1.4
347.12714	0.7
351.15887	0.6
355.15387	26.1
356.15787	0.7
361.14264	0.7
379.15390	11.9
396.21448	0.5
397.16418	6.2
483.16278	1.0
501.17310	1.0
554.27460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	0.8
57.03426	0.9
61.02934	0.7
63.30886	0.5
67.05495	1.2
68.99779	0.8
69.03420	2.2
70.06590	1.7
71.04978	0.6
73.02908	1.1
78.17781	0.5
79.05494	2.0
79.36449	0.5
81.03425	2.8
85.02908	6.0
86.09700	0.9
87.00848	3.2
91.05481	8.8
93.07042	4.4
95.04987	1.8
95.08603	0.7
97.02889	2.5
99.04450	1.2
103.05469	3.3
105.01842	2.1
105.04534	1.5
105.07019	4.6
108.05758	1.5
109.02874	2.1
115.05421	0.9
117.07000	0.9
118.04159	0.8
119.04951	2.5
121.06507	12.8
123.08070	8.3
124.05207	0.6
124.99947	0.8
127.03918	3.9
129.01814	0.9
133.06502	3.8
135.04410	2.6
135.08040	2.4
136.05173	4.3
137.05980	4.1
139.07526	2.6
145.04936	1.8
147.02913	0.6
147.08073	1.5
149.07083	0.7
149.61055	0.7
150.06763	26.3
150.07993	1.2
151.07541	100.0
152.07907	1.2
159.02885	1.3
160.05145	1.2
161.05984	2.2
165.09120	31.1
175.07541	17.5
184.07355	2.1
189.05324	0.7
189.09117	1.2
193.08652	0.8
203.07011	0.9
217.08650	2.2
217.67682	0.5
225.09067	1.6
241.08574	1.9
257.11801	2.8
259.09610	1.6
271.13452	0.8
283.13257	2.9
289.14337	53.7
290.14661	2.1
291.43842	0.6
299.12814	1.9
301.14420	0.8
313.14325	28.9
314.14554	1.1
325.14346	1.2
327.15823	0.6
329.68832	0.7
331.15399	4.5
355.15384	16.4
356.15820	0.7
377.02661	0.6
379.15466	6.5
397.16443	9.2
483.16083	0.9
501.17343	1.0
547.41467	0.6
554.21558	1.0
554.34491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01871	3.8
55.05486	0.5
56.05005	1.3
57.03414	0.7
58.06596	3.2
59.03717	0.6
59.04967	0.3
59.94889	0.3
61.02888	1.1
61.03197	0.3
67.05507	5.4
68.05003	0.5
69.03428	5.4
70.02946	1.6
70.06586	1.8
71.04948	0.7
71.07363	2.6
71.45724	0.3
72.04514	2.8
72.40208	0.3
73.02896	0.6
74.06055	0.4
79.05500	1.8
80.04987	1.0
81.03411	4.4
81.07051	1.8
82.06536	1.0
83.07341	0.5
84.04482	1.6
84.08129	0.6
85.02421	0.4
85.02905	7.0
85.05257	0.6
86.06068	2.5
87.04423	0.6
88.03996	0.6
91.05460	1.5
93.07040	1.9
94.06576	1.7
95.04967	15.7
95.08607	9.1
96.04472	0.6
96.08112	1.0
97.02363	0.3
97.02893	4.2
97.05268	0.4
98.06023	0.7
99.04418	0.4
100.03963	0.5
102.05501	0.9
103.05413	0.6
105.04485	0.3
105.06480	0.3
105.07033	3.7
106.06516	0.5
107.08540	1.2
108.08083	0.5
109.02857	0.9
109.06528	2.3
110.06015	1.0
110.09637	0.8
111.04412	0.9
112.07600	5.4
114.05539	0.3
115.05420	0.4
117.06974	1.0
119.04907	1.2
119.08510	0.4
120.08064	1.2
121.06473	1.4
122.06001	1.5
122.09644	1.8
123.04426	24.7
123.08059	2.7
124.05209	0.5
124.07588	0.5
125.05975	0.4
127.03860	1.2
129.06978	0.9
131.04930	0.3
132.08064	0.8
133.06471	2.9
134.06003	0.4
134.09663	1.7
135.07011	0.3
135.08023	1.0
136.07498	1.0
136.11221	3.4
137.05974	7.9
141.05458	0.6
145.06425	0.9
146.05954	0.7
146.09613	0.7
147.04366	0.9
147.07959	0.6
148.07526	1.5
148.11151	0.6
149.05901	1.2
150.09138	9.2
151.03908	3.4
151.05002	0.5
151.07529	6.1
152.08278	1.2
157.06456	0.4
160.07616	0.3
160.11153	0.5
161.05977	4.5
162.09125	1.6
163.07520	1.0
163.09889	1.0
164.07042	0.7
164.10670	0.9
165.05478	11.5
166.08662	0.6
168.10193	4.5
174.09148	4.6
175.07515	0.5
176.06990	0.4
176.10703	0.6
177.05283	0.3
178.07129	0.6
178.08621	9.1
179.06976	0.7
180.10188	4.2
182.08156	0.4
188.10710	0.5
189.05443	1.4
190.08620	0.9
191.06993	0.3
191.09392	0.6
192.10182	0.8
193.08585	0.4
194.08099	3.8
194.11777	1.0
196.09636	1.0
202.08627	9.2
203.07019	0.9
203.08946	0.6
204.10191	1.4
205.08565	2.3
206.11610	0.5
207.06606	2.2
208.09665	0.9
209.10455	5.4
210.11041	0.3
215.07167	0.7
215.09242	0.4
218.08165	0.4
220.09702	6.6
220.13234	0.8
222.11253	1.5
224.09108	0.4
230.11761	0.9
233.08127	1.5
238.10681	0.3
245.07977	0.3
246.11191	0.8
284.16037	0.4
286.14417	0.6
292.19064	0.3
293.12054	0.3
296.12747	0.7
312.15686	0.5
314.13831	5.6
321.11139	0.4
327.12689	0.3
328.15503	1.1
330.16977	1.3
332.14902	35.4
333.15198	1.6
338.13657	0.4
339.12216	1.2
356.14761	2.3
357.13345	1.2
374.15961	9.8
375.15024	0.3
392.17007	100.0
393.17401	4.1
434.18161	0.3
436.27835	0.3
456.17700	0.5
458.17847	0.5
494.19916	1.2
518.20374	0.6
536.28967	0.4
554.22223	30.8
554.29462	2.7
555.22418	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	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01868	1.3
61.02903	0.5
62.37511	0.5
63.45193	0.6
65.03956	0.6
68.99773	1.3
69.03424	2.2
69.77772	1.6
72.92366	0.5
73.02911	1.0
77.03933	0.5
79.05486	1.9
81.03414	3.1
85.02903	7.2
86.09677	0.7
87.00851	2.6
91.05479	7.6
93.07048	4.3
95.04966	1.9
95.08595	0.6
97.02886	2.5
99.04443	1.3
103.05470	3.8
105.01859	1.8
105.04527	0.7
105.07043	3.8
107.04924	0.7
108.05713	1.5
109.02864	3.2
117.06984	0.6
118.04130	0.7
119.04939	1.9
120.05752	0.7
121.06509	11.9
123.04403	0.6
123.08070	7.6
123.79399	0.5
125.00066	0.5
127.03921	3.2
129.01859	1.3
133.06525	2.5
135.04424	1.7
135.08049	2.1
136.05179	3.1
137.05984	4.7
139.07536	2.2
145.04979	2.3
147.02879	0.8
147.08018	1.6
149.07043	0.7
150.06752	23.0
150.10599	0.6
151.07539	100.0
152.07884	1.3
159.02931	1.6
160.05200	1.5
161.05974	2.3
163.07523	0.5
164.70085	0.5
165.09109	28.4
175.07538	16.2
177.97652	0.5
184.07347	2.0
185.07658	0.5
189.09152	1.8
193.08620	0.7
203.06984	0.5
217.08618	3.0
225.09196	0.6
226.06331	0.6
241.08521	1.4
257.11755	1.9
259.09662	1.7
271.13193	1.2
283.13199	3.1
289.14328	54.1
290.14709	1.1
295.87683	0.5
299.12759	2.0
301.14337	1.8
307.09747	0.6
311.12802	0.8
313.14340	28.6
314.14755	0.8
323.12662	0.6
325.14273	1.6
331.15402	4.4
351.16010	0.7
355.15399	15.5
356.15204	0.6
356.78702	0.5
379.15417	8.6
397.16449	9.0
465.15607	0.6
483.16364	0.9
501.17514	1.0
554.00049	0.6
554.20825	2.0
554.34943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01858	0.9
55.05494	0.3
57.03431	0.9
61.02908	0.8
66.77533	0.2
67.05493	1.1
68.99786	1.5
69.03429	3.5
69.42803	1.1
71.01367	0.3
71.04991	0.3
73.02901	0.9
79.05492	3.1
81.03423	2.5
81.07056	0.5
83.01326	1.3
83.08613	0.2
84.08123	0.3
85.02407	0.4
85.02903	7.2
87.00829	2.5
91.03922	0.4
91.05476	2.5
93.07048	0.5
95.04948	1.3
95.08597	4.3
97.02895	2.3
99.04446	1.0
103.03906	0.2
103.05472	1.5
105.01853	1.5
105.04473	0.3
105.07023	9.9
107.04944	1.1
107.08562	0.3
108.05717	0.9
109.02870	2.2
109.06518	1.7
114.87524	0.2
115.05457	0.5
117.01833	0.3
119.04897	0.3
119.08575	1.0
120.05743	1.1
121.06496	5.5
123.04421	0.5
123.08058	8.5
124.05132	0.2
127.03912	4.0
128.06172	0.5
129.01804	1.3
129.06958	0.4
131.04861	0.3
132.05688	0.3
133.06483	6.1
133.07492	0.4
135.04416	3.4
135.08022	2.1
136.05173	0.4
137.05963	3.9
139.07555	1.5
139.23367	0.2
145.04942	1.8
145.06458	0.6
147.02878	1.1
147.08031	2.8
149.07095	0.4
150.06752	37.0
151.07532	100.0
152.07883	1.4
153.09105	0.4
158.07280	0.3
159.02919	1.2
159.08041	0.7
161.05968	0.8
161.09625	0.3
165.09105	45.3
166.09465	0.7
174.06755	0.6
175.07535	10.5
179.08534	0.3
187.07463	0.7
188.08278	0.4
189.03889	0.5
189.09070	1.0
197.09576	0.3
198.06819	0.3
199.07452	0.5
203.07014	1.3
211.11110	0.2
213.09109	0.6
215.06848	0.3
217.08597	3.5
223.07509	0.3
225.09142	1.3
227.07086	0.3
229.08601	0.3
231.04936	0.8
239.10658	0.4
241.08537	1.9
242.09276	0.3
257.11713	3.4
259.09705	1.5
268.10867	0.3
271.13275	3.1
281.11667	0.3
283.13254	7.7
289.14319	44.6
290.14816	1.2
295.13159	0.6
299.12729	1.8
301.14490	0.3
304.10776	0.3
308.18613	0.7
309.11417	0.3
309.14832	0.6
310.11960	0.8
311.12674	0.6
313.14331	16.6
314.14819	0.4
319.13269	0.3
323.12851	0.4
325.14383	1.4
331.15372	1.6
337.14319	1.0
347.12814	0.3
351.15778	0.6
355.15381	20.3
356.15698	0.7
361.14307	0.4
379.15353	8.6
380.15656	0.4
396.21362	0.3
397.16412	4.7
465.14691	0.3
483.16357	0.9
501.17383	0.9
509.45139	0.3
554.27563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22868	0.5
55.01876	0.6
57.03436	3.9
59.04998	1.5
69.03065	0.9
69.03432	14.6
69.38901	1.1
69.39258	2.7
74.62949	0.5
79.05483	1.9
84.08137	0.9
85.02909	8.5
86.27614	0.6
87.04465	8.5
91.05489	1.9
95.04961	1.0
97.02905	10.0
98.23447	1.4
103.05478	2.9
105.07030	100.0
106.07376	1.2
110.12372	0.7
115.03934	11.1
127.03959	0.7
133.04063	1.2
133.04971	12.2
134.55380	0.7
137.05939	1.1
139.07524	0.7
145.04948	1.7
150.07596	2.5
151.07497	1.0
156.99854	0.6
163.07506	0.7
165.09122	2.4
166.78487	0.6
169.04906	0.7
175.07607	0.7
184.07408	1.6
188.08292	0.9
189.09138	0.7
201.09113	1.5
243.13815	18.5
244.14008	0.9
255.13834	1.2
267.13794	10.0
279.13840	2.6
285.14911	8.1
292.59961	0.8
305.15836	0.6
309.14832	4.1
321.14841	4.4
339.15820	6.3
351.15967	0.9
369.17007	2.9
375.18350	0.9
405.18942	1.1
554.20642	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	554.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
67.05533	2.0
67.18816	1.2
70.53351	2.6
79.05489	1.7
81.07084	1.7
91.05505	5.7
93.07060	4.3
93.09440	1.4
94.82648	1.2
95.08622	1.2
96.25286	1.5
103.37744	1.2
105.07050	3.7
107.08578	1.7
109.06567	1.8
121.06507	8.8
122.06852	1.8
135.08051	9.9
138.06805	3.1
139.07576	2.8
151.07623	1.7
153.09135	9.6
165.09219	1.7
167.07094	3.0
179.08775	1.6
181.08644	8.2
207.11806	1.9
209.09726	1.6
210.10545	1.4
220.08974	1.4
235.11346	2.9
238.09860	3.1
239.10715	3.2
252.11548	4.2
253.12267	15.4
254.13103	5.9
265.12375	5.5
267.13779	10.2
268.14615	13.6
269.11835	3.4
279.13742	1.5
281.11948	3.9
282.12231	2.9
337.27264	1.4
372.13580	2.1
373.17966	9.4
379.41891	1.4
386.15414	2.5
387.15900	7.6
401.17426	6.4
402.18518	8.2
403.15567	3.8
417.17053	2.8
418.17978	3.8
433.20374	4.6
451.15170	1.6
472.01880	1.8
494.22717	2.5
554.26697	100.0
554.37238	6.9
555.31555	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	554.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.3
55.01849	0.7
55.05485	0.7
56.04997	0.5
57.03386	1.0
59.99805	0.3
61.02897	0.7
61.09722	0.3
62.42112	0.3
63.41606	0.3
67.05448	1.6
67.05798	0.6
69.03435	3.3
69.70509	0.4
69.70821	0.9
70.06590	1.7
70.72533	0.3
71.04954	0.8
73.02895	0.6
79.05443	1.1
79.61803	0.3
80.05016	1.5
81.03372	0.9
81.07006	0.8
82.06529	1.3
83.04952	0.5
84.08068	1.0
85.02904	2.8
87.04430	0.8
91.05433	1.2
93.07005	1.5
94.06570	25.7
95.04925	0.5
95.08607	1.9
96.04449	0.6
96.08108	2.1
97.02845	1.4
97.06495	0.4
98.09660	0.5
99.04431	0.8
100.07571	0.6
105.06979	1.5
107.08560	0.9
109.02834	0.5
109.10122	0.5
110.05963	0.5
110.09627	0.9
111.04382	0.5
115.03912	0.3
116.07030	1.3
118.06509	0.7
119.08502	1.3
120.08103	4.1
121.06493	0.3
121.10067	0.5
122.09650	1.8
123.04397	0.5
123.08040	0.7
125.05956	0.7
127.03873	0.6
131.08511	1.0
132.08073	0.7
133.06415	0.3
133.08917	0.6
133.10060	1.4
134.09627	0.9
136.07590	2.6
136.11224	14.2
140.07005	1.2
142.08623	0.5
143.08487	0.7
145.10063	0.8
146.09630	0.5
147.11646	0.6
148.11163	1.2
150.09123	1.6
151.07509	0.8
152.10579	0.4
158.08138	3.2
159.11606	0.5
160.11124	0.9
162.12772	1.7
168.10185	0.9
172.11169	0.4
174.12801	0.9
176.14421	1.6
177.12733	0.4
178.08641	0.4
179.14253	0.5
180.10132	0.7
182.11714	0.9
186.12691	0.9
188.10654	0.5
188.14352	1.7
190.15797	0.6
196.09610	0.7
200.14362	0.7
202.15854	1.4
212.10739	0.4
214.15884	0.4
216.13829	0.5
218.11699	0.4
220.13274	0.6
223.14919	0.3
228.17406	0.4
230.11758	18.5
231.12082	0.4
232.13290	1.1
234.11130	0.7
234.14844	1.7
235.15700	0.6
236.16466	2.9
246.14964	0.8
248.16496	0.3
258.11316	0.4
262.17950	1.1
272.16455	0.9
272.20395	0.3
274.18051	2.9
276.12338	5.2
276.19479	0.6
286.17944	0.9
292.19077	1.0
294.13309	5.8
300.19571	1.7
318.20697	2.2
328.22760	5.2
332.14670	0.6
334.20145	0.6
346.20065	0.7
346.23795	3.9
348.21753	1.1
356.22217	1.0
374.23273	20.6
375.23706	0.4
390.22797	0.5
391.22922	0.4
392.17255	1.8
392.24298	55.9
393.24741	2.6
416.24329	0.5
434.25357	1.1
446.25464	0.6
456.18625	11.9
457.19034	0.7
464.26526	0.6
476.26614	0.4
494.20233	1.8
494.26685	0.5
518.27362	2.2
536.20923	0.5
536.28595	6.9
537.29065	0.4
554.29596	100.0
555.23633	0.5
555.30280	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	554.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
53.19106	3.1
55.05509	14.6
60.24934	3.9
67.05502	12.3
67.64729	3.5
69.03435	17.4
69.07066	29.9
71.05001	4.9
79.05492	4.5
81.03418	11.3
81.07052	23.3
83.08611	24.2
84.08155	11.8
85.02905	40.4
87.00813	17.2
91.05492	5.5
93.07037	6.5
95.08607	24.0
97.02888	9.8
97.10181	27.8
99.04440	4.6
99.08077	5.4
104.95050	4.4
105.01871	12.6
105.07005	8.2
107.08602	5.8
109.02872	18.8
109.10157	14.3
110.19485	3.3
110.81031	3.6
111.11720	14.2
119.08578	13.3
121.10115	13.8
123.11679	6.4
125.13285	6.2
127.03916	33.1
133.10173	7.7
135.11639	11.1
138.49821	4.1
139.11105	4.2
145.04924	7.9
146.06003	15.9
147.11743	6.9
151.08543	3.9
151.11089	3.5
151.14886	5.9
161.13280	7.3
162.02969	6.8
165.12833	4.5
181.27483	3.6
181.41302	4.0
192.06667	4.9
210.15134	4.2
213.04018	4.8
217.19556	24.3
231.04988	8.4
235.20552	33.5
253.21648	100.0
271.22684	66.5
289.23737	10.2
369.07486	5.0
393.22455	10.8
554.25476	5.3
555.27869	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	555.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65957	0.5
55.01873	3.2
55.05505	1.3
56.05029	3.0
57.05338	0.5
67.05486	2.1
68.05003	1.6
69.03429	8.5
69.62397	0.5
69.62722	2.0
70.06589	3.3
71.04961	1.4
79.05486	2.5
80.05018	4.9
81.03393	0.8
81.07024	2.2
81.93911	0.6
82.06588	4.7
83.01301	1.3
83.04956	1.4
83.07347	1.0
84.04454	0.7
84.07687	0.9
84.08141	11.8
85.06568	0.6
86.09696	0.7
91.05479	2.5
93.07019	2.7
94.06571	6.7
94.10295	0.5
95.02438	0.7
95.04939	1.3
95.08588	1.9
96.08105	2.2
97.06494	1.7
98.23384	1.1
99.02621	0.7
99.04454	9.2
103.05439	0.5
105.07037	3.1
106.06544	1.4
107.07331	1.0
107.08575	1.3
108.08083	1.7
109.06491	1.6
109.08906	0.9
110.09666	1.3
111.02594	0.7
111.08071	12.1
112.07597	1.1
113.00578	0.6
113.03473	0.8
117.07021	1.7
119.08557	1.7
120.08095	3.7
121.06484	1.9
122.09666	4.7
123.08068	3.1
123.10466	0.6
124.07571	1.4
124.11192	1.6
125.05988	5.6
125.09618	2.5
127.03912	23.4
127.05771	0.7
128.06174	1.0
129.10228	0.6
130.07707	0.7
130.63918	0.5
131.08492	0.8
132.08067	2.1
133.06450	0.7
133.08809	1.2
133.10127	0.8
134.09641	6.3
135.08032	1.6
135.10435	0.7
136.07520	1.5
136.08760	0.5
136.11192	2.5
137.04286	0.6
137.06003	3.2
137.09561	0.8
137.11923	0.5
138.09122	2.1
139.05717	0.6
139.07494	1.6
140.07071	1.0
141.03679	0.6
143.08569	1.4
144.08098	0.8
145.10107	1.8
146.09621	1.6
147.08041	1.0
147.10429	0.6
147.11598	0.7
148.07541	2.7
148.11159	0.8
149.08307	0.8
149.09480	0.9
150.09152	7.4
151.07527	1.2
151.08658	1.0
152.10704	5.5
153.03714	0.7
153.09122	1.3
154.12285	2.7
155.05220	2.2
156.06018	0.7
158.09570	1.1
160.11188	2.2
161.06094	0.6
162.02979	5.0
162.09129	1.5
162.12807	5.8
164.10719	1.9
164.14328	0.7
165.05476	2.2
166.08733	0.8
167.07011	2.2
168.10185	3.3
169.08563	0.9
171.04774	1.3
171.08029	1.1
172.11142	0.7
173.09607	1.5
174.09048	0.7
174.12793	1.5
175.11230	1.1
175.13521	0.7
176.10658	1.6
178.12273	1.8
179.10677	0.9
180.04083	1.8
180.08667	1.1
180.10176	10.6
181.08562	1.6
182.11763	15.5
186.11244	0.7
186.12737	1.0
188.10689	2.0
188.14337	0.8
189.09068	1.3
190.12245	6.7
191.06955	1.3
192.13794	1.4
193.08569	0.6
195.07703	0.8
196.07855	0.7
198.09399	0.6
198.11226	9.7
199.04289	1.3
199.07727	0.7
200.10748	1.7
200.12787	15.7
202.12370	1.3
203.10632	0.8
204.13814	0.7
205.08521	0.9
205.12190	1.2
206.11789	1.3
207.06584	0.7
208.13304	1.2
214.12320	0.8
216.13785	1.7
217.08580	1.6
228.13899	0.7
231.10312	0.9
232.13310	1.8
242.08418	5.3
242.15268	1.1
247.09679	0.7
247.11920	2.0
249.11237	6.6
250.14378	1.4
260.16428	2.8
278.17511	1.7
288.15912	1.1
290.17477	0.9
293.12436	2.8
306.17020	1.0
318.16956	0.9
322.14743	2.9
340.15747	2.0
342.17160	1.0
370.12949	1.0
380.01205	0.7
393.22473	5.0
416.20682	9.2
434.21725	85.9
435.22336	3.2
450.19257	1.5
458.01971	0.6
468.20566	3.2
537.22278	1.3
555.23639	100.0
556.23834	3.9
569.73993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93775	0.7
55.01946	2.9
55.05573	1.0
56.05102	2.2
56.45568	0.7
67.05595	1.0
68.05090	1.2
69.03109	1.4
69.03513	6.3
69.43452	3.3
70.06677	2.8
71.05070	1.8
79.05186	0.8
79.05591	3.2
80.05122	3.1
81.03499	0.9
81.07140	1.6
82.06678	3.8
84.08249	6.6
85.03020	1.0
85.06625	1.1
91.05582	2.2
93.07169	2.8
94.06679	5.2
95.05058	1.4
95.08694	1.7
96.07671	0.7
96.08237	2.6
97.02966	0.8
97.06641	2.0
99.04569	7.2
105.07157	3.0
106.06683	2.5
107.05051	1.1
107.08723	2.1
108.08147	1.4
110.09750	1.0
111.08096	5.4
112.07645	1.2
113.06143	0.7
119.08655	1.6
120.07474	1.3
120.08237	3.7
121.06621	1.4
122.09808	4.0
123.08184	2.2
124.11324	1.2
125.05974	5.3
125.09718	1.5
127.03918	21.4
128.06294	0.9
131.19014	0.8
132.08206	1.3
133.08987	1.3
134.09659	5.5
135.08163	1.8
136.07629	1.6
136.11337	3.4
137.06099	3.0
138.09230	1.3
139.07639	1.3
143.08665	1.7
144.08127	0.9
145.10246	1.6
146.09711	1.7
147.08141	1.4
148.07716	2.4
148.11250	1.6
150.09135	7.1
151.04039	1.3
152.10727	4.9
154.12411	1.8
155.05350	1.6
158.09743	1.8
160.11357	1.6
162.09244	1.3
162.12788	6.0
163.72330	0.7
164.10875	1.6
164.14455	0.9
165.05586	0.9
167.07164	0.8
168.10362	3.3
172.11301	1.2
174.12875	1.5
176.10825	1.2
178.12309	0.9
179.10857	1.2
180.10194	10.9
182.11760	13.3
184.11458	1.1
186.12852	1.0
188.10854	1.1
188.14497	1.0
190.12294	4.8
198.11278	9.7
200.10992	1.7
200.12810	14.4
202.12372	0.8
203.10883	0.8
204.10350	0.9
205.12422	2.3
206.11943	0.9
206.15561	0.9
207.06750	0.8
208.13443	0.9
216.13896	0.9
220.13460	1.1
231.10330	1.0
232.13457	1.9
233.14093	0.9
234.15213	0.9
242.08371	5.7
242.15581	1.2
246.14923	0.9
249.11174	6.3
250.14587	2.7
260.16534	1.5
261.17368	1.0
276.16116	1.8
278.17563	1.9
290.17535	1.0
304.15546	1.1
306.16971	1.3
322.14828	2.0
340.15881	1.3
342.17267	0.8
375.23471	0.8
392.24326	1.2
393.24744	3.0
398.19473	1.2
406.49213	1.0
416.20721	10.1
417.17719	2.3
434.21735	100.0
435.22061	4.0
450.19305	1.1
468.20728	3.7
511.24731	0.9
537.23236	1.2
555.23486	96.7
556.23883	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	555.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.4
53.03925	0.9
55.01867	0.7
59.07135	0.3
63.02373	0.3
65.03925	1.0
67.05480	0.6
67.82267	0.4
68.99755	0.5
69.03394	0.4
70.06561	1.6
75.94814	0.3
77.03925	0.9
78.04693	0.6
79.05490	6.9
81.07050	0.7
83.01338	2.3
85.02908	0.4
86.03881	0.3
91.05477	11.8
93.07039	1.0
95.04967	3.7
95.08560	0.4
102.04696	0.7
103.05457	5.5
105.03354	0.5
105.04531	2.1
105.07027	15.8
106.04139	0.6
107.04952	2.2
108.05730	1.1
109.06522	2.2
115.05452	3.8
117.06992	1.4
118.04153	0.3
119.04903	1.4
119.08546	0.9
120.05714	2.9
120.08115	0.7
121.06499	22.1
123.04408	0.6
123.08060	4.5
125.05997	1.8
129.07004	1.0
130.04124	5.1
131.04932	0.5
132.05661	1.1
133.06477	3.4
135.04405	14.3
135.08052	12.9
136.05150	1.1
137.05965	11.4
139.07539	3.9
143.04890	0.6
145.06474	14.2
147.04378	0.4
147.08043	3.5
148.05173	0.8
149.05942	1.3
149.07098	1.3
150.06750	84.0
151.07538	31.8
153.06905	0.3
153.09052	0.3
157.06514	0.4
158.07210	0.8
159.04382	0.3
159.08040	0.5
160.05188	1.5
161.05969	60.8
162.06448	0.7
163.07539	4.8
164.08260	0.4
165.09105	100.0
166.07875	0.5
166.09431	1.4
167.08575	0.6
171.08101	0.7
173.05907	0.4
173.07169	0.5
175.07533	62.2
176.08156	1.9
177.09068	0.6
179.08595	0.7
181.06458	0.8
182.07201	0.5
183.08046	2.1
184.08818	1.1
185.06017	0.4
185.09566	0.7
186.06750	0.4
187.07536	0.5
188.08298	0.8
191.08597	0.8
193.09888	0.3
194.07269	1.2
195.08043	3.3
196.08847	1.3
197.05853	0.5
197.09595	0.9
198.06773	0.4
199.07430	0.4
199.11064	0.4
201.09172	0.9
207.08032	0.7
208.08791	0.8
209.09584	3.1
210.06810	0.8
210.10388	0.7
211.07541	4.8
211.11226	0.7
212.08223	2.5
213.09123	2.1
215.10593	0.5
215.59805	0.4
220.08737	0.3
221.09735	0.6
223.07527	1.3
223.11131	0.5
224.08308	4.4
225.09088	2.9
226.06299	0.7
226.09804	2.7
227.07089	0.7
227.10672	1.8
228.07768	1.0
229.08534	0.8
235.07498	1.8
236.08226	0.7
237.09044	3.1
238.06081	0.4
238.09834	1.6
239.06987	1.4
239.10623	4.1
240.07851	1.4
240.11482	0.6
241.08554	3.2
241.12248	1.6
243.10139	3.1
249.09064	0.7
250.09872	0.6
251.07104	1.4
251.10718	1.2
252.07727	1.7
252.11476	0.6
253.08571	7.0
253.11491	0.5
253.12407	0.7
254.09297	6.3
255.10133	18.7
256.10925	10.6
257.11676	0.7
265.08646	0.7
266.09280	0.7
267.10138	19.9
267.13635	1.0
268.10907	6.2
269.08191	2.9
269.11752	16.7
270.08942	0.4
270.12216	0.6
271.09827	1.6
271.13315	1.4
279.10071	0.5
280.10968	0.5
281.11734	0.8
283.09702	1.2
284.10416	4.0
285.11148	2.8
299.12769	70.7
300.13223	2.0
301.14438	2.1
306.12698	0.5
325.12256	0.8
327.10132	0.6
328.10938	0.6
329.11673	0.7
341.11624	0.6
342.12479	0.7
343.13412	2.2
344.14294	0.7
349.84677	0.4
354.12476	1.5
355.09561	0.5
355.13391	1.5
356.10361	0.4
356.14206	0.8
357.11096	1.1
357.15012	0.8
358.12009	1.2
359.12738	7.7
360.13388	0.5
369.10880	0.4
369.15112	0.5
370.12146	1.2
371.12692	4.0
372.13556	14.4
373.10654	0.5
373.14392	3.5
375.12192	0.7
384.13315	0.5
385.14334	6.4
386.15106	6.4
387.12323	1.2
388.13220	1.7
389.13657	0.6
391.15216	0.4
401.13791	2.0
402.14798	2.4
403.15295	14.6
404.15955	0.9
417.16959	8.8
457.20099	2.0
493.20111	0.6
523.21338	3.9
524.21936	1.6
537.22705	14.4
555.23792	11.2
555.30286	0.7
556.24127	1.0
584.27496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2382
Annotation	Citrumarin A
Peak:m/z	Relative Intensity
69.93371	3.1
69.93698	3.2
79.05476	7.3
80.38596	1.4
85.02909	2.1
91.05489	10.0
95.04992	2.0
103.05472	5.9
105.07057	14.3
107.04983	2.1
121.06503	16.4
123.08049	5.5
130.04141	2.1
133.06456	2.3
135.04422	16.5
135.08043	7.0
136.05186	1.6
137.05983	4.5
139.07530	3.9
145.06528	7.7
150.06769	79.7
151.07561	25.2
161.05986	28.4
161.07304	2.1
163.07491	3.2
165.09123	88.5
167.08566	2.3
171.08041	1.8
175.07565	23.5
181.06586	2.2
182.07303	1.7
183.08061	6.4
185.06035	1.8
193.10211	1.9
194.07201	2.5
195.08043	5.3
196.08789	4.1
209.09674	3.8
211.07559	9.7
211.11151	2.2
212.08362	7.5
213.09071	2.7
222.06656	2.6
223.07495	2.7
224.08305	4.0
225.09116	5.1
227.07083	2.5
227.10669	12.5
228.07729	3.4
232.38240	1.7
237.09084	5.9
238.09923	2.6
239.06975	4.6
239.10690	3.5
240.07791	3.3
241.08611	19.3
241.12373	2.1
243.10161	7.7
251.16982	1.6
253.08612	6.9
254.09433	10.6
255.10172	100.0
256.10938	66.8
256.13669	2.9
257.11459	2.2
267.10202	14.5
268.10776	2.8
269.07639	1.5
269.08618	1.8
269.11743	30.4
271.09631	9.6
271.12869	2.8
285.11206	2.3
299.12836	36.6
300.13144	1.6
327.14111	1.6
329.11624	5.5
341.11661	3.4
342.12521	2.0
343.13342	6.8
344.13904	3.0
354.12494	2.6
355.13104	3.5
356.14124	2.5
357.11136	4.8
358.12213	2.0
359.12784	57.2
360.13184	3.7
369.14923	2.5
370.11877	5.5
371.12769	17.5
372.13571	66.5
373.14545	7.7
375.12180	4.9
384.13544	1.8
385.14349	22.1
386.14856	5.0
387.12262	4.7
388.13028	3.2
401.13779	3.8
402.14511	6.4
403.10129	2.3
403.15213	14.4
417.17059	24.0
463.32993	1.7
493.19873	8.2
523.21228	92.0
524.21893	8.1
537.22137	2.2
555.16125	2.9
555.23883	38.7
556.24310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.9
55.01847	0.8
65.03909	0.7
65.04222	0.5
67.79530	0.4
68.99730	0.4
69.03389	0.5
70.06543	1.4
70.53502	0.6
71.18861	0.4
74.83399	0.5
77.56453	0.4
78.04703	0.5
79.05498	4.1
79.73663	0.4
85.02856	0.7
88.64236	0.4
91.05482	7.5
93.07003	0.9
95.04977	2.9
99.69418	0.4
103.05453	3.5
105.02767	0.4
105.03387	4.0
105.04476	1.1
105.07029	11.2
107.04897	1.1
108.05727	0.7
109.06484	1.0
111.04392	0.5
115.05417	1.3
117.06953	0.9
119.04919	0.7
119.08553	0.6
120.05653	1.3
121.06506	16.0
123.04418	0.4
123.08057	3.6
127.07487	0.4
130.04063	1.4
131.04831	0.5
133.06438	1.5
135.04417	11.3
135.08070	5.4
136.05151	0.7
137.05989	3.6
139.07568	2.5
141.07010	0.7
145.06487	5.6
147.07986	1.3
149.05922	1.7
149.07057	0.8
150.06755	50.1
151.07547	19.1
152.07857	0.4
153.06911	0.7
155.08485	1.2
158.07242	0.5
159.08054	0.8
161.05977	12.9
163.07506	1.1
164.08261	0.8
165.09117	49.7
166.07741	1.2
166.09402	1.2
167.07097	0.7
167.08511	2.3
169.06487	1.0
171.08035	2.7
175.07549	14.2
176.08286	0.6
177.09143	0.6
178.07793	1.1
179.08574	2.0
179.10628	0.5
181.06462	2.1
181.10074	0.9
182.07207	1.4
183.08040	3.5
184.08783	1.0
185.05934	1.0
185.09622	0.5
187.07556	0.7
191.06956	1.8
191.08527	0.7
194.07101	2.0
195.08061	4.5
196.08780	3.8
197.05943	1.7
197.09621	2.4
198.06729	1.3
199.11104	1.2
205.06456	0.5
205.08371	0.5
207.08028	0.8
208.08841	1.5
209.09595	4.3
210.06787	1.3
210.10030	0.4
211.07552	4.2
211.11163	1.5
212.08296	8.7
213.05435	0.6
213.09065	1.7
215.10625	0.5
222.06773	0.9
223.07487	1.9
224.08305	4.6
225.05568	0.4
225.09122	3.0
226.09877	1.3
227.07224	0.8
227.10660	19.9
228.07777	1.5
228.11171	0.7
231.42087	0.4
236.08203	0.8
237.09081	2.8
238.09950	2.6
239.07010	1.9
239.10625	3.1
240.07838	2.8
240.11476	1.2
241.08594	14.9
241.12294	1.3
242.09084	0.8
243.10115	2.8
251.06920	0.6
251.10776	0.9
252.07796	0.8
252.11362	0.7
253.08592	3.6
253.12126	0.7
254.09401	4.6
255.10153	100.0
256.10916	43.4
257.11362	1.3
266.09335	0.7
267.10132	9.4
268.10898	1.3
269.08139	1.7
269.11710	14.9
270.12387	0.6
271.09616	5.9
271.13257	1.9
281.11691	1.1
283.09641	1.3
284.10367	1.8
287.12802	0.5
291.10492	0.6
299.12790	15.9
300.13556	0.7
301.14398	0.6
309.11240	0.9
315.10297	0.6
316.10779	0.6
317.11716	0.6
328.10803	0.5
329.11728	9.2
329.15567	0.4
330.12381	1.1
331.13220	1.1
341.11725	0.8
342.12589	0.6
343.13321	6.0
344.14081	4.2
354.12411	0.5
355.13416	1.2
356.14047	1.1
357.11237	1.7
357.15057	0.6
358.11807	2.5
359.12769	28.5
360.13330	1.0
369.15048	0.9
370.12051	0.8
371.12778	6.1
371.17163	0.7
372.13562	19.6
373.10223	0.5
373.14413	2.9
375.12253	1.4
385.14401	5.9
386.15112	2.0
387.12054	1.1
389.13751	1.3
391.15460	0.6
401.13974	1.6
402.14606	2.3
403.15414	1.7
404.15884	0.5
417.16910	6.6
491.18503	0.5
493.20508	3.1
495.21652	0.8
507.22247	0.6
509.19739	1.2
523.21161	27.7
524.21680	3.6
527.24426	1.1
537.23016	2.7
540.21228	0.7
555.23828	21.4
556.24408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
65.03947	2.2
70.06589	3.4
77.03937	1.3
79.05490	6.4
83.01239	1.0
84.08121	1.3
85.02890	1.3
90.42446	1.1
91.05479	21.2
93.07028	2.2
95.04946	4.6
96.86121	0.9
103.05452	6.5
105.03408	2.2
105.04523	2.4
105.07033	19.2
106.04153	1.3
107.04955	3.4
107.08599	1.2
108.05739	2.0
109.06509	3.4
115.05445	3.4
117.07014	1.9
118.04173	2.7
119.04935	1.7
119.08558	1.3
120.05691	1.8
120.08058	0.9
121.02839	1.7
121.06502	34.5
123.08061	6.9
125.06007	1.5
130.04103	5.6
131.04915	10.1
133.06487	5.7
135.04420	30.5
135.05441	1.6
135.08057	13.3
137.05968	15.4
139.07558	5.7
145.06468	17.7
146.03616	2.3
147.04448	1.2
147.08012	4.2
149.05986	11.3
149.07053	1.7
150.06758	49.2
151.07539	46.5
153.06891	1.1
155.08519	1.1
160.05148	1.2
161.05975	90.3
162.06476	1.8
163.07559	5.1
165.06970	4.0
165.09116	55.8
167.08574	1.8
171.08162	2.2
173.09592	1.1
175.07542	66.3
176.08188	2.9
177.05441	1.2
177.09056	1.1
179.08572	2.9
180.09283	2.3
181.06473	3.3
181.10092	1.1
182.07271	3.8
183.08089	4.2
184.08899	1.7
185.09627	1.2
189.08965	1.4
191.08676	1.1
193.06381	1.2
194.07346	1.8
195.08066	6.8
195.11612	2.0
196.08876	3.3
197.05969	1.7
197.09654	6.7
201.09111	2.2
207.08011	1.7
208.08865	1.5
209.06009	1.2
209.09590	6.1
210.06810	3.7
210.10373	1.4
211.07524	7.6
211.11180	1.8
212.08315	3.7
213.09113	3.3
221.05917	1.8
221.09583	1.1
222.06721	1.7
223.07516	2.2
223.11177	3.9
224.08321	9.2
225.05644	1.1
225.09094	14.8
226.09854	6.6
227.06984	1.5
227.10670	3.2
235.07619	3.3
236.08214	1.3
237.09085	5.1
238.06238	1.5
238.09885	2.3
239.06960	3.3
239.10616	8.4
240.07834	3.2
240.11493	1.9
241.08607	4.6
241.12267	5.9
242.09332	2.3
243.10219	2.8
247.13429	1.0
251.07028	1.1
251.10670	2.3
252.07892	2.0
252.11365	1.6
253.08621	13.7
254.09349	8.4
255.10152	41.2
256.10953	9.2
257.11783	3.9
267.10153	23.5
267.13382	1.5
268.10873	7.4
269.08157	4.8
269.11725	29.5
270.12451	5.7
275.12582	1.1
284.10474	6.0
285.11209	26.0
285.14377	1.3
298.12421	1.1
299.12784	100.0
300.13177	2.6
301.14383	4.3
306.16473	1.1
312.11414	1.0
328.10944	1.3
329.11676	4.1
342.12445	1.1
343.13202	2.7
344.10257	1.4
345.14877	1.8
356.14020	1.2
357.11002	1.9
358.11893	1.9
359.12592	6.2
370.11826	2.3
371.12878	4.4
372.13550	12.5
373.14417	5.1
385.14304	8.1
386.15131	6.9
387.11838	1.2
388.12976	2.6
401.13812	1.1
402.14597	4.2
403.14853	9.3
403.18329	2.0
403.19891	1.7
404.16205	1.2
417.16895	9.9
457.19995	4.5
457.26022	1.0
493.19952	1.6
495.21512	3.6
523.21228	10.0
524.21820	3.9
527.24158	4.9
537.22711	14.9
540.21362	1.1
555.23608	26.9
555.31592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
57.07074	3.3
59.69847	0.8
62.27231	0.7
65.03928	1.0
65.10822	0.8
67.05498	1.5
69.14985	5.6
70.00401	0.8
71.08628	2.2
77.03925	1.0
79.05483	3.3
80.51602	0.7
81.03421	1.4
81.07060	1.5
85.10165	2.0
88.13079	0.8
91.05485	8.9
95.08620	2.4
98.98489	8.6
103.05466	2.4
105.07040	8.0
107.04966	1.7
109.06497	1.8
109.10161	1.1
115.05449	0.9
115.62752	0.8
117.06983	1.0
119.06069	1.4
120.05705	1.3
121.06513	18.9
123.08054	3.2
131.04936	2.1
133.06503	1.3
135.04410	7.8
135.08064	7.4
137.05989	2.7
139.07547	2.1
145.06461	4.1
149.05971	1.6
150.06764	32.4
151.07561	15.6
155.01080	12.9
155.08546	1.0
161.05992	15.4
163.07565	1.5
165.06987	2.0
165.09119	25.4
167.08580	1.9
169.06427	1.2
171.08018	1.1
175.07553	11.1
179.08578	1.3
181.06522	1.5
182.07349	1.1
183.08069	3.3
184.08873	1.5
185.09602	1.0
187.07597	1.1
194.07327	2.2
195.08035	4.6
196.08855	2.4
197.05978	2.0
197.09605	3.0
201.09265	1.2
207.08015	1.5
208.08646	0.8
209.09618	4.6
210.06842	1.4
211.07515	5.6
211.11058	1.5
212.08284	8.2
213.09082	3.0
222.06728	1.1
223.07539	2.2
224.08389	4.1
225.05595	0.9
225.09175	4.1
226.06161	1.0
227.10690	18.1
237.09103	3.8
238.09894	2.3
239.06992	2.8
239.10716	4.3
239.23759	1.0
240.07745	3.2
240.11436	1.6
241.08598	14.4
243.10196	3.0
251.10760	1.2
252.07938	1.2
253.08690	4.3
254.09384	6.6
254.12927	0.9
255.10175	100.0
256.10941	44.5
256.13681	1.8
267.10068	11.4
268.10974	1.8
269.08527	1.6
269.11755	15.1
271.09601	2.6
282.10260	0.9
283.09637	6.2
284.10443	1.0
299.12811	15.3
301.14575	1.6
313.27396	10.0
316.10931	2.5
317.06262	1.1
324.81882	0.9
327.10056	1.6
327.13513	1.0
328.11017	1.1
329.11707	6.2
330.12506	1.3
341.11896	1.2
342.12729	1.6
343.13202	4.1
344.10364	3.5
344.13904	1.5
353.12201	1.1
354.12616	1.1
355.13251	2.0
356.10236	1.3
356.14175	2.1
357.11014	1.9
358.11948	3.9
359.12781	29.5
370.11966	2.0
371.12863	10.2
372.13602	31.4
372.18286	1.7
373.10876	0.9
373.14404	9.5
375.12228	2.5
385.14441	10.2
386.15186	4.5
387.12106	2.6
388.12994	1.2
391.15131	1.8
393.23981	1.1
401.13733	2.0
402.14566	3.9
403.15396	6.3
417.17081	9.8
491.18561	0.9
493.21121	6.2
523.21216	47.0
524.21912	4.5
527.24176	2.2
537.22858	3.0
540.21130	1.7
555.23651	27.9
556.24084	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	555.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01873	1.4
55.05512	3.4
57.03437	1.1
57.07070	0.8
59.04992	0.5
61.02921	1.7
65.03945	0.6
67.05508	4.4
68.72075	0.6
68.99786	0.7
69.03431	18.8
69.07059	3.3
70.06578	2.7
71.04987	2.1
73.02917	0.9
77.03931	0.9
79.05495	9.4
81.03425	6.1
81.07059	13.7
83.04991	4.4
83.08602	1.2
85.02901	6.2
85.06545	1.5
87.00833	1.0
91.03945	1.4
91.05478	8.3
93.07037	5.1
95.04989	3.2
95.08613	3.9
97.02900	11.3
97.06522	2.0
99.04465	2.5
99.08095	0.6
103.05460	0.5
105.04509	0.5
105.07037	8.2
107.04956	7.3
107.08595	27.9
109.02884	14.1
109.03641	0.8
109.06520	3.8
109.10170	7.8
111.04431	1.6
111.08072	0.7
115.03960	1.2
115.05431	1.7
117.07027	2.0
119.06053	0.8
119.08586	3.9
121.06478	3.9
121.10155	12.6
122.07307	4.8
123.08100	1.5
123.11700	1.0
124.15679	0.5
127.03917	12.7
128.04340	0.5
129.05487	13.8
129.06984	0.7
131.08553	3.5
131.69284	0.6
133.10130	73.6
134.10461	1.2
135.08067	9.8
135.11694	1.4
137.06035	1.1
137.09619	47.0
139.03883	2.1
139.11179	0.7
143.08568	1.4
145.04953	8.5
145.10097	1.3
147.08066	0.9
147.11700	2.9
148.52171	0.6
149.09618	2.8
149.13269	8.2
151.07564	0.7
151.11188	3.7
153.05501	0.6
157.04945	1.3
158.10870	1.3
159.02931	0.5
161.09634	1.3
163.14864	2.5
165.12842	0.7
173.13254	5.8
177.16458	1.0
181.04970	1.1
185.04482	6.7
191.14308	100.0
192.14639	1.8
201.12741	0.6
203.05507	3.5
209.15393	5.2
211.11194	0.6
232.16978	0.9
253.21565	1.2
254.21928	1.4
255.13698	0.6
272.10431	3.1
283.08218	0.6
290.24030	1.0
305.08450	1.1
307.26263	0.6
311.07660	3.3
329.08685	7.0
388.21457	1.0
388.71140	0.6
394.13162	0.8
519.22070	0.8
537.23444	0.7
555.21155	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	555.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61282	0.5
53.03934	0.9
55.05507	3.7
57.03435	7.6
57.07072	28.3
60.84969	0.6
62.86011	0.5
67.05500	8.4
67.05829	1.0
69.07068	6.7
69.13551	2.5
71.04975	0.5
71.08630	18.6
79.05468	0.7
81.03415	8.0
81.07049	11.3
81.07503	0.8
83.08619	6.9
84.08148	0.7
85.02908	0.5
85.10185	11.8
89.06003	0.6
95.08604	17.5
97.10142	2.6
97.47188	0.5
98.98464	76.4
99.04458	1.8
99.11758	0.8
109.02869	5.0
109.10164	7.9
111.11722	0.9
116.99496	0.8
123.11681	3.3
124.35911	0.5
125.00002	0.8
127.03950	0.7
137.13246	1.3
144.43065	0.6
151.14795	0.6
155.01036	100.0
156.01398	0.5
162.02989	0.6
165.16385	0.6
174.27881	0.6
176.92422	1.8
194.93452	2.7
196.03763	0.7
198.09727	0.5
221.22685	0.7
232.94913	0.8
239.23666	10.6
243.02698	1.2
250.96017	0.7
299.05267	0.9
313.27353	65.5
314.27713	2.5
317.06296	7.8
383.27884	1.6
393.24030	7.7
401.29105	5.1
421.14178	1.0
439.15338	1.8
495.17960	3.8
537.18683	1.5
537.28064	3.7
555.19708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2931
Annotation	Acrovestone
Peak:m/z	Relative Intensity
51.89794	0.8
55.05508	1.3
57.07071	5.5
66.47224	0.8
67.05489	4.3
69.07076	2.0
69.59150	3.0
71.08634	3.1
79.05509	1.9
80.05881	0.8
81.03428	1.6
81.07054	5.1
83.08620	2.6
85.10190	2.4
91.05474	1.7
93.07066	1.8
95.08586	4.6
98.23434	1.7
98.97588	1.3
98.98470	12.2
105.07027	1.6
107.08581	1.2
109.02856	1.0
109.10160	3.7
116.98603	1.4
119.08542	0.9
121.10173	1.2
131.00127	0.9
131.08514	0.9
137.70972	0.9
147.11676	1.1
155.01039	18.1
169.10269	1.2
171.11760	0.8
239.23668	2.3
313.27371	12.0
317.06348	1.8
319.19595	0.9
337.20618	1.1
372.23944	1.0
375.05655	1.0
393.23953	1.9
401.28986	1.2
469.80533	0.9
523.88342	1.0
555.29272	100.0
556.29462	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	555.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74860	2.0
52.06278	2.0
54.89587	2.2
56.63076	2.3
57.03439	4.5
57.07074	19.1
67.05506	7.4
69.07059	6.5
69.64413	4.7
69.64738	2.8
70.31706	2.1
71.08629	15.8
81.03411	3.8
81.07063	9.0
83.08618	7.2
84.08138	3.9
85.10196	7.1
95.08606	10.7
97.10179	3.6
98.67059	2.2
98.98467	47.0
109.02866	4.5
109.10171	5.7
123.11796	2.4
126.34608	2.2
149.64680	2.4
155.01048	57.6
158.12701	2.4
176.92387	3.0
194.93396	4.3
198.97491	7.7
208.20335	2.3
239.23715	4.2
241.24098	2.5
313.27371	41.7
317.06561	4.9
393.22897	5.6
401.28351	3.4
495.18207	6.4
555.29224	100.0
556.29395	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	555.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.7
69.69144	0.7
69.69521	0.6
70.06598	1.1
79.05515	0.5
81.03444	0.5
81.07081	0.7
86.96795	0.4
89.86948	0.4
95.04946	0.5
105.07056	0.5
107.08562	0.6
109.10164	0.4
119.08582	0.9
123.08157	0.3
131.08479	0.4
133.95422	0.4
149.02394	0.7
181.10039	0.4
191.23238	0.4
193.04967	0.6
203.05342	0.8
237.07550	0.8
259.07904	0.7
275.20148	0.5
299.04404	0.4
393.26233	0.8
517.69891	0.4
537.30316	0.7
555.31335	100.0
556.31683	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	555.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41029	0.3
64.01986	0.3
84.33508	0.3
93.58652	0.3
97.09057	0.3
98.22626	0.8
130.25667	0.3
196.98991	0.3
215.03438	0.3
229.27629	0.3
309.79575	0.3
317.08994	0.4
393.22510	0.6
437.32449	1.2
555.28735	3.8
555.35052	100.0
556.35297	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44505	0.2
56.15373	0.2
57.07060	0.5
57.65353	0.2
58.04890	0.2
61.62613	0.2
71.08614	0.5
71.46648	0.2
75.33356	0.2
86.36640	0.2
89.06029	1.7
117.09167	0.2
124.93820	0.5
133.08615	0.6
151.04118	0.2
198.97469	2.3
201.02205	0.2
335.61893	0.2
463.22156	0.4
481.34424	0.4
519.20691	0.4
528.62561	0.2
555.38660	100.0
556.38898	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	556.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01868	5.5
55.10166	1.0
57.03434	2.5
61.02916	4.4
68.99780	2.2
69.03435	17.3
69.64591	3.5
70.06589	2.0
71.04997	3.2
73.02907	3.5
79.05508	1.1
81.03424	17.6
81.07057	1.2
85.02909	38.6
87.00824	13.4
91.03946	1.1
91.05485	3.8
93.07009	1.1
95.04968	1.7
97.02899	18.3
97.03502	1.7
99.04447	6.5
103.05468	4.0
105.01875	9.9
105.07045	2.3
107.04955	14.0
109.02880	14.6
109.06557	1.1
111.04449	1.4
115.03935	1.9
117.01884	1.5
119.04961	1.5
121.06498	3.8
123.04437	6.4
127.03918	30.5
129.01852	2.8
131.04947	5.9
133.10123	2.7
134.10506	1.0
135.04416	13.8
135.08031	1.9
137.02287	0.9
137.05980	14.7
138.06755	2.2
139.07590	4.8
145.03960	1.5
145.04977	13.6
147.02885	2.1
147.04398	1.3
149.06006	9.8
150.06882	1.1
151.07530	7.0
159.02919	12.2
159.04262	1.9
161.06059	1.0
163.07570	1.9
164.08342	5.6
169.38206	0.9
175.07536	1.5
175.11096	1.8
177.05493	1.0
191.14372	2.1
192.14670	2.6
195.08086	1.4
201.09019	0.9
211.07613	0.8
212.08308	2.9
213.09161	1.6
223.07541	1.9
224.08376	1.3
227.07079	1.4
227.10614	2.0
231.05008	6.4
240.07881	1.3
241.08549	1.9
242.09442	2.0
243.06398	1.1
251.10692	1.3
255.10248	2.7
257.07965	1.2
258.08795	2.2
259.09555	1.0
271.09702	1.1
273.11221	100.0
274.11591	2.8
282.08807	1.1
283.09634	4.9
285.11227	8.8
295.09778	2.7
297.11206	17.8
307.09726	1.6
309.11124	2.2
311.12628	1.4
315.12292	13.4
339.12286	5.9
345.11545	1.1
363.12317	4.6
381.13400	10.2
467.12918	1.5
485.14423	3.6
503.15482	1.5
508.36249	0.9
556.27161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
51.12797	0.6
53.03950	1.1
55.01868	4.2
57.03421	0.9
60.04504	0.5
61.02929	0.6
65.03943	2.3
66.04732	0.8
67.05503	1.0
67.23026	0.5
69.03438	4.5
69.30562	1.4
69.30949	1.1
70.06592	5.0
71.04999	0.9
72.08145	0.7
73.02927	0.9
77.03927	1.4
79.05490	5.5
79.51030	0.6
80.05028	0.9
81.03422	1.6
81.07082	1.7
83.04960	0.6
84.08144	1.6
85.02910	9.2
87.04446	0.9
91.05482	32.5
93.07043	2.6
94.04184	1.6
94.06547	0.9
95.04960	4.7
95.08598	1.1
96.08139	3.4
97.02858	3.2
98.06046	1.0
103.05469	44.8
105.03404	7.0
105.04515	1.5
105.07030	24.9
105.07735	1.3
107.04949	4.1
107.08624	0.9
108.05732	1.4
109.02921	0.9
109.06514	8.4
115.05461	5.2
117.07043	1.3
118.04160	1.3
119.04944	49.8
119.08616	1.2
120.08103	1.4
121.06495	6.2
122.03645	4.4
123.04440	1.5
123.08090	3.7
125.05960	0.8
126.05535	1.2
127.03924	1.9
128.06235	1.0
129.06996	4.0
130.04167	1.2
131.04930	100.0
132.05763	0.7
133.02850	7.8
133.06491	21.8
134.09674	1.9
135.04411	2.1
135.08047	2.4
135.10442	0.9
136.05232	1.4
136.11224	1.7
137.05977	93.7
138.06360	0.8
143.04964	1.2
143.06042	2.9
144.05672	1.2
145.04926	1.1
145.06506	2.5
146.03587	1.0
146.07291	0.9
147.04396	21.2
147.08032	2.7
149.05997	6.6
150.06686	1.0
151.03923	2.4
151.07541	24.7
153.05461	1.0
153.09009	1.0
157.06514	2.8
159.08080	3.5
160.05200	2.6
161.05978	84.8
162.06747	7.8
163.07541	56.2
164.07878	0.9
165.05472	5.0
167.07062	0.9
167.11861	1.1
172.05186	1.9
173.06003	1.3
174.06755	1.0
175.07549	26.3
177.05534	0.7
179.07039	22.5
181.06404	0.8
182.11775	1.9
185.05989	0.9
187.07545	19.0
189.09087	4.9
190.06264	0.7
191.08582	1.9
193.08655	4.1
195.11427	0.9
198.11217	0.9
199.07593	0.9
203.08563	1.6
205.06697	1.0
205.08595	12.9
217.08563	5.1
218.11852	0.8
219.08124	4.7
219.10010	1.2
231.08078	2.4
232.11076	1.1
232.13321	17.6
234.14832	0.9
235.07536	1.1
235.09656	4.4
236.08223	0.8
247.07507	2.0
248.08278	1.4
249.09148	0.6
251.10683	4.3
255.06483	0.7
259.07507	1.7
260.08334	0.8
261.08801	0.9
263.10583	2.1
265.08563	0.7
269.11710	1.1
270.08768	0.9
271.09723	0.8
273.11212	3.0
276.07840	1.1
277.08630	0.7
278.13831	3.3
279.10110	7.1
280.10916	0.7
284.85800	0.6
291.10101	6.8
292.10654	0.8
296.10434	1.7
296.14938	5.6
297.11313	1.7
309.11148	9.5
311.12762	20.0
323.12781	7.6
327.12241	0.9
329.13785	4.9
334.16364	2.0
341.13828	12.4
359.14825	2.8
376.24567	1.2
392.24231	2.0
393.24576	2.5
394.18646	7.0
394.25278	4.7
436.23288	0.8
458.20175	5.9
476.94623	0.7
510.31830	0.7
555.29663	1.9
556.23193	2.4
556.30377	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01879	0.7
56.64414	0.2
57.03447	1.7
57.03682	0.4
61.02927	2.4
63.72725	0.3
65.03960	0.3
66.77496	0.3
68.99787	0.9
69.03428	5.5
69.31928	0.3
69.41267	1.3
70.06589	0.7
71.04991	0.4
71.39232	0.3
73.02917	1.0
77.03934	0.3
79.05492	2.7
79.63183	0.2
81.03407	2.2
81.07056	1.8
83.01349	0.3
85.02904	27.6
86.09698	0.3
87.04450	0.5
91.03960	1.3
91.05469	4.2
92.07690	0.2
93.07068	0.4
95.04978	0.7
97.02257	0.4
97.02890	7.5
99.04472	1.2
103.03970	0.5
103.05464	1.9
103.15845	0.2
105.07027	69.1
106.07366	1.0
107.04955	0.4
109.02886	1.7
109.06516	3.3
115.03962	0.3
119.04932	1.0
120.08099	0.4
123.04433	2.9
127.03908	7.2
133.06490	0.5
137.05974	37.6
138.06361	0.6
138.31854	0.3
145.04955	13.7
161.05965	0.9
163.06017	5.8
179.07021	0.4
180.08630	0.5
215.10667	100.0
216.10983	2.3
227.10612	0.8
228.72701	0.3
239.10638	2.4
251.10622	1.3
255.10176	0.5
257.11627	2.3
277.12265	0.3
281.11740	3.4
305.11691	0.7
311.12589	0.4
323.12607	1.2
325.11224	0.7
341.13818	2.2
377.15594	0.5
394.25827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67108	0.7
52.73653	0.9
53.03987	0.8
55.01872	3.6
56.82764	0.8
57.03428	0.9
65.03946	1.8
66.13793	0.8
69.03423	2.1
70.06682	2.7
77.03925	1.2
79.05491	3.9
81.03442	1.0
81.07068	1.2
85.02905	6.4
91.05480	27.8
93.07080	1.1
94.04195	1.6
94.06585	1.5
95.04961	3.4
96.08115	1.3
97.02909	2.8
98.22803	1.4
103.05467	36.9
105.03391	7.6
105.04513	1.2
105.07035	22.1
107.04944	4.9
109.02849	0.9
109.06523	8.0
115.05466	2.8
117.07040	1.5
118.04211	1.2
119.04948	45.6
119.08537	1.0
121.06521	4.1
122.03649	3.5
123.08067	3.6
127.03947	1.5
128.06229	1.0
129.07010	2.1
130.04172	1.3
131.04930	100.0
132.05687	1.0
133.02864	7.7
133.06493	20.3
135.08060	2.0
137.05977	82.8
143.06046	1.4
145.04973	1.0
145.06497	1.6
147.04405	20.4
147.08051	2.6
149.05977	6.0
151.07544	25.2
157.06462	1.6
159.08072	2.8
160.05190	1.8
161.05981	94.7
162.06769	6.8
163.07547	63.4
164.90967	0.9
165.05504	4.7
172.05144	1.9
173.05904	1.0
175.07545	24.4
179.07028	28.2
187.07526	16.3
189.09081	2.3
190.06238	1.2
191.08517	1.6
193.08591	6.6
205.08620	12.5
217.08609	4.0
219.08058	3.8
231.08084	1.3
232.13306	6.1
235.07581	1.1
235.09639	4.6
247.07603	3.4
251.10674	4.4
259.07483	1.0
278.13815	2.0
279.10037	5.5
289.68289	1.3
291.10349	5.3
291.13113	1.0
296.10428	2.2
296.14972	2.2
309.11203	9.7
311.12732	19.1
323.09457	1.0
323.12610	4.6
329.13947	4.5
341.13864	10.7
359.14850	3.7
458.20135	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59012	1.3
53.03956	1.7
55.01867	3.4
65.03951	2.9
69.03423	4.8
70.06582	5.6
71.44655	1.1
79.05478	4.4
81.03439	2.5
81.07063	1.8
84.08144	6.0
85.02908	7.8
91.05476	26.4
94.04181	1.4
95.05001	2.4
97.02876	3.4
103.05467	34.3
105.03387	5.1
105.04459	1.6
105.07038	15.5
107.04953	4.7
109.06491	7.3
111.08092	1.7
115.05423	3.9
117.07039	2.1
119.04934	35.9
120.08080	1.5
121.06508	2.1
122.03648	4.0
123.08060	3.4
127.03928	3.7
128.06267	1.7
129.06996	5.3
131.04926	88.2
133.02853	5.9
133.06476	12.7
135.08138	1.6
137.05972	100.0
138.06274	1.7
143.04927	4.3
143.06017	1.6
144.05672	1.8
145.06537	2.8
146.07166	1.4
147.04420	14.6
147.08086	1.8
149.06001	5.3
151.03955	2.0
151.07541	16.1
153.05473	1.6
157.06479	5.7
160.05185	7.7
161.05978	53.0
162.02995	3.4
162.06717	4.7
163.07549	45.9
165.05476	3.1
167.07063	1.8
172.05223	4.9
174.06715	3.0
175.07544	48.5
179.07033	17.9
182.11789	1.5
187.07550	32.8
187.09209	2.4
189.09108	8.1
191.08705	1.6
193.08612	3.8
203.08531	3.4
205.08583	18.2
217.08553	10.6
219.08073	5.7
227.07066	1.9
231.08044	2.9
235.09593	9.3
247.07671	5.0
247.11971	2.0
248.08475	3.4
251.10701	3.6
253.08694	1.7
259.07693	2.2
263.10703	4.5
265.08847	1.9
270.08768	3.3
271.09692	3.7
276.07877	1.7
277.08749	1.6
279.10162	5.5
291.10187	12.2
296.10480	3.1
309.11234	6.4
311.12698	21.6
312.13007	1.3
323.12772	20.3
329.13782	3.9
341.13809	31.9
359.14914	2.0
394.22150	1.9
435.22076	6.0
436.23154	4.4
538.22491	4.0
556.23486	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01870	0.7
55.05522	0.4
57.03423	0.3
60.86789	0.2
61.02922	0.2
65.03950	0.6
67.05489	0.5
67.35803	0.2
69.03424	2.6
70.06606	0.5
71.04985	0.3
77.68841	0.3
79.05501	1.2
81.03412	1.0
81.07059	1.4
83.08599	0.2
85.02904	1.9
87.00831	0.4
87.49234	0.2
91.03925	0.3
91.05479	9.1
93.07045	0.7
95.04961	0.5
95.08601	0.4
97.02896	2.0
97.06530	0.4
98.98448	0.5
99.04429	0.3
103.05468	0.6
105.01878	0.3
105.07014	3.7
107.04964	0.7
107.08593	0.3
109.02887	1.9
109.10157	0.2
111.04471	0.3
115.05453	0.8
116.07057	0.2
116.78930	0.2
117.07009	2.6
119.04940	7.8
119.08584	1.4
121.06509	5.3
121.10175	0.3
124.80964	0.2
127.03912	2.4
128.06245	0.3
129.05482	1.8
129.06990	1.1
131.08563	0.9
133.06490	23.8
133.10103	0.8
135.04436	0.4
137.05975	3.5
139.03896	0.4
141.06940	0.3
142.07765	3.1
145.04974	1.4
145.06483	0.3
145.10115	0.3
147.08058	0.7
147.11671	1.1
149.05916	0.3
151.07477	0.3
157.10121	17.6
158.10461	0.5
160.08804	1.2
165.09268	0.4
167.10756	0.3
175.11182	100.0
176.11517	2.3
185.04475	1.0
187.07535	1.5
203.05461	0.6
205.08582	0.3
227.06946	0.2
263.09213	0.3
273.11255	3.1
279.61615	0.2
320.17914	0.3
329.08621	3.8
347.09793	0.4
382.13324	0.7
421.08038	0.3
480.67343	0.3
556.25836	1.4
557.28760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01864	0.8
56.70823	0.3
57.03434	0.6
61.02918	0.5
65.03928	1.0
69.03424	3.7
69.67117	0.6
69.67484	0.4
70.06580	0.9
71.04976	0.6
72.08146	0.4
73.02905	0.4
78.97430	0.2
79.05484	1.5
81.03417	1.9
81.07050	1.2
83.04984	0.6
84.01391	0.3
84.08153	0.8
85.02477	0.4
85.02917	4.6
85.06561	0.6
87.00841	2.1
91.03944	0.4
91.05482	18.8
93.07044	0.4
95.04971	0.6
95.08575	0.5
97.02892	2.8
99.04458	1.1
101.02401	0.3
103.05466	0.5
105.01859	1.5
105.07037	2.9
107.04912	0.3
109.02882	2.9
111.04422	0.4
115.03864	0.3
115.05460	0.9
116.42065	0.2
117.07017	3.9
119.04945	5.7
119.08614	1.3
121.06509	3.7
123.08011	0.3
127.03920	4.2
129.05511	2.7
129.06973	1.7
131.08571	0.9
133.06496	20.0
133.10117	0.4
134.06834	0.3
135.08014	0.4
136.08838	2.7
137.05962	2.5
139.03911	0.4
141.07014	0.5
142.07779	2.4
143.08574	0.7
145.04979	1.9
145.10120	0.6
146.07303	0.4
147.08052	0.8
147.11664	0.6
149.09668	0.3
153.07043	0.5
155.08556	0.6
157.10129	15.3
159.02934	0.4
160.08879	0.6
165.07005	0.7
166.07780	0.3
167.08548	0.8
169.10147	0.6
171.07925	0.3
171.11652	0.5
175.11188	100.0
176.11528	2.4
180.09369	0.8
185.04498	1.0
195.11716	3.2
197.09589	0.3
198.10333	0.5
203.05530	0.7
209.13365	1.0
212.12035	0.5
213.10663	0.5
213.12732	8.3
227.14307	16.5
228.14703	0.5
231.04996	0.6
231.13785	3.3
237.12912	0.6
255.13812	13.6
256.14188	0.5
260.52676	0.3
273.14877	4.4
304.39212	0.3
311.07605	0.7
329.08670	4.0
347.09467	0.5
382.13403	0.7
394.22607	0.6
556.29681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01859	1.8
55.05513	1.1
56.10584	0.6
57.03428	3.3
59.05016	0.8
61.02925	1.5
65.03945	0.8
65.35770	0.7
69.03065	1.0
69.03430	18.8
70.03759	0.9
70.06590	1.3
70.63886	1.0
70.64245	1.5
71.04997	1.4
73.02913	1.3
76.30236	0.7
79.05493	1.1
81.03422	6.5
81.07051	1.2
83.04985	1.1
85.02909	21.0
85.06540	1.3
86.19405	0.7
87.00837	6.4
88.98434	0.7
91.05482	33.5
92.05753	1.0
93.07016	1.1
95.04968	0.9
97.02895	12.1
98.22701	0.9
99.04449	3.4
104.23217	0.8
105.01878	5.1
105.07015	3.9
107.04948	0.8
107.08571	1.6
109.02894	6.4
109.06522	1.2
117.07008	4.6
118.45767	0.8
121.06480	1.7
121.10143	2.2
123.08058	1.8
125.00877	0.7
125.01572	7.1
126.01912	1.5
127.01254	45.7
127.03908	19.4
129.07053	1.9
131.08568	2.0
135.08055	1.4
136.08836	13.3
141.02800	3.3
141.06937	1.2
143.08549	2.9
145.04965	9.5
147.31198	0.7
149.09508	1.7
151.07483	1.0
153.06982	1.7
155.08539	1.4
157.10100	1.5
159.02904	1.3
165.06973	1.8
167.06224	6.2
167.08556	2.9
168.06567	3.3
169.05933	64.7
169.10115	2.2
170.06189	1.1
171.11716	2.8
175.11171	0.9
179.08566	1.9
180.09326	3.3
181.10156	1.0
193.10138	1.3
194.10936	1.8
195.11687	10.7
197.09586	0.9
198.10355	1.2
209.13332	4.1
212.11928	2.1
213.12749	31.2
214.13228	0.8
227.14302	100.0
228.14600	2.9
229.16122	0.8
231.05074	2.1
237.12785	6.1
255.13808	53.5
256.14288	1.7
273.14883	25.3
274.15216	1.5
298.20801	0.8
341.09668	1.8
357.10666	0.8
359.10696	23.1
556.27899	2.3
557.32983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42027	1.4
53.03948	1.6
55.05522	1.7
57.03444	2.6
66.33531	1.4
69.03449	7.4
70.06595	12.0
71.06969	1.9
71.21938	1.7
72.08160	2.6
73.02918	2.0
79.05507	1.8
81.03423	4.8
84.08138	1.8
85.02913	13.1
85.06537	2.7
86.09714	1.6
87.00839	4.9
91.05483	45.1
97.02890	7.1
98.06110	1.9
99.04482	3.6
105.01878	5.7
105.07027	3.0
109.02903	6.0
109.06525	2.0
111.08040	1.6
112.36758	1.5
114.09176	5.1
117.07021	6.1
121.02873	9.9
121.10159	2.3
123.08063	2.9
125.05975	2.5
127.03933	6.8
129.06950	1.8
131.08620	3.6
134.76396	1.3
135.08080	3.2
136.08847	11.7
143.08577	3.7
145.05017	2.8
149.09612	3.8
151.07558	1.6
153.07008	2.9
155.08630	2.5
157.10214	2.0
165.06985	2.7
167.08580	3.7
169.10236	2.1
171.11732	6.3
175.11192	2.9
179.08559	2.7
180.09402	4.6
191.07199	1.5
195.11653	16.2
198.10413	1.9
209.13275	7.0
213.12752	43.8
213.14655	3.0
215.30000	1.4
227.14320	100.0
228.14755	2.4
231.05048	2.1
237.12747	8.4
255.13811	84.5
256.14188	1.6
273.14853	33.9
394.23077	1.7
485.26297	2.0
555.40894	1.9
556.31598	3.0
556.41461	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00071	0.9
55.01866	1.2
56.05051	1.0
69.03434	6.7
69.45536	4.5
70.06583	2.9
72.08157	1.7
77.22008	1.0
79.05492	1.8
81.03418	2.4
84.08142	2.2
85.02911	7.8
86.09692	1.6
91.05468	2.4
93.07036	1.1
94.04177	1.6
97.02897	2.5
99.04463	1.3
103.05487	1.8
105.07033	1.0
109.02893	1.2
109.06509	3.3
111.08078	4.9
112.08452	1.3
115.03899	1.9
115.05465	4.0
119.04973	1.6
120.08124	1.1
122.02901	1.1
122.03658	4.6
125.06002	1.2
126.18407	1.0
127.03915	2.8
129.07001	5.7
131.04921	6.6
137.05977	100.0
138.06258	2.3
143.04973	6.8
144.05611	1.3
145.04951	1.7
145.06470	1.6
151.03882	3.4
151.07576	2.7
153.05463	1.8
157.06464	6.1
160.05185	13.6
161.05989	2.8
163.07541	3.1
164.05301	1.6
165.05489	2.8
166.05911	1.3
170.06332	1.1
172.05209	2.9
174.06734	4.9
175.07545	72.0
176.07959	1.3
177.05397	1.7
179.07060	1.7
180.03900	1.2
182.11783	1.2
182.55302	1.1
187.07538	44.2
189.09122	12.7
199.07594	3.4
203.08524	4.0
205.08591	13.7
211.07489	2.0
217.08618	14.8
219.08069	4.5
220.08987	1.2
227.06992	1.6
231.08058	4.4
235.09619	15.4
239.07016	2.4
240.07747	1.5
242.08440	1.5
247.07559	4.0
248.08275	6.0
249.09207	1.3
251.10622	2.6
255.06583	1.8
256.07361	1.6
259.07486	2.4
263.10669	7.2
264.07877	1.9
265.08591	2.4
270.08865	5.6
271.09601	7.3
276.07813	3.1
277.08618	1.9
279.10211	6.8
280.10803	1.5
281.08038	1.5
283.09653	2.2
291.10132	14.4
292.10782	1.3
293.08020	3.4
295.09735	1.5
296.10449	4.3
308.10342	2.9
311.12769	14.1
323.12769	32.4
341.13828	52.8
342.14151	1.2
350.12952	1.1
378.59903	1.0
386.22098	1.2
394.22192	1.5
503.19165	2.1
556.23914	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64807	0.4
55.01853	0.7
57.07069	0.5
66.53389	0.4
67.05473	1.6
69.07022	0.6
69.08173	0.4
69.93695	1.1
69.94044	0.5
70.06590	0.6
75.74174	0.4
77.00796	0.4
79.05459	1.0
81.07036	0.9
83.04941	0.5
83.99742	0.4
89.06012	0.4
89.06616	0.5
91.05476	3.0
93.07008	1.5
95.04941	1.1
95.08580	0.5
97.10120	0.4
98.98432	0.8
105.03352	0.7
105.07011	1.2
109.06461	1.4
113.84086	0.4
119.04888	0.5
121.06503	6.3
123.08055	1.3
125.05934	1.1
135.08022	2.0
137.05998	2.8
139.07529	7.9
150.06718	0.7
151.07547	9.7
153.05498	2.1
155.01010	2.1
163.07553	1.1
165.05591	0.9
165.06985	1.4
165.09081	1.6
167.07063	9.9
167.08414	0.8
175.07503	0.6
178.07745	0.7
179.08578	2.4
181.10085	0.5
185.05991	0.6
191.08580	0.7
193.06487	0.7
195.08064	0.6
196.08846	0.8
197.09639	2.9
207.08047	1.4
208.08855	2.0
209.09650	1.7
210.06702	1.1
211.07451	0.7
211.11147	1.6
221.09785	0.6
223.11220	1.8
224.08296	1.4
225.09103	25.6
226.09694	0.7
229.14389	0.6
236.08276	0.6
237.09108	0.5
238.09784	1.0
239.10638	11.0
240.11447	100.0
241.11992	2.9
251.10672	8.0
253.08646	1.0
253.12193	1.9
254.09169	1.1
254.13005	7.0
255.10065	1.5
256.10785	1.3
267.10165	1.8
269.11627	2.2
270.12280	1.5
277.12399	0.5
301.14584	0.9
313.12161	0.6
314.27728	0.6
316.13266	1.3
326.13095	0.8
329.11789	1.4
330.12592	0.6
339.10141	0.6
341.15326	1.6
344.14032	1.8
355.13129	0.6
357.11221	1.4
359.16434	1.9
371.13062	0.5
372.13501	3.5
373.14157	0.9
387.15872	4.4
389.17978	0.9
390.14548	0.5
405.16968	6.8
423.28000	0.6
521.34277	0.5
556.24554	79.7
557.25006	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05508	13.9
56.95044	0.9
57.03438	3.8
66.15478	0.8
66.62540	1.1
67.05497	2.9
69.03426	13.2
69.07061	2.5
69.47974	4.3
70.06581	2.7
71.70205	1.0
73.18841	0.9
79.05498	2.8
81.03399	1.6
81.07047	4.6
83.04987	9.5
83.08618	13.4
85.02920	9.1
85.06540	1.9
87.04484	8.0
91.05460	2.7
93.07034	7.4
95.04976	10.3
95.08621	5.1
97.02903	9.5
97.06525	2.7
97.10157	1.1
98.22718	1.5
99.04447	3.9
99.08076	1.2
103.05468	2.3
105.07028	4.0
107.08595	12.2
109.06512	4.4
109.10158	7.3
111.08097	3.0
115.03951	12.4
115.05408	1.2
115.07589	3.4
116.68399	0.8
117.06985	1.0
117.09040	1.0
119.08578	2.3
121.10143	23.6
122.03645	1.4
123.08004	1.6
123.11689	3.4
125.05989	1.4
125.09647	2.7
127.03908	2.6
129.07013	5.6
131.04895	5.8
131.08539	1.3
133.04982	12.0
133.10127	5.5
135.08089	1.4
135.11739	1.3
137.05975	26.2
139.11198	2.0
145.04926	2.7
145.10144	1.8
147.11707	2.6
149.13252	2.9
151.11180	18.4
153.05484	2.5
153.09167	5.2
157.06509	3.6
161.06003	1.2
163.07539	2.1
163.14844	6.3
164.14323	2.5
167.14330	18.6
173.13266	5.3
174.06772	2.2
175.07578	8.0
175.14847	2.1
177.09109	1.2
182.11749	1.5
187.07535	10.1
188.08138	1.0
189.09103	8.3
191.14276	8.9
200.12862	1.3
209.15369	100.0
210.15656	2.0
210.51869	1.1
217.08662	1.8
219.07982	1.3
227.16417	8.7
231.08252	1.3
247.07562	1.1
259.08023	1.4
271.09564	1.3
276.07861	1.3
279.10147	1.6
291.10199	2.3
295.10147	1.9
296.10025	1.5
300.13644	1.0
305.17419	1.4
311.12827	3.3
323.12781	4.1
331.13531	0.9
341.13791	7.7
392.96701	0.9
436.23328	13.8
556.24011	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	556.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34028	0.4
55.05502	0.7
57.07076	1.0
65.03945	0.5
66.51067	0.3
67.05516	1.0
69.07069	0.7
69.43079	1.7
71.08629	0.9
79.05479	0.8
81.07078	0.8
83.08602	0.8
87.04475	0.4
89.06027	2.3
91.05484	6.2
93.07041	2.9
95.08592	0.9
96.71690	0.4
98.23489	0.5
105.07042	0.8
107.04987	0.6
109.06519	1.4
119.05038	0.4
119.06052	1.0
121.06504	6.4
133.08588	0.9
135.08034	2.1
140.07030	1.9
152.07129	0.5
162.09161	1.1
164.06848	0.5
168.06505	2.3
171.34334	0.4
177.11211	0.7
186.09180	2.8
192.06555	17.4
199.09943	1.1
200.07047	0.5
201.07841	1.9
216.10199	40.8
217.10541	0.6
222.07535	0.9
224.36755	0.5
238.08681	0.8
242.09291	1.0
242.11760	17.1
270.11249	18.0
277.05252	0.4
277.21606	0.5
283.26349	0.6
288.12305	15.6
289.12830	0.4
298.10812	1.6
371.22894	0.5
412.55316	0.5
556.36340	100.0
557.36731	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	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06203	0.8
53.03954	0.7
54.85353	0.7
55.01871	2.1
55.05509	9.7
57.03177	1.1
57.03437	9.3
57.07076	32.8
67.05163	1.1
67.05507	18.0
69.03427	0.9
69.07066	9.9
70.06591	1.3
70.71909	1.3
71.04986	1.7
71.08633	25.8
71.84058	0.7
73.02912	1.0
76.25486	0.7
79.05499	17.1
81.03419	1.0
81.07057	21.6
82.07421	0.7
83.04977	1.8
83.08620	13.7
85.06525	1.3
85.10180	14.2
89.06043	2.1
91.05468	5.5
91.42166	0.8
93.06443	1.3
93.07043	25.3
95.04967	4.7
95.08604	41.5
97.02892	2.9
97.06538	2.0
97.10188	4.6
99.04473	3.4
103.07582	1.6
105.07004	4.5
107.04956	7.3
107.08591	20.7
109.06529	1.6
109.10144	8.0
111.11706	1.0
117.07008	5.7
119.08582	8.0
121.06520	5.2
121.10139	9.7
123.11711	3.0
125.05992	2.9
130.07829	1.7
133.10152	1.8
135.08035	1.1
135.11694	42.2
137.13235	1.5
139.07571	2.1
145.10132	23.4
150.07635	0.8
153.12680	1.0
163.11180	54.4
164.11565	1.3
178.61586	0.8
181.12242	9.5
209.11752	1.8
227.12773	66.5
228.13335	1.2
239.23804	1.8
256.26315	1.0
257.24753	2.0
283.15393	72.4
283.26212	7.1
284.15726	1.4
300.29001	4.6
313.27353	100.0
314.27716	2.9
521.38391	68.6
522.38788	3.6
556.53046	10.0
569.15814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52048	0.4
56.96570	5.5
57.84152	0.4
71.95263	0.5
98.97586	70.0
116.98624	37.1
126.21091	0.4
126.98672	0.4
134.99655	9.8
139.43526	0.4
140.00168	0.6
151.73915	0.5
172.94376	2.6
182.17909	0.4
190.95398	2.5
197.95122	0.5
208.96458	0.7
214.95410	3.0
230.93515	0.4
232.96457	7.6
235.00031	0.5
236.99915	0.5
240.98726	0.7
241.33932	0.5
241.94212	0.5
250.97588	2.5
256.96417	18.2
258.99872	3.7
260.00018	1.2
260.99731	0.9
261.03094	1.0
262.03247	0.6
272.94458	1.5
274.97519	100.0
275.97943	2.0
276.97830	0.8
277.00781	4.9
278.97244	0.5
279.00687	0.7
283.00043	1.9
284.00180	1.0
284.99768	1.3
285.99954	0.7
288.92316	0.6
288.99356	0.6
290.95523	0.7
292.98569	48.5
293.98965	0.7
297.99146	1.5
298.97702	2.3
299.98010	1.1
300.97818	0.8
301.01056	2.3
302.01141	1.2
303.00903	1.7
314.95645	1.0
316.00159	1.0
316.98938	2.5
317.98868	0.9
318.98801	0.9
330.93527	0.7
332.96616	0.8
372.94611	0.9
374.97867	0.5
396.94434	0.9
398.97742	5.0
401.01035	1.1
414.95380	33.2
415.95523	0.6
416.98672	7.9
417.98370	0.5
425.01160	0.6
427.01001	0.8
431.00372	0.6
432.96442	36.6
434.99695	0.7
440.00607	0.6
443.02231	0.8
444.02289	0.6
445.02618	0.9
450.97543	6.3
455.00729	0.5
455.97974	1.5
472.94824	0.8
473.01630	1.0
514.95850	0.8
538.95410	0.7
556.96478	16.5
557.96863	1.2
574.97125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2168
Annotation	Piperaduncin C
Peak:m/z	Relative Intensity
55.05515	0.8
60.04512	0.8
67.05495	1.2
68.05045	0.8
69.03432	1.9
71.04991	2.2
71.45505	0.8
79.05497	2.7
80.05022	5.2
81.03419	0.6
81.07040	1.2
83.01331	1.6
83.04990	0.8
87.96264	0.6
91.05482	2.0
93.07072	1.0
94.06553	2.3
95.04949	1.2
98.97621	0.7
106.06573	1.2
107.04931	1.6
107.08517	0.6
108.08163	0.8
108.10876	0.6
109.06518	1.0
111.02671	7.8
112.07598	1.2
117.24882	0.6
118.06525	1.2
120.08105	2.2
122.09688	2.5
123.08094	0.8
124.03967	1.4
127.03950	1.5
129.07002	0.9
130.06514	1.1
131.08446	0.6
132.08109	1.5
133.06488	1.2
134.09689	1.9
135.08078	1.0
136.07635	0.7
137.05965	0.8
140.10738	1.4
144.08095	1.3
145.06543	0.8
146.09613	0.8
148.07591	1.0
150.09164	1.3
151.07504	1.1
152.10588	0.9
158.09636	1.1
160.07538	1.4
160.11147	3.1
162.09164	1.4
166.08643	2.2
172.11263	1.8
174.09187	0.6
176.10707	1.9
177.03802	0.8
178.12247	1.2
179.10760	1.5
186.09132	1.4
190.12262	1.4
194.57170	0.7
196.09752	0.8
198.05960	1.3
200.10728	1.7
204.10228	1.2
218.11757	12.7
228.13893	1.9
234.20790	0.7
236.12807	4.8
246.14900	5.0
256.13385	2.6
264.16058	1.1
274.14377	16.1
275.15207	1.0
292.15472	1.8
310.89038	0.7
326.14148	14.6
326.61099	0.8
382.16443	1.0
400.17569	2.7
413.16699	1.0
418.18549	3.7
436.19528	10.8
452.17365	1.5
470.18442	21.4
470.24908	1.4
484.91470	0.7
503.17947	0.8
512.19275	2.5
557.21600	100.0
558.21490	4.1
577.64838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05515	0.3
57.46469	0.2
58.06586	0.6
66.49954	0.2
67.05501	1.1
67.11191	0.2
68.05013	0.6
69.03426	0.7
69.85774	0.4
69.86106	0.5
70.06591	8.0
79.05495	0.7
80.05019	1.1
81.07054	0.8
82.06607	0.4
83.07345	0.3
84.08141	2.7
86.09704	0.3
87.59272	0.2
91.05510	0.3
93.07032	1.2
94.06567	0.9
95.08601	4.3
96.08130	1.5
97.06526	0.4
97.08970	0.3
99.04453	1.0
105.07030	0.8
107.08574	0.5
108.08119	1.0
110.09681	0.9
111.08053	0.5
119.08596	0.5
120.08115	0.7
121.08888	0.3
122.09664	1.7
123.08061	0.8
124.11220	0.9
125.05984	1.4
125.09613	0.6
127.03895	2.2
127.05806	0.4
129.05545	0.5
132.69930	0.3
134.09647	0.8
135.08026	0.4
135.10446	0.5
136.11221	4.4
138.12787	0.5
140.10742	0.4
149.12106	0.3
150.09143	0.9
150.12784	0.7
151.13614	0.3
152.10727	1.3
153.09090	0.4
154.12259	1.1
162.12811	0.9
164.14352	14.1
168.10242	0.5
169.08673	0.4
176.14305	0.5
179.17569	0.2
182.11757	6.5
184.13387	0.4
190.15901	0.5
193.12262	0.3
200.12828	6.2
200.14630	0.5
234.14958	0.4
236.16473	0.5
239.28835	0.2
244.16881	0.5
250.12688	1.1
262.18057	0.7
264.19601	0.5
268.15546	0.4
290.17578	0.3
294.16937	0.4
304.15579	0.3
306.17068	3.0
308.18289	0.3
320.18573	0.3
324.16232	1.3
332.61679	0.2
342.17435	0.8
344.18527	0.5
400.21478	0.5
418.22141	5.5
436.23291	100.0
437.23669	2.6
454.85287	0.3
470.22195	0.4
547.07043	0.2
557.17627	0.3
557.25391	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	557.2539
Annotation	Ingenol 3,20-dibenzoate
Peak:m/z	Relative Intensity
51.19811	1.2
55.05528	1.4
63.72853	1.4
65.03928	1.4
67.38656	1.5
68.99736	1.2
69.73064	5.1
79.05489	7.3
80.19077	1.3
91.05482	13.1
93.07055	2.8
95.04967	3.9
98.22714	1.8
103.05480	6.6
105.04556	1.6
105.07034	22.6
107.04950	2.1
107.08618	1.6
109.06585	2.8
120.05766	4.5
121.06522	19.4
122.06853	1.3
123.08109	3.7
135.04411	9.7
135.08058	46.6
135.09062	2.6
136.05177	2.8
137.05928	6.7
139.07578	2.3
150.06769	39.2
151.07571	16.2
153.06990	1.7
161.06053	4.6
165.07053	2.1
165.09117	41.0
171.08116	1.6
177.09055	1.8
179.08586	2.3
181.10161	1.5
194.07237	2.3
195.07959	2.1
197.09584	1.9
201.09181	2.0
208.09023	1.4
209.09666	5.8
210.06871	1.5
210.10483	2.2
211.07579	6.7
214.03452	1.4
223.07619	1.9
224.08246	2.4
225.09126	6.7
226.09825	9.7
227.10725	2.6
229.08647	2.5
237.09203	4.1
238.09845	4.3
239.07118	2.6
239.10608	2.0
241.08711	2.7
241.12296	5.8
251.10950	1.9
253.08624	26.3
254.09244	9.6
255.10170	6.1
256.10980	3.0
257.11676	2.1
267.10324	3.9
268.10617	6.4
269.11740	100.0
270.09665	2.0
270.12427	11.7
281.11804	2.0
285.11307	1.8
302.61691	1.3
341.11945	1.8
354.12671	1.8
355.13483	1.6
358.11572	3.6
359.16620	2.0
369.14838	2.2
370.15631	4.4
371.12839	3.3
372.13623	4.9
373.14404	2.4
374.15109	1.9
384.17459	1.9
386.15332	5.0
387.15793	7.4
388.16537	1.6
390.14481	2.0
391.15076	2.9
393.78812	1.3
399.16187	1.7
399.31390	1.5
401.17554	5.9
404.16467	1.8
405.16769	3.2
417.17105	3.8
419.18643	15.2
525.22583	5.1
539.24323	4.0
557.25177	59.7
558.25537	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2539
Annotation	Ingenol 3,20-dibenzoate
Peak:m/z	Relative Intensity
65.03934	3.4
67.05492	1.7
67.89887	0.5
69.03437	0.9
69.23396	3.0
77.03941	1.1
79.05492	4.7
81.07052	0.6
83.01334	1.0
83.03440	0.6
83.05004	0.6
84.76587	0.5
88.48927	0.5
91.05478	31.4
93.07038	11.1
95.04949	2.2
95.08593	1.4
103.05482	3.7
105.04503	1.0
105.07020	14.2
106.04160	1.5
107.04949	2.0
107.08584	0.7
109.06525	9.1
117.07071	0.9
119.04912	0.8
119.05206	0.8
119.06056	6.9
120.05715	2.5
121.06504	100.0
122.06852	1.1
123.08080	4.1
125.05963	1.5
133.06474	1.1
135.08052	42.7
136.08691	0.8
137.05992	3.3
139.07518	1.2
141.06978	1.8
145.06496	1.2
146.70653	0.5
147.08069	1.8
149.05957	2.6
150.06754	1.3
151.07536	44.5
152.07835	0.6
153.05475	3.8
153.06987	1.8
154.07785	1.8
155.08540	2.3
157.06462	1.4
158.07253	1.7
159.08058	1.8
161.06015	0.9
163.07565	2.3
164.08340	4.4
165.06989	2.2
165.09079	2.5
167.07053	1.7
167.08592	1.8
168.56172	0.5
169.10133	2.1
171.08076	1.1
173.09586	0.8
174.99933	0.5
177.05434	0.7
178.07814	3.0
179.07182	0.7
179.08562	4.0
180.09402	0.8
181.06488	2.3
181.10109	0.8
182.07263	3.4
183.08044	4.1
185.05991	1.6
185.09579	1.2
186.06747	1.4
187.11121	0.9
192.09319	1.0
193.10112	7.0
195.08064	7.2
196.08885	3.5
197.09605	8.7
198.06575	0.5
198.10503	0.6
199.07465	0.9
206.07262	1.0
207.08028	1.9
208.08830	1.2
209.09631	3.0
210.06784	3.0
210.10373	6.9
211.07582	5.6
211.11125	7.3
212.08115	0.7
212.11989	2.1
213.05583	0.9
213.09044	1.1
215.10681	2.4
221.09622	2.2
222.10310	1.2
223.07574	4.7
223.11040	2.6
224.08260	6.3
225.09122	17.8
225.12624	5.4
226.09831	1.8
227.07040	1.7
227.10654	1.8
228.07854	4.9
228.11369	0.7
229.12340	0.9
235.11166	1.0
237.09085	1.9
238.06174	1.1
238.09897	9.9
239.06950	1.1
239.10646	18.1
240.07719	0.8
240.11436	4.6
241.08604	7.8
241.12215	10.6
242.09291	4.0
243.10162	29.9
243.13759	1.1
243.44095	0.6
244.10522	0.6
251.10663	1.3
253.08600	61.0
253.12225	10.6
254.09343	6.7
255.06586	1.4
255.07021	1.0
255.10153	7.0
256.10950	14.0
257.11713	4.1
267.10229	1.8
269.11667	5.1
270.08862	5.6
271.13284	66.3
272.14029	26.3
273.14868	1.7
278.72690	0.6
285.11200	40.9
286.11911	1.9
287.12784	5.3
335.55322	0.5
381.15009	0.7
389.13876	0.6
399.15814	1.4
403.15411	0.9
417.16843	1.7
439.17139	0.7
525.22711	10.1
526.22882	0.8
557.25360	5.1
558.25549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21284	0.7
65.03938	1.1
67.05507	1.5
69.14925	1.6
69.15331	3.0
71.07372	2.0
79.05485	2.5
86.09708	12.1
91.04944	1.0
91.05489	13.7
93.07050	4.4
95.04977	1.1
103.05451	1.0
104.10695	1.3
105.07041	6.2
107.04930	1.1
107.75587	0.7
109.06534	3.2
119.06043	1.8
120.05727	1.3
121.06513	31.0
123.08070	1.3
131.04912	1.1
135.04408	1.7
135.08063	21.2
136.08342	1.1
137.05960	0.8
141.07039	0.9
150.06744	3.0
151.07555	5.8
159.08017	1.2
162.95595	9.4
163.07256	0.8
164.08405	0.9
165.07060	1.6
165.09114	2.7
166.07791	0.9
167.08632	0.9
175.07602	2.0
179.08548	1.2
181.10187	2.5
183.08105	1.1
185.09668	1.4
191.08583	0.9
194.07083	0.8
195.08060	2.8
196.08818	1.0
197.09531	1.4
198.10306	0.9
199.07558	0.8
209.09625	6.5
210.10410	3.9
211.07658	4.7
211.11041	1.8
212.08386	1.0
213.09128	0.7
221.09718	1.1
223.07651	1.1
223.11230	1.3
224.08339	1.5
225.09102	5.4
226.09883	12.8
227.07062	1.0
227.10657	2.1
235.11317	0.9
236.08446	1.0
237.09082	3.6
238.09947	4.5
239.07086	1.7
239.10699	4.5
240.11426	1.2
241.08559	2.9
241.12228	8.0
243.10228	3.1
251.10640	1.3
252.11465	2.9
253.08649	7.4
253.12206	2.7
254.09335	7.8
254.13028	6.5
255.10146	4.2
255.13602	1.4
256.10944	1.0
257.11789	2.2
265.12256	1.0
267.10278	2.1
267.13828	10.8
269.11734	100.0
270.12387	5.1
271.13364	3.4
272.14081	5.8
285.11142	6.2
359.12885	1.1
373.18036	10.9
403.15359	2.2
417.17102	4.1
419.18524	0.8
431.18726	1.6
499.22220	15.1
525.22180	2.1
539.24445	4.6
557.25439	8.2
558.29736	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	557.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05490	1.0
57.07040	1.4
66.92125	0.5
67.05475	2.2
69.03420	0.9
69.90956	0.5
70.62562	1.0
71.08591	1.6
79.05471	1.7
80.83128	0.4
81.07022	1.3
83.01306	1.1
83.08593	0.5
85.10114	0.6
89.06007	2.2
91.05476	4.4
93.07021	1.8
95.04948	1.2
95.08563	0.9
105.07037	3.3
108.05686	0.9
109.06505	1.1
109.10124	1.7
111.04401	0.5
119.06001	0.6
121.06505	11.2
123.08019	1.9
133.08591	1.6
135.07059	0.6
135.08046	6.8
135.66580	0.5
137.05937	1.1
139.07491	1.9
143.08539	0.6
146.98221	0.6
149.05966	1.3
149.07149	0.9
150.06821	3.2
151.07532	12.8
155.08554	1.3
159.08090	0.7
159.19284	0.5
165.06947	1.3
165.09093	4.5
167.07187	0.5
167.08571	1.7
169.10173	1.1
177.08990	0.7
177.11244	0.6
178.07777	6.1
178.41194	0.5
179.08549	2.8
180.09398	0.8
181.06345	0.7
183.11650	0.8
189.09056	0.7
191.10553	0.7
192.09315	0.5
193.10135	11.9
194.07283	0.6
194.10791	1.0
195.08038	3.1
195.11664	1.1
196.08783	2.0
199.07558	0.9
199.11127	0.5
201.09077	1.0
206.07288	1.4
207.08067	4.0
208.08855	2.0
209.09634	1.8
210.10411	4.0
211.07626	0.8
211.11180	6.2
212.08374	0.7
221.09569	5.2
222.10335	2.4
223.07623	2.3
223.11180	1.9
224.08315	6.6
225.08994	0.9
225.12756	8.9
226.09865	1.2
226.13376	0.8
229.14362	1.2
231.10074	0.6
236.12111	0.7
237.09138	1.9
237.12727	2.1
238.09877	7.1
239.10666	39.3
240.11154	1.7
241.12251	1.6
243.13773	0.7
252.11494	0.7
253.12236	22.2
254.13016	100.0
255.10199	2.8
255.13353	1.7
256.10754	0.7
257.95810	0.5
265.12280	2.4
267.13855	2.8
269.11703	6.1
270.12576	2.8
271.13156	0.9
279.10071	0.8
281.11810	0.7
283.26288	0.9
285.14890	4.1
287.12823	1.0
293.11685	0.6
293.21054	2.6
294.21365	0.8
295.13284	1.0
345.14957	0.5
367.24365	0.6
368.25089	0.7
497.23175	0.6
515.24335	7.7
516.24176	0.6
521.34851	0.8
522.34595	0.6
539.24298	1.2
556.52740	1.6
557.25317	83.7
558.26019	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2576
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
55.01873	0.5
55.05515	1.6
57.03434	0.6
57.07069	0.5
57.97747	0.4
66.08172	0.4
67.05502	1.2
69.03439	1.5
69.07072	1.2
70.06564	0.5
70.51723	0.5
71.05000	0.6
79.05543	0.6
81.03458	0.8
81.07076	2.6
82.43300	0.4
83.04987	0.6
83.08615	0.4
85.02915	2.4
88.25197	0.5
91.05479	0.9
93.07049	1.6
95.08590	2.6
97.02892	1.0
99.04463	0.5
105.06441	0.4
105.07027	2.3
107.08597	1.2
109.02899	0.6
109.06506	0.4
109.10153	1.7
111.08089	0.9
115.03944	0.7
117.07057	0.5
119.08595	5.8
121.10146	1.8
123.11696	3.1
127.03939	1.5
133.10123	2.6
135.11658	0.7
137.06039	0.5
145.05028	0.8
145.10135	0.5
147.08125	0.6
147.11659	0.9
149.13316	0.5
163.11165	0.6
175.14810	1.3
200.01050	0.4
201.03815	0.7
203.05290	10.4
203.14421	0.4
263.16742	0.4
273.10837	0.4
288.24042	0.6
305.24857	1.8
306.25195	1.5
323.25882	1.5
324.26172	0.7
341.26892	0.7
377.19342	27.2
433.56854	0.5
504.51608	0.5
557.25714	100.0
558.25702	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	557.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75901	0.7
57.07095	0.9
57.32495	0.7
58.87604	0.9
67.05505	1.1
71.46269	0.6
79.05515	1.5
91.05486	3.7
93.07096	1.5
95.08623	0.8
95.74574	0.7
105.07028	5.2
107.29063	0.6
109.71777	0.9
121.06507	9.5
132.10165	0.8
135.08061	15.2
135.09050	0.8
141.91872	0.7
149.87498	0.7
151.07599	1.5
160.25668	0.7
165.09070	6.1
169.25690	0.6
178.07918	0.9
179.08620	1.0
193.10202	1.7
195.08076	1.4
197.09782	1.0
210.10477	1.2
211.11201	1.7
224.08354	1.1
225.09158	1.6
225.12811	1.8
238.09962	1.5
239.10709	6.7
253.12234	3.4
254.13028	11.0
254.15408	0.8
257.11792	1.6
269.11884	0.9
271.13232	3.3
273.14795	4.3
274.00470	0.7
283.26434	1.8
285.11530	0.9
285.14978	2.7
286.15637	1.4
348.58459	0.8
352.74149	0.9
402.21997	0.7
556.53094	1.9
557.31207	100.0
558.31635	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	557.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
55.05510	0.3
57.03442	1.7
57.07075	7.2
59.04993	0.3
60.05299	0.2
61.02927	5.1
61.62147	0.2
67.05513	1.0
69.03433	2.1
69.55320	0.3
71.08633	1.4
73.02924	3.5
74.60062	0.2
81.03425	1.1
81.07056	0.9
85.02905	5.3
85.10181	0.8
87.04474	0.6
89.06036	3.3
90.06364	0.5
91.03947	3.4
95.08616	1.0
97.02886	3.6
99.04474	0.7
101.02402	1.5
103.03947	0.5
109.02898	0.7
109.10159	0.7
115.03899	0.3
127.03907	1.5
127.11194	3.7
133.08597	1.2
134.08994	0.6
145.05009	0.4
145.12241	0.6
148.92209	0.2
155.14268	1.3
157.90308	0.3
177.11227	0.6
178.11497	0.4
185.04247	0.7
201.14836	2.9
201.69328	0.2
203.05225	0.3
229.17921	1.2
243.08469	1.1
283.26642	0.3
360.26602	0.3
371.22900	0.7
372.23163	0.8
385.18292	10.2
386.19016	0.4
413.21509	4.3
556.52960	0.3
557.33002	100.0
558.33307	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	557.3454
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
57.07072	3.3
71.08635	2.3
78.48396	0.7
83.56133	0.8
85.10174	1.7
88.07639	0.8
89.06019	3.6
90.06351	0.8
105.75277	0.9
133.08611	2.1
177.11223	1.0
195.02769	0.7
281.23279	0.7
283.26553	1.2
313.27408	0.9
335.22821	1.0
372.23425	0.8
391.25241	1.1
418.61856	0.8
465.28909	1.8
483.30005	0.9
540.41711	1.0
556.53058	1.2
557.34558	100.0
557.53235	2.7
558.35144	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	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05512	2.0
57.03430	1.4
57.07071	0.6
58.07003	0.3
63.02335	0.3
63.80106	0.3
65.03939	0.3
67.05505	8.1
69.07072	1.1
69.13728	0.7
69.14137	1.3
71.08623	0.4
79.05483	2.4
81.07058	5.5
83.08630	0.4
86.09700	0.9
89.03913	6.2
89.06023	0.9
91.05482	1.8
93.07041	2.6
95.04984	0.9
95.08605	4.7
98.60944	0.3
101.04922	0.4
105.06964	0.7
107.08606	0.8
109.10161	1.5
117.03377	15.9
119.08550	0.6
121.10120	0.9
123.11684	0.6
123.15548	0.4
133.10204	0.5
134.03627	1.1
135.04425	0.9
135.11691	0.4
145.02844	41.3
146.03159	0.8
149.05978	5.0
158.06004	0.5
162.03035	0.3
163.03905	0.6
177.05466	100.0
178.05775	1.5
186.05481	2.3
188.91211	0.3
195.06490	1.0
232.36244	0.3
251.09149	0.5
276.78555	0.4
289.25613	0.5
352.51511	0.4
450.70984	0.3
557.34760	4.0
557.53076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06062	0.2
59.42302	0.2
68.16148	0.3
69.23599	1.0
69.23997	0.6
69.93795	0.2
73.83262	0.2
86.09697	0.9
98.22706	0.6
142.34770	0.2
149.06142	0.2
151.72377	0.3
162.95604	0.6
325.62704	0.3
423.31000	0.4
483.33099	0.8
499.22391	1.5
557.36615	100.0
558.29504	0.4
558.36945	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
54.73021	1.1
55.01873	1.9
55.05255	1.7
55.05505	19.8
55.72001	1.1
57.03429	5.6
57.07078	2.3
61.91408	1.1
65.03948	1.9
67.05502	46.4
69.07069	17.0
69.08041	8.0
70.81167	1.0
71.04985	7.0
71.08629	2.4
77.03918	2.1
78.53094	1.0
79.05493	36.7
79.26820	1.1
80.46037	1.0
80.90642	1.0
81.03421	3.9
81.07057	40.2
81.07552	1.9
83.04981	5.2
83.08601	9.7
85.06549	2.9
91.05477	37.3
91.41368	1.2
93.07040	35.6
95.04977	9.0
95.08596	26.7
97.06536	3.7
97.10159	5.6
99.08128	1.8
103.05494	1.8
104.10732	1.3
105.07027	34.6
105.70898	1.4
107.04964	3.7
107.08591	18.1
109.06525	3.6
109.10149	13.3
111.08055	2.7
115.05467	2.6
117.07018	19.0
119.08581	25.9
121.06500	3.8
121.10140	11.1
123.08102	3.4
123.11719	2.9
125.09666	3.1
127.11146	1.2
128.06248	4.2
129.06996	16.4
130.07765	1.1
130.71733	1.3
131.08560	29.5
133.10132	20.7
135.08070	2.6
135.11694	8.0
137.09634	2.4
139.11205	1.4
141.06921	5.8
141.44720	1.1
142.07793	4.4
143.08562	20.2
145.06502	2.0
145.10127	25.3
147.08084	3.4
147.11684	17.7
147.47871	1.1
149.09628	2.5
149.13252	3.3
151.11240	2.6
154.07838	2.4
155.01080	1.8
155.08557	15.6
156.09169	1.4
157.10127	19.0
159.08057	2.4
159.11682	18.7
161.09598	2.3
161.13280	12.2
163.11232	1.6
163.14845	1.3
165.06992	1.3
167.08530	9.0
168.09309	2.7
169.10117	20.0
171.07993	1.2
171.11687	23.6
173.13228	10.3
175.11243	1.7
175.14870	4.4
179.08557	2.3
181.10106	10.4
182.10886	2.5
183.11664	14.3
185.13220	13.2
187.11238	3.5
187.14836	5.0
189.12730	1.9
193.10138	4.2
194.10904	1.7
195.11708	10.3
195.13420	1.8
197.13237	10.5
199.14850	8.3
201.16304	2.8
207.11755	2.7
207.13834	6.0
208.12482	1.5
209.13249	9.7
211.14818	6.8
213.16389	8.1
218.19540	1.3
218.50200	1.2
221.13318	3.4
223.14853	6.4
225.16463	3.8
227.17970	1.3
231.21185	1.5
233.13258	1.7
235.14842	3.6
237.16389	2.7
239.18063	2.4
241.19490	7.0
247.16914	2.0
251.17964	2.3
255.17261	1.1
257.18982	2.0
259.20581	13.6
271.20941	1.6
275.20154	2.5
279.16037	3.4
281.17368	9.2
287.19864	2.0
297.22263	2.3
307.20706	1.9
309.22281	1.3
311.20190	1.7
311.23697	1.5
315.23401	2.1
321.22202	2.0
323.23798	3.4
333.24359	4.2
335.23804	3.2
337.21613	1.6
339.23486	1.9
341.24701	2.3
341.28735	1.3
353.24750	3.2
367.26465	1.9
379.25861	1.5
419.33188	2.4
423.27536	1.8
429.31354	5.7
433.30878	2.2
435.32681	1.7
437.34122	8.9
447.32623	21.7
465.33694	23.6
483.34702	15.8
501.35632	2.6
503.35660	1.8
511.37927	1.7
521.36224	7.6
525.35864	3.5
527.37170	3.3
529.38708	7.8
539.37292	100.0
540.37799	3.8
556.52740	1.5
557.30377	3.2
557.38361	65.4
558.38751	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	558.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16205	0.4
59.94239	0.4
69.43939	1.8
69.64075	0.4
70.06594	0.9
74.02443	0.9
84.08128	0.8
86.82500	0.4
91.05469	1.0
115.05438	1.4
117.05817	0.6
117.06976	1.2
118.06540	17.7
130.06541	2.1
132.08080	5.0
142.06529	1.8
143.07306	1.8
144.08086	12.6
146.06003	64.6
147.06332	1.6
159.09157	5.4
160.07562	1.2
170.06007	4.7
188.07057	100.0
189.07419	2.8
192.06577	1.3
205.09717	46.2
206.10057	1.3
437.23334	0.8
556.68726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05629	0.6
53.03940	0.9
55.01866	0.8
56.18473	0.6
57.03438	0.9
61.02920	0.8
65.03927	1.0
67.05504	1.1
68.99760	0.6
69.03422	2.8
69.77773	2.1
71.04992	0.8
79.05491	1.1
81.03428	5.4
83.01322	1.3
84.08160	3.8
85.02906	6.2
87.00823	2.3
91.05478	16.8
93.07051	7.2
95.04983	0.9
95.08598	2.1
97.02888	3.2
99.04472	1.6
103.04063	0.7
105.01884	1.2
105.07010	1.3
106.04156	0.8
107.04974	1.1
109.02894	4.8
109.06530	6.5
115.05394	0.6
117.07007	3.2
119.06089	4.2
121.06506	100.0
122.06834	1.1
123.08052	1.2
125.05991	4.7
127.03912	6.1
135.08070	2.2
136.11197	0.8
137.06035	1.0
145.04956	1.5
147.08066	0.8
149.05922	0.8
151.07559	2.9
159.02872	1.0
159.08018	1.0
163.07550	1.4
167.07008	5.5
187.11267	0.9
196.08957	0.6
211.11116	0.7
215.10791	1.3
215.12675	0.8
220.13289	3.6
229.12247	2.6
231.05003	0.9
233.11728	4.3
247.13344	0.9
257.11700	5.9
259.13303	5.9
275.12781	67.6
276.13135	1.6
287.12579	0.9
293.13693	3.8
311.16180	0.6
317.13818	8.1
341.13739	0.7
344.75555	0.8
359.14902	2.6
383.14966	7.7
401.15848	1.9
469.15271	0.8
487.15906	2.1
505.16953	1.7
558.27704	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	558.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01868	3.0
55.05510	4.4
57.03429	2.9
57.07071	3.4
59.05003	2.1
61.02917	2.4
67.05502	5.3
69.03439	12.6
69.07079	6.7
71.04979	4.5
79.05502	8.0
81.03407	8.6
81.06710	1.3
81.07068	13.7
83.04961	2.8
83.08617	2.3
85.02908	21.1
85.06542	10.5
85.94044	1.4
87.00837	8.2
87.25648	1.3
89.57085	1.4
91.05459	7.5
92.90005	1.4
93.07047	13.6
95.04947	5.8
95.08610	26.9
97.02908	8.1
97.06537	22.2
99.04450	9.1
105.01858	4.9
105.07033	10.4
107.04926	1.7
107.08595	14.1
108.08904	1.6
109.02867	9.4
109.06503	5.2
109.10158	5.5
111.04417	4.2
111.08080	5.3
113.09637	12.4
119.08569	15.2
119.09311	1.6
119.44120	1.4
121.10145	19.1
123.08086	3.4
123.11714	2.8
125.09607	3.3
127.03919	14.1
128.06216	2.1
129.01772	1.9
129.07033	1.8
131.08578	4.3
133.10133	11.9
135.08066	12.6
135.11682	4.3
137.06039	2.0
137.09633	9.0
142.07744	1.9
143.08546	6.2
145.04851	2.7
145.10114	6.1
147.07967	1.8
147.11682	7.3
149.09625	6.0
149.13223	2.0
151.11147	1.5
153.09145	2.1
155.10649	6.7
156.09436	1.4
157.10132	8.7
159.02896	4.1
159.08055	1.7
159.11728	10.2
161.09641	11.8
163.11140	2.3
165.12692	2.3
167.10654	7.3
169.10173	3.4
171.11690	4.5
173.09628	1.5
173.13245	6.0
175.11156	4.9
175.14821	4.4
177.09018	1.5
177.12700	2.6
183.11668	3.9
184.12527	2.0
187.14786	2.7
191.14380	2.0
193.12283	5.7
199.14832	21.2
201.12755	5.5
207.10181	2.7
207.13760	1.5
213.16347	1.6
214.18050	2.5
215.10670	4.4
215.18005	2.0
217.08986	1.4
217.15877	8.0
219.13789	16.5
231.05005	4.0
233.11723	3.2
233.19046	1.5
237.14818	11.8
239.17944	4.4
250.37500	1.4
257.18973	13.4
275.17007	3.1
275.20065	55.7
276.20786	1.8
293.21112	100.0
294.21432	3.7
303.15875	15.5
308.37360	1.5
311.16510	3.8
329.17532	17.5
361.19995	9.5
421.40414	1.6
460.27786	2.4
523.25781	1.7
541.26599	21.4
543.60565	1.5
558.25964	2.6
558.32971	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	558.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.19086	1.4
55.05511	18.7
57.03437	6.7
57.07073	2.9
59.04998	5.9
67.05508	100.0
68.05824	1.8
69.07066	10.0
71.04981	4.2
71.08630	7.2
74.41284	1.6
79.05491	19.2
81.03411	3.2
81.07058	35.0
83.04972	4.3
83.08625	11.8
85.06532	4.1
91.05478	19.2
93.07051	21.7
95.04980	7.2
95.08611	24.9
97.06535	4.7
97.10149	2.8
99.08099	7.8
105.07039	6.4
107.08605	14.7
109.06494	2.3
109.09417	4.0
109.10162	68.4
111.08080	5.1
117.07018	4.8
119.08591	11.9
121.06516	2.1
121.10144	6.3
125.09633	5.2
131.08598	4.6
133.10139	6.0
135.08113	2.0
135.11694	4.2
137.09637	3.4
145.10153	2.7
147.11682	3.3
147.97795	1.7
149.13312	3.7
151.11163	8.5
155.10680	4.4
157.10106	3.8
159.11627	3.6
161.13226	3.3
163.11230	3.7
171.11739	2.9
173.11752	15.7
179.14284	2.5
187.42131	1.5
189.11330	1.9
195.13672	2.3
227.12772	10.4
229.14351	38.2
238.78284	1.7
246.52483	1.8
251.16603	2.2
259.20639	2.9
269.17526	4.8
277.21725	7.0
327.21652	3.0
351.25256	13.7
369.22653	16.1
383.24368	11.4
399.23682	3.4
407.27866	3.2
423.27399	70.9
505.35126	7.2
558.38989	5.2
559.36530	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	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.7
57.03434	1.4
57.07079	54.6
57.54326	0.7
59.04999	3.1
61.17599	0.7
67.05508	13.4
69.07065	1.7
69.18595	2.3
69.19005	2.0
71.04993	2.6
71.08280	0.9
71.08638	12.3
79.05495	1.5
81.07057	31.9
83.08624	8.5
85.06518	0.9
85.10186	6.2
91.05482	2.1
93.07037	4.5
95.08613	11.9
97.10143	1.5
97.18301	0.7
98.22634	0.8
105.04499	0.8
105.07043	2.9
105.45844	0.7
107.08613	1.6
109.10149	6.3
111.08102	1.7
122.11585	0.7
123.11708	24.8
124.12061	0.9
127.11192	13.1
133.10121	7.0
136.48813	0.7
137.13126	0.7
151.11156	1.7
155.14293	5.4
169.12172	1.1
171.89365	0.8
173.99146	0.7
187.13321	9.8
217.78648	0.9
230.66901	0.7
355.28412	56.7
356.28717	1.5
369.26364	100.0
370.26416	1.8
397.29492	33.6
481.44897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01866	4.8
55.05515	29.5
57.03437	21.3
57.05484	1.5
57.07077	41.8
67.05510	33.4
69.03421	4.9
69.07072	12.5
69.80349	5.5
71.04993	6.3
71.08638	23.1
75.53133	1.4
79.05490	25.0
81.03421	72.6
81.03902	3.4
81.07059	41.5
81.07502	3.0
83.04984	19.8
83.08626	31.9
85.02905	26.0
85.03402	2.2
85.06541	1.8
85.10189	10.8
91.05487	27.3
93.07049	17.1
95.04976	24.1
95.08610	25.9
97.02925	3.3
97.06532	4.5
97.10171	6.4
99.08098	1.7
105.07037	20.8
107.04968	5.6
107.08602	8.3
109.06514	5.2
109.10149	9.6
111.04442	2.7
111.08072	5.6
113.05994	2.9
115.05539	1.4
119.08584	16.2
121.06438	1.8
121.10166	7.1
123.08056	2.2
129.07025	10.0
131.08556	10.5
133.06503	3.6
133.10088	7.6
137.13226	1.6
142.07756	2.9
147.08115	2.3
147.11671	8.5
149.09634	4.3
157.10126	8.8
165.12764	2.8
170.60577	1.5
175.11177	9.2
193.12254	28.3
211.13297	53.9
267.15833	8.1
285.13754	2.9
285.16965	48.7
313.27359	62.8
314.27567	3.5
505.38928	10.4
523.39960	100.0
524.39868	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	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05513	11.6
57.03439	17.1
57.03702	2.2
57.07079	33.5
57.15157	1.2
67.05505	21.8
68.65993	1.1
69.03438	2.6
69.07067	11.6
70.71770	2.3
70.74967	1.1
71.04981	3.1
71.08630	22.3
71.22483	1.2
79.05492	12.7
80.89805	1.3
81.03423	44.8
81.06622	2.3
81.07056	28.3
83.04988	11.1
83.08190	1.9
83.08627	23.8
85.02908	16.6
85.06554	1.5
85.10185	14.9
89.06012	2.8
91.05481	18.3
93.07047	10.1
95.04977	20.3
95.08607	20.8
97.02863	1.9
97.06538	2.1
97.10184	9.4
103.07585	1.5
105.07037	14.0
107.04978	5.4
107.08614	6.2
109.06505	2.8
109.10152	9.1
111.04430	1.7
111.08087	9.2
113.06023	2.5
113.89285	1.2
119.08597	12.4
121.10146	7.2
123.08054	1.9
123.11705	5.4
125.09644	2.1
129.07001	9.9
131.08553	10.3
133.06493	2.1
133.10127	10.4
137.13219	1.6
147.08008	2.8
147.11691	13.4
149.09642	3.8
157.10115	11.7
165.12791	2.4
175.11189	12.6
193.12253	44.2
211.13295	65.2
239.23711	3.1
257.24716	1.9
267.15952	18.6
285.16968	73.2
313.27365	100.0
319.76678	1.3
377.93835	1.7
505.38934	13.8
523.39948	75.8
524.40143	2.0
558.53406	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	559.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48819	0.4
60.62952	0.5
62.88536	0.6
63.22638	0.4
69.16382	2.4
84.08144	3.3
91.05482	0.5
98.23424	1.2
99.59830	0.5
100.11260	0.7
115.05489	0.8
117.07027	2.5
118.07325	0.6
121.06492	0.7
140.23317	0.5
164.63530	0.7
165.09180	0.6
175.11197	0.6
182.15443	0.6
220.13333	1.8
221.13734	0.8
227.05255	1.2
238.58949	0.6
271.04193	4.1
271.06616	0.5
311.08853	0.9
311.12509	16.6
327.67188	0.6
332.10977	0.8
347.08792	0.6
347.13312	0.9
473.17749	4.7
515.18903	35.6
516.19080	0.9
559.17871	100.0
560.18475	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	559.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.3
69.38447	1.8
74.02447	0.6
90.57012	0.5
91.05486	0.7
98.97569	4.4
115.05447	1.2
116.98608	1.7
117.05730	0.8
117.06985	1.5
118.06538	19.1
130.06551	1.7
132.08099	4.3
142.06537	2.2
143.07289	2.0
144.06943	0.9
144.08069	13.0
146.06004	61.8
147.06273	1.1
159.09164	6.4
160.07611	1.3
163.03885	1.4
170.06018	4.8
185.63663	0.5
188.07063	100.0
189.07370	1.8
192.03391	0.7
205.09723	47.5
215.04918	0.6
242.50374	0.5
254.60185	0.5
261.05502	1.6
271.04926	1.0
277.00214	0.6
279.06561	0.8
295.04868	0.6
379.09866	0.8
397.10474	1.2
440.80820	0.6
559.15887	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	559.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
57.56390	0.5
65.03940	7.2
65.78840	0.7
67.05500	0.9
74.51632	0.6
77.03931	1.1
78.04704	1.5
79.05489	9.6
81.03413	0.6
81.07068	1.2
83.01305	0.9
91.05479	64.2
92.05798	0.8
93.06467	1.1
93.07043	14.2
94.76963	0.6
95.04977	4.5
98.22621	1.2
103.05470	7.7
105.04492	1.7
105.07031	25.4
106.04180	1.5
107.04983	3.0
107.08601	0.9
108.05726	1.1
109.06520	11.7
117.06993	0.6
119.05215	0.8
119.06071	8.5
120.05706	4.9
121.06506	100.0
123.08064	5.5
124.05167	1.0
125.06040	0.7
133.06459	0.8
135.04428	8.8
135.08054	76.4
136.05191	3.8
136.08305	0.9
137.05981	3.5
139.07549	4.6
149.05968	0.9
149.07069	1.5
150.06758	42.0
151.07545	40.9
151.08521	0.6
159.08037	0.9
165.09111	62.5
166.09505	1.5
167.07169	0.7
171.08061	0.7
175.07521	1.4
177.09119	1.8
181.06375	0.7
185.05920	0.7
187.07561	1.6
197.06030	0.7
201.09256	0.7
209.09619	1.0
211.07536	0.9
212.08385	0.9
217.08597	1.8
224.08447	0.8
225.05209	0.6
225.09109	1.5
227.10710	0.9
229.26970	0.6
239.06934	0.9
241.08580	1.4
241.12254	0.8
243.10500	0.8
249.79675	0.7
253.08633	2.0
254.09247	1.4
255.10123	2.2
257.11652	0.9
267.10144	0.7
269.08060	1.5
269.11694	2.0
270.11990	1.3
271.09650	2.1
271.13199	2.4
273.07620	2.3
283.09781	3.4
287.09009	2.3
287.12622	1.3
299.09262	0.7
313.10968	0.8
389.13834	1.8
403.15494	1.1
407.14951	3.2
421.16345	0.9
433.16629	1.7
451.17490	1.1
513.22766	1.1
527.47656	0.7
541.22083	5.4
559.23468	4.1
579.93329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3249
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
69.23734	3.0
78.20651	0.5
83.43849	0.6
94.24801	0.6
111.79364	0.6
129.10107	0.5
156.60182	0.5
212.94730	0.6
353.20654	0.6
559.32416	100.0
560.32825	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88337	0.2
52.03173	0.2
55.05515	2.4
57.03428	0.9
57.07079	0.4
57.71867	0.2
58.00624	0.2
63.02399	0.4
67.05505	3.0
69.07072	1.7
69.13713	0.5
69.14135	0.5
70.06580	0.2
77.03934	0.2
79.05485	1.0
81.07054	2.3
83.08617	1.0
88.07623	0.3
89.03912	5.2
91.05448	0.9
93.07079	0.8
95.04969	0.3
95.08601	1.9
97.10184	0.5
102.09180	0.3
103.05448	0.2
104.76041	0.2
106.04186	0.4
107.08612	0.3
109.10159	0.7
117.03377	14.5
117.43367	0.2
121.06431	0.2
121.10168	0.2
134.03636	1.3
135.04419	1.1
135.11656	0.2
137.06035	0.2
145.02846	38.9
146.03186	0.3
149.05975	4.9
158.06032	0.4
162.03152	0.4
163.03903	0.9
177.05466	100.0
178.05818	1.4
186.05507	2.2
195.06508	1.1
220.71188	0.2
233.08159	0.2
251.09155	0.3
256.26242	0.5
257.26767	0.3
265.83554	0.2
501.42526	0.2
559.35956	4.5
559.44031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01873	12.6
55.05257	2.4
55.05512	36.0
57.03448	8.7
59.04993	1.6
61.48456	1.4
65.03944	3.3
67.05157	3.4
67.05508	53.0
69.03434	4.0
69.07068	27.5
71.05014	3.8
75.34084	1.5
77.03952	1.5
79.05498	60.9
81.03423	51.5
81.07058	55.1
83.04988	11.8
83.08627	23.1
85.02914	15.8
85.06570	2.7
90.26012	1.5
91.05481	56.2
93.07047	37.7
95.04971	24.7
95.08608	28.3
97.06533	18.1
97.10165	11.7
103.05519	2.8
105.04547	3.8
105.07033	56.0
107.04969	15.2
107.08602	40.4
109.06508	9.8
109.10173	14.8
111.04446	3.5
111.08077	9.5
113.09709	2.1
115.05426	3.6
117.07024	18.3
119.08577	32.3
121.06522	4.9
121.10144	13.4
123.08088	7.1
123.11719	4.1
125.09607	11.6
128.06206	3.9
129.07002	14.5
131.08571	28.7
133.06529	3.6
133.10124	27.4
135.08067	6.7
135.11746	4.8
137.09630	4.2
141.07022	3.9
142.07773	3.7
143.08568	8.5
145.06499	5.0
145.10123	25.3
145.11198	2.0
147.08089	5.1
147.11697	23.8
149.09616	18.5
149.13297	1.7
155.08592	5.9
157.10132	13.7
159.11703	11.1
161.09654	3.0
161.13327	3.6
163.11182	10.9
165.12729	2.4
166.69733	1.4
167.08621	2.0
169.10191	5.7
171.11682	7.6
173.09686	2.2
173.13290	5.1
175.11205	11.5
177.12822	4.1
179.14320	7.9
183.11751	6.4
185.13330	3.8
187.11209	2.6
187.14876	2.2
189.11345	7.4
189.12747	1.9
193.12253	31.8
195.11639	2.1
197.13269	4.2
199.11160	1.9
201.12665	1.7
203.14072	1.6
205.12364	2.1
209.13420	2.6
211.11392	3.3
211.13272	31.3
211.15047	2.5
227.12903	7.0
229.14232	2.3
229.19626	4.0
233.15456	1.8
239.18044	3.8
247.20811	2.6
257.19064	12.8
267.15875	21.7
273.18570	1.9
275.17087	2.5
275.20084	49.6
275.22897	2.7
283.73492	1.7
285.17090	4.6
291.10373	1.9
291.19843	1.7
293.21112	3.3
299.20151	5.1
313.21930	2.1
315.23285	3.5
317.21362	2.6
331.22717	4.9
349.23685	12.1
431.29279	4.2
445.29712	1.6
449.30557	5.3
467.31677	6.0
485.32767	3.6
487.31409	1.6
523.34564	5.3
541.35181	34.7
559.36346	100.0
560.36633	3.4
583.96716	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01873	10.9
55.05256	2.9
55.05515	51.3
57.03451	9.4
57.07058	4.0
65.03941	1.8
67.05161	3.2
67.05506	54.3
67.66296	1.9
69.03438	3.9
69.07074	19.9
71.04984	5.5
71.07375	2.7
71.08612	2.3
75.55809	1.4
75.93249	1.4
77.03923	2.0
79.05495	51.1
81.03423	15.0
81.06570	2.5
81.07054	48.0
83.01339	4.3
83.04992	12.1
83.08627	20.1
85.02902	4.4
85.06539	3.0
86.09708	10.7
87.10055	3.3
91.05486	53.9
91.06061	2.9
93.07049	45.4
95.04967	15.6
95.08032	2.3
95.08609	27.5
97.02908	2.4
97.06553	7.6
97.10168	30.1
98.22601	3.6
99.04462	1.9
99.08051	2.5
103.05470	3.1
105.04512	2.8
105.07032	47.3
107.04952	7.5
107.08595	33.9
107.09264	3.0
109.06516	7.7
109.10170	15.2
111.04485	1.8
111.08084	4.9
115.05465	4.5
117.07024	28.2
119.08583	36.5
121.06528	5.4
121.10146	15.5
123.08073	7.5
123.11739	2.1
125.09634	22.8
128.06248	5.0
128.72214	1.7
129.07014	18.8
130.07817	3.5
131.08572	36.1
133.06509	2.9
133.10126	27.7
135.08047	8.4
135.11674	10.1
137.09592	2.7
141.06987	5.9
142.07825	3.5
142.29413	1.8
143.08554	24.0
144.09344	1.6
145.06490	2.5
145.10143	32.3
145.32651	1.7
147.08083	3.3
147.11685	23.8
149.09625	4.5
149.13274	4.5
153.09061	1.9
153.12761	2.7
155.08537	9.4
157.10158	20.0
159.08095	3.2
159.11702	19.5
161.13239	12.0
162.95589	10.9
163.11212	12.9
167.08594	3.3
169.10126	8.6
171.08156	2.2
171.11653	16.9
173.09584	3.3
173.13228	13.4
175.11165	3.9
175.14861	4.9
181.10139	6.2
183.08173	1.8
183.11598	7.9
185.13263	10.4
187.11157	2.7
187.14822	5.6
189.11250	12.3
189.12650	3.2
191.10648	3.6
193.10182	2.7
193.12236	3.4
195.08127	1.5
195.11775	4.2
197.09706	1.8
197.11601	1.7
197.13211	8.2
199.11205	1.7
199.14757	8.1
201.12802	2.5
201.16522	2.5
207.11835	2.4
209.13333	4.4
211.14951	2.9
213.16438	3.1
217.19615	1.9
221.13263	1.7
223.14926	2.6
227.12752	25.7
229.27602	1.9
231.21025	2.0
235.14792	2.0
241.15942	2.0
241.19489	8.4
245.13918	2.9
257.19080	4.8
259.20584	24.7
267.15811	3.3
269.22729	3.1
271.20554	2.4
273.18488	1.8
275.20093	5.6
281.18924	1.9
283.15396	21.3
285.22058	3.8
287.23599	1.7
291.19647	3.0
295.20313	2.3
297.22159	16.0
315.23160	17.1
331.22891	2.0
333.24164	13.0
371.25638	2.7
421.31174	3.5
431.29523	6.4
449.30682	13.3
457.33569	1.8
467.31546	15.6
485.32285	12.7
487.31512	1.8
500.22595	17.7
513.35590	6.7
523.34192	11.0
527.37384	3.5
531.36957	3.3
541.35229	100.0
542.35614	4.8
559.36420	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82125	0.3
53.03938	0.3
54.87362	0.3
55.01876	0.5
55.05511	5.0
57.03436	0.7
57.07077	18.9
61.02924	0.4
61.56277	0.3
64.68909	0.3
65.03936	0.5
67.05505	0.4
69.03431	1.3
73.02936	0.5
73.06559	1.2
79.05478	0.4
81.03423	2.0
81.07063	0.5
83.08572	0.4
85.02907	3.0
87.00829	1.7
91.05476	1.1
93.07029	0.7
95.04966	0.4
95.08595	0.6
97.02907	1.4
97.53105	0.3
99.04415	0.7
105.01871	0.9
109.02874	1.2
119.08598	0.7
121.02872	2.3
121.03889	0.5
121.10117	0.4
127.03927	1.5
129.06987	0.5
131.08577	0.7
145.04968	0.8
149.02342	100.0
150.02631	0.8
159.02869	0.6
161.05963	1.4
167.03458	1.1
175.07555	4.6
202.26280	0.4
203.07024	6.5
205.08615	11.1
212.16437	0.4
221.08096	1.3
223.09637	0.5
231.05070	0.5
258.16983	0.6
277.14346	44.6
278.14722	0.6
289.18182	0.5
295.15405	4.2
363.21521	1.0
398.15796	0.3
457.75922	0.3
542.34943	0.3
552.38202	0.4
575.41547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52101	0.8
53.03951	4.1
55.01870	1.2
65.03939	2.6
67.05495	5.2
69.03101	0.9
69.03434	3.7
69.07087	1.0
69.51908	2.8
70.06588	1.0
71.04996	1.7
79.05495	1.2
81.03419	8.0
82.04218	1.0
84.08158	0.9
85.02902	6.3
87.04492	1.4
91.05473	3.1
93.03396	1.5
95.04969	19.1
97.02888	3.0
97.06536	18.9
98.23384	1.8
99.68697	0.8
103.05518	1.1
105.04516	1.7
107.04991	0.9
108.02100	1.6
108.08098	0.8
109.02859	1.7
109.06528	1.0
111.04445	1.5
112.05234	1.1
115.03938	4.2
119.04953	7.3
119.70786	0.9
121.06514	1.3
123.04432	15.6
124.05217	1.1
125.06002	5.4
127.03928	3.3
127.07560	100.0
131.04907	1.8
133.04962	1.9
137.05954	7.5
140.04680	5.2
143.51666	0.8
145.04929	1.4
147.04417	9.8
149.06009	2.0
150.09215	1.9
151.03929	9.5
151.07568	4.7
151.09523	1.0
155.07039	32.6
161.05957	2.4
162.06752	1.0
163.07550	0.9
165.05513	1.0
167.07048	78.9
168.07573	1.5
179.07047	8.3
183.06537	99.2
191.07034	1.1
207.06503	0.9
223.07561	2.0
255.10185	4.5
256.10837	1.4
277.09198	2.0
287.12814	7.9
309.09888	1.0
313.10657	4.1
315.12326	5.4
333.13104	1.1
336.35281	1.0
345.13452	4.3
391.17288	1.0
529.66083	0.9
560.20184	2.2
560.27026	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	560.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05505	2.4
57.03438	17.0
59.61333	1.9
61.02927	6.4
69.03432	19.0
71.04996	4.8
71.46254	2.3
73.02910	3.4
73.06555	4.7
80.39272	1.9
81.03417	5.6
84.08143	2.6
85.02907	73.0
87.85313	2.1
91.03951	3.9
91.05470	4.9
97.02892	23.8
99.04459	6.0
105.07018	2.4
109.02892	8.8
117.06998	12.1
127.03922	21.4
128.06230	9.7
128.39328	1.9
129.06999	69.9
131.08578	13.8
141.06996	32.1
143.08563	100.0
145.04985	21.1
145.10152	6.9
155.08542	3.7
157.10141	8.5
163.06071	3.6
183.11700	31.5
185.13264	5.6
186.09029	2.1
201.12749	86.8
202.13206	2.2
203.14243	4.1
219.10193	4.1
219.13783	34.8
222.98543	2.3
232.29489	2.6
295.15530	2.9
300.15979	2.8
312.16586	4.2
332.82907	2.3
363.17941	5.0
381.18961	14.1
428.26712	2.7
454.22342	2.3
560.29211	7.3
561.40137	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	560.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05511	1.3
65.03936	0.8
67.05502	2.8
69.03429	2.1
69.07071	1.7
69.08636	2.3
69.09039	0.9
70.06590	2.8
71.04990	6.1
79.05493	1.8
79.59305	0.4
80.05016	1.4
81.03406	0.6
81.07078	1.5
82.06592	0.7
83.01336	0.9
83.04998	1.9
83.07378	0.6
84.08131	2.2
85.02921	0.9
85.06540	2.2
86.06075	0.9
86.52312	0.5
91.05485	1.5
93.07037	1.5
94.06577	1.6
95.04981	1.3
95.08607	5.1
95.97435	0.4
96.08146	2.0
97.02916	0.6
97.06542	1.7
99.04479	1.3
99.08092	0.8
105.07033	2.0
106.06602	0.5
107.08615	1.4
108.08097	0.7
109.06513	0.6
110.09683	0.8
111.04454	0.9
111.08094	0.8
113.06035	1.3
115.03924	1.1
115.20434	0.5
117.06979	0.5
119.04989	0.6
119.08587	1.7
120.08160	1.1
121.06506	1.2
121.10153	0.7
122.09672	3.2
123.08070	1.0
124.07629	1.3
124.11253	1.0
125.06023	0.6
127.03912	1.4
128.07097	1.1
129.05528	0.5
129.07014	0.5
131.08598	0.9
133.06569	0.5
133.10161	0.9
134.09601	2.1
135.08015	0.7
136.11221	2.0
137.05986	0.8
139.03893	0.8
141.05493	0.4
141.06973	0.6
145.10155	0.6
146.09595	0.8
147.07977	0.5
147.11740	0.7
148.11208	0.8
149.02376	1.3
149.06004	1.1
150.09166	2.5
152.10704	3.6
153.05499	1.5
153.09100	0.7
154.12271	0.7
157.10104	0.6
159.08060	0.5
161.09615	0.8
162.12828	1.0
164.14366	7.3
167.03426	0.4
168.10222	1.7
173.09604	0.7
175.14696	0.5
179.07045	1.2
180.10231	2.7
182.11749	7.0
184.13333	0.6
186.12872	0.6
187.11497	0.5
188.10703	0.6
188.14424	0.6
189.09158	1.2
190.12283	0.7
191.10707	0.6
198.11276	2.4
201.09195	0.5
202.12198	0.5
203.14240	0.5
205.12376	0.5
206.11777	0.8
208.13463	0.5
219.10217	0.9
226.12291	1.5
227.12976	1.1
231.10117	0.6
232.13411	0.6
233.11797	0.8
233.14040	0.7
234.14955	1.5
236.16441	1.1
237.07619	0.8
249.11168	1.1
249.14975	1.0
253.10741	1.1
255.12495	0.7
259.20468	0.5
260.16519	2.0
262.17990	4.1
264.19757	0.7
265.07010	2.4
276.16083	1.6
278.17502	0.6
290.17535	1.9
291.12286	0.7
294.17053	6.0
295.11893	0.5
295.15390	0.5
300.12314	1.1
313.03397	0.8
322.16553	5.0
322.20169	1.2
355.08151	0.7
388.21262	2.0
398.15955	11.0
399.10800	3.0
440.60263	0.5
462.24985	1.5
505.50638	0.4
510.24942	0.8
514.24475	1.9
517.20428	0.6
525.27679	0.5
528.25928	5.3
560.16473	3.3
560.28552	100.0
561.19287	2.9
561.28857	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01875	6.8
55.05512	16.8
57.03441	15.5
67.05511	18.2
69.03433	3.0
69.07088	6.5
71.04995	2.6
79.05494	24.2
81.03422	60.5
81.07070	18.1
81.41728	1.4
83.01354	6.3
83.04984	12.2
83.08622	16.6
85.02922	1.6
91.05486	21.9
93.07050	23.3
95.04975	20.9
95.08635	9.0
97.02934	2.4
97.06539	3.8
97.10185	6.8
99.04438	2.6
99.08088	1.6
105.07035	14.7
105.81983	1.4
107.04966	12.6
107.08592	13.2
109.06525	8.6
109.10158	5.3
111.04449	3.6
111.08056	8.7
117.07011	7.5
119.08589	17.4
121.06525	6.4
121.10168	5.7
123.08089	8.7
125.09637	4.9
129.06990	7.8
131.08591	8.2
133.06477	3.0
133.10149	6.1
135.08104	2.2
135.11646	8.7
137.09636	2.8
142.07744	1.7
145.06516	2.2
145.10155	10.5
147.08026	3.1
147.11731	4.9
149.09671	3.2
153.12726	2.7
155.08525	2.2
157.10068	7.1
159.08148	1.6
161.05975	1.9
163.11201	14.3
165.12810	1.4
173.09663	4.3
175.11209	6.2
181.12289	2.5
189.09090	1.4
189.11273	1.9
191.10675	1.7
193.12256	15.1
196.36490	1.4
197.70232	1.5
209.11734	3.0
227.12874	6.2
231.13748	2.6
267.15915	52.4
283.15405	43.1
284.15659	1.6
289.14273	3.0
321.59006	1.3
355.22321	2.1
365.21249	2.9
379.03275	1.3
383.22171	24.2
401.23251	10.1
421.23666	1.8
433.81470	1.6
439.25006	3.8
457.25821	29.5
458.26154	1.7
475.26929	100.0
476.27213	4.5
493.27936	7.6
536.80243	1.8
542.35321	2.6
560.36505	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	560.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54544	1.2
53.03949	2.5
55.01870	7.3
55.05516	16.0
57.03442	14.1
63.81736	1.2
65.58781	1.2
67.05505	16.6
69.03429	2.3
69.07074	4.8
69.49506	3.2
69.49879	3.4
71.04996	2.6
79.05500	23.1
81.03422	57.1
81.07064	19.8
83.01361	3.9
83.04984	11.3
83.08627	17.8
85.02892	2.3
85.06545	1.5
91.05477	15.5
93.07041	19.4
95.04965	19.5
95.08610	9.9
97.02924	2.6
97.06538	6.7
97.10181	6.0
98.66154	1.4
105.07035	15.5
107.04963	7.8
107.08604	11.9
107.09265	1.9
109.06533	6.3
109.10175	4.7
111.04450	2.6
111.08084	5.8
115.05450	1.3
117.07026	4.6
119.08588	14.9
121.06511	4.6
121.10108	7.5
123.08057	8.0
125.09612	5.0
128.06247	1.6
129.07028	6.1
131.04967	1.4
131.08557	9.1
133.06506	2.2
133.10136	5.1
135.08090	1.9
135.11685	6.5
141.07031	1.7
142.44110	1.3
143.08493	1.8
145.10146	10.0
147.08052	3.8
147.11702	3.7
149.09618	4.4
153.12782	2.0
155.08597	3.0
157.10109	7.5
161.05983	3.6
163.11192	13.3
165.12767	2.4
171.07980	1.3
173.09583	3.4
175.11241	5.7
181.12257	3.2
189.11301	1.6
191.10620	1.5
193.12227	11.8
205.12283	1.6
209.11748	2.2
211.13388	1.6
223.14952	1.4
227.12833	3.7
231.13773	3.2
249.15027	1.6
267.15912	50.7
268.16354	1.5
269.15222	1.7
271.13345	1.4
283.15402	36.0
289.14410	2.2
355.22781	2.0
365.21057	4.3
383.22089	20.9
401.23221	8.3
419.24176	2.2
431.24100	2.0
439.24835	1.8
457.25851	31.5
475.26929	100.0
476.27258	3.6
493.27832	8.0
560.37213	2.2
572.09229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28388	11.9
52.95604	9.4
55.01859	15.8
55.05510	47.1
57.03428	14.2
57.07103	14.0
60.25956	11.3
66.92562	10.0
67.05506	100.0
69.07069	17.7
69.76085	12.0
69.76421	36.4
79.05501	73.1
81.03429	34.1
81.07066	75.4
83.04958	17.1
83.08626	33.2
85.38620	11.9
91.05498	53.4
93.07046	78.5
95.04992	32.2
95.08621	58.0
97.10159	17.3
105.07059	37.2
107.08606	47.9
109.06496	23.4
109.10171	64.0
117.07037	19.9
119.08587	34.9
121.10164	35.5
123.11726	22.3
125.09665	18.3
131.08586	17.5
133.10164	21.6
135.11725	22.6
145.10144	22.5
147.11673	15.8
149.13297	15.8
157.10190	14.0
159.11728	23.7
163.14777	16.3
195.24619	13.4
211.13295	14.7
243.21167	32.4
252.34387	12.3
261.22089	61.7
267.16016	13.4
299.07104	15.7
335.25934	20.7
351.24982	13.6
353.26892	35.8
371.24069	13.5
383.24765	14.9
384.20200	15.6
542.35443	23.6
543.36865	20.6
560.28491	18.3
560.37115	38.6
561.38477	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80082	1.5
53.03953	2.1
55.01870	1.9
55.05509	49.9
57.03424	6.9
57.07075	59.7
60.37209	1.5
62.73539	1.5
67.05502	19.9
68.77761	1.6
69.03403	2.6
69.07069	18.9
69.18404	9.3
71.08631	55.8
79.05495	14.4
81.07056	48.3
83.04970	3.5
83.08614	18.6
85.10181	25.3
89.06028	2.4
93.07031	3.6
95.08605	40.8
97.06487	1.8
97.09604	2.3
97.10171	30.4
103.07594	1.9
105.87090	2.0
107.08587	10.5
109.10146	3.7
123.60328	1.5
125.09640	24.6
127.11192	4.2
135.11703	3.9
137.13258	4.6
143.10689	12.0
155.14317	17.7
173.15402	3.1
199.13284	11.8
229.17990	47.1
229.20291	2.7
250.71869	1.8
353.22531	3.3
353.26834	57.1
354.27090	3.1
355.28424	16.8
371.27914	16.6
381.29919	5.8
383.31540	100.0
384.32211	2.1
424.80453	1.8
525.40802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26254	22.2
69.07681	20.3
69.18000	100.0
69.18413	46.2
70.45159	23.3
164.92552	22.7
327.25168	26.5
347.32990	24.9
509.48392	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	25.8
55.46852	2.2
57.03429	4.9
57.07077	100.0
67.05505	22.1
69.07065	8.3
71.08620	19.0
78.33022	2.3
79.05492	10.2
81.07063	20.2
83.08624	13.3
85.10175	13.1
95.08601	21.1
95.76796	2.3
97.10167	21.2
107.08585	5.4
109.10153	14.5
123.11748	2.4
125.09614	14.8
127.11201	21.1
137.76715	2.7
170.43654	2.5
183.17429	5.7
199.13286	6.0
201.14839	13.8
257.21060	10.5
325.23724	25.8
325.27469	3.8
327.25305	9.0
343.24741	9.7
353.26730	8.3
355.28714	2.9
381.30008	19.6
383.31567	62.3
525.41040	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	561.1945
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
69.19209	3.6
70.06608	1.2
73.96661	0.6
91.05491	4.1
119.04926	3.7
130.16006	0.5
135.04407	0.6
147.04413	2.2
163.03952	1.4
174.15239	0.6
175.03911	4.7
207.06522	10.4
227.05350	0.6
245.06427	0.9
255.13863	2.1
295.13211	0.6
313.14099	2.2
341.13528	1.6
457.18439	1.3
475.19318	10.5
485.13126	0.7
499.19681	2.0
517.20453	25.4
518.20898	2.1
543.18280	1.7
561.19391	100.0
562.19702	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	561.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52837	0.4
56.78189	0.5
63.18051	0.6
67.98201	0.4
69.69287	0.4
70.06593	1.0
71.21813	0.5
72.76157	0.4
83.08628	0.6
91.05477	3.5
95.01089	0.4
100.11278	2.1
105.07043	1.0
105.40205	0.4
111.04367	0.5
130.09827	0.5
137.06044	0.5
140.07141	0.5
143.90962	0.4
155.11124	0.4
161.05785	0.7
170.15416	0.9
182.15439	0.8
185.04243	0.5
203.05270	0.9
210.14951	1.0
227.05275	0.6
243.04741	0.8
245.06329	1.6
255.13815	4.7
286.85135	0.4
295.13028	0.5
313.14160	3.2
323.88150	0.5
341.13651	1.1
383.13022	0.5
387.08887	1.0
426.14886	0.5
457.18301	1.5
475.19391	18.1
499.18903	0.6
501.31909	0.5
517.20453	35.5
518.20941	1.8
561.19403	100.0
561.39349	2.8
562.19824	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	561.248
Annotation	Isomorellic acid
Peak:m/z	Relative Intensity
53.03957	1.1
55.01863	1.0
55.03430	0.8
58.81725	0.8
62.37611	0.9
67.05483	1.0
68.05011	2.2
68.72425	0.8
69.03427	4.6
71.04991	1.3
71.08627	2.1
71.45487	1.3
73.01125	1.7
74.00665	5.0
79.05493	2.6
81.03420	28.5
81.07054	3.9
82.03005	0.9
83.01352	5.6
84.08158	1.1
85.02934	1.3
86.06060	2.2
88.02224	1.1
88.03993	2.3
91.05484	3.3
93.07056	4.0
95.04976	4.0
97.06520	1.3
99.02661	1.2
99.04478	2.1
99.08132	1.2
100.02206	16.0
101.00792	0.8
107.04963	3.1
109.06529	4.0
111.08109	3.6
114.12830	2.5
115.03947	3.8
118.03216	1.4
120.01178	6.7
121.06525	4.2
123.08086	1.2
124.11238	11.1
125.04247	1.2
126.09171	0.9
127.03939	3.5
129.07008	1.1
130.06458	0.9
131.08539	1.4
133.06482	1.0
135.04411	5.3
137.06012	2.4
137.09612	1.0
138.03760	1.4
139.07561	3.8
141.05505	1.1
142.12273	28.1
143.03407	3.6
143.07269	1.3
144.08165	1.8
145.03200	2.2
146.02716	14.4
147.08092	1.6
151.07585	1.0
153.03703	2.1
153.05495	1.4
155.03336	2.5
155.07054	3.7
159.08070	1.1
161.09659	1.4
164.14447	1.0
167.07079	2.6
172.11244	1.9
175.07565	3.8
179.06978	1.3
180.08470	3.5
181.37935	1.0
182.15390	9.0
183.06526	2.4
186.09166	1.2
186.12787	9.1
187.07646	2.0
188.07199	1.0
189.09138	2.4
193.08656	1.0
195.06602	2.9
197.08147	4.3
200.14375	1.3
203.07072	2.6
207.06561	3.3
207.10046	1.0
214.16039	2.0
215.16847	1.8
216.04100	1.0
217.08670	3.2
219.10240	0.9
221.08119	1.6
226.15865	1.1
235.09740	4.1
242.15437	4.1
245.08145	1.2
247.09639	1.4
260.16553	1.3
263.09216	5.5
266.11710	1.3
281.10434	1.1
296.18658	4.2
309.17291	3.8
320.10010	1.2
368.18652	3.8
385.09753	1.5
386.19635	35.7
402.12244	4.0
404.20685	13.3
422.21838	7.2
424.58380	1.0
436.17923	2.3
525.23126	6.4
543.23755	37.6
544.23987	2.3
561.24805	100.0
562.25079	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.7
52.07339	2.1
53.03945	6.0
55.01883	6.8
55.05517	31.0
57.03443	18.0
57.07076	6.8
65.03939	3.2
67.05510	82.6
69.03430	4.8
69.07088	30.4
71.04996	8.8
71.08641	35.8
79.05495	81.8
79.05953	4.9
80.10419	2.4
81.03424	67.6
81.07062	80.5
83.04987	12.5
83.08627	33.7
85.06551	4.7
91.05484	56.7
93.06453	4.7
93.07048	99.0
95.04968	34.7
95.05527	3.4
95.08607	75.8
97.02892	5.0
97.06540	10.7
97.10184	9.4
99.04451	2.9
99.08102	25.6
105.04519	4.5
105.07030	44.1
106.07403	2.6
107.04949	20.2
107.08601	66.9
109.06554	8.7
109.10172	18.6
111.04458	2.8
111.08086	6.8
113.09666	3.1
115.07613	2.6
117.07038	20.4
117.07833	2.9
117.96351	2.0
119.08585	33.5
121.00056	2.2
121.06522	7.5
121.10137	39.7
121.10962	2.4
123.08105	5.4
123.11710	5.4
124.61717	2.0
125.09670	3.1
129.07004	11.5
130.07896	2.4
131.08556	18.5
132.43288	2.3
133.06503	2.7
133.10138	21.7
135.08055	5.3
135.11702	55.9
137.09653	3.6
137.13289	3.8
142.07747	4.2
143.08562	8.0
145.10139	35.8
147.08066	2.6
147.11693	17.1
149.09634	5.4
149.13261	12.5
151.11192	16.1
153.12808	2.2
157.10095	11.4
159.11754	10.5
161.13280	16.6
163.11194	47.8
163.14841	5.7
164.73325	2.3
165.12761	2.9
171.11699	3.9
173.13322	6.5
175.11166	5.5
175.14856	4.3
177.12706	3.9
177.16412	4.4
179.14313	40.4
181.12273	8.3
189.12785	3.9
193.12283	13.6
195.13815	2.7
209.11717	2.9
221.15410	2.6
227.12791	75.2
241.19626	4.1
243.21074	12.7
249.14935	2.5
259.20731	3.6
261.22122	20.0
267.15912	62.0
275.20087	2.3
277.21646	56.6
283.15414	50.9
283.18121	1.5
295.22580	10.8
317.24756	6.3
335.25839	55.2
351.25342	30.1
469.33218	4.8
543.28497	5.0
543.36835	100.0
544.36871	5.9
561.38245	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20481	1.8
53.03957	3.7
55.01865	8.2
55.05512	35.5
57.03430	7.5
57.07088	3.2
59.05007	2.8
62.29156	1.7
65.03948	2.8
67.05506	41.7
69.03421	3.3
69.07073	13.2
71.05009	4.6
71.08622	3.1
79.05490	35.3
81.03406	12.4
81.07056	38.9
83.04981	9.9
83.08629	20.8
85.02927	2.1
89.29283	2.0
91.05476	33.0
93.07042	36.1
95.03623	1.9
95.04977	9.5
95.08592	23.4
97.06548	5.7
97.10173	27.8
98.23512	4.0
99.08082	2.9
105.04524	3.2
105.07028	27.8
107.04943	4.0
107.08598	32.6
109.06492	2.1
109.10166	17.7
111.04462	2.7
111.08049	3.5
117.07029	16.4
119.08575	22.7
121.06506	2.5
121.10159	14.7
123.08118	3.1
123.11729	3.4
125.09630	22.5
127.02722	1.8
129.07024	10.5
130.07756	1.8
131.08565	20.8
133.06516	1.8
133.10118	12.8
135.08084	5.3
135.11694	11.7
141.06964	1.9
143.08571	6.8
145.10126	16.4
147.08098	3.0
147.11723	10.2
149.09529	2.3
149.13268	7.0
153.09096	2.9
153.12794	3.1
155.08600	4.6
157.10141	6.2
159.08044	3.2
159.11719	10.2
161.13263	9.2
163.11200	6.0
163.14833	2.2
169.10123	4.1
171.10205	2.5
171.11684	6.7
173.09651	2.0
173.13292	8.1
175.14841	5.1
177.12772	2.4
179.14310	4.2
181.12169	2.0
183.11766	3.0
185.13266	5.4
187.14912	5.7
189.11215	14.2
191.10771	2.2
193.12215	4.5
195.11749	1.9
197.13219	2.4
199.14790	3.7
201.16399	2.5
209.13364	4.0
211.14966	2.8
213.16388	2.8
215.61060	2.1
227.12766	30.9
243.20978	1.9
245.13913	2.6
250.28595	2.0
259.20645	4.7
261.22089	5.0
267.15964	8.7
271.24191	2.5
275.20078	3.7
277.21698	10.6
283.15350	2.8
299.23694	15.3
317.24661	12.4
335.25836	6.5
353.24960	2.2
423.32333	3.0
433.30695	5.6
451.32196	12.5
469.33316	10.2
487.34222	10.8
515.37274	7.8
517.34869	2.6
525.35773	16.4
543.36847	100.0
544.37311	7.6
561.37921	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.8
55.05508	4.4
62.92239	1.4
63.36436	1.6
67.05509	8.1
69.07071	4.3
69.68445	3.5
71.05010	1.6
71.08640	2.0
79.05483	12.8
81.03424	6.5
81.07058	8.2
83.04971	2.3
83.08624	4.0
85.02901	2.9
91.05489	12.9
93.07041	8.4
95.04969	6.6
95.08614	6.4
98.23437	2.2
103.05488	2.6
105.04505	1.6
105.07038	11.6
107.04962	21.0
107.08616	4.3
109.10159	3.6
117.07048	4.2
119.08587	5.6
121.06531	6.7
121.10139	2.4
125.09630	3.3
128.06229	2.0
129.07042	3.7
131.04918	1.7
131.08577	2.4
133.06500	2.9
133.10114	1.9
135.08041	4.9
135.11665	2.2
138.49548	1.6
149.09593	3.2
151.07527	9.5
151.11143	2.1
152.08310	2.7
153.09135	3.1
161.05905	1.9
163.07562	4.5
164.08304	2.0
165.09103	17.2
179.10648	10.5
179.14247	2.0
191.66418	1.5
193.12236	2.9
199.07544	2.7
211.04059	1.4
211.13400	2.8
213.05260	2.4
217.08615	2.3
227.07056	6.3
227.12843	1.5
239.07170	2.5
254.05862	1.8
255.06451	3.1
259.06012	1.9
259.09564	2.9
269.08203	4.5
277.08817	1.5
277.21606	3.0
278.21930	1.5
301.08466	2.4
305.11676	1.8
315.10144	2.7
319.09702	3.0
321.11044	2.0
331.09683	2.3
333.11249	3.7
361.10748	3.1
393.13361	11.5
395.95941	1.7
407.14709	2.3
481.16077	2.1
485.19669	8.1
513.19055	17.8
544.37299	5.3
545.21716	100.0
546.22113	6.7
561.38281	2.0
562.38782	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	562.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01842	0.7
57.03428	1.0
57.74033	0.6
61.02926	0.9
61.10313	0.6
61.28104	0.6
64.90424	0.6
67.41899	0.5
69.03417	2.8
69.07062	3.9
69.50975	2.0
69.51389	1.3
70.06570	1.6
71.05008	0.8
81.03393	0.8
81.07044	1.0
85.02913	8.9
89.01854	0.6
91.05484	3.3
92.05764	0.8
93.07011	0.7
95.04948	0.8
97.02895	1.8
99.08112	0.8
108.16067	0.7
109.02865	1.2
109.06507	2.0
114.38590	0.6
115.05479	3.8
117.07018	27.7
119.04951	2.6
120.05219	1.1
121.06527	0.7
123.04428	40.6
127.03909	1.8
137.05981	7.0
145.04878	0.7
147.04391	2.4
153.05423	1.2
159.08058	0.7
161.09622	1.5
163.03914	2.0
163.07451	0.9
164.04321	0.8
165.05472	73.7
166.05807	0.8
175.03915	2.5
176.04253	1.1
177.09090	1.7
179.07047	0.8
179.10664	14.1
207.06516	5.1
208.06902	3.9
219.10106	0.9
219.76601	0.6
221.11722	100.0
222.12082	1.6
263.13947	1.1
277.17944	0.6
295.33078	0.7
357.99173	0.7
562.31470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01868	0.9
55.05497	1.4
57.03432	0.7
65.03944	0.5
67.05490	1.4
68.99789	1.1
69.03429	33.6
69.07073	0.5
69.39127	1.6
70.06570	0.6
71.04981	0.7
79.05474	1.3
80.05025	1.0
81.03416	1.0
81.07052	1.5
83.01345	0.7
83.04970	3.4
83.08610	0.5
84.08111	0.5
85.02910	2.9
86.06065	1.4
91.05462	2.9
93.07050	4.2
94.06596	0.5
95.04954	1.2
95.08590	1.1
96.08166	0.7
97.02894	3.2
97.06516	1.2
98.06037	0.4
98.23417	0.8
99.04457	0.8
105.07047	1.5
106.06545	0.8
107.08578	0.9
109.02852	0.7
109.06508	0.6
110.09642	0.5
111.04417	2.9
111.08081	82.4
112.08400	1.0
113.06000	1.5
115.03964	0.7
117.06997	1.4
119.04938	0.8
119.08582	1.7
120.08108	0.9
121.06547	1.0
122.09666	1.3
123.04421	0.9
123.08090	0.7
124.07551	0.7
125.06009	0.8
127.03856	2.2
129.05450	0.9
129.06966	0.7
131.08534	0.6
133.10167	0.7
134.09668	2.7
135.08049	0.6
136.11224	1.7
137.05994	1.9
138.09135	1.2
139.03873	1.4
139.07541	23.3
140.07866	0.5
143.08553	0.9
145.04976	0.9
145.06487	0.5
145.10168	0.7
147.08076	0.7
147.11665	0.5
149.05995	1.2
150.09137	1.5
151.07573	1.5
153.01813	1.2
153.09085	0.6
155.07025	1.0
157.04955	1.0
159.08098	0.5
161.06065	0.7
161.09648	0.5
162.09230	0.5
162.12709	0.5
163.07530	0.9
167.03435	0.7
167.07101	0.5
168.10271	1.0
171.08084	0.6
174.18581	0.9
175.07584	0.5
175.11205	0.8
179.07062	1.3
183.03279	0.4
187.07460	0.7
187.11241	0.5
189.09000	0.6
191.07010	0.6
192.07837	0.5
193.08635	1.4
195.10187	1.0
200.10825	0.7
200.12694	0.6
201.09145	0.6
202.95288	0.5
205.08684	0.8
207.06523	0.8
207.10150	0.6
219.10205	0.6
221.08105	0.9
221.11684	1.0
225.54095	0.5
232.13426	0.5
233.11624	0.6
233.15308	0.4
239.08969	4.6
243.10309	0.6
247.09660	0.7
249.11339	1.0
250.14474	0.8
252.44933	0.5
260.16537	0.7
265.07272	2.2
265.10678	4.2
267.10397	0.5
271.13330	0.8
278.17502	2.8
287.05530	8.8
293.10175	3.9
294.17261	0.6
299.12619	0.6
303.12131	0.7
303.15762	0.5
306.17072	1.2
317.13791	2.7
324.17996	2.2
331.15405	0.7
349.16565	1.0
353.13681	0.5
356.08456	0.8
359.14914	2.0
377.15958	13.7
382.10193	1.8
400.11099	1.6
420.57867	0.5
463.83011	0.4
516.25690	1.2
526.24817	0.5
544.25391	15.9
545.25482	0.9
562.26465	100.0
563.19177	0.6
563.27026	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	562.2651
Annotation	Apetaline A
Peak:m/z	Relative Intensity
53.03937	0.4
55.01862	0.9
55.05500	1.8
57.03432	0.4
59.04995	0.5
67.05481	1.1
68.99776	1.1
69.03428	37.6
69.07057	0.5
69.40798	0.9
69.41189	0.7
70.06580	0.9
79.05476	1.3
80.05019	0.6
81.03408	0.5
81.07040	1.2
83.01331	0.8
83.04991	3.1
83.08633	0.5
84.08141	0.6
85.02927	0.3
86.06071	1.3
86.09705	0.5
91.05473	3.3
93.07039	5.1
95.04964	0.9
95.08593	0.9
96.08132	0.4
97.02886	2.7
97.06571	0.3
98.06031	0.5
99.04453	1.1
100.10981	0.3
103.05461	0.4
105.04509	0.4
105.07033	1.3
106.06539	1.0
107.04987	0.4
109.06525	0.7
111.04461	2.8
111.08079	92.3
111.67519	0.3
112.08400	0.7
113.05984	1.2
115.03923	0.3
117.07054	0.5
119.04948	0.4
119.08569	1.0
120.08120	1.2
121.06506	1.1
122.09659	1.5
122.10451	0.3
123.04426	1.0
123.08047	1.2
124.07590	0.4
125.02428	0.4
125.05989	0.4
127.03911	1.3
128.06258	0.4
129.05455	0.7
129.06993	0.5
131.04866	0.5
133.06511	0.6
133.08839	0.5
134.07167	0.4
134.09618	2.0
135.08057	1.0
135.10445	0.4
136.11229	1.0
137.05960	2.6
138.09155	0.9
139.03873	1.9
139.07535	23.7
143.08553	0.4
146.05998	0.4
146.09668	0.7
147.04401	0.4
147.08073	1.2
147.11710	0.4
149.05975	1.1
150.09164	1.8
151.07507	0.6
154.12285	0.3
155.03383	0.4
155.07019	0.8
157.04990	0.7
158.09517	0.3
159.08028	0.8
160.11168	0.5
161.05957	0.9
161.09589	0.6
162.12740	0.5
163.03923	0.4
163.07478	1.6
165.09186	0.6
166.06247	0.3
166.12236	0.4
167.03447	0.5
167.06995	0.8
168.10193	0.7
173.09622	0.3
175.07550	0.6
175.11240	0.7
176.10783	0.5
177.05453	0.5
177.09145	0.6
179.07051	1.2
181.08630	0.7
182.11749	0.7
186.12886	0.5
187.07538	0.6
189.09114	1.2
191.06956	0.6
193.08643	1.1
195.08356	0.4
195.10127	0.7
201.09033	0.4
202.09856	0.4
205.08652	0.8
207.06502	0.8
207.10153	0.4
209.08064	0.5
217.08778	0.4
219.10329	0.4
221.08087	0.9
221.11743	0.7
231.10205	0.5
232.13335	0.6
234.42078	0.4
237.07602	0.4
239.09003	4.4
243.13741	0.4
245.11655	0.7
247.09602	0.8
249.11253	0.7
250.14427	0.8
257.11746	0.8
260.16537	0.7
265.07193	2.7
265.10727	4.6
267.10178	0.5
271.13489	0.5
278.17496	2.9
281.11478	0.5
285.11356	0.4
289.10788	0.3
293.10184	3.4
296.18515	0.4
299.12692	1.1
303.12271	0.6
306.17078	1.1
307.11746	0.7
317.13779	2.9
324.18088	1.5
331.15247	0.8
335.11047	0.4
349.16449	1.0
359.14984	2.0
377.15970	14.5
378.16028	0.4
516.26001	0.9
526.24377	0.7
544.25421	14.3
544.33813	0.7
545.25458	0.5
562.26447	100.0
563.26794	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	562.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.1
55.05508	17.9
57.03439	16.2
61.32706	1.9
67.05505	47.8
69.03429	7.2
69.07066	14.8
69.73818	6.7
71.04971	4.7
74.01067	2.2
79.05495	40.8
80.77074	1.8
81.03417	92.3
81.03903	4.5
81.07058	51.1
83.04987	13.9
83.08616	26.1
85.02911	12.6
85.06528	4.2
87.04456	2.7
87.70606	2.0
91.05482	42.5
93.06474	1.9
93.07037	32.1
95.04974	34.1
95.08595	13.5
97.02882	3.5
97.06535	7.4
97.10179	7.0
99.08092	1.9
102.09198	2.0
103.88261	2.2
105.07022	36.1
107.04947	13.8
107.08601	28.4
107.44461	1.7
109.06513	9.4
109.10171	29.3
111.04453	4.2
111.08043	10.9
115.05443	3.3
117.07027	4.8
119.08572	21.2
121.06506	6.0
121.10150	13.9
123.08092	4.3
123.11708	10.5
125.09626	6.2
125.46937	2.1
127.07589	2.2
128.06273	2.0
129.07024	11.9
131.08556	18.2
133.06483	6.1
133.10129	41.2
135.08080	5.0
137.09644	3.9
139.11241	2.5
142.07823	3.4
143.08577	2.5
145.10123	7.6
147.08089	4.8
147.11688	14.8
149.09599	11.1
151.11174	22.2
157.10146	13.8
159.08081	3.2
159.11656	2.5
161.09656	4.8
163.11189	3.5
165.12741	4.0
169.12302	2.8
173.09697	2.3
175.11212	18.8
177.09097	2.6
189.11040	2.2
193.12234	38.6
203.67662	2.8
211.13289	25.3
229.14378	3.3
253.14345	66.6
267.15927	64.8
268.16354	3.4
269.13867	2.6
271.15329	9.6
273.18555	9.8
283.15363	6.6
285.17001	28.4
291.19626	12.0
347.22281	5.9
349.21902	2.9
365.23227	77.9
367.22635	5.5
385.23788	11.7
403.24789	5.0
459.27371	52.3
477.28461	100.0
478.28726	4.1
495.16962	2.3
548.33679	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	562.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01865	1.9
55.05522	11.9
57.03438	14.5
60.56411	1.2
67.05505	17.7
69.03422	4.2
69.07065	3.7
69.14899	8.7
71.05007	2.5
72.98667	1.4
79.05495	21.5
81.03416	87.7
81.07053	18.8
81.18062	1.2
83.04979	9.9
83.08624	20.3
85.02899	11.6
85.06522	1.7
91.05479	28.1
93.07044	13.1
95.04964	28.5
95.08594	7.5
97.02895	2.3
97.06513	2.2
97.10159	4.0
98.22707	2.5
105.07026	18.1
107.04980	7.9
107.08579	7.1
109.06498	5.0
109.10155	2.8
111.04481	2.0
111.08086	10.0
111.71678	1.5
113.05996	1.4
115.05463	2.5
117.07005	2.3
119.08584	15.8
121.06487	3.2
121.10144	7.4
123.08052	2.5
125.09635	2.6
129.07004	11.0
131.08553	10.4
133.06488	4.1
133.10100	7.3
137.09590	2.6
142.07755	2.0
145.06516	3.5
145.10112	2.0
147.08038	4.3
147.11684	11.7
149.09619	5.6
157.10104	12.0
159.08054	1.5
165.12732	4.8
171.07994	1.5
175.11168	12.9
192.20406	1.5
193.12244	30.4
211.13303	21.7
237.24770	1.3
249.14864	2.9
267.15912	100.0
268.16248	2.6
273.14804	2.9
274.10687	1.3
285.16959	19.4
320.25406	1.3
339.23358	1.7
340.36060	1.3
349.21613	3.0
367.22684	12.5
385.23605	9.2
403.24521	3.7
405.24506	2.0
433.25800	10.2
441.26236	4.0
459.27420	54.1
460.27716	3.9
477.21732	2.0
477.28479	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97433	1.2
53.03946	3.1
54.07832	1.1
55.01885	3.4
55.05514	13.6
57.03437	15.1
65.03918	1.5
67.05505	18.7
69.03419	2.9
69.07071	5.8
69.40202	6.1
71.04994	3.5
79.05492	20.4
81.03419	92.1
81.07063	21.3
83.04977	10.9
83.08617	21.2
83.09095	1.6
85.02908	12.7
85.06538	1.7
91.05479	28.2
93.07051	14.8
95.04964	28.3
95.08584	9.4
97.02908	2.8
97.06532	3.0
97.10159	5.0
99.08068	1.7
105.07036	21.1
107.04968	7.4
107.08580	8.0
109.06516	5.4
109.10160	2.7
111.04429	1.8
111.08089	10.0
115.05443	1.9
117.07021	2.4
119.08591	17.7
121.06512	3.7
121.10163	6.9
123.08086	2.1
125.09635	4.1
129.07025	11.1
130.54440	1.4
131.08565	12.5
133.06494	4.9
133.10115	7.0
142.07820	3.6
145.06497	4.2
147.08096	4.7
147.11714	11.2
149.09651	5.9
157.10126	13.1
165.12766	2.6
175.11176	11.3
188.92209	1.4
189.11308	1.9
191.17964	1.3
193.12241	32.6
193.13982	2.4
194.12570	1.6
211.13274	18.8
211.15086	1.6
229.14418	1.5
238.72054	1.4
249.14894	2.3
267.15903	100.0
268.16251	3.8
273.14859	4.5
285.16959	18.8
349.21655	3.3
367.22720	10.0
385.23709	10.7
415.24677	1.6
433.26038	9.7
441.26410	5.4
459.27383	48.5
460.27823	1.7
477.21655	2.0
477.28494	40.5
584.90167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.4
69.22530	0.4
69.22820	2.2
92.79224	0.3
95.62143	0.3
96.57816	0.3
98.22699	0.7
98.97565	0.8
104.65835	0.4
106.51378	0.4
110.97549	0.6
112.92288	0.5
116.98586	0.5
130.93301	1.4
158.99586	0.5
173.01204	0.6
181.04953	0.5
200.97449	0.4
201.00450	0.4
210.95868	4.6
212.97424	1.3
219.01718	0.5
228.96960	23.7
230.98401	0.8
237.02884	0.5
244.96324	0.6
246.98026	15.6
254.98314	0.4
256.96518	0.7
264.99091	1.5
266.48993	0.4
270.97992	1.4
274.97385	1.9
277.98904	0.5
282.98163	0.7
283.01614	0.5
288.99057	1.2
292.98709	2.6
298.97635	0.4
299.01215	0.5
300.99213	1.0
308.99457	5.7
309.99731	0.5
311.01187	7.6
314.98792	1.0
316.98691	1.8
320.99365	0.6
323.99368	1.1
324.99301	0.5
327.00647	50.5
328.01059	1.0
328.98657	0.9
329.02173	8.0
333.00497	0.5
334.99799	0.4
336.98953	2.1
337.99356	0.6
339.00714	1.4
345.01697	13.8
346.02029	0.6
346.99664	1.0
347.03305	1.1
347.49826	0.4
355.00116	30.1
356.00354	0.5
357.01630	2.7
364.99411	1.9
373.01199	40.7
374.01642	0.7
375.02536	1.3
382.99603	18.9
384.00171	0.6
391.02228	7.1
392.00232	1.5
401.00681	100.0
401.50659	0.6
402.01044	2.5
403.00943	1.2
410.01233	1.1
419.01740	57.3
420.02182	0.8
421.01920	0.7
424.02490	1.7
437.02798	4.3
442.03357	1.3
503.07486	4.2
509.02731	0.5
521.08813	1.3
527.04150	0.6
584.56946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01864	0.8
57.03431	1.3
61.02935	1.7
68.99779	0.5
69.03432	10.5
70.04801	0.5
70.05145	0.3
71.04989	0.8
73.02914	1.4
78.85579	0.2
79.05491	0.3
79.48255	0.2
81.03417	7.6
81.03899	0.4
81.07069	0.4
83.04995	0.4
85.02908	19.7
87.04466	3.0
91.03951	1.1
91.05451	0.3
93.07040	0.4
95.05000	0.3
95.08566	0.3
97.02895	7.7
97.06560	0.4
99.04448	1.3
109.02882	3.9
111.08098	1.8
115.03933	5.3
119.08575	0.3
121.02853	2.6
124.92991	0.2
127.03912	9.8
129.07011	0.3
133.02928	0.3
133.04955	0.5
133.10144	0.3
137.02335	0.7
137.05954	0.8
138.06358	0.2
139.07578	0.4
143.12216	0.3
145.04962	10.1
147.04369	0.6
153.01837	3.6
155.72673	0.2
157.06450	0.5
163.06030	0.4
165.01830	1.6
183.02951	0.5
185.05978	0.3
187.06046	0.4
189.09453	0.2
192.58934	0.2
213.05470	1.5
221.11185	0.3
229.08707	0.3
229.13168	0.2
231.06491	0.6
241.04951	0.6
258.05246	0.7
259.05905	0.3
259.08139	2.4
287.05496	100.0
288.05930	1.7
301.68948	0.3
311.05484	0.5
329.06558	1.1
562.26483	1.3
563.26819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.155
Annotation	Catechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
52.23521	1.0
53.03939	1.4
55.01879	1.5
65.03938	1.2
67.05493	1.4
68.99770	5.7
70.06599	5.7
71.44102	1.3
73.26310	1.1
73.35491	1.0
77.03937	1.8
79.05518	2.0
80.79916	1.1
81.11746	1.2
84.08151	2.6
86.09724	3.3
88.97860	0.9
91.05478	7.1
93.03481	1.4
95.04969	5.2
105.04497	1.4
105.07020	1.3
106.52533	1.1
107.04955	100.0
109.20100	1.0
111.00819	1.7
111.04441	3.5
113.77100	1.2
115.05482	1.9
117.06995	1.1
119.04942	49.7
120.08084	1.5
121.02869	7.5
123.04439	27.0
127.03909	4.7
131.04916	1.7
133.06496	7.0
135.04407	1.9
136.07582	1.9
139.03908	30.8
145.06468	12.9
147.04411	53.6
149.02351	7.7
151.03909	13.0
153.07005	1.2
157.06505	3.7
159.09261	2.2
161.06036	7.3
163.03876	5.8
165.05470	5.9
165.06795	1.3
167.03426	18.6
169.06462	1.2
171.04393	10.0
171.05618	1.5
175.03938	3.9
177.05545	2.7
179.03397	9.3
181.06464	2.0
185.06009	3.7
187.03961	2.1
187.07526	3.4
189.05490	9.2
191.03395	13.1
193.04976	6.4
197.12839	1.3
199.07516	2.9
201.05524	1.8
203.03436	9.9
205.04884	1.8
207.06491	2.7
213.05551	4.4
215.03102	1.3
215.06955	1.9
227.07089	5.2
229.04912	4.5
231.06514	23.7
233.04437	6.6
239.07098	2.5
243.06535	9.9
244.10872	2.2
245.04434	7.2
245.08041	6.1
251.05670	1.7
255.06525	15.9
257.04492	9.9
257.08228	1.8
267.06592	5.3
269.04462	2.1
273.07571	30.4
275.05487	19.9
275.08215	1.8
285.07587	21.1
287.05505	26.7
291.08621	19.9
299.05536	5.3
303.08746	2.5
393.09760	24.2
395.11237	4.8
405.09625	1.5
409.09241	6.8
411.11072	5.7
427.10132	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	563.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01155	1.9
65.98623	0.3
68.99791	1.4
69.34660	1.7
70.06601	0.4
72.04520	5.5
73.02901	0.4
78.03794	3.6
85.06543	0.8
86.06047	2.7
88.02219	4.6
98.02427	0.4
98.06042	1.8
99.05579	1.1
102.03770	5.6
103.07574	0.4
104.99396	0.4
111.08099	0.7
113.05994	0.7
114.03770	1.4
115.05512	0.5
115.08704	4.2
120.04842	0.6
124.07568	0.7
125.07090	0.4
129.96051	0.4
130.08626	0.5
130.60353	0.4
131.06384	2.5
132.04784	5.4
137.05994	5.0
141.06987	1.8
142.08633	2.8
147.04393	1.2
149.07442	21.4
155.04877	0.4
157.06538	0.4
159.05850	1.8
159.08000	0.4
168.05708	1.4
169.06442	3.3
172.05191	0.6
175.05350	0.9
178.04991	13.4
179.05104	0.4
179.07016	0.6
183.04379	1.1
184.09712	1.6
185.05914	0.6
186.06763	0.7
187.07562	1.5
196.05205	2.0
197.05974	16.4
198.06624	0.6
199.07584	0.5
200.04613	0.8
202.06116	0.5
211.03889	0.8
211.07516	1.2
213.05476	2.8
214.06238	6.4
215.07063	2.2
224.04611	1.0
225.05460	17.0
226.06218	2.1
227.06912	0.5
227.13994	0.7
229.08531	1.1
232.05977	2.0
239.07050	1.1
241.04968	0.9
242.05736	13.9
243.06487	2.8
243.11603	1.1
253.04956	17.2
254.05608	1.7
257.08041	4.3
261.12683	36.0
262.12915	0.5
269.04456	0.5
270.05252	15.7
285.07568	100.0
286.07968	2.0
295.75485	0.4
302.10156	0.6
314.10355	1.9
356.11270	9.0
399.94943	0.4
433.14273	4.3
545.19403	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	563.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.0
57.07077	1.4
69.23553	4.7
74.65607	1.3
79.05487	1.7
81.07039	1.3
82.88034	1.1
94.08509	1.2
94.84174	1.3
95.08595	2.5
98.23421	2.9
106.03279	1.2
109.10180	1.3
121.10054	1.5
139.49908	1.1
151.10555	1.1
251.12566	3.6
307.15283	3.8
313.27167	1.4
333.30954	1.3
563.39215	100.0
564.39496	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	564.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
69.02393	0.2
69.03427	0.9
69.40544	1.0
79.05515	0.7
81.03453	0.3
85.02905	2.3
87.04465	1.0
93.07079	1.3
95.04963	0.7
97.02912	0.5
98.97585	0.8
103.05471	6.5
107.04990	1.6
108.37392	0.2
115.03923	4.0
115.95339	0.2
116.35597	0.2
116.98643	0.3
120.08107	100.0
121.08441	1.0
127.03941	1.5
127.47217	0.2
131.04912	2.3
133.04956	1.6
145.04962	1.3
149.06006	2.2
163.06032	0.5
166.08638	57.9
167.08986	0.7
198.39613	0.2
219.01553	0.4
237.02835	0.3
242.88791	0.3
259.08118	0.7
277.09216	2.2
280.81177	0.2
296.36530	0.2
337.08716	0.3
467.10898	0.5
495.13828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90238	0.9
53.03940	2.0
55.01866	2.5
57.03444	1.7
61.02910	1.3
69.03426	10.2
69.48021	1.2
71.04976	1.4
71.46098	1.0
73.02929	1.3
77.02793	0.8
78.56889	0.9
81.03414	6.4
84.08157	1.1
85.02908	25.0
87.00829	8.9
91.05457	1.1
91.85464	0.9
97.02898	6.7
99.04457	3.4
105.01868	9.9
108.04472	0.9
109.02885	5.9
112.25562	0.9
127.03918	15.7
129.01881	1.0
135.08009	1.3
145.04973	6.5
159.02884	2.3
167.07108	1.0
183.36937	0.9
202.12302	7.2
209.09743	1.6
211.11142	1.0
221.13252	2.4
222.10233	1.2
224.12025	5.3
225.12695	1.2
228.10249	1.9
231.05042	5.2
239.14412	6.1
241.32654	0.9
248.07666	1.0
249.12787	2.6
250.28061	0.9
252.11450	14.3
253.12161	3.1
265.12357	2.2
266.13068	2.2
267.13797	29.5
268.14581	18.3
269.11783	2.3
282.12506	1.6
284.14047	13.2
297.14795	5.8
298.14438	3.2
299.16425	100.0
300.16742	2.9
316.15448	3.0
472.75568	1.0
479.16953	1.3
480.17593	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
55.01876	6.2
57.03436	5.3
61.02937	4.5
68.99799	3.8
69.03432	31.3
69.43947	3.0
69.44358	1.3
71.04987	2.8
73.02907	5.2
73.42268	0.7
77.66064	0.7
81.03419	23.0
83.01348	1.2
85.02908	84.9
86.26771	0.7
87.00833	28.2
91.03955	1.6
97.02897	22.1
98.06042	0.8
98.23505	0.8
99.04454	11.3
103.03957	1.9
105.01871	31.1
108.04478	3.2
109.02883	24.0
110.58154	0.7
115.03918	1.2
117.01874	2.4
126.05518	1.4
127.03920	54.3
129.01862	3.0
145.04962	21.0
147.02881	3.6
158.69240	0.8
159.02914	12.0
171.02861	1.0
177.03925	0.8
189.03943	3.6
209.09619	2.8
210.10356	1.2
213.03976	2.7
221.09714	0.8
222.10439	1.7
223.11246	1.2
224.11966	1.9
225.12781	1.9
231.04996	14.4
235.11194	2.2
236.11916	3.1
237.09213	3.9
237.12910	1.7
238.09833	1.4
238.13564	0.9
239.14412	1.6
241.12236	2.7
248.07590	1.7
249.06126	1.8
251.10599	2.0
252.11436	11.4
253.12256	15.0
254.13081	1.4
265.12192	0.8
266.13007	2.1
267.10446	1.3
267.13806	19.5
268.14587	35.5
269.11752	5.3
269.14972	1.6
277.12216	1.2
282.12445	2.2
282.15500	0.9
284.14087	17.5
292.14398	1.7
293.11758	0.9
297.14838	9.4
299.16428	100.0
300.16708	2.0
308.14044	1.3
310.15500	1.1
323.16434	15.4
341.17526	4.6
365.17398	6.2
375.15936	1.0
389.11673	0.6
389.17551	3.3
407.18628	1.7
511.19238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81075	0.5
53.03923	0.8
55.01873	3.5
55.05513	5.9
57.03442	4.8
61.02925	1.7
67.05505	14.8
69.03447	3.7
69.07074	10.6
70.58517	0.9
70.58833	0.7
71.04993	2.1
73.02934	0.7
79.05499	13.9
81.03426	4.5
81.07059	16.4
83.04980	5.0
83.08627	4.0
85.02915	2.4
85.06568	0.8
91.05476	8.8
93.07051	13.7
95.04975	6.3
95.08611	6.9
97.02941	1.9
97.06534	30.4
97.10161	1.3
99.08092	1.3
105.07040	8.0
107.04975	2.1
107.08604	8.2
109.02872	1.0
109.06513	1.6
109.10153	3.0
111.08079	1.0
115.05383	0.7
117.07028	3.1
119.08593	5.8
121.06487	1.1
121.10155	4.2
123.08085	0.8
123.11729	1.5
125.09669	1.4
127.03912	1.3
129.05544	0.9
129.07011	2.6
131.08609	5.9
133.10139	6.0
135.08078	1.2
135.11693	3.8
137.05966	0.8
137.09642	0.8
143.08554	1.8
145.06432	0.6
145.10115	3.6
147.11700	2.4
149.05882	0.9
149.09647	2.1
149.13243	4.5
155.08519	1.0
157.06425	0.9
157.10139	1.9
159.11717	4.7
161.02437	1.1
161.06047	2.3
161.13268	1.6
162.03206	0.7
163.03896	4.2
163.10085	0.6
163.11172	3.4
167.08580	0.6
169.06459	0.9
171.08096	1.2
173.04536	0.7
173.05966	1.3
173.13162	1.3
175.11124	0.7
177.12726	4.5
179.14377	1.8
181.12318	1.2
183.11760	0.8
187.07588	1.1
189.09167	1.5
195.08076	1.9
195.13820	1.9
197.06039	1.1
199.07668	1.5
201.05379	0.8
201.09154	1.1
203.06967	0.9
211.07593	0.9
213.09154	3.3
214.06258	0.7
215.07062	2.4
215.10620	1.1
216.07722	0.6
223.07791	0.7
227.10712	0.8
227.12759	1.1
229.08759	0.7
230.09396	1.2
231.10298	0.7
239.10732	0.7
239.18001	0.9
240.07773	0.9
241.08655	2.7
241.12254	1.1
247.20645	0.9
251.16428	0.8
255.15912	11.1
257.19067	2.5
258.08859	0.9
259.09680	6.3
269.07782	0.7
269.17468	20.2
274.14478	2.8
275.20071	8.6
285.11221	0.7
285.14471	0.8
285.17233	0.8
293.12213	0.7
298.14041	1.0
299.12891	1.0
302.13858	1.7
309.14780	1.4
309.20743	0.6
311.12836	7.3
313.14520	2.0
327.15964	3.4
337.10626	1.0
337.14301	4.9
339.17972	1.0
349.23773	15.2
355.15393	24.3
367.24881	2.4
373.16455	3.1
379.08380	0.7
414.56860	0.7
444.18036	0.9
470.19501	1.8
472.17889	0.7
487.19366	0.7
502.22437	1.5
524.22589	0.9
531.18781	1.1
546.21051	18.6
547.21564	1.5
564.22034	100.0
565.22302	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	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42665	0.5
53.03938	1.0
55.01867	2.5
55.05508	6.0
57.03436	4.6
57.07084	0.6
61.02921	1.8
65.03907	0.7
67.05160	1.1
67.05508	17.8
69.03429	3.6
69.06712	0.6
69.07072	10.5
69.39904	2.7
71.01360	1.0
71.04987	1.8
79.05498	14.8
81.03424	3.5
81.07059	18.2
83.04993	4.3
83.08629	2.9
85.02910	1.7
85.06538	1.1
91.03944	0.8
91.05479	10.6
93.07048	13.2
95.04961	5.4
95.08606	6.5
97.02897	1.8
97.06534	18.2
97.10169	2.1
99.08059	1.2
105.04529	0.8
105.07029	8.7
107.04976	2.4
107.08601	8.6
108.54380	0.6
109.02863	1.0
109.06533	2.2
109.10149	2.9
111.04457	0.9
111.08073	1.4
117.07026	4.0
119.08583	7.2
121.06530	1.2
121.10136	4.2
123.08064	0.7
123.11765	0.9
125.09600	1.2
127.03913	1.0
128.06300	0.8
129.07060	1.6
131.08565	5.9
133.10155	4.4
135.08080	1.2
135.11707	6.1
137.09645	1.3
143.08591	1.2
145.06471	0.7
145.10127	3.9
147.11682	2.5
149.09633	2.3
149.13249	4.3
151.11201	0.6
153.01854	1.9
155.08569	0.8
157.10136	1.6
159.11694	6.7
161.02423	0.9
161.06009	0.8
161.13274	1.8
163.03961	3.1
163.11205	2.6
167.08662	0.8
169.10110	0.9
171.11658	0.8
173.05934	1.2
173.13295	1.7
175.03975	0.7
177.12730	6.4
179.14352	2.1
181.12199	0.7
187.03969	0.7
189.09113	1.2
189.11227	0.8
193.12250	0.7
195.08055	1.1
195.13792	1.7
197.13319	1.0
199.07613	1.2
203.07013	0.8
211.07497	0.7
211.13147	0.6
213.09129	1.4
215.07063	1.6
227.12917	0.7
229.14326	1.9
229.19447	0.8
231.10197	0.9
239.18004	0.8
240.07898	0.7
241.08658	1.8
241.12285	0.8
251.16507	0.9
255.15918	14.6
257.19064	2.8
259.09628	3.8
267.16061	0.8
269.17480	24.4
274.14453	2.3
274.78915	0.7
275.20111	7.6
284.12711	1.1
302.13837	0.8
311.12833	2.4
311.16595	0.8
313.14267	1.5
324.11887	0.7
327.15918	1.4
337.14240	4.1
349.23721	15.7
349.27774	1.1
355.15396	12.8
367.24799	5.3
373.16547	1.8
385.12909	2.4
413.21463	0.8
470.19830	0.8
488.92743	0.7
502.22128	1.0
511.28891	0.9
524.23303	0.9
529.21075	0.9
531.18701	1.1
546.21008	16.7
546.29340	1.1
547.21405	1.7
564.22021	100.0
565.22406	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	564.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45712	0.4
57.03423	0.5
57.44101	0.4
64.67619	0.4
69.03445	0.5
69.55470	1.7
70.06585	1.0
72.08176	0.5
80.05005	0.7
82.06557	0.4
84.08108	0.4
85.02919	2.1
87.14567	0.4
94.06577	0.6
103.03959	0.6
110.09705	0.5
120.08091	0.6
122.09653	0.9
133.32558	0.5
134.09689	0.5
136.11211	4.0
148.11227	0.7
150.09175	1.0
162.09117	0.5
162.12767	3.1
168.10226	0.5
171.75627	0.4
176.10738	0.8
176.14328	0.7
188.21930	0.4
194.11734	1.1
218.15359	0.4
234.14813	0.5
236.16457	9.9
246.15016	0.6
262.14493	0.5
264.15948	15.1
265.16150	0.6
294.20651	0.6
320.18472	3.6
338.19604	100.0
339.19986	4.3
472.51450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70831	5.2
55.05519	5.6
57.07076	8.8
65.09903	4.2
65.80720	4.1
67.05499	9.7
69.07055	6.8
69.19679	9.1
69.20077	22.7
70.55248	4.3
79.02639	3.8
81.07048	9.5
82.75150	4.7
83.08627	12.5
93.07015	5.4
95.08622	11.2
96.86227	4.2
97.10184	8.3
110.04133	4.0
127.80167	4.4
132.01462	4.3
134.79802	4.4
139.11143	7.0
148.92278	4.2
163.62433	4.9
172.39726	4.5
244.37604	5.2
371.31445	17.0
409.33054	30.9
415.77817	5.8
427.34067	28.7
483.36490	22.2
490.30966	9.7
501.37857	100.0
543.57300	4.7
565.33307	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98540	5.3
63.34214	6.5
67.05482	15.4
69.07059	9.1
69.17609	12.3
69.18010	20.7
81.07059	10.7
83.08621	7.0
95.08592	11.2
97.10188	7.6
109.10005	6.3
134.96561	5.8
184.07332	6.7
194.03886	5.8
197.16824	5.4
210.24115	5.3
278.88132	5.2
331.60220	6.7
335.29700	6.1
371.31387	17.4
409.32974	21.8
427.34088	20.3
457.17307	7.0
462.28714	6.2
472.30646	7.9
483.36569	8.2
490.31696	9.3
501.37881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	30.9
57.03441	11.1
57.07074	25.0
61.00629	5.8
62.90001	6.6
67.05508	34.1
69.07070	44.3
71.08625	12.5
71.44520	8.6
74.20888	6.2
79.05511	17.8
81.07063	48.0
83.08623	28.8
85.10165	9.6
85.48450	5.7
93.07049	19.8
95.08611	39.8
97.06509	9.5
97.10180	18.9
105.07041	10.1
107.08614	15.8
107.60423	8.0
109.10165	23.5
121.10158	20.2
123.11688	9.7
135.11667	16.1
266.22134	6.8
301.56128	7.3
399.34641	19.1
437.36032	23.0
455.37198	27.4
511.39874	23.5
529.41003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	1.6
55.01871	1.6
57.03433	1.2
61.02925	1.0
67.05502	0.4
68.99797	0.8
69.03063	0.3
69.03429	6.1
69.07062	0.2
69.20356	0.7
69.20751	0.3
71.01346	0.2
71.04991	0.9
73.02922	1.4
78.19554	0.1
79.05510	0.2
81.03421	8.3
81.07048	0.3
83.01333	0.3
83.04988	0.2
85.02907	11.5
87.00829	5.2
91.03951	0.3
92.02618	0.6
93.03413	0.8
93.07043	0.2
95.08623	0.2
97.02895	4.1
97.06538	0.3
99.04462	2.8
102.05546	1.3
103.05868	0.2
105.01864	2.7
109.02878	6.9
115.03912	0.3
116.64749	0.2
117.01826	1.0
119.08530	0.2
121.02877	0.8
121.10150	0.2
124.51549	0.1
126.03065	0.2
127.03913	9.3
129.01828	0.7
135.04434	0.2
137.02304	0.2
138.04153	0.1
139.03885	0.7
145.04944	3.2
145.10141	0.3
147.02843	0.6
151.03935	0.8
153.01823	5.4
159.02890	4.6
159.11646	0.1
163.03860	0.2
165.01840	0.5
173.09474	0.2
177.03955	0.2
177.05486	0.3
183.02959	0.2
197.09512	0.2
201.05505	0.6
203.03435	0.4
211.04079	0.2
213.03981	0.3
217.04964	0.7
218.05746	0.6
221.06000	0.2
228.04106	0.9
229.04964	2.3
231.02917	0.4
231.05029	1.1
233.11717	0.2
245.04514	0.8
246.05209	1.3
253.21666	0.2
257.04395	1.7
260.03308	0.2
261.07440	0.3
271.06006	0.3
273.03918	1.4
274.04715	3.2
284.03094	0.5
285.03937	3.7
286.04700	0.3
288.06198	0.2
301.03592	0.2
302.04208	10.0
303.04907	0.4
317.06543	100.0
318.06888	2.3
335.81125	0.2
349.06818	0.2
359.07581	0.4
373.16489	0.3
451.04898	0.2
564.29260	0.3
565.30115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Ambocin
Peak:m/z	Relative Intensity
53.03946	1.6
54.07383	1.7
54.31847	1.4
55.01874	2.5
57.03444	3.8
58.11528	1.5
58.87548	1.6
61.02923	6.7
69.03427	26.0
70.06596	8.4
70.61075	2.3
71.05029	2.2
72.08143	3.6
73.02917	4.7
81.03416	17.4
82.06567	1.8
84.08147	2.9
85.02905	52.9
86.09712	6.3
87.04464	10.5
87.05585	3.2
91.03954	6.7
91.05488	2.3
94.06574	6.8
95.04991	1.7
96.08135	9.4
97.02895	23.0
99.04446	4.8
99.79417	1.7
103.03907	2.1
106.32647	1.5
107.04951	9.7
109.02871	7.9
110.09703	1.7
115.03933	21.9
120.08102	3.7
122.09644	2.5
127.03925	28.4
131.04826	2.0
133.02878	2.5
133.04979	4.1
145.04951	35.4
147.04419	2.0
149.02354	31.8
149.08405	2.1
151.03795	2.0
153.01828	7.5
153.10225	6.5
165.01808	2.4
167.11827	2.8
168.12564	4.5
169.06523	1.9
173.02339	5.8
184.22205	1.5
187.05951	2.1
187.07487	2.9
191.03323	2.8
197.06053	3.9
211.10757	5.9
212.11540	23.1
215.07040	42.8
216.07251	2.1
229.08647	2.2
239.07149	2.4
243.06540	69.6
244.06674	2.7
253.04898	2.3
255.06502	3.6
257.08121	2.9
258.11212	2.6
259.08157	7.4
271.06009	100.0
272.06274	2.1
285.07504	7.2
289.07050	19.9
295.05893	4.7
313.06888	8.4
326.91647	1.7
331.08182	2.4
337.07104	2.9
373.13907	8.5
379.08115	2.3
397.09122	2.5
420.53549	2.0
525.65167	1.6
565.26740	5.7
565.35101	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	565.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03944	4.2
55.01868	5.9
55.05518	3.7
57.03433	3.4
61.02916	2.5
65.03934	6.4
66.52874	1.4
67.05504	13.5
69.03430	12.9
69.07077	9.5
69.41837	6.8
71.01363	1.9
71.04987	3.6
75.77101	1.3
77.03928	2.5
79.05502	14.7
81.03409	8.9
81.07056	11.7
82.04218	2.3
83.04974	7.0
83.08627	2.3
85.02911	29.0
85.06560	2.0
87.04478	1.9
91.05480	7.3
93.07037	6.4
95.04977	10.4
95.08612	7.9
97.02894	9.0
97.06539	31.9
99.04461	2.4
99.08098	1.6
103.05465	3.6
105.04528	1.7
105.07030	8.4
107.04960	24.0
107.08598	5.1
109.02908	3.7
109.06518	3.5
109.10167	6.0
110.03625	3.2
111.04440	4.2
111.08057	2.9
115.03935	3.8
115.05469	8.7
117.07033	4.6
119.04917	1.7
119.08577	4.1
121.06516	3.2
121.10139	2.7
123.04440	4.3
123.08162	2.0
124.05218	4.3
125.05997	3.8
125.09602	2.2
127.03939	8.2
128.06221	2.3
129.05489	2.1
129.07007	14.8
131.04950	3.6
131.08600	4.3
133.06505	3.5
133.08672	1.7
133.10159	3.7
135.04419	60.0
135.08109	2.0
137.05981	4.9
137.09653	1.7
139.03940	3.1
141.07042	1.7
143.04935	5.0
144.05704	1.7
145.04971	5.0
145.06503	8.6
145.10162	4.3
147.04417	1.8
147.11682	2.6
149.02379	15.2
149.06013	3.7
149.09569	2.0
151.03934	2.5
152.04680	3.7
153.05438	5.4
155.05975	2.5
155.07083	3.7
155.10596	1.9
157.06476	17.2
159.08044	2.6
159.11667	2.5
161.05981	5.4
163.03912	2.8
163.11180	2.1
167.07048	54.8
167.08432	2.1
171.04408	5.0
171.06569	5.5
172.05209	3.3
173.06006	11.7
173.09489	1.6
175.03897	1.6
175.07541	5.1
177.05446	4.3
181.04959	96.5
183.08057	2.1
185.05988	4.8
187.07524	14.9
189.05490	12.7
189.09123	1.6
191.06989	1.9
191.10580	1.5
195.06569	3.4
195.08080	2.4
199.07535	2.5
201.05447	16.8
201.09193	1.6
203.07039	5.6
205.08607	3.2
207.06479	2.3
209.09776	2.0
211.07526	1.7
212.08235	2.0
213.05498	4.6
213.09050	5.4
215.07019	5.3
217.08582	2.3
218.05717	6.0
218.09143	1.6
219.06454	3.7
219.10063	2.2
221.08076	5.9
221.59715	1.6
227.07066	2.6
227.10602	1.6
229.14381	4.1
231.06314	10.9
231.10123	1.9
233.08064	56.7
235.07683	1.9
235.09625	8.5
237.09030	2.0
241.08636	2.5
241.12320	4.3
243.10342	1.6
245.08200	2.0
247.07484	3.7
249.07510	5.1
249.40388	1.7
250.09842	2.0
251.09175	4.0
253.21587	1.7
257.08142	4.1
259.09848	4.0
263.09180	17.8
264.07825	2.4
265.08603	2.8
265.11972	2.1
267.10388	1.9
269.11508	2.2
269.17554	2.1
275.07123	4.1
277.08585	3.9
279.09848	2.2
281.24670	2.0
283.13190	3.8
287.13080	2.2
291.06500	2.7
292.07327	2.5
293.08109	3.3
295.09583	3.1
299.05490	7.2
299.12878	2.0
301.14447	1.9
305.08139	2.1
307.09601	4.8
309.11377	2.4
309.15027	2.3
311.12729	5.9
312.09979	2.2
312.13208	3.3
313.14243	2.8
314.07870	5.0
323.09073	3.0
327.16003	2.5
329.14078	2.3
331.15332	2.2
335.09100	4.4
337.10580	2.3
337.14203	2.5
339.12210	5.2
349.10809	2.6
349.23602	3.7
352.09244	2.0
355.11664	12.6
355.15491	8.1
356.15802	8.4
358.86176	1.7
367.11743	13.1
367.24835	4.1
369.13153	2.3
371.76956	1.6
373.12552	5.9
373.16504	21.9
374.16779	1.7
385.12823	100.0
386.13324	3.1
387.14758	2.8
388.21713	1.6
403.13867	24.2
521.18744	1.9
547.21362	2.0
565.22223	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	565.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
57.03437	0.5
66.52167	0.4
67.05495	1.2
70.68652	0.6
71.05019	0.6
79.05491	1.2
81.03404	0.9
81.07061	1.7
83.05026	0.5
83.08627	0.7
91.04103	0.4
91.05478	0.9
93.07044	1.8
95.04973	0.7
95.08620	0.9
97.06544	0.5
103.32864	0.4
105.07048	0.9
107.08599	0.9
109.06546	0.6
109.10177	0.4
112.56994	0.4
117.06976	0.4
119.08600	0.7
121.10193	0.6
130.86903	0.5
131.08601	0.5
133.10170	0.4
133.70657	0.5
135.11642	0.4
145.10143	0.6
147.11665	0.5
149.09657	0.4
151.28348	0.4
160.09030	0.4
163.11156	0.9
193.12344	0.5
210.19785	0.4
283.15158	10.8
305.13589	0.7
339.17807	5.9
394.04773	0.5
565.29834	100.0
566.30133	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	566.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.3
53.04141	0.4
55.01838	0.7
55.05477	0.7
57.03388	3.3
61.02876	3.2
64.21024	0.4
65.22073	0.3
67.05456	1.6
69.03431	13.9
69.84396	0.8
69.84758	0.9
70.08095	0.4
71.01337	0.5
71.04995	2.3
73.02912	3.3
79.05467	0.9
80.04966	1.2
81.03424	3.3
83.01302	1.0
84.76289	0.4
85.02907	13.0
87.04469	3.5
91.03931	0.9
91.05415	1.7
93.07001	1.0
94.06487	0.9
95.04934	0.8
95.08550	0.4
96.08086	0.6
97.02887	6.0
99.04453	2.3
99.05477	0.4
101.02310	0.5
105.06981	1.1
106.06478	1.1
107.08559	0.4
108.05759	0.4
108.08037	0.5
109.02879	2.1
109.06492	0.7
110.09608	0.6
111.08006	0.7
117.06966	0.6
118.06489	0.7
119.04925	0.4
119.08449	0.4
120.08132	2.1
121.06476	0.5
122.09621	1.5
123.08027	0.6
124.11189	0.5
125.09512	0.5
127.03913	3.6
129.06999	0.4
130.06502	0.6
131.08478	0.7
132.08051	1.7
134.09665	3.1
136.07469	0.4
136.11140	1.3
137.05905	0.9
138.09077	1.0
141.05371	0.5
144.08015	0.8
145.04965	0.7
145.09982	0.4
146.05928	1.2
146.09605	0.6
147.06664	0.4
148.07518	1.3
148.11200	0.7
149.05917	0.6
149.09525	0.5
150.09085	1.2
151.07484	0.5
152.10658	1.4
154.12270	2.6
155.03345	1.0
155.98439	0.4
158.09627	0.6
159.08092	0.6
159.10461	0.6
160.07574	3.2
160.11200	4.6
161.12019	0.6
162.09187	2.4
162.12718	1.3
163.09901	0.4
164.10579	0.8
165.05411	0.8
167.07027	0.6
168.13838	0.5
170.09496	0.7
171.10355	0.6
172.11177	0.9
174.12732	1.7
175.09734	0.6
176.10706	1.0
178.12231	1.2
179.06987	1.3
183.06573	2.3
184.11240	2.3
185.11928	1.5
186.12683	0.8
188.10686	2.8
192.13771	0.5
196.13277	0.9
198.12692	0.4
202.12292	7.6
203.12720	2.0
204.10144	0.9
204.13754	1.3
207.06471	1.6
212.14287	0.8
213.14966	0.5
216.10199	2.9
216.13850	0.5
220.13327	29.1
221.13780	1.3
222.14914	0.7
230.15381	1.6
235.09656	0.5
238.12294	0.5
240.13846	0.6
247.09634	1.4
249.11174	1.1
256.13040	0.6
258.14944	5.8
275.12775	2.3
276.15948	0.6
292.15390	3.4
298.14273	0.5
310.17935	0.6
318.16806	0.5
325.14453	0.5
344.14874	0.7
346.16626	0.5
368.18491	1.8
376.20947	0.4
386.19690	6.2
389.18494	0.8
404.20663	97.9
405.21033	3.0
446.21976	0.7
566.25952	100.0
567.26563	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	566.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15385	0.5
55.01870	1.0
55.05480	0.6
55.08696	0.4
67.05500	2.6
68.05012	0.5
69.03437	4.6
69.06090	0.4
69.07013	0.5
69.48520	0.8
69.48913	1.0
70.14133	0.5
71.04962	1.4
79.05459	2.0
80.05008	1.2
81.03385	0.6
81.07037	1.1
83.01318	1.3
84.04454	0.5
85.02907	2.7
90.97202	0.5
91.05448	2.0
93.07011	2.1
94.06531	1.5
95.04947	2.0
97.02834	1.4
99.04436	1.9
99.10215	0.5
105.06994	2.2
106.06568	3.8
107.04917	1.6
108.08100	1.1
109.06472	2.1
111.24166	0.5
118.06503	1.4
119.08540	0.8
120.08060	1.8
121.06487	1.8
122.06009	0.9
123.04462	0.6
123.08067	0.5
124.11197	1.7
127.03939	5.0
129.07013	1.1
131.08546	0.7
132.08078	0.7
133.10066	0.6
134.06003	1.1
134.09644	0.9
135.06790	0.7
135.07974	1.0
136.07573	2.8
136.11201	2.1
137.05946	2.0
137.09604	3.1
141.05461	1.0
142.07709	0.8
142.12146	0.5
145.10081	0.7
146.05997	0.7
147.06749	0.6
147.07921	0.6
148.07521	0.7
150.09236	0.5
150.12762	0.9
151.03857	0.6
151.07492	1.0
151.11174	0.8
153.05450	0.6
153.09026	0.5
154.12242	0.7
155.03407	4.3
155.07050	2.0
157.04938	0.8
157.06435	0.5
160.07542	1.9
160.11237	0.6
161.09598	1.1
162.09160	0.6
162.12801	6.2
163.11185	6.3
164.07043	0.6
164.10704	1.1
165.05589	2.6
165.06741	0.8
167.07043	0.8
169.08615	1.4
173.09618	0.6
174.12753	2.3
178.12254	4.2
179.07031	1.4
180.13799	1.0
181.04979	1.1
183.06546	3.7
183.07977	0.8
185.09605	0.9
188.10701	8.3
189.09163	0.9
189.12706	0.6
190.12271	1.0
192.13799	1.7
195.06468	0.7
202.12279	8.5
202.15686	0.8
203.13007	1.7
204.13823	1.8
205.08554	0.5
207.06529	1.6
213.09074	1.0
220.13341	43.0
221.13687	0.9
225.07632	2.9
230.15503	0.9
231.09702	0.5
248.16452	1.6
258.14908	10.8
261.11224	2.1
263.09177	0.8
273.11282	2.6
275.12665	0.5
276.15918	3.4
368.18613	1.2
386.19681	2.9
404.20697	100.0
405.21039	3.1
541.11090	0.6
566.25964	73.5
567.26129	3.4
570.76129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2598
Annotation	Geodiamolide N
Peak:m/z	Relative Intensity
53.03931	1.1
55.01850	1.0
57.03399	2.6
61.02927	3.6
65.03906	0.7
67.05479	1.3
69.03427	16.6
69.34444	2.9
70.06567	0.6
71.04986	2.9
73.02879	2.7
79.05456	1.5
80.04964	0.7
81.03419	4.7
83.01300	1.5
83.04900	0.6
85.02908	13.0
85.06501	1.1
85.26363	0.5
87.04491	3.1
91.05443	2.0
93.07005	1.1
95.04916	1.2
96.08091	2.1
97.02370	0.7
97.02882	6.7
98.06007	0.9
99.04395	1.7
101.02363	0.7
105.07016	1.0
106.06502	1.8
107.08562	0.6
108.08072	0.9
109.02849	2.0
110.09625	2.3
115.03864	0.8
117.06963	0.8
118.06537	1.0
120.08037	2.3
121.06493	1.4
122.05939	0.8
122.09650	0.9
123.07999	0.6
124.07507	0.7
126.09115	1.2
127.03904	5.0
130.06464	0.6
131.08464	1.0
132.08055	1.6
133.08846	0.7
134.09641	1.8
135.04341	0.7
136.11151	2.2
137.05943	0.9
138.09145	3.3
139.07538	0.7
141.05435	0.6
143.07170	0.7
144.08031	0.9
145.04970	1.1
145.09979	0.7
146.05956	1.4
146.09653	1.3
148.07538	1.3
150.09125	1.2
152.10638	1.2
154.12192	1.5
155.03308	0.8
155.07025	1.4
158.09512	0.7
160.07594	6.2
160.11224	2.9
161.11923	0.8
162.09126	1.8
162.12747	1.4
164.10580	0.9
165.05441	1.6
167.06995	1.2
170.09598	1.8
172.11208	1.4
174.09116	0.9
174.12733	1.3
179.06902	0.7
183.06509	2.6
184.11179	1.4
186.12807	0.9
188.10643	2.2
192.13629	0.8
202.12247	3.9
203.12962	1.3
204.10214	0.9
204.13745	1.6
205.08652	0.9
207.06473	1.1
216.10147	3.9
220.13315	20.1
221.13814	0.6
222.14806	0.9
230.15349	1.3
235.09694	0.7
247.09648	2.7
249.11174	3.0
258.14819	3.1
273.11136	0.8
275.12683	2.2
276.12445	0.6
292.15323	3.7
326.13873	1.3
328.15384	1.5
332.15012	0.7
342.17050	1.1
344.15115	1.0
368.18481	1.7
370.24506	0.7
376.74789	0.6
386.19586	15.6
404.20667	86.7
405.20959	2.4
446.21988	0.8
523.43225	0.8
548.25275	0.7
566.25952	100.0
567.26031	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	566.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.4
56.04979	0.9
61.33704	0.3
64.83885	0.3
67.05415	0.4
69.03362	2.2
69.43903	0.3
70.06531	1.1
76.00522	0.3
79.05460	0.4
80.04957	1.0
81.03347	0.4
81.07014	0.6
82.06551	0.7
84.08109	0.4
85.02908	1.9
87.00728	0.3
91.05422	0.6
93.06973	0.7
94.06511	0.9
95.07325	0.4
96.08115	1.6
97.02821	1.2
97.08862	0.5
99.04444	0.6
105.06988	0.7
106.06472	1.6
107.08535	0.8
108.08046	1.1
109.02816	0.6
111.04316	0.4
111.08044	0.5
117.06989	0.7
119.08526	0.5
120.08121	0.7
121.06422	1.1
122.09675	1.9
123.04397	0.3
125.05981	0.4
126.35075	0.4
127.03839	1.1
131.08476	1.1
133.10036	0.5
134.09601	1.2
135.08022	0.5
135.10350	1.5
136.11145	0.6
137.05916	0.7
143.08513	0.4
145.04881	0.5
145.10066	0.8
146.09601	0.6
148.07518	0.6
148.11133	0.5
150.09148	2.4
151.07565	0.4
152.10658	0.4
160.11160	0.5
161.09555	0.8
161.13232	0.4
162.06723	0.4
162.08974	0.4
163.06235	0.5
163.07494	0.8
163.11101	0.4
166.08594	0.4
167.06918	0.5
168.10191	1.8
173.09535	0.6
174.09111	0.6
176.10585	0.6
178.08563	0.9
180.10100	0.5
182.11787	2.4
186.12709	0.5
188.10638	0.5
189.09082	1.2
192.10123	0.5
194.11714	0.9
202.08604	0.6
204.10190	2.2
204.13879	2.9
208.13336	0.5
214.12202	0.8
216.10162	0.5
220.13300	0.8
222.14848	0.4
230.11761	2.9
231.12541	0.6
232.13326	28.1
233.13828	0.6
234.14862	1.4
236.16238	0.4
244.13277	1.0
258.14850	2.2
272.12662	0.6
284.16385	0.7
286.17975	2.5
288.15753	0.6
290.13773	0.3
302.13644	0.4
302.17349	0.4
303.14465	0.4
306.17093	0.6
312.15842	0.6
316.15466	0.4
329.16144	3.3
330.16965	4.2
331.17789	16.0
340.19138	1.2
342.20328	0.4
358.20096	2.0
368.18668	1.3
386.19641	4.4
404.20679	100.0
405.21033	2.6
428.16882	0.5
446.17831	0.5
470.79053	0.4
566.18011	1.4
566.26007	20.7
567.19348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2083
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	1.7
55.01868	2.3
57.03422	0.9
61.02942	1.8
65.03928	2.0
67.05492	1.1
69.03438	5.3
71.21782	1.1
77.03949	0.7
79.05498	4.5
81.03409	4.4
83.01381	0.7
85.02908	13.1
91.05489	2.9
93.03393	0.7
94.04179	1.2
95.04956	3.6
97.02881	5.1
99.04436	0.7
103.05459	3.1
105.03387	1.2
105.07039	2.2
107.04954	8.9
109.02873	0.8
109.06547	1.3
110.03643	1.1
111.04398	1.1
113.85101	0.8
115.05453	2.8
117.07024	2.6
119.04923	1.6
121.06523	2.3
122.03633	3.2
123.04423	1.4
124.05188	1.3
125.05956	1.5
127.03929	3.5
128.06221	2.1
129.07007	7.6
131.04912	4.1
131.08585	1.5
133.06482	2.6
135.35957	0.7
137.05978	42.9
142.02650	1.0
143.04941	2.5
144.05678	1.8
145.04947	1.4
145.06506	3.8
147.04407	1.2
147.07994	1.2
149.06001	2.7
151.03912	9.6
151.05029	1.2
151.07565	2.5
152.04539	1.0
153.05466	3.1
155.04890	0.8
155.05978	1.2
155.07060	1.7
157.06471	7.8
159.08069	1.8
160.05116	1.4
161.05977	7.5
161.09622	1.4
163.03824	0.9
163.07523	2.6
165.05463	0.7
167.07040	23.0
171.04393	2.4
171.06520	2.3
172.05191	9.6
173.06026	4.1
174.06833	3.6
175.07542	6.6
177.05447	2.2
177.09155	0.7
179.06978	0.9
181.04951	37.8
187.07568	5.0
189.05482	3.0
189.09055	6.9
191.07045	3.1
195.06531	1.1
200.04634	5.2
201.05389	1.4
203.06995	6.8
203.08580	0.8
204.07613	0.7
205.06830	0.9
205.08563	4.2
207.06554	1.9
209.08020	1.1
211.05965	1.6
215.07014	1.3
217.08498	1.7
218.05722	10.8
219.06419	1.4
221.07939	4.6
227.10693	5.1
233.08083	100.0
234.06517	0.9
234.08551	2.1
235.07555	0.9
235.09514	3.4
245.08008	1.4
247.07611	1.5
248.08423	0.9
249.09137	2.5
251.06931	1.0
251.09085	3.3
262.06192	1.1
263.09171	31.7
265.08551	2.5
276.07901	0.8
277.08649	4.0
279.06445	1.1
281.10419	0.9
281.11783	1.1
285.14813	2.2
291.06424	0.9
291.09882	1.2
293.08124	2.2
294.08844	1.4
295.09555	0.9
297.11356	1.0
301.07208	1.3
305.08118	1.9
307.09576	1.2
309.07733	1.1
309.11099	4.6
316.09570	1.3
319.09744	1.1
321.11279	1.1
322.08148	1.3
325.10449	1.6
337.10733	5.3
339.12274	1.7
341.10086	1.3
341.13797	4.2
342.10925	1.1
343.11511	1.6
351.12335	2.1
353.13794	0.9
354.10995	1.0
357.13428	6.2
369.13309	6.7
371.15005	1.6
375.14175	1.2
387.14374	71.7
388.14624	2.4
389.15909	1.7
405.15427	6.9
473.57559	0.7
567.29181	0.9
590.10938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2075
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	2.5
55.01867	2.5
61.02929	2.6
65.03938	5.6
67.05500	2.9
68.34150	1.6
69.03423	6.8
75.97968	1.5
79.05495	10.4
81.03421	6.0
82.04202	2.3
85.02907	21.7
91.05496	4.5
95.04959	4.8
97.02862	5.5
97.06529	2.0
98.23463	3.3
107.04951	33.3
110.03645	2.6
115.05452	4.9
117.07034	4.3
122.03631	3.3
124.05173	3.9
125.06014	4.7
127.03915	3.4
128.06226	2.6
129.07008	10.6
131.04918	3.9
133.06540	3.0
137.05978	34.9
138.03154	2.9
140.19229	1.6
143.04945	4.0
145.06471	5.5
147.04391	1.8
149.05978	2.3
151.03900	14.0
152.04663	3.4
153.05486	4.0
155.06012	2.4
157.06499	17.2
161.05972	6.1
161.09650	2.2
167.07036	100.0
168.07367	2.2
171.04385	6.6
171.06554	4.5
172.05191	5.2
172.22493	1.8
173.05948	5.8
175.07552	5.0
177.05522	3.1
181.04953	88.5
187.07539	4.0
189.05447	10.5
189.09138	6.5
190.06157	2.3
191.06963	3.5
195.06555	2.9
200.04768	2.0
201.05444	4.2
203.07016	10.1
205.08652	7.7
206.05833	2.2
209.94356	1.8
217.08449	2.6
218.05733	5.3
219.06442	3.6
221.08009	7.8
233.08072	47.9
235.09586	22.0
245.08101	1.8
249.09280	2.1
251.09154	22.4
255.06538	3.3
263.09122	9.3
265.08606	2.2
277.08624	2.7
279.10339	2.0
293.08109	3.9
301.07022	10.9
316.09271	8.0
337.10724	2.1
342.11276	2.7
351.12366	3.5
357.13293	8.4
369.13419	8.8
375.14346	7.8
387.14374	79.4
388.14484	3.0
389.15903	3.2
405.15411	27.5
406.22531	2.7
567.27600	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	567.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.3
65.03944	5.9
69.03427	3.9
70.06606	5.6
73.31377	2.9
75.90741	2.5
79.05508	4.0
81.59942	2.7
83.08621	2.5
85.02910	3.8
91.05466	20.8
93.07045	4.2
94.04183	4.2
95.04974	6.6
95.08615	3.5
98.23447	5.7
100.11263	6.3
103.05470	25.9
105.07027	7.2
107.04931	5.4
115.05470	6.6
117.07014	5.8
118.04137	4.3
119.04929	19.8
121.06507	16.7
122.03680	8.2
123.04443	5.3
128.07083	2.4
131.04915	33.2
133.02855	3.1
133.06517	3.7
135.08034	4.1
137.05972	87.0
145.06488	7.1
147.04395	26.7
148.05182	8.0
151.03905	85.1
151.05035	10.2
151.07538	9.4
156.11319	2.5
156.88353	2.5
161.05975	5.8
162.06866	2.6
163.07544	24.3
165.05487	2.9
165.09056	2.7
167.07039	10.8
173.05975	6.3
175.07602	6.2
177.05507	3.4
177.09154	4.0
179.07071	15.2
181.04962	14.0
182.15446	3.3
191.07022	100.0
205.08635	4.3
207.10255	3.4
209.08105	6.5
210.14885	4.6
235.09633	3.3
263.09183	8.9
279.82361	2.8
283.15768	3.1
285.14859	38.7
324.19791	4.0
327.12222	4.1
329.14023	3.2
355.11743	11.4
369.13263	4.1
370.20016	20.4
387.14594	15.1
423.17847	2.7
517.18341	9.1
567.22876	10.3
567.31281	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15069	1.0
51.94786	0.9
53.19542	1.0
54.44629	0.9
55.05518	1.2
65.03905	1.4
69.97589	2.8
70.06609	1.2
73.06541	1.1
79.05492	3.1
83.31191	1.3
87.23261	1.1
91.05482	11.5
93.07021	1.1
93.96220	1.1
95.04970	2.9
103.05463	2.8
105.07027	7.6
107.04938	1.8
109.06514	1.6
115.05460	4.4
117.07022	4.1
121.06505	18.3
123.08095	5.9
125.05971	1.1
130.04141	4.5
130.89600	1.1
132.05739	2.3
135.04424	5.6
135.08055	9.0
137.05974	3.2
139.07541	2.4
145.06476	15.6
147.08054	2.9
149.09590	2.5
150.06754	31.9
151.07545	32.0
159.08066	1.0
160.05176	4.5
161.06001	1.4
163.07558	5.7
165.09108	32.3
173.07166	2.2
175.07545	100.0
176.07985	1.1
177.09157	1.5
179.08720	1.2
185.06010	2.5
189.09067	2.5
195.08052	1.3
207.41745	1.1
210.06691	1.5
223.07523	1.7
224.08333	7.0
225.09158	1.6
226.06256	3.7
237.09134	1.1
238.09796	1.8
239.10620	5.2
241.08525	8.0
251.07173	1.6
251.10692	1.9
253.08624	3.6
253.12263	2.0
255.10088	2.1
256.26392	2.7
265.08588	2.6
266.09317	1.3
267.10129	19.7
268.10837	1.4
269.11499	1.4
281.07990	1.4
281.11694	5.8
282.12476	4.6
283.09644	4.0
285.15039	1.2
298.12119	2.3
299.12766	5.3
313.14334	71.7
314.14825	1.8
327.10333	1.4
340.11011	1.4
341.11737	8.1
355.13364	1.6
369.11215	1.5
370.12198	1.4
371.12775	1.4
383.12784	4.0
384.13544	16.9
385.14218	1.8
397.14346	3.5
398.14969	5.5
400.13211	1.8
401.13681	1.5
415.15402	16.4
415.20648	1.7
429.16772	2.5
451.15540	2.0
507.17615	2.1
535.21027	3.9
549.22614	12.0
566.44366	2.3
567.23767	13.0
567.44995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2782
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
57.69128	0.7
67.05508	1.4
79.05506	1.3
81.03415	1.6
81.07067	1.7
85.02929	0.7
91.05534	1.9
93.07048	1.8
95.08607	1.2
97.89710	0.7
100.57315	0.7
105.07085	0.8
119.08599	0.9
121.10159	1.3
129.07028	0.8
147.11653	1.2
149.09610	1.0
185.04253	1.5
193.12276	2.1
203.05267	2.0
251.12547	7.6
259.07874	2.3
267.15845	1.0
283.15228	5.3
307.15237	3.4
331.10056	3.4
339.17795	3.4
373.14737	1.1
387.21259	1.8
396.21109	1.1
405.22278	1.2
455.19092	1.9
469.20416	5.0
549.26721	23.3
550.26886	1.1
567.28998	100.0
568.27728	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	567.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38216	0.9
67.05495	1.8
74.70039	0.8
79.78651	0.8
81.07063	0.9
81.64377	0.9
81.64995	0.8
91.57069	0.8
98.23443	1.9
109.10148	1.2
142.54451	0.8
185.04221	1.7
201.24391	0.9
243.65096	1.0
268.53195	0.9
268.67813	0.9
283.15134	0.9
307.14902	1.0
331.09857	3.4
339.17941	1.2
393.05350	1.0
405.21811	1.4
424.15826	0.9
455.18628	1.4
469.20383	4.2
495.24979	3.6
549.26672	18.9
567.27515	100.0
568.27765	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	567.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25069	0.3
55.05521	0.5
57.03440	0.5
67.05518	1.2
69.03445	0.3
69.07063	0.4
71.04993	0.8
79.05502	0.9
81.03435	1.6
81.07069	1.4
83.08629	0.8
85.02913	1.2
90.49583	0.3
91.05492	1.6
93.07050	1.2
95.04975	0.7
95.08602	0.6
97.06578	0.3
98.23535	0.8
105.07063	1.1
107.04913	0.3
107.08616	1.0
111.08112	0.4
114.03743	0.3
119.08605	0.5
121.10159	0.8
122.99572	0.3
123.14253	0.3
129.07025	0.4
131.08612	0.9
133.10115	0.7
147.11699	0.5
149.09625	0.9
156.44600	0.3
157.10173	0.5
187.92329	0.3
191.91341	0.3
193.12297	0.5
233.11536	0.8
251.12505	1.0
283.15158	11.1
284.15524	0.4
285.16956	0.4
307.15314	1.1
339.17789	4.9
567.31427	100.0
568.31775	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.8
57.03441	1.6
59.05000	2.4
67.05498	10.0
68.28563	1.2
69.03434	9.9
69.07072	5.6
69.28294	7.2
71.04635	2.2
71.04993	24.4
77.77245	1.2
79.05511	6.9
81.03421	4.1
81.07063	13.8
83.04990	2.8
83.08634	4.1
85.02893	4.6
85.06539	3.7
88.01299	1.2
88.27242	1.3
91.05460	6.8
93.07047	11.5
94.05504	1.2
95.04967	2.9
95.08614	11.5
97.02895	2.1
97.06534	2.9
97.10168	2.5
99.04424	1.9
99.08088	8.4
105.01871	1.7
105.07027	12.0
107.08596	16.3
109.06542	2.9
109.10153	17.7
111.08067	10.2
113.09655	4.2
117.07046	2.8
119.08594	11.1
121.06487	1.5
121.10152	8.4
123.08076	3.3
123.11772	3.2
125.09630	19.1
127.03950	3.7
127.07559	6.6
127.11185	34.7
129.07011	2.5
131.08562	9.6
133.10146	10.3
135.08090	2.9
135.11708	3.6
137.09592	3.4
139.11159	2.6
142.07777	2.0
143.08574	5.0
143.10674	18.9
145.04915	1.3
145.10133	12.5
147.11714	6.7
149.09602	2.3
149.13210	2.2
151.11182	2.0
155.10664	57.8
157.10110	11.7
159.02890	1.8
159.11710	13.6
161.09599	2.6
161.13232	2.1
163.11185	2.2
165.12788	2.5
169.10143	5.2
169.12248	2.0
171.11670	3.9
173.09581	1.9
173.13292	4.1
175.11232	3.4
175.14865	3.2
181.10107	1.8
181.12198	3.8
183.11787	2.6
183.13815	4.3
185.13307	6.5
187.11206	1.5
187.14822	2.7
191.14317	3.4
193.12285	2.0
193.15875	3.6
195.11673	2.2
197.13286	9.6
199.14841	4.0
201.12758	1.2
201.16289	1.7
203.14233	1.6
209.13307	3.4
209.15390	6.2
211.14850	4.1
211.16954	3.4
213.16476	2.4
215.14325	2.6
223.14787	1.5
225.16396	2.0
227.14224	1.6
229.15950	2.2
231.04976	1.8
243.17477	3.0
245.18985	1.8
251.12593	7.3
263.20148	3.0
265.19574	2.6
267.20953	2.0
271.20645	2.0
283.15115	5.4
283.20648	10.1
285.22113	3.1
289.21756	2.8
297.22177	2.1
301.21582	9.2
303.23209	4.2
307.15103	4.0
315.23248	5.7
339.17841	3.8
345.24332	1.4
349.25305	1.4
351.21356	1.8
355.26382	2.1
367.26370	3.4
435.32620	8.0
445.29242	1.9
453.33661	29.2
471.34705	47.2
472.34998	2.7
477.24524	2.5
495.25012	1.7
513.35583	1.4
531.36743	7.8
567.31854	100.0
568.32129	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	568.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01869	0.7
57.03432	0.9
61.02937	0.8
65.03930	0.7
66.70117	0.6
67.05513	0.6
68.05017	0.8
69.03430	5.2
69.07077	1.1
73.02895	1.2
79.05493	1.4
81.03419	3.6
81.07055	2.5
83.04958	0.5
83.08635	0.6
85.02910	11.5
85.06567	0.5
86.09700	0.8
87.00832	1.5
87.04475	1.8
91.05489	2.4
92.04990	0.6
93.07051	1.3
95.04951	0.7
95.08636	1.4
97.02906	3.6
97.06534	0.7
99.04446	2.2
103.05451	1.1
105.01863	1.5
105.07013	1.4
107.04964	13.0
109.02862	1.9
109.06510	1.3
109.10143	0.8
115.03938	2.9
116.04977	9.6
119.04911	1.2
120.04457	2.5
121.10161	1.0
123.04418	1.5
123.11692	0.7
127.03931	6.3
128.04964	1.1
129.04494	2.4
130.06543	1.0
131.05988	0.7
134.06017	2.0
135.04478	0.6
135.08038	0.8
137.05989	4.8
145.04988	3.8
146.06039	2.6
146.19716	0.6
147.04399	0.9
149.71838	0.5
151.07520	1.5
151.14700	0.7
155.06047	1.3
156.04462	1.1
156.06845	1.5
160.70393	0.5
160.84557	0.5
161.06029	0.9
165.09148	3.2
174.05521	19.7
183.05629	1.0
184.07329	1.7
189.09116	1.0
191.07108	0.7
232.13364	1.3
257.11725	1.2
259.08084	0.7
275.12781	5.6
285.11325	1.5
287.12631	3.1
299.12723	1.7
302.09244	100.0
303.09555	3.8
317.13834	2.9
320.10336	17.6
321.10272	0.6
341.13773	1.9
365.13895	3.4
383.14828	3.8
388.21118	4.8
406.22253	13.4
406.27179	0.5
491.33694	0.6
568.21552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
55.63501	2.0
66.95963	2.2
67.43053	1.7
68.07635	1.8
69.17973	12.2
70.06580	5.4
71.01366	14.3
74.06055	1.7
76.80140	2.1
79.05487	3.8
79.15565	1.8
83.26296	1.8
84.08109	2.3
86.01762	1.7
91.05469	7.5
95.04978	17.1
100.07626	4.1
103.05461	8.8
107.04939	8.2
111.04447	2.6
111.08099	2.1
117.03393	2.6
118.04154	4.2
119.04951	3.3
121.06503	3.3
123.04409	15.4
125.05992	8.4
131.04901	3.2
133.02882	4.5
135.04407	16.4
136.90207	2.4
137.05962	6.6
145.02786	3.8
146.03625	6.4
147.04420	8.6
149.05994	7.7
150.06775	8.2
151.03908	100.0
151.04929	4.1
153.05470	13.7
157.13385	3.4
161.05936	4.4
163.03906	28.7
165.05464	5.3
166.06236	3.1
167.07030	7.4
174.76045	2.0
175.07483	2.6
177.05525	12.6
178.06258	69.9
178.98763	2.4
193.05006	16.7
194.05634	2.0
195.06505	29.1
196.07306	47.4
203.07054	4.4
219.06503	12.8
220.09700	17.3
234.11179	2.3
237.07565	14.5
319.16501	2.0
339.08575	3.4
341.10242	3.9
353.10153	2.5
371.11154	13.6
389.12305	69.5
389.17340	3.7
390.12512	3.9
568.28674	4.8
569.30115	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	568.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35892	0.8
55.01854	0.9
56.35083	0.8
56.35341	0.7
61.02921	1.4
66.39737	0.8
69.03432	3.2
70.06595	1.4
70.52881	1.1
70.53578	0.8
71.01315	0.9
78.04715	1.3
79.05489	3.1
85.02903	4.3
91.05468	6.0
91.96150	0.8
94.03753	0.8
95.04964	2.0
97.02908	2.2
103.05448	1.9
105.07036	3.7
107.04957	5.3
111.16724	0.9
115.05466	1.1
117.06985	1.5
119.04900	2.0
119.08579	0.9
120.32005	0.8
121.06494	1.0
123.04416	4.2
124.05223	1.8
129.07001	2.8
131.04944	2.7
132.05730	1.3
133.06465	2.8
135.04401	1.1
136.05214	1.6
137.05957	2.3
140.04681	1.2
145.04977	1.6
145.06456	2.1
147.04449	1.2
147.08067	2.8
149.06030	0.9
151.03906	3.6
151.07538	3.2
152.04700	1.5
153.05389	1.5
155.07043	0.9
157.06540	1.0
159.08081	1.6
161.05972	7.6
163.07544	1.2
167.07030	100.0
168.07384	1.3
175.07552	20.1
176.04739	0.9
177.05516	1.3
178.06248	1.4
179.07034	10.8
180.08717	1.6
183.77002	0.8
187.07559	9.9
189.07147	0.8
189.09149	1.4
191.06999	11.1
191.08455	1.3
193.08604	2.6
195.06416	1.0
196.07259	0.9
199.07498	3.0
203.08652	0.8
203.89430	0.9
205.08601	6.0
209.08098	2.7
217.08636	3.1
219.08167	1.0
221.09738	2.1
224.68459	0.8
231.08263	1.2
234.06670	1.5
235.07545	1.4
247.07533	1.1
249.09045	2.6
261.09131	1.1
263.06949	1.3
277.08566	1.1
281.11670	3.8
283.09735	1.0
285.14853	1.3
289.08459	1.9
291.09991	0.8
293.11804	1.0
295.09766	1.2
307.09714	1.7
309.11118	5.0
311.08966	1.2
321.11246	2.4
326.11490	2.5
334.25058	0.8
339.12338	1.2
341.10394	0.9
341.13834	18.8
349.19162	0.8
353.13809	7.7
359.14923	8.5
371.10757	1.0
371.14944	11.2
389.12067	1.8
389.16257	1.1
406.22083	1.3
448.19400	1.1
568.27490	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	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19093	1.8
55.01865	2.3
61.19015	1.9
70.06593	6.7
72.08179	4.4
79.05499	10.7
81.03400	4.6
84.08133	2.9
85.02898	4.9
86.09693	2.8
91.05481	5.9
94.54901	2.0
95.04984	4.1
100.07639	3.3
100.11252	4.0
103.05473	3.3
105.03394	2.7
105.07027	7.0
107.04967	14.4
107.94291	1.8
115.05495	6.8
117.07024	6.6
119.08600	3.7
120.08102	2.1
122.03632	3.0
123.04443	7.6
124.05190	3.1
125.05995	3.2
128.06224	2.3
129.07007	12.7
131.04926	4.0
131.08551	2.6
133.06496	6.2
137.05974	40.1
140.61302	1.9
143.05008	4.3
143.06146	2.5
144.05681	2.3
145.05396	2.6
145.06480	13.0
146.51381	2.1
149.06061	2.2
151.07603	2.4
153.05458	3.1
155.06032	2.7
156.05742	3.8
157.06511	3.6
157.13342	3.9
159.08040	9.1
160.05200	7.6
161.05963	13.4
163.03938	16.5
163.07594	4.0
167.07037	100.0
168.07504	2.0
172.05202	6.4
173.05994	21.9
175.07547	59.9
177.05403	2.9
181.08627	3.7
187.07533	43.0
187.09045	3.4
189.07211	2.1
189.09090	7.3
190.06258	7.9
191.07095	6.2
199.07512	7.5
203.08623	4.4
205.08588	41.0
206.07257	3.3
217.06612	3.0
217.08557	20.8
218.07256	4.2
219.08171	2.8
220.09647	6.5
221.09627	5.1
223.07515	3.2
227.10593	3.5
231.08009	4.2
233.09676	3.6
234.06699	2.7
235.07483	2.5
235.09608	22.1
241.08713	2.7
246.06662	2.2
247.09689	2.2
249.09077	9.1
250.09959	2.6
251.07121	4.1
261.09033	5.4
265.10681	16.0
266.09351	4.1
277.08679	6.5
281.11725	18.1
289.08487	4.4
291.09933	2.0
293.11780	6.0
294.08875	4.5
295.09641	2.6
300.09821	3.9
309.11145	19.8
310.12094	3.2
321.11142	8.7
341.13821	68.5
343.15234	1.8
353.13751	21.8
371.15021	17.0
374.34393	2.3
422.62503	2.1
567.43243	9.0
568.28772	8.7
568.43024	2.6
569.30450	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97277	1.2
55.01868	2.0
56.48066	1.2
61.02939	1.8
69.03422	5.8
71.45858	1.1
79.05491	4.6
81.03409	7.4
85.02907	17.2
91.05476	4.6
95.04951	2.0
97.02898	5.2
97.74971	1.3
103.05484	2.5
105.07050	3.1
107.04958	10.2
109.02850	1.6
115.05437	8.6
117.07022	11.8
122.03671	3.3
123.04446	4.8
124.05222	2.0
125.06004	1.6
127.03917	4.1
128.06180	1.8
129.07047	6.8
131.04892	7.2
131.08569	3.0
132.05731	2.0
133.06490	3.0
137.05983	82.1
141.06956	1.5
141.72675	1.3
143.04927	7.9
144.05724	4.0
145.04987	4.5
145.06482	26.1
147.08055	2.6
149.05968	1.9
153.05464	2.0
155.06055	3.5
156.05743	2.9
157.06490	6.0
159.08095	4.9
160.05191	14.0
161.06018	8.7
162.07608	2.0
163.07549	4.2
167.07030	44.1
172.05136	1.7
173.05984	37.8
174.06703	2.0
175.07545	100.0
177.05508	2.6
180.08688	5.1
184.05249	2.2
187.07552	38.6
189.09117	5.3
190.06274	17.0
191.07001	3.3
193.08621	11.0
199.07539	2.1
201.09030	2.0
202.06271	2.5
203.07030	4.8
205.08598	84.5
217.06638	2.7
217.08611	32.4
219.08163	1.7
219.10135	3.5
223.09605	1.6
227.10632	5.2
234.06639	1.6
235.07666	1.8
235.09657	47.2
241.08533	2.8
247.09689	8.1
249.09132	3.2
261.09097	3.6
265.08121	2.3
265.10742	35.2
277.08466	2.1
278.09225	2.1
281.11786	3.5
285.07538	4.7
293.11755	3.0
300.09863	5.2
301.10529	2.9
309.11218	3.6
313.11002	1.8
321.11362	6.9
326.11655	1.4
341.13840	11.2
353.13840	15.2
355.15182	1.7
371.14917	25.1
547.57104	1.2
568.28400	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01865	1.2
56.54926	0.5
57.99965	0.5
61.02906	0.7
68.99780	0.7
69.03429	2.5
70.27089	0.6
70.27414	0.6
71.04972	0.7
73.02893	0.7
79.05479	1.9
81.03410	2.2
85.02906	6.5
87.00822	2.1
91.05486	3.3
97.02882	2.9
99.04450	1.1
103.05481	1.2
105.01867	1.9
105.07030	8.8
107.08600	2.8
109.02891	2.0
110.38557	0.5
115.05454	1.8
117.07021	2.1
120.05759	0.7
121.06543	3.1
123.08071	1.6
127.03947	4.0
129.01848	1.2
132.05666	1.3
133.06502	3.6
135.04424	2.9
135.08054	6.0
137.06026	0.7
137.09618	3.1
139.07527	1.3
145.04970	1.9
147.02873	1.2
147.08060	3.4
150.06764	41.8
151.07550	13.4
157.38400	0.6
159.02901	1.2
159.08072	1.0
161.09671	0.8
165.09120	100.0
166.09406	0.8
174.06755	2.3
175.07582	2.3
177.09090	0.5
184.07408	1.3
189.09111	6.7
216.17616	0.6
217.08653	2.0
231.04979	0.6
231.10211	1.9
233.27635	0.6
239.10828	0.5
255.10255	1.3
271.13293	0.7
273.11288	1.3
297.14816	7.7
303.15906	41.3
313.14346	1.5
324.13321	0.8
327.15927	14.4
339.15863	1.6
345.16946	2.3
369.16986	20.7
393.16968	9.3
411.18030	5.4
433.27686	0.7
484.32828	0.5
497.17621	0.8
515.18970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75388	0.8
53.03950	4.7
55.01870	5.5
57.03436	7.3
61.02632	1.1
61.02927	11.1
65.03921	1.3
67.05495	2.1
69.03429	40.6
69.57116	3.2
71.01324	0.9
71.05002	3.6
73.02917	9.8
79.05502	6.4
81.03417	28.9
81.07060	16.8
82.22974	0.8
83.01355	1.1
85.02904	100.0
87.04467	23.6
91.03965	7.2
91.05470	7.3
93.07063	1.2
95.04970	4.0
97.02893	35.1
98.23389	1.1
99.04440	6.5
101.02347	1.3
103.03951	6.9
103.05462	3.3
105.07026	12.4
107.04977	7.6
107.08631	0.8
109.02878	17.3
109.03630	1.1
109.05769	0.9
109.06514	15.7
109.10114	0.8
111.04472	0.9
115.03933	48.1
117.07022	1.6
119.04961	1.5
121.06503	4.0
121.08591	0.6
123.04432	23.0
123.08084	0.8
127.03917	44.4
133.04985	8.5
133.06477	2.0
135.04373	5.2
135.08035	5.7
137.05980	63.4
139.07564	2.9
145.04962	47.9
145.10063	0.9
147.04388	4.4
147.08067	1.0
149.05983	4.4
149.09630	1.3
150.06792	3.2
151.07532	18.0
152.08334	3.5
153.09105	5.2
157.04935	2.4
158.07152	1.1
161.05975	6.7
163.06007	5.5
163.07523	2.7
165.05411	1.4
165.09116	55.3
174.06763	1.5
175.05991	2.4
175.07574	6.8
176.08307	1.2
177.09135	4.0
178.09877	1.1
179.10681	3.7
184.07332	1.5
187.06038	1.2
188.08374	1.8
188.09947	0.7
189.05623	1.4
189.09093	8.2
190.09854	1.0
191.10660	1.3
193.08664	1.5
196.08766	1.1
196.67703	0.7
199.07594	1.0
201.09023	1.6
203.07018	1.1
203.10695	1.6
207.10165	1.8
211.07506	1.2
211.72592	0.7
213.05614	0.9
213.09171	1.3
217.07077	2.3
219.10277	0.8
224.08287	0.9
225.09123	0.8
227.07025	1.9
227.10620	2.2
229.08566	2.3
231.10201	1.8
240.07860	1.5
241.06891	1.4
242.09436	1.4
243.10205	1.3
246.90338	0.7
247.09738	0.7
251.07051	1.3
253.08670	0.9
255.10187	2.9
257.11884	0.9
259.07980	11.2
267.10242	1.8
269.11743	1.7
270.08704	0.9
273.11182	2.0
275.12775	96.2
276.13113	2.4
277.09164	3.3
283.09637	3.0
283.26572	0.8
284.10269	1.2
285.11230	19.0
287.12778	41.0
288.13113	1.1
291.10156	1.7
293.08093	4.4
294.08926	3.1
295.09583	1.1
296.10403	2.3
297.11249	3.0
299.12766	23.7
301.10876	4.0
305.11929	1.2
307.09619	1.3
309.11145	6.4
311.12769	2.4
313.14340	2.9
316.11002	0.9
317.13831	56.6
318.14212	1.5
321.11349	1.0
322.12039	1.4
323.12717	3.3
333.11151	1.6
337.14270	1.4
341.13806	23.0
347.12766	1.4
353.13568	0.9
355.15369	3.0
365.13846	56.4
366.14142	1.8
383.14890	86.0
384.15137	2.7
401.15869	5.3
479.16840	2.2
497.17917	6.0
515.18896	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	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
55.01863	9.0
57.03422	4.6
69.03436	31.2
70.06593	5.8
70.16298	9.1
71.04996	9.6
73.02917	7.6
79.05482	6.6
81.03411	23.4
85.02908	80.2
86.09706	5.9
87.00830	26.3
88.87124	3.9
91.05486	16.0
93.07006	6.1
97.02895	23.0
99.04455	16.7
102.11756	5.0
103.05518	4.7
105.01874	18.0
105.07020	21.9
107.04958	5.0
109.02879	18.5
121.06505	18.5
123.08047	8.2
127.03925	56.8
129.01891	5.2
135.08054	77.2
136.05197	36.5
137.05957	7.8
145.05005	19.1
149.09579	5.8
151.07552	71.3
159.01746	3.8
159.02846	19.3
163.07501	6.5
164.08322	4.9
165.09113	8.9
169.27565	4.2
175.07552	8.9
177.09119	5.5
179.10622	29.3
180.07785	13.3
184.07367	8.8
193.08589	7.3
195.10222	11.5
201.23085	3.9
213.03993	4.1
217.08644	7.3
231.05003	8.3
236.65300	3.6
246.65141	4.5
258.26041	4.2
271.13303	10.9
285.14941	18.3
303.15909	100.0
313.14139	10.2
327.15820	6.7
345.16965	16.9
369.16806	8.3
386.23206	17.3
393.16992	13.1
411.18042	8.1
568.26990	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18301	2.4
57.03436	4.5
69.03433	31.3
69.96027	7.0
70.87337	2.6
79.05476	3.1
85.02909	23.3
87.04472	17.4
91.05480	21.5
97.02905	18.3
100.11229	4.0
105.07032	5.5
107.04961	9.9
111.04424	5.2
115.03956	23.5
119.04945	27.6
121.06527	5.5
133.04980	23.0
133.06493	10.2
135.02544	2.5
135.08093	2.7
137.06059	4.2
138.06769	4.1
139.07526	5.2
145.06496	4.1
149.06003	3.0
151.03865	2.7
151.07544	6.9
163.03873	9.0
175.07581	6.5
181.06387	4.0
182.15419	3.6
193.08589	5.1
196.08810	2.2
197.09624	2.6
210.14832	4.6
217.08640	2.9
220.09552	5.6
227.10570	2.2
231.10077	2.9
242.09506	2.6
249.11153	6.9
257.11731	100.0
258.12198	4.1
267.10132	2.9
269.11707	55.0
281.11761	16.1
299.12793	22.4
305.11621	2.6
323.12640	3.8
335.12753	3.2
365.13660	3.5
420.95010	2.4
568.27917	6.7
569.29669	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64723	1.7
55.01870	3.0
57.03451	1.7
57.04018	1.6
68.99796	1.9
69.03426	5.7
69.38878	9.1
72.02955	1.5
73.02907	2.2
75.30272	1.5
77.57452	1.5
79.05495	1.5
81.03436	5.4
85.02900	20.0
86.09726	2.9
86.38779	1.6
87.00826	8.8
91.05494	6.9
93.07044	3.7
95.04967	4.2
97.02897	7.4
98.23477	2.8
99.04475	3.5
103.05436	3.0
104.21585	1.6
105.01866	5.7
105.07021	8.0
108.04506	1.8
109.02901	5.2
117.01863	2.0
119.04946	4.1
119.08623	3.1
121.06513	6.5
123.08095	5.7
127.03925	8.3
129.01830	2.9
129.95120	1.6
131.26421	1.8
135.04384	3.4
135.08044	4.3
136.05194	21.6
137.05992	1.5
137.09618	1.6
145.04964	6.1
147.08078	2.4
150.06761	52.4
151.07545	69.0
159.02925	4.8
161.09642	2.2
165.09119	100.0
175.07513	3.0
179.10648	23.1
184.07359	7.9
189.09109	4.1
198.52165	1.6
217.08710	2.2
231.05008	2.8
231.09979	2.6
257.11417	3.6
297.14844	8.8
303.10245	3.2
303.15906	76.5
319.09982	4.6
320.10342	6.8
327.15903	13.1
345.16809	3.8
351.15512	2.1
355.33813	1.9
369.17032	18.9
393.16714	9.7
411.17987	5.7
470.25238	2.3
568.28876	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	568.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01864	1.9
55.05508	1.7
57.03421	3.5
57.07080	1.0
61.02894	3.3
66.61012	0.8
67.05473	3.2
69.03433	15.7
70.06599	5.0
71.04992	4.4
71.46290	1.0
73.02892	2.7
77.40733	0.8
78.36441	0.8
79.05479	2.8
80.04994	2.3
81.03430	4.8
81.07067	5.5
83.01324	1.1
83.04966	3.0
83.08615	1.2
84.08124	2.0
84.26327	0.9
85.02912	23.1
85.06522	1.8
87.04440	3.7
91.05486	4.6
91.21184	0.8
93.07059	4.4
94.06565	1.4
95.04967	12.5
95.08566	2.2
97.02903	7.4
97.06493	3.9
99.04454	4.7
101.02393	1.1
105.07056	4.4
106.06532	3.2
107.04925	2.0
107.08578	5.9
108.08023	1.1
109.02832	3.2
109.06512	5.6
109.10130	4.8
111.08042	2.2
112.07591	1.4
115.07538	1.7
117.07004	1.3
118.06450	1.1
119.08555	3.4
120.08015	1.6
121.06487	2.9
121.10166	5.1
123.08037	1.1
123.11662	1.9
125.09599	1.6
127.03117	0.9
127.03927	8.1
128.07086	0.9
130.06511	1.7
131.08557	1.9
133.09125	0.9
133.10103	6.6
134.09566	1.7
135.04393	1.4
135.08002	2.0
135.11618	1.4
136.07578	2.0
136.11186	1.1
137.05936	3.3
137.09460	1.2
145.04915	3.0
145.10031	1.8
146.09625	1.9
147.07982	1.0
147.11612	3.4
149.09679	1.0
149.13214	2.2
151.11130	3.8
152.10669	1.3
153.09087	4.9
155.03299	1.2
155.06956	1.4
157.09863	1.1
158.09634	1.3
159.07982	1.2
159.09161	1.3
160.07556	1.7
162.09142	1.5
163.06033	1.7
163.07570	1.7
163.14720	2.9
165.05458	2.1
165.09032	1.4
167.14284	2.7
173.13269	6.3
174.93758	1.1
175.08603	1.6
175.11220	1.1
175.14752	4.3
176.10646	1.3
179.07053	1.5
181.08655	1.1
182.11758	2.0
183.06485	2.8
186.09047	2.0
191.14339	7.3
204.10178	8.9
205.10837	1.1
209.15376	23.3
214.15724	1.1
219.10135	1.2
222.11244	9.3
227.16319	2.7
232.16942	1.4
242.11752	1.2
247.09686	2.4
260.12677	2.5
273.11084	1.4
278.17535	2.0
370.16315	1.3
388.17206	3.8
388.21436	1.8
406.18350	54.9
407.18683	2.5
568.23608	100.0
569.24078	4.6
595.17542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.6
57.03381	1.1
61.02871	1.1
67.05448	1.2
67.05779	0.3
68.04996	0.5
69.03432	11.6
69.03783	0.7
70.06593	1.6
71.04931	2.2
73.02921	1.5
76.85946	0.3
79.05492	2.0
80.05019	6.5
81.03411	1.6
81.07060	1.8
82.06535	0.8
83.04912	0.4
84.04475	0.3
84.08076	1.3
85.02903	6.6
86.09633	0.3
87.04396	0.9
90.78929	0.3
91.03949	0.4
91.05466	1.5
93.07047	1.4
94.06570	4.7
95.04916	0.5
95.08539	1.2
96.08064	1.1
97.02895	2.9
97.06477	0.7
99.04400	1.2
105.07030	1.7
106.06473	0.4
107.08507	0.8
108.08054	0.8
109.02804	1.0
109.06516	2.0
109.10102	0.3
109.77587	0.2
110.07138	0.4
110.09644	0.8
111.08029	0.5
112.07528	0.3
115.89456	0.3
117.06927	0.5
118.06571	0.3
119.08512	0.9
120.08040	0.9
121.06441	1.0
122.09663	13.4
123.04359	0.5
123.08015	0.4
124.07530	0.5
124.11163	1.0
125.05972	1.4
127.03932	1.4
128.07004	1.2
131.08472	0.7
132.08043	0.5
133.06409	0.6
134.09592	0.8
135.04346	1.0
135.08051	0.3
136.07587	0.3
136.11145	1.2
137.05931	1.0
138.12735	0.4
139.07498	0.4
145.10077	0.5
146.09592	0.5
147.08023	0.4
147.11703	0.3
148.11211	0.4
149.05954	0.4
150.09143	17.6
151.07472	0.6
151.09514	0.4
152.10687	1.8
153.05389	1.1
154.12173	1.0
157.09975	0.3
160.11230	0.6
161.09540	0.3
162.09120	0.4
162.12747	1.0
164.10678	0.3
164.14320	0.6
168.10205	24.0
172.11143	0.4
173.09616	0.6
177.05434	0.4
178.12228	0.4
182.11777	6.7
184.13358	1.4
188.14313	0.4
189.09021	0.4
190.12213	0.5
192.13808	0.6
200.14308	0.4
202.12202	0.4
204.13686	0.7
206.15295	0.7
208.13208	0.4
210.14781	0.4
216.13773	0.7
218.15379	0.4
219.10114	0.8
220.13269	1.0
221.11737	2.0
222.14816	0.7
234.14903	8.0
236.16441	2.5
237.11263	3.4
239.12766	0.9
244.16849	0.3
246.14536	0.4
252.16052	0.4
253.16136	0.4
260.16422	0.9
262.17969	2.8
264.19458	0.3
266.13821	0.4
272.16284	0.5
276.15967	0.3
278.17526	4.5
280.19037	1.3
288.16010	0.3
290.17548	1.5
306.16995	0.4
308.18549	10.4
314.17487	2.2
332.18533	4.2
342.20584	0.6
350.19785	0.4
360.21658	2.3
362.23676	0.4
370.20108	0.4
370.27151	0.3
379.17371	0.3
386.19482	0.9
388.21167	9.7
389.21597	0.7
406.22247	100.0
407.22595	4.4
448.23087	0.8
550.26807	0.8
568.27539	43.6
569.27942	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	568.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05474	0.8
57.03408	0.6
57.07043	0.5
59.37617	0.3
61.02884	0.8
65.03921	0.3
66.36337	0.3
67.05498	1.3
68.05033	4.5
69.03432	5.9
69.07025	1.0
69.12897	0.2
71.04952	0.8
71.08598	0.6
71.46613	0.3
75.75089	0.2
79.01416	0.3
79.05504	1.6
80.04980	0.5
81.03423	1.5
81.07058	4.0
82.04163	0.3
82.06596	1.8
82.07363	0.3
83.01325	0.5
83.01776	0.3
83.04929	0.3
83.08579	0.5
85.02905	6.0
85.06499	0.7
86.06048	0.4
87.00806	0.7
87.04451	0.5
91.05432	0.8
93.07062	1.3
94.06562	2.2
95.04934	0.8
95.07318	0.5
95.08553	0.9
96.08081	0.7
97.10110	0.3
99.04401	1.0
99.08092	0.6
105.01803	0.9
105.06972	0.9
107.04924	0.8
107.08548	1.0
108.08087	0.3
109.02884	1.2
109.06530	1.7
109.10120	0.8
111.08036	0.8
112.11212	0.3
113.05976	0.3
115.03945	0.4
119.08520	0.5
120.08037	0.3
121.06468	0.5
121.10084	0.8
122.09669	0.5
122.10461	0.3
123.08037	0.6
123.11695	0.5
124.11232	30.0
125.05980	2.1
125.09623	0.5
125.11534	0.5
127.03922	2.7
133.10130	0.4
135.10428	0.4
136.11143	1.0
137.05919	0.7
137.09555	0.3
137.11899	0.3
137.13248	0.3
138.12730	0.8
139.07558	1.3
141.05428	0.7
142.11208	0.4
142.12279	7.8
143.07007	0.3
144.34676	0.3
145.04918	1.0
145.10106	0.9
147.07962	0.5
148.11201	0.3
149.09483	0.3
150.12779	0.3
151.07541	1.2
151.11237	0.3
153.05469	7.3
159.07990	0.4
159.11615	0.3
162.12778	0.2
163.11183	0.3
164.14310	0.5
165.14871	0.2
167.07054	2.7
167.10707	0.4
169.08636	0.4
173.09575	0.3
177.09096	0.3
177.12721	0.3
181.12250	0.3
187.11137	0.5
189.08997	0.3
191.10641	0.4
195.06523	0.9
195.10222	0.3
195.85207	0.3
204.13751	0.7
205.08589	0.5
206.11391	0.3
206.15320	0.3
214.15962	0.5
215.10640	0.5
219.10162	0.6
221.18925	0.3
232.16988	0.4
233.11739	0.7
234.18526	0.3
237.11220	2.8
239.20076	0.5
251.12726	0.3
260.16479	0.5
262.18054	2.0
284.25906	0.5
290.14270	0.4
290.17490	7.4
302.26828	0.5
320.27951	0.9
335.25778	0.6
344.14987	0.3
346.15851	0.3
353.26767	0.3
360.21762	0.8
364.80716	0.3
373.18942	0.5
388.21185	59.4
389.21518	2.4
406.22247	100.0
407.22546	3.7
410.19675	0.5
568.25580	0.8
568.33374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01868	0.7
55.05516	0.7
55.99478	0.5
57.03451	1.3
57.07067	0.7
60.04532	1.1
61.02928	1.5
62.17509	0.5
65.03934	0.7
67.05502	2.2
68.05032	1.6
69.03435	6.3
69.07072	2.2
71.05010	1.3
71.08642	1.1
73.02912	1.2
78.86857	0.5
79.05495	2.8
80.05031	1.3
81.03414	2.6
81.07065	5.0
82.06594	0.6
83.04972	1.6
83.08615	1.0
85.02906	8.9
85.06564	0.8
86.06082	1.3
86.09716	0.6
87.04457	0.7
89.51116	0.5
90.89631	0.5
91.05479	1.8
93.07037	2.8
94.06566	3.3
95.04956	0.9
95.08615	2.4
97.02892	3.3
97.06544	4.4
99.04453	1.8
99.08110	1.1
104.10769	0.6
105.07044	2.9
107.04979	0.9
107.08606	2.2
109.02882	1.6
109.06512	3.0
109.10196	1.4
111.08056	1.0
114.12811	1.8
115.03895	0.6
119.08572	1.6
121.06483	1.3
121.10155	1.9
122.09689	0.5
123.08096	0.7
123.11703	1.0
124.11234	15.3
124.12106	1.1
125.06004	3.3
127.03928	4.2
128.06209	0.6
131.08583	1.4
132.08075	0.6
133.10123	1.6
135.11792	0.6
136.11198	1.2
137.05991	0.8
138.12798	0.6
139.07567	0.7
142.12279	24.0
143.08565	1.4
145.04997	1.9
145.06442	0.7
145.10115	1.4
147.08086	1.0
147.11662	1.0
149.09622	0.7
153.05481	16.1
159.08055	0.8
161.09636	1.7
163.06035	0.6
163.11215	1.2
173.09644	0.9
181.12256	0.7
184.07422	1.6
185.09738	0.6
187.07587	0.7
187.11194	1.1
189.09067	1.0
191.10666	1.1
193.12251	1.4
202.15878	1.0
205.12207	0.8
214.15948	0.8
215.10768	0.7
233.11497	0.6
251.12784	1.0
260.16690	0.9
262.18069	1.5
266.25323	0.6
275.12860	0.6
284.20395	0.6
284.25867	1.8
286.18112	0.6
290.17444	2.7
294.16940	4.8
302.26935	1.9
310.18127	0.7
312.19534	1.0
320.27881	3.8
335.25824	0.7
335.56036	0.6
342.20499	1.0
360.21817	2.8
362.23410	0.9
370.19958	0.7
378.22809	1.7
388.21207	21.8
395.16968	0.9
406.22263	100.0
407.22531	3.9
410.19211	0.9
452.90332	0.7
480.18365	0.6
518.19641	0.7
536.20129	2.3
568.27509	5.3
569.23328	0.9
588.85419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35641	0.9
52.00798	0.8
53.03936	2.6
54.21966	0.8
55.01864	2.5
55.05510	2.4
57.03434	1.4
59.69318	0.9
61.02921	1.6
62.70658	0.8
67.05508	8.4
68.99783	1.1
69.03428	7.9
69.07074	3.2
71.04980	1.8
73.02914	1.9
79.05505	7.9
80.55828	1.0
81.03424	5.9
81.07057	8.7
83.08606	4.1
85.02900	23.1
85.06520	1.1
87.00829	10.7
91.05487	5.7
93.07040	16.1
95.08593	6.2
97.02881	6.5
97.06565	0.9
97.10159	1.6
99.04474	2.2
99.08116	1.5
100.07603	1.9
105.01866	9.9
105.07014	3.1
107.08601	8.4
109.02872	6.6
109.10187	4.2
111.08089	2.1
114.09173	1.2
117.07007	1.6
119.08585	5.3
121.10140	19.8
123.08048	2.0
125.09649	1.6
127.03054	1.0
127.03925	13.8
131.08563	4.6
133.10123	7.4
135.08041	1.2
135.11691	8.0
137.09593	8.0
139.07527	0.8
139.76364	0.8
145.04955	3.5
145.10152	1.9
147.11700	4.6
149.09621	1.9
149.13289	1.3
151.11217	5.8
153.09081	3.7
157.10103	0.9
159.02892	2.8
163.03911	7.0
163.11185	1.1
167.10646	1.5
171.11638	1.1
184.07732	0.8
201.77875	0.9
203.17934	2.9
213.04066	0.8
213.16338	5.3
220.09663	3.4
221.18948	1.7
231.04959	2.5
231.17397	8.2
249.18492	100.0
250.18759	1.9
267.19522	66.1
285.20584	30.8
303.21576	3.1
398.01657	0.9
410.19092	2.4
463.06476	0.9
523.99756	0.9
568.24646	0.9
569.29706	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	569.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67031	0.3
52.55677	0.4
53.03938	0.5
61.79291	0.4
67.05508	0.4
69.46599	1.8
74.25040	0.4
74.72358	0.4
79.05488	5.5
90.92269	0.4
91.05478	5.5
93.07049	0.5
93.94930	0.4
95.04967	1.5
103.05468	4.2
105.04521	0.9
105.07031	13.4
107.04962	0.9
108.05775	0.5
109.06524	0.8
115.05473	0.6
119.04980	0.5
119.08599	0.7
120.05730	2.2
121.06507	7.0
123.08078	2.2
130.04134	1.7
132.05783	0.4
133.06502	0.7
135.04414	11.9
135.08043	6.2
137.05968	1.8
137.09590	0.6
139.07530	1.3
145.06485	5.6
147.08043	1.1
149.05994	0.5
149.07170	0.6
149.09578	0.6
149.42497	0.3
150.06758	79.7
151.07547	13.5
153.09142	0.5
158.07300	0.4
161.06010	0.9
163.03839	0.5
163.07516	1.4
165.09114	100.0
166.09462	1.9
167.07048	0.4
167.08427	0.5
171.50960	0.4
175.07550	32.6
176.08179	0.8
177.09146	0.7
183.08006	0.7
189.09134	0.6
193.10149	0.5
195.08040	1.7
197.09627	0.6
206.07431	0.4
209.09590	1.2
210.06844	0.4
210.10416	0.8
211.07535	1.5
212.08276	1.1
213.09122	1.7
224.08296	1.6
225.09187	0.6
226.09923	0.8
227.10463	0.4
237.09030	1.3
238.09784	1.1
239.06911	0.5
239.10689	1.8
240.07788	1.5
241.08493	1.3
241.12367	0.7
243.10158	1.3
251.06845	0.4
253.08595	0.6
253.12215	0.8
254.09326	1.5
254.13031	0.5
255.10150	10.9
256.10953	9.8
265.08612	0.9
266.09042	1.1
267.10208	5.3
267.13168	0.7
268.10880	0.8
269.11731	8.2
270.12198	0.6
271.09662	0.5
281.11688	1.8
282.12479	1.6
283.09644	1.6
283.12900	0.5
285.14816	1.3
298.11929	1.2
299.12866	0.5
313.14346	16.7
314.14850	0.7
315.16055	0.6
343.13208	0.7
357.14822	0.9
358.15616	0.5
371.16122	0.6
372.17245	0.8
373.14340	1.9
385.14322	0.5
386.15115	1.7
399.15710	1.5
400.16608	2.4
403.19113	0.5
405.16916	0.6
417.16861	1.2
423.00720	0.5
431.18231	1.7
457.20166	1.0
537.22632	1.2
551.24365	5.5
569.25659	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	569.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86506	0.7
55.01878	0.9
69.76347	1.7
76.53718	0.7
77.03921	1.0
79.05488	6.4
83.01373	0.8
91.05469	6.5
95.04962	2.2
97.84755	0.7
103.05460	6.1
105.04529	1.0
105.07030	15.0
107.04951	1.8
109.06503	1.2
115.05441	1.3
117.07028	1.0
119.04908	0.7
120.05726	2.0
121.06506	7.4
122.39552	0.7
123.08025	1.2
126.47525	0.6
130.04158	1.8
133.06453	1.1
135.04408	16.6
135.08038	7.1
139.07533	1.3
145.06485	5.7
147.07991	1.2
149.09599	0.9
150.06757	89.2
151.07559	12.2
153.06934	1.0
155.08476	0.8
159.08102	1.3
161.05952	1.6
163.07532	0.8
164.08337	0.7
165.09109	100.0
166.07729	1.2
166.09422	2.9
167.08615	1.8
168.05598	1.1
169.10023	0.7
171.08054	1.2
175.07547	31.8
176.08160	0.8
177.09132	1.3
178.07732	1.2
179.10591	0.9
181.06461	1.4
181.10121	1.0
182.07285	1.5
183.08069	3.8
184.09036	0.7
193.10185	1.6
194.07214	2.2
195.08006	3.4
196.08786	2.9
197.09705	1.7
201.09215	0.7
207.07988	0.8
208.08803	1.0
209.09621	4.6
210.10370	2.0
211.07541	6.8
211.11186	2.4
212.08351	3.2
213.09055	1.1
221.09666	1.3
222.06697	0.8
223.07536	1.2
224.08328	4.5
225.09132	4.4
225.12646	0.8
226.09895	3.8
227.10625	7.6
228.07669	1.2
228.11203	0.7
235.29865	0.8
236.08443	0.9
237.09103	4.1
237.11108	0.8
238.09932	3.6
239.07011	2.6
239.10670	3.0
240.07808	2.1
241.08557	7.9
241.12251	2.8
243.10173	4.3
251.10774	1.5
252.07822	1.3
252.11394	1.0
253.08667	1.8
253.12202	2.1
254.09383	7.7
254.13121	0.9
255.10158	59.7
256.10919	34.4
256.13663	1.5
257.11380	1.8
265.08578	0.9
267.10172	15.5
267.13440	1.3
269.11719	41.0
270.12204	2.5
271.09659	9.0
281.11743	1.8
282.12567	1.1
283.09558	2.8
283.12759	1.0
285.14862	4.3
298.11942	1.7
299.12720	1.4
313.10928	0.9
313.14328	18.0
343.13260	6.2
355.13248	0.7
357.14871	4.7
358.15656	5.2
371.12781	0.8
372.13385	1.4
373.14328	24.3
374.14871	1.0
385.14200	3.2
386.15182	14.3
387.15823	2.8
389.13947	0.8
399.15750	4.8
403.19327	1.4
405.17419	1.5
416.16052	1.3
417.17136	3.1
431.18356	3.7
462.68842	0.8
507.21417	2.5
537.22760	25.0
538.22888	2.5
569.25635	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91891	0.6
69.17149	2.7
69.17548	1.3
79.05499	0.7
89.90527	0.6
91.05487	4.0
95.04946	0.9
97.10210	0.5
103.05450	0.6
105.07040	2.3
109.06472	0.6
121.06512	7.6
123.08054	2.5
130.99400	0.5
135.04424	2.2
135.08058	2.3
137.05945	0.8
139.07545	1.3
141.06981	1.3
145.06493	1.9
150.06764	6.4
151.07544	17.5
152.06227	0.6
153.06967	2.6
155.08580	1.2
158.07068	0.5
163.03882	2.0
163.07556	0.7
165.07007	8.0
165.09088	4.8
166.07765	8.7
167.08537	1.4
168.09317	1.5
169.06418	0.7
175.07526	3.0
178.07735	2.0
179.08565	2.3
180.09396	0.9
181.06491	2.5
181.10109	4.3
183.07945	0.5
183.11627	0.8
190.07838	0.8
191.08566	1.6
193.10080	1.2
194.07268	5.0
195.08029	3.9
196.08855	3.3
197.09645	1.2
206.07271	0.6
207.07997	1.2
208.08833	2.6
209.09621	11.1
210.10555	0.6
211.07639	0.6
211.11147	1.9
219.07985	0.8
220.09630	1.9
221.09827	0.9
222.06760	1.1
223.07581	2.1
223.11198	1.1
224.08348	4.3
225.09099	2.0
226.09840	1.0
227.10464	0.6
235.07544	1.0
236.08351	0.6
237.09138	4.6
238.09886	1.7
239.10699	5.9
240.11372	0.9
241.12338	1.3
251.06839	0.7
252.07881	2.1
253.08745	1.2
253.12241	2.3
254.09262	1.3
255.10144	1.1
265.08585	1.3
267.10165	100.0
268.10764	7.4
269.11743	12.4
270.12466	3.0
271.13159	1.5
281.08261	1.3
281.11316	1.1
301.14337	8.8
302.15015	2.1
313.14374	1.7
316.41983	0.6
569.25378	6.7
570.25653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
56.35448	0.3
61.54137	0.4
65.03951	0.7
67.05524	0.6
69.77212	1.2
77.03929	0.7
78.04710	0.5
79.05493	5.7
91.05482	7.2
93.07040	0.8
95.04957	2.1
102.04701	0.3
103.05472	4.7
105.04517	1.3
105.07030	12.1
107.04960	1.4
108.05725	0.6
109.06495	1.2
111.13643	0.3
115.05471	2.3
117.07040	2.4
119.04963	0.7
119.06077	0.5
119.08595	0.6
120.05715	2.6
121.06515	9.8
123.08075	2.3
125.05988	0.8
130.04161	2.4
132.05699	1.5
133.06499	0.8
134.07256	0.4
135.04414	12.6
135.08052	7.6
136.08499	0.4
137.05980	1.7
137.09598	0.5
139.07561	1.9
145.06487	8.4
147.08038	1.5
149.06021	0.8
149.07086	0.8
149.09666	2.0
149.10710	0.4
150.06764	75.3
151.07562	15.9
159.04419	0.5
159.08095	0.4
160.05176	2.5
161.05931	0.7
163.03880	1.0
163.07571	3.2
165.09119	100.0
166.08083	0.4
166.09387	2.0
173.07193	0.5
175.07550	45.6
176.07939	1.2
177.09122	0.9
178.07802	0.6
179.08507	0.7
181.06490	0.4
182.07205	0.4
183.08040	0.9
189.09094	1.3
195.08098	2.0
196.08804	0.7
197.09608	0.5
198.10858	0.4
201.09222	0.4
206.97861	0.4
207.08098	0.8
209.09621	1.9
210.10376	0.8
211.07555	1.4
211.11067	0.5
212.08215	1.3
213.09081	0.7
213.12529	0.4
221.09471	0.4
223.07523	0.6
223.11183	0.6
224.08330	3.2
225.09061	1.2
226.09846	1.4
227.10657	0.8
229.12201	0.7
235.07658	0.4
237.09035	1.3
238.09830	1.6
239.06932	0.6
239.10684	2.8
240.07802	0.6
240.11497	0.5
241.08571	0.9
241.12108	0.5
243.10161	1.3
251.07143	0.5
251.10660	1.3
252.07883	1.0
252.11353	0.7
253.08621	0.9
253.12184	1.0
254.09328	2.8
254.13034	2.7
255.07645	0.8
255.10181	11.3
255.12854	0.7
256.10846	2.3
261.14771	0.6
264.90417	0.4
265.12103	0.5
267.10181	9.3
267.13284	0.7
268.10898	0.9
269.11746	8.9
270.12332	1.1
281.11804	2.7
282.12646	1.9
283.09808	2.2
283.12793	0.6
285.14896	0.5
289.14258	0.6
298.11948	1.1
299.12903	1.8
313.14359	29.8
314.14807	1.0
315.15891	0.7
327.13574	0.5
329.11728	0.9
330.12616	0.7
341.11545	0.5
343.13339	2.8
355.13303	0.8
356.13779	0.7
357.14658	1.4
358.11768	1.0
369.14923	0.6
371.12689	0.9
372.13342	1.5
373.14404	3.8
384.13245	0.6
385.14194	2.7
386.15192	8.2
387.15778	1.6
399.15884	2.5
400.16635	2.2
401.13550	0.9
402.14548	0.9
403.19205	0.5
405.16901	0.5
415.15393	0.9
416.16061	1.2
417.11292	0.5
417.16931	8.8
418.17523	0.9
431.18396	3.3
444.25513	0.4
509.23102	0.5
517.00964	0.5
537.22668	3.7
538.22900	1.1
551.24365	5.8
552.24438	0.5
569.25269	8.7
569.39008	0.6
570.26135	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	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04200	0.2
55.05510	0.2
64.63110	0.2
67.05503	0.4
69.03428	0.3
69.51265	0.3
69.51653	0.5
79.05505	0.2
81.03388	0.2
85.02913	0.4
91.05499	0.2
93.07038	0.3
97.02900	0.2
105.07050	0.2
107.08622	0.2
127.03928	0.3
159.02888	0.3
163.03917	0.2
185.04282	0.2
193.10434	0.2
196.96892	0.2
201.03653	0.2
203.05240	1.1
234.98347	0.2
259.07919	1.6
295.15234	0.4
304.11801	0.4
331.10059	0.5
333.20316	0.2
391.13306	0.2
407.23956	1.6
457.20541	2.0
471.22055	2.5
479.26297	0.5
487.21494	0.7
551.19092	0.3
551.27863	0.4
569.29279	100.0
570.20868	0.4
570.29633	3.5
596.68402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2945
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
52.60704	0.6
69.49646	1.8
69.50062	1.2
72.08165	1.8
77.98169	0.6
89.54965	0.6
92.52758	0.7
100.07642	2.9
135.04411	1.3
145.02895	2.0
150.17673	0.7
151.54510	0.6
157.13420	2.1
163.03897	21.5
220.09688	15.4
220.11751	1.0
234.11351	2.4
250.33768	0.7
259.07932	1.6
276.89569	0.7
333.18228	1.9
407.24002	1.7
481.23816	0.8
483.22055	9.0
569.29388	100.0
570.29761	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	569.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81159	0.4
52.91177	0.4
58.06573	1.6
58.92207	0.5
69.53687	1.5
70.06568	1.5
72.04490	0.6
72.07794	0.5
72.08152	7.1
79.05469	0.5
82.55198	0.5
84.08147	2.1
89.03914	3.1
100.07613	11.9
107.04895	1.1
112.11232	2.7
114.09126	1.2
115.12296	0.5
117.03374	3.7
123.41353	0.4
129.13879	0.6
135.04407	8.4
143.11801	0.7
143.66136	0.4
145.02856	9.1
157.13347	8.3
162.05515	0.5
163.03896	100.0
164.04233	1.0
171.14903	1.7
174.16057	0.7
219.11371	0.5
220.09680	59.4
221.09984	1.2
228.20705	0.6
234.11246	10.7
234.13501	0.8
245.23372	0.9
281.12415	0.4
291.17145	1.3
319.16492	7.0
333.18045	10.4
334.18094	0.5
360.64072	0.4
389.25677	0.7
390.23682	0.7
407.26422	4.0
468.41821	0.4
509.27594	0.4
551.28516	0.4
569.29669	83.2
570.29980	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3091
Annotation	5-Oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
55.50347	0.2
57.07048	0.2
69.55302	0.7
70.06577	0.2
72.08144	0.4
100.07613	0.6
102.54995	0.2
117.03323	0.2
128.88156	0.2
135.04384	0.2
145.02864	0.5
163.03897	4.3
163.05130	0.4
220.09674	2.9
234.11238	0.3
246.42850	0.2
268.17676	0.2
282.98944	0.2
319.16446	0.4
333.18219	0.3
336.08990	0.3
358.58411	0.2
407.26575	0.2
569.30780	100.0
570.31140	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	569.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24039	0.5
69.46595	1.6
71.08662	0.6
72.08151	1.0
84.85098	0.6
86.09700	0.6
89.06032	0.7
90.76995	0.5
95.08083	0.5
100.07613	0.5
104.10736	1.6
109.10191	0.5
110.13210	0.5
126.89426	0.5
135.80441	0.5
145.02928	0.9
149.05928	0.8
150.89627	0.5
151.03841	0.5
157.13373	1.1
163.03896	9.2
195.09676	0.5
211.48351	0.5
220.09720	5.1
227.20012	0.5
234.11313	0.8
254.73018	0.7
261.88495	0.5
319.16513	0.9
333.18167	0.8
357.54837	0.7
377.74747	0.5
453.16867	2.8
509.19629	3.8
537.19318	1.0
569.30750	100.0
570.30872	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	569.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39217	0.2
57.07073	0.3
89.06001	0.5
100.07637	0.3
117.03458	0.3
121.63911	0.2
133.08643	0.3
145.02841	0.4
160.88805	0.2
163.03894	1.6
177.05510	0.8
177.98772	0.2
178.05704	0.2
185.20198	0.2
195.35583	0.2
220.09708	1.2
285.19559	0.2
387.86722	0.2
495.35806	0.3
511.21973	0.4
568.57019	0.2
569.40204	100.0
570.40570	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	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
53.48590	1.0
55.01879	2.0
57.03429	1.2
63.97815	1.1
69.03442	7.5
70.06590	5.8
71.04984	1.2
71.45634	1.4
73.02927	1.2
79.05504	1.6
80.05030	1.5
81.03410	1.5
81.07072	2.0
82.34583	1.1
84.08149	2.8
85.02907	6.1
91.05482	11.3
93.07053	3.0
94.04192	1.9
94.11093	1.1
95.04970	4.7
96.08144	1.3
97.02911	3.2
99.04447	1.2
102.04707	2.5
103.05451	6.2
103.68849	1.1
105.03391	1.5
105.07025	6.5
107.04946	1.9
109.06540	3.5
110.09728	1.1
115.05465	2.9
117.06997	1.0
119.04946	16.4
121.06513	4.0
122.03658	3.3
122.09660	1.2
123.04442	3.1
123.08134	1.2
124.05215	1.2
126.42801	1.0
130.04152	4.3
131.04936	6.1
133.02802	1.1
133.06534	7.2
134.09665	3.3
135.04503	1.9
136.11238	4.5
137.05978	77.1
139.07628	1.3
143.04977	1.7
145.02855	3.9
145.06483	2.0
147.04413	23.3
147.08029	1.3
148.11261	1.7
149.05986	7.7
150.06757	7.3
150.09160	1.6
151.07536	4.1
152.10736	2.0
153.05470	2.0
158.03609	1.9
161.05981	19.7
162.06766	28.6
162.08034	1.9
162.12750	1.3
163.07544	2.7
164.14407	2.8
168.10207	1.3
173.06053	6.0
175.04001	2.0
175.07550	2.0
176.14377	2.2
177.05499	5.5
179.07037	7.9
182.11781	5.6
185.57886	1.0
186.03145	1.6
191.07054	2.6
192.44461	1.0
193.04982	5.3
195.06508	2.0
201.05466	24.8
203.07059	1.6
204.04213	4.4
205.06590	1.0
207.06483	5.4
219.06479	22.2
219.08357	1.9
222.06734	1.7
222.15013	2.2
231.06592	4.0
232.13544	1.3
233.05968	1.6
234.06769	1.0
234.14920	4.6
237.09229	2.1
249.07654	3.9
250.06256	1.7
260.16586	2.3
262.06226	1.7
262.18036	2.5
265.08615	5.0
274.18201	1.4
277.08694	1.9
279.06424	1.3
292.07294	1.6
293.08163	3.2
297.11206	1.6
307.09686	4.9
309.11237	2.1
316.19189	2.3
323.09113	14.7
325.10715	15.7
337.10547	7.0
343.11780	16.4
346.20270	4.1
355.11731	19.2
362.23474	1.6
364.21240	11.6
372.21844	1.7
390.22720	14.0
406.22232	1.6
407.22461	2.9
408.23724	30.0
414.01758	1.1
450.24921	2.8
469.48898	1.1
510.27139	1.7
526.26001	1.7
552.27991	7.4
570.29077	100.0
571.29114	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.59415	1.2
69.37980	5.1
72.83260	1.5
77.80889	1.3
85.02911	4.4
91.05482	14.1
93.07005	2.0
95.04978	3.7
97.02882	1.7
102.04716	3.0
103.05486	6.8
105.03409	2.5
105.07037	8.7
106.36288	1.1
107.04974	1.2
109.06516	2.1
115.05466	2.3
119.04953	22.1
121.06518	3.5
122.03649	4.3
123.04411	3.3
124.05232	2.0
127.03925	1.4
130.04144	4.3
131.04958	6.9
133.02919	1.5
133.06479	9.1
135.04391	2.3
137.05981	100.0
145.02853	3.6
145.06505	4.8
146.06090	1.5
147.04407	24.7
149.05991	7.9
150.06747	7.7
151.07530	6.5
153.05582	2.5
154.76358	1.2
156.35347	1.3
161.05972	30.5
162.06761	37.3
163.07573	4.3
163.33589	1.4
173.05980	8.8
175.03923	1.7
177.05481	8.4
179.07048	11.2
186.03105	1.5
191.07030	2.4
193.04932	7.5
195.06558	2.9
201.05464	31.7
203.07010	2.1
204.04202	6.0
205.06548	3.6
207.06581	5.1
219.06520	30.2
222.06804	2.5
231.06505	5.4
233.06136	2.3
234.06725	1.7
237.09169	2.8
237.11623	1.2
249.07649	5.8
250.06081	2.1
262.06274	1.7
265.08627	6.9
271.94882	1.5
277.08682	3.1
283.09598	2.0
293.08038	4.0
297.11288	2.7
305.07941	2.7
307.09601	6.8
309.11191	4.5
322.08478	1.6
323.09100	19.3
325.10715	22.5
334.95486	1.4
337.10800	9.3
343.11707	22.3
355.11752	21.6
570.29150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
69.03444	2.1
69.47275	4.5
79.05491	1.1
81.03410	2.3
81.07053	1.1
85.02930	5.6
85.03349	0.8
86.95259	0.8
91.05478	10.2
93.03361	0.9
93.07042	1.5
95.04976	2.5
97.02867	1.6
102.04708	1.3
103.05472	4.6
105.07047	4.7
109.10149	0.9
115.03932	1.5
115.05463	2.7
117.03395	1.8
117.07043	1.5
119.04949	10.5
120.84308	1.0
121.06517	1.8
122.03678	1.7
127.03926	2.2
130.04153	2.4
131.04924	7.4
133.02852	4.1
133.06499	4.4
133.10127	1.4
134.03609	1.1
135.11761	1.4
137.05989	31.0
143.04980	1.9
145.02890	2.7
145.05013	2.6
145.06479	4.9
147.04408	12.6
149.05998	3.6
150.06770	4.1
151.03908	1.1
151.07547	1.8
158.03662	4.2
160.05205	1.7
161.05974	8.4
162.06769	9.1
163.07607	4.3
171.01192	1.2
173.06006	14.5
175.03917	5.7
175.07605	1.3
175.14862	0.9
177.05489	5.9
179.06993	4.6
186.03157	3.9
189.05481	1.5
193.04945	2.0
193.15944	1.9
201.05469	100.0
202.05762	1.4
205.06506	4.0
211.13335	1.0
211.16962	1.2
213.05484	1.8
217.06540	1.1
219.06523	30.1
222.06783	2.8
222.34816	1.0
231.06483	6.6
233.05994	5.4
234.06769	3.9
237.09186	4.3
245.06119	0.9
247.07547	1.0
249.09172	1.7
250.06227	4.5
251.06966	1.9
262.06277	1.6
263.07065	1.2
264.07880	2.1
265.08554	10.9
277.08740	2.5
278.05652	2.4
279.10342	1.3
290.05768	2.4
292.07257	4.3
293.08044	7.3
294.08722	1.2
295.05853	1.0
297.11243	4.3
305.08060	3.0
307.09589	9.7
309.11087	1.2
323.09174	8.3
325.10718	49.7
326.11026	1.7
337.10623	9.1
343.11789	15.3
355.11758	32.5
356.12231	1.6
373.12799	1.5
498.71130	0.9
563.19702	1.0
570.29095	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	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03951	0.2
55.01869	0.4
56.26625	0.1
57.03436	0.7
57.60007	0.1
61.02925	1.2
61.49955	0.1
67.05524	0.2
68.99814	0.2
69.03431	2.0
70.52927	0.2
71.04982	0.2
73.02924	0.3
77.03951	0.4
79.05492	3.1
81.03431	0.9
83.01340	0.3
85.02905	12.0
87.04469	0.2
90.12051	0.1
91.03961	0.6
91.05459	0.9
95.04983	0.8
95.08605	0.8
97.02893	3.2
99.04453	0.6
103.03930	0.3
103.05462	2.1
105.07030	77.3
106.07382	1.3
107.04921	0.2
109.02881	0.9
109.06523	0.2
115.03873	0.1
121.06493	0.2
123.04420	0.2
123.08065	1.3
125.05982	0.2
127.03918	2.9
133.06483	0.9
137.05971	5.7
138.06815	0.2
145.04955	6.3
151.07541	26.1
151.82484	0.1
152.07884	0.3
163.06007	2.5
175.07509	0.2
180.08623	0.3
223.11081	0.3
229.12233	100.0
230.12550	2.8
230.92152	0.1
253.12207	1.1
265.12183	0.7
269.11725	0.2
271.13278	0.4
277.12201	0.2
295.13312	1.7
305.12808	0.1
319.13110	0.2
337.14374	0.4
343.13525	0.1
355.15372	2.4
391.17459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01880	0.9
57.03431	1.3
61.02932	1.9
66.81887	0.3
69.03436	4.6
70.06581	1.1
71.04991	1.0
71.46197	0.4
73.02907	1.1
76.14516	0.3
79.05486	3.5
81.03429	2.6
81.07054	0.4
85.02902	22.6
86.09705	0.5
87.04499	0.4
91.03967	0.9
91.05467	2.1
95.05013	0.9
95.08589	1.0
97.02886	7.0
99.04456	1.3
103.03928	0.6
103.05453	2.7
104.65368	0.4
105.07026	100.0
106.07355	1.3
107.04959	0.4
109.02872	1.9
109.06565	0.5
115.03904	0.5
123.08080	1.0
127.03914	6.0
133.06512	0.6
137.05963	3.6
145.04959	11.6
151.07545	14.5
152.07898	0.4
160.84335	0.4
161.05960	0.5
163.06056	3.6
173.09592	0.4
227.10619	0.5
229.12231	81.2
230.12572	2.7
241.12317	1.8
253.12190	2.9
255.10040	0.7
265.12195	1.0
269.11679	1.2
270.12518	6.0
271.13312	2.3
277.12180	0.6
287.12756	0.7
295.13266	3.7
305.20844	0.4
319.13205	0.4
337.14301	0.9
355.15491	2.2
356.15817	0.4
391.11841	1.1
391.17093	0.8
570.27966	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	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06253	0.4
50.47810	0.5
53.03946	1.2
55.01866	1.1
57.03442	2.6
61.02927	3.4
63.18734	0.5
65.11935	0.5
66.90176	0.4
69.03426	9.0
70.30984	0.4
71.04994	1.6
73.02913	1.1
77.91356	0.5
79.05489	3.5
81.03421	3.5
83.01334	0.7
84.04507	0.6
85.02901	49.6
86.03195	0.4
87.04465	1.1
90.19347	0.5
91.03954	1.8
91.05507	1.4
95.04951	1.6
95.08591	1.2
95.80155	0.4
97.02894	13.2
99.04456	1.8
103.03949	0.6
103.05473	2.3
105.07024	87.0
106.07365	1.6
109.02869	4.1
115.03938	0.6
115.24184	0.4
117.03348	0.6
117.23710	0.4
121.06517	1.1
123.08070	1.6
127.03908	12.8
131.32040	0.5
133.06485	2.1
135.04437	1.5
136.99402	0.4
137.05960	7.2
145.02960	1.1
145.04951	21.8
151.07532	29.0
152.07939	0.6
161.05984	1.3
163.03925	8.7
163.05994	7.5
163.07338	0.8
167.07007	1.1
175.07523	0.8
177.05495	0.6
183.08066	0.6
190.26431	0.5
192.00525	0.4
193.08632	0.5
217.08536	0.5
229.12225	100.0
230.12520	2.9
245.02573	0.5
253.12238	3.0
265.12238	1.2
269.11734	1.0
271.13257	1.0
279.92328	0.5
287.12766	1.2
295.13303	4.8
337.14261	1.1
355.15442	4.0
373.15216	0.7
378.19025	1.3
394.81580	0.5
408.23889	0.6
409.20032	0.5
549.70099	0.5
570.26807	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	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34692	1.3
55.21703	1.3
55.42111	1.5
57.03433	8.4
59.04977	1.7
67.85571	1.3
69.03431	20.7
70.06586	1.5
72.08147	3.3
72.52087	1.5
73.02920	1.8
79.05501	3.9
85.02903	18.0
87.04457	15.2
91.05475	7.6
93.07043	8.2
95.04987	2.3
96.14314	1.3
97.02895	17.0
100.07635	4.0
100.11228	2.0
103.05470	5.1
105.07026	10.0
107.04948	25.5
107.08654	1.7
115.03946	16.3
119.04964	2.9
121.06499	78.4
125.09978	1.3
131.04831	1.4
132.90575	1.4
133.04965	15.3
133.06522	2.6
134.35837	1.3
135.04408	3.1
135.08061	4.4
145.02800	1.5
145.04967	1.8
145.06485	1.4
149.05943	1.7
150.06749	3.8
151.07556	6.0
152.08356	2.3
153.09097	2.2
157.13307	1.9
160.51718	1.3
163.03874	19.6
163.07582	1.5
164.04234	7.1
165.09114	52.7
166.09418	1.4
175.07562	2.9
177.09021	1.4
179.10706	1.8
201.08766	1.5
220.09691	11.8
221.09976	6.9
234.11458	2.1
253.12482	1.5
259.13287	100.0
271.13281	89.0
272.13626	2.6
276.90591	1.6
283.13275	1.7
301.14319	35.8
301.17731	2.5
309.63870	1.5
320.16885	2.4
325.14340	4.5
333.18033	2.4
334.18271	2.0
337.14130	8.3
343.15402	2.1
355.15390	9.6
367.15381	3.6
373.16544	4.1
385.16522	1.8
391.17416	1.8
433.94415	1.5
530.72333	1.8
570.22327	1.8
570.30115	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	570.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.4
55.22126	0.4
69.32079	0.8
69.32475	1.6
70.79419	0.3
78.66854	0.4
79.05478	0.6
81.40157	0.3
83.01313	0.5
91.05469	2.3
95.04939	0.5
105.07031	0.7
109.06501	0.8
115.56281	0.4
121.06490	4.6
122.06821	0.6
123.08037	1.1
134.39729	0.4
135.04359	0.6
135.08028	0.9
137.05965	1.5
139.06462	0.6
139.07547	9.5
150.06760	3.4
151.07562	7.8
153.05490	1.0
153.06908	0.3
155.08505	0.6
165.05463	1.0
165.09145	4.2
166.09435	1.6
167.07048	12.4
167.08463	0.7
169.06355	0.4
169.10040	0.4
175.07495	1.2
175.93814	0.4
178.07753	0.6
179.08514	1.3
193.10158	4.2
194.10909	0.5
196.08818	1.4
197.09483	0.5
199.07574	0.9
207.08014	1.6
208.08745	0.5
209.09671	0.7
210.10408	0.7
211.11194	2.5
221.09502	2.0
222.10370	2.2
223.11169	1.3
224.08281	3.5
225.09105	0.5
225.12744	1.9
226.09912	0.4
227.10669	0.6
235.07611	0.4
237.09241	0.6
237.12747	0.9
238.09784	1.7
239.10675	28.8
240.11089	0.6
241.08607	0.5
241.12378	0.4
251.10561	0.7
252.11584	0.6
253.12254	6.6
254.13022	100.0
255.10158	2.7
255.13356	3.9
256.10785	2.3
257.11212	1.0
265.12305	5.3
267.10159	3.9
267.13690	1.4
268.10492	4.2
269.11740	3.1
270.12436	0.6
280.46597	0.5
281.11655	0.5
314.14694	0.7
326.12988	0.5
343.13345	1.1
344.13770	0.6
355.13300	0.5
355.17172	0.9
357.14816	0.5
358.15591	1.0
369.14807	0.5
370.15604	0.5
371.12833	1.4
372.13684	0.5
373.14090	0.4
373.18112	0.9
374.14630	1.3
384.86304	0.4
385.14249	0.5
386.15051	2.9
387.15710	2.5
388.16495	0.6
401.17532	1.8
403.19437	0.8
404.16156	1.2
419.18521	4.0
512.89319	0.4
532.35431	0.4
538.23126	2.3
551.44519	0.5
570.26117	73.3
571.26550	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	570.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
53.71994	0.5
55.01882	0.6
55.05497	0.5
57.07069	1.9
65.03925	0.7
66.00240	0.5
67.05474	0.9
69.33130	3.0
70.06594	4.0
71.08614	0.7
79.05499	1.0
82.27495	0.5
83.01367	0.6
85.06572	0.6
88.07629	5.2
89.06059	0.6
91.05470	5.1
93.06332	0.5
93.07037	0.8
95.04961	1.6
102.09176	2.7
103.05454	1.8
105.03400	4.4
105.04530	0.9
105.07043	3.7
106.07410	0.9
106.95282	0.5
109.06507	0.9
119.89603	0.5
121.06503	12.0
121.07330	1.1
123.08055	3.7
125.49875	0.5
135.04404	3.2
135.08006	2.8
136.04782	0.9
136.08374	0.6
137.05992	0.5
139.07521	2.0
145.06387	0.7
149.02359	3.2
149.03444	0.7
149.05981	16.3
149.07021	0.8
150.06763	17.5
151.07561	15.9
151.34494	0.5
152.07904	1.3
153.09117	1.2
159.74438	0.5
161.06058	1.0
162.96440	0.5
163.13814	0.5
165.09105	17.6
166.09462	4.1
169.06470	0.6
175.07584	1.1
178.07745	0.6
179.08569	1.6
181.06319	0.7
189.09200	0.5
193.04964	3.0
194.07462	0.5
195.08049	0.7
196.08734	0.9
197.09550	1.1
201.09116	1.4
207.08086	1.3
208.08611	0.7
209.09541	1.1
210.06752	0.7
211.11176	0.7
223.07504	1.1
223.11176	1.3
224.08322	2.8
225.09126	3.4
226.09833	1.0
237.05562	1.1
238.05711	0.7
239.10663	6.0
240.11264	3.2
241.08488	0.7
241.12033	1.1
251.10716	1.1
252.07805	1.8
253.08421	2.4
254.09294	1.4
256.26358	10.4
265.08267	0.9
267.10159	30.3
268.10544	22.4
269.08578	0.8
269.11713	10.8
270.12442	1.1
281.11813	0.9
297.07721	3.2
311.10605	0.8
313.15833	0.6
315.13800	1.6
324.75128	0.5
325.12134	1.4
326.12848	1.5
327.13995	1.3
328.10886	1.6
329.11761	0.9
341.10190	13.7
341.15198	2.4
342.12384	0.5
342.16144	1.0
343.13290	8.1
344.13742	0.7
351.13995	0.6
353.11566	0.8
354.12341	1.2
355.13190	1.6
355.17038	0.6
356.10281	1.7
357.14911	1.0
358.15601	7.0
359.16205	0.8
361.14325	1.7
368.13922	1.2
369.14990	4.0
370.15579	1.9
371.12756	12.1
371.17136	1.0
372.13651	1.2
373.14111	0.8
373.18005	10.3
374.11420	2.0
383.16431	2.1
384.17160	2.2
385.14081	0.8
386.15149	11.6
387.15723	1.4
388.16705	0.8
389.13669	4.4
399.15826	0.7
401.17477	23.2
402.17865	1.1
404.16156	15.8
405.16739	1.6
415.18909	0.7
418.17505	0.8
419.18542	2.4
420.38443	0.6
432.18774	0.8
460.41476	0.7
538.22870	0.8
542.26404	4.4
570.25861	100.0
570.34198	23.7
571.26611	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	570.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
55.05518	0.3
56.05017	0.3
57.03436	1.6
57.07066	0.8
58.06593	0.5
61.39200	0.2
67.05504	0.3
68.05032	5.7
69.03432	1.1
70.06590	0.3
71.04985	0.5
71.08633	3.5
79.05482	0.4
81.07056	1.6
82.06574	0.3
83.01356	0.6
83.04970	0.4
85.02903	1.1
85.06528	1.7
86.06068	3.1
87.04484	0.2
91.05482	0.5
92.48865	0.2
93.07030	0.4
95.08641	0.5
96.97449	0.2
97.02908	0.4
98.09704	0.7
99.08097	2.5
101.06010	0.7
105.04639	0.2
105.07006	0.3
107.08537	0.3
109.06516	0.7
111.08064	1.2
114.12810	5.1
115.03918	0.5
119.08558	0.4
121.06499	0.6
122.09641	0.4
123.04466	0.3
123.08089	0.3
123.11703	0.5
124.11232	28.3
125.09623	0.4
125.11573	0.2
125.36460	0.2
127.03909	0.6
135.04439	0.3
135.08067	0.3
137.06001	0.6
142.12273	100.0
143.12614	0.6
145.04947	0.4
149.06020	0.2
157.55060	0.2
164.07100	0.4
165.05386	0.4
167.07054	0.5
171.08037	0.4
173.09651	0.3
179.07010	0.5
181.08595	1.7
182.08208	0.3
183.06491	2.0
189.09132	0.5
201.05508	0.4
207.06499	0.4
231.10165	0.7
249.11211	3.0
267.12277	15.5
268.12537	0.3
282.44357	0.3
304.17520	2.5
319.22870	0.3
355.25061	0.3
390.22763	0.3
408.23520	0.8
408.28897	0.5
420.67874	0.2
473.90616	0.3
479.61627	0.3
570.28027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
57.03426	1.3
57.07071	1.3
57.93295	0.3
58.06596	0.5
66.83128	0.2
68.05029	6.6
69.03426	1.0
71.04975	0.5
71.08627	4.5
72.69921	0.3
74.96860	0.3
81.03424	0.3
81.07066	1.8
83.01347	0.6
83.05004	0.4
85.02894	0.6
85.06544	1.9
86.06061	3.7
91.05498	0.6
93.07022	0.6
98.09698	0.9
99.08102	2.6
101.06004	0.9
109.02839	0.3
109.06518	0.8
111.08083	1.3
114.12808	5.3
119.04971	0.3
121.06506	0.3
122.09700	0.4
123.08080	0.4
124.11233	29.4
125.11584	0.4
133.02731	0.3
137.05917	0.5
142.12271	100.0
143.12622	0.5
145.02873	0.4
165.05447	0.3
167.07001	0.4
171.08080	0.4
177.05511	0.7
179.07021	0.8
181.08607	1.7
183.06493	2.2
201.05431	0.4
217.08803	0.4
219.10170	0.8
231.10199	0.4
245.82742	0.3
249.11226	3.2
267.12271	15.2
268.12680	0.3
290.17636	0.4
304.17514	2.4
324.27078	0.3
355.11856	0.4
390.22583	0.3
446.21732	0.3
501.13760	0.3
570.27374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05510	4.2
55.88224	1.1
59.04988	1.0
61.02911	1.3
63.74723	1.0
67.05500	6.5
69.03445	5.1
69.07063	3.1
69.30103	1.1
70.04537	1.2
70.04858	2.1
71.04988	1.7
79.05480	2.5
81.03437	2.9
81.07058	6.4
83.04987	3.7
83.08618	5.4
85.02900	10.0
85.06535	1.9
91.05478	2.9
93.07049	6.0
95.04971	39.6
95.08612	14.7
97.02902	2.9
97.06542	2.0
99.04435	1.4
99.08096	24.2
101.06033	2.1
105.07049	3.8
107.08583	13.1
109.06513	1.3
109.10161	27.8
109.43952	0.9
111.08098	2.4
113.09659	2.3
115.03946	1.5
117.07013	1.1
119.08580	8.5
121.10157	2.9
123.11725	3.5
127.03945	3.0
127.11205	4.4
131.04921	1.1
133.04932	1.0
133.10115	11.1
135.11690	19.9
137.05980	4.0
137.09616	24.6
141.09055	1.2
145.04948	3.2
147.04430	1.8
149.13286	2.5
152.10628	1.6
153.12741	8.6
155.10683	16.4
162.06688	1.3
163.05931	1.2
171.13774	6.1
173.06050	1.2
175.04015	1.3
175.14833	11.2
177.05437	1.5
193.15872	27.9
201.05443	8.4
211.16931	100.0
212.17274	2.4
219.06517	2.8
229.17998	30.8
253.17896	1.1
256.41467	1.1
277.08786	1.0
293.08240	1.2
325.10736	4.8
337.19931	1.5
355.11810	3.8
373.22137	4.1
390.22562	1.9
408.23627	3.9
570.29663	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	570.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66547	1.0
55.05516	2.3
57.06818	1.5
57.07076	22.5
67.05490	4.7
69.07059	4.2
71.08270	1.4
71.08630	16.3
79.05492	3.5
81.03384	1.1
81.07054	2.2
83.08619	2.0
85.10179	12.5
87.04456	2.8
89.06030	27.8
91.05476	2.1
93.07036	1.8
95.04958	2.3
95.08604	2.0
98.98459	2.8
99.11718	1.5
102.94198	1.0
105.07019	1.4
107.08556	1.6
109.10146	1.4
109.53398	1.0
113.13247	1.2
114.00809	1.0
117.07018	1.9
117.09164	1.4
118.06568	3.1
119.07336	2.3
119.08597	1.4
125.00024	11.9
125.13245	1.4
127.14805	2.0
133.08598	20.3
134.09657	30.7
144.08080	9.6
145.08876	5.0
149.05988	1.2
160.11217	100.0
161.11565	1.7
177.11191	8.9
177.99023	1.1
178.12274	89.6
179.12534	1.6
221.13803	2.2
229.75876	1.2
240.87439	1.0
258.08911	66.5
283.17612	1.9
315.29092	1.4
327.19977	1.7
359.41699	1.2
371.22803	3.7
373.50397	1.1
384.17932	1.0
416.36639	1.1
538.35516	1.1
552.34839	8.1
553.43103	7.9
565.90326	1.3
570.35455	39.3
571.35602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.4
57.07077	57.4
67.05483	2.8
69.07067	10.2
71.08631	46.8
71.46497	2.6
73.06552	4.3
79.05488	2.1
83.08602	3.5
84.09332	2.1
85.10178	30.1
87.04471	4.4
89.06032	100.0
91.05487	6.0
93.07040	2.0
97.10156	4.8
99.11723	8.4
105.07033	7.4
109.10100	2.7
111.11692	3.3
113.13280	6.5
117.09130	8.0
121.06517	10.1
121.76268	2.2
122.06827	2.5
127.14819	5.1
131.07095	2.3
133.08609	65.5
135.08057	18.2
136.08415	2.9
150.06770	7.1
151.07497	7.0
155.01073	2.2
165.09117	12.9
177.11214	28.7
218.12051	1.9
221.13806	6.6
239.14862	2.3
241.12186	2.4
254.12991	2.4
268.10410	2.5
271.26212	6.4
283.17581	4.0
285.14890	3.1
286.15295	4.1
315.29022	4.2
327.19949	4.5
371.22757	17.2
373.84705	2.2
386.15836	2.9
510.20187	3.2
553.43201	24.7
565.91089	2.7
570.25842	4.2
570.34003	3.6
571.24384	3.0
571.32922	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27918	0.7
53.03928	1.2
55.09594	0.7
63.27337	0.7
65.03925	2.1
67.05505	1.0
77.03937	0.9
78.04701	1.6
79.05484	2.6
81.03444	0.8
91.05477	24.7
93.07036	1.9
94.66530	0.7
95.00423	0.7
95.04956	4.8
103.05482	1.0
105.04485	2.6
105.07028	4.3
106.04151	1.9
108.05740	2.3
109.06509	1.1
119.04942	1.3
121.02907	1.1
121.06504	49.7
123.08057	15.9
135.04413	3.2
135.08003	1.6
136.05171	0.8
137.05968	2.9
139.07533	12.4
145.06544	1.5
147.08086	0.8
149.07088	3.2
150.06749	18.4
150.07968	1.0
151.07538	100.0
152.07933	1.3
159.08089	0.8
161.06058	1.4
165.05507	1.2
165.09100	19.2
171.08014	1.7
175.07590	1.3
177.09119	1.0
179.08455	0.8
195.08093	1.5
196.08830	0.7
201.09125	3.1
209.09662	2.4
211.07526	1.4
213.09166	1.7
222.10352	0.8
224.08278	3.6
225.09125	1.7
226.09912	1.4
227.10724	1.6
229.08629	2.7
235.05821	0.8
237.09210	3.9
238.09935	1.2
239.10677	5.5
240.07820	0.9
241.12260	2.1
241.88770	0.8
251.10645	1.0
253.08591	2.8
254.09387	3.2
255.10149	2.4
256.11072	1.3
259.09637	1.2
261.08859	0.8
265.08594	11.6
267.10159	4.1
268.07367	1.2
268.11047	1.9
269.07971	0.8
269.08966	0.8
269.11783	6.2
270.12442	1.7
271.13434	1.3
279.10077	0.8
281.11771	1.4
283.09592	1.5
301.10699	2.1
315.13684	1.1
317.11771	1.1
318.12900	0.9
327.10019	1.1
328.10953	1.6
329.11591	0.9
331.09769	1.3
341.11758	1.0
343.13330	2.9
345.11270	1.4
346.12112	1.5
356.10312	1.2
359.12918	2.0
360.13489	1.7
361.14450	1.8
371.12811	2.1
373.10614	1.6
374.11292	5.4
375.12152	2.5
376.13297	1.1
387.13571	1.2
388.13156	1.7
389.13785	38.0
390.14084	1.7
401.13876	2.0
402.14716	1.3
405.13351	2.7
433.16541	0.8
483.21432	1.5
493.20071	1.2
507.17993	0.9
511.21350	3.9
521.19574	3.3
522.20605	1.6
539.20642	8.7
540.21381	25.3
541.21973	2.6
543.23755	2.8
553.22333	5.4
556.20721	1.2
571.23254	49.8
572.23505	3.4
587.67761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2697
Annotation	artoindonesianin A
Peak:m/z	Relative Intensity
58.83974	0.4
65.03936	1.4
67.05497	0.8
69.07030	0.3
69.53371	1.1
69.53718	0.7
70.06573	0.4
77.03919	0.5
79.05490	3.0
87.90726	0.4
91.05482	18.5
93.07050	5.8
94.66415	0.5
95.04965	1.8
95.32253	0.4
103.05459	1.7
105.06348	0.6
105.07040	8.3
106.04162	1.0
107.04966	1.2
107.08591	2.0
109.06522	4.2
115.05585	0.5
119.06077	3.4
120.05723	0.6
121.06509	47.3
122.07281	1.2
123.08059	1.3
129.06975	0.5
135.04410	0.8
135.08060	21.4
137.04384	0.5
137.05971	0.6
137.09633	7.4
139.07545	0.8
141.07013	0.4
145.06479	1.0
147.08049	0.9
149.05975	0.6
150.06770	3.9
151.07541	7.6
152.08272	1.1
153.06984	0.7
153.09120	0.8
154.07796	1.0
154.94148	0.5
155.08540	0.8
157.06474	0.5
158.07254	1.0
159.08113	0.6
161.06004	0.5
163.07475	1.0
164.08337	1.0
165.09116	100.0
166.09445	2.0
167.07016	1.3
167.08476	0.5
169.10089	1.1
171.08067	0.5
172.95346	0.4
173.09714	0.7
175.07552	0.5
177.09122	0.5
178.07803	0.7
178.09901	0.5
179.08556	1.9
179.10608	0.8
179.25357	0.4
181.06496	0.6
181.08580	1.1
181.10074	0.7
182.07275	1.6
183.08028	1.4
186.06715	1.0
193.10155	1.4
195.08101	2.2
196.08794	0.7
197.09677	2.8
199.07671	0.4
200.08232	0.4
204.09152	0.4
207.07983	0.7
208.08838	0.7
209.09622	1.2
210.06750	1.1
210.10379	1.9
211.07515	1.4
211.11201	0.9
214.09866	0.5
215.10658	1.5
220.08710	0.4
221.09622	1.0
222.10379	0.8
223.07527	1.1
223.11142	1.3
224.08304	1.2
224.11852	0.5
225.09122	6.7
225.12479	1.9
226.09856	0.5
227.07042	0.9
227.10684	0.6
228.07832	3.0
235.07645	0.4
237.09164	1.1
238.09813	4.7
239.10683	2.9
240.11406	1.0
241.08583	1.2
241.12105	0.6
242.09337	1.2
243.10158	17.4
244.10609	0.6
250.10191	0.4
251.10689	1.5
252.07693	0.5
253.08598	34.1
253.12230	8.6
254.09351	2.2
254.12976	1.0
255.06372	0.7
255.10208	1.4
255.13670	1.2
257.11688	2.1
267.10205	3.3
268.10928	1.3
269.08487	0.6
269.11731	4.7
270.08881	3.3
270.12491	2.2
271.09570	1.2
271.13058	0.5
280.19290	0.4
281.15225	0.9
283.13260	8.2
284.13962	0.5
285.11218	24.3
285.14828	14.0
286.15628	46.3
287.13217	0.5
287.16205	2.1
301.14252	1.9
341.09799	0.6
375.15781	0.4
387.19522	1.0
419.14899	1.2
431.18155	0.9
473.19659	1.7
521.22998	0.5
525.21844	0.4
539.24268	5.8
540.24915	0.6
553.23517	1.2
565.91663	0.5
571.25433	3.0
571.34790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
52.33138	0.3
53.03939	0.5
54.45065	0.3
55.05527	0.4
56.75720	0.3
60.08165	0.3
65.03950	0.4
67.05463	0.3
71.44596	0.3
75.14906	0.3
77.03931	0.6
79.05043	0.5
79.05496	9.1
81.07070	0.3
86.09711	0.3
91.05484	3.6
93.07048	1.2
95.04969	2.5
103.05473	6.4
104.10732	2.1
105.04525	1.1
105.07031	33.0
105.11077	0.8
106.07383	0.3
107.04972	0.7
107.08583	0.4
109.06564	0.6
119.06042	0.4
120.05731	3.2
121.06522	5.6
135.08057	100.0
136.08394	1.6
146.98198	0.5
149.09612	0.6
150.06758	2.1
151.07552	0.8
157.07716	0.4
165.09111	2.6
177.05396	0.3
191.07088	1.2
205.08597	0.4
216.10191	0.6
217.10616	0.3
239.10719	0.4
254.13098	0.9
255.13377	0.7
259.09583	0.4
269.11716	1.2
270.12018	0.3
283.13174	0.8
285.11307	0.5
288.12527	0.4
297.14871	0.3
311.12689	0.5
312.13495	0.5
313.14297	0.9
342.10263	0.4
386.51953	0.3
455.17642	0.4
463.24789	1.9
511.20410	0.5
512.28217	1.1
565.90540	0.3
571.25787	1.9
571.34583	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	571.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
59.08465	0.6
67.16785	0.6
69.17269	2.8
79.05540	0.8
81.07111	0.9
89.62097	0.7
91.05470	0.7
93.07026	0.6
97.06551	1.8
107.08614	1.2
117.88528	0.6
151.74571	0.6
181.28009	0.7
203.05206	1.1
248.35887	0.6
259.07916	0.9
287.05576	0.8
409.25751	1.6
411.96524	0.7
457.20465	2.9
462.99173	0.6
471.22034	1.3
571.30865	100.0
572.31128	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	571.3248
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
55.05509	1.1
57.07077	7.6
64.37055	0.7
69.27163	0.7
71.08632	6.5
72.09007	0.9
73.06551	1.6
78.16791	0.8
79.05489	1.0
81.07038	0.8
82.75445	0.8
83.08617	0.8
85.10190	4.0
89.06036	11.6
89.06550	1.3
90.06378	1.1
91.05507	2.8
93.07082	1.0
99.11720	1.0
105.07051	2.8
109.06546	1.2
117.09063	1.0
121.06522	5.6
125.29271	0.8
133.08617	8.8
134.08881	1.1
135.08049	6.3
135.20401	0.8
137.77371	0.8
151.07608	3.0
165.09160	0.9
177.11255	3.1
181.12296	0.9
183.23737	0.8
190.72472	0.7
192.25487	0.7
198.95709	0.7
213.59100	1.0
253.12411	0.9
255.13910	1.9
269.11755	1.4
270.12555	1.2
276.91003	1.1
283.13293	1.7
284.14023	0.9
318.91995	1.2
372.23163	1.5
488.73654	0.8
553.43011	1.5
554.43396	2.2
565.91241	2.3
571.32452	100.0
572.32562	6.5
588.21753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
58.45586	0.4
58.94042	0.5
59.21035	0.4
65.03938	0.9
69.03418	1.0
69.07055	0.5
70.40260	0.4
70.99570	0.4
71.40302	0.4
79.05489	1.0
81.03434	0.8
81.07056	1.5
85.02900	2.7
90.90785	0.5
91.05479	7.1
93.07020	0.6
95.05002	0.5
97.02890	2.1
103.05475	0.6
105.07045	2.9
109.02883	1.2
115.05440	1.1
117.07002	2.2
119.04949	5.8
119.08576	1.3
121.06514	4.5
127.03899	3.2
129.07025	1.1
131.08592	0.5
133.06490	19.0
134.06827	0.5
135.07990	0.6
137.05962	4.7
137.09618	1.0
142.07758	2.8
145.04962	2.5
147.08075	0.8
151.07411	0.5
151.64069	0.5
155.03439	0.6
157.10129	16.0
160.08842	0.8
161.05957	0.7
165.09164	0.5
167.07027	1.0
175.11185	100.0
176.11528	3.0
180.10643	0.5
187.07645	0.4
207.06482	1.0
225.12694	0.7
241.12212	0.6
253.12062	0.9
271.13321	1.5
289.14374	0.6
345.08292	2.8
363.09207	1.1
398.12979	1.3
572.29321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
56.90135	0.3
62.47712	0.3
64.43575	0.3
65.03930	1.1
69.03419	0.6
76.64773	0.3
79.05482	1.3
81.07066	1.4
85.02903	1.7
91.05476	8.3
93.07022	0.9
95.04971	0.4
97.02892	0.7
103.05455	0.5
105.07027	3.0
107.04955	0.4
107.08508	0.3
109.02872	0.9
109.06489	0.6
115.05485	0.8
117.07005	2.9
119.04943	6.4
119.05887	0.4
119.08610	1.4
121.06502	10.9
127.03929	1.9
129.07002	1.0
131.08595	0.4
133.06487	21.8
133.10080	0.6
134.06790	0.7
135.08020	0.3
137.02345	0.6
137.05981	3.1
142.07788	3.0
145.04945	0.8
145.06500	0.4
146.07187	0.4
147.08066	0.8
147.11665	1.1
152.10742	0.3
152.54814	0.3
155.03381	0.5
157.10126	15.6
158.10539	0.4
160.08818	0.8
163.07358	0.3
165.01869	1.0
175.11179	100.0
176.11482	2.8
196.76361	0.3
211.11180	0.8
219.04965	3.8
225.12715	0.3
229.12241	0.9
238.09808	0.3
239.08971	0.8
243.13831	0.9
253.12210	1.0
271.13254	3.7
289.14420	0.7
345.08157	1.1
363.09225	1.3
398.12930	0.8
572.24011	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	572.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
56.05051	0.4
56.96537	0.4
57.03435	1.1
61.02932	1.5
67.05513	0.7
69.03434	4.5
69.16190	1.3
69.16599	1.4
70.06589	2.4
71.04994	0.7
72.08172	0.7
73.02934	0.9
79.05497	0.9
80.05027	1.0
81.03416	1.5
81.07038	0.8
82.06567	0.5
84.08149	1.9
85.02903	4.7
86.09715	0.7
87.04464	1.0
89.03912	0.6
91.05479	1.0
93.07055	1.1
94.06558	1.0
95.08615	1.1
96.08138	0.8
97.02906	2.3
97.08898	0.5
98.23438	0.7
99.04453	0.8
104.95726	0.4
105.07063	0.8
107.08608	0.5
109.02901	0.6
109.10166	0.4
110.09696	1.2
111.08083	0.6
115.03927	0.4
117.03397	1.9
120.08104	0.8
122.09681	1.8
124.11263	1.0
125.05997	0.5
127.03933	0.8
129.10239	1.2
131.08617	0.4
133.10114	0.5
134.09654	1.8
136.11218	21.2
137.06010	1.3
138.06299	0.4
138.12775	0.8
145.02864	4.0
148.11232	0.8
149.05971	0.7
150.09161	1.3
150.12793	1.1
152.10844	0.6
160.11209	0.6
162.06754	0.4
162.12813	2.8
164.14360	1.1
168.10258	1.4
169.10060	0.5
172.11134	0.4
174.12848	0.4
175.11156	0.5
176.14404	1.8
177.05473	4.9
178.05797	0.6
178.15953	1.2
182.11806	1.2
188.14372	0.8
190.15971	0.9
194.15555	0.7
196.17062	1.7
204.17500	0.7
206.15384	0.5
222.15067	0.6
222.18498	0.8
234.14958	1.9
236.16467	2.9
238.17905	0.6
248.16594	1.1
260.16281	0.6
262.18039	1.2
264.19812	1.0
273.73788	0.4
274.18048	1.0
276.19650	1.0
280.19254	0.8
292.19125	1.4
294.20721	1.3
310.19913	0.6
318.20566	3.0
346.20154	1.0
358.22519	0.5
364.21252	0.9
366.22720	0.7
374.23187	2.6
390.22406	0.5
392.24319	25.2
393.24573	1.2
408.23779	0.8
410.25372	24.0
411.25769	0.9
434.25546	0.7
529.94623	0.6
554.29712	4.0
572.30634	100.0
573.31085	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	572.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57986	0.4
51.58226	0.5
53.03959	0.6
55.01872	1.1
57.03431	1.2
57.88664	0.5
61.02929	1.8
63.52862	0.4
69.03427	6.3
69.37998	2.4
70.06600	0.5
70.32537	0.5
71.04996	1.1
73.02926	1.3
79.05500	1.0
80.05056	0.6
80.81102	0.6
81.03422	1.6
85.02902	8.3
87.04468	1.5
91.03990	0.7
92.23627	0.5
95.08611	0.8
97.02902	3.6
99.04471	1.6
103.05478	0.9
105.07027	18.1
106.07373	7.0
107.07722	1.0
107.08549	0.5
109.02902	1.1
120.08116	0.9
122.09672	1.7
127.03938	1.6
128.04179	0.5
134.09669	2.0
136.11226	18.6
137.05963	1.3
145.04999	1.7
148.11244	1.6
150.12817	0.6
151.07539	4.8
152.07886	2.8
160.11197	0.7
162.12758	3.9
163.13594	0.9
164.14273	0.7
174.12744	0.9
176.14380	5.0
188.14342	3.4
190.15959	1.0
202.15929	1.0
220.13451	0.8
229.12231	13.2
230.12589	11.6
231.12837	7.8
232.13400	0.9
234.14885	3.2
235.15649	0.9
236.16542	1.3
246.14986	1.2
248.16565	1.8
258.18622	0.7
260.16434	0.6
262.18030	22.7
274.18063	3.7
275.18506	0.7
276.19543	5.9
281.77924	0.5
292.19009	1.4
294.20807	2.0
318.20648	0.8
334.20169	3.1
348.21695	5.4
366.22958	1.9
374.23254	21.4
375.23746	0.7
376.24863	3.0
392.24310	34.5
393.24664	1.7
410.25403	5.7
554.29639	10.4
555.29816	0.8
572.30652	100.0
573.18201	0.6
573.31158	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	572.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
53.47508	0.8
55.01868	6.1
55.05507	15.1
57.03441	3.7
57.07079	2.3
57.87360	1.0
58.30947	0.9
59.04999	3.1
61.02918	2.8
65.03933	1.7
67.05504	58.9
68.99813	1.3
69.03424	20.1
69.07067	16.3
70.06607	2.6
71.04991	17.8
71.08642	1.0
73.02920	3.1
73.06562	1.1
79.05489	23.7
80.05759	1.0
81.03413	12.7
81.07056	58.3
83.04990	4.0
83.08615	11.8
85.02905	41.9
85.06535	9.0
87.00825	8.4
87.04478	3.8
91.05478	10.4
93.07045	25.6
93.07599	1.8
95.04983	3.0
95.08605	73.7
97.02891	13.7
97.06530	11.8
97.10162	10.0
99.04457	7.2
99.08104	3.0
105.01877	5.2
105.07039	7.9
107.08588	18.2
107.09255	1.4
109.02885	15.1
109.06529	1.6
109.10153	40.7
111.04439	2.1
111.08089	3.9
111.11728	2.4
113.09672	1.2
115.03938	16.5
119.08566	8.6
121.10143	28.9
122.10416	1.0
123.08112	2.1
123.11710	8.4
125.09643	5.6
127.03914	27.7
127.11160	0.9
128.04285	1.1
131.08569	1.1
133.04990	7.2
133.10139	11.9
135.04376	1.3
135.11687	25.2
137.09627	2.3
137.13266	2.6
139.11162	6.4
143.10658	2.0
145.04939	14.8
145.10075	1.3
147.04459	0.9
147.11690	6.4
149.13271	5.3
151.11246	1.6
151.14830	1.4
153.12740	1.2
155.10631	1.2
157.12274	1.4
159.02940	2.1
159.08080	1.2
159.10194	3.1
160.09735	1.0
161.13237	5.0
163.03922	1.9
163.06056	2.2
171.08038	1.4
173.11752	4.7
175.14827	3.4
177.16483	1.3
183.17450	1.6
187.06059	1.3
187.07552	1.7
187.13376	1.3
189.09143	3.3
189.16388	1.0
191.03365	1.7
213.03941	7.0
215.07071	1.5
217.19527	11.8
225.22104	3.5
231.05013	2.7
235.20572	27.5
241.07094	1.2
241.21593	1.2
253.21619	100.0
254.22070	3.7
259.08188	3.2
266.36102	1.0
271.04288	1.5
271.22668	27.3
277.09210	5.7
279.08588	4.6
289.23706	14.6
307.24786	35.0
324.02405	1.8
325.03229	2.7
337.23679	1.1
339.21436	1.9
357.22803	1.1
379.24664	1.2
397.26105	1.6
447.23578	1.0
465.24786	2.5
475.29120	7.3
483.25897	11.3
501.26984	10.7
519.27789	1.5
529.09058	2.2
572.25873	3.9
573.08478	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	572.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.3
57.03437	0.5
57.07061	0.6
65.03925	0.7
67.05508	2.8
67.24624	0.3
69.03423	0.3
69.07043	1.3
69.69467	1.2
71.08603	0.3
79.05473	1.1
81.07033	1.3
83.04948	1.0
83.08591	0.4
91.04948	0.4
91.05484	6.2
93.07049	2.7
95.04950	0.7
95.08588	1.0
101.60770	0.3
105.07052	1.5
107.02875	0.4
107.04932	0.7
109.06501	1.3
109.10121	0.5
119.04920	0.4
119.06036	0.9
121.06518	7.3
124.07561	0.7
135.08069	2.6
140.07077	2.5
151.07524	0.9
152.07080	0.5
162.09143	0.8
164.07092	0.4
165.09036	0.6
168.06561	2.3
186.09148	4.7
191.05862	0.4
192.06569	15.7
199.09914	1.3
200.07077	0.6
201.07817	2.4
210.09068	0.9
216.10211	52.4
217.10472	1.5
238.08672	0.9
242.11771	24.2
243.12125	0.6
253.12146	0.3
255.09962	0.3
269.11682	0.6
270.11267	19.7
271.11633	0.6
282.14954	0.4
288.12317	19.6
289.12683	0.6
298.10815	1.0
301.14328	0.3
302.14896	0.4
372.14511	1.2
383.24164	0.7
554.35046	1.8
572.35834	100.0
573.36218	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	572.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	25.4
59.04980	2.4
59.64529	2.0
65.41531	2.0
71.08632	25.5
71.46156	2.2
73.06561	9.0
82.23155	2.2
85.10184	26.0
85.40527	2.1
87.04482	6.5
89.06033	100.0
99.11723	3.9
107.07181	2.2
109.10155	2.3
111.04077	2.0
117.09132	6.0
121.79276	2.0
130.08694	2.1
131.07051	2.1
133.08612	48.7
133.09564	3.8
141.16373	4.1
177.11223	20.7
185.19070	5.8
206.21216	2.1
221.13828	5.7
229.21611	7.3
239.14983	2.7
273.24307	6.9
415.25534	3.4
545.97363	2.1
547.54633	2.7
555.40894	9.5
572.34955	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	572.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
54.80269	1.9
55.05509	7.6
57.03443	13.4
57.07080	31.7
57.69048	1.7
59.77604	1.9
66.48321	2.0
67.05502	16.6
67.25236	1.7
69.03450	2.6
69.07062	8.9
69.80589	2.0
71.08639	26.3
71.25455	2.0
79.05505	10.8
81.03420	76.8
81.07053	21.8
82.07364	2.3
83.04991	4.1
83.08627	26.3
85.10183	12.2
91.05490	14.5
93.07046	8.3
95.04977	22.4
95.08596	18.6
97.06538	2.7
97.10187	9.6
105.07029	10.2
107.04977	5.5
107.08623	4.4
109.10159	7.7
111.08088	5.4
119.08598	8.9
121.10146	4.3
123.11684	2.3
129.07004	7.0
131.08566	6.0
133.06512	2.7
133.10107	5.7
137.09662	2.8
137.13287	2.1
147.11696	7.5
149.09718	3.0
157.10115	10.2
175.11171	7.4
193.12212	25.9
221.15266	1.9
267.15930	100.0
268.16223	2.7
313.27383	81.6
314.27634	2.6
505.38885	64.9
506.39240	4.5
527.11670	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1948
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
51.02375	0.4
55.05507	0.8
63.48370	0.4
67.05511	1.5
69.03429	1.6
69.07083	1.0
70.06595	0.6
70.53684	0.8
71.04993	0.9
79.05502	1.2
81.03425	1.3
81.07069	2.0
83.08636	0.7
85.02905	1.6
91.05493	0.5
93.07046	1.6
95.04992	0.6
95.08617	1.3
97.02917	0.5
97.06512	0.5
105.07064	0.9
107.08602	1.2
109.10173	1.1
111.08099	0.5
119.08596	0.7
121.06518	1.4
121.10166	0.8
123.11742	0.4
127.03906	1.1
131.08607	0.6
133.10164	0.7
135.08121	0.8
145.02568	0.8
151.11380	0.5
152.46938	0.5
158.10672	0.4
173.05939	0.5
175.14838	0.7
191.14258	0.4
266.69131	0.4
289.25217	0.6
296.10275	1.3
297.11118	0.8
299.07471	4.0
307.26141	0.5
311.66672	0.6
388.21326	0.7
389.21512	0.6
459.15878	2.2
459.70963	0.5
565.41003	0.6
572.31122	1.0
573.19397	100.0
574.19568	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05376	0.4
57.75547	0.5
59.45368	0.5
59.82869	0.5
62.55627	0.4
63.57964	0.4
70.62357	1.1
79.65546	0.6
91.05470	1.1
100.51972	0.5
109.57409	0.5
115.05474	1.4
117.05727	1.3
117.07012	1.0
118.06533	20.6
127.00726	0.6
130.06494	2.3
132.08070	5.6
134.57898	0.5
142.06512	2.2
143.07280	2.3
144.08083	12.3
145.02888	0.8
146.06003	62.3
147.06339	1.1
153.83296	0.5
159.09222	5.1
160.07594	1.5
170.06001	4.4
177.05434	3.0
177.42426	0.5
188.07062	100.0
189.07426	1.7
205.09718	39.8
239.97081	0.5
249.31453	0.5
308.18915	0.6
485.70883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06063	0.6
55.01831	0.5
58.54925	0.5
65.03943	0.8
67.05473	0.6
69.89658	1.2
69.90020	0.9
77.03925	0.6
78.04702	0.9
79.05464	1.3
85.83396	0.5
91.05476	11.1
93.07019	1.5
95.04958	2.6
95.08598	0.7
98.23467	1.1
103.05438	0.7
105.04484	1.2
105.07022	2.5
106.04179	0.9
107.04974	0.5
108.05716	2.3
109.06570	0.6
111.04463	0.6
119.04943	1.7
121.06503	30.1
123.08067	11.5
135.04390	1.2
135.08051	1.2
137.05951	3.4
138.06787	1.2
139.03902	1.2
139.07539	10.3
139.87608	0.6
141.06981	1.0
147.04245	0.6
149.07077	2.3
150.06750	9.4
151.07533	100.0
152.07918	2.0
153.07047	1.0
154.07738	0.6
155.08621	0.8
157.06502	1.1
158.07269	0.8
165.07021	0.6
165.09100	9.9
167.08578	0.8
169.10222	1.2
175.07657	0.6
177.05627	0.6
178.07800	0.8
179.08546	1.7
181.06519	0.7
182.07297	1.8
183.08052	2.5
185.05997	0.7
195.08118	1.2
196.08858	1.3
197.09610	5.7
199.07536	0.7
200.08224	0.8
207.07996	1.4
209.09663	1.7
210.06725	1.6
211.07465	1.5
211.11099	0.6
212.08362	1.2
213.09142	1.3
214.09967	0.6
215.10631	1.6
223.07602	1.2
224.08333	1.9
225.09100	9.9
226.09746	1.0
227.06993	1.4
227.10625	2.6
228.07803	4.2
228.11424	2.8
231.06601	0.6
237.09085	0.7
238.09784	0.6
239.06982	1.1
239.10545	3.5
240.11377	0.8
241.08484	3.8
242.09387	3.4
243.10156	21.3
243.12692	1.0
253.08583	39.7
254.09119	2.2
255.06604	1.6
255.10104	6.0
256.10931	14.9
257.11707	6.9
267.10141	11.8
269.11749	1.5
270.08823	6.1
270.11667	0.9
271.09592	1.8
272.10403	0.9
279.10352	0.6
285.11194	31.8
286.11798	1.1
287.12823	4.8
288.13535	48.3
289.14017	2.0
301.14313	0.9
302.15317	0.7
303.12274	1.5
369.14066	0.5
403.15204	1.0
457.22076	0.6
537.22363	0.7
541.22272	7.5
542.21844	0.7
555.23083	1.2
573.24689	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	573.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03941	0.6
55.01877	0.3
65.03935	1.0
67.05499	0.3
70.16142	0.6
70.17884	0.3
76.88320	0.2
77.03922	0.5
78.04701	1.1
79.05478	0.7
86.23208	0.2
91.05479	11.3
93.07044	1.3
95.04962	2.5
103.14770	0.2
105.04500	1.0
105.07029	0.9
106.04190	1.0
107.04944	0.4
108.05727	2.1
109.06505	0.9
111.04446	0.5
115.05406	0.3
119.04920	1.1
121.06501	36.2
122.06794	0.4
123.04456	0.5
123.08064	12.6
125.05988	0.5
129.06915	0.4
133.06516	0.3
135.04433	1.0
135.08072	0.9
137.05971	5.5
138.06746	2.1
139.03911	1.3
139.07536	10.6
141.07025	1.2
145.06496	0.3
147.04387	0.4
149.05984	0.6
149.07089	2.7
150.06752	3.9
151.07535	100.0
152.07877	1.6
153.05447	1.0
153.06953	0.9
154.07770	1.2
155.08537	1.1
157.06488	1.7
158.07231	1.3
161.05959	1.0
165.05678	0.4
165.07011	1.0
165.09143	2.4
166.07700	0.4
167.07028	0.5
167.08585	0.7
169.06477	0.3
169.10149	1.3
171.08031	1.0
172.08830	0.5
177.05463	0.7
178.07808	1.3
179.08559	2.9
181.06577	1.2
182.07213	2.2
183.08052	1.3
185.05942	1.0
185.09561	0.4
186.06735	1.0
193.10162	0.3
194.07315	0.3
195.08040	1.1
196.08855	1.0
197.06012	0.3
197.09613	4.9
199.07489	0.7
200.08310	0.4
207.08002	1.2
208.08723	0.3
209.05923	0.4
209.09570	0.7
210.06766	2.6
210.10294	0.4
211.07558	1.5
211.11121	0.9
212.08308	0.6
213.05501	0.3
213.09135	1.5
214.09865	0.7
215.10652	1.8
223.07529	1.2
224.08368	2.0
225.09106	13.7
226.09729	0.8
227.06993	1.6
227.10597	1.4
228.07816	3.4
228.11307	1.2
235.07483	0.5
237.05446	0.4
237.09090	1.0
238.06255	1.2
238.09836	1.0
239.06938	0.5
239.10658	3.2
240.07843	0.4
240.11380	0.9
241.08559	5.5
242.09343	3.6
243.10149	17.0
244.10564	0.6
251.06938	0.3
251.10695	0.6
252.07770	0.7
252.11513	0.7
253.08588	46.5
254.09091	2.4
255.06604	1.9
255.10139	3.7
256.07993	0.3
256.10934	18.7
257.11697	8.3
267.10156	19.1
268.10626	0.4
269.08093	0.4
269.11453	0.4
270.08850	7.1
270.11923	0.4
271.09671	2.8
272.10208	0.5
285.11203	31.2
286.11554	1.2
287.12732	4.2
288.13538	48.2
289.13989	2.2
303.12366	1.7
370.11642	0.3
385.14288	0.4
403.15356	1.2
419.23334	0.3
478.85953	0.3
523.20087	0.4
541.14258	0.3
541.22235	6.0
555.23492	1.2
573.24854	2.9
584.59961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25216	0.5
70.53706	1.0
71.04981	0.6
72.77156	0.5
73.33928	0.6
78.04705	0.7
79.05518	0.8
85.02892	1.4
87.40800	0.5
88.85095	0.6
91.05466	4.1
93.07020	1.0
95.04980	0.7
100.46976	0.6
102.55122	0.5
103.05492	1.4
104.64084	0.6
105.04460	0.9
105.07022	1.8
107.04940	0.8
109.06537	0.7
121.06509	9.1
123.08050	1.9
135.04457	1.3
135.08072	1.6
137.05975	1.2
139.07527	1.6
141.07071	0.7
149.07185	0.8
150.06744	6.3
151.07539	14.2
151.11244	0.7
152.06194	0.7
153.06949	0.7
161.05986	0.8
165.06999	1.3
165.09142	6.3
166.07779	1.3
167.07242	0.8
167.08569	4.0
169.06558	1.1
169.10100	0.8
175.07539	0.9
178.07713	1.1
179.08456	0.8
181.06538	1.3
183.08023	1.1
184.08807	1.1
187.07518	1.6
194.07248	2.1
195.08089	5.5
196.08827	3.4
197.05980	1.9
197.09613	1.0
199.11073	1.2
209.09627	2.6
210.10257	0.7
211.07545	1.7
212.08324	9.1
213.09172	1.7
219.43263	0.6
223.07576	0.8
224.08284	1.9
225.09015	2.7
226.09982	0.7
227.10672	12.0
238.09927	1.6
239.10684	1.7
240.07777	1.9
240.11429	1.9
241.08513	1.8
241.12218	0.6
242.09206	0.6
253.08583	1.4
253.12253	13.3
254.09502	0.9
255.10153	100.0
256.10764	4.2
257.07953	0.8
257.11823	1.1
267.10214	0.9
269.08173	0.7
269.11716	2.7
284.10312	0.8
285.11264	2.1
299.12762	4.4
300.13397	1.1
315.12198	1.2
345.11121	0.9
359.12857	0.8
375.05569	0.6
389.17477	6.9
403.11047	0.6
403.15469	5.0
417.16992	1.6
499.56851	0.6
522.19373	0.6
527.21637	0.7
555.22980	2.4
573.22723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03110	1.2
55.01868	2.8
65.03939	1.6
67.05500	1.7
69.03413	1.6
79.05507	3.2
80.98170	1.2
83.01368	3.6
85.02917	1.2
91.05479	24.3
91.06049	1.4
93.07055	6.0
94.14124	1.3
95.04967	7.9
95.08611	1.3
103.05466	2.5
105.03384	1.9
105.04528	2.6
105.07031	9.0
106.04262	2.0
107.04973	2.3
107.62443	1.3
108.05788	1.4
109.06542	4.5
111.04459	1.6
113.53654	1.3
119.06084	2.9
121.06500	52.6
123.08057	8.9
129.28601	1.5
135.04424	6.2
135.08058	13.7
137.05939	7.2
139.07495	6.3
141.07005	1.9
146.59877	1.2
147.08037	1.6
149.06003	8.4
149.07094	2.5
150.06750	22.5
151.07544	59.4
153.05498	1.4
153.06859	1.5
158.07262	1.7
159.08145	1.5
161.05992	1.7
165.06981	4.2
165.09102	15.3
167.07111	4.1
167.08485	2.1
169.06480	2.6
171.08156	1.6
173.09583	1.6
178.07814	1.9
181.10095	3.6
183.08080	2.3
187.07655	2.1
189.09102	1.8
191.08667	1.5
193.08504	1.5
193.10146	3.5
194.07367	1.9
195.08086	8.0
196.08856	1.5
197.09563	1.9
201.09178	4.0
203.10733	2.2
207.08244	1.3
209.09604	10.4
210.10414	3.6
211.07684	2.2
212.08334	2.6
213.09087	1.6
215.10710	2.1
221.05873	2.0
222.04822	1.5
222.06796	2.7
223.07568	2.8
223.11282	1.8
224.08430	2.3
224.12038	2.6
225.09209	5.1
227.10757	2.2
231.10231	2.2
235.07552	2.5
236.08426	1.7
237.09119	13.7
238.09891	22.2
239.06935	2.2
239.10768	5.5
241.12401	1.5
251.10844	3.0
252.11453	9.1
253.08562	8.6
253.12206	2.2
254.09335	2.6
254.12996	21.2
254.15419	1.7
255.10162	11.8
256.10809	2.2
262.09988	2.2
263.10666	1.5
265.12299	1.6
267.10220	2.1
269.11661	6.7
270.12592	2.9
271.13348	1.7
273.11343	2.0
278.09546	1.6
279.10129	1.5
285.11221	3.4
287.12784	3.5
291.10217	2.4
292.11017	1.9
293.11765	1.6
301.12256	1.9
305.11694	3.0
319.09766	2.7
329.11755	1.9
347.13000	1.6
401.17468	1.8
403.15616	3.0
471.21936	1.9
495.21835	2.1
499.21204	26.3
500.21155	1.5
513.22839	5.8
527.24323	2.3
531.23926	5.7
537.22797	2.8
540.25006	17.3
541.22192	100.0
542.22559	4.7
549.63007	1.3
555.23779	37.9
556.24103	2.3
573.24902	46.9
574.25641	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	573.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
57.03456	0.5
67.05498	1.9
69.03424	1.3
69.07078	0.6
71.05016	0.6
71.46214	0.6
72.06271	0.4
79.05508	0.8
81.03431	1.5
81.07072	2.0
85.02923	1.3
87.00840	0.6
89.11591	0.4
91.05470	0.7
93.07045	0.8
95.04947	0.4
95.08578	0.6
97.02894	1.3
97.06516	0.4
97.10156	0.6
99.04500	0.6
102.12704	0.4
105.07056	0.7
107.08583	0.5
109.02885	0.6
109.10149	4.2
111.04427	0.4
119.08572	0.5
121.02894	1.9
121.06605	0.4
126.09194	0.4
127.03941	1.3
127.11212	1.3
131.08699	0.4
140.38882	0.4
145.05055	0.5
159.02881	0.4
161.05966	0.5
237.14659	1.4
265.14130	0.7
311.14612	0.7
325.19833	1.5
353.15695	1.2
365.13882	0.5
399.19824	6.4
400.20129	0.5
441.20947	8.5
485.20001	1.0
487.25467	3.8
529.26257	15.7
530.26349	0.7
555.32727	0.6
563.67804	0.5
573.25146	100.0
574.25586	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3038
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.20437	0.5
51.49359	0.5
55.05507	3.1
57.03437	4.7
57.07078	23.9
62.40954	0.4
67.05503	5.7
69.03431	0.7
69.07068	3.3
69.70876	1.2
69.71269	1.1
71.08633	17.7
72.01804	0.5
79.05489	2.0
81.03427	4.0
81.07059	6.8
83.08628	5.5
85.09684	1.0
85.10179	9.5
89.06023	0.6
91.05473	3.8
93.07037	1.7
95.08603	10.3
97.10151	1.8
98.98471	26.3
99.11749	0.8
105.07030	2.8
109.02882	2.6
109.06524	0.9
109.10162	4.2
111.11725	0.6
111.60773	0.4
119.04964	0.5
119.06082	0.8
121.06512	8.6
121.10130	0.5
123.08060	1.2
123.11736	2.0
124.16467	0.5
127.03836	0.9
131.13469	0.5
135.08061	9.8
137.13277	0.7
139.07568	0.9
150.06767	1.2
151.07549	4.7
152.08257	0.8
155.01044	23.1
165.09102	1.8
165.16331	0.7
173.02122	1.5
173.31836	0.5
227.10709	0.9
239.23758	4.1
245.11830	1.3
261.03848	1.2
264.52426	0.5
269.11771	1.5
270.12387	0.8
283.13144	0.6
285.11441	0.7
285.35712	0.5
299.05347	0.5
309.11298	0.5
313.27362	100.0
314.27829	2.9
317.06345	2.9
335.07285	2.5
359.04245	0.5
383.28339	0.7
393.24091	4.1
401.28925	2.8
411.06940	0.5
485.23199	1.9
513.22766	0.6
531.23669	2.2
537.28729	2.7
555.26477	0.6
573.25507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.3
57.03444	5.4
57.07079	24.6
67.05510	15.6
68.05843	1.2
69.03451	1.3
69.07065	6.5
71.08633	15.9
71.45011	0.8
76.03309	0.7
79.05486	4.3
79.92931	0.7
81.03416	4.7
81.07058	13.6
83.04971	1.2
83.08624	6.4
85.10194	8.1
91.05486	3.0
93.07069	4.6
95.04918	0.9
95.08603	12.8
97.10168	3.3
98.98471	24.7
99.04442	0.9
105.07037	4.0
107.08602	2.4
109.02884	2.7
109.06546	0.9
109.10166	13.2
110.10468	2.0
119.08604	2.9
119.12189	0.8
121.10172	2.8
123.11725	2.3
131.08530	1.4
133.10136	2.0
135.11696	2.0
137.13258	0.9
147.11649	2.2
149.09645	1.0
155.01047	23.6
157.10127	0.8
159.11746	2.3
161.13275	1.3
163.11124	0.8
169.10185	1.0
173.02119	1.0
173.11723	2.1
173.13168	1.0
183.11794	1.3
239.23714	3.2
261.03629	1.4
313.27365	100.0
314.27762	3.1
317.06247	2.6
335.07343	1.7
372.19440	0.9
383.24307	5.3
384.24582	8.4
393.23904	3.7
401.28952	2.3
537.27991	3.4
555.45581	1.3
573.47797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.6
57.07077	11.4
67.05507	39.6
69.07070	23.5
70.61328	8.6
71.08636	6.6
79.05476	26.3
81.03420	17.3
81.07060	40.8
81.39724	4.8
83.04960	4.8
83.08629	7.0
85.10184	4.5
90.82156	3.6
91.05478	14.6
93.07044	46.2
95.04965	18.2
95.08607	30.9
97.06523	4.6
97.10189	10.0
105.07034	13.2
107.08583	19.7
109.06488	3.9
109.10147	15.6
117.07058	7.0
119.08598	9.6
121.10163	24.2
131.08597	11.2
133.10150	12.0
135.11703	12.1
137.09619	8.5
139.11125	8.1
145.10135	4.1
147.11667	6.2
149.13300	10.5
151.11165	5.6
161.13206	8.8
165.12828	4.7
175.14838	3.9
179.14340	5.0
197.05519	4.1
203.12685	11.9
218.81352	4.1
261.22134	7.6
277.21643	100.0
279.23132	10.1
279.52206	4.4
295.22720	85.1
296.22644	4.7
303.23071	8.7
371.33127	8.5
373.31076	4.9
510.60013	4.4
537.42371	5.1
555.44000	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	574.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95411	0.7
57.07061	1.6
62.50080	0.7
65.03931	1.9
69.95046	1.9
79.05499	5.7
81.07047	1.1
83.27719	0.8
85.19662	0.8
87.04469	9.9
91.05480	22.1
93.07062	8.0
93.91916	0.8
95.04977	2.2
98.22687	0.9
103.05479	3.7
105.07030	24.5
106.07318	1.0
107.04969	1.7
107.08582	1.0
109.06516	5.0
114.78668	0.9
119.04881	0.7
119.06059	4.7
120.05702	3.2
121.06510	49.2
129.78983	0.8
135.08057	100.0
136.08400	2.9
149.09592	0.9
159.08066	4.5
170.07304	1.3
171.08052	1.2
173.09607	1.2
175.07521	1.9
185.09615	6.7
197.09634	1.4
199.11171	1.4
201.12695	1.6
203.07077	1.7
209.09694	1.1
216.10172	5.5
225.09055	2.0
227.10635	2.2
228.11450	1.1
242.11742	3.3
270.11200	2.4
270.15414	0.8
288.12473	3.6
291.64786	0.8
339.15994	8.2
357.14761	1.4
367.15317	1.2
479.22034	2.0
493.23318	2.8
495.25436	1.2
497.23236	22.0
498.23395	1.4
511.24860	5.8
521.23218	7.8
539.24261	29.5
540.25220	1.0
574.38031	5.3
574.51178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86993	1.8
54.95037	1.7
55.01890	2.0
55.05503	5.1
57.03446	3.7
57.07079	38.8
65.81621	1.9
67.05500	13.5
69.07054	9.0
71.04974	1.9
71.08630	24.7
75.04474	3.2
79.05507	2.3
81.07053	14.8
83.08614	8.5
85.02898	2.7
85.10184	15.7
87.04514	2.5
89.06035	2.3
91.05479	8.5
93.07012	2.6
95.04996	2.7
95.08607	21.6
97.10162	5.4
105.07044	5.8
106.35876	1.9
109.10181	11.2
109.53346	2.1
121.06518	13.4
122.06853	2.3
122.92387	2.0
123.11698	4.0
124.93804	3.0
135.08055	16.9
136.08377	3.4
137.13240	2.3
151.07581	3.6
156.96365	6.2
191.00073	2.1
205.07285	2.1
221.22533	2.1
239.21396	3.4
239.23689	31.1
257.24677	5.2
277.94351	1.9
313.27371	100.0
314.27692	2.5
331.28506	15.7
370.47336	2.1
464.43768	2.0
493.22992	12.9
539.28619	5.9
574.36322	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	574.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95401	3.9
55.01880	7.1
55.05508	19.2
57.03454	21.4
57.07078	50.0
67.05510	32.4
69.07086	14.9
69.23834	6.1
69.24239	12.3
71.05005	3.8
71.08640	38.3
79.05499	23.0
81.03432	26.1
81.07064	35.1
83.04983	19.1
83.08618	16.5
83.38124	2.6
85.02919	4.9
85.10191	13.7
87.04486	7.9
91.05492	11.9
93.07055	29.7
95.05008	7.2
95.08613	38.0
97.02901	11.5
97.06546	10.6
97.10161	6.9
105.07033	7.1
107.04971	13.7
107.08578	15.1
109.06562	3.2
109.10159	21.2
111.04446	8.9
111.08167	6.4
117.07032	7.6
119.08582	11.4
121.06517	3.8
121.10175	12.6
123.08097	4.2
131.08601	7.2
133.10162	3.1
135.11696	22.4
145.10152	18.8
147.08087	5.6
149.09674	4.3
153.12758	19.2
163.11220	40.6
165.96292	2.9
173.09584	5.7
181.12143	7.2
191.10680	11.8
204.13657	3.1
209.11739	27.9
227.12773	18.3
239.23732	4.9
265.14264	4.7
283.15417	25.5
301.16504	66.3
301.19858	6.1
313.27408	100.0
343.62811	3.0
521.38367	28.6
539.39410	52.8
540.40100	4.1
559.61066	3.6
597.33405	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	575.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.1
59.54360	1.6
67.55837	1.1
70.06542	1.6
70.58809	2.5
84.08131	1.9
84.95979	1.7
85.02866	1.9
91.05473	1.8
98.05486	1.4
98.97579	13.3
110.97565	5.1
116.98618	6.2
128.98586	6.2
134.99675	1.6
137.05986	1.3
146.99623	3.7
161.01180	1.4
170.99600	2.1
175.03764	2.1
180.68149	1.3
189.00821	2.0
207.06526	1.5
219.01808	9.7
237.02745	14.7
237.47304	1.4
261.02866	2.5
315.05350	2.9
330.07788	10.1
333.06473	4.0
345.10110	10.7
348.08789	7.4
363.11020	16.5
368.11517	1.6
384.18033	1.6
387.11157	5.1
441.12070	2.6
489.14307	41.8
489.21457	2.5
490.14923	1.9
531.16205	18.6
543.59625	1.7
574.33240	1.5
575.15051	100.0
576.15497	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	575.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31759	0.7
57.20680	0.8
63.02374	1.1
65.03950	1.3
70.66385	0.7
78.04692	0.7
89.03913	13.0
91.05479	23.5
91.06059	1.2
95.05003	1.2
106.04201	1.3
117.03381	31.2
119.04944	29.4
119.05825	0.9
132.02083	2.5
134.03674	2.2
135.04454	1.6
145.02846	65.0
146.03221	1.5
147.04408	24.6
149.02341	1.8
149.05974	7.8
157.03998	3.9
161.06081	1.1
163.03986	1.1
164.04640	1.3
169.98761	0.8
170.24660	0.8
175.03912	42.8
176.04213	1.1
177.05475	100.0
178.05814	1.9
179.07043	2.4
186.05437	1.0
207.06528	81.6
208.06874	1.5
238.27609	0.7
274.84387	0.8
333.09903	0.9
351.10660	0.7
456.61926	0.8
557.15961	1.8
575.21082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.07088	1.3
60.69979	1.0
67.05493	1.6
69.30370	4.7
79.05495	7.3
81.07067	1.6
91.05460	5.5
93.07041	1.1
95.04972	2.0
98.22683	1.8
98.60171	0.9
103.05469	11.4
105.07035	61.0
107.04983	0.9
113.00156	0.8
113.41036	1.0
115.05454	11.9
118.04192	5.4
119.04936	7.5
131.04950	5.9
133.06496	60.7
143.04955	1.4
143.06029	8.3
147.04407	13.6
148.05203	2.5
149.05980	3.5
161.05981	100.0
162.06239	1.2
163.07520	3.5
179.07092	6.3
179.08559	1.3
184.04961	5.2
185.05679	1.7
191.07033	22.0
193.08606	50.2
215.06810	23.0
215.08902	1.0
261.07324	1.5
289.34811	1.0
321.11105	1.1
351.11734	1.8
453.15182	20.2
454.15405	1.6
575.18970	9.2
575.50427	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57746	0.9
51.69645	0.9
63.36204	0.9
65.23325	0.7
68.51926	0.8
70.06611	1.0
70.30032	2.1
72.78294	0.8
91.05486	2.3
119.04948	3.0
147.04401	1.7
155.08604	0.9
175.03957	3.8
185.25484	1.0
186.57439	0.9
187.03625	1.3
201.05263	2.5
207.06540	9.4
365.10074	1.7
380.12305	2.9
545.17578	5.5
557.18683	1.2
575.18976	100.0
576.19244	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	575.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37371	0.3
53.01495	0.3
53.92484	0.3
69.30654	1.3
82.41790	0.4
86.04031	0.3
105.07029	0.6
115.18077	0.3
185.04260	0.3
185.22633	0.4
251.10403	0.4
261.14404	0.3
377.80103	0.4
413.15717	8.5
414.16180	0.4
544.60693	0.4
560.59247	0.4
575.20984	100.0
576.21246	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	575.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44571	3.4
53.03934	7.4
55.01873	11.7
55.05260	5.1
55.05513	55.0
57.03432	16.6
59.05008	5.0
65.03941	5.5
67.05165	6.2
67.05508	100.0
69.03452	5.2
69.07076	32.1
71.04987	21.2
79.05496	74.7
81.03426	19.7
81.07059	84.9
81.08471	3.6
83.04976	12.9
83.08611	31.2
85.06543	7.5
91.05482	73.3
93.07047	70.9
95.04975	24.4
95.08610	72.3
97.02850	3.8
97.06539	10.9
97.10171	30.2
98.23508	7.4
99.08096	16.9
103.05489	3.9
105.04520	6.2
105.07031	60.3
107.04987	7.8
107.08590	44.5
109.06520	11.7
109.10154	27.0
111.08075	12.7
115.05483	5.4
116.35951	3.0
117.07027	28.6
119.08586	47.1
121.06496	11.6
121.10133	39.5
123.08073	11.6
123.11699	5.6
125.09624	25.8
128.06163	7.9
129.07011	23.1
130.07755	3.1
131.08560	50.8
133.06497	9.8
133.10127	38.4
135.08066	13.0
135.11674	11.8
137.09650	5.6
141.06943	11.9
142.07848	8.1
143.08557	28.0
145.06488	4.7
145.10112	34.2
147.07996	3.4
147.11671	18.4
149.09621	9.8
149.13312	7.6
151.11113	5.0
153.06929	3.6
155.08546	12.7
156.09167	3.8
157.10115	28.3
159.08038	3.5
159.11691	29.4
161.09634	9.1
161.13228	6.4
163.11168	6.8
165.12758	4.4
167.08572	6.7
167.10576	4.5
167.93196	3.8
169.10106	18.5
171.10315	3.8
171.11662	21.6
173.09644	7.4
173.11890	4.4
173.13219	21.3
175.11169	8.2
175.14833	5.3
178.58386	3.8
181.10046	5.6
183.11649	17.5
185.09575	5.9
185.13266	16.9
187.11183	4.4
187.14792	6.3
189.11215	9.4
191.14240	3.5
193.12247	8.7
195.11696	13.0
197.13289	9.2
199.14777	10.2
201.12790	3.7
201.16473	4.0
207.11710	4.9
209.13283	12.9
211.13184	5.8
211.14929	6.0
215.14490	3.9
223.14847	6.5
225.16408	8.1
227.12756	24.0
229.14212	5.5
237.16362	7.8
245.18855	4.8
251.16396	4.9
253.14197	4.4
267.15787	6.7
271.20416	3.8
273.18372	10.6
275.20041	4.0
285.22095	8.0
291.19507	11.6
295.20511	5.0
299.23590	12.2
301.21469	4.5
313.21622	5.1
315.23151	3.9
317.92346	3.5
325.21802	3.7
327.22815	4.2
347.22229	3.8
365.23239	4.3
415.30072	7.9
421.25845	7.8
433.31226	22.1
443.27524	4.6
451.32126	24.8
469.33066	9.5
499.34073	7.3
501.35577	4.6
507.34595	9.5
517.35266	35.0
525.35840	76.7
543.36835	84.4
557.38770	31.6
575.39923	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.0
54.00029	3.0
55.01873	9.8
55.05517	53.4
57.03437	15.0
57.07100	5.9
59.04987	5.3
62.61771	3.0
64.74895	3.3
65.03940	7.9
67.05159	6.2
67.05507	100.0
68.05883	3.9
69.03426	4.1
69.07068	31.7
71.04996	27.7
79.05494	75.6
81.03416	9.7
81.07059	88.3
81.26590	3.2
83.05009	7.9
83.08619	22.8
83.13797	3.3
84.88257	3.5
85.06566	6.8
91.04929	6.4
91.05478	62.2
93.07051	81.9
95.04975	16.3
95.08608	91.3
95.42934	3.1
97.06541	14.1
97.10172	27.8
99.08114	18.1
105.04530	5.6
105.07026	62.6
107.04984	7.2
107.08595	39.9
109.06522	11.3
109.10159	29.4
111.08092	10.9
112.07873	3.8
113.09715	4.0
115.05455	3.6
117.07022	36.6
119.08585	47.8
121.06490	10.1
121.10141	38.9
123.08089	10.5
123.11724	5.9
125.09663	19.6
128.06259	6.8
129.07004	20.9
131.08582	45.9
133.06561	3.9
133.10121	26.8
135.08083	10.3
135.11705	16.4
137.09589	5.5
141.07016	10.8
142.07768	5.2
143.08566	29.0
144.09364	4.7
145.10118	34.7
147.08064	6.7
147.11690	17.8
149.09633	11.1
149.13283	3.6
151.11263	3.6
154.07874	4.3
155.08571	19.1
155.10648	5.0
157.10130	28.5
159.11696	28.8
161.09616	6.4
161.13289	10.3
163.11186	6.7
167.08604	8.5
169.10175	17.7
171.11678	24.1
173.09608	3.8
173.13289	19.2
175.11203	6.3
177.12831	4.8
181.10147	14.3
183.11804	15.9
183.13470	3.1
185.13278	20.0
187.11174	5.5
187.14825	7.0
189.11221	8.6
189.12747	4.9
195.11667	16.3
197.13283	11.6
199.11143	4.6
199.14822	11.2
207.11623	3.5
209.13271	8.7
213.12810	4.7
221.13121	3.6
223.14870	5.3
225.16371	4.9
227.12700	21.9
273.18631	4.0
283.20535	6.9
285.22101	4.4
291.19611	5.1
299.23636	13.8
301.21704	4.2
311.20068	3.6
313.27420	4.3
321.22162	4.0
327.23178	4.1
347.22687	3.5
351.23077	4.1
361.24072	3.6
415.29922	4.7
421.25696	15.1
423.27463	6.0
431.28412	4.0
433.31216	21.1
451.32260	22.8
469.33301	9.7
469.49744	3.3
499.34406	5.6
507.34964	7.1
515.37469	4.9
517.35248	34.2
525.35815	74.7
543.36725	83.8
557.38452	31.6
575.39642	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.70151	0.9
69.03445	2.6
70.06594	2.2
73.96635	0.9
74.00668	1.6
76.02207	1.4
76.04013	1.8
80.85632	1.1
83.06099	2.0
84.04526	7.1
84.08154	1.3
85.04018	7.8
92.01691	3.1
93.07034	1.8
99.05543	1.6
111.08090	2.6
112.03960	1.5
113.03479	2.0
121.06548	1.5
129.06606	3.2
130.04993	7.2
131.04517	5.0
139.07527	1.2
145.06033	1.3
171.07910	1.3
177.03294	22.6
181.10091	1.2
181.61958	1.1
185.03813	3.6
185.09628	1.8
188.55054	0.9
194.07233	1.4
199.07254	1.3
199.11223	1.4
208.06952	1.0
209.09612	9.1
211.11128	2.8
212.08337	2.9
212.11974	1.3
212.89526	1.3
220.15805	1.0
222.10533	1.3
225.09137	6.0
226.09839	2.8
227.10670	10.1
229.12154	1.8
230.07594	2.8
231.04381	4.5
231.08240	1.4
233.09627	1.0
237.09148	4.9
238.09798	1.0
239.10687	4.2
240.07823	4.0
240.11452	8.4
241.12215	12.3
245.09909	1.4
253.08574	3.5
254.09091	1.1
255.10258	65.3
256.10480	2.9
258.07053	6.1
267.10190	3.4
268.10999	9.7
269.11700	18.0
270.12515	74.8
271.12939	2.2
273.09470	14.6
283.07986	2.3
286.06610	1.9
288.06192	1.3
301.08932	100.0
302.09308	3.8
306.07489	2.0
327.10400	1.8
344.13135	9.7
430.13211	4.9
447.09674	1.6
447.15884	28.3
501.16724	9.0
532.56317	1.1
576.19287	7.7
576.28107	5.0
577.20221	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	576.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.70151	0.9
69.03445	2.6
70.06594	2.2
73.96635	0.9
74.00668	1.6
76.02207	1.4
76.04013	1.8
80.85632	1.1
83.06099	2.0
84.04526	7.1
84.08154	1.3
85.04018	7.8
92.01691	3.1
93.07034	1.8
99.05543	1.6
111.08090	2.6
112.03960	1.5
113.03479	2.0
121.06548	1.5
129.06606	3.2
130.04993	7.2
131.04517	5.0
139.07527	1.2
145.06033	1.3
171.07910	1.3
177.03294	22.6
181.10091	1.2
181.61958	1.1
185.03813	3.6
185.09628	1.8
188.55054	0.9
194.07233	1.4
199.07254	1.3
199.11223	1.4
208.06952	1.0
209.09612	9.1
211.11128	2.8
212.08337	2.9
212.11974	1.3
212.89526	1.3
220.15805	1.0
222.10533	1.3
225.09137	6.0
226.09839	2.8
227.10670	10.1
229.12154	1.8
230.07594	2.8
231.04381	4.5
231.08240	1.4
233.09627	1.0
237.09148	4.9
238.09798	1.0
239.10687	4.2
240.07823	4.0
240.11452	8.4
241.12215	12.3
245.09909	1.4
253.08574	3.5
254.09091	1.1
255.10258	65.3
256.10480	2.9
258.07053	6.1
267.10190	3.4
268.10999	9.7
269.11700	18.0
270.12515	74.8
271.12939	2.2
273.09470	14.6
283.07986	2.3
286.06610	1.9
288.06192	1.3
301.08932	100.0
302.09308	3.8
306.07489	2.0
327.10400	1.8
344.13135	9.7
430.13211	4.9
447.09674	1.6
447.15884	28.3
501.16724	9.0
532.56317	1.1
576.19287	7.7
576.28107	5.0
577.20221	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	576.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98890	1.1
51.02391	1.3
52.09381	1.2
53.03949	2.8
55.01889	1.4
55.05507	2.9
57.03439	4.9
61.02934	5.6
62.84061	1.2
67.05491	2.8
69.03430	30.1
69.35766	5.3
70.97400	1.3
71.05002	3.7
73.02922	5.6
76.19095	1.2
79.05484	3.1
81.03418	14.9
81.07057	3.3
83.04986	5.8
85.02906	69.9
87.04464	27.1
91.03963	3.1
91.05484	3.2
92.76694	1.2
93.07045	4.8
95.04966	9.7
95.08630	3.2
97.02888	34.5
97.03484	2.2
97.06541	3.0
99.04449	6.9
105.04579	1.3
105.07035	9.5
107.08597	4.8
109.02883	14.8
109.06533	5.5
111.04451	7.0
111.08068	2.0
113.05993	1.8
115.03931	100.0
117.07056	1.6
119.08580	9.6
121.02897	1.5
121.06537	4.7
121.10099	2.1
123.08080	8.4
127.03919	52.0
130.07854	1.6
131.08582	5.4
133.04968	34.7
133.06509	2.1
133.10100	3.6
135.08057	8.2
137.06026	1.4
137.09651	1.7
141.06982	1.3
142.07707	1.5
143.08611	4.7
145.04956	40.6
145.10153	6.7
147.04413	6.7
147.08044	4.5
147.11749	1.4
149.09599	2.1
155.08620	2.0
156.09363	2.2
157.04996	2.3
157.10109	3.7
158.07211	1.9
158.10847	1.6
159.08084	4.5
159.11700	4.6
161.09579	6.0
163.06021	8.9
165.09149	4.2
167.06993	1.4
171.08075	2.0
171.11668	3.6
172.08839	3.5
173.09612	3.4
173.13260	2.7
174.96239	1.3
175.06253	1.5
175.07539	6.4
175.11226	4.3
183.11746	3.7
187.11200	5.4
189.09021	6.4
193.08618	1.8
196.08827	1.6
197.43755	1.3
199.11214	12.1
201.12715	6.3
203.10658	6.6
211.11203	5.8
217.12282	7.6
219.13818	1.9
229.12186	7.6
241.07100	4.2
247.13293	57.5
248.13628	1.8
259.08145	15.4
259.30011	1.2
265.14346	59.0
266.14725	1.3
277.09177	38.1
310.05429	1.3
327.55536	1.4
372.60272	1.3
391.00183	1.2
523.21466	3.5
576.31091	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	576.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01871	4.5
55.05507	2.5
57.03426	0.6
64.28042	0.5
65.03931	0.9
67.05502	3.8
69.03424	6.5
69.07071	5.9
69.28615	2.5
70.06591	13.0
71.04988	2.6
77.03942	1.4
79.05490	12.7
81.03419	3.2
81.07046	2.0
83.04983	4.6
84.61212	0.5
85.02901	1.9
87.00832	0.6
91.05476	7.4
93.06517	0.8
93.07045	8.3
95.03596	0.4
95.04969	7.3
95.08598	1.7
97.02885	1.1
97.05968	0.8
97.06536	11.3
98.06850	0.6
99.04455	4.1
103.05457	2.0
105.04510	1.4
105.07029	46.6
106.07359	0.5
107.04961	6.9
107.08613	2.4
107.09287	0.4
108.05796	0.6
109.02840	1.5
109.06503	1.5
111.04464	1.0
111.08070	2.1
112.07575	1.8
113.06003	0.7
115.05443	1.6
116.10761	0.8
117.07011	7.1
119.04946	1.2
119.08572	2.7
121.02902	0.5
121.06502	33.2
125.05982	6.4
127.03913	1.8
128.06221	2.0
129.07007	4.0
130.07765	3.8
131.04982	0.8
131.08569	10.4
131.16028	0.4
133.06488	24.9
133.10117	2.3
135.04390	1.7
135.08046	0.9
137.05951	0.7
141.06999	3.2
142.07712	0.7
143.07022	6.8
143.08560	5.1
144.05710	0.9
144.09322	2.2
145.05260	0.8
145.06483	11.8
145.10120	53.5
146.07245	1.3
146.10477	1.5
147.08038	2.2
151.07564	1.1
151.08740	0.6
153.06987	1.4
154.07745	3.3
155.06018	1.0
155.08543	8.9
156.09328	0.7
157.06488	0.9
157.10156	1.8
158.07269	19.3
159.04453	0.7
159.08058	13.3
159.11696	17.3
161.09616	3.1
163.03915	0.9
163.07500	0.6
163.11148	0.6
169.10117	7.9
171.08075	2.7
171.11655	1.5
172.08812	6.6
173.09618	100.0
174.09933	1.9
179.08517	3.2
180.70937	0.5
182.07214	2.6
187.11179	38.4
188.11453	1.1
189.12697	1.0
191.10678	2.0
197.09633	12.5
197.11433	0.7
200.08301	0.7
205.10286	0.8
205.12228	16.3
206.12503	0.5
213.09050	0.6
215.10667	75.0
216.10956	1.9
233.11722	71.1
234.12047	1.9
251.12758	1.5
256.11707	0.8
259.09692	0.5
260.16473	1.6
274.12787	1.4
275.20032	1.0
312.75809	0.5
319.11691	3.7
325.80777	0.5
337.12775	18.9
338.13019	0.7
355.13876	15.3
481.17032	1.1
483.56503	0.5
499.18188	8.3
532.25342	0.7
576.28668	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	576.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01870	5.0
55.05510	3.3
55.05729	0.7
57.03428	0.8
57.56712	0.5
65.03933	0.7
65.28271	0.4
67.05496	4.6
69.03075	0.4
69.03432	7.2
69.07062	6.3
70.06242	0.9
70.06593	13.2
71.04988	2.8
77.03901	0.9
79.05495	13.3
81.03418	6.7
81.07051	3.5
83.04984	4.7
84.08138	0.6
85.02920	3.2
85.06533	0.7
91.05475	9.0
93.07041	10.9
95.04960	9.4
95.08598	2.0
97.02898	2.8
97.06532	10.2
99.04455	6.9
103.05453	2.1
105.04506	1.6
105.07030	47.6
106.07337	0.8
107.04955	8.1
107.08588	4.0
109.02888	2.8
109.06500	3.5
111.04411	1.1
111.96758	0.4
112.07573	2.5
113.06022	1.2
115.05418	2.5
116.10706	1.8
117.07008	7.2
119.04938	2.3
119.08591	5.0
121.02893	0.9
121.06506	36.2
122.06841	0.9
123.04453	0.7
123.11763	0.5
125.05978	7.6
126.06335	0.6
127.03891	1.8
128.06226	2.4
129.06985	4.2
130.07791	4.4
131.04918	1.4
131.08560	11.0
131.45590	0.4
133.06488	25.7
133.10098	4.4
135.04408	2.5
135.08029	1.9
137.05962	1.3
139.07529	1.7
141.06993	3.8
142.07750	0.9
143.07025	7.9
143.08534	5.8
144.05710	1.2
144.09329	3.4
145.06482	13.7
145.10121	57.3
146.07260	1.0
146.10417	1.3
147.08060	2.5
147.11690	1.0
149.05989	1.0
151.07520	1.4
153.06981	2.1
154.07762	4.4
155.06027	0.7
155.08549	10.1
156.09369	0.7
157.06448	1.3
157.10153	2.7
158.07265	18.9
159.04510	0.7
159.08067	15.0
159.11687	21.6
160.08432	0.6
161.05948	0.7
161.09593	4.0
163.03911	0.8
165.07069	0.5
167.08571	1.0
169.07756	0.6
169.10120	9.8
171.08087	2.3
171.11685	1.8
172.08820	6.6
173.09619	100.0
174.06802	0.5
174.09941	2.8
175.14777	0.7
179.08565	4.6
181.06494	0.6
182.07294	4.9
185.09624	0.9
187.11177	42.4
188.11505	1.1
189.09062	0.6
189.12720	1.1
191.10660	2.0
197.09612	16.8
198.10010	0.5
203.10652	0.9
205.12242	21.8
206.12564	0.8
211.11226	0.8
213.09088	0.7
214.18025	3.2
215.10670	82.3
216.11023	2.8
229.12291	1.0
233.11720	77.7
234.12030	2.9
241.08618	1.0
251.12816	4.3
257.11755	1.8
259.09515	0.6
260.16473	0.8
274.12976	1.1
275.12708	1.7
275.20059	1.3
281.11972	0.6
299.12735	0.6
313.14224	0.5
316.21237	1.2
319.11719	3.5
323.12518	0.6
329.17609	0.6
337.12811	17.6
338.13263	1.1
341.13818	1.5
355.13834	6.0
359.14545	0.8
361.12927	1.1
366.17303	0.6
376.23328	0.6
377.15955	1.8
395.16885	0.6
409.05341	0.5
481.16949	6.4
499.18073	19.5
500.18066	1.0
532.25037	0.9
576.25171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01875	1.8
55.05508	1.6
55.57786	0.9
59.77597	0.8
67.05510	2.7
69.03426	16.2
69.07072	3.1
69.36995	3.4
69.37357	1.9
71.04984	3.1
71.85679	0.9
79.05496	8.7
79.33109	0.9
81.03426	5.6
81.07050	4.2
83.04992	1.7
85.02897	2.3
91.05482	6.7
93.07053	1.9
95.04959	4.6
95.08625	1.7
97.02929	1.0
97.06505	4.9
98.23519	1.0
99.04457	6.4
99.94270	1.0
103.05474	2.3
105.07031	61.6
106.07341	1.5
107.04936	1.4
107.08590	3.3
109.02888	1.6
109.06556	1.8
115.05453	1.3
116.06222	1.0
117.07021	8.3
119.04965	1.1
119.08583	5.3
121.06470	5.5
125.06002	2.1
127.03911	2.1
128.06213	1.7
129.06995	4.3
130.07805	5.5
131.08571	12.1
133.06476	13.9
133.07390	1.5
133.10139	7.1
135.04466	1.1
141.07007	0.9
143.07077	2.1
143.08548	7.0
144.09331	5.8
145.06436	4.9
145.10123	100.0
146.10530	1.6
147.08113	1.4
154.07793	3.1
155.08574	3.3
157.10054	1.8
158.07239	8.1
159.08089	4.9
159.11693	36.1
161.09583	7.9
163.07677	1.1
163.11290	1.6
165.39622	0.9
169.10135	7.1
171.07994	1.2
171.11639	1.0
172.08821	4.2
173.09618	37.9
174.09927	1.2
187.11166	30.5
188.11440	1.0
189.12764	4.5
191.10637	1.9
197.09697	5.4
204.11743	0.9
205.12234	92.4
206.12531	2.4
214.17949	1.7
215.10670	80.6
216.11053	2.7
233.11723	44.0
234.11951	1.4
251.12810	3.8
303.15784	1.0
309.13306	3.5
313.14487	1.2
319.11841	6.4
337.12802	17.9
349.65466	1.0
355.13855	2.1
359.14948	1.8
363.36014	1.2
384.80768	0.9
481.17102	3.3
499.18277	9.5
560.31598	0.9
576.35742	3.0
584.49933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
54.88236	0.4
55.01866	1.0
55.05500	1.5
59.04998	1.0
67.05503	1.5
68.99790	0.7
69.03432	32.6
69.07051	0.6
69.43389	1.5
70.03780	0.4
71.04983	0.9
72.95608	0.4
79.05497	1.6
79.41550	0.4
80.05006	1.2
81.03411	0.5
81.07056	1.3
83.01351	0.7
83.04970	3.6
85.02909	0.9
86.06063	1.7
91.05470	3.4
93.07045	4.7
94.06570	0.5
95.04979	1.1
95.08611	1.5
96.08121	1.0
97.02885	1.8
97.06538	1.2
98.23447	0.9
99.04457	1.6
101.05970	0.7
105.04469	0.6
105.07021	2.2
106.06582	1.1
107.04937	0.6
109.06531	1.1
109.08955	0.4
111.04468	2.3
111.08083	75.6
112.08443	1.0
113.06006	1.0
117.07029	0.8
119.04939	0.5
119.08602	2.4
120.08130	1.2
121.06535	1.5
122.09673	1.5
123.04433	0.9
123.08054	1.0
124.07572	0.8
125.05968	1.0
127.03911	1.2
129.05489	0.9
129.06987	0.7
131.08565	0.6
133.06523	0.7
133.10150	0.6
134.09673	3.0
135.08002	0.7
136.07657	0.4
136.11205	1.9
137.05949	0.8
139.03947	2.2
139.07539	19.2
143.08533	0.5
146.09656	1.0
147.08011	1.0
148.11229	1.5
149.05997	1.4
149.09631	0.4
150.09151	1.6
151.07529	1.2
152.10684	0.5
153.09132	0.7
155.03378	0.6
155.07156	0.6
155.08492	0.4
157.05040	0.7
158.09720	0.5
159.08034	0.6
160.11308	0.5
161.06046	0.7
162.12784	0.4
163.07565	1.3
167.07086	0.7
168.10175	0.6
172.08746	0.4
172.11217	0.5
175.07571	0.5
175.11244	1.1
175.14909	0.6
176.10876	0.7
177.09120	0.6
179.07074	1.2
181.08633	0.6
182.11815	0.6
185.09581	0.5
187.07515	0.6
189.09084	1.1
191.07040	0.6
191.10756	0.6
193.08644	1.2
194.51187	0.4
195.10176	0.6
200.10741	1.5
201.09093	0.6
203.10703	0.5
204.13924	1.4
205.08525	0.7
207.06566	0.8
221.08258	0.8
221.11760	0.8
231.10255	0.6
232.13313	0.5
237.07591	1.0
239.09053	3.7
242.15384	0.8
243.10240	0.7
245.11958	0.5
247.09697	0.9
249.11371	0.5
253.12396	0.5
260.16507	1.3
265.07242	2.6
265.10672	3.9
267.10254	0.6
270.15021	0.9
274.18085	0.9
288.16190	0.5
292.19110	2.9
293.10367	2.9
293.13922	0.3
294.17154	0.9
303.12402	0.8
307.11911	0.5
317.13947	1.5
320.18378	0.5
322.16516	1.2
329.06732	0.6
329.17160	0.5
331.15427	0.6
338.19754	0.7
349.16611	1.1
359.15015	1.8
377.15973	10.7
378.16397	0.9
465.76859	0.4
517.09436	0.5
530.27423	1.0
544.25238	3.0
558.27045	10.1
558.35693	0.7
576.28052	100.0
577.28656	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	576.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.8
53.03946	3.8
55.01874	4.5
55.05516	15.2
57.03438	15.1
57.07095	1.1
59.05008	1.7
59.65409	1.0
67.05502	19.7
69.03439	3.8
69.07069	5.0
69.36017	1.8
69.36422	4.1
71.04985	4.1
79.05496	19.2
81.03419	73.5
81.07055	24.7
82.03769	1.5
83.01351	1.2
83.04973	8.0
83.08615	20.6
85.02908	4.3
85.06548	2.6
91.05482	25.7
93.07047	18.5
95.04969	24.7
95.08588	8.7
97.02888	4.8
97.06538	3.7
97.10158	5.9
99.00825	8.4
99.08107	2.1
103.05508	1.3
105.07031	18.4
105.20746	0.9
107.04970	10.7
107.08591	11.1
109.02892	6.6
109.06522	7.3
109.10188	5.1
111.04460	2.1
111.08061	8.7
113.05984	1.9
115.03937	2.2
115.05469	1.9
116.84144	1.2
117.07022	4.3
119.08581	16.6
121.06496	6.4
121.10117	5.6
123.04427	1.7
123.08027	2.5
123.11714	2.0
125.09624	5.2
127.03922	1.4
128.06250	1.3
129.07002	9.2
131.08582	10.0
133.06485	2.5
133.10124	21.9
135.08049	3.3
135.11615	1.4
137.09634	2.9
139.07503	1.5
142.07787	3.0
143.08565	4.6
145.06500	2.0
145.10126	3.9
147.08046	3.5
147.11687	9.3
149.09624	4.5
151.11153	5.3
155.08572	1.4
157.10109	9.0
161.09622	9.0
163.11166	3.4
165.12787	1.4
171.08055	2.0
175.11192	8.8
179.10680	5.3
189.09114	6.4
189.11197	3.8
193.12216	24.3
193.52815	1.0
197.11732	1.8
211.13295	14.2
219.13884	5.6
225.11224	6.0
225.14932	1.2
227.12758	2.0
249.14848	2.0
267.15918	100.0
268.16196	2.8
273.18842	1.1
281.13858	4.6
283.15500	3.1
285.17007	12.9
292.19910	1.3
299.14886	49.5
300.15091	1.0
367.22684	4.5
385.23752	5.1
389.23325	1.5
399.21616	1.0
403.12463	1.0
403.24860	1.5
405.90717	1.1
445.25714	4.4
459.21451	2.0
459.27408	21.9
463.26730	2.4
473.25281	10.4
477.21606	1.2
477.28510	20.6
491.26340	48.6
492.26501	1.3
505.31155	1.4
509.27362	1.5
558.35016	3.2
576.35974	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	576.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68536	3.8
55.01875	6.9
55.05528	22.3
56.65951	3.9
57.03445	14.1
67.05505	33.2
69.03413	5.7
69.07063	7.9
69.16167	26.3
71.04993	9.4
75.82281	4.0
76.13948	4.2
79.05495	41.8
81.03415	100.0
81.07063	44.5
83.04978	20.2
83.08610	27.2
85.02906	21.8
91.05480	53.1
93.07051	29.9
95.04976	36.3
95.08606	16.9
97.02911	8.6
97.06528	7.7
97.10154	5.2
103.26103	4.1
105.07028	33.8
107.04939	11.8
107.08572	14.3
109.06506	5.3
109.10146	4.8
111.04467	5.5
111.08072	11.8
113.05988	5.3
119.08556	33.7
121.10165	13.0
125.09581	4.7
129.07008	12.9
131.08565	16.8
133.06488	5.3
133.10130	15.1
135.11707	5.7
145.10103	5.7
147.11691	22.5
149.09618	7.4
157.10120	21.1
175.11186	15.1
175.60475	4.4
182.43137	4.7
193.12225	43.9
211.13287	49.0
229.77451	4.5
267.15921	82.4
285.16986	28.5
367.22144	5.2
385.23911	12.2
459.27423	41.1
468.86343	4.8
477.28574	44.2
481.74414	4.8
495.29489	66.4
496.29510	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	576.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
55.05512	18.1
57.03442	12.6
58.22971	1.2
59.04988	1.4
65.03953	1.5
67.05504	20.6
69.03426	4.1
69.07065	8.2
70.60269	1.8
70.60582	1.7
71.04993	5.4
79.05492	21.3
81.03420	82.2
81.07059	23.4
83.04983	11.2
83.08620	22.7
85.02907	4.8
87.04486	1.2
91.05479	30.8
93.07053	17.9
95.04411	2.5
95.04973	27.9
95.08624	11.2
95.28957	1.1
97.02900	4.6
97.06525	5.7
97.10177	8.5
99.00825	3.7
99.08064	2.5
105.07035	23.3
107.04947	11.2
107.08596	11.8
109.02882	4.1
109.06534	8.5
109.10158	6.3
111.04441	3.2
111.08082	10.3
117.07028	5.1
119.04989	1.3
119.08582	19.1
121.06492	7.2
121.10143	9.6
123.08076	4.6
123.11700	2.1
125.09652	5.3
126.90932	1.3
129.07002	10.4
131.08565	12.1
133.06544	3.6
133.10124	16.0
135.08040	3.1
135.11679	2.0
137.09573	2.7
142.07823	2.9
143.08604	3.0
145.06474	2.7
145.10161	3.6
147.08086	4.5
147.11681	12.5
149.09612	7.7
151.11179	3.0
155.08556	1.9
157.10136	11.8
161.09654	5.0
163.11200	2.7
165.12758	2.5
171.08054	2.9
171.11624	2.2
173.09763	1.5
173.13350	1.9
175.11195	8.5
179.10748	2.0
184.07451	1.5
189.09192	2.6
189.11272	3.4
193.12247	28.0
195.11823	1.9
211.13286	18.9
219.13837	3.6
225.11069	2.8
227.12746	3.2
249.14943	2.7
267.15900	100.0
268.16211	2.2
273.14828	2.0
281.13922	2.4
283.15430	3.3
285.17014	22.2
299.14832	24.0
316.15399	1.8
349.21619	2.2
367.22736	9.9
385.23730	13.0
403.24649	3.4
433.25681	2.0
441.26416	4.0
445.25681	4.6
459.27429	50.1
460.27527	1.7
463.26459	1.8
473.25241	5.1
477.28409	39.9
477.34894	2.6
484.30896	1.3
491.26019	23.1
558.35034	5.1
576.35797	5.5
590.15887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05513	1.0
57.07077	75.6
59.04996	0.6
67.05499	1.3
69.03444	0.8
69.07070	0.6
71.08636	2.0
71.17374	0.5
73.06551	1.4
77.03936	1.0
79.05489	1.3
81.07047	1.2
83.01928	0.4
83.04955	1.0
83.08625	0.7
86.09167	0.4
86.09718	0.6
87.04469	15.4
89.06033	100.0
90.06355	0.6
91.05480	7.9
91.07614	0.9
93.07050	8.6
95.04967	3.5
95.08602	0.6
97.10162	0.6
101.44073	0.4
103.05466	2.4
104.10737	2.8
105.04507	1.4
105.07024	2.5
107.04973	0.5
107.07056	1.6
107.08575	3.6
107.72170	0.4
109.06513	0.9
109.10165	0.7
113.13277	1.6
117.07020	1.8
117.09177	0.8
118.07807	6.4
119.04937	4.2
119.08578	6.0
121.06507	36.3
121.10130	1.3
122.06800	0.5
123.08044	1.1
129.06950	0.5
130.08632	2.4
131.07037	7.3
131.08499	0.8
133.08606	69.1
134.08922	0.6
135.08076	4.9
135.11674	2.3
136.12134	0.5
145.10066	0.6
146.98236	0.7
147.08049	12.7
149.09596	5.5
149.13254	0.7
150.06750	3.1
159.11729	2.8
163.07455	0.7
163.11180	2.8
165.09120	17.3
167.10715	2.4
173.09665	0.5
175.09677	2.9
175.11023	0.7
175.15985	0.5
177.11238	30.0
177.12703	2.8
191.10657	3.9
193.12270	1.6
209.11723	7.9
211.13284	3.3
221.13870	7.3
221.15927	0.9
231.17407	0.9
233.18996	25.6
235.13243	3.7
237.14784	0.5
239.14964	1.3
253.14421	3.1
255.15904	3.1
259.20578	3.3
265.16455	2.1
271.15390	0.7
275.23773	1.2
277.21628	38.2
278.22018	1.5
279.15851	1.1
283.17468	2.0
297.16913	0.8
299.18591	0.6
303.23187	3.2
309.18915	1.7
315.17950	2.2
321.24252	11.9
322.24872	0.5
323.18533	0.9
341.19492	0.9
353.21448	0.6
359.20767	4.0
403.23264	3.0
422.26373	0.5
429.25122	0.5
447.25900	24.0
448.26181	1.0
459.24295	1.1
471.33011	1.0
515.35486	2.0
518.31964	2.1
559.38397	36.6
560.38879	2.2
576.41101	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	576.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34349	2.7
55.05511	4.5
57.03429	12.7
57.07076	31.1
57.33691	3.1
58.80665	3.2
58.95092	2.9
63.88518	3.0
67.05504	14.9
69.07068	9.7
69.10776	21.9
71.08649	20.9
79.05489	8.5
81.03413	61.4
81.07058	23.7
83.08626	17.2
84.89919	3.4
85.10197	8.6
87.11650	2.9
89.16382	3.0
91.05478	10.7
93.07052	9.0
95.04955	18.9
95.08602	18.3
105.07028	11.7
107.04987	3.3
107.08570	6.1
109.10172	8.9
111.08119	5.0
119.08582	7.3
121.10148	7.1
129.07001	7.8
130.07451	3.2
131.08574	4.3
133.10141	5.8
147.11688	7.1
149.09674	3.3
157.10088	7.7
159.11578	3.7
175.11223	6.8
193.12209	18.4
267.15900	100.0
299.25766	83.0
313.27408	3.7
405.61667	3.0
491.37338	65.4
523.38550	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	577.057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42928	0.6
70.61723	0.6
70.91602	0.7
79.09834	0.6
84.61442	0.6
94.93005	4.0
104.40254	0.7
105.80760	0.7
107.99144	0.6
114.44119	0.6
123.29925	0.7
141.73788	0.6
162.95586	12.1
177.34283	0.7
190.95076	42.0
200.29373	0.8
234.94057	100.0
235.94376	1.3
324.95755	0.7
372.90021	0.7
375.58545	0.7
381.07928	23.9
418.96292	1.1
419.03043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1343
Annotation	Proanthocyanidin A1
Peak:m/z	Relative Intensity
53.37803	0.7
55.86707	0.6
65.03923	0.9
67.05479	1.7
68.99767	2.8
69.03395	2.9
69.44361	3.0
70.06553	1.5
71.95860	0.9
85.02914	0.8
91.05466	1.5
93.07016	0.8
95.04973	4.5
97.02856	2.7
97.06516	1.0
105.03342	1.1
105.07000	0.8
106.09077	0.7
107.04939	4.3
111.04419	2.5
115.05416	1.1
119.04916	3.1
123.04427	80.5
124.04770	1.4
125.05971	2.2
131.04939	1.1
135.04373	3.0
139.03900	12.5
145.02754	1.0
147.04413	11.4
151.03900	84.0
152.04236	1.5
153.05463	10.8
161.03500	1.2
161.05954	2.6
163.03896	18.4
165.05484	8.4
171.04356	2.3
173.06096	1.0
175.03920	1.2
179.03427	2.5
181.04956	44.8
181.56598	0.8
182.05125	0.9
187.03989	1.0
189.05466	18.9
191.03378	1.6
199.03899	7.2
201.05554	0.8
203.03334	2.0
213.05446	2.5
215.03424	9.2
217.04958	28.5
227.03386	8.1
229.05025	4.3
239.07190	0.9
241.04874	4.2
242.47624	0.8
243.02814	2.6
243.06555	1.1
245.04453	100.0
246.04784	2.6
247.06120	0.7
251.07051	0.8
257.04459	5.0
263.75131	0.7
269.04453	1.6
287.05496	2.5
295.05930	0.8
305.07782	0.8
308.94983	0.7
319.05923	1.6
351.08560	0.9
361.07202	3.6
379.08054	4.0
389.06711	1.2
397.09152	8.5
407.07639	2.6
425.08658	83.1
426.08951	3.6
559.12280	1.4
577.13354	72.5
578.13660	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	577.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.5
69.21259	1.1
69.35992	3.6
79.05483	1.9
89.03960	1.2
89.21888	0.9
91.05489	2.8
95.05003	1.2
98.22662	1.9
102.32210	0.9
103.05476	23.4
105.07053	10.8
106.04166	2.1
107.04990	2.6
115.05466	3.7
117.06979	1.1
118.04181	5.5
118.62756	0.9
119.04970	2.6
120.44709	0.9
121.06516	2.8
130.04169	2.3
131.04927	23.3
133.02837	2.7
133.06493	12.4
134.07303	1.4
135.08078	1.2
143.06026	1.2
146.03419	5.2
147.04509	1.5
148.05188	13.8
149.05981	15.5
151.03926	12.0
151.05029	1.8
157.17372	0.9
161.05995	15.8
162.02864	1.3
162.06778	2.6
163.07547	22.1
164.08316	0.9
169.02606	1.2
173.02113	1.5
173.05954	1.8
176.04683	1.8
177.05508	3.1
184.04973	21.8
184.06505	1.5
185.05737	8.0
189.05278	6.7
190.02368	23.2
191.07033	100.0
192.07701	1.7
193.08591	6.0
195.06520	1.5
215.06790	83.0
217.04782	4.4
219.12439	1.0
253.75650	1.0
256.09641	2.0
306.18607	1.0
379.11484	2.7
382.10245	39.6
383.10895	1.1
409.12582	21.4
409.17676	1.6
577.16840	74.4
578.17358	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	577.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11571	0.3
59.11160	0.4
69.21000	0.3
70.06591	0.4
70.41766	0.7
74.46699	0.4
79.31908	0.4
97.23718	0.4
98.22776	0.4
98.97620	0.4
111.08107	0.4
159.04126	0.5
177.46198	0.3
224.62187	0.4
237.53133	0.4
257.22565	0.4
259.01349	0.8
371.46411	0.4
380.12436	0.8
491.28235	0.4
498.30042	0.4
533.19434	0.7
577.20398	100.0
578.20642	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	577.205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63518	0.3
57.95103	0.2
59.93950	0.3
69.03438	0.4
69.13268	1.2
69.13675	0.5
98.97580	0.3
111.08105	0.5
131.90848	0.2
137.05933	0.4
154.85851	0.2
159.04138	0.4
171.51749	0.3
191.10732	1.0
237.02898	0.3
269.11783	1.6
269.20016	0.2
270.12448	0.3
279.03983	0.4
365.09631	0.3
380.12469	0.5
577.20465	100.0
578.20795	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	577.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16320	1.1
51.62546	1.2
53.23214	1.1
54.51770	0.8
55.05512	1.9
65.03945	1.0
67.05506	4.2
69.03438	1.3
79.05488	2.3
81.07057	4.5
83.04937	1.0
91.05463	5.4
93.07018	5.3
94.54069	1.0
95.04947	1.1
95.08616	2.9
98.98479	9.5
105.07027	2.7
107.08608	3.2
109.06519	1.2
109.10172	1.5
119.06087	1.4
119.08615	1.3
121.06504	11.9
121.10139	2.1
131.08577	1.3
133.10152	1.5
135.08104	1.0
135.11732	1.8
145.10225	1.2
147.11719	1.1
151.07579	2.8
154.94212	1.1
155.01062	8.1
159.11774	1.4
174.84477	1.0
188.34398	1.1
233.18993	1.0
243.21132	1.8
257.12015	1.0
260.49213	1.0
261.22263	4.4
273.36914	0.9
299.12906	1.7
309.10852	1.1
317.06384	1.8
335.25842	6.8
342.62589	1.1
407.46466	1.2
471.17896	2.2
514.23132	2.0
577.22009	100.0
578.22015	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
59.06124	0.5
60.05661	0.3
63.02378	0.5
67.05505	0.5
69.07066	0.6
69.72117	1.0
72.59923	0.3
76.74600	0.2
79.05453	0.4
81.07063	0.6
89.03913	6.5
91.05493	0.7
93.07062	0.4
95.08614	0.7
103.05494	0.4
106.04191	0.4
109.10159	0.2
117.03379	20.5
120.79343	0.2
124.05260	0.3
132.11032	0.3
134.03633	1.3
135.04420	1.2
145.02846	49.9
146.03163	0.4
149.05978	6.6
158.05968	0.5
163.03900	0.8
177.05466	100.0
178.05830	1.5
186.05489	2.8
193.45340	0.2
195.06581	0.4
196.03101	0.2
237.15710	0.3
251.09122	1.2
518.49493	0.3
559.36304	1.8
577.37408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63852	0.2
55.05534	0.3
57.03434	9.1
61.02925	2.2
63.02386	0.4
67.05505	0.9
69.07062	0.4
69.30121	0.3
69.30415	1.4
75.04487	0.3
78.04724	0.4
79.05498	0.2
81.07043	0.6
89.03914	4.2
91.05483	0.3
95.08588	0.9
96.11419	0.3
103.05476	0.3
109.10124	0.3
117.03375	15.4
117.05487	21.1
119.04933	0.3
125.50953	0.3
134.03619	1.2
135.04398	0.9
145.02844	41.0
146.03207	0.5
149.05977	5.8
158.06078	0.4
163.03880	0.6
177.05463	100.0
178.05777	1.3
186.05519	2.3
195.06505	0.4
277.24213	0.3
293.10165	0.6
480.74298	0.3
493.23050	0.3
495.68091	0.3
559.36420	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	577.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
54.19986	1.7
55.01874	7.8
55.05253	4.1
55.05513	55.9
57.03434	9.8
57.07072	9.1
59.05012	5.8
65.03944	4.5
67.05509	100.0
69.03436	5.0
69.07074	34.4
71.04996	14.0
71.08630	5.9
71.97432	2.2
79.05499	59.5
81.03445	6.3
81.07059	89.0
83.04998	6.7
83.08628	27.2
85.06560	7.5
87.89450	1.9
91.05482	53.1
93.07049	65.3
95.04968	14.4
95.08609	55.1
96.35442	1.9
97.06538	11.4
97.10169	28.5
99.08089	4.0
105.04529	2.5
105.07035	55.7
107.04977	5.4
107.08602	41.1
109.06563	5.7
109.10168	26.8
111.08113	7.7
112.94370	1.8
113.09644	2.3
117.07021	22.7
119.08582	35.3
121.06550	7.4
121.10175	20.2
123.08115	6.9
123.11755	9.2
125.09641	24.7
128.06219	2.7
129.06985	13.1
129.60217	2.2
131.08575	40.0
133.06470	3.1
133.10149	20.8
135.08069	10.5
135.11716	12.5
137.09679	2.9
137.13266	5.5
139.11267	2.4
141.07033	5.4
142.07813	3.3
143.08577	23.6
145.06490	4.1
145.10147	27.5
145.11226	2.7
147.08101	6.0
147.11678	14.8
149.09671	7.6
149.13307	6.2
151.11214	2.5
153.09190	3.1
153.12794	2.4
155.08588	12.6
157.09087	2.3
157.10117	13.0
159.08125	3.0
159.11720	11.8
161.09657	5.3
161.13216	13.6
163.11232	6.4
163.14816	5.8
165.12875	5.5
167.08580	4.4
169.10155	11.3
171.10292	3.7
171.11746	8.4
173.09692	5.1
173.11853	3.6
173.13364	13.8
175.11224	2.9
175.14824	10.9
177.12834	3.7
177.16353	2.4
179.08727	2.9
181.10162	6.3
183.11757	8.7
185.13324	11.3
187.14804	10.0
189.11282	13.9
189.12793	3.7
189.16467	8.1
191.14348	2.4
193.12260	2.0
195.11772	4.5
197.13277	9.4
199.13261	3.8
199.14912	10.9
201.12889	2.7
201.16525	4.7
203.14473	2.4
209.13345	4.2
211.14919	6.7
213.16484	7.0
215.18126	2.2
217.15970	4.1
221.13333	3.2
223.14908	3.6
225.16566	3.0
227.12778	46.8
229.14349	4.1
245.19212	2.2
259.15457	2.2
261.22406	4.3
263.20215	2.9
267.15887	4.9
275.20166	2.8
275.23776	2.7
277.21732	3.8
283.15756	2.7
283.24335	4.6
285.22327	2.8
287.23727	5.5
289.21713	3.4
299.23724	4.7
301.21912	3.5
301.25180	20.2
303.23294	2.2
311.23834	2.3
315.23541	2.6
317.24765	4.9
325.25290	2.7
335.26025	3.2
344.88907	2.0
355.26404	3.5
381.88876	1.9
407.24429	5.4
409.26038	3.0
417.31784	6.6
419.28320	2.3
421.26077	8.2
423.27567	2.7
435.32629	17.6
445.33508	3.7
453.33759	17.5
467.35468	2.3
471.34598	10.2
473.34958	2.6
491.37061	5.6
501.35712	16.2
509.36563	7.0
517.38702	2.7
519.36810	57.7
519.44116	3.4
520.37152	3.5
527.37360	62.8
528.37518	3.1
529.38855	2.9
545.38403	74.0
546.38898	5.5
559.40015	26.4
560.40320	2.7
577.41083	68.4
577.50128	3.7
578.41266	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	578.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05513	4.6
57.03432	3.1
59.03783	1.2
63.38352	1.2
65.03945	1.2
67.05504	5.4
69.03428	17.2
69.07067	5.0
69.20552	5.9
71.04995	3.9
79.05498	10.5
81.03409	8.2
81.07046	6.9
83.01364	1.3
83.04969	4.3
83.08638	2.7
85.02905	6.0
87.04485	1.4
91.05477	9.4
93.07049	9.3
95.04987	6.0
95.08611	5.0
96.54855	1.3
97.02894	2.9
97.06544	8.1
97.10168	1.4
99.04467	7.3
103.05450	2.6
105.07030	68.2
107.04962	3.8
107.08587	5.4
109.02903	3.5
109.06522	3.6
109.10145	2.3
111.04456	2.0
115.05417	2.0
117.07000	10.7
119.04962	2.9
119.08588	10.1
121.06513	7.3
121.10165	2.4
123.08091	1.7
125.05986	4.0
125.09653	1.5
127.03913	4.4
128.06172	1.5
129.07007	4.7
130.07770	4.1
131.08574	13.9
133.06488	11.3
133.10117	10.4
135.08038	2.3
135.11690	4.0
141.06964	2.3
143.07025	2.2
143.08578	7.4
144.09390	5.9
145.06474	5.0
145.10124	100.0
146.10458	2.1
147.08032	2.8
147.11737	2.3
151.07553	1.3
153.12833	1.2
154.07751	2.4
155.08524	2.7
157.10156	1.5
158.07297	8.7
159.08112	6.8
159.11696	36.1
161.06010	1.2
161.09639	10.7
163.07516	2.1
163.11162	6.8
164.96690	1.4
169.10164	6.8
171.08037	1.7
171.11642	1.8
172.08878	2.9
173.09630	48.2
181.12326	2.1
187.11186	31.1
189.12755	5.2
191.10548	2.8
197.09567	5.2
201.16359	2.5
205.12241	97.7
206.12550	2.0
209.11783	3.7
215.10675	92.9
216.11026	2.5
227.12888	2.5
233.11736	49.2
242.17511	3.5
251.12819	4.1
283.15405	15.7
309.13428	4.7
312.25653	1.4
319.11771	5.7
331.04529	2.3
337.12790	18.1
355.13800	3.2
363.21509	1.7
381.22678	25.7
395.12030	1.3
481.16766	3.4
499.18201	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	578.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40926	0.6
53.03949	1.8
55.01868	3.6
55.05503	2.5
57.31904	0.6
65.06612	0.7
67.05507	3.4
69.03430	7.0
69.07067	5.1
70.71223	1.5
71.04999	3.2
79.05495	11.3
81.03427	4.7
81.07046	3.4
83.04984	4.0
85.02898	2.7
91.05474	5.8
93.07050	7.8
95.04970	6.0
95.08614	2.6
97.02892	1.9
97.06537	9.4
99.04463	4.6
101.05997	0.7
103.05473	2.1
105.07034	40.6
107.04961	5.3
107.08602	3.2
109.02901	1.9
109.06464	1.7
109.10159	1.0
111.04501	0.9
113.06094	0.7
115.03915	1.0
115.05458	1.8
117.07020	5.8
119.04919	1.1
119.08580	3.6
121.06510	31.9
121.10126	1.4
122.06886	0.7
125.05988	6.2
127.03895	1.7
128.06201	1.2
129.07024	2.5
130.07767	3.4
131.08569	8.7
133.06494	25.4
133.10118	3.1
135.04408	2.1
135.07982	0.9
135.11736	0.8
139.07677	0.7
141.06985	1.4
143.07021	6.6
143.08571	4.4
144.05695	1.0
144.09323	2.1
145.04907	0.7
145.05409	0.9
145.06505	10.4
145.10123	49.3
146.10468	0.9
147.08055	1.6
147.11671	1.7
151.07535	1.5
153.05521	0.9
153.06967	1.1
154.07770	2.3
155.08566	7.4
157.10196	1.0
158.07269	16.6
159.08057	12.5
159.11702	18.0
161.09586	2.3
163.07529	0.8
163.11249	0.9
167.07062	2.2
167.08591	0.8
169.10143	6.0
171.08092	1.9
172.08835	6.4
173.09624	100.0
174.10017	1.8
179.08563	2.8
181.06436	0.9
182.07292	2.4
187.11174	38.9
189.12773	1.1
191.10658	2.1
197.09618	12.4
201.16412	1.5
203.86046	0.7
205.12241	14.9
215.10680	75.2
216.11018	1.4
219.13771	1.0
219.17386	1.1
228.37132	0.7
233.11732	71.5
234.12079	1.9
242.61899	0.7
251.12820	2.3
253.81627	0.7
319.11887	4.2
337.12830	21.9
355.13885	18.7
377.15939	1.1
395.16812	1.2
481.16879	2.1
499.18195	5.0
578.29010	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	578.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
55.05516	22.6
55.38440	3.1
57.03446	14.4
58.36525	2.7
65.03938	4.1
67.05508	64.7
69.07063	17.9
69.35665	11.5
69.36066	6.0
79.05489	43.6
81.07056	58.2
82.07401	3.7
83.04984	6.5
83.08628	10.9
91.05466	18.9
93.07047	65.7
93.07605	5.2
95.04987	6.1
95.08616	68.2
97.06527	7.1
97.10179	4.5
99.04481	5.5
105.07057	18.4
107.04975	5.4
107.08599	31.7
109.10149	17.1
110.09728	3.4
111.08090	3.6
111.80809	3.4
117.07030	11.2
119.08584	17.4
121.06532	5.0
121.10145	19.8
131.08632	7.6
133.10135	6.7
135.11679	47.9
145.10120	33.7
149.13184	4.5
159.11682	3.2
163.11183	53.8
165.12656	3.1
181.12268	4.3
227.12781	52.8
243.10721	3.6
283.15424	39.9
335.25812	100.0
531.75922	4.0
543.36884	51.2
546.39136	4.6
579.38232	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72103	0.5
67.11718	0.5
69.20618	2.9
70.04736	0.5
94.93015	1.3
236.95621	100.0
237.96094	1.0
238.96275	0.7
254.95789	10.2
256.97379	1.6
272.94150	0.7
272.96848	6.6
276.93683	0.6
280.97186	0.6
296.96848	4.5
298.98227	1.5
314.97711	1.2
316.99295	0.8
318.00690	0.5
326.97675	2.7
328.99084	1.2
332.83853	0.6
356.99155	2.3
374.97055	0.5
380.98798	3.6
381.07904	1.1
398.99844	4.3
400.95322	1.2
417.00931	2.7
418.96356	14.7
419.02145	1.1
419.96469	0.6
436.97067	1.2
466.73849	0.5
579.06610	3.6
579.15717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01864	1.1
57.03443	1.7
61.02929	2.5
64.97121	0.3
67.05512	0.4
68.99796	0.9
69.03431	11.0
69.07077	0.6
69.78011	0.3
71.04988	0.9
73.02916	2.1
79.05469	0.4
81.02962	0.5
81.03421	8.2
85.02908	22.4
87.04472	2.9
91.03947	1.4
91.05473	0.4
93.07014	0.5
95.04980	0.6
95.08598	0.5
97.02895	8.2
99.04467	1.7
105.07062	0.4
107.08591	0.7
109.02877	4.7
111.00793	1.1
115.03938	6.2
119.08597	0.5
121.02876	0.8
121.10186	0.4
123.04432	0.4
125.66032	0.3
127.03918	11.2
127.04871	0.6
131.08578	0.4
133.04942	0.8
137.02318	3.2
145.04964	12.0
145.10124	0.7
149.02354	0.5
153.01845	3.3
161.05975	0.6
163.03883	0.6
163.06035	0.7
164.31284	0.3
165.01813	2.5
167.07008	0.4
170.42566	0.3
173.06009	0.5
183.02927	0.7
187.03940	0.5
187.05977	0.4
201.05505	1.4
201.16405	0.6
219.06662	0.4
228.04356	0.3
229.04973	3.6
247.06209	0.5
257.04404	2.4
259.08170	3.7
274.04694	0.4
285.03888	1.3
303.04990	100.0
304.05298	2.1
345.06061	1.1
355.08188	0.5
399.10358	0.4
411.07193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
55.01867	1.1
62.84964	0.5
64.67968	0.5
67.05484	0.9
68.99771	3.9
70.74842	1.1
77.03960	0.8
81.03403	2.4
83.04980	0.6
89.03960	0.6
90.20912	0.5
93.45018	0.5
95.04972	1.1
99.04472	0.8
104.66742	0.6
107.04970	2.3
109.02892	2.9
111.00781	2.1
111.04449	1.9
117.03438	0.7
117.57476	0.6
119.05029	0.6
121.02856	1.2
123.04430	35.8
127.03913	100.0
128.04178	0.8
131.04897	1.3
133.06557	0.7
135.04420	26.6
137.02328	2.7
139.03899	42.7
141.06955	1.3
147.04396	5.2
149.02374	3.4
149.05984	1.0
151.03900	6.6
155.04942	0.7
155.12349	0.6
157.06477	1.1
159.04462	2.8
161.05962	3.3
163.03906	33.0
165.05461	4.5
165.32210	0.5
167.03400	6.4
168.27605	0.6
169.06439	1.0
173.06001	2.6
175.03940	3.4
177.05472	3.3
179.03397	2.2
181.06421	0.8
183.04414	0.8
185.05952	1.1
187.03900	4.6
187.07434	0.7
189.05438	1.4
191.03391	10.2
193.04922	2.7
197.05977	3.4
201.05490	5.4
203.03351	5.8
203.07048	1.8
205.04968	2.1
207.06598	1.4
213.05510	1.0
215.03368	1.1
215.06981	3.1
217.05045	1.1
225.05446	1.5
229.04932	5.1
231.06535	1.4
233.04427	4.9
241.04929	1.4
243.06534	4.9
245.04443	6.1
247.06013	14.4
251.05414	0.8
253.05017	1.4
255.06563	1.1
257.04434	9.6
258.05219	0.9
259.05981	7.0
263.26846	0.6
269.04428	1.9
271.06015	18.8
273.07541	1.0
275.05515	14.5
283.06042	5.6
285.07544	0.8
287.05499	20.7
289.07047	14.9
291.08600	12.2
295.48703	0.7
299.05634	2.8
301.07028	10.9
303.08606	3.2
306.49271	0.6
316.53577	0.7
384.90112	0.6
409.03897	1.2
409.09174	19.9
410.09586	0.8
411.10565	2.1
421.09183	1.2
427.10379	5.9
435.10739	1.3
439.10229	0.7
579.14966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
55.01870	2.0
57.56679	0.6
61.01278	0.7
65.03939	0.7
68.99780	6.5
69.54082	3.3
74.86544	0.7
77.03907	1.1
81.03425	4.0
85.02893	1.0
86.76630	0.9
88.97970	0.8
93.03418	1.0
95.04980	1.5
105.03393	0.9
107.04970	3.7
109.02884	2.6
111.00783	2.4
111.04453	2.7
119.04945	2.4
121.02852	1.6
123.04427	53.1
124.04782	0.9
127.03912	100.0
131.04947	1.8
135.04416	28.2
137.02382	6.0
137.03294	1.4
139.03899	63.0
140.04245	1.1
147.04393	8.0
149.02361	5.3
149.05974	2.2
151.03899	12.0
153.06981	1.1
153.86372	0.7
155.04855	0.8
159.04414	2.5
161.06026	4.1
163.03908	39.1
165.01843	0.9
165.05479	7.4
167.03398	5.4
169.06445	1.3
173.05936	2.8
175.03886	6.2
177.05501	4.4
179.03419	3.1
181.04971	0.8
181.06497	1.6
183.04417	1.3
185.05988	1.4
187.03868	6.1
187.07503	1.3
189.05476	2.8
191.03391	13.6
193.04951	3.1
197.06036	2.7
201.05461	6.0
203.03395	11.6
203.07114	1.8
205.04994	3.0
207.06564	2.2
213.05450	1.5
215.03383	1.0
215.07018	2.1
217.05016	2.5
225.05432	1.4
229.04984	8.8
231.06502	2.5
233.04420	6.8
241.04945	1.7
243.06572	4.4
245.04453	7.6
247.06033	21.6
251.05600	1.9
253.04929	1.0
255.06633	1.8
257.04449	13.6
258.05170	1.3
259.05997	11.5
266.50775	0.8
269.04459	2.9
271.06006	17.3
273.07614	2.1
275.05496	19.8
283.06006	8.8
285.07632	1.1
287.05472	25.9
289.07037	13.0
291.08643	16.6
299.05508	4.8
301.07047	18.2
303.08633	3.6
391.08112	0.8
409.09143	24.4
411.10782	1.7
421.08932	1.3
427.10278	10.8
439.10126	1.2
446.06323	0.8
453.11847	1.1
499.16693	0.8
578.49500	0.9
579.14014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
55.01870	0.9
55.84504	0.5
64.54773	0.4
65.03934	1.1
65.17778	0.5
67.05486	0.7
68.99790	2.6
69.65231	1.9
69.75416	0.5
70.16280	0.5
81.03421	2.6
91.05454	0.6
93.03416	0.8
93.28677	0.5
95.04965	1.4
99.04454	0.9
107.04977	2.6
109.02847	2.7
111.00780	1.6
111.04446	1.9
119.04959	1.2
119.42162	0.5
119.51457	0.5
121.02876	0.8
123.04436	36.6
127.03919	100.0
128.04277	0.9
131.04944	1.4
135.04417	27.5
137.02379	1.7
139.03905	44.8
141.07005	0.6
147.04419	6.1
147.05458	0.7
149.02333	3.0
149.05978	1.3
151.03923	6.7
157.06520	0.6
159.04446	1.7
161.06039	2.9
163.03906	30.5
165.05496	6.2
167.03403	3.3
169.06451	0.7
173.06027	2.1
175.03888	2.0
177.05487	3.4
179.03413	1.7
179.07022	0.6
181.06580	0.6
183.04321	0.8
185.05971	1.0
187.03880	5.3
187.05330	0.6
187.07628	0.6
189.05420	1.3
191.03384	5.5
193.04933	1.4
197.05927	2.8
201.05487	3.7
203.03381	3.8
203.07080	1.5
205.04971	1.9
207.06566	1.8
215.03340	0.8
215.07086	2.2
217.30698	0.5
225.05403	1.1
227.07031	0.7
229.04965	3.8
231.06505	1.4
233.04420	2.5
243.06535	4.5
245.04448	3.3
247.06020	9.1
251.05484	0.8
253.04886	0.7
257.04520	5.3
258.05081	0.7
259.06070	4.0
261.07669	0.9
269.04419	1.4
271.06009	16.4
272.06287	0.9
273.07663	1.5
275.05475	8.6
283.05954	3.2
287.05505	9.5
289.07077	19.7
291.08627	23.5
299.05576	1.5
301.07089	7.5
303.08636	1.6
391.08304	0.6
409.09128	11.8
411.10629	1.3
421.09140	0.7
427.10342	4.2
439.10217	0.7
507.13989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02365	1.0
55.01875	0.6
59.90152	0.5
63.11063	0.4
65.03941	0.6
67.05481	0.6
68.99780	2.5
73.85185	0.5
77.03923	1.5
79.05496	0.6
82.90831	0.5
85.02901	0.8
89.03956	0.6
91.05471	1.2
93.03389	1.1
94.34041	0.5
95.04977	2.3
103.30776	0.5
105.03373	1.3
107.04940	1.9
109.02861	0.8
111.00783	1.9
111.04436	1.4
117.07008	0.5
119.04951	5.6
121.02830	0.6
123.04429	100.0
124.04772	0.8
127.03916	19.0
131.04897	0.9
133.06519	0.6
135.04419	16.2
137.02351	1.6
139.03897	30.6
143.04977	0.9
145.06538	0.7
147.04401	13.5
149.02351	1.9
151.03917	4.1
159.04370	0.9
161.05986	4.4
163.03902	23.0
164.04337	0.6
165.05498	8.9
167.03400	1.7
169.04886	0.5
171.04396	0.7
173.05998	2.4
175.03914	2.8
177.05466	3.0
179.03384	6.6
179.07080	0.7
181.04945	1.9
181.06413	1.0
185.05966	1.7
187.03899	3.2
189.05420	3.7
191.03403	6.0
191.07054	0.8
193.04964	7.4
197.05962	1.3
201.05513	4.7
203.03394	10.9
203.06807	1.1
205.04984	1.1
207.06479	2.7
213.05460	4.2
215.03362	1.3
215.07008	0.8
217.04939	2.9
221.04332	0.7
225.05475	0.8
227.07086	1.3
229.04881	6.7
230.05870	0.6
231.06525	1.9
233.04408	2.2
237.05449	0.9
241.05035	3.1
243.06490	1.4
245.04443	18.3
247.06009	17.3
253.05034	0.8
255.06537	5.7
257.04446	21.7
258.05081	3.0
259.05978	4.0
267.06482	1.1
269.04449	3.5
271.05984	8.9
272.06680	0.7
273.07480	2.5
275.02963	0.4
275.05475	17.1
283.05991	7.6
285.07452	3.6
287.05487	41.9
288.05826	1.3
289.07019	5.1
291.08649	10.8
295.06003	1.5
299.05481	10.0
301.07053	14.9
303.08691	1.8
313.07135	3.5
331.08127	1.0
333.09735	2.0
409.09158	43.7
410.09491	1.9
411.10760	1.2
417.09705	1.0
421.09326	2.2
427.10144	4.5
433.09378	0.8
435.10687	10.6
439.10135	5.3
451.09964	0.7
453.11685	5.6
462.41302	0.6
561.13458	0.7
579.14905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02388	1.1
55.01865	1.3
58.73571	0.8
59.79679	1.0
65.03918	1.2
67.05518	1.0
68.99777	4.4
69.34724	3.1
69.35125	2.3
74.89722	0.9
77.03919	1.2
81.03419	2.5
82.35494	0.8
85.02920	1.0
93.03421	1.7
94.62540	0.8
95.04980	1.9
97.02900	1.0
105.03413	1.8
107.04982	3.6
109.02885	3.6
111.00806	1.7
111.04450	2.5
112.55355	1.1
113.55370	0.8
115.05450	1.0
117.03364	1.1
119.04949	4.0
121.02822	1.3
123.04428	97.5
124.04829	1.1
127.03915	100.0
131.04872	1.4
135.04417	32.0
137.02325	3.3
138.69995	1.0
139.03899	32.5
139.04965	1.6
147.04385	12.2
149.02365	3.8
151.03891	5.2
155.04883	1.1
159.04483	1.5
161.05983	4.9
163.03894	42.6
165.05493	9.7
167.03397	4.7
173.06000	2.9
175.03908	3.1
177.05492	3.9
179.03435	5.0
181.04974	2.3
181.06433	1.3
183.04431	0.9
187.03867	6.7
189.05440	4.1
191.03342	9.9
193.04979	6.2
197.05983	3.1
201.05440	4.9
203.03369	7.8
203.06999	2.1
205.04985	2.8
207.06551	2.9
213.05458	3.3
215.03442	1.6
215.07121	2.4
217.04980	3.3
225.05499	1.5
227.07083	1.1
229.04950	7.2
231.06548	2.9
233.04446	3.0
241.04985	2.4
243.06578	4.6
245.04465	12.6
247.06020	18.1
249.80040	0.9
253.04977	1.8
255.06584	2.6
257.04459	16.1
258.05209	1.7
259.05942	6.4
269.04391	3.2
271.05991	22.9
272.06256	1.1
273.07535	2.3
275.05505	14.2
280.46915	0.9
283.06003	6.0
285.07574	2.7
287.05490	39.9
289.07050	14.2
291.08612	12.8
299.05493	9.7
301.07047	8.5
303.08588	4.8
313.07111	1.2
333.09540	2.2
409.09161	41.2
409.14594	2.0
410.09772	2.1
411.10709	5.8
421.08902	1.8
427.10367	9.1
435.10712	5.2
439.10297	6.4
451.10229	1.0
453.11633	2.9
541.01868	1.0
549.86383	1.0
561.13263	1.7
579.14539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02387	1.1
54.09854	0.6
55.01871	1.8
65.03951	1.0
67.05512	0.9
68.99782	4.4
70.51196	0.8
77.03921	1.7
79.05482	0.8
81.03404	2.4
83.20638	0.6
85.02903	1.0
91.05461	0.8
93.03455	1.0
95.04979	2.4
97.43167	0.6
98.92604	0.6
99.04417	0.7
105.03452	1.2
105.04491	0.6
105.07063	0.7
107.04945	2.5
109.02875	2.4
111.00780	1.9
111.04430	2.0
115.05457	0.7
116.28910	0.6
117.03390	0.5
119.04922	3.8
121.02866	1.7
123.04429	100.0
123.66435	0.6
124.04747	0.9
127.03912	70.1
128.04330	0.6
129.07060	0.6
131.04916	1.0
135.04414	27.0
137.02321	2.6
137.05980	2.1
139.03896	37.6
140.25844	0.7
141.06944	0.8
143.04913	1.0
145.06575	0.7
147.03294	1.1
147.04404	15.8
149.02368	3.2
149.06020	1.4
151.03909	6.5
153.05385	0.7
159.04427	2.8
161.05965	4.0
163.03905	33.5
165.05489	9.2
167.03406	4.6
169.06471	1.7
171.04410	0.6
173.05930	2.8
175.03920	3.4
177.05467	3.5
179.03383	5.4
179.07130	1.0
181.04918	2.1
181.06438	0.9
185.05952	1.4
187.03838	5.7
187.07391	0.7
189.05490	2.9
191.03383	7.4
193.04984	6.2
194.05437	0.6
197.06036	2.8
201.05438	5.8
202.06198	0.6
203.03391	10.8
203.07185	1.1
205.05000	1.9
207.06540	2.2
213.05400	3.0
215.03304	1.3
215.07048	1.7
217.04987	3.3
225.05478	1.9
227.06985	0.7
229.04990	7.3
231.06488	2.4
233.04404	2.6
241.05006	2.7
243.06514	4.5
245.04437	15.1
247.06017	16.2
253.05121	0.9
255.06372	3.1
257.04440	14.8
258.05127	2.3
259.05978	6.0
261.07556	0.8
269.04340	2.8
271.06021	18.7
272.06247	0.5
273.07504	1.7
275.05490	13.7
283.05997	6.8
285.07571	2.5
287.05490	38.0
289.07025	11.8
290.07193	0.8
291.08630	13.0
295.05984	0.7
299.05496	10.9
301.07062	10.8
303.08536	2.8
308.01520	0.6
311.05563	1.1
313.07120	2.0
315.08545	1.0
331.08215	1.0
333.09708	1.8
342.39767	0.6
391.08038	0.7
409.09167	37.3
410.09567	0.9
411.10773	3.8
421.09012	2.7
427.10281	7.2
433.09222	0.7
435.10675	7.4
439.10220	6.5
451.09940	1.3
453.11713	2.3
561.14355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17837	0.9
53.72960	0.8
55.01870	2.0
65.03921	1.0
69.12755	2.7
69.13168	2.9
71.04990	0.9
79.05488	6.8
90.04742	0.9
91.05497	2.6
95.04969	1.2
98.23434	2.1
103.05473	9.8
105.07029	70.0
106.07360	1.1
115.05463	15.5
118.04111	4.6
119.04941	2.4
131.04901	5.5
133.06490	58.5
137.06017	1.7
143.04982	1.5
143.06018	7.2
149.05997	1.0
161.05977	100.0
163.07504	1.7
184.04941	5.0
185.05772	2.0
189.47701	0.9
190.02393	1.5
191.07018	12.4
193.08598	51.2
215.06783	26.2
219.06267	3.2
219.08224	1.0
254.43097	1.0
274.97507	1.5
338.96667	1.0
351.11798	1.5
411.14124	30.9
412.14557	1.1
434.21716	2.3
435.21695	1.4
578.33258	1.5
579.18622	10.2
579.33514	2.6
580.19098	4.3
598.66028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.41023	0.4
57.30663	0.6
61.43238	0.5
69.19256	0.6
71.34943	0.8
79.05490	5.9
88.44205	0.6
90.04670	0.7
91.05480	1.1
95.04952	2.1
103.05466	8.2
105.04493	1.0
105.07027	61.5
106.07368	0.9
107.04945	0.8
115.05450	12.9
118.04138	4.9
131.04916	2.6
132.05640	0.8
133.06483	57.9
134.06779	1.0
143.04892	1.4
143.06004	6.7
146.03403	0.6
149.05960	1.6
161.05971	100.0
162.06378	1.9
163.07474	1.2
184.04961	6.9
185.05756	2.9
190.02301	0.7
191.07031	6.9
193.08594	51.7
215.06787	27.2
215.08926	0.7
219.06339	4.3
259.83905	0.5
274.97586	0.7
338.96713	0.8
411.14145	43.1
412.14474	1.9
579.10022	1.0
579.18298	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	579.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19797	0.6
69.03434	1.9
70.05305	1.6
70.05638	0.7
71.05002	0.7
79.05509	1.4
80.05019	2.8
82.06565	1.1
87.62602	0.6
91.05493	2.7
93.07022	1.4
98.22803	0.7
99.04465	0.8
103.05435	3.0
104.05002	0.7
105.07047	2.2
107.04957	1.7
108.08152	0.9
115.05447	0.7
117.07022	1.1
118.06551	0.9
119.04915	0.6
120.08129	2.1
128.06219	1.5
129.07001	5.8
130.06566	1.5
131.04973	0.7
132.08099	3.8
134.09651	2.5
136.07661	0.7
137.06004	1.1
142.19728	0.8
143.08582	0.8
144.08080	0.8
146.09642	5.7
149.10789	0.9
156.08113	0.7
158.09709	1.9
160.11278	1.1
161.12047	0.8
162.09117	0.8
162.12817	2.1
164.10716	0.6
170.09618	3.1
172.11221	2.7
177.13887	0.8
182.11748	0.9
184.11229	4.1
186.12787	1.5
188.10707	6.0
194.11819	1.1
203.11890	1.2
204.12576	1.0
208.13438	1.0
212.14413	2.1
214.12276	0.8
214.15858	1.2
218.11893	1.3
220.13344	1.5
231.12625	2.5
232.13356	5.5
233.14224	0.8
234.14827	0.8
240.13882	2.2
244.13426	1.2
246.14973	4.0
247.14409	2.1
256.13403	0.9
258.14917	5.7
260.16464	3.4
261.12299	1.1
261.16129	1.8
273.15936	1.4
274.14566	0.9
275.17572	3.5
276.16095	1.8
286.14359	1.0
287.17728	1.3
288.15042	1.1
301.15674	0.9
303.17047	18.0
304.17505	0.8
361.17636	1.7
366.04584	0.6
377.22000	1.0
379.24094	0.8
396.20294	1.0
405.21667	1.5
414.19168	3.0
416.21368	0.7
423.22800	0.8
437.20792	1.9
451.22284	49.7
452.22623	2.6
517.27106	0.8
561.39948	0.7
579.27039	100.0
580.27435	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	579.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05513	13.0
57.03221	0.7
57.03445	7.2
57.07074	5.1
65.03944	1.2
67.05506	48.4
69.07065	11.6
69.88831	2.1
71.05003	1.4
71.08628	2.4
77.01461	0.7
79.05496	13.5
81.03418	7.6
81.07058	50.1
83.04996	1.0
83.08621	7.7
85.02901	0.8
85.06571	1.0
85.10207	1.4
91.05493	10.2
93.07051	13.5
95.04939	1.7
95.08611	39.5
97.06533	3.2
97.10157	4.4
98.98470	100.0
99.04457	1.8
99.08070	1.9
99.64538	0.6
105.07028	5.9
107.08604	8.1
109.02872	5.9
109.10162	16.9
111.08086	1.8
113.09710	1.1
116.99510	1.5
119.08609	5.5
121.10146	10.0
123.07995	0.9
123.11708	7.8
125.09682	0.8
129.61859	0.7
133.10123	7.1
135.11671	5.0
137.09618	1.5
137.13266	5.3
141.12769	1.0
145.54961	0.7
147.11674	3.8
149.02293	0.9
149.13310	4.8
151.11198	0.8
151.14824	2.7
155.01042	95.0
161.13263	4.8
163.14845	4.0
165.16397	2.4
173.02115	0.9
175.14835	3.2
177.16473	0.8
179.14336	1.0
189.16396	1.5
191.07007	0.8
243.02647	3.0
245.22643	14.3
263.23721	25.0
299.05447	1.9
317.06354	11.4
319.26239	2.1
337.27371	62.7
338.27585	1.8
360.23151	0.8
407.27695	0.9
425.28827	3.9
460.50366	0.7
561.27820	3.0
572.91461	0.7
579.34546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05510	11.8
57.03429	7.9
57.07064	4.4
60.27782	0.8
63.70842	1.1
65.03937	1.8
67.05502	48.3
69.03434	1.5
69.07061	12.2
69.23071	5.3
71.04988	1.8
71.08611	2.1
73.05789	0.8
79.05492	14.5
81.03423	10.2
81.07054	51.6
83.08607	10.2
85.06535	1.7
85.10162	1.1
86.37555	0.8
91.05486	12.3
93.07041	15.7
95.04963	2.5
95.08602	45.4
97.06551	3.8
97.10167	4.8
98.23425	2.4
98.98464	96.6
99.08077	2.1
105.04525	1.2
105.07042	9.0
107.08589	9.9
109.02888	5.8
109.06519	1.5
109.10150	17.1
111.08092	2.8
113.09680	1.1
116.99477	2.2
119.08579	5.6
121.10159	10.6
123.11707	7.5
127.03870	1.2
133.10147	7.9
135.11679	5.7
137.13251	4.7
139.11156	1.4
147.11700	3.4
149.13246	5.3
151.14816	2.3
155.01035	100.0
155.14371	1.0
161.13257	3.7
163.14822	3.4
165.16469	1.7
175.14777	4.8
189.16389	1.2
225.01646	1.1
243.02736	3.1
245.22699	12.1
263.20895	1.4
263.23697	27.6
299.05310	1.7
317.06299	15.4
319.26196	1.9
337.27359	75.4
338.27737	2.2
390.99570	1.0
407.27954	1.9
425.28864	4.4
426.14063	1.5
463.11942	1.1
532.25934	1.1
561.27875	4.0
579.22913	5.9
579.33282	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	579.3893
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
57.03424	1.1
62.39084	0.8
63.02343	0.9
69.11386	5.8
79.05505	0.9
89.03934	6.7
92.39304	0.9
95.21697	1.0
98.22632	1.9
104.10720	1.0
104.33109	1.1
117.03383	22.2
118.03090	0.9
134.03702	1.0
135.04439	1.2
135.39500	1.0
140.83658	0.8
145.02847	50.4
149.05975	7.4
158.05977	1.2
159.84900	1.3
177.05473	100.0
178.05800	1.2
184.07315	1.5
186.05504	2.4
192.29124	0.8
211.45941	1.1
212.01027	1.1
228.80336	1.0
251.08966	1.0
351.19553	1.0
548.39807	0.9
561.37946	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	580.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.05498	2.4
57.72036	1.9
66.00781	1.9
67.05496	3.9
69.03434	4.6
69.07074	2.4
70.06593	2.8
73.51225	1.7
75.39692	1.7
79.05492	4.7
81.03413	2.4
81.07063	3.9
85.02898	14.1
86.09711	4.1
91.05482	5.5
91.62451	1.7
93.07041	4.9
94.04165	2.5
95.08603	4.7
97.02886	5.0
103.05466	2.8
105.03373	2.1
105.07036	22.7
107.04942	3.1
107.08558	2.3
109.02885	2.1
109.10169	3.5
114.09120	3.1
115.05455	6.1
119.08593	6.4
120.08119	20.8
121.10139	2.8
122.03619	4.2
127.03900	5.9
131.04927	3.1
133.06520	12.0
133.10106	4.2
137.05986	55.4
138.06311	1.9
145.04939	2.5
145.10095	2.4
146.03647	5.8
147.04404	2.1
147.11711	14.0
149.05971	2.4
161.05986	99.5
162.06398	2.5
175.07579	1.9
177.03459	1.7
184.05394	2.7
191.08575	3.4
191.10654	4.5
194.07205	1.8
195.83542	1.6
199.07520	17.3
202.07724	8.3
203.08562	19.8
203.17960	23.1
204.09138	2.5
205.06487	2.4
207.07988	2.2
209.09709	2.2
209.11676	2.7
219.08026	7.5
220.08838	8.6
221.09596	2.6
221.19000	3.6
222.06787	2.5
227.12593	3.8
231.08047	30.3
232.08817	8.9
233.09383	2.1
234.06772	5.0
235.11256	5.0
237.09192	5.5
247.07491	8.6
248.08366	18.7
249.09052	5.6
258.06793	2.5
259.07571	31.7
260.08344	22.3
262.09650	2.2
263.07700	3.1
263.10620	19.2
265.08600	7.4
266.09454	1.8
275.06915	3.1
276.07816	16.3
276.93942	1.7
277.08643	3.7
278.09756	2.1
279.09976	2.9
281.11746	4.0
291.10150	97.7
292.10718	7.5
308.10556	2.8
309.11221	57.7
310.11566	2.4
311.12729	2.8
321.82123	1.8
323.12784	100.0
333.06012	2.5
341.13837	73.2
342.14056	1.9
580.31293	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	580.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01882	1.2
55.05504	1.1
57.03430	2.8
61.02918	1.2
64.10860	0.9
68.99809	0.9
69.03432	18.9
70.06580	1.4
71.04991	1.8
71.45861	1.3
73.02917	3.7
81.03403	10.6
81.07039	0.9
85.02423	1.2
85.02913	19.1
87.00832	6.7
87.04483	0.8
89.03024	0.9
91.05478	2.1
97.02911	6.2
99.04487	6.2
100.11253	1.6
101.02407	0.8
103.03954	1.8
105.01863	4.7
107.59882	0.8
109.02883	11.0
115.41663	1.0
117.01914	1.0
118.52346	0.7
121.06520	3.3
127.03919	17.6
129.01807	2.5
131.04851	1.2
137.05978	1.8
141.07013	0.8
145.04965	5.7
147.02861	1.6
147.08063	1.1
159.02922	3.1
167.07135	1.1
169.10075	1.1
169.18973	0.8
179.08527	1.1
181.10117	1.6
185.09647	1.4
189.03960	1.8
193.10168	0.9
194.10934	0.9
195.07983	2.1
196.08813	1.2
196.12549	2.0
197.09615	2.0
206.10941	1.8
207.11696	2.4
209.09624	5.2
210.10498	4.2
211.11165	1.9
211.14909	1.5
219.08157	0.9
221.09637	1.6
221.13313	2.1
222.10373	2.7
223.11145	2.8
224.11926	4.4
225.09134	1.2
225.12729	5.0
231.05060	4.4
234.14880	0.9
235.07411	1.0
235.11122	4.0
236.08430	0.8
236.11961	1.8
237.09134	4.5
237.12796	2.7
238.09895	3.0
238.13350	0.9
239.10628	7.3
239.14296	11.2
243.13744	1.1
249.09267	1.6
249.12708	1.4
250.09923	3.8
250.13666	1.7
251.10674	10.7
252.07684	1.0
252.11465	20.1
253.12253	5.4
254.12997	2.1
255.13878	1.0
264.11417	3.2
265.08734	2.7
265.12234	23.2
266.13016	53.4
267.10178	24.8
267.13773	27.3
279.10217	1.7
280.10962	6.3
280.14545	3.3
281.11746	13.4
282.12503	75.7
283.13254	17.8
295.13339	11.8
296.13846	1.7
297.14853	93.9
298.15179	3.6
307.13458	1.5
321.14935	3.0
324.13626	1.0
332.18488	2.4
339.15967	6.8
363.15985	1.5
405.16641	0.9
493.26645	0.9
501.21017	1.3
513.17218	1.5
524.95465	0.8
537.40814	1.0
545.20190	100.0
546.20587	6.3
553.57135	0.9
580.19727	4.4
580.34503	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	580.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45210	0.6
54.88318	0.6
69.03371	0.7
70.06594	0.8
70.88927	0.6
71.05029	0.6
84.08129	1.0
91.05461	3.2
100.11287	0.7
103.05467	2.2
105.18997	0.6
107.04945	1.1
115.05461	2.9
117.07011	5.3
121.06505	10.2
127.55700	0.6
131.04951	4.5
133.06476	2.3
134.07233	0.9
137.05952	2.4
145.06479	2.7
146.07271	29.2
147.04483	1.0
147.08044	3.2
149.05957	1.2
149.09688	1.3
151.03908	2.0
162.06757	4.7
165.05508	0.9
177.09111	100.0
178.09430	1.6
201.09087	1.3
229.08580	2.7
272.10608	0.7
297.11194	2.4
301.01648	0.7
325.14548	1.0
332.28116	1.2
353.13815	9.6
537.39716	0.7
580.32910	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	580.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72188	0.3
55.05497	0.5
57.03433	0.4
67.05502	3.5
68.05020	0.7
69.03432	12.4
70.06590	1.3
71.04993	0.5
71.46786	0.4
79.05492	2.3
80.05024	0.6
81.03407	0.6
81.07057	2.6
82.06583	1.7
83.01337	0.5
84.08148	2.0
85.02917	2.2
91.05480	1.7
93.07039	0.9
94.06582	1.0
95.04980	0.7
95.08618	1.4
96.08125	3.5
97.02903	0.7
99.04485	1.2
105.07037	2.0
105.07691	0.4
107.04965	0.6
107.08610	1.3
108.08115	1.2
109.06530	1.2
109.10167	1.1
110.09686	6.1
117.07034	0.7
119.08574	1.1
120.08127	0.8
121.06538	0.9
122.09651	0.6
123.08089	1.4
123.10490	0.5
124.11230	4.0
126.09117	0.5
127.03921	1.1
131.08580	1.1
133.10156	0.5
134.09685	1.8
135.08072	1.6
136.11252	0.7
137.09631	0.8
138.09149	10.1
138.10155	0.8
138.12798	0.8
141.05486	0.5
143.08588	0.9
145.10156	1.1
146.09698	0.8
147.11703	0.5
148.11180	0.5
149.06009	1.0
150.09186	0.6
151.03946	0.6
151.07588	0.7
152.10719	5.7
153.05476	0.8
155.03415	0.8
155.07024	0.7
159.08081	0.9
161.05969	0.4
161.09634	1.1
162.09178	0.5
162.12827	0.5
163.07555	0.6
164.10756	0.5
165.05502	0.7
165.09090	0.5
166.12305	0.7
167.07100	0.9
171.08069	0.8
172.11238	0.8
173.09695	0.6
174.12830	0.4
175.14819	0.4
179.07066	1.5
179.10776	0.4
181.08624	1.7
183.06599	0.9
184.13374	1.1
186.12627	0.3
187.07587	0.5
189.09184	1.3
190.12434	0.5
191.07076	0.5
192.13832	0.6
198.12886	0.6
199.07466	0.4
199.13585	0.8
202.12343	0.4
203.10808	0.6
203.17914	0.5
207.06627	1.1
208.60300	0.4
216.13853	0.5
217.08653	0.7
221.11801	0.4
232.07452	0.5
236.16594	0.7
247.09729	5.6
248.13129	0.4
249.11221	8.4
258.14951	0.4
276.12286	2.4
284.12903	0.8
302.13965	0.8
314.17542	0.5
342.17075	1.7
346.18738	1.5
357.19720	0.7
360.17789	0.5
372.21732	1.2
400.21149	4.0
406.20609	0.4
418.22302	12.5
419.22519	0.5
460.23337	3.2
471.57883	0.5
490.24271	1.1
502.24219	0.5
520.25336	3.1
522.23468	0.5
544.25421	0.9
562.26544	3.7
580.27539	100.0
581.28040	4.7
605.57336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34994	1.0
53.03940	2.4
55.01865	1.1
55.05507	16.6
55.05750	1.5
57.07067	1.4
59.76868	0.9
61.02920	1.5
65.03942	2.0
67.05504	69.7
69.03419	4.6
69.07066	19.3
69.77502	0.9
70.04675	2.1
71.04980	6.3
79.05490	23.1
81.03407	2.5
81.07055	100.0
83.04996	2.6
83.08614	14.8
85.02898	11.0
85.06538	5.7
87.00839	5.0
91.05479	12.0
93.07043	24.4
95.04982	2.1
95.08603	94.9
96.08927	1.2
97.02888	3.1
97.06521	6.4
97.10172	12.3
99.04473	2.6
99.08092	4.1
100.11246	1.6
103.05510	0.9
105.01859	10.7
105.07018	11.5
107.08588	16.3
109.02886	4.2
109.06518	1.3
109.10155	43.7
111.08051	4.7
111.11713	3.4
117.06998	2.4
119.08578	13.7
121.10143	21.7
123.08076	3.1
123.11713	23.7
125.09634	1.9
126.11029	1.0
127.03914	9.5
127.07565	1.1
131.08571	7.1
133.10107	10.4
135.08046	2.3
135.11691	13.2
137.09605	2.9
137.13255	13.0
139.11142	2.0
145.05003	2.7
145.10068	4.6
147.11653	13.4
147.23651	1.0
149.09622	2.0
149.13245	5.7
151.03842	1.1
151.11192	3.9
151.14824	3.9
159.02965	1.3
159.11705	2.1
161.13251	13.6
163.11226	1.3
163.14833	2.7
165.12720	9.5
165.16350	1.5
169.12250	1.4
173.13237	2.3
175.14836	2.7
177.12857	1.3
177.16414	2.3
179.14320	10.6
181.12302	1.8
183.13818	3.1
187.14801	1.9
191.14264	1.7
192.90868	0.9
193.15884	1.0
195.13774	2.7
197.15388	2.6
201.16422	1.6
205.15904	1.7
207.93335	0.9
209.15309	2.6
210.14967	1.1
214.15999	0.9
223.16861	5.2
231.04980	1.7
243.20999	10.9
249.05998	2.2
261.22137	20.9
279.23175	73.4
280.23486	2.5
297.24329	7.4
343.17712	1.1
351.23145	1.0
369.24103	1.9
387.20740	1.1
387.25049	4.7
405.26300	2.3
473.24954	1.4
491.26233	3.2
527.28766	1.2
580.19348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01871	9.4
55.05511	18.7
57.03438	29.9
61.02924	11.4
65.03941	6.7
67.05502	59.6
68.03218	2.6
69.03423	22.1
69.07069	59.1
70.06592	3.2
71.04988	32.3
73.02898	12.9
79.05491	61.5
81.03414	21.1
81.07056	66.6
83.04983	17.4
83.08601	10.2
85.02914	19.3
85.06551	8.2
91.03953	5.1
91.05479	40.1
93.07049	54.6
95.04961	21.0
95.08598	28.2
97.02904	9.3
97.06532	100.0
97.10189	8.5
99.04475	5.0
99.08098	10.3
105.07024	33.8
107.04977	15.9
107.08591	36.2
109.02908	6.4
109.06519	25.4
109.10145	13.2
111.08093	13.2
111.97887	2.6
113.05982	4.6
115.07571	39.7
117.07029	20.3
119.08591	28.6
121.06519	13.5
121.10149	20.6
123.08095	6.8
123.11755	5.5
125.09643	8.8
127.03932	11.4
127.07583	4.1
128.06218	3.6
129.05502	4.3
129.07008	9.0
130.07817	3.3
131.07042	5.2
131.08572	19.6
133.06482	5.8
133.10144	25.8
135.08058	18.6
135.11731	11.1
137.09598	4.3
141.07008	6.1
143.08540	7.1
145.04996	4.6
145.10123	14.8
147.08057	10.1
147.11696	7.5
149.09628	7.0
149.13252	16.0
151.11186	3.1
153.12598	2.9
155.08553	3.5
157.10124	8.0
159.08113	4.0
159.11687	16.7
159.12810	2.6
160.07605	3.0
161.09607	6.1
161.13179	5.4
163.11179	6.6
171.11737	5.2
173.04515	7.5
173.09627	2.7
173.13176	3.0
175.11189	4.2
177.12744	15.6
185.13332	6.7
187.11127	5.0
193.12212	4.8
195.13805	8.7
213.14853	4.8
215.14293	3.9
217.15938	16.7
228.17508	13.4
233.15300	17.1
245.19109	3.2
249.14975	3.9
253.14435	3.2
255.15930	8.1
269.17435	61.4
271.06018	6.1
272.06332	4.2
273.18512	35.8
281.41708	3.0
285.17130	3.4
291.19586	27.1
295.18869	2.7
297.17020	12.0
307.19031	8.4
314.21097	2.6
325.20071	7.1
329.53171	2.6
336.77560	2.6
347.22198	18.1
365.23160	56.1
365.27545	3.9
383.24271	26.8
414.19098	9.8
562.22888	3.8
580.25287	14.4
580.34027	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77349	1.6
55.01855	3.0
55.05517	14.1
57.03442	2.6
57.07082	3.2
59.05038	1.8
65.03928	3.5
67.05510	35.8
69.03423	3.7
69.07070	18.0
69.50224	5.5
73.23644	1.8
79.05489	20.1
81.07058	65.7
81.24362	1.9
82.58193	1.8
83.04990	3.2
83.08625	10.7
85.02898	12.0
85.06548	17.8
88.68655	1.7
91.05483	32.2
93.07047	86.2
95.04955	10.2
95.08604	66.3
95.09212	4.0
97.06499	3.7
97.10169	4.7
98.23428	3.9
99.04459	2.4
105.04530	2.3
105.07028	72.9
107.08592	63.5
107.09337	1.9
107.92171	2.1
109.06532	2.5
109.10156	100.0
111.08089	14.7
119.08578	62.6
121.10154	41.9
123.11702	15.5
125.09648	4.5
127.03913	3.8
131.08530	2.5
132.07559	1.6
133.10135	34.9
135.11694	48.2
139.11172	2.3
145.04962	8.2
145.10165	4.1
147.11687	70.1
149.13243	3.0
159.11685	3.4
161.13261	23.3
163.06046	4.3
163.11194	4.2
163.14812	3.8
165.12796	5.1
174.35632	1.6
175.14830	11.5
176.64494	1.7
177.16415	3.3
203.17958	91.3
221.19019	9.8
569.28650	1.9
587.25940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84909	1.5
52.11974	1.4
53.03955	1.8
55.01879	2.1
55.05512	12.3
57.03442	1.8
57.07079	2.7
57.99660	1.4
65.03931	2.2
67.05507	25.7
69.03419	5.3
69.07070	20.0
69.21513	10.0
71.05002	2.2
71.52784	1.4
79.05490	14.6
81.03400	2.8
81.07062	54.6
83.04953	1.5
83.08616	6.9
85.02906	18.0
85.06557	2.5
91.05477	20.1
93.06458	2.3
93.07047	42.6
95.04966	4.7
95.08605	65.3
96.08942	1.5
97.02887	5.4
97.06513	2.9
97.10177	3.5
98.22691	3.4
99.04475	2.3
99.08121	2.9
105.07030	60.0
107.08596	54.0
107.09348	2.2
109.02885	2.5
109.06534	2.8
109.10157	53.8
111.08073	3.3
117.07049	2.3
119.08574	47.3
121.10142	29.7
123.08098	1.9
123.11692	15.4
125.09637	8.6
127.03918	6.5
133.10121	32.2
135.10861	2.1
135.11702	16.9
137.13287	1.6
139.11182	3.1
145.04962	8.1
145.10136	3.4
147.11687	52.8
149.13228	2.4
151.11171	4.3
159.11720	2.5
161.13252	24.1
163.05991	6.5
163.14821	10.9
165.12744	7.3
175.14838	12.9
177.16380	2.5
203.17947	100.0
204.18295	1.8
221.18982	11.6
228.17500	2.4
266.56158	1.7
342.39441	1.6
353.89792	1.8
457.83456	1.8
533.05328	1.8
580.25336	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37587	1.8
55.01861	4.8
55.05510	21.2
57.03191	1.6
57.03442	10.7
67.05507	27.3
69.03425	3.9
69.07060	8.2
69.19552	7.6
71.01376	1.7
71.04975	4.0
78.50746	1.6
79.05500	21.7
81.03416	56.4
81.07063	25.3
83.04971	8.4
83.08621	18.9
85.02918	2.2
91.05485	21.1
93.07049	20.8
95.04961	27.1
95.08614	11.0
97.02917	2.3
97.06524	7.2
97.10161	17.3
105.07044	17.3
107.04943	15.8
107.08600	16.8
109.06537	17.7
109.10149	9.0
111.08060	4.1
117.07039	4.4
119.08590	15.0
121.06512	15.5
121.10155	11.1
123.08072	5.6
125.09638	16.5
129.06990	6.7
131.04916	2.9
131.08575	12.4
133.06493	4.6
133.10118	6.7
135.08040	6.0
135.11702	2.6
139.11182	3.4
143.08563	3.7
145.06520	5.5
145.10101	5.1
147.04387	2.0
147.08038	7.1
147.11674	7.4
149.09642	5.5
153.09099	2.9
157.10123	7.1
159.08055	4.1
161.05984	2.7
163.11166	3.5
165.12709	2.1
167.10637	1.8
169.10078	2.2
171.11623	2.0
173.13286	3.6
175.11177	5.3
185.09540	1.7
189.11243	4.4
191.14281	4.3
193.12238	18.2
195.11647	2.3
199.11095	3.0
201.12776	2.5
201.45271	1.6
211.13181	2.4
215.14362	3.5
219.13763	11.9
227.12634	2.5
233.15396	2.9
259.15436	5.8
267.15921	49.0
273.14847	5.8
293.17462	7.8
297.24234	2.4
339.23419	2.2
349.21545	5.5
367.22696	19.1
367.31256	1.7
385.23740	24.8
403.24808	11.8
441.26315	9.1
458.56931	1.8
459.27411	100.0
460.27670	7.1
477.28482	86.7
478.28851	7.2
491.30264	9.6
495.29373	7.4
509.31113	4.7
580.23541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.5
57.03447	7.0
57.07071	6.6
67.05508	45.5
69.07074	24.9
69.73860	6.7
69.74216	5.8
70.02376	2.6
71.23004	2.6
73.57465	2.6
79.05501	24.2
81.03429	4.4
81.07063	49.7
83.08627	17.8
91.05469	13.5
93.07049	34.1
95.04957	6.6
95.08611	59.6
97.02949	3.9
97.06528	4.0
97.10184	6.6
105.07050	9.4
107.04929	3.9
107.08622	23.6
109.10177	12.0
111.04414	2.7
111.08096	3.3
117.07029	4.4
119.08595	12.2
121.10144	11.2
123.11731	4.8
125.09602	2.8
131.08540	5.3
133.10161	6.9
135.11700	32.9
145.10144	17.9
147.11719	4.1
151.78789	2.8
163.11208	41.8
181.12286	6.8
227.12799	54.1
251.12758	2.6
283.15448	35.3
324.17923	4.2
330.93860	3.0
337.27374	100.0
338.27814	4.3
356.49026	3.4
386.66733	3.1
445.46841	3.4
512.67340	3.3
530.38794	8.2
545.38434	55.1
548.40601	4.3
562.37323	6.1
563.38849	5.0
580.38873	20.3
581.40167	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	580.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	4.0
53.50106	3.5
53.91640	3.9
55.05519	21.1
57.03439	19.8
57.07079	4.7
57.98369	3.5
65.48076	3.6
67.05507	77.0
69.03437	7.0
69.07067	17.4
71.05015	4.0
79.05499	59.5
81.03416	60.1
81.07060	68.0
83.04984	13.7
83.08607	22.0
84.79027	4.5
85.02475	3.7
85.02898	24.4
91.05481	45.5
93.07048	49.4
95.04974	31.6
95.08604	51.6
97.06507	6.8
97.10206	4.7
105.07024	30.4
106.15028	3.4
107.04961	6.2
107.08591	24.7
109.06516	5.9
109.10152	14.2
111.08086	12.4
117.07033	5.9
119.08588	31.1
120.32428	4.3
121.10137	25.0
123.11729	8.6
129.07027	9.1
131.08572	17.1
133.10147	18.8
135.11670	11.7
145.10286	5.3
147.11671	16.4
149.09624	5.9
157.10150	12.4
159.11606	5.0
175.11200	18.7
193.12234	64.2
211.13298	90.2
261.22156	8.1
267.15985	14.6
278.20285	4.1
285.16992	79.0
328.08011	4.9
335.25830	100.0
413.19479	3.9
483.02640	4.2
527.36945	8.4
545.38391	67.9
580.39032	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98370	0.4
55.01878	1.0
58.96828	0.4
61.09424	0.4
65.03936	1.4
67.05486	1.3
68.99788	6.4
69.03421	0.7
69.11330	2.9
70.06593	0.6
71.01355	3.1
79.05488	5.0
81.07037	0.6
84.04471	0.6
89.03910	1.0
91.04947	0.6
91.05482	10.3
93.03412	1.2
95.01350	0.4
95.04966	3.3
96.44930	0.4
101.83807	0.4
103.05437	0.7
105.03355	0.4
105.04540	0.6
107.04251	0.7
107.04952	10.6
109.02890	0.4
109.06544	0.6
110.03674	0.5
111.04443	1.3
112.10803	0.4
115.05454	0.5
117.03363	3.2
118.04174	1.3
119.04939	3.5
120.02075	1.1
120.08098	3.2
120.29676	0.4
121.02859	2.6
121.06508	3.1
123.04422	1.8
124.05238	1.3
125.05980	3.6
131.04953	0.4
133.02840	1.4
133.06506	1.2
134.03632	2.0
135.04413	11.4
136.05162	0.6
137.05981	0.9
137.49789	0.3
139.07539	3.1
145.02788	1.9
146.03589	1.3
147.04399	3.0
149.06006	2.6
150.06764	1.7
151.03905	45.6
151.04964	2.4
152.04494	0.7
153.05455	4.2
161.05986	1.2
162.03114	1.2
163.03906	19.3
164.04625	0.7
165.05473	1.0
167.07040	4.1
167.08325	0.6
173.05917	0.6
175.25403	0.4
177.05449	4.3
178.06252	10.5
179.06963	1.2
180.04184	5.8
181.04877	2.3
195.06526	20.3
196.07315	7.0
196.09009	0.6
201.05363	0.6
203.07060	0.8
205.04974	0.6
207.06534	0.8
208.03632	2.2
219.06523	7.5
223.06004	100.0
224.06613	2.0
225.07417	0.5
234.48952	0.4
247.05972	0.9
259.05930	0.6
267.08731	0.9
268.14484	0.5
277.07172	0.7
287.05359	0.6
327.08554	0.9
336.10342	0.4
357.10065	0.4
369.09891	0.5
387.10519	2.1
401.12167	1.9
418.22256	0.6
419.13373	5.8
419.21957	0.9
431.13123	0.6
485.14813	0.4
497.14542	0.5
554.41455	0.4
581.27466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77864	2.9
55.01854	4.7
57.03431	7.2
60.25198	3.0
62.51704	3.1
65.03934	4.3
65.77615	2.6
65.84698	2.6
68.99795	2.8
71.46389	3.3
74.19299	2.8
81.03416	5.2
85.02921	16.4
91.05472	6.7
93.03393	12.7
94.51635	3.1
95.01364	4.0
95.04980	6.1
97.02874	7.3
103.03951	5.8
103.05473	12.4
105.03394	4.4
105.07038	6.0
107.04964	17.1
109.02859	10.7
111.04456	3.9
119.04961	5.5
121.02835	19.8
121.06492	3.5
123.04420	7.0
128.10825	3.0
131.04924	33.6
133.06557	6.0
135.04405	14.7
137.06003	3.9
139.03923	5.5
143.04871	4.4
145.06520	4.0
147.04422	5.5
149.02361	6.2
151.03932	7.0
159.04440	7.0
161.02362	3.4
161.05977	12.0
163.03882	5.4
165.01794	7.0
171.04366	4.3
173.02370	4.7
173.05981	7.6
175.00278	6.1
175.03917	5.8
177.01941	17.1
177.05487	9.0
185.06096	3.8
187.03905	11.8
189.01823	40.4
189.05388	4.9
191.03404	19.1
195.02892	37.3
195.04550	5.0
199.03987	3.3
201.01796	6.6
201.05426	11.5
203.03358	11.2
205.01358	6.3
205.05020	5.0
207.02887	46.4
213.05481	4.2
215.03369	16.5
217.04909	6.2
219.02884	100.0
221.04448	7.1
223.02158	2.9
225.03911	11.7
227.03391	7.2
229.04875	16.1
231.02879	43.0
233.04367	14.0
237.03937	12.8
239.03522	3.5
241.05061	3.6
243.02861	40.7
243.06622	5.9
245.04506	10.8
249.03979	14.6
255.02936	14.3
257.04456	17.8
259.02371	3.3
261.03940	76.2
267.02982	3.8
269.04410	7.6
271.02435	4.6
271.05920	5.7
273.03937	46.9
281.04858	3.9
281.08084	22.4
285.03909	45.9
291.04865	15.5
293.08133	26.7
297.03885	11.0
299.05298	8.2
303.04993	18.1
305.08368	5.3
309.03833	10.7
311.09076	30.8
315.05029	10.3
321.06058	11.5
323.09113	64.6
327.05011	31.8
335.09167	34.5
339.04782	6.3
341.10147	8.6
345.06100	9.5
347.09229	23.1
359.08844	3.6
363.07144	7.8
365.05814	2.8
365.10126	51.1
369.06049	4.8
377.10217	41.5
387.07175	6.3
389.10239	32.0
395.11264	19.7
401.10114	4.9
405.08331	10.0
407.11234	24.1
411.10568	8.2
413.12308	41.3
418.22183	4.1
419.11041	3.5
425.12216	27.4
431.11282	45.4
443.13333	37.5
449.12241	12.0
461.12500	6.2
467.13409	27.3
473.11890	8.5
479.13315	20.7
491.13367	14.9
509.14398	18.1
527.15698	21.7
581.31445	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	581.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.6
55.01877	12.2
63.88754	1.4
65.03936	2.2
71.02119	1.5
77.03918	1.8
91.05480	13.5
93.07063	13.4
95.04965	8.5
103.05477	14.7
105.03401	40.1
105.04520	4.7
106.04212	3.0
107.04979	2.1
118.04189	2.0
119.04969	3.6
121.06506	28.5
121.07323	2.2
131.04945	7.0
134.03662	5.5
135.08075	1.7
145.02847	4.5
147.04413	2.5
147.08052	2.0
148.05220	3.5
149.05986	46.2
151.07648	2.2
153.05481	2.0
161.06064	2.5
163.07576	3.9
165.09161	3.7
167.07092	1.6
176.04739	3.8
176.08395	3.7
177.05476	21.8
177.09125	3.7
179.07109	4.3
181.04996	17.9
181.08589	30.7
189.09138	5.9
191.07033	30.8
194.09322	2.5
207.06541	11.7
209.08096	100.0
210.08406	3.3
223.06116	1.6
242.79323	1.5
245.08174	4.3
249.11305	7.9
251.09164	46.7
271.90991	1.6
277.10843	2.7
329.10135	12.2
367.11710	2.6
368.22141	1.6
399.14478	7.8
427.13934	6.1
431.68405	2.0
459.16464	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	581.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.29430	0.4
67.05492	2.2
69.03410	0.9
69.07059	1.7
69.93792	1.2
70.06585	0.7
79.05482	1.8
81.03416	1.0
81.07047	2.0
85.02895	2.1
91.05471	1.0
93.07043	0.7
95.04958	1.0
95.08601	1.1
97.02884	0.5
97.06538	7.8
99.76892	0.5
103.05495	0.6
105.07034	3.4
106.07374	0.9
107.08581	1.4
109.10171	0.7
119.08554	1.0
121.10165	0.6
123.11753	0.5
125.06006	0.7
127.03928	0.8
131.08543	0.5
133.06479	1.7
133.10153	0.8
137.05968	0.9
145.10144	1.0
147.11719	0.5
153.05414	0.7
161.05965	3.4
162.06346	1.2
163.03947	0.6
167.06973	0.5
171.07973	0.5
173.05788	0.6
181.04924	0.8
189.09134	0.9
191.07072	1.9
193.08621	1.9
198.10945	0.6
199.07532	1.0
203.06834	0.7
203.18004	0.5
204.18269	0.7
206.48221	0.5
213.09090	0.5
245.09819	1.0
249.09190	0.5
255.09923	0.6
259.09900	0.7
269.11691	0.7
273.10953	0.7
287.12823	1.9
297.24341	0.8
313.14258	0.6
323.09128	0.7
327.15851	0.6
331.15640	2.6
337.14221	0.6
341.30151	0.5
355.11578	1.0
355.15479	3.0
363.14246	2.9
373.16315	2.8
377.15588	1.3
378.16397	5.8
388.21191	2.6
389.21469	0.9
420.09320	0.6
433.21964	19.6
434.22482	1.2
477.20981	14.1
478.21384	0.8
495.22290	2.6
537.23053	26.1
538.23267	1.0
547.21808	1.3
565.22650	1.3
581.21991	100.0
582.22241	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	581.221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42150	0.5
55.01866	0.6
55.05515	1.0
55.50308	0.5
57.03437	0.7
67.05489	0.9
69.03426	1.4
69.07063	1.4
70.07626	0.4
70.67570	1.0
71.04986	0.7
79.05501	1.3
81.03436	1.0
81.07052	2.2
83.01105	1.2
85.02902	1.9
85.30846	0.5
91.05482	2.0
93.07059	1.2
95.04975	1.3
95.08612	1.2
97.02887	0.8
97.06534	5.4
98.32848	0.5
105.07021	1.9
107.08600	0.8
109.10163	0.8
110.02688	0.5
119.04814	0.6
121.10114	0.6
131.08601	0.7
133.06555	0.6
138.12842	0.6
139.03784	0.6
145.10139	0.8
146.94673	0.5
164.14337	0.8
191.07077	1.2
232.11322	0.5
245.09918	1.0
259.09756	0.8
279.23172	0.6
287.12894	2.0
331.15482	1.7
355.15436	1.3
363.14157	2.4
373.16461	1.9
377.15872	1.4
378.16528	5.0
388.21191	15.3
433.21982	13.5
477.21014	10.7
488.17612	0.6
495.22137	1.6
537.23041	18.9
538.23291	1.0
547.21722	0.8
565.22729	1.5
581.22028	100.0
582.22394	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	581.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74046	1.2
60.39786	1.3
67.05506	1.8
70.14834	1.8
70.69258	1.2
71.53304	1.4
72.46416	1.3
83.94019	1.3
91.05518	1.3
109.10188	1.8
112.38144	1.4
190.08264	1.3
196.23398	1.3
247.00105	1.4
299.12122	1.7
366.62631	1.5
388.21222	2.3
425.65524	1.4
477.24573	2.7
581.27142	100.0
582.27368	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	582.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
60.04509	0.8
61.02914	1.0
69.03425	2.5
70.06590	2.6
78.04742	1.6
79.05491	1.5
81.03419	1.8
84.08144	1.1
85.02908	9.7
86.09684	1.2
91.05474	2.9
95.04964	1.8
97.02889	2.8
105.07009	1.8
107.04945	4.6
109.02856	1.3
115.05470	1.7
117.07018	1.4
119.04948	1.3
123.04412	4.9
124.05210	1.4
126.05476	1.0
127.03861	1.7
131.04929	1.8
137.06001	3.1
140.04651	1.1
145.02823	1.2
145.04964	2.4
145.06502	2.8
147.04375	1.4
151.03894	1.0
153.05470	4.1
155.07053	3.3
160.05243	2.1
161.05984	2.1
162.07602	1.0
163.03928	2.0
165.05391	1.2
167.07034	100.0
173.06024	4.7
175.07571	2.6
177.05504	2.4
179.08585	1.4
180.08707	3.3
186.03085	2.6
189.05440	1.4
191.07045	3.7
201.05452	11.3
203.07079	4.0
204.04152	1.6
206.07156	1.1
207.06448	3.0
207.08127	3.2
213.05473	3.5
218.07326	1.2
219.06508	8.1
220.05231	2.1
221.05920	2.0
231.06499	8.0
234.06775	2.3
235.07503	6.0
237.07465	1.0
246.50890	0.9
248.04559	1.2
249.05371	0.9
251.07233	2.1
252.07800	2.2
262.06229	1.1
263.07071	6.2
264.07794	2.1
265.05109	1.1
265.08517	1.1
266.05804	1.2
267.10168	3.2
276.07880	1.6
277.08353	2.0
279.06400	1.3
280.07272	2.8
281.07983	2.3
291.06525	1.8
293.07999	1.0
295.09622	6.5
297.07401	1.4
305.08081	1.4
306.03952	0.9
307.06265	1.0
308.06763	1.4
313.10629	2.1
321.07526	1.2
322.08353	1.3
323.09137	4.5
325.07162	1.3
327.12183	2.1
335.09161	1.2
337.10513	5.8
340.09189	4.2
341.10126	2.3
353.10187	1.4
355.11749	36.5
358.10574	4.7
367.11932	4.6
373.12808	42.7
374.13120	2.6
385.12796	17.5
403.13855	2.7
420.23318	2.1
431.93060	1.0
434.88379	1.2
440.20282	3.5
582.27429	4.1
583.31464	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01873	1.0
55.05516	0.4
57.03432	1.2
61.02927	2.3
61.29211	0.3
67.05505	1.8
69.03429	5.0
69.37729	0.9
69.38118	0.5
71.01363	0.4
71.04994	1.4
73.02921	1.5
79.05505	1.3
80.05025	0.7
81.03425	1.5
81.07060	0.8
83.01347	1.0
85.02906	5.2
85.06572	0.4
87.04482	0.9
91.03966	0.8
91.05495	1.7
93.07057	0.9
94.06569	0.4
95.04989	1.1
97.02896	3.3
99.04462	1.4
101.02398	0.5
105.07027	1.5
106.06555	2.0
107.04950	0.8
107.08588	0.4
108.08107	0.4
109.02876	0.6
109.06522	0.6
111.08086	0.4
112.07668	0.4
115.03918	0.6
115.05475	0.5
117.07045	0.6
118.06561	0.7
119.04968	0.4
119.08566	0.8
120.08129	0.6
122.09699	0.4
123.08064	0.4
126.09154	0.8
127.03918	2.0
127.07630	0.3
129.07040	0.8
130.06517	1.0
131.08585	0.8
133.10167	0.5
134.09682	1.1
135.04402	0.4
135.08087	0.4
136.07642	0.5
137.06000	0.8
141.05464	0.6
145.05029	0.7
145.06532	1.0
145.10165	0.4
146.09673	0.6
147.08084	0.7
148.07614	0.5
149.09660	0.4
150.09134	0.5
151.03893	0.5
151.07545	0.4
152.10756	1.0
155.03421	1.5
155.07091	1.0
155.08487	0.5
157.10178	0.4
159.08081	0.7
160.07549	0.5
160.11281	1.0
161.09669	0.5
162.09160	0.5
162.12837	0.5
163.06126	0.3
165.05540	1.5
167.07111	0.8
172.11227	0.7
173.06067	0.4
173.09622	0.6
175.07561	0.7
176.10818	0.5
177.22449	0.3
178.12299	0.5
179.07091	0.7
183.06615	1.0
183.08096	0.5
185.09694	0.6
187.07532	0.4
187.14749	0.4
189.09207	0.5
189.16370	0.9
190.12270	0.5
191.07019	0.5
195.06563	0.4
199.11328	0.4
201.09181	0.9
202.12277	0.4
204.13852	0.6
205.08707	0.6
205.15895	0.5
207.06389	0.4
207.10228	0.4
218.11732	1.5
220.13344	1.6
221.08066	0.4
228.09795	0.3
231.10435	0.3
236.12805	1.8
241.08752	0.4
247.09575	0.5
256.13434	0.5
261.11142	1.5
263.09088	0.7
273.11243	1.9
308.14810	0.4
339.16122	0.3
384.18109	0.8
402.19006	2.6
420.20181	29.5
421.20486	1.3
582.25427	100.0
583.25714	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	582.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01873	1.0
55.88444	0.5
57.03445	1.0
61.02927	1.0
67.05489	1.6
68.05015	0.6
69.03432	10.0
69.10315	0.6
70.02940	0.6
71.04971	0.8
73.02923	0.9
79.05506	1.8
80.05029	1.5
81.03416	2.4
81.07036	1.2
83.01329	1.0
83.04932	0.6
85.02907	5.0
85.06533	0.9
87.04457	0.8
91.05491	2.1
93.05815	0.7
93.07052	2.1
94.06554	0.8
95.04977	1.0
95.08627	0.5
97.02902	4.2
99.04465	1.1
105.07051	1.4
106.06592	2.5
107.04963	1.4
108.08155	0.8
109.02914	1.3
109.06524	7.4
115.03940	0.8
115.05492	0.9
117.07027	1.2
118.06561	2.4
119.04935	1.0
119.08624	0.6
120.08121	0.6
121.06495	1.7
122.06002	0.7
124.11248	1.5
125.02396	0.8
127.03936	1.7
128.06277	1.2
129.07033	2.4
131.07323	0.7
131.08603	0.7
132.08130	0.8
133.06502	1.3
133.26613	0.6
134.05986	0.9
134.09573	0.6
135.08064	9.4
136.07570	0.9
136.11209	1.8
137.06013	1.4
139.03899	0.7
141.06999	0.6
143.08569	1.3
145.06493	1.7
146.06052	0.8
148.11101	0.7
150.09242	0.5
151.07544	0.8
151.11189	9.1
153.01872	4.3
153.05464	1.1
154.12288	1.2
155.08530	1.2
160.07590	1.0
160.11249	1.4
161.06053	0.8
161.09663	1.4
162.12828	1.6
163.06323	0.6
163.11194	5.5
165.05444	1.4
166.10835	0.6
171.08035	1.1
173.06030	0.6
174.12852	2.8
175.07588	0.6
175.14828	0.6
176.10767	0.7
178.12302	2.3
183.06575	1.1
183.08049	1.4
187.07651	0.6
192.13881	1.0
193.04999	1.5
195.27095	0.6
200.08160	0.7
201.09143	0.8
202.12271	20.4
204.04204	0.8
204.13789	0.8
205.05016	0.9
215.10626	0.8
218.11740	2.8
220.13327	38.5
223.05978	1.7
227.07074	0.7
236.12852	3.8
245.08170	0.8
247.09671	0.7
256.13385	0.6
259.09766	0.6
261.11240	5.1
276.16019	0.7
277.10632	0.8
279.08673	0.7
287.12872	1.2
289.10696	2.0
307.39459	0.6
317.13867	1.0
327.82584	0.5
382.18802	1.6
384.18124	1.7
402.19119	35.5
403.19498	1.5
420.20157	46.7
421.20505	1.4
444.20505	0.6
564.24200	3.3
582.25433	100.0
583.25616	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	582.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.01825	1.3
55.05476	0.7
57.03389	2.4
59.04970	0.4
61.02926	3.6
65.03905	0.5
67.05455	1.7
69.03429	10.2
69.36921	2.0
71.01305	0.5
71.04997	3.6
73.02926	3.1
79.05489	2.1
80.05022	2.6
81.03420	2.9
81.07003	1.4
83.01289	1.3
83.04926	0.6
85.02911	9.2
85.06503	0.7
87.04450	1.8
87.11406	0.4
91.03897	0.6
91.05485	2.7
92.04986	0.4
93.07047	2.1
95.04913	1.4
95.08545	0.7
97.02893	4.6
97.06537	0.5
99.04458	2.3
101.02331	0.4
103.05459	0.4
106.06557	3.8
107.04920	0.8
107.08537	0.4
108.08075	0.7
109.02832	1.6
109.06569	2.1
111.08040	0.6
112.96636	0.4
113.05941	0.4
115.03909	0.4
115.05414	0.6
117.06985	0.9
118.06490	1.3
119.04910	0.6
119.08578	0.9
120.08070	1.2
121.06452	1.5
122.06017	0.7
122.09608	1.4
123.07988	1.4
125.05932	0.4
126.09093	0.8
127.03927	3.7
128.06194	0.5
129.06967	0.7
130.06462	1.2
131.08498	1.3
132.08055	1.3
133.06418	1.4
134.05998	0.7
134.09668	2.5
135.08047	0.9
136.07535	1.1
137.05968	1.8
139.07465	0.7
140.10640	0.6
141.05368	0.6
142.07683	0.5
143.08453	0.6
144.04317	0.5
144.08018	1.3
145.06422	0.7
145.10103	0.5
146.06012	0.5
146.09575	0.5
148.07500	1.2
148.08629	0.4
148.11206	0.9
149.05975	0.9
150.09120	0.8
151.03908	0.9
151.07512	1.9
152.10638	0.8
153.09032	0.6
155.03397	2.9
155.07004	2.3
157.04988	0.5
158.07150	0.4
158.09546	1.2
158.11725	0.5
159.07996	1.1
160.07478	1.7
160.11201	2.5
161.09560	0.8
162.09093	1.3
163.07487	0.6
164.06947	0.4
164.10567	0.5
165.05405	1.7
165.09175	0.4
167.06985	1.3
167.14661	0.4
169.06564	0.4
169.08630	0.8
169.10124	0.5
170.09569	0.4
170.11708	0.6
172.07509	0.5
172.11182	0.9
173.06015	0.5
173.09595	0.7
176.07031	0.9
176.10735	2.1
177.08934	0.5
178.08687	0.4
178.12221	1.3
179.07054	1.8
179.10600	1.1
180.10103	0.5
181.08531	0.9
181.12094	0.4
182.09601	0.6
183.06535	3.0
184.07523	0.5
184.11046	0.6
186.09077	1.0
187.07478	0.6
188.10724	0.5
189.09145	0.5
190.12241	0.9
191.07033	0.6
194.11722	0.9
195.06462	0.6
200.06790	0.4
200.10648	1.5
201.09047	0.5
201.11455	0.7
202.12225	0.9
204.10162	1.0
207.06522	2.4
214.08624	0.6
214.12305	0.5
215.10757	0.4
218.11768	8.1
219.12436	0.9
220.13359	0.7
223.09694	0.6
225.07578	1.0
228.13837	0.5
236.12811	11.8
246.14915	0.8
247.09702	2.2
248.10719	0.4
256.13272	1.4
261.11084	1.1
263.09180	0.6
264.09781	0.4
273.11194	1.3
274.11536	0.3
274.14270	2.3
290.13855	1.9
291.15958	0.5
308.14896	4.2
314.13925	0.9
317.13684	0.6
324.16043	0.6
366.16962	1.5
382.44177	0.4
384.18088	2.8
402.19150	3.8
420.20157	76.7
421.20554	3.2
470.20163	1.1
564.24146	0.5
582.25433	100.0
583.25769	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	582.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64577	0.6
55.01871	1.4
57.03455	0.8
61.27457	0.6
69.03445	3.5
69.56919	1.9
70.06589	0.7
70.19035	0.5
73.02940	0.7
79.05476	2.9
81.03404	3.3
85.02912	6.9
87.00826	2.8
91.05486	2.2
93.07032	0.7
95.04975	0.9
97.02876	2.4
99.04455	1.7
103.05471	2.1
105.01867	2.0
105.07035	10.5
105.77247	0.6
109.02874	2.0
109.06574	0.7
117.01851	0.8
119.08547	0.7
120.05707	1.8
121.06571	1.3
121.10155	3.0
123.08088	1.4
127.03918	6.1
131.08556	1.3
133.06564	0.6
135.04430	6.1
135.08093	3.1
137.09612	0.8
145.04967	2.8
147.08125	0.8
149.05933	0.6
149.09616	5.0
150.06766	79.3
150.76886	0.6
151.07608	2.6
151.11179	0.7
153.09109	1.0
159.02875	2.1
163.07480	0.6
164.08331	9.2
165.09125	100.0
166.09448	1.6
179.10678	32.5
189.09166	0.5
198.21878	0.6
207.10243	1.4
210.44624	0.5
231.05016	1.1
275.18829	1.2
315.15826	0.6
317.17487	97.3
318.17831	2.2
329.17365	1.5
341.17429	0.7
359.18628	4.0
383.18588	0.9
407.18533	2.7
425.19522	3.2
511.19586	0.8
527.57843	0.6
553.65039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01872	1.8
57.03429	1.9
60.54853	0.6
61.02929	1.3
64.63969	0.6
68.99786	1.2
69.03431	6.4
70.24332	0.9
73.02908	1.1
74.34679	0.7
76.43806	0.7
79.05489	1.8
81.03429	6.2
85.02908	15.5
87.00830	5.4
91.05482	2.8
97.02909	5.1
99.04457	2.7
103.05466	2.7
105.01879	4.8
105.07029	10.1
108.04467	0.7
109.02880	3.7
114.93816	0.7
119.08591	4.1
120.05715	1.3
121.06509	2.1
121.10177	0.8
127.03922	9.2
129.01875	1.2
135.04390	6.3
135.08015	3.6
137.05994	1.4
145.04977	4.8
145.06369	0.7
146.07310	1.1
147.08047	1.9
149.05986	0.7
149.09651	0.7
150.06764	65.0
151.07521	3.7
151.11131	1.6
159.02899	2.8
161.09613	4.0
164.08322	1.6
165.09119	100.0
166.09467	1.9
174.12476	0.6
175.07430	1.0
177.86649	0.6
179.10675	39.3
189.08984	1.0
190.11899	0.6
203.10722	2.2
207.10181	2.9
231.04970	2.0
231.10197	1.0
245.11792	1.0
269.11584	0.8
275.18665	0.7
307.62616	0.8
311.16373	6.4
317.17480	49.0
318.17819	1.5
327.15854	1.6
341.17523	7.3
359.18594	4.1
383.18512	12.9
407.18616	6.9
425.19647	3.7
582.21826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.0
55.01842	0.9
56.02613	0.3
57.03381	2.5
57.65818	0.4
59.04943	0.3
59.75847	0.4
61.02927	4.0
67.05463	0.7
69.03429	14.6
70.06551	0.5
70.14481	0.6
70.14822	0.8
71.01318	0.4
71.04996	3.8
71.05357	0.7
71.06097	0.3
73.02916	3.5
79.05468	0.5
80.04978	0.5
81.03427	3.9
81.06986	0.4
83.01303	0.8
85.02903	15.6
87.04470	3.2
91.03897	0.9
91.05412	1.4
93.07010	0.6
94.06509	0.8
95.08558	0.4
96.08089	0.4
97.02897	7.0
99.04383	1.3
101.02319	1.0
106.06496	1.5
107.04900	0.7
108.08080	0.6
109.02893	1.8
115.03889	0.7
117.06940	0.8
118.06484	1.2
119.04881	0.5
119.07275	0.4
119.08549	0.6
120.08070	1.1
122.09614	1.2
124.07545	0.5
126.09081	0.7
127.03915	2.9
128.06177	0.6
129.06949	1.0
130.06471	0.4
131.08551	0.4
132.08093	2.4
133.08833	0.4
134.09650	3.6
135.04364	0.5
136.11180	1.2
136.64639	0.4
137.05963	0.4
139.03851	1.1
139.26495	0.3
143.08493	0.4
144.07990	0.4
145.04889	1.1
145.06474	0.6
146.09601	0.5
148.07515	0.9
150.09093	1.0
151.07550	0.5
152.10609	1.6
153.01765	1.0
153.05385	1.0
154.12306	2.7
157.06432	1.3
159.10402	0.5
160.07623	3.0
160.10150	0.4
160.11191	4.3
161.11972	0.9
162.09102	0.7
162.12706	0.4
164.10634	0.6
172.11111	1.0
174.09099	0.5
174.12730	1.4
175.07590	0.5
178.12225	1.2
184.11153	1.3
185.06000	0.4
185.11975	0.5
187.07477	0.5
188.10715	1.3
189.11465	0.5
192.13815	0.4
193.05058	0.8
196.13179	0.7
202.12285	7.1
205.08363	0.4
216.10172	1.5
217.08522	0.5
219.06482	0.5
220.13318	39.3
221.13757	1.3
223.06110	0.8
230.15323	0.7
240.13873	0.4
241.10930	0.4
245.08113	0.9
247.09705	0.8
256.13303	0.8
258.14890	1.8
262.14420	0.9
263.09058	0.6
290.13754	0.4
291.12332	1.7
296.88742	0.4
308.14859	1.6
314.13638	0.7
332.15082	0.5
345.32257	0.4
352.15549	0.4
366.17276	0.4
382.18521	1.2
384.18134	2.7
402.19104	22.8
403.19598	1.0
420.20154	48.5
421.20319	2.0
564.24402	2.1
582.25421	100.0
583.25842	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	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60586	9.1
67.05515	21.1
69.71528	21.4
69.71856	15.3
73.39546	8.9
79.05454	11.7
81.07043	28.9
91.05479	34.8
93.07035	30.0
95.04968	51.4
95.08562	19.4
98.23457	20.7
102.75806	10.5
105.07035	52.9
107.08561	33.3
108.63503	9.9
109.06530	12.4
109.10128	21.4
117.07033	19.8
119.08557	70.9
121.10140	39.1
123.08070	25.6
129.06981	22.5
131.08569	49.1
133.10101	30.1
135.11696	11.9
142.07765	18.3
143.08560	66.1
145.10130	64.6
149.09599	11.1
153.06946	11.3
155.08501	16.9
156.09398	15.4
157.10149	62.1
159.08057	9.8
159.11662	26.2
161.09636	15.0
167.08557	14.0
169.10132	33.2
171.11679	35.0
173.09578	22.0
173.13309	16.5
181.10127	35.8
183.11705	39.9
185.13295	16.4
187.11188	18.9
193.10217	18.0
194.10823	11.2
195.11659	34.2
197.09641	11.5
197.13206	22.0
199.11125	20.3
206.10896	13.4
208.12460	11.4
209.13348	12.9
221.13200	12.1
223.11105	13.6
223.14716	21.7
227.14288	15.3
233.13110	13.2
237.16093	10.5
273.18652	64.2
291.17517	14.5
299.19873	16.3
302.89642	10.4
337.21515	22.1
352.23877	90.8
444.30167	42.3
542.42889	12.9
582.40601	100.0
609.87506	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	582.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.1
57.03432	7.0
57.07079	9.5
62.55156	7.1
67.05500	35.8
69.03422	5.4
69.07066	20.6
71.40623	6.6
79.05501	22.5
81.03419	36.7
81.07053	42.6
83.04967	7.8
83.08621	20.1
85.02891	13.9
91.05489	18.6
93.07037	21.2
95.04971	17.4
95.08624	26.9
103.16173	5.3
105.07041	25.4
107.08610	9.8
109.10153	12.6
111.08228	4.7
117.06995	7.4
119.08599	19.5
121.10154	11.8
123.11625	5.6
129.07005	11.1
131.08574	8.4
133.10107	10.7
135.11674	6.7
145.10126	5.7
147.11674	11.9
157.10182	9.6
165.12851	5.7
175.11198	7.5
193.12256	22.9
211.13283	32.1
242.11372	5.4
283.15091	10.1
284.15860	5.9
285.16995	20.1
337.27451	37.1
547.39911	53.7
582.40619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60158	1.6
53.83893	1.5
55.01853	2.1
55.05512	10.9
57.03442	9.2
57.07077	2.5
67.05512	31.2
69.03444	1.6
69.07076	12.8
70.27802	1.5
70.82024	2.0
71.04988	2.8
71.08618	2.1
79.05497	15.0
81.03416	18.9
81.07061	34.3
83.04984	8.3
83.08623	10.5
83.46090	1.6
85.02920	8.8
85.06532	1.7
91.05486	17.5
93.07056	11.4
95.04982	11.1
95.08620	20.1
97.06562	2.4
97.10193	3.4
99.08066	1.8
105.07045	12.3
107.08598	7.2
109.06525	2.3
109.10202	7.9
111.08067	6.2
112.24461	1.6
112.99905	1.7
117.07005	1.8
119.08619	10.0
121.10117	7.6
123.11732	4.7
129.07013	2.4
131.08585	5.3
133.10156	5.3
135.11728	2.2
147.11739	6.9
149.09613	3.3
157.10123	5.0
161.13326	1.7
165.12805	2.1
175.11264	3.5
193.12253	18.3
211.13300	32.1
263.23651	1.6
267.16022	6.2
269.13568	4.8
270.09253	1.8
285.16971	27.8
286.17059	1.7
337.27390	57.9
403.87820	1.6
435.11444	1.8
529.38690	8.0
547.40039	46.4
582.40607	100.0
583.40967	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15144	1.9
55.05515	8.7
57.03441	7.2
57.07077	3.0
67.05507	23.1
69.03423	1.8
69.07069	11.2
69.86544	3.8
69.86925	4.0
69.95175	1.6
71.04997	2.8
79.05491	13.4
81.03410	21.6
81.07062	29.7
81.80190	2.0
83.04977	6.6
83.08624	13.8
85.02917	7.4
91.05479	17.3
93.07042	10.6
95.04977	9.8
95.08595	16.1
97.10195	3.7
105.07048	11.2
107.04990	2.7
107.08596	4.6
109.06469	3.2
109.10184	5.4
111.04452	2.0
111.08111	5.3
119.08615	8.4
121.10152	6.1
123.11712	2.5
127.64744	1.8
129.07031	4.6
131.08559	5.2
133.10179	5.9
147.11742	5.7
149.09666	2.2
157.10162	4.9
175.11209	5.4
193.12250	20.4
211.13309	34.0
211.15134	2.9
228.88480	1.7
248.17657	2.4
251.12646	2.2
267.15820	10.2
269.13712	3.5
270.14120	2.7
285.16998	34.0
335.05103	2.1
337.27313	41.0
337.31268	2.5
338.27386	1.9
416.68329	2.1
493.34747	3.9
529.38806	6.7
547.39917	31.1
564.39624	4.4
570.69672	2.0
582.40582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03438	2.0
58.56653	0.9
58.71738	0.8
61.02930	1.1
65.03942	3.3
69.03439	1.0
69.60888	3.5
73.02928	1.0
79.05496	2.8
81.03423	3.1
85.02907	9.1
91.05479	100.0
95.04984	2.8
97.02911	2.6
103.03963	2.5
103.05495	2.6
105.03387	1.2
105.07030	87.9
106.07391	1.7
106.84748	0.9
109.02913	3.3
109.42430	0.8
111.04423	1.2
114.38454	0.9
115.05443	13.5
117.06993	2.4
119.04951	1.7
121.02879	6.9
123.04478	1.8
127.03909	1.0
128.06288	0.8
129.07008	2.3
131.04913	1.7
133.06473	7.9
135.04416	1.7
139.03949	3.8
140.17201	1.1
141.06993	0.8
143.04938	1.2
145.06496	1.3
147.04434	3.2
149.02409	1.6
151.03940	8.2
153.07021	1.4
155.04890	2.0
157.06490	9.1
159.04381	1.3
161.05978	1.9
163.03880	9.5
165.07018	1.4
167.08543	1.0
171.04405	1.4
172.78577	1.0
173.02330	2.3
175.03911	4.5
176.85381	1.0
177.05534	2.3
178.07759	1.2
179.03363	1.3
179.08588	1.6
181.04999	3.1
187.03929	2.9
189.05515	3.5
191.03430	1.4
191.08646	1.7
193.04959	3.3
193.10269	1.4
195.02786	1.3
195.37627	0.9
199.03918	1.8
201.05508	2.8
202.07922	1.4
203.03476	1.9
203.08597	1.1
205.04918	10.2
205.10115	2.1
209.09666	1.5
211.07611	1.2
213.05501	3.8
215.03458	1.9
215.08649	1.4
217.04959	9.9
218.07251	1.1
219.02882	1.2
219.08192	1.9
221.09727	2.0
223.07451	1.3
225.05476	1.6
228.09454	1.1
229.04878	5.0
229.10225	1.2
231.06395	2.1
231.08354	1.7
233.09706	1.5
237.09108	1.8
241.04927	2.1
243.06367	1.3
245.04407	1.1
247.06076	3.9
248.08192	1.2
249.09085	3.1
253.04773	1.8
257.04486	1.3
259.06021	4.0
261.09253	3.1
263.07132	2.6
265.08679	4.8
271.06052	3.7
271.09729	3.2
277.08737	5.3
283.06412	2.0
283.09656	8.7
289.08615	3.5
291.06668	1.7
291.10178	2.9
295.09607	7.9
301.07263	2.2
301.10663	2.7
303.10150	3.8
307.09558	6.8
309.07880	1.2
309.11252	1.6
311.09293	3.1
313.07440	1.5
313.10754	14.4
315.10138	3.2
319.09644	4.5
321.11200	2.4
325.10767	15.3
329.08267	1.4
331.09579	6.5
337.10699	23.9
343.09540	3.0
345.11258	2.5
349.10730	20.9
355.09372	1.8
357.11185	2.6
361.10626	11.3
363.12360	1.7
367.11768	24.9
369.11166	1.8
373.10568	8.1
373.14420	0.9
375.12308	2.3
377.09888	1.6
379.11765	27.8
385.10828	3.0
387.12466	1.1
391.11743	28.7
397.13104	10.2
403.11627	19.9
409.12802	15.3
415.14050	33.6
416.12479	1.0
421.12732	1.9
427.13913	13.1
433.12900	22.5
445.13425	12.6
451.13861	13.9
457.12772	3.4
463.13849	12.7
469.14853	13.0
475.14047	6.2
481.14908	21.1
493.15012	11.1
511.16037	8.3
529.16882	7.9
547.17950	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79402	0.3
53.03950	3.0
53.04182	0.5
55.01874	0.3
55.05500	0.7
56.05024	0.9
60.04529	2.4
65.01466	0.4
68.05027	0.8
69.03423	0.9
70.06585	2.3
71.01334	0.4
71.20805	0.5
79.47655	0.3
80.05012	5.2
81.03419	3.7
84.04504	38.2
84.08152	0.5
85.02886	0.8
85.04870	0.4
86.09699	0.6
96.03941	0.5
96.04499	4.2
97.02857	0.5
97.05273	0.4
98.06054	17.5
103.03964	1.0
108.04479	24.7
109.02874	10.3
111.59293	0.3
114.05537	0.6
122.06016	0.3
124.03938	2.6
126.05513	100.0
127.03925	1.3
127.05859	1.5
130.06520	5.8
136.49844	0.4
138.05498	13.1
140.07051	1.0
144.06544	1.8
150.05496	1.6
168.06561	47.0
169.06963	0.5
186.07608	2.6
205.00713	0.3
210.07628	2.2
228.08662	15.7
230.22372	0.3
230.42563	0.3
244.12480	0.3
246.09731	48.4
247.10045	1.1
254.01309	0.4
421.20590	0.7
583.25397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01878	1.1
59.33341	1.2
65.03936	2.4
67.05518	1.7
69.03412	1.8
70.06607	1.0
77.03932	1.2
79.05489	3.5
81.03422	3.7
85.02908	6.4
87.91606	1.0
91.05485	4.2
93.03407	1.5
93.07048	1.3
94.04189	1.1
95.04980	3.6
97.81042	1.1
103.05472	15.4
105.01890	1.9
105.04496	1.2
105.07032	2.9
107.04949	3.7
108.02100	2.2
115.05468	2.9
117.07011	2.7
118.04156	3.7
119.04980	1.8
121.06526	2.0
122.03689	3.9
123.04449	2.7
124.05198	1.1
125.06020	2.3
127.03929	1.6
129.07018	1.8
130.04156	1.3
131.04930	27.4
133.02856	2.1
133.06490	3.6
135.04419	1.5
135.08101	2.2
136.05186	6.0
137.05986	52.4
138.06308	1.0
141.05441	1.4
143.04875	1.2
144.05661	1.4
145.06532	2.8
147.04414	1.7
147.08066	1.1
148.05176	7.9
149.05981	2.8
151.03909	100.0
151.04964	6.3
151.07513	15.6
152.04268	1.2
152.07851	5.1
153.05499	3.6
160.05199	2.0
161.06061	2.6
163.07524	17.7
165.05495	2.7
165.09166	2.3
167.07082	9.3
171.04364	1.4
171.06596	1.9
173.06015	2.4
175.07513	5.4
176.04776	1.6
177.05452	3.0
178.06270	2.6
179.07089	2.1
181.04968	16.5
181.06451	1.9
187.07581	2.0
189.05394	1.5
189.09145	1.7
191.07027	87.5
192.07466	2.7
193.08667	3.1
195.06589	3.5
203.07040	2.2
205.08678	2.9
209.08128	2.9
217.08580	2.0
219.10112	1.9
233.08115	2.8
235.09688	3.5
237.09099	1.6
255.13681	1.3
263.09161	11.4
265.08395	1.1
275.09195	1.3
283.09818	1.3
293.08121	1.2
295.09680	1.1
300.16827	1.4
309.11224	1.6
317.17477	2.8
318.17899	7.1
327.12268	2.0
329.13812	2.2
346.14374	1.0
351.12122	1.8
355.11734	7.5
357.13321	1.9
369.13226	2.9
387.14386	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2182
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
63.36102	1.6
64.68120	1.4
65.03939	21.2
67.05503	4.7
70.60036	2.3
79.05488	4.1
82.04195	4.3
83.00349	1.6
85.02903	1.9
91.05476	2.8
93.03404	11.3
95.01340	2.7
95.04972	3.4
97.06537	4.4
100.07625	2.0
103.05490	1.9
105.07021	3.4
105.19913	1.9
107.04963	2.7
108.02107	2.4
110.03662	21.3
111.04446	26.4
117.03362	2.7
117.06940	2.1
121.02876	15.8
121.03727	2.3
125.05991	23.1
131.04996	2.7
135.04419	2.9
137.06007	3.5
145.02893	6.8
149.05957	2.1
151.03920	33.2
151.05022	2.8
151.07513	3.0
153.05461	100.0
159.08099	4.4
161.06015	4.9
163.03894	14.0
167.07019	5.8
173.02451	2.3
175.07568	4.3
177.05432	11.2
178.05977	1.6
181.05003	1.9
183.07970	1.9
187.07547	3.3
191.06996	1.7
191.08583	2.7
194.07306	2.6
195.06512	3.3
195.08127	2.7
197.06146	2.0
205.08591	2.2
208.09052	1.8
210.06865	2.7
215.07007	2.4
216.07816	2.5
218.07179	2.4
219.08051	4.5
220.09665	5.4
223.07562	4.5
225.09138	3.3
226.06294	3.1
234.11186	4.2
235.07635	3.3
236.08304	4.2
238.62508	2.3
239.07083	6.0
239.10732	2.1
240.07635	1.9
247.09743	11.8
251.07175	3.3
251.10654	5.0
253.08620	10.8
254.09351	4.2
264.07730	2.4
265.08591	3.8
267.06335	2.1
267.10031	2.5
269.11765	4.9
279.10315	3.0
282.08911	3.3
290.17999	1.7
294.09061	1.7
295.09604	2.7
297.11218	7.2
307.09583	10.7
325.10721	48.6
326.11176	2.2
327.12201	2.2
339.12161	23.3
341.13870	3.2
351.12192	6.3
355.11566	2.1
357.13330	52.4
369.13409	4.2
370.13931	2.9
583.29938	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	583.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37120	1.7
55.01862	2.3
57.03438	4.4
61.02940	3.3
61.94252	1.8
62.47272	1.7
67.05496	3.1
69.03436	25.5
69.28502	9.5
71.05032	2.2
73.02927	4.0
79.05493	2.3
80.05000	1.5
81.03431	4.5
85.02899	14.2
91.05507	4.0
94.06590	1.8
95.04982	3.3
97.02918	8.5
99.04473	2.4
106.06573	6.1
109.02878	3.1
109.06533	6.2
110.09705	5.0
112.18575	1.8
120.08102	4.0
121.06598	3.2
127.03932	4.9
132.08098	3.2
134.09663	3.0
134.63501	1.7
135.08089	6.0
138.09143	10.8
140.62796	1.8
142.12329	2.6
145.04990	2.1
146.06050	3.4
146.09698	2.4
148.07564	2.5
150.09175	4.2
151.07594	2.8
155.03458	1.9
155.07141	2.3
158.09662	3.4
160.07620	6.9
160.11198	4.4
162.12842	3.0
163.04944	2.1
165.05495	3.0
167.07155	1.6
169.08638	2.0
170.09592	2.7
172.11195	1.9
176.10703	2.5
178.12328	2.5
179.07095	3.2
183.06619	4.0
184.11279	2.2
188.10757	3.7
195.69337	2.2
202.12245	10.1
203.12810	5.6
204.05702	1.7
204.10316	2.6
207.06566	5.0
216.10292	6.2
218.11798	3.3
219.12216	2.2
220.13298	35.1
221.13632	9.2
222.12985	1.9
232.07610	1.9
236.12915	6.0
237.13205	4.1
247.09715	5.2
249.11259	5.3
258.14844	2.2
292.15268	9.8
326.13943	3.0
328.15555	3.3
332.15027	4.1
344.14816	3.0
368.18570	2.8
386.19699	13.5
388.21176	3.0
402.19235	3.2
403.19351	18.1
404.20700	96.5
405.20905	3.9
420.20172	13.2
421.20557	44.0
565.23938	2.2
566.26001	78.2
567.26501	6.2
583.25818	100.0
584.26331	5.6
596.25348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
77.24419	0.5
91.05495	0.6
92.28616	0.5
93.07024	0.5
277.13229	0.5
283.15198	1.4
285.10068	0.7
293.22131	0.5
299.12534	0.8
478.99820	0.5
565.29694	1.5
583.28906	100.0
584.29279	4.5
603.97589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59044	0.4
58.06574	1.7
63.02374	0.5
65.21416	0.4
69.17966	2.0
70.06565	1.7
72.08158	5.6
84.08143	2.0
89.03902	3.8
95.04928	0.4
97.45983	0.5
100.07619	12.0
107.04993	0.4
108.42297	0.4
112.11232	2.4
113.95393	0.4
114.09136	1.4
117.02576	0.6
117.03373	9.4
129.13872	0.5
134.03604	0.6
135.04402	3.9
143.11798	0.5
145.02846	31.8
149.05995	2.4
157.13364	9.5
163.03900	54.6
164.04292	0.7
170.02332	0.4
171.14928	1.6
174.16006	0.5
176.07079	0.6
176.10619	0.4
177.05467	49.5
178.05875	0.9
183.11211	0.7
199.19704	0.5
219.08893	0.7
220.09676	42.7
221.09914	0.8
228.20668	0.6
234.11244	26.7
235.11650	0.7
245.23303	1.0
248.12820	6.0
275.21222	0.4
291.16721	0.5
305.18573	0.7
319.16452	5.6
333.18042	6.6
347.19678	5.5
403.27011	0.6
407.26657	2.3
421.28442	2.1
523.28906	0.7
541.30524	0.6
583.31244	100.0
584.31543	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	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.05515	20.7
57.07077	12.8
59.04995	2.7
65.03941	4.7
67.05497	32.1
69.03427	8.7
69.07064	20.3
77.61838	2.3
79.05492	32.6
81.07054	37.1
83.04979	9.2
83.08634	10.2
85.06532	7.1
91.04939	3.8
91.05486	55.9
93.07047	63.7
93.18350	2.5
95.04981	15.4
95.08601	37.6
97.06534	4.6
98.23532	5.5
103.05457	4.3
105.04543	4.5
105.06347	4.9
105.07035	82.9
105.07738	4.8
107.08595	54.5
109.06523	12.4
109.10155	29.8
111.08104	3.2
115.05473	5.6
117.07064	16.9
119.08586	100.0
121.06495	6.8
121.10143	55.3
123.08052	11.3
123.11708	6.3
125.05951	4.5
128.06268	14.4
129.07008	22.0
130.07791	4.9
131.08577	43.4
133.06468	5.9
133.10141	56.3
135.08075	11.2
135.11691	17.0
137.05872	2.7
137.09595	12.4
141.07004	8.9
142.07803	28.3
143.08563	50.4
144.09277	7.9
145.10132	65.3
146.10381	2.9
147.08086	16.6
147.11693	22.7
149.09604	9.2
149.13278	4.8
151.07504	14.3
153.06995	5.3
154.07771	4.7
155.08572	20.0
156.09344	21.5
157.10129	65.1
158.10843	9.9
159.08043	4.3
159.11700	32.4
161.09636	7.5
161.13220	12.4
163.11183	9.6
165.05562	2.9
165.07022	7.9
165.09114	32.8
166.07814	5.7
167.08598	11.3
167.10677	15.0
168.09361	10.8
169.10136	33.2
170.10909	9.6
171.11691	39.7
172.12453	3.0
173.09569	7.2
173.13261	29.2
175.11198	3.2
175.14801	14.1
179.08574	19.6
180.09294	9.4
181.10132	18.3
181.12193	9.3
182.10927	11.6
183.11708	38.7
184.12398	7.1
185.09796	2.7
185.13266	20.6
187.14835	7.8
189.07011	3.1
189.12799	4.8
191.14388	12.1
192.09270	5.5
193.10097	18.3
194.10927	16.4
195.11688	22.3
196.12444	6.6
197.13252	23.9
198.14005	2.9
199.14790	22.7
201.16306	3.2
203.14377	12.5
205.10123	6.3
206.10954	9.0
207.11697	25.4
207.13689	5.4
208.12465	8.2
209.13280	39.2
210.14021	4.9
211.14780	13.1
213.12779	4.8
213.16344	5.4
216.09276	4.4
217.10185	3.9
217.15884	14.1
218.10931	4.7
219.11699	8.3
219.17497	4.4
220.12466	8.3
221.13268	19.9
221.15390	57.6
222.13992	7.6
223.14774	17.3
225.12712	3.6
225.16362	6.6
227.14421	4.1
231.11639	6.1
231.17397	2.8
232.12494	7.8
233.13220	13.2
233.15436	6.4
234.13940	4.3
235.14819	16.2
237.16379	10.2
239.17979	6.3
243.11800	3.0
245.13254	7.6
246.14087	8.0
247.14856	13.4
248.15527	3.3
249.16505	14.2
251.17970	7.8
253.19530	3.7
255.17429	4.3
256.12451	4.7
257.13217	3.1
257.19049	11.0
258.13879	3.2
259.14758	6.6
260.15662	5.8
261.16284	14.0
262.17319	3.1
263.17950	7.8
265.19547	7.7
269.18942	4.5
271.14670	5.1
272.15417	3.9
273.16229	6.4
275.17953	14.8
277.19449	5.9
281.19025	4.4
283.20578	21.2
287.17575	6.1
287.20334	4.5
289.19464	6.1
291.21384	3.4
293.18869	2.8
295.20718	4.5
297.16122	3.2
297.21957	3.0
300.21106	4.1
301.19312	4.8
303.20950	3.3
307.20425	4.9
315.21060	4.1
317.22699	3.2
320.13986	2.9
325.09247	2.7
331.24194	6.1
335.23666	5.1
347.23645	4.8
349.24991	13.5
361.25415	3.3
365.24893	3.0
375.26755	6.6
475.80267	2.8
491.34949	7.8
501.32993	2.7
503.35181	4.4
547.39514	3.2
565.40228	21.3
583.41797	90.5
584.41681	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.9
51.02391	2.4
53.03942	2.3
55.05506	11.9
57.07069	12.0
59.05000	4.2
59.33535	1.6
59.93931	1.6
65.03949	3.0
67.05503	23.2
69.03438	7.5
69.07072	19.4
69.14243	1.9
79.05495	17.7
81.07058	35.7
81.07506	2.8
83.04967	8.6
83.08629	10.7
85.06559	7.6
85.93671	1.5
91.05476	42.8
93.07040	56.5
95.04981	14.0
95.08608	38.8
97.06516	4.0
97.10187	2.7
103.05464	3.7
105.04514	4.1
105.07027	69.6
107.08592	50.0
109.06538	7.8
109.10152	22.9
111.08105	3.9
115.05476	4.2
117.07018	17.1
119.08579	87.6
120.08894	2.1
121.06527	4.4
121.10150	47.2
121.10981	3.0
122.04321	1.9
123.08075	13.3
123.11734	6.5
123.76815	1.8
125.05996	4.8
125.09663	3.1
128.06235	13.4
129.07025	16.9
130.07809	5.4
131.08563	31.7
133.06593	2.4
133.10132	47.6
135.08072	12.2
135.11685	17.7
137.09587	10.5
139.07619	1.8
139.11243	3.6
141.07024	7.1
142.07764	19.8
143.08557	39.1
143.09616	2.5
144.09355	6.6
145.10132	52.7
147.08076	15.5
147.11647	16.8
149.06003	1.8
149.09641	5.2
149.13298	3.5
151.07564	14.8
151.11208	3.1
153.07010	4.9
153.09024	2.4
154.07780	4.9
155.08553	18.3
156.09332	17.5
157.10127	63.7
158.10913	12.7
158.87805	2.2
159.08090	4.8
159.11691	30.3
161.09639	5.8
161.13251	10.6
163.11208	9.3
165.07056	6.5
165.09108	25.2
167.08607	10.1
167.10687	13.2
168.09406	8.4
169.10117	26.3
170.10896	10.1
171.11678	38.2
172.12411	2.5
173.09660	3.0
173.13261	29.4
173.14586	2.6
175.11232	4.5
175.14845	12.9
177.12701	2.4
179.08566	16.4
180.09300	3.1
181.10095	17.9
181.12296	6.6
182.10924	9.3
183.11694	36.1
184.12505	6.7
185.09685	2.0
185.13237	22.5
187.11163	3.4
187.14914	7.2
189.12825	7.4
191.14326	13.7
192.09314	4.4
193.10168	13.6
193.11839	2.9
194.10912	12.9
195.11674	25.0
196.12379	5.4
197.13261	23.3
197.14867	2.4
199.11220	2.7
199.14832	21.2
201.12828	3.8
201.16447	4.8
203.08705	2.4
203.14345	13.5
205.10101	3.3
205.16010	2.0
206.10898	6.3
207.11736	21.1
207.13808	6.8
208.12413	10.0
209.13283	34.5
210.14055	3.3
211.14778	12.4
213.12872	3.3
213.16354	4.6
215.14384	2.7
217.10284	2.7
217.12454	2.0
217.15880	13.2
218.10947	3.0
219.11732	11.7
219.41411	1.8
220.12515	5.2
221.13271	20.7
221.15417	51.3
221.17459	3.4
222.13963	5.7
223.14774	17.3
224.15483	2.2
225.16411	9.1
227.14316	5.0
229.16013	2.7
230.10928	2.8
231.11806	4.7
231.17415	3.3
232.12469	5.4
233.13277	13.6
233.15462	8.0
234.14006	4.9
235.14845	14.8
236.15520	2.6
237.12811	2.3
237.16393	7.7
239.18024	3.8
241.16045	2.4
243.11807	2.3
244.12305	2.0
245.13193	8.4
246.14127	5.1
247.14755	13.7
248.15500	4.3
249.16470	9.8
250.17058	2.0
251.14337	1.7
251.18021	6.7
253.19566	3.6
255.17403	3.5
257.13321	3.2
257.18927	11.0
258.14136	4.5
259.14886	7.3
260.15686	5.6
261.16342	11.5
263.18030	5.9
265.16159	2.0
265.19583	8.2
269.19006	5.2
271.14886	4.3
271.20615	3.0
273.16412	7.6
274.17105	2.3
275.17874	14.3
276.18570	2.0
277.16248	1.9
277.19382	4.0
279.17523	3.1
279.21075	3.4
281.19070	4.2
283.20541	20.5
285.16190	2.9
287.17825	2.9
289.19611	6.4
291.20862	2.0
293.19058	3.9
295.20609	4.2
297.22293	2.1
300.20932	2.3
303.20856	2.3
307.20712	2.2
309.21979	2.3
316.21683	2.4
317.19122	2.1
317.22766	3.6
329.22815	3.2
331.24124	8.5
333.22397	2.4
335.23727	2.1
338.20465	1.9
343.24210	2.1
347.23877	2.5
349.25357	8.1
365.24966	2.2
375.26807	4.4
403.30035	6.0
413.28439	2.7
491.35190	5.3
503.35376	5.1
547.39600	3.7
565.40320	24.7
566.40552	2.1
583.41455	100.0
584.41687	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	584.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87817	1.7
70.15000	4.8
74.69190	1.6
89.03945	1.9
91.05467	9.6
92.19543	1.6
95.04953	2.7
98.23418	2.2
102.04672	9.9
103.05465	10.8
105.07023	4.8
117.03391	6.7
118.04128	2.4
119.04934	4.7
121.06493	1.8
123.04424	3.8
128.94872	1.8
130.04161	7.9
131.04941	13.9
133.06523	1.8
134.03645	3.2
135.04507	1.8
137.05968	5.1
138.06218	2.0
142.41434	1.7
145.02870	19.0
147.04395	8.1
149.05945	3.5
151.03889	9.8
152.04211	3.2
161.05978	9.3
162.06757	16.7
162.91754	1.5
163.03888	4.1
177.05466	27.5
178.06148	3.9
187.07480	1.9
191.07031	10.0
191.08453	1.8
192.07417	4.6
193.04973	9.5
219.08122	3.1
231.06462	11.5
260.31201	1.8
295.09290	1.9
323.09158	100.0
324.09402	3.8
355.11734	36.5
579.72150	1.7
584.31061	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	584.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
56.29491	0.6
63.72797	0.6
65.03940	0.8
67.05498	1.1
69.69387	2.6
70.06595	0.7
71.57036	0.6
74.81685	0.7
74.82080	0.7
79.05490	2.7
81.07027	1.1
85.68165	0.7
91.05505	4.2
93.37318	0.6
94.04202	3.9
95.04967	3.1
95.08615	0.8
103.05467	2.5
104.89498	0.8
105.03394	13.4
105.04489	1.2
105.07035	13.3
106.07338	0.6
107.04950	2.3
109.06528	3.0
115.05460	3.6
118.04182	1.1
121.06477	2.0
122.03660	9.0
125.39621	0.6
128.06247	1.0
131.04980	1.2
133.06493	9.2
135.04388	1.9
135.08052	1.3
136.06200	1.3
137.05974	82.9
138.06325	1.2
141.06964	1.0
143.06055	1.5
146.03610	3.5
149.05946	1.2
150.06769	2.1
151.07556	1.5
156.05692	0.9
161.05971	68.9
162.06473	2.2
165.09108	3.8
166.09338	0.8
168.05772	1.2
171.08028	1.5
175.07552	1.4
184.05183	2.8
187.07535	1.2
191.08534	1.9
192.09285	1.2
199.07516	20.1
202.07782	10.3
203.08536	18.1
204.09145	1.2
205.06541	1.6
215.08603	1.4
219.08015	4.9
220.08800	6.1
221.09583	0.9
230.07298	1.8
231.08041	33.8
232.08754	5.9
235.11148	1.5
245.09560	0.7
247.07516	5.0
248.08289	15.2
249.09029	2.5
255.10074	1.6
256.10751	1.3
258.06815	2.4
259.07541	26.1
260.08325	19.9
261.09015	2.5
262.09799	1.5
263.10678	13.2
265.08597	1.7
266.67731	0.9
269.11749	1.2
275.07004	3.8
276.07803	12.6
277.08505	4.8
291.10141	100.0
292.10687	8.1
293.08051	2.4
295.09799	1.2
295.13327	2.7
308.10342	2.3
311.29810	0.8
323.12766	72.6
324.12997	2.3
386.14804	0.8
413.13907	6.3
445.16492	4.0
487.20438	0.8
507.34998	1.3
584.26678	2.2
584.39252	0.7
584.55975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01874	1.4
69.03452	4.3
69.20695	5.2
70.06597	1.3
71.05003	1.1
79.05521	1.5
79.89018	0.9
81.03427	3.0
85.02901	10.4
87.00845	3.3
91.05482	4.6
93.07098	1.0
95.04977	1.9
96.08146	1.0
97.02900	3.7
98.23453	1.7
99.04478	2.7
105.01884	2.6
105.07026	2.9
107.04946	1.5
107.08650	1.1
109.02900	3.3
109.06562	0.9
111.37355	0.9
117.07062	1.6
117.39606	0.9
121.06493	13.9
123.04433	1.3
123.08038	1.1
127.03920	5.7
135.04398	1.2
135.05630	1.0
135.08046	11.5
137.05968	7.9
137.09692	1.0
138.06731	1.2
145.04982	2.8
145.06476	1.9
146.07339	1.1
147.08069	1.1
149.05959	6.5
149.09633	1.9
151.07565	12.7
158.99809	0.9
159.02951	1.7
159.08109	1.0
161.06010	0.9
163.03969	1.4
163.07495	8.5
164.08353	1.1
165.05412	1.0
165.09122	18.4
175.07547	4.0
177.09129	6.8
181.10129	1.0
189.09102	4.7
190.09912	3.7
191.10785	1.2
201.09071	2.0
209.09543	5.2
215.10706	1.2
225.09196	1.8
226.09898	2.6
227.10629	1.8
231.04919	2.1
234.14899	1.4
237.09117	1.3
238.09796	1.1
241.08594	1.3
241.12268	7.8
243.10226	1.1
254.09442	3.5
255.10190	1.2
259.13321	1.2
268.11063	2.2
269.11694	6.9
270.12433	3.2
271.09641	1.8
273.14896	1.6
283.13220	1.2
286.12076	3.9
301.14340	100.0
302.14615	1.8
308.18567	5.4
310.59299	0.9
311.12659	1.5
313.14334	5.3
325.14291	5.2
343.15283	1.3
367.15512	2.2
391.15283	2.8
409.16483	1.2
422.21783	1.2
458.10291	1.0
531.18671	1.2
584.28265	6.0
585.28650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67524	0.5
53.03925	2.6
53.88733	0.5
55.01849	2.5
55.05501	1.6
57.03421	1.3
61.02927	0.6
67.01846	1.3
67.05483	2.4
69.03433	8.7
70.06569	0.6
71.01386	0.7
71.04975	0.8
73.02892	1.3
79.05471	1.6
80.05020	3.9
81.03422	7.4
81.07037	2.3
82.06576	2.9
83.07346	2.9
84.08126	2.3
85.02902	8.5
87.00826	4.2
91.05469	1.4
93.07032	2.3
94.06587	3.4
94.07076	0.6
95.04967	3.3
95.08607	7.5
96.08129	0.9
97.02900	6.2
97.06522	0.9
99.04433	2.5
102.80769	0.6
105.01865	1.6
105.07038	3.7
106.06566	0.6
107.24717	0.6
108.08105	1.1
109.02882	8.7
109.06529	1.0
110.09662	1.0
120.08074	1.1
122.09683	7.1
123.04436	0.7
123.08072	10.8
123.10479	0.8
124.11185	0.7
125.05981	1.7
125.09592	0.8
127.03925	7.1
127.80347	0.5
129.01794	1.1
133.06493	1.6
134.09650	1.4
136.11237	0.8
137.05960	1.3
145.04967	1.7
146.09624	1.1
148.11230	0.7
150.09151	8.2
151.07564	10.6
152.10706	1.4
159.02902	2.8
162.09216	0.7
168.10205	7.5
180.10199	1.5
182.10222	0.9
182.11772	13.3
188.10800	0.7
190.08647	5.0
190.12340	0.8
200.10748	0.8
218.11771	4.2
220.13266	1.9
230.11699	0.7
231.05055	0.8
236.12897	3.8
236.20090	0.6
237.13121	3.2
238.13387	1.5
244.13271	3.5
246.11171	2.9
254.15446	0.6
262.14673	0.8
264.12247	3.4
272.16415	2.8
276.12109	0.9
290.13885	0.8
290.17566	1.5
300.15979	3.8
318.17001	100.0
319.17401	2.8
334.16324	1.3
336.18042	73.1
337.18451	2.6
364.17538	0.9
408.74100	0.6
498.23532	0.9
540.24127	1.7
584.23291	45.9
585.23657	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	584.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01882	0.4
57.03433	0.8
60.04525	0.4
61.02643	0.3
61.02912	1.5
61.16621	0.2
62.74911	0.2
64.79534	0.2
67.05496	0.4
69.03433	2.9
70.73331	0.3
71.04999	0.5
73.02913	0.6
77.03932	0.5
79.05490	3.0
79.39746	0.2
81.03420	1.8
81.07064	0.4
83.01334	0.4
84.70652	0.2
85.02907	17.7
87.04461	0.4
91.03958	0.6
91.05482	0.6
95.04955	1.0
95.08598	0.4
97.02898	4.9
99.04446	0.5
102.05555	0.8
103.05466	2.0
105.07031	100.0
106.07391	1.4
107.92172	0.3
109.02864	1.5
109.10166	0.5
119.08583	0.4
127.03913	3.8
137.06017	0.2
137.09592	0.5
139.07564	0.5
145.04959	6.7
146.09665	0.3
147.08078	0.5
151.07538	5.8
163.06029	2.5
165.09114	10.1
180.08711	1.0
196.87567	0.3
211.13884	0.2
243.13803	87.3
244.14113	2.9
255.13803	0.3
267.13843	0.6
299.16385	0.6
300.25317	0.5
309.14764	1.1
318.26331	0.7
325.11063	0.3
336.27328	0.9
351.15811	0.4
369.17023	1.4
405.18848	0.7
422.21298	0.3
437.43808	0.3
584.32861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.0
59.04985	1.1
65.90476	1.1
69.03435	23.6
69.73973	1.0
79.05485	4.4
85.02901	17.0
87.04475	16.6
91.05438	6.7
92.38853	1.0
93.07048	1.2
95.04966	2.2
97.02886	18.5
98.22705	2.7
103.05464	3.7
105.07030	29.3
107.08585	3.2
109.06505	1.5
115.03931	27.9
115.04714	2.0
115.05442	1.4
117.06998	1.5
119.06007	0.9
120.05701	2.7
121.06498	11.0
127.03925	1.5
131.08542	1.2
133.04964	23.1
133.06502	2.3
135.08052	100.0
137.09589	2.5
143.08423	1.3
147.08049	5.0
149.09590	1.5
150.06735	3.4
150.07790	1.4
151.07559	3.2
159.08105	1.8
165.09116	70.9
166.09503	1.9
169.34427	1.0
174.06767	4.2
177.09068	2.2
181.08672	1.4
189.09077	9.5
201.09175	1.8
210.84718	1.1
231.10266	1.9
241.12256	1.3
243.10068	1.2
261.11273	2.0
267.13733	2.4
273.14841	76.6
274.15158	2.1
285.14871	2.3
297.14868	20.9
309.14923	2.2
315.15677	5.2
339.15903	12.1
351.15884	2.8
363.16208	1.3
369.17038	16.4
381.17026	6.1
399.17938	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	584.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17153	1.2
62.01781	1.3
68.67992	1.2
69.59503	1.8
69.59888	2.9
79.05476	2.7
83.49757	1.3
91.05497	6.0
93.07056	2.1
95.04987	1.7
95.08603	1.5
105.07040	1.4
116.74483	1.2
121.06526	12.4
123.08086	3.2
135.08093	4.3
136.06212	6.7
137.06015	2.9
139.07538	15.4
142.36884	1.3
149.85216	1.1
150.06778	3.2
151.07535	19.9
152.07869	1.3
153.05499	3.4
165.09160	3.6
167.07086	20.4
167.08475	2.4
192.09436	4.2
195.07967	1.3
207.11719	8.7
210.10481	5.1
221.09680	1.7
225.12807	6.1
235.11247	3.0
236.11867	3.1
237.09288	1.7
237.12860	2.0
238.09856	7.0
239.10625	2.2
239.14320	1.5
252.11453	3.6
253.12242	69.8
254.12685	3.1
266.09476	3.5
267.10046	4.2
267.13788	10.9
268.14578	92.4
269.11841	1.7
269.15051	3.6
270.12613	2.0
274.46448	1.5
279.13846	6.1
281.11740	14.4
281.14865	2.6
282.12051	13.3
283.13187	3.0
297.18939	1.5
299.13174	1.5
373.18137	1.5
385.14258	2.2
401.17621	3.3
402.18454	2.3
403.15207	2.6
415.19107	2.3
433.20206	8.7
524.17139	2.0
569.25684	1.8
584.27698	100.0
584.55896	3.5
585.28357	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	585.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64331	0.3
55.01866	0.6
58.75628	0.3
65.03940	1.1
67.05516	1.8
70.32906	0.7
95.04967	0.7
103.05486	0.4
105.04550	0.4
108.02112	1.8
111.04467	0.4
121.03967	0.4
123.04409	0.3
131.04880	0.6
136.01584	0.4
141.05475	2.3
148.05159	0.4
151.03906	100.0
151.04991	8.2
152.04189	1.6
153.05406	0.3
161.06056	0.5
163.07486	0.3
165.05386	0.6
181.04962	4.1
191.07021	5.2
225.07669	0.4
245.08049	0.3
246.23877	0.3
249.85733	0.3
267.83493	0.3
298.36920	0.3
359.11575	0.5
420.97388	0.3
575.21967	0.4
585.27802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57266	1.5
55.01855	2.2
65.03956	2.5
66.24394	1.5
71.44817	1.8
72.89176	1.6
75.69535	1.5
79.05511	7.6
79.63699	1.7
83.01354	4.1
83.04961	1.9
91.05482	27.3
93.07037	3.1
95.04974	5.3
98.30106	1.9
103.05478	6.3
105.04508	3.2
105.07022	19.7
107.04990	2.5
108.05742	3.0
109.06554	2.4
119.01163	1.6
119.04891	1.7
121.02882	22.7
121.06506	51.4
123.08099	10.6
135.04428	13.3
135.08049	10.1
137.05981	4.4
139.07561	10.5
145.06519	5.2
149.06096	2.0
149.07187	3.0
149.09619	2.6
150.06763	59.5
151.07550	84.5
153.07056	2.1
155.08563	1.6
158.07349	2.1
159.08110	3.9
161.06044	4.2
163.07542	3.1
165.07010	2.7
165.09117	52.5
166.07895	1.7
167.07129	2.7
167.08582	2.5
171.08107	2.1
175.07559	46.6
177.09175	3.3
179.08568	4.6
181.06430	2.9
181.08638	2.8
182.07259	2.7
183.08067	6.5
185.06013	2.3
187.07529	2.4
189.09117	4.1
191.07031	3.6
193.10146	2.6
194.07401	1.7
195.08058	4.5
196.08839	4.1
197.09621	5.3
197.77272	1.6
199.07600	2.1
201.09155	2.5
207.08141	3.7
208.08800	2.0
209.09592	5.3
210.06712	1.6
211.07616	10.3
211.11317	4.4
212.08330	5.7
213.09158	5.4
214.09830	2.1
215.10805	2.2
221.09566	2.0
223.07619	2.8
224.08345	7.8
225.09100	13.8
226.09895	2.1
227.10701	6.5
228.07816	3.2
235.07693	2.7
237.09142	6.9
238.09824	2.3
239.07074	12.5
239.10654	10.5
240.07774	2.7
240.11519	5.1
241.08607	11.2
241.12196	4.4
243.10176	8.2
253.08647	7.4
253.12260	4.4
254.09367	20.3
255.10178	18.0
255.13786	4.1
256.10950	15.0
257.11734	4.0
265.08679	5.7
267.10181	39.4
268.10925	5.5
269.08200	7.0
269.11755	35.0
271.09702	29.8
271.13287	9.5
279.10117	2.0
280.11072	2.8
281.11746	6.1
283.09723	2.7
283.13315	3.1
284.10364	6.3
285.14841	2.3
287.16510	2.6
298.11911	2.5
299.12805	27.9
311.12912	12.2
313.14368	44.9
314.14859	1.8
315.16003	3.6
335.65280	1.6
341.11661	5.1
355.13260	3.4
356.14169	4.4
357.14905	5.1
359.12775	1.8
363.12418	2.1
365.13882	1.9
371.12436	2.1
373.14612	2.1
384.13477	3.6
385.14340	5.0
401.13760	6.0
415.18900	3.2
416.16248	2.4
447.21878	2.3
463.15366	3.9
477.16394	1.9
491.14664	11.0
492.19910	2.0
493.19931	3.0
497.19662	3.7
505.16196	2.3
507.21619	7.1
521.19684	18.4
525.22180	2.0
535.21252	23.2
536.21808	6.7
539.24579	9.7
543.23645	7.5
549.22748	2.5
552.21222	4.1
567.23840	100.0
568.24097	4.9
585.24243	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	585.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07626	0.4
53.03930	0.7
61.84224	0.5
65.03925	0.9
65.16483	0.5
67.05492	0.5
69.55730	0.5
71.46683	0.4
72.34546	0.5
78.04722	0.8
79.05489	1.6
91.05477	6.9
93.07050	0.6
95.04956	1.6
103.05460	1.5
105.04572	1.1
105.07009	3.8
108.05775	0.6
119.04918	0.8
121.02881	2.9
121.06499	16.9
121.07326	1.0
123.08068	8.0
131.04915	0.8
135.04404	4.2
135.08054	3.0
137.05981	2.1
138.06758	1.3
139.07544	4.6
149.05966	0.7
149.07098	0.7
150.05614	1.0
150.06764	13.1
151.07542	52.4
152.07903	0.8
153.05405	1.0
161.05980	1.0
163.07530	1.1
164.08261	0.5
165.06978	1.0
165.09116	11.8
167.07033	2.9
175.07582	1.3
181.08617	1.2
191.07027	1.1
194.07224	2.0
195.08061	2.1
196.08908	0.7
197.09630	0.8
208.08836	1.2
209.09628	2.3
211.07549	1.8
211.11084	0.5
212.08344	0.8
222.06740	2.2
223.07430	0.9
223.11159	1.3
224.08279	0.7
225.09103	1.2
226.09882	2.2
227.10600	1.5
236.08339	0.6
237.09090	2.2
238.09830	0.7
239.10669	1.6
240.11429	1.1
241.08615	1.2
241.12189	2.9
242.12997	3.0
250.06279	6.5
251.10706	0.9
253.08673	1.3
253.12509	0.7
254.09344	2.0
255.10138	3.5
255.13841	0.6
265.08597	100.0
266.08960	3.1
267.10156	1.8
268.10928	0.6
269.08603	0.7
269.11697	7.1
270.12497	7.2
271.09833	1.1
271.13242	3.0
283.09650	1.4
286.12177	0.7
299.12796	1.4
301.14365	5.0
302.15085	5.9
317.13800	1.3
397.14447	0.7
415.06738	0.6
415.15283	1.4
420.97443	0.6
517.59534	0.6
543.82642	0.6
553.22131	0.8
567.23334	3.9
585.18665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2484
Annotation	Iryantherin C
Peak:m/z	Relative Intensity
53.03935	1.5
55.01858	1.1
55.05493	1.1
58.33060	0.8
59.28166	1.0
65.03932	1.2
69.58268	4.1
78.04700	1.5
79.05505	6.3
83.01335	4.3
83.04952	1.2
91.05479	23.5
92.63266	1.0
93.07014	1.1
95.04961	6.4
95.08636	1.0
101.72186	1.0
103.05469	4.1
105.04509	2.9
105.07024	12.4
105.23914	1.0
106.04176	1.4
107.04935	2.0
108.05744	1.4
109.06505	1.3
110.40618	1.0
115.05437	1.4
117.06998	2.1
119.04892	1.2
119.08529	1.4
120.05676	1.4
120.52460	0.9
121.06504	40.9
123.08057	12.6
125.05945	2.2
128.06194	1.7
130.04150	2.2
133.06439	1.8
135.04427	12.7
135.08061	7.9
137.05962	4.4
139.07535	8.7
145.06464	7.2
146.07118	1.4
147.08026	3.0
149.05989	1.3
149.07100	2.0
149.09581	1.9
150.06758	62.1
151.07535	72.9
158.07204	2.6
159.08044	3.4
161.05946	3.4
163.07564	1.4
164.08368	1.3
165.06917	2.5
165.09109	54.2
166.07817	1.7
166.09387	1.3
167.08620	1.5
171.08022	2.9
174.06734	1.4
175.07547	45.8
176.08131	1.2
177.09113	6.1
178.07796	1.5
179.08504	1.6
180.75995	1.0
181.06496	3.2
181.08578	1.6
181.10117	2.1
183.08043	4.2
183.11760	1.4
186.69588	1.0
187.07489	1.8
189.09103	2.2
191.08615	1.4
193.10123	1.5
194.07288	3.5
195.08031	5.1
196.08804	4.2
197.09613	3.4
198.06723	1.3
199.07472	1.7
201.09106	2.9
203.10690	1.8
207.08058	1.3
208.08823	1.8
209.09633	5.2
210.06801	1.5
210.10303	1.3
211.07571	6.8
211.11191	4.2
212.08290	3.5
213.09113	2.6
215.10638	2.3
221.09570	2.5
223.07516	3.2
223.11130	2.5
224.08354	9.3
225.09180	6.7
226.09822	2.9
227.07146	1.4
227.10646	6.6
228.07820	3.4
229.08435	1.2
229.12164	2.3
235.07570	3.1
237.09055	8.8
238.09831	3.0
239.07037	10.8
239.10632	10.3
240.07761	2.5
240.11482	2.0
241.08607	6.4
241.12216	2.9
243.10184	7.7
243.13885	1.4
249.09268	1.6
251.06874	1.5
251.10735	2.5
252.07771	1.8
253.08644	7.8
253.12157	4.6
254.09352	19.1
255.10159	14.6
256.10907	11.3
257.11627	1.6
261.09265	1.4
262.09674	1.1
263.10538	1.3
265.08569	8.2
266.08914	1.4
267.10162	37.3
268.10797	3.6
269.08109	8.6
269.11694	35.6
271.09790	10.5
271.13159	9.8
279.10364	1.2
280.10773	1.3
281.08273	2.0
281.11700	8.0
282.12451	2.0
283.09686	4.9
283.13229	3.2
284.10391	8.6
285.14832	2.8
287.16440	1.5
295.13501	1.6
296.10516	1.3
298.11920	2.6
299.12769	28.8
307.13269	1.2
311.12839	9.1
313.14386	40.6
314.14893	1.2
315.16177	1.4
331.13199	1.3
341.11551	3.6
342.12531	2.3
343.13370	1.5
344.13745	1.6
355.13165	3.5
356.14032	3.1
357.14804	6.5
359.12650	1.7
369.14966	1.7
370.15848	1.6
373.14279	3.3
383.12399	1.2
384.13547	1.7
385.14304	3.7
386.15369	1.4
387.16022	1.7
397.14420	2.2
401.13681	6.1
403.15451	1.3
415.15280	2.4
416.16055	1.6
420.97095	1.2
433.14810	1.1
459.15924	1.5
463.15244	4.5
469.21130	1.2
475.19040	1.3
477.16916	3.7
478.17163	1.4
491.14728	12.1
492.19559	2.4
493.20172	2.4
497.19205	5.2
505.16455	4.6
507.21918	8.6
508.21735	1.5
519.17993	1.5
521.19531	23.5
525.22992	1.7
535.21136	26.6
536.21851	7.1
539.16418	1.4
539.24286	9.9
543.23804	2.6
549.22375	1.7
552.21191	4.9
567.23743	100.0
568.24268	5.4
585.24786	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	585.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19325	48.6
69.19729	15.2
69.82803	8.4
80.63054	7.5
98.23430	18.7
132.86453	8.3
176.92267	9.2
348.32712	12.3
495.17688	14.7
584.55981	15.8
585.27979	100.0
585.39185	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96812	0.2
55.05502	0.4
67.05511	0.7
68.82320	0.3
69.03425	0.5
69.07070	0.4
69.25029	1.5
79.05483	0.7
81.03442	0.7
81.07079	1.1
85.02905	1.0
91.05521	0.6
93.07045	0.8
95.04987	0.7
95.08613	0.7
97.10155	0.4
101.02409	0.3
105.07069	0.8
109.02903	0.8
109.06490	0.3
109.10165	0.5
111.08044	0.4
121.06559	0.5
121.10136	0.5
122.09723	0.6
123.11737	0.4
125.09592	0.3
127.03926	0.3
133.06555	0.3
133.10110	0.5
135.08224	0.3
137.05875	0.4
139.07600	0.3
147.11707	0.3
160.11201	0.4
168.99536	0.4
185.04239	0.5
191.10612	0.4
201.03619	0.4
203.05293	0.9
259.07974	1.4
274.17380	0.6
301.14383	0.5
331.09998	0.9
335.18344	0.4
337.21011	0.3
349.20013	0.9
423.23660	2.0
457.20428	3.8
471.22012	2.5
497.23456	4.4
567.28577	0.6
585.28815	100.0
586.29291	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3251
Annotation	Caracurine V
Peak:m/z	Relative Intensity
51.40862	0.3
55.01869	0.4
55.05514	0.8
57.03439	0.7
67.05506	1.9
69.03452	0.4
69.07083	1.0
69.30852	1.6
71.04969	0.8
78.20080	0.3
79.05497	2.1
81.03410	2.4
81.07063	1.7
83.04992	0.7
83.08607	0.4
85.02921	0.6
91.05489	1.8
93.07054	1.8
95.04990	1.2
95.08629	1.0
97.02911	0.4
97.06541	0.9
105.07059	1.1
107.08610	1.0
109.02832	0.6
109.06559	0.8
109.10169	1.0
111.57990	0.4
119.08620	0.7
121.10157	1.9
123.08050	0.5
124.03861	0.3
126.93335	0.4
129.07077	0.6
131.08607	1.2
133.10201	0.7
139.11234	0.4
145.10187	0.5
147.11736	1.0
147.87617	0.4
149.09633	1.4
157.10202	0.7
163.01778	0.4
175.11235	0.8
193.12273	1.1
204.13802	0.6
215.80138	0.4
225.10974	0.4
233.11555	0.8
236.11469	0.4
251.12621	1.4
253.90898	0.3
260.16562	0.6
267.16034	1.2
269.13632	3.7
281.13577	0.4
283.15158	11.2
307.15295	0.9
325.16324	2.8
339.17825	6.3
411.19861	0.4
541.30109	1.6
567.31439	3.6
585.32550	100.0
586.32861	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	585.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46131	17.9
71.08627	7.1
96.52678	5.3
113.70100	6.4
168.98833	6.0
196.46820	5.9
293.52695	5.7
311.29578	7.8
584.55725	15.2
585.37555	100.0
585.56165	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	586.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01867	0.7
55.93727	0.4
61.02923	0.6
69.03415	2.2
69.47227	0.6
69.47560	1.4
70.06582	0.8
73.02929	0.6
76.91776	0.4
77.03948	0.6
79.05492	0.7
81.03423	1.4
85.02899	9.5
86.09692	0.7
91.03970	0.4
91.05476	5.6
93.07047	6.5
95.04958	1.7
97.02872	2.9
99.04457	0.6
103.05473	3.8
105.04509	0.9
107.04257	0.7
107.04954	8.8
108.05703	0.8
109.02839	0.8
119.04917	1.2
121.06503	53.0
122.16087	0.4
123.04517	0.4
123.08073	3.1
127.03895	2.3
133.06491	1.2
136.05167	2.1
137.05960	2.4
139.07541	1.1
145.04968	3.2
151.07536	56.1
151.21167	0.4
152.07861	0.8
160.05301	0.4
161.05882	0.5
163.06023	0.5
163.07500	0.5
175.07515	2.6
217.08327	0.6
227.10751	1.3
229.08432	0.6
245.11726	100.0
246.11998	1.9
257.11670	1.7
269.11737	7.5
280.90222	0.5
281.11746	0.9
282.07523	0.5
285.11124	0.6
287.12796	1.7
311.12738	6.0
323.12747	1.8
335.12744	0.9
341.14243	0.5
353.13773	1.8
371.14917	5.4
389.16052	0.6
586.42249	0.7
587.08667	0.5
610.62183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01875	0.8
57.03435	1.2
61.02916	1.5
69.03433	4.4
73.02927	0.9
77.03933	0.5
79.05502	3.3
81.03410	1.2
83.04988	0.5
85.02906	18.2
87.04498	1.0
91.03950	1.3
91.05480	7.4
93.07055	0.6
95.04991	1.0
97.02905	5.4
99.04474	1.0
101.13854	0.6
103.05466	2.6
105.07034	100.0
106.07420	1.2
109.02884	1.7
121.05768	0.8
121.06490	4.0
125.06028	0.6
127.03914	4.2
145.04971	7.5
148.39644	0.6
149.05972	2.2
153.05490	1.9
160.51157	0.6
163.06007	1.8
167.07039	17.7
180.08603	0.8
181.09988	0.6
199.11206	1.8
209.09668	2.0
212.40826	0.6
227.10587	3.0
245.11739	92.6
246.12024	2.3
246.14691	0.6
262.99783	0.5
320.18579	4.1
338.19678	0.8
371.14865	1.0
438.47247	0.5
542.82880	0.5
586.24365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01870	1.4
57.03415	1.0
61.02922	1.9
65.03940	1.1
67.42374	0.6
69.03443	3.5
69.34742	3.0
70.06586	1.0
73.02909	0.7
75.04457	0.7
77.03937	0.9
79.05489	2.2
81.03418	1.3
85.02905	14.8
91.03949	0.8
91.05475	10.2
93.03399	2.0
93.07050	5.2
95.04983	3.4
95.08615	1.9
97.02882	4.4
97.06526	1.0
98.22694	1.2
99.04448	1.2
103.05470	16.2
105.03378	1.2
105.04507	1.4
105.07030	7.5
106.04164	6.4
107.04945	13.5
108.05738	0.7
109.02879	1.8
109.06516	2.0
111.04469	0.7
115.05444	1.7
119.04961	6.2
121.06503	71.0
123.04435	1.5
123.08074	3.4
124.05231	0.8
125.05992	2.6
127.03930	2.5
129.06956	1.5
131.04927	36.7
132.05687	0.6
133.06485	6.9
134.03636	1.1
137.05966	7.1
139.07558	1.6
143.06018	0.8
145.04948	5.9
145.06450	1.0
147.04402	2.2
147.08020	1.4
148.05183	1.1
149.05981	12.5
151.07539	63.3
152.07841	0.8
153.05473	1.0
153.09100	2.4
157.06427	1.0
159.08066	2.0
160.05170	1.1
161.05983	17.6
162.06737	2.0
163.06052	2.3
163.07530	29.0
165.05467	0.8
167.07043	14.5
172.05212	1.8
173.05931	0.9
175.07547	4.6
175.08859	0.7
177.05473	8.2
179.07010	3.2
180.08768	1.1
180.33971	0.7
181.08604	5.8
187.07535	6.6
189.09074	0.8
190.06282	1.4
191.07024	3.6
192.07841	1.0
193.08549	1.2
199.07513	1.1
205.08609	9.3
207.53943	0.7
209.08076	31.8
217.08621	4.5
227.10602	2.0
235.09624	5.0
245.11734	100.0
246.12079	2.0
249.09084	1.1
254.40053	0.7
261.09241	1.0
269.11740	1.8
281.11719	0.9
287.12671	1.0
293.11728	0.9
311.12747	4.4
319.17343	0.9
320.17792	0.8
321.11182	1.5
330.02713	0.7
341.13812	3.0
353.13785	3.3
359.15054	1.3
371.14828	6.5
389.15836	1.3
427.93460	0.6
446.09857	0.7
563.07111	0.7
586.29150	1.1
606.54742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01870	3.1
55.05495	1.1
61.02924	1.3
64.35885	1.1
65.03942	3.5
67.05512	2.9
68.05037	1.4
69.03421	3.8
69.07066	1.1
70.06623	1.0
71.04987	3.2
71.46539	1.0
75.04478	4.2
75.08164	1.1
78.04715	1.5
79.05491	3.3
80.05003	4.9
81.03407	2.5
81.07061	3.5
85.02904	12.6
89.03930	1.1
89.06043	1.7
91.05476	11.4
93.03397	11.1
93.07034	8.4
95.04979	7.0
95.08593	1.8
97.02916	3.6
97.06534	3.1
103.05457	8.4
105.01798	1.1
105.04534	1.2
105.07027	7.5
106.04170	30.9
107.04990	2.9
107.08595	1.6
109.02850	1.5
109.06535	4.7
110.09627	1.0
115.03973	1.6
117.03383	1.5
119.04964	3.3
119.06013	1.0
121.06503	52.4
122.09666	5.8
123.04443	2.1
123.08096	2.6
123.11633	0.9
124.11253	1.4
125.05997	7.8
127.03896	2.9
131.04939	3.5
133.02853	5.8
133.06477	6.1
134.03622	3.9
137.05971	5.3
138.06743	1.4
139.07541	3.1
140.10687	18.0
141.11079	1.0
141.12755	3.6
142.12286	5.1
145.04976	2.0
147.04439	2.8
148.05219	2.7
149.05984	53.5
151.07539	19.6
153.05508	2.5
153.09085	13.5
158.11768	16.8
159.13873	1.2
161.05989	10.4
162.12831	1.1
163.07549	3.2
165.05457	2.4
166.06271	1.4
175.07477	1.3
177.05484	25.9
179.07121	1.8
181.08604	21.6
191.07030	14.0
193.08562	7.5
194.20009	1.2
204.13832	2.1
209.08089	100.0
210.08308	1.4
214.15900	1.3
227.12773	1.5
245.11723	27.1
260.16351	6.4
261.16516	1.3
269.11722	1.1
278.17532	1.5
311.12796	3.3
318.16779	1.0
320.17041	11.5
371.14914	2.2
406.22202	1.5
424.23303	4.5
517.26068	2.4
586.28113	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	586.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03948	1.5
55.01653	0.3
55.01873	3.5
57.03429	0.8
61.02921	1.0
65.03930	2.4
67.05502	0.9
68.99799	0.7
69.03426	5.4
71.04989	0.8
73.02911	0.6
75.04476	3.7
77.03935	1.1
78.04708	2.5
79.05495	2.9
81.03413	4.4
81.07062	0.3
82.04192	0.3
84.08148	0.3
85.02901	9.0
85.06543	0.3
87.00819	2.1
89.03894	1.4
89.06019	1.3
91.05476	12.3
91.06064	0.6
93.03403	11.7
93.07041	6.2
95.04423	0.4
95.04967	4.8
97.02880	2.7
97.06515	2.7
99.04448	1.5
103.05460	7.5
105.01875	1.1
105.03394	0.7
105.04529	1.7
105.06464	0.2
105.07026	8.5
106.04168	28.6
107.04995	1.6
107.08588	0.6
108.05766	0.4
109.02873	3.1
109.06516	0.7
111.04406	0.5
115.05447	1.3
117.01852	0.5
117.03370	1.0
118.04171	1.0
119.04939	2.5
120.05755	0.4
120.08161	0.3
121.06501	30.1
122.07317	0.4
122.09687	0.4
123.04414	0.7
123.08041	1.1
124.05212	0.4
125.05981	8.7
127.03900	4.2
129.01775	0.4
131.04936	2.8
131.05940	0.5
133.02838	4.2
133.06477	7.4
134.03624	4.1
134.09633	0.9
135.04430	1.0
135.08026	0.6
137.05969	5.3
138.06755	1.3
139.07524	3.2
143.06046	0.6
145.02818	0.9
145.04945	1.2
146.03572	0.4
146.09688	0.4
147.04427	2.3
148.05197	2.9
148.11218	0.6
149.05974	47.5
149.12015	0.5
150.06491	0.4
150.09126	0.7
151.03864	0.7
151.07533	2.6
152.08289	1.0
152.10730	0.4
153.05469	1.7
153.09094	13.0
159.02844	1.9
160.11160	0.4
161.05972	15.2
162.03125	0.3
162.09082	0.3
163.03957	1.4
163.07518	3.6
165.05511	1.4
165.09036	0.4
166.06215	1.3
167.07005	1.2
168.10161	0.5
172.11189	0.4
176.04630	0.4
176.10732	0.3
177.05464	23.3
177.08824	0.7
179.07008	1.1
181.08588	21.9
182.11745	1.3
185.99013	0.3
186.04669	0.3
190.12288	0.4
191.07021	11.7
192.10202	0.4
193.08591	13.4
200.14384	0.4
202.12273	0.5
209.08076	100.0
210.08398	1.8
217.08595	0.3
218.11662	0.4
220.13327	1.1
222.14876	1.3
228.13820	0.3
231.05151	0.3
231.28304	0.3
232.13231	0.6
233.14038	0.4
245.11664	1.7
246.12448	0.4
246.14873	3.9
256.16916	0.4
258.94348	0.3
262.57346	0.3
264.15979	2.9
266.13809	0.7
268.64001	0.3
274.17807	0.5
292.18942	1.4
294.16931	1.4
302.17493	0.5
320.18542	20.7
321.18814	0.3
338.19595	37.5
339.12228	0.6
339.19812	0.7
341.13824	0.8
357.13412	0.6
371.14478	0.4
542.25775	1.1
586.24695	12.8
587.24683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16554	1.3
54.83764	1.8
69.03428	3.3
69.17913	6.5
69.18311	3.2
71.32523	1.5
73.16115	1.5
77.95953	1.4
85.02905	5.7
87.00838	2.6
91.05485	16.8
93.07046	7.7
97.02917	3.1
99.04484	2.1
105.06998	2.3
107.04975	2.0
109.02921	2.6
109.06517	5.6
119.06073	4.0
121.06510	100.0
127.03930	4.6
135.08066	2.6
136.08820	2.6
137.05974	2.2
145.04918	1.9
151.07591	1.8
178.24509	1.4
197.70354	1.4
220.13281	1.5
225.12804	4.3
243.13857	8.4
257.15356	29.1
267.13849	5.7
285.14847	35.7
303.15958	15.1
304.24002	1.5
461.50287	1.8
586.29102	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	586.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
60.78031	1.5
69.03426	3.2
69.14540	11.3
70.06581	2.0
73.02901	1.8
79.05486	2.1
81.03422	3.4
85.02893	8.5
87.00827	3.1
91.05485	17.6
93.07050	9.8
97.02886	5.7
99.04462	1.9
105.01852	3.1
105.07054	2.0
109.02885	2.4
109.06503	6.2
119.06041	3.7
121.06507	100.0
127.03883	8.1
135.08031	4.1
136.08823	6.1
137.05963	2.1
149.09586	2.3
159.08046	2.6
193.10159	2.0
209.09589	1.9
210.10287	2.7
225.12747	6.7
227.10602	2.2
239.14288	3.5
243.13800	12.0
257.15366	63.0
258.15796	2.4
267.13785	7.0
285.14856	43.2
285.95602	1.7
303.15878	27.6
318.16876	2.0
586.28369	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	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08565	1.5
59.90229	1.4
62.43386	1.4
69.03432	4.5
69.33488	7.9
70.06613	1.7
81.03412	2.2
84.08134	1.7
84.72074	1.5
85.02895	7.3
91.05479	18.3
93.07042	9.1
97.02909	3.6
99.04453	1.9
105.01881	3.0
105.06997	3.1
107.04986	3.0
109.02871	2.4
109.06520	6.3
119.06071	4.3
121.06506	100.0
127.03954	4.7
135.08038	1.8
136.08740	2.3
137.05995	2.1
145.04944	2.6
147.08096	2.2
149.09610	1.9
159.34727	1.4
172.82764	1.7
173.70561	1.8
224.11911	1.7
225.12784	4.0
243.13878	9.7
257.15369	30.0
267.13849	7.1
285.14856	41.8
303.15948	20.5
511.24826	1.6
586.29639	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	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01864	1.6
56.05882	0.6
57.03424	2.3
60.06003	0.7
61.02915	3.1
61.34425	0.7
67.05508	0.7
69.03429	9.3
69.30312	3.6
70.06571	0.9
71.04343	0.8
71.04988	1.5
73.02895	1.6
79.05471	1.2
81.03423	4.1
81.39599	0.7
82.87030	0.7
85.02905	38.7
87.04456	1.3
87.59982	0.6
91.03988	1.3
91.05478	6.7
93.07050	6.8
93.26004	0.7
95.04946	2.2
95.08586	1.1
97.02892	10.3
97.04955	0.6
99.04449	1.6
103.05454	5.7
105.07021	1.5
106.00890	0.7
107.04952	10.1
108.05682	1.0
109.02885	3.7
109.10170	0.7
115.03909	1.2
119.04940	1.7
121.06504	49.1
123.08054	4.4
127.03921	7.9
133.06483	2.8
136.05225	1.5
137.05969	3.5
138.96271	0.7
143.14716	0.6
145.04947	11.5
147.11586	0.6
151.07547	53.8
157.71536	0.7
161.06006	1.2
163.03903	1.4
163.06027	3.6
168.10268	1.0
175.07538	3.4
182.11827	1.2
204.13560	0.8
205.08577	1.6
220.11714	1.5
227.10680	1.1
245.11734	100.0
246.12016	1.7
257.11734	1.9
260.64676	0.7
269.11707	7.8
275.12747	1.2
277.10529	0.7
281.11749	1.5
287.12869	4.5
289.09103	0.8
311.12808	4.7
318.16940	2.9
319.17407	1.7
320.17670	3.2
323.12622	1.4
335.12891	1.1
336.18011	2.1
337.18277	1.2
338.18759	3.6
353.13834	2.1
371.14722	4.3
406.26022	0.9
424.23190	3.5
586.22345	4.5
586.30865	2.6
586.39313	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	586.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05529	0.5
57.03439	0.9
58.06606	0.6
61.02927	1.1
63.04046	0.4
67.05502	0.6
69.03432	10.5
69.03806	0.7
70.06596	4.4
70.72031	0.3
71.04992	1.1
71.45702	0.5
72.08154	0.7
73.02922	1.3
79.05502	0.9
80.05016	0.6
80.07463	0.3
81.03428	1.8
81.07059	1.1
84.08145	1.9
85.02905	5.0
86.09728	0.4
86.25559	0.3
87.04469	1.4
91.03932	0.5
91.05493	1.4
93.07047	1.2
94.06601	0.5
95.04927	0.5
95.08621	0.9
96.08147	0.8
97.02902	2.1
97.08885	0.7
99.04463	0.7
105.07036	1.1
107.04956	0.4
107.08607	0.4
109.02908	1.0
109.06542	1.8
110.09687	1.0
111.08115	0.6
116.86244	0.4
117.07049	0.5
120.08139	0.7
121.06516	1.5
122.09689	1.4
123.04488	0.9
123.08032	0.6
124.11223	0.4
125.05988	1.0
127.03933	0.8
127.07535	0.6
133.06456	0.9
134.09666	1.0
135.04413	1.8
136.11253	1.2
137.06036	1.2
139.07553	1.1
143.11931	0.4
148.11197	0.6
149.05910	0.5
150.09103	0.8
151.07529	0.5
152.10779	0.7
153.05493	1.4
160.01085	0.4
162.12794	1.3
164.14377	0.4
167.07097	0.7
168.10266	0.7
182.11795	3.4
184.13322	2.1
190.12219	0.4
196.13280	0.5
200.12695	0.6
206.15298	0.4
210.14760	0.5
219.10201	1.2
227.07147	0.5
227.10709	3.0
236.16444	2.9
237.11224	2.6
240.15944	1.0
247.90262	0.4
250.14420	0.7
252.16095	0.4
260.16370	0.7
264.19620	0.5
274.18106	0.6
274.58670	0.4
278.17587	2.8
280.19186	0.9
296.18695	1.1
308.18625	2.6
320.18781	0.7
326.19742	1.6
332.18469	2.2
334.20151	0.7
336.48734	0.4
338.19662	0.9
360.21805	0.5
362.19760	0.7
380.20648	3.6
385.15237	0.4
386.19751	0.6
404.20456	0.4
406.22232	22.0
407.22549	0.7
424.23312	17.2
425.23764	0.9
466.24167	0.8
494.24316	0.5
526.26807	0.4
568.27576	4.2
586.28546	100.0
587.28784	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	586.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05529	0.5
57.03439	0.9
58.06606	0.6
61.02927	1.1
63.04046	0.4
67.05502	0.6
69.03432	10.5
69.03806	0.7
70.06596	4.4
70.72031	0.3
71.04992	1.1
71.45702	0.5
72.08154	0.7
73.02922	1.3
79.05502	0.9
80.05016	0.6
80.07463	0.3
81.03428	1.8
81.07059	1.1
84.08145	1.9
85.02905	5.0
86.09728	0.4
86.25559	0.3
87.04469	1.4
91.03932	0.5
91.05493	1.4
93.07047	1.2
94.06601	0.5
95.04927	0.5
95.08621	0.9
96.08147	0.8
97.02902	2.1
97.08885	0.7
99.04463	0.7
105.07036	1.1
107.04956	0.4
107.08607	0.4
109.02908	1.0
109.06542	1.8
110.09687	1.0
111.08115	0.6
116.86244	0.4
117.07049	0.5
120.08139	0.7
121.06516	1.5
122.09689	1.4
123.04488	0.9
123.08032	0.6
124.11223	0.4
125.05988	1.0
127.03933	0.8
127.07535	0.6
133.06456	0.9
134.09666	1.0
135.04413	1.8
136.11253	1.2
137.06036	1.2
139.07553	1.1
143.11931	0.4
148.11197	0.6
149.05910	0.5
150.09103	0.8
151.07529	0.5
152.10779	0.7
153.05493	1.4
160.01085	0.4
162.12794	1.3
164.14377	0.4
167.07097	0.7
168.10266	0.7
182.11795	3.4
184.13322	2.1
190.12219	0.4
196.13280	0.5
200.12695	0.6
206.15298	0.4
210.14760	0.5
219.10201	1.2
227.07147	0.5
227.10709	3.0
236.16444	2.9
237.11224	2.6
240.15944	1.0
247.90262	0.4
250.14420	0.7
252.16095	0.4
260.16370	0.7
264.19620	0.5
274.18106	0.6
274.58670	0.4
278.17587	2.8
280.19186	0.9
296.18695	1.1
308.18625	2.6
320.18781	0.7
326.19742	1.6
332.18469	2.2
334.20151	0.7
336.48734	0.4
338.19662	0.9
360.21805	0.5
362.19760	0.7
380.20648	3.6
385.15237	0.4
386.19751	0.6
404.20456	0.4
406.22232	22.0
407.22549	0.7
424.23312	17.2
425.23764	0.9
466.24167	0.8
494.24316	0.5
526.26807	0.4
568.27576	4.2
586.28546	100.0
587.28784	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	586.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78107	0.9
55.01872	1.4
55.05500	3.1
55.13270	0.8
56.05027	1.9
57.03423	2.0
61.02908	1.8
67.05486	2.0
68.05032	4.2
69.03433	6.6
69.07056	2.8
69.44669	2.6
71.04989	1.9
72.34036	1.0
79.05486	3.5
80.04548	1.8
80.05018	34.1
81.03403	3.4
81.07057	4.3
85.02901	7.5
86.06055	1.2
87.04474	1.3
91.05452	0.8
94.06557	2.2
95.04965	2.0
95.08598	1.7
96.08121	3.1
97.02895	4.9
97.06521	2.4
100.07611	5.7
105.07031	1.4
107.08578	1.5
109.02889	2.0
109.06521	17.1
109.10168	0.8
112.11248	5.6
115.03904	0.9
119.04971	0.8
121.10149	0.8
122.09665	33.8
124.11237	1.5
124.98419	0.8
127.03964	4.3
130.06544	1.6
131.07234	0.8
137.05963	1.8
138.12791	0.8
140.10701	100.0
141.10999	2.3
142.12292	2.1
144.08057	0.9
145.04889	1.1
145.10103	0.7
148.07596	0.8
153.05484	1.7
155.07057	0.9
156.10219	1.5
156.13838	3.5
158.11763	98.5
158.22318	0.8
159.12117	1.7
166.08635	3.1
173.01857	0.8
186.12813	5.7
187.13652	1.0
188.14388	3.8
214.15918	7.7
214.53523	0.7
216.27910	0.8
224.69446	0.8
227.16507	1.2
237.11220	5.0
237.70778	0.8
239.28149	0.9
242.15437	7.1
243.16209	1.4
249.68901	0.8
260.16470	21.9
261.16840	1.3
320.17029	68.7
321.17380	1.8
342.20599	5.3
370.20148	1.2
378.22800	1.4
388.21124	6.7
406.22330	7.5
407.22192	1.1
424.23300	30.2
425.23627	1.3
568.27515	4.7
569.27509	1.2
586.28540	26.8
587.28687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01871	0.2
55.05502	0.5
56.05027	0.2
57.03434	1.7
57.07063	0.5
58.06593	0.5
68.05026	3.0
69.03428	0.8
70.06584	0.3
71.08629	3.6
79.05485	0.3
81.03423	0.2
81.07048	1.6
82.06594	0.3
84.08156	0.2
85.02898	0.6
86.06067	3.2
87.04459	0.2
91.05480	0.4
93.07057	0.2
95.08578	0.2
97.02861	0.2
97.06573	0.2
98.09670	0.8
99.04453	0.3
99.08083	2.1
100.07642	0.3
105.07046	0.2
107.08604	0.2
109.06541	1.0
114.12051	0.3
114.12807	4.3
122.09668	0.4
123.04517	0.2
124.11230	15.9
125.11541	0.2
127.03920	0.4
131.08571	0.2
133.06570	0.2
135.08110	0.2
137.05954	1.5
142.12271	100.0
143.12602	1.2
145.04922	0.2
145.06496	0.2
147.08060	0.2
147.76877	0.2
148.07576	0.2
149.09676	0.3
156.13846	0.2
159.08047	0.3
167.07062	0.5
183.06543	0.2
186.12808	0.4
187.07570	0.3
188.14287	0.3
204.04201	0.2
209.15314	0.3
214.15865	0.3
215.06944	0.4
217.08653	0.2
219.06525	0.5
219.10083	0.2
233.08090	2.7
237.11201	0.5
242.15439	0.4
247.09718	0.6
260.16434	1.4
265.10721	4.0
283.11798	1.1
304.17532	0.3
342.20764	0.3
388.21075	0.3
406.22208	1.1
424.17798	0.3
424.23181	2.4
425.23508	0.3
465.17896	0.2
568.26050	0.2
586.19873	0.3
586.28546	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	586.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71450	1.4
52.40138	1.3
52.55968	1.3
55.05507	8.9
57.03435	2.2
65.03945	1.7
67.05505	3.5
69.03436	5.8
69.07069	5.7
69.52187	6.2
70.06594	1.7
71.04958	3.4
72.04536	1.6
73.01057	1.6
79.05491	3.7
81.03448	1.8
81.07058	7.6
83.04972	7.7
83.08622	9.8
84.98818	1.3
85.02904	17.2
85.06509	2.5
91.05463	4.6
93.07030	15.1
95.04970	26.2
95.08592	5.2
97.02882	3.4
97.06554	8.2
99.04455	6.2
105.07059	8.1
107.08586	20.9
109.06528	11.5
109.10162	11.6
111.08038	2.2
115.07569	6.8
119.08566	8.5
120.98667	1.4
121.10149	47.1
123.08054	2.8
123.11734	2.8
125.09596	3.8
127.03908	2.9
127.07507	1.9
131.08563	4.9
133.10133	22.1
135.11684	5.2
137.05980	2.8
145.04990	4.2
145.10130	2.9
147.11736	8.1
149.13261	5.1
151.11169	9.6
153.09126	11.8
163.06052	2.3
163.14856	12.4
165.12666	2.1
167.14307	10.7
173.13274	17.8
175.14816	6.3
191.14325	27.4
209.15367	100.0
210.15793	2.1
227.16425	35.7
371.20975	1.8
406.22125	2.6
424.23349	3.0
482.37247	1.7
586.28589	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	586.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01206	0.6
52.66268	0.5
53.03938	5.5
55.01875	9.2
55.05517	1.4
57.03442	5.8
60.84581	0.5
61.02926	5.9
67.05511	5.7
68.99781	3.2
69.03429	37.4
69.07062	1.3
69.59439	0.9
71.01360	1.0
71.04999	3.5
73.02910	5.7
75.59591	0.6
79.05492	3.5
81.03416	25.4
81.07059	9.2
83.01337	0.9
83.08624	0.9
85.02904	100.0
87.00827	36.2
87.04479	1.4
91.03949	1.2
91.05476	2.3
93.07039	7.3
95.08608	8.9
97.02894	30.1
97.10170	1.7
99.04450	13.6
101.02383	0.8
103.03878	0.6
105.01866	58.5
105.07038	3.8
107.08607	4.3
108.04485	2.1
109.02876	30.7
109.10161	7.2
110.03163	0.6
115.03956	1.2
117.01826	2.9
119.08579	3.9
121.10145	7.5
123.11707	4.6
126.05554	1.3
127.03915	68.3
128.04259	0.6
129.01840	4.9
131.08554	1.0
133.10141	3.8
135.11673	5.5
138.39038	0.6
139.11194	0.8
145.04959	26.8
147.02931	3.2
147.11707	5.4
149.13268	9.0
159.02893	15.5
159.11691	0.8
161.13268	7.8
163.14839	1.3
167.10745	0.7
171.74832	0.6
173.13376	0.9
175.14827	9.2
177.03935	1.3
181.12206	0.6
185.13261	0.6
187.14864	1.7
189.03926	3.2
193.15933	1.3
201.16499	2.7
213.03955	4.7
230.06636	0.7
231.04990	26.5
237.31401	0.6
241.19717	0.7
248.07710	2.0
249.06078	11.5
255.21046	0.8
257.22644	43.9
257.65616	0.6
258.22934	2.0
266.08566	1.4
267.21173	0.9
275.23706	31.0
276.24112	1.2
285.22223	2.2
298.70697	0.6
303.23151	12.8
303.26480	0.9
321.24365	4.4
341.24838	1.0
365.24808	1.2
383.25726	3.3
402.28354	0.6
443.27866	0.8
487.27057	4.6
505.27902	6.4
523.28467	1.3
551.28632	6.7
552.28937	0.8
586.32373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25437	1.0
54.08245	0.9
60.21028	1.0
66.99878	1.0
67.05516	2.3
69.03455	1.0
69.07075	18.4
71.42572	1.2
81.07054	1.6
83.08620	1.1
86.09714	100.0
87.08115	27.1
87.10007	1.2
91.05503	1.4
93.07041	1.4
95.08635	1.1
97.06541	8.1
104.72188	1.2
107.08625	1.2
109.10243	1.0
123.32188	1.1
126.09174	4.6
128.10667	0.9
132.10207	2.3
154.15858	1.7
168.27138	0.9
173.15396	16.9
173.16750	1.7
182.15384	13.3
200.13641	1.1
200.16469	29.4
210.14888	6.2
214.33661	1.0
228.15962	10.3
229.14372	5.4
238.40918	1.1
314.23154	4.9
324.21732	2.9
342.22775	25.9
342.26703	1.9
343.22876	1.3
360.23740	1.0
427.31906	5.8
438.64255	1.1
455.30972	2.0
456.29599	14.1
523.37592	1.7
541.38470	16.9
569.37671	4.3
587.39606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.07074	35.2
59.05002	1.4
69.07068	1.9
71.08632	27.9
73.02906	1.1
73.06556	8.8
83.08633	1.5
85.10185	21.5
86.69572	0.7
87.03997	1.2
87.04450	7.1
89.06030	100.0
91.07590	1.2
97.10153	3.8
99.11726	3.6
107.07090	1.9
113.13268	1.5
117.09129	6.0
130.08629	3.2
131.07024	2.6
133.08604	50.1
134.08931	1.2
135.10150	1.6
155.17943	5.1
161.11707	1.2
169.08351	0.9
177.11217	22.4
199.20557	4.1
221.13904	4.9
239.15132	1.1
240.23044	1.0
243.23212	10.6
283.17557	1.5
287.25784	6.5
327.20187	2.0
341.10098	1.4
371.22836	1.5
415.25308	5.2
569.42468	10.2
586.45721	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	587.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.76109	0.8
55.78633	0.9
57.03441	1.2
58.36696	1.0
61.02920	1.0
61.94156	0.9
69.03429	7.8
70.06563	2.4
70.96320	0.9
71.04996	1.2
73.02923	1.6
73.40604	0.9
81.03426	5.5
85.02902	17.7
86.09718	2.7
87.00824	2.8
87.04471	2.9
91.05486	1.7
97.02903	6.5
99.04443	2.8
103.03937	2.9
105.01853	1.8
109.02866	5.1
115.03941	5.8
122.03615	1.2
125.12554	1.1
127.03913	13.5
137.05972	14.7
145.03902	1.5
145.04976	9.0
151.03835	1.5
151.07526	2.3
159.02882	2.4
159.36830	0.9
161.05940	2.2
163.07582	1.4
169.06512	1.3
172.05173	1.2
175.07515	1.8
187.07581	3.5
189.07045	3.2
190.07764	2.8
191.08565	2.4
199.07561	2.1
201.06908	1.9
202.07779	1.8
203.08536	1.8
205.06570	1.2
207.08104	2.7
217.06548	3.1
218.07309	9.4
219.08058	6.2
223.07475	1.1
229.06494	9.7
229.08516	1.8
230.07257	3.2
231.04935	2.2
231.07974	1.8
232.08778	1.4
233.09612	3.5
234.02324	1.1
234.06781	4.9
235.07515	7.7
243.08253	1.4
245.06021	2.5
246.06763	16.3
247.07582	8.3
249.09148	7.8
250.09860	4.3
251.07030	1.6
251.10689	3.5
257.05908	5.0
258.06818	2.4
259.07620	5.3
260.08340	2.4
261.09128	30.4
262.06219	3.4
262.09595	1.7
263.07034	8.8
265.08597	2.4
266.09491	2.1
271.07816	1.6
273.05548	1.8
273.08926	1.6
274.06256	11.6
275.06967	5.6
275.10336	2.0
277.08591	16.3
278.09344	10.6
279.06635	1.6
279.10120	4.8
281.12006	1.3
288.07858	1.7
289.08591	30.4
290.09348	9.4
291.06583	4.7
291.10178	3.0
293.11816	2.4
294.08896	6.8
303.10089	2.8
306.08798	16.6
307.09625	3.8
309.11194	28.5
310.11630	1.6
311.12833	10.0
320.10730	1.2
321.11197	100.0
322.11569	2.3
323.12738	2.4
333.11252	2.1
335.12616	3.0
339.12277	4.5
353.13815	3.6
365.13611	1.4
375.12613	1.7
401.13635	4.8
419.14926	2.2
466.41650	0.9
495.48340	1.3
551.19049	2.8
554.36029	1.2
587.30011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
57.56246	0.5
65.03938	0.6
67.05517	0.8
69.79152	1.1
69.79524	0.9
77.03919	0.7
78.04709	0.9
79.05479	1.4
91.05479	11.5
93.07038	1.4
95.04964	2.1
95.08604	0.5
105.04513	1.3
105.07013	2.3
106.04171	0.7
107.05006	0.5
108.05753	1.4
109.06538	0.6
119.04938	1.1
121.02897	1.1
121.06507	32.4
123.07155	0.7
123.08065	13.0
125.05988	0.5
135.04410	1.1
135.08023	1.8
137.05963	1.4
138.06755	0.6
139.07539	9.2
141.06967	0.8
147.08044	0.5
149.06010	0.8
149.07074	3.2
150.06755	8.8
151.07539	100.0
152.07915	2.0
153.05508	0.9
154.07813	1.1
155.08553	0.8
158.07259	1.8
163.07648	0.6
164.08301	0.9
165.06926	0.7
165.09114	10.9
166.20375	0.5
167.07072	0.8
169.10129	1.3
179.07094	0.9
179.08556	2.1
181.06479	0.6
181.10158	0.7
182.07237	1.8
183.07979	2.4
186.06750	2.0
191.06969	0.6
193.10178	0.5
196.08813	0.5
197.09583	3.2
201.09053	0.5
207.08041	0.6
209.09680	1.4
210.06842	1.3
210.10471	0.7
211.07538	1.8
211.11137	1.1
212.08298	0.5
213.09123	0.6
214.09856	0.5
215.10654	2.7
223.07413	0.5
224.08264	1.7
225.09094	6.6
226.09819	1.3
227.07001	1.2
227.10715	0.8
228.07785	4.8
229.12218	0.6
237.09302	0.8
238.09938	0.7
239.06949	0.6
239.10718	2.6
240.66214	0.5
241.08577	1.8
241.12259	1.1
242.09373	2.3
243.10165	26.2
252.07686	0.7
253.08591	34.4
254.09242	2.0
255.06429	2.2
255.10159	1.8
257.11697	3.2
267.10141	6.3
268.10968	0.6
269.08652	0.8
269.11719	7.0
270.08865	6.9
270.12427	2.1
271.09619	0.6
271.13303	4.1
285.11209	37.8
286.11935	2.4
301.14310	5.7
302.15112	54.4
303.15656	2.1
317.13763	1.1
403.15680	0.8
417.17261	0.8
537.22266	0.7
555.23901	7.1
556.24017	0.7
587.26526	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	587.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03946	0.4
55.01875	0.5
55.05521	0.2
58.43549	0.2
63.32975	0.2
65.03937	0.9
67.05499	0.9
69.03402	0.6
69.43121	1.0
74.21350	0.3
77.03938	0.7
78.04703	0.9
79.05486	1.4
81.03450	0.2
83.01331	0.3
85.02890	0.3
88.71989	0.2
91.05479	11.5
91.39540	0.2
93.07045	1.2
95.04964	2.3
95.08603	1.2
98.11638	0.2
103.05466	0.7
103.77112	0.2
105.04528	1.3
105.07028	2.7
106.04180	1.0
107.04950	0.2
108.05734	2.0
109.06503	0.6
117.06998	0.3
119.04930	1.3
119.06053	0.3
120.05781	0.2
121.06504	33.9
121.42052	0.2
122.06843	0.3
123.04366	0.3
123.08068	13.3
125.05984	1.0
128.06273	0.2
129.06969	0.3
135.04411	2.4
135.08043	2.8
136.05142	0.4
137.05949	1.5
138.06789	2.0
139.07539	9.4
141.07010	0.6
143.08554	0.3
145.06467	0.6
149.05959	1.1
149.07106	2.8
150.06755	11.0
151.07539	100.0
152.07933	1.6
153.05455	3.2
153.06946	0.9
154.05792	0.2
154.07771	0.9
155.08510	1.4
157.06442	0.7
158.07259	2.3
161.05995	1.0
163.07547	0.8
164.08305	0.7
165.07100	1.2
165.09106	11.8
166.07747	0.4
167.07022	1.0
167.08533	0.6
168.05727	0.4
169.06516	0.3
169.10126	1.2
171.08156	0.5
172.08823	0.8
173.09560	0.3
175.07553	0.6
177.05501	0.8
178.07797	0.9
179.07083	0.4
179.08559	2.1
181.06422	0.7
181.08589	0.2
181.10135	0.7
182.07260	1.2
183.08073	3.2
185.05986	1.0
185.09579	1.3
186.06749	2.5
191.08588	0.4
192.09299	0.3
193.10141	0.9
194.07338	0.3
195.08070	0.8
196.08815	0.9
197.09612	4.5
198.10368	0.3
199.07593	0.7
199.11182	0.5
200.08298	1.4
201.05177	0.2
203.10699	0.3
207.08052	1.1
208.08798	1.8
209.06087	0.2
209.09599	3.8
210.06776	1.1
210.10347	0.9
211.07550	3.2
211.10995	1.0
212.08284	1.1
213.05450	0.6
213.09134	0.8
213.12840	0.3
214.09839	0.7
215.10675	3.1
219.08168	0.3
221.09615	0.5
222.06685	0.4
223.07590	0.9
223.11156	1.5
224.08322	2.8
225.09100	8.3
225.12740	0.6
226.09851	4.4
227.06987	1.9
227.10588	3.1
228.07806	6.1
229.12108	0.4
235.07524	0.5
237.05469	0.4
237.09052	2.3
238.06348	0.5
238.09889	2.2
239.06969	1.0
239.10623	4.3
239.12875	0.3
240.07703	0.7
240.11476	1.3
241.08606	2.5
241.12228	5.6
242.09366	3.7
242.12982	5.2
243.10155	31.6
244.10515	0.9
245.11777	0.3
251.06969	0.4
251.10841	0.3
252.07826	1.0
252.11420	0.6
253.08594	35.7
254.09320	4.4
255.06873	1.3
255.10155	8.4
256.07578	0.3
256.10858	1.7
257.11761	3.2
258.12228	0.3
261.11218	0.3
267.10153	18.3
268.10767	1.8
269.08746	0.4
269.11713	19.6
270.08893	5.8
270.12469	25.1
271.09650	2.3
271.13235	8.8
272.13647	0.3
273.15005	0.4
281.11844	0.4
283.13272	0.6
285.11200	34.5
286.11899	4.0
287.12808	1.0
299.12808	1.7
301.14328	22.7
302.15106	29.4
303.15591	1.7
317.13928	1.6
389.13403	0.3
399.15762	0.3
417.16754	0.8
555.23846	4.1
556.23944	0.5
569.25500	0.4
572.23962	0.3
587.26154	2.3
587.34106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85247	0.3
65.03960	0.5
67.05521	0.5
71.11172	0.6
79.05479	1.1
91.05468	4.1
93.06998	0.6
95.04977	0.6
103.05463	0.7
105.04462	0.4
105.07040	2.1
107.04951	0.6
108.05750	0.3
119.04981	0.4
121.06512	9.3
123.08057	2.6
127.46538	0.3
131.04924	1.0
135.04425	1.5
135.08052	1.4
137.05936	0.5
138.06815	0.3
139.07509	1.5
141.06956	0.3
149.06000	0.4
149.07120	0.4
150.06763	9.0
151.07556	17.0
152.07953	0.4
153.05386	0.3
153.07056	0.4
161.05934	0.7
165.05690	0.3
165.06999	1.3
165.09132	10.9
166.07787	1.2
167.07072	0.7
167.08543	0.4
175.07582	1.7
178.07755	0.7
179.08588	0.6
180.09296	0.5
181.10094	2.3
183.08049	1.2
185.05911	0.4
185.09560	0.4
189.09207	0.5
191.08565	0.4
193.10149	0.9
194.07285	0.9
195.08060	2.6
196.08838	1.2
197.09589	0.9
201.09175	0.4
207.07953	0.4
207.11621	0.4
208.08887	1.2
209.09627	5.6
210.06792	0.5
210.10399	3.4
211.07535	4.7
211.11058	0.8
212.08322	1.1
213.09087	0.8
213.12772	0.8
220.08861	0.5
221.05962	0.5
221.09656	0.6
223.07561	0.7
223.11250	0.9
224.08324	1.1
224.11836	0.4
225.09088	3.9
225.12794	0.6
226.09889	11.6
227.10551	2.0
228.07846	0.5
230.92090	0.4
236.08365	0.7
237.09062	3.5
237.10785	0.3
238.09906	3.3
239.07037	1.9
239.10614	2.4
240.07779	0.5
240.11371	0.9
241.08534	1.3
241.12248	7.8
242.09416	0.5
243.10118	1.1
251.10793	1.2
252.11455	2.9
253.08578	5.0
253.12309	1.5
254.09392	6.7
254.12985	2.2
255.10165	2.2
255.13400	0.8
256.10876	0.4
257.11740	0.8
265.12091	0.4
267.10239	2.5
267.13803	13.1
268.10898	1.1
268.14133	0.7
269.11728	100.0
270.12225	5.5
271.10382	0.3
271.13293	1.8
272.10464	0.8
273.11273	0.3
281.11768	0.6
283.13217	0.7
284.10391	1.1
284.13531	0.4
285.11246	3.3
287.12833	1.2
288.13635	0.6
297.11273	0.7
299.12781	5.5
300.13589	0.6
301.14276	0.7
302.15070	3.3
315.12219	1.4
317.14029	0.4
318.17059	0.8
319.17377	1.0
373.14725	0.4
387.12155	1.1
401.13889	1.5
403.19263	5.6
417.17032	5.2
431.18427	1.3
458.42697	0.4
460.06152	0.3
551.24329	0.7
569.25537	3.3
571.27216	0.5
587.26239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31648	0.9
61.14006	0.8
70.44638	0.7
71.45528	0.8
79.05492	7.6
91.05472	2.9
92.46252	0.9
95.04970	2.0
103.05459	5.7
105.04535	1.1
105.07029	15.8
107.04955	0.9
109.06476	0.9
120.05737	2.6
121.06513	6.0
123.08065	3.2
135.03465	1.4
135.04411	17.2
135.08023	4.6
137.05934	1.0
139.07567	1.3
150.06761	100.0
151.07564	14.8
153.07011	0.9
157.06476	1.7
165.09122	89.5
166.09464	1.4
167.07028	2.8
175.07616	1.0
178.07765	1.0
179.08514	2.4
181.08560	1.2
182.07266	1.6
183.08099	1.0
197.09616	3.4
209.09598	1.0
210.06689	1.8
211.07484	1.0
223.07483	1.3
224.08287	1.4
225.09071	14.8
226.09537	0.9
235.07573	1.5
237.05450	1.0
237.09132	1.0
239.10800	1.8
241.08536	1.0
251.06966	3.2
252.07845	2.3
253.08594	95.6
254.09218	7.8
255.10097	1.1
264.07730	1.0
265.08661	2.2
267.10165	50.9
268.10556	2.3
269.11661	3.6
270.12222	1.1
271.48553	0.9
279.10123	1.2
281.11508	0.9
285.11359	1.3
293.11746	1.3
301.14270	1.3
303.15906	1.7
356.14285	1.6
369.11551	1.1
381.14771	2.1
384.13516	2.6
399.16016	4.8
403.15311	1.2
417.16931	9.9
431.18515	1.8
555.23920	17.7
556.24060	1.5
569.24628	3.5
587.26202	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	587.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
61.40176	0.7
63.43985	0.7
65.07071	0.6
78.23013	0.7
79.05493	6.6
91.05481	3.2
91.89645	0.7
93.07032	0.7
95.04937	2.1
95.08591	1.0
103.05473	5.1
104.13347	0.7
105.07028	14.5
107.04919	1.7
109.06463	1.6
112.46216	0.8
120.05733	1.9
121.02866	1.1
121.06498	6.2
123.08044	2.3
127.03919	0.8
135.04410	17.9
135.08018	5.3
137.05945	1.2
139.07568	1.1
150.06752	93.7
151.07552	14.0
165.09109	86.5
166.09459	1.6
177.09154	0.8
179.08536	2.4
181.08588	1.7
182.07253	1.7
183.07988	0.8
196.08693	1.0
197.09624	3.7
207.08005	0.7
209.09680	0.9
210.06676	1.1
211.07524	1.3
223.07492	0.9
225.09116	10.7
235.07494	1.1
238.06331	1.2
239.06671	0.7
239.10336	1.0
243.09897	0.7
249.09081	1.1
250.10028	0.7
251.06972	3.3
252.07690	1.0
253.08582	100.0
254.09241	4.5
256.10599	0.7
265.08627	2.1
267.10251	3.3
269.11774	1.4
270.08972	1.4
271.12985	0.8
279.10196	0.9
285.11273	4.7
303.15836	1.3
316.26352	0.8
341.11749	1.7
353.15317	1.2
355.13406	1.1
356.14014	1.7
366.12576	0.9
369.10910	1.0
371.16290	1.1
381.15091	1.7
382.15384	0.9
384.13428	2.9
385.14505	0.8
399.15796	4.3
401.13608	1.0
402.14413	1.2
403.15179	2.1
417.16980	11.5
418.17184	1.1
425.15005	0.8
449.19223	1.5
537.22919	1.1
555.23608	16.1
556.24316	0.9
569.24310	1.4
587.26233	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	587.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53133	3.6
63.90830	3.4
68.96441	4.8
77.83023	3.5
130.41286	3.7
139.05026	3.8
144.33643	3.7
161.30811	4.0
375.51718	4.6
489.55859	5.1
492.58066	4.3
513.11676	3.9
527.17584	4.9
587.29730	100.0
587.38800	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	587.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27244	2.6
53.03947	2.3
67.05501	3.1
67.84254	2.3
71.13410	3.0
79.05500	8.4
81.07034	3.7
91.05483	25.1
93.07061	5.4
95.04965	4.7
95.08597	3.4
98.22623	5.6
103.05475	3.9
105.07019	26.1
107.08582	2.9
109.06501	3.9
113.28236	2.3
120.05695	5.3
121.04058	2.6
121.06511	54.6
123.08066	6.9
132.10211	6.9
135.04463	4.1
135.08069	78.6
136.08334	2.8
137.06038	4.2
137.09610	6.2
137.69533	2.8
139.05048	11.6
139.07542	5.8
146.08902	2.9
149.09618	3.1
150.06781	26.4
150.66449	2.6
151.07545	68.9
154.37567	3.0
163.07565	3.5
165.09120	100.0
166.09521	3.2
179.10718	3.2
189.09132	2.8
195.23120	2.6
200.14101	2.9
208.08925	3.1
210.10278	2.5
211.07623	3.1
211.11186	3.7
213.36899	2.8
223.11235	3.9
224.12003	3.8
225.09065	3.8
238.09966	5.6
239.10687	6.3
240.11356	3.7
241.12315	6.3
253.12323	6.0
254.09450	4.0
255.10335	3.3
255.13640	3.4
256.10980	5.0
268.10959	5.1
269.11758	19.4
270.12411	7.4
271.13281	32.6
272.13968	3.2
277.21594	4.0
283.13168	12.7
284.14191	3.2
285.11414	4.5
285.14764	10.4
286.15637	4.6
299.12967	3.7
300.13565	8.2
301.14294	10.4
302.15231	5.2
315.15881	20.1
316.16669	48.5
504.68839	3.4
569.12549	5.5
569.29578	12.8
587.37872	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	588.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01864	3.2
55.05500	1.1
57.03437	6.7
61.02925	10.1
61.31104	0.7
67.05485	0.9
69.03427	31.5
69.03806	1.7
69.30062	3.9
70.06577	4.4
71.01363	1.2
71.04987	2.8
72.08135	4.2
73.02915	8.5
79.67934	0.8
81.03419	24.1
83.01321	1.0
83.04963	1.0
84.04488	1.3
84.08159	1.3
85.02903	100.0
85.69331	0.8
86.03220	1.0
86.09701	7.0
87.04466	26.5
91.03942	5.9
95.04953	0.8
97.02890	39.5
98.22691	1.8
99.04443	7.3
99.84832	0.7
101.02367	2.0
103.03950	3.9
108.04441	1.1
108.33682	0.9
109.02874	22.7
110.07162	1.4
111.04465	1.3
114.10293	3.3
115.03927	97.9
120.47195	1.0
127.03915	65.0
128.04218	0.8
129.10286	1.0
133.04964	32.3
137.05933	1.0
139.03903	0.9
145.04958	52.1
151.03900	1.4
157.04979	2.0
161.06024	0.8
163.06020	10.3
169.04988	2.5
173.04462	0.7
175.06065	1.2
175.12006	0.9
181.04956	1.6
187.05991	2.4
201.12370	1.2
205.05098	0.9
205.07042	1.6
217.06998	1.7
224.94530	0.9
229.14340	2.8
241.07050	8.3
248.29591	0.8
253.07039	1.6
256.72119	0.8
259.08109	19.2
271.08255	0.9
277.09186	46.0
283.08041	1.8
287.07751	0.7
301.09219	2.2
303.16925	2.4
316.15601	4.6
319.10153	1.0
328.18533	1.3
367.10229	2.3
385.11316	2.5
399.24030	0.9
403.12234	1.8
414.19049	9.6
416.26407	2.3
421.13342	2.0
481.46826	0.9
499.14200	1.3
517.15179	2.6
535.16559	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	588.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53372	0.4
65.54209	0.5
71.46591	0.5
71.57932	0.6
79.05473	0.9
82.61890	0.5
83.11531	0.5
87.14896	0.4
89.41713	0.5
91.05466	2.5
95.04959	0.8
105.07024	1.0
107.04926	0.7
108.58900	0.4
121.06496	5.2
122.06846	0.5
123.08067	1.3
131.04932	1.3
135.08040	3.2
136.08389	0.5
150.06731	3.1
151.07549	5.3
153.05466	1.0
165.07027	1.1
165.09091	3.1
166.07782	1.1
166.09387	0.5
175.07533	0.8
181.04678	0.5
181.10170	1.7
194.07256	1.2
195.07938	1.1
195.25758	0.5
208.08751	1.1
209.09589	3.7
210.10411	2.9
211.07457	3.3
212.08411	0.9
213.12622	0.5
222.23079	0.6
223.07510	0.6
223.11113	0.5
225.09149	1.7
226.09860	10.0
227.10492	1.4
229.08635	0.9
237.09064	0.8
238.09854	3.3
239.07082	1.3
239.10570	0.6
240.11569	0.5
241.08577	0.6
241.12227	6.5
247.49910	0.5
251.10658	0.5
252.11371	0.8
254.09377	6.2
254.12187	0.7
254.12856	0.6
255.09796	0.5
255.13737	0.7
267.10336	0.6
269.11722	100.0
270.12091	4.4
283.13232	1.0
317.13882	0.9
345.62314	0.6
385.55923	0.5
566.84772	0.6
571.26807	0.6
588.26288	0.6
612.38611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.3
69.88007	0.5
71.99253	0.2
79.05452	0.2
84.38299	0.2
85.86648	0.2
91.05487	0.9
98.23380	0.4
103.05476	0.4
105.07020	0.6
106.07322	0.2
120.88882	0.2
121.06492	1.0
121.42509	0.2
128.78024	0.2
131.04897	0.6
135.08061	1.5
136.05191	0.8
136.08420	0.3
137.06027	0.3
150.06770	0.8
151.07552	1.4
155.08592	0.2
159.82152	0.2
165.07054	0.6
165.09134	1.0
166.07809	1.0
167.08571	0.3
170.48750	0.2
175.07588	0.8
178.07825	0.3
179.08536	0.3
180.02885	0.2
180.09367	0.3
181.06519	0.3
181.10127	2.1
183.08044	0.5
189.09117	0.2
191.08540	0.6
193.10126	0.3
194.07269	0.7
195.08066	1.1
196.08733	0.3
197.09396	0.3
198.10426	0.4
201.09135	0.2
208.08844	0.7
209.09593	3.7
210.10382	2.5
211.07542	2.7
212.08307	0.6
213.09087	0.4
213.12766	0.5
223.07529	0.3
223.11166	0.5
225.09087	1.7
226.09874	9.8
227.10567	1.3
237.09015	1.0
238.09862	2.6
239.06934	1.2
239.10692	0.6
240.11479	0.8
241.08517	0.5
241.12228	6.3
251.10698	0.6
252.11447	0.4
253.08589	0.9
253.12335	0.3
254.09383	6.3
255.10010	0.7
255.13728	0.3
267.10196	0.3
268.10904	0.9
269.11713	100.0
270.12137	3.1
271.13098	0.6
285.11349	0.2
299.12823	0.9
342.71167	0.3
494.52496	0.2
588.28912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71388	0.2
56.05022	0.5
58.06593	0.4
59.77109	0.2
60.07872	0.4
60.08167	6.3
67.05508	0.3
71.07369	3.4
71.42686	0.3
79.05486	0.3
81.07049	0.5
86.09709	30.6
91.05494	0.3
93.07035	0.4
98.98466	3.3
102.79491	0.2
104.10750	2.8
125.00009	20.8
184.07347	100.0
185.07683	0.7
396.98874	0.3
570.36066	1.2
588.36731	4.4
589.35699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01865	3.0
55.05515	28.9
55.22310	2.4
57.03443	21.0
57.07086	14.1
62.50620	2.4
67.05507	16.8
69.07069	31.3
69.15114	12.7
71.04990	4.4
71.08643	11.8
72.53539	2.0
75.04395	2.0
79.05496	12.6
80.21716	2.2
81.03420	100.0
81.07070	19.5
83.04976	5.9
83.08619	46.4
85.10192	4.5
91.05479	18.2
93.07028	12.6
95.04965	28.3
95.08626	8.5
97.02892	2.6
97.06511	5.7
97.10159	22.9
105.07044	14.0
107.04955	5.4
107.08640	5.7
109.06536	4.4
109.10165	6.4
111.04459	4.1
111.08090	6.6
111.11692	5.9
119.08606	14.1
121.06516	2.9
121.10155	10.0
129.07039	11.1
131.08592	9.3
133.06471	3.5
133.10057	5.0
135.11729	3.4
145.10127	4.4
147.08060	3.9
147.11688	10.1
149.09604	4.0
157.10136	10.3
163.11189	2.7
175.11186	7.3
193.12282	28.2
205.21628	2.1
267.15918	91.6
311.25821	53.6
312.25992	2.9
313.27380	3.1
398.21915	2.6
502.21246	2.5
503.37292	31.5
504.37869	2.3
538.54840	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	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84187	2.2
55.05510	10.5
56.37335	1.8
57.03428	7.1
57.07070	7.0
67.05499	10.1
69.07069	17.1
69.29298	9.9
71.08615	8.0
77.90647	1.9
79.05485	8.5
81.03425	44.0
81.07059	10.6
83.04974	3.1
83.08620	22.8
91.05471	6.3
93.07034	4.9
95.04966	14.3
95.08604	4.7
97.10163	8.9
98.23446	3.7
99.28228	2.4
102.09097	2.0
105.07024	5.3
107.08575	2.9
109.10150	2.0
110.91993	2.0
111.04448	3.1
111.08109	4.5
111.11677	2.4
111.57203	2.0
118.71667	2.2
119.08553	6.3
121.10159	4.4
125.09679	2.4
126.78420	2.5
129.07010	5.0
131.08582	5.7
133.06430	2.3
133.10078	4.1
142.07767	2.4
147.20885	1.9
157.10210	2.4
171.58838	2.1
193.12230	19.2
204.56537	2.0
267.15930	100.0
268.16147	5.8
311.22324	3.6
311.25793	50.9
312.26193	3.1
313.27393	6.6
503.37350	52.1
521.38007	2.7
588.38361	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.2
53.00293	0.2
53.03952	0.5
55.01868	0.7
55.05506	0.2
55.15694	0.2
57.03431	0.3
63.14591	0.1
65.03943	3.4
67.05500	0.5
68.99786	0.7
69.03435	1.3
69.07068	0.7
69.59019	0.5
70.10062	0.2
71.04980	0.3
73.02928	0.4
77.03918	0.3
79.05488	0.8
81.03413	1.4
81.07056	0.9
82.79762	0.2
83.04977	0.3
83.08643	0.2
85.02909	2.4
85.06567	0.2
87.00837	0.8
87.04471	0.2
91.05497	0.6
93.03414	0.5
93.07046	0.7
95.01325	0.4
95.04964	0.7
95.08629	0.6
97.02911	0.9
97.06535	0.4
99.04470	0.4
103.05466	1.2
105.01864	0.7
105.03404	0.2
105.07016	0.6
107.08610	0.6
109.02887	1.7
109.06472	0.2
109.10141	0.5
111.04461	0.5
111.11755	0.2
114.04364	0.2
115.03954	0.2
115.05432	1.1
117.07030	0.4
119.04929	0.3
119.08582	0.2
121.02877	2.7
121.06464	0.2
121.10149	0.4
123.04425	0.5
125.02383	0.2
127.03913	1.9
131.04935	2.1
131.08603	0.4
133.02850	0.5
133.10123	0.3
135.04422	19.7
135.11684	0.2
138.12897	0.3
139.03912	1.3
143.04933	0.7
145.04912	0.4
145.06508	0.6
145.10114	0.7
147.04413	0.5
147.11694	0.2
149.02350	100.0
149.03369	4.4
150.02705	1.4
151.03899	1.3
151.07533	0.2
159.02951	0.3
159.04439	0.6
159.07820	0.2
159.11743	0.4
161.06000	1.0
161.09688	0.2
167.10701	0.2
173.06010	1.7
173.09628	0.7
175.07542	0.3
177.50903	0.2
187.03940	0.4
187.11195	0.3
189.05530	1.0
189.06978	0.2
189.12624	0.2
190.07800	0.3
191.08574	0.9
194.47838	0.2
197.96773	0.2
201.05498	0.8
203.07027	1.0
205.12250	0.3
215.10666	0.3
219.06175	1.1
219.08372	1.3
224.12802	0.2
231.05009	0.4
233.11746	0.2
242.13823	0.2
244.15540	0.2
247.07564	1.1
249.09077	0.8
251.06982	0.2
265.08591	0.3
269.22678	0.3
272.47980	0.2
275.06940	0.4
277.08624	1.4
281.07990	0.3
287.23724	0.3
289.05374	0.3
293.08029	0.2
295.09695	0.6
295.22699	0.2
307.09665	2.5
311.09128	0.3
323.09155	11.2
323.25681	0.4
324.09534	0.4
325.10709	5.2
341.10190	2.2
388.21448	0.9
396.21149	0.6
588.27972	0.3
589.23993	1.5
589.32153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1684
Annotation	Aurasperone E
Peak:m/z	Relative Intensity
52.90718	0.3
53.09854	0.4
53.17854	0.3
56.46019	0.3
58.92905	0.4
67.01553	0.4
69.12049	2.3
72.94905	0.3
74.53123	0.3
74.99849	0.3
80.23854	0.4
109.23759	0.4
116.10203	0.4
117.80961	0.3
119.04969	0.5
172.04968	0.8
173.41225	0.3
177.05542	0.9
182.18765	0.4
216.04010	1.1
234.04012	0.4
314.02725	0.4
376.85031	0.5
388.56982	0.4
395.11136	1.2
448.12482	0.4
475.13043	0.4
589.16772	100.0
590.17133	7.9
599.55634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00703	1.5
58.43505	1.6
71.46407	1.8
79.05477	2.8
81.07078	3.3
91.05486	7.2
93.07056	2.3
94.04210	2.2
95.05020	1.7
103.05497	4.1
103.82352	1.5
105.03394	11.7
105.07041	15.8
105.24136	1.6
107.04932	1.9
109.06521	6.4
115.05437	3.4
116.36112	1.5
121.06504	19.2
122.03649	6.2
123.08117	1.9
131.04932	1.7
133.06502	7.0
135.08069	16.9
137.05977	88.3
143.06094	1.6
146.03651	4.0
151.07552	6.2
160.13574	1.7
161.05986	54.1
165.09145	2.2
175.07530	3.0
184.04985	19.6
187.07579	1.7
191.08641	1.7
199.07539	20.0
200.08075	1.9
202.07724	9.2
203.08536	19.1
219.08087	4.5
220.08771	7.6
230.07248	1.9
231.08046	32.5
232.08821	5.1
235.11166	2.7
247.07532	3.5
248.08310	16.4
249.08932	2.2
258.06790	2.7
259.07547	28.6
260.08273	22.2
261.08978	3.7
263.10687	17.2
265.08383	1.8
265.75259	1.6
269.11609	2.0
272.50085	1.7
275.07053	3.0
276.07822	13.2
277.08594	3.6
283.13297	4.3
284.13739	2.2
285.14764	2.5
291.10153	100.0
292.10855	7.7
293.08191	3.4
301.14157	2.4
308.10385	3.0
314.09109	1.9
323.12790	82.8
324.13123	3.3
345.10974	51.7
346.11591	2.1
386.13525	2.6
426.11639	1.7
467.14862	12.2
553.25714	4.4
589.36664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81019	0.4
53.03963	1.2
55.01894	0.5
55.22249	0.4
65.03958	1.9
67.05530	0.9
70.56950	1.0
77.03966	1.8
77.74260	0.5
78.04709	2.4
79.05495	4.7
83.01372	0.5
91.05483	23.0
93.07048	1.2
95.04975	4.9
95.95638	0.5
103.05449	3.9
105.03432	1.3
105.04519	3.0
105.07032	8.4
106.04202	1.5
107.04993	0.9
108.05749	1.7
109.06521	0.8
119.05008	1.0
119.05984	0.6
120.05737	1.2
121.06512	49.3
122.06800	0.9
123.08080	12.5
133.06534	0.6
135.04419	9.5
135.08063	3.7
136.05219	3.0
137.06001	1.4
139.07553	9.9
149.06062	0.9
149.07112	2.5
150.05833	0.7
150.06764	55.9
151.07549	100.0
152.07909	2.2
163.03986	0.5
165.09122	78.8
166.09486	1.5
167.07047	0.6
175.07549	0.8
177.05440	0.5
177.09140	0.9
183.07951	0.5
189.09219	1.1
191.10716	0.5
201.09270	0.6
211.07466	0.7
212.08344	0.9
213.09149	0.9
217.08607	3.5
225.05623	0.6
225.09013	1.3
226.09470	0.5
227.07048	0.7
227.10620	1.0
228.07712	0.6
240.07764	1.0
241.08566	1.4
243.10164	2.1
244.10498	1.8
245.10713	1.0
253.04956	1.4
253.08519	1.6
254.09058	1.9
255.10191	3.9
256.10706	0.9
257.11530	0.9
267.10211	1.0
268.07190	0.9
268.10431	0.8
269.08035	1.4
269.11575	1.4
270.12387	0.6
271.09528	1.2
271.12582	0.8
273.07544	1.1
273.11081	0.7
281.08139	0.7
282.08813	0.5
283.09634	2.0
285.11096	2.2
286.11639	1.7
287.09137	1.3
287.12216	1.1
288.12631	0.6
299.09079	0.8
299.12708	0.8
301.10892	0.8
301.14243	2.6
302.14590	1.5
303.14929	0.9
343.11606	0.6
401.13364	0.7
415.14758	0.6
419.14655	1.7
433.16180	1.4
437.16022	3.6
451.17407	1.4
543.23486	0.6
553.21844	0.7
571.23175	3.4
589.23273	1.0
589.31445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69677	0.8
55.00914	0.6
56.96502	13.6
56.96801	1.4
71.45820	0.7
74.97545	0.7
77.80657	0.8
80.15470	0.8
88.88712	0.7
92.98563	0.9
98.91849	3.3
110.97574	0.9
131.00026	0.9
135.37167	0.9
141.02132	1.0
149.01166	1.2
151.76994	0.7
155.03734	1.5
171.03247	1.8
173.04781	2.1
177.18185	0.8
189.04333	1.1
234.01700	0.7
245.58342	0.7
277.18314	1.0
279.16354	1.8
281.17914	0.8
283.15839	1.7
285.18759	1.6
297.17261	1.5
307.19382	18.3
311.19098	1.9
315.19839	0.9
319.19339	4.1
325.20480	43.8
326.20941	1.5
331.19315	1.2
333.20947	19.2
335.22638	5.6
337.20401	7.2
337.23901	1.1
343.21896	4.0
345.20950	5.5
348.22009	2.9
351.17661	1.1
351.22031	29.6
353.23743	4.0
363.22028	60.3
364.22290	2.1
365.23550	3.2
369.23096	1.9
374.23599	3.5
377.23441	4.0
381.23093	100.0
382.23492	3.0
383.24557	2.4
395.24625	5.0
399.24161	80.4
400.24435	3.3
404.24786	8.9
407.24786	1.1
413.25534	2.0
417.25409	2.4
418.26010	1.6
422.25839	10.7
423.25970	0.9
425.25894	1.8
437.25729	97.2
438.25980	4.3
439.27441	1.6
455.26785	96.8
456.27115	4.2
473.27914	11.2
478.28406	11.5
479.28656	1.0
496.29373	11.4
529.30493	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	589.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	14.4
67.05481	1.8
69.92173	5.3
84.60480	1.7
85.45589	1.9
88.16830	1.7
92.91299	1.6
96.20061	1.8
98.91943	17.9
149.01149	2.1
153.02299	1.7
158.15663	2.0
171.03296	2.7
173.04924	1.7
184.07986	1.5
190.37187	1.9
249.13240	1.6
269.14215	2.7
279.16306	1.8
297.17474	2.5
307.19351	19.2
319.19412	5.1
325.20465	40.4
325.24069	3.3
333.20935	22.8
335.22519	7.7
337.20392	9.0
343.21536	2.4
345.20862	7.8
348.22079	4.1
351.22049	32.2
351.28793	1.9
353.23486	3.7
363.22052	62.1
374.23798	3.8
377.23642	4.5
381.23090	100.0
382.23465	4.9
395.24710	6.8
399.24179	89.1
400.24387	3.0
404.24573	9.7
417.25473	2.4
422.25659	11.6
437.25754	98.4
438.25977	2.7
439.27591	2.3
455.26776	99.0
456.26880	3.9
473.28024	12.5
478.28275	10.9
496.29425	11.8
513.33417	2.7
529.30511	20.9
551.28320	3.2
581.74005	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91410	0.3
59.28301	0.3
69.17806	1.7
70.34293	0.3
73.45686	0.3
111.25049	0.3
115.77851	0.4
170.19623	0.3
179.36908	0.3
224.35974	0.3
525.62653	0.3
589.33417	100.0
590.33661	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	589.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00983	0.6
57.59286	0.6
64.81157	0.6
69.30209	2.1
69.30618	1.1
89.23313	0.7
98.23493	1.3
130.01530	0.6
228.31100	0.7
589.33441	100.0
590.33734	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	590.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04793	1.7
53.03946	3.0
55.01865	5.1
55.05504	3.9
57.03428	3.5
59.04995	1.6
61.02918	3.6
62.06099	2.9
62.29747	1.4
67.05507	6.1
67.77887	1.8
69.03062	2.8
69.03429	46.3
69.07079	6.8
69.72645	1.6
71.01357	1.7
71.04990	8.6
71.08627	5.9
71.44929	1.5
73.02917	4.4
79.05502	10.3
81.03421	16.5
81.07050	21.8
83.01347	3.5
83.04977	3.9
85.02904	27.1
85.06545	2.4
86.06068	20.3
87.04482	5.9
91.05482	8.9
93.07053	10.0
95.04955	4.7
95.08598	11.8
97.02895	15.6
97.06553	5.0
99.04478	12.8
99.08096	6.7
101.02367	3.3
103.05488	2.5
105.07034	62.8
105.07742	3.5
107.08601	9.1
109.02872	10.2
109.06522	10.5
109.10184	5.5
111.08086	5.0
115.03931	10.9
115.05431	1.5
116.10706	9.8
117.07032	11.2
119.04965	2.0
119.07339	1.7
119.08590	9.4
120.04527	1.5
120.08116	3.4
121.06505	9.5
121.10160	4.5
122.09658	1.7
123.11729	4.7
124.11230	1.9
125.06013	2.0
127.03920	26.2
129.07002	2.4
130.07851	3.2
131.08588	13.3
133.06500	13.3
133.10138	13.8
134.09637	2.8
135.08075	1.9
135.11711	3.4
137.05966	5.4
142.12291	2.1
143.07028	1.8
143.08580	6.9
143.10680	4.0
144.09335	6.8
145.04942	8.8
145.06491	7.2
145.10129	96.3
147.06885	2.5
147.08063	2.5
147.11751	4.3
148.07599	9.0
149.08351	2.8
150.09152	10.3
151.07570	3.9
152.10695	2.6
153.06897	1.9
153.12794	1.8
154.07755	2.7
155.08499	2.4
155.14354	1.8
158.07280	7.8
159.08092	6.1
159.11710	37.5
161.09647	8.1
161.13222	1.9
169.10143	5.8
170.11797	3.5
171.08180	2.1
172.08850	2.5
173.09624	42.5
175.06248	4.0
175.11176	3.7
175.14819	2.5
176.06972	7.6
176.10696	5.5
179.08672	1.5
180.10172	2.5
183.06525	2.0
183.69016	1.8
184.11240	1.6
187.11200	30.4
189.12820	2.9
191.10716	1.7
197.09666	5.6
198.11259	80.7
202.08752	3.4
204.10277	3.2
205.12247	100.0
208.11275	1.8
209.11928	1.8
215.10687	79.8
216.10358	2.4
216.12347	46.6
226.14461	2.0
228.10365	2.7
233.11722	40.7
236.10748	2.2
238.12321	1.7
244.09755	1.6
244.15448	4.2
246.11378	2.5
251.12842	6.1
254.11787	3.0
256.09775	3.9
258.11255	2.2
259.08075	2.1
260.09262	3.2
268.13470	3.4
279.16138	1.8
280.13309	2.1
282.11258	3.1
284.09219	5.2
289.25293	3.1
292.13397	1.9
294.11490	2.0
296.12698	1.8
304.13208	4.0
306.14859	4.9
307.26428	2.2
308.12784	2.1
309.13434	5.1
312.12289	2.8
314.13855	7.4
314.19595	26.8
319.11719	5.0
326.13821	2.4
332.15161	19.4
334.14441	4.6
337.12857	14.7
340.11835	2.9
354.13379	19.5
355.13861	4.1
356.14944	2.9
358.12805	25.4
359.14346	2.1
364.15390	4.6
366.17053	2.3
374.16064	3.8
382.16522	2.9
388.21414	9.3
388.71524	2.3
392.14941	3.3
394.16379	2.5
396.20972	5.0
397.21701	4.9
404.20639	2.0
410.15964	11.4
428.17038	92.6
429.17172	3.9
440.17038	2.8
446.18161	8.8
449.30814	1.7
458.17865	3.9
470.17490	1.8
474.19775	20.6
481.17099	5.2
492.20428	10.1
499.18198	10.7
572.21021	5.5
590.21283	1.9
590.28900	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	590.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01875	3.6
55.05515	3.9
62.44519	1.4
63.42596	1.4
67.05506	4.4
69.03427	8.8
69.07075	6.7
71.04973	3.3
79.05497	12.7
81.03398	7.6
81.07062	7.3
81.57384	1.4
83.04980	5.2
85.02899	6.3
85.06532	1.9
91.05476	9.8
93.07031	14.1
95.04985	8.6
95.08615	3.9
97.02914	3.2
97.06538	10.1
99.04470	5.1
100.07610	1.9
103.05487	1.9
105.07033	55.0
107.04969	10.1
107.08601	4.6
109.02900	3.2
109.06539	3.1
109.10123	2.0
111.08051	1.7
114.57812	1.4
115.03893	2.8
115.05463	3.2
117.07048	8.5
119.04916	3.3
119.08583	4.9
121.06505	39.1
121.10152	2.6
125.06026	7.9
127.03916	6.0
128.06221	2.6
129.07022	4.7
130.07782	3.5
131.04944	1.5
131.08580	10.9
133.06496	24.3
133.10126	3.2
135.08032	3.0
135.11702	2.1
137.05919	2.4
139.07596	1.9
139.49242	1.4
141.06969	2.4
143.07027	6.4
143.08537	6.9
144.09297	3.5
145.05380	2.1
145.06476	13.4
145.10130	55.8
147.07985	2.2
147.11783	2.4
149.06001	1.4
154.07776	3.2
155.08577	10.4
157.10179	1.9
158.07278	18.0
159.08076	17.2
159.11688	19.5
161.09648	3.8
163.07492	1.6
169.10120	10.3
171.08105	3.3
172.08844	4.6
173.09624	100.0
175.14847	1.5
179.08548	4.2
182.07323	2.8
187.11186	44.6
191.10695	3.1
191.80756	1.4
197.09586	17.6
205.12224	19.7
215.10683	81.1
216.10962	2.8
229.12184	1.7
233.11737	77.3
234.12186	2.4
251.12782	4.7
289.50128	1.5
319.11746	2.9
337.12781	16.9
341.14078	1.6
354.13440	2.4
355.13861	10.4
392.81927	1.5
424.40747	1.6
428.16864	5.1
481.17261	7.1
499.18130	17.1
554.58673	1.5
590.24487	2.7
603.62750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
51.51983	1.4
53.03936	1.7
55.01868	4.4
55.05512	4.0
55.54153	1.4
55.83623	1.6
57.03429	1.7
64.44009	1.6
66.29784	1.4
67.05483	5.0
69.03419	9.8
69.07064	8.2
71.05002	2.9
77.03947	1.5
77.92794	2.2
77.95768	1.8
79.05495	13.9
81.03423	5.0
81.06625	1.6
81.07059	5.7
83.04979	4.9
85.02893	4.5
91.05473	9.5
93.07043	9.6
95.04977	6.6
95.08630	3.3
97.02898	2.6
97.06525	12.2
99.04445	4.0
105.07027	41.9
107.04983	7.0
107.08601	4.9
109.02889	1.8
109.06514	3.6
115.05441	1.9
117.07018	8.7
119.08598	7.3
120.08143	1.6
121.06503	35.6
121.10130	2.1
125.05995	8.3
127.03919	4.5
128.06216	3.2
129.06989	2.9
130.07755	3.3
131.08569	11.2
133.06490	32.1
133.10147	4.0
141.07030	2.6
143.07051	8.1
143.08585	4.6
144.09286	3.5
145.04930	1.7
145.06465	9.2
145.10130	47.8
147.08057	3.4
147.11647	1.9
151.07547	5.0
155.08606	8.6
158.07249	20.2
159.08058	17.7
159.11697	21.2
161.09621	3.5
161.98253	1.7
163.11240	1.8
169.10149	9.2
171.08032	2.4
172.08836	5.9
173.09625	100.0
175.07550	5.0
179.08612	3.8
187.11182	35.2
189.12685	2.0
191.10677	4.9
197.09608	12.9
205.12234	16.1
209.53423	1.6
214.18033	5.1
215.10680	79.9
221.10277	1.7
233.11720	80.8
319.11658	2.2
329.95868	1.6
337.12796	22.5
351.00116	2.0
355.13846	20.6
364.15726	2.0
428.16769	9.0
490.26682	2.1
499.17923	8.1
590.24139	3.8
591.20172	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	590.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72454	0.8
53.03958	0.9
55.05516	3.8
56.93348	1.0
57.03443	11.0
57.07078	22.3
64.31045	1.0
67.05518	8.2
69.07077	6.2
69.22971	2.4
69.23375	3.0
71.05003	1.7
71.08639	17.8
72.67960	1.0
79.05496	5.4
81.03419	49.8
81.07056	12.2
83.04995	2.4
83.08620	14.9
85.10188	10.5
89.06039	1.3
91.05482	8.0
93.07053	4.7
95.04974	12.8
95.08607	15.4
97.02892	1.2
97.10175	4.5
105.07034	6.2
107.04939	2.3
107.08606	1.8
109.10156	6.3
110.98987	1.0
111.08089	3.6
119.08569	5.2
121.10145	2.8
123.11713	3.4
129.07063	4.7
131.08594	4.9
133.06522	2.4
133.10112	2.4
137.13319	1.0
145.10172	1.5
146.92429	1.1
147.08089	2.0
147.11691	4.7
149.09631	2.8
157.10126	6.0
163.73503	0.9
164.38611	1.0
165.12714	1.5
170.52142	1.1
175.11157	7.0
181.00734	1.2
193.12241	21.4
211.13336	1.8
228.82635	1.0
239.23686	2.5
249.14839	1.6
254.18872	1.0
257.24634	2.0
267.15927	100.0
268.16266	2.7
276.20212	1.0
283.23636	1.1
313.27377	92.6
314.27628	3.2
341.29663	1.1
454.05011	1.1
492.57623	1.2
505.38904	75.1
506.39111	4.8
527.25525	1.1
555.41522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05524	2.6
57.03454	6.9
57.07079	17.9
67.05507	9.2
69.07072	2.9
69.22858	6.6
69.23255	4.7
71.08655	15.3
79.05508	5.6
81.03425	38.4
81.07080	11.4
83.05002	3.1
83.08621	9.8
85.10204	5.3
91.05486	8.4
93.07048	2.2
95.04977	9.5
95.08602	10.1
105.07043	4.1
109.10171	6.2
111.08096	2.1
119.08578	4.3
129.07034	3.7
138.76088	2.1
147.11674	3.3
157.10152	4.5
175.11212	4.2
193.12291	15.3
228.97095	2.1
239.33760	2.1
267.15945	90.4
313.23752	4.9
313.27380	100.0
314.27661	3.0
351.82092	2.3
367.35309	1.9
405.39038	2.1
429.28586	2.3
505.38901	79.5
506.39197	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	591.2777
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
58.02880	1.0
62.32048	0.9
70.90919	1.1
164.54587	1.1
230.75443	1.0
505.27786	1.5
547.29010	8.0
570.67987	1.3
591.27734	100.0
592.27979	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	591.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90936	0.5
57.15608	0.4
63.64032	0.4
67.05523	0.6
69.03440	0.5
70.06587	1.2
71.69443	0.4
98.06104	0.4
105.06984	0.4
137.09587	1.1
138.12848	0.5
140.07051	0.6
147.08064	0.7
154.12294	0.6
164.14284	0.4
177.12798	0.5
181.04976	0.8
205.15927	0.9
214.63284	0.4
232.16905	0.6
233.15324	0.9
250.17982	1.6
258.22620	0.4
267.23300	0.5
278.17542	1.8
296.18567	100.0
297.18811	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86268	1.4
55.05495	1.2
57.07081	4.7
67.05495	2.5
69.41888	2.3
69.42294	3.6
70.06594	6.0
71.08633	2.1
79.05489	3.0
81.03397	1.7
81.07065	2.1
82.44977	1.1
88.07635	8.7
91.05499	2.4
93.07059	1.6
99.59547	1.1
102.09190	1.9
105.07044	3.3
106.08670	4.2
107.08602	2.2
119.08601	1.4
121.02762	1.6
121.39492	1.1
133.10120	1.4
175.05472	1.2
227.12921	2.1
231.11975	1.3
256.26407	2.8
274.27405	100.0
275.27783	3.4
389.13046	1.2
449.08832	1.4
504.18393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.01881	0.7
57.03453	1.2
61.02921	2.0
61.48346	0.3
65.60454	0.3
67.52569	0.3
69.03426	6.8
69.03798	0.4
69.31531	1.2
70.06599	4.0
71.05008	0.5
73.02923	1.1
81.03425	2.8
81.07074	0.5
84.08169	0.5
85.02910	9.2
87.04501	1.0
91.05495	0.7
93.07069	1.3
94.06572	0.5
95.05002	0.9
97.02894	5.7
99.04468	0.8
101.02400	0.4
105.07090	0.4
109.02882	1.7
110.06045	1.8
111.04436	0.5
111.06815	1.9
116.72359	0.3
120.08134	0.4
123.04466	1.2
127.03941	1.2
131.08589	0.4
132.08064	0.4
133.08865	0.4
134.09676	1.1
135.62712	0.3
136.07616	0.3
137.05981	0.4
138.09145	1.2
139.06308	1.3
145.05002	0.5
146.09735	0.5
150.09117	1.6
151.09990	1.1
163.07509	0.5
164.07143	0.6
165.07974	0.4
166.08627	2.1
172.11191	0.4
173.05980	0.8
175.09964	0.4
178.08675	1.2
178.12311	0.5
182.09435	0.3
183.08025	0.4
184.11238	0.7
186.09161	0.4
186.12772	0.5
196.11304	0.5
197.12006	0.6
198.12790	7.0
199.13557	0.6
200.10741	1.7
200.14461	0.4
201.11569	0.6
202.12315	1.5
204.10197	0.5
210.12720	0.4
214.08713	0.6
214.12305	0.9
215.13065	1.1
216.10266	1.1
216.13800	0.4
217.10918	0.4
218.11765	1.1
219.12607	0.4
224.14346	0.7
228.10234	0.5
228.13678	0.5
229.10925	1.7
230.11754	3.3
236.14413	0.7
238.12346	0.6
240.10231	0.7
241.10956	4.6
242.11758	35.4
243.12393	2.6
244.13403	0.9
246.11246	0.7
247.12131	0.6
248.12907	0.6
250.15974	0.9
252.13849	0.8
254.11728	0.5
258.11243	3.6
259.11960	2.6
260.12939	1.2
267.12524	0.7
268.13324	1.0
269.14096	0.5
270.14886	2.1
272.12814	0.8
274.10666	0.8
275.11517	7.0
276.12283	0.9
280.13422	0.9
284.12943	0.4
286.14417	0.8
290.14014	0.4
294.14819	2.4
295.15616	0.5
297.13620	0.4
298.14346	1.2
310.14420	0.7
312.12595	0.7
312.15997	2.6
314.13919	1.1
315.14661	0.6
316.15335	0.7
320.16495	0.5
332.14932	15.2
338.13879	4.0
338.17462	0.7
342.17065	2.3
356.14911	14.8
357.15274	0.8
366.16916	1.7
368.18640	1.3
384.18045	8.8
386.15497	2.4
386.19775	0.9
394.16428	1.6
412.17548	25.7
413.17847	1.2
418.20270	1.6
430.18607	100.0
431.19012	5.7
464.20877	0.8
556.88702	0.4
592.23877	22.5
593.24078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03857	0.8
55.01796	1.3
55.47055	0.6
56.26652	0.7
57.03349	0.7
67.05372	2.9
68.04912	0.8
69.03291	5.3
69.03698	1.3
69.80649	2.1
70.06512	0.8
73.02791	0.7
74.47313	0.6
79.05396	0.8
80.04864	5.5
80.05376	1.2
81.03323	1.2
81.05664	1.7
82.06427	7.7
82.06973	1.7
83.04871	1.5
83.07214	9.3
83.07744	1.6
85.02752	2.8
87.04346	0.7
91.05361	1.6
91.05886	0.8
93.06900	1.9
94.06434	1.1
95.08447	8.9
95.09124	1.7
97.02732	9.3
97.03422	1.3
98.05890	3.5
99.06672	4.1
105.06868	3.7
106.06393	2.0
111.04273	3.5
117.05570	4.0
118.06378	1.7
119.04761	0.9
119.07246	0.8
120.07926	7.3
121.08778	0.8
122.09500	3.4
123.04252	4.6
123.07899	3.0
127.03765	1.2
130.06448	0.8
132.07910	21.2
132.08972	1.5
133.06395	1.6
134.09627	6.9
136.07396	36.8
136.08534	2.4
136.90141	0.7
137.08168	1.8
138.08897	0.8
144.07980	1.6
145.08781	0.6
146.05873	1.1
146.09506	1.4
148.07408	2.3
150.08980	1.4
151.07361	3.4
156.07962	1.8
158.09526	1.5
160.07579	4.7
166.08539	0.9
170.09540	1.6
171.10426	10.9
172.11230	3.8
173.11908	0.8
174.09052	1.3
178.08607	9.5
180.10184	13.1
188.10664	4.7
191.09355	0.8
196.09665	12.9
200.07397	0.7
200.10556	1.1
212.10417	0.8
216.09993	1.9
217.10922	1.2
218.09892	0.6
218.11763	8.0
222.12596	1.4
224.14177	1.1
228.10176	0.8
234.11223	12.7
240.13643	2.5
250.12106	1.3
268.13318	26.0
270.14954	7.1
275.18985	0.8
296.12778	4.9
314.13855	20.1
315.14154	0.7
316.15442	8.7
332.14893	19.5
343.96725	0.6
358.14966	3.6
430.18430	1.0
494.20212	100.0
495.20798	3.5
589.84949	0.8
592.23962	33.6
593.24591	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.25591	1.0
55.01871	5.1
55.05501	1.7
59.05000	1.3
67.05509	4.3
69.03433	8.2
69.07069	6.1
69.48013	2.0
69.48383	2.0
71.04997	2.1
79.05499	10.8
81.03418	6.8
81.07056	4.0
83.04991	4.6
85.02897	2.9
91.05486	7.1
93.07055	8.4
95.04990	5.0
95.08601	2.3
97.02904	2.5
97.06535	8.6
99.04459	4.3
103.05502	2.4
105.04485	1.2
105.07036	42.8
106.07417	1.5
107.04958	5.9
107.08599	4.1
109.02881	2.0
111.04503	1.3
111.41208	1.2
115.05479	2.1
117.07055	7.3
119.08593	3.8
121.06509	33.1
125.06007	6.6
128.06139	2.1
129.07013	2.1
130.07809	3.3
131.05034	1.3
131.08556	11.4
133.06499	26.7
133.10080	3.2
135.04440	3.5
135.08011	1.2
141.06985	2.9
143.07019	8.2
143.08589	6.4
144.09351	3.8
145.04964	1.5
145.05379	1.4
145.06471	10.4
145.10132	52.4
147.07999	1.5
154.07811	2.0
155.08562	6.0
157.10197	1.9
158.07281	16.0
159.08054	15.7
159.11710	17.0
161.09657	3.7
163.11279	1.1
169.10083	8.5
171.08034	2.4
172.08842	4.5
173.09631	100.0
174.09990	1.6
179.08574	4.2
182.07228	1.7
187.11189	43.6
191.10796	1.7
197.09631	14.4
205.12248	18.9
215.10684	76.2
233.11729	81.3
234.12039	3.1
251.12823	3.9
275.12650	1.6
319.11816	4.6
321.82355	1.6
337.12833	29.2
337.16321	1.0
341.14374	1.5
355.13913	14.1
481.16864	3.0
499.18134	13.0
537.76813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01872	3.4
55.05515	3.1
57.03423	1.3
60.96658	1.1
67.05498	3.7
69.03432	18.4
69.07074	4.9
69.42680	4.5
70.06573	1.1
71.04985	3.9
74.31193	0.9
79.05489	8.6
81.03420	5.3
81.07056	7.8
82.07349	0.9
83.04967	2.0
84.04501	1.6
85.02900	3.3
91.05475	7.8
93.07069	5.6
93.48447	0.9
95.04984	5.4
95.08621	3.8
97.02893	3.0
97.06506	4.3
99.04446	6.7
100.11251	2.0
103.05471	3.3
105.07030	67.0
107.04972	2.3
107.08603	4.2
109.02869	2.5
109.06527	2.2
111.04420	1.5
111.08086	1.8
113.06017	1.2
115.05486	1.3
117.07027	9.5
119.04965	1.3
119.08615	4.7
120.08103	1.8
121.06525	7.5
123.04474	1.6
123.11706	1.8
125.06016	3.2
127.03896	1.8
128.06161	1.7
129.07050	3.0
130.07782	3.1
131.08559	13.8
132.08066	3.6
133.06476	12.9
133.10136	9.5
134.09651	1.4
135.08093	1.3
136.07562	3.5
141.07007	1.6
143.07072	4.3
143.08580	6.3
144.09373	3.7
145.05006	1.1
145.06476	4.1
145.10123	100.0
146.10461	1.8
147.07994	2.0
147.11655	2.0
149.05974	2.1
154.07793	2.8
154.12289	1.0
155.08530	4.1
157.10110	2.1
158.07245	9.6
159.08090	5.8
159.11703	37.1
161.09607	8.7
161.13306	1.2
163.07576	1.1
163.11169	1.6
169.10115	6.5
171.08096	1.6
171.10419	2.1
171.11723	2.3
172.08833	2.6
173.09624	49.0
177.12718	1.4
182.07346	1.6
187.11180	38.0
189.12769	4.5
191.10620	2.2
196.09642	2.5
197.09630	6.3
205.12241	93.8
206.12569	2.4
213.09128	1.2
214.18102	4.7
215.10680	87.4
216.10985	2.2
233.11740	46.5
234.11528	1.6
251.12827	4.9
265.98190	1.1
268.13333	3.6
291.12473	1.0
293.13739	1.0
308.26642	1.8
309.13364	4.5
309.16498	1.0
314.13666	1.6
319.11743	6.6
324.45044	1.1
332.15048	2.4
337.12830	19.0
355.13846	3.8
356.14664	1.3
377.15906	1.1
430.18530	2.4
475.73279	1.2
481.16953	3.5
494.20197	11.0
499.18088	10.4
592.23950	4.3
592.43933	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	592.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01879	6.6
56.55011	1.0
57.03441	6.3
60.76190	1.0
61.02928	6.5
64.50365	1.1
65.03925	1.3
66.73412	1.1
67.05491	1.8
67.87314	1.2
68.99800	2.4
69.03064	2.3
69.03430	39.1
69.80334	3.4
70.06588	1.3
71.01372	1.1
71.04988	4.0
73.02918	7.0
80.04989	1.4
81.03419	21.2
83.01334	1.5
83.04947	1.0
83.07375	1.5
84.08151	1.5
85.02908	100.0
85.46943	1.0
85.48713	1.3
87.00834	42.6
91.03946	1.6
91.05476	17.6
94.76268	1.0
95.08610	2.3
97.02895	37.0
98.22784	1.4
99.04466	13.2
103.03944	1.3
105.01871	79.2
105.07023	2.3
109.02879	43.1
111.04433	1.1
117.01897	1.7
120.08173	1.4
123.04414	2.2
127.03922	81.1
129.01849	3.6
132.08081	3.5
134.09639	1.8
136.07596	8.5
137.20442	1.3
137.95865	1.0
145.04964	33.0
147.02905	2.7
147.11719	6.2
159.02898	15.8
160.07549	1.6
171.10358	2.3
178.08644	2.3
180.10205	1.5
188.10710	1.7
189.03957	2.5
196.09845	1.1
208.24667	1.0
213.03984	7.1
218.12000	1.2
231.05006	40.8
234.11241	1.8
237.47389	1.1
249.06081	20.5
268.13339	4.7
276.19681	1.9
296.12659	1.7
314.13855	3.7
316.15195	2.1
317.04547	1.4
332.14944	4.5
358.15048	1.5
398.34787	1.3
494.20230	14.7
500.32220	1.1
592.24457	26.7
592.34180	2.3
593.24384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
56.05045	3.0
60.87049	0.4
67.05498	1.7
67.05822	0.4
69.03415	0.8
69.07072	2.6
79.05497	1.2
81.03420	0.5
81.07057	1.7
82.06587	1.0
83.04968	0.9
83.08620	1.2
85.02890	1.1
91.05453	0.7
93.07059	1.8
95.08623	2.0
97.02876	0.5
97.06543	1.1
97.10212	0.5
100.07619	100.0
101.06014	5.0
101.07941	0.8
105.07034	0.6
107.08601	1.3
109.06543	0.5
109.10170	1.3
111.74357	0.4
118.08656	7.1
121.10139	2.3
123.11665	0.5
126.93510	0.3
131.08496	0.3
135.11708	1.5
136.06262	0.4
138.93184	0.4
149.13255	0.5
174.00111	0.4
191.17993	0.5
326.26898	41.6
327.27179	1.1
344.27966	16.3
475.27133	0.6
592.30939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01868	1.0
55.05516	3.4
56.05038	2.6
57.03442	1.1
57.07082	1.2
60.04531	1.3
67.05515	9.8
68.05048	0.7
69.03422	3.7
69.07078	3.1
71.04988	2.3
71.09039	1.0
74.75984	0.6
79.05492	12.4
80.05026	2.3
81.03416	2.8
81.05797	2.1
81.07059	10.4
82.06566	4.5
82.20265	0.7
83.04975	1.1
83.08632	3.1
85.02898	1.6
85.06533	1.7
87.04488	2.1
89.01122	0.7
91.05483	6.0
93.07054	21.3
94.06570	16.8
95.04954	3.0
95.08611	18.1
96.08133	2.8
97.06549	5.3
97.10186	1.8
105.04522	1.3
105.07039	10.0
107.07336	2.7
107.08612	1.0
110.09682	9.5
111.08093	12.9
113.42336	0.7
121.10098	1.2
122.09670	33.3
123.08069	24.7
123.10000	0.8
128.10721	31.8
140.10707	100.0
141.09108	10.1
141.10970	1.5
158.11778	7.5
160.12460	0.7
208.27812	0.8
223.05974	0.7
250.80328	0.6
254.24721	1.4
272.25790	7.2
278.28546	1.0
364.32123	1.0
376.32233	1.5
382.33142	10.4
394.33185	17.6
412.34219	71.8
413.34653	3.9
578.06403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72317	0.7
55.05480	1.8
65.76822	0.8
67.05453	2.8
68.05013	0.8
69.05785	1.5
70.06591	5.6
71.04948	1.5
72.78048	0.8
79.05476	1.5
81.07034	1.9
82.06548	2.0
83.01305	2.2
83.07313	2.9
84.08142	58.7
91.05450	1.4
93.07007	1.6
95.08595	2.3
96.08108	4.0
97.08897	5.2
105.06989	1.7
108.08112	3.7
109.08913	1.0
110.09608	2.1
116.43494	0.7
120.08064	0.8
120.31671	0.7
121.06471	2.4
122.08838	0.8
122.09667	14.3
123.10404	2.7
127.03911	0.9
134.09615	1.0
134.74960	0.7
135.08046	1.8
135.10411	0.9
136.11209	13.0
137.11983	5.9
138.12752	4.1
141.98595	0.7
150.12767	3.6
151.07489	1.6
155.07045	1.5
162.12708	2.4
163.13536	1.6
164.14377	3.6
165.15092	2.2
166.15877	1.7
170.85025	0.8
192.13861	0.8
194.15387	5.6
194.16875	1.1
210.14903	8.2
232.16997	1.8
264.19418	0.8
292.19006	2.4
304.15283	1.1
308.18503	1.7
336.18030	100.0
337.18134	3.8
347.87228	0.7
410.74677	0.7
428.87509	0.9
475.32257	0.8
510.20370	1.2
557.24719	0.9
592.42041	51.4
593.42517	4.8
596.37695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48141	1.5
55.01877	3.3
55.05516	29.9
57.03449	12.7
57.07077	33.1
59.05013	2.2
63.61349	1.7
67.05507	53.2
69.03430	2.4
69.07074	11.2
69.14166	9.7
71.08636	25.6
79.05496	21.0
81.03403	2.4
81.07059	30.7
83.04982	4.6
83.08617	20.1
85.02914	16.4
85.06569	2.6
85.10181	14.2
87.04480	9.1
91.05512	4.2
93.07027	5.0
95.08617	27.2
95.52904	1.7
96.23882	1.6
97.06519	2.9
97.10168	24.7
105.07059	3.7
107.08607	10.3
109.10164	45.4
111.08083	2.8
117.07012	1.9
119.08576	5.2
121.10155	4.0
123.11690	2.6
125.09638	28.8
135.11737	3.0
137.09634	1.8
137.13255	2.8
143.10658	5.1
145.10135	2.9
155.10637	1.9
163.11192	3.3
173.11789	11.6
199.13280	13.3
200.82417	2.0
209.11807	2.8
217.14384	2.5
227.12798	6.1
229.14369	39.4
239.23705	3.5
257.24814	2.8
283.15305	2.1
292.01950	1.8
301.16412	14.2
313.27371	100.0
314.27728	5.8
319.17596	2.4
357.04327	1.9
437.36130	5.3
455.37317	9.8
467.37274	13.4
533.25378	4.8
539.39355	4.7
593.27240	6.0
593.39832	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	592.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35529	3.5
53.84787	3.2
54.03309	3.5
55.05515	50.8
57.03440	22.2
57.07079	65.7
59.05010	6.7
67.05506	87.6
69.07076	22.1
69.14246	12.9
69.14651	8.6
71.05009	3.5
71.08637	49.5
73.02929	3.3
76.04964	3.1
79.05492	18.3
81.07060	50.7
83.04964	4.8
83.08624	32.5
85.02929	19.1
85.06550	3.3
85.10200	27.6
85.57578	3.4
87.04478	13.0
89.06051	4.4
91.05486	6.6
93.07044	8.0
95.08610	38.9
97.06558	4.7
97.10173	40.3
98.23431	9.3
106.09509	3.0
107.04966	3.1
107.08586	16.7
109.10167	76.4
111.69389	3.1
114.58644	2.7
119.08593	5.8
123.11737	6.3
125.09640	27.1
135.11772	4.9
139.27701	3.3
155.05304	3.1
163.11214	4.0
173.11758	14.1
194.34369	3.8
196.15582	3.2
199.13342	13.0
229.14368	49.2
239.23698	5.7
266.60977	3.0
301.16470	13.5
313.27344	100.0
313.30899	6.4
314.27972	4.9
455.37366	9.6
467.37512	17.8
539.39581	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	592.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54331	1.0
55.01881	2.4
55.05511	26.8
55.05780	1.3
57.03428	9.9
57.07075	27.2
59.04995	2.8
67.05504	39.6
69.03426	1.1
69.07066	10.6
69.20136	5.8
71.01305	1.2
71.08630	21.9
71.09292	1.0
79.05483	11.5
81.03417	1.2
81.07056	21.7
83.04993	3.5
83.08617	16.1
85.02901	14.5
85.06542	1.7
85.10180	10.4
87.04467	8.7
89.06041	1.8
91.05488	4.2
91.11996	1.1
93.07049	4.0
95.08601	20.1
97.02914	1.4
97.06535	2.3
97.10170	22.8
98.22654	2.0
103.07600	1.2
107.04977	1.0
107.08598	8.9
109.10157	31.8
111.11721	1.3
119.08578	2.5
121.10134	2.7
123.08131	1.1
123.11727	3.0
125.09628	23.5
137.09633	2.2
143.10683	6.1
145.10123	2.4
153.12726	1.9
155.10695	4.1
163.11209	3.2
173.11736	10.1
181.12296	1.4
199.13297	17.1
209.11690	2.9
217.14485	1.3
226.93645	1.1
227.12733	10.7
229.14345	39.4
239.23621	6.5
257.24738	1.3
283.15387	2.7
301.16418	21.6
313.27356	100.0
314.27606	3.7
319.17615	4.0
341.26791	2.4
437.35977	5.7
455.37372	17.6
456.37466	1.3
467.37292	16.5
529.42993	1.1
539.39429	8.3
540.39478	1.2
557.39905	2.1
593.40051	9.8
594.51392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01889	1.4
55.05511	10.6
56.09927	1.3
57.03434	1.9
57.07062	1.5
67.05505	19.6
67.96133	1.2
68.99258	1.3
69.03429	1.4
69.07066	9.9
70.82998	1.5
71.04985	1.7
71.08624	5.9
79.05486	14.3
81.03421	10.5
81.07048	16.6
82.60109	1.6
83.04978	2.8
83.08624	1.5
91.05472	6.7
93.07038	13.7
95.04987	9.8
95.08617	11.9
97.06516	2.3
97.10182	2.4
97.48719	1.3
98.22711	3.1
99.08103	1.7
105.07069	2.4
105.91098	1.3
107.08572	6.3
109.10152	6.9
112.21094	1.4
117.07001	1.4
119.08575	3.5
121.10163	7.4
123.11713	2.0
133.10109	3.7
135.11717	2.3
137.09599	3.7
139.11208	4.2
145.10124	2.2
147.11694	2.4
149.13316	2.1
151.11162	6.7
161.13184	2.3
163.14624	1.3
203.12817	1.7
221.15387	1.6
237.82698	1.5
241.19484	2.3
249.22212	1.7
277.21613	66.4
278.22180	1.9
295.22650	100.0
296.23087	2.5
407.22916	1.5
557.45697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01865	1.7
55.30125	0.7
57.80106	0.8
62.65112	0.7
65.03945	1.4
68.99781	4.6
69.40575	3.6
81.03423	2.4
91.98587	0.8
93.03395	1.3
94.04208	1.2
95.04970	1.7
99.04476	1.4
107.04971	3.5
109.02886	3.2
111.00794	2.5
111.04439	3.6
119.04925	1.9
122.03660	1.6
123.04427	25.9
127.03911	100.0
128.04256	1.8
129.06940	0.9
131.04945	1.4
135.04411	28.7
137.02362	2.1
137.05971	42.6
138.06259	0.9
139.03894	68.0
140.04204	0.9
143.04916	0.8
145.02855	1.3
147.04401	9.8
149.02373	4.8
149.05962	8.0
151.03909	7.8
159.04408	3.7
161.05983	2.3
163.03900	33.8
165.05467	1.7
165.54958	1.1
167.03424	7.0
169.06474	1.6
173.05988	2.9
175.03870	5.1
177.05461	17.8
179.03426	3.2
179.07022	2.3
181.04895	1.0
183.04510	1.2
185.05965	1.6
187.03853	4.6
189.05531	2.7
191.03400	12.5
193.04936	4.4
197.05948	2.4
201.05487	6.7
203.03397	8.8
203.07031	1.9
205.05005	2.8
213.05447	1.3
215.07053	2.1
217.04918	1.3
221.08182	0.9
229.04915	8.8
230.05522	0.9
231.06494	1.3
233.04446	7.2
241.05038	1.3
243.06471	5.3
245.04428	6.9
247.06003	15.5
248.06519	0.9
251.05656	1.3
255.06526	2.6
257.04437	10.0
257.07071	1.0
257.07938	0.8
259.06061	8.1
269.04431	4.0
271.06018	15.8
275.05490	15.2
283.05939	7.3
285.07526	1.9
287.05496	24.8
288.05832	1.5
289.07080	14.8
291.08478	1.8
297.07449	1.0
299.05704	4.5
301.07037	13.5
303.08612	0.9
305.10208	11.3
311.05109	0.9
317.10104	2.4
393.09821	0.9
409.09161	17.0
421.09045	1.0
423.10791	8.5
424.10391	0.8
425.12195	2.6
426.75592	0.8
427.10339	4.0
430.78976	0.8
439.10400	1.2
441.11862	1.3
449.12491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
65.03931	0.9
65.69418	0.6
67.01875	0.9
68.99789	5.2
69.81141	1.4
69.81509	1.4
77.03925	0.9
79.05490	0.7
81.03412	1.6
91.05460	0.8
93.03422	0.9
94.04184	1.0
95.04977	0.9
99.04475	1.2
105.03398	0.7
107.04924	3.1
109.02890	2.2
111.00798	1.5
111.04430	3.0
119.04947	1.2
121.02884	1.2
122.03651	1.7
123.04433	20.4
124.04797	0.8
127.03913	100.0
127.22301	0.6
128.04257	0.9
129.07014	0.7
131.04953	2.4
135.04413	30.7
137.02339	2.1
137.05975	38.1
139.03899	68.1
143.04939	1.3
147.04402	9.4
148.08614	0.7
149.02328	3.6
149.06017	2.0
151.03908	9.7
153.05527	0.7
153.07021	1.2
157.06471	0.9
159.04427	2.7
161.05975	2.9
163.03906	32.6
165.05495	1.1
167.03412	5.8
169.06567	1.3
173.05998	2.3
175.03914	2.8
175.07567	1.2
177.05435	4.4
179.03389	2.9
179.07002	2.4
185.05913	1.4
187.03850	4.6
187.07486	1.2
189.05479	1.5
191.03369	8.0
193.04987	3.2
197.05991	4.1
201.05463	5.6
202.32803	0.7
203.03374	6.5
203.07027	2.2
205.04984	2.5
213.05453	1.3
215.03484	0.9
215.06973	2.8
217.04951	1.3
221.08040	1.0
225.05515	1.0
229.04979	7.0
231.06622	1.5
233.04446	3.7
241.04958	1.5
243.06552	3.9
245.04515	5.2
247.06024	16.2
255.06575	1.5
257.04480	7.7
259.06033	6.5
261.07394	0.9
269.04523	1.7
271.06006	16.7
272.06155	0.7
273.07327	0.7
275.05472	9.0
283.06036	4.4
287.05475	15.6
289.07028	14.7
299.05533	1.9
301.07089	11.4
305.10199	12.3
317.10172	1.3
409.09128	9.9
423.10791	6.2
425.12534	0.7
427.10248	3.0
439.10266	0.9
449.12091	1.1
594.96942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1656
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
56.19595	1.3
65.66290	1.1
67.05519	1.8
68.99789	4.8
70.06596	4.0
81.03421	2.9
86.09706	2.6
91.05482	3.2
92.36283	1.2
94.04199	2.8
94.68736	1.1
95.04978	2.6
107.04955	2.3
109.02900	3.0
111.00809	2.3
111.04454	1.6
112.88655	1.1
118.97072	1.5
119.04974	4.5
120.08088	1.5
122.03645	4.3
123.04429	56.3
124.10161	1.1
127.03918	91.7
131.04956	1.7
135.04420	31.4
137.02362	3.0
137.05974	100.0
139.03902	43.1
141.22545	1.2
147.04399	23.4
149.02350	4.1
149.06000	6.9
151.03909	7.1
153.36411	1.4
159.04456	3.2
161.05988	4.1
163.03905	40.9
167.03419	6.4
169.06529	2.1
173.05962	4.1
175.03928	3.4
175.07570	2.3
177.05511	11.1
179.03406	4.3
179.07034	4.6
181.04848	1.3
185.05969	1.7
187.03850	6.8
189.05550	3.5
191.03366	8.0
193.04999	5.7
193.08604	1.5
197.05972	3.0
201.05484	6.0
203.03391	12.7
203.06868	2.8
205.05144	1.6
213.05502	4.1
215.03419	2.6
215.07016	3.3
217.04994	4.9
221.07870	1.3
225.05508	2.0
229.04948	10.6
231.06514	2.7
233.04430	2.0
241.05016	3.1
243.06555	4.5
245.04471	16.3
247.06013	17.6
253.04936	2.2
255.06511	3.7
257.04453	25.2
258.05234	2.6
259.06067	5.4
265.05075	1.3
269.04535	4.4
271.06009	23.1
275.05585	14.1
281.41895	1.4
283.06012	6.9
287.05508	46.8
288.05865	1.7
289.07065	18.1
299.05469	13.3
301.07013	9.7
305.10162	10.9
317.10257	4.0
331.73370	1.2
409.09128	19.0
421.09000	1.9
423.10715	24.7
425.12186	4.5
427.10251	5.5
435.10727	2.1
439.10022	1.6
441.12000	2.4
447.10504	1.6
449.12314	8.0
453.11948	4.7
602.01257	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2761
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.86605	0.7
57.07057	0.8
60.42799	0.8
65.53944	0.9
67.05513	0.9
69.07072	1.1
71.08633	0.7
71.92073	0.7
81.07070	1.7
85.70216	0.8
93.07064	1.0
95.08609	1.6
107.08562	1.7
109.10159	0.7
121.10127	1.0
145.10115	1.0
163.45328	0.7
209.11691	1.1
283.15652	1.0
313.27548	1.8
401.47128	0.9
403.19308	2.3
404.20047	1.0
405.15717	0.9
405.20532	1.8
417.20844	3.1
418.21771	1.1
419.22342	2.6
431.18402	8.7
432.19119	2.3
433.24411	4.0
445.19781	7.8
446.20627	3.7
447.21869	6.3
459.21902	3.1
460.22638	10.9
461.23199	10.0
462.24377	1.0
473.23254	3.4
474.24146	1.0
476.25592	0.9
487.25079	1.3
505.22061	5.4
519.23981	1.1
533.25482	30.3
534.25977	2.4
593.27570	100.0
594.27942	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	594.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16505	0.2
53.03942	0.3
57.03432	0.4
61.02910	0.4
69.03435	2.3
69.71792	0.9
75.39334	0.2
79.05483	0.5
81.03426	1.1
85.02913	5.8
87.04469	1.8
91.03947	0.3
91.05474	0.6
93.07033	1.4
93.72956	0.3
95.04962	0.3
97.02892	2.0
99.04469	1.2
103.05469	6.3
107.04963	1.8
109.02886	1.5
115.03120	0.5
115.03937	11.2
117.05516	0.8
120.08109	100.0
121.08468	1.0
127.03922	4.3
131.04933	2.5
133.04968	4.4
135.06572	0.6
145.04956	3.8
149.06036	2.0
151.03900	0.3
153.07571	0.9
163.05980	0.8
165.91446	0.3
166.08644	47.3
167.08980	0.9
175.17502	0.2
181.05037	0.3
222.14487	0.3
225.07571	0.3
241.07195	0.4
243.08736	0.3
259.08148	1.8
260.33160	0.3
267.12714	0.3
277.09189	6.5
297.11554	0.4
372.40179	0.3
375.12823	0.7
393.13889	1.0
411.14969	0.4
414.00674	0.3
429.03827	0.3
472.70667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01857	0.4
55.05492	0.5
56.05024	0.5
57.03413	0.7
58.06601	4.5
61.02934	1.1
64.32301	0.2
65.34818	0.2
67.05505	1.4
69.03429	6.9
70.06602	2.2
71.04971	0.7
71.45391	0.3
72.08167	0.3
73.02888	0.5
79.05495	3.9
80.04987	0.4
81.03435	1.6
81.07030	1.1
82.06564	0.5
83.04965	0.3
83.07383	0.3
84.08140	1.4
85.02907	8.2
87.00803	0.6
91.03917	0.2
91.05486	2.4
93.05769	0.3
93.07021	1.1
94.06556	0.7
95.04967	3.1
95.08582	0.7
96.08105	0.7
97.02258	0.6
97.02891	10.7
97.06515	0.3
97.08899	0.5
97.10134	0.3
98.09668	0.9
98.24448	0.2
99.04433	0.9
103.03930	0.3
103.04847	0.3
103.05463	3.7
105.01854	0.9
105.07039	1.9
107.04919	0.9
107.08592	8.2
108.08086	0.7
109.02864	1.7
109.06512	1.4
109.10158	1.2
110.05997	0.5
111.04427	1.7
115.05450	1.5
117.07022	3.7
118.06538	0.6
119.06030	0.4
120.08133	1.4
121.06480	0.8
121.08877	0.5
121.69765	0.2
122.09674	1.6
123.04399	0.6
123.08051	0.5
125.06043	0.4
125.09635	5.4
126.05466	0.4
127.03925	2.2
128.06158	0.3
129.10220	0.4
131.03963	0.4
131.04926	6.3
132.08060	1.5
133.06505	0.7
133.08823	0.7
134.09665	2.4
135.08055	18.4
136.07530	1.3
136.11200	1.4
137.05968	0.3
138.05463	0.7
138.06737	0.2
139.03879	0.5
140.08340	0.3
145.04979	1.1
145.06506	0.6
146.05989	2.3
146.09642	0.7
147.06775	1.3
147.07867	0.4
148.07593	2.1
148.11206	2.9
149.05978	10.2
149.09485	0.3
150.06511	0.3
150.09155	2.9
150.11705	0.3
150.12782	3.5
151.07521	0.3
152.10637	1.3
153.09074	3.2
158.09569	0.4
159.02910	0.6
160.07494	0.4
160.11195	0.7
161.05966	0.4
161.08350	0.6
161.12001	0.3
162.09073	0.4
162.12770	0.5
163.07487	0.9
164.07060	12.6
164.10686	1.0
166.08636	0.3
168.10223	0.6
168.13797	1.0
170.11729	1.5
172.11229	0.5
173.05913	1.1
173.09679	0.3
174.09142	0.3
174.12779	0.5
176.14444	0.2
178.08595	0.8
178.12306	2.2
179.09288	0.3
180.10164	0.4
182.11702	1.5
183.07954	0.3
187.07497	0.3
188.10681	0.7
189.11455	0.7
190.12221	0.3
191.07059	0.8
192.10219	0.4
194.11713	0.5
196.13329	28.1
197.13664	0.3
198.09120	0.6
199.07532	0.4
200.10719	0.7
201.09146	0.3
202.12262	1.3
204.10262	0.4
205.10953	0.3
206.11734	0.9
207.12500	0.4
208.13309	0.9
220.13275	1.8
224.12694	0.6
227.07050	0.3
231.04970	0.4
232.13290	0.8
244.09732	0.7
244.13297	0.6
246.14717	0.3
257.08118	0.5
258.14816	0.5
262.10825	0.5
270.14951	0.8
271.15778	0.5
272.16467	3.4
273.17084	0.5
277.13165	0.6
278.14005	0.4
282.14951	0.3
288.15884	0.8
289.16702	0.3
294.99591	0.2
298.14310	2.6
299.15067	0.9
300.15930	0.5
302.13882	0.5
316.15393	4.4
317.16202	8.0
318.16910	0.5
334.16406	2.2
350.17615	0.3
352.19232	0.3
368.18661	0.4
378.16898	0.3
396.18033	1.0
414.19144	9.6
415.19098	0.3
432.20181	100.0
433.20483	3.4
465.33859	0.3
529.76776	0.3
594.25385	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	594.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93571	0.5
53.03909	1.0
55.01824	2.9
55.05468	1.6
56.04994	1.2
57.03387	2.0
57.03650	0.7
59.04950	0.4
61.02877	1.5
63.28925	0.5
65.03899	0.8
67.05505	7.3
68.04994	1.1
69.03429	8.9
69.10413	0.9
69.10822	2.4
71.04939	1.8
72.17070	0.5
72.76637	0.4
73.02863	1.4
73.20094	0.5
79.05428	1.9
80.05007	2.5
81.03368	2.0
81.06994	1.9
82.06570	2.7
84.08145	5.8
85.02905	7.8
87.04407	1.9
87.04905	0.5
91.03918	0.5
91.05444	0.8
93.06985	1.7
94.06497	1.9
95.04892	1.6
95.08607	19.6
96.08080	1.0
97.02898	3.6
97.06493	1.0
97.18476	0.5
99.04399	1.9
100.07634	2.9
104.83112	0.5
105.07070	2.5
105.07607	0.8
106.06487	1.0
107.04805	0.6
107.08560	1.0
108.08083	1.2
109.02822	1.2
109.06441	1.3
118.06426	0.5
120.08071	1.0
121.06455	1.0
122.09669	4.4
123.04433	8.8
123.05280	1.0
123.08084	5.5
124.11163	2.1
125.05988	2.7
125.09576	1.9
125.10424	0.5
127.03854	1.7
127.07457	1.9
132.08025	0.7
133.06456	1.2
134.09599	1.2
136.07533	0.9
136.11212	0.7
138.09073	0.7
148.07582	0.6
149.05995	0.6
150.09146	7.5
151.06369	0.6
151.07536	9.6
152.10698	6.9
154.12170	1.8
156.00719	0.4
162.09085	2.2
164.10574	0.7
166.08566	1.0
168.10222	4.6
170.11731	1.6
180.10216	5.8
182.11763	39.5
183.12018	0.8
184.09705	0.6
190.12166	0.5
196.09618	1.8
198.11253	41.0
199.11496	0.6
206.11722	1.0
218.11664	2.0
220.13263	1.1
222.11267	1.0
222.14778	0.6
232.13268	0.8
236.12804	1.8
244.13399	0.7
260.12711	0.8
270.14685	0.8
272.16385	1.1
288.15991	1.2
298.14368	0.5
306.16849	1.4
316.15399	2.1
318.16986	19.0
334.16486	48.1
335.16861	0.9
360.16492	10.6
432.20081	4.1
496.21759	100.0
497.22137	4.3
594.25427	60.9
595.25842	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	594.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01867	2.8
55.05507	1.1
56.05025	1.1
57.03411	2.3
61.02929	2.7
63.12109	0.5
67.05502	7.2
68.05006	0.6
69.03432	10.3
69.48883	1.9
69.49260	1.1
70.06570	0.9
71.04976	1.8
73.02904	2.0
79.05468	1.5
80.05006	3.2
81.03405	2.5
81.07043	2.5
82.06583	2.5
83.07372	0.6
84.07677	0.6
84.08139	6.8
85.02908	8.4
87.04448	1.6
93.07018	2.1
94.06557	2.6
95.04944	1.8
95.08606	21.6
96.08091	1.2
97.02889	5.4
97.06545	0.6
98.23478	0.9
99.04453	1.9
100.07596	2.3
102.12112	0.5
105.07041	2.6
106.06562	0.7
107.08553	0.7
108.08087	1.4
109.02847	1.9
109.06528	1.2
110.09682	0.6
112.07571	1.2
120.08105	2.3
121.06446	1.0
122.09663	4.9
123.04423	9.3
123.08076	6.6
124.07565	1.3
124.11224	2.9
125.06004	2.5
125.09618	1.7
127.03883	2.2
127.07590	1.2
132.08058	1.7
133.06451	1.5
134.09630	2.2
135.08089	0.5
135.80389	0.6
136.07579	2.3
136.11177	0.8
138.09143	0.8
140.10637	0.8
146.09668	0.6
148.07498	0.7
148.11197	0.5
150.09145	8.3
151.07545	11.5
152.10710	6.8
154.12267	1.9
161.09596	0.5
162.09109	2.0
164.10716	0.7
166.08609	1.0
168.10172	5.0
170.11719	1.5
180.10217	6.5
182.11758	43.5
183.12120	1.1
184.09662	0.7
188.10756	0.8
196.09692	2.3
197.10083	0.7
198.11253	45.3
204.10069	0.6
218.11783	1.7
220.13297	0.8
222.11214	1.0
222.14687	0.7
236.12904	1.3
254.54526	0.6
260.12888	1.8
268.13425	0.7
272.16492	1.0
276.84579	0.6
288.16074	1.4
297.18939	0.6
302.98221	0.5
306.16885	1.6
316.15363	2.0
318.16986	16.3
334.16470	38.6
335.16782	1.0
360.16504	12.9
432.20346	4.2
495.20398	0.9
496.21732	100.0
497.22095	3.1
594.25342	48.3
595.25629	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	594.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.05019	0.6
57.03445	0.5
59.60463	0.5
61.63340	0.4
67.05492	1.0
68.05025	1.0
69.03423	5.3
69.59970	1.2
70.06586	1.3
71.04995	0.6
72.08144	0.9
73.02901	0.8
79.05495	2.6
80.05016	1.3
81.03410	0.7
81.05779	0.8
81.07064	1.1
82.06581	1.9
83.04996	0.5
83.07351	2.3
84.04501	0.9
84.08114	0.8
85.02889	3.1
87.04468	0.5
91.05481	1.7
93.07027	0.7
94.06551	0.7
95.08665	0.6
96.04495	1.5
97.02895	12.2
98.06024	0.6
99.04439	0.7
105.07021	1.7
107.08595	7.6
109.02893	0.5
109.08896	0.7
109.10141	0.7
110.09678	1.3
111.10490	0.8
115.73853	0.4
117.07036	1.5
118.06544	1.3
119.07345	0.5
119.15996	0.5
120.08096	9.8
121.08890	1.4
122.06062	1.3
122.09663	1.5
123.04438	0.5
124.11237	3.1
125.09624	3.3
130.06514	1.2
132.08107	4.1
133.08855	0.5
134.09627	4.5
135.08052	6.1
136.07596	2.0
137.08339	0.7
144.08150	0.7
146.06027	0.8
146.09631	1.5
147.10413	0.6
148.07591	2.0
153.09099	4.2
158.09688	1.6
160.07582	1.0
160.11230	1.0
162.09175	1.6
164.07050	0.6
166.08629	0.5
170.09718	1.9
171.10406	2.5
172.11223	3.7
173.12003	1.6
174.12758	2.2
177.00911	0.5
182.08134	0.5
184.11227	1.8
186.12839	0.6
187.09886	0.8
190.12248	6.0
200.10753	2.0
202.12276	6.5
208.11581	0.6
208.13319	3.1
209.12074	0.5
218.11772	6.6
219.12552	0.7
220.13326	12.3
221.14001	1.2
224.14325	1.9
226.16069	0.7
232.13345	0.6
236.12799	38.4
237.13229	1.0
244.17198	0.6
252.13875	1.9
270.14877	46.8
271.15271	1.4
272.01511	0.5
272.16452	16.6
273.16672	0.6
280.13400	0.6
288.16141	0.6
298.14355	5.5
316.15436	15.1
317.16046	0.7
318.17001	7.7
334.16483	22.1
432.20074	1.7
496.21762	100.0
497.22015	5.0
530.48425	0.5
594.25421	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	594.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20331	0.4
51.27562	0.3
55.01869	1.1
57.03423	0.5
61.02925	0.6
63.71366	0.4
67.05505	0.7
69.03431	3.8
69.87681	1.0
69.88042	0.5
70.06600	0.5
71.04987	1.5
73.02892	0.7
73.88114	0.5
79.05479	0.9
80.05029	0.9
81.03403	0.7
83.01366	0.8
83.04970	0.5
84.08142	1.0
85.02901	2.5
87.04464	0.7
91.05474	1.1
93.07063	1.0
94.06612	0.4
95.04987	0.9
95.08602	0.5
96.08157	0.4
96.38043	0.4
97.02895	1.4
97.06484	0.4
98.23399	0.6
99.04472	2.5
105.07034	0.7
106.06570	0.8
108.08173	0.7
118.06534	1.0
120.08082	1.2
122.09685	1.1
123.04445	0.8
125.06009	1.0
127.03986	0.6
128.06207	0.7
131.08591	0.9
132.08116	1.2
133.06430	0.5
134.09657	5.7
135.08052	0.5
136.11266	1.2
141.06911	0.5
143.08559	0.6
145.06500	0.7
146.09665	1.1
150.09184	1.7
155.08595	0.6
158.08418	0.4
158.09660	1.2
159.08069	0.5
160.07573	0.5
160.11227	4.4
161.12051	0.6
162.09180	1.4
162.12846	1.1
170.09666	0.7
172.08917	0.5
172.11200	4.2
173.09669	0.6
173.12015	0.7
174.09206	0.5
176.10649	0.6
179.30153	0.4
182.09639	0.7
184.11253	1.3
186.09171	0.6
186.12837	0.9
188.10725	4.7
190.12279	0.9
198.09109	0.9
198.12822	0.6
200.10707	1.7
201.11472	0.6
206.11755	0.9
208.11209	0.6
208.13275	0.4
210.12781	0.8
212.10762	1.7
213.11508	0.5
214.12337	1.5
216.10313	0.7
217.08469	0.4
218.11832	1.3
220.13397	1.6
222.50281	0.4
224.10696	0.5
226.12283	0.5
227.10631	0.5
228.10126	0.6
228.13857	0.8
230.11650	0.7
232.13365	1.4
233.14209	1.0
238.12283	1.1
240.13829	1.0
242.11903	0.7
244.09706	0.4
244.13327	0.9
246.15068	0.9
247.09766	1.2
252.10233	0.5
252.13982	0.8
254.11812	1.3
256.13367	0.9
258.14917	1.9
259.15631	0.6
260.16489	1.6
266.11786	0.4
268.13345	0.8
269.14288	0.5
270.15048	2.1
271.15707	1.5
272.12848	1.6
272.16495	1.7
274.14297	2.3
276.15979	1.5
282.11319	1.0
286.14435	3.5
287.12494	0.6
287.15234	3.6
288.15918	6.9
298.14468	1.4
298.17776	0.6
300.12473	0.6
304.15390	2.3
305.16122	1.3
308.12952	0.8
308.16418	0.5
310.17935	0.8
312.15900	0.6
316.15457	1.8
318.17108	0.5
322.14407	0.7
326.14005	0.7
326.17584	0.8
334.16461	1.6
336.16013	0.6
338.17569	2.5
340.15466	2.5
340.19061	0.5
342.20526	0.6
346.16568	0.8
354.17148	1.7
355.17596	0.5
358.16449	2.2
358.20316	1.6
360.21606	0.7
368.18655	1.1
370.20306	1.2
386.19662	5.6
388.21167	1.5
396.18011	4.3
400.17770	0.7
404.20724	1.4
414.19113	26.9
415.19458	1.2
416.20789	1.5
432.20203	25.1
433.20776	1.2
520.22327	0.7
566.26154	1.6
594.25439	100.0
595.25549	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	594.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16248	0.3
56.05015	0.6
56.96551	0.5
57.07065	0.5
58.06599	0.9
60.08163	6.5
69.71654	0.3
69.71979	1.3
71.07381	3.1
73.00443	0.3
86.09702	13.6
95.08652	0.4
98.22809	0.5
102.92615	1.3
104.10739	100.0
105.11073	0.9
118.92043	0.8
136.93120	2.8
154.94154	3.2
162.94658	2.4
172.95238	3.4
177.95860	0.5
180.95721	9.7
190.96297	1.5
192.95842	0.5
195.96732	0.4
198.96788	25.0
203.97372	0.5
210.96834	2.0
216.97839	9.8
221.98351	2.6
228.97806	1.7
231.71942	0.4
236.98509	0.9
239.99570	0.5
240.03020	0.4
240.09900	0.5
254.99469	0.9
313.20453	2.3
316.67200	0.4
331.21533	1.1
419.18768	1.1
437.19907	1.4
449.19891	2.9
467.21121	0.5
475.21378	1.6
478.26111	4.3
518.32031	0.5
534.28729	7.3
535.29865	0.5
594.30780	18.5
595.30334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01868	1.5
55.05511	7.6
57.03432	1.0
60.11980	0.5
61.56894	0.5
62.80148	0.5
65.03933	1.1
67.05508	15.7
69.03431	2.4
69.07073	5.4
69.09409	3.1
71.04980	1.5
77.03928	0.6
79.05499	12.7
80.12340	0.4
81.03421	2.1
81.07060	18.0
82.33415	0.4
83.04986	2.0
83.05473	0.4
83.08619	6.3
85.02907	5.8
85.06538	1.0
87.00826	3.1
91.05484	20.6
93.07050	12.3
95.04955	2.1
95.08607	11.1
97.02881	2.7
97.06541	3.5
97.10171	3.5
98.22675	0.6
99.04463	0.8
99.08070	1.2
103.05470	0.5
105.01874	5.7
105.07037	10.5
107.04967	4.1
107.05634	0.6
107.05891	0.3
107.07918	0.7
107.08600	7.7
109.02884	1.9
109.06513	1.6
109.10169	3.7
111.04445	1.1
111.08125	2.5
117.07030	8.4
118.79427	0.4
119.08589	11.1
121.06507	3.2
121.10148	8.7
123.08040	1.4
123.11708	1.0
125.09643	2.0
127.03910	5.0
128.06277	0.5
129.07004	2.7
131.08574	9.8
133.06458	0.6
133.10135	13.5
135.08058	6.7
135.11703	5.2
137.09599	2.0
139.07591	0.6
139.11192	1.6
141.07048	0.8
143.08594	1.6
145.04984	1.9
145.10126	10.0
147.08051	1.6
147.11684	7.7
149.09616	11.8
149.13258	1.5
151.11185	1.3
153.09096	1.2
155.08600	0.7
157.10120	3.3
159.02887	1.0
159.11702	6.3
161.09689	1.1
161.13278	3.3
163.11191	10.7
165.12701	0.7
169.10136	1.2
171.11670	3.0
173.09712	0.7
173.13261	4.2
175.09749	0.5
175.11206	1.4
177.12733	2.6
179.10732	0.6
181.12183	0.6
183.11691	1.4
187.14824	0.5
189.11206	0.8
191.14252	0.8
193.12181	0.8
197.13280	1.5
201.12833	0.7
211.14870	0.5
229.15982	0.5
229.19478	1.6
231.05029	2.2
239.17932	4.5
247.20576	0.9
248.07739	0.5
249.06071	1.6
257.19055	9.6
275.20068	100.0
276.20346	2.5
284.09671	1.0
293.21112	42.8
294.21390	1.5
311.22208	7.5
323.22086	0.7
328.24576	0.7
335.22165	0.8
365.21024	0.9
378.62033	0.4
383.22217	1.8
401.23322	3.9
414.18924	0.6
419.24545	2.4
437.25693	0.6
487.22931	0.6
505.24359	1.9
523.25525	0.9
541.26495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72863	0.5
54.30876	0.4
55.05499	1.0
57.03405	0.4
57.07082	0.5
60.88987	0.4
67.05486	1.4
69.07057	1.5
69.44959	1.5
70.06606	0.7
79.05489	1.3
81.07047	1.7
88.07628	1.0
91.05478	1.2
91.35635	0.4
93.07043	0.7
95.08611	1.1
98.98466	4.1
104.10735	1.9
105.07034	1.0
107.08582	0.6
109.10180	0.6
113.69913	0.4
117.07023	0.8
118.06548	1.0
119.07336	1.2
119.08563	0.6
124.99998	12.5
131.08597	0.7
134.09650	13.4
137.64758	0.4
144.08090	6.1
145.08899	3.6
160.11214	85.8
161.11548	1.7
178.12268	4.8
203.74327	0.4
219.17543	0.7
256.26419	0.6
258.08908	100.0
259.09219	2.0
479.41147	0.5
541.35040	0.7
559.36255	0.7
576.34412	1.1
576.45880	0.9
594.35425	3.7
594.46820	1.5
595.28375	1.2
615.30743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
55.05515	18.3
56.65308	1.3
57.03438	7.9
59.04998	1.3
60.23936	1.3
67.05507	17.7
69.03436	2.9
69.07071	5.2
69.48146	1.1
69.78689	2.4
70.94315	1.1
71.04992	4.6
78.60056	1.2
79.05499	20.9
81.03420	54.3
81.07058	17.2
83.04974	4.4
83.08621	15.2
85.02879	1.3
85.06567	1.7
91.05484	17.6
93.07049	15.9
95.04969	21.5
95.08641	10.2
97.02914	2.0
97.06532	3.4
97.09605	1.3
97.10181	14.8
105.07037	12.8
105.88798	1.3
107.04959	14.1
107.08585	11.0
109.06530	9.7
109.10173	5.4
111.08093	5.1
117.07019	5.3
119.08569	9.1
121.06500	9.4
121.10165	7.0
123.08107	3.7
125.09620	13.7
129.07005	7.7
131.04904	1.2
131.08592	10.9
133.06517	3.9
133.10106	5.6
135.08072	3.4
135.11693	2.4
137.06009	1.1
141.07022	1.6
142.07774	1.9
143.08565	1.7
145.06512	6.9
145.10129	4.8
147.04402	1.6
147.08075	5.9
147.11688	6.6
149.09625	4.2
153.09132	2.7
153.12769	1.5
155.08618	1.4
157.06479	1.5
157.10117	7.5
159.08092	2.2
159.11716	2.6
161.09642	2.1
163.11226	2.2
171.08083	1.9
171.10135	1.4
171.11655	1.6
173.13242	1.6
175.11229	5.0
177.12727	1.7
189.11195	4.9
189.12718	1.6
191.14310	1.6
193.12260	15.4
195.11694	1.3
197.09708	1.8
197.13292	2.5
199.11269	3.0
199.13213	1.4
211.13261	2.2
213.12849	1.4
215.14320	1.5
219.13831	2.6
223.13361	1.4
229.00226	1.4
231.13850	1.7
233.15332	5.4
245.15599	1.4
249.15048	1.7
255.13953	1.9
267.15921	42.2
273.14761	7.4
273.17365	1.5
293.17587	1.6
339.23056	3.1
349.21790	6.4
354.13803	1.1
357.24371	2.1
367.22678	17.1
385.23727	23.7
386.24603	1.7
403.24741	10.6
423.25226	1.3
441.26285	10.8
459.27423	100.0
460.27890	6.8
477.28513	78.9
478.28897	5.9
491.30231	11.7
509.30841	6.0
541.33502	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	594.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91517	1.4
58.13445	1.5
60.05662	1.6
81.07056	2.6
89.03911	3.1
89.62871	1.4
117.03376	10.4
124.93823	1.5
138.38881	1.4
145.02852	30.0
146.03239	1.5
149.05991	4.3
177.05481	100.0
178.05804	4.9
186.05479	2.5
220.23343	1.5
251.09161	2.0
256.26630	1.8
282.84534	1.6
347.25958	1.6
360.97937	1.4
374.64178	1.5
493.23068	2.9
509.20255	13.0
531.33191	26.9
532.33545	1.7
576.15417	1.7
576.24524	1.6
593.26917	1.6
595.31360	2.1
599.95367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48865	8.8
55.01871	18.6
55.05514	51.0
57.03432	25.9
67.05508	88.6
69.07063	35.1
71.04987	15.0
79.05495	88.7
81.03418	36.6
81.07062	60.4
83.01324	7.9
83.04990	23.3
83.08625	37.4
83.13447	9.4
91.05487	94.7
93.06511	11.7
93.07053	100.0
94.78457	6.8
95.04990	27.4
95.08623	70.5
96.38850	8.1
97.06564	10.8
97.10199	21.6
98.23605	15.4
104.10728	12.7
105.04543	9.9
105.07034	97.8
107.04989	12.7
107.08589	50.2
109.06564	13.7
109.10172	32.1
117.07028	43.6
119.08575	75.9
121.10155	39.2
123.08073	14.9
125.09670	16.0
129.07016	22.3
131.08583	40.5
133.10150	72.4
135.11719	43.2
143.08554	26.8
145.10150	51.8
147.11702	32.2
155.08603	9.2
157.10126	19.7
158.10506	6.9
159.11691	27.3
160.11238	11.2
161.13292	25.1
163.11223	30.5
171.11705	17.6
173.13345	9.0
175.14809	12.4
178.12308	10.7
181.12253	11.4
183.11754	8.3
185.13274	12.4
193.61681	7.3
199.14975	12.6
209.11697	9.3
223.66618	7.4
227.12788	23.3
231.21191	10.9
241.19595	20.7
254.17467	7.0
259.20554	59.4
272.07510	7.4
283.15424	88.3
292.44208	7.3
315.23413	14.5
333.24365	40.5
365.50302	7.6
435.32181	9.9
449.30447	9.1
455.90674	7.5
467.31674	14.5
527.37091	50.9
541.34747	42.6
545.38336	47.7
559.39276	14.2
576.36212	8.0
577.40771	13.1
594.38000	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	595.1663
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03940	0.3
57.03441	1.3
61.02922	1.6
68.99786	0.4
69.03423	0.5
70.06624	0.2
71.04993	9.0
73.02910	0.5
73.70781	0.2
75.04479	0.3
81.84376	0.2
83.04972	0.4
85.02905	11.2
91.03953	1.1
97.02898	0.9
99.04441	0.2
107.04961	0.4
109.02907	0.4
111.00814	0.6
112.10582	0.2
121.02860	2.3
127.03922	0.7
129.05478	2.8
133.02873	0.2
137.02390	0.6
137.06038	0.5
145.04930	0.5
147.04396	0.5
147.06517	0.8
153.01826	2.7
157.06517	0.3
164.04156	0.2
165.01834	1.2
173.82907	0.2
183.02863	0.8
185.06015	0.3
197.06036	0.2
203.07051	0.3
213.05428	1.1
229.15404	0.2
231.06483	0.5
241.04913	0.5
258.05167	1.2
259.06091	0.3
275.18671	0.2
287.05487	100.0
288.05811	2.7
431.09802	0.3
449.10953	0.3
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
53.03936	0.3
55.01862	0.2
55.50689	0.2
57.03437	1.6
61.02939	0.5
68.99793	0.3
69.03423	0.9
69.43113	0.9
69.43451	0.3
71.04994	9.5
75.04476	0.4
81.03406	0.5
82.60126	0.2
83.04971	0.5
85.02905	13.7
87.04469	0.3
91.94444	0.2
96.32381	0.2
97.02898	1.3
99.04444	0.2
107.05001	0.3
109.02876	0.3
111.00775	0.5
121.02862	1.4
124.14070	0.2
127.03925	0.9
129.05481	2.9
133.02847	0.4
137.02370	0.5
145.04968	0.9
147.04405	0.5
147.06523	0.8
153.01817	2.4
157.06491	0.4
165.01846	1.2
175.03929	0.3
183.02951	0.6
185.05917	0.3
213.05498	0.9
231.06529	0.5
241.04974	0.5
258.05328	1.0
279.88638	0.2
287.05496	100.0
288.05838	2.6
329.06720	0.2
449.10828	0.6
555.87805	0.2
602.07971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91206	0.3
61.88751	0.2
61.89078	0.3
67.89611	0.3
69.99076	0.3
69.99429	0.7
74.71809	0.3
87.61147	0.3
89.99174	0.2
92.26809	0.3
98.22774	0.5
121.06517	0.5
267.10104	0.4
268.49756	0.3
396.88867	0.3
426.14240	0.7
429.13196	1.9
443.14804	1.2
444.15387	0.8
563.20367	0.4
565.18524	0.5
580.20551	4.7
595.23004	100.0
596.23395	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	595.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51886	1.0
55.05524	1.6
57.03443	2.2
57.07074	17.7
67.05511	4.6
69.07057	2.1
70.57446	1.8
71.08629	12.7
81.07072	4.9
82.44083	1.1
83.08620	3.5
85.10184	7.4
87.49811	1.2
95.08611	5.9
96.53429	1.3
97.10171	2.8
105.03445	1.3
109.45910	1.1
113.36918	1.0
120.96664	4.4
121.53716	1.1
128.84912	1.3
165.27502	1.2
176.99216	7.6
177.05481	2.4
191.62473	1.2
195.00371	2.0
203.05215	9.0
249.39348	1.3
265.00858	12.3
283.01904	30.1
301.01645	3.3
313.27411	21.6
353.26721	3.3
355.55200	1.2
357.05502	2.5
415.22183	43.0
433.23209	3.6
577.27484	5.7
595.28491	100.0
596.29053	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	595.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.6
57.03440	5.2
60.13695	1.3
64.59635	1.5
67.05506	33.6
67.90985	1.3
68.30740	1.5
69.07077	8.5
69.93820	3.9
75.20309	1.2
79.05502	18.6
81.03433	4.7
81.07063	27.6
81.07509	2.7
81.70327	1.3
83.08625	2.1
86.30846	1.6
91.05499	6.8
93.07055	18.7
95.04964	1.5
95.08616	21.3
97.06531	1.9
98.22680	1.5
98.98477	11.0
104.10801	1.3
105.07047	5.5
107.08598	8.1
109.02881	3.0
109.10144	6.9
117.06948	1.3
117.26930	1.3
119.08590	5.4
121.10172	5.6
123.11789	2.3
131.08572	3.8
133.10147	1.8
135.11679	3.7
145.10139	1.4
147.11682	2.0
149.13281	1.7
155.01083	2.0
256.56299	1.4
261.03699	3.0
261.22125	2.4
307.53751	1.3
335.25803	100.0
336.26294	4.0
473.09119	1.7
535.17590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90931	2.8
69.34432	12.7
97.11936	2.5
137.01874	5.4
282.72229	2.9
359.81128	3.0
389.74451	3.0
443.27426	11.9
461.28415	7.4
513.34021	100.0
514.34210	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	595.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.2
56.58593	0.2
64.88844	0.2
69.03423	0.5
69.38595	0.9
70.06591	0.7
79.05473	0.8
81.07056	7.7
82.06573	1.0
83.07355	0.5
84.08141	8.0
93.07008	0.2
96.08127	14.7
97.08340	0.2
97.08919	3.5
109.06515	2.8
110.09679	3.4
111.10466	0.3
122.09660	0.3
124.11227	0.4
136.11185	0.3
137.05974	15.2
137.11969	0.7
138.06375	0.2
138.12772	3.2
138.83746	0.2
139.13557	3.0
140.14362	1.2
164.14371	0.8
166.15839	0.3
184.33073	0.2
276.19574	100.0
277.19916	3.2
278.21167	0.3
313.18369	0.2
320.18533	4.0
336.83673	0.2
402.83224	0.2
460.32397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81160	0.3
55.00089	0.3
59.57330	0.4
69.89117	0.7
69.89482	0.6
70.06589	0.5
79.05471	0.4
81.07057	5.2
82.06583	0.6
83.07344	0.5
84.08142	5.9
96.08131	10.8
97.08914	3.7
103.41049	0.3
109.06525	2.2
110.09675	3.3
122.09696	0.7
124.11189	0.4
136.11203	0.6
137.05983	8.8
137.12019	0.4
138.12775	3.9
139.13545	1.9
140.14307	0.7
164.14346	3.3
200.98170	0.3
258.18347	0.3
276.19580	100.0
277.19934	3.0
320.18683	0.4
502.23163	0.4
573.58600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
55.82238	0.7
57.03462	0.8
57.07076	2.2
66.88584	0.7
69.25364	3.1
71.08628	2.0
81.07069	1.3
83.08627	0.8
95.08618	1.4
115.67697	0.8
128.25391	0.7
233.11519	1.0
283.15173	12.0
313.27252	1.4
339.17761	5.1
343.38998	1.0
543.63220	0.9
595.41785	100.0
596.42133	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	595.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38104	0.6
57.03428	0.9
57.07080	2.1
67.05496	1.4
69.24100	1.5
69.24503	3.5
71.08642	1.6
73.30482	0.7
77.24678	0.7
81.07053	1.8
83.08607	0.8
93.07027	1.1
95.08614	1.6
135.43102	0.8
257.25018	0.9
281.36673	0.9
283.15134	9.0
295.65579	0.8
313.27325	1.4
339.17609	4.1
469.06302	0.8
595.41815	100.0
596.42096	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	596.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49771	1.0
55.01867	19.0
58.99590	1.5
60.87743	0.8
65.03937	2.5
66.46442	0.9
69.67141	3.5
70.06585	2.5
74.00656	2.4
76.02219	1.6
76.03999	2.6
81.03410	2.2
83.04996	1.2
83.06107	9.8
84.04501	31.8
84.08143	1.9
86.09708	2.4
93.03384	1.8
99.02670	2.7
105.57474	1.0
107.04991	0.9
111.00745	0.9
111.04439	4.0
112.03974	21.5
119.04919	1.3
123.04413	4.9
127.02145	17.3
127.03891	6.4
128.04266	1.5
129.06584	16.2
129.10229	2.6
130.04997	94.4
135.02652	9.7
135.04382	1.6
137.05978	1.7
139.03896	72.7
140.04233	1.1
147.07634	1.4
149.00578	1.1
151.02097	1.3
151.03908	3.9
153.05478	1.3
153.06613	2.0
155.00359	1.6
155.01604	29.0
155.08202	1.3
163.02145	13.1
163.03906	26.7
165.00011	2.4
165.05469	2.1
167.01643	1.7
175.02159	3.5
178.03212	2.4
179.01605	22.0
181.03241	4.6
181.06088	1.9
183.01103	48.6
184.01620	1.0
189.00073	2.6
191.01648	13.0
195.01149	1.9
196.04283	3.2
199.07213	2.2
203.01639	6.8
207.01176	3.1
208.04248	4.3
209.02631	17.7
221.02707	1.5
226.05301	6.6
236.03806	1.2
237.02197	3.0
241.05048	2.0
242.05687	3.6
257.07797	1.2
266.04843	1.3
269.04279	1.5
270.05243	3.8
271.06009	2.6
275.03696	1.5
281.05902	2.4
282.04291	14.2
289.06952	1.5
292.06534	1.8
299.07043	1.5
303.03201	22.7
303.26999	1.1
312.05368	8.8
329.07996	100.0
330.08356	2.3
346.07437	2.0
347.05804	2.1
357.04321	1.5
364.08121	1.1
365.07758	1.5
383.09061	13.0
409.08798	2.0
432.07382	3.3
440.11203	2.5
449.10019	7.5
458.12271	65.9
467.11072	3.6
503.10965	3.7
521.12262	13.3
578.14081	1.3
596.15515	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01867	0.6
55.05503	1.2
57.03430	1.3
60.54461	0.4
61.02920	1.4
64.61527	0.4
67.05492	0.7
69.03427	7.7
69.07079	0.4
70.06711	1.1
71.04994	2.9
73.02906	1.1
79.05508	0.8
80.05005	0.8
81.03410	1.8
82.06586	0.7
83.04972	1.2
83.08604	0.4
85.02912	6.4
87.04478	0.8
91.03924	0.4
91.05472	1.5
93.07041	1.5
94.06594	1.0
95.08606	0.6
96.08122	0.7
97.02893	2.6
97.06505	0.6
98.06067	0.5
99.04461	1.9
100.07639	1.9
105.07024	1.1
106.06545	0.7
107.08653	0.4
108.08127	0.4
109.02892	0.4
109.06574	0.4
111.08021	0.9
117.07004	0.9
118.65226	0.4
119.08561	1.2
120.08086	0.8
121.06445	0.8
123.08084	0.8
124.07600	1.1
125.05929	0.7
127.03922	3.0
128.06238	0.8
128.07079	3.9
129.07033	1.2
131.08578	1.4
132.08098	0.6
133.10144	0.9
134.09641	0.9
135.08066	0.9
136.07558	0.9
139.03897	1.0
139.07571	0.5
143.08572	1.0
144.08031	0.9
145.08910	0.6
145.10115	1.2
146.06007	0.6
146.09688	0.6
147.08038	0.5
147.11664	0.5
148.07585	1.0
148.11223	1.0
149.05957	0.8
150.09123	2.5
154.08656	0.6
155.08592	1.2
157.10104	1.0
158.06000	0.5
158.09598	0.8
159.06863	0.4
159.08090	1.7
159.11700	0.8
160.07581	1.9
160.11215	2.4
161.09653	1.4
162.09152	2.3
162.12778	3.7
164.74657	0.4
169.10176	0.7
170.09634	0.6
171.08031	0.8
171.10477	0.6
172.07603	0.9
172.08987	0.4
172.11209	1.1
173.09636	1.2
174.09175	1.3
174.12808	0.6
175.07549	0.5
175.09908	1.9
175.11159	0.9
176.10715	1.5
177.09171	0.8
180.13797	0.9
183.11716	0.9
184.08778	0.5
184.11304	0.4
185.09639	1.1
186.09041	0.9
186.10533	0.8
186.12779	2.3
187.07487	0.6
187.09828	0.5
187.11275	0.9
188.10706	3.8
188.14323	1.1
189.09151	1.0
189.11246	0.6
189.12830	0.7
190.12265	16.4
191.10698	0.6
198.09042	0.7
199.11255	1.0
200.10617	3.1
200.14441	0.4
201.12830	0.9
202.12244	2.6
203.10825	0.7
203.13075	3.3
204.13844	3.1
206.11794	0.7
208.13377	1.8
211.11339	0.6
213.09189	0.5
213.12767	0.5
214.12312	3.1
214.15738	0.9
215.10591	0.8
215.14438	0.8
216.13828	2.4
218.11765	5.9
219.12331	0.6
220.13280	0.7
222.70233	0.4
225.35056	0.4
226.12248	0.4
227.10750	0.5
228.13748	0.6
229.08731	0.6
229.12253	1.3
230.11667	0.7
230.15503	0.5
231.13867	0.6
232.13319	29.4
232.17035	2.0
233.13823	1.9
234.14909	2.9
236.12788	1.1
242.15414	4.5
243.13716	0.6
243.15971	0.6
245.11841	0.6
245.15456	0.5
247.13310	0.7
248.12820	3.1
249.13649	2.5
252.13777	0.5
260.16476	13.0
260.19205	0.7
261.14914	0.7
261.17258	3.6
262.14398	0.6
263.16492	1.2
269.43832	0.4
270.14951	1.7
271.07413	0.4
271.13263	0.6
273.11310	0.5
274.14447	0.8
280.13388	0.5
284.16656	0.4
288.15915	10.8
289.13861	2.5
289.16745	1.7
306.16998	43.0
307.17905	20.4
308.18182	0.5
342.30145	0.5
358.20267	1.0
360.18027	1.5
390.22772	0.6
406.21979	0.5
416.20776	5.3
434.21735	100.0
435.21945	4.7
495.88193	0.4
596.26593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01843	1.4
55.05480	1.3
57.03411	1.3
57.73915	0.4
57.95487	0.3
61.02888	0.9
67.05483	1.0
67.28990	0.4
68.05009	0.5
69.03429	6.2
70.06580	0.5
71.04989	2.4
71.46162	0.4
73.02883	0.8
79.05477	2.3
80.04987	1.4
81.03379	1.6
81.07040	0.9
82.06548	0.7
83.01311	0.5
83.04945	1.3
83.08591	0.7
84.08118	0.8
85.02906	7.1
86.98188	0.3
87.04455	0.4
91.05439	1.2
92.11108	0.4
93.07054	2.7
94.06552	1.3
95.04918	0.7
95.07312	0.7
95.08563	1.4
96.08089	0.5
97.02882	3.6
97.06532	0.5
98.06035	0.6
99.04453	2.2
100.07614	1.9
105.07005	1.5
106.06523	1.2
107.08594	1.7
108.08131	0.5
109.02873	0.9
109.06488	0.8
110.06055	0.6
110.09672	0.5
111.06792	0.5
111.08044	1.1
115.05421	0.5
117.06997	0.6
118.06550	0.4
118.53215	0.4
119.08543	1.0
120.08077	1.2
121.06492	1.0
121.10123	0.3
122.09645	1.3
123.08005	0.6
124.07569	1.0
125.09602	0.4
127.03907	2.8
128.07068	2.8
129.06978	0.9
130.06548	0.5
131.08566	1.1
132.08067	1.5
133.06490	0.5
133.10057	0.8
134.06018	0.4
134.09607	1.4
135.08058	2.0
136.07561	0.5
136.11148	0.8
139.03935	0.8
141.06982	0.4
142.07735	0.4
143.08502	1.2
144.08040	1.0
145.06493	0.4
145.08861	0.8
145.10112	1.4
146.05991	0.8
146.09644	1.4
147.08026	0.6
148.07558	1.8
148.11209	0.9
149.06026	0.5
149.09634	0.6
150.09152	4.2
153.05510	0.4
153.09084	1.1
155.08546	0.8
156.07968	0.4
157.08922	0.7
157.10106	0.9
158.05989	1.0
158.07210	0.5
158.09633	1.0
159.06735	0.5
159.08044	0.6
159.11696	0.5
160.07574	5.0
160.11200	3.1
161.09628	1.3
162.09163	4.3
162.12770	5.3
163.03891	1.1
163.09863	0.5
164.10686	1.3
165.09111	0.5
165.10416	0.4
166.08775	0.5
169.10068	0.7
172.07536	0.9
172.08873	0.5
172.11198	2.2
173.09622	0.8
174.09131	2.6
174.12732	0.9
175.09874	3.5
175.11183	0.6
176.10686	2.2
176.14279	0.4
177.09088	1.3
178.53615	0.4
180.13779	1.1
182.11836	2.3
183.11766	0.5
184.11217	0.9
185.09581	0.7
186.09103	0.9
186.12820	3.3
187.07562	0.6
187.09850	1.2
187.11313	0.8
188.10703	5.0
188.14304	2.0
189.09077	0.7
189.11432	0.5
190.12263	28.0
191.12628	0.9
196.11166	0.6
197.09514	0.5
198.09076	0.6
199.07701	0.5
199.11250	0.5
200.10669	3.3
200.14328	0.4
202.12254	4.0
203.13014	5.8
204.13814	5.5
206.11740	0.8
206.15381	0.5
207.10153	0.5
208.13315	3.4
211.11185	0.5
213.12666	0.6
214.12279	4.0
214.15884	1.3
215.10745	0.4
215.14420	0.4
216.13826	3.5
217.14319	0.7
218.11736	7.5
219.10400	0.5
219.12474	1.7
220.13332	0.9
226.12299	0.4
228.13780	0.8
229.12250	0.8
230.11734	1.6
230.15356	0.7
231.12445	1.1
232.13319	45.8
232.16652	3.2
233.13925	3.4
234.11253	0.8
234.14871	3.6
236.12773	1.5
242.11684	0.6
242.15411	7.5
243.16055	0.6
244.13206	0.5
244.16988	0.8
246.14906	1.2
248.12836	5.0
249.13622	5.2
252.13789	0.6
255.10010	0.5
256.13208	0.6
258.15192	0.4
260.16452	20.2
260.87570	0.4
261.14774	0.7
261.17215	4.8
262.14508	0.7
262.17667	0.7
263.16403	0.5
264.15765	0.4
270.14838	3.1
274.14410	0.7
274.17819	0.5
278.17523	0.5
288.15939	17.4
289.14120	1.2
289.16937	2.6
290.17368	0.5
306.16986	71.9
307.17773	35.8
308.18158	1.3
318.17062	0.5
320.18542	2.8
328.15283	0.4
336.17984	3.5
358.20096	0.6
360.17993	1.4
370.20233	0.6
384.17767	0.4
388.21228	1.0
390.22894	0.6
398.19653	0.6
416.20673	7.6
432.20239	0.8
433.20685	0.9
434.21719	100.0
435.22031	5.2
498.23352	9.2
499.23352	0.6
596.26660	6.0
597.27032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72095	0.7
68.04997	0.9
69.03434	2.6
70.06606	0.8
70.82053	1.2
76.10853	0.7
79.05493	0.9
80.05033	2.3
81.07085	0.9
84.08141	1.0
91.05501	1.9
91.23540	0.8
93.07062	1.1
94.06599	1.6
95.04993	1.2
99.04466	0.8
105.07023	3.8
106.06585	0.8
107.08644	1.5
107.10961	0.7
109.06516	1.3
110.09711	0.9
111.56863	0.6
115.05469	1.2
117.06289	0.7
117.07054	2.6
118.98270	0.8
119.08608	1.2
121.06501	0.9
122.09715	2.8
123.04474	1.0
124.07593	0.8
127.03971	1.1
128.06224	1.3
129.07091	0.8
130.07813	2.4
131.08618	0.7
145.06555	0.8
145.10168	3.8
147.08092	1.6
150.09138	4.2
151.07588	0.8
152.10744	1.1
155.08556	1.1
158.07330	2.2
161.05991	1.0
161.09598	1.2
163.11215	1.2
168.10245	5.4
173.09625	9.8
175.11266	1.4
179.10703	2.9
180.10213	3.1
182.11766	7.7
183.06554	0.9
191.10670	1.3
198.11325	1.8
205.12282	5.1
206.11809	1.0
231.10205	1.4
274.49997	0.8
290.17636	1.1
318.16919	1.9
331.31110	1.0
336.18109	4.7
340.19098	4.0
342.17123	2.3
360.17688	1.4
372.21625	1.5
404.58539	1.0
416.20786	12.2
434.21741	100.0
435.22034	5.3
450.63504	0.9
481.75143	0.8
596.27075	97.9
597.27386	3.7
604.04712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05508	1.6
57.03432	7.7
60.04521	0.8
60.55789	0.6
66.35251	0.7
67.05499	1.1
69.03433	7.4
69.15340	4.3
69.18320	0.6
70.06592	1.0
71.04992	57.7
73.02916	1.2
75.04466	2.6
79.66045	0.6
81.03417	0.8
83.04980	4.0
84.08141	0.8
85.02905	74.2
87.04466	1.7
91.05488	1.0
95.04991	0.8
95.08590	1.2
97.02882	2.6
99.04435	1.3
100.57373	0.7
103.96652	0.7
105.07062	0.6
109.02832	1.1
111.04440	2.5
121.06505	1.0
123.04401	0.8
124.82556	0.6
127.03905	3.9
129.05475	28.1
129.67581	0.7
139.90904	0.7
145.04962	2.2
146.08101	1.7
147.06522	11.5
151.07524	3.5
164.09174	3.8
167.07069	0.8
167.08455	1.0
177.09103	1.4
182.11841	0.7
193.10112	4.2
194.10860	0.6
195.08096	0.8
196.08849	1.9
210.10385	1.6
211.11198	5.3
221.09650	1.8
222.10320	1.6
224.08345	3.4
225.09154	1.5
225.12740	5.4
238.09946	3.8
239.10660	16.3
239.97441	0.7
240.11397	8.6
241.08629	2.5
253.12222	9.3
255.13820	10.0
256.10986	10.2
267.14032	0.9
269.11734	3.5
271.13281	100.0
272.13644	2.8
272.16299	1.0
280.10986	1.4
281.11707	4.9
283.13290	1.6
293.11728	2.5
295.13266	7.8
307.13251	1.3
313.14310	2.5
335.16632	0.9
337.14279	7.0
363.16031	2.3
381.16870	1.1
397.16187	1.0
399.18063	1.5
417.19168	1.0
498.22379	2.2
579.88037	0.8
596.25616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67410	0.6
55.05515	1.0
62.63080	0.7
67.05511	1.4
69.03441	3.3
69.78984	1.6
69.79372	1.3
79.05481	0.8
80.05022	1.4
81.03377	0.9
85.02889	1.5
91.05473	1.9
93.07045	1.6
94.06568	2.3
95.07378	0.7
95.08600	1.4
97.02898	1.7
99.04507	0.9
100.07617	1.3
105.07035	1.3
106.06564	1.0
107.08629	1.2
109.26931	0.7
111.08036	0.9
117.07019	0.7
119.08601	1.0
120.08143	0.9
121.10091	0.8
121.48400	0.7
122.09680	1.5
124.07653	1.7
127.03898	1.5
128.07091	1.7
129.07050	0.8
130.06453	0.9
131.08534	0.9
132.08076	1.2
133.10063	0.8
134.09698	1.5
143.08575	1.2
144.08092	1.0
145.08955	0.8
145.10135	1.3
146.09642	0.8
148.07599	2.0
148.11176	0.7
150.09129	3.3
153.09012	1.1
158.06082	1.3
159.10379	0.8
160.07558	3.4
160.11237	2.9
162.09106	3.5
162.12805	5.6
164.10703	1.0
168.10229	0.7
172.07549	1.3
172.11279	1.4
174.09158	2.3
174.12830	1.1
175.09976	2.8
176.10687	2.1
177.09135	1.5
178.12289	0.8
180.13902	0.8
182.11792	1.4
184.11340	0.9
186.12779	2.6
187.09988	1.2
188.10727	4.6
188.14392	2.1
190.12267	31.6
200.10713	4.9
202.12282	3.6
203.13007	5.4
204.04037	0.8
204.13782	4.6
208.13417	3.0
214.12286	4.4
214.15852	1.1
216.10280	0.8
216.13847	3.3
217.14450	1.0
218.11786	8.2
219.12450	1.8
220.13300	1.0
228.13896	1.3
228.18141	0.8
230.11765	1.5
231.12558	1.4
232.13324	53.5
232.17067	2.9
233.14000	3.4
234.11250	1.0
234.14928	4.4
236.12802	1.8
242.15350	8.0
246.14989	1.7
247.12308	0.8
248.12865	7.4
249.13582	4.4
260.16449	23.7
261.17197	5.3
262.14432	1.1
270.14822	3.9
278.17453	1.2
288.15930	20.0
289.16672	2.9
305.14130	0.9
306.16986	70.0
307.17764	35.6
308.18124	1.3
320.18582	1.8
336.18188	2.2
340.18768	0.8
360.18158	1.7
416.20578	6.8
434.21744	100.0
435.22101	3.5
498.23291	3.3
506.54343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
55.01879	4.3
55.05512	16.2
57.03436	6.4
57.07068	3.7
65.03947	3.7
67.05506	79.8
68.70758	1.6
69.03444	3.1
69.07064	16.3
71.04986	3.2
73.02942	3.4
79.05497	49.7
81.03427	5.0
81.07059	90.0
83.04990	3.4
83.08616	9.9
85.02905	2.9
85.06530	4.1
91.05479	25.1
93.07048	61.6
94.07360	1.9
95.04974	4.0
95.08609	74.3
96.08956	2.2
97.06559	2.8
97.10178	4.6
99.04457	2.0
99.08142	1.9
105.04564	2.8
105.07038	22.9
107.08592	41.7
109.02887	5.8
109.10151	37.3
110.03651	2.3
111.04447	3.1
111.08092	4.0
117.07016	9.5
119.08576	19.2
119.82034	1.7
121.10144	41.3
123.08071	2.4
123.11716	18.3
125.09625	1.9
127.03916	3.1
127.11149	1.8
131.08569	21.2
133.10146	17.3
135.11705	32.4
137.09682	2.2
137.13258	9.1
139.11197	2.7
143.08646	2.6
145.10129	18.2
147.11719	17.2
149.02371	6.6
149.13252	24.2
150.02670	3.7
151.11101	2.0
151.14864	3.4
153.12779	1.8
157.10112	2.1
159.11726	15.3
161.13264	13.7
163.14813	16.2
173.13263	16.1
174.74055	1.6
175.14902	3.1
177.16434	7.4
179.14343	3.4
187.14859	8.4
191.00049	2.8
191.14432	2.6
193.05008	4.3
193.73158	1.7
194.05321	2.4
197.86752	1.7
201.16331	3.7
205.15900	2.5
233.22762	5.1
243.21072	35.7
244.21605	2.0
248.96916	1.7
261.22134	100.0
262.22586	5.0
262.94901	1.7
279.23145	6.1
335.25778	30.4
337.27524	3.1
353.26886	39.5
354.26959	2.0
561.17615	1.6
561.26984	9.4
579.14221	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	596.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01877	2.5
55.05512	10.8
56.02541	2.1
57.03432	6.4
57.07071	2.9
57.30585	2.5
67.05504	63.9
68.73951	1.9
69.07064	16.5
71.05006	2.5
71.08623	2.8
71.42731	3.3
74.04640	2.6
79.05499	36.0
81.03421	4.5
81.07060	65.5
83.04974	3.2
83.08618	7.4
84.71226	2.5
85.06543	4.0
91.05487	23.8
92.38770	2.3
93.07043	59.2
95.04961	6.4
95.08609	60.2
97.06557	4.3
97.10205	3.5
99.08099	4.7
99.29715	2.4
104.10752	5.3
105.04509	2.5
105.07028	20.6
107.08585	35.1
107.09260	3.3
109.02838	4.8
109.10159	28.6
111.08100	2.3
117.07011	7.8
119.08562	18.0
121.10143	34.4
123.08091	3.2
123.11712	16.3
124.57471	2.2
125.09609	2.5
127.03955	2.4
131.08560	20.0
133.10120	19.7
135.11713	23.6
136.99106	2.0
137.13255	5.7
145.10147	17.9
147.11661	14.0
149.13254	17.6
151.11162	2.8
151.85638	2.2
159.11740	13.3
161.13277	11.1
163.14838	12.1
165.12784	2.9
173.13261	12.6
175.14790	5.7
177.16345	5.0
187.14861	9.8
191.00116	2.7
201.55312	2.1
205.15889	2.8
233.22682	3.1
243.21094	31.5
261.22147	100.0
263.23749	3.7
279.23083	3.6
335.25757	16.1
337.27396	12.4
353.26868	37.5
387.37622	2.3
477.28247	2.4
477.35126	2.6
538.30493	3.2
561.27490	4.3
596.33710	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	596.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
54.41738	1.2
55.01873	2.2
55.05510	8.0
57.03445	2.0
57.07068	2.1
58.96299	1.3
59.05006	2.1
60.04512	1.5
61.02924	2.3
67.05501	12.9
69.03436	9.9
69.07061	6.5
69.49306	1.2
69.87414	1.4
70.06606	2.6
71.04997	12.7
71.05359	1.8
72.63593	1.4
76.83259	1.4
77.03918	1.5
79.05099	1.4
79.05498	9.0
81.03416	3.8
81.07060	33.0
81.07510	2.7
82.36245	1.3
83.04987	6.0
83.08617	2.4
84.08123	1.6
85.02905	21.8
85.06545	4.0
86.03236	2.0
91.05486	10.5
93.07047	33.1
95.04959	4.0
95.08603	26.5
97.02912	6.2
97.06530	24.1
97.07113	1.8
97.10160	1.9
99.04445	3.4
105.04549	1.4
105.07028	22.9
107.08595	20.2
109.02869	3.5
109.06529	7.8
109.10145	12.9
110.63821	1.3
111.08101	5.6
115.03949	5.3
115.07648	1.5
117.07008	4.0
119.08574	21.9
121.06554	1.5
121.10149	14.6
123.08063	12.2
123.11720	9.0
125.06056	1.7
125.09631	6.1
127.03928	5.8
127.11186	3.2
129.05498	1.6
131.08568	8.6
133.10127	28.0
135.08061	2.0
135.11725	8.1
137.09650	6.2
140.61046	1.6
143.08572	2.2
143.10695	5.8
145.04987	4.6
145.10110	23.7
147.11679	15.4
149.13266	2.3
151.07550	1.5
151.11150	6.7
153.01845	1.6
155.10603	2.1
157.10178	3.0
159.11687	15.6
161.13268	8.8
163.03894	1.9
163.06067	2.5
163.11211	4.3
173.13312	4.5
175.14769	2.5
176.87393	1.4
177.16409	2.0
182.11826	1.6
191.17992	5.8
201.16389	29.6
203.17982	2.0
219.17442	100.0
220.17815	3.0
237.18463	11.8
240.22488	1.5
271.05994	4.7
272.06403	5.0
278.17657	2.0
287.05521	23.5
288.05887	24.9
292.19086	1.7
314.98895	1.5
320.15002	5.5
360.14383	2.3
363.21692	1.7
381.22614	2.4
399.23715	1.5
434.22662	1.6
450.10873	2.0
596.27203	15.0
597.18085	2.4
597.26788	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	596.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01880	9.1
55.05511	56.4
57.03439	18.8
57.07072	1.9
59.05004	6.0
61.02924	4.5
65.03925	2.3
67.05507	100.0
69.03430	5.6
69.07068	12.4
69.37854	3.7
69.38265	1.9
71.01351	1.7
71.04990	4.4
72.78922	0.9
73.02922	3.2
74.43953	1.0
75.04469	1.4
79.05497	25.2
81.03426	11.7
81.07059	34.4
83.01332	1.3
83.04987	11.5
83.08619	21.0
85.02909	24.7
85.06535	3.7
87.04469	11.1
87.68459	1.0
89.72974	1.1
91.03938	2.9
91.05481	14.7
93.07045	14.6
95.04977	9.3
95.08614	13.3
97.02895	6.7
97.06534	5.3
97.10172	34.1
99.04475	1.9
99.08114	1.2
101.06027	1.3
103.03952	14.8
105.07056	5.6
107.04954	4.7
107.08588	19.3
109.02850	1.2
109.06512	3.5
109.10158	81.0
110.10513	1.4
111.04463	5.6
111.08100	5.4
117.07031	2.9
119.08581	9.0
121.10126	4.6
123.08063	4.1
125.09634	49.5
127.03962	1.2
129.05504	1.5
129.06984	1.8
131.08554	3.5
133.10133	1.5
135.08022	1.5
135.11717	7.1
137.09634	4.4
138.95674	0.9
141.09055	1.3
143.10677	9.4
145.10155	6.7
147.08038	2.4
147.11638	1.5
153.12744	12.5
155.10680	10.4
159.06578	2.3
159.10107	1.4
163.11151	15.0
165.33896	1.1
167.10677	1.1
173.04524	1.3
173.09590	1.8
173.11736	41.9
174.12096	1.2
181.12250	10.6
189.11182	3.6
191.10735	5.2
193.12186	3.4
197.01537	1.0
199.13301	9.8
204.42186	1.0
209.11711	16.4
217.14400	8.1
227.12772	19.1
229.14355	71.7
230.14859	1.2
245.13931	3.8
257.13837	25.0
259.35086	1.1
267.15979	2.1
283.15369	15.9
301.16455	49.4
302.16714	1.1
319.17535	13.8
388.21201	5.7
399.23404	5.1
596.18176	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	596.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18439	1.6
55.05500	1.6
69.51169	2.9
69.51553	3.8
77.64508	1.3
84.44411	1.3
89.03913	3.6
98.22732	2.8
117.03378	9.6
129.98856	1.4
135.04454	2.0
137.05994	2.1
145.02859	32.3
149.05946	4.2
177.05466	100.0
178.05867	2.1
179.05740	1.4
186.05469	2.7
296.35104	1.5
340.24100	1.6
357.29739	2.4
415.28528	1.8
502.73691	1.7
511.21878	2.8
533.34680	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	596.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.3
57.03434	8.7
57.07072	8.5
59.44201	4.4
60.08154	9.5
67.05523	29.1
69.07084	14.7
71.03943	4.1
73.16559	3.9
77.03242	3.7
79.05509	29.7
81.03423	20.9
81.07053	26.4
83.04963	4.4
83.08622	12.4
85.02888	5.7
86.09707	15.4
91.05480	47.5
93.07050	37.0
94.50323	4.7
95.04966	15.7
95.08612	16.7
97.06533	5.9
97.10169	5.6
103.80222	4.4
104.10075	4.1
104.10744	100.0
105.07047	34.2
105.11085	11.9
107.08596	19.5
109.10174	8.6
109.31479	4.3
111.08125	6.2
117.07063	9.3
119.08566	25.6
121.10156	15.5
123.07975	5.1
123.89074	5.6
124.78999	4.1
129.06982	7.7
131.08577	15.0
133.10162	26.9
135.11732	8.1
145.10120	10.1
147.11690	15.4
149.09676	5.6
157.10158	9.0
159.11748	8.3
161.13350	9.2
162.27335	4.9
163.11206	5.4
175.07504	5.8
180.95833	8.9
183.70651	4.6
193.12282	15.8
198.96817	12.2
211.13234	15.1
230.54617	4.5
241.19611	12.0
242.19954	4.6
259.20593	30.7
267.16068	5.9
281.94778	4.8
285.17004	15.6
333.24408	22.5
449.27951	6.0
543.36761	17.0
596.35834	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	596.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39708	2.7
53.03940	5.7
55.01874	4.1
55.05512	28.8
57.03445	19.2
57.07068	6.0
62.60165	2.6
67.05511	65.5
69.03437	5.6
69.07077	19.0
69.27282	6.6
69.27687	9.9
71.04996	7.7
71.08636	35.3
71.50611	2.7
79.05492	65.8
80.69021	2.8
81.03419	48.8
81.07062	84.2
83.04980	21.3
83.08633	25.1
85.02910	25.5
85.06557	5.2
86.09696	4.9
91.05488	61.1
93.07051	77.0
95.04976	34.9
95.08612	46.7
95.97230	3.1
97.06517	11.5
97.10186	5.6
99.08114	20.6
105.07043	41.1
107.04936	11.2
107.08601	39.4
109.06527	6.8
109.10175	17.1
111.04496	4.2
111.08038	10.7
113.09655	5.0
117.07042	7.4
119.08585	34.8
121.06473	2.6
121.10140	33.2
123.08070	4.6
123.11732	4.8
129.07030	14.5
131.08589	14.1
133.10120	23.3
135.11700	34.1
137.09650	6.9
141.09109	7.2
142.07794	5.0
143.08595	4.3
145.10146	7.2
147.11685	21.4
149.09630	7.9
149.13268	9.7
151.11185	16.1
153.12811	3.0
157.10153	10.7
159.11714	4.7
161.13243	15.4
163.11203	6.0
163.14748	3.3
165.12791	4.9
167.10646	4.0
171.11633	3.6
173.13342	3.5
175.11194	11.3
177.12799	4.6
179.14316	100.0
184.07368	12.4
193.12247	24.9
211.13292	36.1
221.15187	4.8
235.16975	5.6
251.38449	2.9
259.20599	5.9
267.15915	29.8
277.21631	68.6
285.16983	93.3
286.17245	4.9
351.25317	36.7
421.86014	3.0
427.01099	3.5
543.36969	50.3
544.36401	3.8
561.37927	84.4
562.38025	6.5
562.98022	3.5
596.36938	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	596.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07729	5.2
55.01872	6.8
55.05520	28.8
57.03442	14.1
57.07067	11.3
60.59951	4.7
67.05519	72.8
68.27488	4.6
69.03460	7.7
69.07064	25.2
71.08633	8.5
79.05502	65.7
81.03427	19.6
81.07065	64.6
83.01338	7.1
83.04978	11.9
83.08620	18.7
85.02926	6.6
85.06571	5.2
91.05499	33.7
93.07059	67.2
95.04976	15.2
95.08594	43.7
96.06155	4.7
97.02943	5.2
97.06544	8.7
97.10160	14.4
99.08121	6.2
105.07036	43.6
107.04976	6.2
107.08600	45.3
108.29900	5.9
109.06515	9.7
109.10172	23.6
111.08094	7.8
117.07033	17.0
119.08607	31.8
121.10138	34.0
123.08128	7.6
123.11710	8.2
125.09576	8.1
131.08595	22.6
133.10155	17.0
135.11710	28.1
143.08557	5.3
145.10109	29.1
147.11703	16.0
149.13228	7.8
150.43805	4.9
153.12743	6.1
157.10101	9.7
159.11708	7.9
160.11241	21.0
161.13351	10.3
163.11227	15.3
167.10706	7.8
175.14906	7.4
179.14340	15.7
187.14815	12.1
189.11261	9.8
193.12347	8.4
199.14862	7.5
211.13295	13.8
227.12874	18.4
235.95001	5.0
243.21165	14.8
258.08987	22.9
259.20544	7.1
261.22177	18.9
267.15985	8.1
270.85825	5.8
277.21634	18.8
283.15424	64.0
285.16986	12.4
299.23730	10.4
317.24750	8.3
335.25943	43.8
351.24792	5.3
451.32196	6.6
525.36151	10.1
543.36853	100.0
544.37561	7.9
561.37885	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	597.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
67.05491	2.7
69.03426	3.0
69.07053	3.0
70.06583	1.8
70.42729	1.0
70.50494	2.4
79.05486	2.6
80.51534	1.0
81.03407	2.6
81.07073	5.1
83.01113	3.1
85.02903	5.1
85.06548	2.1
91.05482	2.6
93.07029	3.4
95.04971	2.4
95.08611	3.1
97.02900	2.4
97.06523	5.4
99.04426	1.3
99.88458	1.1
101.18034	1.0
105.07027	4.6
107.04996	1.3
107.08591	3.0
109.02872	2.1
109.06500	1.1
109.10133	3.1
111.04499	1.3
119.04935	3.1
119.08548	1.3
121.02659	1.2
121.10167	2.3
123.04247	1.9
125.42848	1.0
127.03845	3.4
131.08591	1.3
133.10208	1.6
135.08070	2.0
137.09644	1.5
137.13286	1.3
145.04919	2.1
145.10141	2.1
147.04395	4.7
155.86647	1.1
167.07172	1.5
169.04735	1.8
169.08694	1.4
181.08633	2.0
185.04248	1.7
210.14830	1.7
215.10751	1.1
237.14827	2.6
238.15167	3.1
243.08397	5.7
257.11780	4.3
261.09470	5.6
272.50461	1.2
274.62814	1.3
315.10477	2.3
355.15036	1.4
379.13681	12.6
388.21204	9.2
388.71384	2.2
389.21423	1.7
393.15204	7.9
394.15997	17.1
402.70752	1.8
403.21198	1.5
404.22330	1.4
449.21497	33.3
493.20425	19.0
511.21527	2.9
553.22571	41.2
554.22961	1.1
589.88153	1.2
597.21448	100.0
598.21802	5.8
612.63977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2177
Annotation	Magnolenin C
Peak:m/z	Relative Intensity
54.13653	1.3
54.72237	1.3
55.01870	2.3
57.02549	1.6
57.03435	2.3
60.04521	1.6
61.02909	2.1
69.03417	3.9
70.06573	1.8
77.86993	1.3
79.05506	2.3
81.03410	4.2
83.01331	4.1
85.02914	16.1
91.05479	62.2
91.06048	3.0
93.42795	1.3
97.02902	4.1
99.04355	1.3
101.12540	1.4
103.05437	2.3
105.03342	1.7
105.07029	100.0
109.02868	4.0
115.05460	10.2
117.07024	3.8
121.06477	3.9
127.03915	3.4
129.06989	3.1
133.06459	11.3
137.05974	5.6
140.21387	1.4
141.07043	1.5
143.32896	1.6
148.13499	1.5
151.07599	1.8
153.05464	12.0
157.06494	7.9
161.06013	1.6
163.03865	3.4
165.05460	11.3
167.07063	2.5
173.05975	2.0
177.05492	2.9
179.07106	3.1
182.07826	1.5
183.06412	2.2
189.05511	3.6
191.07045	1.6
201.05435	3.2
203.07050	2.2
205.08548	2.8
207.06532	6.0
209.43158	1.6
219.06544	7.7
231.06500	3.3
249.07550	2.2
251.10646	3.4
257.11737	3.5
267.10178	3.9
273.11188	14.4
276.19565	5.1
277.19943	4.8
278.21213	10.1
285.11206	12.9
291.10056	1.6
297.11197	30.6
300.45071	1.5
305.12332	1.4
315.08572	3.2
315.12234	42.3
323.20294	1.6
333.11212	3.4
339.12241	41.8
345.11066	4.2
351.12286	20.1
363.12296	8.8
369.13254	3.9
381.13266	16.1
399.14346	20.4
417.15378	24.9
423.17288	1.9
435.16461	6.2
440.20850	1.5
448.45911	1.6
489.54498	1.6
597.28210	2.2
622.69006	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3038
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03947	0.9
53.95416	0.5
55.05516	13.3
57.03442	8.6
57.07083	2.6
65.03948	1.2
67.05508	30.0
69.06713	1.2
69.07072	17.0
69.11095	3.9
69.58358	0.5
71.05002	0.9
71.08640	1.1
79.05495	9.4
81.03425	2.9
81.07062	32.6
83.04995	0.8
83.08622	9.7
85.02882	0.8
85.06518	0.7
89.21155	0.5
91.05487	6.0
93.06518	0.8
93.07050	8.0
95.04951	0.8
95.08611	22.8
97.06517	1.8
97.10163	4.0
98.23457	1.0
98.98476	10.3
99.08071	0.9
105.07051	4.2
107.08608	3.9
109.02895	3.6
109.10165	9.7
111.08066	1.1
111.11693	0.8
119.08590	2.9
121.10160	3.7
123.08027	0.7
123.11710	3.1
133.10138	2.4
135.11661	1.9
137.13260	1.3
147.11665	1.7
149.13243	1.5
150.52539	0.6
155.01056	3.1
161.13245	1.4
163.14891	0.7
175.14906	0.8
176.13686	0.6
223.15018	0.5
241.14450	0.5
245.22710	1.1
261.03745	2.0
263.23724	2.5
301.20215	1.4
317.06619	0.5
331.83063	0.5
335.07510	1.2
337.27377	100.0
338.27695	6.4
462.61749	0.7
561.28204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3038
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03941	1.1
55.05265	0.7
55.05514	10.6
57.03442	5.5
57.07069	2.1
65.03929	1.8
67.05507	35.6
69.06718	0.9
69.07071	15.9
69.31327	2.7
71.03319	0.5
71.04967	1.1
71.08644	0.8
75.04485	0.8
79.05497	9.1
81.03421	5.9
81.07059	35.9
83.04980	1.3
83.08627	5.6
85.02916	0.9
91.05480	6.3
93.07048	10.8
95.04973	1.5
95.08606	26.7
97.06521	1.9
97.10161	3.7
98.98467	38.0
99.04452	1.2
99.08091	0.9
105.04516	0.7
105.07034	5.0
107.08588	6.4
109.02882	5.2
109.10155	8.8
111.08068	1.0
111.11716	0.9
117.07001	0.6
119.08576	3.8
121.10139	5.3
123.11684	5.4
127.03958	0.8
131.08592	0.6
133.10139	4.9
135.11729	2.9
137.13266	1.8
147.11674	1.8
149.13258	2.4
151.14832	1.4
155.01041	22.7
161.13260	2.1
163.06084	1.0
163.14783	1.5
173.02119	2.2
175.07600	1.3
175.14850	1.6
193.05070	0.6
245.22688	4.2
256.26328	1.0
261.03741	1.9
263.23700	10.4
317.06296	6.0
319.26382	2.7
335.07266	3.2
337.27362	100.0
338.27725	3.4
414.63196	0.6
425.29089	3.0
561.28027	2.4
597.36188	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	597.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
53.21141	0.4
55.01848	0.5
55.05515	9.2
55.77736	0.4
57.03445	6.3
57.03707	0.9
57.07063	1.4
65.03942	1.1
67.05506	25.0
69.07068	14.2
69.07445	0.6
69.32894	0.8
69.33294	2.2
70.34470	0.5
70.53045	0.6
71.04975	0.9
71.08611	0.6
79.05489	7.5
81.03426	3.1
81.07056	25.0
83.04985	0.7
83.08620	7.3
85.06529	0.9
89.94795	0.5
91.05486	4.8
93.07036	6.7
95.04970	0.9
95.08603	18.3
97.06525	1.7
97.10175	3.6
98.98464	8.0
99.08121	0.6
103.05466	0.5
105.03412	4.1
105.04477	0.5
105.07023	3.5
106.07264	0.5
107.08604	3.9
109.02879	2.6
109.06538	0.5
109.10151	7.0
111.08096	0.6
111.11652	0.8
119.07835	0.4
119.08595	2.8
121.10133	2.9
123.11714	3.0
125.09576	0.7
131.04959	0.6
133.10170	2.5
135.04410	1.3
135.11681	1.2
137.13293	0.6
147.11685	1.6
149.13290	1.1
155.01033	3.0
161.13150	0.9
163.14819	0.9
165.12726	0.6
173.02007	0.7
175.14864	0.7
186.82797	0.6
189.16510	0.6
245.22639	1.1
261.01163	0.5
261.03531	2.3
263.23682	2.1
278.56454	0.5
308.63074	0.5
335.07394	1.2
337.27359	100.0
338.27707	4.5
413.13617	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	597.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76060	0.7
67.82068	0.8
70.86142	1.0
116.58123	0.6
177.45918	0.8
278.15744	0.7
286.61322	0.8
353.26724	0.7
505.11664	1.4
509.78293	0.7
576.46448	0.8
597.33936	100.0
598.34534	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	597.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
67.05490	0.5
69.89647	0.7
70.06594	2.6
81.07053	0.4
84.08133	1.9
93.07057	0.3
95.08607	0.9
96.08141	1.0
97.08904	0.6
107.08569	0.3
109.10084	0.2
110.09669	1.2
122.09695	1.1
123.08000	0.5
124.11223	0.8
126.12785	1.0
135.08083	0.2
135.11659	0.2
136.11227	1.2
137.12006	1.4
138.12776	8.7
139.07472	0.3
140.14299	0.2
152.05574	0.2
152.14366	0.6
166.15912	0.7
176.14359	0.9
178.15958	0.5
180.17473	0.4
189.10710	0.2
197.25845	0.3
204.17435	0.3
233.28128	0.3
250.21687	0.7
260.20065	0.3
264.88861	0.2
278.21140	100.0
279.21469	3.1
320.18506	0.7
326.69339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43866	0.7
53.03944	4.3
55.01880	4.2
55.05513	0.7
57.03447	3.2
61.02918	2.0
65.56715	0.6
67.05495	2.3
68.99792	1.6
69.03429	13.4
69.07099	0.7
70.06590	2.9
71.04996	2.7
73.02919	3.5
79.05486	2.2
81.03418	15.5
81.07067	1.4
83.01337	0.9
85.02908	34.6
87.00835	13.4
87.04447	0.9
91.03939	1.8
91.05482	4.0
92.84093	0.6
93.07040	1.5
95.04959	2.2
95.08631	0.7
97.02898	16.4
97.06537	3.0
98.22715	1.8
99.04453	6.3
103.03970	0.8
103.05479	4.0
105.01866	7.5
105.07034	1.6
107.04959	10.7
107.08570	0.9
109.02885	13.8
109.06547	0.9
109.10165	1.0
111.04483	1.3
111.18963	0.6
115.03899	1.8
117.01847	2.2
119.08643	0.9
121.06498	5.4
121.10147	0.9
123.04436	6.5
124.05209	1.0
125.05965	1.0
127.03918	22.8
129.01854	2.1
131.04936	6.7
135.04427	13.9
135.08055	2.2
137.05974	14.2
138.06750	1.0
139.07550	5.2
145.04958	13.0
145.06152	1.0
145.06564	0.7
147.02847	2.1
147.04477	2.2
149.05978	9.5
151.07558	8.0
159.02914	8.9
161.05959	0.9
163.03928	0.8
163.07568	1.2
164.08334	6.5
165.07080	0.7
165.09087	1.0
167.08524	0.8
173.06027	1.0
173.13264	1.4
175.07527	1.8
177.05519	0.7
177.09177	0.8
181.06508	0.8
187.11220	1.0
189.09145	1.9
191.07069	1.2
193.08554	1.4
194.25972	0.7
195.08060	2.6
196.08746	1.2
197.06003	1.6
201.09015	0.9
205.08566	0.8
212.08330	1.4
213.09082	2.3
223.07533	1.6
224.08359	0.9
225.09042	0.9
227.10727	3.2
231.02914	0.7
231.05063	5.0
240.07806	2.4
241.08626	2.4
242.09262	1.3
250.18158	0.8
251.10699	1.4
255.10089	2.1
258.08835	2.0
261.25024	0.7
269.11493	0.8
271.09775	1.4
273.11221	100.0
274.11594	2.3
279.10199	0.7
282.06079	0.7
283.09683	6.2
285.11258	7.5
287.12576	0.9
291.10217	1.1
295.09677	3.5
297.11212	13.0
303.10004	1.0
307.09695	1.3
309.11264	2.5
311.12833	2.1
315.12317	14.5
321.11218	0.9
327.12277	0.8
335.12653	1.6
339.12299	5.9
345.11249	0.8
353.13818	1.9
363.12088	5.7
381.13348	8.9
467.13480	1.4
485.14261	2.6
503.15305	1.5
521.16669	1.3
536.32001	1.1
580.34497	2.8
598.27710	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01873	1.5
61.02927	1.2
67.05521	0.8
69.03430	3.3
70.06593	2.4
72.08150	1.1
73.64347	0.8
79.05483	3.3
81.03416	7.0
85.02897	12.2
86.09720	0.9
91.05475	2.3
93.07038	1.1
94.04221	0.8
95.04964	2.1
97.02863	4.5
103.05462	1.7
105.07005	1.5
107.04954	6.8
109.02872	1.3
109.06514	1.8
115.05453	3.4
116.06194	0.9
117.07018	7.8
119.04928	1.3
120.08110	4.1
122.03654	3.6
123.04436	1.9
125.05996	1.3
127.03916	2.3
128.06206	1.9
129.07001	4.9
131.04916	3.6
131.08578	2.6
133.06482	1.9
137.05971	61.7
138.06328	1.2
141.07002	1.1
143.04910	1.1
144.05710	2.6
145.04930	1.8
145.06479	18.6
147.04425	1.4
147.08060	1.0
149.06009	2.0
151.03882	3.5
151.07570	6.8
155.04950	1.0
155.06065	3.0
156.05673	3.9
157.06485	4.0
158.07286	1.5
159.08023	4.1
160.05223	1.1
161.06035	5.0
163.03928	1.6
163.07562	3.4
167.07030	29.2
169.06516	1.1
171.08025	1.0
172.05270	1.6
173.05972	32.3
174.06718	3.8
175.07481	4.2
177.05493	1.8
180.08708	2.5
181.04926	2.5
184.05209	1.4
185.05977	1.9
187.07541	23.3
189.09126	8.5
190.06247	18.2
191.06932	1.9
192.07819	0.9
193.08612	2.8
199.07587	2.3
201.09088	5.2
202.06264	2.0
202.07857	2.1
203.06989	3.1
203.08565	8.6
205.08586	50.9
206.08926	1.0
211.07654	1.4
217.08598	33.1
218.07179	1.5
219.08052	4.0
219.10161	3.4
220.08804	4.4
223.09561	1.1
225.04674	0.9
231.08037	11.7
232.08833	2.8
233.05927	1.6
233.09669	2.4
235.09576	18.4
235.11607	1.4
236.08083	1.4
237.09093	1.7
240.07875	1.0
245.09663	1.5
247.07509	4.2
247.09709	2.8
248.08278	14.9
249.09076	2.3
251.10736	2.4
259.07544	6.1
260.08267	3.0
261.09152	3.1
262.09897	1.1
263.06708	1.1
263.10770	15.0
264.07730	2.0
265.08459	3.1
265.10785	17.9
268.10895	1.1
271.09558	4.1
273.09167	1.3
275.06863	1.2
276.07837	8.5
277.08578	7.1
278.05716	1.1
278.08893	1.1
279.10144	6.3
280.11038	1.3
281.08121	0.9
291.10117	30.4
292.10797	4.5
293.08093	11.9
293.11240	1.4
296.10297	2.6
307.09576	2.3
308.10477	6.3
309.10742	1.0
311.12756	8.1
315.08575	1.7
323.12769	100.0
324.13141	5.0
325.14297	12.1
328.09317	1.0
330.10873	1.8
331.11633	1.3
341.13831	24.7
351.12180	1.5
353.09888	1.0
368.12527	0.9
375.66055	1.0
383.10458	1.6
383.14905	22.1
384.15222	1.2
401.16183	6.0
418.15515	2.4
440.20517	5.0
569.36902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46794	0.5
53.03936	1.6
55.01868	1.7
57.03437	3.2
61.02930	4.5
67.05509	1.2
69.03428	16.7
69.74198	1.4
69.74586	1.1
71.04987	3.6
73.02922	3.2
79.05503	2.5
80.05031	0.8
81.03423	4.2
81.07054	1.5
82.06582	0.8
83.01363	0.6
83.04961	0.6
85.02399	1.2
85.02901	16.6
87.04458	3.2
91.03952	1.0
91.05492	1.6
93.07047	1.1
95.04951	1.3
97.02325	1.0
97.02892	8.4
97.06574	0.6
98.22742	1.0
99.04448	1.8
105.07043	2.2
106.06565	1.5
107.04980	1.0
107.08587	1.2
109.02847	2.6
109.06520	1.5
110.06062	0.7
115.03920	0.8
115.05479	0.9
117.07037	1.3
118.06570	0.9
120.08105	0.9
122.09677	1.1
123.08098	0.7
123.75098	0.5
126.09126	0.8
127.03883	4.2
127.93632	0.5
128.06236	1.0
129.07019	1.0
130.06505	1.0
131.08653	0.7
132.08081	1.2
133.06541	1.0
134.06007	1.0
134.09679	2.7
134.41927	0.6
135.08102	1.1
136.07605	0.7
137.06038	0.7
139.03940	0.8
143.08575	0.7
144.08086	1.1
145.04984	0.9
145.06451	1.0
147.07964	0.6
151.07544	8.3
152.10680	1.1
153.01820	2.7
153.05528	1.9
157.06494	1.6
158.11777	0.7
160.11258	1.3
161.09650	0.9
162.09166	1.2
167.07188	0.7
172.11284	1.0
172.65417	0.7
173.06050	0.8
176.07045	0.7
176.10774	0.8
177.09148	0.7
179.10715	2.1
188.10638	0.6
193.04883	0.7
200.10745	1.2
218.11766	6.4
219.06427	1.3
223.06079	2.3
236.12808	53.4
237.13237	2.3
245.08093	1.4
259.09354	0.5
264.16034	0.7
266.43585	0.5
274.14258	0.6
277.10867	1.6
289.10776	0.8
324.14206	0.6
398.18097	0.7
400.17627	1.9
418.18582	27.7
419.18759	1.3
436.19662	41.1
437.19962	3.8
580.23669	1.2
598.24933	100.0
599.25305	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	598.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69087	0.6
55.01871	1.4
55.05515	0.8
60.21847	0.6
63.02124	0.8
67.05490	1.1
68.14874	0.6
69.03430	2.5
70.06594	1.2
71.04984	2.9
79.05499	2.0
80.05023	13.3
81.07063	1.0
82.06600	1.0
84.44957	0.8
85.02917	2.0
91.05481	1.0
93.07052	1.2
94.06564	12.5
95.04970	1.0
95.08592	1.5
96.08122	1.0
97.02887	1.0
97.06605	0.8
99.04482	1.6
100.07645	0.8
105.07055	2.5
107.08595	1.6
107.26945	0.6
108.08118	0.8
111.08057	1.5
112.07628	0.8
119.08627	1.1
120.08165	0.9
122.09669	31.7
123.08097	0.8
124.07633	1.2
125.05987	1.8
127.03941	0.8
128.07112	1.6
132.08139	1.0
138.09203	0.8
139.07564	0.9
145.10139	1.0
146.09663	1.1
150.09140	43.2
152.10709	1.3
154.12276	1.5
155.07118	0.8
167.07037	1.5
168.10207	55.2
169.10654	0.7
204.13882	0.8
219.10242	1.2
220.13455	2.3
222.14864	1.5
232.13289	0.9
233.11688	2.2
234.14897	13.0
251.12810	18.9
251.15337	1.3
252.16003	1.2
257.11569	0.7
262.18030	3.5
269.13837	1.7
278.21176	0.7
290.17523	1.7
308.18634	2.7
320.18542	2.6
344.18521	2.1
382.73209	0.8
390.22647	0.8
400.02319	1.0
400.21405	0.8
418.22269	20.8
436.23322	100.0
437.23849	3.2
592.86078	0.7
598.29388	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	598.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03946	0.7
53.50738	0.3
55.01866	0.9
57.03429	1.2
58.91282	0.3
61.02928	2.0
66.35476	0.3
69.03426	4.8
69.41730	1.3
71.05002	0.5
73.02911	0.8
77.03910	0.4
79.05499	3.0
81.03411	1.7
85.02902	26.7
87.04467	0.6
91.03956	1.0
91.05463	0.4
94.08936	0.2
95.04953	1.2
95.17316	0.3
97.02894	6.4
98.23497	0.3
99.04453	1.0
103.05454	2.4
105.07027	100.0
106.07373	1.4
109.02880	2.5
127.03018	0.5
127.03911	6.4
132.15033	0.3
135.08060	0.3
141.06554	0.3
145.04958	12.9
153.09126	0.9
158.08334	0.3
163.06012	4.3
165.09097	1.1
179.10672	1.0
180.08650	1.2
238.29411	0.3
257.15350	58.3
258.15686	1.4
265.26855	0.3
325.11163	0.5
583.89191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01869	8.8
55.05509	57.1
57.03432	23.8
57.07071	4.6
59.04985	9.6
61.02935	4.3
67.05502	100.0
67.86314	3.1
69.03443	7.6
69.07069	14.4
70.10699	5.6
71.04996	7.0
73.02908	5.8
73.98099	3.3
79.05489	28.2
81.03424	13.1
81.07055	32.8
82.72472	2.7
83.04993	12.8
83.08612	20.7
85.02901	29.6
85.06538	5.3
87.04468	12.8
91.05489	10.7
93.07074	18.1
95.04971	5.9
95.08617	19.1
97.02900	10.6
97.06541	6.7
97.10171	43.0
103.03958	11.9
105.07040	5.5
107.04935	6.7
107.08608	15.3
109.10145	93.9
111.04453	4.1
111.08096	5.9
117.07047	6.5
119.08595	14.5
121.10149	9.2
123.08058	5.6
125.06035	3.3
125.09622	52.1
129.89941	3.4
133.10117	4.8
135.11720	7.2
136.88660	3.2
137.09656	3.9
143.10678	11.7
145.10118	12.2
153.12762	14.2
155.10681	11.0
163.11140	17.2
173.09625	3.9
173.10226	3.9
173.11725	42.1
181.12256	12.2
191.10687	9.1
197.15231	3.1
199.13316	12.6
209.11737	15.0
217.14404	11.2
227.12796	19.9
229.14349	98.3
230.14845	3.5
245.13896	4.4
257.13791	22.5
283.15338	23.6
301.16467	54.6
319.17490	12.3
345.63266	4.1
424.92432	3.9
489.60614	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	598.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30160	4.3
55.05515	36.4
57.03440	10.3
57.07064	10.2
62.13466	4.0
67.05507	77.9
69.03404	9.1
69.07059	17.8
70.56710	4.0
71.04975	5.8
71.08622	5.5
79.05490	64.6
81.03422	70.7
81.07059	77.4
83.04971	18.6
83.08624	26.9
83.40437	4.1
85.02901	22.0
85.06517	7.1
91.05487	47.7
93.07054	68.8
95.04968	38.9
95.08608	47.1
97.10175	6.6
105.04527	5.9
105.07030	51.9
107.04987	6.4
107.08589	46.1
109.06499	5.4
109.10155	28.9
111.08057	10.5
113.44497	4.9
117.07047	10.0
119.08611	29.0
121.06381	4.9
121.10131	45.7
123.08098	10.0
125.09592	6.0
129.07002	9.7
131.08606	33.2
133.10136	21.2
135.11687	13.3
137.13318	5.7
142.07805	6.5
143.08505	5.0
145.10132	23.7
147.08047	7.0
147.11664	19.9
149.09612	14.0
149.13269	12.0
151.07619	5.2
157.10130	20.8
159.08037	5.9
159.11703	11.7
161.13182	8.4
163.11143	7.1
163.14911	6.4
165.09106	6.1
167.10695	22.9
169.10222	6.8
171.11600	6.2
173.13254	8.6
175.11201	8.5
181.12297	7.1
187.14844	5.9
193.12224	43.2
211.13283	53.0
221.15337	11.1
233.15407	9.6
243.21043	14.3
261.22177	19.5
285.16895	48.4
307.40515	5.0
335.25851	64.8
379.61542	5.0
409.25699	11.5
435.32587	7.5
463.30771	9.2
527.37372	25.3
545.38318	100.0
546.38257	5.0
580.32513	5.6
599.41681	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01860	7.7
55.05525	30.9
57.03439	27.2
57.07076	10.6
65.03940	7.5
67.05507	88.0
67.44414	5.3
68.70547	4.8
69.03435	14.6
69.07064	24.4
71.05007	12.8
71.08648	9.0
77.67477	5.4
79.05502	78.5
81.03416	50.7
81.07057	100.0
81.11734	5.6
83.04999	17.1
83.08607	28.3
85.02901	18.5
85.06549	5.1
91.05481	67.7
92.05828	5.4
93.07052	81.3
94.07373	4.9
95.04974	35.1
95.08611	61.0
95.89044	4.7
96.05376	4.8
97.06552	6.6
97.10144	8.4
100.83788	5.1
105.04549	9.3
105.07019	62.0
106.07405	6.6
106.84650	5.0
107.04986	5.4
107.08591	48.0
109.06529	10.9
109.10134	28.7
111.08070	11.9
117.07052	10.6
119.08601	59.5
119.09961	5.1
121.06518	6.4
121.10159	52.7
123.08080	13.0
123.11744	10.5
125.09686	8.9
125.69808	4.5
127.03922	6.7
128.06091	5.2
129.07007	18.9
131.08592	33.6
133.06508	6.2
133.10120	37.6
135.08087	11.0
135.11662	24.2
137.09644	6.2
142.07843	8.0
143.08545	15.8
145.10127	31.6
147.08075	11.9
147.11674	33.1
149.06010	11.3
149.09651	18.1
149.13277	9.3
151.07591	12.0
155.08585	8.4
156.09351	6.2
157.10138	24.7
159.08073	5.7
159.11678	8.9
161.09628	9.0
161.13249	7.8
163.11153	10.2
163.14803	6.8
165.09161	17.2
167.08496	8.7
167.10718	33.2
168.09390	5.5
169.10126	16.0
171.11688	12.0
173.13277	9.7
175.11197	12.3
175.14851	12.5
183.11736	12.5
183.23169	5.2
187.14822	12.9
193.10049	9.0
193.12273	31.6
195.11728	8.0
197.13266	7.0
199.14958	6.1
211.13249	42.2
221.13383	7.9
221.15414	21.1
232.12640	7.1
233.15349	25.0
243.21068	22.2
245.13492	4.7
260.15457	5.8
261.22189	27.8
267.15857	29.2
284.29587	6.7
285.16901	54.7
292.25232	4.9
317.24713	9.5
335.25815	59.8
339.29657	5.6
341.10193	7.5
365.25046	5.6
435.32605	6.0
453.33920	9.7
509.35858	6.3
527.37213	41.7
528.37439	8.4
528.64410	6.1
545.38159	55.7
581.39813	8.6
598.38971	26.3
599.40594	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01870	6.5
55.05513	26.7
55.22947	4.1
57.03436	24.8
57.07077	6.8
67.05507	73.6
67.23409	4.0
69.03429	4.8
69.07069	20.1
70.60582	5.2
70.60918	5.5
71.05019	4.2
79.05502	55.1
80.19388	4.4
81.03421	100.0
81.07053	82.1
83.04964	7.3
83.08630	28.5
90.05891	4.4
91.04995	6.8
91.05483	49.5
93.07050	70.4
95.04982	34.0
95.08612	50.5
97.06515	6.5
97.10139	7.8
105.07032	40.1
107.04962	6.4
107.08578	31.1
109.06499	6.1
109.10160	27.9
111.08110	7.0
117.07003	14.7
119.08601	33.9
121.06552	8.8
121.10152	30.5
123.08038	7.3
123.11723	7.1
128.06181	4.5
129.07016	16.2
131.08577	27.7
133.10150	23.4
135.08055	4.1
135.11674	13.6
137.06018	5.3
137.09694	4.8
142.07808	5.0
143.08609	5.1
145.10127	19.8
147.08057	7.6
147.11740	19.6
149.09608	7.8
149.13348	7.4
155.08588	5.4
157.10094	13.6
159.11691	14.6
165.09161	4.7
173.13298	7.3
175.11159	3.9
193.12245	22.4
197.13370	4.1
221.15353	8.3
227.12807	7.0
249.14868	5.2
261.22107	15.4
267.15952	99.4
285.16620	6.3
303.18192	3.8
335.25824	85.7
336.26129	8.8
435.32449	5.3
453.33575	11.3
471.34732	6.7
527.37396	53.2
528.37811	4.9
545.38239	33.7
598.37811	11.7
599.25311	5.1
599.41431	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	599.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
50.07741	0.4
53.03942	0.6
55.01867	1.0
57.03436	0.7
69.03413	0.5
70.06593	1.0
70.72247	0.6
72.63634	0.4
76.07520	0.3
77.03930	0.5
79.05505	1.2
81.03415	0.7
85.02905	3.1
91.05515	0.3
93.03407	0.5
95.04958	2.0
97.02882	1.3
103.03955	0.4
103.05473	0.5
105.04519	0.8
107.04954	100.0
108.05275	1.1
109.02893	1.0
111.04441	0.4
117.92226	0.3
121.02885	1.6
121.06478	1.0
122.03601	0.4
123.04424	0.8
127.88275	0.3
129.07074	0.3
131.04875	1.8
135.04395	0.7
137.05984	3.5
138.06313	1.0
139.03905	1.0
145.06483	1.1
147.04451	1.2
149.05997	1.0
151.03880	1.3
157.06485	0.7
159.04384	0.7
161.05995	1.0
163.03902	2.0
163.37831	0.3
164.09540	0.4
165.05557	0.5
166.05971	0.4
171.04405	0.8
173.05936	0.9
175.03903	2.1
177.05463	1.7
177.96999	0.3
181.05016	3.0
185.05975	0.6
187.03914	1.5
187.07553	1.1
188.07860	0.5
189.05481	1.3
191.03368	1.1
191.07040	0.5
193.04929	2.7
197.05981	0.4
199.04056	0.5
199.07678	0.5
201.05473	1.6
203.03479	0.7
203.06927	0.5
205.04953	5.0
207.06490	0.5
208.07343	0.8
211.05885	0.4
213.05530	1.4
215.03302	0.5
215.07114	0.7
217.04968	5.0
218.08983	0.4
219.02927	0.9
219.06581	1.2
221.04485	1.2
223.06032	2.0
225.05521	0.8
225.07472	0.5
226.08011	0.5
227.06984	0.9
229.04933	2.5
231.03073	0.5
231.06380	1.7
233.04521	0.7
235.05933	3.4
237.05359	0.4
239.07166	0.6
241.04994	1.8
243.06525	1.3
245.04433	0.6
245.08060	0.8
247.05948	5.6
248.08279	0.6
249.03944	0.4
249.08644	0.6
253.04926	0.5
255.06494	1.0
257.04437	0.5
259.05988	7.1
265.04919	0.6
267.06546	0.6
271.06046	2.3
273.07550	1.6
277.06961	1.9
279.06778	0.4
279.10358	0.5
280.10461	0.4
283.05972	2.0
285.07617	1.4
287.09073	1.2
289.07043	3.1
291.10156	0.6
292.10495	0.8
295.05786	0.7
297.07623	0.8
299.05988	0.5
299.08923	1.7
301.07019	3.9
307.05731	0.5
311.05966	0.4
311.09146	1.5
311.12500	0.4
312.13135	0.8
313.07004	2.4
317.10440	1.9
323.09378	0.8
323.12775	2.2
324.13052	3.4
325.06967	2.7
327.08765	0.7
329.10294	3.5
337.07108	0.7
341.10251	4.4
341.13968	0.8
342.14099	1.1
343.08026	0.8
353.10187	5.1
354.10455	0.6
355.08038	0.5
359.11081	0.5
365.10251	4.7
377.10107	1.7
383.11200	6.9
384.15289	0.5
389.10150	2.0
393.09552	0.6
395.11209	8.0
407.11234	6.1
413.12564	2.6
419.11169	5.2
420.12769	0.4
425.12308	3.4
431.13474	9.4
437.12445	0.9
441.20685	0.6
443.13498	3.2
449.12274	6.4
456.80362	0.5
461.13718	4.4
467.13339	4.3
473.12292	1.0
479.13223	3.7
485.14401	3.0
491.13443	1.9
497.14478	6.1
509.14612	2.3
527.15405	3.0
545.16553	2.2
563.17401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3193
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
55.05263	0.7
55.05512	13.0
57.03434	6.6
57.06870	0.6
57.07082	6.6
60.46971	0.7
67.05505	10.7
69.07068	20.6
69.59879	2.6
71.05000	1.1
71.08623	3.3
71.31559	0.6
72.08119	0.8
79.05495	4.9
81.03416	1.1
81.06570	0.7
81.07054	13.4
83.04983	1.0
83.08618	12.8
85.10213	0.8
89.01360	0.7
89.06020	0.6
91.05491	1.1
93.07052	6.3
95.08604	12.5
97.06524	1.6
97.10168	7.9
98.98475	7.3
99.04456	0.6
105.07052	0.7
107.08591	4.4
109.02884	0.8
109.10165	5.2
111.08047	1.1
111.11729	1.3
121.10137	6.3
123.11745	1.4
124.93758	1.8
125.09594	1.2
135.11697	3.9
137.13333	0.7
139.11136	1.1
142.94794	0.9
149.13252	2.3
155.01064	4.1
163.14787	0.8
167.10619	0.8
247.24249	1.5
257.25751	0.7
261.03821	1.5
261.40720	0.6
265.25244	1.9
292.84998	0.7
318.73727	0.6
335.07190	1.5
339.28928	100.0
340.29251	4.2
427.30576	1.2
461.20004	0.7
479.21484	2.0
563.29761	0.8
581.37842	0.8
599.14771	0.8
599.39142	1.9
599.50043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03436	0.6
59.04994	0.7
67.05503	1.3
67.86476	0.2
69.07068	0.3
69.83011	1.1
71.04993	1.2
79.05496	1.9
81.03419	1.3
81.07058	2.1
83.04998	0.5
83.08623	0.6
85.06551	0.3
91.05486	1.9
93.07039	1.4
95.04939	0.7
95.08590	0.8
97.06528	0.5
105.07036	1.1
107.08624	1.3
111.08059	0.4
119.08589	0.7
121.10169	1.4
131.08611	0.8
133.10132	0.8
147.11708	0.9
149.09624	1.3
157.10109	0.5
175.11166	0.7
193.12296	1.0
197.03368	0.3
225.14958	0.4
233.11584	0.9
265.14188	0.3
267.15973	1.3
283.15155	16.1
299.18777	0.3
339.17758	8.6
370.28699	0.3
599.34027	100.0
600.34344	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	599.3556
Annotation	Avermectin A1a aglycone
Peak:m/z	Relative Intensity
69.49132	1.2
78.81593	0.3
83.04977	1.3
95.08700	0.2
111.18614	0.2
175.01497	0.6
181.02631	0.4
227.04784	0.4
232.19098	0.3
313.11993	0.9
387.78979	0.3
395.57449	0.3
460.69220	0.2
487.13025	0.3
534.62103	0.2
537.56567	0.3
543.11237	0.3
543.18243	1.1
599.35504	100.0
600.35754	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	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
53.08706	0.8
55.01870	1.6
55.05513	4.8
56.82299	1.0
57.07076	7.7
59.05009	3.1
59.08184	1.0
65.03938	1.8
67.05504	11.6
69.03437	7.8
69.06749	0.8
69.07060	6.0
69.66008	2.0
69.66354	1.4
77.03947	1.5
79.05489	10.2
81.03443	1.4
81.07064	18.7
81.07502	1.5
83.04990	4.4
85.06549	4.0
88.59872	1.0
91.05474	17.7
93.07047	29.2
95.04973	10.8
95.08602	16.5
97.06544	3.8
100.73387	1.0
105.04561	1.0
105.07035	31.8
105.07745	1.9
106.07869	1.2
107.04962	1.1
107.08590	16.7
108.08915	1.4
109.06521	7.6
109.10139	8.1
111.04460	1.1
111.08044	2.4
111.11713	1.2
115.05478	1.8
116.06264	1.2
117.07036	6.6
119.08577	32.2
121.06541	5.7
121.10152	23.9
121.10983	1.7
122.07294	1.1
123.08067	14.6
123.11745	3.8
125.06008	3.2
125.09665	1.7
128.06233	3.3
129.06998	5.9
130.07782	2.3
131.08566	12.5
131.09456	1.2
133.06512	2.0
133.10135	16.2
135.08057	14.9
135.11668	6.0
137.06007	1.7
137.09627	15.3
139.07516	1.3
139.11212	2.3
141.07010	2.9
142.07802	9.0
143.08568	12.3
144.09344	3.4
145.10120	21.4
146.10751	1.0
147.08043	24.0
147.09137	1.4
147.11708	4.1
148.08559	1.0
149.09621	6.6
149.13219	1.3
151.07547	11.8
151.14781	1.3
153.09171	1.0
154.07776	2.2
155.08603	5.6
155.10713	1.4
156.09352	5.4
157.10141	21.7
158.07310	1.2
158.10930	1.2
159.08070	4.4
159.11703	12.2
161.09596	5.3
161.13266	4.7
163.11163	7.0
165.07059	2.3
165.09109	48.2
166.07845	1.5
166.09415	1.1
167.08644	3.4
167.10672	19.0
167.11995	1.6
168.09343	2.3
169.10146	9.0
170.10931	3.5
171.08043	1.5
171.11688	11.6
173.09602	6.5
173.13324	4.3
175.11263	4.0
175.14903	2.9
177.09186	3.0
177.12755	1.4
179.08606	3.0
179.10577	1.2
180.09299	1.1
181.10182	3.8
181.12207	6.7
182.10976	2.8
183.11699	12.4
184.12436	1.0
185.09706	1.9
185.13255	8.2
187.11234	3.1
187.14810	2.6
189.12726	5.2
191.10704	4.0
191.14291	1.4
192.09387	1.3
193.10167	1.6
194.10928	3.1
195.11769	4.9
196.12477	2.4
197.09683	1.4
197.13275	7.5
199.11206	3.9
199.14868	1.9
200.12006	1.1
201.12712	2.3
203.14317	15.1
205.10210	1.2
206.10931	1.2
207.11731	3.4
207.13889	6.4
208.12460	1.6
209.13258	6.3
211.11276	1.8
211.14926	5.8
213.12807	2.4
215.14349	3.3
215.18068	1.1
219.13879	1.3
220.12526	1.6
221.13354	4.3
221.15358	100.0
222.15730	1.4
223.11243	1.1
223.14815	3.0
225.12810	2.6
225.16475	2.5
227.14400	2.0
227.18045	1.0
229.12296	1.9
229.15977	2.4
231.11761	1.4
231.13922	1.9
233.13335	2.1
233.15404	7.2
235.14883	2.3
235.17032	1.7
237.12794	1.8
239.14330	1.5
239.18150	1.0
243.14087	1.3
247.14647	1.8
247.16951	14.4
249.16472	1.2
251.14325	1.0
251.18095	1.8
253.16010	1.1
255.13672	1.1
259.16949	1.4
261.16290	1.4
261.18646	1.4
263.18027	1.7
265.15921	1.7
279.17410	1.1
281.19080	1.8
283.20511	1.2
285.18582	1.2
286.19305	2.6
287.20169	8.7
295.20758	1.0
297.18848	1.3
299.20038	4.7
301.21762	3.1
309.18542	1.1
311.20059	2.0
313.21619	1.9
325.21710	2.2
327.23129	1.5
365.24823	4.0
391.26236	10.4
413.26877	1.8
419.29565	4.4
427.28662	5.2
441.30441	1.2
453.30017	1.5
507.34674	12.5
519.34918	3.7
549.50354	1.1
563.38690	1.4
581.39691	4.7
599.11633	36.4
599.40936	87.9
600.11859	5.7
600.41211	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	599.4098
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
50.82871	1.4
50.88006	1.4
54.30162	1.6
55.05511	10.7
57.07081	6.7
59.05011	3.1
67.05499	16.1
69.03454	7.8
69.03749	1.5
69.07074	12.7
70.69148	1.8
79.05491	13.4
81.03426	1.6
81.07060	18.0
83.04995	6.6
83.08623	5.1
85.33170	1.5
88.83315	1.3
91.05475	21.5
91.05991	2.2
93.07047	34.8
93.07606	2.6
95.04985	11.8
95.08601	22.2
97.06530	7.3
97.10190	2.1
103.05459	1.9
105.07028	33.1
107.04966	2.2
107.08603	26.0
109.06506	7.6
109.10148	12.0
111.08013	2.2
111.11720	2.5
115.05472	2.2
117.07026	7.7
119.08585	29.2
121.06517	6.2
121.10148	51.3
121.10986	3.1
123.08075	14.5
123.11739	4.2
125.09641	4.7
128.06258	2.3
129.07022	5.6
130.07831	3.2
131.08578	15.0
133.06537	2.4
133.10138	19.9
135.08060	7.5
135.11729	6.7
137.09682	4.6
139.11198	4.3
141.06999	3.1
142.07790	6.9
143.08546	14.6
144.09320	2.8
145.10133	23.0
147.08023	9.3
147.11696	6.6
149.09648	12.7
151.07518	12.7
151.11142	1.8
155.08559	6.3
156.09364	8.5
157.10118	19.1
158.10999	2.4
159.08063	7.4
159.11674	10.9
161.09669	5.6
161.13319	6.3
163.11211	5.2
165.07007	2.8
165.09105	9.3
167.08606	3.0
167.10680	73.5
168.09477	1.9
169.10191	9.7
170.10886	3.1
171.11713	15.8
173.09683	3.8
173.13232	10.2
175.11240	2.8
175.14940	4.6
177.08990	1.6
179.08490	3.6
181.10176	6.3
181.12244	5.4
182.10899	5.0
183.11659	10.5
184.12450	1.8
185.09648	2.7
185.13319	6.0
187.11198	4.1
187.14906	3.4
189.12820	6.9
191.10944	1.6
191.14349	4.0
193.10204	3.7
194.10982	4.0
195.11690	7.7
196.12587	2.4
197.13217	9.7
199.11215	2.0
199.14842	4.4
200.12061	1.7
201.16383	2.4
203.14314	4.0
206.10968	4.0
207.11740	6.2
207.13872	7.0
208.12517	3.8
209.09894	1.8
209.13315	8.2
209.15314	3.5
211.11244	2.5
211.14944	6.8
213.12805	2.4
213.16393	1.8
215.14435	4.4
217.15999	3.1
219.11732	2.8
219.17464	1.7
221.13303	5.9
221.15442	26.3
223.14832	4.8
225.16394	3.8
233.13217	2.8
233.15343	28.5
235.14902	3.9
237.12827	2.4
237.16479	2.7
239.14389	3.7
239.17964	4.4
243.17517	2.2
245.13159	3.5
247.14865	2.4
247.17064	3.0
248.15585	1.7
249.16438	2.4
251.14301	2.2
251.18028	2.2
259.14838	1.9
259.20630	2.3
261.16446	2.0
263.18164	2.1
265.15939	2.3
271.20718	2.6
273.18668	3.7
277.16129	1.6
277.19434	1.9
283.20541	2.2
285.18765	2.2
287.20157	2.0
291.17429	1.9
299.20215	5.8
301.21783	2.1
311.20270	2.6
349.25412	1.7
351.23459	2.3
359.23816	2.5
365.24979	4.2
373.25217	2.8
377.24896	3.6
391.26450	5.3
445.32101	1.8
464.30408	1.7
507.33722	1.9
546.38214	1.6
581.39893	21.9
599.41034	100.0
600.41351	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	600.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
65.03940	1.1
67.05506	0.8
68.99793	6.2
69.03416	0.6
70.06590	2.4
71.06924	0.6
71.44600	0.4
72.08162	0.5
73.32348	0.4
77.03929	0.4
79.05500	4.0
81.07056	0.4
85.02913	2.0
86.09710	0.9
89.03899	0.9
91.05479	15.8
93.03413	0.7
93.07038	0.6
95.04982	2.7
103.05473	2.0
105.03405	1.3
105.04508	0.7
105.07033	1.7
106.04208	0.5
107.04955	4.3
109.06512	1.5
110.03647	0.5
111.04410	1.9
115.05453	0.5
117.03375	2.6
118.04246	0.4
119.04948	14.2
120.02171	0.5
121.02875	2.9
121.06506	2.9
122.03753	0.4
123.04401	0.8
123.08055	0.4
124.05241	0.9
125.05984	1.6
127.03909	0.5
130.04141	1.2
131.04935	3.5
133.02835	1.9
133.06496	2.7
134.03629	1.6
135.04417	9.8
135.72476	0.4
136.05208	0.6
137.05981	7.8
139.07558	4.0
145.02846	1.0
145.04999	0.4
145.06483	0.5
147.04416	10.9
149.05992	3.1
151.07535	5.7
153.05484	1.5
161.05978	6.9
162.03113	1.2
162.06757	6.3
163.03903	16.7
163.07571	3.0
164.04622	0.7
165.05498	1.2
167.07050	3.7
175.03935	0.6
175.07648	0.4
177.05472	2.7
178.02649	0.5
179.07027	19.9
180.04193	6.4
180.07625	0.5
181.04916	1.5
182.19028	0.6
187.07579	0.5
191.03378	0.7
191.06989	0.6
192.04095	0.6
195.06534	8.3
205.04987	1.0
207.06557	1.4
208.03664	1.6
210.14809	0.4
214.57233	0.4
217.04893	1.2
223.06012	100.0
223.95744	0.4
224.06387	2.3
225.07567	1.5
231.06554	0.5
249.07384	1.8
261.07620	1.1
277.08609	0.8
301.10394	0.4
332.67514	0.4
353.10202	5.7
357.13187	0.9
371.11246	4.0
373.12851	1.0
375.14423	1.0
385.12759	3.2
496.19803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82986	0.4
55.01862	1.5
63.67252	0.3
63.98425	0.4
65.03940	0.9
65.97166	0.4
67.05508	1.0
68.99783	6.5
69.03417	0.7
70.06588	1.4
71.02634	0.4
73.57211	0.4
79.05503	4.2
81.07052	0.6
85.02888	0.9
89.03917	1.0
91.05480	16.2
91.06060	0.8
91.38618	0.4
93.03413	0.7
93.07043	0.5
94.06576	0.6
95.04955	2.7
96.08150	0.4
97.02863	0.5
98.23524	0.8
98.62991	0.4
103.05449	1.8
105.03385	1.8
105.04481	0.4
105.07022	2.0
107.04953	5.6
108.05686	0.5
109.06569	0.9
111.04432	0.9
115.05479	0.6
117.03362	3.2
118.04175	0.8
119.04942	13.9
120.02067	0.6
121.02869	2.7
121.06510	3.2
122.03612	0.5
122.09663	1.6
123.04420	0.7
124.05186	0.8
125.05969	1.9
127.03921	0.5
130.04131	1.1
131.04918	3.5
133.02832	2.2
133.06493	2.6
133.10085	0.4
134.03581	2.0
135.03468	0.8
135.04416	10.2
136.05125	0.7
137.05969	8.5
138.12723	0.6
139.07542	4.3
143.06053	0.4
145.02870	1.2
145.06441	0.8
147.04408	12.1
149.05965	2.3
150.06760	0.5
150.09105	2.4
151.07545	6.1
153.05453	1.8
155.30678	0.4
161.05977	7.1
161.07181	0.7
162.03091	1.2
162.06766	7.7
163.03899	18.2
163.07518	2.9
164.04608	0.6
165.01837	0.5
165.05482	1.2
167.07068	4.5
168.10144	0.8
175.03983	0.8
175.07344	0.5
177.05516	2.4
178.02559	0.5
179.07028	20.3
180.04179	7.3
181.04950	1.2
182.19040	1.7
191.07037	0.6
193.04918	0.4
195.06528	9.6
205.04915	0.7
207.06505	1.4
208.03658	1.9
208.07291	0.4
217.04953	0.9
221.08150	0.5
223.06007	100.0
224.06371	2.2
225.07506	1.0
231.06512	0.7
233.08098	0.5
234.14995	0.6
241.08569	0.7
241.12274	0.8
245.11685	0.8
249.07359	1.9
261.07498	1.0
275.18591	0.5
277.08591	0.8
278.21191	2.2
279.21609	3.2
280.22546	4.0
281.22928	1.4
341.10074	0.5
353.10184	6.0
355.11401	0.5
357.13336	0.4
371.11182	3.8
373.12717	1.0
375.14331	1.2
385.12668	3.2
420.23471	0.7
438.25168	3.0
600.29089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24157	2.3
55.01873	9.6
69.41348	10.4
73.87122	2.2
75.76134	2.3
91.05473	11.0
93.07053	7.6
95.04970	6.6
100.85034	2.2
103.05451	10.7
105.03399	67.8
105.04495	4.9
105.07050	5.6
108.57494	2.2
115.05487	2.7
121.06511	20.2
125.54444	2.6
131.04926	5.5
133.06503	6.4
134.03647	4.9
145.02829	4.4
148.05225	5.3
149.05978	50.6
150.06287	2.1
153.05550	2.8
161.06027	8.2
163.07634	4.2
176.04758	5.4
177.05455	21.7
181.08607	26.9
191.07039	75.9
191.08691	4.8
193.08629	4.0
198.14752	2.3
203.01430	3.3
209.08093	100.0
210.08455	2.6
240.00557	2.0
251.09149	71.7
251.25418	2.5
265.06909	2.5
313.10654	6.6
411.14401	5.9
443.17130	4.1
467.47614	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	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.01855	0.8
57.03431	1.6
61.02940	2.5
61.67645	0.5
65.27388	0.6
69.03434	3.1
69.09698	3.3
69.10116	1.0
73.02937	0.8
76.79293	0.6
77.03896	0.8
79.05497	3.1
81.03423	1.9
85.02902	18.1
91.03976	0.9
91.05479	18.0
91.06062	0.9
93.07043	1.4
95.04971	1.3
97.02887	5.2
99.61940	0.6
103.05465	3.7
105.07027	100.0
106.07380	1.1
107.04984	0.7
109.02875	1.8
117.07007	0.8
121.06509	18.2
127.03914	4.5
135.08049	3.9
137.05954	1.9
145.04955	6.2
151.07498	0.5
157.86102	0.6
163.06010	1.9
165.06993	0.9
165.09111	9.7
167.08519	0.6
180.08708	0.5
181.08624	4.0
195.11707	1.8
205.10144	0.9
208.08821	1.8
213.12729	1.0
223.11186	5.4
226.09877	1.4
229.36168	0.5
241.12227	16.3
259.13287	99.3
260.13629	2.3
283.13220	1.0
325.14328	0.8
385.16455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03942	0.6
55.01871	0.8
57.03440	1.4
58.37663	0.3
61.02924	1.3
67.05500	1.0
69.03425	3.3
71.04687	0.3
76.41613	0.3
77.03931	0.3
77.69501	0.3
79.05496	3.8
81.03416	0.8
81.07069	0.5
83.01357	1.3
83.08609	0.4
85.02402	0.7
85.02904	10.4
91.03954	0.5
91.05450	1.8
93.07034	1.4
95.04964	1.1
95.08601	3.4
97.02894	3.3
99.04472	0.6
103.03943	0.5
103.05466	2.7
105.07027	17.4
107.05014	0.6
107.08562	0.5
108.05734	0.3
109.02880	1.0
109.06534	1.4
119.06023	0.4
120.05715	2.4
121.06507	8.6
123.04527	0.3
123.08071	5.5
127.03924	2.9
133.06494	4.1
135.08051	75.0
136.08385	1.2
137.05939	1.5
139.70851	0.3
145.04967	3.6
145.06184	0.4
145.06468	0.3
147.08055	1.3
150.72499	0.3
151.07538	97.0
152.07887	2.4
163.06030	1.7
163.07246	0.3
165.09073	0.4
171.08124	0.4
171.26294	0.3
175.07549	4.8
181.10083	0.4
188.08525	0.3
189.09070	0.6
199.07368	0.5
209.09648	1.1
217.08542	1.6
227.10654	5.8
253.12221	1.1
257.11722	0.8
259.13290	100.0
260.13669	3.5
277.10745	0.7
283.13251	6.7
284.13516	0.5
290.24396	0.3
295.13217	1.4
307.13168	0.6
325.14349	8.8
326.14578	0.5
334.16620	0.5
349.14212	1.1
355.15466	0.5
367.15387	5.2
385.16455	8.4
386.16934	0.7
403.17328	0.5
409.70181	0.3
618.06519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01876	1.1
55.05511	0.7
57.03434	1.7
57.07081	0.7
61.02934	2.1
67.05499	2.5
69.03428	4.9
69.07063	1.3
70.06583	1.8
71.04985	1.0
73.02899	1.0
73.74902	0.6
79.05482	4.4
79.75619	0.6
81.03410	2.0
81.07059	2.2
83.04955	0.7
85.02405	1.4
85.02903	20.9
86.09383	0.6
91.03926	1.4
91.05473	5.2
93.07052	6.6
95.04956	2.4
95.08593	1.4
97.02886	5.7
97.06531	14.3
99.04441	1.6
103.05463	6.1
105.04523	1.1
105.07024	10.2
107.04959	6.5
107.08572	1.8
109.02890	2.7
109.06473	0.8
109.10169	1.4
115.03947	1.0
119.04935	1.8
119.08542	1.0
120.05722	1.6
121.06504	46.7
121.10069	1.0
127.03917	6.5
133.06506	1.1
133.10107	1.6
135.04408	1.1
135.08044	4.2
141.08441	0.7
143.08447	0.7
145.04956	6.2
145.06010	0.9
145.10170	0.9
147.04384	1.8
150.06750	1.9
151.03867	1.3
151.07538	3.6
152.08327	1.7
153.09123	1.4
157.10152	0.8
159.08026	0.8
161.05981	1.2
163.06000	1.6
165.09114	42.7
175.07568	1.8
177.09077	1.1
185.05925	1.0
187.07588	1.1
189.09125	2.3
191.07016	5.6
199.07571	2.2
211.11066	0.8
213.09061	1.4
215.10625	1.1
217.08661	1.2
231.10135	0.9
241.12180	0.9
243.10265	1.5
259.13290	100.0
260.13635	2.8
269.11700	1.5
271.13150	4.1
283.13293	1.4
287.12753	8.0
301.14374	3.0
303.16000	1.3
313.14368	2.4
325.14456	3.5
327.15976	1.2
331.15460	5.3
337.14246	3.3
349.14331	0.8
355.15259	1.3
367.15302	2.8
373.16507	3.0
385.16110	1.7
529.21185	0.9
538.33496	0.9
547.21765	4.7
565.22943	5.8
582.36145	1.4
600.29797	3.9
601.21729	2.4
601.31354	2.1
601.68994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03942	0.6
54.31331	0.3
55.01867	0.9
55.05510	4.1
56.05026	0.7
57.07064	0.6
58.99585	2.0
65.03941	1.0
67.05504	15.2
69.03409	0.4
69.07066	3.9
70.06579	0.8
70.15849	0.7
71.04979	0.6
73.01129	0.6
74.00665	3.1
76.02221	2.0
76.04035	0.4
77.03919	0.7
79.05494	11.7
80.05000	1.7
81.03402	0.9
81.07055	9.8
82.06562	0.4
83.04975	0.9
83.06098	1.7
83.08614	1.4
84.04506	6.8
84.08143	0.9
85.01129	0.7
85.06519	0.7
86.00642	2.6
86.99053	1.0
87.02691	0.5
88.02212	0.7
88.31244	0.3
90.90267	0.4
91.04938	0.6
91.05476	8.3
93.07043	15.5
94.06554	1.0
95.04968	3.4
95.08602	6.8
97.01110	1.6
97.06524	1.2
97.10178	1.5
98.00650	0.7
99.01408	1.6
99.02685	0.4
99.05593	1.0
100.02229	1.5
102.05552	0.4
103.05450	0.4
105.04517	0.9
105.07026	9.0
106.06582	0.5
107.04951	1.3
107.08590	8.7
108.08132	0.3
109.06539	1.0
109.10150	4.4
111.02667	1.0
111.08061	0.7
111.11727	0.5
112.02192	5.0
112.03973	0.3
113.00603	0.8
113.02973	0.5
113.04243	0.4
114.03758	5.5
116.01683	4.1
117.07035	1.9
119.08567	5.5
119.09389	0.3
120.08078	0.7
121.06500	0.9
121.10138	4.4
122.09671	0.4
123.02673	0.6
123.08070	0.4
123.11709	0.4
124.02059	0.4
125.04228	0.5
125.09657	0.7
126.03711	1.6
127.02159	0.5
127.05761	0.4
129.06526	1.7
130.05019	2.1
131.08569	2.8
132.08034	0.4
133.10124	5.2
134.09660	0.4
135.02640	0.4
135.08055	1.4
135.11687	3.6
136.03975	0.7
136.11172	0.5
137.04210	0.8
137.09644	1.4
138.03723	0.7
138.12811	0.3
139.02173	0.4
139.03250	0.7
139.05782	0.3
139.11218	1.7
140.01680	0.5
140.05299	0.9
141.04857	0.5
141.06950	0.3
142.03226	0.5
143.02763	0.6
143.08557	1.0
144.01173	1.1
145.06172	0.9
145.10127	2.7
147.08034	0.5
147.11659	2.4
148.11195	0.6
149.09645	1.2
149.13248	0.4
150.12733	0.5
151.11168	0.5
152.05220	0.9
153.06502	0.8
154.06940	0.3
155.08618	0.5
157.10207	0.7
158.02710	0.4
159.11676	1.4
161.13254	0.5
162.02213	1.5
162.12804	1.2
163.11162	0.9
165.07413	0.4
165.09070	0.3
167.08913	0.4
167.10596	0.3
168.08490	0.9
169.04282	0.8
169.10156	0.4
170.02705	0.5
170.09962	0.4
171.11740	0.5
173.09441	0.4
173.13251	0.6
175.14738	0.4
177.07310	0.5
178.12363	0.5
179.04897	1.4
181.06129	0.4
185.03798	2.1
187.05400	0.6
187.11157	0.7
189.12828	0.3
195.08412	0.8
196.11548	4.9
196.13174	0.5
197.13321	0.4
199.07152	0.5
203.12735	2.1
208.11536	0.7
215.04887	2.3
216.05617	2.4
222.09421	0.6
222.15051	0.5
224.11021	20.6
225.09467	0.7
225.11552	0.8
231.04323	4.0
233.05946	1.3
236.11166	0.4
239.11035	0.4
240.10475	0.4
241.11256	0.9
242.12088	36.2
243.12383	0.9
254.12102	0.6
255.07945	0.4
256.09058	0.4
257.19012	0.6
264.14157	0.6
269.10828	0.6
275.20096	4.4
280.13660	0.6
282.15277	2.3
291.17233	0.4
292.22778	0.9
293.21109	2.0
297.12607	0.5
298.13351	0.7
299.14209	0.7
304.22452	0.4
305.19489	0.4
307.17316	0.7
308.09183	1.3
310.12814	0.3
315.17969	0.7
322.21899	0.5
323.20370	0.8
324.19940	0.6
332.20419	1.0
333.18881	2.6
343.13406	0.4
344.13998	7.0
345.14810	1.3
350.21472	12.3
351.19922	1.0
360.19904	0.3
368.22528	8.6
384.17267	0.6
407.23593	1.1
435.23422	0.4
438.19858	0.3
453.24164	100.0
454.24445	4.4
479.25467	0.5
505.42307	0.3
525.26208	5.9
526.25977	0.4
537.26123	0.4
554.38983	0.3
582.28333	1.1
583.26624	0.9
600.29706	6.7
601.30170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
53.26213	0.5
55.01870	9.2
55.05519	1.0
57.03435	6.5
60.04515	1.2
61.02919	7.3
64.46846	0.6
67.05505	1.1
68.99792	4.0
69.03429	30.3
69.88537	1.3
69.88878	0.8
71.04987	6.0
73.02915	8.4
77.48555	0.6
79.05478	0.8
79.81406	0.6
80.05029	0.7
81.03418	33.0
81.07053	3.7
83.01343	1.4
83.08627	0.6
85.02904	100.0
87.00828	41.8
87.04482	1.1
88.28540	0.5
91.03955	3.0
91.05472	1.3
91.26563	0.6
93.07040	2.2
95.08588	3.9
97.02892	43.5
97.10146	1.9
99.04453	17.5
101.42772	0.7
105.01867	49.6
105.07033	2.1
107.08595	1.6
108.04482	4.6
109.02876	40.0
109.10162	3.4
110.03214	1.0
115.03921	1.4
117.01850	4.8
119.08596	2.2
121.10139	2.5
123.11719	2.0
126.05518	2.7
127.03912	84.5
128.04251	1.1
129.01823	6.4
131.08527	1.2
133.10146	3.0
135.11716	3.4
141.12314	0.7
145.04953	41.4
145.10126	1.4
147.02858	3.7
147.11681	5.6
149.13231	1.3
159.02887	24.6
159.11690	1.0
161.13268	7.2
173.13240	2.9
175.11073	0.8
177.03915	1.5
179.10654	0.7
179.13794	0.6
183.02950	0.8
187.14832	2.3
189.03935	2.4
189.12766	1.4
192.11064	0.6
193.12288	1.8
207.13785	1.7
213.03957	7.8
230.06618	1.4
231.04997	24.2
231.07343	1.1
243.21072	29.5
244.21376	0.8
248.07710	4.3
249.06026	6.4
253.19490	2.6
266.08719	2.4
271.20557	16.7
273.18491	0.7
289.21609	25.0
290.22083	1.1
299.20172	1.0
317.21109	6.2
334.23514	1.0
335.22159	5.6
501.24384	0.7
519.25958	2.9
565.26355	18.4
566.26495	1.6
600.29694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01871	2.1
55.05507	0.7
57.03427	0.6
61.02915	1.2
65.06966	0.3
67.05505	1.7
68.99796	0.9
69.03427	4.9
69.07036	0.7
70.12968	0.6
70.13313	0.7
71.04982	0.8
73.02905	1.6
78.55161	0.4
79.05496	1.8
81.03419	6.6
81.07053	4.0
83.08640	0.6
85.02904	12.8
87.00824	6.5
91.03946	0.4
91.05457	1.8
93.07043	4.6
95.08607	4.9
97.02896	6.2
97.06522	0.6
99.04440	2.3
100.51871	0.3
105.01859	4.1
105.07026	3.7
107.08582	2.7
109.02882	6.7
109.10139	2.7
111.04444	0.4
117.01851	0.7
117.07031	0.9
119.08586	2.5
120.08099	0.4
121.10141	5.4
123.11705	0.7
127.03919	10.0
129.01839	0.7
129.06989	0.6
131.08568	2.9
133.10124	3.3
135.11688	2.4
143.08577	2.9
145.04970	2.5
145.10110	4.0
147.11659	3.2
149.09607	0.4
149.13298	1.7
151.03874	0.3
151.16818	0.4
155.08549	1.5
157.10123	4.4
159.02925	3.1
159.11690	5.8
161.09680	0.4
161.13254	3.6
163.11169	0.7
163.14830	0.4
169.10123	3.0
171.11714	2.4
173.13286	3.2
175.14778	0.7
177.12769	1.0
183.11684	1.6
185.13251	3.8
187.14813	1.8
189.12761	0.8
191.14235	0.4
197.13271	3.7
199.14825	3.5
200.15509	0.5
201.16376	1.6
203.14297	0.9
210.14073	0.4
211.14792	2.2
212.15579	0.4
213.03938	1.6
213.16389	4.3
215.14381	0.9
219.32458	0.3
225.16360	2.4
231.04971	1.7
231.17441	0.9
241.19522	13.0
242.19702	0.4
243.17389	0.4
243.21094	9.2
243.23500	0.6
253.19499	7.0
259.20575	58.9
260.20929	2.5
271.20557	25.8
272.20886	0.8
272.42368	0.3
276.47678	0.3
287.20078	2.2
289.21609	100.0
290.21951	2.9
299.20044	2.1
317.21027	5.1
335.22134	12.3
444.19513	0.4
468.86084	0.4
483.23779	0.6
501.24832	0.7
519.25598	0.4
547.25336	0.8
565.26215	1.0
601.25403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05364	1.0
56.05027	1.4
57.03442	1.4
57.07080	5.5
58.04107	0.9
58.06586	1.4
60.08159	4.4
67.05499	2.0
69.07061	1.5
70.06577	1.3
71.07362	4.3
71.08625	2.2
81.07059	2.4
82.74102	0.9
83.08628	1.9
85.10178	1.7
86.09704	27.0
89.06020	1.2
95.08627	1.6
104.10741	100.0
105.11103	1.1
146.98186	16.1
156.48645	1.1
203.00801	12.1
206.05562	1.5
242.52357	1.1
254.06406	1.1
262.08200	9.0
313.27374	10.9
332.58801	1.0
340.29276	4.5
347.59891	1.1
388.73953	1.0
395.96844	1.0
415.21744	1.3
437.20441	31.7
459.24792	29.8
460.24884	1.3
515.22217	1.8
518.32166	66.5
519.32300	1.8
539.20660	3.2
573.83765	1.0
600.30878	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	600.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86269	9.1
55.05515	20.2
57.07069	32.0
67.05496	29.7
69.03426	17.0
69.07061	31.3
69.46333	22.4
69.46725	17.0
71.08622	14.1
79.05500	32.4
81.07053	45.3
83.04996	19.7
83.08598	23.8
85.06525	12.4
87.04469	14.7
87.29655	9.0
89.06036	100.0
91.05490	57.3
93.07043	66.2
95.04967	32.1
95.08610	26.5
97.06527	16.0
97.10175	17.8
104.10748	20.6
105.07038	87.9
107.08603	64.6
109.06519	20.8
109.10149	52.4
111.38330	8.4
117.07036	14.9
119.08595	68.7
121.06507	12.6
121.10174	67.2
123.08083	34.3
123.11722	10.4
125.09599	15.6
128.06210	22.3
129.07051	18.0
131.08583	42.0
133.08612	63.2
133.10152	38.7
135.08078	16.3
135.11659	16.7
137.09593	12.6
142.07744	17.4
143.08548	46.7
144.09531	9.2
145.10120	77.0
147.08054	15.6
147.11754	21.0
149.09624	16.6
152.75737	9.2
155.08556	23.1
156.09344	35.6
157.10147	71.5
159.08072	25.2
159.11685	50.3
161.09630	20.4
169.10101	26.2
171.11740	48.0
173.09540	15.8
173.13283	28.8
177.11211	29.1
179.08504	9.8
181.10193	31.0
182.11057	10.1
183.11743	30.8
185.13226	29.7
187.11069	10.1
189.12758	12.3
191.14290	10.1
193.10146	13.3
194.10884	21.5
195.11710	23.7
197.13252	25.6
199.14809	15.6
203.14413	14.3
207.11784	20.0
209.13252	26.0
210.14130	11.3
211.11194	12.8
211.14757	18.7
220.12370	13.4
221.13390	20.2
221.15440	29.8
222.13795	11.4
223.14760	21.6
225.16354	12.6
233.15341	21.9
235.14693	17.8
237.16356	18.0
255.17456	39.2
261.16235	12.7
265.25330	18.7
268.18158	10.2
339.29056	23.6
415.25513	15.9
600.40808	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05966	28.6
59.56929	27.2
71.45520	31.7
88.57766	33.8
91.05479	43.7
93.07053	38.8
99.14806	30.4
105.07067	54.0
119.08599	68.0
143.08672	40.2
145.10071	68.1
165.09138	55.4
221.15398	100.0
229.50644	29.6
238.47176	29.1
283.26196	40.2
309.53043	34.1
413.97238	36.2
440.29227	59.3
520.35394	58.4
583.24426	35.8
600.42249	52.8
600.55273	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.5
57.07082	13.1
59.05001	5.9
60.40400	5.0
64.85267	4.9
67.05497	20.3
69.03416	10.2
69.07058	8.3
70.86385	10.6
74.61502	6.2
79.05494	24.1
79.28615	4.7
81.07043	23.2
83.04967	18.4
85.06527	6.7
89.06055	11.6
91.05479	39.5
93.07049	49.3
95.04971	18.7
95.08614	28.8
97.06541	9.0
105.07033	68.6
107.08602	38.7
109.06535	12.2
109.10130	8.2
117.07022	15.9
119.08591	61.8
121.06519	9.9
121.10118	36.6
123.08057	23.2
125.09583	6.6
128.06226	11.5
129.06992	20.9
131.08553	30.5
133.06454	7.1
133.08591	6.1
133.10107	37.1
135.08051	21.8
135.11728	9.1
137.09607	10.2
141.06990	8.2
142.07791	25.0
143.08571	45.3
144.09410	8.8
145.10141	46.3
147.08026	30.6
149.09624	14.3
151.07559	14.5
155.08546	9.3
156.09360	18.4
157.10112	57.1
158.10849	10.1
159.08066	16.1
159.11703	27.6
161.09601	15.6
163.11198	11.0
165.09131	34.5
167.08606	6.2
167.10619	8.5
169.10114	22.7
170.10826	8.4
171.11697	31.7
173.09616	12.2
173.13269	11.9
175.11185	16.5
181.10100	9.5
181.12280	12.4
182.10820	6.8
183.11761	19.1
185.09756	5.3
185.13237	14.3
189.12764	12.9
190.13556	12.0
193.10283	9.5
193.12231	7.5
194.10965	7.9
195.11739	19.7
197.13281	10.3
199.14919	8.7
203.14336	30.4
207.11867	9.4
207.13904	17.3
208.12560	9.1
208.14661	9.1
209.13255	16.4
210.13928	6.2
211.14862	10.6
219.11758	7.1
219.13875	8.3
221.13359	10.2
221.15315	76.7
223.14854	7.4
233.13361	7.2
233.15399	15.6
234.16229	8.6
235.14740	8.9
237.14748	35.2
247.14708	7.9
247.16957	13.9
248.14072	10.2
253.16008	9.7
255.17488	24.8
271.16965	7.0
274.19348	9.0
281.18835	8.0
285.18637	6.1
286.19281	15.8
294.19666	8.0
295.20758	6.9
297.18616	7.5
299.20041	8.9
303.19623	54.8
307.20392	6.7
313.21704	12.1
317.45392	6.2
325.21689	14.1
337.21744	14.6
352.23950	100.0
353.24384	8.4
365.24713	22.1
377.24927	9.0
383.25742	6.5
487.32190	6.0
520.35321	46.1
577.49048	5.3
600.41626	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.5
53.03938	4.4
55.01860	3.6
55.05506	20.2
57.03411	2.2
57.07061	7.1
59.05007	2.7
65.03937	2.5
67.05502	31.0
69.03417	15.4
69.07074	18.6
69.32619	8.8
69.33022	3.0
71.04994	8.6
77.03908	3.6
79.05492	30.0
81.07054	39.1
81.72139	2.1
83.04979	15.4
83.08624	21.9
85.06541	9.0
86.40936	2.1
87.04451	3.6
91.04935	4.4
91.05474	57.5
92.06241	3.4
93.07037	59.9
95.04961	25.5
95.08605	34.4
97.06535	18.3
103.05473	6.0
105.04510	4.9
105.07028	100.0
106.07867	2.7
107.04974	5.3
107.08592	65.0
109.06493	17.9
109.10154	28.9
111.08083	7.0
113.06065	3.4
113.09657	4.4
115.05421	5.7
116.06242	4.3
117.07007	20.4
119.08569	79.8
120.09383	2.3
121.06506	15.6
121.10140	62.7
123.08064	33.6
123.11716	6.1
125.09640	13.0
128.06209	12.9
129.07001	24.9
130.07820	11.5
131.08557	51.5
132.09354	4.9
133.06490	7.8
133.10133	55.5
135.07367	1.9
135.08078	19.7
135.11682	11.9
137.09627	12.7
139.11157	6.2
141.06943	12.6
142.07773	31.7
143.08556	58.2
144.09323	16.6
145.06416	6.0
145.10126	72.7
146.10919	3.3
147.08061	20.0
147.11684	24.2
149.09610	16.6
151.07526	7.9
153.07001	8.0
153.09076	2.1
154.07784	6.2
155.08549	25.1
155.10652	8.8
156.09352	27.7
157.08847	4.8
157.10126	79.6
158.10956	13.9
159.08041	22.0
159.11687	49.4
160.08821	7.3
161.09642	15.5
161.13235	12.3
162.13998	2.2
163.11130	11.6
165.07010	10.5
165.09113	9.6
166.07758	5.3
167.08607	13.7
167.10623	15.7
168.09340	9.5
169.10135	36.4
170.10883	12.3
171.08118	4.3
171.11679	50.5
172.08827	4.0
172.12416	5.1
173.09631	13.8
173.13240	25.2
174.10329	2.5
175.11189	21.0
175.14825	8.2
177.09174	2.8
178.07761	3.1
179.08521	14.8
179.10713	2.2
180.09299	8.4
181.10104	30.4
181.12280	3.9
182.10912	14.1
183.08086	2.6
183.11673	41.1
184.12505	6.8
185.09590	9.7
185.13257	30.7
186.10426	3.0
186.13972	5.4
187.11168	6.8
187.14790	10.5
189.12666	12.5
190.13531	5.8
191.14330	5.8
192.09306	7.3
193.10123	22.5
193.12077	4.0
194.10942	13.8
195.11664	34.9
195.44955	2.3
196.12413	13.8
197.09654	4.9
197.13252	30.9
198.13945	5.0
199.11172	11.7
199.14839	20.5
201.12744	6.4
201.16383	3.2
202.13426	2.4
203.08580	2.9
203.14322	13.1
205.10112	6.5
205.12221	2.3
206.10864	8.9
207.11668	24.8
207.13808	7.3
208.12462	13.6
208.14151	2.3
209.13255	28.4
210.13950	4.6
211.11208	4.2
211.14807	20.6
212.15485	4.1
213.12735	11.0
213.16286	10.4
214.13235	2.4
215.14302	13.1
216.09334	2.4
217.10127	2.7
217.12108	2.3
218.10881	3.7
218.16620	4.1
219.11691	8.1
219.13713	4.3
220.12486	6.4
221.13231	19.2
221.15385	22.9
222.14012	6.4
223.11273	4.2
223.14774	20.0
224.15398	3.9
225.12715	9.1
225.16328	12.1
227.14282	9.0
229.15840	5.5
231.11641	3.9
231.17497	2.4
232.12326	3.4
233.13176	10.7
233.15367	25.1
234.13976	4.8
234.16150	8.2
235.14813	11.6
236.15564	3.0
237.12761	4.4
237.16460	16.3
239.14331	4.1
241.15849	7.7
245.13219	4.2
246.13893	6.3
246.16199	3.1
247.14784	7.7
247.16914	4.0
248.15675	4.5
249.16252	11.0
251.17944	7.3
253.15848	7.5
253.19620	3.5
255.17421	39.7
257.18979	2.9
258.13953	4.8
259.14719	3.7
260.15579	4.0
261.16336	10.8
262.16879	3.7
263.17996	8.4
265.15921	3.0
265.19553	4.1
267.17551	2.7
269.18961	10.4
270.19748	7.8
271.17068	3.1
272.15509	2.9
273.16022	4.6
273.18549	7.3
275.17859	7.3
277.19275	3.4
279.17398	4.7
281.18951	8.1
282.19391	4.5
283.20184	2.8
285.18634	5.2
286.19461	3.3
287.20224	5.3
289.19379	3.6
294.19769	3.0
295.20563	6.0
299.19934	6.5
305.18939	2.4
307.20432	3.2
315.17380	2.6
319.20850	2.4
325.21710	4.9
345.21841	2.8
347.23746	6.7
360.24313	4.5
365.24780	11.3
367.26099	3.7
383.25708	10.9
520.35217	2.9
549.37122	2.6
600.42297	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01840	3.5
53.03941	5.0
55.05501	10.0
57.07063	13.0
59.05007	7.1
62.98238	4.7
67.05501	34.1
69.03429	19.6
69.07066	18.7
70.06587	30.6
70.11694	7.9
70.12019	4.9
70.23671	4.4
77.12849	3.8
79.05486	34.5
81.07062	41.6
83.04968	12.7
83.08620	8.4
85.06557	4.6
87.18553	4.0
89.06041	14.4
91.05476	60.2
93.07047	77.4
95.04979	24.4
95.08604	39.3
97.06492	7.1
103.05495	4.5
105.04533	5.7
105.07027	100.0
107.05005	4.3
107.08598	59.0
109.06523	31.0
109.10165	22.3
111.08083	7.1
116.06349	7.0
116.07090	36.3
116.08227	8.0
117.07003	27.6
118.54419	3.8
119.08580	86.5
121.06503	15.0
121.10148	50.7
123.08062	34.8
125.05981	8.8
125.09579	7.8
128.06210	14.7
129.07019	26.8
130.07767	11.4
131.08563	45.4
132.90962	3.6
133.06512	10.5
133.08658	4.2
133.10118	57.9
134.10349	3.8
135.08051	27.5
135.11707	14.0
137.09573	18.6
139.07481	4.8
141.07008	7.9
142.07782	34.8
143.08560	57.3
144.09344	15.7
145.06473	8.9
145.10129	66.4
146.10840	5.3
147.08063	45.8
147.11685	15.4
149.09616	30.9
151.07539	23.4
155.08588	26.7
156.09363	27.8
156.94853	4.0
157.10124	98.2
158.07368	4.6
158.10869	12.7
159.08063	16.5
159.11676	40.4
161.09631	25.5
161.13263	10.9
162.10353	4.9
163.11165	22.0
165.07014	8.1
165.09100	47.8
166.07875	3.8
167.08577	10.0
167.10686	14.7
168.09332	7.0
169.10120	31.8
170.10904	10.2
171.08057	5.0
171.11690	39.0
172.12398	8.1
173.09688	19.4
173.13228	20.3
175.11194	35.7
175.14798	6.9
179.08580	14.0
179.10681	7.0
180.09377	5.1
181.10124	13.5
181.12259	9.1
182.10942	11.2
183.11694	28.9
184.12341	7.6
185.09608	5.0
185.13274	29.2
187.11212	8.3
187.14825	8.4
189.12714	14.8
190.13481	8.0
191.10707	8.2
191.14243	9.4
193.10130	16.6
193.12195	10.4
194.10895	11.6
195.11714	31.4
196.12387	7.9
197.09613	5.3
197.13271	27.3
198.13934	4.2
199.11150	11.4
199.14871	9.4
201.12857	8.8
203.14345	25.2
205.10234	7.2
205.12181	4.1
206.10931	9.7
207.11667	16.7
207.13846	17.5
208.12488	8.1
208.14586	7.9
209.13272	22.0
209.15154	5.0
210.13976	5.8
211.11217	7.6
211.14813	17.4
213.12741	13.8
213.16402	9.7
215.14265	5.7
217.10139	6.5
218.16817	3.9
219.11703	10.1
219.13719	8.8
220.12474	7.3
221.13254	13.7
221.15302	77.2
222.13861	5.6
223.14873	16.7
225.12801	7.8
225.16324	11.3
231.11681	6.8
233.13322	8.9
233.15277	22.5
234.16043	12.4
235.14799	15.3
236.15543	4.6
237.12660	10.7
237.14874	32.3
239.14268	5.9
241.15829	6.3
246.14003	5.0
247.14810	8.9
247.17090	5.8
248.14079	12.1
249.16328	8.5
251.14224	4.8
253.15845	6.5
255.17494	20.5
261.16232	6.8
263.17996	8.5
265.15863	4.1
267.17676	5.5
270.19748	6.9
270.67538	4.0
271.17044	8.1
271.20578	4.1
273.18646	5.0
274.19287	12.3
277.15723	5.8
277.19354	4.1
281.18903	8.1
285.18533	8.6
286.19275	14.0
287.19989	10.6
294.19626	7.6
295.20428	5.1
297.18549	5.4
299.20078	10.7
303.19507	50.8
307.20389	5.2
312.20724	8.9
313.21509	13.6
319.20627	5.1
321.22400	3.9
325.21609	15.3
337.21609	7.1
352.23947	80.9
365.24823	21.5
377.24826	9.2
502.34457	9.7
507.34573	9.6
508.35416	4.3
520.35535	50.5
521.35052	4.8
600.41278	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	600.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02782	4.6
55.05507	19.7
57.07081	39.5
59.04993	6.7
67.05512	35.8
69.03437	8.9
69.07067	26.9
69.67493	10.6
69.67867	15.5
71.08646	24.7
73.06541	7.7
79.05498	37.9
81.07066	47.9
83.04992	18.7
83.06812	5.5
83.08608	19.2
85.06542	10.1
85.10197	14.0
87.04480	10.4
89.06032	98.7
91.05480	58.8
93.07046	70.9
95.04971	31.2
95.08602	44.3
97.06515	13.7
97.10157	7.4
98.23383	10.1
101.45046	5.1
105.07037	100.0
107.08590	74.2
109.06516	16.9
109.10177	29.0
109.92873	4.2
111.08070	6.6
115.05465	9.9
117.07021	24.0
119.08575	80.6
121.06499	10.0
121.10140	55.7
123.08069	28.1
125.09627	13.2
128.06232	17.5
129.06982	27.3
130.07799	9.7
131.08566	51.3
133.06482	8.7
133.08606	51.5
133.10127	52.7
135.08054	23.2
135.11688	16.1
136.99153	4.8
137.09671	12.7
141.06934	11.7
142.07780	27.1
143.08565	54.7
144.09380	12.2
145.06506	9.0
145.10136	70.6
147.08057	20.3
147.11742	23.7
149.09625	17.2
151.07590	7.0
155.08594	24.3
155.10641	10.4
156.09367	18.6
157.10143	63.5
158.10869	10.0
159.08028	24.3
159.11693	50.0
160.08849	6.8
161.09596	17.9
161.13249	8.2
163.11179	5.6
165.07019	11.2
165.09129	8.7
166.07787	7.6
167.08568	16.9
167.10675	17.4
168.09322	7.0
169.10115	33.4
170.10876	14.0
171.08104	8.4
171.11716	46.7
173.09628	10.5
173.13281	23.5
175.11188	16.5
175.14670	6.3
177.11214	20.8
178.07794	5.8
179.08583	13.8
180.09357	6.1
181.10120	15.8
181.12326	6.1
182.10901	13.3
183.11736	41.0
184.12451	5.5
185.09528	4.9
185.13272	25.7
187.11221	8.0
187.14882	7.7
189.12737	10.7
192.09409	5.7
193.10181	16.3
194.10910	10.4
195.11682	33.2
196.12364	11.5
197.09624	7.0
197.13255	36.2
199.14839	24.1
201.12700	6.1
203.14294	12.0
206.10860	10.7
207.11639	25.6
208.12370	10.7
209.13345	26.9
209.14995	4.9
210.06853	5.4
211.11205	6.3
211.14890	24.2
213.12726	11.3
215.14316	9.1
217.15906	7.3
219.11720	11.1
220.12384	5.3
221.13315	20.2
221.15373	14.3
222.13887	8.8
223.14874	23.2
224.15736	6.5
225.16417	14.2
227.14342	7.7
229.15810	6.7
233.13289	10.0
233.15312	29.1
234.16086	9.0
235.14842	14.5
237.16454	9.3
239.14693	7.3
241.15955	6.8
247.14777	9.0
247.17113	5.7
247.24284	6.1
249.16350	10.1
251.17834	6.7
255.17461	38.7
261.16238	6.9
263.17953	10.7
265.19296	6.4
267.17654	5.0
269.18707	6.6
270.19702	8.6
273.18533	7.7
281.18964	9.6
285.18582	9.0
299.20123	9.0
347.23764	5.9
361.25229	5.5
365.24548	6.2
383.25598	8.9
415.25226	13.9
583.43549	10.5
600.41547	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	601.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26340	0.4
55.05499	0.5
67.05505	0.8
69.37114	0.4
70.06581	0.6
73.81380	0.5
76.26609	0.5
81.07561	0.5
83.01099	1.1
84.01896	1.1
95.01107	1.1
96.01872	1.0
119.08594	0.6
125.73763	0.6
127.36311	0.5
156.03940	2.3
157.04710	0.8
164.94402	0.5
184.03490	2.7
185.04224	2.2
186.22226	1.8
190.12350	0.5
201.03700	3.4
203.05266	2.1
258.07211	0.6
259.07965	1.7
269.13556	2.0
318.09073	0.5
331.10101	3.1
373.14572	0.6
387.16226	1.2
416.20731	8.0
431.18915	100.0
432.19424	4.4
457.20306	1.2
459.22357	3.1
487.21600	3.8
502.74008	0.5
601.28375	9.4
602.29083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18521	0.5
68.05038	0.6
69.26022	2.2
70.06592	100.0
71.06918	0.7
81.07026	0.4
90.80173	0.4
96.29267	0.4
98.06056	50.1
116.07087	13.1
116.16174	0.5
126.05515	36.0
127.05842	0.4
137.06000	1.3
151.07547	1.5
151.12334	1.9
162.45546	0.4
165.10323	0.6
167.11798	8.1
170.12952	0.4
179.11824	0.8
195.11285	17.3
213.12340	53.2
214.12781	0.8
225.63341	0.4
234.99420	0.4
261.11203	2.4
264.16968	0.6
292.16589	1.3
310.17596	20.5
320.55420	0.4
389.22089	0.5
407.22882	58.2
408.23029	2.0
415.53827	0.3
492.67188	0.4
504.28201	9.0
601.33423	26.3
602.33563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
56.66785	0.6
56.97579	0.5
57.07077	1.3
64.56261	0.6
66.34886	0.6
67.05509	3.4
69.07058	1.0
79.05499	2.1
81.07067	3.9
83.04973	1.0
83.08617	2.0
83.79442	0.6
89.06039	4.1
91.05482	1.6
93.07045	3.0
95.04955	1.4
95.08596	2.6
105.07024	1.5
107.08586	2.5
109.10158	1.3
119.08600	2.6
121.10168	1.8
123.08067	0.9
131.08578	1.7
133.08604	2.9
133.10124	1.1
135.11688	1.7
137.09619	0.6
143.08537	0.8
145.10168	1.7
147.08060	0.8
149.09680	0.6
157.10075	1.3
158.27748	0.7
159.11731	0.9
163.11183	1.1
165.09227	0.6
177.11238	0.8
183.11755	0.7
203.14287	0.9
212.14371	0.7
221.15369	2.2
227.04779	0.5
237.36488	0.6
251.99741	0.7
270.98535	1.9
305.13556	1.6
319.22516	2.3
341.26273	0.7
375.25055	2.9
415.25552	0.7
416.26120	0.7
577.24292	0.6
583.41467	1.0
599.32953	0.6
601.26251	14.3
601.36890	100.0
602.27673	1.2
602.37299	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	601.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27064	0.4
55.05505	1.0
57.07075	1.2
61.35272	0.4
65.29684	0.4
67.05502	3.1
69.07059	1.4
69.11592	2.5
70.91809	0.4
71.08626	1.3
79.05499	2.3
81.03419	1.4
81.07042	3.0
83.04974	0.5
83.08622	1.5
85.02909	1.2
85.10168	0.7
89.06030	2.3
91.05483	2.7
93.07040	2.0
95.04979	1.8
95.08609	1.9
99.08108	0.6
105.07059	2.8
107.04990	0.5
107.08595	1.8
109.06518	0.7
109.10168	1.0
117.07000	0.5
119.08584	1.9
121.10168	2.2
123.08080	1.0
123.11679	0.5
126.49091	0.5
129.06985	1.0
131.08582	1.0
133.08600	1.0
133.10120	1.4
135.08061	0.5
142.07779	0.5
143.08530	0.4
145.10118	1.2
147.07980	0.6
147.11708	0.8
149.09648	0.6
157.10164	0.6
159.07973	0.4
167.10695	1.5
168.11046	0.5
177.11208	0.6
187.11066	0.5
221.15363	0.8
233.15392	0.5
307.15247	0.7
317.20856	10.7
318.21042	0.5
319.57169	0.6
370.71103	0.5
373.23621	3.1
601.26642	5.3
601.36987	100.0
602.37140	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	601.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
56.70317	0.9
58.67136	0.9
64.02351	1.1
67.05514	5.0
69.07062	1.4
79.05493	3.0
81.07057	4.1
85.34377	1.0
86.09718	3.7
91.05488	4.2
93.07023	5.4
95.04978	1.9
95.08617	4.0
104.10753	7.5
105.07039	4.2
105.11076	1.5
107.08576	2.5
109.10187	2.5
119.08592	4.7
121.10149	3.7
127.80219	1.1
128.64360	1.1
133.10141	2.6
143.08614	2.4
145.10072	1.7
146.98170	2.0
147.07964	1.1
147.11642	1.4
155.08612	1.2
157.10179	1.4
167.10831	1.0
168.10991	1.1
183.15793	1.1
194.76120	1.1
203.00807	2.1
210.82846	1.1
221.15433	1.4
225.67926	1.1
251.12634	2.7
262.08276	1.7
308.99988	1.1
311.19089	1.2
313.12207	1.2
317.20865	3.1
373.23343	2.5
402.13733	1.1
438.21045	1.2
460.25366	1.7
519.32709	5.9
583.41418	1.4
601.37085	100.0
602.37183	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.5
57.07064	9.5
59.04984	6.3
59.69082	2.1
64.64713	2.0
67.05508	15.4
69.03420	9.8
69.07067	8.9
79.05484	16.3
81.03416	4.4
81.07058	25.0
83.04967	5.1
83.08613	7.2
85.06554	5.5
91.05483	21.9
93.06523	4.1
93.07047	40.5
95.04975	11.5
95.08610	24.0
97.06524	4.7
103.05506	2.7
105.04503	3.1
105.07018	44.8
106.07362	2.5
107.08598	27.4
109.06526	11.9
109.10194	10.7
111.08069	2.3
115.05408	2.2
117.07001	7.4
119.08586	42.8
121.06479	5.9
121.10143	32.3
122.10426	2.5
123.08064	16.5
123.11697	3.1
125.06001	5.0
128.06219	4.2
129.07014	8.9
130.07719	2.2
131.08554	20.1
132.09077	2.0
133.06526	3.8
133.10132	26.9
135.08023	11.2
135.11671	7.9
137.09634	17.2
139.07568	3.6
141.06969	2.7
142.07748	6.1
143.08556	13.2
144.09248	2.6
145.10133	33.3
146.10474	2.7
147.08057	34.9
147.11693	8.1
149.09621	6.6
149.13094	2.1
151.07545	19.0
155.08554	5.6
156.09370	3.7
157.10126	20.7
158.10515	2.6
159.08119	3.0
159.11705	24.0
161.09612	5.0
161.13260	9.8
163.11206	11.2
165.09117	66.5
166.09384	3.6
167.08618	4.6
168.09274	2.9
169.10071	10.5
170.10757	3.1
171.11685	15.8
173.09705	3.5
173.13263	8.1
175.11198	6.9
175.14821	6.4
177.09137	3.9
177.12628	3.0
180.09264	2.7
181.10152	5.0
181.12210	6.3
182.10947	3.7
183.11699	9.5
185.09718	2.2
185.13371	10.5
187.11171	3.8
187.14830	5.4
189.09085	3.7
189.12712	6.2
190.13446	3.7
191.14227	3.0
193.12318	2.8
194.10786	3.0
195.11716	9.8
196.12227	2.9
197.13210	6.8
199.11095	3.2
203.14334	23.3
207.11826	3.3
207.13814	7.5
208.12302	2.6
209.13284	6.7
211.14763	5.9
213.12802	3.8
221.13454	3.9
221.15367	100.0
222.15669	7.3
223.14908	3.5
227.14261	3.3
235.14728	2.9
237.16451	2.9
247.16966	6.4
248.17308	2.8
249.16183	2.3
267.15887	5.4
287.20071	7.7
299.19989	4.2
300.20688	4.3
301.21655	2.9
339.28949	3.7
352.24042	3.0
353.24475	2.8
362.68759	2.3
367.26257	6.4
393.27814	2.7
441.29483	5.1
465.17719	2.5
491.35056	8.1
509.35815	4.5
521.35602	7.1
531.40106	2.2
583.40906	9.4
601.41675	30.4
601.49713	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.05516	24.6
56.91063	2.4
57.07075	11.5
58.92949	2.5
59.05012	3.7
65.03940	8.0
67.05500	39.7
69.03430	18.5
69.07066	25.3
69.89502	7.3
71.04984	4.2
73.30492	2.2
77.03922	6.4
79.05490	38.5
81.07055	46.8
82.86726	2.7
83.04981	21.9
83.08629	15.8
85.06549	6.5
85.10155	3.1
87.04462	4.9
89.06048	10.1
91.05476	64.2
93.07049	78.1
94.07369	2.9
95.04972	33.1
95.08609	38.9
97.06525	11.8
103.05470	7.3
105.04536	7.5
105.07029	99.7
106.07365	5.8
106.99429	2.7
107.05003	4.6
107.08587	78.0
108.08923	4.5
109.06502	20.0
109.10155	36.9
109.27287	3.0
111.08105	5.0
111.11734	3.1
113.09648	5.8
115.05446	8.2
117.07026	21.2
119.04950	3.1
119.08580	100.0
120.08925	5.1
121.06523	10.0
121.10149	80.8
122.10432	3.9
123.08067	19.4
123.11681	9.5
125.05997	4.9
125.09621	13.7
127.05432	2.8
128.06238	14.5
129.07043	23.5
130.07744	9.8
131.08571	40.9
132.08913	3.0
133.06508	5.9
133.07643	3.6
133.08585	7.4
133.10135	65.8
134.10495	3.3
135.08055	19.0
135.11661	24.5
136.08469	3.4
137.09625	10.5
139.11209	7.8
141.07016	11.8
142.07817	27.3
143.08560	39.6
144.09286	12.1
145.06541	5.8
145.10132	76.8
146.10506	9.4
147.08057	12.3
147.11681	25.2
149.09615	21.4
150.10100	2.5
151.07567	6.6
153.07002	5.1
154.07747	5.8
155.08580	19.3
155.10664	6.1
156.09404	18.0
157.10123	56.2
158.10736	6.0
159.08040	14.6
159.11693	40.9
160.12042	4.6
161.09650	15.1
161.13252	11.0
163.11194	9.6
165.07040	7.8
165.09126	11.1
167.08528	9.7
167.10681	64.4
168.09340	8.0
168.11008	4.0
169.10114	30.2
170.10794	10.0
171.11708	34.5
172.12094	6.7
173.09656	8.1
173.13216	22.3
174.13721	4.1
175.11230	8.8
175.14854	12.3
179.08571	12.9
180.09299	5.4
181.10132	18.5
181.12231	8.9
182.10855	9.9
182.12611	3.3
183.11700	25.0
184.12115	6.8
185.13213	14.1
186.13736	3.6
187.11168	6.4
187.14838	14.7
189.12756	6.7
191.14249	6.6
192.09312	2.7
193.10133	12.0
193.12115	2.9
194.10898	10.0
195.11682	24.0
196.12297	6.1
197.13254	26.0
198.13905	3.3
199.11160	6.3
199.14771	18.1
200.15154	2.7
201.12720	5.7
201.16399	6.0
203.14388	9.1
205.10107	3.9
206.10869	7.6
207.11685	12.3
207.13698	4.0
208.12331	9.9
209.13252	24.1
209.15099	4.4
210.13782	6.3
211.14844	15.5
213.12798	6.3
213.16458	6.5
215.14352	6.7
217.12296	2.7
217.15926	6.4
219.11665	5.9
220.12411	2.8
221.13252	18.2
221.15398	26.5
222.13860	6.3
223.14888	14.7
224.15311	4.5
225.12769	5.2
225.16385	9.0
226.13022	2.9
227.14243	7.9
231.11743	5.0
231.17488	3.6
233.13216	6.3
233.15384	29.5
234.15970	5.1
235.12794	3.0
235.14888	10.0
236.15427	3.3
237.16347	8.0
238.16617	3.5
239.14388	3.0
239.17830	3.4
245.13268	5.3
246.13889	3.5
247.14864	4.2
248.15446	3.1
249.16415	7.7
251.17998	7.3
255.17462	10.2
256.17816	5.0
257.18988	3.2
259.14633	4.1
261.16296	6.6
263.17902	6.0
265.19550	7.3
269.19113	12.2
270.19412	4.2
273.18542	3.8
277.19424	5.4
281.12823	3.4
281.19016	5.6
283.20505	6.2
289.19479	4.9
293.19220	3.8
295.20566	3.6
299.20181	6.5
313.21710	3.6
331.24200	3.2
347.23816	2.9
349.25208	3.2
361.25040	4.9
413.74722	3.1
454.44196	3.2
496.69263	3.2
527.35901	4.0
537.42206	2.8
565.40375	6.5
583.41071	10.4
601.36902	16.8
601.43353	4.0
601.50238	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	602.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.0
53.01503	0.5
53.03953	1.7
55.01884	0.7
64.99256	0.5
68.63416	0.5
69.68980	1.2
69.69346	1.5
77.03926	3.6
79.05494	1.7
91.05479	3.7
95.04976	11.0
95.05537	1.0
103.05471	40.8
104.10772	1.2
105.03397	100.0
105.04533	4.7
105.07025	13.3
106.03726	1.4
115.05465	3.9
117.34397	0.5
118.04198	1.0
119.04949	4.3
121.06509	3.3
122.06862	1.1
123.08088	1.1
128.06197	1.0
130.04124	1.1
131.04930	79.0
132.05330	1.6
133.06491	10.4
135.08049	1.1
137.05986	6.0
139.07526	0.7
143.06053	1.5
146.03642	3.2
146.07306	2.6
147.04405	6.7
149.06017	1.8
150.06740	1.4
151.07558	9.1
152.07855	2.2
161.05988	52.7
162.06465	1.2
163.07541	31.7
165.09103	5.9
166.09497	1.2
169.10020	0.6
177.05507	1.9
179.07043	6.9
179.08475	0.9
179.10521	0.5
180.07245	0.5
194.83444	0.5
199.07541	8.6
202.07874	1.2
203.08673	2.4
203.10329	0.7
228.07941	0.7
231.08029	4.2
232.08810	0.9
243.10115	1.5
244.10582	0.8
248.08308	1.4
253.08609	1.9
254.08948	1.2
259.07556	3.2
260.08252	2.5
263.10718	2.2
267.10205	0.8
268.10593	0.5
270.12051	0.8
271.09302	0.6
276.07843	0.8
277.08707	0.7
281.11719	0.8
283.09555	1.5
283.12943	0.6
285.11060	1.9
286.11493	2.0
291.10168	16.2
292.10724	0.9
299.12823	0.6
302.15067	0.8
302.82205	0.6
316.16666	4.7
317.16971	3.3
321.11194	3.5
323.12839	10.3
413.13843	14.7
414.13461	0.6
445.16556	3.3
570.25574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.88190	0.4
55.01860	0.8
55.05513	0.4
55.21347	0.4
57.03432	1.2
61.02932	2.2
61.75275	0.4
69.03434	5.2
71.04984	0.8
73.02918	0.9
73.03324	0.4
77.03933	1.1
79.05489	1.4
81.03411	3.0
83.04993	0.4
85.02908	21.3
91.03960	0.8
91.05486	3.9
93.07047	6.9
95.04990	2.8
95.53732	0.4
97.02888	5.5
98.04185	0.4
99.04458	1.7
103.05476	5.0
105.04507	1.1
107.04956	24.9
109.02890	2.2
111.04456	0.6
119.04947	1.0
121.06506	100.0
122.06830	1.4
123.04421	4.8
127.03905	3.4
135.04414	8.7
137.05975	0.6
139.07565	0.9
145.04967	5.5
145.06441	1.3
149.06017	0.7
152.04697	7.5
153.05476	0.6
159.75406	0.4
161.05962	0.7
163.06004	2.1
163.07376	0.8
167.07037	55.2
168.07391	0.7
180.08684	1.1
183.08043	0.8
189.05443	0.5
211.07526	1.8
229.08612	5.0
243.10088	0.7
255.10141	0.8
259.38107	0.5
261.11224	95.2
262.11517	2.5
285.11118	2.6
297.10989	0.4
303.12332	0.7
327.12250	5.7
351.12201	0.9
365.72952	0.4
367.71136	0.4
369.13425	2.3
387.14346	2.8
440.22556	0.4
602.30176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	4.2
74.47115	3.4
79.05493	4.0
85.02911	3.3
90.99313	3.4
91.05495	10.2
93.07080	3.9
95.08642	2.9
95.72549	3.4
102.72080	2.9
103.05469	20.8
105.03400	12.4
105.06999	5.8
107.04963	4.6
111.04432	3.4
118.04182	3.2
119.04948	10.1
122.06016	4.0
131.04932	36.8
135.08067	4.8
137.05971	66.4
145.06520	5.4
147.04437	6.5
148.05219	6.2
148.43712	3.5
151.03905	78.0
151.04938	5.0
151.07558	4.9
163.07581	17.4
167.07076	11.4
175.07559	5.4
179.07024	6.1
181.04955	15.4
189.09190	3.4
191.07030	100.0
203.07135	3.8
214.71608	3.3
235.09686	6.9
263.09244	27.9
299.77618	3.5
355.11768	8.3
369.13510	4.5
387.14386	40.4
602.30273	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	602.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77513	4.2
56.40144	4.4
63.16261	3.8
69.16496	18.9
69.16898	8.9
70.06563	6.5
78.03957	3.8
78.43884	4.5
84.08143	7.8
85.02938	4.9
85.54914	4.1
91.05492	4.8
95.08631	4.2
99.96889	4.1
103.05486	12.9
114.68664	3.9
119.04942	14.8
131.04922	33.5
131.05766	3.9
136.11246	10.7
137.05997	61.0
145.23674	4.5
147.04408	12.9
148.05177	10.0
151.03917	71.3
151.05031	7.6
161.05969	7.8
163.07599	19.3
164.14275	5.1
167.07109	11.7
168.10255	5.2
175.07576	8.5
179.07092	5.9
181.04967	20.1
191.07034	100.0
191.08705	7.6
200.60143	4.2
206.93668	4.6
220.13423	11.9
233.08083	6.3
252.69128	4.6
263.09149	16.9
277.08688	5.1
355.11728	8.1
378.26498	31.5
387.14407	40.6
441.25940	4.9
442.26529	4.9
602.34088	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73744	1.9
63.57639	1.9
65.03928	2.2
67.05502	5.4
69.07057	2.7
69.29416	5.3
69.29825	6.0
79.05501	4.8
91.05479	24.3
93.07050	5.6
95.04954	6.7
95.08578	3.3
98.23441	3.8
103.05504	2.2
105.03339	3.5
105.04539	2.6
105.07036	4.5
105.54604	1.9
108.05721	3.0
121.06516	55.0
123.08064	13.7
135.04431	2.7
135.08064	12.5
137.05956	5.4
138.06828	2.5
139.07509	10.6
140.07071	2.5
148.29770	2.3
149.05943	3.4
149.07080	2.1
150.06775	25.0
151.07545	85.5
161.06061	3.4
165.09122	41.2
167.08635	2.1
168.06621	3.8
175.07568	2.7
192.06558	19.0
195.08089	3.2
200.46072	2.0
201.03242	2.1
209.09702	6.4
214.08705	2.6
216.10201	35.0
223.07504	2.3
225.09135	2.8
227.10669	4.6
237.09067	13.9
238.09920	15.3
239.10587	4.9
252.11458	23.6
253.08669	15.5
253.12065	4.5
254.13042	4.8
255.10207	9.4
257.11740	4.8
267.10229	6.8
269.08304	3.9
269.11743	12.6
270.12534	4.6
272.12830	23.1
283.13153	3.0
284.10428	7.3
285.11295	12.2
299.12738	21.1
300.13419	26.8
315.12411	4.9
318.13342	19.2
324.00943	2.1
328.11456	2.0
334.36630	2.1
373.83414	2.2
401.13980	3.1
415.15527	4.2
462.03268	2.5
524.90826	2.1
541.26282	2.4
553.22186	19.4
567.23663	8.5
585.24768	14.9
602.27258	8.5
602.36792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32493	0.6
55.05503	0.8
67.05494	1.9
69.09150	1.0
69.09541	4.0
70.06596	2.8
70.83096	0.5
73.93050	0.6
84.08142	100.0
85.02909	1.8
85.08434	0.6
91.05492	1.1
95.04961	0.9
95.08603	6.8
96.08130	1.3
104.67290	0.7
105.03393	1.6
105.07059	1.3
120.08109	0.9
121.06503	0.7
123.04417	4.0
123.08069	2.5
123.10433	0.7
133.06531	0.6
137.05959	1.3
147.04399	0.7
151.07550	3.8
173.76587	0.6
174.12762	0.9
175.11227	0.7
203.75475	0.6
207.06566	0.9
220.13318	96.7
221.13632	2.1
280.15482	4.2
424.19559	5.4
515.14813	0.6
602.29669	60.6
603.29968	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	602.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.05513	4.0
56.05014	0.7
57.07073	1.4
58.99576	1.2
67.05506	7.6
69.03413	0.7
69.07069	3.4
69.25918	0.8
69.26337	1.8
70.06582	0.9
71.04968	0.5
71.08641	0.5
73.01161	0.5
74.00667	2.3
76.02219	1.4
79.05497	4.9
80.05020	1.5
81.05773	0.4
81.07063	14.0
82.06580	0.6
83.04990	1.0
83.06092	1.4
83.08621	2.0
84.04503	4.2
84.08156	0.4
85.06539	0.5
85.10173	1.7
86.00643	1.4
86.99040	0.7
87.02715	0.4
88.02225	0.8
91.05483	4.2
93.07045	6.6
93.07594	0.7
94.06589	0.9
95.04969	1.9
95.08607	9.4
97.01107	0.7
97.06534	1.6
97.10159	0.8
98.09712	0.6
99.01415	1.1
99.05585	0.7
100.02196	2.2
100.11246	0.7
105.07024	3.2
107.04945	0.6
107.06107	0.5
107.08595	4.3
108.08119	0.7
109.06532	0.9
109.10159	3.4
111.02668	0.8
111.08081	4.9
112.02209	1.8
112.03876	0.5
113.09630	1.8
114.03761	5.5
116.01698	3.0
117.07040	0.6
119.08612	2.3
121.10143	2.2
122.09682	1.3
123.08093	1.0
123.11718	1.2
124.11215	1.3
125.04194	0.4
126.03757	1.1
127.05827	0.4
127.07509	0.5
129.06645	1.8
130.04990	1.0
131.08591	1.3
133.10147	1.8
135.08028	0.5
135.11726	1.3
136.03983	0.6
136.11220	1.8
137.11882	0.5
139.03201	0.5
140.05328	0.5
143.02724	0.9
143.08704	0.6
144.01213	0.7
144.08400	0.5
145.06071	0.8
145.10155	1.2
147.11696	2.2
149.09663	1.1
149.13295	1.4
151.11118	0.8
153.06483	0.8
153.12732	0.7
158.10075	0.5
159.11676	0.5
159.46388	0.5
161.13274	0.9
162.02190	1.5
162.32339	0.5
163.11150	0.9
163.14772	0.5
164.14377	1.4
165.12717	3.0
167.08823	0.5
168.08443	0.9
168.10161	0.4
169.04388	0.5
169.09232	1.7
170.09993	58.2
171.08412	0.6
171.10374	1.0
171.11693	0.7
173.13315	1.4
178.15910	0.6
179.04831	0.6
179.14349	0.5
181.06102	1.0
182.10049	1.0
183.08408	0.6
185.03877	2.4
187.05415	0.6
189.03377	1.1
190.23589	0.5
191.14297	1.3
209.15353	2.1
211.10883	0.7
215.04857	1.1
216.05664	3.6
226.11383	1.0
231.04317	3.7
233.05937	0.8
234.14951	1.2
249.22166	0.6
262.18127	0.7
272.11896	13.9
273.12558	2.7
277.21643	6.8
278.21719	0.5
294.24252	1.2
295.22610	2.7
296.85342	0.6
308.09164	1.3
308.18375	3.2
309.18921	0.7
324.23676	0.7
326.21466	1.4
334.22015	1.5
335.20474	3.2
352.23053	13.6
353.21652	1.7
370.24155	8.6
378.29022	0.5
380.22650	1.1
409.25040	0.6
447.74066	0.5
455.25757	100.0
456.26065	4.8
481.27689	0.6
509.26654	0.8
527.27966	3.8
584.29980	1.5
585.29059	0.5
602.31738	9.9
603.30560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25428	0.2
51.61313	0.2
53.03927	0.5
55.01872	1.4
55.05260	0.3
55.05510	4.0
56.05022	0.6
57.07064	0.7
58.99578	1.4
65.03916	0.7
67.05505	15.4
68.04999	0.4
69.03403	0.4
69.07069	6.6
71.04963	0.4
71.08602	1.1
73.01114	0.3
74.00666	3.3
76.02222	1.4
78.33073	0.2
79.05056	0.3
79.05494	5.8
80.05010	1.6
81.03400	1.1
81.05762	0.4
81.07056	14.2
82.06556	0.3
83.04992	1.1
83.06095	1.3
83.08612	1.4
84.04505	5.6
85.01111	0.7
86.00652	2.1
86.99044	0.5
87.02671	0.7
88.02186	0.7
91.05470	3.5
93.06458	0.3
93.07045	6.9
94.06545	1.0
95.04960	1.8
95.08607	12.4
97.01128	1.9
97.06570	1.2
97.10151	0.8
98.00607	0.7
98.23495	0.6
99.00708	0.2
99.01369	1.1
99.02679	0.6
99.05569	0.6
99.08102	0.6
100.02205	1.3
101.00597	0.3
101.04278	0.3
102.05536	0.3
105.04498	0.3
105.07022	2.8
107.08587	3.9
108.04480	0.2
108.08128	0.3
109.06512	0.9
109.08942	0.3
109.10154	2.9
111.02650	1.0
111.11678	0.3
112.01482	0.4
112.02189	4.4
113.00578	0.5
113.02946	0.4
113.04250	0.4
114.00138	0.3
114.03036	0.4
114.03754	5.6
116.01671	2.8
117.07018	1.3
117.53770	0.2
119.08575	3.1
120.08136	0.5
121.06483	0.4
121.10136	3.4
122.09650	0.4
123.02669	0.3
123.08038	1.0
123.11683	1.0
125.04214	0.3
125.09625	0.4
126.03733	1.3
129.06532	1.6
130.05003	1.7
131.08549	1.0
133.10153	1.4
134.09677	0.4
135.11729	1.5
136.03926	0.5
136.11217	0.4
137.04225	0.5
137.09615	2.4
137.13203	1.8
139.03239	0.6
139.05705	0.5
139.11182	1.0
140.01530	0.4
140.05266	0.7
141.04805	0.4
142.03191	0.3
143.02711	0.6
143.08594	0.5
144.01111	0.8
145.06096	0.6
145.10081	1.1
147.08023	0.3
147.11674	1.2
149.09590	0.4
149.13235	1.0
150.12773	0.8
151.05693	0.6
151.07617	0.3
151.11168	0.9
153.06334	0.4
153.07408	0.6
153.12695	0.3
154.06853	0.2
157.10031	0.5
159.02219	0.3
159.11769	0.6
161.09532	0.3
161.13239	0.9
162.02180	0.8
162.12764	0.7
163.11179	0.5
164.14354	0.6
165.12740	0.5
167.08873	0.8
167.14314	0.2
167.27843	0.2
169.04225	0.6
171.11682	0.8
173.13251	0.5
175.14853	0.5
176.14288	0.3
178.12286	0.5
179.04871	0.5
179.08876	0.6
179.14391	0.4
180.08372	0.3
181.06033	0.5
181.12299	0.7
185.03781	2.2
185.13225	0.4
186.02164	0.4
187.05371	0.7
189.03300	0.8
190.15852	0.4
193.15883	0.3
196.11555	5.4
196.13348	0.4
197.09988	0.3
198.13046	0.3
199.07242	0.3
206.09996	0.4
210.09503	0.3
210.13112	0.6
215.04842	2.4
216.05644	2.2
222.09515	0.5
222.14975	0.3
224.11034	21.3
225.09422	0.7
225.11531	0.6
229.06329	0.3
231.04350	3.1
231.21036	0.7
233.05917	1.0
236.10693	0.3
236.16533	0.3
240.10538	0.3
241.11227	1.3
241.19577	0.4
242.12093	34.4
243.12361	0.6
243.52727	0.2
249.22125	0.9
252.10594	0.3
254.12126	0.6
256.13705	0.3
259.20505	0.6
269.10770	0.6
277.21649	5.7
278.21927	0.3
282.15540	0.3
291.17822	0.6
292.22937	0.3
294.24237	0.9
295.22684	4.0
297.12613	0.3
298.13556	0.5
299.14191	0.8
307.21133	0.4
308.09076	1.2
309.18744	0.7
315.98212	0.3
317.19153	0.3
324.23734	0.2
325.22012	1.1
326.21515	1.0
334.21936	1.7
335.20306	2.3
343.13400	0.4
344.14011	8.8
345.14658	1.2
352.23041	12.8
353.21274	3.2
370.24100	8.4
380.22430	0.3
409.25327	0.7
437.24405	0.5
455.25735	100.0
456.26001	3.5
527.27814	5.0
528.28387	0.3
539.27783	0.4
584.29858	1.1
585.29053	0.3
602.31091	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	602.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01875	5.9
55.05515	3.2
57.03442	4.8
61.02906	4.5
64.56103	1.7
67.05518	5.6
69.03429	28.3
71.04997	3.7
71.44989	2.4
73.02915	6.0
79.05513	7.9
80.46198	1.8
81.03410	24.1
81.07061	9.6
85.02908	82.4
86.09734	1.9
87.00832	40.3
88.90550	1.9
91.03944	2.8
91.05484	9.8
93.07041	10.5
95.08628	13.4
97.02892	40.1
97.10183	3.9
97.93130	1.7
99.04457	14.0
100.11279	2.4
102.55032	1.9
105.01864	55.0
105.07037	9.3
107.08597	11.2
108.04482	4.0
109.02872	37.0
109.10175	9.0
111.04501	1.9
117.01838	3.8
117.07032	4.3
119.08609	7.7
121.10154	9.4
123.11714	3.5
124.82586	1.7
126.05566	2.2
127.03920	74.6
127.08871	2.2
129.01833	2.8
129.07025	2.6
131.08563	8.4
132.33746	2.2
133.10152	8.4
135.11705	10.5
139.11278	2.2
143.08549	2.3
145.04974	38.6
145.10149	10.6
147.11700	15.9
149.13260	5.9
157.27176	2.1
159.02899	20.0
159.11694	11.9
161.13287	8.3
171.11768	2.0
173.13264	10.8
175.14876	2.3
177.12767	4.3
185.13225	4.1
189.03931	2.6
191.14304	11.7
193.12285	2.5
197.13295	1.9
199.14867	7.1
203.14421	4.4
213.04027	6.7
213.16408	2.4
231.04976	31.1
249.05988	9.1
255.21089	48.8
256.21429	2.2
271.20731	2.8
273.22119	100.0
274.22717	2.2
274.26205	1.9
283.20587	12.1
301.21591	35.0
315.22626	2.2
317.21274	3.7
319.22675	63.3
320.61227	1.9
343.13892	2.4
378.24271	2.1
485.25497	3.4
503.26465	3.2
521.27606	4.5
549.27020	9.3
602.28156	2.7
602.42426	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	602.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01877	10.6
55.05514	2.0
57.03440	5.1
61.02934	6.0
61.18666	0.6
67.05508	2.1
68.99779	3.6
69.03432	32.4
69.07073	0.7
69.77769	2.1
69.78104	0.7
70.06588	3.5
71.05002	5.1
73.02924	9.3
79.05497	2.4
81.03419	30.5
81.07071	6.2
83.01369	1.3
83.08595	0.8
85.02908	100.0
86.09712	0.7
86.96558	0.6
87.00832	43.2
87.04469	0.9
91.03977	3.0
91.05476	3.8
93.07053	4.5
94.56179	0.6
95.08608	6.7
97.02895	48.3
97.10174	2.1
98.06089	1.1
99.04460	17.2
101.02393	0.9
105.01871	62.8
105.07047	6.7
107.08615	5.2
108.04479	4.8
109.02885	41.2
109.10155	4.4
111.04440	1.2
111.11716	1.1
115.03944	1.4
117.01863	4.2
117.07039	3.8
117.16628	0.7
119.08571	5.2
119.38699	0.6
121.06480	0.7
121.10152	5.4
123.11722	2.2
126.05489	0.8
127.03921	85.2
129.01837	5.0
129.06943	0.8
131.08566	6.1
133.10120	4.1
135.11676	3.8
143.08549	1.9
145.04961	47.7
145.10077	4.5
147.02907	2.9
147.11684	6.5
149.13278	2.3
151.11169	1.2
157.10143	1.4
159.02896	24.9
159.04195	1.5
159.11697	6.7
161.13260	3.2
171.02933	0.8
171.11705	1.0
173.13269	8.5
175.14821	1.7
177.04012	1.0
177.12767	1.3
183.14948	1.0
185.13269	3.2
187.14816	1.0
189.03999	3.0
191.14278	4.3
193.12221	0.8
193.60085	0.7
194.82144	0.7
199.14790	4.6
211.14525	1.8
213.03961	5.4
213.16379	1.2
215.17955	0.8
227.17999	2.4
230.06657	1.6
231.05009	30.8
245.22565	1.4
248.07622	3.4
249.06081	11.0
255.21085	40.4
256.21338	1.5
266.08728	2.3
273.22141	41.8
274.22516	1.2
283.20560	3.5
299.20432	0.9
301.21619	24.9
302.22119	1.0
319.22681	16.2
320.23083	0.9
336.25079	0.9
337.23624	1.2
376.22351	1.2
485.25555	1.4
503.26529	1.5
521.27582	1.9
531.25848	1.4
549.26874	11.4
584.30548	1.1
602.19421	1.6
602.28125	1.0
602.42480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
56.05025	1.1
58.06593	1.6
58.85078	0.7
59.07393	0.6
60.08162	5.6
62.05249	0.6
62.73729	0.6
67.05497	1.8
69.07072	1.4
71.07377	4.2
79.05485	0.7
81.07047	2.3
86.09705	23.0
91.05484	0.9
95.08587	2.3
102.09135	0.9
104.10740	100.0
105.07001	1.1
108.52462	0.7
109.10181	0.7
116.52887	0.6
121.06526	1.0
125.00005	2.2
132.61462	0.7
135.08038	0.7
139.67052	0.6
146.98209	0.8
151.07605	0.7
155.70047	0.7
156.97501	1.4
163.01605	0.7
164.97977	0.7
174.98555	1.4
181.02580	0.9
182.99019	9.1
184.07373	0.8
201.00047	9.8
205.13043	0.6
206.00670	1.1
208.93016	0.9
213.00175	1.9
221.00635	1.3
225.00111	1.7
239.01625	6.8
240.09988	2.5
243.01137	3.5
262.00061	0.6
262.03165	1.0
265.03284	0.8
266.06424	1.9
268.00385	1.4
284.07425	4.6
303.21591	0.9
321.22678	3.8
322.01166	0.9
339.23911	1.3
422.81241	0.6
426.64777	0.6
457.22162	1.9
483.23758	1.1
486.28241	2.6
502.33344	0.8
542.31226	4.5
543.29413	0.6
602.25195	0.7
602.33221	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	603.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74917	0.3
69.36316	1.8
70.06600	0.4
137.06065	0.4
149.45763	0.4
169.47824	0.4
185.04269	1.5
207.06538	0.8
309.09631	0.4
425.12003	0.6
440.14273	1.9
441.15213	2.9
471.46048	0.4
491.21274	0.4
603.20453	100.0
604.20770	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	603.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
67.05494	3.8
69.07063	1.2
79.05482	2.1
81.07055	3.4
91.05489	1.2
93.07041	2.4
95.04976	1.2
95.08630	3.8
98.22715	3.4
105.07039	1.3
107.08614	1.2
109.10116	1.4
117.67779	0.9
119.08580	1.2
119.45913	1.0
121.10155	1.2
131.08578	1.7
135.11682	1.3
185.06027	1.7
202.39360	0.9
251.12610	2.7
267.59866	0.9
269.13589	6.6
325.16260	3.1
335.25986	1.2
559.35913	1.1
585.37872	3.7
603.38599	100.0
604.38983	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	603.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
57.07066	0.6
67.05507	1.5
69.03423	0.4
69.07039	0.7
69.20174	0.4
70.70379	0.5
76.79747	0.3
79.05502	1.3
81.03445	0.8
81.07053	3.1
83.05022	0.4
83.08644	0.6
85.02929	0.8
91.05499	1.1
93.07060	1.3
95.04965	0.7
95.08615	1.6
105.04572	0.4
105.07036	1.1
107.08596	0.7
119.08611	0.8
121.10181	0.9
131.08578	0.5
135.11798	0.4
142.91650	0.3
145.10123	0.5
147.11765	0.6
176.92451	0.6
193.12366	0.6
194.93419	0.6
225.47270	0.3
251.12639	1.4
301.21317	0.6
307.15213	2.4
308.97699	0.4
319.22348	2.9
335.25809	0.4
375.25116	1.1
585.45776	0.8
603.38666	100.0
604.38983	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	603.3872
Annotation	UNII-HKA5772VF6
Peak:m/z	Relative Intensity
53.84876	0.8
55.05499	1.4
57.03460	0.8
64.67509	0.7
69.20351	0.8
69.20647	3.9
72.49509	0.7
79.05495	2.1
81.07067	4.3
83.04952	0.6
91.05476	1.6
93.07053	3.1
95.08613	3.1
105.07051	1.1
107.08607	2.2
109.10186	1.6
112.53739	0.9
119.08607	1.4
121.10162	1.6
129.07048	0.7
135.11679	0.8
153.30699	0.7
176.61967	0.6
251.12607	3.1
269.13586	9.3
286.87585	0.7
307.15088	1.1
325.16211	1.9
335.25842	1.6
434.33075	0.7
585.37531	4.2
603.38647	100.0
604.38934	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	604.291
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43525	2.4
67.05517	3.6
67.81217	2.9
69.56721	3.0
69.93725	3.0
69.94070	8.6
77.01143	2.8
79.05486	7.4
81.07073	4.1
89.62217	2.5
91.05486	17.3
93.07038	5.3
95.08575	3.8
101.07569	2.6
103.34215	3.0
105.07007	14.2
107.04921	4.6
109.06526	3.3
121.06517	64.2
123.04411	3.0
123.08079	4.3
135.08057	46.0
136.08348	3.0
137.05969	26.5
137.09486	2.8
139.07587	3.7
147.08000	7.6
149.05974	23.6
150.06741	4.3
151.07542	32.4
163.07532	10.8
165.09109	6.7
175.07555	3.9
191.10565	4.7
203.10516	2.8
211.11171	3.6
215.19510	2.7
225.45393	3.1
226.09972	6.0
239.10666	3.5
240.11589	3.3
240.17455	2.8
241.12201	3.3
271.13278	100.0
283.12991	3.7
284.14050	4.0
285.14880	9.1
286.15283	3.2
296.10294	3.7
297.11203	2.9
309.14688	3.5
347.16345	7.2
379.90271	3.0
417.16949	20.2
541.25629	8.7
545.25000	12.4
569.25378	97.6
570.24982	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	604.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13723	1.2
59.20301	1.0
67.98317	0.9
68.38526	1.1
69.66566	2.0
73.06523	1.2
79.05482	1.2
91.05474	3.6
92.91257	1.2
93.07021	1.3
105.07018	3.5
119.76113	1.1
121.06502	6.7
135.08047	12.3
137.05984	1.3
151.07524	4.1
165.06973	1.9
165.09154	5.4
166.07802	1.5
178.07732	1.4
179.10620	1.3
181.10115	2.2
183.08034	2.4
185.09631	2.1
191.08603	3.0
193.10132	1.5
194.07286	3.2
195.08051	3.4
197.09578	1.8
198.10521	1.2
199.11249	1.7
208.08789	6.1
209.09610	20.8
210.10350	2.2
211.07559	10.0
211.11057	1.5
213.12808	1.4
220.08823	1.8
221.06139	1.3
222.06711	2.0
223.07562	2.2
223.11197	12.5
224.12166	1.3
225.09094	5.5
226.09912	16.3
227.10516	1.6
236.08281	3.3
237.09059	12.1
238.09865	9.9
239.07001	7.0
239.10597	2.0
240.11462	5.3
241.12218	23.3
243.10153	1.2
251.10683	7.3
252.11430	6.8
253.08601	8.2
253.12195	1.4
254.09393	23.2
255.10120	3.2
255.13820	5.0
267.10229	3.0
268.11002	6.9
269.11719	91.0
270.12167	6.3
271.09659	4.6
283.13260	24.5
285.14880	4.1
286.11987	7.0
286.14981	1.3
301.14337	100.0
302.14575	5.0
379.28018	2.1
534.71393	1.2
587.29352	1.5
604.38879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79507	2.0
55.05490	2.3
69.78452	2.2
70.02047	5.0
79.05491	5.4
81.07040	3.2
91.05496	12.7
93.07063	2.6
99.49096	2.3
105.07037	17.3
109.06547	3.1
119.08599	2.3
121.06507	29.9
123.08076	5.3
133.06494	2.8
135.08051	62.7
136.08354	3.1
137.05992	6.0
147.08026	5.8
148.08806	3.2
150.06729	2.9
151.07527	39.6
157.49173	2.5
161.09607	3.5
163.07564	19.6
165.09154	10.1
175.07552	3.1
177.09149	5.5
193.14609	2.4
253.12267	3.5
255.10013	2.6
269.11758	3.5
270.12701	5.1
285.14838	100.0
286.15128	3.9
293.21133	2.5
303.15802	7.3
317.16144	4.4
339.15717	3.2
379.28131	3.9
493.22961	4.6
551.27631	6.7
569.28613	7.0
604.39362	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	604.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.52448	0.3
55.01877	0.7
55.05513	1.6
57.03420	0.5
57.07062	0.3
62.06094	0.6
62.45144	0.3
62.59388	0.2
67.05512	2.5
67.76855	0.3
69.03431	1.5
69.07070	1.6
70.06588	0.6
71.04980	0.7
71.08637	4.9
72.08132	1.0
79.05494	2.5
80.05822	0.3
81.03419	1.5
81.07056	5.0
83.04982	0.5
83.08607	1.2
84.08140	1.3
85.02914	2.8
86.06075	6.2
87.04480	0.3
91.05475	2.8
92.05778	0.4
93.07047	2.1
94.07372	0.3
95.04971	1.8
95.08604	2.6
96.05314	0.5
96.08133	2.6
97.02893	0.8
97.06546	1.6
97.10152	0.6
98.06059	0.5
98.09692	2.8
99.04449	0.4
99.08103	2.9
103.05521	0.3
105.07053	2.0
107.04935	0.8
107.08599	2.1
108.08109	1.2
109.02876	0.8
109.06535	0.8
109.10166	1.3
110.09679	0.4
111.08086	0.5
113.05979	0.3
115.05455	0.6
116.10738	20.5
117.07047	0.6
119.08576	2.2
120.08958	0.3
121.06507	0.3
121.10131	1.0
122.09696	1.1
123.08046	0.8
123.11723	0.7
124.07603	0.8
125.09618	0.6
126.09115	0.4
127.03915	0.9
127.11120	0.4
129.07011	0.9
131.04901	0.4
131.08588	1.0
133.10135	1.3
134.10501	0.4
135.08035	0.4
135.11707	0.8
136.11227	0.4
137.13257	0.4
138.09193	0.4
140.10727	0.5
142.08655	0.9
143.08549	0.3
143.10654	2.1
145.10139	0.8
147.04471	0.3
147.08060	0.6
147.11679	3.2
149.09567	0.6
149.13287	0.4
150.12840	0.4
154.15898	2.8
156.60580	0.3
157.10066	1.4
159.08044	0.4
159.11653	0.3
161.06041	0.4
163.11238	0.3
164.14403	0.6
165.12842	0.5
166.15932	2.1
168.17374	0.5
173.05981	0.9
175.11220	1.5
178.15913	1.0
187.07542	0.4
189.05388	0.5
193.12204	1.9
196.16994	6.5
211.13232	0.8
214.18022	100.0
215.18295	2.0
217.11923	0.5
229.14349	1.2
254.17535	0.3
273.14627	0.4
284.13745	0.4
293.20941	0.6
301.14334	0.7
302.14624	1.0
303.23120	0.5
308.22202	0.8
326.23285	3.4
344.24374	7.8
376.18607	0.5
376.23315	2.7
408.16040	0.3
410.18698	0.3
424.25327	0.4
424.30585	4.7
442.31619	8.6
443.31567	0.4
470.47534	0.3
488.27335	0.3
506.29422	1.3
512.27600	0.3
544.29639	0.6
556.29700	0.4
568.29517	0.5
586.30695	2.3
587.20758	0.4
604.30444	1.1
604.36597	1.3
605.21606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18346	13.2
57.07074	52.5
57.43295	14.8
60.63448	14.8
67.05508	21.1
69.15113	53.9
69.15523	35.9
71.08633	35.2
79.05473	22.6
80.59895	14.6
81.03422	88.4
81.07059	20.3
83.08630	29.8
85.10237	22.2
91.05477	24.0
95.04973	22.4
95.08575	27.1
98.23491	32.1
119.08620	20.3
157.10124	15.3
193.12210	29.9
267.15866	100.0
322.33008	16.3
327.28848	78.6
341.30484	26.3
345.54425	17.6
519.40228	48.1
533.41986	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01865	1.5
69.93459	1.4
79.05482	3.1
81.07041	2.2
91.05495	4.1
94.04197	3.7
95.04961	2.9
103.05488	1.8
104.96733	1.2
105.03398	9.3
105.04532	1.6
105.07024	9.8
107.04948	1.6
109.06514	3.8
115.05461	4.0
121.06506	2.6
122.03624	7.1
128.06241	2.2
133.06477	5.4
135.08029	1.5
137.05974	87.1
138.06302	1.7
146.03630	3.9
150.06673	1.6
151.07568	1.6
156.05608	1.5
161.05974	58.2
169.06516	1.1
171.08069	1.4
175.07597	1.4
184.05217	4.0
191.08525	2.1
192.09390	2.0
199.07549	22.9
202.07773	9.5
203.08568	19.9
204.09271	1.8
213.71730	1.3
215.08531	1.5
219.08064	4.3
220.08791	6.6
230.07214	1.8
231.08046	37.2
232.08705	6.4
235.11095	1.5
247.07564	3.5
248.08302	15.8
258.06796	2.1
259.07562	29.3
260.08310	21.0
262.10016	3.1
263.10635	15.1
275.07074	2.2
276.07809	12.9
276.30682	1.3
277.08600	5.0
291.10147	100.0
292.10809	7.8
293.07996	1.9
295.13266	3.4
308.10431	3.3
323.12772	89.5
324.13132	3.1
342.30518	1.5
361.08386	37.5
445.16870	1.7
483.12085	25.0
493.22723	2.6
549.53119	1.4
604.34021	6.0
605.34186	4.5
605.48828	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	605.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53947	0.4
60.47792	0.4
69.03450	0.6
69.79426	1.6
70.06596	0.7
73.39049	0.4
81.03409	0.7
85.02908	1.8
86.03268	0.5
87.00854	1.1
97.02931	0.6
99.04447	0.4
100.11278	0.9
104.62885	0.4
105.01868	1.4
109.02879	0.6
111.04632	0.4
127.03934	1.6
128.04282	0.7
145.05000	0.7
159.02890	0.6
176.04419	0.8
177.05299	1.6
182.15434	0.6
187.03720	0.7
189.05209	0.5
201.05290	1.7
208.17549	0.4
218.05638	0.6
219.06248	0.4
276.60660	0.4
341.10208	0.8
360.01266	0.4
361.10260	2.7
362.11374	0.5
363.12091	0.7
365.10086	1.8
371.10962	3.8
377.09930	3.5
379.11588	1.7
380.12445	2.4
381.13254	1.0
391.11642	0.5
392.12189	3.8
393.12805	0.7
395.10977	6.5
409.12912	0.7
410.13345	26.2
411.14069	8.0
423.14462	0.4
429.14841	0.5
451.16351	0.6
452.16541	0.6
545.17657	1.6
574.17706	0.8
575.19128	4.3
584.61029	0.5
605.19916	100.0
606.20380	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	605.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.8
70.06592	0.8
71.46078	0.6
73.83256	0.5
74.13982	0.5
74.80175	0.5
77.46071	0.5
84.08145	1.0
93.07070	0.7
93.93495	0.5
95.08614	0.8
108.47208	0.5
119.44932	0.6
209.79951	0.5
270.12366	0.6
290.17630	1.2
375.08105	0.7
378.10880	0.8
393.09579	2.2
408.12015	4.0
434.21835	1.0
575.18854	1.0
605.19946	100.0
606.20416	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	605.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
55.01870	3.6
69.79202	2.7
77.03912	1.4
78.31309	0.8
79.05499	9.1
91.05474	2.2
93.07034	1.4
95.04971	3.8
98.23430	1.1
103.05473	14.8
105.03415	8.3
105.04530	1.9
105.07034	70.9
106.04196	0.9
107.04950	1.8
107.76940	0.8
115.05466	15.7
118.04131	5.0
119.04965	2.0
121.06484	3.9
130.04137	0.9
131.04913	7.5
132.05664	0.8
133.06496	61.1
143.04967	1.9
143.06029	7.3
144.36623	0.8
148.05177	2.9
149.06000	9.8
159.04446	1.8
161.05984	100.0
162.06400	3.1
163.07536	4.4
164.92050	1.0
176.04457	11.8
177.05490	10.2
179.07121	1.7
184.04991	9.5
185.05760	4.7
191.07042	15.9
193.08604	43.9
205.04790	1.3
209.08130	8.5
215.06793	64.4
216.07108	1.5
230.05537	3.3
231.06265	11.2
256.09451	1.0
274.08252	1.3
352.09024	2.5
352.12891	1.0
353.09964	24.9
354.10349	1.2
545.17810	24.7
546.17786	1.6
600.46265	0.9
605.19830	9.0
606.20361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
69.14114	7.6
79.05492	7.7
81.51665	1.2
89.03949	1.5
91.05473	3.4
95.04971	2.9
102.04652	1.5
103.05450	12.3
105.03400	4.2
105.04510	1.9
105.07033	66.9
107.04949	1.4
107.40222	1.3
115.05460	13.1
118.04174	5.3
119.04919	1.5
121.06555	3.1
126.54549	1.1
131.04936	7.4
133.06490	60.3
143.06073	6.1
148.05209	3.5
149.05974	8.3
160.98312	1.3
161.00774	1.3
161.05978	100.0
163.07533	4.1
176.04483	9.8
177.05484	8.8
179.06912	1.4
184.04897	10.6
185.05766	3.8
191.07022	18.2
193.08611	46.7
209.08107	6.4
215.06776	55.5
216.07246	2.7
230.05643	1.7
231.06227	3.9
290.07697	1.6
291.08392	11.8
305.36203	1.4
329.10062	1.6
360.30023	1.5
374.72427	1.3
381.13049	2.3
473.02789	1.3
483.16306	33.3
484.16431	1.8
492.69058	1.5
501.87787	1.4
605.19324	8.1
622.25275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	2.7
58.69170	0.4
70.06602	4.2
70.59229	0.7
71.08631	1.6
88.07636	8.3
92.48663	0.4
102.09179	1.7
106.08665	4.4
108.55017	0.4
174.18527	0.5
200.20120	4.3
204.06625	0.6
218.21155	100.0
219.21478	2.1
490.90399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46378	0.4
57.07071	2.2
64.93748	0.4
65.05922	0.4
66.26353	0.4
69.65680	1.5
69.66046	0.4
70.06593	4.9
71.08619	1.8
88.07629	9.2
98.23473	0.7
102.09167	2.1
106.08662	4.4
124.19981	0.4
132.87170	0.5
156.17580	0.4
174.18304	0.5
190.87180	0.4
200.20103	4.1
204.06516	0.5
208.03453	0.5
218.21159	100.0
219.21504	2.9
242.35696	0.4
338.46744	0.4
368.50830	0.4
394.50671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58116	0.3
57.07071	3.0
70.06233	0.6
70.06594	6.6
71.08639	1.8
73.16220	0.3
76.98141	0.4
82.84670	0.3
88.07632	9.6
98.22631	0.7
102.09191	2.8
106.08672	5.1
113.04724	0.3
156.17480	1.0
164.23724	0.3
168.34149	0.3
174.18550	0.8
189.88811	0.3
192.81999	0.3
200.20079	4.3
218.21155	100.0
219.21538	2.4
293.51257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45329	0.3
55.33088	0.3
55.63076	0.3
57.07082	2.6
69.63593	0.7
69.63966	0.5
70.06595	5.3
71.08641	1.7
85.02927	0.3
87.75549	0.3
88.07639	8.6
97.06617	0.3
102.09180	2.5
106.08670	5.1
110.87499	0.3
115.24655	0.3
174.18526	0.7
189.09099	0.6
200.20114	3.9
215.20422	0.3
218.21165	100.0
219.21506	1.8
388.21091	0.8
470.08670	0.3
489.21548	0.3
513.53503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
54.67337	1.6
55.01874	3.3
57.03428	7.4
58.85201	1.6
61.02933	8.5
69.03427	34.9
70.06585	2.9
71.05022	1.6
73.02914	10.6
81.03419	24.8
85.02908	92.1
87.04465	21.1
91.03950	5.3
95.01321	13.3
97.02895	25.7
99.04458	6.0
100.65083	1.5
103.03902	2.7
105.07063	1.7
109.02873	17.8
115.03930	73.2
127.03920	49.6
133.04973	27.9
133.06474	3.0
135.04459	7.1
137.02347	2.3
137.05991	2.1
139.03900	5.7
139.05365	2.2
140.29272	1.6
141.06993	2.7
143.04942	4.0
145.04951	54.5
147.04424	5.7
149.05995	2.0
149.47920	1.7
157.06519	4.9
159.45605	1.7
161.05998	13.3
163.03911	34.2
163.05969	8.5
169.06427	2.2
175.03943	4.5
175.06105	1.8
175.07547	4.9
177.05493	4.9
181.04994	6.0
182.05057	1.6
185.05914	10.9
187.04027	3.1
187.07368	1.8
189.05498	17.3
191.03403	6.6
193.04961	4.6
199.04202	1.7
203.07013	6.9
205.04987	7.1
207.06528	4.6
213.05472	25.0
215.07048	5.7
217.04951	10.0
231.06523	45.7
231.08701	3.2
233.04506	2.2
235.06017	5.7
239.31705	2.2
241.05016	9.8
241.07022	2.4
247.05907	3.3
249.07730	3.4
259.05960	100.0
259.08221	15.1
265.07269	4.5
277.06772	44.6
277.09320	14.8
281.61752	1.8
284.56088	2.3
295.08087	12.6
517.13074	4.0
535.14453	4.6
606.23706	12.9
606.32782	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
54.67337	1.6
55.01874	3.3
57.03428	7.4
58.85201	1.6
61.02933	8.5
69.03427	34.9
70.06585	2.9
71.05022	1.6
73.02914	10.6
81.03419	24.8
85.02908	92.1
87.04465	21.1
91.03950	5.3
95.01321	13.3
97.02895	25.7
99.04458	6.0
100.65083	1.5
103.03902	2.7
105.07063	1.7
109.02873	17.8
115.03930	73.2
127.03920	49.6
133.04973	27.9
133.06474	3.0
135.04459	7.1
137.02347	2.3
137.05991	2.1
139.03900	5.7
139.05365	2.2
140.29272	1.6
141.06993	2.7
143.04942	4.0
145.04951	54.5
147.04424	5.7
149.05995	2.0
149.47920	1.7
157.06519	4.9
159.45605	1.7
161.05998	13.3
163.03911	34.2
163.05969	8.5
169.06427	2.2
175.03943	4.5
175.06105	1.8
175.07547	4.9
177.05493	4.9
181.04994	6.0
182.05057	1.6
185.05914	10.9
187.04027	3.1
187.07368	1.8
189.05498	17.3
191.03403	6.6
193.04961	4.6
199.04202	1.7
203.07013	6.9
205.04987	7.1
207.06528	4.6
213.05472	25.0
215.07048	5.7
217.04951	10.0
231.06523	45.7
231.08701	3.2
233.04506	2.2
235.06017	5.7
239.31705	2.2
241.05016	9.8
241.07022	2.4
247.05907	3.3
249.07730	3.4
259.05960	100.0
259.08221	15.1
265.07269	4.5
277.06772	44.6
277.09320	14.8
281.61752	1.8
284.56088	2.3
295.08087	12.6
517.13074	4.0
535.14453	4.6
606.23706	12.9
606.32782	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93949	0.8
55.01871	1.4
55.05507	2.4
58.10569	0.7
67.05510	3.9
69.03391	1.1
69.07067	2.5
76.42578	0.7
76.96444	0.7
79.05487	5.8
80.05022	6.1
81.03403	1.4
81.05794	1.0
81.06624	1.5
81.07060	16.9
82.06581	28.6
83.04955	0.8
83.08598	1.5
85.02890	2.1
91.05471	4.3
93.07061	3.2
94.06564	32.9
95.04959	5.3
95.08609	1.9
96.08121	2.3
97.02898	0.9
97.06531	1.2
97.10165	2.0
101.02395	1.8
107.04945	3.8
108.08117	18.6
108.08841	1.6
109.06522	2.4
109.10124	1.0
119.04942	1.4
124.07574	15.2
125.05981	0.8
125.09591	1.2
136.07574	12.6
137.06017	2.7
142.07509	2.0
142.08633	46.6
154.08624	100.0
155.09012	1.9
172.09703	9.2
227.12825	2.7
272.25854	1.0
282.24359	1.2
359.25562	0.8
396.31100	13.0
397.31320	1.1
408.31186	15.4
409.31161	0.9
426.32120	71.4
427.32452	4.5
444.33322	1.5
453.24417	1.2
498.84204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	2.1
69.17355	4.7
70.06606	1.0
89.03919	1.4
91.05474	1.9
93.03391	0.9
93.19717	0.8
94.04184	2.8
95.04984	1.7
111.00813	1.0
111.04440	1.8
117.03397	1.5
119.04955	1.9
122.03646	7.0
123.04437	3.1
127.03934	2.6
131.04956	1.2
133.06561	0.8
135.04433	1.1
137.05978	81.6
138.06328	0.8
139.03903	36.4
141.06956	0.8
143.04910	1.0
147.04404	7.3
149.02411	1.9
149.05980	64.1
150.06372	1.3
151.03897	11.0
151.05037	1.0
153.05478	2.4
159.04445	2.8
161.05994	1.0
162.03206	0.8
163.03891	12.2
165.05487	1.2
167.03435	3.5
169.06497	1.1
173.05946	0.9
175.03944	3.5
175.07562	1.6
177.05473	100.0
178.05829	2.0
179.03444	2.5
179.07045	2.7
187.03938	0.9
189.05463	2.7
191.03391	9.0
191.07181	1.2
193.05002	3.6
195.08084	1.0
197.06053	1.1
200.04779	0.8
201.05420	7.3
203.03374	7.4
205.04953	1.4
213.05490	1.5
215.03433	1.2
215.07013	2.2
217.04884	1.7
217.08598	1.0
219.06500	1.0
221.08081	0.9
225.05620	1.1
229.04915	3.8
229.08601	2.4
233.04526	5.1
241.04933	1.5
243.06502	1.9
245.04443	7.0
245.08128	1.1
253.05011	1.0
257.04437	10.7
257.08047	3.1
259.05945	1.0
261.07565	15.8
269.04510	3.1
269.07935	1.2
271.06046	2.4
271.09436	1.2
273.07590	7.4
275.05484	14.2
285.07565	10.3
287.05527	24.5
287.08633	0.8
288.05853	1.4
297.07648	3.6
299.05481	3.9
299.08823	0.8
301.06894	1.0
301.10776	2.5
303.08670	9.4
305.10172	10.7
311.05603	1.0
315.08646	7.4
317.10086	1.7
405.09729	1.1
421.12860	2.0
423.10751	29.9
424.10846	1.1
435.10880	1.3
439.13858	2.7
441.11954	3.1
447.11142	0.8
463.13925	1.0
469.14850	1.0
518.13312	0.8
607.18781	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02388	0.5
51.99800	0.2
53.03941	0.6
55.01862	0.5
63.02379	0.2
69.12985	0.9
69.13396	0.3
73.11523	0.2
75.48542	0.2
77.03905	0.9
79.05497	1.3
91.05471	2.3
95.04961	2.0
100.98499	0.2
102.04684	0.3
103.05463	47.0
104.05795	0.9
105.02672	0.3
105.03388	5.8
105.04446	1.0
105.07030	10.0
107.04926	0.2
111.26768	0.2
115.05448	1.9
119.04939	5.0
128.06177	0.2
128.87880	0.2
131.04922	100.0
132.05255	1.8
133.06480	8.6
134.06795	0.2
137.05948	1.4
143.06050	1.2
146.07262	0.6
147.04410	8.4
151.07530	0.7
159.08015	0.3
160.05151	0.3
161.05974	22.2
162.06361	0.5
163.07535	33.9
164.04619	0.2
164.07870	0.7
165.09137	0.2
172.07530	0.2
173.51625	0.1
179.07027	7.0
183.28619	0.2
185.05731	8.8
199.07541	2.0
201.01938	0.2
201.05200	0.8
201.12558	0.2
202.07564	0.2
203.08485	0.4
230.21645	0.2
231.08023	0.8
234.71448	0.2
259.07510	0.6
260.08304	0.4
263.10831	0.3
265.08887	0.2
271.63254	0.2
276.07733	0.2
283.01987	0.2
291.10138	4.9
292.10660	0.3
295.13150	0.4
301.10605	0.5
321.10913	0.6
323.08768	2.0
323.12732	2.2
485.15710	8.3
486.15683	0.5
499.20255	0.2
607.19061	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27014	0.2
50.95699	0.2
55.05525	0.2
56.13486	0.2
69.64275	0.2
78.38325	0.2
84.14093	0.2
93.40906	0.2
117.81676	0.2
175.03693	0.2
176.04454	0.3
177.05284	0.3
343.11353	0.3
370.46918	0.2
395.10974	3.3
409.12335	0.3
410.13321	8.2
411.13638	0.5
559.19189	0.4
607.21460	100.0
608.21777	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	607.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46515	0.6
69.48505	1.8
69.48883	1.2
72.60059	0.5
77.79231	0.6
79.58479	0.5
100.11265	0.9
103.72031	0.6
164.93991	0.6
180.97957	0.6
237.00896	0.6
326.51474	0.7
326.69318	0.7
370.68454	0.7
395.10999	4.3
410.13370	10.7
411.14066	0.9
546.98669	0.6
607.21460	100.0
608.21741	3.8
636.78223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2152
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
54.82767	0.4
63.49101	0.4
70.03603	1.3
70.06594	0.5
70.46024	0.5
86.09705	0.6
88.31866	0.4
91.05502	0.6
93.07000	0.6
95.19534	0.4
98.22832	0.8
101.84660	0.5
105.07023	0.6
112.65262	0.5
121.06488	0.5
145.10081	0.7
151.03899	0.6
158.07281	0.5
159.11644	0.7
169.80301	0.5
173.09616	0.6
174.09837	0.8
215.10684	0.7
218.21216	0.6
258.22601	0.5
337.10410	0.7
361.10437	2.0
363.12088	0.6
365.09763	0.8
377.10004	1.9
380.12283	1.3
392.12192	2.2
395.11069	2.8
410.13324	6.2
411.14313	0.7
473.73392	0.5
502.38763	0.5
559.18823	0.6
577.20490	1.1
607.21478	100.0
608.21521	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	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.16156	0.6
67.05510	0.6
69.43468	0.5
69.67890	1.7
91.81897	0.6
104.10777	1.0
258.48138	0.6
258.77094	0.7
307.10736	0.7
334.84399	0.7
375.16101	0.8
388.16946	1.0
389.17700	2.4
390.18649	1.3
391.19110	0.9
401.18002	0.9
401.44055	0.6
402.18658	1.1
403.19699	3.8
404.20148	1.4
405.20819	2.6
416.15628	1.2
417.16110	3.9
417.21106	2.5
418.21918	0.9
419.22629	4.7
420.22891	1.2
430.17712	1.2
431.18369	8.8
432.19153	3.5
433.20331	2.4
445.20020	4.7
446.20966	6.3
447.21741	7.4
448.22333	1.0
459.17572	1.0
461.19812	1.6
462.24487	0.8
473.19485	1.0
474.20267	5.5
475.21002	4.5
476.21777	0.8
477.22971	1.2
487.21423	2.3
491.20850	2.5
519.24048	13.6
520.24097	1.0
529.22266	0.7
547.23389	10.1
548.23749	3.1
579.25885	5.0
607.25470	100.0
608.25720	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
53.51369	0.9
58.46769	1.2
62.15762	1.1
71.26794	1.4
72.37896	1.2
77.36813	1.0
93.49756	1.0
129.64369	1.0
401.17444	1.1
402.18054	1.8
403.19177	3.9
416.20190	2.2
417.20886	4.3
418.21381	2.1
419.22250	5.6
431.18188	9.9
432.19287	2.1
433.23938	11.6
445.19672	11.3
446.20618	5.3
447.21921	5.9
459.21436	7.2
460.22461	18.9
461.23215	17.5
473.23517	5.1
487.24838	2.5
505.21689	6.3
519.24475	2.5
547.27032	52.3
548.27618	3.2
557.40033	1.2
607.29144	100.0
608.29645	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2918
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
52.17042	3.7
55.15300	3.9
59.64650	3.5
69.40172	7.5
69.40559	6.9
114.23517	3.8
240.24689	4.8
245.43703	4.5
334.68192	4.4
431.18344	5.9
433.23859	10.2
445.20050	6.1
460.22244	8.0
461.23419	14.8
547.27130	47.1
607.29181	100.0
608.29218	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	607.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.1
53.03954	3.2
55.01863	5.2
55.05256	1.9
55.05511	30.0
57.03436	2.4
57.07072	12.7
58.70367	0.9
59.04996	3.4
65.03938	1.0
67.05506	28.4
68.99793	1.0
69.03431	15.6
69.07068	52.6
69.17341	2.3
69.17764	4.0
71.04995	6.0
71.08624	4.3
73.02921	2.0
73.06583	1.1
77.03919	1.8
79.05492	24.4
81.03416	10.5
81.07057	89.0
83.04979	15.5
83.08621	30.8
83.09098	2.0
85.02895	17.5
85.06551	6.2
85.10196	2.2
87.00848	8.8
87.04466	3.5
91.05481	18.2
93.07044	69.0
94.07391	1.7
95.04965	15.7
95.08606	73.4
96.08953	1.3
97.02879	6.6
97.06535	16.2
97.10161	10.4
98.22694	2.3
99.04485	4.8
99.08106	3.4
101.06045	1.3
103.05433	1.3
105.01870	6.8
105.04491	1.6
105.07033	29.0
106.07375	1.6
107.04971	1.3
107.08048	0.8
107.08598	38.9
109.02875	6.7
109.06522	24.3
109.10159	45.8
110.10511	1.5
111.08089	25.5
111.11718	3.7
113.05965	1.2
113.09643	1.6
115.07595	1.2
117.07001	4.6
119.08577	25.9
121.05714	0.6
121.06509	19.3
121.10143	50.9
122.06874	1.3
122.10477	1.0
123.04448	1.6
123.08092	6.2
123.11710	19.9
125.06005	3.0
125.09639	5.1
125.13284	1.0
127.03926	11.1
127.07570	4.1
127.11264	1.3
128.06238	1.9
129.07014	2.7
130.07776	1.1
131.08609	9.4
133.06494	3.5
133.10126	16.8
133.11034	1.6
135.08057	3.0
135.11703	13.1
137.09630	13.5
137.13255	21.5
137.14294	1.5
139.07530	8.3
139.11182	6.5
143.08580	3.4
145.04953	4.1
145.06523	1.5
145.10121	17.6
146.10443	5.0
147.08031	2.3
147.11685	13.6
149.09630	5.4
149.13255	22.9
151.07530	1.3
151.11153	4.8
151.14809	2.9
153.12801	1.4
155.08559	1.3
155.10703	2.8
157.08688	2.5
157.10141	5.5
159.02924	2.6
159.08052	1.7
159.11688	11.9
160.12073	2.1
161.09616	6.8
161.13252	8.7
163.11179	2.7
163.14818	9.3
165.09090	1.9
165.12750	3.7
165.16431	5.6
166.01375	1.0
167.10672	8.8
167.14330	7.0
171.11678	3.9
173.09631	6.8
173.13293	3.9
174.09953	4.6
175.11180	3.1
175.14790	7.5
177.12711	2.4
177.16391	6.9
179.10526	2.4
181.12175	1.9
183.13809	1.3
183.17438	10.2
185.11761	1.6
185.13272	3.5
187.06015	1.2
187.11212	3.8
187.14833	3.8
188.11523	2.9
189.12718	1.6
189.16391	8.7
191.14355	2.0
191.17947	1.4
193.12326	5.7
193.15825	4.7
195.17450	2.2
197.09579	1.4
197.19034	1.5
198.09898	1.5
199.14775	2.5
201.16418	2.9
203.10698	1.1
203.17947	7.1
205.12187	5.5
205.16066	1.5
206.12613	4.0
207.17448	4.3
209.19032	1.9
213.16360	3.3
215.10652	8.3
215.17905	2.2
216.11031	4.5
217.19542	4.0
219.21025	2.3
221.18985	2.7
227.17885	2.0
229.19511	5.8
231.05031	2.2
231.17461	1.7
233.11823	5.0
233.19060	1.5
234.12045	4.4
235.20618	4.2
243.21158	2.1
245.22668	3.9
249.18504	1.3
257.22607	1.4
259.24216	7.2
261.22092	2.2
263.23669	2.0
269.22662	10.6
275.23663	2.9
277.25269	4.9
279.23193	8.7
287.23679	23.5
287.26599	1.7
291.37366	1.0
293.24768	13.1
305.24744	100.0
306.25085	4.2
311.25723	1.9
323.25797	93.1
324.26132	4.6
325.14325	2.7
341.26898	8.0
348.10480	1.0
359.28354	1.5
360.66794	0.9
500.18079	1.4
517.27863	2.5
535.29193	2.1
607.24518	1.2
607.34454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68202	0.5
53.03941	1.3
55.01865	1.6
57.03427	2.3
61.02924	2.8
65.03945	1.6
69.03431	12.4
69.11312	3.9
71.04968	1.5
73.02908	2.9
76.46621	0.6
81.03420	9.6
82.04204	0.9
84.08111	0.6
85.02908	37.7
87.04469	7.9
91.03954	2.2
95.04988	0.6
97.02895	14.2
97.06519	0.9
98.06059	0.6
98.22754	1.0
99.04446	2.5
103.03922	0.6
108.04495	1.5
109.02883	6.9
110.03703	1.5
115.03936	29.3
125.06010	0.8
126.05569	0.9
127.03922	19.9
133.04971	8.3
138.03102	1.0
145.04970	20.0
153.05467	2.5
163.06044	2.7
171.06526	2.6
174.29034	0.5
181.04962	100.0
182.05257	2.1
259.08127	5.6
259.46649	0.6
277.09204	4.0
589.23657	0.8
609.91357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01862	1.3
57.03429	2.6
61.02924	3.5
65.03931	2.0
67.05517	0.7
69.03071	0.9
69.03432	13.5
69.68185	1.7
69.68581	1.1
70.06618	0.7
71.04987	1.3
72.10850	0.5
73.02917	3.3
77.70357	0.5
81.03418	8.7
82.04214	0.7
85.02906	39.8
86.09682	0.8
87.04470	7.2
91.03949	1.6
95.71550	0.6
97.02892	13.5
97.06533	0.7
99.04441	2.0
103.03985	0.7
103.07170	0.6
108.04480	1.7
109.02878	5.0
110.03657	0.7
111.04407	1.0
114.32368	0.6
115.03933	30.4
120.08070	1.9
125.05956	0.7
126.05499	0.6
126.15071	0.6
127.03925	16.9
133.04967	10.3
142.02693	0.6
145.04965	21.3
153.05446	2.9
157.04919	1.0
163.06032	3.6
171.06493	2.7
181.04959	100.0
182.05299	1.5
241.07053	1.0
256.96036	0.6
259.05801	0.8
259.08176	6.5
266.08102	0.9
277.09161	6.0
284.09070	0.7
432.03802	0.6
608.23718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01871	2.0
55.05507	11.8
57.03429	3.7
57.07078	17.5
59.04982	1.8
61.02919	1.3
62.92342	0.6
67.05504	14.3
69.03426	9.7
69.07066	24.2
71.05001	4.7
71.08622	2.2
71.46383	0.6
73.02921	1.4
74.73416	0.5
77.03922	1.0
78.99704	0.5
79.05492	10.5
81.03418	5.9
81.07056	54.0
82.07393	0.9
83.04980	2.3
83.08617	13.2
83.82507	0.6
85.02905	13.4
85.06535	4.3
85.10186	0.9
87.00836	5.1
91.05480	6.2
93.06449	1.1
93.07043	26.5
95.04966	7.7
95.08605	47.3
96.08925	0.6
97.02888	7.0
97.06521	5.7
97.10162	7.4
99.04467	3.2
99.08095	1.8
101.02324	0.6
103.97504	0.6
105.01855	4.6
105.04519	0.8
105.07027	10.5
107.05001	1.0
107.08590	17.6
109.02885	4.2
109.06529	3.4
109.10152	22.0
109.10894	1.2
111.04433	0.8
111.08084	7.5
111.11720	3.3
113.09624	1.4
115.03946	0.8
117.07005	1.4
119.08572	10.5
121.06504	1.6
121.10143	17.6
123.04475	0.7
123.08068	3.5
123.11703	17.1
125.05969	0.8
125.09623	2.8
127.03916	7.9
127.11212	1.6
129.01831	0.8
129.05493	2.4
130.04518	0.6
131.08536	4.0
133.10135	9.8
135.08055	1.4
135.11693	9.3
135.23866	0.6
137.09619	2.0
137.13255	13.9
139.03902	0.6
139.11172	2.7
141.09126	1.1
141.12741	2.1
143.08647	0.7
145.04951	2.5
145.10127	6.4
147.02950	0.6
147.11685	8.2
149.09615	2.7
149.13254	9.9
151.11174	2.6
151.14851	1.5
153.12730	1.6
155.14223	0.9
159.02914	2.0
159.11717	5.8
161.09682	0.9
161.13258	4.6
163.11182	8.8
163.14822	3.3
165.12755	3.5
165.16364	2.5
167.10638	1.1
167.14328	2.5
173.13255	2.3
175.11205	1.0
175.14810	3.4
177.12758	2.5
177.16412	2.7
181.12248	0.9
183.13823	4.0
183.17468	3.2
185.04588	0.8
185.15425	0.9
187.14731	3.0
189.16380	6.4
191.17929	1.6
193.15875	2.0
195.17525	0.7
201.14859	5.6
201.16411	1.8
203.17934	1.6
205.12318	0.7
205.15939	0.8
205.19557	1.2
207.17444	2.3
209.18983	10.3
211.16922	1.7
213.03865	0.6
215.17938	3.2
217.19537	1.9
219.17421	1.3
219.21127	0.8
231.04993	0.9
231.21140	1.2
233.18939	1.5
235.20575	0.7
237.18423	3.9
244.42239	0.6
247.24312	0.8
249.06174	1.3
261.25760	1.0
265.25131	0.7
268.94986	0.6
271.24185	9.5
278.01025	0.7
279.23563	0.7
289.25247	35.6
290.25616	2.1
295.26108	1.2
307.26306	100.0
308.26593	4.7
311.07639	0.6
325.27365	13.9
329.08627	1.7
343.28372	1.0
349.40848	0.6
363.84958	0.7
397.27756	1.3
428.17126	1.0
459.27008	1.0
519.29108	1.8
537.30548	2.0
555.31635	1.1
608.27826	0.9
609.28217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.4
55.05505	4.6
55.53790	2.6
66.10225	2.6
67.05498	17.3
69.07076	5.2
71.04983	4.6
71.08630	21.7
79.05506	9.1
81.03431	6.7
81.07046	15.3
83.05008	6.6
85.06541	4.0
91.05495	6.2
93.07051	10.8
95.04975	12.2
95.08629	10.2
99.04464	4.0
99.08080	20.4
105.07035	4.4
107.08599	6.1
109.10188	6.0
119.08625	5.7
121.10094	3.1
131.08586	4.6
133.10118	4.6
137.09641	9.7
149.13290	3.3
151.11185	51.2
155.10669	6.2
167.14334	3.9
170.02025	3.1
177.12805	6.2
195.13762	26.9
275.20053	9.7
293.21115	100.0
295.22726	3.4
311.21902	3.7
326.77499	3.7
335.52451	3.1
412.97256	3.1
471.63593	3.0
548.48627	3.0
613.07196	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	608.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
55.05513	14.9
62.79848	2.5
67.05502	15.7
69.05134	2.8
69.07054	6.1
69.95393	6.0
79.05482	10.1
81.07053	20.0
83.04975	4.7
83.08607	11.5
91.05480	8.5
93.07018	8.9
95.04976	37.8
95.08605	5.6
97.10162	16.2
98.23476	3.6
105.07025	3.5
107.04974	2.8
107.08581	10.6
107.33408	2.8
109.10165	6.8
111.04453	5.7
111.08100	4.8
119.08562	4.8
121.10130	7.0
125.09634	10.4
131.08559	4.5
133.10126	3.9
137.09598	2.7
145.10138	5.6
149.09622	4.9
153.09113	8.7
163.11165	11.7
163.54788	3.1
167.10593	3.2
185.08400	3.0
189.11200	11.9
191.99643	3.2
223.13382	14.1
229.19380	2.8
275.20114	13.1
277.21783	4.2
293.17966	5.4
293.21121	100.0
295.22635	4.4
313.56259	3.1
361.08929	2.9
555.44061	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	609.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95127	0.6
71.45758	0.6
83.42482	0.6
90.33858	0.6
91.05782	1.0
95.08605	0.7
105.07040	0.7
121.06498	1.0
135.08095	0.7
144.88100	0.6
148.71249	0.6
151.07590	1.1
157.79149	0.7
189.05394	0.8
267.10260	1.2
351.18573	0.8
355.06851	0.7
390.22781	1.2
412.16708	1.0
440.15768	4.8
457.16382	1.1
458.17023	0.7
563.23712	4.9
591.24084	4.0
592.07916	0.7
594.22528	1.2
609.24646	100.0
610.24896	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.29239	1.3
57.24953	1.6
67.05506	6.9
69.11465	10.6
76.15065	1.6
79.05499	6.9
81.07064	5.7
85.71317	1.8
91.05471	4.7
93.07045	5.6
95.08624	4.1
95.69843	1.5
98.23495	4.1
105.07036	3.7
107.08578	3.7
109.10126	2.3
111.77138	1.7
119.08562	3.0
121.10143	3.5
131.08563	2.9
145.10147	3.1
149.09604	1.8
151.09357	1.6
159.11652	2.7
172.12065	1.5
193.35954	1.5
200.21448	1.9
255.21483	1.6
275.20068	3.9
298.29999	1.6
307.42523	1.6
391.19226	2.8
405.20847	4.7
406.21005	1.8
407.22321	3.3
415.18781	2.0
421.24014	4.5
429.20935	3.0
430.21674	3.1
435.21698	1.9
457.24387	2.2
459.22049	2.7
460.22461	2.6
461.19815	4.5
462.20474	3.8
463.21423	3.3
475.20557	7.9
476.22125	6.3
477.23035	5.9
485.23584	13.0
486.20334	2.5
489.22882	4.3
499.21616	2.8
500.21884	2.2
503.24313	5.8
515.24225	9.9
517.22699	2.3
531.23853	18.0
549.24915	1.9
550.25708	7.2
559.23456	6.6
591.25995	28.2
609.27051	100.0
609.43732	10.8
610.27277	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	609.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01872	3.1
55.05512	10.2
57.03440	1.9
57.07087	6.5
59.05009	1.5
65.03965	1.2
67.05505	10.9
69.03426	9.8
69.06709	1.7
69.07070	23.0
71.04993	4.1
71.08630	1.9
73.04776	1.2
77.03934	0.9
77.92467	0.9
79.05494	12.4
79.15843	1.0
81.03422	6.2
81.07058	100.0
82.07410	1.5
83.05009	2.3
83.08627	7.2
85.02903	17.8
85.06535	6.6
87.00838	5.9
91.05462	6.8
93.07041	19.9
95.04965	3.0
95.08606	45.1
97.02904	5.5
97.06532	3.8
97.10166	5.2
99.04447	2.8
99.08088	3.4
105.01880	5.3
105.07027	10.0
107.08593	17.3
109.02873	4.8
109.06540	3.6
109.10162	21.0
111.08075	15.8
111.11706	3.9
113.09655	1.3
115.03932	2.8
117.07027	1.7
119.08571	8.9
121.06564	2.2
121.10161	13.2
122.71282	1.0
123.08072	1.6
123.11710	15.2
127.03916	13.3
127.07578	1.7
127.11221	1.7
131.08574	3.9
133.10129	7.3
135.11696	14.4
137.09636	4.1
137.13258	35.2
139.11201	4.3
145.04964	3.4
145.10126	3.9
147.11708	8.4
149.13274	8.7
150.09206	1.6
151.07565	1.3
151.11147	4.9
151.14845	1.9
153.12755	8.3
155.07115	1.0
155.10657	2.7
155.13132	1.8
155.14302	17.0
159.02953	1.4
159.11725	6.0
161.13237	4.4
163.11235	1.7
163.14844	3.5
165.12735	2.7
169.10162	1.3
169.12224	2.5
171.13866	1.6
173.13289	2.0
173.15419	1.7
175.06311	1.2
175.14827	2.4
176.07057	1.4
177.12764	1.8
177.16516	1.3
181.12227	4.6
183.13866	1.0
187.14873	2.1
189.16408	3.3
191.18019	2.2
201.16513	2.1
203.18063	1.3
209.19110	1.3
215.18036	2.2
219.21095	1.8
231.05066	2.4
233.19139	1.1
237.22310	1.2
245.22667	1.2
249.06114	1.3
259.08167	1.1
259.24167	1.3
262.99612	1.0
271.24219	7.9
277.25189	5.0
289.25253	25.8
295.26245	2.6
297.24274	1.4
307.26331	31.0
312.11993	1.1
315.13910	1.2
325.16263	0.9
325.27368	14.6
332.15027	2.6
333.15207	2.0
343.28516	3.0
354.13361	1.3
355.13675	3.0
358.12662	2.3
359.13184	4.1
361.11990	1.1
362.19391	1.1
365.15555	1.9
397.27124	1.1
428.17111	3.5
429.17398	17.2
447.18005	1.3
461.21240	1.3
572.90924	1.0
573.22205	1.4
591.23157	1.0
609.21301	5.4
609.30328	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	609.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.6
57.09740	3.1
59.04988	3.8
60.85477	2.5
67.05504	16.2
69.03426	10.2
69.07064	7.9
70.61132	3.4
71.04993	24.8
79.05490	8.3
81.07076	17.2
83.04955	4.7
83.08603	6.1
85.06549	4.6
91.05437	5.6
93.07034	19.0
95.04970	9.6
95.08609	17.4
97.06528	7.5
97.10114	3.7
99.08100	12.2
105.07050	13.5
107.08599	25.0
109.06522	4.0
109.10177	30.6
111.08085	17.3
113.09615	2.8
117.07006	4.2
119.08595	17.1
121.06564	2.7
121.10149	11.4
123.08037	6.3
123.11797	2.8
125.09649	33.3
127.11195	31.9
129.07066	3.0
131.08562	9.6
133.10168	15.2
135.08083	6.1
135.11719	5.8
135.61534	2.9
137.09628	4.7
138.39792	2.9
143.08565	5.0
143.10616	14.0
145.10118	16.2
145.33958	3.1
147.11668	8.4
149.09615	4.5
151.11227	3.9
155.08694	4.1
155.10675	100.0
157.10126	13.3
159.11707	10.3
163.11221	7.4
169.10162	8.4
171.11679	9.7
173.13284	8.9
175.11121	5.4
175.14847	4.3
178.87059	3.0
181.12224	3.5
183.11714	6.8
183.42580	2.8
185.11694	4.7
185.13225	4.6
191.14264	3.5
196.12318	3.1
197.13295	13.5
199.14856	4.5
209.13414	4.7
209.15356	5.7
211.14828	7.6
211.16841	6.4
223.14902	3.9
225.16312	4.0
261.18768	2.8
265.19559	3.5
283.20563	5.8
285.22189	4.9
301.21570	4.3
305.21051	4.3
338.52151	2.7
343.22720	6.7
349.25217	3.4
355.07120	5.7
357.24203	8.3
367.26236	3.7
417.31686	6.0
421.26212	3.5
435.32553	13.6
451.32581	3.0
453.33722	24.9
495.34503	8.5
513.35742	44.9
514.36139	4.2
561.28503	2.7
609.29938	20.0
613.24084	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
55.05517	11.2
67.05507	21.0
69.07056	9.9
76.05368	1.6
79.05508	16.4
81.07060	21.0
83.08632	7.6
91.05463	13.0
93.07056	18.8
95.08614	19.6
97.06508	2.0
97.10210	1.9
105.07040	14.1
107.08592	11.0
109.10155	8.4
117.07007	8.4
119.08606	13.6
121.10141	9.7
121.21176	1.8
123.11716	3.5
129.07063	5.4
131.08580	12.5
133.10130	10.5
135.11714	3.9
137.72853	1.5
140.78287	1.6
141.07037	4.9
142.07867	3.1
143.08571	12.5
145.10150	8.7
147.11713	4.9
149.13303	2.9
154.07744	2.1
155.08611	7.3
157.10117	11.7
159.11705	8.8
161.13358	2.7
167.08612	5.1
169.10117	8.8
171.11699	9.2
173.13275	5.3
175.14966	2.0
179.08537	1.9
181.10187	4.0
183.11765	12.0
185.13358	7.2
187.14885	3.3
189.16522	2.1
195.11726	5.7
197.13338	6.8
199.14952	3.3
207.11795	2.0
207.85435	1.6
209.13333	6.0
211.14920	5.3
213.16420	4.4
223.14867	6.1
225.16484	3.2
227.18010	2.8
237.16394	2.3
239.18166	2.7
253.19627	2.2
281.18817	1.5
288.89163	1.9
323.23682	1.8
351.26730	2.8
355.06851	2.4
365.28427	2.9
435.31876	1.9
517.40472	8.7
530.51440	1.8
535.41272	5.8
573.43097	2.6
591.43738	8.3
609.45209	100.0
610.45380	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.01602	0.3
50.54853	0.3
51.02381	0.4
53.03944	1.0
55.01862	1.1
55.05515	12.5
57.03440	3.1
57.07079	2.1
59.05000	0.5
65.03945	1.6
67.05508	23.2
69.07071	12.3
71.04995	1.0
71.08635	0.5
71.42737	0.4
71.43110	0.3
73.06573	0.6
77.03924	0.8
79.05499	17.3
81.07060	23.3
83.04981	0.9
83.08630	5.7
85.06565	0.8
91.05474	13.7
93.06449	0.9
93.07047	17.3
95.04978	2.0
95.08610	20.4
97.06527	1.6
97.10164	3.5
99.08105	0.8
105.04525	0.9
105.07035	14.5
107.08595	11.1
107.74189	0.3
109.06484	0.8
109.10160	8.5
111.08101	1.4
111.11772	0.5
115.05451	1.3
116.06277	0.3
117.06185	0.4
117.07021	8.1
117.07789	0.5
119.08585	13.1
121.06424	0.4
121.10149	6.6
121.13894	0.3
123.08028	0.8
123.11722	3.2
125.09623	1.6
128.06229	2.8
129.07011	10.1
129.07977	0.5
130.07843	0.4
131.08568	13.7
133.10133	9.9
133.22543	0.4
135.08076	0.3
135.11684	4.8
137.09616	0.5
137.13298	1.0
139.11221	0.6
141.06982	5.0
142.07813	2.6
143.07433	0.9
143.08565	13.6
144.09299	1.0
145.08972	0.7
145.10130	14.1
146.52835	0.3
147.11682	6.8
149.09686	0.5
149.13252	2.1
153.07021	1.3
153.12697	0.5
154.07806	1.5
155.08556	12.0
155.09779	0.7
156.09355	1.7
157.10135	14.1
158.10835	0.4
159.11700	9.5
159.12941	0.7
161.13280	3.7
163.14902	0.8
165.07074	0.9
166.07803	0.9
166.42220	0.3
167.08582	4.7
168.09364	1.4
169.10141	14.3
170.10878	1.1
171.11700	12.0
173.13271	6.1
175.14783	2.1
177.12840	0.4
177.16414	0.4
178.07846	0.6
179.08557	1.7
180.09415	0.9
181.10127	7.6
182.10905	1.4
183.11690	13.0
184.12369	0.6
185.13251	9.0
187.14813	3.9
189.16464	1.2
191.62239	0.3
192.09341	0.7
193.10165	2.8
194.10905	0.7
195.11699	9.4
196.12427	1.2
197.13251	11.2
198.13930	0.5
199.13231	0.3
199.14851	5.4
201.12823	0.3
201.16470	1.5
203.18002	0.4
205.10172	0.8
206.11040	0.4
207.11708	3.0
208.12395	0.5
209.13264	8.5
209.15208	0.5
210.13925	0.9
211.14816	7.6
213.12843	0.4
213.14690	0.5
213.16418	3.7
215.18031	1.2
219.11763	1.0
219.17470	0.4
221.13281	2.6
222.14098	0.5
223.14835	4.8
224.15698	0.5
225.16389	5.3
227.14395	0.5
227.18051	1.9
229.15997	0.4
229.19539	0.7
231.17458	0.5
233.13264	1.2
233.19041	0.4
235.14810	2.6
236.15707	0.4
237.16385	3.7
239.17975	2.2
241.17751	0.7
241.19662	1.2
247.14954	0.8
249.16298	1.6
251.17961	1.9
253.19693	2.3
255.21069	1.1
257.19031	1.0
259.20651	0.6
261.16357	0.5
263.17920	0.8
265.19531	1.5
267.21249	0.8
269.18994	0.5
271.20654	0.5
275.17761	0.4
275.20361	0.4
277.19550	0.7
279.17465	0.4
279.21100	0.8
281.18933	0.4
283.20587	0.7
285.22171	0.8
287.23874	0.3
291.20889	0.7
293.19135	0.6
293.22540	0.5
295.20587	0.7
295.24146	0.4
297.18866	0.4
297.21964	0.7
299.20267	0.5
299.23715	0.6
305.22583	0.5
307.20602	0.9
307.24069	0.5
309.21927	0.5
311.20157	0.9
311.23624	0.9
313.21710	0.9
321.22195	1.2
321.83841	0.4
323.23605	1.6
325.25323	0.5
327.23245	0.8
333.22018	0.7
335.23761	1.2
337.21707	0.6
337.25082	1.6
339.23349	0.5
339.26932	0.6
341.24957	0.8
349.25266	1.1
351.27005	1.6
353.24686	0.9
355.07040	0.5
355.26224	0.4
361.25046	0.5
363.26990	1.0
365.24445	0.4
365.28528	1.6
367.25961	0.7
369.28091	0.4
377.28506	0.8
379.30093	0.9
381.28091	0.6
391.30081	1.0
393.31747	0.9
405.31696	0.8
407.29080	0.8
409.31073	0.8
417.31409	0.7
421.30862	0.8
425.30463	0.4
429.31534	0.6
435.33090	0.5
447.32217	1.4
449.34183	0.7
459.31241	0.4
461.34116	0.8
465.33548	0.6
475.35229	0.5
487.34464	0.5
499.39801	1.6
501.35968	0.6
503.35959	0.4
513.36194	0.7
513.45007	0.4
515.37994	0.6
517.40411	8.7
518.40698	0.6
521.36194	0.4
525.35785	0.5
535.41589	5.4
539.37518	1.6
541.38708	0.9
553.42682	1.0
555.42261	0.5
567.40234	0.4
573.43024	1.6
588.35248	0.4
591.44147	10.8
592.44128	0.7
609.45135	100.0
610.45435	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	610.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.3
60.29480	2.6
67.05502	25.6
69.07069	7.8
69.36776	6.8
70.06578	4.0
73.04758	9.9
76.17903	2.1
79.05497	26.5
81.07059	29.1
83.04973	3.4
83.08598	5.9
91.05487	20.8
91.05891	3.9
93.07035	25.1
95.04967	4.1
95.08605	21.6
97.02798	2.1
97.06551	8.9
98.22629	2.5
99.08101	5.0
105.07025	14.0
107.08596	20.5
109.10144	10.3
111.08113	3.8
117.07001	8.6
119.08610	16.8
121.06523	4.6
121.10152	27.6
123.08060	7.9
125.09662	2.8
128.06253	2.3
129.06981	5.2
131.08554	28.9
133.06488	3.2
133.10092	15.8
135.08069	7.1
135.11681	15.1
137.09625	8.2
138.59425	2.0
140.14453	2.6
143.08556	2.9
145.10123	13.3
147.08070	9.5
147.11684	16.8
149.09650	5.8
149.13252	4.4
151.11153	3.9
155.07095	3.3
157.10103	6.5
159.11700	8.3
161.09630	8.2
161.13251	5.4
163.11064	2.7
167.05515	5.2
169.10123	3.4
171.11740	12.5
173.13245	6.0
175.11115	5.5
189.12640	2.8
195.11668	4.6
209.13249	2.7
213.16338	10.9
227.17894	3.9
231.17462	6.0
237.16519	5.7
239.09494	5.5
245.19160	3.5
247.20599	6.6
249.18529	28.8
255.17409	15.1
263.20084	5.4
265.21542	12.3
267.19531	4.2
268.97687	3.4
273.18491	58.2
276.15814	2.7
285.00977	5.1
291.19537	97.5
292.19843	4.3
299.06406	3.8
309.20584	100.0
309.24185	5.3
310.20969	4.2
327.21527	9.6
344.97800	2.9
355.06961	18.4
388.09412	2.7
418.99667	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	610.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01862	3.5
55.05504	2.1
57.03440	3.0
57.07079	2.5
61.02944	6.5
66.42345	0.9
67.05508	8.2
69.03430	23.6
69.07073	6.4
69.62532	3.1
70.47874	1.1
71.04987	3.1
73.02917	6.3
73.04765	2.3
79.05494	13.5
81.03427	10.7
81.07059	100.0
82.07393	1.6
83.08618	1.7
85.02907	72.4
87.04468	19.2
91.03964	3.9
91.05829	2.5
93.07063	2.5
95.04974	2.3
95.08610	20.1
96.08946	1.3
97.02896	28.7
98.23552	1.0
99.04472	4.3
103.03965	1.1
105.07040	1.5
107.04987	0.9
107.08600	2.9
108.08130	1.3
109.02876	10.1
109.10153	3.2
110.09690	2.2
115.03932	85.7
116.04278	1.1
121.06583	1.1
122.06116	1.0
123.11695	1.5
127.03918	46.1
133.04971	43.9
136.07539	1.9
137.13252	19.4
138.09119	2.4
145.04964	52.3
145.10129	2.2
149.13225	1.0
156.48862	0.9
163.06029	10.4
166.08641	1.5
167.05515	1.2
173.09677	1.2
181.07066	1.3
190.05035	1.7
221.03430	1.0
227.11771	1.2
233.11847	2.1
236.26166	1.0
241.07053	7.4
259.08109	14.1
273.25681	1.0
277.09195	57.8
285.00995	1.7
286.49216	1.3
309.27771	1.1
325.11682	1.8
355.07059	2.8
398.14877	1.9
399.15790	1.6
446.16925	2.3
458.16931	3.9
567.30560	1.1
593.22931	1.5
610.28986	7.1
611.23065	5.5
633.55072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
55.05507	4.3
57.03426	3.3
57.07075	79.4
62.35369	2.7
67.05504	20.3
69.03422	5.8
69.07062	9.8
71.04987	5.1
71.08624	4.8
73.04771	8.1
79.05492	9.0
81.03411	8.6
81.07060	15.8
83.08614	8.3
85.02908	9.4
85.06564	3.6
86.73327	2.5
87.00826	3.4
91.05788	14.3
93.07040	16.9
95.04972	5.4
95.08603	30.0
97.02907	5.3
97.06532	5.5
97.10158	6.8
99.04449	4.2
99.11737	11.7
99.97639	2.7
105.01874	3.5
105.07026	4.2
107.08589	7.7
109.02907	3.8
109.10154	14.3
109.40771	2.8
111.11717	5.3
119.08606	20.7
121.10132	16.8
122.06016	6.1
123.08053	7.6
123.11694	5.2
123.78284	4.8
127.03904	8.4
127.11181	6.0
135.11653	4.5
137.09625	16.2
137.13304	2.8
138.97984	2.9
145.10042	3.1
145.12193	3.4
147.08060	4.8
149.09518	4.2
149.13229	4.0
150.05501	10.5
155.10600	3.2
165.09140	6.2
167.06088	4.1
168.06505	3.3
181.36034	2.7
195.40157	2.9
201.11194	5.0
202.57948	3.4
219.21048	11.5
237.22124	6.5
239.09520	6.8
239.23746	4.4
241.21584	12.3
265.21625	57.5
266.21909	4.2
268.97629	4.7
283.22665	89.0
284.23126	3.4
285.00970	6.8
291.26910	2.8
299.06119	5.3
301.23724	100.0
332.99042	2.9
355.06955	17.5
409.86252	2.8
446.87979	3.0
475.26801	3.3
510.63135	3.1
515.52429	3.1
610.27466	4.3
610.42145	4.4
611.30328	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	610.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01870	2.8
55.05281	1.4
55.05514	9.4
57.03424	3.2
57.07077	9.5
58.93358	1.0
61.02921	2.0
67.05508	15.0
69.03432	8.3
69.06707	1.5
69.07068	20.9
69.23569	5.6
71.04984	3.7
71.08631	39.1
73.02914	2.2
73.04745	3.0
79.05490	9.0
81.03418	7.4
81.07056	34.7
82.07374	1.1
83.04971	1.5
83.08615	12.1
85.02905	19.2
85.06529	6.0
87.00835	5.8
87.04462	1.4
91.03967	1.5
91.05479	5.8
93.07042	16.9
95.04949	2.8
95.08610	30.6
96.08955	1.1
97.02890	8.2
97.06536	8.0
97.10178	9.4
99.04443	2.1
99.08093	41.8
99.11744	0.9
105.01861	2.6
105.07020	7.1
107.08588	14.0
109.02863	6.0
109.06516	2.5
109.10158	19.5
111.08093	3.8
111.11715	2.9
113.09602	1.1
113.46547	1.1
115.03931	8.3
117.07019	1.9
118.00256	0.9
119.08580	19.2
121.06498	1.5
121.10148	13.0
123.08053	2.3
123.11735	5.6
125.13221	1.2
127.03922	10.7
127.11189	1.7
129.01833	1.2
131.08534	3.2
133.04961	3.9
133.06506	1.2
133.10146	4.9
135.04445	1.2
135.08063	3.2
135.11690	7.4
137.09607	10.1
137.13257	5.3
139.07536	1.0
145.04941	8.2
145.10077	3.6
147.11659	7.4
149.09630	1.9
149.13251	14.9
151.14847	5.4
151.40376	1.0
153.12753	3.2
155.14342	1.3
156.13852	1.2
158.84058	1.0
159.11670	1.2
161.06010	2.4
161.13327	1.3
163.06036	1.5
163.11163	1.9
163.14836	6.8
165.09032	1.0
165.12793	2.1
166.08627	1.5
167.14345	4.5
169.16051	1.1
173.13347	1.7
175.14771	5.3
177.12689	1.6
177.16356	1.3
181.12236	1.0
190.05003	1.1
193.08586	1.3
193.15871	4.2
203.17964	1.5
205.19432	2.8
219.21097	12.7
221.22679	1.5
229.19553	7.1
237.22125	6.5
239.09325	1.7
239.23697	12.5
241.21628	13.8
247.20566	11.7
259.08127	1.1
265.21631	47.4
266.22009	2.6
268.97760	1.3
273.25690	2.1
277.09286	5.1
283.22668	92.5
284.23001	5.3
285.00903	2.3
291.26837	11.0
299.05991	1.2
301.23718	100.0
302.24069	4.3
309.24384	1.6
309.27856	3.9
327.25201	2.0
345.26346	4.3
355.07065	3.7
458.17087	2.3
497.80524	1.0
610.28369	3.8
610.48840	2.1
611.31219	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	610.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
54.42625	1.3
55.01871	3.3
55.05515	8.9
57.03442	2.3
57.07074	9.4
61.02932	1.6
63.40946	1.3
64.38083	1.2
67.05505	17.8
68.80632	1.3
69.03428	8.1
69.07070	16.9
69.32578	7.5
71.04992	6.0
71.08630	44.1
73.04771	3.0
79.05478	9.4
81.03407	9.8
81.07056	25.5
82.30865	1.3
83.04974	3.2
83.08613	10.8
85.02914	14.5
85.06546	6.0
87.00835	5.9
91.05468	7.3
91.05903	3.6
93.07059	15.2
95.04982	3.9
95.08611	24.9
97.02891	6.7
97.06546	6.3
97.10161	11.5
99.04453	3.7
99.08093	46.4
105.01878	4.9
105.07031	7.9
107.04977	1.9
107.08596	13.6
109.02897	4.2
109.06494	3.1
109.10149	18.5
111.08080	2.6
111.11731	3.8
119.08582	25.1
121.06491	1.6
121.10133	13.1
123.08097	4.4
123.11698	4.8
125.09637	2.2
127.03904	8.6
127.11202	2.6
131.08562	4.5
133.06711	2.0
133.10107	6.3
135.08032	3.6
135.11707	7.9
137.09601	9.6
137.13251	2.9
141.09073	1.8
145.04922	1.7
145.10159	3.2
147.11700	4.4
149.09615	3.5
149.13248	12.9
151.11134	2.0
151.14827	5.5
151.65810	1.2
153.12733	4.3
155.14371	1.6
159.02911	2.1
159.11610	1.9
163.11186	2.8
163.14787	7.7
163.84288	1.5
165.12750	3.4
165.16333	1.4
167.05536	2.2
167.14308	3.3
173.09729	1.6
173.13342	1.5
175.14806	8.1
187.14932	2.5
193.15895	6.1
205.19490	1.8
211.16989	2.1
219.21089	12.3
229.19580	6.2
231.04846	1.7
237.22169	5.8
239.09566	3.7
239.23695	14.0
241.21667	14.6
247.20634	10.7
265.21625	52.7
267.15894	2.7
283.22672	100.0
284.23062	4.1
285.00928	3.1
299.06064	2.4
301.23709	99.6
302.24301	2.2
309.27847	1.5
327.25192	3.0
327.29019	1.5
344.28036	1.9
345.26514	2.7
355.07211	7.7
396.28296	1.4
475.26831	3.5
493.27856	2.8
507.29001	1.5
610.27399	1.9
611.30902	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	610.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.3
55.01873	4.8
55.05506	22.5
57.03430	8.2
57.07066	13.5
59.04997	6.2
61.02923	5.8
67.05509	31.5
69.03426	38.8
69.07067	50.6
71.04993	14.8
71.08647	6.2
71.97172	3.2
73.04762	12.2
73.06559	3.7
79.05492	14.3
81.03419	14.7
81.07060	80.8
82.07405	5.3
83.04985	8.0
83.08627	30.1
85.02905	36.6
85.06527	5.9
87.00829	11.0
87.04469	12.0
87.23569	4.6
89.06017	10.1
91.05791	13.8
93.07036	35.6
95.08609	100.0
97.02901	45.0
97.06533	12.9
97.10175	15.7
99.04462	10.0
105.01867	11.2
105.07024	16.9
107.08595	40.9
107.90338	3.3
109.02896	11.9
109.10164	44.9
111.08061	20.4
111.11725	10.2
113.09650	4.7
115.03903	19.2
119.08589	13.7
121.10128	23.4
123.11702	35.0
125.09682	4.2
125.13335	4.2
127.03910	33.8
133.04942	12.5
133.10152	11.8
135.11659	18.3
137.09601	3.8
137.13248	15.7
145.04962	26.5
145.10117	4.9
147.11694	10.8
149.13234	29.1
150.07573	3.9
151.14874	5.1
161.09590	4.1
161.13312	4.8
163.14822	10.7
165.16411	7.3
167.05548	7.9
177.16353	5.6
189.16374	6.5
191.17906	4.4
217.19475	6.8
231.04889	6.3
239.09572	6.9
261.25882	5.9
268.97675	5.8
273.25763	20.7
279.26825	21.4
281.24780	7.7
282.97992	3.9
285.00851	4.4
285.10086	5.4
291.23297	8.8
291.26797	69.5
297.27914	5.2
299.06146	4.1
309.24188	14.6
309.27789	80.4
326.27145	5.3
327.25281	19.6
327.28928	26.8
344.28091	7.8
355.06915	16.6
381.22595	3.9
477.48877	4.4
610.28174	8.3
631.68378	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	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01875	0.4
57.03432	2.0
61.02921	0.8
64.59354	0.3
65.03947	0.4
69.03430	0.8
70.03094	0.5
71.04993	10.1
73.02892	0.5
81.03416	0.8
83.04966	0.5
85.02906	15.2
95.04991	0.4
97.02878	1.1
105.01455	0.3
109.02878	0.7
111.00808	0.7
121.02859	0.5
127.03907	0.8
129.05461	3.6
137.02341	2.2
145.04921	0.6
147.06503	1.1
147.71234	0.4
149.02316	0.4
153.01817	2.7
161.05925	0.4
163.03828	0.6
165.01851	1.4
183.02892	0.6
201.05452	0.8
229.05029	2.9
247.06024	0.6
257.04480	2.0
274.04684	0.7
285.03979	1.1
303.04974	100.0
304.05347	3.1
453.93784	0.4
465.10477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
54.03421	0.1
57.03441	1.9
61.02926	2.1
61.21430	0.1
65.03937	0.1
68.99793	0.4
69.03426	0.6
71.01362	0.2
71.04993	9.7
73.02912	0.9
75.04475	0.6
81.03403	0.5
83.04964	0.6
85.02906	13.4
87.04472	0.3
91.03938	1.0
95.04954	0.4
97.02892	1.5
98.23467	0.2
99.04451	0.2
101.06055	0.2
108.42999	0.2
109.02888	0.6
111.00782	0.7
111.04449	0.4
115.03915	0.4
116.53376	0.1
121.02890	1.0
123.04436	0.2
127.03915	0.8
129.05484	3.1
135.04384	0.2
136.37476	0.2
137.02339	2.5
145.04965	0.7
145.06183	0.1
147.06509	1.0
149.02327	0.3
153.01825	2.5
155.04852	0.2
161.05980	0.2
163.03882	0.5
165.01828	1.9
165.54837	0.2
173.05907	0.2
183.02863	0.5
187.03947	0.3
191.03436	0.2
195.02953	0.3
201.05452	1.4
205.04897	0.2
208.13257	0.1
219.02780	0.2
219.06450	0.2
228.04204	0.2
229.04976	3.7
233.04457	0.2
247.05984	0.5
257.04422	2.1
274.04788	0.5
275.05417	0.3
285.03940	1.2
303.04980	100.0
304.05334	3.0
315.05093	0.2
345.06253	0.3
363.15503	0.4
449.10703	0.3
465.10147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2046
Annotation	Atalanine
Peak:m/z	Relative Intensity
67.05496	1.9
68.22637	1.6
69.93192	2.3
69.93517	3.6
70.06554	1.6
73.04769	2.8
91.05800	4.6
98.22672	1.9
114.52398	1.8
121.06497	2.2
137.05989	1.6
142.32840	1.7
280.26276	2.7
286.00998	2.1
343.46039	1.6
347.13016	1.8
355.06757	2.0
356.07257	3.2
518.09601	2.1
611.20502	100.0
612.20807	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	611.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05519	0.3
69.03409	0.4
69.40253	0.5
69.40659	0.8
70.06576	0.5
84.08142	0.6
84.18575	0.2
105.06998	0.3
110.09700	0.5
120.08108	0.7
120.15200	0.3
122.09649	0.5
136.11214	3.0
148.11174	0.6
149.11980	0.3
162.12781	2.9
163.13460	0.4
174.09117	0.3
174.12749	0.5
176.14293	0.3
182.11728	0.5
188.10628	0.3
194.11742	0.4
202.15767	0.4
204.13820	0.3
210.14925	0.3
216.13887	0.6
222.14857	0.5
230.15370	0.5
248.16460	26.4
249.16882	1.0
276.19547	0.3
290.17474	4.1
294.20679	0.3
304.19104	1.0
322.20117	100.0
323.20526	4.1
350.14230	0.3
450.20837	0.3
611.35431	0.4
612.26044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07514	2.6
51.30316	2.6
54.26286	2.8
55.05518	14.4
57.03431	4.5
67.05499	29.4
68.21881	2.9
69.07072	12.6
69.95954	6.3
71.04988	3.3
79.05500	12.5
81.07050	28.1
83.08619	7.9
91.05422	14.3
93.07028	20.4
95.05003	3.1
95.08615	25.7
97.06545	3.9
97.10196	4.4
102.03409	2.7
105.07061	16.5
107.08614	12.2
109.10181	12.7
115.53841	3.2
117.07053	8.9
119.08546	14.2
121.10163	11.9
129.07001	7.9
131.08571	17.9
133.10155	11.3
135.11726	5.1
143.08601	8.1
145.10124	21.6
147.11685	8.0
149.13306	4.1
155.08601	8.3
157.10146	13.6
159.11739	13.5
169.10185	8.8
171.11714	12.6
173.13297	6.8
181.10168	5.9
183.11748	9.6
185.06123	3.7
185.13341	9.3
187.14796	4.0
195.11702	5.0
197.13354	7.7
199.14931	5.4
211.14859	4.8
213.16479	8.5
225.16278	5.6
227.18024	4.5
229.19601	3.8
265.19595	3.7
297.22360	3.1
513.35522	4.9
519.42310	8.8
537.43878	4.1
593.45837	8.6
611.46741	100.0
612.47253	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76079	9.6
52.50798	9.8
55.05508	19.0
57.62560	10.1
61.78968	10.1
67.05511	59.9
69.07050	15.2
70.84823	20.6
79.05489	41.5
81.07059	65.1
83.08597	21.3
91.05482	34.8
93.07039	42.2
95.08601	34.4
105.07029	42.5
107.08593	16.8
109.10155	14.5
119.08567	36.0
121.10109	27.8
129.06967	11.9
130.68524	11.1
131.08566	23.7
133.10158	18.1
143.08589	13.1
145.10095	27.1
147.11641	21.9
159.11638	16.6
199.14923	16.0
241.19643	13.0
259.20624	14.5
322.39703	13.2
335.25851	26.7
497.21588	11.3
611.46722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01865	1.0
55.05505	1.5
57.03436	0.8
61.02924	1.4
67.34663	0.3
69.03436	4.6
69.09133	2.0
72.08224	0.3
73.02899	0.4
79.05530	0.5
80.38196	0.3
81.03419	1.1
81.07056	0.7
82.06570	0.4
83.04988	2.2
83.08624	0.4
84.04483	0.8
85.02910	14.0
87.04459	0.6
91.03973	0.6
97.02898	4.5
97.06533	0.6
97.10141	0.6
99.04450	0.7
107.08613	0.5
109.02882	1.2
120.08115	0.9
121.06523	0.7
125.05992	1.5
125.08707	0.5
125.09634	9.4
127.03926	2.4
132.08139	0.4
136.07533	0.5
145.04980	5.5
148.07541	0.9
153.09129	6.5
154.09503	0.4
155.08513	0.4
160.07585	0.3
163.06044	2.0
163.07277	0.4
164.07089	0.7
166.08629	1.2
166.25499	0.3
167.08588	0.8
171.10196	1.5
178.07761	0.8
182.08083	0.8
190.12273	1.4
193.10147	3.7
195.08069	1.0
196.08841	1.8
202.12341	0.4
205.57948	0.3
206.07327	0.6
210.10384	1.5
211.11203	5.8
213.09280	0.5
218.11740	0.4
219.12468	0.4
221.09631	2.3
222.10402	1.1
223.07567	0.6
223.11176	0.5
224.08371	3.4
225.09055	1.1
225.12733	4.9
228.11461	0.5
233.17299	0.4
236.12761	0.6
238.09859	3.2
239.10678	17.0
240.11456	7.8
241.08630	1.7
242.15440	0.9
243.13782	1.0
244.17119	0.6
253.12268	7.9
254.14032	2.2
255.10152	0.8
256.10944	10.2
257.11310	0.5
265.08884	0.4
270.14917	2.5
271.13300	100.0
272.13687	4.3
272.16373	0.7
281.11798	3.3
288.15924	1.1
295.13312	0.8
298.14304	0.8
316.15366	1.9
318.84183	0.4
334.16406	0.8
352.17599	2.6
416.61780	0.3
433.18619	7.0
434.19241	0.6
514.22845	20.3
515.23077	1.3
612.26501	0.9
621.87457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65435	0.6
53.03943	1.3
55.01868	2.3
57.03427	0.9
58.87633	0.7
61.02917	1.5
65.12999	0.7
69.03424	7.2
69.19893	1.5
69.20307	3.2
71.05003	1.1
72.36813	0.7
73.02907	1.8
75.22729	0.7
79.05493	1.5
81.03418	5.5
81.07038	2.4
85.02898	16.4
87.00826	8.8
91.05430	1.3
91.05866	1.1
93.07066	1.7
95.08594	1.6
97.02895	6.6
99.04452	3.3
105.01866	4.6
105.07049	3.6
107.08591	1.0
109.02866	6.8
117.01862	1.6
119.08559	1.6
127.03907	10.3
129.01860	1.2
129.07011	2.7
131.08568	3.5
133.10213	0.9
141.06967	2.3
143.08562	4.4
145.04939	4.0
145.10074	3.4
153.06937	0.8
155.04936	1.0
155.08559	5.1
157.10088	3.2
159.02867	2.8
159.08064	0.8
161.09703	0.6
165.06871	0.9
166.07719	1.0
167.08499	1.0
169.06447	0.9
169.10150	3.7
171.11632	3.8
180.09383	1.2
181.10100	9.9
182.10686	1.3
183.11679	9.1
185.13298	1.2
189.09084	1.0
193.10213	0.7
195.11671	7.8
197.13268	4.0
199.11157	2.8
199.14801	2.3
209.09697	1.5
213.12755	2.8
213.16315	4.1
223.11281	1.9
223.14799	26.0
224.14983	0.8
225.12814	1.0
225.14272	1.3
225.16367	22.2
226.16766	0.9
227.10698	2.0
231.05009	2.1
241.12302	4.0
241.15848	35.3
242.16280	1.7
243.13754	1.8
251.14307	9.5
269.15329	78.8
270.15747	4.0
283.16910	18.5
287.16400	27.0
288.16754	1.6
297.14954	2.5
301.17999	3.4
315.15869	100.0
316.16193	3.8
329.17429	28.2
329.21378	1.4
330.17786	1.1
347.18530	7.3
499.19342	0.9
509.18204	0.8
517.20209	1.1
527.19250	1.4
536.06805	0.9
577.22083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09509	1.4
53.56317	1.5
54.47226	1.4
55.01868	8.0
55.05516	25.2
55.42232	1.7
57.03442	8.7
57.07072	3.6
58.06605	2.5
58.81962	1.5
59.05003	3.9
59.19565	1.4
60.25075	1.5
63.97763	1.4
65.98517	1.5
67.05511	40.8
69.03417	2.9
69.07077	12.5
69.58787	2.3
69.59177	4.5
70.06588	11.8
71.04996	5.6
71.08642	8.1
72.04508	6.5
73.04770	2.1
79.02431	1.3
79.05498	45.4
80.05801	1.8
81.03423	14.8
81.07063	47.0
83.01340	6.2
83.04981	15.2
83.08619	13.6
85.02909	5.5
85.06557	2.7
91.05463	26.9
93.07049	47.5
94.94281	1.8
95.04976	18.0
95.08611	21.7
97.02888	1.6
97.06536	11.7
97.10168	3.6
99.04459	3.4
99.08108	6.4
100.11263	39.4
100.60096	1.5
105.04556	3.0
105.07030	20.2
106.07307	2.1
107.04958	8.3
107.08600	28.8
109.06493	8.4
109.10171	6.2
111.04446	3.5
111.08038	4.2
117.07030	10.1
119.08589	12.4
120.08089	2.0
121.06478	2.4
121.10141	14.5
123.08063	7.7
125.09583	2.7
128.10709	21.6
129.07011	4.6
131.07640	1.5
131.08540	8.3
133.10127	10.4
135.08089	3.4
135.11707	10.7
137.09604	2.0
139.11217	2.4
143.08623	2.0
145.10094	14.6
147.08075	2.2
147.11710	3.9
149.09560	2.4
149.13280	7.8
151.11203	6.5
153.12769	2.9
156.10237	8.6
157.10176	2.6
159.11681	6.0
161.13287	3.9
163.11186	15.3
171.11679	2.4
172.11223	1.8
173.09598	3.5
175.14873	1.6
177.12813	1.9
179.14381	2.0
181.08495	1.5
181.12279	3.0
191.10735	2.0
193.12230	1.6
195.13795	3.2
197.13368	1.5
207.90730	1.8
209.11763	5.3
225.16022	2.0
227.12787	7.6
241.19279	1.9
259.13205	1.9
259.20688	2.7
269.17471	8.4
275.17648	2.3
277.21609	10.2
283.15402	36.3
285.16837	3.1
293.21109	5.4
335.25916	2.0
338.24408	10.9
341.18369	3.1
351.25293	15.9
353.94196	1.6
381.22754	3.0
388.21533	2.1
459.27313	2.4
477.28510	100.0
478.28629	6.6
499.32547	3.7
515.35779	1.9
559.36481	10.8
577.37378	2.2
612.41339	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	612.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.1
55.01874	9.8
55.05511	45.3
57.03444	21.2
57.07078	4.9
63.84284	3.9
65.03944	5.9
65.79599	3.5
67.05506	76.6
69.03442	9.2
69.07067	34.9
69.09000	7.1
69.09407	20.8
71.05011	8.6
73.04764	5.7
78.45256	3.5
79.05500	80.9
81.03423	67.1
81.07061	100.0
82.05017	3.6
83.04988	29.1
83.08612	33.8
85.02898	21.4
85.06521	4.5
88.07631	5.1
91.05474	99.1
91.05976	5.7
93.07053	72.8
95.04984	35.5
95.08605	39.2
95.37059	4.0
97.06543	19.6
97.10189	14.0
98.22687	6.8
99.08080	4.0
102.09206	5.1
105.07043	60.7
107.04967	14.5
107.08590	39.0
109.06539	13.0
109.10169	13.0
111.08099	19.7
117.07021	22.1
119.08589	46.9
121.06528	6.5
121.10139	22.7
123.08068	7.4
125.09629	13.4
129.06992	17.8
131.08565	31.5
133.10130	37.7
135.08052	7.5
135.11681	17.6
143.08585	4.8
145.10130	22.1
147.04387	7.8
147.08076	5.8
147.11679	28.8
149.02391	4.1
149.09586	27.1
149.13249	6.1
151.11150	5.0
157.10143	22.3
159.11699	11.1
163.11191	14.5
165.12804	4.8
169.10100	6.0
171.11624	4.7
173.13295	8.4
175.11211	18.0
180.59593	3.9
183.11676	4.3
191.07076	12.9
193.12219	49.7
195.13780	4.5
211.13297	66.4
212.13628	4.2
227.12746	18.5
255.15904	8.1
256.26260	8.7
257.18991	12.2
267.15823	25.3
269.17505	14.5
275.20068	40.2
285.17001	47.6
291.37027	4.1
328.24469	4.3
349.23761	28.2
357.06479	6.2
383.11411	6.6
447.27457	7.6
461.28940	17.3
465.28455	10.6
479.30151	54.4
541.35065	12.0
559.36133	21.7
577.37079	4.4
582.17584	4.9
612.35089	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35991	2.9
55.05499	9.6
57.03431	12.4
66.64156	2.8
67.05508	51.3
69.07068	10.5
69.14571	11.9
69.14975	7.3
72.54713	2.9
79.05492	32.5
79.62727	2.7
81.03419	60.7
81.06620	4.7
81.07062	48.0
83.04982	6.7
83.08607	18.5
88.36842	3.1
91.05468	27.8
93.07045	30.8
95.04977	24.9
95.08618	30.1
97.10184	7.6
105.07040	20.4
107.04951	5.3
107.08584	14.4
109.10153	15.1
117.07024	7.3
119.08594	17.1
119.15604	2.9
120.61850	3.0
121.10170	15.9
123.08067	3.6
123.11705	6.6
125.09654	3.9
129.07037	5.2
131.08586	11.4
133.02859	7.7
133.10121	10.6
134.03241	3.8
135.11716	13.5
145.10120	6.7
147.11684	9.5
149.13162	6.3
157.10146	7.6
159.11630	4.6
161.13277	3.5
173.13361	5.2
175.11211	6.7
189.09085	30.2
190.09418	12.8
193.12256	21.7
213.67900	3.1
227.12807	4.6
243.21198	6.5
249.14673	3.4
261.22052	14.6
267.15930	100.0
301.25262	5.5
308.68649	3.4
317.24857	3.1
335.25821	96.1
435.32294	6.4
453.33493	7.1
527.30292	4.5
527.37366	52.3
545.38318	20.9
612.46747	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13729	0.9
53.03947	2.3
55.05516	10.2
57.03443	8.5
65.03923	1.5
67.05161	2.3
67.05508	36.8
69.03439	1.1
69.07073	9.4
71.05010	2.4
76.80965	1.1
79.05497	27.0
79.73898	1.2
80.52292	0.9
81.03417	51.7
81.07059	31.7
83.04969	3.1
83.08615	12.7
85.06564	2.5
91.05486	19.3
92.76970	1.1
93.07042	26.7
95.04974	15.2
95.08607	24.6
95.09211	1.2
97.06534	2.6
97.10146	4.0
98.83256	1.0
105.04524	1.3
105.07040	15.4
107.04954	3.7
107.08611	15.7
109.06531	3.0
109.10177	13.4
110.62002	1.1
111.08079	4.3
115.05462	1.2
117.07014	4.6
119.08581	13.3
121.06474	1.6
121.10156	15.5
123.08085	2.2
123.11700	4.6
125.09623	4.4
129.06993	5.6
131.08560	10.8
132.66135	1.0
133.06503	1.5
133.10130	8.4
135.11682	7.4
142.07837	1.6
143.08505	2.1
145.10127	5.8
147.08028	1.8
147.11676	8.7
149.09630	4.4
149.13261	5.7
157.10098	5.8
159.11696	5.6
161.13271	3.2
163.11147	1.1
163.14819	3.2
165.12730	1.6
171.11772	1.3
173.13240	4.5
175.11194	4.7
183.70457	1.2
185.13235	1.2
187.14816	2.7
189.11142	2.0
193.12201	17.0
196.95232	1.0
211.13206	2.2
227.12839	6.2
243.21132	4.4
249.14920	3.1
261.22113	16.8
267.15918	100.0
268.16229	2.8
279.23352	1.2
285.22150	1.4
301.25351	6.2
303.23108	1.2
317.24796	4.0
333.24353	1.2
335.25797	92.7
336.26132	3.6
421.26208	1.5
435.32523	4.6
453.33679	6.4
471.34927	2.9
509.36075	2.6
527.37335	58.8
528.37415	2.9
545.38416	28.2
546.38715	2.2
559.39014	1.7
567.45282	1.2
612.47174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06867	1.6
52.90704	1.5
53.03944	6.0
55.01874	3.0
55.05513	22.9
56.63038	1.5
57.03437	24.1
57.07076	2.3
65.03952	3.8
67.05509	61.8
69.03424	2.6
69.07070	15.7
71.05003	5.2
74.31260	1.7
79.05496	48.9
79.05952	2.9
81.03420	97.7
81.07060	64.3
81.07558	1.9
83.05007	3.8
83.08617	22.4
85.06541	2.8
86.12511	1.6
91.05479	39.2
93.07050	52.3
95.04970	29.2
95.08607	36.1
97.02877	2.0
97.06552	3.1
97.10172	8.5
98.22719	5.7
105.04528	3.7
105.07037	32.2
107.04971	7.1
107.08599	29.4
109.06546	4.7
109.10178	22.3
111.08100	7.0
117.07018	6.1
119.08584	22.0
121.06521	5.0
121.10149	22.3
123.08074	2.2
123.11687	6.0
125.09668	3.3
129.07022	12.9
131.08556	18.1
131.09445	1.8
133.06555	2.2
133.10138	15.4
135.08058	2.5
135.11688	9.4
137.09587	2.5
142.07799	3.1
143.08588	3.8
145.10101	14.5
147.08070	3.2
147.11671	13.3
149.09624	5.4
149.13260	4.7
151.93735	1.8
157.10080	12.2
159.11684	6.8
161.13234	3.7
163.14786	2.4
165.12727	3.0
173.13280	5.6
175.11182	9.5
183.11656	2.2
185.13277	2.6
186.84061	1.6
187.14825	3.3
189.11258	2.9
193.12262	21.7
197.13165	1.9
211.13307	2.3
227.12781	6.9
243.21056	4.5
261.22089	12.7
267.15924	100.0
301.25320	4.4
317.24792	5.5
335.25821	68.8
435.32486	4.7
453.33679	5.8
471.34753	3.6
502.17612	1.9
509.36938	1.9
527.37366	48.8
528.37561	2.8
545.30963	1.9
545.38464	20.8
559.40564	2.3
612.46979	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	613.2282
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
53.03938	1.4
55.01869	2.3
65.03934	4.1
67.05493	2.3
70.60417	2.7
79.05502	3.4
81.03408	2.5
81.07027	1.6
85.02926	3.6
91.05478	4.3
94.04200	2.4
95.04973	4.9
97.06497	1.8
97.33224	1.2
100.11224	1.6
103.05466	18.6
105.03384	4.9
105.04528	1.9
105.07010	2.7
106.43491	1.6
107.04970	4.0
109.06503	3.5
111.04428	2.1
113.53673	1.3
115.05450	4.7
117.06980	3.2
118.04171	6.1
119.04928	2.3
119.72831	1.2
122.03642	4.9
123.04416	4.9
125.05980	2.6
129.06960	1.7
131.04922	32.1
133.02861	3.6
133.06474	4.8
135.04337	1.3
135.08121	1.6
137.05969	60.5
138.06311	1.9
140.04710	1.5
145.06456	3.3
147.04375	1.6
148.05206	10.2
149.06035	3.3
151.03906	78.6
151.05003	6.9
151.07512	2.1
152.04378	1.4
153.05498	6.4
155.07132	1.7
159.04366	1.6
160.05176	2.0
161.05963	4.1
163.07544	21.9
165.05496	6.0
167.06992	8.3
171.06483	1.7
173.06007	4.1
175.07524	6.9
176.04665	3.1
179.06995	1.9
180.07762	1.4
181.04948	50.0
187.07581	2.8
189.05479	1.9
189.09125	2.1
191.07021	100.0
192.07344	2.7
193.04982	4.5
193.08627	2.3
197.01312	2.1
203.06969	3.4
205.08508	3.5
207.06367	2.9
207.10161	1.6
208.07353	4.4
209.08064	5.3
219.10196	2.4
225.07549	11.9
226.08299	4.6
233.08044	4.6
235.09633	5.8
237.09059	2.2
263.09161	12.8
267.10034	1.8
277.08380	2.0
295.09702	1.5
309.11276	2.0
327.12265	3.5
329.13776	1.8
351.12341	1.7
355.11649	6.2
357.13168	2.3
369.13086	3.0
387.10245	2.1
387.14410	19.9
435.75967	1.6
613.32355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
56.96568	40.4
57.03418	0.8
58.61182	0.8
67.05501	2.9
67.47872	0.9
69.07088	0.9
69.28592	3.7
71.95269	1.6
79.05489	2.0
79.73058	0.8
81.03411	2.5
81.07046	3.4
83.08631	1.0
84.96037	4.7
91.05476	2.6
93.07040	2.4
95.04962	1.6
95.08584	2.2
96.96844	0.8
97.96801	1.3
98.23479	1.4
98.91994	1.2
98.97585	87.2
105.07037	3.6
107.08588	2.3
110.12209	0.8
110.97579	7.6
112.99139	35.2
115.97865	1.1
116.98624	35.7
117.06989	0.9
119.08571	1.6
121.10126	1.5
124.99140	3.3
128.98639	6.9
129.06929	1.1
131.00171	43.9
131.08604	1.5
133.10109	1.6
134.99673	9.2
140.00218	5.1
140.98575	3.8
143.00150	12.1
145.10165	1.6
146.99640	4.1
149.01225	31.7
152.98592	2.2
153.00700	1.1
154.01767	5.1
157.01678	1.0
158.01289	2.1
158.99660	39.1
161.01237	12.1
167.02271	4.3
170.99681	4.9
171.03166	1.0
172.02802	2.8
173.01202	8.2
175.02779	1.7
177.00711	37.2
185.01207	4.9
189.00745	3.6
191.02269	7.2
193.12308	1.3
195.01718	2.8
199.02808	11.9
200.02289	6.6
203.02315	5.8
205.03867	1.0
209.01231	3.8
214.03842	1.1
215.02286	2.6
216.36761	1.0
217.03912	4.2
219.01799	8.1
220.77068	1.0
227.02242	4.1
233.03412	1.7
236.87640	0.9
237.02739	5.6
240.05408	1.6
273.18393	1.1
275.04419	16.8
285.17020	1.0
293.05429	50.4
309.04904	1.1
311.06458	8.7
316.06976	7.2
317.17877	100.0
318.18225	3.2
332.60547	0.9
334.08176	3.5
335.18927	30.2
358.20560	10.8
373.20355	1.0
377.19989	9.3
391.21524	3.5
403.21490	2.2
497.24048	6.2
553.26855	77.1
554.27301	1.8
613.33600	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05503	5.2
56.96568	36.0
57.76815	1.6
57.77160	1.3
67.05511	7.8
69.07073	2.8
70.28582	2.0
70.28897	2.2
71.04984	2.8
72.86511	1.7
75.21563	1.4
79.05491	5.5
81.03409	6.1
81.07063	8.0
83.04983	2.5
84.96033	4.8
85.02914	2.4
91.05487	8.0
93.07048	11.0
95.04957	5.5
95.08595	5.0
97.06560	1.6
98.91988	2.5
98.97586	85.9
105.06997	9.1
107.04988	2.3
107.08572	6.3
109.10104	2.7
110.97586	5.5
111.08068	1.7
112.65952	1.4
112.99140	34.8
116.98629	37.4
117.07069	3.2
119.08568	5.7
121.10143	6.0
123.08128	1.9
124.99091	2.7
128.98595	6.6
131.00179	48.1
131.08578	4.1
133.10129	4.7
133.19904	1.5
134.99654	9.9
135.08064	2.0
140.00197	4.5
140.98634	1.9
142.07761	2.0
143.00166	11.5
145.10136	6.8
146.99675	3.2
147.11725	2.1
149.01236	31.6
149.09671	1.9
151.07584	2.0
152.98499	1.7
154.01755	5.8
155.00151	1.6
157.10146	2.6
158.01225	1.7
158.99660	37.7
159.11749	2.0
161.01201	10.8
161.09627	1.7
163.11195	4.3
165.09053	2.0
167.02275	6.5
167.10738	2.5
170.99641	2.7
171.11571	1.6
172.02879	4.3
173.01242	6.4
175.02786	1.9
176.99236	3.2
177.00717	39.6
181.12224	1.8
185.01218	3.2
187.02806	1.5
189.00708	3.3
191.02277	5.7
193.12308	3.3
195.01793	2.7
199.02765	8.0
200.02274	6.3
201.00688	2.2
203.02251	5.5
204.06683	1.5
209.01263	3.5
211.13315	4.6
215.02310	2.6
217.03835	6.0
219.01787	12.0
221.15312	1.8
223.67915	1.4
226.03763	1.8
227.02415	3.3
233.03305	3.8
237.02829	4.8
247.49658	1.5
275.04364	14.2
285.16861	1.7
293.05441	56.5
311.06561	10.9
316.07056	6.6
317.17880	100.0
318.18246	2.4
334.08160	2.2
335.18945	27.2
343.22690	3.0
358.20630	11.3
377.20035	10.7
391.21442	1.8
403.21375	2.8
458.49026	2.0
480.30203	2.7
497.24130	6.7
530.17224	1.8
537.30109	3.4
553.26874	89.8
554.27008	3.5
612.37091	2.2
613.37738	11.2
614.35901	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	613.4443
Annotation	Bengamide J
Peak:m/z	Relative Intensity
55.05515	0.6
61.14644	0.7
67.05506	1.6
67.16466	0.6
69.10304	1.5
69.10712	3.3
73.04771	3.6
74.05119	0.7
79.05481	1.4
81.07070	1.4
88.25303	0.8
91.05804	2.6
93.07047	1.0
95.08610	1.3
105.07060	1.2
107.08607	0.9
117.06984	0.7
140.49149	0.7
167.05574	1.1
179.26456	0.6
240.09743	0.7
317.20901	2.5
319.22351	1.0
345.44144	0.7
356.07382	0.9
357.06931	2.1
358.06897	1.1
497.99353	0.8
577.25763	0.7
595.43298	28.9
596.43939	1.8
613.44324	100.0
614.45001	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	613.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01878	2.0
55.05513	24.1
57.03425	4.3
57.07072	7.5
67.05506	47.4
69.07068	23.2
69.25173	3.2
69.25561	5.7
71.08634	3.8
79.05498	21.7
81.03408	1.9
81.07056	44.6
82.06706	1.6
83.08622	12.2
85.06509	1.9
89.66064	1.6
91.05476	22.9
91.79906	2.0
93.07040	30.4
95.04968	4.1
95.08611	31.0
97.06518	4.3
97.10166	8.0
97.84004	1.8
99.08077	2.2
100.54574	1.7
105.07034	31.4
107.08598	14.9
109.06543	2.3
109.10168	13.5
111.08101	2.8
114.69820	1.6
117.07024	10.9
119.08587	36.0
121.10141	11.7
123.08052	3.3
123.11707	6.7
129.07004	9.9
131.08559	33.1
133.10136	14.7
134.10524	2.1
135.11723	8.4
137.13257	4.1
141.07013	4.3
143.08562	13.4
145.10136	26.0
147.11732	9.9
149.13277	3.3
155.08592	7.5
157.10130	12.2
157.92982	1.7
159.11691	13.0
161.13235	8.9
163.14926	3.3
169.10179	7.1
171.11761	8.2
173.13342	9.3
175.14850	6.8
179.14340	2.0
181.10109	3.2
183.11703	6.3
185.13275	6.6
187.14795	10.5
189.16405	5.2
195.11723	3.6
197.13298	7.5
199.14832	5.9
201.16377	9.4
203.17813	2.1
209.13370	3.0
211.14836	3.5
213.16455	6.2
215.18007	4.0
217.19594	2.6
225.16399	2.4
227.18192	2.7
231.21085	2.9
241.19635	2.3
245.22574	2.1
255.21112	1.9
341.25006	2.0
501.86380	1.9
502.28729	1.9
521.43719	8.6
523.33893	5.3
539.44525	4.0
585.47089	2.0
595.47137	6.6
613.48212	100.0
614.48352	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	614.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58049	0.6
53.03940	0.9
58.02747	0.7
61.43324	0.6
67.05492	0.9
68.70566	0.7
76.77924	0.6
79.05499	2.7
81.07050	1.2
84.08128	0.9
91.05472	1.5
94.04192	3.6
95.04976	2.3
103.05465	2.2
105.03409	4.4
105.04506	1.0
105.07021	15.0
106.07314	0.7
107.04948	1.1
109.06524	2.3
115.05454	3.2
118.04135	1.0
122.03645	7.4
125.05943	0.8
128.06230	1.9
131.04944	1.8
132.10202	1.4
133.06479	9.5
135.04416	16.6
135.05458	1.1
137.05978	94.4
138.06297	1.9
139.05383	0.9
141.06982	1.5
143.04913	0.8
143.06055	0.9
146.03650	2.8
149.05931	0.8
156.05753	1.3
161.05978	63.0
162.06470	1.9
167.07133	0.7
171.08118	1.0
175.07474	1.2
184.05173	3.6
187.07568	1.3
188.08273	0.6
189.06999	0.7
191.08574	1.4
192.09326	1.5
198.05298	0.7
199.07549	19.6
202.07745	10.2
203.08557	20.3
204.09134	1.4
205.06435	1.2
207.08018	0.7
215.08632	1.0
219.08086	4.8
220.08870	5.9
230.07268	2.0
231.08049	32.0
232.08820	7.3
233.09395	1.0
235.11229	2.0
240.18887	0.6
243.08194	1.0
245.09589	1.2
247.07504	4.2
248.08311	15.7
249.09027	2.9
258.06732	2.8
259.04767	1.3
259.07550	25.1
260.08347	19.1
261.08960	2.6
262.09949	1.5
263.10687	15.3
265.08618	1.3
273.09039	0.8
275.07047	3.1
276.07806	12.1
277.08679	4.0
280.10748	0.9
290.09567	1.1
291.10150	100.0
292.10782	7.8
293.08035	1.4
293.11166	0.8
295.09915	1.2
295.13327	2.4
308.10431	2.4
323.12778	74.6
324.13190	2.8
334.16577	2.0
336.18097	0.9
341.10132	0.8
404.53888	0.7
413.13834	5.0
445.16360	2.7
464.23318	0.8
488.27631	0.7
614.39081	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	614.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84894	1.0
60.99828	1.2
67.05502	1.3
69.38538	4.3
69.38950	1.6
73.15273	1.0
79.05478	2.5
80.50491	1.2
81.07062	1.8
82.15044	1.0
91.05478	2.9
93.75671	1.2
94.04193	3.1
95.04977	1.6
97.84168	1.3
98.23418	2.7
103.05466	1.5
105.03375	9.4
105.07045	10.7
108.15771	1.2
109.06526	3.5
115.05456	3.1
120.07998	1.4
122.03651	6.7
131.04945	2.8
133.06499	5.8
135.04408	2.6
137.05981	81.9
146.03632	3.4
148.11159	1.9
161.05981	61.0
167.07018	2.5
184.05171	3.3
186.10004	1.3
191.08568	2.3
199.07547	20.9
202.07748	9.1
203.08533	19.1
204.09367	2.0
219.08026	6.9
220.08798	5.0
221.09680	1.4
230.07248	2.8
231.08032	32.9
232.08829	7.4
233.09503	1.9
235.11154	2.7
247.07520	3.3
248.08372	16.0
249.09009	2.3
258.06711	2.4
259.07550	25.1
260.08325	17.9
261.08951	1.6
263.10699	14.7
273.09033	1.2
275.06958	1.4
276.07794	11.3
277.08517	3.4
291.10162	100.0
292.10825	9.1
293.08200	2.2
295.09674	1.2
295.13174	1.9
308.10574	2.5
314.33124	1.4
323.12784	76.9
324.13126	3.2
334.16461	5.1
382.95230	1.2
443.14917	1.6
484.52139	1.3
509.42197	1.2
614.38708	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01873	0.8
57.03427	1.0
61.02913	1.1
67.05495	1.2
69.03427	3.5
69.07036	0.7
71.04971	0.7
73.02927	0.6
79.05477	1.7
81.03423	1.2
81.07047	1.4
85.02907	11.5
87.04464	0.5
89.41573	0.4
91.03980	0.6
91.05490	2.4
93.07037	1.4
95.04972	1.7
95.08600	0.9
96.38424	0.5
97.02892	3.5
97.06528	2.9
98.22704	1.1
99.04434	0.8
103.05466	4.4
105.04551	0.7
105.07018	2.0
107.04949	8.1
107.08589	1.2
109.02870	1.5
109.06523	1.1
109.10139	1.1
111.04434	1.7
115.03937	0.8
119.04949	0.5
120.04425	0.6
121.06524	4.5
123.04408	3.6
127.03926	1.8
129.06923	0.5
130.07753	0.4
131.04929	5.5
133.10237	0.5
135.04411	11.6
135.08047	1.8
135.11617	0.4
135.26848	0.4
137.05984	12.4
138.06726	0.9
139.07539	4.2
143.08566	0.5
145.04965	2.7
145.06445	0.6
145.10127	0.7
147.04430	1.0
149.05986	10.9
150.06746	0.9
151.07561	4.1
152.06190	0.6
159.11624	0.5
161.05972	0.8
163.03906	1.2
163.06100	0.7
163.07556	1.6
164.08347	5.9
165.07045	0.5
165.09077	0.8
167.07028	1.1
167.08539	1.0
169.06543	0.7
171.08008	0.4
173.05992	0.5
175.03958	0.6
175.07515	0.8
181.04984	0.9
181.06470	1.0
182.07207	0.7
183.08075	0.6
187.07648	0.4
187.11115	0.6
189.09181	0.9
191.06978	0.6
195.08014	2.6
196.08820	1.0
197.05904	1.0
207.06567	0.8
208.06889	0.8
209.06032	0.6
209.09578	0.5
212.08310	1.5
213.09088	1.6
215.07072	0.5
215.10626	0.5
223.07526	1.3
224.08344	1.0
225.09126	0.5
227.10684	2.8
229.08527	0.4
240.07916	1.0
241.08571	2.2
242.09505	1.0
245.11699	0.4
255.10193	1.6
258.08887	1.5
259.09726	0.6
260.09970	0.5
273.11209	100.0
274.11517	2.3
277.32095	0.5
278.17377	0.5
283.09650	1.6
285.11185	1.9
285.13998	0.5
295.09647	1.3
297.11215	4.3
299.12805	0.6
301.14493	0.5
315.12241	0.9
321.11240	1.1
339.12216	0.8
345.16995	0.6
373.16315	0.6
381.13205	0.8
388.21359	0.7
388.70926	0.7
389.21326	0.6
399.14337	1.9
420.22775	0.5
474.47775	0.5
503.19525	0.5
614.21545	1.5
614.30493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03442	1.6
65.03940	5.9
67.05505	4.2
69.03427	3.7
69.22817	3.1
69.23219	2.6
79.05493	11.2
81.03425	4.2
81.07066	4.5
82.04192	1.4
82.28597	1.0
83.91214	0.9
85.02910	8.5
87.04456	2.0
88.69785	1.1
91.05483	3.2
93.03413	1.5
93.07007	1.2
95.04979	4.4
95.08597	2.8
97.02891	2.6
97.06527	1.8
103.05465	1.1
105.04479	1.3
105.07027	2.8
107.04958	32.9
107.08621	1.0
109.02850	1.5
109.10143	2.1
110.03658	2.3
111.04442	2.0
115.03941	2.2
115.05466	3.8
117.07018	5.0
119.04980	1.1
123.04420	1.9
124.05212	6.4
125.06004	3.9
127.03897	2.4
129.07011	2.4
131.04874	1.5
131.08664	1.4
133.06506	3.5
137.05989	3.9
138.03172	1.4
141.06960	2.2
143.04919	1.4
144.05725	3.4
145.06493	9.5
145.23717	1.0
147.04417	3.5
147.08051	1.3
149.06050	1.5
151.27641	1.0
152.04671	2.5
153.05428	5.2
155.06059	1.9
157.06532	3.2
159.08057	2.7
161.05972	6.4
166.08643	1.4
167.07043	100.0
168.07303	1.2
171.06544	5.0
172.05191	2.3
173.05995	6.0
175.03923	1.3
175.07541	4.0
177.05431	1.2
181.04961	81.6
187.07597	8.1
189.05493	4.8
189.09128	1.1
190.06194	3.0
191.10654	2.1
195.06531	2.5
200.04756	1.4
201.05476	8.3
203.07072	3.1
205.08661	6.4
206.92821	1.2
207.10295	1.3
210.14877	1.6
217.08662	2.0
218.05586	5.1
219.06534	2.5
219.10204	4.4
221.06157	2.1
221.08105	8.8
233.08102	38.7
235.09660	35.0
245.08119	4.6
251.09138	18.2
253.08682	2.9
263.06754	1.5
263.09195	13.3
281.10211	4.9
285.06406	1.2
285.11240	4.0
295.09607	1.4
322.07663	1.1
323.09134	1.4
325.10867	1.2
327.12091	1.3
328.12610	1.2
331.08267	2.7
339.12537	2.0
352.09473	1.3
355.11792	3.0
367.11890	3.6
381.13223	1.7
384.11865	1.9
387.14377	8.0
399.14392	10.7
405.15387	2.3
417.15463	82.6
418.15579	2.4
435.16443	12.3
614.25006	3.3
630.46338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03442	1.6
65.03940	5.9
67.05505	4.2
69.03427	3.7
69.22817	3.1
69.23219	2.6
79.05493	11.2
81.03425	4.2
81.07066	4.5
82.04192	1.4
82.28597	1.0
83.91214	0.9
85.02910	8.5
87.04456	2.0
88.69785	1.1
91.05483	3.2
93.03413	1.5
93.07007	1.2
95.04979	4.4
95.08597	2.8
97.02891	2.6
97.06527	1.8
103.05465	1.1
105.04479	1.3
105.07027	2.8
107.04958	32.9
107.08621	1.0
109.02850	1.5
109.10143	2.1
110.03658	2.3
111.04442	2.0
115.03941	2.2
115.05466	3.8
117.07018	5.0
119.04980	1.1
123.04420	1.9
124.05212	6.4
125.06004	3.9
127.03897	2.4
129.07011	2.4
131.04874	1.5
131.08664	1.4
133.06506	3.5
137.05989	3.9
138.03172	1.4
141.06960	2.2
143.04919	1.4
144.05725	3.4
145.06493	9.5
145.23717	1.0
147.04417	3.5
147.08051	1.3
149.06050	1.5
151.27641	1.0
152.04671	2.5
153.05428	5.2
155.06059	1.9
157.06532	3.2
159.08057	2.7
161.05972	6.4
166.08643	1.4
167.07043	100.0
168.07303	1.2
171.06544	5.0
172.05191	2.3
173.05995	6.0
175.03923	1.3
175.07541	4.0
177.05431	1.2
181.04961	81.6
187.07597	8.1
189.05493	4.8
189.09128	1.1
190.06194	3.0
191.10654	2.1
195.06531	2.5
200.04756	1.4
201.05476	8.3
203.07072	3.1
205.08661	6.4
206.92821	1.2
207.10295	1.3
210.14877	1.6
217.08662	2.0
218.05586	5.1
219.06534	2.5
219.10204	4.4
221.06157	2.1
221.08105	8.8
233.08102	38.7
235.09660	35.0
245.08119	4.6
251.09138	18.2
253.08682	2.9
263.06754	1.5
263.09195	13.3
281.10211	4.9
285.06406	1.2
285.11240	4.0
295.09607	1.4
322.07663	1.1
323.09134	1.4
325.10867	1.2
327.12091	1.3
328.12610	1.2
331.08267	2.7
339.12537	2.0
352.09473	1.3
355.11792	3.0
367.11890	3.6
381.13223	1.7
384.11865	1.9
387.14377	8.0
399.14392	10.7
405.15387	2.3
417.15463	82.6
418.15579	2.4
435.16443	12.3
614.25006	3.3
630.46338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01882	0.3
57.03426	0.7
61.02926	1.0
67.05524	0.3
69.03423	2.3
69.60487	1.3
69.60829	0.3
71.04980	0.5
71.38855	0.3
77.03933	0.4
79.05488	3.2
81.03415	1.0
81.07043	0.4
83.01322	0.4
85.02399	0.6
85.02905	9.0
91.05490	1.2
93.07035	0.5
95.04960	0.9
95.08573	0.5
97.02882	2.9
98.22683	0.4
99.04465	0.7
103.05456	2.5
105.04485	0.4
105.07025	17.4
106.07336	0.3
107.08566	0.6
109.02867	0.8
109.10162	1.1
119.08569	0.8
120.05717	2.1
121.06506	1.1
123.08098	0.7
127.03902	2.3
135.08046	100.0
136.08391	2.3
137.06001	0.4
137.09590	1.6
145.04970	2.7
147.04488	0.3
147.08055	1.7
150.06755	0.5
151.07504	2.8
155.64999	0.3
163.06021	1.2
163.07358	0.4
165.09105	37.8
166.09457	0.8
180.08698	0.7
188.72382	0.3
189.09190	0.7
241.12250	1.1
267.13654	0.4
273.14835	76.5
274.15195	2.5
276.85785	0.3
279.03488	0.4
289.14273	1.3
297.14761	2.8
315.15875	0.7
339.15924	3.7
355.15527	0.5
381.17010	2.0
399.17999	6.7
435.19968	0.5
614.21405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01877	1.6
55.05515	1.5
57.03424	2.5
61.02921	2.4
67.05505	1.7
69.03427	6.8
69.07050	2.6
70.06592	1.7
71.04993	1.8
71.13580	0.9
73.02918	1.2
77.03934	1.1
79.05478	2.4
81.03418	3.9
81.07059	1.8
85.02409	1.7
85.02905	31.5
87.04442	1.0
88.93809	0.6
91.03960	1.4
91.05483	5.7
91.40403	0.7
93.07043	7.4
94.45116	0.7
95.04977	3.8
95.08611	1.9
97.02886	9.0
97.06538	12.3
98.06866	0.8
99.04464	1.4
103.05455	5.8
105.07018	1.8
107.04942	2.4
107.08578	1.5
109.02864	3.2
109.10158	1.9
111.08066	1.1
117.07001	2.4
119.08587	6.7
121.06502	79.2
122.06812	1.3
127.03920	7.5
131.08511	1.2
133.10152	0.7
134.07280	1.6
135.08078	1.3
135.11679	0.8
137.05975	3.0
138.06345	1.4
141.60875	0.7
143.08478	1.3
145.04958	8.6
147.08063	1.2
149.09622	5.7
151.07478	0.9
163.03897	1.6
163.06021	2.3
164.08293	2.1
165.09082	1.2
167.07016	1.3
169.10081	0.8
179.10669	28.0
179.12274	1.6
181.04985	2.0
187.07651	0.8
195.07968	1.3
213.09128	1.2
241.08601	1.7
259.09708	0.8
273.14838	100.0
274.15125	2.5
301.14337	0.9
309.14734	1.1
311.12918	1.7
327.15891	1.3
337.14297	4.2
343.15323	1.0
355.15353	2.9
373.16092	0.8
387.13919	1.0
387.18304	1.1
388.14716	1.2
431.18753	0.9
473.72125	0.8
528.31396	0.9
564.35095	1.9
570.32770	1.3
596.30878	1.2
613.32440	0.9
614.32428	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	614.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.53324	0.9
57.03436	2.6
61.02919	3.2
67.05492	1.2
69.03432	7.6
70.06626	2.8
73.02911	1.8
74.48933	1.0
77.03934	1.1
79.05510	3.5
80.22558	0.8
81.03421	3.1
85.02902	32.2
91.05477	19.3
91.06049	1.0
93.07052	3.4
95.04983	3.1
95.08630	1.0
97.02900	10.9
99.04436	2.4
103.05463	4.1
105.07033	100.0
106.07346	2.2
109.02890	2.1
115.03928	1.1
117.07079	2.1
119.08546	1.3
120.08058	1.6
121.06513	33.0
123.04469	1.4
123.08072	1.8
127.03929	7.7
129.07059	2.0
131.08601	3.5
132.08109	3.0
133.06485	2.8
135.08075	3.9
136.07600	3.5
137.05978	3.6
141.06982	0.9
145.05008	8.8
147.07977	1.3
149.06052	2.6
149.09666	1.4
151.07529	6.7
162.09825	1.0
163.06102	3.7
163.07590	4.1
165.09113	8.8
167.07143	1.3
167.08553	2.3
172.11243	1.8
177.09140	2.2
179.08572	2.1
179.10709	3.5
181.04973	1.1
181.10176	1.0
192.09377	1.5
194.10979	1.3
195.08119	1.3
195.11774	1.1
203.05296	1.7
207.11746	2.9
207.98351	1.1
209.09630	1.1
209.13309	3.0
212.11749	1.0
219.11861	2.7
222.10486	3.0
225.12741	22.0
227.14194	1.1
237.12737	63.5
238.13158	1.4
240.11676	1.5
243.13800	21.8
255.10294	2.5
255.13803	38.8
256.11063	2.8
256.13962	1.2
267.13440	1.0
268.13373	3.7
273.14874	29.6
292.13129	3.2
308.18652	2.0
336.12085	15.9
351.15909	2.1
369.16986	5.3
387.18103	5.2
417.17236	1.2
418.14871	1.5
545.99786	0.9
614.22076	57.9
614.31317	3.8
614.42535	2.6
615.22589	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	614.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79839	0.9
67.05501	0.9
68.05022	3.5
69.03432	3.1
69.69778	0.9
69.70112	3.5
70.06601	1.8
71.04993	3.1
71.34074	0.8
72.53778	0.9
79.05484	2.5
80.04549	1.4
80.05020	22.2
81.03439	0.9
81.07064	1.6
85.02919	4.5
85.06559	1.4
89.87347	0.8
91.05482	1.3
93.07047	2.6
94.06570	2.7
94.10648	0.8
95.04971	81.2
95.08637	2.1
96.08126	3.1
97.02888	1.3
97.23121	0.8
98.06053	2.6
98.23512	1.0
99.04456	2.1
99.52932	0.9
105.06995	1.7
108.08083	0.9
109.06526	2.2
111.08064	1.5
119.08621	1.0
120.08112	5.8
121.06504	2.6
127.03944	1.7
138.09143	54.4
139.07556	1.4
145.05008	1.2
145.10158	1.1
147.04382	1.6
148.07579	13.0
156.10207	100.0
157.10519	1.9
163.11142	1.3
166.08633	15.0
167.07065	3.2
168.10243	2.9
169.08592	1.1
181.04977	3.0
184.09700	46.0
191.10547	1.6
196.09798	1.0
209.11655	2.2
237.14763	1.1
251.12787	5.9
255.15927	1.1
273.11255	2.3
278.17700	1.3
399.14130	1.1
406.22198	1.5
408.24088	1.2
417.15555	2.0
434.21826	22.6
435.16483	1.0
435.22150	1.4
452.22787	74.8
453.23035	4.1
626.79730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.04776	0.4
56.05034	0.7
57.44245	0.4
58.03891	0.4
67.05490	1.1
68.05032	2.8
68.10351	0.4
69.03413	1.2
70.06578	1.3
71.04989	3.6
77.90442	0.4
79.05492	1.3
80.04549	0.9
80.05019	17.1
81.03410	0.6
81.07039	0.9
82.06563	0.6
83.04997	0.6
85.02890	2.3
85.06557	0.4
86.03260	0.4
91.05482	0.8
93.07034	1.4
94.06570	2.9
95.04970	71.1
95.08601	0.5
96.05305	1.0
96.08140	3.4
97.02897	0.7
98.06056	3.4
99.04427	0.6
105.07032	0.7
107.08590	1.0
109.02882	0.5
109.06517	0.8
110.06068	0.4
111.08091	0.5
115.03948	0.5
117.06965	0.5
119.04969	0.5
119.08604	0.9
120.08091	3.5
121.06515	2.6
121.10089	0.4
127.03872	0.9
129.05457	0.5
131.08588	0.7
135.08073	0.5
138.09142	51.1
139.07532	1.7
139.09476	0.8
145.10065	0.6
148.07561	10.8
156.10199	100.0
157.10527	1.6
163.11182	0.9
164.07027	0.5
166.08635	15.9
167.07036	1.0
168.10201	1.8
169.08627	0.5
184.09695	43.7
185.09937	1.0
189.18996	0.4
190.12228	0.4
208.13374	0.6
209.11668	0.7
233.11752	0.6
251.12823	6.8
255.15997	0.6
271.95218	0.5
276.15710	0.5
278.17511	1.7
287.05530	1.0
319.23514	0.4
361.02383	0.8
406.22214	1.1
408.23837	1.3
416.20740	1.1
434.21759	22.3
435.21927	1.2
452.22800	63.6
453.23026	3.9
462.81390	0.5
614.25842	0.9
625.15143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.1
57.03432	5.5
57.07063	2.4
57.61403	2.2
67.05510	20.2
69.07068	14.0
69.69418	3.5
75.93399	2.1
79.05499	8.8
81.07061	22.2
83.08628	6.4
83.34090	2.1
91.05480	4.0
93.07056	3.8
95.08613	17.1
97.10175	2.7
98.22718	3.0
98.97584	4.1
99.65411	2.7
105.07046	4.9
107.08587	5.5
109.10161	7.6
119.08566	2.4
123.11663	3.4
135.04349	5.0
135.08064	2.3
147.38522	2.2
150.12059	2.5
178.81033	2.4
293.05557	3.3
318.18167	2.8
318.22018	2.2
325.48666	2.1
337.23343	4.8
337.27390	100.0
338.27655	7.2
460.46613	2.3
542.02277	2.8
543.54803	2.4
554.27167	4.1
614.32971	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	614.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94784	0.4
55.05529	0.5
56.05034	0.5
57.07080	6.8
58.06594	1.7
61.06523	0.4
62.70794	0.4
65.03948	1.3
69.87674	1.1
69.88027	0.4
70.06596	17.5
71.08633	2.8
72.08144	0.5
81.54862	0.3
84.08143	0.6
85.10191	0.9
88.07632	21.6
97.70094	0.3
102.09182	16.9
113.78566	0.4
131.04933	0.7
147.04417	0.4
149.02345	42.2
150.02698	0.6
175.03925	0.6
193.04971	48.7
194.05339	1.0
212.23813	0.9
219.06464	0.7
225.05476	1.2
256.26358	39.5
257.26755	1.6
269.04498	1.9
297.03995	2.7
313.07031	3.0
319.17596	0.4
327.01666	0.4
341.06580	9.7
342.54877	0.4
359.07602	5.9
360.08322	0.5
385.09177	47.0
386.09485	2.6
428.22455	0.4
614.33209	100.0
615.24036	0.7
615.33630	8.1
616.09753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01870	6.0
55.05514	41.5
55.26569	2.0
57.03440	15.6
57.07080	10.0
59.04989	3.3
65.03957	4.2
67.05506	100.0
67.05869	5.3
67.21116	2.2
69.03439	7.6
69.07072	29.8
69.91499	2.2
69.91855	4.8
70.06601	11.1
71.05002	10.5
71.08638	21.3
76.18096	2.3
77.03932	3.6
79.05493	72.2
81.03417	57.6
81.03893	2.6
81.07057	89.3
83.04974	28.1
83.08619	36.4
85.02916	22.5
85.06556	6.2
88.07641	4.5
91.05481	84.7
93.07043	72.6
93.07595	4.7
95.04971	43.1
95.08602	43.6
97.02885	3.4
97.06505	11.8
97.10175	16.8
98.97630	3.6
99.08083	22.9
102.09205	3.1
105.03386	10.5
105.04524	4.8
105.07027	58.8
107.04974	11.8
107.08593	38.0
109.06538	10.0
109.10163	15.5
111.04442	4.6
111.08086	15.3
113.05997	3.6
113.09634	3.5
117.07031	13.9
119.06100	2.4
119.08575	44.7
121.06528	5.5
121.10135	24.7
123.08105	7.7
123.11758	5.3
123.27551	2.4
125.09621	10.5
127.07531	2.4
127.44436	2.4
128.06221	2.8
129.07013	17.2
131.08575	21.6
132.10217	4.0
133.06537	4.3
133.10118	29.6
135.08102	7.0
135.11705	8.6
137.09621	3.5
139.11174	2.9
141.06941	2.8
141.56807	2.3
142.07797	4.6
143.08548	4.7
144.09216	2.2
145.10153	12.6
146.11775	3.9
147.08025	4.0
147.11673	19.3
149.02348	9.7
149.05975	44.7
149.09612	8.9
149.13269	14.7
151.11180	24.4
157.10149	18.6
159.11708	9.3
161.09657	2.6
161.13278	9.6
163.11176	17.4
165.09009	2.8
165.12787	6.1
167.10670	7.7
169.10135	2.8
171.11713	5.4
175.11163	14.3
175.14815	5.4
177.12744	2.9
179.14352	6.2
185.13258	4.1
189.11259	5.7
193.04958	11.8
193.12241	46.4
195.13727	2.9
203.14281	3.3
211.13289	58.7
221.15300	3.8
227.12737	22.0
233.15379	3.5
241.19545	3.4
251.16397	3.0
256.26385	5.1
259.20651	7.0
267.15869	20.9
269.17426	22.5
269.99408	2.4
276.56476	2.3
277.21680	23.1
285.16962	45.6
295.22751	2.8
297.07507	6.8
300.29050	16.3
317.06070	2.3
317.17953	2.9
337.27469	7.1
341.10187	32.1
351.25366	35.2
365.23535	2.7
383.24265	4.3
385.08923	4.3
437.25388	3.0
439.26794	4.2
461.28906	24.4
463.30203	2.9
479.30023	78.6
480.29898	2.9
543.36633	10.2
561.37927	20.3
614.36810	61.1
615.35822	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	614.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12143	2.5
53.03938	5.9
53.22741	2.9
55.01871	6.9
55.05267	3.4
55.05513	41.6
57.03441	17.7
57.07077	7.6
59.04973	4.6
65.03941	5.7
66.94915	2.8
67.05503	92.8
67.41283	3.2
69.03418	9.5
69.07063	27.5
69.07642	20.2
70.06602	3.1
71.04987	9.5
71.08639	19.7
71.18508	2.8
79.05495	68.2
80.23257	2.6
81.03417	58.9
81.07056	97.3
83.04967	24.4
83.08621	36.1
85.02899	22.6
85.06541	5.1
88.07617	8.3
88.85850	2.4
91.05479	73.4
93.07042	77.1
95.04970	46.1
95.08604	46.3
97.02868	2.7
97.06551	15.2
97.10159	9.3
98.97580	9.2
99.08076	13.4
105.03399	4.5
105.04518	5.1
105.07024	55.6
107.04964	9.9
107.08595	35.0
109.06513	12.0
109.10136	14.4
111.08106	14.9
112.99127	3.2
117.07031	21.3
117.81324	2.7
119.08583	34.4
121.06477	7.5
121.10151	28.7
123.08064	8.7
123.11738	6.5
125.09589	5.1
129.07002	18.1
131.00185	4.2
131.08562	26.4
133.10130	31.6
135.08038	5.0
135.11684	9.3
137.09558	4.6
142.07826	4.9
143.08588	3.5
145.10147	10.9
147.08044	6.9
147.11636	19.4
149.02310	4.0
149.05983	12.5
149.09622	8.0
149.13271	13.7
151.07739	2.8
151.11191	21.7
155.48737	2.9
156.09448	3.5
157.10103	21.8
158.99734	3.7
159.11687	11.3
160.11212	31.0
161.09657	3.1
161.13251	7.6
163.11205	15.0
167.10681	10.6
171.11696	3.5
173.13260	6.3
175.11157	14.4
175.14841	4.5
177.00711	2.9
177.12746	4.9
179.14287	5.9
181.12259	5.1
183.11676	3.8
189.12793	2.9
193.12224	42.0
195.13747	8.0
197.13260	3.9
201.12706	3.3
211.13274	65.2
221.15430	6.1
227.12761	7.0
241.19550	4.0
256.26346	7.9
267.15826	23.1
269.17468	43.2
277.21637	12.6
285.16922	53.0
293.05389	5.2
297.07578	3.3
317.18106	3.5
318.18094	6.9
337.27423	16.9
341.10251	6.3
351.25391	22.9
443.27783	4.5
461.28970	36.9
479.30048	100.0
480.30002	3.7
543.36853	5.4
554.26935	7.3
561.37854	11.8
582.41193	4.0
614.36639	29.5
615.33887	8.1
615.41217	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	614.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.3
55.05513	38.8
57.03447	15.9
57.07084	12.1
59.04990	4.2
60.80814	2.5
61.08384	2.6
62.97340	2.3
65.03966	3.4
67.05508	100.0
69.07076	14.4
69.17772	17.0
71.04993	4.3
71.08628	5.4
79.05490	42.9
79.48409	2.4
81.03419	3.5
81.07059	62.5
82.61140	2.5
83.04989	7.9
83.08613	14.8
85.02906	10.5
85.06522	3.7
85.10218	2.5
87.04470	11.9
89.06034	98.7
91.05485	22.5
93.07044	41.7
95.04965	8.6
95.08609	42.0
97.10171	17.1
105.04561	3.2
105.07040	16.0
107.07078	3.5
107.08591	28.0
109.06525	6.4
109.10149	54.1
111.08069	4.1
117.07034	5.7
119.08566	17.5
121.10154	22.8
123.08082	4.5
123.11714	5.5
125.09624	19.6
130.08679	2.6
131.08583	15.4
131.60286	2.5
133.07608	3.8
133.08606	54.1
133.10143	9.6
135.11707	10.3
136.04800	2.8
137.09558	4.1
143.08620	3.7
143.10645	4.1
145.10127	9.6
147.11708	8.7
149.09653	2.8
149.13216	4.9
155.08513	3.1
155.10652	4.4
157.10127	6.3
159.11700	6.0
161.13260	6.1
163.11176	7.3
171.11780	3.0
173.11745	10.4
173.13264	6.7
177.11229	25.0
199.13330	8.4
203.48016	2.8
210.27893	2.5
221.13635	4.4
227.12766	3.9
229.14362	29.8
261.22220	8.7
301.16562	10.1
327.20261	3.5
335.25809	54.7
371.22656	3.7
415.25360	36.9
422.76459	2.5
477.35635	4.8
489.35635	8.9
534.33350	4.2
598.91327	2.9
614.39417	7.3
614.48724	3.2
615.40070	5.9
640.22882	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	614.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.1
55.05515	26.0
57.03442	20.6
57.07085	5.5
61.91877	1.8
65.03934	3.1
67.05507	63.0
67.05865	3.1
69.03448	2.8
69.07073	23.0
70.73042	2.6
70.73374	2.1
71.04982	3.0
79.05492	27.4
81.03420	85.7
81.07062	61.1
83.04981	6.4
83.08620	27.5
91.05479	26.9
93.07043	24.1
95.04970	26.9
95.08611	40.2
95.09214	2.5
97.06557	6.0
97.10183	11.0
99.08110	2.8
105.07043	20.7
107.04969	9.5
107.08573	12.9
109.06551	3.3
109.10175	19.2
111.08108	6.1
112.04185	1.8
117.07036	3.3
119.08591	22.3
121.06519	3.5
121.10136	13.2
123.08096	3.4
123.11729	7.6
125.09622	4.1
129.07027	7.6
131.08585	9.0
133.06488	5.0
133.10173	10.8
135.11726	4.7
137.13280	2.4
142.07776	4.3
143.08626	4.0
145.10155	5.0
145.75420	2.0
147.08038	2.5
147.11655	10.7
149.09679	4.7
157.10152	11.7
161.13266	3.7
163.11253	2.7
165.12781	2.7
175.11198	8.5
193.12215	21.2
223.56758	1.7
229.53914	1.8
245.22485	2.9
263.23737	6.0
267.15918	100.0
268.16461	2.9
303.26758	2.6
333.80600	1.8
337.27356	90.7
338.27603	4.5
412.84750	2.1
423.44046	2.0
437.33978	2.6
455.35117	6.8
473.36133	2.8
529.38892	62.1
530.39142	6.0
547.39984	28.4
548.40131	2.2
561.42224	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52448	3.2
69.03426	13.0
70.06592	8.3
70.24738	7.6
71.39642	4.0
74.45734	3.4
79.05492	5.0
79.31706	3.6
81.03439	4.6
85.02911	8.8
95.49724	3.8
97.02893	5.0
98.23383	4.7
106.06561	10.2
113.79173	3.4
115.03987	4.6
118.28536	3.4
127.03970	3.3
130.58827	3.3
134.09622	3.5
135.08099	3.5
145.08243	3.5
151.07553	15.3
153.01871	7.1
153.05428	5.5
157.06454	4.5
160.11157	4.1
167.07074	3.9
179.10619	5.6
200.10568	4.1
218.11765	40.3
236.12811	100.0
236.15150	4.9
245.08153	5.7
262.03717	3.5
278.98099	4.0
280.19116	13.3
280.72443	3.8
345.33255	3.5
382.16187	4.3
413.61826	3.9
418.18628	62.5
436.19626	59.1
459.29633	3.5
478.16660	4.5
580.24048	24.9
598.24957	70.9
614.84692	4.3
615.34143	4.8
621.23230	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	615.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58538	0.4
57.07062	0.7
64.74475	0.4
67.27084	0.4
69.06995	0.5
69.87566	1.0
71.08627	0.8
79.34023	0.4
87.04449	0.7
89.06031	11.7
90.06380	1.0
95.08615	0.4
97.58384	0.4
99.99364	0.5
118.93788	0.4
133.08598	6.8
134.08968	0.6
177.11198	2.9
191.03952	0.3
221.13721	0.6
233.63263	0.5
415.25449	2.4
416.25674	1.2
495.24780	0.8
615.34973	100.0
616.35498	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	615.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43798	2.1
63.71167	1.7
69.03407	2.9
70.06582	3.9
70.59653	2.6
90.90044	1.8
99.73306	1.9
106.17882	2.0
111.08073	15.1
117.58039	1.9
188.07066	3.7
234.14865	9.3
245.67764	1.9
308.18552	100.0
309.18890	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	615.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01101	1.5
50.37001	1.7
54.74896	1.8
60.71336	1.5
61.98494	1.5
69.03420	4.1
74.25509	1.6
85.02894	2.6
89.54848	1.6
91.58453	1.5
92.42165	1.7
101.33039	1.5
111.08086	14.4
115.03899	1.5
118.06508	2.6
127.59241	1.4
130.59529	1.5
144.08018	2.6
146.06001	12.2
188.07045	15.3
205.09782	6.5
206.15450	2.8
226.61191	2.0
234.14873	10.0
295.05798	1.7
308.18552	100.0
309.18936	12.2
501.71344	1.6
615.24072	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	615.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04225	0.4
61.63063	0.4
62.74084	0.5
67.05526	0.5
69.03414	0.6
70.06599	2.4
70.52711	0.7
72.08164	0.5
79.05482	0.5
81.07066	1.2
84.08131	2.2
85.02929	0.6
86.09699	1.5
87.04461	0.6
91.05502	0.5
95.08634	0.6
96.08134	0.4
97.54008	0.4
105.25390	0.4
105.45857	0.4
119.08603	0.4
122.09707	1.0
125.04565	0.4
126.14697	0.4
126.35548	0.5
129.10249	1.4
134.30952	0.4
136.11201	1.3
137.05997	1.3
137.11984	1.7
138.12804	4.2
139.07591	0.6
150.09108	0.5
151.07538	3.3
164.14372	1.3
166.15945	1.5
167.07021	1.4
187.07629	0.4
217.08496	0.5
225.09090	0.5
250.21703	4.6
275.12833	1.4
278.21082	3.7
278.23505	0.4
294.20624	4.5
295.20996	4.4
296.22208	100.0
297.22452	3.4
321.18915	0.7
330.10999	0.6
383.14871	1.7
401.15851	0.8
454.24265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01877	4.1
55.05517	30.9
57.02005	3.8
57.03430	5.2
57.07062	12.1
57.97219	3.7
59.04983	5.5
61.76481	3.3
65.03923	5.4
67.05509	53.0
68.29234	3.5
69.03436	19.4
69.07064	28.4
69.79392	3.0
71.04978	5.8
71.08618	5.7
77.03912	5.8
79.05486	53.8
80.46064	3.7
81.03435	18.3
81.07057	55.1
82.07393	4.5
83.04980	18.9
83.08625	21.3
85.06538	13.3
91.04607	3.5
91.05486	81.2
92.05825	5.2
93.07048	91.9
94.07372	3.6
95.04967	39.3
95.08607	42.9
97.06521	14.3
103.05437	9.1
105.04494	7.0
105.07037	100.0
107.04952	9.5
107.07925	7.5
107.08598	94.2
109.06516	25.9
109.10163	37.6
111.04455	10.9
111.08060	8.1
111.11671	3.8
115.05454	10.7
116.84446	3.6
117.07025	27.6
119.04935	4.4
119.06044	4.5
119.08581	93.9
120.08920	4.9
121.06509	33.9
121.10142	93.2
122.10442	4.9
123.08073	17.8
123.11692	10.7
125.05995	4.3
125.09612	17.5
128.06242	10.8
129.07037	22.5
130.07770	7.3
131.08562	62.4
133.06506	16.4
133.07536	4.5
133.10133	62.4
134.10468	3.8
135.04355	4.0
135.08034	23.7
135.11694	23.7
137.09683	5.9
141.07042	10.8
142.07825	21.0
143.08572	38.6
144.09363	5.8
145.06451	15.0
145.10135	65.9
147.08058	20.8
147.11682	32.6
149.05974	6.4
149.09631	38.4
151.07549	10.3
155.08568	24.3
156.09344	18.2
157.10129	49.4
158.10849	10.4
159.08055	43.7
159.11719	42.3
160.08748	4.0
161.06009	4.0
161.09615	14.7
161.13245	11.0
163.07567	12.5
163.11182	12.0
164.11478	4.3
165.06992	9.9
165.09135	8.5
166.07771	5.3
167.08516	10.9
167.10669	52.9
168.09297	9.4
169.10106	26.3
170.10966	9.9
171.08075	8.2
171.11688	34.0
173.09662	17.8
173.13254	35.2
175.07565	6.7
175.11171	15.8
175.14816	16.9
177.09070	8.8
179.08562	9.1
180.09256	9.1
181.10130	21.2
181.12213	4.2
182.10910	13.0
183.08006	6.0
183.11710	34.3
185.09654	17.0
185.13252	14.6
186.10400	4.1
187.07544	17.7
187.11136	11.4
187.14796	18.7
189.09108	5.5
189.12752	15.2
191.14343	10.4
192.09354	5.3
193.10121	13.3
193.12059	5.5
194.10904	7.6
195.11674	26.0
196.08884	4.7
196.12454	12.7
197.09627	11.4
197.13313	18.8
199.11183	14.0
199.14839	16.6
201.09116	4.9
201.12849	8.1
201.16310	4.4
203.14313	4.7
206.10927	4.1
207.11652	14.6
207.13707	7.4
208.12422	4.2
209.09567	8.9
209.13240	17.8
209.15167	6.5
210.10435	4.8
211.11159	14.9
211.13120	8.1
211.14830	14.0
213.10899	3.3
213.12752	14.3
213.16370	11.5
215.14296	15.2
216.09317	3.7
217.15773	3.7
219.11719	8.2
220.12480	6.2
221.09540	4.1
221.13306	11.4
221.15372	17.0
223.11176	11.8
223.14798	9.7
225.12697	14.3
225.16415	9.8
227.10728	5.1
227.14426	5.3
229.12263	5.0
229.15851	3.9
231.11690	7.4
231.13811	4.9
231.17349	5.2
233.13254	8.2
233.15363	77.5
235.14726	8.2
237.08884	4.0
237.12749	7.4
237.16394	6.7
239.10478	4.4
239.14349	4.0
241.15843	4.0
243.13770	4.0
243.17398	5.6
247.14938	4.2
249.12686	4.4
251.14285	4.2
251.17996	4.7
253.12248	10.0
255.13838	5.5
255.17424	4.0
261.16312	4.4
263.17871	7.4
265.15717	4.6
267.17505	6.2
269.18945	13.5
273.18494	12.7
275.14310	4.3
277.15918	6.2
279.17542	4.7
281.18988	7.9
285.16602	5.8
291.17328	5.3
293.18878	4.7
297.18600	6.9
309.18478	8.2
375.23077	5.0
393.23917	6.4
479.29913	6.7
480.30292	18.0
544.36920	16.1
555.37842	4.2
561.36926	5.4
562.37549	6.0
579.38275	22.3
597.32849	21.1
597.39404	31.1
598.39734	7.2
615.34308	58.9
615.40808	48.0
616.35669	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	616.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01869	2.2
57.03434	2.5
61.02934	4.6
62.70109	0.7
67.05511	0.9
68.65592	0.7
68.78445	0.7
69.03431	14.8
71.04982	1.9
73.02921	2.8
81.03415	9.7
81.07027	0.9
85.02908	40.2
87.04462	8.4
91.03950	2.6
91.05492	2.6
93.03391	1.5
93.07024	0.8
95.04974	0.9
95.08571	0.9
97.02899	16.4
97.06535	0.8
99.04462	3.0
103.05438	0.8
105.07039	1.4
106.04169	2.7
109.02882	7.8
111.08157	0.8
115.03930	21.9
119.04964	0.8
119.29330	0.7
121.02865	5.5
121.06499	3.2
125.06001	0.7
127.03922	20.3
127.04860	1.0
131.04976	1.2
131.08566	4.2
133.04970	6.9
133.06482	1.7
135.04445	1.3
141.07027	1.9
144.05721	3.1
145.04959	22.1
147.04260	0.7
147.08026	2.3
149.05980	6.3
151.07541	1.0
153.09148	1.4
157.05270	0.9
157.06506	8.0
159.08061	16.4
159.09337	1.1
161.05966	2.8
162.68089	0.6
163.06032	3.4
163.07430	0.9
169.07555	2.0
174.32120	0.6
175.07570	2.0
177.05527	4.1
181.08656	2.7
185.05980	40.8
186.06381	1.3
187.07547	1.7
189.05579	0.8
191.07034	1.9
193.08647	2.8
203.07043	12.2
209.08095	12.1
213.05453	9.9
215.06985	3.9
231.06540	18.2
233.07852	0.7
241.04982	8.6
241.07114	1.0
257.11722	2.7
259.06003	19.5
259.08255	4.5
269.42078	0.7
277.06638	1.0
277.09247	2.5
287.05493	6.9
305.06555	100.0
306.06824	3.5
323.07626	18.4
333.13220	0.8
616.27551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66253	2.0
55.05523	2.3
57.02364	2.3
57.07045	2.5
57.11393	2.1
59.04994	4.4
60.41258	2.1
67.05496	3.7
67.63417	2.2
69.07071	2.6
70.06583	2.8
73.33990	2.0
79.05491	6.5
81.07063	5.2
91.05472	5.8
93.07050	5.2
93.45047	2.1
94.04197	3.2
95.04961	5.5
95.08607	4.6
97.06563	2.5
103.05498	4.5
105.07018	16.9
107.08617	3.8
109.06494	5.5
109.10184	2.8
115.05468	4.2
116.31160	2.3
119.08588	5.0
121.02883	18.1
121.10122	9.2
122.03655	6.8
126.06573	2.4
131.08553	3.7
133.06497	7.5
133.10132	4.2
137.05994	90.2
137.09590	2.4
143.08543	2.9
146.03642	3.7
147.08078	3.7
147.11760	2.8
149.09612	4.6
151.07463	2.5
157.10143	4.0
159.08110	3.4
161.05988	60.1
167.10672	6.1
171.07875	2.5
184.05281	3.0
199.07549	20.3
202.07751	8.6
203.08560	14.4
205.61081	2.4
219.08138	4.5
220.08870	5.5
221.61122	2.6
231.08055	30.1
232.08809	5.0
233.15402	7.4
247.07690	2.8
248.08327	14.3
259.07541	24.4
260.08328	21.4
263.10666	13.7
276.07843	13.6
277.08688	3.3
291.10162	100.0
292.10785	8.7
308.10162	2.6
323.12793	74.8
324.13141	3.6
432.97894	2.7
532.46173	2.4
615.40906	2.8
616.31561	6.6
616.40808	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	616.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01871	1.2
55.05489	0.6
57.03430	2.2
61.02932	3.6
69.03431	6.1
69.07095	0.8
69.45605	3.2
71.04993	1.6
72.23405	0.6
73.02917	1.6
79.05494	1.4
81.03407	3.2
81.07040	1.2
85.02905	34.0
87.04475	0.8
91.03960	2.6
91.05478	18.9
93.07068	1.1
95.04950	0.8
97.02892	8.9
97.06521	0.9
98.22685	1.4
99.04444	1.8
105.07047	5.9
107.04951	5.2
107.08553	0.7
107.58965	0.7
109.02859	3.8
109.06461	0.7
111.04430	2.5
115.03966	1.5
119.04944	27.6
119.08551	0.8
120.04453	0.9
121.06509	2.0
121.10101	0.9
124.05180	0.9
125.51122	0.7
127.03902	8.6
131.04907	1.1
133.06488	5.1
135.08064	1.2
137.06012	2.0
138.06667	0.8
139.07541	5.2
145.04950	14.1
145.06491	1.4
149.05986	2.3
151.07541	3.4
159.08087	1.3
163.06015	4.6
163.07419	1.3
164.08324	1.9
165.06981	1.2
170.49925	0.8
175.07416	0.7
179.08615	0.8
191.14319	1.1
193.08572	1.1
195.08092	0.8
197.09616	2.4
205.08713	1.3
210.06702	1.2
220.09097	0.8
225.09114	1.6
226.09821	1.3
228.95000	0.7
232.09798	0.8
242.09444	2.3
246.03302	0.7
257.11728	100.0
258.11984	4.9
267.10168	2.8
269.11707	4.3
279.10321	0.9
281.11713	4.1
299.12897	3.2
302.13809	1.7
323.12894	3.7
326.68057	0.8
347.12906	0.9
365.13791	2.9
383.14835	2.5
401.15933	1.4
616.26740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01862	1.0
55.05494	0.4
57.03433	0.6
57.07084	0.2
61.02927	0.9
65.03944	0.6
67.05502	1.1
69.03435	2.9
69.07069	0.7
69.17587	0.8
70.06599	0.3
71.04993	0.7
73.02917	0.5
77.03938	0.3
79.05514	1.0
81.03421	2.0
81.07059	1.2
83.01342	2.4
83.04971	0.6
83.08613	0.2
85.02908	9.9
85.06540	1.9
86.06070	0.9
87.04474	0.7
91.05482	16.8
92.05808	0.4
93.07061	1.1
95.01330	0.6
95.04982	2.2
95.08609	0.6
97.02890	2.8
97.06548	0.4
97.10152	0.2
98.06060	0.5
99.04445	0.8
103.05476	0.9
105.07032	6.6
107.04949	2.7
107.08612	0.4
109.02886	1.6
109.06541	1.0
109.10157	0.5
111.04461	2.6
111.08094	0.6
113.06030	0.6
115.03934	2.7
115.05402	0.3
117.07023	0.5
119.04947	29.0
119.08572	0.6
120.04502	0.2
120.05273	0.3
121.02877	0.4
121.06512	6.5
121.10139	0.4
123.04420	0.7
123.08092	0.7
124.05203	1.6
125.05989	0.4
127.03909	3.5
128.04247	0.2
128.06242	0.3
129.07040	0.2
131.04951	0.6
131.08577	0.2
133.02852	0.3
133.04956	0.5
133.06493	9.1
133.10135	0.7
135.04442	0.8
135.08064	2.1
137.05981	4.4
137.17125	0.2
138.06750	1.1
139.07545	6.2
143.03407	1.6
143.08533	0.3
145.04958	4.1
145.06493	1.7
145.10133	0.5
147.04382	0.3
147.08026	0.5
148.05203	0.4
149.05992	2.6
150.06773	0.2
151.07538	3.9
151.11182	0.3
153.09114	0.2
155.08517	0.2
157.06508	0.6
158.07248	0.2
159.06937	0.2
159.08018	1.1
161.06038	0.4
161.09622	6.1
162.10448	1.1
163.06009	2.1
163.07524	1.1
163.11192	1.4
164.08324	2.6
165.05531	0.5
165.07011	0.8
165.09081	1.5
167.08611	0.4
169.06485	0.2
171.08107	0.4
171.17523	0.2
175.07494	0.4
175.14886	0.2
178.07747	0.3
179.07057	0.2
179.08530	0.5
179.10703	0.6
181.04990	0.3
181.06509	0.6
181.08652	0.5
182.07240	1.0
183.06509	0.4
183.08061	0.4
188.08473	0.4
189.09111	1.1
191.07047	0.3
191.10663	0.5
193.04936	0.4
193.06505	0.3
193.08553	0.2
194.07248	0.2
195.08044	0.4
196.08925	0.2
197.09616	2.9
199.07542	0.8
203.07098	0.3
204.13998	0.2
205.08676	0.3
209.15355	0.6
210.06754	1.3
211.07562	0.9
213.09183	0.3
215.10657	0.3
217.08641	0.3
219.06540	0.8
221.08037	1.5
224.08432	0.5
225.09164	2.3
226.09901	1.0
227.07036	0.4
227.10591	0.4
229.08829	0.3
229.12161	0.4
233.08073	0.3
239.10680	0.3
241.08646	0.3
242.09338	2.6
243.10086	0.3
255.10117	0.3
257.11725	100.0
258.12073	3.9
259.09885	1.8
267.08414	0.4
269.11716	0.6
275.09180	0.7
275.12756	5.9
277.08997	0.4
277.10583	0.3
287.12717	1.1
299.12598	0.3
315.12219	0.9
325.11371	0.3
333.13312	12.2
334.13577	0.4
340.21371	0.3
351.14398	3.6
365.13821	0.4
383.15109	0.3
401.15894	0.3
407.27982	0.2
436.19644	2.2
454.20663	1.5
519.96283	0.2
598.24933	0.3
616.26404	0.5
639.01520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81809	0.4
56.15530	0.4
56.30959	0.3
57.03441	0.7
61.02912	0.7
65.03928	1.0
69.03426	2.5
69.55566	0.5
69.55904	1.7
70.06606	1.0
77.03940	0.5
81.03420	0.8
83.01385	0.5
84.08153	0.5
85.02905	12.1
86.09727	0.6
91.05483	92.3
92.05821	1.6
95.04975	1.3
97.02885	2.1
98.22681	0.8
99.04445	0.7
105.03396	27.8
105.04510	0.9
105.07030	0.6
109.02864	0.8
109.06606	0.4
115.05454	0.8
116.38541	0.4
119.04942	0.5
120.08130	0.4
121.76265	0.4
127.03919	2.3
133.06502	0.4
135.18382	0.4
137.05963	2.6
138.06746	0.5
139.07527	0.6
145.04984	3.2
151.07541	9.8
161.05957	1.1
163.06035	1.1
165.05479	9.2
165.06796	0.9
171.90976	0.4
176.15318	0.4
178.07849	0.6
183.11545	0.6
193.10149	1.1
196.08833	1.8
211.11182	12.0
221.09885	0.4
224.08403	0.6
239.10689	9.9
257.11737	100.0
258.12106	4.3
278.17542	1.2
338.19574	0.9
339.19925	0.8
616.27954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01871	0.9
57.03435	1.3
61.02937	1.5
65.03951	0.3
67.05510	0.8
68.99776	0.2
69.03430	3.7
71.04979	0.3
73.02908	0.6
77.03951	0.2
79.05502	3.5
81.03415	1.4
81.07059	6.8
82.55653	0.2
85.02908	11.1
87.04482	0.4
91.03955	0.4
91.05476	2.6
93.07089	0.3
94.04185	0.3
95.04973	0.8
95.08629	0.3
97.02901	3.2
99.04450	0.7
103.05463	2.2
105.07030	8.7
107.04948	1.1
107.08591	0.3
109.02886	1.1
109.06520	8.1
109.40920	0.2
111.04432	0.2
115.03918	0.6
117.06998	0.4
119.04950	0.9
120.05735	1.2
121.06506	2.8
123.04429	5.8
123.08125	0.3
127.03917	2.3
133.05035	0.2
133.06471	0.6
135.04413	0.8
135.08058	4.4
137.05981	35.0
138.06369	0.4
139.07542	1.4
145.04971	2.5
147.04424	0.6
149.05965	0.8
150.06767	2.9
151.07550	11.4
152.08310	1.4
153.09109	1.7
159.08113	0.2
161.05994	0.7
163.06035	0.6
163.07423	0.3
165.09117	45.3
166.09457	1.1
167.07094	0.2
175.07579	0.6
177.05432	0.5
177.09103	0.4
179.10628	0.3
181.08594	0.8
187.07648	0.2
189.09113	0.7
193.08470	0.2
203.07085	0.2
203.10760	0.3
209.08034	0.7
225.09146	0.3
229.08551	0.2
231.10094	0.2
236.83580	0.2
243.10204	0.9
255.10117	0.3
257.11734	0.5
273.11234	0.3
275.12775	100.0
276.13126	3.7
276.15350	0.1
285.11194	2.4
287.12759	6.0
288.12985	0.2
293.08038	0.2
297.11304	0.3
299.12854	1.4
301.14026	0.3
309.11182	0.8
311.12750	0.2
313.14517	0.3
317.13831	3.4
341.13815	3.5
353.13840	2.6
365.13763	1.5
383.14850	4.4
401.15921	2.7
419.16696	0.6
616.27588	0.2
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
51.02369	0.5
52.03175	0.4
53.03935	1.3
55.01867	2.0
57.03431	0.5
62.40686	0.4
65.03949	2.2
67.05511	0.9
68.99782	0.4
69.03432	0.9
70.06594	0.8
75.04472	3.0
77.03914	0.9
78.04713	2.0
79.05496	2.2
81.03400	1.0
81.07066	0.8
85.02904	6.1
85.61095	0.4
89.03915	1.3
89.06034	0.7
89.29127	0.4
91.05481	10.7
93.03407	11.1
93.07052	5.0
95.04974	4.9
97.02900	1.0
97.06528	1.5
103.04852	0.5
103.05461	5.8
105.03327	0.5
105.04514	1.9
105.07031	13.8
106.04173	22.8
107.04987	2.0
109.06516	1.4
111.04423	0.8
115.05431	2.8
117.03398	0.4
118.04150	1.2
119.04931	1.4
121.01033	0.4
121.02814	0.4
121.06510	27.0
122.07367	0.5
123.04449	0.9
123.08069	0.7
124.05225	0.6
125.05990	7.2
127.03924	0.9
131.04922	2.8
131.05901	0.5
132.05815	0.4
133.06494	13.0
134.03624	3.1
135.04367	0.8
135.08028	0.8
137.05978	8.3
138.06743	1.0
139.07526	2.4
143.06039	1.7
145.02936	0.8
145.04922	1.1
145.06390	0.4
147.04362	0.6
148.05179	2.5
149.05981	42.9
150.06409	1.0
151.03867	0.5
151.07541	3.1
152.08301	0.9
153.05446	1.2
153.09111	11.8
158.25041	0.4
161.05984	29.5
162.06305	0.9
162.07585	0.6
163.03896	1.3
163.07501	2.9
165.05492	0.5
165.09111	3.0
166.06259	1.2
167.07025	2.4
177.05482	19.5
178.05904	0.4
179.06966	0.5
180.08861	0.4
181.08603	19.7
182.08963	0.4
191.07040	16.5
193.08604	37.8
194.08936	1.0
195.06473	0.7
209.08089	100.0
210.08463	2.5
242.37428	0.4
275.09738	0.5
275.12775	9.2
296.22278	0.6
297.22412	0.5
310.78323	0.4
341.13730	0.6
369.12930	0.6
383.14816	0.9
387.14218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03431	0.9
61.02919	1.6
65.03948	0.6
67.05513	0.7
69.03439	3.2
69.39719	0.7
69.40091	0.7
70.06578	0.8
71.04997	0.5
73.02911	0.6
79.05514	2.3
81.03420	1.2
81.07074	1.1
85.02905	9.9
87.04467	0.4
91.03958	0.5
91.05483	13.3
92.05744	0.3
93.07031	0.5
95.04970	0.9
95.08600	0.7
97.02885	3.0
97.06528	0.9
98.22691	0.4
99.04445	0.5
103.05461	1.9
105.07033	10.2
107.04985	0.4
107.08588	0.7
109.02877	1.5
109.06486	1.7
109.10133	0.5
111.04452	0.4
117.07063	0.5
118.04144	0.3
118.45470	0.3
119.04944	9.4
119.08584	0.5
120.05788	1.6
121.06501	3.6
121.10136	0.3
123.04429	5.9
123.05270	0.4
123.11804	0.4
124.07559	0.4
127.03908	2.6
130.45273	0.3
131.04855	0.4
131.08672	0.3
133.06502	0.8
133.10139	0.5
135.08061	4.3
137.05980	42.2
139.03922	0.6
139.07547	1.0
145.04947	2.4
149.05994	0.5
150.06764	3.0
151.07553	7.8
152.08337	1.3
153.09106	1.0
159.11601	0.3
163.06070	0.5
165.09120	38.8
166.09436	0.6
175.07657	0.5
180.08636	0.4
181.08813	0.6
188.08517	0.4
188.26183	0.3
189.09105	0.8
191.10704	0.4
191.14307	0.8
193.08548	0.4
197.09598	0.6
198.01569	0.4
203.10641	0.4
209.15312	0.8
214.18111	0.6
229.12228	1.4
233.11644	0.4
243.10226	0.6
257.11749	1.4
275.12778	100.0
276.13138	3.1
285.11142	1.0
287.12753	4.0
299.12808	1.6
309.11041	0.4
317.13724	2.1
329.13837	0.5
341.13849	2.1
353.13840	1.5
365.13806	0.9
383.14911	2.9
401.15912	1.7
469.83902	0.4
481.72290	0.4
578.29431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65562	0.9
55.01889	1.8
55.05510	4.0
56.05046	1.2
58.99587	5.1
65.03935	1.0
67.05504	9.8
69.07056	1.7
69.46426	3.1
70.02962	2.0
70.06592	10.2
71.08634	5.8
76.02232	11.2
79.05497	4.0
80.05035	1.4
81.03439	1.7
81.07052	5.0
81.94028	1.1
83.05019	1.2
83.06103	2.4
83.08652	1.5
84.04502	9.1
86.00659	1.8
86.09705	1.7
86.99059	2.6
91.05475	4.6
93.07045	2.8
95.04974	2.1
95.08613	4.4
97.01142	1.0
97.06496	1.2
97.10165	1.3
98.06050	4.1
99.05556	0.9
99.08115	3.5
105.07030	4.3
107.04964	1.0
107.08597	3.5
109.07698	1.5
109.10166	7.6
112.02194	2.3
113.00585	1.8
116.01709	6.4
117.07006	1.6
119.08611	2.5
121.06434	1.7
121.10178	2.0
126.03732	4.8
126.05544	2.4
129.06607	2.6
130.05002	3.8
135.02669	1.1
135.08054	1.7
136.11319	1.2
137.05978	2.1
137.09648	1.7
138.12946	1.0
139.02168	2.1
139.05742	1.2
142.03232	1.1
143.02785	1.4
144.01125	2.8
145.06075	1.8
147.11703	1.1
149.09566	1.2
155.05278	1.1
155.08182	1.2
162.02290	6.8
162.03476	1.8
165.09108	1.5
168.08395	5.5
170.02742	1.2
170.09979	3.3
173.11787	2.1
175.11087	1.5
177.03362	1.8
179.04889	7.4
182.09996	4.6
183.08408	1.1
185.03761	2.0
187.05382	1.9
189.03278	1.6
199.07365	1.2
210.09428	1.4
212.10590	1.9
231.04408	5.1
233.05945	4.3
239.12306	1.1
243.10583	1.5
248.11142	1.7
250.12581	2.9
266.12158	2.4
268.13669	4.0
285.12686	4.6
291.19479	5.4
305.15811	2.8
308.09109	3.1
309.15601	1.7
315.37201	1.2
323.16824	6.1
330.18942	1.5
338.21442	1.5
348.19910	14.4
349.18384	3.3
366.20996	18.6
371.16309	1.6
376.19135	1.4
384.22241	1.7
394.20447	3.8
405.21573	1.5
406.20865	2.2
451.22525	4.6
469.23691	100.0
470.23990	3.1
541.25745	13.0
598.27869	3.1
616.28418	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	616.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70761	1.1
53.03951	11.5
55.01871	12.9
55.05500	2.3
57.03442	7.0
60.04507	1.3
61.02929	7.7
67.05520	2.8
68.99796	4.6
69.03426	35.6
69.40124	6.1
69.63383	1.0
71.05000	6.1
73.02918	8.8
73.19134	1.1
74.36047	1.2
79.05500	4.0
81.03416	36.5
81.07069	6.4
83.01360	1.4
85.02904	100.0
87.00824	43.9
87.04464	1.5
91.03954	4.2
91.05483	5.1
93.07058	4.5
95.08613	18.2
97.02260	2.4
97.02886	44.9
97.10175	3.4
99.04449	17.9
100.11263	1.6
105.01866	48.1
105.07021	10.2
107.08591	6.3
108.04511	6.5
109.02876	55.0
109.10175	5.6
111.11708	1.4
115.03916	1.4
117.01841	5.6
117.06999	4.3
119.08554	8.1
121.10156	7.9
126.05516	3.3
127.03911	81.4
129.01826	7.2
129.07001	1.9
131.08566	6.7
133.10133	15.4
135.11710	3.7
139.11201	1.6
143.08565	1.7
145.04958	40.5
145.10101	5.9
147.02895	4.3
147.11693	5.1
149.13304	1.7
157.10110	1.3
159.02887	24.8
159.11723	7.8
161.13255	3.6
167.07005	1.6
168.07463	1.4
171.11690	3.7
173.13261	1.7
179.10669	2.7
185.13258	7.4
191.10693	3.9
199.11128	1.3
199.14812	1.9
205.12250	6.7
213.03885	9.5
213.16425	3.8
215.17986	2.6
217.12248	1.8
230.06647	2.0
231.04984	34.3
231.13809	3.9
233.11929	1.7
241.15834	2.0
241.19516	36.0
242.19789	1.5
248.07651	4.3
249.06062	6.6
259.20560	5.0
266.08682	3.7
269.18985	31.4
287.20041	82.7
288.20456	3.5
297.18466	2.5
305.21075	3.0
315.19434	16.8
333.20587	72.7
334.20850	2.4
350.23422	1.2
351.21854	2.5
368.24283	1.5
448.72861	1.5
517.24420	5.3
545.23804	3.3
563.24805	34.7
564.25012	2.0
581.25635	9.3
616.38123	2.6
627.89124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01886	0.7
55.05508	1.2
56.05031	0.6
57.03423	0.3
62.82529	0.2
65.03945	0.6
67.05506	1.6
69.03431	0.4
69.24465	0.3
69.89159	0.8
70.06600	1.8
79.05485	1.5
81.07052	1.2
82.06580	0.7
84.08146	99.5
85.08472	1.1
91.05481	6.7
93.07043	0.6
95.04975	0.9
95.08607	6.4
96.08134	0.4
97.08923	0.5
103.05476	0.4
105.05891	0.3
105.07036	4.1
108.08121	0.8
115.05458	0.9
117.07045	2.6
119.04955	5.1
119.08614	1.6
120.08110	0.7
121.06519	3.9
123.04421	3.7
123.08080	2.0
123.10459	0.4
128.06223	0.5
129.07039	1.7
131.08577	0.7
133.06496	21.2
133.10103	0.6
134.06825	0.4
137.05960	2.1
141.07045	0.5
142.07759	2.8
142.08720	0.3
145.10280	0.3
147.08018	0.6
147.11694	0.8
151.07553	3.1
157.10136	16.2
158.10498	0.7
160.08899	1.3
174.12859	0.5
175.11191	43.3
176.11542	1.4
186.94376	0.3
218.11670	0.4
220.13327	100.0
221.13676	4.1
257.15472	0.5
260.13242	0.3
280.15445	8.5
406.84991	0.3
424.19620	3.0
440.19009	0.6
442.20752	37.2
443.21136	2.0
616.31189	62.7
617.31573	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	616.421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09152	0.7
55.05479	1.7
55.87187	0.6
56.05000	0.9
56.96527	2.1
57.03406	1.0
57.03918	0.7
57.61575	0.6
58.60852	0.8
65.03884	0.7
67.05462	2.9
68.04973	0.9
69.05757	0.8
69.07032	1.9
70.06586	9.9
71.04987	3.7
79.05444	1.5
81.07002	1.7
82.06560	3.9
83.01294	2.1
83.07315	3.2
83.08620	0.9
84.08142	49.7
86.09660	1.8
91.05444	0.9
93.07034	1.9
95.08557	3.1
96.08071	3.3
97.08904	4.0
98.97614	3.8
99.04373	0.9
100.07553	0.9
100.11243	0.9
104.10713	2.0
105.06950	1.2
108.08083	2.4
110.09650	1.7
112.99084	1.6
115.03873	0.8
116.98599	2.4
117.95435	0.8
119.08552	0.9
120.08036	0.8
121.06432	1.8
122.09670	14.2
123.10392	2.7
124.11197	1.6
127.03864	2.0
131.00117	1.8
134.09702	0.9
135.07997	1.2
135.10419	1.2
136.10226	0.8
136.11205	10.3
137.12010	6.2
138.12767	4.1
139.07468	0.7
140.10675	1.0
148.11237	1.3
149.01181	1.4
150.12744	2.0
151.07478	1.1
155.06981	0.9
158.99712	1.2
161.09702	0.7
162.12801	1.6
164.14317	5.2
165.15062	2.6
166.15891	1.6
176.14288	0.9
177.00632	1.5
180.13817	1.1
182.15334	0.9
194.15436	4.9
195.15781	0.9
199.02739	0.9
206.71896	0.7
210.14896	20.4
232.17026	0.9
238.08417	0.7
238.14381	0.9
246.16835	0.7
258.14780	0.8
262.08029	0.9
269.11624	4.2
275.04318	0.9
290.17566	1.0
292.18961	2.1
293.05627	1.3
294.05643	1.2
304.15576	1.2
308.18433	2.3
316.75650	0.7
320.19595	1.6
336.18039	100.0
337.18018	3.4
338.20856	2.2
339.28983	2.9
340.84906	0.7
354.19104	6.9
475.21402	1.5
513.18945	1.6
534.28748	0.8
556.28632	4.2
616.42059	75.7
617.43286	4.8
632.53680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69614	0.2
54.13606	0.2
55.05515	1.2
56.05043	0.6
67.05502	1.3
68.05029	0.6
69.03442	0.3
69.05799	0.8
69.07037	0.2
69.30475	0.8
69.30882	0.4
70.06233	0.4
70.06594	5.5
71.04998	1.2
74.07682	0.2
79.05483	0.7
80.05012	0.7
81.05795	0.8
81.07050	1.0
82.06583	2.4
83.01323	1.6
83.07370	2.4
84.08144	56.9
84.52148	0.2
85.08468	0.4
91.05477	1.3
92.27907	0.2
93.07036	1.3
94.06552	0.6
95.04961	0.5
95.08603	1.9
96.08130	3.8
97.08917	4.5
97.09486	0.4
97.10167	0.3
99.04440	0.5
100.07631	0.5
105.07037	0.9
107.08599	0.6
108.08118	3.0
109.08897	1.0
109.10174	0.3
110.09693	1.3
111.08059	0.5
115.03932	0.8
117.06998	0.2
119.08618	0.3
120.08099	1.1
121.06506	0.7
121.10112	0.3
122.09669	14.0
123.08057	0.7
123.10453	3.2
124.11237	1.3
127.03905	1.5
131.08534	0.3
134.09605	1.2
135.08037	0.5
135.10440	0.9
136.11215	11.1
137.05954	0.3
137.12006	6.0
138.12807	2.8
140.10663	0.5
143.03377	0.5
148.11232	1.3
150.06758	0.5
150.12790	3.3
151.07556	0.9
155.07042	0.9
162.12805	1.4
163.13580	1.0
164.14366	4.0
164.37050	0.2
165.09097	0.7
165.15109	1.8
166.15884	1.5
174.12865	0.2
176.14439	0.3
182.15369	0.4
183.06537	0.4
189.09082	0.8
192.13876	1.0
194.15399	5.2
210.14888	6.6
221.11555	0.2
232.17046	1.4
238.14093	0.3
247.09663	0.4
258.14944	0.4
260.16635	0.3
262.92859	0.2
264.19553	0.5
276.16006	0.6
285.14890	0.3
290.17514	0.6
292.19086	1.9
304.15427	1.3
308.18509	2.4
318.16992	0.6
336.18045	100.0
337.18414	2.7
339.28931	1.2
437.20541	0.4
448.46616	0.3
616.42065	44.7
617.42566	2.0
636.66541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	2.2
67.05505	3.0
67.30906	0.6
69.03403	1.2
69.07046	0.8
70.06593	11.5
71.04999	7.0
71.46398	0.8
75.19746	0.6
79.05475	1.4
81.05767	0.8
81.07008	2.2
82.06547	2.7
83.01302	2.1
83.07323	1.7
83.08594	1.1
84.08145	42.1
91.05443	2.1
93.07008	1.8
95.04941	1.2
95.08603	4.1
96.08157	3.5
97.08875	2.9
98.06018	0.7
99.04398	1.8
100.07565	2.0
104.10748	0.7
105.06985	1.8
107.08585	0.8
107.16002	0.6
108.08100	3.0
109.08845	1.3
110.09661	2.1
111.08039	0.9
115.03872	0.9
118.50614	0.7
119.08568	0.6
119.24615	0.6
120.08116	1.2
121.06480	2.8
122.08845	0.8
122.09668	11.6
123.08072	1.2
123.10401	1.9
124.11182	2.6
127.03885	2.8
133.10204	0.8
134.09579	1.7
135.04399	1.3
135.08089	1.1
136.11220	10.1
137.05997	0.7
137.12029	5.8
138.09100	0.6
138.12801	6.9
140.10670	2.1
148.11243	1.0
150.06743	1.5
150.12766	2.7
151.07576	3.3
155.03337	0.7
155.07018	1.3
162.12779	1.9
163.13600	0.9
164.14360	3.9
165.09097	2.3
165.15056	1.9
166.15891	1.9
167.07039	0.8
180.13837	0.8
182.15327	1.5
183.06487	1.1
187.07431	0.7
192.13805	1.1
194.15448	5.5
210.14897	27.6
211.15198	0.8
220.13336	0.9
232.16969	1.2
238.14507	1.1
241.31439	0.6
264.19882	0.8
270.12564	0.8
276.16086	0.9
283.13370	0.8
286.99023	1.9
292.19208	1.5
304.15610	1.1
308.18594	1.8
311.12811	0.7
318.17212	1.5
319.19180	0.6
336.18048	100.0
337.18484	3.8
339.28912	4.7
354.19122	9.3
391.15765	0.7
437.20303	2.2
616.42047	93.2
617.26471	1.6
617.42401	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	616.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.6
57.03428	15.5
57.07082	7.2
58.39754	5.8
64.30550	6.3
67.05490	18.6
69.07079	36.3
69.14828	32.1
79.05490	9.0
81.03407	65.8
81.07040	26.8
83.08604	32.7
83.47138	6.2
91.05472	9.4
93.07033	18.8
95.04960	20.6
95.08594	20.9
95.31271	5.4
97.06506	6.6
97.10173	14.9
98.22695	14.7
102.40426	5.8
105.07003	13.9
107.08569	6.8
109.10149	14.2
111.07998	6.1
121.10138	16.4
125.05996	6.4
129.07016	7.2
135.11705	8.4
157.10208	8.4
175.11150	14.0
177.34972	6.4
193.12231	17.9
227.55020	7.1
267.15900	99.6
310.60818	6.6
339.28909	100.0
388.20926	15.4
398.88513	6.7
531.40448	91.8
549.41260	11.1
616.40515	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	617.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	15.5
62.15017	1.3
62.15329	1.2
64.66692	1.2
69.80888	1.3
71.11909	2.2
74.91159	1.4
98.91940	6.8
153.02173	1.7
171.03262	1.9
173.04980	1.6
256.26328	3.7
262.99927	1.5
307.19485	2.2
313.21997	2.6
335.22559	22.8
347.22632	6.2
353.23621	26.9
361.24106	16.8
363.25647	5.4
365.23560	4.8
371.24973	2.5
373.23898	7.5
376.25317	3.9
379.25208	24.2
381.26654	2.8
391.25183	66.1
393.26727	3.4
402.26886	3.4
405.26608	5.0
409.26239	100.0
410.26672	3.7
423.27682	5.1
427.27328	48.0
432.27917	9.4
435.28366	1.6
450.28824	9.5
465.28903	82.8
466.29086	3.8
467.29688	1.6
483.29935	83.5
484.30240	3.7
501.30978	5.1
506.31384	11.4
524.32654	9.8
557.33575	11.9
581.75897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.366
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
54.28156	0.3
57.02490	0.2
69.13763	1.3
69.40572	0.2
76.04426	0.2
77.80206	0.2
87.04471	0.5
137.69305	0.2
433.16562	0.3
488.04984	0.3
617.36548	100.0
618.36926	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	617.3662
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
53.98446	0.3
60.98377	0.3
69.36412	1.5
89.06066	0.4
98.91939	1.0
99.27006	0.3
130.37515	0.3
133.01024	0.3
150.15610	0.4
353.23618	0.6
379.25055	0.4
391.25345	1.5
391.99448	0.4
409.26297	2.3
427.27377	1.1
465.29007	1.6
483.30084	1.4
617.36566	100.0
618.36975	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	617.3664
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
50.18918	0.4
53.97546	0.5
55.05509	1.6
57.03425	0.8
57.07068	0.9
59.37868	0.4
62.55349	0.6
65.03962	0.6
65.16045	0.5
67.05510	4.1
69.03430	1.9
69.07086	2.7
71.10352	0.7
75.49616	0.5
79.05491	4.0
81.03427	1.3
81.07063	5.3
83.04974	1.4
83.08633	1.3
84.96044	0.7
85.02898	1.2
85.06552	1.0
91.05480	4.5
92.39091	0.5
93.07053	5.5
95.04962	2.7
95.08594	2.8
97.06543	1.1
105.07027	5.6
107.08603	3.3
109.06493	1.3
109.10154	1.2
117.06976	1.3
119.08591	5.0
121.06521	1.5
121.10148	5.3
123.08070	2.3
125.05962	0.5
125.09573	0.7
128.06290	0.7
129.06990	0.9
131.08577	2.9
133.06587	0.6
133.10124	3.6
134.42480	0.5
135.08052	1.1
135.11707	0.8
137.09621	0.9
141.07014	0.5
142.07759	0.9
143.08553	2.0
145.10132	3.9
147.08058	0.9
147.11714	1.4
149.09627	1.6
151.07570	1.6
155.08568	1.1
156.09285	0.7
157.10143	1.8
158.10912	0.9
159.08089	1.0
159.11703	1.7
161.09648	1.1
161.76837	0.5
163.11189	0.9
165.09125	1.1
167.10689	5.9
169.10162	0.7
171.11737	1.2
173.13258	1.0
175.14868	1.3
181.12300	1.0
182.10847	0.6
183.11780	1.4
185.13321	0.8
187.11247	0.9
187.14803	0.6
189.12735	0.9
191.14325	0.9
193.10236	0.6
193.12196	0.8
195.11719	1.0
197.13300	1.0
199.14784	0.7
203.14380	0.7
207.11830	1.2
207.13872	1.5
209.13333	0.7
221.13351	1.0
221.15311	3.3
223.14868	1.4
233.15356	1.7
235.14943	0.7
251.12527	1.7
284.92877	0.6
286.19287	0.8
299.20096	0.8
307.15210	1.2
317.21548	0.5
333.20349	5.5
377.24637	0.6
389.23047	4.8
581.40045	0.7
599.40692	1.8
617.36432	100.0
618.27435	0.8
618.36914	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	617.3664
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
53.54675	0.5
55.05510	2.3
57.03415	0.6
57.07084	0.6
59.04997	0.7
67.05508	3.9
68.28498	0.5
69.03428	0.8
69.07071	2.0
69.73434	1.4
79.05489	2.5
81.03431	0.8
81.07072	3.5
83.04975	1.5
83.08611	1.2
85.02960	0.7
91.05481	3.4
93.07056	5.8
95.04955	1.7
95.08624	3.1
97.06554	1.2
97.10168	0.8
99.93653	0.5
100.97145	0.6
105.07030	4.7
107.08601	4.0
109.06525	2.2
109.10149	1.9
117.07029	1.4
119.08583	3.2
121.06538	0.9
121.10149	4.5
123.08068	2.3
123.11720	0.9
125.05915	0.6
125.09602	0.6
127.50280	0.5
129.07008	0.9
131.08582	2.6
133.10165	2.8
135.08084	1.2
135.11691	1.0
137.09598	0.8
141.07080	0.6
142.07745	1.1
143.08559	2.2
145.10150	3.4
147.08083	1.6
147.11687	1.5
149.09639	1.0
151.07541	2.1
157.10143	1.9
159.08049	0.8
159.11691	1.5
161.09615	0.8
163.11177	2.0
165.09123	1.4
167.10640	3.5
169.10173	1.2
171.11641	0.6
173.13225	0.8
175.14836	0.8
181.12247	1.8
189.12691	1.2
197.13251	0.8
203.14282	0.8
207.13760	0.6
209.13210	1.0
209.15210	0.6
221.15352	4.0
225.42973	0.6
233.15395	1.5
286.99167	1.2
305.13788	0.6
333.20276	1.5
335.21927	3.8
389.23096	1.1
391.24542	3.6
437.20160	1.2
599.41498	1.3
599.49768	0.6
617.36365	100.0
618.36670	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	617.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
57.03437	0.6
67.05501	3.6
69.07077	0.9
69.38392	0.9
69.38795	1.5
71.05009	0.5
79.05492	1.9
81.03397	0.5
81.07057	4.3
83.05002	0.4
83.08626	0.6
88.36668	0.4
91.05491	1.5
93.07043	2.8
95.08611	3.8
105.07034	1.3
107.08611	1.6
108.89291	0.4
109.10175	1.2
112.09784	0.4
119.08611	0.7
121.10179	1.2
123.08132	0.5
131.08594	0.7
133.10150	0.8
134.67360	0.3
135.11673	0.5
149.09618	0.5
157.10165	0.5
164.87158	0.4
187.48256	0.5
233.11443	0.9
283.15158	14.5
284.15570	0.8
324.93704	0.4
335.25818	1.5
339.17731	4.2
617.40216	100.0
618.40686	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	618.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
55.05511	2.4
67.05490	6.3
67.76514	1.7
69.03429	20.2
69.07069	5.7
70.06603	1.7
70.74349	1.7
71.04984	7.0
79.05495	13.5
81.03411	8.0
81.07056	10.8
83.04972	4.3
85.02898	6.4
85.06528	2.3
86.06067	1.7
87.04472	2.1
91.05473	10.3
93.07054	9.9
95.04964	5.7
95.08602	4.2
97.02917	2.6
97.06537	9.8
99.04460	7.2
101.03433	1.9
103.05444	4.4
105.07031	71.1
105.07745	3.4
107.04939	5.2
107.08586	7.6
109.02866	4.6
109.06529	3.4
109.10132	2.1
117.07027	7.1
119.04935	3.7
119.08566	11.5
121.06513	18.6
121.10153	3.5
123.04404	2.4
123.08095	2.2
125.06006	4.7
127.03909	5.9
128.06192	1.9
129.05482	1.6
129.06976	5.3
130.07777	5.2
131.08586	14.1
133.06491	18.3
133.10153	10.4
135.04396	8.1
135.08041	3.6
136.04695	2.7
141.06949	3.8
143.07016	4.6
143.08585	9.2
144.09329	5.4
145.06483	8.7
145.10124	100.0
146.10571	2.6
146.52327	1.5
147.08038	2.7
147.11638	2.9
149.05998	2.2
151.07487	2.5
154.07785	3.0
155.08560	5.3
157.10143	6.9
158.07243	11.1
159.08075	9.9
159.11682	32.6
160.11981	1.8
161.09572	8.7
161.13284	2.7
163.07506	2.0
163.11081	1.8
169.10149	11.7
169.11397	2.5
171.11674	3.7
172.08829	3.4
173.09615	66.2
174.09990	1.9
175.14862	2.5
179.08481	2.9
185.09610	3.0
187.11191	39.8
189.12750	3.8
191.07022	2.3
191.10599	3.1
197.09627	9.2
205.12244	81.0
206.15527	1.9
209.13249	1.5
211.14742	3.8
213.09216	2.0
215.10670	87.7
216.11026	2.2
233.11710	54.1
251.12796	3.4
253.15768	3.4
271.16870	8.5
281.15295	2.1
299.16403	6.3
302.13892	2.0
309.13373	5.0
317.17508	3.7
319.11679	5.7
337.12827	20.3
342.10657	3.7
355.13770	8.8
359.15384	2.1
446.76569	1.9
463.16901	1.7
481.16986	3.3
499.17926	10.9
617.43738	2.4
618.30493	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	618.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.01880	4.3
55.05488	4.2
57.03433	2.4
59.05017	1.8
63.61333	1.8
67.05489	8.9
69.03433	15.5
69.07068	15.6
69.15012	9.6
70.06625	1.8
71.04995	8.1
79.05486	15.6
81.03432	7.9
81.07059	12.3
83.04964	8.5
83.08614	3.0
85.02908	13.0
86.06038	2.1
86.68427	1.7
91.05487	14.5
93.07055	15.3
94.06582	2.6
95.04990	9.8
95.08603	6.1
97.02903	7.8
97.06532	17.9
99.04462	6.9
103.05475	3.2
105.04500	2.8
105.07038	47.9
105.07735	2.6
107.04958	9.3
107.08601	8.0
109.02912	10.0
109.06488	4.5
109.10157	3.6
111.04440	2.4
115.03941	3.1
115.05520	2.1
117.07001	5.7
119.08603	22.9
121.06513	33.3
121.10154	5.6
122.06051	3.7
123.08125	2.1
123.11686	3.4
125.05994	5.7
127.03932	9.9
129.05559	2.6
129.06987	6.4
130.07797	4.9
131.08569	14.4
133.06493	28.5
133.10127	20.9
135.04430	8.0
135.08084	2.7
135.11934	1.7
137.05931	2.3
139.03889	7.5
141.06999	2.1
143.07024	6.6
143.08569	6.8
144.09319	2.7
145.04965	4.6
145.06502	12.0
145.10127	58.7
147.08041	3.0
147.11723	2.9
150.05498	7.4
151.07527	2.3
152.07056	4.6
154.07793	3.5
155.08560	11.3
157.10118	8.8
158.07303	15.9
159.08101	12.0
159.11743	19.7
161.05978	4.0
161.09631	5.2
161.13293	2.5
163.11194	2.8
169.10129	10.2
171.08035	3.8
171.11671	2.9
172.08824	6.5
173.06088	3.1
173.09625	100.0
175.11192	14.0
175.14827	27.1
179.08632	3.7
183.11729	2.2
185.09662	3.7
187.11176	35.7
189.09081	4.6
190.09479	2.4
191.10628	4.1
193.10025	2.2
195.07964	2.2
197.09636	8.7
201.16389	2.7
205.12238	14.8
211.14842	5.7
215.07230	3.4
215.10675	61.1
233.11716	53.8
236.16617	2.0
247.04640	2.1
253.15858	2.5
254.17538	2.3
259.09717	8.8
260.09982	3.1
271.16940	7.3
274.90115	1.7
299.16449	6.4
317.17523	4.6
317.20993	3.0
319.11719	2.2
329.08466	2.2
337.12781	18.2
355.13943	13.8
359.14426	2.0
365.11664	2.3
388.21091	2.8
397.71588	3.0
409.14716	8.3
421.18481	4.6
426.71606	2.0
499.18457	3.8
554.30194	1.9
618.31036	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	618.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.4
56.16646	0.4
67.05463	0.5
68.04989	1.3
69.03394	1.1
69.25153	1.7
70.06573	0.9
76.02181	0.5
80.05013	2.6
82.06528	1.3
84.08100	0.6
86.09701	0.4
91.05442	1.2
93.06955	0.5
94.06490	1.1
95.04941	1.1
99.04385	0.6
100.11208	0.7
105.06988	0.8
106.06523	0.8
108.08056	0.9
115.05446	0.8
117.05730	0.5
117.06973	1.2
118.05767	0.7
118.06537	9.1
120.08082	1.0
122.09607	0.5
126.16816	0.5
129.06981	0.6
130.06516	5.0
131.08528	0.6
132.08081	4.0
134.09679	2.0
142.06471	0.7
143.07248	1.5
144.08087	6.5
145.10091	0.7
146.06001	13.7
146.09651	1.0
148.11115	0.7
149.10677	0.8
150.09036	0.5
156.08032	1.4
157.07669	0.5
158.09651	2.3
158.10701	0.4
159.09193	0.6
160.07538	0.7
160.11139	2.0
162.12740	1.8
167.07301	0.5
168.08069	5.5
170.05978	1.8
170.09665	2.1
172.11162	1.7
176.55368	0.5
177.13811	0.6
180.07935	0.5
182.11766	1.3
184.11214	4.4
185.10709	2.0
187.12289	1.2
188.07082	3.5
188.10683	0.8
188.12949	0.5
202.12424	0.5
203.11765	0.7
204.12477	1.0
208.13260	1.2
209.10597	1.2
211.12263	1.1
212.10690	0.5
212.14256	2.8
218.11702	0.8
227.11761	1.7
230.11774	0.6
230.15358	0.5
231.12518	1.5
232.13303	4.7
233.14258	0.6
234.14856	0.8
240.13860	3.3
244.13252	1.7
246.14911	5.4
247.14420	0.8
248.15016	1.1
251.94978	0.5
256.13449	0.6
258.14877	7.3
259.15085	0.4
260.16473	1.4
261.12714	0.6
261.16107	1.5
273.15952	1.0
275.17532	6.6
285.16055	0.7
286.14297	1.2
286.17184	2.1
287.14963	1.1
287.17722	2.7
288.14865	1.6
289.15457	8.8
293.21033	1.6
294.37839	0.5
301.15604	1.2
302.16345	0.6
303.17017	61.5
304.17282	1.8
306.15668	0.5
308.09186	0.9
315.17151	0.8
317.18573	2.9
318.18652	0.6
329.18774	0.8
333.18094	1.1
340.15286	0.7
347.16183	0.6
361.17542	7.6
413.20798	1.0
414.18860	3.7
416.20792	0.7
427.22028	0.6
431.21777	20.5
432.22086	0.9
435.21274	0.7
489.22278	1.3
490.23346	29.4
491.23730	1.9
618.28070	100.0
619.28290	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	618.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05057	0.9
50.82074	1.0
51.02388	1.2
59.07653	1.1
65.03943	2.5
69.82031	2.4
69.82398	2.0
78.04764	1.0
79.05484	3.7
87.04464	9.3
91.05479	28.6
91.06054	1.5
93.07034	11.1
95.04967	2.8
95.08648	1.3
95.19352	1.1
103.05512	1.3
105.04539	2.2
105.07027	10.6
107.04968	1.9
109.06529	8.2
117.06928	1.3
119.06060	5.0
119.08607	2.8
121.06506	97.2
122.06842	1.8
123.08067	5.0
125.06044	1.1
133.06508	2.2
135.08052	26.7
139.07545	3.8
147.08040	3.8
149.09625	2.6
150.06786	3.6
151.07549	33.1
159.08087	1.9
161.09647	2.8
163.07599	3.2
165.09157	5.4
173.09665	1.4
175.07674	1.1
177.09109	3.5
189.09210	2.0
203.10712	1.6
210.10397	1.3
215.10696	3.2
225.12724	1.4
227.10739	1.5
238.09990	1.5
239.10709	1.4
240.11461	2.5
241.12270	1.2
252.11455	1.3
253.12155	3.0
254.13071	2.7
255.10110	1.3
255.13870	2.0
259.09689	1.4
267.10193	1.1
267.13831	1.6
269.11581	1.6
270.12564	1.3
277.21536	1.0
282.12622	2.2
283.13251	1.8
285.14847	89.7
286.15155	2.2
310.12003	3.5
311.12653	1.6
315.15964	3.2
323.16455	1.5
336.17719	3.9
361.17892	5.8
375.19437	3.1
431.18533	12.9
445.19763	1.5
476.31491	1.3
555.27289	7.1
583.26868	100.0
584.27344	6.0
598.45605	1.4
618.42938	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	618.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91875	1.0
55.05502	1.2
57.07068	3.9
57.57808	1.2
65.03951	1.4
69.22717	5.2
72.94310	1.0
77.03947	1.4
79.05493	6.1
81.07062	1.3
84.08121	4.0
87.04472	34.8
87.05009	1.7
89.05995	1.2
91.05482	10.8
93.07042	1.8
95.04970	2.1
95.08589	1.3
98.23524	2.1
103.05466	4.5
105.04496	1.0
105.07028	19.4
107.08604	1.6
108.05690	1.1
109.06534	1.8
119.08582	1.0
120.05682	3.2
120.93800	1.0
121.06502	23.5
123.08035	4.0
124.38400	1.0
133.06503	2.5
135.08055	67.4
136.08417	1.6
137.05977	4.2
138.12727	1.3
139.07552	1.4
145.06424	1.8
147.08037	4.6
148.08812	2.5
149.05984	2.3
149.09634	2.6
150.06718	2.3
151.07553	45.8
152.07971	1.7
159.08047	1.6
163.07552	14.9
165.09138	6.0
175.07576	1.1
177.09067	5.4
184.46858	1.0
189.09062	2.5
199.38348	1.1
207.11766	1.7
209.09624	1.3
210.14848	1.5
215.10732	3.9
216.11382	1.6
217.87782	1.0
219.12105	1.3
233.19115	1.3
238.09906	2.6
239.10599	1.8
240.11436	3.0
241.12201	3.1
250.31107	1.1
253.12196	3.6
254.13045	2.6
255.13751	1.4
267.13748	1.4
269.11633	1.8
270.12326	1.9
277.21646	2.0
283.13361	1.4
285.14850	64.6
286.15103	3.0
310.11917	2.7
336.17935	8.4
355.15228	1.2
361.17947	5.3
375.19363	3.2
417.16885	2.6
431.18527	10.7
432.19107	1.4
555.27466	8.9
556.27222	1.4
583.26892	100.0
584.27240	8.3
618.42908	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
56.92519	0.7
65.03955	0.8
67.05491	2.7
69.07073	0.6
79.05489	2.9
81.07052	2.1
83.04945	0.9
91.05480	9.5
93.07037	2.0
95.04964	1.6
95.08603	2.8
104.10703	0.7
105.04485	1.0
105.07029	2.3
106.04180	1.0
107.08600	0.7
108.05744	1.5
109.06510	0.9
118.30107	0.6
119.04938	1.0
121.06507	26.9
123.08082	11.5
123.64529	0.6
125.06036	0.9
128.40581	0.7
135.04424	1.6
135.08069	2.9
137.05968	1.3
138.06737	1.7
139.07533	8.1
141.07047	0.9
149.05992	0.8
149.07095	2.8
150.06770	8.3
151.07541	100.0
152.07889	2.0
153.05450	2.0
155.08504	1.0
158.07327	0.9
163.07509	0.9
165.06981	0.8
165.09128	10.9
167.07040	1.0
170.02441	0.7
179.08582	0.9
182.07222	0.9
183.08060	2.3
185.57802	0.7
186.06734	1.5
193.10228	0.8
195.07954	1.1
196.08829	1.0
197.09634	2.9
200.08350	1.3
203.05380	0.7
208.08899	1.4
209.09682	2.2
210.06685	1.0
210.10472	0.7
211.07527	3.4
212.08228	0.9
215.10686	3.0
223.11182	1.2
224.08318	1.6
225.09145	6.9
226.09767	4.1
227.06937	1.4
227.10622	2.5
228.07799	6.2
237.09074	1.0
238.09969	1.3
239.07076	1.7
239.10680	4.2
240.11314	1.1
241.08612	1.9
241.12299	4.4
242.09315	2.9
242.12993	4.9
243.10165	30.3
244.10535	1.1
253.08594	30.7
253.12408	1.3
254.09413	3.7
255.06416	0.9
255.07439	0.9
255.10173	9.4
256.10904	1.7
257.11707	2.7
267.10168	23.5
268.10629	1.6
269.11719	19.5
270.08890	5.7
270.12476	21.5
271.09723	1.9
271.13278	8.1
283.01920	9.7
283.13126	1.1
284.02307	3.7
285.11209	41.3
286.11740	4.8
287.12711	2.3
299.12708	1.5
301.14352	34.7
302.15100	34.1
303.15695	2.5
317.13931	3.2
336.26141	1.9
408.77667	0.9
417.16763	1.5
555.23694	6.6
556.24207	0.9
569.24713	1.5
587.26221	11.3
618.27496	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	618.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.05021	1.5
56.96565	4.1
57.03426	0.7
58.06593	0.8
60.07881	0.3
60.08169	5.8
67.05510	2.4
69.07063	0.9
69.62589	1.4
70.06612	0.5
71.07375	5.1
72.08150	1.2
72.96060	0.5
76.97710	0.3
79.05528	0.7
81.07061	2.2
83.08637	0.8
86.09703	22.1
87.91237	0.3
91.05437	0.4
93.07035	0.5
95.08633	1.1
97.96828	0.4
98.23613	0.3
102.92599	1.4
104.10741	100.0
105.11089	1.1
112.55750	0.3
118.92114	1.5
121.10162	0.3
124.21006	0.4
125.00018	1.2
128.98607	0.5
136.93124	3.3
154.94165	4.9
162.94629	1.9
172.95262	4.9
175.39528	0.3
176.00983	0.3
177.95973	0.5
180.95726	8.2
181.02657	0.5
190.96347	1.4
194.88515	0.3
198.96799	22.5
203.05530	0.4
210.96721	1.9
216.97850	11.1
216.99855	0.6
221.98442	1.5
228.97801	2.2
236.98351	0.7
239.99443	0.9
240.09967	2.4
244.02763	0.5
254.99419	1.6
258.98889	0.4
282.04251	1.3
283.01877	5.5
283.04727	0.5
300.05240	1.2
304.79956	0.4
314.06656	0.6
317.18018	0.4
319.19437	13.8
320.19830	0.7
337.20499	16.3
337.27411	1.4
338.20862	1.1
360.22122	3.6
375.21939	0.4
439.19473	1.5
443.18716	1.7
455.18930	1.3
468.19162	0.4
473.19739	5.6
483.24643	0.6
496.21869	0.7
499.14569	0.7
499.21384	5.1
502.26083	9.2
502.33121	0.7
503.26569	0.6
542.31921	0.6
558.28674	18.1
559.29108	1.0
618.23566	0.9
618.30896	18.5
619.29388	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	618.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43580	0.3
55.01859	0.4
55.05516	1.6
56.05026	0.8
56.96566	2.5
57.03425	0.9
58.06588	0.7
60.08165	6.4
66.99941	0.3
67.05502	2.3
69.07078	1.5
69.69810	1.1
70.80678	0.3
71.07373	3.3
72.08146	0.7
79.05483	0.9
81.07051	3.1
83.04958	0.4
83.08612	0.9
86.09708	14.7
91.05474	1.0
93.07034	1.2
95.04955	0.4
95.08600	2.1
97.06556	0.3
97.10115	0.4
98.23380	0.7
98.35657	0.4
102.92617	1.0
104.10741	100.0
105.07009	0.8
105.11076	1.0
107.08615	0.8
109.10187	0.6
110.76395	0.3
110.97614	0.4
115.97808	0.3
118.92104	0.6
119.08600	0.7
121.10117	0.5
123.11707	0.5
125.00031	0.4
131.08537	0.4
135.11707	0.3
136.93126	1.8
145.10110	0.5
154.94173	2.8
155.08464	0.4
162.94720	1.2
172.95212	3.2
177.95743	0.6
180.95729	5.8
180.97195	0.6
190.96294	0.9
192.95677	0.4
198.96796	13.4
203.05441	0.4
210.96765	1.5
216.97847	6.3
221.98410	0.9
228.97826	1.7
236.98454	0.5
239.99611	0.5
254.99466	1.0
255.17596	0.6
283.01898	12.7
296.05811	0.4
300.05179	0.6
314.06641	0.6
319.19415	10.2
320.19702	0.8
324.04639	0.5
337.20499	13.1
337.26999	3.1
338.20581	0.4
348.11081	0.5
355.21631	0.4
360.22070	2.1
375.21667	0.4
439.18826	0.5
443.18710	0.8
455.18710	0.7
473.19824	3.1
496.20959	0.4
499.21240	3.0
502.26129	7.1
558.28693	13.5
559.28845	1.0
568.75983	0.3
618.30786	12.7
619.28528	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	618.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
56.20793	0.6
57.07074	0.7
59.04959	0.6
66.23283	0.6
67.05498	2.3
69.03424	2.3
69.07071	3.1
73.14894	0.6
79.05489	2.3
81.03423	1.1
81.07059	23.5
83.08618	1.6
85.02920	4.1
87.00349	1.1
87.00833	13.2
87.04440	0.9
88.07618	0.7
91.05479	1.8
93.07047	3.7
95.04988	1.2
95.08614	10.1
97.02897	49.2
98.03185	0.7
105.01876	6.8
105.06349	1.0
105.07033	12.3
107.08594	7.4
109.10177	4.7
115.03928	1.4
119.08587	11.2
121.10165	4.5
123.11696	1.9
127.03940	1.0
131.08673	0.7
133.10124	8.2
135.11694	7.4
145.10139	4.3
147.11688	37.4
148.12050	0.8
149.02353	15.1
149.03459	0.7
157.10129	1.1
158.09538	0.6
159.11722	1.4
160.12471	1.6
161.13272	9.2
173.13324	0.6
174.14052	0.7
175.14798	1.2
177.05510	0.7
193.04971	21.6
200.78247	0.6
201.03947	18.8
201.16428	1.3
203.17957	100.0
204.18350	3.0
219.04968	4.5
219.06784	0.8
221.19020	1.2
236.07541	1.3
237.07527	5.9
297.03976	1.1
313.07108	1.1
341.06552	4.7
345.08063	4.6
359.07559	2.9
363.09448	1.1
383.23935	0.7
385.09192	8.8
403.21719	0.7
421.22797	0.6
429.11853	26.3
430.12311	1.5
474.92917	0.7
500.30609	0.8
618.29077	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	618.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15055	2.3
57.07094	2.1
58.81260	2.2
70.36469	2.1
71.22104	2.7
78.26656	2.1
78.59034	2.2
79.05493	4.9
87.04480	12.3
91.05476	16.0
93.07063	3.7
95.04980	4.3
105.07034	17.6
107.08601	3.2
108.34037	2.0
114.40556	2.6
121.06509	30.7
123.08059	5.6
135.08072	47.4
137.09624	8.0
139.07559	4.3
147.08043	2.8
148.10867	2.3
150.06769	16.8
151.07550	47.3
165.09113	98.1
177.08998	3.8
179.10681	3.6
182.51953	2.0
193.10117	4.5
195.08098	3.6
207.08197	2.5
208.08948	5.1
209.09653	6.6
210.10388	5.1
223.11238	11.7
224.11960	3.2
225.09122	16.0
225.12746	4.7
226.09911	3.6
236.08243	2.7
237.09097	7.0
238.09932	9.9
239.10689	6.2
240.11525	11.2
241.12140	6.9
251.10612	3.7
252.11499	8.7
253.08633	9.0
253.12256	14.0
254.09439	3.6
255.13718	10.9
257.11734	6.1
267.10196	6.8
268.10962	23.6
269.11713	6.1
270.12323	3.3
283.13300	50.7
284.13943	18.1
285.11252	10.9
285.14844	30.4
286.15555	12.0
300.13544	21.1
315.15915	100.0
316.16663	29.7
317.17355	2.7
336.17987	3.3
500.54562	2.6
512.02332	2.3
601.31213	11.1
618.42365	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01316	0.3
50.01594	0.7
51.02382	1.2
53.00312	0.4
53.03952	3.5
55.01872	4.4
57.03428	1.5
61.02922	1.9
63.47311	0.4
65.03947	2.5
68.99785	1.4
69.03063	0.6
69.03432	11.2
70.06595	0.5
71.04991	1.6
73.02922	2.4
77.03909	0.5
78.69524	0.4
79.05486	2.4
81.03420	17.0
83.01356	0.4
85.02903	16.6
86.09690	0.6
87.00833	7.8
91.03957	0.6
91.05470	0.6
93.03405	1.0
95.04977	0.9
97.02897	6.7
99.04451	3.7
103.05453	1.1
105.01861	4.2
105.03381	1.2
105.04520	0.4
109.02885	10.6
111.04419	1.1
115.05428	2.5
117.01846	1.6
117.07026	1.5
119.04930	1.5
121.02838	1.7
123.04408	1.2
127.03927	14.0
128.06230	1.8
129.01845	1.1
129.06085	0.9
129.07011	11.2
131.04950	1.9
135.04416	100.0
136.04733	1.8
139.03888	1.1
143.04919	3.2
145.04988	3.5
145.06476	1.8
147.02914	0.8
147.04410	3.7
149.02345	78.5
149.03368	3.5
150.02655	1.3
151.03908	4.0
155.04918	0.8
157.06487	12.1
159.02888	6.9
159.04391	2.1
159.08044	0.5
160.05142	0.7
161.05992	1.8
162.75620	0.4
163.03885	3.1
165.05487	0.4
171.04416	2.7
173.05957	5.7
175.03944	0.7
175.07578	1.5
177.05460	4.3
179.03374	0.5
183.04492	0.5
185.06010	3.4
186.06717	0.5
187.07549	12.6
189.05469	5.9
189.07071	0.5
191.08521	1.9
201.05470	24.9
202.05841	0.5
203.06981	4.3
207.08105	0.6
213.03815	0.5
213.05545	2.2
215.06970	0.7
219.06122	2.6
219.08342	4.0
226.91379	0.5
231.06569	21.5
233.07971	0.5
235.07536	1.7
247.07568	4.5
249.07262	4.5
255.06435	0.5
259.07599	3.6
261.09131	0.6
262.06284	1.1
263.06995	1.1
265.08633	1.5
267.06317	0.5
275.07010	2.6
277.08600	9.0
278.08832	0.5
280.07373	1.2
281.04434	1.7
282.05167	3.8
283.05804	0.4
287.07053	2.4
290.05728	0.7
293.08105	2.9
295.06064	0.6
295.09576	0.7
305.08102	9.3
307.09610	4.0
307.55365	0.4
308.06613	0.6
317.08060	4.9
323.05740	0.4
323.09134	13.1
335.09116	18.4
336.09738	0.7
337.10715	2.0
339.97809	0.4
341.10205	3.2
353.10199	53.9
354.10580	1.8
355.11719	3.9
371.11249	30.3
372.11603	1.0
619.18585	0.6
619.28754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03944	3.0
55.01878	4.5
57.03436	1.5
61.02929	1.5
65.03940	3.2
67.05486	0.5
68.99789	1.8
69.03429	10.1
69.28943	0.8
69.29337	1.0
71.01331	0.4
71.04983	1.3
73.02927	2.4
77.03928	0.4
79.05493	1.0
81.03418	53.5
81.07066	0.5
82.03763	0.7
85.02906	21.3
87.00829	9.5
89.74444	0.4
91.03952	0.5
91.05499	0.7
93.03400	0.7
93.07034	0.5
95.04959	0.9
95.08604	0.6
97.02892	7.9
98.22733	0.9
99.04452	4.7
103.05476	0.9
105.01861	4.5
105.03380	0.8
105.04475	0.4
105.07047	0.8
107.04984	0.6
109.02883	10.3
111.04470	0.7
115.05437	2.3
117.01852	1.0
117.07045	1.0
119.04939	1.3
121.02866	4.1
123.04428	0.9
124.93851	0.4
127.03917	15.2
128.06207	2.4
129.01848	1.3
129.06998	9.4
131.04921	1.8
135.04416	55.3
136.04761	0.9
136.07475	0.4
139.03896	1.2
143.04941	2.8
145.04968	5.0
145.06461	1.4
145.10069	0.4
147.02972	0.8
147.04420	2.0
147.11707	0.5
149.02341	100.0
149.03365	4.7
150.02678	1.4
151.03871	2.1
155.04930	0.7
157.06494	13.4
159.02887	5.4
159.04424	2.2
160.05205	0.4
161.05971	1.5
163.03902	4.7
165.05525	0.7
171.04434	2.0
173.05977	3.5
173.09616	0.4
175.03938	0.7
175.07544	0.7
177.05516	1.5
183.04376	0.9
185.05997	2.4
187.07550	9.5
189.03828	0.6
189.05463	5.3
189.06995	0.6
191.08531	0.9
193.04987	0.6
201.05469	13.1
202.07692	0.4
203.07030	44.1
204.07397	1.0
213.03880	0.3
213.05550	3.0
217.06618	0.5
219.06221	2.6
219.08080	1.9
224.04745	1.0
231.06555	27.6
232.06708	0.6
235.07448	1.1
247.07535	2.5
249.07472	4.5
259.07556	3.7
261.09036	0.7
262.06238	0.5
263.07074	0.9
265.08594	1.1
275.07080	1.8
277.08572	2.7
280.07272	1.0
281.04318	2.4
282.05267	9.0
287.06995	2.7
289.08591	0.5
293.08133	2.2
305.08066	4.4
307.09625	2.8
310.52643	0.4
317.08090	7.5
320.06763	0.5
323.09116	9.5
335.09116	22.7
336.09424	0.7
337.10730	2.7
341.10193	5.9
351.08536	0.5
353.10196	41.1
354.10550	1.8
355.11734	5.0
371.11255	14.9
372.11469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
67.05531	1.3
72.02145	1.0
77.03934	1.2
79.05489	3.0
81.07048	2.2
84.08132	1.6
91.05495	4.1
94.04200	4.5
95.04981	3.7
103.05490	1.8
103.19744	1.1
105.03395	11.1
105.07027	13.3
107.04944	1.5
109.06509	3.0
115.05447	2.9
121.06525	5.9
122.03659	8.1
128.06244	1.7
133.06505	8.0
135.08040	4.0
137.05980	88.2
146.03635	2.4
149.05923	1.3
150.06758	1.4
151.07593	5.0
161.05984	59.8
165.09131	3.0
165.56201	1.1
169.02699	1.4
171.08058	1.5
175.07654	1.6
184.04999	21.9
191.08521	1.4
199.07558	24.1
202.07796	8.4
203.08566	19.5
204.09326	1.8
205.06525	1.3
213.06961	2.0
215.08463	1.4
219.08144	5.0
220.08878	7.2
221.09752	1.5
230.07310	1.9
231.08052	35.8
232.08846	8.5
237.09091	1.5
247.07579	4.1
248.08336	18.7
249.09070	1.8
258.06750	4.2
259.07565	28.7
260.08328	22.1
261.08923	2.4
262.09836	1.5
263.10684	17.2
275.07074	3.5
276.07803	13.8
277.08646	5.0
285.14755	1.7
290.09433	1.3
290.60672	1.5
291.10150	100.0
292.10797	7.7
293.08099	3.1
295.13300	1.9
308.10483	3.3
323.12775	79.1
324.13211	2.6
337.18555	1.5
345.10965	59.1
386.13788	2.5
445.16739	1.9
452.97867	1.1
467.14819	13.8
619.37195	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	619.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13239	7.0
79.05494	3.6
81.07069	2.2
91.05486	3.4
94.04205	3.7
95.04969	3.7
98.23494	2.6
103.05486	2.4
104.10722	1.4
105.03403	9.9
105.07032	9.9
107.04920	1.4
107.73479	1.1
109.06548	3.1
115.05459	4.6
121.06491	5.2
122.03675	7.2
131.04871	1.9
133.06493	7.3
135.04459	1.9
135.08092	3.3
137.05971	91.5
146.03645	4.4
149.06049	1.8
150.06787	1.1
151.07520	4.8
159.08188	1.2
161.05975	61.9
165.09100	1.9
167.04939	1.2
171.08028	1.9
175.07527	1.5
184.04967	18.2
185.67345	1.3
191.08527	1.4
199.07530	22.3
202.07768	7.4
203.08566	20.6
219.08080	4.1
220.08839	7.0
230.07294	1.6
231.08044	33.2
232.08780	7.6
233.09656	1.2
235.07565	1.3
235.11165	2.0
245.09688	1.7
247.05212	1.7
247.07603	3.8
248.08292	18.5
249.08904	2.1
258.06781	2.7
259.07562	26.8
260.08298	19.6
261.09158	2.2
262.09912	1.9
263.10706	13.5
270.11945	1.2
275.06909	3.5
276.07867	11.0
277.08661	5.2
280.10791	1.1
285.14932	2.2
291.10141	100.0
292.10742	10.7
293.07870	1.1
295.13312	2.6
299.95380	1.0
301.14487	1.4
308.10315	2.8
323.12769	80.7
324.13068	2.3
345.10941	57.7
346.11356	2.6
366.90604	1.2
386.13556	3.3
445.16080	1.4
467.14667	15.3
496.16339	1.2
618.42096	1.6
619.37976	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	619.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76843	1.2
67.05502	2.2
67.25088	1.2
69.07065	1.6
69.44797	6.2
79.05471	2.1
81.07054	1.9
83.08637	1.9
91.05486	3.2
93.07050	2.8
95.08591	1.9
107.08589	2.0
110.71065	1.3
117.54562	1.3
119.08553	1.5
121.10149	2.2
145.10092	2.5
219.51227	1.4
311.25690	2.2
346.63904	1.6
389.29193	1.4
442.17517	1.4
493.33493	1.5
619.36401	100.0
620.36823	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	619.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35257	0.3
53.03947	0.3
55.05515	2.4
57.03440	1.0
57.07081	0.3
61.83291	0.3
61.83636	0.3
63.24453	0.3
64.37189	0.3
67.05505	3.2
69.03451	0.4
69.07069	1.8
69.12593	0.6
69.12988	1.2
71.04984	0.6
71.08637	0.4
72.15559	0.2
74.45049	0.3
76.72762	0.3
79.05496	2.3
81.03419	0.9
81.07060	4.0
82.94066	0.3
83.04990	1.1
83.08620	2.5
85.02909	1.1
85.06516	0.5
91.05481	2.8
93.07048	2.9
94.07388	0.3
95.04996	1.4
95.08604	2.4
96.05336	0.3
97.06550	0.9
97.10184	0.4
98.20846	0.3
98.23605	0.3
99.08107	0.3
101.27694	0.3
104.10734	1.3
105.07030	3.4
106.07365	0.5
107.05011	0.4
107.08586	2.5
108.08941	0.5
109.06539	0.8
109.10174	0.9
110.13339	0.3
111.08105	0.6
117.07060	0.5
119.08576	2.5
120.08939	0.6
121.06528	0.4
121.10133	1.9
123.08072	0.7
123.11697	0.4
125.09678	0.4
128.06241	0.4
129.07037	0.8
131.08580	1.6
133.10114	2.1
134.10443	0.4
135.08005	0.4
135.11726	0.8
137.43036	0.3
139.11226	0.4
141.07036	0.4
142.07814	0.5
143.08582	1.1
145.10184	1.7
147.11678	1.1
149.09677	0.6
155.08591	0.4
155.10712	0.4
156.09282	0.3
157.10170	1.8
158.10452	0.6
159.08018	0.3
159.11687	0.8
160.08655	0.3
161.09555	0.4
163.11253	0.4
169.10152	0.6
170.10532	0.5
171.11739	1.0
173.09694	0.3
175.11209	0.5
179.08539	0.3
181.12332	0.5
183.11646	0.5
185.13278	0.6
187.14870	0.4
193.10158	0.4
195.11661	0.8
196.12251	0.5
197.13239	0.9
208.12352	0.4
209.13127	0.4
210.13715	0.4
211.14885	0.5
223.14775	0.5
233.15421	0.8
234.15813	0.7
235.14754	0.3
237.35751	0.4
238.16991	0.3
251.12617	1.3
255.17548	0.5
283.01871	4.2
305.06073	0.3
307.15259	1.2
335.21957	6.2
335.25961	0.3
337.27484	0.7
383.26053	0.5
391.24554	3.9
601.36749	0.3
611.62311	0.3
619.38129	100.0
620.30176	0.2
620.38458	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	619.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
57.03437	0.9
57.62188	0.5
60.96753	0.4
61.82469	0.4
67.05505	3.9
69.07074	1.6
70.14204	1.1
72.57700	0.4
79.05492	2.9
81.03442	1.3
81.07064	3.2
83.04980	0.8
83.08627	1.7
85.02932	1.4
91.05480	2.3
93.07071	2.0
95.04979	1.4
95.08617	3.0
98.23339	0.7
105.07034	2.6
107.08627	1.3
109.06526	0.5
109.10185	0.9
112.27167	0.4
119.08624	1.7
121.02896	0.7
121.10157	1.8
123.08069	0.6
125.09624	0.5
129.03419	0.5
130.75223	0.4
131.08655	0.6
133.10173	1.0
135.11732	0.5
142.07767	0.7
143.08614	0.5
147.04434	0.9
147.11670	0.8
157.10155	0.5
175.11192	0.7
177.69534	0.4
179.07065	0.5
197.37508	0.4
213.48091	0.5
221.79691	0.5
251.12572	0.9
261.28729	0.4
283.01923	5.9
307.15228	1.3
316.34650	0.5
335.21960	5.8
337.27493	1.2
362.23700	0.5
391.24481	3.1
519.29645	0.6
537.29858	1.0
619.38153	100.0
620.38635	6.1
620.48016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.07052	1.0
58.91412	0.8
67.05504	3.4
69.07073	2.7
69.11771	5.7
79.05484	1.9
81.03398	1.1
81.07048	3.7
83.05005	1.0
83.08633	1.6
87.04462	1.1
91.05496	1.5
93.07049	1.4
95.04962	1.3
95.08607	2.4
107.08569	2.0
109.10144	2.3
166.37935	0.9
167.35277	1.1
269.64886	1.0
283.15173	13.0
337.27231	1.0
339.17883	3.4
545.04156	1.0
619.41827	100.0
620.42004	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	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22934	0.2
54.26772	0.2
55.01865	0.5
56.96559	0.6
58.67855	0.2
65.03943	0.6
69.03426	0.9
69.11841	1.8
70.06588	0.3
71.04978	0.3
73.02921	0.3
79.05484	0.9
81.03415	0.7
81.07041	0.9
84.08117	0.3
85.02914	2.5
85.03381	0.4
87.00828	1.0
91.05479	8.1
93.07029	0.6
95.04965	0.6
97.02905	0.8
99.04471	0.4
103.05479	0.4
105.01871	2.5
105.07043	2.6
106.69786	0.2
109.02868	0.9
115.05454	0.6
117.07009	2.8
118.21704	0.2
119.04947	6.4
119.08586	1.5
121.06512	4.1
127.03922	2.3
129.06970	1.5
131.04944	0.6
131.08578	0.4
133.06494	20.4
133.10109	0.5
134.06851	0.4
136.11176	0.4
137.05981	3.2
137.42087	0.2
141.45824	0.2
142.07751	2.1
145.04965	1.0
145.10114	0.3
147.08049	0.5
147.11696	0.9
157.10127	15.6
158.10487	0.3
158.27875	0.2
159.02841	0.5
160.08853	1.1
175.11191	100.0
176.11566	2.1
186.73964	0.2
213.03970	0.3
222.14745	0.4
231.05029	1.4
249.06186	1.4
290.00998	0.3
292.19147	0.6
309.04245	0.3
320.18524	0.5
321.04233	0.4
327.05698	0.3
333.04431	0.3
335.05804	0.4
339.05450	0.5
340.14926	0.3
345.04260	0.3
351.05374	1.4
353.07135	0.3
357.06305	0.7
363.05408	1.2
369.06464	0.7
381.06412	2.5
386.79761	0.2
399.07516	3.5
404.07980	0.3
411.07471	0.7
417.08408	0.4
441.08517	2.1
458.21542	0.5
501.10507	3.1
576.13239	0.3
576.40552	0.5
603.14435	0.3
620.26581	3.2
621.15918	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02229	0.2
53.03946	0.2
55.01870	0.4
65.03927	0.6
69.03420	0.6
69.89389	0.8
70.06563	0.2
76.37620	0.2
79.05482	0.8
81.03401	0.3
81.07064	1.4
85.02911	3.1
87.00819	0.9
89.94373	0.2
91.05479	6.6
94.01472	0.2
95.04996	0.4
97.02862	1.0
99.04441	0.3
103.05466	0.5
105.01853	1.9
105.07019	2.5
105.14840	0.2
107.04939	0.4
109.02882	0.3
115.05459	0.6
117.07025	2.4
119.04944	6.8
119.08578	1.4
121.06506	4.1
127.03899	1.2
129.07011	1.1
131.08542	0.3
133.06488	19.1
133.10107	0.4
134.00771	0.2
134.06871	0.3
136.11168	0.3
137.05984	2.8
141.07033	0.2
142.07771	2.3
145.04958	0.7
145.06459	0.3
145.10150	0.4
146.07318	0.3
147.08022	0.3
147.11699	0.9
157.10123	15.1
158.10562	0.4
159.02861	0.3
160.08839	1.2
175.11183	100.0
176.11517	2.6
231.04977	1.0
249.06038	1.5
435.29449	0.3
503.00705	0.2
620.28784	0.6
621.20764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05492	0.1
65.03936	0.6
69.03420	0.4
69.61082	0.5
70.11576	0.1
70.52393	0.1
71.04994	0.2
77.03913	0.1
79.05490	0.7
81.03409	0.2
81.07058	1.0
84.65066	0.1
85.02895	0.6
86.21758	0.1
87.22694	0.1
91.05478	6.4
93.07022	0.2
95.04961	0.4
95.59125	0.1
96.83247	0.1
97.02887	0.3
98.23466	0.3
103.05476	0.3
105.01867	0.2
105.07030	2.0
107.04976	0.2
115.05460	0.6
117.07016	2.0
119.04938	5.5
119.08550	1.0
121.06504	3.7
127.03855	0.2
128.06187	0.2
129.06985	1.1
131.08578	0.5
133.06485	18.1
133.10121	0.4
134.06821	0.3
137.05965	2.3
141.07021	0.2
142.07771	2.2
145.04926	0.1
145.10245	0.1
147.08043	0.6
147.11656	0.8
157.10120	15.5
158.10434	0.3
160.08803	0.8
174.46526	0.1
175.11177	100.0
176.11517	2.4
180.08731	0.1
199.42551	0.1
337.16309	0.1
337.26981	0.1
645.73352	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	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05527	0.2
57.03432	0.2
65.03926	0.5
66.28040	0.2
69.03424	0.4
71.04993	0.2
77.22263	0.1
79.05484	0.8
81.03418	0.3
81.07057	1.0
85.02892	0.9
91.05479	5.9
93.07027	0.3
95.04945	0.2
97.02875	0.4
103.05465	0.4
105.04487	0.2
105.07030	2.6
107.04914	0.2
107.08575	0.2
115.05448	0.7
117.07026	2.4
117.93114	0.2
119.04943	5.4
119.08575	1.4
121.06506	3.5
127.03870	0.3
128.06216	0.2
129.07004	1.2
131.08546	0.5
133.06490	18.4
133.10117	0.5
134.06758	0.2
136.06145	0.2
136.11198	0.2
137.05983	2.7
141.07007	0.4
142.07762	2.2
145.04988	0.2
145.06387	0.2
145.10196	0.2
146.07240	0.3
147.04436	0.4
147.08037	0.6
147.11710	0.9
153.32439	0.1
157.10126	14.8
158.10486	0.4
160.07654	0.2
160.08833	0.9
175.11183	100.0
176.11560	2.1
185.30995	0.1
240.08330	0.1
292.19638	0.1
377.26111	0.2
411.21246	0.2
418.22806	0.2
610.85950	0.2
621.20850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01862	1.6
61.02923	6.6
64.41070	1.1
67.05511	3.1
69.41274	1.0
75.04324	1.1
77.03925	1.3
79.05478	1.9
81.03417	1.4
85.02905	3.8
91.05470	4.4
92.14262	1.3
95.04972	57.1
97.02930	1.7
97.06594	1.2
98.59603	1.3
103.05475	6.0
104.86323	1.2
105.04509	5.5
107.04963	4.0
109.06520	1.4
111.15395	1.0
114.34518	1.2
117.81048	1.2
119.04932	6.6
121.06479	2.1
123.04430	67.7
127.07574	1.4
131.04927	18.3
133.02847	11.3
135.04420	2.1
137.05974	12.0
139.07542	1.7
140.04674	16.1
147.04425	8.7
149.05991	4.2
151.03911	1.9
151.07529	3.2
155.07033	42.0
156.07571	1.5
160.31667	1.1
161.05963	1.8
163.03888	4.3
163.07530	16.8
165.05464	4.8
167.07043	50.2
168.07341	2.0
177.05466	3.5
179.07039	10.8
182.92911	1.2
183.06532	100.0
184.06935	2.5
195.06535	13.0
207.06555	4.5
209.08067	2.9
225.07582	65.8
226.07925	1.5
227.09073	4.2
233.08138	2.7
243.08617	14.4
250.74677	1.4
251.09111	1.9
296.18408	3.0
373.12762	2.4
375.14447	3.3
387.14404	1.7
529.31592	1.4
620.21246	2.8
620.30341	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71028	2.2
69.03426	18.5
69.42152	8.3
73.26518	2.0
79.05521	2.0
85.03572	1.7
91.05482	17.7
95.04978	5.1
101.19499	1.6
104.10806	1.7
105.04488	1.7
105.07002	2.6
108.05734	2.0
121.06506	30.9
121.07334	2.8
123.08061	9.8
123.65465	1.9
131.04988	2.5
138.31870	1.9
139.07556	9.4
149.07140	2.8
149.25557	1.7
150.06761	5.7
151.07541	58.6
155.07054	5.9
161.05978	5.2
165.06932	2.6
165.09175	6.1
167.08504	3.2
171.08186	1.9
175.07591	2.8
177.09108	6.0
178.07843	5.0
178.87067	1.9
179.08604	4.5
181.10097	2.5
187.68610	1.8
188.08380	2.4
189.09106	3.1
191.10771	3.7
193.10164	8.0
195.08113	5.7
196.08960	2.4
200.08501	2.0
201.09221	2.7
203.10495	3.7
206.07344	2.4
207.08115	3.9
209.09627	8.1
210.10431	7.3
211.07552	6.3
211.11237	5.4
212.08276	3.0
213.09117	3.1
221.09644	5.5
222.10394	4.4
223.07440	4.4
223.11099	3.0
224.08324	5.4
225.09187	3.1
225.12822	5.6
226.09941	9.8
227.10699	5.2
227.89113	2.1
229.08656	5.2
231.10150	3.2
233.11812	3.1
237.09126	3.6
238.09859	9.5
239.06981	3.7
239.10678	40.2
240.07790	3.2
240.11336	3.7
241.08498	2.9
241.12343	8.0
243.10321	3.0
244.10941	2.3
245.11646	8.6
253.12274	27.5
254.09395	7.2
254.13019	100.0
255.10120	13.8
255.13670	7.0
256.10736	3.3
257.08047	5.6
258.08936	2.1
259.13309	47.2
260.13705	2.1
267.10104	3.1
269.11713	74.1
270.12451	22.6
271.13269	5.4
273.11157	18.1
281.11694	3.8
282.08801	4.9
285.11182	4.9
287.12802	39.2
297.11246	23.5
313.10831	2.3
315.12216	19.7
353.14172	2.2
363.12259	2.7
373.14227	3.3
379.51666	1.8
415.15332	3.3
416.16257	3.2
433.15942	2.2
519.18164	3.5
525.22882	8.7
543.23718	4.3
549.22650	16.4
557.25366	27.5
558.26013	2.3
567.23785	81.5
568.24243	6.9
585.24817	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	620.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01870	2.4
55.05506	7.6
57.03435	1.7
61.02933	1.9
65.03947	1.9
67.05502	4.9
68.99791	21.1
69.03426	10.9
69.07078	10.1
71.04988	3.2
73.04427	1.4
79.05502	4.3
81.03413	18.1
81.07047	10.4
83.04961	7.2
83.08613	5.3
85.02904	16.4
86.03203	1.7
86.06055	3.7
87.04457	2.4
91.05495	8.6
93.03396	2.3
93.07056	13.2
94.06587	1.8
94.48612	1.5
94.65755	1.5
95.04975	3.4
95.08603	31.7
96.08112	1.6
97.02331	2.5
97.02899	26.1
97.06541	2.9
97.10173	3.0
99.04385	2.9
99.08100	5.8
105.07019	9.7
107.04962	1.8
107.08594	31.1
109.02876	50.5
109.06506	2.3
109.10154	9.8
111.04451	13.3
111.08101	4.1
113.05991	2.8
115.03957	2.5
116.10729	5.9
118.59552	1.5
119.08596	5.6
121.02876	4.1
121.10148	45.7
123.11691	5.1
125.09647	3.5
127.03922	38.7
131.08601	2.6
133.10112	4.2
135.11693	12.3
135.47905	1.4
137.13278	3.7
139.03905	74.0
141.50304	1.4
142.07666	2.2
142.08681	3.2
142.41116	2.0
145.04942	13.1
145.10153	7.8
149.13257	3.9
154.08742	1.7
157.04974	17.0
157.10129	1.6
159.11684	3.0
163.11288	1.5
165.01808	2.7
173.09608	2.9
175.11189	2.8
175.14751	4.2
176.15131	1.5
177.16389	100.0
178.16664	2.1
187.11186	3.1
189.09187	4.1
195.17409	9.1
205.12241	5.7
212.16455	3.7
213.18475	2.0
215.10712	6.3
229.03539	4.3
230.17619	2.1
232.17081	2.1
233.11676	3.2
247.04478	9.4
250.43471	1.8
283.08127	3.4
285.18478	2.1
289.05518	3.0
344.24371	5.9
355.06671	9.1
373.07632	45.2
411.10883	1.5
461.29156	1.5
531.91473	1.8
620.24335	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	620.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.9
56.96563	3.0
58.06593	1.1
60.08160	6.0
62.87138	0.5
65.43661	0.4
67.05502	1.0
69.07061	0.6
69.61917	1.7
71.07368	3.7
72.08157	0.7
79.05480	0.5
83.08614	0.5
86.09189	0.8
86.09703	14.0
92.66785	0.4
95.08596	0.5
95.76570	0.5
102.92609	1.0
104.10740	100.0
105.11057	1.1
114.69860	0.5
118.92070	0.5
125.00038	0.5
136.93094	2.1
140.10695	0.5
154.94144	2.9
157.00793	0.5
162.94720	1.3
172.95235	3.0
180.95718	8.2
190.96321	1.4
198.96788	20.1
210.96790	1.3
216.97845	8.7
221.98383	1.8
228.97861	2.1
239.99388	1.1
240.09908	0.9
249.15788	0.6
254.99461	1.3
283.01987	2.7
321.20944	4.1
339.22046	9.1
339.28680	1.0
357.22873	0.5
362.23657	0.9
445.20197	0.9
475.21307	3.1
501.22711	2.6
504.27563	5.3
560.30243	11.8
620.32202	15.4
621.31042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.05029	1.1
56.96558	2.4
58.06592	0.7
60.08163	6.3
65.98981	0.5
69.07071	0.9
71.07370	4.2
72.08154	0.9
79.49949	0.4
81.07031	1.2
86.09704	19.8
95.08611	1.0
101.71690	0.5
102.92603	0.8
104.10740	100.0
105.11071	0.7
109.10120	0.6
118.92079	0.8
121.10131	0.4
123.70635	0.5
125.00000	1.1
136.93103	3.5
154.94150	5.1
162.94598	2.5
172.95210	4.9
180.95709	10.7
190.96280	1.5
195.96828	0.9
198.96788	28.4
203.97328	1.1
210.96721	2.4
216.97826	13.0
216.99863	0.7
221.98381	2.1
228.97760	3.2
239.99516	0.7
240.09903	1.4
243.19917	0.4
254.99438	1.8
282.04156	0.9
283.01974	1.0
300.05215	0.9
308.91388	0.5
318.94440	0.5
321.20969	5.2
339.22086	11.8
357.23038	0.8
362.23517	1.3
445.20367	1.7
457.20126	0.6
459.21683	0.6
463.21201	0.6
475.21332	5.4
498.23019	1.0
501.22873	4.5
504.27588	7.6
544.33533	0.7
560.30267	14.2
620.32263	19.9
621.32520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
57.07078	68.1
59.04997	1.1
65.03928	0.5
68.64270	0.4
69.03426	0.7
69.07071	0.7
69.44263	1.2
69.44665	1.0
69.82045	0.5
71.08644	1.8
73.02956	0.4
73.06551	2.0
77.03958	1.3
79.05482	1.2
81.07057	0.9
83.08614	0.5
85.04917	0.4
87.04473	16.7
89.06034	100.0
90.06384	0.4
91.05475	7.6
91.07632	0.6
93.07045	7.4
95.04983	3.3
95.08585	0.8
103.05492	1.8
105.04527	1.3
105.07035	2.8
107.04971	1.4
107.07092	2.1
107.08634	2.3
109.06551	1.0
109.10173	0.4
113.13284	1.2
117.07044	1.8
117.09116	0.6
118.07800	4.8
119.04951	4.5
119.08580	5.5
121.06513	28.0
121.10131	1.6
122.06837	0.5
123.08063	1.2
129.07065	0.6
130.08643	2.2
131.07047	8.3
131.08556	0.6
133.08609	63.6
134.08922	1.1
135.08051	4.5
135.10039	0.5
135.11716	2.0
145.10071	0.6
147.06876	0.7
147.08051	14.2
149.09624	5.5
149.13321	0.9
150.06760	3.1
159.11716	1.8
161.11803	0.5
162.54919	0.4
163.11182	2.9
165.09125	12.7
167.10660	2.1
173.09598	0.9
175.09695	4.7
175.11092	0.7
177.11238	27.8
177.12704	2.3
191.10663	3.8
193.12198	1.1
209.11720	6.3
211.13286	3.3
217.12239	0.7
219.12315	1.1
221.13864	6.5
233.19003	23.4
234.19328	1.0
235.13271	2.8
239.14812	1.2
253.14413	1.6
255.15976	2.4
259.20642	3.3
264.03583	0.4
265.16409	1.4
271.15341	0.7
275.23688	1.2
277.21634	31.8
278.21960	1.6
279.15848	2.6
283.17554	2.5
297.16879	0.7
299.18512	1.0
303.23160	3.0
309.19189	0.9
315.18073	1.0
321.24246	11.7
322.24646	0.5
323.18103	0.5
327.20111	0.7
341.19495	0.7
343.21405	0.6
353.21625	0.7
359.20709	1.0
365.26794	0.8
385.22708	0.5
403.23148	1.2
447.25906	0.6
491.28552	12.2
515.35687	1.1
559.38287	1.3
603.41022	23.7
604.40820	1.8
620.37860	8.4
620.43616	5.5
621.39386	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	620.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01873	1.6
55.05510	5.6
55.29845	1.0
56.05036	3.1
57.03440	1.8
57.07065	2.3
60.04521	2.6
67.05511	13.4
69.03422	4.1
69.07073	5.4
70.06596	1.3
71.04992	2.1
79.05500	14.3
80.05008	3.4
81.03420	3.4
81.05797	1.7
81.07058	12.5
82.06577	3.9
83.08598	2.6
83.30455	1.1
85.06539	1.4
87.04470	2.8
91.05468	8.1
93.07048	20.3
94.06576	18.2
95.04964	3.7
95.08615	23.2
96.08138	2.7
97.06541	3.8
97.10191	2.4
104.10738	5.8
105.07031	11.5
107.07352	2.9
107.08595	1.7
109.10153	1.8
110.09689	10.8
111.08092	12.8
122.09669	34.3
122.10550	1.8
123.08077	27.7
128.10727	30.3
136.98520	0.9
140.10707	100.0
141.09119	11.6
141.11003	1.9
144.24806	1.0
151.42120	0.9
158.11780	7.9
198.96815	1.4
219.42953	1.0
231.37393	1.2
266.06973	1.1
279.93491	1.1
300.29062	7.3
376.92264	1.1
392.35135	2.7
404.35312	1.6
410.36362	8.3
421.09573	1.1
422.36313	19.4
440.37354	62.5
441.37119	2.6
584.48718	3.5
588.21411	1.2
602.50073	7.7
620.29370	1.4
620.38715	18.3
620.50543	3.0
621.39301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.50846	0.4
56.24554	0.4
57.07070	0.6
69.71973	1.2
83.04977	1.0
135.56744	0.4
144.11270	0.5
199.91090	0.4
388.16885	0.8
389.17554	1.7
390.18295	0.9
391.19269	0.8
402.18753	0.6
403.14676	0.5
403.19391	3.2
404.20126	1.1
405.20547	1.4
417.16125	2.8
417.21091	1.8
418.22049	0.7
419.22342	4.9
420.22729	0.9
430.17664	1.0
431.18063	4.7
432.19003	2.3
433.15204	0.7
433.20218	2.3
443.18649	0.6
445.19897	3.9
446.21030	5.7
447.21756	10.4
459.16556	0.5
459.21777	1.9
460.18542	0.9
461.19547	1.1
473.19629	1.5
474.20325	4.8
475.21240	7.7
476.21222	0.7
477.23111	0.6
487.21265	3.3
488.21741	0.7
491.20575	1.7
501.22610	1.6
505.26178	0.9
518.22833	0.6
519.20172	0.7
533.25494	13.9
534.25458	1.2
561.24945	20.9
562.25427	1.4
589.23883	0.7
593.27716	2.7
621.26947	100.0
622.27264	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	621.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
57.03447	0.7
61.52482	0.7
67.05512	2.6
69.07061	1.0
69.09666	3.2
69.10069	1.6
79.05515	2.2
81.07066	3.4
82.32753	0.7
91.05487	1.1
93.07057	2.1
95.08628	2.1
105.07053	0.6
107.08593	0.9
109.10130	0.8
119.08588	1.1
121.10170	1.6
131.08623	1.0
142.48811	0.7
181.88190	0.7
251.12589	2.5
254.77481	0.7
269.13574	5.0
307.15192	1.3
319.22482	1.1
325.16272	3.1
375.25128	1.5
566.06488	0.8
603.39154	3.5
621.39752	100.0
622.40063	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	621.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43859	0.3
56.05033	4.4
57.07074	2.8
58.06606	3.3
60.04528	0.4
64.48592	0.4
68.05025	0.4
68.90342	0.3
69.07068	0.5
69.33930	0.4
71.08621	2.5
74.06083	5.5
77.52513	0.3
78.19182	0.3
86.06055	1.1
86.09731	0.5
88.07632	10.9
104.07125	0.4
117.80853	0.3
118.08685	2.7
122.08140	3.5
157.85458	0.3
186.18536	27.0
187.18860	0.8
201.05502	0.4
216.19594	1.4
234.20633	100.0
235.21019	2.5
236.91228	0.4
273.98370	0.4
344.94162	0.4
355.15350	0.5
551.49658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.31697	0.3
55.01865	3.7
55.05514	9.0
56.05039	0.5
57.03429	3.0
57.05832	0.9
61.02933	1.7
69.03429	10.9
71.04995	0.6
72.08154	100.0
73.02918	2.4
73.08476	1.0
73.74658	0.3
81.03421	1.6
85.02905	36.6
87.04473	0.6
97.02893	14.8
98.22575	0.5
99.04462	3.8
101.02391	2.2
109.02876	3.2
111.04475	0.5
115.03941	1.3
118.08652	78.9
119.08983	0.9
121.27091	0.4
127.03915	31.0
128.04247	0.7
145.04958	34.5
146.05228	0.5
148.63417	0.4
163.06010	12.3
181.04955	0.4
211.80806	0.3
223.05962	0.7
241.07018	0.4
247.08058	0.4
253.06993	0.9
259.08124	1.9
262.92126	0.4
271.08051	1.5
280.13855	0.5
284.06586	0.3
289.09171	3.4
325.11346	1.7
327.07660	0.4
335.06339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
65.03933	2.8
66.97038	0.9
67.05493	2.0
71.45309	1.1
78.67755	0.9
79.05502	1.4
81.03424	1.2
81.07071	1.1
87.20163	0.9
91.05479	3.7
92.01658	0.9
93.07049	3.6
95.04950	1.3
97.92863	1.1
103.05495	5.9
107.04953	2.9
111.04446	1.6
117.03396	1.9
119.04947	2.1
119.08605	1.0
121.02867	100.0
121.03940	4.9
121.06488	8.6
123.86108	1.1
131.04929	11.5
134.03627	1.1
145.02908	1.2
147.04327	1.5
149.05977	14.2
159.04437	8.1
168.38963	1.0
177.05466	75.1
178.05800	1.3
209.08090	48.1
486.51889	1.1
553.80219	1.3
604.68311	1.0
623.30145	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	622.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75544	1.3
53.03949	3.2
55.01867	2.7
55.05510	9.4
56.05082	1.1
57.03441	3.5
57.07082	8.2
61.02928	2.8
65.03948	1.4
67.05508	14.3
69.03432	12.7
69.07067	18.1
71.04983	3.2
71.08638	1.4
73.02914	2.1
79.05491	9.8
81.03423	10.6
81.07061	34.4
82.03770	1.6
83.04993	4.3
83.08620	10.7
85.02911	20.7
85.06557	6.9
87.00842	8.8
87.04444	1.7
91.05481	9.9
93.07055	15.3
95.04962	9.5
95.08604	24.2
97.02901	7.5
97.06532	5.2
97.10171	3.4
98.22620	2.6
99.04472	2.5
99.08107	1.8
100.33345	1.5
103.05430	1.4
105.01875	6.9
105.07028	15.7
107.04951	2.4
107.08591	17.9
109.02897	9.5
109.06520	14.7
109.10160	32.9
111.08077	6.6
111.11752	1.3
113.05965	1.4
115.03934	1.3
115.05476	1.6
117.07010	3.1
119.08570	13.3
121.06522	4.0
121.10139	11.9
123.08073	5.2
123.11717	10.6
125.09636	3.9
127.03940	11.3
129.01848	1.6
129.06981	2.6
131.08572	4.9
133.10133	10.8
135.08067	5.9
135.11697	6.5
136.06229	2.0
137.09618	24.9
137.13248	6.6
139.11172	1.8
143.08601	2.7
145.04945	3.1
145.10144	6.4
147.08063	4.0
147.11674	7.4
149.09651	4.0
149.13243	5.6
151.07501	1.8
151.11234	2.4
159.03023	1.4
159.08098	2.6
159.11696	4.5
161.09654	5.2
161.13271	3.7
163.07556	4.3
163.11209	2.5
163.14851	2.7
165.09109	22.0
167.10699	1.6
167.14233	1.8
171.11696	1.6
173.09650	5.5
173.13254	2.9
175.11293	2.7
175.14824	8.4
177.09097	2.7
179.10713	1.8
181.08591	1.6
183.11739	1.9
185.13091	1.4
187.07635	1.6
187.14862	3.7
191.10612	3.4
193.12267	3.1
193.15881	28.6
201.16638	1.8
203.17984	2.3
205.15808	2.1
214.17987	1.8
217.08662	4.5
219.21097	1.6
223.17015	1.5
243.21146	4.2
259.24286	2.2
261.22159	3.7
275.23602	2.8
277.25201	3.3
279.23206	26.0
280.23257	2.2
285.22098	10.3
293.21213	3.6
303.23203	59.8
311.22342	2.4
321.24252	100.0
322.24594	5.4
339.25275	14.3
343.89307	1.4
357.26370	3.6
429.26651	1.5
551.28357	2.2
568.30109	1.7
569.29761	9.6
587.30389	3.6
611.70422	1.7
622.31738	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10510	1.0
55.01856	1.5
69.81551	2.3
69.81887	1.3
76.47316	0.9
77.03922	1.3
79.05498	1.2
89.95027	0.9
91.05495	3.8
95.04971	2.0
102.90057	1.2
103.05470	49.0
104.05844	1.2
105.03387	7.5
105.04486	1.7
105.07033	12.1
115.05489	2.5
119.04912	5.1
121.06537	1.3
131.04926	100.0
132.05276	2.3
133.04187	1.0
133.06497	9.3
137.05983	2.3
143.06096	1.1
147.04373	8.3
149.53047	1.0
161.05981	25.3
163.07545	37.9
179.07028	9.4
199.07581	3.2
201.03171	4.3
217.02731	1.8
231.08092	1.0
291.10178	5.5
295.41507	1.0
323.12842	4.1
339.06461	2.8
365.30292	1.1
442.14120	1.5
457.16360	4.3
501.13202	10.7
538.31219	1.2
593.24066	0.9
608.24255	2.9
623.17108	4.4
623.26166	52.8
624.26672	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1893
Annotation	DIOONFLAVONE
Peak:m/z	Relative Intensity
55.66690	3.8
57.06338	4.2
58.51131	3.6
64.56655	4.1
67.17553	3.8
69.14324	3.5
69.62081	11.6
69.62423	5.5
92.55573	3.7
110.14931	4.3
113.13946	3.6
124.04171	3.8
203.40224	3.9
211.61497	4.5
298.44632	4.2
329.31082	4.1
621.17743	4.9
623.18835	100.0
623.32629	9.9
624.18994	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	623.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46348	26.8
80.02496	5.7
82.20316	5.7
90.96678	5.8
91.05488	5.9
93.07056	7.0
104.46526	5.6
180.75124	6.9
239.72768	5.7
255.50140	5.9
378.41681	7.4
406.61792	6.1
504.55920	6.8
580.30219	7.2
623.18964	100.0
623.32684	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23605	0.9
53.03939	2.8
57.03464	1.1
61.00391	1.1
65.03951	2.2
69.03430	3.8
69.10653	3.0
69.11075	2.8
71.05009	1.0
78.18443	0.9
78.29725	0.8
81.03416	4.2
81.07072	1.1
85.02901	6.4
87.00850	5.1
89.03930	1.1
92.05066	1.0
93.07046	1.2
94.06585	2.1
95.04935	1.4
95.08631	1.2
96.08157	2.6
97.02906	5.4
99.04478	1.8
103.14073	0.8
105.01888	2.6
108.07495	0.9
108.08126	5.6
109.02892	11.0
110.09705	4.7
111.79565	0.8
116.04993	3.0
119.08552	1.2
120.04466	2.9
120.08103	4.1
122.06038	7.1
127.03913	10.4
136.07594	10.2
137.08507	0.9
138.09096	5.1
144.04434	8.3
145.05032	1.1
146.06003	2.8
148.03941	54.7
148.07556	2.8
150.09149	2.8
154.08636	2.9
159.02896	1.6
162.05537	6.8
166.05022	9.8
166.08647	23.4
172.03949	47.5
173.04286	1.4
174.05495	1.4
178.08662	1.1
190.05032	13.1
197.06490	0.8
204.06573	100.0
205.06903	3.2
222.07642	5.6
227.11763	1.9
231.05128	1.3
250.10963	1.2
253.11301	0.9
255.11346	10.2
261.66296	1.0
273.12372	9.6
283.10809	11.9
301.11829	40.6
302.12274	1.0
319.12918	1.3
325.11932	3.8
329.15210	2.1
339.13409	5.1
343.08704	2.1
343.12891	41.2
344.13303	1.6
357.14474	32.3
358.14890	2.1
375.15585	5.0
420.09323	1.0
489.87692	1.3
573.17139	4.2
577.20789	1.4
587.18994	1.0
605.19537	2.6
607.41492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	3.0
66.45244	1.4
67.29681	1.4
70.07063	1.2
71.08654	2.6
89.06035	8.4
95.08703	1.7
133.08650	3.1
229.33481	1.5
391.19293	3.2
392.20178	2.4
401.17981	2.2
405.20993	3.4
406.21484	4.0
407.22360	11.7
414.18753	1.9
415.19525	3.4
420.23019	2.9
421.23813	13.6
422.24606	3.7
427.19077	3.0
429.20905	10.1
430.21344	2.9
431.22934	2.2
433.24432	2.9
443.22675	7.7
444.23108	6.1
445.20175	2.5
457.24527	2.2
458.24997	8.7
459.21912	9.1
460.22476	3.7
461.19281	3.4
471.21597	2.1
472.22455	9.5
473.23724	2.4
475.21368	6.9
476.22186	6.5
477.22906	5.5
485.23532	18.9
486.19604	2.3
486.24326	5.5
489.22983	5.7
493.26291	2.3
499.21591	6.3
500.22128	3.6
503.24551	11.3
513.22766	4.7
514.23749	2.1
517.26636	10.4
529.26282	3.3
531.23950	1.7
533.38171	6.5
535.26971	6.9
545.25476	100.0
546.25977	8.0
564.27203	3.5
573.24805	27.1
574.25671	2.4
591.26166	2.2
605.27582	82.1
606.27661	5.9
623.28619	93.3
624.28882	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01870	5.0
55.05508	14.9
55.10996	1.3
57.03434	6.4
57.11720	1.2
61.02924	24.1
65.03940	2.0
67.05506	32.2
69.03435	7.0
69.07072	13.8
69.43271	1.5
69.43595	5.8
71.04990	2.2
73.02909	7.2
73.06612	1.2
79.05493	27.2
81.03417	7.3
81.07058	31.0
83.04979	2.3
83.08621	11.3
85.02904	17.3
85.06544	3.6
91.03957	9.1
91.05479	38.7
93.07039	28.1
95.04975	7.8
95.08606	22.8
96.08916	1.5
97.02898	11.1
97.06525	6.1
97.10169	4.3
103.05469	3.0
105.04520	1.6
105.07030	28.7
107.04964	4.9
107.08598	12.1
109.02848	1.7
109.06526	5.4
109.10136	10.8
111.08079	5.0
113.05289	1.3
115.01590	1.2
115.05453	4.9
116.06278	1.2
117.06193	1.4
117.07018	24.7
119.04916	2.9
119.08566	15.7
121.06499	5.1
121.10145	9.5
123.04377	1.9
123.08073	3.3
123.11710	2.7
125.09650	3.2
127.03924	3.7
128.06229	4.4
129.07004	27.9
131.04950	2.3
131.08566	32.7
133.06526	6.8
133.10115	11.0
135.08089	2.3
135.11700	4.4
137.09659	2.3
141.06982	12.2
142.07730	2.2
143.08557	22.3
145.06529	5.8
145.10129	18.2
147.08061	5.3
147.11699	4.6
149.05949	2.4
149.09674	3.5
149.13304	3.2
151.11163	2.4
153.07065	2.3
154.08620	3.2
155.08530	16.7
157.06433	2.6
157.10103	14.7
159.08064	4.5
159.11670	10.1
161.09607	3.4
161.13275	2.2
163.11159	3.1
165.07040	3.7
167.08525	8.3
168.09335	1.3
168.69695	1.4
169.10106	13.8
171.08044	4.0
171.11650	9.6
173.09726	2.9
173.11859	1.8
173.13274	3.3
175.11174	2.1
177.05440	2.2
177.12738	3.2
179.08595	4.9
181.10081	10.4
182.10855	2.2
183.11673	7.8
185.09622	2.4
185.13203	7.2
187.11172	3.8
187.14825	2.4
189.12778	2.3
193.10077	4.3
195.11700	9.5
197.09627	1.8
197.13237	8.0
199.11198	3.4
199.14856	2.3
200.20099	2.5
201.12721	2.7
203.14360	1.4
205.10249	1.4
207.11687	3.7
209.13257	6.1
211.11200	2.3
211.14856	4.3
213.12775	3.3
213.16365	3.0
215.12572	1.7
215.14401	6.2
215.16208	1.3
219.11737	2.4
221.13278	7.1
222.14128	1.4
223.14804	5.2
225.12794	2.1
225.16502	2.3
227.14357	1.6
229.15990	1.6
231.17538	1.9
233.13269	1.6
233.15535	1.5
235.14828	4.7
237.16461	1.6
239.14401	3.1
241.15953	2.4
247.17087	1.5
249.16483	3.1
253.15797	2.6
257.15369	3.4
271.16934	4.5
285.18506	1.7
287.19894	1.3
303.19397	1.7
305.22290	2.0
315.20920	1.7
323.23767	5.6
333.22052	10.7
339.29022	1.8
340.29382	2.6
341.24640	8.7
351.23190	34.3
352.23477	2.0
365.51755	1.5
369.19656	1.6
369.24231	30.0
370.24637	1.7
387.25317	15.8
415.28470	2.3
425.26291	6.0
425.31580	2.1
433.29572	2.8
443.27902	100.0
444.28293	4.9
461.28949	60.1
462.29373	3.8
497.30713	4.6
503.29587	1.9
605.32727	2.0
623.34216	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14637	0.9
71.09750	1.4
87.04459	2.0
104.07082	1.9
104.99314	1.0
137.01819	1.7
184.07324	3.4
188.53340	1.1
192.22458	1.0
248.09566	0.9
362.48489	1.0
376.66608	0.9
462.21771	1.1
471.30450	3.8
481.37030	0.9
489.31177	2.2
541.37109	100.0
542.37524	6.3
550.08435	1.0
558.52179	1.0
623.42633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01873	2.6
57.03426	1.1
57.05135	0.5
61.02914	1.4
66.04722	0.6
67.75529	0.5
68.22489	0.5
68.99786	1.1
69.03430	7.0
71.04996	1.0
73.02909	1.5
74.06072	0.6
79.05486	0.9
81.03418	7.4
81.07076	0.9
85.02904	17.8
87.00834	5.8
87.04485	0.7
91.03954	0.7
91.05489	2.7
92.03792	0.5
93.07039	0.8
94.04209	2.2
95.04973	0.5
97.02342	0.6
97.02895	6.1
99.04455	4.0
103.03970	0.5
103.05447	1.6
105.01869	4.8
105.07025	5.4
107.04998	0.7
109.02885	6.3
109.06512	1.5
114.71783	0.4
115.03946	1.0
115.05443	2.0
117.01825	1.0
117.07027	1.3
119.08579	1.7
121.06495	1.7
122.03652	4.3
127.03916	15.0
128.06224	0.9
129.01845	1.0
129.07002	2.0
131.04947	1.8
131.08528	0.5
131.44441	0.4
132.05708	1.5
133.06491	4.6
137.05977	100.0
138.06294	1.1
145.04965	6.7
145.06404	2.2
146.03633	0.5
147.02853	0.6
147.04401	1.1
147.08086	2.5
149.05991	3.0
151.03940	1.1
151.07549	1.2
155.04922	1.3
159.02887	4.8
159.08038	2.2
160.05206	1.3
161.05977	18.0
162.06699	1.9
163.07509	1.2
169.06447	0.6
171.08040	0.7
172.05219	1.0
174.37074	0.5
175.07541	24.4
179.07047	1.0
184.05209	0.6
185.06006	0.6
187.07539	9.2
187.09062	0.8
189.05441	0.9
189.09113	0.8
190.07817	2.4
191.07013	1.0
191.08560	7.3
193.08607	1.9
199.07570	4.0
202.07773	1.1
203.06947	0.5
203.08591	2.2
205.08516	1.2
205.10257	0.6
208.08772	0.9
215.07018	0.6
215.08781	0.5
217.08626	1.4
218.07274	2.2
219.08055	12.6
220.08737	1.9
225.09172	0.6
229.08478	1.0
231.05020	2.5
231.08110	3.2
231.78809	0.6
232.08693	1.2
233.09708	0.9
235.07523	1.0
236.08308	2.4
237.09033	0.6
247.07535	5.7
248.08327	2.7
249.09027	0.9
251.10675	19.7
253.08604	1.3
259.07504	2.6
260.08267	0.9
261.09100	1.3
263.10681	1.1
264.07843	1.1
265.08755	0.9
275.10355	0.5
276.07822	1.5
277.08658	1.1
279.10153	13.3
280.10806	0.9
281.08163	1.5
282.57562	0.5
289.08636	0.6
291.10141	5.6
292.10812	1.5
293.11569	0.7
295.09805	1.0
295.13074	0.6
296.10458	1.9
297.11267	0.6
303.10297	2.2
308.10410	1.0
309.11166	1.4
311.12762	48.1
312.13104	0.7
321.11209	3.1
323.12772	16.8
324.13120	0.8
329.13901	0.9
333.11343	1.2
335.12714	4.0
341.13867	4.2
347.12674	0.9
353.13876	3.3
359.12762	0.5
365.13965	1.3
373.14526	0.6
377.13889	1.4
401.13931	2.9
419.14780	2.3
437.16290	0.7
505.14993	0.6
523.16156	2.2
541.16882	2.1
559.17816	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01864	2.7
57.03430	1.7
60.56910	0.6
61.02915	1.9
64.43181	0.7
65.03953	0.7
69.03120	0.8
69.03437	9.8
69.32887	2.9
71.04993	1.8
73.02914	2.0
79.05490	1.0
81.03420	10.2
84.89019	0.6
85.02402	1.4
85.02903	23.4
85.03413	1.1
85.93906	0.6
87.00836	10.4
91.03925	0.8
91.05486	2.4
93.03382	0.8
94.04210	2.0
97.02892	11.7
99.04449	3.8
103.05489	1.5
105.01878	8.2
105.07027	3.2
109.02892	8.6
109.06493	1.7
115.05466	5.0
117.01867	1.6
117.07005	1.6
119.08546	1.0
122.03647	4.4
125.05994	1.0
127.03918	21.6
128.06216	1.2
129.01857	1.4
129.07018	4.1
131.04921	3.1
132.05728	0.9
133.06482	2.5
136.11264	1.1
137.05977	100.0
138.06325	1.5
143.04924	7.7
144.05699	1.4
145.04958	10.4
145.06197	1.2
145.06516	1.2
146.03703	0.7
147.02873	1.2
147.08035	1.5
149.05975	1.4
149.99886	0.7
151.03952	1.3
151.07510	1.8
153.05444	1.2
155.04880	0.7
157.06448	4.4
159.02887	6.4
159.08102	1.2
160.05199	8.1
161.05968	9.6
163.07574	2.0
172.05209	2.5
173.06004	0.8
174.06729	1.0
175.07542	70.7
176.07881	1.4
177.05492	1.0
179.07082	1.0
184.05385	0.8
187.07541	31.2
189.09126	5.5
191.08556	6.0
199.07545	3.3
202.07883	1.2
203.08528	2.3
205.08563	13.9
208.08662	0.9
211.07631	1.2
217.08618	4.4
219.08087	7.0
219.10052	1.1
220.08745	1.6
224.72804	0.8
231.05023	3.2
231.08017	2.8
232.08849	1.0
235.09619	19.4
236.08112	1.6
239.06969	1.1
240.07863	0.9
247.07530	4.1
248.08409	2.5
251.10670	15.1
259.07520	3.4
263.10611	2.6
264.07788	1.4
265.08710	1.6
268.10953	0.8
270.08868	1.5
271.09650	3.2
276.07748	1.1
277.08688	1.0
279.10144	11.3
283.09744	1.1
291.10196	6.7
292.10855	1.8
296.10382	1.5
311.12766	31.7
312.13089	1.6
313.14032	1.1
313.81198	0.8
323.12762	10.4
324.22211	0.9
325.14322	2.1
341.13867	17.6
376.21365	0.8
405.31998	0.7
624.33325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46449	0.6
54.44513	0.5
55.05456	0.9
55.05705	0.5
57.03384	0.6
57.06989	1.6
57.07242	0.6
57.90501	0.5
67.05400	2.3
68.04958	0.6
69.03324	4.2
69.07005	0.7
70.06506	1.0
71.04884	0.7
71.44406	0.8
73.39242	0.5
79.05366	1.9
80.04941	0.9
81.03339	0.8
81.06946	2.0
81.07382	0.6
85.02776	2.1
85.06467	0.6
86.05975	1.3
87.04388	1.1
91.05359	2.5
91.56069	0.5
93.06919	2.4
95.04843	2.8
95.08482	1.7
96.08002	3.1
97.02773	1.7
97.06384	1.8
98.05946	1.4
103.05419	0.5
105.06905	2.6
107.04860	1.3
107.08477	1.9
111.04350	1.2
111.07956	2.2
115.03825	0.8
117.06923	1.0
119.04897	0.6
119.08568	3.4
120.08121	2.5
120.08735	0.7
121.06377	2.7
121.10075	1.3
122.09571	0.7
124.03854	0.5
124.11100	1.1
125.05943	0.8
126.12697	0.8
127.03868	0.8
131.04787	0.5
131.08440	1.8
131.62212	0.5
132.07954	0.6
133.06480	1.0
133.10046	1.4
134.02657	0.6
134.09578	0.9
135.07918	1.7
135.11517	0.9
136.06056	1.6
136.07478	0.9
136.11118	1.3
137.05829	1.2
137.09483	2.0
138.12772	6.8
139.07411	0.9
144.07884	0.5
145.04877	0.8
145.09979	1.5
146.09511	1.7
147.08061	7.5
147.11549	1.7
148.07391	1.2
148.11174	2.6
149.09485	2.0
149.13062	0.8
151.07428	0.8
152.10583	0.9
153.05376	1.2
154.12247	3.3
155.03311	0.7
158.09537	1.1
159.08044	2.8
159.11580	1.0
161.05789	0.6
161.09547	1.2
161.13235	0.8
162.09001	2.1
162.12671	1.2
163.11055	0.6
164.14264	0.8
165.05334	1.1
165.08983	2.3
172.07437	0.6
172.11107	0.6
173.09541	1.3
175.07414	2.1
175.09784	1.0
175.11179	0.7
175.14749	0.9
176.10570	1.6
176.14334	4.9
177.12639	1.3
178.08531	0.6
185.07965	0.8
186.08983	0.8
186.12654	1.0
187.07443	0.6
187.14851	2.5
188.10622	1.0
188.14153	0.8
189.09076	0.6
193.10780	0.9
194.11726	0.9
203.09155	0.7
203.14299	4.6
204.13890	10.0
204.15614	1.1
204.17442	6.2
205.08504	0.6
205.15919	7.7
207.06473	1.1
211.06059	2.6
211.09514	1.1
214.15927	2.7
215.14319	2.8
216.17303	1.7
217.15756	1.5
222.14900	0.6
229.07111	3.8
231.13844	7.1
232.16969	19.4
233.15518	2.6
233.17375	0.8
234.18423	1.1
242.13263	0.6
242.15427	8.3
243.13649	1.1
249.14850	0.7
250.18016	10.0
256.60788	0.6
260.16452	29.5
261.16882	1.3
278.17505	47.8
279.17679	1.6
282.14835	1.0
299.44141	0.6
300.15860	1.1
318.16940	1.4
328.90500	0.6
379.74884	0.6
397.20093	0.7
402.19135	0.9
416.24368	0.8
418.21994	0.6
420.20337	0.7
426.22778	2.3
427.21121	0.8
444.23734	9.1
462.24884	86.2
463.25388	3.7
559.66071	0.6
624.30212	100.0
625.30634	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	624.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01862	4.2
55.05258	1.5
55.05512	22.8
56.04469	1.1
57.03428	4.0
57.07080	9.8
59.04993	2.4
60.34174	0.9
61.02908	1.6
65.03942	1.3
67.05505	21.5
68.99788	1.0
69.03433	13.5
69.07069	41.3
71.04997	5.4
71.08643	5.6
73.02884	1.7
77.03931	1.4
79.05486	15.8
81.03420	9.9
81.07058	76.1
83.04989	13.2
83.08620	26.5
85.02915	22.0
85.06535	5.5
85.10189	2.0
86.25946	1.0
87.00829	8.4
87.04461	4.3
91.05483	15.2
93.07047	51.0
95.00813	1.1
95.04958	13.6
95.08607	62.7
97.02881	8.2
97.06528	15.4
97.10166	7.7
99.04446	5.8
99.08083	3.0
105.01861	7.4
105.04516	1.4
105.07023	22.3
107.04953	1.7
107.08593	33.6
109.02866	6.1
109.06528	20.5
109.10155	36.7
111.08082	20.6
111.11720	5.5
113.05991	1.2
113.09647	1.6
115.03931	1.6
117.07008	3.5
119.08578	24.2
121.06490	5.9
121.10143	40.3
123.04408	1.4
123.08066	5.9
123.11705	20.7
125.05979	2.0
125.09643	5.9
127.03922	11.8
127.07530	3.7
129.07011	1.3
131.08548	6.8
133.06497	1.3
133.10132	17.8
135.08040	2.2
135.11694	12.9
137.09610	9.4
137.13252	17.8
139.07573	6.3
139.11186	7.3
140.10686	1.1
141.12752	2.6
143.08575	2.6
145.04924	4.6
145.10135	6.5
147.07976	1.6
147.11668	12.5
149.09602	4.7
149.13257	18.8
151.07530	1.3
151.11174	5.1
151.14816	2.4
153.12740	1.2
155.10667	2.5
157.10133	4.6
159.02940	2.0
159.11687	7.8
161.09601	4.0
161.13254	7.4
163.11209	3.2
163.14815	6.0
165.12708	2.8
165.16354	4.1
167.10664	5.0
167.14323	3.6
171.11667	2.7
173.13237	5.3
175.11165	2.3
175.14786	5.6
177.12775	1.8
177.16469	5.9
179.10602	2.6
181.12210	1.6
183.17410	6.2
185.13298	2.2
187.14801	3.8
189.12686	1.4
189.16371	8.8
191.14294	1.6
191.17879	1.4
193.12201	3.9
193.15843	2.4
199.14859	2.5
201.16388	2.8
203.17947	4.5
207.17412	4.5
213.16382	2.6
215.18028	1.7
217.19453	4.4
221.19061	1.6
229.19484	4.1
229.46700	1.1
231.04991	2.0
231.17392	1.2
235.20531	3.2
243.20992	2.0
245.22588	3.4
257.22580	1.3
259.24301	5.9
261.21954	2.0
263.23752	2.0
269.22653	9.4
275.23776	2.6
277.25244	3.5
279.23129	7.4
287.23666	18.9
293.24765	12.2
295.22647	2.1
305.24747	79.7
306.25015	2.5
323.25790	100.0
324.26111	3.5
341.26852	13.7
359.27814	3.2
428.17026	3.6
453.93405	1.3
517.28003	1.8
553.29645	2.5
590.21979	1.5
624.24988	5.2
625.25604	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	624.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22754	0.8
53.03942	1.8
55.01874	1.5
55.05518	9.9
57.03441	4.6
57.07066	3.6
57.66132	0.7
58.44451	0.7
59.04996	2.2
61.49961	0.8
65.65899	0.8
67.05509	15.9
69.03429	7.1
69.07069	37.8
69.36730	4.3
71.04995	5.8
77.03915	0.9
79.05489	18.8
81.03426	3.2
81.07057	39.2
83.04990	3.6
83.08627	4.6
85.02910	7.9
85.06545	2.6
86.74975	0.9
87.00844	3.4
91.05480	9.7
93.07047	62.8
95.04964	9.9
95.08611	49.0
97.02906	2.2
97.06520	6.5
97.10180	3.5
99.04453	1.4
99.08083	3.2
102.21208	0.9
103.05440	1.3
105.01869	2.3
105.04516	1.4
105.07032	10.5
107.05048	0.9
107.08598	18.2
107.09257	1.5
109.02888	2.9
109.06526	5.7
109.10164	19.9
111.04453	0.9
111.08095	2.6
111.11733	6.4
119.08572	6.9
121.06514	12.8
121.10147	55.5
123.08079	5.6
123.11710	18.0
123.12617	0.8
124.20929	0.8
125.09648	6.8
127.03939	4.7
131.08585	5.3
133.10138	3.6
135.08096	0.9
135.11684	4.9
137.09641	5.0
137.13254	2.9
139.11183	15.9
143.08580	1.3
145.04938	1.8
145.10181	3.9
147.11708	3.7
149.09627	8.8
149.13243	2.6
151.11212	1.5
153.12762	2.7
155.10701	3.5
159.02921	1.3
159.11728	2.8
161.13278	1.8
163.06183	0.8
163.11240	1.5
165.12741	2.3
167.10681	39.7
171.11690	1.2
172.53645	0.9
173.13310	2.4
175.14850	1.3
181.12299	1.0
185.11734	1.6
187.14789	1.1
193.15926	1.2
201.16374	1.4
203.17924	1.3
207.17491	2.5
213.16475	1.6
217.19601	0.9
229.19601	1.3
231.05098	1.9
235.20595	1.0
269.22647	2.7
287.23663	10.4
290.30606	1.1
293.24826	2.8
305.24744	31.2
306.25204	1.0
323.25806	100.0
324.26166	3.4
339.74884	0.9
388.21146	1.6
553.30090	2.0
553.39581	0.9
571.31250	1.5
624.24036	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	624.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90424	0.7
53.03946	2.7
55.01859	2.4
55.05510	5.6
56.05031	3.3
57.03416	1.0
60.04513	1.8
61.02889	0.8
61.30195	0.7
66.73333	0.7
67.05505	17.4
69.03426	8.4
69.07055	3.4
69.53640	1.6
69.54030	1.5
69.80106	0.7
70.06580	1.3
71.04992	4.9
77.03902	0.8
79.05498	18.1
80.05007	2.4
80.05811	0.9
81.03426	5.6
81.05793	2.4
81.07058	19.3
81.66880	0.7
82.06589	4.1
82.07371	1.0
83.04974	2.6
83.08615	4.0
85.02911	6.6
85.06552	4.4
86.06068	3.1
86.99078	0.9
87.04465	4.5
91.05483	7.8
93.06446	1.4
93.07047	29.4
94.06570	19.4
94.07205	1.4
94.07411	1.1
95.04974	5.7
95.08607	30.5
95.09219	1.6
96.08114	2.6
97.02875	3.4
97.06533	10.2
99.04466	2.1
99.08044	1.2
103.05470	0.8
105.00084	3.2
105.04531	2.0
105.07027	17.2
106.07341	0.7
107.04942	1.4
107.07340	3.0
107.08591	4.0
109.02879	2.1
109.06518	1.3
109.10143	7.2
110.09685	10.1
111.04446	1.3
111.08074	16.3
115.03934	2.4
119.08562	2.6
120.08109	1.6
121.06507	2.3
121.10143	6.5
122.09669	34.7
123.08069	33.3
123.09995	1.0
123.11710	6.5
125.05990	1.7
125.09626	1.2
127.03943	4.4
128.10721	27.4
129.06993	0.9
131.08568	1.0
132.04771	0.8
133.06508	1.2
133.10132	2.5
135.11697	2.8
137.05983	3.4
137.09628	1.0
137.13229	1.2
138.05573	0.8
138.09145	0.8
140.10703	100.0
141.09102	16.3
141.11018	1.6
142.12259	1.3
143.06966	1.2
143.08600	1.0
145.04968	2.3
145.10191	4.1
146.10463	1.0
147.11665	1.0
149.13261	2.4
151.07552	1.2
151.11180	1.6
153.12773	1.0
158.07269	0.9
158.11787	6.8
159.08043	1.0
159.11729	1.8
161.09558	0.7
161.13206	0.9
163.04243	1.2
163.11266	1.2
167.10651	1.3
173.09657	2.8
174.09946	1.5
175.07524	1.6
177.05382	1.0
181.04941	1.5
182.05354	1.0
187.11214	2.2
191.03621	1.9
191.10649	0.9
205.12296	1.6
205.19484	3.0
209.15369	1.0
215.10612	2.5
215.17938	0.9
216.11111	0.8
223.20576	1.8
233.11769	1.6
235.09731	0.8
250.21649	0.8
251.12874	1.0
254.32677	0.8
268.22678	4.4
277.08990	0.9
283.07886	0.8
286.23853	4.4
311.12521	1.3
312.25311	2.8
313.14624	1.5
331.15656	2.0
338.86523	0.8
360.28909	1.1
378.29950	4.0
390.29984	5.6
396.30972	2.3
408.31110	51.7
409.31433	3.1
426.32147	78.7
427.32535	3.6
444.16440	2.3
444.33179	15.3
462.34253	0.9
624.24475	1.0
635.26587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27713	0.7
53.03940	1.2
55.01869	2.1
55.05507	3.8
55.59683	0.8
56.05037	3.6
57.03442	1.4
59.04983	0.9
59.41822	0.7
60.04520	2.7
61.63577	0.8
65.03928	1.1
65.93263	0.7
67.05161	1.2
67.05505	18.3
68.05008	0.8
69.03429	4.4
69.07061	2.7
69.33873	4.1
70.85016	0.6
71.04990	4.4
79.05492	17.5
80.05011	2.3
81.03413	2.9
81.05782	1.9
81.07057	18.8
82.06591	4.0
83.04999	0.7
83.08607	2.8
85.02910	3.5
85.06546	2.9
86.17920	0.8
87.04470	3.2
91.05471	5.0
93.05802	0.8
93.06450	1.4
93.07042	24.2
94.06569	17.3
94.68535	0.8
95.04957	5.0
95.08609	28.9
96.08121	2.0
97.02893	2.3
97.06538	6.6
97.10171	1.3
99.04439	0.7
103.05459	1.3
105.04538	1.3
105.07031	11.5
107.07343	3.1
107.08591	2.6
109.02904	0.9
109.10166	5.5
110.09680	9.8
111.08101	14.1
115.03929	1.2
119.08613	1.1
120.08098	1.3
121.10156	5.1
122.09666	34.6
123.08073	32.3
123.11696	3.6
124.08430	0.9
127.03911	2.4
128.10716	31.2
129.05542	1.1
130.12299	1.3
131.08525	0.9
133.10143	1.0
135.11671	2.9
135.49965	0.7
137.05995	2.3
137.13228	0.8
138.09154	1.3
138.73940	0.8
140.10699	100.0
141.09109	16.7
141.10950	1.9
142.12236	1.4
145.02824	1.4
145.05013	1.0
145.10080	1.4
149.13304	1.5
157.11378	0.8
158.11766	8.3
173.09630	1.1
187.07648	0.8
191.10583	0.8
197.09660	0.8
205.08603	1.0
205.19518	3.2
223.20561	2.1
233.11696	0.9
233.19002	0.8
251.80533	0.7
268.22745	3.7
286.23703	4.6
294.24271	0.8
312.25107	1.0
330.13513	1.5
331.11923	0.9
348.14307	3.0
349.14713	0.8
372.28986	1.0
378.29913	3.8
390.30072	6.5
396.31003	1.8
408.31073	69.3
409.31534	4.5
424.65793	0.8
426.32141	74.6
427.32401	3.9
444.33072	11.9
445.33365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80894	2.4
63.18257	1.9
67.05515	2.0
67.45477	1.9
68.76703	1.9
71.47649	2.4
72.16199	2.0
76.21711	2.1
89.03932	2.6
117.03395	7.9
138.51399	2.0
145.02846	25.2
149.05962	3.9
156.00288	2.1
159.21524	2.1
177.05478	100.0
180.80029	2.4
331.32602	2.2
351.53699	2.0
561.37927	27.3
568.58716	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	624.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66895	3.7
53.03943	4.5
55.01884	5.7
55.05519	20.3
57.07068	13.6
65.77577	3.8
66.96407	3.7
67.05511	50.3
69.03424	6.7
69.07076	16.6
69.88151	5.0
69.88480	8.9
71.08630	9.1
79.05492	25.1
81.03400	20.1
81.07061	45.4
83.04979	9.7
83.08617	9.9
85.10188	35.6
91.05495	29.3
93.07053	41.2
95.04980	22.1
95.08607	25.5
97.06537	8.4
97.10140	6.7
98.22807	6.1
99.08073	4.3
105.07032	23.3
107.04956	16.6
107.08597	16.8
109.06512	7.5
109.10166	19.4
113.09647	32.0
119.08573	16.4
121.10162	15.2
123.08091	6.1
131.08557	11.6
133.10144	10.5
135.11710	7.9
137.09589	8.2
145.10139	4.6
147.11711	9.1
149.09586	9.8
149.13211	5.6
151.11191	15.0
159.11583	4.9
161.13260	6.5
163.11174	9.8
165.12749	49.5
175.11314	4.6
177.68210	4.2
193.91196	4.0
216.26404	4.0
223.13390	4.0
224.22969	4.2
259.20551	8.9
277.21658	85.4
278.22296	4.8
295.22720	100.0
296.22943	5.3
378.69925	4.4
378.74600	3.9
571.43677	4.7
597.26343	4.1
600.53986	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	625.1761
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
57.03437	1.9
57.20797	0.3
61.02914	0.4
69.03429	1.0
69.79336	1.2
71.04996	10.7
73.02905	0.5
81.03404	0.7
83.04968	0.3
85.02907	15.5
88.49982	0.3
92.02587	0.4
93.03412	0.4
97.02878	1.2
98.23379	0.5
109.02855	0.5
121.02856	0.9
127.03965	0.6
129.05481	3.3
133.71045	0.3
139.03888	0.8
145.04958	0.5
147.06511	0.8
151.03897	0.4
153.01820	3.6
173.75064	0.3
187.11014	0.3
188.86247	0.3
196.36140	0.3
224.34006	0.3
229.04990	2.0
245.04463	0.7
246.05203	1.3
257.04486	1.8
271.06076	0.4
273.03949	0.9
274.04672	3.7
284.02985	0.4
285.03870	3.5
302.04233	9.8
303.04468	0.5
313.42001	0.4
317.06549	100.0
318.06888	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01866	7.1
55.05516	24.5
55.77465	1.5
57.03444	5.5
57.07082	2.3
61.02478	1.5
65.03953	2.6
67.05506	44.7
69.03451	2.7
69.07072	22.3
70.58887	2.0
70.59238	2.3
71.05006	5.8
71.48142	1.6
72.08164	2.0
75.52694	1.4
76.13625	1.4
77.03909	1.6
79.05496	28.5
81.03446	2.4
81.07059	38.4
81.07504	3.0
83.04998	5.7
83.08614	10.6
85.06577	2.0
86.09720	6.6
89.95543	1.4
91.05482	29.4
93.07050	30.0
95.04982	7.3
95.08624	22.1
96.08166	1.7
97.06525	7.6
97.10181	7.7
99.08109	1.9
105.07031	30.6
107.04945	4.3
107.08588	22.6
109.06579	3.7
109.10172	14.2
111.08118	2.6
115.05485	3.2
117.07023	16.5
119.08572	18.9
121.06537	2.0
121.10141	8.5
123.08008	1.7
123.11733	7.3
125.09679	7.8
128.06223	3.0
129.07022	15.2
131.08572	16.3
133.10133	15.0
135.08086	3.3
135.11725	6.1
137.09705	1.7
140.14410	3.4
141.07024	5.5
142.07774	3.3
143.08562	17.2
145.10139	16.1
147.11722	10.1
149.09685	2.2
149.13261	3.8
153.07021	1.7
154.07796	1.8
155.08560	11.7
155.33446	1.4
156.09357	1.8
157.10144	14.5
159.11707	12.9
161.13290	5.2
163.11319	1.7
167.08627	5.1
168.09308	2.5
169.10161	13.4
171.11687	12.5
173.09674	1.6
173.11942	1.9
173.13184	7.2
175.14838	3.3
177.12878	1.7
179.08583	3.2
181.10139	7.7
183.11714	14.6
185.13264	9.4
185.59258	1.5
187.13388	1.9
187.14896	5.2
189.11311	2.5
193.10135	2.0
195.11711	7.5
197.13347	9.8
198.97462	1.8
199.14865	5.8
201.12735	2.0
201.16576	2.9
207.11781	2.9
209.13341	6.2
211.14844	8.4
213.16490	5.0
215.14394	1.4
221.13313	1.9
223.14894	4.2
225.16449	5.3
227.12804	4.2
227.17992	3.7
227.86028	1.5
235.14960	4.3
237.16562	4.3
239.18082	2.2
241.19507	4.1
243.15910	2.5
253.19595	2.2
257.19177	3.6
259.20651	5.3
263.17767	1.8
267.21188	1.8
273.18695	2.3
273.21982	1.6
275.20197	5.8
277.21786	2.5
285.21915	2.9
311.23709	1.6
323.23685	1.8
333.24341	4.7
349.24054	3.0
365.28485	5.9
379.30103	1.9
381.31741	2.8
383.29303	1.8
421.31079	3.3
427.65311	1.6
439.31912	3.5
495.34604	1.8
513.35736	14.2
515.38947	4.7
527.37213	1.8
533.39972	7.8
551.40863	5.8
555.36456	2.2
589.42529	2.0
597.42236	3.6
607.43561	37.9
608.44110	3.1
625.44647	100.0
626.45081	11.7
646.40485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
54.24641	0.3
55.01854	0.7
55.05501	0.8
55.54030	0.3
57.03409	0.6
57.07083	0.6
61.02911	0.4
67.05483	0.9
68.05024	0.3
68.99775	0.6
69.03110	0.4
69.03432	3.5
69.07074	1.5
71.04984	0.6
73.02901	0.4
79.05467	1.1
80.05017	0.3
81.03030	0.3
81.03415	3.0
81.07056	3.1
82.06565	0.6
83.01318	0.6
83.04967	1.1
83.07332	0.6
83.08595	0.8
85.02909	4.0
85.06506	0.4
86.06062	0.3
87.00829	2.0
91.05470	1.5
93.07054	1.9
94.06546	0.9
95.04950	1.2
95.08601	1.7
96.08107	0.7
97.02895	1.7
97.06492	0.7
97.10154	0.4
99.04449	0.9
99.08103	0.3
102.54290	0.3
105.01859	0.5
105.07011	0.7
105.23077	0.3
106.06538	0.9
107.04940	0.5
107.08583	1.3
108.08089	0.3
109.02877	2.1
109.06498	0.5
109.10145	1.3
111.04410	0.3
111.08054	1.2
113.06007	0.5
115.03922	0.3
116.04976	0.4
116.51800	0.3
117.01901	0.4
118.06580	0.3
119.04961	0.4
119.07300	0.3
119.08581	0.7
120.04445	1.2
120.08123	2.1
121.02793	0.3
121.06535	0.7
121.10119	1.0
122.09639	0.8
123.11674	0.9
126.12800	0.4
127.03912	2.6
128.04938	1.1
129.04491	1.2
129.05418	0.3
131.08580	0.4
132.04459	5.1
132.08110	0.3
133.02878	2.0
133.06439	0.3
133.10178	0.4
134.06030	0.9
134.09633	0.3
135.11697	0.5
136.11174	1.0
137.06000	0.5
137.13210	0.5
139.03893	0.7
143.06013	0.6
144.04448	0.3
145.05153	1.7
146.05980	1.4
147.04459	0.3
147.05493	1.0
147.08058	0.3
147.11685	0.4
148.07555	2.9
149.02354	0.3
151.07523	0.9
151.11162	0.7
152.10635	0.4
153.12773	0.4
155.07140	0.3
157.10136	0.3
159.02892	0.9
160.04015	0.4
160.07538	0.8
161.09578	0.3
162.09105	0.8
162.12779	4.7
163.13452	0.4
164.10698	0.3
164.14311	1.3
165.05458	1.2
170.04738	0.8
171.05522	1.1
172.03938	33.2
173.04533	1.1
174.05495	0.4
175.11212	0.3
176.10667	0.4
176.14384	0.5
180.10196	1.4
181.10031	0.3
182.04826	0.3
182.41631	0.4
185.07132	0.5
187.04982	2.6
188.14413	0.3
189.09096	0.5
190.04997	1.2
190.12267	0.6
194.11769	1.3
198.06644	0.4
199.05070	1.8
201.06599	0.6
204.13835	2.7
204.17371	0.6
205.14545	0.8
206.15442	1.5
208.13351	0.5
212.08318	0.3
214.06110	1.5
214.15965	0.4
222.14856	0.3
229.07616	0.3
231.05115	0.3
232.06013	2.0
232.16933	4.4
233.19131	0.4
237.16748	0.3
250.18044	0.6
272.08090	0.4
274.07346	0.3
289.25131	0.4
300.07687	7.8
300.55899	0.3
301.08444	30.7
302.08749	1.6
305.24847	0.4
306.25064	0.4
307.26105	0.6
318.08722	1.8
325.27322	1.2
328.07132	0.5
332.10349	1.0
359.11127	0.5
360.09784	100.0
361.10074	5.6
378.10834	39.1
379.11136	2.5
523.28571	0.4
541.29944	0.6
582.30542	0.4
583.30811	1.0
608.28491	0.5
626.29358	29.3
627.20355	0.5
627.29926	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	626.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01871	3.9
55.33941	1.0
56.39794	1.0
57.03439	5.7
61.02932	9.2
63.07212	1.1
65.03935	2.4
68.99783	1.7
69.03429	33.7
69.09418	7.8
71.05003	2.1
73.02916	9.9
77.36243	1.2
81.03423	21.6
83.04996	1.8
85.02907	100.0
87.04465	28.9
91.03963	5.4
93.03402	2.6
97.02895	37.6
99.04460	7.7
101.02371	1.5
103.03939	17.3
107.04970	6.6
108.04496	3.7
109.02889	16.7
111.04449	13.5
115.03930	84.9
121.03933	1.5
127.03918	49.3
133.04973	30.9
135.04477	2.0
139.03903	36.0
145.04962	58.6
153.05519	1.6
157.04970	3.2
161.03940	1.2
163.03920	7.7
163.06012	11.4
171.06528	53.8
172.06931	1.6
175.06065	5.6
177.05479	2.8
181.04988	4.3
183.06535	2.1
184.50961	1.2
195.06532	14.3
205.04953	1.9
207.06512	4.3
209.07938	1.8
213.07570	12.1
215.00285	1.2
217.07074	7.6
233.08165	1.6
237.07533	13.4
241.07021	5.0
259.08121	15.8
261.07611	10.3
277.09174	27.2
279.08612	13.6
297.09579	8.6
308.18640	2.5
367.58209	1.3
411.13116	1.6
626.24023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53149	0.3
53.03935	0.9
53.83841	0.3
54.11683	0.3
55.01860	1.0
57.03428	1.0
61.02914	1.1
69.03427	4.8
71.04974	0.6
73.02913	0.8
81.03427	2.7
85.02901	8.7
87.00834	3.9
87.04488	0.4
91.05477	1.1
95.08604	0.5
97.02889	3.4
98.22617	0.8
99.04437	1.1
103.57332	0.4
105.01850	2.9
105.07057	0.5
108.88152	0.3
109.02867	2.2
110.09531	0.3
111.04454	0.5
115.03925	4.5
115.05440	1.0
117.07002	0.5
121.05760	0.4
125.02290	0.5
127.03918	3.8
128.06224	1.6
129.06998	5.1
131.04942	1.2
131.08568	5.8
132.93146	0.4
133.04985	1.0
137.05962	5.1
141.06972	5.0
143.08545	1.3
144.05690	0.4
145.04942	1.5
145.06464	1.0
149.06012	0.4
151.03864	0.5
151.07559	1.7
157.06474	4.7
158.07234	2.0
159.02882	1.4
159.08052	5.7
160.05176	1.2
161.04456	2.5
161.05714	0.5
161.09590	0.7
162.06706	0.8
163.07475	1.0
169.06464	2.6
170.07262	1.6
171.08005	1.9
173.05939	0.4
174.05313	0.8
174.06754	12.5
175.07532	4.7
177.09032	0.6
186.06712	3.3
187.07510	0.6
188.08276	1.1
189.09102	25.0
190.09488	0.8
191.10701	1.9
201.09105	8.5
203.10660	10.5
207.10155	0.9
210.14853	1.7
213.12430	0.4
219.10153	100.0
220.10515	3.3
221.11740	1.5
231.04846	0.6
237.11162	1.0
247.04471	1.5
261.08902	0.4
263.10651	0.4
265.05573	0.9
274.17914	0.8
327.12354	0.4
341.13684	0.8
371.09763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05467	1.0
56.01794	0.4
57.03387	0.6
67.05455	1.8
68.04979	0.6
69.03426	2.7
69.07032	0.6
70.06543	0.6
71.04942	1.2
71.07346	0.5
71.47077	0.5
79.05431	2.0
80.04955	1.6
81.03386	1.0
81.07003	1.2
82.06517	1.2
83.01344	4.2
83.04896	0.6
83.07373	3.0
85.02906	3.6
86.06014	1.0
86.09648	0.8
91.05416	2.0
91.05923	0.5
93.07042	3.4
94.06501	1.4
95.04914	1.5
95.08548	1.6
96.08136	4.1
97.02831	1.3
97.06499	0.5
99.04425	0.5
104.32780	0.4
105.06973	2.0
106.06512	0.5
107.08601	3.0
108.08037	1.5
109.02890	0.6
109.08755	0.4
109.10099	0.5
111.08023	1.9
111.11506	0.4
115.03949	4.8
117.06966	0.9
119.08534	1.7
120.08054	1.8
121.06493	0.8
121.10119	0.8
122.09599	2.0
124.11169	0.7
126.12727	0.8
127.03870	2.3
129.05457	0.5
129.06931	1.0
131.08504	1.3
133.04900	1.4
133.06473	1.0
133.10089	0.6
134.09561	1.1
135.04396	0.5
135.07985	0.5
135.11691	2.8
136.07497	0.8
136.11237	2.8
137.05910	0.6
137.11922	0.9
138.12785	7.8
143.03337	1.9
143.08514	0.8
145.04863	1.7
145.06427	0.8
145.10071	1.0
146.09579	0.6
147.06856	0.4
147.08009	2.2
147.11606	1.0
148.07489	1.8
148.11220	5.0
149.09627	0.5
150.12755	3.1
152.14243	0.7
153.12721	0.8
154.12170	0.6
155.07040	3.1
158.09544	0.8
159.08035	2.1
161.09555	0.7
162.09077	1.0
162.12704	1.8
164.14369	3.1
171.07980	1.1
172.11142	0.7
174.10478	0.7
174.12721	0.4
175.09857	0.8
176.10626	1.0
176.14374	2.3
177.12807	0.4
178.15848	0.6
179.16611	0.9
183.06487	0.8
185.09659	0.8
186.08946	0.6
186.12752	0.7
187.11165	0.8
187.13525	1.0
189.12723	0.7
190.12221	0.8
190.15942	0.6
194.11714	0.6
202.12285	0.5
203.14383	1.1
204.13840	6.6
204.17372	1.1
206.15361	1.1
206.18965	0.9
208.13342	9.8
211.11133	0.5
214.15817	1.4
215.14265	3.0
215.16475	1.1
216.15048	3.4
216.17223	0.7
217.15779	1.6
218.15364	0.5
229.12248	0.7
230.15376	2.0
231.13763	1.1
232.16959	6.4
233.17575	1.2
234.18340	0.7
242.15384	0.8
243.13782	0.6
243.16153	0.6
244.16997	1.1
250.17856	0.8
258.14832	3.0
260.16388	3.4
277.09058	2.3
292.18979	0.9
326.17377	0.6
342.20639	0.5
357.16919	1.0
360.21689	0.9
361.94940	0.5
368.18616	1.1
375.17688	0.5
386.19720	4.5
387.18146	2.9
404.20676	5.8
422.21759	2.0
436.23206	0.6
464.22815	60.2
465.23203	2.3
542.53546	0.5
626.28046	100.0
627.28558	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	626.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.9
53.04121	0.3
54.84417	0.3
55.01833	0.5
55.05468	0.4
57.03395	0.6
57.07028	0.4
67.05447	1.0
68.05003	0.6
68.99720	0.3
69.03429	5.0
69.03765	0.4
69.07016	1.2
70.06526	0.4
71.04951	0.6
73.02882	0.4
79.05428	1.3
80.04950	1.1
81.03422	3.3
81.07058	1.8
82.06586	1.5
82.07330	0.4
83.01315	0.5
83.04989	1.9
83.07362	1.7
83.08579	0.6
85.02905	4.3
85.06465	0.3
86.06019	0.5
87.00842	1.4
90.79190	0.3
90.86259	0.3
91.05404	1.3
93.05730	0.5
93.07059	1.7
94.06577	2.0
95.04898	0.9
95.08533	1.3
96.04452	0.6
96.08051	1.0
97.02897	1.8
97.06469	0.5
97.08859	0.5
98.05979	0.9
98.09681	0.3
98.23521	0.6
99.04443	1.5
103.05413	0.3
105.01810	0.5
105.06961	0.9
106.06544	3.0
107.04922	0.6
107.08526	0.8
108.08126	1.5
109.02911	1.5
109.06438	0.7
109.10078	0.8
110.05914	0.5
111.04366	0.4
111.08080	2.2
112.07547	0.4
113.05943	0.5
117.01756	0.4
117.05719	0.5
117.06977	0.5
118.06505	0.6
119.07249	1.3
119.08564	0.4
120.04406	0.8
120.08105	6.2
121.06429	0.9
121.08840	0.7
121.10043	1.0
122.09660	1.6
123.08018	0.6
124.11169	1.0
125.09617	0.3
126.12735	1.2
127.03905	4.4
128.04935	0.5
129.04507	1.5
129.05316	0.5
129.94104	0.3
130.03929	0.6
130.06454	0.6
131.06020	0.3
131.08485	0.4
132.03557	0.3
132.04451	5.1
132.08029	0.7
133.02872	1.9
133.08904	0.3
133.10011	0.4
134.05951	1.4
134.09557	1.2
135.08015	0.6
135.11720	0.5
136.07507	0.6
136.11232	2.6
137.05914	0.8
138.09119	0.3
138.12738	0.6
139.03925	1.6
142.83699	0.3
145.05202	1.4
145.06116	0.3
145.10007	0.5
146.05899	1.2
146.06984	0.3
146.09613	0.6
147.04384	0.4
147.05461	1.1
147.06668	0.4
147.10461	0.4
148.07574	7.2
148.11142	1.1
149.05879	0.4
149.08269	0.5
149.09529	0.5
151.07500	0.6
151.11137	0.6
152.10619	1.0
154.12218	0.6
155.05920	0.4
158.09604	0.4
159.02853	0.9
160.07506	0.5
160.11192	0.5
162.05446	0.4
162.09154	2.4
162.12781	14.5
162.39265	0.3
163.03789	0.3
163.07593	0.3
163.09903	0.3
163.13324	0.5
164.10651	0.8
164.14348	3.9
165.05507	1.6
165.09094	0.5
167.07008	0.5
170.04739	0.6
171.05460	1.0
172.03937	28.2
172.11137	0.3
173.04370	1.5
173.09610	0.4
174.12663	0.5
175.09778	0.4
176.10606	1.0
176.14244	0.7
178.15802	0.3
179.06995	0.5
180.10207	4.4
180.13750	0.6
181.10875	1.2
183.05450	0.4
187.05043	2.8
188.10593	0.6
188.14276	1.3
189.09048	0.5
190.04933	0.9
190.12268	2.0
190.15837	0.7
191.10545	0.5
193.08505	0.4
194.11758	5.0
194.15395	0.6
199.04990	1.6
201.06573	0.4
204.13847	7.3
204.17378	1.4
205.08513	0.4
205.14597	2.4
206.15425	4.0
208.13287	1.2
214.06032	1.2
214.15860	0.4
216.07787	0.3
217.08647	0.4
218.08354	0.4
219.10037	0.3
221.07957	0.5
222.14857	0.7
223.15562	1.0
227.07048	0.5
232.06021	2.1
232.16971	11.4
233.17265	0.6
237.07379	0.5
243.06448	0.4
250.17950	1.0
255.10199	0.4
257.07993	0.3
272.08170	0.7
275.08954	0.5
277.10883	0.4
285.17111	0.4
289.25046	0.4
297.24173	0.4
300.07672	7.9
301.08441	29.2
302.08749	2.0
307.25977	0.7
318.08661	1.9
325.27298	1.0
332.10281	1.0
350.69296	0.4
359.11166	1.3
360.09787	100.0
361.10074	9.0
378.10849	40.6
379.11224	4.3
379.24390	0.4
420.21658	0.4
452.24518	0.5
470.25040	0.4
541.29669	0.8
582.29797	0.4
583.30872	1.2
590.72687	0.4
608.28137	1.0
626.29614	67.1
627.29926	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	626.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98890	1.1
53.03932	2.0
55.01867	1.3
57.03435	17.2
59.05005	6.1
60.04514	3.1
61.02917	2.3
65.79228	0.9
69.03428	70.6
70.06576	2.2
71.01335	1.1
71.04985	1.6
73.02915	3.3
75.04469	1.8
77.03941	0.9
79.05498	6.2
81.03416	7.8
81.07049	2.7
83.04970	2.4
84.08152	1.0
85.02904	65.9
87.04466	49.7
91.03957	2.2
91.05482	6.0
93.07044	41.5
95.04947	3.8
95.08581	3.5
97.02891	80.0
98.03201	1.1
99.04443	4.4
102.48791	1.1
103.03929	1.8
105.04513	1.0
105.07024	4.0
107.04949	1.7
107.08586	11.0
109.02864	4.6
109.10139	2.5
111.04440	2.2
115.03928	100.0
116.04259	2.3
117.07031	1.6
121.10140	1.2
123.04379	2.2
127.03914	13.6
131.08551	1.6
133.04961	97.2
133.10104	3.3
134.05338	1.2
135.08093	1.3
135.11694	24.5
143.08549	2.8
145.04959	17.3
145.10097	1.1
147.11685	3.7
151.04004	0.9
159.07986	1.4
163.03932	1.2
163.06003	6.3
167.91136	1.0
169.04967	3.2
173.08168	1.4
175.11147	2.5
177.12752	3.8
181.05119	1.1
187.06084	1.4
204.00282	1.0
208.43497	0.9
211.06122	1.5
219.13754	1.6
223.05940	2.8
231.13684	2.6
241.07048	3.3
249.14885	2.7
259.08133	14.3
267.15900	8.5
277.09174	5.0
285.17239	2.1
295.10239	17.9
297.17062	2.7
312.13101	1.5
319.17377	1.7
325.11221	4.2
342.26352	1.5
491.56488	1.1
626.22766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.9
58.06592	1.6
58.33691	1.0
60.08157	4.3
67.05502	1.3
69.07050	3.1
71.07376	4.7
71.46450	1.4
79.05494	1.4
81.07059	2.5
83.08620	2.7
86.09708	24.5
93.07056	1.7
94.38230	0.9
95.08613	3.0
97.57652	1.0
104.10741	100.0
105.11068	1.5
108.46792	0.9
108.69506	1.0
121.10120	1.1
128.70538	1.0
146.98172	17.2
147.69292	1.1
171.41045	1.4
176.99280	1.2
181.84125	1.1
198.97453	1.8
203.00790	9.7
246.98405	1.3
262.08127	9.3
288.04544	1.2
318.46954	1.0
339.28918	7.0
340.79434	1.2
377.65012	1.1
463.21970	35.0
464.22247	1.3
485.26422	30.1
486.27161	1.8
540.30444	1.1
544.33710	64.5
545.34308	2.8
566.31415	1.4
626.32983	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	626.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01864	5.0
55.05510	21.8
57.03438	5.7
57.07071	15.8
59.04994	3.5
65.03929	2.3
67.05509	32.9
69.00545	2.4
69.03103	3.0
69.03439	23.7
69.07067	60.1
69.97007	2.3
70.07410	2.5
71.04983	7.9
71.08632	6.4
79.05483	20.7
80.30479	2.6
81.03417	17.4
81.07059	83.2
82.07397	3.0
83.04985	9.0
83.08622	30.1
85.02902	30.2
85.06559	8.5
87.00832	11.9
87.04465	6.9
91.05489	25.8
93.07047	91.7
94.07384	2.9
95.04975	25.0
95.08608	80.2
96.08946	2.4
97.02893	12.0
97.06537	13.4
97.10150	14.6
99.04462	7.4
99.08060	3.4
105.01866	7.7
105.04520	2.6
105.07038	27.4
107.04960	3.8
107.08598	46.4
109.02891	9.9
109.06518	11.5
109.10155	50.9
111.08069	19.9
111.11716	6.7
113.06039	3.0
115.03890	4.0
117.07038	4.0
119.08604	26.6
121.06493	11.8
121.10154	46.8
122.10495	2.8
123.08045	7.0
123.11691	33.7
125.09609	7.3
127.03912	23.7
127.11200	6.1
128.02599	2.3
129.07001	2.9
131.08589	13.9
133.06471	3.3
133.10123	19.8
135.08073	2.5
135.11722	25.9
137.09656	4.1
137.13239	10.9
139.11183	5.6
145.04958	7.3
145.10150	23.3
147.04408	3.8
147.08081	3.9
147.11705	17.5
149.13255	26.1
151.07553	5.2
151.11197	9.0
151.14828	4.2
153.12712	6.5
159.02821	3.0
159.11726	16.5
161.13284	11.3
163.11209	5.8
163.14856	8.7
165.12804	3.9
167.14369	6.4
169.12282	3.4
171.11864	2.5
173.09596	10.0
173.13310	4.7
175.14838	6.9
177.12820	3.8
177.16386	9.3
179.17934	2.8
181.12219	5.8
185.15268	3.8
187.11279	3.2
187.14883	3.0
189.09058	3.0
189.16449	5.2
191.18063	2.9
195.17462	2.5
196.17889	2.5
201.16429	3.0
203.17940	4.7
205.19643	2.6
215.10747	10.3
215.17986	6.9
231.05075	5.8
231.21027	3.2
233.11693	7.8
239.08890	3.5
241.67757	2.6
245.22678	2.8
259.24136	4.4
261.25623	3.5
268.13455	2.8
271.24185	26.0
277.25262	6.0
279.23199	8.6
289.25253	48.2
295.26279	9.7
297.24109	7.2
307.26318	100.0
308.26526	6.5
325.27362	49.1
326.27621	3.6
343.28439	7.5
386.61722	3.2
387.08978	10.7
388.09506	12.6
388.21072	4.2
519.29797	3.5
583.30627	4.5
626.20905	3.1
626.28699	14.6
627.20264	6.6
627.29517	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	627.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01867	4.4
58.71584	1.1
65.03957	5.7
67.05501	2.2
68.71609	1.0
69.03409	1.5
70.43323	2.5
75.04481	3.8
77.03936	1.3
78.04704	6.5
79.05496	5.9
81.03416	1.7
82.04226	1.4
84.08134	1.4
85.02898	5.0
89.03935	1.9
89.06020	1.2
91.05478	17.4
93.03416	14.8
93.07047	5.3
95.04975	8.0
97.06532	4.7
98.22810	1.4
103.05470	17.8
105.03392	2.0
105.04519	3.1
105.07051	6.6
106.04177	26.6
107.04965	7.0
108.02148	1.1
109.06515	1.6
110.03667	2.3
115.05455	3.8
117.03369	2.2
117.07035	2.8
118.04186	2.4
119.04976	3.0
121.06506	31.4
122.03642	2.0
123.04442	5.3
124.05202	2.5
125.05984	9.4
131.04912	9.4
132.05736	2.0
133.02846	2.1
133.06433	6.5
134.03622	6.0
135.04414	2.1
135.08072	1.7
137.05992	8.3
138.03134	1.2
139.07518	1.9
144.05687	1.2
145.02876	1.5
145.06491	3.0
147.04408	1.7
148.05183	7.5
149.05978	49.3
151.03918	2.2
151.07524	3.6
152.04729	2.1
153.05469	4.7
153.09102	12.2
155.06042	1.6
161.05975	5.5
163.07521	12.0
166.06291	1.2
167.07043	33.6
167.08479	1.9
171.06567	1.9
173.06001	3.9
175.07538	1.3
176.04631	2.1
177.05476	31.9
181.04964	34.1
181.08572	27.1
187.07518	1.9
191.07031	41.9
193.08586	1.3
203.07097	1.7
205.08687	2.0
207.06554	1.3
209.08090	100.0
210.08409	1.8
210.14859	1.8
219.10139	2.6
233.08057	4.4
235.09682	3.5
241.12259	1.2
250.46970	1.2
250.84285	1.2
257.15509	1.2
263.09183	4.7
267.10239	1.9
325.10605	2.4
355.11606	1.4
357.13263	2.7
367.11942	1.2
385.12659	3.2
417.15543	5.1
421.34357	1.2
627.29169	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	627.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24237	0.3
60.33881	0.3
64.27906	0.3
67.05492	0.5
69.03440	0.3
69.91648	1.0
82.34017	0.3
86.06084	0.3
95.04967	0.7
101.25109	0.3
137.09651	0.9
140.07057	0.6
176.78951	0.3
177.12781	0.5
205.15912	0.8
216.15565	0.3
232.16905	0.7
233.15266	0.7
250.18004	1.7
278.17468	2.8
296.18552	100.0
297.18906	2.8
301.11530	0.3
455.99277	0.3
469.38440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03012	0.6
65.00571	0.7
67.05489	0.7
89.06046	0.6
91.05495	0.9
103.88847	0.6
121.10149	0.6
258.17578	0.7
259.14307	0.7
290.20169	0.6
317.20990	1.0
319.44601	0.6
333.20297	1.3
609.40662	1.1
627.42297	100.0
628.42572	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	628.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20881	3.1
55.14522	3.0
56.09501	2.8
59.02948	3.2
61.47116	3.0
64.17161	2.7
65.03924	5.0
68.99787	7.0
69.92288	2.8
70.06586	13.3
71.04987	25.4
72.05322	7.4
72.08173	2.8
75.04498	3.2
79.05494	7.0
81.03427	2.9
84.08157	5.6
85.02904	34.0
86.03241	9.3
86.09731	4.1
87.03305	4.7
91.05462	19.5
93.03421	3.1
95.04984	8.7
98.23569	5.1
101.02357	2.9
105.03384	4.1
107.04958	8.4
110.03678	3.6
111.04419	4.2
117.03394	3.7
119.04942	9.4
121.02869	5.8
123.04375	5.6
125.05988	5.8
127.03927	3.1
129.05443	4.5
133.02846	9.1
133.06512	6.8
135.04402	14.3
137.05992	13.5
137.12027	3.4
139.07451	3.3
147.04399	5.1
150.12843	3.3
151.03874	6.2
153.01840	7.8
153.05479	13.4
154.02272	4.5
155.07059	6.4
163.03900	22.8
164.14310	5.1
165.05507	24.3
167.07042	8.0
167.53893	2.9
177.05476	8.7
179.07072	5.6
180.04218	9.0
180.07820	13.1
181.04965	59.6
193.04973	9.5
195.06500	10.0
201.05367	3.5
206.13419	2.8
207.06586	12.8
208.07300	42.6
210.14867	3.8
211.15208	5.5
219.06526	4.6
223.06003	92.2
224.06511	4.2
225.07591	81.7
226.08418	28.6
229.04817	3.7
259.05133	3.8
275.18747	9.1
286.04401	3.9
302.04254	6.5
303.04538	11.2
304.04718	9.9
305.04892	6.1
317.06552	62.9
318.06891	100.0
319.07111	86.7
320.07391	70.3
344.97858	3.4
352.60269	3.4
353.13739	6.6
399.10843	3.6
417.11905	4.6
449.14737	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	628.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01873	3.2
57.03443	1.4
58.58868	1.1
59.02043	1.3
61.02917	2.1
69.03426	15.2
70.06593	2.6
71.04994	2.8
73.02903	3.1
81.03419	13.9
81.07056	3.6
83.52728	1.1
84.08157	1.3
85.02911	38.9
85.03421	2.6
86.09711	2.5
87.00827	14.5
93.07058	1.9
97.02895	19.9
98.23447	2.5
99.04464	5.9
105.01875	12.6
105.07003	8.3
106.54385	1.4
108.67135	1.3
109.02881	16.6
117.01792	2.0
119.04972	1.4
127.03921	27.7
129.01862	2.1
129.07004	3.0
131.08583	4.1
141.07021	1.7
143.08553	7.2
145.04955	10.9
147.60840	1.6
149.06007	2.6
153.06900	1.2
155.08569	13.8
157.06425	1.6
157.10040	5.8
159.02888	7.5
159.08066	1.4
165.06989	3.4
166.07750	1.8
167.08597	3.4
169.06499	9.1
169.10135	13.1
171.08095	3.8
171.11732	5.5
179.08589	5.7
180.09357	9.4
181.10101	10.3
182.10857	2.2
183.11745	3.9
185.09671	1.9
185.13284	5.1
187.07570	2.2
193.10075	6.7
195.08041	2.1
195.11693	61.8
196.12227	3.0
197.09637	3.9
197.13249	22.4
199.11168	2.6
199.14827	1.4
206.10954	2.4
207.11673	1.5
210.14899	1.4
211.11247	2.4
211.14868	4.3
213.09225	1.9
213.12740	28.4
214.13260	1.6
221.13264	12.8
223.11186	20.9
223.14709	7.0
225.09116	1.3
225.12845	2.7
227.10670	3.2
231.04979	8.6
239.14313	17.0
241.12231	38.3
241.15883	6.5
249.12769	4.7
251.10617	1.6
251.14722	1.2
255.13858	8.1
257.15463	13.2
259.13300	10.0
267.13803	35.5
269.15396	2.1
273.11404	1.6
273.14798	1.7
281.15326	6.2
283.16873	2.5
285.14847	77.3
286.15225	1.8
287.12860	1.8
295.13226	4.0
299.13965	0.9
299.16418	31.9
301.14371	3.8
303.15915	42.2
309.14383	1.4
313.14331	32.5
314.14673	3.0
315.15790	2.4
317.17529	3.8
319.15247	2.1
327.15796	7.3
331.15387	100.0
332.15686	3.0
345.16983	51.3
346.17126	3.4
363.18033	25.0
399.18738	1.4
453.19177	1.7
497.17889	3.3
515.19122	4.7
525.17017	1.6
533.19873	3.6
543.18176	1.5
561.19360	2.1
575.21045	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	628.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03936	0.6
55.01861	0.6
57.03428	0.8
61.02906	1.2
64.95995	0.2
65.74729	0.2
68.72454	0.2
69.03426	3.0
69.14165	1.1
70.06581	0.4
70.53206	0.2
71.05000	0.2
71.46374	0.2
73.02917	0.2
77.03936	0.4
78.01502	0.2
79.05489	3.1
79.66610	0.2
79.70190	0.2
81.03422	1.6
85.02902	15.3
86.04025	0.2
91.03957	0.6
91.05463	0.9
93.07043	0.8
95.04967	0.9
97.02888	3.8
98.23457	0.4
99.04469	0.6
103.05471	3.3
103.47445	0.2
105.04528	0.4
105.07030	15.7
106.07391	0.4
107.04958	0.3
107.08599	0.6
109.02877	1.3
109.06454	0.2
117.07027	0.3
120.05719	2.4
121.06503	10.2
122.09666	0.4
127.03907	3.5
133.06497	0.2
133.10143	0.2
135.08047	100.0
136.08383	2.3
137.11952	0.3
145.04953	5.6
150.12767	0.5
151.11166	0.3
163.06036	1.8
164.14404	0.4
165.15186	0.3
177.05453	0.2
177.09113	0.4
179.10683	3.3
180.08681	0.5
210.15028	0.2
271.89014	0.3
275.18787	1.3
276.19598	0.7
287.16400	50.9
288.16711	2.0
317.17413	0.3
329.17511	0.3
373.11536	0.2
409.20297	0.2
449.21613	0.3
628.28412	0.3
628.38739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05488	1.1
57.03436	10.6
58.80330	1.0
59.04985	2.8
61.02911	1.3
61.81693	1.0
67.05496	1.4
69.03426	47.2
69.07063	1.3
70.06601	1.2
71.21968	1.0
71.86298	0.9
72.08149	2.7
73.02899	2.4
79.05480	7.3
81.03426	2.9
81.07056	100.0
84.30143	0.9
85.02901	46.3
86.09703	3.9
87.04469	36.0
91.03951	1.1
91.05433	1.4
95.08609	6.5
97.02893	53.9
99.04487	3.0
103.03964	1.9
107.74378	1.0
109.02892	2.1
115.03927	83.4
119.04943	1.2
120.08165	1.2
122.09634	1.4
124.11214	0.9
127.03908	9.8
133.04965	79.1
135.04391	1.1
136.07562	9.2
137.12222	2.1
137.13257	20.4
144.65962	1.0
145.04961	16.5
150.12743	2.5
151.03966	1.5
163.06015	8.7
164.14365	2.6
169.04951	1.6
173.12851	3.1
193.05043	1.2
201.12334	1.3
210.14911	3.0
211.15054	1.8
223.05971	1.7
229.07031	1.6
235.14465	1.8
240.07806	3.2
241.07074	4.5
259.08130	18.3
263.13837	1.8
269.15262	2.3
272.04099	1.0
273.05820	4.7
275.18719	4.5
276.19604	5.3
277.09116	5.6
295.10208	30.8
299.18576	1.9
317.19473	3.1
325.11194	7.1
332.15836	1.6
350.17041	1.2
366.98456	1.0
374.62076	1.1
628.27557	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	628.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75942	1.9
52.05584	2.2
53.03941	6.3
55.01863	8.7
55.05515	23.4
57.03433	19.9
60.34261	2.0
65.03929	4.5
67.05159	3.7
67.05506	67.0
69.03437	4.4
69.06703	4.0
69.07068	50.6
69.94753	4.2
69.95093	3.6
69.98483	2.3
71.04995	24.0
71.97973	2.2
73.02908	3.4
79.05498	71.7
81.03418	50.4
81.07056	73.9
82.07430	2.0
83.04981	28.6
83.08630	24.6
85.02900	12.7
85.06544	4.5
91.05482	62.5
93.07044	52.7
95.04966	35.0
95.08601	38.0
97.06534	100.0
97.10170	6.4
99.04451	2.3
99.08096	7.7
105.04529	3.9
105.07037	50.6
107.04939	13.8
107.08586	22.1
109.06506	17.5
109.10151	10.2
111.04400	5.2
111.08089	17.7
113.05991	4.8
115.05437	3.2
115.07567	32.0
117.07018	19.4
119.08574	35.0
121.06477	6.5
121.10167	19.4
123.08067	5.7
123.11674	2.9
125.09623	3.0
127.07548	2.7
129.06979	17.7
130.07706	2.5
131.08580	26.7
133.06500	5.0
133.10123	26.6
135.08052	9.6
135.11703	5.4
137.09613	3.4
141.06941	3.3
142.07736	3.8
143.08543	6.1
145.10130	13.8
147.08038	9.2
147.11684	14.2
149.09608	12.9
149.13249	7.3
151.11154	6.1
155.08566	3.2
157.10101	17.7
159.08023	3.3
159.11682	9.5
161.09628	6.2
163.11179	5.5
165.12764	4.1
169.10196	2.8
171.11682	5.2
173.09573	2.8
173.13194	3.2
175.11205	14.8
177.12708	6.5
177.14172	2.4
185.13248	3.1
193.12257	47.3
195.13788	6.5
199.14911	2.3
211.13290	52.7
211.15140	4.4
217.15887	6.9
221.15378	3.2
227.12756	4.9
227.17798	2.9
233.15376	4.6
245.19008	6.3
253.14409	6.1
255.17354	4.7
267.15918	16.9
269.17413	16.9
273.18478	25.6
275.20099	3.5
285.16934	36.9
291.19571	17.4
347.22171	6.0
365.23169	8.4
383.24319	2.8
438.71527	2.3
461.28833	9.7
479.30212	27.4
557.34467	4.9
575.35962	10.9
628.37006	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	628.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11388	6.6
55.01867	10.8
55.05516	33.2
57.03430	21.3
57.07058	10.5
65.20119	5.7
67.05503	83.3
69.07056	19.8
69.16544	17.8
69.16942	16.9
71.04980	17.5
79.05491	75.7
79.51968	5.9
81.03412	53.9
81.07050	62.3
83.08605	24.6
91.05489	64.3
93.07051	72.9
95.04971	32.2
95.08608	66.1
97.06504	7.7
97.10165	16.2
105.07021	59.9
106.05663	6.2
107.04952	6.6
107.08605	39.1
109.06528	12.4
109.10136	27.5
111.08059	7.5
117.07040	28.5
119.08593	52.2
121.10148	49.1
123.08085	7.9
125.06022	5.8
125.09643	11.6
129.07025	23.6
131.08575	37.4
133.10144	38.6
135.08067	11.7
135.11732	14.0
136.22350	6.3
137.09724	7.6
142.07825	10.2
143.08565	18.8
145.10118	34.4
147.08011	6.2
147.11717	34.1
149.09590	10.5
157.10127	23.9
159.11703	27.7
161.13324	15.4
169.10130	11.3
171.11682	18.6
173.13310	12.8
175.11183	6.2
177.12762	7.1
183.11647	13.4
185.13298	11.4
193.12207	10.3
195.11717	6.0
197.13396	9.0
199.14854	10.0
227.12787	20.6
259.20593	19.1
267.15833	31.7
293.21466	8.3
299.23633	17.7
333.24234	13.2
371.25983	8.0
433.31210	18.1
451.31906	22.2
469.33054	14.0
493.17310	6.6
517.35132	15.3
525.35834	66.9
543.36823	100.0
555.53650	7.1
557.38312	22.3
575.39783	31.1
632.78278	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	628.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31050	1.5
55.01867	2.3
55.05514	10.1
57.03452	8.1
57.07083	2.3
67.05505	31.2
69.07061	8.0
70.06593	9.5
71.04994	4.0
71.08628	16.2
71.43219	1.8
75.04485	1.9
77.03939	1.7
78.55102	1.5
79.05499	24.9
81.03421	48.3
81.07060	30.2
82.07420	1.6
83.04987	6.3
83.08629	13.0
85.06554	1.8
91.05486	21.1
92.39642	1.9
93.07049	29.0
93.07606	2.8
95.04969	14.9
95.08624	20.5
97.06539	4.1
99.08103	10.6
105.04550	1.9
105.07024	15.2
107.04967	4.5
107.08604	17.4
109.06532	2.6
109.10165	8.5
111.08089	3.5
113.09642	2.8
117.07030	3.8
119.08590	13.4
121.06574	1.9
121.10143	14.2
123.74075	1.6
125.09573	2.0
129.07028	4.9
131.08595	6.5
133.10127	9.3
135.08029	2.1
135.11684	13.1
137.09590	2.4
143.08568	3.3
145.10141	4.7
147.08037	2.4
147.11710	6.5
149.09642	4.4
149.13272	2.9
151.11224	4.9
157.10170	4.5
159.11632	2.6
161.13304	4.7
163.11217	5.0
167.10670	1.6
171.11720	2.3
175.11247	4.6
177.12755	2.5
179.14319	31.4
183.11699	2.1
189.12756	2.2
193.12328	8.8
197.10942	1.5
213.98381	1.6
221.15523	2.2
236.16544	3.7
254.17508	5.4
267.15933	60.5
277.21619	23.1
295.22797	2.1
351.25281	14.2
466.51227	1.7
543.36847	100.0
544.37140	7.2
566.44128	7.1
610.46765	21.6
611.46454	2.0
628.46265	5.2
629.48260	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	629.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
58.61603	0.4
70.04625	1.0
70.06593	3.5
70.68359	0.4
71.04987	0.7
84.07669	0.9
84.08142	13.0
95.08608	0.6
96.08146	0.5
97.02863	1.2
100.07629	0.7
110.09704	0.5
122.09652	2.1
124.11230	1.2
136.11191	1.1
137.06001	0.6
137.11996	2.2
138.12779	1.9
143.74680	0.5
166.15904	3.2
194.15405	17.5
195.15855	0.5
201.79893	0.5
210.14874	0.8
248.20038	0.6
290.01080	0.5
292.19049	100.0
293.19397	3.1
320.18661	0.6
338.19632	7.2
395.29883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01868	6.1
55.05511	17.4
56.49999	3.7
57.03439	6.5
57.07090	9.7
66.55989	4.4
67.05514	72.7
69.07064	17.0
71.04997	5.9
71.08635	45.6
77.03928	5.3
79.05499	54.2
81.03455	5.0
81.07068	77.9
83.04999	9.1
83.08620	14.4
91.05485	41.6
93.07054	81.8
95.04974	15.3
95.08616	54.6
97.06511	6.9
97.10191	5.4
98.23518	9.4
99.08089	25.8
105.07043	23.5
107.04950	12.4
107.08599	42.3
109.06520	7.8
109.10147	20.7
114.91364	4.7
117.07035	15.7
117.25481	4.2
119.08620	24.9
121.10155	36.2
127.11116	4.1
131.08568	11.7
133.10135	15.4
135.11696	32.7
143.08548	7.6
145.10109	14.3
147.11707	11.3
149.13246	14.9
151.11188	12.0
159.11684	9.9
161.13260	15.6
163.11177	6.2
163.14870	11.6
171.11778	5.1
177.16347	6.5
179.14328	62.0
219.17435	4.5
243.21133	9.1
261.22202	16.4
277.21655	51.2
317.24820	10.0
335.25827	56.2
351.25323	41.5
510.63641	4.7
513.39294	8.8
611.46783	100.0
612.46967	7.7
629.47308	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23623	1.6
65.44270	1.7
74.09702	3.5
79.05506	4.1
85.26839	1.8
91.05469	4.6
92.02670	1.6
94.04178	2.4
95.42287	1.7
103.05489	2.6
105.07026	12.6
109.06504	3.8
115.05477	3.6
121.02885	3.2
121.06568	2.0
122.03662	7.3
128.06245	2.0
133.06494	8.4
135.04410	20.2
137.05975	97.6
138.06285	2.3
143.06117	1.8
146.03624	4.1
154.37170	1.8
161.05981	65.6
165.07155	2.0
167.07036	4.5
184.05234	5.2
199.07547	19.1
202.07793	8.4
203.08546	19.2
219.08078	5.0
220.08766	4.7
231.08041	31.1
232.08751	6.8
247.07573	4.0
248.08276	11.7
249.09021	1.9
259.07544	24.9
260.08347	15.0
263.10709	12.3
275.06934	2.3
276.07822	11.6
277.08600	5.4
291.10147	100.0
292.10721	7.6
293.08237	3.6
295.09747	2.0
308.10413	2.5
323.08954	4.4
323.12775	79.6
324.13138	2.0
385.08820	1.9
429.13181	3.1
514.89545	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	630.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91553	0.3
53.03934	0.9
55.01869	1.5
57.03448	0.4
59.26836	0.3
60.93731	0.3
61.02923	0.3
63.79457	0.3
65.03939	1.9
65.33058	0.3
66.21745	0.3
66.46593	0.4
67.05500	0.6
68.99786	1.9
69.03415	0.9
70.06577	0.9
70.59182	0.3
75.04488	1.9
77.03926	0.4
78.04704	1.5
79.05487	2.1
81.03410	0.5
85.02905	3.7
86.09692	0.5
89.03915	0.9
89.06023	0.7
91.04944	0.7
91.05482	10.1
93.03404	7.3
93.07048	3.9
95.04963	3.5
97.02872	0.9
97.06529	1.5
103.05468	3.8
105.04531	1.1
105.07021	1.2
106.04169	14.9
107.04955	2.3
109.02890	0.4
109.06515	0.8
111.04459	0.5
111.08037	0.4
117.03355	1.7
118.04128	0.6
119.04969	2.0
121.02846	0.6
121.06506	19.0
122.06762	0.4
122.33262	0.3
123.04430	1.7
123.08076	0.5
124.05234	0.6
125.05993	5.7
127.03922	0.6
131.04933	3.0
131.05920	0.6
132.05693	1.1
133.02853	0.6
133.06485	1.4
134.03613	3.2
135.04399	3.0
136.05225	0.5
137.05997	2.1
138.06754	0.9
139.07524	2.6
145.02855	1.2
145.04965	0.9
147.04401	0.6
148.05194	1.9
149.05978	32.4
150.06396	0.4
151.07532	1.8
152.08328	0.8
153.05473	1.4
153.09113	7.7
154.06230	0.6
155.06990	0.7
159.04425	0.6
160.05209	0.5
161.05934	0.5
162.03127	0.7
162.07631	0.8
163.03909	5.7
163.07506	2.2
165.05443	0.8
166.06284	0.6
167.07056	5.4
167.56631	0.4
177.05467	16.6
179.07002	0.9
180.04195	1.6
180.07651	0.5
181.08595	13.6
182.09227	1.0
183.06490	0.5
191.07028	6.4
192.07835	4.0
193.08618	0.8
195.06531	2.3
205.04982	0.4
209.08090	100.0
210.08476	2.4
219.72997	0.4
223.06013	13.5
225.07567	2.7
261.07712	0.4
383.11624	0.6
401.12219	0.8
403.14011	0.5
405.15234	0.4
415.13535	0.7
418.22430	0.4
453.23355	0.4
473.81015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
59.18070	0.5
67.02990	2.6
67.05512	0.6
68.05029	0.7
69.03433	6.5
69.07082	1.7
69.40083	0.5
70.49324	1.0
70.49656	0.6
79.05514	1.4
81.03445	0.8
81.07062	1.3
85.04024	0.5
86.06075	0.7
86.09709	13.4
86.10223	0.9
91.05481	4.8
93.07060	0.8
95.08614	0.6
96.04498	1.9
96.08160	0.9
97.06531	1.0
98.06071	1.1
104.02144	0.5
105.07021	0.5
110.06065	2.3
111.05595	0.8
113.03465	0.6
114.05523	0.7
114.09168	1.5
119.08579	1.1
121.06512	0.8
121.68092	0.5
127.03930	0.5
131.08592	0.6
133.10095	0.7
134.91217	0.5
135.04442	0.6
138.05482	3.0
139.04991	0.7
140.07080	1.0
141.10233	2.1
146.06053	1.3
153.06592	1.5
158.06004	0.6
163.05046	0.7
164.03351	0.5
164.07072	1.5
165.06595	0.9
166.05016	7.1
172.06255	1.2
181.06105	1.5
183.07671	2.4
186.05630	0.6
188.05743	0.6
189.06641	1.5
190.05066	0.6
191.04536	1.5
192.02960	0.7
200.05789	0.8
207.07626	0.6
208.07181	0.8
209.05582	5.4
214.05042	0.8
217.06075	2.5
217.08868	1.6
218.07275	1.1
218.09657	3.5
219.06052	1.1
219.08058	16.3
220.07579	72.2
221.08157	2.7
223.14380	0.6
226.08211	0.8
228.08064	2.1
229.06129	0.7
234.08952	0.7
237.10248	2.2
244.07584	1.2
245.08356	1.6
246.09160	42.0
247.09966	1.0
248.10678	2.1
249.12369	1.3
257.05621	0.6
257.11588	0.8
258.06354	0.9
262.08630	1.2
263.08133	1.8
263.11765	2.0
264.10211	35.5
265.10428	0.8
268.08475	0.8
268.11938	0.6
269.12732	1.0
270.09097	2.5
274.08658	11.1
276.10217	1.4
276.13406	2.1
277.11673	1.5
288.10223	1.4
289.09720	1.4
291.11255	2.6
292.09692	41.0
293.10114	2.0
294.14679	1.2
296.11450	0.9
304.12854	0.9
307.22299	0.6
309.12360	17.0
313.09592	0.9
315.07751	0.7
315.11267	0.8
317.08862	1.7
317.12640	1.0
319.10715	1.2
321.15915	0.8
322.13934	3.6
339.16721	0.6
341.09094	1.0
342.07523	0.7
342.11313	1.6
354.23184	0.6
357.12088	1.4
374.19675	3.2
376.16193	0.9
381.12631	0.7
383.09897	0.9
383.14182	1.0
401.15039	1.2
402.18085	1.6
409.11783	2.4
411.13162	2.0
422.20908	3.1
427.13141	0.6
429.14383	0.9
455.12073	2.1
472.14960	0.7
500.14536	6.5
517.16858	1.2
539.22516	0.8
558.22742	1.4
567.22113	1.3
584.24927	4.9
585.23102	1.8
595.21655	0.9
602.26129	5.3
609.88831	0.6
612.24579	15.9
613.23181	4.8
629.31122	2.4
630.25116	100.0
631.25531	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	630.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
54.34906	0.3
55.01890	0.4
55.97506	0.2
56.59943	0.3
57.03430	0.3
61.02923	0.9
67.05494	0.3
69.03429	1.6
69.07055	0.3
70.06605	0.3
71.45803	0.3
77.03951	0.5
79.02566	0.3
79.05491	3.7
81.03423	0.4
83.01290	0.3
84.08135	0.6
85.02902	6.8
91.05481	2.0
93.07041	1.3
95.04961	0.8
96.08099	0.4
97.02892	1.9
99.04478	0.5
103.05463	2.2
105.07029	16.5
106.07350	0.4
107.04983	0.3
107.08574	1.3
109.02870	0.6
109.06512	0.9
119.04972	0.4
119.06059	0.6
120.05711	2.7
120.81599	0.3
121.06505	12.4
127.03924	2.0
133.02853	2.1
133.06516	0.3
134.03183	0.6
135.08051	100.0
136.08395	1.7
137.05945	0.7
145.04953	2.1
147.07968	0.3
150.12772	0.3
151.03854	0.3
151.07562	0.3
151.61058	0.3
153.05432	0.3
153.09120	0.9
163.06020	0.8
163.07573	1.9
177.09097	0.3
180.08676	0.4
181.08595	24.5
182.08942	0.4
189.09109	4.1
190.09395	2.6
257.53644	0.3
271.13297	2.2
275.18893	0.7
276.19507	0.4
277.20193	0.4
289.14334	58.3
290.14661	2.0
331.15463	0.5
398.68610	0.3
500.21167	0.9
541.36633	0.3
612.26843	0.6
630.19293	2.0
630.29840	0.3
631.19391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
53.83001	0.2
54.34977	0.2
55.01868	0.6
57.03425	0.8
61.02921	0.6
64.98670	0.2
67.05497	1.0
68.99786	0.7
69.03421	2.6
70.06586	0.4
71.04979	0.6
73.02911	0.3
79.05488	1.7
81.03410	0.5
81.07050	0.7
83.01342	0.8
83.08598	0.3
85.02900	6.1
86.68573	0.2
91.05453	1.3
93.07061	0.4
95.04955	0.8
95.08601	3.5
97.02895	2.2
99.04456	0.9
99.43538	0.2
103.05465	0.9
103.09615	0.2
105.04559	0.3
105.07030	4.9
107.04952	0.8
108.05712	0.4
108.08122	0.2
109.02883	0.5
109.06526	1.2
109.10149	0.2
117.05471	0.3
119.04916	0.4
120.05695	0.3
121.06504	1.1
123.04361	0.2
123.08067	5.3
123.08902	0.4
127.03906	1.8
132.05647	0.3
133.06483	5.5
133.07484	0.3
134.07239	0.7
135.04387	1.0
135.08080	1.3
136.05183	3.2
137.05978	2.1
137.12015	0.2
139.07616	0.4
141.06972	0.3
145.04964	1.7
145.06407	0.3
147.08055	0.9
149.06012	0.6
150.06758	16.5
150.09138	0.9
150.12784	0.5
151.07535	100.0
152.07874	2.3
153.09042	0.2
159.08034	0.3
160.05263	0.2
161.06067	0.2
162.07645	0.3
163.06038	0.4
165.09109	34.7
166.09435	0.6
167.07074	0.2
171.08063	0.2
173.05988	0.2
175.07523	2.7
177.05421	0.2
179.08560	0.5
182.11755	0.3
188.08174	0.4
189.09109	0.6
190.12305	0.6
197.09613	1.1
200.10600	0.2
201.09206	0.2
203.07060	0.2
206.11743	0.6
208.13191	0.3
209.08083	0.4
210.06813	0.3
210.14957	0.3
211.11237	0.2
211.15161	0.3
217.08629	1.8
218.11757	0.8
219.12349	0.2
224.08365	0.3
225.09073	2.8
226.09521	0.2
227.10359	0.2
228.05656	0.3
229.12250	0.4
234.14876	0.7
239.06966	0.3
239.10687	0.8
241.08528	0.6
242.09338	1.3
243.09798	0.8
243.13631	0.2
245.57274	0.2
247.09856	0.4
253.08534	0.4
253.21701	0.2
254.09009	0.5
257.08841	0.4
257.11722	7.2
258.12091	0.4
259.09750	0.3
265.12518	0.2
271.09821	0.2
271.13226	0.8
275.18930	0.6
276.15958	1.0
276.18988	0.4
277.16617	0.6
277.19424	0.3
283.13303	1.7
287.07422	0.5
288.07748	0.7
289.14322	91.9
290.14661	4.5
299.12830	0.5
301.14282	0.3
305.08398	1.6
306.08710	2.0
308.18527	0.3
309.14795	0.5
311.12717	0.5
313.14304	4.2
322.16467	1.2
323.12909	0.6
323.17206	1.5
325.14252	1.0
337.14362	0.8
341.18579	0.5
355.15381	9.1
356.15787	0.4
367.15421	0.4
379.15366	1.9
397.16364	2.5
398.16824	0.3
415.17502	2.1
418.21893	0.2
450.21082	2.8
468.22055	2.9
469.22427	0.3
630.28027	1.8
631.19489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01857	0.4
57.03431	0.9
59.01672	0.1
61.02907	0.5
63.14688	0.2
65.03934	0.2
67.05497	1.1
68.99773	0.4
69.03427	2.2
69.40861	0.6
69.41270	0.3
71.04960	0.1
77.03925	0.3
79.05030	0.3
79.05486	2.1
81.03402	0.6
81.07043	0.6
83.01359	0.9
83.04964	0.2
83.08585	0.2
85.02406	0.3
85.02905	5.2
91.03947	0.4
91.05477	1.2
93.07049	0.3
95.04971	0.5
95.08611	3.6
96.08942	0.2
97.02885	1.9
97.92302	0.2
99.04453	0.3
103.03971	0.2
103.05470	1.2
105.07024	6.8
107.04951	0.6
108.05734	0.5
109.02866	0.3
109.06519	1.1
115.05513	0.2
119.04969	0.2
119.08581	0.4
120.05685	0.6
121.06499	2.6
123.04472	0.2
123.08067	6.7
127.03900	1.2
129.84512	0.2
133.06487	4.8
135.04411	1.9
135.08064	1.3
136.05159	0.3
137.05957	2.9
139.07509	0.8
145.04941	1.8
145.06490	0.3
147.08015	1.0
149.06029	0.2
149.07092	0.2
150.06754	26.5
151.07535	100.0
152.07874	2.4
153.09079	0.6
161.06033	0.3
161.09654	0.2
163.06000	0.7
165.09108	32.2
166.09407	0.9
171.08032	0.3
175.07547	3.2
184.05347	0.2
188.08449	0.2
189.09048	0.6
197.09653	0.3
199.07729	0.2
203.07062	0.7
206.13904	0.2
212.49646	0.2
217.08592	1.7
225.09155	1.3
229.12195	0.2
239.10722	0.4
241.08618	0.3
242.09277	0.3
247.09715	0.2
257.11697	4.0
259.09747	0.2
275.18918	0.2
283.13229	2.7
289.14322	71.3
290.14673	3.8
299.12772	0.5
310.11954	0.2
311.12598	0.2
313.14301	2.6
314.14453	0.3
323.12769	0.2
325.14307	0.7
355.15369	9.2
356.15625	0.5
379.15393	1.6
397.16382	1.9
415.17542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16173	0.9
55.05524	6.6
56.05045	4.8
57.07084	4.2
60.04517	2.3
60.91892	1.0
67.05502	14.2
68.05025	1.7
69.03434	1.3
69.07066	11.0
69.26724	2.8
69.27113	1.7
70.06602	1.5
71.08623	1.2
79.05505	10.0
80.05022	2.8
81.05802	2.1
81.07056	10.4
82.06575	9.0
83.08628	4.3
85.02922	3.2
91.05470	9.8
93.07045	11.6
94.06569	22.4
95.04996	1.7
95.07351	12.0
95.07954	1.4
95.08054	1.5
95.08595	9.7
96.08136	6.4
97.10152	1.7
105.07033	8.0
107.08595	5.6
108.08116	2.4
109.10162	3.4
119.08566	7.9
121.10154	7.1
122.09651	3.0
133.10141	3.9
135.11708	4.0
149.43370	1.1
163.14798	1.1
170.98643	1.0
174.86771	1.0
188.16484	5.3
233.22676	4.0
245.22623	5.4
250.25352	8.2
262.25305	100.0
263.25665	2.4
280.26462	5.8
420.38315	5.7
432.38367	23.9
434.39960	5.3
450.39407	22.8
452.54816	1.0
612.44916	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	630.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.1
55.01885	5.0
55.05513	28.3
57.03438	13.9
57.07076	8.8
59.05007	5.3
61.34115	2.9
65.03948	4.3
67.05509	79.2
69.03437	7.1
69.07071	22.9
71.04997	8.6
71.08670	4.1
79.05494	54.3
81.03417	35.9
81.07059	77.3
83.04963	6.7
83.08623	20.8
85.06562	8.1
87.04517	3.7
91.05482	41.1
93.07051	64.1
95.04974	19.3
95.08620	45.8
97.06554	6.9
97.10172	14.6
98.21156	3.0
98.23440	8.0
99.08079	3.4
105.04510	3.1
105.07029	41.2
107.04971	4.6
107.08595	30.4
109.06528	5.0
109.10143	25.4
111.08101	9.9
117.07000	15.5
119.08567	31.1
121.06546	8.6
121.10130	25.6
122.59504	2.9
123.08074	13.4
123.11726	7.6
125.09627	18.0
129.07033	13.7
131.08566	29.8
133.10155	22.7
135.08044	4.1
135.11726	13.4
137.09618	7.0
137.13203	5.0
143.08606	17.9
145.10129	20.3
147.08012	5.3
147.11690	12.3
149.09686	6.7
149.13251	7.3
155.08582	8.4
157.10175	11.1
159.11685	11.5
161.13277	7.9
163.11200	6.0
163.14890	3.3
165.07059	3.4
167.10666	8.5
169.10143	6.6
171.11682	11.0
173.11903	3.9
173.13297	8.4
175.14854	5.2
177.12717	3.9
179.14395	5.3
181.10255	3.7
183.11763	5.2
185.13353	6.5
187.14880	7.4
189.11255	8.7
189.16420	3.7
193.12280	9.5
195.11714	4.4
197.13330	5.3
201.16306	3.2
209.13354	4.6
213.16464	4.5
221.15358	6.0
225.16443	3.5
227.12817	14.9
243.21162	7.0
261.22098	4.3
267.15942	25.1
287.23593	4.0
301.25311	15.4
335.25742	14.6
341.25015	3.7
388.21133	4.4
417.31726	4.5
421.25720	4.0
435.32581	12.7
453.33566	13.7
471.34543	8.6
491.35266	3.7
509.36563	7.3
519.36407	9.0
527.37341	93.8
528.37994	5.8
545.38361	100.0
559.40289	18.9
577.40906	35.7
631.43457	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	630.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.9
57.03428	2.0
57.07076	35.0
59.05001	1.9
65.03931	0.9
67.05506	12.3
69.03432	1.1
69.07067	4.6
71.04987	1.1
71.08631	23.3
71.56171	0.6
73.06557	10.0
79.05496	7.3
81.03417	4.2
81.07053	11.0
83.04978	1.3
83.08616	5.5
85.06548	1.5
85.10182	19.9
87.04479	7.7
89.06032	100.0
91.05475	8.2
91.07607	1.2
91.39619	0.6
93.07044	12.0
95.04980	3.1
95.08617	7.0
97.06518	1.7
97.10161	5.5
97.38191	0.6
99.04448	1.0
99.08074	1.3
99.11736	4.2
105.07027	7.1
107.04954	0.9
107.07066	2.1
107.08590	6.8
108.08341	0.6
109.06528	1.3
109.10168	5.1
111.08127	0.8
113.06085	0.6
113.09699	0.6
113.13300	1.2
117.07050	2.4
117.09145	7.8
117.35841	0.6
119.08578	6.4
121.06477	1.1
121.10139	5.8
123.08059	1.2
123.11709	1.4
123.14748	0.5
125.06063	0.8
125.09594	1.5
127.39508	0.6
129.07005	2.0
130.08643	1.7
131.07047	3.3
131.08565	4.0
133.08604	53.3
133.10037	3.0
134.08897	0.7
135.08011	1.0
135.10193	1.3
135.11713	2.3
137.09651	1.1
141.07014	0.6
143.08578	2.1
145.10135	3.4
147.08087	1.2
147.11707	2.0
149.09605	1.3
149.13304	1.1
155.08572	1.5
155.17978	5.4
157.10155	2.3
159.11729	2.1
161.09662	0.7
161.11755	2.5
161.13193	1.1
163.11191	1.5
167.10699	1.2
169.10152	1.2
171.11690	1.5
173.13245	1.2
175.09624	1.8
175.11116	0.9
175.14897	1.0
177.11234	21.6
177.12624	0.8
179.14334	1.8
181.12263	0.7
183.11670	1.1
185.13310	1.5
187.14899	1.2
189.11246	1.2
195.11919	0.7
197.13348	0.8
199.14946	0.9
199.20555	5.2
221.13705	5.1
223.15282	1.5
227.12766	1.2
229.14394	0.7
233.15327	1.0
239.14738	1.2
240.23318	1.0
243.23209	11.8
261.22095	1.0
265.16333	1.0
267.15958	2.7
269.18893	0.7
277.21729	1.5
281.90814	0.6
283.17499	1.9
287.25836	6.0
301.25317	1.5
303.23056	0.6
309.19278	1.3
327.20114	1.0
332.32248	0.6
335.25836	1.5
351.25296	0.8
353.12210	0.6
371.22797	1.1
388.21060	2.8
388.71292	1.8
389.21613	1.3
415.25162	1.0
435.32904	1.5
438.90759	0.7
453.33630	1.7
459.28058	3.5
471.34885	1.2
505.35254	2.4
509.36240	0.9
527.37341	10.3
545.38361	9.1
546.38513	0.8
559.39709	1.8
569.42352	0.9
577.19421	0.7
577.40533	2.1
613.45239	8.2
630.48047	4.7
631.38831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05496	1.4
57.07065	0.9
65.95141	0.5
67.05495	4.9
69.03426	2.2
69.07063	0.7
69.84922	0.8
69.85264	1.2
71.08642	0.7
72.12945	0.5
79.05503	3.7
81.03410	4.2
81.07067	4.3
83.08616	1.0
85.02913	1.2
89.06017	1.8
91.05471	2.4
93.07042	4.3
94.10291	0.6
95.04951	0.6
95.08613	3.5
97.02895	1.6
105.07026	2.2
107.08588	2.8
109.02874	1.3
109.10139	1.3
116.70799	0.5
117.07030	0.9
118.06545	1.5
119.08607	1.2
121.10146	2.5
127.03909	0.7
129.06969	0.8
131.08571	2.0
133.08562	0.8
133.10106	1.5
135.11696	1.1
143.08527	0.7
145.10143	1.6
146.06004	100.0
147.06342	1.7
147.11694	1.1
149.13206	0.8
159.11674	1.0
160.07549	4.0
161.13298	0.8
170.06032	1.5
173.13338	0.7
177.11266	0.6
184.07581	1.0
188.07094	5.9
192.06552	46.7
193.06824	1.2
204.06581	1.0
212.07050	0.9
216.06755	0.7
234.07588	7.9
240.15402	0.6
254.08170	2.1
258.07541	1.2
260.90717	0.5
261.22137	1.6
272.09296	0.6
282.07806	2.8
284.09271	0.7
290.27817	0.6
300.08691	1.9
327.23001	0.7
369.24207	1.0
387.25305	0.6
405.26358	1.3
435.65179	0.7
571.16260	0.6
596.32013	1.0
613.09094	0.8
631.34338	3.0
631.89227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02384	0.8
53.03941	1.4
55.01870	0.8
57.07465	0.3
61.98914	0.3
67.05489	0.4
69.39437	0.9
77.03891	1.7
79.05498	2.3
91.05480	3.6
92.02627	0.9
93.07012	0.3
95.04966	7.1
102.04689	1.0
103.05464	47.1
104.05805	0.9
105.03392	39.4
105.04423	3.7
105.07024	16.4
106.03711	0.7
107.04951	0.7
109.06548	0.5
115.05453	4.1
117.07047	0.5
118.04150	0.4
119.04934	5.0
121.06471	0.8
125.05975	1.6
128.06169	0.5
130.04126	0.5
131.04924	100.0
132.05226	1.9
133.06479	12.0
134.06808	0.4
135.04411	78.6
136.04732	1.2
137.05981	5.2
142.55222	0.3
143.06044	2.3
145.06454	0.4
146.03580	1.3
146.07245	2.5
147.04405	10.1
149.05988	0.9
151.07527	1.4
151.75862	0.3
159.08089	0.6
161.05974	39.2
162.06633	1.4
163.07536	39.2
164.07872	0.8
168.05721	0.3
171.08063	0.6
175.07559	0.5
177.05431	1.7
179.07034	8.4
184.05237	0.4
187.07512	0.6
191.07025	0.7
191.08603	0.4
199.07539	7.3
200.07925	0.3
202.07733	1.0
203.08583	2.3
219.08015	0.5
220.08737	0.5
231.08046	4.9
232.08682	0.7
235.11076	0.3
248.08319	1.0
259.07529	3.3
260.08249	1.1
263.10703	1.4
276.07687	0.6
277.08170	0.4
281.11707	0.6
291.10156	13.8
292.10678	0.9
301.10489	0.7
313.10577	1.3
321.11050	0.9
323.12732	7.0
324.13016	0.3
351.12271	0.4
413.13766	8.5
414.13937	0.6
443.14954	3.1
445.16364	1.7
475.17206	0.8
635.06665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
56.96560	1.3
58.92883	0.7
68.58627	0.7
69.14911	1.7
69.15317	3.5
77.03945	1.4
79.05504	1.9
81.03433	1.0
91.05497	2.1
92.02608	1.4
93.07060	1.0
95.04965	9.5
105.03397	38.4
105.04447	5.2
105.07039	3.3
107.04929	1.2
121.06493	2.2
122.03549	0.8
123.98095	0.8
125.05991	3.0
128.66917	0.8
129.06981	2.4
135.04422	100.0
136.04799	1.5
136.93150	2.8
137.05978	8.0
145.06581	0.9
149.06026	1.1
151.03906	0.9
151.07529	3.5
154.75822	0.8
154.94165	6.7
161.06044	1.1
163.07521	0.9
167.07068	2.0
171.75893	0.9
172.95250	7.5
185.06049	2.3
187.07562	1.3
189.09128	1.4
190.96245	1.8
193.08662	1.8
194.08852	1.0
199.07539	1.9
202.07826	3.2
203.08533	9.2
204.09268	1.0
205.06548	1.0
209.08069	1.9
210.96840	1.6
217.08632	2.4
219.08040	1.3
220.08823	3.7
228.97847	3.2
231.08080	11.5
232.08783	3.3
233.05972	1.6
237.08910	1.3
243.10316	1.2
245.09772	1.0
247.07530	3.5
248.08337	15.1
249.08975	1.9
259.07507	4.3
260.08295	3.2
261.09085	1.5
262.09708	1.1
263.10660	16.2
264.10962	0.8
265.08704	2.6
265.84705	0.8
271.09616	1.1
275.07126	1.2
276.07788	8.9
277.08551	5.1
279.10168	0.9
280.10989	1.1
283.13187	1.1
285.11243	1.2
291.10168	51.4
292.10760	5.4
293.08063	7.8
298.99118	3.6
307.09665	1.0
308.10544	4.6
316.99448	1.9
317.17850	5.0
323.12784	99.9
324.13165	5.8
335.18985	2.0
336.18188	2.3
341.13953	2.3
353.13879	2.2
397.14011	1.0
445.16501	7.0
453.16898	5.7
471.18265	9.6
475.17361	2.3
489.19467	1.2
494.19531	1.2
512.31445	1.0
633.23730	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	632.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.7
55.05495	2.8
65.03929	2.5
67.05507	3.7
69.03432	6.3
69.07076	3.4
69.24029	6.1
71.04995	3.9
75.04472	3.4
79.05503	7.6
81.03408	3.1
81.07051	5.8
83.04976	2.3
85.02902	7.4
91.05480	12.1
93.03419	8.9
93.07066	9.6
95.04961	7.4
95.08633	3.5
97.02892	2.5
97.06541	9.4
99.04422	2.0
103.05480	16.1
105.04504	1.4
105.07046	14.9
106.04186	16.8
107.04962	5.5
107.08575	5.6
109.06531	3.5
109.10164	4.0
115.03931	2.8
115.05431	3.7
117.07029	4.5
118.04179	3.5
119.04971	2.7
119.08573	4.4
120.08105	1.6
121.06512	20.6
121.10124	2.8
122.03626	2.9
125.05992	6.1
125.09747	1.3
127.03895	3.8
129.06993	1.6
130.07780	2.0
131.04932	19.9
131.08582	4.2
131.46016	1.4
133.06509	6.8
133.10155	4.0
134.03676	3.0
135.04431	7.6
135.08037	2.9
137.05978	42.5
137.07010	2.1
139.07571	2.5
143.04953	1.6
145.04848	1.7
145.06523	3.6
145.10126	22.1
147.08037	1.5
148.05190	6.8
149.05986	29.6
151.03914	44.1
151.04994	3.1
151.07552	3.3
153.05486	3.4
153.09090	8.2
157.10188	2.6
158.07294	3.3
159.04474	1.8
159.08095	3.2
159.11720	8.2
161.05907	2.3
163.03894	3.7
163.07533	15.3
163.41141	1.4
165.05466	2.9
167.07088	10.6
169.10104	1.6
173.09647	12.6
175.07516	3.5
177.05467	24.2
177.09222	1.6
181.04959	13.9
181.08562	16.4
187.11179	7.6
189.09065	1.7
191.07028	52.2
195.06551	1.9
203.06956	2.1
205.08592	2.5
205.12268	15.9
207.10097	1.8
209.08095	100.0
210.08455	2.4
215.10654	18.5
217.08469	1.4
222.36235	1.3
228.48573	1.5
233.11761	11.1
235.09723	1.7
259.09869	1.9
263.09143	5.8
337.12805	3.4
355.11731	4.6
356.12415	3.1
387.14410	15.2
388.21170	2.2
417.15536	1.9
546.23187	1.6
588.34808	2.7
631.32068	1.4
632.23065	3.8
632.33282	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	632.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05034	1.5
69.03430	1.3
69.07082	1.3
70.02953	1.7
70.06591	1.8
71.05031	0.6
73.09501	0.5
79.05492	2.2
81.07065	1.0
81.64140	0.6
82.06568	1.0
84.08147	0.7
85.02890	1.1
86.06085	0.6
86.09711	9.3
91.05481	5.1
93.07044	2.7
94.02900	0.7
94.06576	2.2
95.04981	1.4
96.04491	2.0
96.08147	0.6
97.04027	0.6
97.69657	0.5
98.06049	4.3
103.05470	9.1
105.04530	0.6
105.07032	2.0
106.06558	0.8
106.23615	0.5
107.04977	0.6
109.02783	0.5
109.07673	0.7
109.10165	0.8
110.06049	2.0
111.09228	0.8
113.03482	1.8
113.07125	1.9
114.05518	1.2
115.05465	0.8
117.05759	1.4
119.04936	2.1
119.07335	1.6
120.08107	100.0
121.08463	1.6
122.06033	1.2
124.07571	0.6
125.03487	17.9
126.03840	0.6
128.72878	0.5
130.06531	2.1
132.08116	3.5
134.06018	17.9
135.06807	9.4
136.07578	14.2
137.07071	4.6
138.05513	1.4
138.09145	1.4
139.04034	0.6
139.05049	1.9
139.08659	1.9
142.04982	9.4
144.07982	0.5
145.05252	1.2
145.06425	0.8
145.10028	0.9
146.06024	9.3
147.06749	0.8
147.11676	0.6
148.07567	0.8
149.07156	1.1
150.05492	1.2
151.03955	1.1
158.06030	1.1
160.07593	7.8
162.08394	0.5
163.08624	0.7
164.07066	1.5
165.06604	5.3
166.04996	1.3
166.08765	1.0
166.12286	1.5
167.08287	0.6
177.06586	0.6
181.06169	0.8
181.09734	8.1
183.07678	2.0
186.05505	2.9
188.14305	0.9
188.19000	0.5
191.04477	0.6
191.08273	0.7
193.06152	1.7
202.05022	0.6
202.12285	2.2
203.08197	3.7
204.13849	1.1
205.05905	0.8
205.13460	0.9
208.07237	0.9
209.05495	0.8
211.07144	1.5
214.02997	0.5
214.04950	2.6
221.12875	2.7
231.07629	1.5
233.12947	2.8
236.10709	4.0
237.05058	15.7
238.12175	3.9
239.11809	0.8
246.24277	2.1
249.05083	0.7
254.07803	1.2
255.06169	3.7
255.11334	3.1
257.12860	5.0
261.12436	3.8
263.13791	1.2
271.10803	0.5
271.14438	0.9
276.13458	3.4
277.11719	0.9
278.15048	1.3
279.13376	0.7
283.08109	0.7
283.10767	3.8
305.11377	1.4
307.12778	0.8
322.13980	42.9
323.14154	1.2
324.15701	1.9
350.13477	12.6
350.17697	0.9
372.11725	1.8
389.21133	0.6
412.18668	1.1
413.21594	1.8
440.31998	0.6
457.20828	49.6
458.21063	2.0
467.19205	0.6
474.15845	0.7
485.20340	20.3
486.20505	0.7
523.61664	0.6
552.37640	0.6
559.25519	5.4
587.24451	2.9
604.27692	17.0
605.27515	1.6
632.27295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51584	1.6
53.34344	1.4
55.01870	5.3
55.05513	8.7
58.99594	6.7
60.55020	1.4
65.03938	1.8
67.05505	15.7
69.03425	4.7
69.07081	7.5
69.59597	5.5
70.06596	1.8
76.02233	20.8
76.03984	2.4
79.05500	6.2
80.05029	1.5
81.03413	3.3
81.07057	9.5
83.04974	4.5
83.06127	2.3
83.08622	2.7
84.04504	7.2
84.08151	10.7
84.41946	1.4
85.01117	1.9
85.02903	9.7
85.11559	1.4
85.64304	1.3
86.09732	1.8
86.99061	2.9
91.05490	20.5
93.07033	11.4
94.06544	2.0
95.04978	4.0
95.08608	11.3
97.01124	2.4
97.02906	4.5
97.10186	4.9
99.05633	1.4
105.07045	7.4
107.04994	2.0
107.08585	7.9
109.06529	6.3
109.10164	10.8
111.04489	1.7
112.02214	6.0
114.03801	2.6
116.01678	8.7
117.07042	4.9
119.08598	3.6
120.08128	1.6
121.06531	5.6
121.10162	1.7
122.09698	2.4
123.08076	4.1
125.09660	6.4
127.03909	3.8
129.06783	1.6
130.05034	3.8
131.08575	3.0
132.08159	2.0
133.06482	2.8
133.10191	1.7
134.09642	1.7
135.08061	5.3
136.08856	1.8
137.04219	4.3
137.05937	2.3
137.09616	3.3
138.03699	2.9
139.05823	2.0
140.01680	1.9
140.05312	3.6
142.03217	3.5
143.08583	1.7
144.01178	4.9
145.04985	3.6
145.06201	2.9
145.10104	2.4
147.08083	2.1
149.09599	1.7
151.03882	3.0
151.07574	4.0
154.06868	2.8
155.08565	1.8
159.08113	1.8
161.06004	1.8
161.09668	2.1
162.02217	10.4
163.03900	2.4
163.06020	2.6
163.07549	2.1
163.11259	1.7
166.06894	8.6
169.04323	4.3
170.02760	1.8
173.09570	2.3
173.11797	4.0
177.03320	3.5
179.04889	14.4
180.08357	8.6
185.03764	3.3
187.05492	3.0
189.11218	3.9
195.11729	4.0
209.13289	2.6
210.09415	3.2
213.12769	6.7
215.04907	8.9
220.13411	7.5
227.14313	21.9
231.04364	5.3
233.05991	6.6
237.12740	4.9
255.13829	19.4
266.12106	2.2
268.13632	1.8
269.09549	3.3
271.11243	2.2
273.14868	16.3
283.11075	8.2
289.18076	9.5
307.19122	6.2
308.09113	11.6
313.12231	1.8
321.15424	8.1
346.18442	4.5
347.16769	5.7
354.09476	5.9
364.19418	8.0
365.17831	14.4
374.18063	2.1
382.20560	5.5
398.15204	1.9
467.22064	18.5
485.23212	91.2
486.23599	5.0
557.25244	7.3
596.25067	2.7
614.27954	4.5
632.19891	100.0
632.29974	14.3
633.20300	7.7
633.29669	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	632.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51584	1.6
53.34344	1.4
55.01870	5.3
55.05513	8.7
58.99594	6.7
60.55020	1.4
65.03938	1.8
67.05505	15.7
69.03425	4.7
69.07081	7.5
69.59597	5.5
70.06596	1.8
76.02233	20.8
76.03984	2.4
79.05500	6.2
80.05029	1.5
81.03413	3.3
81.07057	9.5
83.04974	4.5
83.06127	2.3
83.08622	2.7
84.04504	7.2
84.08151	10.7
84.41946	1.4
85.01117	1.9
85.02903	9.7
85.11559	1.4
85.64304	1.3
86.09732	1.8
86.99061	2.9
91.05490	20.5
93.07033	11.4
94.06544	2.0
95.04978	4.0
95.08608	11.3
97.01124	2.4
97.02906	4.5
97.10186	4.9
99.05633	1.4
105.07045	7.4
107.04994	2.0
107.08585	7.9
109.06529	6.3
109.10164	10.8
111.04489	1.7
112.02214	6.0
114.03801	2.6
116.01678	8.7
117.07042	4.9
119.08598	3.6
120.08128	1.6
121.06531	5.6
121.10162	1.7
122.09698	2.4
123.08076	4.1
125.09660	6.4
127.03909	3.8
129.06783	1.6
130.05034	3.8
131.08575	3.0
132.08159	2.0
133.06482	2.8
133.10191	1.7
134.09642	1.7
135.08061	5.3
136.08856	1.8
137.04219	4.3
137.05937	2.3
137.09616	3.3
138.03699	2.9
139.05823	2.0
140.01680	1.9
140.05312	3.6
142.03217	3.5
143.08583	1.7
144.01178	4.9
145.04985	3.6
145.06201	2.9
145.10104	2.4
147.08083	2.1
149.09599	1.7
151.03882	3.0
151.07574	4.0
154.06868	2.8
155.08565	1.8
159.08113	1.8
161.06004	1.8
161.09668	2.1
162.02217	10.4
163.03900	2.4
163.06020	2.6
163.07549	2.1
163.11259	1.7
166.06894	8.6
169.04323	4.3
170.02760	1.8
173.09570	2.3
173.11797	4.0
177.03320	3.5
179.04889	14.4
180.08357	8.6
185.03764	3.3
187.05492	3.0
189.11218	3.9
195.11729	4.0
209.13289	2.6
210.09415	3.2
213.12769	6.7
215.04907	8.9
220.13411	7.5
227.14313	21.9
231.04364	5.3
233.05991	6.6
237.12740	4.9
255.13829	19.4
266.12106	2.2
268.13632	1.8
269.09549	3.3
271.11243	2.2
273.14868	16.3
283.11075	8.2
289.18076	9.5
307.19122	6.2
308.09113	11.6
313.12231	1.8
321.15424	8.1
346.18442	4.5
347.16769	5.7
354.09476	5.9
364.19418	8.0
365.17831	14.4
374.18063	2.1
382.20560	5.5
398.15204	1.9
467.22064	18.5
485.23212	91.2
486.23599	5.0
557.25244	7.3
596.25067	2.7
614.27954	4.5
632.19891	100.0
632.29974	14.3
633.20300	7.7
633.29669	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	632.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59900	1.0
55.95798	1.0
62.39516	0.8
69.16195	6.1
79.05512	1.4
83.78720	0.8
86.43722	1.0
91.05486	8.7
93.07047	1.1
95.04967	1.9
95.08598	1.4
95.18459	1.3
105.04529	1.1
105.07026	3.3
108.05741	1.8
121.06506	23.3
121.07320	1.6
123.08081	10.1
130.05206	0.8
135.04404	1.3
135.08058	3.5
137.05998	1.9
138.06744	1.4
139.07562	8.6
141.07120	1.0
141.93198	1.0
149.07135	1.7
150.06769	10.0
151.07552	100.0
152.07883	1.9
153.05492	1.8
154.94196	3.6
158.07280	1.8
161.06067	1.2
163.07503	1.2
165.09125	11.4
167.07008	1.4
172.95239	4.6
179.08563	1.0
182.07286	1.1
183.08026	2.4
186.06732	1.6
195.08089	1.2
197.09639	4.7
200.08371	1.3
209.09645	2.8
210.06760	0.9
211.07559	2.8
211.11186	1.0
212.08133	1.0
215.10730	3.8
223.07452	1.1
223.11057	1.4
224.08376	1.9
225.09087	7.1
226.09875	4.1
227.07138	1.6
227.10680	3.0
228.07846	6.0
228.97939	1.1
237.09058	2.1
238.09904	1.1
239.07083	1.3
239.10701	5.3
241.08527	1.7
241.12274	5.1
242.09216	2.4
242.12979	5.4
243.10161	35.9
244.10420	1.2
252.07880	1.2
253.08614	33.5
254.09326	4.6
255.06396	0.9
255.10135	8.9
256.10880	1.6
257.11755	3.3
267.10159	26.2
268.10779	1.9
269.11725	18.7
270.08911	8.4
270.12506	23.3
271.09665	2.2
271.13232	9.3
283.13263	1.2
285.11221	42.7
286.11826	4.8
287.12744	3.0
298.99084	2.8
299.12811	3.9
301.14377	43.1
302.15128	33.9
303.15591	2.2
317.13776	3.1
317.17941	3.9
327.12399	1.0
335.18915	1.8
336.17743	2.0
417.17215	1.3
453.17041	2.3
471.18323	5.6
555.23541	7.6
587.26465	12.6
588.26801	1.4
632.41107	1.5
633.23328	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	632.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85300	0.5
53.03938	1.6
55.01874	1.6
55.05513	8.6
57.03183	0.8
57.03444	10.1
57.07080	0.7
58.89270	0.4
61.02911	1.1
65.03943	0.9
65.62980	0.4
67.05506	31.4
69.03437	0.7
69.07069	8.5
69.75858	1.7
71.01368	2.4
71.04987	2.4
72.06974	0.5
73.02911	1.0
76.71346	0.5
77.03960	0.6
79.05499	25.9
81.03426	7.0
81.07060	15.2
81.07410	0.4
83.04984	6.7
83.08617	3.1
85.02922	2.7
85.06565	2.4
85.07014	0.4
91.05483	11.1
91.06048	0.6
93.07049	32.6
95.04968	5.5
95.08621	5.4
97.02900	1.0
97.06538	9.2
97.10175	6.8
99.08088	1.3
100.76193	0.4
105.04520	1.2
105.07037	3.9
107.04960	1.2
107.08597	22.9
109.06523	0.8
109.10153	6.3
111.08104	1.7
117.07059	2.9
119.08581	6.0
121.06507	1.2
121.10162	4.8
123.11674	0.5
125.09651	1.7
131.08563	0.8
133.10130	3.1
135.08104	1.0
135.11699	37.9
136.12016	0.9
137.09662	1.5
143.08629	0.6
145.10117	7.2
147.11711	1.8
149.13292	0.6
153.12761	0.8
157.10190	0.7
159.11696	0.6
163.11211	6.3
171.11736	0.8
175.11198	0.8
181.12236	6.9
193.12256	1.6
199.13315	1.9
199.68326	0.5
204.13898	1.0
207.13757	0.7
211.13240	2.4
229.14468	1.9
255.15915	56.2
256.16309	1.3
267.15997	1.1
269.17480	1.5
277.21762	1.0
281.17499	2.2
285.17004	1.6
310.10675	0.7
351.25073	0.6
435.27429	100.0
436.27863	5.3
439.26862	1.8
461.28720	1.1
471.40961	0.6
479.30194	3.2
528.26575	0.5
535.08936	0.5
561.37286	0.7
632.33429	0.8
633.36023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.34
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96960	4.0
81.30225	2.5
88.98267	2.5
118.05783	2.7
124.93704	2.2
145.03030	2.8
148.51305	2.6
340.56418	2.8
412.59888	2.7
473.39050	2.9
493.23740	3.2
531.86487	2.7
633.33893	100.0
634.34717	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	633.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79665	0.3
55.05517	1.0
57.03440	0.5
60.77116	0.3
67.05513	1.6
69.07076	0.7
69.68649	0.8
71.05003	0.3
75.72458	0.3
79.05501	1.8
81.03431	1.4
81.07067	2.0
83.04979	0.7
85.02895	1.5
91.05479	2.0
91.30771	0.3
93.07056	1.2
95.04984	1.3
95.08591	1.6
97.06559	1.3
105.07055	1.3
107.08598	0.6
109.06525	0.6
109.10184	0.7
110.17066	0.3
117.07072	0.3
119.08565	1.4
121.10155	1.1
122.08797	0.3
123.08100	0.6
123.11742	0.4
129.06992	0.4
130.70445	0.4
131.08618	0.7
133.10123	0.9
135.08067	0.4
137.05797	0.9
145.10120	0.4
147.11722	1.0
149.09676	0.5
151.07466	0.4
157.10190	0.7
167.10783	0.4
171.11687	0.3
175.11238	0.5
193.12297	0.5
221.11482	0.4
221.15471	0.4
230.24846	1.0
243.60188	0.3
251.12505	0.6
285.17065	0.4
320.35214	0.3
334.73221	0.3
349.19867	12.3
405.22421	4.9
477.87793	0.4
633.36066	100.0
634.36407	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	633.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
57.01961	0.3
57.03436	0.7
63.89503	0.3
67.05495	1.8
69.03435	0.3
69.07070	1.1
69.08407	0.8
69.08830	1.4
69.62808	0.3
79.05508	1.6
81.03414	1.3
81.07066	1.9
83.04984	0.7
83.08612	0.7
85.02908	1.2
85.06564	0.3
85.92099	0.3
91.05473	2.1
93.07068	1.7
95.04968	1.4
95.08615	1.2
97.02930	0.3
97.06520	1.4
98.23450	0.4
105.07043	2.0
107.04955	0.5
107.08585	0.8
109.06531	0.6
109.10162	0.7
117.07045	0.4
119.08575	1.1
121.06480	0.3
121.10146	0.9
123.08073	0.4
129.07056	0.4
131.08540	0.5
133.10178	1.1
135.08101	0.3
137.05850	1.1
147.11699	0.6
157.10168	0.8
159.11806	0.4
167.10739	0.6
175.11092	0.3
181.78763	0.3
197.96286	0.3
219.11292	0.3
251.12703	0.5
307.15237	0.5
349.19861	10.7
389.33438	0.3
405.22485	5.0
540.73230	0.3
633.36060	100.0
634.36475	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	633.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96779	0.7
55.05507	1.4
56.00610	0.8
59.65991	0.8
67.05508	3.3
69.07069	1.9
69.74936	1.3
69.75304	1.4
71.08628	1.7
77.01777	0.8
79.05505	3.3
81.03408	1.3
81.07055	4.6
83.04986	1.2
83.08640	0.9
85.02920	0.8
91.05462	3.9
93.07041	3.9
95.04967	1.9
95.08615	2.3
103.49396	0.8
105.07048	2.8
107.08611	3.0
109.06506	1.2
109.10164	2.1
111.08075	1.0
119.08604	2.5
119.61945	0.8
121.10166	2.3
123.08056	1.1
125.05965	0.8
125.09534	1.0
129.07022	0.8
131.08585	1.7
133.10144	2.2
137.09686	0.9
145.10109	1.8
147.11703	1.0
149.09674	2.3
152.12686	0.9
157.10107	1.4
163.11220	1.0
167.10757	0.8
179.14381	1.7
181.12294	0.9
183.11597	0.9
198.45480	0.7
283.15137	5.1
317.20908	7.5
339.17743	3.5
373.23444	3.6
572.86584	0.9
633.39697	100.0
634.40131	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	633.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11600	0.6
52.88189	0.6
54.27237	0.6
55.05509	2.8
57.07073	0.8
59.04996	1.1
67.05503	4.6
69.03414	2.4
69.07064	2.0
69.81774	0.8
71.04998	4.2
71.22318	0.6
73.47218	0.7
79.05502	4.4
81.03391	0.8
81.07056	5.6
83.04951	0.8
83.08632	1.2
85.06526	1.6
91.05485	4.9
93.07037	6.6
95.04995	2.0
95.08604	5.0
97.06544	1.6
99.04443	0.7
99.08090	2.0
105.07054	3.7
107.08604	5.0
109.06520	1.7
109.10168	6.0
111.08091	4.9
117.07036	1.4
119.08583	4.6
121.10147	4.2
123.08079	1.2
125.09642	4.2
127.07591	1.1
127.11201	6.7
127.83388	0.6
129.07080	0.8
131.08575	2.5
133.10127	4.7
135.11699	1.5
137.09644	1.8
139.05276	0.9
139.11235	0.8
143.08614	2.0
143.10744	1.9
145.10089	3.2
147.08057	0.9
147.11708	2.2
148.28362	0.7
149.09645	1.7
151.07587	1.0
155.10666	21.1
156.09392	1.1
156.11047	0.8
157.10149	2.4
158.63953	0.8
159.11674	2.1
161.13330	0.8
169.10165	1.2
171.11687	1.4
173.13364	0.8
181.12202	1.1
182.10938	1.2
183.11768	0.8
183.13779	0.8
185.13345	0.8
191.14359	1.0
195.11623	1.4
197.13303	3.1
199.14827	0.9
209.13275	1.1
209.15300	1.5
211.14873	1.7
211.16855	0.7
221.15417	1.5
231.40457	0.6
233.11436	1.0
249.16609	0.7
265.19635	1.1
283.15213	10.7
283.20569	2.1
297.22314	1.0
324.79733	0.7
339.17694	4.6
343.22733	1.8
349.25333	0.9
355.65497	0.7
373.23572	1.5
399.43591	0.8
435.32574	2.4
453.33566	2.5
495.34619	1.0
513.35663	2.8
539.46002	0.8
552.52563	0.7
633.40308	100.0
634.41034	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	633.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.07076	3.0
62.06089	0.3
64.86717	0.2
67.05499	0.7
69.03441	0.5
69.07072	0.7
70.06594	6.5
71.04977	0.3
71.08622	0.9
71.97198	0.3
79.05472	0.6
81.03428	0.5
81.07059	1.0
85.02888	0.6
85.10172	0.8
87.04483	0.3
88.07632	9.5
91.05457	0.4
93.07049	0.9
95.04943	0.3
95.08610	0.7
97.02867	0.4
97.06525	0.5
99.74722	0.2
102.09198	2.6
105.07011	0.7
106.08673	5.4
107.08601	0.8
109.02940	0.3
109.10150	1.0
119.08589	0.4
120.08134	0.3
121.10149	0.9
123.11755	0.5
125.06007	0.2
127.03926	0.3
131.08598	0.2
133.06447	0.3
133.10205	0.3
135.04417	0.8
145.10120	0.7
147.11656	0.5
151.11063	0.3
153.01828	0.5
159.11642	0.2
161.09621	0.3
167.10590	0.3
169.11949	0.2
173.09607	0.4
187.11253	0.3
202.21635	0.7
228.23239	4.2
229.23520	0.4
246.24287	100.0
247.24657	3.0
274.05936	0.3
280.39725	0.2
315.22406	0.3
329.88120	0.3
333.24197	1.0
339.25296	0.3
351.25323	0.6
362.56345	0.2
388.21246	0.5
492.58896	0.3
613.03485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.1
69.10373	3.5
79.05504	1.0
79.87030	0.6
91.05491	1.8
95.04993	0.8
100.90417	0.5
102.04696	0.7
103.05467	14.8
103.06111	1.2
105.07030	6.1
111.04449	1.3
115.05463	2.0
119.04938	2.7
119.79403	0.5
121.02867	100.0
121.03895	3.1
122.03209	1.0
128.06215	0.6
131.04924	29.3
133.06506	4.7
137.05972	4.7
143.06079	1.1
145.06380	0.6
146.07269	3.4
147.04424	4.1
149.05983	1.1
151.07570	0.7
161.05983	15.6
162.06816	1.2
163.07553	11.0
177.05490	1.6
179.07028	3.3
199.07530	5.2
202.07729	0.7
203.08514	1.8
209.08083	1.3
217.08658	0.7
220.08783	0.6
230.24832	0.8
231.08086	2.8
248.08374	0.8
259.07590	2.1
260.08322	0.9
263.10785	1.1
276.07666	0.7
291.10159	9.8
292.10770	0.7
299.09140	2.0
307.13382	1.4
317.09833	0.6
323.12799	5.7
336.39972	0.5
337.10727	1.5
360.90631	0.7
429.07608	1.0
429.13330	18.5
430.13647	0.7
455.22241	0.9
461.16025	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	2.6
55.05450	5.8
56.04977	1.0
57.03394	0.7
57.07027	0.4
57.98759	0.5
58.39640	0.4
58.99521	6.8
59.04963	0.6
65.03889	0.4
67.05437	12.7
67.05820	0.9
69.03387	0.8
69.07057	2.7
69.34796	1.4
69.35166	0.7
71.04955	0.8
71.08557	6.5
74.00668	2.3
75.72668	0.4
76.02228	22.5
76.02632	1.2
76.03973	1.7
79.05494	4.2
80.04935	1.4
80.05357	0.4
81.03346	1.4
81.07055	5.0
82.06512	1.1
83.04913	1.2
83.06098	2.8
83.08619	3.3
84.04504	10.3
84.08073	1.2
85.01064	0.9
85.02837	0.4
85.03993	0.7
85.06504	0.5
86.00574	1.2
86.99048	2.4
87.02625	0.8
88.02136	1.1
91.05483	3.2
93.07047	4.9
94.06480	1.3
95.04966	2.2
95.08604	6.9
96.04420	0.5
97.01112	2.9
97.06459	1.0
97.10164	5.1
98.00591	1.0
98.22681	0.7
99.02582	1.4
99.05525	0.7
99.08093	4.6
100.02133	1.2
101.00554	0.6
101.04173	0.4
102.03727	0.8
105.07030	2.0
106.06516	0.5
107.04938	2.2
107.06035	0.5
107.08594	4.4
108.07967	0.4
109.06433	1.1
109.07584	0.7
109.10159	10.2
111.02576	1.4
111.04378	1.1
111.07971	1.2
112.02184	3.9
112.03939	0.7
113.00594	3.6
113.02867	0.7
113.05951	0.5
114.03761	1.8
115.05702	0.4
116.01672	11.7
117.06955	0.8
119.08566	2.4
120.08069	0.6
121.06408	0.4
121.10049	1.3
123.02562	1.5
123.04323	0.6
123.07969	1.5
124.02083	1.1
124.11140	0.9
125.00521	0.6
125.04142	0.8
125.09621	4.2
126.03732	8.1
127.02032	1.0
127.11127	0.6
128.05272	0.7
129.06541	2.6
130.04991	5.6
131.04500	0.6
131.08469	1.3
133.06425	0.5
133.10028	1.3
134.09616	0.7
135.02512	0.8
135.05527	0.5
135.08041	1.9
135.10370	0.5
135.11575	0.6
136.02083	0.7
136.03865	0.6
136.11153	0.9
137.04112	1.3
137.09634	2.2
138.03639	1.2
138.12698	0.9
139.02017	1.9
139.03128	1.0
139.04767	0.4
139.05740	3.5
139.11147	0.5
140.01535	1.0
140.05211	0.8
141.04716	1.2
141.06996	0.8
142.03218	3.4
142.07706	0.7
142.12212	0.4
143.02635	0.6
143.08540	0.5
144.00075	0.3
144.01128	4.8
145.06050	2.4
145.10065	0.9
147.02657	0.4
147.07808	0.7
147.11613	0.5
148.34315	0.4
149.04161	0.5
149.09526	1.5
150.12773	1.7
151.05711	0.5
151.07474	0.6
151.11078	1.3
153.06462	1.2
153.09044	0.9
154.03056	0.4
154.12135	0.4
155.05161	0.8
155.08107	0.9
155.10597	1.5
156.08318	1.3
157.10063	1.3
158.09943	2.3
159.08061	0.4
160.00732	0.4
162.00919	0.7
162.02200	12.5
162.03525	0.6
163.02087	0.4
163.11101	1.2
165.03612	0.7
165.07245	0.6
165.09018	0.8
166.12254	0.5
167.05153	0.5
168.08417	6.5
169.06734	1.0
169.09035	1.3
170.02635	1.5
170.08769	0.4
170.09999	5.0
171.10185	0.4
173.11745	4.3
175.11078	0.9
177.03334	2.8
177.12700	0.5
178.12206	0.5
179.03322	0.6
179.04863	12.2
179.08875	0.7
179.10512	0.7
181.06052	0.7
182.08580	0.5
182.10013	6.6
183.08281	0.6
184.11555	3.2
185.02309	0.5
185.03778	3.9
187.05353	2.4
187.10988	0.4
189.03186	0.8
189.11128	1.2
189.12711	6.3
193.06190	0.5
193.12172	0.6
194.09926	0.9
195.08340	0.5
196.07983	0.4
196.11453	1.0
197.09850	0.7
199.07065	0.8
205.10419	0.5
207.08255	0.4
209.11632	0.8
210.09431	1.0
212.11012	5.0
215.04756	1.1
220.13310	1.0
222.13023	0.5
227.04683	0.4
228.10425	0.6
229.06268	0.8
231.02161	0.5
231.04355	7.8
233.05920	6.3
233.09729	0.7
239.12003	1.2
240.10457	0.8
243.10486	1.0
245.05792	0.7
245.18976	0.9
248.10950	1.5
250.12502	2.5
251.10818	0.7
257.07578	0.6
263.19937	1.1
266.11923	2.1
267.10361	0.5
268.11105	0.4
268.13562	2.0
271.11011	1.4
272.11728	0.5
273.12625	1.6
273.18393	0.9
275.48093	0.4
276.16205	0.5
285.12662	16.9
287.14511	0.7
288.59909	0.5
290.21130	0.5
291.06552	0.6
291.19540	9.3
293.20789	0.8
295.17285	0.4
297.12567	2.5
303.17496	0.4
305.15732	2.5
305.20947	0.5
308.09119	7.5
309.20596	2.7
315.13672	1.6
320.20474	0.8
321.18875	1.0
323.12894	0.5
323.16705	7.8
325.23138	0.4
330.18872	1.0
331.17279	1.2
338.21683	0.5
341.17786	0.4
348.19879	8.9
349.18237	7.2
350.18549	0.9
366.20935	10.1
367.19321	14.3
368.19839	0.6
371.16394	0.5
376.19257	1.2
384.22046	4.4
394.20502	1.7
402.23380	0.5
412.21198	0.5
423.23154	0.8
441.24103	1.2
451.22580	2.7
469.23660	18.8
470.24115	1.5
478.22333	0.5
487.24719	100.0
488.25089	7.2
523.24609	1.1
535.24402	0.9
541.25476	0.5
559.26825	8.1
580.26257	0.6
598.27728	4.2
616.28961	2.5
617.27820	0.7
634.30121	12.2
635.31738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78330	0.5
53.03955	0.7
55.01865	4.8
55.05510	9.6
55.37098	0.6
56.05027	1.4
57.03450	0.9
57.07067	0.7
58.99585	10.6
61.01173	0.5
63.10818	0.5
66.07333	0.5
67.05513	8.0
69.03426	1.0
69.07056	2.7
69.17733	3.4
70.02948	0.8
70.06573	0.6
71.04987	1.1
71.08631	7.3
73.01126	0.9
74.00665	2.6
76.02227	32.1
76.04001	2.4
79.05491	5.8
80.05019	1.9
81.03427	2.2
81.07056	7.4
82.06580	1.7
83.05000	3.9
83.06100	4.0
83.08620	7.2
84.04503	12.2
84.08122	1.0
85.01140	1.0
85.02913	0.5
85.04047	1.2
85.06528	1.0
85.10170	0.7
86.00665	1.7
86.99040	4.0
87.02656	0.6
88.02217	1.4
91.05478	4.8
92.01682	0.6
93.07049	6.5
94.06571	1.6
94.95444	0.5
95.04973	3.1
95.08607	6.5
97.01128	3.2
97.02908	1.4
97.06538	1.6
97.10168	5.5
98.00645	1.0
99.02679	0.7
99.05583	1.4
99.08099	4.6
100.02190	1.1
102.05556	0.5
105.07043	2.9
106.06540	0.8
107.04972	3.1
107.08594	6.1
108.04514	0.6
108.08092	0.7
109.02847	0.6
109.06535	1.2
109.07629	1.2
109.10150	4.1
110.06017	0.6
111.02686	2.7
111.04462	1.5
111.08054	2.6
112.02191	4.7
112.03926	0.6
113.00587	3.0
113.02959	1.0
113.04211	0.6
114.03783	1.6
115.02227	0.7
116.01679	16.7
117.07018	2.2
119.04969	0.7
119.07832	0.5
119.08559	2.7
121.06538	1.1
121.10143	2.8
123.02660	2.1
123.04443	1.1
123.08063	2.3
124.02200	1.9
125.00629	0.7
125.09626	4.7
126.03749	5.7
127.02156	1.3
129.06540	3.5
130.04991	6.3
130.05728	0.5
131.04544	1.1
131.08568	1.6
133.10144	3.1
135.02620	1.5
135.05490	0.7
135.08083	1.0
135.11694	2.9
136.04033	0.6
136.11218	0.9
137.04237	1.2
137.09619	1.2
138.03748	1.7
139.02144	2.9
139.03256	1.4
139.07478	0.6
139.11177	0.6
140.01662	1.2
140.05292	0.9
141.04832	1.4
142.03236	5.8
143.02786	0.7
143.08571	0.9
144.01131	6.9
145.06071	2.4
145.10146	1.6
147.08012	0.6
147.11644	1.0
148.11203	0.6
149.04189	0.7
149.09610	1.4
150.12766	1.0
151.05803	1.1
151.07550	0.7
151.11179	1.7
152.05313	0.7
153.03683	0.7
153.06627	1.6
153.09161	0.9
153.12717	4.0
155.08221	0.7
157.10133	0.9
160.11227	0.7
161.09650	2.4
162.02194	14.9
162.03540	1.1
163.11237	3.1
163.13599	0.8
165.03618	0.6
165.07381	1.2
165.09132	1.2
165.12735	0.6
167.08777	0.8
167.10692	0.7
170.02725	2.8
170.10020	0.6
171.08400	1.5
171.10280	0.9
175.11215	1.3
177.03285	3.5
177.12741	0.8
178.12311	1.2
179.04855	15.2
179.06384	0.9
179.08957	1.4
179.10684	0.9
181.06104	1.5
181.12262	1.8
182.10022	0.9
184.35951	0.5
185.03793	4.4
185.09752	0.9
187.05296	3.7
188.03737	0.9
189.03296	1.1
189.09460	0.5
189.11253	1.8
191.10762	0.7
192.13730	0.7
193.06790	0.8
193.12192	3.7
194.10007	6.5
194.11649	0.9
195.08485	2.8
195.10173	0.6
196.11577	6.6
196.13240	0.9
197.09895	0.7
199.07161	0.7
204.13841	0.9
207.08395	0.9
208.11560	1.1
209.05438	0.5
211.07805	0.8
214.12444	0.9
215.04901	1.7
220.13362	1.1
222.09457	2.6
223.07800	0.7
224.11134	2.0
225.09427	1.6
227.12723	3.5
230.12160	0.7
231.04369	9.4
233.05917	7.4
236.11086	2.4
237.09387	0.6
238.12607	2.2
240.10544	4.2
241.11249	1.0
242.12135	2.2
245.06044	1.6
245.19046	0.8
248.11243	0.8
254.12079	6.3
256.13693	0.8
263.20035	1.1
266.12024	4.3
267.10474	0.6
268.13705	1.2
273.18561	1.0
277.16281	1.3
282.11594	0.5
284.13217	1.1
285.12756	1.3
289.86496	0.5
290.21252	0.7
291.06451	1.4
291.19574	8.1
293.21091	0.8
297.94818	0.6
299.14130	3.0
305.15741	2.0
308.09100	7.6
309.20612	4.1
311.14200	5.6
320.20438	0.8
321.18860	1.3
323.13489	0.7
323.16818	8.9
325.18628	0.7
331.17249	0.8
338.21362	0.8
339.13879	0.7
341.17908	0.7
343.13354	0.9
345.14789	1.0
348.19919	10.5
349.18106	3.8
357.14789	10.7
366.20972	18.4
367.19254	10.3
368.18726	0.7
369.14868	2.6
376.19553	1.0
384.22021	6.5
385.21109	0.5
387.16037	1.4
394.20557	2.4
402.23108	1.6
405.21921	0.6
412.21249	0.7
423.23224	0.5
441.24234	1.3
451.22714	2.7
452.20941	0.7
460.21878	0.6
469.23663	23.8
470.23865	2.0
487.24731	100.0
488.25003	7.1
505.25241	1.2
523.24530	1.7
535.24921	1.1
537.29279	0.8
541.25909	0.8
559.26788	8.6
560.27289	0.7
581.25464	0.7
598.28326	4.1
616.28900	2.8
617.27606	0.9
634.29858	13.0
635.21112	0.8
635.32318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45980	1.2
55.05507	7.7
61.35547	1.2
67.05495	2.5
69.07057	2.0
69.48904	2.7
70.02964	10.2
79.05480	2.3
80.05027	1.3
81.07048	1.4
83.04984	1.4
83.08637	5.7
85.10215	1.9
86.09710	56.1
91.05477	4.4
93.07049	3.3
95.05022	1.2
95.08597	2.4
96.04494	4.4
96.08138	1.9
96.97687	1.1
98.09686	2.0
98.23402	1.6
100.11258	47.1
103.05448	7.1
105.07038	5.4
107.08636	2.4
108.04428	2.4
109.10124	1.7
110.09691	3.8
112.11273	2.9
120.08107	100.0
121.08477	1.5
121.10169	1.6
122.14547	1.2
123.08099	1.3
124.11242	3.7
125.03495	4.3
126.12796	1.8
130.06529	4.6
131.04933	3.9
131.05879	1.3
132.04466	7.1
132.05357	1.1
132.08101	3.9
133.05237	1.6
134.06001	2.8
136.03987	1.3
136.36002	1.7
146.06010	4.0
147.11705	1.5
151.05122	2.0
152.10710	13.4
155.11833	2.3
158.06006	19.1
160.07608	2.7
162.05476	1.2
167.11864	2.0
168.17477	21.9
169.13387	7.5
176.07018	1.9
177.16353	2.9
178.05046	7.2
179.05801	3.0
181.09796	2.7
186.05566	3.7
188.14313	2.5
195.11319	12.4
195.18568	5.5
201.06670	2.2
202.15897	12.7
204.06544	4.8
207.11328	3.4
208.12135	1.3
223.18175	6.8
229.06148	1.8
231.99313	1.2
233.16536	3.8
247.07132	1.3
251.17563	1.4
259.14389	3.6
261.16064	2.5
263.17480	8.4
280.20099	4.4
283.14584	1.7
289.15561	1.6
303.16956	9.4
308.19754	13.2
315.24200	7.3
322.86285	1.2
327.13394	1.3
329.15060	1.7
343.12579	1.9
343.23782	5.6
346.17587	4.6
374.17053	4.0
388.14917	1.5
425.63620	1.4
459.26065	62.8
460.26251	3.7
487.25574	31.9
488.25745	2.6
493.24188	3.3
507.22134	1.5
518.19360	10.5
535.21924	5.6
535.29523	1.4
571.28693	1.5
588.30853	1.5
589.29913	2.1
606.25543	1.4
606.32959	15.6
607.32867	1.3
634.31995	22.9
635.32135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01878	3.9
55.05519	10.0
56.75663	0.6
57.03184	1.0
57.03437	12.6
57.07051	1.6
59.05005	5.1
61.02934	5.5
63.84813	0.6
65.03928	1.9
67.05509	62.8
69.03406	2.7
69.07081	3.8
69.15265	4.2
69.93021	0.6
71.01341	0.9
71.04995	4.3
73.02905	1.4
73.09944	0.6
73.70704	0.6
79.05504	11.3
81.03049	0.5
81.03424	7.2
81.07063	16.4
83.01345	5.7
83.04982	6.8
83.08199	0.9
83.08627	11.8
83.61712	0.6
85.02916	7.6
85.06530	2.8
87.04465	0.6
91.03947	2.5
91.05492	10.2
93.07052	15.1
94.63951	0.6
95.04980	4.8
95.08606	7.1
97.02898	4.4
97.06503	2.7
97.10182	0.6
98.23529	1.1
99.04448	1.6
99.08056	1.1
99.45710	0.7
105.07040	6.2
107.04957	3.6
107.08609	9.2
107.97680	0.6
109.06541	3.7
109.10162	56.5
111.04427	1.3
111.08103	4.0
117.07008	4.5
119.08593	10.2
121.06509	2.8
121.10145	4.9
123.08079	5.1
125.09636	1.1
127.03901	1.0
129.07024	0.8
130.07742	1.3
131.08534	2.3
133.10124	2.0
135.08066	0.9
135.11696	7.9
137.09631	5.0
145.06459	0.7
145.10135	10.4
147.08041	1.3
147.11664	0.8
149.09625	0.9
153.12752	1.7
155.08606	1.1
155.10686	4.5
163.10020	0.6
163.11191	16.2
173.09674	1.3
173.11745	16.0
173.13223	1.0
181.12233	2.1
191.10658	1.7
209.11758	4.1
227.12807	2.7
229.14363	81.8
230.14589	1.0
231.28998	0.7
239.10512	0.6
283.15414	70.5
284.15790	2.0
351.25519	1.2
419.23856	1.0
426.10764	1.1
432.19559	1.1
437.25372	100.0
438.25601	3.1
450.21890	0.7
534.42059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40008	0.3
55.72792	0.3
59.48033	0.3
68.05022	0.5
69.07056	1.3
70.06593	100.0
71.06935	0.7
72.11478	0.3
76.67327	0.3
79.54404	0.3
80.55637	0.3
84.08121	0.3
86.09704	16.6
87.05614	0.4
91.05514	0.3
98.06055	28.3
116.07129	0.8
126.05514	21.6
133.06087	4.2
133.91190	0.3
151.12306	0.7
167.11777	3.9
167.15445	0.4
177.05513	0.5
183.14943	5.9
195.11293	7.6
211.14406	5.0
213.08705	5.2
213.12401	1.5
230.11354	26.2
231.11581	0.6
238.15550	0.7
249.94846	0.3
308.19662	2.6
310.14017	4.4
310.17322	0.5
327.16626	21.2
328.16998	0.9
377.25571	0.6
405.25076	1.4
407.19226	2.6
424.21902	42.6
425.22119	1.4
504.24411	1.4
521.27216	18.0
522.27264	0.8
545.62872	0.4
617.32819	0.8
634.35681	21.6
635.35840	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	635.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	4.5
70.34942	2.7
70.59684	3.1
71.46739	3.1
91.05468	5.8
91.50340	2.7
94.04204	5.0
95.04973	5.3
103.05456	3.4
105.03396	10.2
105.07025	9.5
107.04926	3.4
115.05502	3.5
117.87408	2.3
121.06499	4.5
122.03660	3.7
133.06483	6.9
135.04401	8.9
135.08028	6.0
137.05978	89.8
141.07018	3.2
146.03578	2.8
151.07489	6.3
155.18971	2.3
161.05981	58.7
165.09174	4.6
199.07521	19.9
202.07747	7.6
203.08539	14.4
203.28218	2.5
210.28432	2.3
219.07944	5.9
220.08817	4.3
231.08035	28.5
232.08778	5.7
248.08221	14.1
258.53366	2.9
259.07559	20.8
260.08276	20.6
263.10751	14.8
275.07043	2.5
276.07767	10.6
277.08524	5.7
283.13446	4.1
291.10150	100.0
292.10754	7.1
308.10358	5.8
323.12759	83.8
361.08359	42.3
362.08386	3.1
483.11960	31.3
537.29626	3.1
635.34106	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	635.168
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.8
69.10809	12.2
79.05489	2.4
81.07088	2.0
84.08133	2.3
91.05482	5.7
95.04965	3.3
103.05418	2.8
105.03384	7.0
105.07056	9.8
107.04962	2.3
109.06551	1.9
115.05450	4.9
121.06528	3.9
122.03655	8.1
131.04919	2.3
133.06491	6.5
135.04398	7.5
135.08098	2.1
137.05983	94.1
145.06483	2.0
150.06734	2.1
151.07512	4.1
159.08052	1.8
161.05983	59.0
165.09052	2.7
175.07448	2.4
184.05237	2.4
199.07549	20.7
200.07904	2.1
202.07776	5.8
203.08566	18.1
212.98979	4.0
219.08000	4.1
220.08815	5.1
230.07294	2.4
231.08052	28.0
232.08719	7.8
233.09534	2.0
247.07603	3.5
248.08293	16.7
259.07529	25.6
260.08286	17.5
261.08899	2.3
263.10727	14.7
275.07074	3.1
276.07816	9.5
277.08566	4.5
291.10165	100.0
292.10733	9.5
308.10196	4.1
315.16049	2.2
323.12796	95.2
324.13034	4.2
361.08350	47.2
362.08633	1.9
483.12042	32.0
483.18628	2.8
484.12228	3.7
498.96179	2.1
537.28912	3.6
635.16699	2.4
635.33344	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	635.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98542	0.3
69.09503	2.8
105.03393	0.5
176.04527	0.5
177.05220	0.7
204.03914	0.4
217.04712	1.0
219.06302	0.6
224.79272	0.4
230.04849	0.4
231.06329	1.6
243.49783	0.4
247.05869	1.6
248.06712	1.0
255.83101	0.4
279.96176	0.4
371.11053	1.1
395.11096	4.7
401.12186	5.3
410.13351	24.0
411.14041	3.7
428.14999	0.4
451.16034	1.2
605.20087	1.5
635.20966	100.0
636.21289	6.7
640.04279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01870	4.0
57.03440	5.6
59.04998	0.9
60.32031	0.4
61.02924	6.2
65.03945	1.0
66.04719	0.5
67.41212	0.4
68.09014	0.3
69.03428	22.1
69.74709	1.1
71.01353	1.1
71.04989	2.7
73.02916	7.5
79.05500	0.8
81.03416	13.9
81.07064	0.6
83.01348	0.7
85.02904	63.2
86.03230	0.4
87.04466	22.5
91.03955	3.9
91.05481	2.0
93.03411	1.0
94.04190	2.0
95.04984	0.5
97.02894	30.0
98.22794	0.7
99.04451	4.5
101.02364	0.7
103.03951	1.5
103.05481	2.1
105.07057	0.4
107.04979	1.0
109.02876	10.6
109.06517	1.3
111.04444	1.3
115.03929	73.4
115.05330	6.7
115.11205	0.4
116.04254	0.8
117.07015	2.0
117.77016	0.4
119.04918	0.7
122.03645	5.9
125.02353	1.6
125.05994	1.6
127.03915	28.2
128.06226	1.6
129.06999	6.8
131.04919	5.8
131.08533	0.6
133.04965	23.8
135.04373	0.5
137.05975	100.0
138.06319	2.0
143.04916	11.1
144.05710	2.0
145.04959	33.0
145.06396	2.0
146.03613	0.9
147.04474	0.6
147.07993	0.8
149.05974	1.0
151.03941	1.9
151.07520	2.7
153.05473	2.9
157.05086	0.9
157.06474	6.4
158.07315	0.5
159.08012	0.9
160.03839	0.8
160.05194	16.0
161.04449	4.9
161.05939	4.3
163.06003	3.3
163.07527	3.9
165.05481	0.8
172.05199	2.7
173.05959	1.4
174.06795	2.5
175.07536	99.0
176.07855	2.6
177.05478	1.3
177.09149	0.8
179.05492	4.0
179.07047	1.3
185.05952	1.1
187.07533	38.0
188.07925	1.2
189.09096	10.3
191.08598	0.5
197.05896	0.4
199.07547	2.3
201.09128	1.3
202.07625	0.6
203.08554	2.2
205.08589	20.5
206.09065	0.5
207.07985	0.5
211.07520	2.6
217.08577	5.4
218.21313	0.6
219.08014	2.1
219.10167	1.9
220.08717	1.1
227.06981	1.2
231.08008	2.7
235.09624	15.2
236.10080	0.5
239.07027	2.1
240.07898	0.9
241.06972	1.1
247.07584	1.7
248.08289	2.2
249.08965	0.5
251.10788	0.9
255.06482	1.3
256.07306	1.2
259.08081	8.0
260.08331	0.7
261.09134	0.5
263.06824	0.7
263.10602	3.0
265.08679	1.2
266.05615	0.4
268.07571	0.4
270.08789	2.1
271.09662	6.6
275.07574	2.1
276.07764	1.6
277.09119	5.9
279.10065	3.1
281.07996	0.4
283.09656	1.4
291.10147	9.6
293.08408	1.8
293.11496	0.6
296.10248	1.1
308.10239	1.1
309.11084	1.0
311.12845	3.7
313.14114	0.6
323.12793	9.2
325.14163	1.4
327.12338	0.5
341.13837	11.1
357.13217	1.1
381.78815	0.4
383.14603	0.8
407.14417	0.4
560.07819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93676	0.2
69.03432	0.5
69.39831	0.8
70.06594	0.4
71.04988	0.3
81.03417	0.3
82.06576	0.2
84.08150	1.8
85.02898	0.4
91.05496	0.4
93.07050	0.4
96.08138	0.2
97.02909	0.3
106.06617	0.2
107.07262	0.2
108.08118	1.6
108.45904	0.2
110.09683	0.3
115.03948	0.3
119.15552	0.2
120.08111	0.7
121.08915	0.3
122.09660	0.9
123.10433	1.4
127.03941	0.3
134.09671	1.4
135.10403	0.3
136.11214	40.6
137.11588	0.9
145.04985	0.2
148.11218	0.6
149.12038	0.7
162.12785	0.6
163.03911	0.2
163.13547	0.4
164.14354	17.4
165.14742	0.4
179.03381	0.3
181.08586	0.4
191.12943	0.2
217.08336	0.2
219.06522	0.2
220.13322	3.5
221.13580	0.2
239.24919	0.2
247.09682	1.8
249.11244	0.6
260.12814	0.5
262.14301	0.8
290.17426	1.0
303.14719	0.7
318.16992	100.0
319.17352	4.7
348.79565	0.2
399.57187	0.2
635.32733	0.3
636.26563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18068	0.7
55.05510	1.1
66.80858	0.7
67.05494	1.8
69.67027	2.9
79.05503	1.8
81.07058	1.2
91.05495	1.0
93.07034	2.4
95.04945	0.8
95.08590	1.9
98.00561	0.8
105.07063	1.8
107.08600	1.6
119.08559	1.6
121.10177	2.1
131.08646	0.8
145.10133	1.0
159.11722	1.0
172.95221	1.3
195.53116	0.8
199.14348	0.9
204.24631	0.8
224.15926	0.8
228.97987	0.8
321.25211	0.8
545.34583	5.9
635.35767	100.0
636.35992	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	635.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89769	0.3
55.01851	0.4
55.05514	1.2
57.03448	0.4
66.43002	0.4
67.05510	1.4
69.03429	0.5
69.07079	1.1
69.86242	1.2
70.33157	0.3
71.08671	0.6
79.05495	1.7
80.91004	0.3
81.03425	1.1
81.07069	1.6
82.00166	0.4
83.04990	0.6
83.08627	0.5
85.02918	1.0
91.05485	1.3
93.07056	2.3
95.04972	0.9
97.06516	0.3
97.10189	1.0
104.96223	0.3
105.07037	1.2
107.05003	0.8
107.08628	1.1
117.07037	0.6
119.08626	1.2
121.10171	1.2
125.09625	0.3
131.08595	0.7
131.70490	0.4
133.06581	0.4
133.10155	0.6
135.08012	0.4
145.10179	0.7
147.11760	0.9
157.10208	0.4
175.11227	0.5
193.12311	0.4
251.12633	0.9
269.13739	0.8
307.15292	0.5
333.20386	1.3
351.21426	4.5
389.22980	0.6
407.23993	3.3
407.28693	0.4
409.25766	0.4
635.37665	100.0
636.38074	8.0
648.42975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
57.03430	0.5
57.07064	0.3
59.04987	0.4
67.05505	3.8
69.07085	0.6
71.08640	0.4
79.05506	1.4
81.03407	0.5
81.07062	3.8
89.06020	0.9
91.05515	0.9
93.07040	1.7
95.04985	0.5
95.08610	2.8
95.37521	0.3
98.23420	1.0
101.80017	0.3
105.07047	0.9
107.08614	0.9
109.10152	0.6
111.08067	0.4
115.97839	0.3
119.08627	0.6
121.10190	1.0
122.68089	0.3
131.08621	0.8
133.08594	0.5
133.10182	0.7
140.76822	0.3
147.11687	0.5
149.09552	0.6
149.13307	0.4
163.11116	0.3
193.12212	0.4
202.15886	0.8
220.17055	0.6
233.11583	0.9
267.28369	0.3
283.15146	11.2
292.23630	0.4
301.14005	0.3
319.22458	0.8
335.25806	0.4
339.17789	4.4
375.25073	0.9
416.90689	0.3
515.31787	0.7
558.41949	0.4
610.15546	0.4
635.41272	100.0
636.41809	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	635.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06823	0.3
57.07079	2.6
68.45989	0.2
70.06242	0.4
70.06595	6.4
70.30603	0.6
71.08636	2.4
71.30344	0.3
72.82533	0.2
74.06107	0.3
76.02222	0.2
81.88320	0.2
84.04538	0.3
86.09692	0.4
88.07631	9.1
102.09186	2.5
106.08675	5.1
137.05954	0.3
174.18556	0.5
200.20108	4.1
218.21152	100.0
219.21506	3.6
389.50180	0.3
573.49609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.07075	2.2
58.06577	0.2
69.03412	0.7
69.07060	0.3
70.06236	0.3
70.06590	5.2
71.08627	1.9
71.21869	0.3
79.05476	0.9
81.03414	0.2
81.07035	0.2
84.08127	0.5
85.02902	2.0
88.07626	7.5
91.05466	0.5
93.07008	0.3
95.05005	0.5
97.02853	0.7
102.09181	2.8
105.04509	0.2
105.07070	0.2
106.08672	4.7
107.04943	2.5
109.02844	0.6
117.07008	0.3
121.06507	0.4
123.04427	0.5
127.03883	0.6
133.06479	0.7
135.04416	3.7
135.08043	0.5
137.05969	2.2
140.13512	0.2
145.04933	0.6
145.10112	0.8
147.07933	0.3
149.05971	9.7
149.09590	0.2
150.13022	0.2
153.05461	4.4
158.07224	0.3
161.09520	0.2
167.07048	0.3
173.09607	5.8
174.18504	0.6
176.08270	0.3
191.10657	49.3
200.20088	4.5
218.21143	100.0
219.21466	3.4
222.49347	0.2
236.20110	0.2
273.56665	0.2
285.11292	0.2
353.15912	0.4
537.29645	1.4
635.33496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58098	0.6
53.03939	2.8
53.97738	0.6
54.02144	0.6
55.01868	4.8
55.05506	1.3
57.03429	2.0
61.02922	1.8
63.45092	0.7
63.46402	0.6
65.03931	2.2
67.05507	1.0
68.99790	1.6
69.03429	12.1
69.08086	5.1
70.06599	3.3
71.04993	1.7
73.02906	2.0
79.05489	1.9
81.02961	1.4
81.03420	19.0
84.04507	0.9
85.02908	20.3
86.09702	1.3
87.00828	10.7
93.86718	0.6
97.02886	7.4
98.23430	1.7
99.04445	3.1
100.11250	2.7
103.05470	1.0
105.01862	4.7
105.03319	0.9
109.02879	13.9
109.10160	0.8
111.04429	1.4
115.05472	2.1
117.01875	1.4
117.06998	1.1
119.04952	1.9
121.02853	1.1
121.63371	0.7
123.04441	1.4
127.03911	16.3
128.06221	2.3
129.01865	1.1
129.06996	11.1
131.04903	2.3
135.04416	100.0
136.04698	1.6
143.04919	2.9
145.04927	4.4
145.06500	1.7
147.04428	3.8
149.02342	84.0
149.03366	3.8
150.02666	1.0
151.03896	3.9
155.04939	1.3
157.06497	13.3
159.02887	5.7
159.04433	1.9
161.05948	1.7
163.03889	2.2
165.05428	0.8
165.86307	0.7
171.04413	3.0
172.05014	0.8
173.05962	5.2
175.03938	1.5
175.07562	1.8
177.04143	0.7
177.05440	4.5
182.15378	1.2
183.04401	1.1
183.42815	0.8
185.05992	3.7
187.07545	12.3
189.05426	6.1
190.07643	0.8
191.08575	1.6
201.05453	23.7
203.06999	4.6
203.08575	0.8
213.05475	2.1
219.06429	2.7
219.08360	3.5
231.06607	16.4
235.07613	0.8
247.07515	4.7
249.07466	10.3
259.07581	3.9
262.06427	0.9
263.07083	1.2
265.08551	1.3
275.07010	3.0
277.08578	8.1
280.07361	1.4
281.04446	1.7
282.05151	4.2
287.07037	2.3
293.08151	3.0
305.08109	7.5
307.09677	3.6
317.08136	4.5
323.09122	11.4
335.05319	1.4
335.09116	17.9
337.10797	2.0
341.10175	3.3
353.10181	61.6
354.10489	2.2
355.07550	1.2
355.11691	8.7
371.11261	54.1
372.11725	1.4
410.20895	0.7
489.24689	1.6
619.15839	1.9
635.97131	1.1
636.20551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14150	0.2
53.03947	1.5
55.01871	2.0
57.03438	1.0
61.02928	1.1
61.03163	0.2
68.99776	0.8
69.03429	5.2
69.33649	1.1
70.06583	0.3
71.04981	0.8
73.02593	0.2
73.02917	2.1
79.05492	1.7
80.58109	0.2
81.02965	0.3
81.03419	6.4
81.07059	0.3
83.01338	0.2
84.08144	0.4
85.02905	14.7
87.00291	0.2
87.00830	4.9
89.05994	0.4
91.03935	0.8
91.05479	0.5
93.07028	0.4
95.04965	0.7
97.02888	6.0
97.93845	0.2
99.04453	3.7
101.02406	0.2
103.05478	0.3
105.01867	4.8
105.04497	0.4
105.07014	0.6
107.04948	3.6
107.08649	0.2
109.02882	7.0
109.06499	0.3
114.79558	0.2
114.80334	0.2
115.03896	0.3
117.01868	1.1
117.06995	0.3
121.06487	0.7
121.10139	0.3
121.83941	0.2
123.04417	0.4
127.03915	13.5
129.01823	1.3
131.04982	0.2
131.08519	0.2
133.06468	1.2
133.08577	0.2
135.04420	5.1
135.08034	0.9
136.85651	0.2
137.05975	3.9
141.01952	0.2
145.04964	7.1
145.06601	0.3
145.10155	1.3
147.02875	0.6
147.07948	0.3
149.05975	14.7
149.09619	0.6
150.06300	0.2
151.99162	0.2
153.05475	6.8
158.07281	0.6
159.02872	5.3
161.09660	0.2
163.07434	0.2
163.11116	0.5
167.07050	0.5
173.09627	9.0
176.08264	0.5
177.03915	0.4
177.05467	0.2
188.36916	0.2
189.05470	0.2
191.10664	100.0
192.11014	2.8
213.03862	0.6
215.10651	0.3
231.04987	3.4
243.06587	0.3
249.06018	0.5
299.12714	0.6
318.17661	0.2
396.13409	0.2
439.15997	3.6
440.16479	0.4
538.29694	0.4
636.33087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	1.0
57.03424	0.7
61.02913	0.9
69.03432	3.2
70.43504	0.4
71.04989	0.5
73.02903	0.8
77.03919	0.4
79.05491	1.7
81.03413	2.7
85.02901	9.6
87.00827	2.8
91.03965	0.4
91.05485	0.5
93.07081	0.3
95.04966	0.9
97.02891	4.3
99.04443	1.1
99.05476	0.2
103.05479	0.5
105.01859	3.6
105.04473	0.3
105.07018	0.7
107.04945	3.5
108.04480	0.3
108.05333	0.2
109.02880	3.6
109.06564	0.2
111.04421	0.2
115.03898	0.2
117.01852	0.5
117.07003	0.3
121.06507	0.8
123.04421	0.6
127.03912	6.7
129.01828	0.3
129.07025	0.2
131.08572	0.3
133.06493	1.3
135.04402	5.3
135.08060	0.9
137.05972	4.2
145.04955	3.7
145.06310	0.3
145.10118	1.6
147.02866	0.4
147.08005	0.5
149.05974	16.3
149.09599	0.9
150.06300	0.4
153.05464	7.2
158.07263	0.4
159.02876	1.9
161.06015	0.5
161.09538	0.3
163.11189	0.6
167.07059	0.4
173.09622	9.7
174.09937	0.2
176.08318	0.5
180.08604	0.3
191.10658	100.0
192.11012	3.0
213.03841	0.4
215.10591	0.4
231.04927	1.8
243.06451	0.5
249.06107	0.6
271.13162	0.3
299.12646	0.6
318.16956	0.4
334.23007	0.2
353.15942	0.3
439.10559	0.2
439.15915	0.8
474.21478	0.3
505.37939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14150	0.2
53.03947	1.5
55.01871	2.0
57.03438	1.0
61.02928	1.1
61.03163	0.2
68.99776	0.8
69.03429	5.2
69.33649	1.1
70.06583	0.3
71.04981	0.8
73.02593	0.2
73.02917	2.1
79.05492	1.7
80.58109	0.2
81.02965	0.3
81.03419	6.4
81.07059	0.3
83.01338	0.2
84.08144	0.4
85.02905	14.7
87.00291	0.2
87.00830	4.9
89.05994	0.4
91.03935	0.8
91.05479	0.5
93.07028	0.4
95.04965	0.7
97.02888	6.0
97.93845	0.2
99.04453	3.7
101.02406	0.2
103.05478	0.3
105.01867	4.8
105.04497	0.4
105.07014	0.6
107.04948	3.6
107.08649	0.2
109.02882	7.0
109.06499	0.3
114.79558	0.2
114.80334	0.2
115.03896	0.3
117.01868	1.1
117.06995	0.3
121.06487	0.7
121.10139	0.3
121.83941	0.2
123.04417	0.4
127.03915	13.5
129.01823	1.3
131.04982	0.2
131.08519	0.2
133.06468	1.2
133.08577	0.2
135.04420	5.1
135.08034	0.9
136.85651	0.2
137.05975	3.9
141.01952	0.2
145.04964	7.1
145.06601	0.3
145.10155	1.3
147.02875	0.6
147.07948	0.3
149.05975	14.7
149.09619	0.6
150.06300	0.2
151.99162	0.2
153.05475	6.8
158.07281	0.6
159.02872	5.3
161.09660	0.2
163.07434	0.2
163.11116	0.5
167.07050	0.5
173.09627	9.0
176.08264	0.5
177.03915	0.4
177.05467	0.2
188.36916	0.2
189.05470	0.2
191.10664	100.0
192.11014	2.8
213.03862	0.6
215.10651	0.3
231.04987	3.4
243.06587	0.3
249.06018	0.5
299.12714	0.6
318.17661	0.2
396.13409	0.2
439.15997	3.6
440.16479	0.4
538.29694	0.4
636.33087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01866	0.5
61.02923	0.3
67.05496	0.2
68.89759	0.2
69.03423	2.0
70.06584	0.6
71.04984	0.3
73.02896	0.2
75.96829	0.2
77.03927	0.4
79.05492	2.2
80.22208	0.2
81.03422	0.9
81.07060	0.4
84.08137	0.2
85.02912	3.2
87.00816	1.0
91.05479	0.5
93.07030	0.6
95.04982	1.1
97.02895	1.6
99.04458	0.6
103.05448	1.0
104.05783	0.4
105.01868	2.3
105.04511	0.6
105.07024	0.8
107.04958	4.7
107.08563	0.5
109.02862	1.5
112.24194	0.2
117.06989	0.5
119.08526	0.3
120.08038	0.2
121.06520	1.0
123.04397	0.9
127.03928	2.1
130.07787	0.3
131.04924	1.1
131.08569	0.3
132.05292	0.2
133.06470	1.4
135.04405	6.3
135.08078	0.7
136.11194	0.4
137.05978	4.2
145.04941	1.4
145.06473	0.3
145.10123	2.2
149.05980	19.3
149.09624	0.7
150.06342	0.4
153.05466	8.9
155.08516	0.4
158.07263	0.6
159.02899	0.4
161.05981	0.5
161.09595	0.3
163.07570	0.5
163.11156	0.5
167.07053	0.4
173.09615	10.5
174.09949	0.3
176.08305	0.6
191.10664	100.0
192.11024	2.7
231.05078	1.0
249.06033	0.7
318.17029	1.8
387.07495	0.2
474.54413	0.3
538.29810	0.4
584.32672	0.2
636.23254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39570	0.5
55.01873	2.3
57.03443	2.2
57.03711	0.4
61.02919	0.8
69.03430	8.4
69.07069	7.0
70.94633	0.7
73.02921	1.7
81.03435	1.1
85.02905	26.0
86.09706	100.0
87.10058	0.9
94.79778	0.5
97.02895	11.4
99.04456	1.8
101.02400	1.4
109.02877	2.3
110.39256	0.5
115.03938	1.3
127.03912	22.5
127.15074	0.4
132.10202	85.6
133.10541	1.0
145.04958	30.0
150.05907	0.6
163.06010	10.9
186.68343	0.5
223.05981	0.8
247.08229	0.5
253.07249	0.8
259.08044	1.2
271.08084	1.3
289.09198	3.0
294.15408	0.5
305.22412	0.4
325.11398	2.7
437.23257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05516	5.8
57.03428	0.8
57.07069	2.5
58.99600	3.9
67.05160	0.9
67.05508	14.0
69.03437	3.2
69.07079	3.3
69.73180	1.1
70.06567	0.9
71.04996	1.5
71.08640	6.0
74.00670	0.8
76.01811	1.2
76.02234	19.8
76.04002	0.9
76.51495	0.5
78.87033	0.7
79.05503	5.6
80.05031	0.7
81.03432	7.4
81.07059	5.3
82.06563	0.7
83.04998	5.0
83.06097	1.3
83.08621	3.0
84.04508	5.9
84.08152	0.9
84.30375	0.5
85.02892	1.2
85.04036	1.0
85.06541	1.2
91.05486	5.0
93.07047	5.0
95.04974	12.2
95.08626	6.2
97.02902	0.7
97.06525	1.5
97.10164	2.0
99.04422	0.7
99.08109	6.0
105.07019	3.3
107.04970	1.5
107.08595	3.1
109.06546	1.3
109.10172	10.3
111.08120	1.1
116.01678	6.0
117.07013	1.5
119.00542	0.6
119.08582	2.7
121.10175	2.9
123.04465	0.8
123.08090	1.2
125.09644	2.0
129.06610	0.8
130.05016	4.8
131.04565	0.9
131.08546	1.8
133.10149	2.2
135.08055	0.7
135.11681	1.1
136.11234	1.0
137.05994	0.8
137.09619	2.6
139.11179	13.2
141.09122	1.2
142.03224	2.5
144.01141	4.1
145.10109	2.1
147.11713	1.3
149.09641	1.7
149.13231	0.6
151.11186	53.5
152.11575	1.2
155.08496	0.6
155.10683	3.5
157.10123	0.7
159.11679	2.1
161.09624	1.6
162.02209	12.0
163.03874	0.9
163.11211	1.4
165.12730	1.2
170.02725	1.1
173.11739	13.7
177.03311	4.3
177.05525	0.8
177.12759	5.3
179.04868	26.9
181.12277	0.9
185.03809	1.3
187.05380	1.0
187.11070	0.8
189.11295	0.8
191.14326	1.2
198.12741	0.9
210.12721	0.7
215.04945	0.9
223.13409	1.4
224.14384	1.7
231.04449	1.7
233.05914	6.5
237.14873	0.8
245.05998	0.7
247.20609	1.2
257.19153	1.3
270.14966	1.7
275.20151	4.8
277.21500	0.6
290.08231	0.7
291.19638	0.9
293.21115	100.0
294.21381	3.2
308.09122	42.9
309.09467	1.5
311.22183	1.2
324.19470	0.9
369.20972	1.5
370.20120	2.1
386.23523	1.9
388.21249	2.9
389.21570	0.7
436.15598	0.6
475.16034	0.9
489.26358	4.6
506.64154	0.8
529.73749	0.7
538.29913	1.2
552.62036	0.7
561.28070	0.8
581.81879	0.7
592.25452	0.7
618.30170	1.8
636.24329	3.3
636.33527	3.5
636.50427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.6
53.03935	1.5
55.01873	2.0
55.05257	0.9
55.05510	10.9
55.88057	0.8
57.03433	10.9
57.07076	1.8
59.04994	2.9
61.02926	4.1
65.03912	1.0
67.05504	66.6
68.05844	0.9
69.03432	3.5
69.07061	8.5
71.04996	4.6
73.02872	1.1
77.03883	1.0
79.05496	14.2
79.27935	0.7
81.03418	29.1
81.03899	1.5
81.07052	26.8
82.07373	0.8
83.04976	7.5
83.08617	16.6
85.02906	17.5
85.06543	3.9
87.00822	1.1
91.03953	1.9
91.05476	17.4
92.05778	0.7
93.07040	15.3
95.04970	12.8
95.08600	11.6
97.02889	4.3
97.06534	3.4
97.10162	3.0
99.04469	2.8
99.08069	1.1
100.07628	0.9
102.10873	0.7
105.04509	0.8
105.07027	15.5
107.04955	3.4
107.08583	14.4
109.06529	6.3
109.10154	68.9
110.10499	2.0
111.04465	0.9
111.05219	0.7
111.08092	7.9
113.05980	1.8
115.05437	1.5
117.07018	1.6
117.67374	0.7
119.08573	14.1
119.86478	0.7
121.06538	1.6
121.10149	8.2
123.08060	2.9
123.11720	5.7
125.05983	0.9
125.09623	1.7
127.03934	1.6
127.07541	2.0
127.11176	2.5
129.07008	4.3
131.08553	5.9
133.06483	2.1
133.10115	13.0
135.08066	1.2
135.11684	2.8
135.38632	0.7
137.09602	4.4
137.13229	0.8
139.07521	0.7
142.07770	0.9
145.04964	1.1
145.10121	2.3
147.11685	13.6
149.09583	4.4
149.13255	0.9
151.11180	20.8
153.12767	2.0
155.10654	5.7
157.10132	8.1
159.02870	0.9
161.13219	1.1
163.11194	2.1
165.12761	6.2
167.10657	0.9
169.12297	3.7
173.11749	13.2
173.13150	0.7
175.11172	7.5
179.10674	5.3
181.12267	1.1
193.12251	25.2
197.11624	0.9
203.17871	1.0
211.13283	36.8
212.13597	1.1
215.12775	4.1
229.14340	60.0
230.14760	2.4
252.57234	0.8
267.15918	13.6
285.16959	27.2
286.17221	2.1
317.24695	6.7
335.25787	40.2
336.26089	1.8
353.26846	11.5
371.27893	6.4
403.24643	1.0
410.84833	0.8
421.25772	17.7
422.26129	1.5
439.26901	100.0
440.27124	6.5
488.64493	0.8
637.30225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03943	0.9
55.01865	1.2
55.05505	2.9
55.38191	0.3
57.03430	0.8
57.07069	0.9
59.05002	0.5
59.24664	0.3
61.02901	0.5
67.05505	8.6
69.03426	4.5
69.07066	7.3
69.07434	0.4
71.04990	1.8
73.02921	0.4
77.03915	0.6
79.05090	0.5
79.05496	4.6
79.14902	0.3
81.03413	3.1
81.07057	21.8
82.07394	0.4
83.04966	2.5
83.08618	2.2
85.02899	4.7
85.06545	3.2
87.00828	1.6
91.04942	0.5
91.05483	8.3
91.30601	0.3
93.07043	12.2
95.04985	2.0
95.08604	7.8
97.02891	2.9
97.06537	2.5
97.10159	1.0
99.04458	4.3
105.01851	1.4
105.07035	11.0
107.04947	0.3
107.08591	21.9
108.08926	0.4
109.02887	1.6
109.06519	8.1
109.10156	45.9
110.10501	1.0
111.08054	1.2
111.11713	0.5
113.06017	1.1
115.05460	0.4
115.07597	0.5
117.01854	0.4
117.07005	0.6
119.08583	4.1
121.06513	1.1
121.10150	5.7
122.10440	0.3
123.08057	2.6
123.11709	9.4
125.09640	0.5
127.03922	3.8
127.07555	6.8
128.06190	0.4
129.07027	0.5
131.08551	1.1
133.10127	39.2
134.10480	0.9
135.04411	15.6
135.08066	0.4
135.11687	3.0
136.04753	0.4
137.02351	0.4
137.05963	0.4
137.09633	0.8
137.13239	1.6
139.11147	0.5
143.04915	0.7
145.04982	1.8
145.06403	0.7
145.10139	2.0
147.11685	6.3
147.12834	0.4
149.02336	0.6
149.09593	1.1
149.13268	1.7
151.03925	3.5
151.11176	83.8
152.11523	2.4
153.12737	0.9
157.06517	0.8
157.10132	0.8
159.02875	1.1
159.04219	0.4
159.11688	1.0
161.06020	0.5
161.09595	0.7
161.13254	1.3
163.03947	0.3
163.07680	0.3
163.11217	1.6
163.14830	0.8
165.12750	3.1
167.10667	0.7
169.12238	19.3
170.12581	0.7
173.05989	3.5
173.09692	0.4
175.11186	0.7
175.14824	0.7
177.16408	1.1
179.10667	17.1
180.10985	0.6
181.12260	1.4
183.11697	0.4
185.05980	5.7
186.06685	0.5
187.07529	0.8
187.14894	0.4
189.05449	0.5
189.16476	0.5
191.10664	0.6
193.12149	1.9
193.15855	0.4
197.11699	3.1
199.13182	0.4
199.32787	0.3
201.16338	0.5
203.07043	4.7
203.17921	1.4
204.07581	0.3
211.13116	0.5
215.07014	1.2
215.12779	27.7
216.13112	0.7
217.08569	0.5
221.18906	0.4
229.14325	1.3
231.04767	0.5
233.08066	4.6
233.11668	0.4
239.17929	0.4
247.07634	0.4
249.07555	0.5
257.18961	0.3
257.22528	0.6
275.23572	0.7
277.08899	0.4
277.21579	2.4
285.16879	0.5
293.24802	0.9
299.23740	0.8
305.08054	1.3
317.24762	7.2
318.24948	0.4
323.09152	1.3
335.09125	1.2
335.25793	100.0
336.26126	6.8
337.10806	0.4
353.10205	2.3
353.26843	3.2
354.10529	0.4
371.11447	0.4
393.23151	0.3
411.13687	0.6
439.26996	2.0
494.40869	0.3
636.21112	2.6
637.32495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
50.81660	0.2
51.02394	0.5
53.03945	0.3
55.01879	0.4
64.43661	0.2
65.03945	0.2
70.74274	0.2
73.03370	0.2
77.03910	1.3
79.05485	1.2
89.03934	0.3
91.05482	3.0
91.05996	0.3
95.04962	2.5
98.08205	0.2
102.04665	0.6
103.05466	51.0
104.05782	0.9
105.03397	4.0
105.04479	1.3
105.07031	8.7
106.07378	0.2
107.04935	0.3
109.06542	0.2
115.05457	2.4
118.04147	0.4
119.04942	5.0
125.05977	0.3
131.04927	100.0
132.05206	1.6
133.06488	7.3
135.04414	13.9
135.20670	0.2
136.04753	0.2
137.05998	1.5
143.06050	1.1
146.07295	0.5
147.04405	8.3
149.02332	0.8
151.07561	1.0
153.05515	0.4
154.94157	0.4
157.32071	0.2
159.08044	0.7
161.05975	20.5
162.06332	0.3
163.07539	30.9
164.07924	0.6
172.95242	0.5
177.05696	0.2
179.05730	0.1
179.07024	5.8
185.05731	10.8
186.06053	0.3
189.09177	0.2
193.04916	0.4
196.07497	0.2
199.07591	1.4
200.04378	0.2
201.05220	1.6
202.07785	0.3
203.08574	0.5
218.69093	0.2
231.08049	0.6
259.07474	0.5
260.08160	0.2
263.10742	0.3
288.22086	0.2
289.14224	0.2
291.10159	5.0
292.07785	0.2
295.13049	0.3
300.99170	0.3
301.10593	0.3
311.29013	0.2
315.85767	0.2
321.11020	0.8
323.08865	2.1
323.12769	2.3
331.11786	1.1
353.09818	1.2
438.12463	0.2
475.20218	0.3
485.15744	6.3
486.15985	0.4
515.16821	3.6
559.50201	0.2
621.15674	0.4
630.39911	0.2
637.19543	2.7
637.35010	0.2
638.20923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
55.39813	1.7
69.25280	5.0
69.25686	2.5
81.03410	5.5
85.02908	2.0
86.09677	1.9
100.11243	8.6
114.38652	1.6
129.07040	1.3
135.04431	4.9
136.04721	2.5
146.32652	1.5
149.02367	7.2
150.02667	3.5
154.12224	2.0
182.15367	4.9
189.05214	5.8
196.13400	1.5
203.06871	2.4
205.04730	3.6
210.14861	3.6
232.06912	3.4
245.07843	3.9
354.10480	3.2
371.11069	2.6
372.11514	3.9
395.11105	1.6
410.13239	3.5
411.13699	2.0
425.11896	1.8
440.14359	3.4
442.15948	10.8
526.96558	1.7
636.47900	2.5
637.22101	100.0
637.32135	26.1
637.47858	2.6
638.22321	5.4
640.45856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85514	0.2
69.31921	0.8
70.06606	0.2
75.30148	0.2
75.67841	0.2
76.60513	0.2
83.11379	0.2
98.22739	0.4
154.94235	0.2
161.01953	0.2
175.03731	0.3
176.04434	0.3
177.05359	0.2
203.06931	0.4
231.06210	0.2
249.07286	0.3
265.22818	0.2
395.10989	1.9
403.13382	0.2
410.13422	5.1
411.14255	0.3
425.12112	0.7
426.68051	0.2
440.14337	2.1
580.10669	0.2
589.20544	0.4
637.22534	100.0
638.22833	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	637.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01871	0.9
56.05054	0.5
57.03426	1.5
59.04994	0.7
61.02912	1.6
66.79764	0.4
69.03426	11.4
69.19881	0.4
69.71268	0.4
70.06583	1.8
71.04990	0.5
71.44096	0.4
72.08144	0.5
73.02919	2.6
73.78819	0.4
81.03419	5.6
84.08134	0.5
85.02904	31.6
86.09702	2.2
87.04469	12.8
88.07624	1.0
88.86662	0.3
91.03953	1.1
91.05481	1.0
97.02888	9.4
99.04471	2.0
103.03967	1.1
103.05448	0.6
104.05329	0.8
107.04956	0.5
109.02886	4.3
110.07092	0.4
111.04435	0.4
115.03930	44.7
116.04218	0.5
117.07000	0.6
120.08085	0.9
127.03915	14.5
128.06223	1.2
129.07021	5.6
131.04909	1.1
131.08557	6.9
131.21028	0.4
133.04968	12.1
137.05981	5.4
141.06990	4.5
143.04887	0.8
143.08559	1.5
144.05708	0.6
145.04950	11.8
145.06351	0.7
151.03809	0.6
151.07538	1.0
157.05048	0.9
157.06482	5.5
158.07260	2.3
159.08038	5.4
160.05190	1.1
161.04437	1.9
161.05893	0.5
163.03899	0.8
163.05992	2.4
163.07394	0.7
169.06450	2.3
169.07718	0.5
170.07324	0.8
171.08031	1.3
173.05997	0.7
174.06764	12.7
175.07556	4.1
179.05429	2.0
186.06752	3.2
187.07515	0.8
188.08322	1.0
189.09106	25.7
190.09375	0.7
190.29590	0.5
191.08998	0.4
191.10684	1.9
197.13045	0.4
201.09103	10.5
203.08951	0.6
203.10677	6.9
207.10214	1.2
218.21144	6.6
219.10158	100.0
219.21455	4.0
220.10516	2.7
220.21809	0.7
237.11186	0.9
247.07790	0.5
259.08154	3.1
260.10706	0.5
263.10733	0.5
275.07642	1.8
277.09183	4.0
279.10080	0.9
291.10147	0.7
293.08688	0.6
309.11270	0.8
325.14240	1.4
341.13858	1.5
341.19452	0.4
343.99802	0.4
425.96387	0.4
524.68030	0.4
579.28381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01871	0.9
56.05054	0.5
57.03426	1.5
59.04994	0.7
61.02912	1.6
66.79764	0.4
69.03426	11.4
69.19881	0.4
69.71268	0.4
70.06583	1.8
71.04990	0.5
71.44096	0.4
72.08144	0.5
73.02919	2.6
73.78819	0.4
81.03419	5.6
84.08134	0.5
85.02904	31.6
86.09702	2.2
87.04469	12.8
88.07624	1.0
88.86662	0.3
91.03953	1.1
91.05481	1.0
97.02888	9.4
99.04471	2.0
103.03967	1.1
103.05448	0.6
104.05329	0.8
107.04956	0.5
109.02886	4.3
110.07092	0.4
111.04435	0.4
115.03930	44.7
116.04218	0.5
117.07000	0.6
120.08085	0.9
127.03915	14.5
128.06223	1.2
129.07021	5.6
131.04909	1.1
131.08557	6.9
131.21028	0.4
133.04968	12.1
137.05981	5.4
141.06990	4.5
143.04887	0.8
143.08559	1.5
144.05708	0.6
145.04950	11.8
145.06351	0.7
151.03809	0.6
151.07538	1.0
157.05048	0.9
157.06482	5.5
158.07260	2.3
159.08038	5.4
160.05190	1.1
161.04437	1.9
161.05893	0.5
163.03899	0.8
163.05992	2.4
163.07394	0.7
169.06450	2.3
169.07718	0.5
170.07324	0.8
171.08031	1.3
173.05997	0.7
174.06764	12.7
175.07556	4.1
179.05429	2.0
186.06752	3.2
187.07515	0.8
188.08322	1.0
189.09106	25.7
190.09375	0.7
190.29590	0.5
191.08998	0.4
191.10684	1.9
197.13045	0.4
201.09103	10.5
203.08951	0.6
203.10677	6.9
207.10214	1.2
218.21144	6.6
219.10158	100.0
219.21455	4.0
220.10516	2.7
220.21809	0.7
237.11186	0.9
247.07790	0.5
259.08154	3.1
260.10706	0.5
263.10733	0.5
275.07642	1.8
277.09183	4.0
279.10080	0.9
291.10147	0.7
293.08688	0.6
309.11270	0.8
325.14240	1.4
341.13858	1.5
341.19452	0.4
343.99802	0.4
425.96387	0.4
524.68030	0.4
579.28381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44130	0.2
53.03938	0.4
55.05503	1.1
57.03437	2.1
58.35461	0.3
61.02927	3.0
67.05511	4.2
69.03426	2.0
69.07070	1.0
71.01347	0.7
71.04998	0.5
73.02917	1.8
79.05494	3.6
79.25401	0.2
81.03409	1.8
81.07051	2.1
83.04977	0.7
83.08616	0.3
83.39860	0.2
85.02901	3.7
85.06516	0.3
91.03960	1.8
91.05482	1.5
93.07044	4.7
95.04958	0.7
95.08617	0.7
97.02898	3.4
97.06513	1.2
97.10162	1.0
99.04456	0.4
101.02374	1.0
103.04030	0.2
105.07025	0.7
107.04941	0.3
107.08600	3.1
109.02888	0.8
109.10160	0.6
111.08105	0.3
117.07014	0.4
119.08569	0.6
121.02881	0.3
121.10139	0.7
125.09647	0.5
127.03913	1.3
133.10104	0.4
135.11693	6.9
145.04922	0.4
145.10147	1.1
162.61469	0.2
163.11203	0.7
181.12273	1.1
185.04178	0.4
201.77057	0.2
221.11452	1.7
243.08423	2.1
255.15837	1.3
277.14154	0.7
353.22989	0.6
439.19403	14.7
440.19647	0.6
475.26691	0.4
637.31647	100.0
638.31921	4.8
638.41217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01649	0.5
55.01873	4.6
55.05508	2.2
57.03428	0.9
59.77896	0.4
62.80763	0.4
65.03941	0.8
67.05495	2.2
68.38470	0.4
69.03432	7.1
69.07068	5.6
71.04985	2.9
73.02893	0.4
77.03928	1.0
79.05489	10.4
81.03409	4.5
81.07050	2.9
83.04981	3.2
85.02886	2.0
85.06556	0.4
87.00799	0.8
91.05479	6.7
93.07041	8.7
95.04966	5.7
95.08604	1.5
97.02876	1.8
97.06528	9.5
99.04453	5.3
99.71753	0.4
101.68572	0.5
103.05433	2.0
105.01891	0.4
105.04512	1.2
105.07028	44.7
107.04954	7.6
107.08609	3.0
109.02878	1.8
109.06524	1.9
109.10123	0.5
111.04422	0.5
115.03935	0.6
115.05379	2.0
117.07018	7.8
119.04920	1.4
119.08570	4.5
121.02886	0.7
121.06501	34.4
121.10141	0.9
125.05985	6.3
127.03900	1.6
128.06221	1.5
129.06978	4.1
130.07800	4.0
131.04912	1.3
131.08549	9.6
133.06485	25.7
133.10120	4.2
135.04417	2.1
135.08032	1.2
135.11710	0.5
137.05948	1.1
139.07561	1.0
141.06969	3.1
142.07826	0.6
143.07028	7.0
143.08545	4.9
144.05673	0.4
144.09373	2.3
145.04932	0.6
145.06474	11.3
145.10118	50.6
146.07321	1.2
146.10498	0.7
147.08022	1.2
147.11623	0.6
151.07550	1.2
153.06961	1.2
154.07732	3.8
155.08540	7.8
157.06470	0.8
157.10086	1.5
158.07260	16.9
158.08571	0.9
159.04352	0.9
159.08057	14.3
159.11685	19.2
161.05966	0.5
161.09610	2.4
163.11177	0.6
167.08487	0.6
169.10100	8.1
171.08038	3.3
171.11739	1.2
172.08830	6.9
173.09612	100.0
174.06804	0.5
174.09995	2.0
175.07587	0.6
175.14813	4.8
177.16370	0.5
179.08560	3.8
181.06456	0.7
182.07225	2.5
183.09210	0.6
185.09625	0.8
187.11171	44.2
188.11476	0.6
189.09099	0.6
189.12813	1.0
191.10672	2.4
197.09599	13.8
205.12228	18.4
213.09103	0.8
215.10664	75.4
216.10999	1.5
233.11717	80.1
234.12074	1.4
251.12749	3.7
257.11804	0.8
275.12738	0.8
277.10657	0.7
301.10623	0.6
319.11755	3.4
337.12793	28.3
338.13043	0.5
341.13843	1.0
355.13861	16.4
359.14810	2.0
377.15988	1.4
395.16888	1.1
422.28735	0.5
463.16074	0.6
481.16965	3.0
499.18069	13.0
500.18353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01869	2.3
55.05506	3.0
67.05498	2.3
69.03429	15.8
69.07076	5.2
69.22955	0.7
69.81196	1.7
71.04981	4.7
77.03964	0.9
79.05491	8.8
81.03406	5.5
81.07048	5.2
83.04974	2.6
83.08604	1.1
85.02919	5.4
87.00860	1.0
87.04414	0.8
91.05476	8.7
93.07047	4.7
95.04967	4.9
95.08591	2.7
97.02888	2.0
97.06544	4.6
99.04452	6.3
102.46767	0.7
103.05447	1.6
105.01885	1.4
105.07029	67.2
106.07310	0.9
107.04942	2.5
107.08593	7.1
109.02887	2.2
109.06506	2.3
109.10155	1.9
109.76403	0.6
110.08331	0.7
113.05999	1.4
113.24588	0.8
115.03939	0.9
115.05411	1.1
117.07034	8.0
119.04922	1.4
119.07748	1.4
119.08581	21.9
119.09421	1.6
121.06497	8.9
121.10146	3.2
123.08096	0.9
123.11708	0.9
125.05987	4.1
127.03921	3.8
128.06184	1.0
129.06985	4.2
130.07780	5.7
131.07657	1.0
131.08569	11.7
133.06493	15.4
133.10115	12.0
135.04404	1.0
135.08101	1.1
135.11719	1.4
137.05986	1.4
139.10190	0.7
141.06995	2.2
141.16203	0.7
143.07013	2.3
143.08556	5.7
144.05675	1.0
144.09337	4.0
145.04930	1.4
145.06476	6.8
145.10121	100.0
146.10449	1.5
147.08047	1.0
147.11674	2.0
149.05992	1.4
151.07524	1.3
154.07755	2.7
155.08549	4.2
156.09283	0.8
157.10094	2.9
158.07243	9.8
159.08089	8.4
159.11690	39.2
160.12042	1.0
161.09627	8.7
161.13293	1.0
163.06088	0.7
163.07526	1.5
163.11159	2.3
169.10114	7.9
171.08044	1.4
171.11682	1.6
172.08861	3.8
173.09615	52.3
174.10016	0.9
175.14818	23.9
177.12686	0.9
177.16467	1.6
179.08641	0.7
182.07219	1.1
187.07584	1.1
187.11180	34.6
189.12704	3.2
191.10707	1.5
197.09595	7.1
205.12238	90.2
206.12514	2.3
215.10669	99.4
216.11057	1.7
217.58521	0.7
233.11726	63.0
234.11975	2.2
238.62910	0.7
251.12817	6.2
309.13297	5.6
313.14233	0.9
319.11826	7.8
319.22723	2.1
337.12814	29.5
337.23560	1.3
338.13055	1.4
350.62744	0.8
355.13922	10.2
359.14853	2.6
377.15894	1.3
395.16818	1.4
481.16684	4.5
499.18079	15.2
638.23932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17188	0.5
53.03957	1.7
54.55208	0.4
54.73285	0.4
55.01882	2.0
55.05550	0.4
56.05053	0.5
57.03450	1.3
57.54039	0.4
61.02934	1.0
63.49255	0.5
67.05524	1.4
69.03428	9.4
69.77689	1.5
70.06599	1.2
71.05009	1.1
73.02914	2.1
79.05494	1.1
80.05022	0.5
81.03419	5.5
81.07075	0.7
82.06583	0.7
84.08176	1.2
85.02899	8.1
87.00839	1.1
87.04468	0.6
91.05524	1.0
93.07083	1.2
94.06590	1.3
95.07976	0.4
95.08602	1.0
96.08175	0.9
97.02893	4.9
97.08948	1.7
98.23372	0.9
99.04427	2.2
103.03969	0.5
105.07041	0.6
107.08655	0.5
108.08144	0.5
109.02877	4.3
109.06574	0.6
110.08798	0.4
110.09746	1.3
111.04478	0.5
115.91140	0.5
117.01926	0.6
117.07054	0.5
119.08567	0.7
120.08138	1.1
122.09733	1.4
123.04462	0.6
125.06010	0.7
125.55222	0.4
127.03909	5.7
129.07013	0.7
131.08612	1.1
132.08215	0.6
133.10262	0.5
133.39336	0.4
134.09663	2.5
136.11212	17.6
137.06042	1.8
137.12027	1.1
138.09187	0.6
138.12784	0.6
143.08620	1.5
145.05048	1.4
145.10193	1.2
146.09688	0.8
147.08142	0.4
148.11266	2.0
150.12810	2.5
151.13600	0.8
157.10133	0.5
160.11328	1.4
162.12779	7.9
164.14418	1.4
172.11229	0.6
174.12833	1.1
176.10918	0.5
176.14337	11.3
177.14957	0.6
182.11816	0.7
186.12895	0.9
187.06097	1.0
188.14561	1.0
200.14478	0.8
204.13887	0.6
214.16039	0.5
216.13942	0.9
218.11763	0.6
220.13461	1.2
232.13440	1.4
233.14191	0.8
234.14958	2.5
235.15617	2.1
236.16565	1.9
242.15669	0.5
246.14969	0.6
248.16484	3.1
258.15112	0.6
260.16473	3.5
261.17371	0.7
262.18073	6.5
262.20520	0.6
264.12439	0.6
268.61133	0.5
272.16742	0.7
274.18155	1.6
278.17532	9.6
286.18127	0.8
298.18182	0.8
306.17310	0.7
316.19269	1.8
320.18652	1.2
326.21384	1.2
344.22238	2.8
354.20914	1.2
358.20468	1.1
362.23508	0.6
372.21680	53.0
373.21979	3.3
390.22736	52.1
391.23190	2.3
410.13260	0.7
411.13953	0.7
418.22433	0.6
432.23834	0.8
481.55219	0.5
482.23837	3.5
502.66354	0.5
552.28149	0.8
566.29834	0.9
594.29047	25.3
595.29846	1.8
638.28400	100.0
639.28595	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	638.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66909	0.2
51.67162	0.2
51.72867	0.3
53.03943	0.5
55.01881	0.5
55.05510	5.4
57.03442	0.5
61.02925	0.4
63.09029	0.3
65.03941	0.7
67.05489	2.6
69.03422	3.0
69.07065	8.6
70.96750	0.5
71.04989	4.3
73.02887	0.4
77.03918	0.4
79.05495	3.0
81.03414	2.0
81.07056	7.8
83.04987	0.4
83.08619	3.3
85.02904	8.8
87.00816	2.5
87.04467	0.3
91.05481	10.3
91.06061	0.5
93.07047	4.5
95.04975	1.0
95.08604	9.8
97.02899	3.4
99.04460	0.9
99.08134	0.4
103.03948	0.3
103.05464	1.0
104.06239	0.7
105.01233	0.4
105.01875	4.6
105.04556	0.4
105.07027	21.9
106.07370	0.3
107.08590	17.0
108.08957	0.3
109.02872	1.9
109.06511	1.0
109.10132	2.2
113.09686	0.3
115.04049	0.2
115.05444	0.4
117.07014	4.4
119.08577	100.0
120.08894	1.8
121.06380	0.3
121.10149	5.1
123.08040	0.4
123.11710	0.6
127.03919	5.3
131.08553	1.4
133.10124	21.2
134.10439	0.6
135.08101	0.4
135.11690	1.6
137.05954	0.3
137.09651	0.4
145.04968	3.8
145.10101	1.7
146.10878	0.6
147.11697	3.8
159.02917	0.4
159.11662	0.5
160.12436	0.5
161.13264	0.9
163.06056	1.4
173.09647	0.3
173.13277	1.0
175.14815	97.0
176.15184	2.7
177.16405	0.7
184.23172	0.3
185.13527	0.2
187.11261	0.3
187.14749	0.3
193.15894	1.2
199.14786	0.3
211.14861	0.3
215.09096	1.6
231.04944	2.1
233.10104	2.6
249.06020	2.1
249.14937	0.7
282.91757	0.3
284.09512	0.3
319.10303	0.4
319.19037	0.4
319.22562	0.4
337.23495	0.3
355.96085	0.3
390.22638	0.3
393.09738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57645	0.2
50.88932	0.2
51.45541	0.2
53.03942	1.0
53.54382	0.2
55.01874	0.6
55.05513	5.4
55.05782	0.3
55.86744	0.2
57.03442	0.5
57.07072	0.5
61.02935	0.4
64.43565	0.2
65.03957	0.6
67.05505	1.7
68.99799	0.2
69.03432	3.3
69.07070	10.8
69.14545	1.2
69.74689	0.2
71.04996	0.8
71.96498	0.2
73.02921	0.4
77.03920	0.2
79.05500	1.9
81.03416	2.4
81.07058	5.6
83.04966	0.3
83.08626	3.2
85.02907	7.4
87.00836	3.9
87.04489	0.3
91.05482	7.1
93.07050	3.2
95.04963	0.6
95.08610	6.9
97.02895	2.9
99.04459	1.2
99.08109	0.3
103.05460	0.5
104.06261	0.4
105.01870	7.3
105.07031	17.4
106.07303	0.2
107.08598	10.1
109.02876	2.0
109.06547	0.3
109.10192	1.3
115.03947	0.4
115.05455	0.3
117.01881	0.3
117.07009	3.1
119.08583	62.2
120.08176	0.2
120.08841	1.2
121.10154	3.6
123.08038	0.3
123.11685	0.3
127.03026	0.3
127.03921	5.0
129.01842	0.4
131.08592	1.2
133.10132	28.6
134.10477	0.6
135.11699	3.3
145.04950	2.4
145.10146	1.5
146.10910	0.3
147.11681	3.9
148.12045	0.2
149.13235	0.2
157.10110	0.3
159.02888	0.7
159.11713	0.4
160.12474	0.9
161.13225	0.7
166.18410	0.2
173.13284	1.1
175.14822	100.0
176.15179	3.6
177.16426	0.9
179.30156	0.3
183.06464	0.4
187.14795	0.3
189.03935	0.4
193.15915	2.6
199.14876	0.2
207.06477	0.6
217.15883	0.3
231.05025	2.4
231.13831	0.2
249.06111	2.5
258.67889	0.2
283.16901	0.3
286.39590	0.2
301.09097	0.5
319.10159	0.4
320.18552	0.7
390.22717	0.4
405.18933	0.3
423.19907	0.5
638.27783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77783	0.4
53.03942	0.6
53.53996	0.4
55.01865	0.5
55.05510	6.2
56.08791	0.4
56.35830	0.5
57.03425	0.6
57.07080	0.7
58.77123	0.4
64.15495	0.5
66.56945	0.5
67.05498	1.7
69.03429	2.2
69.07068	9.5
71.04983	1.4
77.03934	0.6
79.05489	2.0
81.03424	1.7
81.07060	6.9
83.04961	0.6
83.08620	2.9
83.22327	0.4
84.09994	0.4
85.02906	6.4
85.06537	0.4
87.00830	1.8
91.05477	6.7
93.07041	3.7
95.04981	0.6
95.08602	7.7
97.02885	2.6
99.04449	0.8
103.05461	0.5
105.01853	5.0
105.07028	17.8
107.08598	10.6
109.02888	1.3
109.06529	0.6
109.10147	2.8
115.05438	0.4
117.07021	2.8
119.08584	67.1
120.08907	1.1
121.10159	3.6
123.11664	0.4
127.03928	5.3
131.08586	1.4
133.10133	25.9
134.10454	0.4
134.64694	0.4
135.11662	2.6
137.09578	0.5
145.04941	1.7
145.10118	1.7
147.11681	3.0
160.12486	1.2
161.13269	0.8
171.11740	0.5
173.13257	1.0
175.14821	100.0
176.15163	3.0
193.15892	5.2
215.09145	0.9
231.04993	1.1
233.10231	1.0
249.06047	2.7
265.15842	0.4
269.59088	0.5
272.79962	0.4
319.10181	0.7
332.02530	0.4
492.13492	0.4
543.36548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
53.45093	0.5
55.05511	5.7
65.03951	0.5
67.05503	2.2
67.21262	0.5
69.03422	1.5
69.07068	8.8
69.22413	2.9
70.89249	0.5
71.04984	3.1
71.61124	0.4
72.73855	0.4
79.05489	1.9
81.03408	1.1
81.07056	7.1
83.08630	3.6
85.02905	5.2
87.00819	1.7
91.05479	10.2
93.07056	3.9
95.04967	0.6
95.08597	8.3
97.02897	2.1
99.04427	1.1
103.05488	1.1
105.01859	2.7
105.07029	17.5
105.07727	1.0
106.07355	0.6
107.08595	16.3
109.02871	1.0
109.06489	0.5
109.10161	2.1
117.07029	4.8
119.08579	100.0
120.08924	1.5
120.46194	0.4
121.10130	4.6
127.03913	3.7
131.08530	1.5
133.10132	22.9
134.10463	0.9
135.11703	1.5
145.04955	2.2
145.10135	1.5
146.10977	0.6
147.11667	3.6
160.12573	0.6
161.13300	0.8
163.05971	0.9
175.14821	91.3
176.15167	2.7
177.16418	0.5
180.87048	0.4
193.15948	0.6
215.09085	1.6
231.04922	1.0
233.10222	3.4
249.06065	1.3
573.43585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55225	1.4
53.03935	3.2
55.01871	2.2
55.05514	12.3
57.03442	2.1
57.07072	9.2
57.92682	1.4
63.60033	1.2
65.13638	1.3
67.05506	23.0
69.03432	8.3
69.07072	28.1
70.06594	3.0
71.04992	4.5
71.08626	3.6
71.43117	1.9
72.08164	1.5
75.95706	1.4
79.05486	14.9
81.03429	14.7
81.07057	66.5
82.03738	1.7
82.09419	1.6
83.04968	9.6
83.08617	15.1
85.02909	11.9
85.06532	5.3
86.06080	7.6
87.00887	2.3
91.05482	13.3
93.07045	29.9
94.07410	1.8
95.04969	8.7
95.08021	2.9
95.08609	48.6
96.08132	2.3
97.02882	5.4
97.06532	10.9
97.10161	5.9
98.09677	3.4
99.04451	10.5
99.08077	1.8
101.06016	3.1
103.05502	2.4
105.07030	24.7
107.04940	4.4
107.08589	30.1
108.08090	1.4
109.02876	3.4
109.06527	11.7
109.10169	29.9
111.04433	5.0
111.08099	5.5
116.10725	11.8
117.06994	2.6
119.04933	2.7
119.08585	14.0
121.06506	40.6
121.10144	22.1
123.08067	7.8
123.11698	20.5
125.09618	2.3
127.03932	4.9
127.07544	8.3
129.05492	2.9
129.07021	1.7
129.22223	1.5
131.08533	4.9
133.06572	2.2
133.10124	24.9
135.04387	3.8
135.08069	1.8
135.11693	19.3
137.05894	1.8
137.09581	4.2
137.13239	18.0
139.07545	1.7
142.08635	2.2
142.12276	3.4
143.10651	2.4
145.04919	2.3
145.10133	5.0
147.08098	1.8
147.11693	21.4
149.02354	6.2
149.09612	4.7
149.13290	15.7
150.02695	2.5
151.07520	1.8
151.11185	32.5
151.14793	1.9
153.09090	2.7
153.12759	3.1
155.14359	3.6
157.06514	2.5
157.10114	3.3
159.02719	1.3
159.08080	2.0
159.11722	1.8
161.13264	4.5
163.11172	6.9
163.14790	4.4
164.10670	1.8
165.09119	2.6
165.12772	12.5
165.16422	2.0
167.10582	3.8
167.14325	2.2
171.11752	2.4
173.09584	2.5
173.13303	2.2
175.11180	11.0
175.14900	1.5
176.69852	1.6
177.12755	2.2
177.16435	4.3
179.10696	5.0
179.17802	2.2
181.12238	6.4
183.13785	2.1
185.13370	1.4
188.04665	1.7
189.12770	3.0
189.16353	1.9
191.14336	2.5
191.17917	2.2
193.12242	34.2
195.13876	5.2
203.07100	2.6
203.17953	3.8
205.12244	2.2
205.19478	2.6
207.13802	5.0
209.15492	2.6
211.13309	12.9
214.17973	2.2
215.10774	1.5
226.14328	3.8
229.12206	3.1
229.14352	45.0
249.07506	2.2
257.11713	4.5
259.06052	3.5
263.19965	3.8
283.24139	3.4
292.18967	3.1
301.10602	1.7
301.25146	3.6
317.08331	1.6
319.22632	3.9
319.26309	47.5
320.26385	2.0
337.27362	100.0
338.27472	3.9
352.17490	3.2
355.15082	1.6
355.24246	2.6
355.28421	36.1
356.28622	1.8
370.18347	3.1
372.21957	1.8
384.22467	1.8
388.19839	11.0
390.22672	6.3
476.27304	1.7
486.26813	1.9
510.28735	2.5
523.32678	1.6
540.24390	16.0
549.30151	4.2
620.30182	2.3
638.23547	9.2
638.32593	30.5
639.34344	9.9
640.59772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01874	1.4
55.05512	3.3
57.03444	2.9
57.07072	0.5
59.04996	0.4
61.02935	4.1
65.03957	0.4
67.05507	10.4
69.03432	4.2
69.07069	1.6
71.01355	0.5
73.02914	2.8
79.05496	6.2
81.03422	12.3
81.07059	7.2
83.01333	0.6
83.04988	3.7
83.08630	3.3
85.02919	6.4
85.06550	0.6
86.09711	0.4
87.04476	0.8
88.84081	0.4
89.64692	0.3
91.03965	2.6
91.05489	8.5
93.07053	5.4
95.04977	4.7
95.08611	2.6
97.02909	4.8
97.06528	0.9
99.04470	1.2
99.08150	0.5
101.02402	1.2
104.31324	0.3
105.07035	5.8
107.04953	2.6
107.08604	2.4
109.02873	1.7
109.06553	0.8
109.10157	6.9
111.04464	1.1
111.08135	1.3
112.23546	0.3
115.03947	1.0
115.05486	0.5
117.06995	0.9
117.30350	0.3
119.04972	0.4
119.08582	4.3
121.02818	0.3
121.06475	0.5
121.10147	2.2
123.08124	0.8
123.11724	0.6
125.06044	0.5
127.03931	2.6
129.07008	3.2
131.08566	2.9
132.50502	0.3
133.06487	0.7
133.10139	4.3
135.04475	0.4
135.11728	1.5
137.09628	0.8
142.07840	0.6
145.04912	0.7
145.10143	1.5
147.08121	1.0
147.11691	3.3
149.05943	0.4
149.09686	0.9
157.06644	0.4
157.10129	2.4
159.11700	0.4
163.03928	0.7
163.11183	2.1
165.12828	0.6
173.04471	0.6
173.09540	0.6
173.11728	1.8
175.11176	3.2
181.12323	0.6
191.10652	0.5
193.12244	5.7
195.09949	0.8
203.18011	0.4
209.11658	0.7
211.13295	4.4
227.12802	0.5
229.14426	1.5
241.06985	0.3
243.08476	2.1
249.10921	0.4
249.14616	0.4
267.15942	11.7
283.15503	0.7
285.17093	1.4
298.33542	0.4
329.17572	0.5
355.17499	0.6
384.25015	0.3
411.20242	0.4
413.17850	7.2
429.21014	0.5
459.27438	11.0
460.27872	0.4
467.18945	7.1
477.28748	2.7
522.99847	0.4
553.23401	1.6
621.32471	2.8
639.29901	100.0
640.30273	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83824	0.6
53.03938	4.6
53.54843	0.6
55.01863	4.4
55.05258	1.0
55.05513	18.4
57.03435	11.0
57.07077	0.8
59.04997	0.9
65.03936	2.3
67.05504	22.9
69.03064	0.9
69.03429	13.3
69.07072	7.8
69.98083	0.7
69.98417	1.5
71.01364	0.9
71.04988	6.1
73.02911	0.9
77.03927	1.1
79.05492	24.1
81.03418	100.0
81.07057	30.3
82.03746	1.4
82.07378	0.7
83.04980	18.9
83.08115	1.1
83.08620	19.6
85.02905	21.3
85.06554	2.1
87.04461	0.7
91.05481	30.1
92.05788	0.8
93.06443	0.9
93.07046	19.1
95.04974	27.2
95.08603	10.2
97.02893	13.4
97.03490	1.1
97.06542	6.1
97.10163	6.9
99.04465	3.5
99.08092	1.6
103.03971	0.7
103.05488	1.4
105.04510	1.1
105.07030	21.7
105.07740	1.2
107.04961	9.9
107.08593	12.9
107.09258	1.1
109.02879	14.4
109.06531	5.4
109.10164	4.7
111.04444	11.8
111.08080	9.0
113.06016	2.2
115.05487	2.6
117.07027	3.4
119.04975	1.8
119.08585	19.0
121.06519	3.6
121.10150	9.3
122.10541	0.6
123.04450	2.0
123.08086	3.1
123.11683	3.2
125.06048	1.9
125.09622	3.8
127.03912	7.3
128.06235	1.7
129.05518	0.8
129.07001	12.4
129.07857	1.0
131.04944	1.3
131.08566	12.4
131.09456	0.9
133.06473	3.7
133.10129	9.4
135.04364	0.7
135.08072	1.7
135.11720	2.6
137.09657	2.3
137.13321	1.1
141.07030	1.7
142.07816	2.6
143.08582	2.4
145.06488	2.7
145.10138	4.7
147.04445	1.8
147.08098	3.4
147.11676	16.5
148.12045	1.1
149.06006	1.4
149.09616	6.1
151.11279	1.2
153.09125	0.9
153.12776	2.4
155.08577	1.1
157.06500	0.9
157.10133	13.8
157.11378	0.8
159.04483	0.7
159.08098	0.9
159.11732	0.9
161.06010	1.1
161.70224	0.6
163.11165	3.7
165.09190	1.0
165.12750	6.6
171.08070	0.9
171.10300	0.7
171.11690	1.4
173.04529	1.9
173.05981	0.9
173.09702	1.8
175.11186	14.4
176.11612	0.7
181.12289	3.8
185.09599	0.8
185.13268	0.7
187.03944	0.7
189.09425	0.6
189.11279	2.1
189.12810	1.6
191.10768	2.6
193.12250	41.8
194.12578	1.2
205.12286	1.4
207.13879	0.7
209.11688	0.9
211.13287	53.5
212.13728	1.9
217.12440	0.8
223.13315	0.7
227.12691	4.9
229.14398	1.8
231.13821	1.1
233.15523	0.8
235.13348	0.7
245.15482	0.7
249.14908	2.0
253.14308	0.6
255.13817	1.4
259.13342	1.4
265.14554	0.7
267.09497	0.8
267.13126	1.3
267.15939	24.3
268.16312	1.0
273.14828	4.4
277.14557	1.6
283.15582	1.8
285.17004	13.1
285.19934	1.3
286.17108	0.8
289.14349	1.5
291.15970	1.1
301.14420	4.6
301.17606	0.9
309.17020	1.1
311.12659	0.7
314.09247	1.0
319.15546	2.0
329.17563	0.6
337.16580	3.3
347.18753	1.0
355.17914	4.7
367.22580	3.0
375.18286	1.1
385.23694	3.6
392.12701	0.8
393.19040	2.8
403.25012	1.4
411.20300	5.6
429.21222	3.6
441.26599	1.2
459.27341	11.2
477.28464	13.5
478.28967	1.2
495.29614	13.4
496.30032	1.6
501.28793	0.9
519.29510	1.2
543.29803	1.1
561.30786	1.5
567.30420	1.2
573.31055	1.1
585.30780	2.7
586.31226	0.8
603.31848	3.3
621.32544	13.9
622.33691	1.1
639.33820	46.5
640.34552	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	639.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
56.84867	0.4
57.07066	0.8
58.06603	6.3
67.05505	0.9
68.35896	0.4
69.07057	0.7
70.06599	0.6
72.08159	12.2
73.06549	1.9
81.07053	1.0
82.06646	0.4
82.29665	0.4
83.04984	1.8
84.08139	0.6
86.09711	22.0
90.76434	0.5
91.05441	0.5
100.11259	100.0
101.06026	2.1
101.11563	0.8
105.07063	0.6
127.28786	0.5
131.20871	0.4
140.14339	3.4
146.11771	2.3
147.07965	0.5
154.12225	1.4
154.15933	0.5
172.13301	2.2
200.16483	1.3
203.06964	2.1
211.14539	0.5
214.14404	0.9
228.15970	7.1
229.62613	0.4
285.21774	5.1
299.23315	7.8
313.21259	0.8
327.22791	11.5
370.79980	0.4
373.16324	0.6
395.25751	1.2
401.58875	0.6
440.30911	2.5
458.32254	6.1
484.33554	1.0
526.34674	0.9
587.60870	0.6
611.43787	32.7
612.43799	2.0
621.40515	0.5
626.83301	0.4
637.28668	0.4
639.43274	14.3
640.43713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	1.4
53.81445	0.4
55.01898	1.9
55.05503	3.0
56.05851	0.5
57.03453	1.3
57.07097	0.9
58.06622	0.4
59.05012	0.6
61.02945	0.9
61.96368	0.5
64.15404	0.5
65.03964	0.6
67.05505	4.2
68.99815	1.0
69.03432	7.2
69.07068	5.5
69.55785	1.5
69.56138	0.7
70.07436	0.7
71.05025	2.0
71.08669	0.6
73.02946	1.1
79.05484	3.1
81.03419	10.9
81.07059	11.4
82.03791	0.6
82.07413	0.7
82.79374	0.4
83.05020	1.5
83.08626	2.9
85.02908	12.0
85.06573	1.0
86.06098	0.6
87.00827	4.2
87.04509	1.3
91.05482	9.7
91.31340	0.4
93.07050	3.8
94.07451	0.5
95.05000	2.0
95.08601	8.0
96.08949	0.6
97.02882	5.7
97.06528	3.7
97.10210	1.9
98.09715	0.5
98.19658	0.4
99.04474	2.8
99.08100	1.1
101.06048	0.8
103.05502	1.8
105.01897	1.2
105.07055	3.4
107.04976	1.1
107.08601	3.4
108.08949	0.7
109.02875	5.2
109.06576	1.1
109.10156	4.6
109.10819	0.5
110.10511	0.7
111.04497	1.5
111.08107	1.4
111.11726	0.7
111.51855	0.5
112.17055	0.5
115.03944	3.7
115.05510	2.0
116.05025	0.8
116.10752	1.1
117.01893	0.7
117.07010	0.5
118.04198	1.9
118.06567	1.1
119.04937	3.0
119.08582	2.6
120.04469	4.6
120.05132	0.4
121.10143	2.3
123.08090	0.7
123.11710	2.7
125.09657	0.7
127.03920	8.3
129.04489	5.1
129.05365	0.7
129.07077	0.8
130.06586	1.8
131.04948	2.3
131.08577	1.2
133.04994	1.1
133.10181	2.0
134.10516	0.6
135.08069	0.7
135.11690	2.5
135.22173	0.5
136.06255	0.7
137.02382	0.8
137.06021	1.6
137.13234	3.2
140.04991	0.8
142.12291	1.1
145.05000	2.6
145.06500	0.6
145.10153	0.9
146.06056	1.2
147.04454	1.0
147.05513	0.6
147.11731	2.1
149.09622	1.0
149.13327	1.6
151.11250	1.1
152.11577	0.5
153.05936	0.5
153.12788	1.1
155.06146	0.5
155.14333	1.2
157.10156	0.6
158.06021	2.1
159.02945	1.7
161.06056	0.7
161.13246	0.7
163.03937	0.7
163.11238	0.6
163.14836	0.8
165.09210	1.0
171.04340	0.7
171.11797	0.5
172.03947	3.4
173.09622	0.5
174.05550	1.6
175.11211	0.7
177.16426	0.4
179.07080	0.9
181.04936	0.6
186.05501	41.0
187.04980	6.6
193.12280	1.4
194.12463	0.5
195.05585	0.6
196.04041	0.7
196.16991	1.3
204.06657	1.1
206.19910	0.5
211.13287	1.8
212.13742	0.6
213.03836	0.6
214.06247	3.1
214.18051	5.8
215.10739	4.2
226.14374	1.0
231.04959	0.7
233.11749	3.0
236.16351	0.5
244.07613	0.6
259.08087	0.8
267.16055	1.4
271.08691	2.5
273.25787	0.9
277.09448	1.9
286.09833	0.5
287.08136	2.6
291.26767	2.4
299.07315	0.5
300.07358	0.7
300.14310	0.9
301.18057	0.6
302.09235	8.2
309.27829	1.7
310.28287	0.9
311.12918	0.5
311.16376	1.3
314.09216	98.0
315.09586	4.4
317.08594	0.6
319.26334	1.4
320.26471	2.3
324.21603	1.7
327.28867	0.7
329.17517	1.8
330.08963	1.5
332.10300	7.9
337.27319	2.5
338.27744	4.1
339.28104	1.4
342.08725	51.5
343.09131	2.2
345.30057	0.9
346.19742	0.6
353.17380	0.6
360.09753	17.4
374.11346	14.2
375.11276	0.6
375.25055	1.3
388.20694	0.6
392.12387	100.0
393.12717	4.1
393.25946	1.0
398.21573	0.8
414.17325	2.5
459.27206	0.7
477.27893	0.8
478.28702	0.7
512.24927	2.8
524.20996	1.0
542.22095	1.9
597.31781	0.8
609.21844	0.4
621.31964	0.5
622.31519	0.7
639.33606	5.2
640.29254	16.8
641.31494	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	640.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	2.1
55.05508	3.7
57.03433	1.3
57.07074	0.9
61.02928	1.7
63.40736	0.2
67.05497	2.2
68.99799	0.7
69.03430	9.3
69.07066	7.1
71.04995	2.4
71.08633	0.3
71.44220	0.3
73.02915	1.9
75.38715	0.2
77.03925	0.2
79.05492	3.7
81.03421	7.1
81.03898	0.4
81.07057	8.3
83.01333	0.5
83.08620	5.8
83.26378	0.2
85.02905	26.8
85.06538	1.2
87.00827	11.5
87.04469	0.3
91.03957	0.6
91.05475	2.6
93.07045	9.3
95.04975	0.7
95.08607	21.5
95.17417	0.2
96.08958	0.3
97.02890	9.7
97.06521	0.3
97.10165	2.6
99.04455	3.5
99.08090	6.2
101.02419	0.2
103.03947	0.4
103.05447	0.3
105.01868	16.9
105.04522	0.2
105.07034	3.2
107.04966	0.3
107.08595	24.4
108.08934	0.4
109.02880	8.1
109.06519	0.5
109.10155	6.0
111.04462	0.3
111.08105	2.3
111.11742	0.5
113.09636	0.9
115.03943	0.5
115.11272	0.3
117.01851	0.8
119.06055	0.4
119.08582	2.3
121.10144	39.5
122.10495	0.6
123.04424	0.2
123.08089	0.5
123.11707	3.1
125.09624	1.8
127.03914	16.3
129.01848	0.9
131.08575	0.5
133.07623	0.4
133.10118	2.9
135.10654	0.5
135.11691	9.8
136.12025	0.3
137.09518	0.2
137.13255	4.2
139.11195	0.7
143.08553	0.5
145.04958	7.4
145.10120	0.6
147.02896	0.4
147.04420	1.2
147.11699	0.8
149.13246	3.3
151.14737	0.2
157.10136	0.6
159.02913	2.9
159.11674	0.9
161.04347	0.2
161.09735	0.2
161.13287	0.6
163.14818	0.4
171.11713	0.7
173.09572	0.3
173.13216	0.6
175.14836	2.7
176.15010	0.3
177.16380	100.0
178.16734	2.6
179.17938	0.3
183.11671	0.3
185.13239	0.2
187.11211	0.3
187.14775	1.2
189.03946	0.7
189.16393	0.7
193.15887	0.4
195.17442	23.3
196.17709	0.2
199.14828	0.4
201.16388	0.5
205.15953	0.4
207.17397	0.4
209.13263	0.7
211.11169	0.2
213.03949	1.8
213.18488	19.3
215.13979	0.2
217.15753	0.2
219.17505	1.2
227.14307	0.4
231.04976	7.3
231.17361	0.6
237.18492	0.6
243.17506	0.5
249.06068	5.4
249.18556	0.4
261.18478	0.5
267.17422	0.6
285.18454	1.7
303.19550	1.1
321.20676	0.4
363.21362	0.2
371.18378	0.4
389.19434	1.9
407.20609	3.7
408.20715	0.3
411.11096	0.2
425.21646	2.4
443.22601	0.8
461.23358	0.5
575.19318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01871	1.6
55.05507	4.5
57.03439	1.2
57.07069	1.0
61.02925	1.5
67.05507	3.0
68.99805	0.3
69.03426	6.2
69.06706	0.7
69.07062	9.6
69.43691	1.1
71.04999	2.0
73.02911	1.0
79.05486	3.5
81.03407	4.8
81.06565	0.4
81.07055	9.2
83.08612	5.8
85.02901	18.2
85.06544	1.2
87.00829	5.6
87.04475	0.4
91.03953	0.6
91.05468	2.5
93.07042	9.3
95.04948	0.9
95.08601	23.4
97.02890	6.0
97.06520	0.5
97.10158	3.6
99.04449	2.4
99.07442	0.5
99.08092	7.7
102.83826	0.3
105.01867	12.7
105.04517	0.4
105.07030	2.9
107.04962	0.5
107.08589	26.4
108.08903	0.5
109.02867	4.8
109.06557	0.4
109.10142	5.7
110.03992	0.3
111.08088	3.3
113.09644	1.1
115.03931	0.5
119.08576	2.3
121.10139	44.9
122.10442	0.8
123.08044	0.7
123.11736	1.9
125.09637	2.2
125.13213	0.3
127.03913	12.0
129.01787	0.5
129.06999	0.5
131.08554	0.4
133.07610	0.4
133.10091	1.6
135.11685	10.1
137.13243	3.6
139.11172	0.7
145.04950	4.4
145.10048	0.4
147.02881	0.4
147.04395	2.3
149.13263	3.6
159.02937	1.9
159.11658	0.5
161.13275	0.4
175.14801	2.4
176.15128	1.0
177.16376	100.0
178.16682	2.5
193.12302	0.5
193.15845	0.4
195.17432	28.0
196.17758	0.6
213.03900	0.9
213.18478	22.2
214.18773	0.7
214.27327	0.3
219.17432	0.5
231.04990	5.4
249.06041	4.6
303.19537	0.5
407.20560	0.7
425.21518	0.8
461.23492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01849	0.3
55.05512	3.6
57.03428	0.4
57.07070	0.9
61.02929	0.5
67.05502	3.0
68.44195	0.3
69.03432	2.4
69.06706	0.5
69.07069	6.8
71.04990	1.9
71.08638	0.4
71.43552	0.3
79.05486	4.0
81.03428	1.6
81.07056	11.5
83.04989	0.4
83.08617	5.1
85.02906	5.9
85.06550	0.5
87.00822	1.1
87.04409	0.4
91.05481	2.1
93.07043	9.2
95.04987	0.7
95.08606	24.3
95.31214	0.3
96.08872	0.3
97.02876	2.6
97.06520	0.7
97.10172	2.7
99.04461	0.6
99.08092	2.8
101.02370	0.3
105.01858	2.9
105.07037	3.8
107.08594	21.3
108.08893	0.4
109.02873	1.3
109.06517	0.5
109.10158	6.1
111.08067	0.9
113.09669	1.8
117.06973	0.5
119.08575	3.7
120.08846	0.4
121.06522	0.4
121.10145	33.0
123.11697	2.1
125.09611	0.7
125.13276	0.4
127.03932	2.5
133.10117	1.6
134.10490	0.4
135.11697	5.8
137.09651	0.4
137.13231	3.5
139.11209	0.9
142.51086	0.4
143.08556	0.5
145.04970	1.8
145.10124	1.0
147.11697	0.8
149.13248	2.9
151.11252	0.4
157.10167	0.5
159.11693	0.9
163.06146	0.4
169.12325	0.3
170.06119	0.3
171.11685	0.5
173.09566	0.5
173.13275	0.6
175.14816	4.0
176.15172	1.5
177.16382	100.0
178.16751	2.3
182.06242	0.4
183.86375	0.3
195.17441	13.9
196.17827	0.7
199.14815	0.4
201.16420	0.7
213.04016	0.3
215.10767	0.3
231.05057	1.6
231.17307	0.3
233.11722	0.4
233.19382	0.3
240.40652	0.4
249.06029	2.0
252.12328	0.7
285.18573	0.5
303.23157	0.9
321.20758	0.7
321.24185	1.3
339.25061	0.7
388.21252	0.4
405.59201	0.3
600.04187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01872	5.7
55.05507	19.4
57.03440	7.0
57.07063	7.8
58.88722	2.5
59.05009	5.9
61.02925	9.3
65.03947	4.1
67.05512	36.4
69.03433	25.9
69.07073	63.7
69.36976	13.4
71.04989	11.4
73.02898	2.6
79.05501	31.7
81.03416	22.1
81.07058	95.5
83.04988	9.5
83.08625	22.3
85.02905	46.5
85.06536	9.0
87.00836	20.3
88.90446	3.0
91.05489	22.4
93.07053	100.0
94.07866	2.8
95.04977	20.0
95.08609	98.3
95.09217	5.0
96.08900	3.2
97.02879	18.7
97.06535	26.4
97.10182	6.9
99.04450	7.9
99.08101	3.7
99.55014	2.8
100.12527	2.8
105.01862	21.9
105.04504	2.8
105.07037	17.7
107.07840	2.9
107.08594	72.9
109.02900	18.0
109.06508	16.3
109.10159	99.5
110.10456	2.8
111.08092	18.0
111.11721	14.5
113.09638	8.7
115.03918	2.7
117.07043	4.5
119.08580	21.3
120.08096	3.2
121.06489	3.5
121.10161	23.8
123.08038	5.0
123.11723	28.4
125.09628	15.5
127.03935	32.8
131.08571	6.3
133.10143	18.0
135.08061	6.1
135.11699	20.6
137.09624	99.3
137.13242	10.0
139.11201	6.0
142.59143	2.8
143.08519	3.4
145.04979	15.4
145.10094	7.7
147.11653	5.2
149.09669	9.2
149.13251	33.1
151.07541	6.2
151.11200	27.3
153.12747	66.6
155.10672	87.7
157.10155	3.0
159.02937	7.8
159.11635	7.1
163.11227	5.5
165.09084	3.0
167.10667	7.8
167.14322	93.3
168.14548	2.6
169.12216	9.5
171.13818	34.6
173.11795	25.6
173.13148	5.4
177.16426	3.2
185.15350	40.4
192.27740	3.3
194.10251	3.2
203.16327	3.0
219.17435	4.2
231.05028	10.0
233.11723	5.1
239.69156	2.8
249.06122	7.8
273.21887	3.9
285.22043	5.5
293.20917	3.6
303.23090	21.1
311.22113	4.4
321.24231	37.6
339.25217	27.1
357.26358	3.9
367.13895	6.5
385.15009	7.8
388.21542	3.4
388.71460	3.2
589.05414	3.1
640.33124	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	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	36.0
57.03449	18.0
57.06818	5.8
57.07080	68.1
59.27554	3.5
59.89484	3.7
65.03963	6.8
67.05508	87.1
69.03431	4.4
69.07069	39.2
69.23283	20.1
71.08637	41.9
76.03497	4.0
76.69754	3.4
79.05494	63.5
81.03418	6.2
81.07062	100.0
83.04990	12.7
83.08624	27.2
85.06559	5.1
85.10188	16.2
91.05480	62.0
91.30910	3.6
93.07043	59.6
94.51016	3.8
95.04986	17.4
95.08607	67.5
97.06543	14.3
97.10168	11.2
98.23528	7.1
105.04501	4.8
105.07040	46.2
107.04922	7.2
107.08580	24.1
109.06535	10.8
109.10146	25.8
111.08123	5.0
117.07056	19.3
119.08585	19.1
121.10149	11.5
123.08022	3.9
123.11674	6.6
129.07056	7.8
131.08528	20.8
133.10114	22.5
135.08061	7.9
135.11678	9.6
145.10071	11.5
147.11690	8.1
149.09622	5.5
149.13277	12.1
157.10156	4.3
159.11674	9.4
163.11246	5.6
169.10066	4.0
173.13304	5.0
181.12366	5.4
195.13834	3.7
239.23915	6.3
255.15948	10.7
257.18945	5.0
269.17499	13.9
275.20102	26.5
313.27319	56.3
313.65143	3.8
349.23819	21.1
493.38812	12.7
507.33618	6.3
507.40509	86.0
545.54578	4.4
587.46393	11.5
605.46033	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	641.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01862	1.2
55.05516	2.7
57.03430	0.3
59.04996	0.5
67.05502	2.3
69.03426	0.9
69.07056	0.6
69.39758	1.0
70.06583	0.4
71.05000	1.2
79.05493	3.9
81.03423	4.7
81.07059	2.8
83.04991	2.3
83.08604	0.3
85.02902	0.8
85.06509	0.3
86.09705	0.2
87.04476	2.6
91.05482	3.2
93.07050	3.2
95.04974	1.8
95.08612	1.6
97.02912	0.8
97.06532	1.4
97.10179	0.7
99.04452	1.6
101.06019	2.8
105.04562	0.2
105.07029	4.7
107.04937	0.8
107.08590	1.2
109.02875	5.7
109.06516	1.3
109.10091	0.3
111.04437	2.9
113.05279	0.2
113.05991	1.2
115.03936	1.2
115.05406	0.3
115.44411	0.2
116.51352	0.2
117.07030	1.2
118.06545	1.8
119.04957	0.3
119.08572	1.7
121.06514	1.5
121.10145	2.8
123.08060	2.7
125.05968	0.6
125.09633	3.1
127.03918	3.3
128.06178	0.3
129.05487	1.4
129.07007	3.8
131.04898	0.4
131.08536	1.4
133.06488	3.3
133.10141	1.3
133.11006	0.2
135.08063	1.4
137.05978	5.4
137.09602	0.5
139.07527	0.6
139.11174	0.3
141.06967	0.3
143.08603	1.3
145.05112	0.2
145.06465	0.3
145.10149	1.2
146.06006	100.0
147.06363	2.0
147.08078	1.3
147.11685	2.3
149.05986	0.4
149.09608	0.4
151.07544	1.3
152.75693	0.2
154.62099	0.2
155.07036	1.3
155.08537	0.6
157.06474	0.6
157.10153	2.4
159.11755	0.3
160.07579	0.9
161.09610	0.7
161.13222	1.3
163.07469	0.3
166.07719	0.2
167.07156	0.2
169.10172	0.6
170.06010	0.7
171.08058	0.4
171.11685	7.1
173.09596	1.9
173.13190	0.8
175.11185	2.4
180.08134	0.3
181.10155	1.0
184.07553	0.3
187.11131	0.9
188.07098	1.3
189.09175	0.3
189.12747	5.5
189.14473	0.3
192.06554	42.5
193.06915	0.8
193.12236	2.6
199.11185	2.8
201.12607	0.2
205.12222	0.4
207.10129	0.5
207.13824	2.9
208.07625	0.4
213.09134	0.3
215.10640	0.7
217.12238	11.3
218.12605	0.3
227.72383	0.3
229.12286	0.4
231.10190	0.3
233.11685	1.1
234.07658	1.2
235.13283	10.3
236.13570	0.5
245.11781	0.4
245.59778	0.2
247.13216	0.4
251.12762	0.6
253.14339	16.3
254.08084	1.0
254.14706	0.4
258.07584	0.6
263.12811	1.0
271.15430	2.9
273.14844	0.3
277.14282	0.6
279.13837	0.3
281.13782	0.7
282.07651	3.2
295.15366	1.1
297.14859	0.4
300.08600	0.8
301.14255	0.3
307.13141	0.3
313.16495	0.9
315.15784	0.5
319.15356	0.4
324.12546	0.4
325.13959	1.1
333.16855	0.5
337.16290	0.3
343.15295	2.1
355.17258	0.6
361.16476	3.3
379.17526	7.8
380.18201	0.3
383.82919	0.2
397.18582	8.9
398.18860	0.4
415.19626	3.8
433.20547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05501	0.8
57.03437	1.2
61.02932	2.7
64.82434	0.3
67.05508	4.2
69.03440	2.1
69.07058	0.7
70.73452	0.5
73.02924	1.9
79.05515	0.7
81.03416	2.6
81.07055	1.8
83.08614	0.8
85.02915	3.9
87.04501	0.4
91.03957	1.7
91.05466	2.1
93.07063	1.1
94.13683	0.3
95.04966	0.5
95.08625	1.0
97.02883	3.0
97.06548	1.3
99.04449	0.7
101.02396	1.4
105.07045	0.8
107.08609	0.4
109.02914	0.6
109.10166	4.1
111.08121	0.4
115.03939	0.8
119.08599	1.1
123.08156	0.4
127.03945	1.0
129.06990	0.5
133.10153	0.5
137.05997	0.3
145.04982	0.5
147.07945	0.3
147.11690	0.3
149.09705	0.4
150.82040	0.3
152.29369	0.4
155.10674	0.7
157.10083	0.5
169.75337	0.3
173.11761	1.1
175.11215	0.4
185.04379	0.5
193.12227	0.8
195.10011	0.5
203.05435	0.4
211.13322	0.8
229.14490	0.8
233.11887	0.5
243.08417	1.8
251.12578	0.8
375.25174	0.7
393.26154	2.3
413.17844	5.5
435.27631	0.3
461.33026	0.5
469.20444	5.5
537.30267	0.4
555.31354	2.5
597.32513	7.1
599.91669	0.3
641.31433	100.0
642.31708	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	641.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
55.05479	0.8
57.03405	0.4
61.02892	0.3
67.05511	1.6
69.03393	0.9
69.07068	2.2
69.23826	1.5
71.04969	0.4
71.08620	0.3
73.02902	0.5
73.31151	0.3
79.05452	0.8
80.82319	0.3
81.03399	0.7
81.06638	0.3
81.07053	2.7
83.08590	0.6
85.02911	1.9
85.06490	0.3
91.05450	0.9
93.06995	0.8
95.01298	0.3
95.04945	0.6
95.08598	2.2
97.02863	0.6
97.06511	0.5
97.10167	0.4
99.00821	0.6
99.04440	0.7
104.70971	0.3
105.07014	0.5
107.08570	0.4
109.02855	0.6
109.06508	0.4
109.10175	1.4
115.03874	0.6
117.06985	0.3
119.08553	0.6
121.10160	0.3
123.11629	0.5
127.03876	0.6
130.30722	0.3
131.08557	0.3
133.10114	0.5
135.11658	0.3
135.56519	0.3
137.05959	0.5
145.04887	0.4
149.09599	0.5
150.82588	0.3
153.05437	0.3
155.07042	0.3
165.09090	1.2
167.07112	0.4
177.05469	0.5
181.04962	2.2
183.06509	0.4
186.05522	0.3
189.09100	1.3
193.08597	0.3
195.06532	2.7
195.09830	0.3
203.05244	0.7
204.06569	0.4
209.08124	1.4
214.17978	0.3
215.10727	0.3
221.11528	0.4
223.09596	2.0
231.69855	0.2
233.11745	0.6
237.11154	2.4
245.06361	3.4
249.11166	1.7
251.12653	0.8
263.12589	0.3
289.05304	2.9
291.15622	0.5
307.18954	0.6
314.09277	0.9
315.09543	1.1
342.08694	0.4
343.09235	0.3
375.25067	41.3
376.25519	1.4
392.12424	0.3
393.12717	0.9
393.26102	13.4
394.26471	0.5
413.17844	0.5
414.17575	0.3
435.26459	0.4
443.31610	2.3
459.83136	0.3
461.32660	9.0
470.53006	0.3
479.33701	5.1
537.29956	0.6
555.31396	5.7
597.32452	17.8
598.33008	1.0
641.31372	100.0
642.31763	5.5
659.21198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3898
Annotation	Cilistol j
Peak:m/z	Relative Intensity
53.03943	1.8
55.01878	1.9
55.05518	10.4
55.35703	1.1
57.03443	1.8
57.07064	3.0
57.14780	1.0
65.03944	1.0
67.05514	13.8
68.05871	0.9
69.03431	7.7
69.07072	26.3
70.07400	1.4
71.04984	2.1
72.96479	0.9
79.05482	6.1
81.03425	4.4
81.07059	33.4
83.04984	1.8
83.08626	7.6
85.02902	8.3
87.04458	1.3
88.74532	1.0
91.05466	5.0
93.07074	4.8
95.04951	2.0
95.08611	29.4
96.08140	1.1
96.08958	1.2
97.02874	3.8
97.06533	4.1
97.10190	4.0
98.09593	0.9
99.00814	6.8
99.04464	4.2
105.07063	5.6
107.04936	2.5
107.08588	3.4
109.02885	3.6
109.06535	2.2
109.10165	18.8
110.09396	1.1
110.10511	1.3
111.08080	1.2
111.11713	2.3
113.02415	2.3
115.03919	1.6
117.01864	1.3
119.08578	4.5
121.06513	2.3
121.10143	2.7
123.04448	1.7
123.08105	1.8
123.11716	8.2
125.05991	1.5
127.03938	3.4
131.08560	1.8
133.06451	1.3
133.10153	3.7
135.04408	3.1
135.11702	1.6
137.05952	2.6
137.09683	1.4
137.13235	5.5
139.07526	1.8
145.04916	2.1
145.10127	2.1
147.08066	1.4
147.11627	2.3
149.02338	1.7
149.06007	2.5
149.09621	1.3
151.07607	5.4
151.11188	1.7
151.14870	1.2
153.05476	2.9
153.12740	1.5
155.07103	1.8
159.11699	1.3
159.19196	1.0
161.05942	1.7
161.09583	2.2
163.03908	2.0
163.07607	2.4
163.11143	1.7
165.09113	6.3
167.07027	2.2
167.14339	1.9
169.10098	1.6
171.08061	1.7
173.09561	1.4
175.07599	4.2
177.05486	5.5
177.09084	1.8
179.10681	1.7
181.04970	15.9
182.05254	1.4
183.06522	4.6
186.28000	1.1
189.09099	15.9
191.07089	2.3
191.10625	3.0
193.12238	1.9
194.12804	1.2
195.06541	31.4
203.10709	3.2
205.08575	2.1
205.12248	2.4
207.06464	2.7
209.08098	16.8
214.18004	2.1
221.08154	1.4
223.09634	21.3
231.10107	1.1
233.11641	1.6
235.09689	2.9
237.11215	24.2
238.11368	1.3
249.11237	17.1
251.12814	7.6
263.12817	5.2
265.14420	2.8
277.14349	2.3
279.15955	2.0
291.15927	2.7
293.17453	4.1
303.15942	1.4
305.17477	2.7
307.19040	6.7
317.17462	1.1
319.19046	3.3
326.92786	1.1
347.22198	2.0
361.23813	1.4
375.25272	5.4
383.12491	2.5
387.25064	1.5
388.21088	1.5
393.26007	4.6
443.31598	100.0
444.31863	7.1
453.20331	1.3
461.32660	88.0
462.33017	7.2
479.33701	33.6
480.33881	2.7
515.31549	1.7
537.30164	2.0
555.31537	7.2
579.30865	3.3
597.15759	5.5
597.32635	12.0
598.15765	1.2
598.32654	1.7
623.29309	1.7
623.38470	2.5
633.98566	1.2
641.14404	19.4
641.30951	61.8
642.15094	2.4
642.31348	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	642.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.07080	6.3
58.06589	2.2
60.08155	1.1
63.59790	0.8
65.03935	1.1
67.05531	1.2
69.62740	1.3
70.06593	15.0
71.08620	3.0
81.03405	1.0
81.07056	1.8
86.09708	3.2
88.07627	20.6
95.08631	1.1
98.23414	1.0
102.09182	15.3
104.10744	7.6
124.93747	1.3
131.04933	1.0
143.08510	1.0
146.98244	1.4
149.02342	37.9
149.94484	1.0
175.03937	1.3
184.07257	1.0
193.04967	46.6
198.97488	1.1
225.05429	1.5
268.87726	0.9
269.04419	1.7
284.29449	40.2
286.99036	4.5
287.99283	0.9
297.03946	3.2
305.98199	6.6
313.07120	1.5
337.27289	1.3
341.06543	10.0
359.07559	5.5
385.09152	47.9
386.09433	2.1
448.51544	1.1
522.25464	2.5
542.32080	1.5
542.49298	1.0
642.27039	5.7
642.36316	100.0
643.36566	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95605	1.2
53.03936	3.9
55.01640	2.1
55.01874	11.6
55.05254	2.7
55.05512	37.8
57.03442	18.4
57.07076	2.3
59.04993	6.2
60.50295	1.3
65.57481	1.4
67.05508	71.3
69.03424	5.7
69.07072	11.1
70.56996	1.4
71.01350	3.1
71.04988	8.1
73.02905	4.4
79.05501	33.0
80.21823	1.4
81.03413	17.5
81.06622	2.7
81.07060	33.9
83.01326	7.7
83.04978	15.4
83.08626	22.2
85.02911	13.2
85.06541	3.5
87.04466	7.2
91.05479	25.0
93.07047	36.7
95.04981	14.1
95.08616	15.8
97.02887	4.9
97.06516	8.4
97.10164	13.7
99.04475	2.7
105.07043	16.7
107.04952	11.3
107.08595	26.0
109.06485	8.0
109.10162	43.8
111.04432	3.2
111.08082	4.9
112.50175	1.6
117.07036	8.0
119.08594	16.0
121.06502	5.3
121.10134	13.5
123.08070	7.7
125.05994	2.3
125.09632	18.4
129.05510	2.0
129.07066	2.3
130.07782	1.6
131.08560	5.9
133.10115	4.5
135.08051	2.9
135.11697	16.5
137.09605	3.9
143.10680	2.6
145.10129	20.3
147.08040	3.6
147.11687	3.5
149.09601	3.0
153.12761	6.6
155.08633	2.2
155.10667	3.6
163.11191	33.2
169.10115	1.6
173.09575	3.5
173.11757	16.1
181.12260	5.8
189.11188	1.7
191.10634	7.3
199.13309	7.2
209.11711	17.6
227.12836	10.8
229.14346	48.3
267.15897	1.7
283.15405	100.0
284.15793	3.0
301.16440	10.9
399.23975	13.2
407.23990	3.0
425.25220	3.1
437.25244	25.7
509.27573	5.5
527.37280	2.1
530.73932	1.7
607.34399	7.2
625.44281	2.7
642.44751	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	642.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01882	1.6
55.05510	10.1
56.05028	1.4
57.03437	2.2
57.07079	11.7
60.74019	0.9
67.05510	9.0
68.05065	1.2
69.03437	4.3
69.07067	3.5
70.06593	7.1
71.04995	85.2
71.08620	6.9
79.05491	10.1
79.59970	0.8
81.03426	2.7
81.07054	8.3
83.08620	4.6
84.08149	3.5
85.10194	2.6
86.06083	3.8
88.04014	2.9
91.05463	4.4
93.07039	5.3
94.50764	0.9
95.04980	2.0
95.08609	6.6
96.08132	9.0
97.06525	1.3
97.10144	4.3
98.06077	3.6
99.08112	1.1
105.04523	1.1
105.07050	2.1
105.28330	0.9
106.06554	1.2
107.04983	1.0
107.08628	5.8
109.06548	1.1
109.10170	3.2
109.21937	0.8
111.08083	2.1
112.07572	4.6
117.07008	1.7
119.08601	3.0
123.08070	1.4
124.07609	3.8
125.09664	3.1
131.08659	1.7
133.10135	2.1
135.08040	1.6
135.11649	0.9
142.08662	3.1
142.69695	0.9
145.10117	1.6
147.11710	1.0
153.09093	1.1
158.08119	5.2
159.11751	1.6
189.11241	1.2
227.12808	2.1
230.15891	1.0
276.15942	0.9
283.24280	0.9
292.30530	0.9
313.27335	4.9
533.91748	0.9
543.36652	1.4
546.22211	0.9
564.94678	1.0
624.43872	1.3
642.45758	100.0
643.46106	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	642.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.3
57.03436	5.1
57.07080	23.1
60.17163	1.3
62.97289	1.4
65.03959	1.3
66.72467	1.1
66.92892	1.5
67.05511	28.1
69.07077	9.1
69.23119	2.8
69.23520	5.6
71.04998	2.1
71.08636	21.3
72.60582	1.1
79.05499	17.4
81.03416	1.8
81.07056	30.7
83.04980	5.8
83.08610	8.3
85.06536	1.6
85.10197	8.3
91.05479	12.7
93.07047	17.4
95.04983	4.9
95.08612	21.7
97.06525	4.2
97.10171	4.4
98.22661	1.7
99.08084	3.9
105.04535	1.8
105.07035	5.0
107.08580	6.9
109.10130	7.8
111.08106	2.0
117.07028	3.2
119.08581	2.9
121.10154	3.7
123.11708	2.3
131.08589	4.8
133.10141	3.3
135.11685	2.7
139.11185	2.0
145.10117	1.4
149.13287	4.7
151.11194	5.3
159.11734	4.1
161.13287	2.4
163.11237	2.7
177.12767	2.2
195.13841	3.0
227.12782	1.7
239.23782	2.5
251.16573	1.9
259.20441	1.7
269.17493	12.8
270.09271	1.5
277.21643	6.2
313.27362	26.1
314.27859	2.7
351.25290	9.7
369.26541	2.0
392.66959	1.4
467.37305	1.4
499.89020	1.7
507.40451	100.0
508.40845	9.0
525.32861	1.5
589.47766	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	643.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.6
68.99768	2.6
70.06583	3.3
71.02871	0.6
72.08145	0.9
77.03902	0.7
78.70065	0.6
81.24499	0.6
84.08113	1.2
86.09693	1.2
90.24571	0.6
91.05462	2.0
95.04976	1.2
97.02900	1.1
103.05463	0.7
105.07048	1.0
107.04926	0.7
115.05445	1.1
119.04942	6.2
123.04429	50.0
125.02358	1.1
129.03442	0.6
129.10271	1.2
131.04939	1.6
133.06473	1.7
135.04391	2.3
137.02313	1.3
137.05957	0.9
139.03894	1.0
141.01823	3.0
143.04910	2.4
145.06502	0.8
147.04411	38.1
149.06007	1.5
153.01793	2.2
153.05388	0.9
155.04887	1.4
157.06529	0.7
159.04414	2.4
161.05992	9.5
163.03896	5.3
165.05473	6.9
169.06483	1.1
171.04385	3.6
173.05989	2.2
175.03903	3.5
177.05473	9.0
179.04900	1.2
179.07005	1.0
183.04402	3.8
185.05972	2.0
187.03896	2.9
189.05464	55.2
190.05870	0.8
193.05025	1.0
197.05937	2.1
199.03896	10.5
200.04684	0.7
201.05482	6.7
203.03387	99.5
204.03712	1.8
205.04964	2.9
207.04417	1.7
207.06369	1.3
211.03889	10.4
213.05450	6.8
215.03354	1.7
217.04955	12.8
218.33990	0.7
221.04347	1.1
225.05444	3.2
227.03404	9.1
227.06877	1.1
229.04939	8.3
230.05687	1.7
231.06508	1.9
233.04437	11.1
235.03851	2.3
237.05429	2.2
239.03395	9.7
241.04921	2.4
245.04446	24.8
247.05986	1.0
253.04939	20.7
255.02963	2.9
255.06450	4.1
257.04443	64.2
258.05057	4.0
259.05975	5.2
267.06467	0.8
269.04391	3.7
271.05911	3.6
273.03909	2.6
275.05496	3.8
279.06525	0.9
281.04437	31.7
282.04922	1.4
283.05960	3.4
287.05426	6.2
295.06107	1.0
299.05478	25.3
300.05823	1.5
301.06924	1.1
308.19025	0.8
311.05344	3.4
317.07111	1.0
323.05878	0.8
329.06946	0.8
345.07367	1.2
369.07971	0.6
387.08691	2.5
391.08115	10.7
392.08234	1.2
405.09708	3.1
406.09827	0.8
409.09177	100.0
410.09714	4.2
415.08090	4.6
433.09171	20.3
434.09338	1.4
444.26376	0.7
451.10297	15.1
491.11954	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	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
55.01878	3.1
55.05513	1.3
57.03428	1.0
59.73606	0.8
65.03938	7.1
67.05516	6.6
69.03429	2.8
69.07067	3.7
71.01349	1.6
74.40211	0.9
77.03920	1.3
78.04731	1.8
79.05496	7.2
81.03411	4.9
81.07046	6.9
82.04212	2.6
85.02911	5.4
91.05474	6.4
93.03414	2.5
93.07040	4.0
94.06582	3.1
95.04958	7.5
95.07362	2.1
95.08605	5.7
96.08138	3.2
97.02908	1.5
97.06534	3.8
102.04656	1.1
103.05471	15.8
105.03391	3.1
105.04549	2.3
105.07022	7.8
106.04209	1.2
107.04943	8.3
107.08611	2.8
108.04472	1.4
108.08127	3.5
109.06528	3.6
109.10163	3.4
110.03667	3.0
110.09669	3.3
111.04449	2.6
115.05492	4.7
116.04985	1.7
117.07046	4.3
118.04154	4.6
119.04962	1.6
119.08576	2.5
120.04473	1.5
120.08130	3.8
121.06496	2.5
121.10118	1.2
122.03633	1.5
122.06032	2.0
123.04431	6.2
123.08047	4.6
123.11804	1.7
124.05208	1.7
124.07619	2.3
125.05999	3.6
129.06999	1.7
130.04163	1.1
131.04921	16.7
131.08562	1.9
133.02878	5.2
133.06482	8.8
133.10143	1.9
134.03539	0.9
134.06012	1.9
135.04436	1.9
135.08066	3.6
135.11736	1.1
136.07562	4.9
137.05965	9.0
138.03090	2.3
138.09151	5.5
139.11115	1.0
142.02472	1.0
144.04474	2.7
144.05603	1.9
145.06462	5.0
145.10156	1.7
146.03555	1.1
146.05997	2.0
147.04456	2.4
147.08063	2.1
147.11693	1.1
148.05170	9.8
148.07594	1.1
149.06009	2.9
149.09535	1.1
151.03928	4.3
151.07547	45.1
151.11113	1.0
152.04710	1.8
152.07005	1.0
153.05447	9.6
155.05949	1.1
155.07037	3.0
157.06506	1.6
159.04425	1.5
159.08070	2.3
160.03970	1.8
160.05190	1.1
161.05986	9.2
162.05507	2.0
163.07550	21.3
163.11261	1.4
165.05493	6.2
165.09116	1.7
166.08597	4.4
167.07050	52.4
168.07518	0.9
171.06619	5.9
172.03926	16.5
173.06017	5.4
175.07567	5.8
176.04684	2.3
177.05522	2.3
177.09088	2.9
178.06323	1.2
179.07018	1.6
180.07878	2.4
181.04956	100.0
182.05388	2.9
183.06534	1.4
187.07565	4.0
189.09113	1.1
190.04938	5.4
191.07033	85.6
191.10651	20.6
192.07364	2.1
193.04942	2.9
193.08617	3.1
195.06557	4.2
199.12273	0.9
201.05493	2.1
203.07051	2.8
204.06558	30.4
205.08641	4.4
205.12238	3.0
207.06528	5.9
207.08208	1.2
207.10110	1.7
208.07335	3.8
209.08107	3.6
211.08617	1.5
212.09433	1.4
217.08583	4.3
219.10193	5.7
221.08081	1.0
225.07584	14.3
225.10133	2.9
226.08452	1.3
227.11855	5.3
231.06584	1.4
233.08093	6.7
235.07550	1.7
235.09669	6.5
239.11974	1.7
245.08073	1.9
245.22697	1.1
251.11880	1.3
253.09737	1.9
263.06796	1.4
263.09229	17.6
264.09357	1.0
267.10272	3.5
269.12863	4.6
269.53622	1.0
271.10791	3.4
271.16840	1.8
273.12372	1.7
279.10577	1.4
283.10669	2.8
285.12119	2.0
286.13376	1.0
287.13998	7.0
289.18051	4.0
297.12039	2.3
299.13956	2.5
323.10168	2.7
325.11676	6.6
327.12906	0.9
328.10809	1.2
329.13892	1.8
337.10864	1.2
339.12411	2.2
342.12350	2.9
343.12936	2.1
352.14484	1.0
355.12534	1.6
356.13870	2.0
357.14053	12.0
358.15356	3.1
359.15176	1.4
367.11789	2.3
371.15250	1.4
381.13477	1.1
382.11948	2.0
384.13376	2.6
385.12796	11.5
387.14307	2.6
388.20990	1.0
398.15057	5.8
399.15622	12.0
404.16022	2.4
414.18286	1.5
416.16058	6.2
417.15466	11.4
422.17264	1.1
427.32169	14.3
428.15958	1.2
430.18008	1.3
440.16129	1.6
446.17151	4.9
458.17114	12.5
462.32962	1.7
485.41211	1.0
490.19727	4.3
567.25586	1.4
569.23541	2.7
593.23657	2.9
599.29187	2.2
611.25037	33.4
612.25378	2.0
626.25543	1.4
643.28973	12.9
644.30511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03444	1.9
67.05512	5.8
69.07075	1.9
71.05013	0.8
76.80649	0.7
79.05499	4.7
80.05836	0.9
80.31425	0.6
81.03444	3.0
81.07072	4.0
83.04944	0.8
83.08614	1.9
85.34291	0.8
91.05485	4.3
93.07072	3.9
95.04979	1.9
95.08621	3.0
97.06542	1.1
101.31174	0.8
102.20464	0.7
105.07056	2.8
107.04990	0.8
107.08624	3.1
109.10146	3.6
117.07065	1.7
119.08595	2.4
121.10181	0.9
131.08588	2.0
133.10168	2.1
135.11688	1.8
145.10165	1.8
147.11713	1.7
151.11214	1.2
157.10153	0.9
163.11229	2.0
227.12930	2.2
228.13400	1.1
229.14363	1.2
230.14818	0.8
253.14397	2.0
267.15903	2.8
283.15424	1.8
291.19617	1.1
293.21075	1.0
397.12982	1.3
398.14270	1.1
409.13159	0.8
410.13913	2.7
411.14398	5.7
412.15268	4.5
413.16162	2.5
424.15582	2.5
425.16324	10.3
426.16949	7.7
427.17401	1.8
427.23386	0.8
438.13089	2.0
439.13507	11.5
440.19000	4.7
441.19302	36.4
442.19727	2.9
452.14832	2.9
453.15277	14.8
454.16446	3.5
466.16714	1.5
467.17212	23.9
468.17871	15.7
469.18900	12.8
480.17780	1.3
481.14615	14.1
482.15741	4.0
485.18982	0.8
495.16840	2.7
496.17203	12.4
497.17761	4.1
509.18454	2.4
512.20880	1.5
514.22241	1.8
523.19922	1.0
527.23035	1.9
528.37726	1.3
555.22369	24.8
556.22870	2.3
583.21924	100.0
584.22205	13.6
587.24841	2.2
587.69153	0.9
611.21295	2.0
615.24347	11.4
616.25293	1.5
625.44647	0.9
643.23993	72.2
644.24036	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81939	0.8
65.03953	1.3
67.05512	2.4
69.07059	1.6
69.16684	2.9
69.17094	2.7
79.05492	2.4
80.04990	1.1
81.03417	1.8
81.07063	2.1
85.02905	1.5
89.01296	0.8
90.39780	0.9
91.05483	2.0
92.05035	0.9
93.07047	2.7
94.06584	4.4
95.04954	1.6
95.07334	1.6
96.08150	4.8
97.02897	1.0
97.06522	2.1
98.22712	2.2
105.07088	1.1
106.06621	0.9
108.04476	2.2
108.08109	8.6
109.10133	1.5
110.09671	6.0
116.04971	2.3
118.06553	1.1
119.08620	1.2
120.04466	2.9
120.08065	4.4
121.10125	0.8
122.06030	3.3
124.07636	5.9
134.06015	2.8
136.07591	7.8
138.09132	7.2
144.04390	4.4
146.06046	5.1
147.11690	1.2
148.07570	3.5
152.07071	1.8
154.52383	1.0
158.58299	0.8
160.03969	2.0
162.05525	4.0
164.07106	2.1
166.08636	9.8
167.07178	1.1
172.03937	21.5
172.07568	1.3
174.05521	1.8
176.07143	2.8
190.05006	15.9
191.07100	1.1
197.10791	1.8
199.12332	2.0
204.06558	34.5
205.06801	1.0
209.10707	1.0
210.09438	1.1
211.08704	1.8
213.10381	1.1
224.09470	1.6
225.10197	8.4
226.10921	1.4
227.11769	10.9
236.09352	1.1
237.10240	3.2
238.11041	1.6
239.11778	2.6
241.13530	1.0
249.10298	1.1
250.11150	1.0
251.11893	2.7
253.09758	4.9
255.11263	1.3
263.08170	1.2
264.08890	1.8
265.09973	1.9
266.10251	0.9
267.11334	2.6
269.12878	16.3
271.10776	7.1
273.12338	4.2
277.09729	1.0
279.11325	3.4
283.10764	5.2
284.11520	4.2
285.12378	5.0
287.13919	16.0
295.10757	1.9
297.12332	6.7
299.13913	4.1
302.13086	1.3
307.10779	1.1
312.15222	1.1
313.11893	1.2
314.12863	1.5
315.13873	1.4
316.10855	1.2
316.14407	1.8
321.12433	1.4
323.10291	6.0
325.11786	23.1
326.12500	1.7
326.16370	1.8
327.13632	2.5
328.10840	2.7
328.14429	3.0
330.15836	2.0
339.13696	1.3
341.11713	1.5
342.12222	5.0
343.12878	5.8
344.13785	1.7
356.13791	4.5
357.14432	11.4
358.15387	2.8
370.15530	4.2
371.16269	1.3
372.17239	1.5
378.18140	1.4
382.11859	4.1
384.13452	3.1
385.13919	2.6
386.14914	2.4
386.18936	2.2
390.18112	2.1
398.14951	15.2
399.15781	22.5
400.16422	2.5
404.15726	4.6
412.16534	1.7
414.18079	3.0
416.16031	17.3
422.17059	1.9
428.16104	2.7
430.17899	2.9
440.16080	5.6
446.17145	10.8
458.17096	29.9
459.17294	1.4
460.19089	1.5
490.19629	7.9
539.26495	1.4
565.24292	2.7
567.25720	2.4
569.24255	6.6
583.25439	1.5
593.23969	9.6
599.33179	2.2
611.25006	100.0
612.25116	8.3
642.45941	1.9
643.32385	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61501	0.3
53.03947	0.6
55.01857	0.8
55.13696	0.3
60.49598	0.3
67.05501	0.8
69.07047	0.5
73.34888	0.4
77.03905	0.4
79.05495	2.7
81.07043	1.9
90.10675	0.3
91.05476	2.5
92.02634	0.5
93.07044	0.4
94.04189	4.0
95.04980	1.7
95.08627	0.5
98.08118	0.4
103.05467	1.9
105.03387	0.9
105.04484	0.6
105.06342	0.7
105.07023	10.7
107.04942	1.2
107.08566	0.4
109.06506	2.4
115.05453	3.6
117.07014	0.4
118.04118	0.6
119.08566	0.6
121.06445	1.0
122.03639	8.1
125.05923	0.7
128.06239	1.8
129.06923	0.4
131.04912	1.5
133.05545	0.6
133.06487	8.0
134.58482	0.4
135.04414	21.0
136.04753	0.5
137.05974	96.4
138.06273	2.2
139.05405	0.5
141.06927	0.9
143.04973	0.4
143.06030	1.0
145.06500	0.7
146.03629	3.9
149.05978	0.8
151.07605	0.6
156.05716	0.9
159.08224	0.4
161.05975	64.4
162.06358	2.0
163.07541	0.5
165.06976	0.4
167.04924	1.1
167.07043	1.3
171.08015	1.8
175.07556	0.8
181.06548	0.5
184.05186	3.6
187.07565	1.7
189.06892	0.7
191.07027	0.6
191.08508	1.8
192.09404	1.0
199.07533	20.0
200.07880	0.6
202.07768	9.0
203.08540	17.8
204.09177	1.4
205.06511	1.5
205.10098	0.5
206.07291	0.6
207.08151	0.5
213.06905	0.5
215.08556	1.0
216.64166	0.4
217.06325	0.4
217.10223	0.4
218.07275	0.6
219.08037	5.0
220.08818	6.0
221.09613	1.2
230.07326	1.9
231.08038	30.4
232.08794	6.7
232.11014	0.7
233.05956	0.9
233.09612	1.3
234.06741	0.7
235.11188	1.7
237.09062	1.0
241.06621	0.4
242.07254	0.5
243.08006	0.5
245.09610	0.8
247.07642	4.0
248.08316	14.7
249.08885	1.8
258.06772	1.8
259.07538	25.2
260.08301	20.2
261.08932	2.0
262.09811	1.5
263.10641	15.1
264.11142	0.7
265.08582	0.9
273.09097	0.8
275.07004	3.6
275.10175	0.7
276.07806	12.2
277.08517	3.8
280.10776	0.8
289.08459	0.7
290.09363	0.8
291.10141	100.0
292.10690	8.5
293.08096	1.9
295.09976	0.7
295.13287	2.8
307.09744	0.4
308.10397	2.6
321.11307	0.8
323.12766	78.9
323.68872	0.4
324.13074	4.5
339.28717	0.6
353.13821	0.8
443.14987	1.5
475.17636	0.8
644.43353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.7
61.02925	0.5
67.05496	0.6
69.03426	1.8
79.05495	1.5
81.03406	0.5
83.01379	0.4
85.02902	6.8
91.03934	0.3
91.05482	1.2
95.04986	0.3
95.08613	0.6
97.02899	2.2
99.04456	0.3
103.05466	1.5
105.04508	0.2
105.07028	5.3
107.04939	0.4
107.08582	0.4
109.02868	0.4
109.06549	0.3
109.10144	1.2
117.07007	0.5
119.08575	1.3
120.05732	0.7
121.06525	1.2
122.07290	0.5
123.08052	1.0
127.03933	1.4
133.06503	0.4
135.04398	2.8
135.08025	2.0
137.06013	0.4
137.09595	2.0
139.07579	0.3
145.04922	1.5
145.95137	0.3
147.08043	1.8
150.06755	45.2
151.07556	5.9
163.06041	0.4
165.09108	100.0
166.09450	1.7
167.07025	0.4
180.08691	0.3
189.09056	0.5
191.07037	0.4
213.45131	0.2
217.08504	0.4
231.10196	0.6
239.10500	0.3
271.13260	1.1
292.73611	0.2
297.14838	2.0
303.15891	67.9
304.16168	1.5
327.15903	1.4
339.15799	0.5
369.17004	5.6
370.17236	0.3
393.16800	1.1
403.93262	0.2
409.99335	0.3
411.17941	1.2
429.18930	1.9
447.20163	0.5
589.86060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01868	1.0
55.05500	2.7
57.03429	2.8
57.07069	2.6
61.02929	2.8
65.03931	1.4
67.05495	2.7
69.03432	8.8
69.07051	1.4
70.06590	4.6
71.04984	2.1
72.08144	2.7
73.02914	7.9
74.11378	0.7
77.03922	1.4
79.05493	6.6
81.03410	1.9
81.07048	8.7
84.04501	1.1
84.08119	1.2
85.02901	16.8
85.06049	1.6
85.06541	29.5
86.09702	2.8
87.04469	2.8
91.05477	17.5
93.07043	91.9
94.07362	2.0
95.04967	5.0
95.08613	4.7
97.02894	9.7
99.04461	1.0
105.04509	2.6
105.07020	4.3
107.08591	53.1
108.08926	1.7
109.02868	1.1
109.06519	2.5
109.10146	2.3
115.03922	8.1
119.06028	0.8
119.08571	3.0
120.08090	2.3
120.09388	1.0
122.52574	0.8
123.04427	1.1
127.03915	5.6
129.10258	1.2
129.93584	0.7
133.04950	8.5
133.10114	0.9
135.11690	100.0
136.07581	2.8
136.12009	3.1
137.05939	1.0
137.13242	5.8
145.04933	7.5
145.10075	0.9
153.12756	1.4
163.06030	3.0
173.08128	1.1
177.05527	1.1
198.44997	0.7
199.09595	0.7
218.08882	0.8
241.07089	1.2
249.12364	1.2
259.08258	4.0
267.15802	1.9
277.09116	1.1
295.10236	6.9
299.05606	0.9
300.05847	1.0
320.99036	0.9
325.11301	0.9
640.53802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01871	0.8
55.05513	4.5
57.03440	4.3
57.07073	0.4
61.02634	0.4
61.02930	6.4
65.03948	0.6
67.05504	6.5
69.03435	2.5
69.07070	1.9
69.33611	1.3
71.01340	0.3
71.05006	1.5
73.02917	2.2
79.05042	0.4
79.05497	7.3
81.03419	25.8
81.07059	7.7
81.07440	0.2
83.04984	5.2
83.08620	9.2
85.02906	14.8
85.06539	0.7
85.27511	0.3
87.04478	0.4
91.03962	4.6
91.05479	8.1
93.07047	4.6
94.50700	0.3
95.04973	9.4
95.08614	2.7
97.02893	4.4
97.06509	1.3
97.10145	1.2
99.04446	0.7
99.08054	0.4
105.07029	6.9
107.04941	2.2
107.08587	2.7
109.02894	0.5
109.06542	1.8
109.10151	0.9
111.04433	1.0
111.08072	4.2
113.06025	0.9
115.03927	0.6
115.05457	0.7
119.08578	5.5
121.06536	0.6
121.10131	3.2
123.08067	1.0
123.11703	0.4
125.09625	0.5
127.03907	2.0
129.07008	3.6
131.08568	4.5
133.04953	0.4
133.06465	1.0
133.10109	4.2
137.05962	0.6
137.09651	0.7
142.07787	1.0
145.04932	2.3
145.10075	0.7
147.08043	1.2
147.11674	5.8
149.09616	2.1
151.11211	0.3
157.10118	5.4
163.06035	3.4
163.11159	0.4
165.12769	1.4
167.07037	0.6
175.11180	6.1
185.15048	0.3
193.12245	22.0
194.12627	0.6
211.13300	15.7
212.13676	0.5
217.23006	0.3
223.42488	0.3
229.14374	0.6
235.59566	0.3
267.15915	6.3
285.16962	100.0
286.17358	4.4
309.16757	0.4
429.21103	1.7
447.22116	3.3
644.26440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01878	0.6
55.05514	5.6
57.03429	3.6
59.05005	0.6
61.02925	7.9
67.05505	5.8
68.40874	0.4
69.03423	2.7
69.07066	1.9
69.99834	1.2
70.06596	0.5
71.04992	2.0
73.02915	2.7
77.03894	0.4
77.68217	0.4
78.84079	0.4
79.05485	7.8
81.03416	34.0
81.07054	10.1
82.03767	0.7
83.04979	5.9
83.08617	12.5
85.02901	14.9
85.06546	0.7
86.03208	0.4
91.03959	6.9
91.05481	9.7
93.07040	5.9
95.04965	12.7
95.08607	3.2
97.02886	6.2
97.06522	2.4
97.10165	1.5
97.75043	0.4
98.22686	0.4
99.04453	0.7
99.08090	0.5
105.07024	7.2
107.04942	2.5
107.08595	2.4
109.02892	0.5
109.06512	2.1
109.10146	1.0
111.04420	1.7
111.08073	5.8
113.05969	0.9
115.03940	0.5
117.06971	0.6
119.04941	0.5
119.08574	6.2
121.06506	1.1
121.10127	3.9
122.10494	0.5
123.08020	1.0
123.11720	0.5
125.09589	0.7
127.03917	2.5
129.07010	4.2
131.07790	0.5
131.08591	5.0
133.06494	1.1
133.10132	4.1
135.08017	0.4
137.06012	0.4
137.09613	0.7
142.07768	1.3
145.04959	3.0
145.10136	0.6
147.04381	0.7
147.07021	0.4
147.08075	1.5
147.11690	7.7
149.09637	2.2
157.10127	7.5
158.10452	0.5
163.06021	4.4
163.11189	0.5
165.12744	1.8
167.07056	0.5
175.11211	7.9
182.08104	0.4
187.51393	0.4
193.12234	34.4
194.12561	1.0
211.13287	26.7
212.13651	1.1
229.14349	1.1
267.15897	16.1
268.16147	0.6
285.16953	100.0
286.17355	4.7
303.17966	1.8
309.17047	0.6
411.19699	0.5
429.21027	1.7
447.22058	0.6
453.22482	0.4
601.28357	1.0
619.91565	0.6
644.25244	0.5
645.27271	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	644.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01877	8.9
55.05511	46.4
55.05774	2.7
56.65891	1.8
57.03442	28.4
57.07081	2.7
59.04994	7.1
60.95260	1.8
65.03938	3.9
67.05507	100.0
67.09169	1.9
68.05845	2.4
69.03423	8.3
69.07067	22.8
69.09479	11.8
71.01341	2.4
71.05000	10.0
71.08628	2.1
73.02896	4.1
79.05499	58.3
81.03420	98.0
81.07057	68.1
83.04982	31.6
83.08624	36.4
85.02904	39.5
85.06557	4.5
87.04488	5.2
91.05484	62.2
93.07049	36.7
95.04968	42.8
95.08616	20.4
97.02890	7.1
97.06540	9.2
97.10173	21.9
99.04427	2.1
99.08103	4.4
103.03930	2.2
105.04527	2.4
105.07027	38.2
107.04967	14.8
107.08593	20.5
109.06520	11.6
109.10162	61.6
109.10891	4.0
111.04441	4.3
111.08091	19.3
113.06007	4.5
115.05446	3.2
117.07030	7.0
119.08581	34.8
120.08985	2.5
121.06505	3.1
121.10146	16.8
123.08088	4.7
123.11750	3.1
125.09635	21.6
129.05486	5.5
129.07021	14.9
130.21692	1.8
131.08565	20.5
133.06499	4.9
133.10130	19.9
135.08067	1.7
135.11713	7.5
137.09621	4.6
142.07761	3.3
143.10706	2.5
145.10146	10.7
147.08018	4.9
147.11685	21.4
149.09610	10.6
151.11148	2.7
153.12750	3.6
155.10690	4.4
157.08835	3.0
157.10130	22.1
163.11172	15.1
165.12790	5.8
173.09648	2.3
173.11746	19.4
175.11189	23.1
181.92662	1.9
191.10764	2.2
193.10501	4.1
193.12244	82.2
199.13350	8.7
209.11723	6.0
211.13298	97.1
219.10020	1.8
227.12801	8.4
229.14345	54.4
238.61856	1.7
267.15942	33.7
283.15466	2.4
284.15802	1.9
285.16956	69.5
286.17441	3.0
293.21179	10.3
301.16483	10.7
367.24872	4.4
399.23801	26.4
400.24234	2.3
409.25845	1.9
409.40137	2.1
421.25839	8.9
439.26947	26.4
440.27408	2.3
467.30734	2.0
493.27774	2.8
511.28818	3.5
529.30524	2.1
559.36176	11.2
609.35999	17.8
621.92175	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	7.1
55.01878	6.9
55.05516	39.0
57.03440	18.0
62.30413	2.8
63.67510	2.4
65.03951	3.5
67.05510	64.1
69.03436	6.7
69.07078	26.1
71.04989	10.5
76.68014	2.6
77.03918	3.7
79.05500	59.6
81.03422	100.0
81.07064	71.1
83.04992	14.5
83.08630	32.9
85.02893	2.9
85.06541	5.9
89.91323	2.9
91.05489	57.5
93.07054	60.7
95.04976	38.9
95.08611	36.0
97.06011	2.6
97.06537	14.0
97.10165	17.4
99.08100	3.4
105.04508	3.6
105.07037	48.9
107.04984	12.7
107.08599	39.7
109.06526	10.4
109.10149	19.1
111.08099	14.0
115.05463	3.6
117.07016	14.4
119.08597	34.3
121.06536	9.0
121.10178	25.8
123.08070	8.1
123.11720	4.1
124.62389	2.3
125.09664	18.1
129.06982	14.7
131.08592	30.2
133.06494	5.5
133.10123	28.1
135.08028	6.8
135.11668	16.2
137.09622	7.0
137.13240	2.4
141.07028	4.6
142.07788	3.6
143.08537	7.4
145.10126	19.3
147.08037	8.3
147.11731	17.9
149.09647	15.1
149.13348	3.0
151.11143	5.0
155.08586	4.1
157.10132	18.5
159.08078	4.0
159.11717	10.4
161.13255	5.9
163.11227	9.8
169.10120	2.8
171.10304	2.6
171.11714	6.9
173.09583	4.6
173.13268	4.7
175.11162	12.1
181.10101	3.5
183.11734	4.3
187.11174	2.6
189.11259	11.0
193.12270	30.1
195.13858	3.8
199.14821	3.2
211.13327	9.4
227.12756	21.0
229.14334	5.0
249.14752	4.0
255.15977	9.8
257.19095	7.1
267.15927	87.5
268.16434	3.6
269.17468	16.8
275.20111	23.1
349.23718	22.1
350.24240	3.3
367.24866	3.0
387.25073	2.9
419.24063	3.2
421.26123	5.2
437.25040	5.1
443.28128	5.2
447.27206	20.9
459.26965	4.8
461.22787	3.9
461.29056	57.7
462.29196	4.1
467.31427	3.1
493.31552	8.1
511.28922	8.5
541.35242	41.1
546.39148	3.1
559.36530	18.0
591.38849	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	645.434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.1
69.27465	0.5
81.07053	1.3
95.08620	0.6
105.07090	0.8
119.08589	0.5
121.10157	0.6
163.09525	0.4
170.76842	0.5
277.21573	0.9
317.20996	0.6
330.24728	0.5
330.28986	0.6
333.20743	0.6
335.21869	1.2
351.21429	1.8
627.42487	1.6
645.43304	100.0
646.43750	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	645.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51460	0.2
53.92477	0.2
55.05518	0.2
55.40039	0.2
57.06814	0.4
57.07079	5.9
58.06603	1.4
62.06096	4.9
71.08631	3.3
71.42479	0.2
79.05534	0.3
85.10175	0.9
119.08597	0.2
167.16360	0.2
212.23756	3.8
230.24802	100.0
231.25137	3.7
246.78384	0.3
283.15298	0.3
330.93890	0.2
338.82617	0.3
416.20718	4.2
421.63107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
58.06426	0.7
67.05508	3.2
68.05034	1.6
69.03429	1.9
69.07050	1.0
70.94778	0.9
79.05508	3.2
79.70638	0.8
80.05029	2.3
80.06271	6.2
81.03429	0.9
81.07057	2.4
82.06576	12.5
83.01321	0.9
83.07359	100.0
84.07706	1.2
86.06089	0.9
91.05487	2.1
93.07042	2.6
94.06573	1.7
95.04990	1.1
95.84363	0.8
96.08124	9.5
97.06512	1.0
105.07018	1.8
106.06580	1.9
106.43503	0.7
107.04943	1.3
107.08620	1.0
108.08091	4.1
109.10127	1.1
110.06043	2.0
111.04407	0.9
111.08045	1.0
117.07040	1.4
119.08560	1.9
120.08128	3.2
121.06513	1.7
122.06039	2.5
122.09675	3.1
124.11207	4.9
125.02319	1.0
125.12001	9.3
126.12806	8.3
127.03979	1.3
127.06268	5.0
129.07016	0.8
131.08611	2.4
136.11224	3.0
137.06018	2.0
137.11929	1.1
138.09192	1.5
138.12828	1.1
140.03737	0.9
140.04713	3.7
141.05481	3.3
142.07764	1.0
143.08588	2.8
145.10129	1.0
148.11195	1.9
149.02377	1.7
149.09634	0.9
152.07039	1.5
152.10698	14.9
155.07095	1.1
159.08092	1.3
160.08928	0.9
162.12766	8.7
163.07657	0.9
163.11261	1.0
164.14363	8.2
166.08661	1.2
166.12294	1.7
167.07112	4.5
167.09441	2.0
170.11757	12.0
173.06013	1.5
175.11194	1.8
176.03369	0.8
177.09087	2.6
179.07054	1.3
179.14400	1.2
180.07813	1.7
180.10289	1.0
186.35411	0.9
188.08383	0.9
191.07010	0.9
192.11504	1.0
192.13904	1.0
193.05026	1.8
194.15431	1.5
196.13347	2.0
204.13951	2.4
205.08656	3.8
208.13324	63.0
209.13979	2.5
220.10982	2.7
221.15509	1.4
222.14886	11.0
232.16951	2.2
236.16544	1.7
244.16972	1.1
248.16489	1.4
262.18063	4.3
288.16049	2.4
321.15836	2.0
332.14911	5.5
360.18277	1.5
361.24384	1.1
370.20239	1.4
374.19525	1.2
388.21210	12.9
389.21915	43.0
429.11890	2.3
449.29117	2.8
459.60818	1.1
646.33679	97.5
647.33801	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	646.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05484	1.2
56.05017	0.3
57.07046	0.9
58.06582	0.4
61.02888	0.4
62.06052	1.0
65.03905	0.3
67.05504	1.4
69.03431	1.5
69.07060	1.9
70.06601	2.2
71.07357	0.3
71.08632	5.4
72.08118	1.1
73.02896	0.3
78.51051	0.3
79.05449	1.1
81.03428	1.6
81.07053	2.7
83.04965	0.5
83.07332	0.3
83.08568	0.7
84.08105	1.1
85.02869	1.2
86.06072	3.5
87.00801	0.6
88.07603	2.1
91.05439	0.7
93.07034	2.0
95.04942	0.4
95.08627	1.4
96.08138	2.6
97.02857	0.8
97.06487	0.7
97.10145	0.7
98.06029	0.7
98.09710	2.5
99.04414	0.9
99.08072	2.3
102.09180	1.5
105.07001	0.8
107.08556	1.0
108.08115	1.6
109.02892	1.5
109.10126	0.4
110.09649	0.3
114.09122	0.3
116.10731	16.0
119.08548	0.5
121.02821	0.3
121.08839	0.3
121.10140	1.7
122.09643	1.3
123.11769	0.3
124.07587	0.5
126.09171	0.4
127.03890	1.9
131.08537	0.4
135.10374	0.4
135.11646	0.5
136.11174	0.7
138.12769	0.4
139.11172	1.1
140.10678	0.6
141.07162	0.3
142.12257	0.3
143.10674	1.9
145.04904	0.6
147.08025	0.3
149.01231	0.4
149.02357	5.5
149.03459	0.6
150.12770	0.4
152.14381	0.4
153.44141	0.3
154.15901	2.6
159.02873	0.3
164.14357	0.4
166.15865	2.6
168.17484	0.7
178.15894	1.2
193.04967	2.0
196.16971	6.8
200.20105	4.8
203.12727	1.1
204.13892	0.7
210.14836	0.9
211.13332	0.9
214.18013	100.0
215.18336	2.0
228.15993	0.8
229.14348	2.0
263.09430	0.3
264.19849	0.4
282.20642	3.8
300.21713	5.6
366.17096	0.4
380.27832	3.0
385.09280	0.6
388.21341	1.2
398.29010	18.1
399.29318	0.7
403.10297	1.1
429.11887	1.2
462.23279	5.3
473.14362	1.1
548.19373	0.4
548.26953	1.7
549.19122	0.4
628.32794	0.6
646.32837	11.0
647.32709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68460	0.4
55.05510	0.8
56.05060	0.4
64.32745	0.3
67.05502	1.0
69.03426	2.4
69.07083	0.9
70.06589	3.6
71.05008	0.5
71.45692	0.3
73.04488	0.3
79.05492	1.2
81.03429	1.0
81.07071	1.5
82.06567	0.9
83.07366	0.9
84.08150	4.4
85.02918	1.2
87.04493	0.7
91.05487	1.4
93.07078	1.2
95.04984	0.5
95.07371	0.4
95.08611	1.8
96.08128	4.4
97.02889	0.6
97.08923	0.8
99.04488	0.7
105.07034	0.7
107.08614	0.7
108.08143	0.8
109.08942	0.7
110.09687	4.9
110.10358	0.5
113.73478	0.3
117.07022	0.4
119.08589	0.7
120.08118	0.6
121.06538	0.4
121.10213	0.4
122.09670	9.2
122.10548	0.5
124.11234	1.7
133.02844	2.1
134.09702	1.0
135.04480	0.4
136.11214	5.1
137.12001	7.4
138.12778	23.1
139.07629	0.6
139.13176	0.6
145.02867	0.8
145.10106	0.4
148.11203	0.4
150.12775	0.5
151.03909	2.3
162.12804	0.6
163.03903	0.6
164.14357	6.7
166.15907	2.5
174.12885	0.4
176.14401	1.6
177.05531	0.9
178.15950	0.8
180.17509	1.4
189.09065	4.1
190.15964	0.6
191.16795	0.5
196.68211	0.4
204.17480	0.5
220.13467	0.5
232.20773	1.1
250.21657	18.7
276.19412	0.6
278.21146	9.5
278.24109	0.5
279.21442	0.4
292.19241	0.5
293.08374	0.4
294.20740	0.9
296.22205	15.8
297.22681	0.7
320.22498	0.5
326.55814	0.4
338.23285	1.3
343.54211	0.4
368.24512	1.3
380.24045	1.6
422.25424	3.2
438.24939	0.5
440.26465	12.9
441.26563	0.5
628.35114	2.4
643.80695	0.4
646.35889	100.0
647.36450	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	646.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.01870	8.9
55.05515	36.1
55.93604	1.4
57.03443	14.9
57.07070	2.6
59.04984	2.0
65.03939	2.9
67.05508	76.5
67.05868	3.7
69.03430	6.7
69.07068	22.0
69.40231	1.5
71.04999	9.8
71.08635	16.8
74.06026	1.8
79.05494	51.6
81.03421	100.0
81.07057	72.4
83.04994	14.0
83.08624	35.0
83.09095	2.7
85.02925	3.5
85.06548	4.8
91.05487	44.0
93.07050	57.7
95.04979	35.9
95.08611	38.7
97.02905	2.7
97.06519	9.5
97.10175	23.9
99.08109	13.1
105.04543	2.6
105.07029	35.8
105.07730	2.3
107.04967	11.4
107.08596	35.9
109.05888	2.4
109.06480	10.2
109.10169	16.3
111.04472	2.7
111.08103	11.0
112.06848	1.8
115.05473	2.3
117.07018	11.1
118.87669	1.5
119.04962	2.6
119.08588	27.9
121.06523	8.4
121.10154	24.8
123.08093	6.4
123.11755	4.0
125.09641	20.6
129.06987	16.0
131.08572	25.9
133.06541	4.0
133.10139	19.6
134.10370	1.8
135.08060	5.0
135.11714	9.8
137.09621	4.5
139.11200	2.5
141.06944	2.9
142.07811	4.9
143.08549	7.2
145.06503	2.6
145.10124	9.3
147.08037	6.2
147.11694	14.6
149.09610	8.8
149.13242	9.7
151.11209	12.7
153.09128	3.8
155.08543	3.4
157.10162	14.7
159.08060	2.1
159.11696	7.8
161.09695	2.1
161.13254	6.3
163.11234	6.1
165.12671	1.8
169.10197	4.1
171.10339	2.1
171.11629	3.5
173.11758	2.2
175.11211	9.7
177.12802	4.0
179.14355	4.0
183.11696	2.6
185.13290	2.8
189.11241	10.1
189.12735	2.7
193.12233	28.9
195.13896	3.7
199.14926	2.4
203.14288	3.0
211.13275	4.0
217.15935	2.6
225.14847	1.8
227.12779	27.6
229.14409	2.9
245.13853	6.0
249.14922	5.5
259.20795	2.1
267.15909	86.0
268.16422	2.2
269.17456	29.4
275.20068	2.6
277.21603	16.8
293.21124	3.3
319.22614	2.1
351.25497	22.8
356.24377	1.8
365.23285	2.7
369.24384	5.3
370.24643	1.7
387.25385	2.6
392.72308	1.6
400.38367	1.7
419.24011	3.6
423.27762	2.0
437.24835	10.2
443.27917	11.8
445.29630	4.7
447.27518	10.3
451.31900	3.4
461.29007	90.6
462.29276	5.5
469.27493	1.9
469.33694	2.5
475.30896	1.9
493.31631	15.2
525.35669	2.5
543.36774	47.9
544.37286	2.7
561.37701	13.0
575.40118	2.0
593.40131	3.1
630.88239	2.0
646.42969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22782	1.2
62.09148	1.2
63.02435	1.1
65.03951	5.6
71.45667	1.5
79.05473	3.2
91.05470	3.4
93.03413	4.0
95.04946	2.1
103.05459	3.2
105.07027	15.9
106.04177	2.9
107.04962	3.0
110.03651	5.5
111.04484	6.8
112.61298	1.2
115.05445	3.9
118.04120	1.9
119.04955	1.4
119.08601	1.6
121.06498	2.1
123.04409	1.2
125.06006	7.9
129.06984	2.6
131.04895	2.4
133.06491	12.4
137.05991	2.4
139.07472	1.2
143.06001	1.7
145.06459	2.8
149.06001	6.3
151.03914	31.5
151.05025	3.4
153.05464	42.4
159.08064	5.0
161.05971	22.7
165.05534	2.2
167.07030	27.5
171.04410	2.1
172.05276	2.0
174.06818	3.8
174.59171	1.1
175.07549	15.5
177.05455	3.5
179.07025	2.3
181.08569	2.8
186.06763	2.9
187.07518	8.1
189.05524	8.9
189.06999	2.0
191.07011	1.7
191.08626	2.3
195.06554	5.5
199.07474	5.6
202.07732	2.4
203.08614	4.1
204.07883	1.4
205.06476	2.5
206.07295	2.0
209.08086	5.0
215.08623	2.3
216.07784	8.3
218.07253	3.1
219.08025	5.9
220.08795	2.6
221.05931	1.3
221.09615	1.4
229.08611	2.2
231.07930	6.1
233.05933	2.5
233.09587	2.4
234.06697	2.6
235.07532	4.9
236.08298	3.6
237.09055	2.0
245.05977	1.6
246.06717	2.1
247.07619	6.7
248.08299	6.7
249.09102	5.2
250.06357	1.3
250.09834	1.6
251.10788	6.0
259.07578	5.0
260.08170	2.1
261.05405	3.7
261.09103	1.3
262.06186	1.4
263.06955	1.3
263.10651	3.2
264.07721	7.3
265.08624	9.7
275.06985	5.2
276.07697	9.5
277.08563	5.2
278.09354	3.3
279.10178	6.9
280.10818	1.6
281.08203	2.0
281.11548	2.1
287.06848	1.3
288.07773	3.5
289.08478	4.8
291.06940	1.6
291.10059	7.1
292.07162	3.1
292.10501	1.6
293.07947	5.8
294.08826	1.9
303.09930	2.0
304.07468	2.0
305.08044	2.8
307.09604	22.2
308.10291	9.1
309.11179	2.7
311.12579	1.7
313.57849	1.3
319.09503	9.4
320.10208	3.4
321.11136	4.1
323.12613	5.7
324.09906	2.2
325.10532	1.7
337.10745	2.8
339.12253	100.0
340.12738	8.6
341.13751	4.7
351.12271	31.6
352.12918	4.8
369.13287	4.4
375.11935	3.7
452.14352	4.5
547.19006	2.4
557.17188	3.0
565.20483	2.5
587.18933	14.7
647.10669	2.2
647.20966	37.5
647.31604	3.1
648.21185	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	647.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.78948	0.8
65.03944	3.3
70.06602	1.6
71.45551	1.0
75.04480	3.0
77.03930	1.7
78.04726	4.2
79.05486	6.8
81.07063	1.3
81.21810	0.9
84.08144	1.5
85.02900	2.0
88.07665	1.0
89.06024	0.9
91.05482	18.4
93.03406	9.6
93.07033	4.4
95.04971	6.5
96.05747	1.0
97.06528	2.9
101.05048	0.9
103.05471	8.4
105.04501	2.1
105.07035	62.6
106.04173	23.3
107.04949	4.4
108.02160	0.8
109.06525	2.4
114.28040	0.8
115.05447	2.3
117.07093	2.0
119.04941	2.7
121.06506	29.7
123.04461	4.2
123.08120	1.1
124.05230	2.1
125.05990	7.9
127.31310	0.8
129.06966	1.5
131.04945	2.5
133.06480	2.4
134.03633	2.6
135.04434	1.3
135.08063	2.7
137.05978	11.5
139.07538	1.9
147.04430	1.8
147.08035	1.5
148.05185	1.9
149.02365	2.4
149.05981	40.6
151.03915	1.4
151.07555	3.0
152.04648	1.5
153.05515	1.1
153.09103	9.7
160.05176	0.9
161.06007	5.4
163.03932	1.1
163.07571	2.5
165.05452	1.1
166.06293	1.9
167.07047	56.6
168.07443	1.2
174.06815	2.2
175.07559	8.3
177.05473	19.9
179.06937	1.1
181.08585	21.2
181.10092	1.3
187.07520	1.2
191.07063	4.7
193.04941	1.3
193.08572	2.1
201.20483	1.1
205.08685	2.2
209.08095	100.0
210.08524	1.5
210.14915	2.3
211.50105	0.8
220.08842	1.9
223.11267	2.0
229.12143	0.9
235.11304	2.1
239.10716	1.5
241.12262	9.4
253.12241	22.7
254.12634	1.0
265.12259	12.7
276.19681	1.0
283.13266	18.7
312.22421	0.8
323.97055	0.9
327.12503	1.5
327.74121	1.0
366.55374	1.1
387.14648	0.9
408.17679	1.0
419.18610	6.6
430.12384	1.4
437.19760	5.7
647.22540	1.1
647.31415	5.8
647.41168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67645	0.5
56.05036	6.0
57.03447	1.0
57.07076	1.3
58.06600	3.3
62.06093	4.7
67.05499	1.4
68.74447	0.5
69.07057	0.8
71.08620	0.9
74.06080	36.1
81.07068	0.9
84.04498	1.3
86.06044	0.8
86.09706	100.0
87.10023	1.0
91.05499	0.8
93.07063	0.8
95.08624	1.3
96.04457	0.7
103.05460	0.7
105.07038	0.6
109.10149	1.0
115.03867	0.6
120.08104	19.7
125.10722	0.6
130.05048	0.8
142.12286	2.0
143.11787	1.3
149.05917	0.7
152.10701	3.8
161.09567	0.5
166.08636	11.5
176.10750	0.6
177.05399	0.6
186.09285	0.7
187.14410	5.9
192.10191	0.8
197.12923	1.4
203.11806	0.7
211.20676	1.3
215.13907	4.8
221.12790	2.5
231.11383	1.5
240.23193	0.6
249.12407	1.8
259.51709	0.5
267.13400	25.6
268.13849	0.6
268.22690	0.8
277.11884	1.3
289.63596	0.5
324.28894	4.1
362.20587	4.4
380.21756	0.9
381.31168	15.1
382.31485	0.6
436.35339	3.4
454.36319	1.6
464.34796	2.7
482.35931	5.2
629.42493	8.2
630.43604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47876	0.9
57.17073	0.9
69.54565	3.8
78.04730	1.2
79.05499	2.3
88.77354	1.0
91.05473	8.0
93.07023	1.4
95.04967	2.5
103.05482	1.2
105.04496	0.9
105.07004	4.9
107.08582	1.2
108.05711	1.5
119.04943	1.2
119.08541	1.5
121.06500	22.1
121.07322	1.5
123.08070	6.9
135.04433	2.2
135.08040	7.5
137.05934	1.1
137.09605	2.9
139.07515	6.0
149.06058	1.1
149.07132	2.3
149.09521	2.1
150.06764	21.2
151.07544	60.0
152.07915	1.0
161.05893	1.4
163.07527	1.6
164.08282	1.8
165.09113	76.6
166.09428	2.7
175.07507	1.4
177.09119	2.6
179.10637	2.5
191.10771	1.0
193.10277	1.4
195.72696	0.9
196.68506	0.9
197.09625	1.7
208.08826	4.7
209.09633	6.0
222.10362	1.1
223.11156	13.3
224.08374	1.3
224.11958	4.5
225.09097	12.9
225.12500	1.3
226.09845	2.4
227.07301	1.0
227.10684	1.1
236.08328	1.5
237.09007	4.9
238.09766	2.1
239.10754	4.1
240.11472	13.5
241.12224	3.2
242.09483	1.6
247.28586	1.0
251.10706	4.9
252.11456	7.6
253.08650	10.7
253.12164	3.3
254.09302	1.8
255.13785	13.4
257.11667	6.1
266.12912	1.7
267.10098	5.7
268.10928	23.8
269.11691	6.9
270.08859	2.2
282.12518	2.2
283.13278	52.1
284.14020	9.5
285.11224	12.0
285.14548	2.4
287.16342	1.4
293.17548	1.2
300.13574	25.1
301.13745	1.3
315.15891	100.0
316.16635	37.4
317.17203	3.5
436.94757	1.1
493.25647	2.7
583.61511	1.1
631.32837	5.9
648.44879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
60.04904	0.6
60.98819	0.6
66.04706	1.0
69.80698	0.6
77.03922	0.9
79.05492	3.1
81.07039	1.6
91.05497	3.1
92.02644	0.7
94.04183	4.3
95.04980	2.0
103.05459	2.2
105.04537	1.0
105.07027	12.0
107.04932	2.2
109.06513	3.0
115.05444	4.6
119.89455	0.6
121.06525	1.4
122.03639	9.7
128.06218	2.5
131.04916	1.6
133.06497	7.1
135.04419	23.1
135.05458	1.9
137.05972	100.0
138.06322	1.0
139.05402	1.1
141.07028	1.6
143.04855	1.3
143.05998	1.0
146.03590	3.6
147.04314	0.8
149.06032	0.9
150.06786	5.2
151.07451	1.3
156.05659	1.3
159.08034	1.1
161.05974	57.5
162.06422	1.3
165.09094	6.7
166.09436	1.3
167.04861	0.7
167.07011	0.9
168.05659	1.2
169.02602	1.7
171.08032	2.5
175.07565	1.3
184.04996	22.7
185.05728	0.7
187.07611	1.1
191.08574	1.7
192.09300	0.9
199.07541	22.7
202.07758	8.5
203.08542	21.9
204.09157	2.0
215.08559	1.2
219.08096	4.4
220.08809	6.6
221.09659	1.3
222.06781	0.8
230.07294	1.8
231.08031	33.5
232.08737	6.6
233.09428	1.2
234.06770	0.6
234.10161	0.6
235.07419	0.8
235.11195	2.3
241.06339	0.7
243.08136	1.0
245.05977	0.8
245.09630	1.2
247.07515	5.6
248.08321	15.4
249.09071	2.4
258.06793	2.7
259.07526	27.9
260.08307	24.1
261.08963	2.9
262.09857	1.7
263.10654	16.0
264.11115	0.9
265.08554	1.7
268.28104	0.6
273.09198	1.4
274.09717	1.1
275.07053	2.3
276.07828	11.9
277.08557	5.6
280.10977	0.8
290.09537	0.7
291.10144	92.8
292.10736	9.8
293.07996	2.7
295.09579	0.8
295.13281	2.1
299.06708	0.8
307.09863	0.7
308.10403	3.5
314.09189	1.5
323.12766	80.3
324.13092	2.9
345.10959	57.9
346.11325	2.5
386.13538	2.6
391.91913	0.6
497.15628	15.3
498.15909	1.3
649.36725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01879	0.7
55.05510	3.7
56.84185	0.6
57.03441	2.0
57.07072	1.1
59.05007	0.8
61.02927	0.7
64.55431	0.7
65.03973	0.8
67.05509	10.1
69.03430	2.3
69.07069	3.1
70.06628	0.7
71.04995	1.4
73.02919	0.8
78.02401	0.6
79.05506	6.1
81.03425	3.5
81.07059	7.3
83.04988	2.4
83.08652	3.3
84.68301	0.7
85.02917	1.0
85.06575	1.0
91.05479	6.4
93.07049	7.1
95.04995	2.9
95.08609	4.2
97.02895	1.1
97.06552	1.7
97.10175	1.3
105.07026	6.8
107.08620	4.4
109.06516	0.9
109.10153	7.1
111.08086	1.1
117.07049	2.2
119.08588	4.8
121.06552	1.1
121.10178	3.0
123.08083	1.3
125.09663	2.2
129.05530	0.8
129.07016	1.1
131.08603	3.1
132.50494	0.6
133.10144	4.1
135.08122	1.0
135.11729	1.9
137.09592	1.0
142.07794	0.7
143.08612	1.9
145.10139	4.2
147.08028	0.8
147.11711	2.2
149.02411	0.6
149.09650	1.3
150.45546	0.7
151.05759	0.7
155.08600	1.6
157.10176	2.6
159.08044	0.9
159.11769	2.0
161.09639	1.2
161.13231	0.7
163.11209	1.1
167.08612	0.7
169.10170	1.3
171.11754	1.7
173.09610	0.9
173.11826	1.9
173.13289	0.8
175.11258	1.2
175.14943	1.0
181.12283	0.7
183.11717	1.2
185.13293	1.1
193.04941	1.2
197.13336	1.5
207.13754	0.8
209.13411	1.0
221.15497	1.5
222.51703	0.7
223.11288	0.8
229.14496	2.2
247.16747	0.8
257.18924	0.9
271.34415	0.8
276.31058	0.8
283.15128	7.7
291.19958	0.7
333.20401	4.1
333.24033	0.8
339.17853	4.6
389.23187	2.1
445.23511	0.7
479.26663	1.1
487.34134	5.4
595.36670	1.5
613.38135	1.1
631.38788	1.3
649.39307	100.0
650.39642	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	649.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	2.9
58.06589	0.4
70.06593	8.8
71.08627	1.8
71.19955	0.2
72.08152	0.2
74.06113	0.4
83.48946	0.2
83.70872	0.2
84.08084	0.3
88.07634	13.0
102.09179	7.6
120.75240	0.2
122.60237	0.2
132.10216	0.6
146.06076	0.3
146.11761	0.4
156.17433	0.5
170.47256	0.2
200.20099	31.7
201.05379	0.5
201.20370	0.6
202.42560	0.2
216.06638	0.3
222.56633	0.2
232.73517	0.2
244.22731	2.1
250.51395	0.2
261.11295	0.3
262.23770	100.0
263.24103	3.0
321.35123	0.2
406.11285	0.8
410.19449	0.3
545.03491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27694	1.5
51.47845	1.5
53.03941	4.0
55.01867	3.5
55.05526	3.2
57.03421	5.4
59.04984	1.8
60.04512	2.7
61.02923	9.8
66.69899	1.7
68.25745	1.7
69.03428	32.5
70.61214	1.6
70.61562	2.7
70.91420	1.4
71.05005	2.9
73.02918	7.9
79.05486	2.5
81.03417	22.7
81.07051	2.2
85.02905	100.0
87.04464	17.7
91.03971	7.4
91.35735	1.4
95.04980	1.8
97.02891	37.7
97.03499	3.0
98.23338	1.7
99.04461	7.1
100.11250	4.8
103.52518	1.6
106.05003	2.1
109.02873	17.3
111.04435	2.5
114.84387	1.5
115.03930	60.7
115.04720	3.4
115.05447	5.9
115.84937	1.5
117.07071	3.2
118.49377	1.5
127.03917	55.9
129.07014	4.7
131.04909	3.2
133.04959	20.1
135.03667	1.0
135.04417	42.2
137.05974	36.3
143.04933	14.5
145.04953	72.2
145.06447	5.6
157.06506	5.5
160.05240	4.1
161.05965	3.3
163.06097	7.6
163.07372	2.1
173.05978	53.0
175.06108	1.2
175.07538	33.3
182.15384	2.6
185.05988	22.8
187.05992	2.7
187.07526	16.0
189.09131	4.0
203.07004	18.9
205.08638	6.6
210.14809	3.5
215.07042	2.6
231.08086	3.0
233.08086	34.2
235.09705	9.2
241.07080	2.7
259.08118	22.5
261.09024	1.7
269.08090	6.3
277.09122	10.9
289.08453	5.2
291.10120	3.3
309.11090	3.8
309.21826	2.2
321.11115	7.1
339.12280	12.7
366.26431	2.7
649.99158	2.7
650.22839	2.9
650.49438	4.1
652.03534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40123	0.3
64.67625	0.3
65.03918	0.5
69.03433	1.8
69.07071	2.5
70.06578	1.0
80.43027	0.4
81.03381	0.3
81.07059	0.5
85.02903	1.9
86.09717	0.5
87.04470	0.9
93.03405	4.7
97.02890	1.0
112.10795	0.3
120.08128	0.4
123.04438	0.8
124.88809	0.3
127.03944	0.6
139.03891	1.5
149.02341	42.0
150.02692	0.8
163.03935	1.1
167.03387	4.5
180.08733	0.4
205.08600	100.0
206.08929	2.6
208.05298	0.3
223.09673	9.3
279.22525	0.3
309.13446	2.2
349.12634	0.7
367.13916	4.1
374.18289	0.6
491.68875	0.4
503.46771	0.4
650.31921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05041	0.8
57.07076	0.3
57.20851	0.1
58.06631	0.6
59.07384	0.1
60.08168	6.8
61.36985	0.1
67.05510	0.7
68.84153	0.2
71.07375	3.9
71.08649	0.1
79.05477	0.2
81.07070	0.3
86.09711	32.6
87.10033	0.3
95.08611	0.3
98.98478	3.3
104.10744	2.3
106.22902	0.2
106.43363	0.1
109.10143	0.4
110.85007	0.1
125.00011	22.9
154.57024	0.1
184.07350	100.0
185.07703	0.7
226.07434	0.2
374.08502	0.2
496.34256	0.2
571.62781	0.2
650.43866	9.8
651.44202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	18.2
71.42812	0.4
74.97613	0.7
97.99163	0.7
118.06551	0.8
124.42440	0.4
131.60553	0.4
132.08038	1.0
144.08060	1.0
146.06001	3.1
156.01241	0.5
159.09166	0.5
174.02274	17.3
188.03815	4.8
188.07062	5.9
189.01193	0.4
189.07323	0.5
190.01663	0.6
192.03323	25.9
197.03882	0.5
199.05354	0.5
202.01738	0.9
204.03271	1.5
205.09750	2.3
206.04893	7.9
207.02025	0.9
210.04388	3.4
215.02802	0.7
215.04910	14.7
216.03398	0.5
216.05289	0.6
217.06485	17.3
217.12337	0.4
218.05025	0.6
220.02844	2.4
222.04384	3.5
224.05956	1.2
229.02888	0.9
231.04451	1.7
233.05984	8.0
234.04320	0.5
235.07515	12.6
236.02303	0.9
238.03842	0.8
240.05341	0.6
243.04350	8.2
247.03838	2.1
249.05585	0.6
261.05469	80.5
262.05817	2.1
279.06516	44.9
280.07010	1.0
284.07053	1.2
308.18811	0.6
312.90424	0.4
316.06088	3.2
331.10947	0.6
334.06998	0.5
335.02133	0.5
386.11630	1.2
402.11182	4.6
404.12912	0.8
430.10712	10.7
431.10828	0.9
447.13400	100.0
448.13806	5.5
505.80173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62651	2.4
79.51672	0.6
84.08203	0.7
91.05509	0.7
92.38277	0.6
98.22733	1.1
207.06644	0.8
210.50816	0.7
212.96788	0.7
246.24333	0.7
250.31340	0.7
402.35904	0.7
410.13553	2.3
425.12137	2.3
430.75787	0.7
439.56036	0.7
440.14508	3.9
472.17889	0.9
636.21356	0.8
651.24115	100.0
652.24506	6.9
652.34747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05510	1.5
57.03442	0.6
67.05508	3.0
69.03430	0.6
69.07073	0.7
69.53842	1.5
71.05003	0.6
78.32745	0.4
79.05482	2.3
81.03431	0.9
81.07057	2.7
83.04986	0.9
83.08631	0.9
85.06580	0.5
91.05501	1.6
93.07069	2.2
95.04995	1.4
95.08619	1.1
97.10155	0.7
105.07064	1.2
107.08623	1.9
109.10192	1.5
119.08547	1.0
121.10179	1.6
131.08575	1.0
133.10143	0.6
147.11740	0.6
163.11261	0.5
193.12404	0.7
283.15112	8.8
283.17789	0.6
296.15707	0.5
335.21896	4.4
339.17853	4.6
391.24545	2.5
440.85797	0.5
489.35876	0.8
548.36200	0.5
561.34076	1.5
651.40863	100.0
652.41339	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	652.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01864	3.1
57.03435	5.2
61.02928	8.6
68.42632	0.6
69.03067	1.4
69.03431	25.6
69.36177	2.8
70.06582	1.2
70.89538	0.6
71.04990	2.2
73.02915	8.0
75.84478	0.6
81.02961	1.1
81.03419	21.5
81.07035	1.1
85.02905	86.3
87.03963	1.3
87.04465	16.5
91.03950	6.2
91.05469	0.9
93.03397	0.9
93.58078	0.7
94.04211	1.4
97.02892	33.2
99.04446	5.4
101.02364	0.7
103.05477	1.1
104.82458	0.6
105.07109	0.7
108.04496	1.5
109.02876	12.1
109.06517	1.4
115.03932	58.2
115.05450	4.5
117.06955	0.8
122.03645	3.1
122.07111	1.4
125.05995	1.6
126.05486	1.1
127.03915	44.2
128.04184	0.8
128.06192	1.4
129.07008	3.9
131.04898	2.5
133.04962	19.6
137.05978	84.9
138.06331	1.7
143.04921	10.0
144.05692	1.0
145.04962	62.8
146.05283	1.0
149.05988	0.8
151.03934	1.6
151.07532	1.7
153.05446	2.0
157.05125	1.2
157.06477	6.0
160.05206	12.5
161.04518	1.4
161.05954	2.5
163.06015	5.6
163.07497	3.4
165.05377	0.8
172.05219	2.2
174.06761	1.9
175.07541	100.0
176.07906	3.6
179.05449	2.4
179.06920	0.8
187.07544	35.2
188.07971	1.7
189.09102	9.6
199.07544	0.9
201.09198	0.8
202.07858	0.8
203.08658	1.2
205.04729	11.3
205.06622	1.5
205.08591	24.3
211.07585	1.2
217.08600	5.0
219.08176	0.7
219.10109	1.2
231.07993	1.9
235.09651	35.1
236.10034	1.0
239.06929	1.3
241.07027	2.9
247.07553	1.3
248.08247	1.7
251.10677	1.0
255.06467	1.0
259.08093	16.7
263.10587	2.5
270.08884	2.5
271.09662	5.0
276.07938	1.1
277.09122	9.2
279.10010	2.0
281.08179	0.9
283.09430	1.0
291.10062	6.8
292.10825	1.2
293.08398	0.9
296.10291	0.9
311.12735	2.9
323.12805	8.5
325.14227	1.1
331.89227	0.9
341.13834	18.6
342.14090	1.6
357.13449	1.0
458.15329	2.4
462.88934	0.8
653.22113	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	652.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01876	2.9
55.05507	0.8
57.03433	4.1
61.02922	4.9
61.91733	0.6
65.03912	0.8
65.36443	0.5
67.05508	0.9
69.03427	16.1
69.07066	1.2
69.42936	2.4
71.05002	3.5
73.02914	4.4
74.21074	0.6
79.05490	2.6
79.52357	0.5
81.03416	14.2
81.07058	4.8
83.04987	0.9
85.02905	47.5
85.06572	0.6
87.04470	9.6
91.03951	2.9
91.05486	3.4
93.07043	2.3
94.04168	1.7
95.04955	1.4
95.08603	2.3
97.02893	18.1
97.06513	1.2
99.04449	7.0
101.02431	0.6
103.05459	1.4
105.07021	4.9
107.04935	5.8
107.08595	1.8
108.04452	1.0
109.02878	9.9
109.03616	0.5
109.06528	2.4
109.10162	3.0
111.08037	1.3
115.03114	1.4
115.03930	28.8
115.05433	4.7
117.07012	1.9
119.04883	0.9
119.08577	2.4
121.06505	1.6
121.10138	2.1
122.03664	4.8
123.11697	1.8
124.35246	0.6
125.06010	1.0
127.03915	25.4
127.07600	0.8
128.06236	1.5
129.07014	4.3
131.04893	3.2
131.08571	1.1
132.05695	1.2
132.63387	0.6
133.02864	0.6
133.04976	8.9
133.06482	3.0
133.10066	0.8
135.04433	1.4
135.08011	0.8
137.05977	100.0
138.06313	1.9
143.04941	5.4
143.08580	0.7
144.05717	1.8
145.04958	33.8
145.10117	1.5
146.03656	0.6
146.05312	0.7
147.04411	1.1
147.07993	1.7
147.11639	0.9
149.05981	1.1
149.09596	0.9
151.03955	1.0
151.07492	1.5
153.05464	1.1
155.04880	0.6
157.06497	3.6
159.08073	2.0
159.11707	1.5
160.05214	8.9
161.05988	8.3
161.13234	0.6
163.06020	3.0
163.07405	1.1
163.11229	1.0
165.05450	0.7
171.07957	0.7
172.05202	1.9
173.06010	1.3
173.09547	1.1
174.06732	1.2
175.07541	65.7
176.07852	2.1
179.07030	0.9
187.07532	25.7
187.11154	0.8
188.07910	1.4
189.09114	6.1
190.07751	1.0
191.08580	4.8
191.10233	1.0
199.07588	3.7
201.16483	0.6
202.06076	0.6
202.07918	0.8
203.06979	0.6
203.08586	3.4
205.06712	0.9
205.08592	13.1
205.10440	0.9
206.08820	0.7
208.08765	0.7
211.07570	1.3
213.09135	0.7
215.10764	1.0
217.08601	3.6
217.12189	1.3
218.07286	1.2
219.08078	7.9
219.10025	1.2
219.17534	1.3
220.08855	1.7
222.73633	0.7
231.08080	2.6
232.08688	0.9
235.07304	1.5
235.09615	18.9
235.13260	1.0
236.08257	1.1
237.18510	4.3
239.07097	0.7
241.06964	0.8
247.07509	4.3
248.08255	2.6
248.68831	0.6
251.10681	13.9
251.13104	1.3
252.11147	0.9
255.06439	0.7
259.08035	10.9
260.08209	1.2
261.09119	0.7
263.10703	3.3
264.07703	1.2
270.08743	1.8
271.09656	3.3
276.07803	1.8
277.09116	5.1
279.10202	9.9
280.10684	1.6
281.08179	1.4
283.09665	1.0
291.10092	5.4
292.10623	1.5
293.08224	0.9
296.10461	1.5
311.12750	29.9
312.13071	1.9
323.12799	10.1
325.14233	0.8
333.24039	3.2
341.13834	13.6
351.25168	1.1
398.02621	0.6
531.22095	1.4
652.26575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17561	0.5
50.43718	0.5
53.03944	1.0
53.55347	0.5
55.01863	0.9
55.80458	0.5
57.03423	1.8
60.15252	0.6
61.02924	1.4
68.47695	0.5
69.03429	10.3
71.04974	0.9
73.02914	2.3
79.05494	1.2
81.03416	6.3
81.07072	1.0
84.08128	0.7
85.02902	22.6
87.04465	3.9
91.03949	1.7
91.05471	2.8
93.07027	1.5
94.04180	2.4
95.04991	0.7
97.02885	9.5
99.04453	2.2
103.03948	1.0
103.05460	1.3
105.07027	4.0
107.04924	1.1
108.04469	0.7
109.02869	5.3
109.06511	1.5
115.03927	11.6
115.05467	1.8
117.07001	2.5
119.04961	0.7
119.08570	2.2
121.06485	1.8
122.03655	6.0
127.03915	14.0
128.06157	0.5
129.06998	1.9
131.04901	1.5
131.08534	0.9
132.05722	1.5
133.04958	2.9
133.06511	4.0
134.03624	0.7
135.08040	0.6
137.05972	100.0
138.06302	2.0
145.04968	17.3
145.06465	2.4
145.44086	0.6
147.04445	1.5
147.08041	2.4
149.05975	3.6
151.03865	0.7
151.07497	1.1
159.08095	2.0
159.61806	0.5
160.05180	1.6
161.05975	15.4
162.06729	1.3
163.06067	0.8
163.07503	1.5
169.06493	0.6
173.05988	0.8
173.09607	1.0
173.42389	0.6
175.07539	25.6
177.09151	1.0
179.07034	1.6
187.06076	0.7
187.07559	8.1
189.09073	0.8
190.07755	1.6
191.08551	4.7
193.08614	2.0
199.07553	4.1
202.07826	1.4
203.08534	1.7
205.08597	2.0
207.08107	0.9
208.08865	0.7
217.08626	1.2
218.07224	1.3
219.08064	9.2
220.08792	1.8
231.07942	2.6
232.08771	0.8
235.07343	1.1
236.08319	1.6
237.09146	0.8
247.07539	4.9
248.08301	2.5
249.09120	0.8
251.10678	17.0
259.07983	7.7
260.08365	1.3
261.09158	1.7
263.10648	2.4
264.08002	1.1
269.11487	0.7
275.07339	0.7
276.07816	0.9
277.08936	2.0
279.10132	11.9
280.10721	1.1
281.08066	1.1
281.11499	0.5
291.10144	6.1
292.10950	1.2
296.10580	1.2
308.10513	0.9
309.11084	1.4
311.12762	39.9
312.13138	2.7
321.11206	1.2
323.12769	17.3
324.13126	1.1
325.14258	1.0
329.13654	0.7
333.11212	0.8
335.12811	1.7
341.13885	7.3
353.13852	1.9
365.13867	0.9
377.14059	0.7
401.13791	1.7
419.14743	1.1
437.15881	0.9
455.16971	0.8
455.52008	0.6
546.87219	0.7
551.19244	1.7
569.20715	1.0
587.21039	0.9
617.22614	0.8
652.22687	0.8
673.08154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.6
55.01825	1.3
55.05469	0.4
57.03387	1.3
61.02893	0.9
66.37420	0.4
67.05446	1.3
67.31997	0.3
68.99739	0.5
69.03432	13.1
69.03783	0.7
69.07041	0.4
70.06550	0.4
71.04945	1.1
73.02856	1.7
73.37923	0.3
79.05432	1.4
80.04963	1.3
80.06214	0.4
81.03422	6.4
81.05745	0.4
81.06999	1.2
82.06534	0.8
83.01279	1.1
83.04919	0.6
83.07294	0.4
85.02912	7.3
85.06497	0.6
86.06014	0.5
87.00838	2.1
87.04427	0.5
91.05481	2.4
93.07057	1.9
94.06509	0.7
95.04905	1.6
95.08543	0.5
96.04433	0.6
96.08066	1.6
97.02893	4.2
98.06036	0.6
98.09656	0.4
99.04472	2.8
105.01801	0.7
105.04465	0.5
105.07043	1.7
106.06563	4.1
107.04918	0.5
107.08556	1.0
108.08058	1.2
109.02882	4.2
109.06459	0.8
110.06025	0.7
110.09672	1.9
115.03908	0.5
117.05658	0.5
117.06973	0.7
118.06486	1.1
119.04872	1.2
119.07262	0.8
119.08537	1.3
120.08131	2.3
121.06430	1.1
122.05958	1.3
122.09602	0.9
123.07992	1.0
123.10416	0.4
124.07523	0.9
125.05913	0.4
126.09158	1.9
127.03065	0.4
127.03915	6.0
128.47862	0.4
129.06978	0.6
131.07240	0.5
131.08559	0.5
132.08012	1.6
133.06412	0.5
133.08856	0.9
133.10045	0.6
134.09663	2.2
135.07988	0.6
135.10292	0.5
136.07495	0.8
136.11221	3.8
137.05894	1.2
138.09142	3.1
139.03827	0.5
141.05450	0.8
141.06879	0.5
144.08034	0.4
145.04865	1.2
146.05923	1.7
146.09595	0.9
147.06737	0.4
148.07489	1.6
148.11159	0.6
149.05907	0.6
149.09515	0.7
150.09145	1.9
151.03815	0.6
151.07484	1.0
152.10670	0.9
154.12216	0.9
155.03300	1.6
155.06987	0.7
155.55029	0.4
156.98610	0.4
158.09613	0.6
159.02832	0.6
159.07951	0.6
159.10271	0.6
160.07581	5.1
160.11224	2.2
161.08286	0.5
161.09560	0.5
161.11848	0.5
162.09097	0.9
162.12689	1.3
164.10628	0.5
165.05405	1.1
167.06961	1.5
170.09576	0.8
172.11171	0.7
174.09106	0.9
174.12727	1.3
175.07486	0.5
175.14816	0.5
176.10736	0.5
178.12201	0.9
179.06961	1.6
179.12961	0.4
181.08636	0.7
183.06590	2.1
184.11139	0.9
186.09140	0.5
186.12811	0.5
187.05981	0.6
187.11159	0.5
188.10631	1.8
188.14287	0.5
191.06960	0.6
192.13870	0.4
193.08617	0.5
195.06488	0.5
200.10721	0.4
202.12286	3.0
203.09274	0.5
203.12973	0.6
204.13788	1.1
205.08617	0.5
207.06552	2.8
214.12158	0.5
216.10234	2.4
217.08621	0.8
220.11288	0.8
220.13330	12.7
221.07982	1.1
225.07478	0.8
230.15335	0.9
232.16837	0.5
233.08118	0.8
247.09653	1.2
249.11201	2.5
258.12177	0.4
258.14844	1.7
268.13434	0.5
270.11612	0.4
275.12747	3.2
276.12430	0.5
278.17474	0.5
292.15564	1.9
303.36069	0.4
310.14481	0.5
313.69409	0.4
318.16888	1.6
326.13724	1.2
326.17230	0.5
328.15421	1.0
330.17078	0.9
332.14847	1.2
342.16974	1.1
344.14905	0.8
358.20135	0.7
368.18457	1.8
370.20193	0.6
371.17255	0.8
386.19626	24.5
387.19885	1.0
388.21045	1.6
391.06079	0.4
404.20673	51.0
405.21045	2.2
446.21671	0.9
566.25934	1.0
608.27039	19.1
609.27472	0.8
652.25989	100.0
653.26257	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	652.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01877	4.9
55.05510	2.7
57.03437	0.7
59.05008	0.5
65.03957	0.8
67.05502	2.9
69.03434	5.8
69.07063	5.6
70.06593	0.6
71.04987	3.3
71.43827	0.5
77.03914	0.7
79.05495	12.5
81.03413	4.7
81.07050	3.1
83.04984	4.8
85.02898	2.7
87.04426	0.6
91.05481	7.2
93.07046	9.5
95.04962	5.9
95.08605	2.6
97.02880	2.6
97.06535	11.3
99.04456	5.0
101.06005	0.8
103.05463	2.2
105.07028	42.1
106.07336	0.6
107.04955	7.8
107.08595	3.2
109.02876	2.3
109.06510	1.9
109.10196	0.9
111.04444	0.5
113.06010	0.6
115.03945	0.6
115.05469	1.9
117.07011	7.5
119.04960	2.4
119.08599	3.7
121.06508	33.4
121.10162	1.2
122.07138	1.2
123.04408	0.6
125.05994	7.7
127.03934	2.5
128.06253	1.7
129.06990	4.1
130.07791	2.4
131.04906	1.0
131.07645	0.9
131.08563	9.5
133.06487	26.1
133.10117	3.0
134.06818	0.7
135.04413	2.2
135.08044	1.6
135.11690	0.7
137.05965	8.0
138.06302	1.4
139.07541	0.8
141.06979	3.4
142.07755	1.1
143.07034	7.3
143.08556	5.6
144.05716	1.2
144.09364	2.3
145.04968	1.1
145.06485	10.9
145.10123	56.1
146.07172	0.9
146.10411	2.0
147.04391	0.8
147.08028	1.5
147.11705	1.0
149.05962	0.6
151.03925	2.0
151.07571	1.2
152.05736	0.8
153.07011	1.0
154.07771	3.2
155.08562	7.1
156.09079	0.5
157.06519	1.3
157.10109	1.7
158.07277	15.5
158.08574	0.9
159.04465	0.8
159.08055	15.7
159.11694	19.9
161.05966	1.0
161.09602	3.0
161.13223	0.6
163.07578	1.0
163.11172	0.9
165.05492	0.7
167.07001	1.2
167.08397	0.8
169.06358	0.6
169.07736	0.7
169.10100	8.2
171.08025	2.2
171.11668	1.3
172.08839	6.0
173.09616	100.0
174.09993	3.0
175.07504	1.3
175.14812	1.1
177.12737	0.6
179.08553	3.3
181.06477	0.5
182.07268	2.7
185.09656	1.2
187.07652	1.1
187.11177	41.2
188.11543	1.6
189.12746	1.7
191.10651	2.5
191.14224	0.4
197.09607	14.3
198.09926	0.5
203.06915	0.7
205.08612	0.7
205.12236	19.7
206.12584	1.3
209.15364	0.7
213.09142	0.8
215.10670	78.4
216.11002	2.6
220.11813	0.7
229.12315	0.5
233.11722	77.6
234.12047	2.7
251.10582	0.7
251.12796	4.9
257.11676	1.0
275.12717	0.6
281.12219	0.5
289.58603	0.5
309.13242	0.7
311.12692	0.9
319.11835	3.3
323.12692	0.5
337.12817	23.6
338.13037	1.2
341.13669	1.3
355.13858	21.0
356.14078	0.9
357.13239	0.9
358.13568	0.7
359.14789	1.6
375.14182	1.0
376.14798	1.0
377.15976	2.3
381.22632	0.4
395.16891	1.1
437.17844	0.6
455.18866	0.8
458.75427	0.4
481.16959	2.8
490.28052	2.6
499.18158	14.4
500.18219	1.1
571.72162	0.5
652.32269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01869	4.1
55.05502	12.0
57.03428	3.7
57.07075	6.3
59.04999	3.7
61.02916	2.5
65.03944	1.9
66.40002	1.0
67.05500	18.3
67.05852	1.4
68.99794	1.3
69.03425	13.3
69.07067	41.8
71.04975	8.9
71.08652	1.4
73.02897	1.9
79.05490	15.5
81.03425	8.5
81.07053	47.1
82.07374	1.5
83.04974	6.9
83.08617	18.0
85.02898	18.2
85.06566	5.4
87.00829	7.1
87.04478	3.1
91.05482	9.1
93.07044	52.0
94.07373	1.1
95.04990	6.8
95.08604	39.9
97.02884	8.2
97.06532	10.8
97.10175	4.6
99.04454	14.2
99.08080	1.3
101.06072	1.4
103.05455	1.5
105.01860	4.0
105.04502	1.6
105.07027	16.5
107.04947	2.3
107.08591	80.1
108.08907	1.9
109.02866	9.7
109.06514	22.7
109.10152	41.6
110.10512	2.4
111.04466	2.8
111.08064	7.2
111.11727	8.1
115.03913	6.2
115.07565	1.5
117.06975	1.6
119.08575	11.0
120.08120	6.8
120.08865	1.3
121.06503	4.0
121.10140	83.0
121.65005	1.0
122.10468	1.7
123.08056	3.8
123.11702	13.4
125.05982	2.5
125.09610	4.5
127.03909	11.3
127.04750	1.3
127.07534	3.1
127.11161	1.7
129.05525	1.1
129.07014	1.9
131.08553	8.1
133.04977	1.5
133.06479	1.7
133.10147	8.0
135.04425	3.7
135.08041	3.4
135.11691	24.8
137.09619	3.5
137.13255	5.6
139.03874	1.5
139.07535	1.6
139.11182	9.9
143.08562	1.2
145.04980	5.5
145.06404	2.2
145.10141	8.4
147.11679	5.7
149.02382	5.4
149.09616	39.5
149.13249	38.8
151.11156	8.1
153.12737	41.7
157.10069	1.6
159.02878	2.5
159.08018	1.4
159.11736	2.4
161.09627	2.6
161.13252	2.4
163.11185	19.2
165.12729	4.0
166.08624	4.4
167.10672	98.7
167.14313	100.0
168.11035	2.3
168.14677	1.6
171.11652	1.8
171.13744	7.9
173.06001	4.8
173.13257	2.6
175.11293	1.4
175.14844	3.5
179.10704	3.8
181.12227	41.0
182.12619	1.7
183.13844	1.4
185.05998	1.5
185.11739	64.3
185.15353	77.9
186.12123	1.6
186.15781	1.1
187.07610	1.1
189.16412	1.9
193.12302	2.1
197.11639	1.3
199.13232	10.6
199.14771	1.7
201.16505	1.8
203.06985	1.8
203.16434	4.2
205.08554	2.1
207.17439	1.3
209.11729	1.3
213.03976	1.2
217.19411	1.2
219.17497	2.7
227.12773	2.1
229.14436	3.0
231.05127	1.7
233.08101	1.3
237.18443	1.4
248.61868	1.2
249.75275	1.0
269.22635	2.2
275.20175	1.6
277.09192	1.8
283.15405	1.6
287.23645	5.4
293.21072	6.5
293.24304	1.6
301.16556	1.9
305.24695	13.4
315.23129	4.1
323.25803	14.5
331.22568	2.2
333.24219	36.6
334.24689	1.3
349.23566	1.4
350.24292	2.5
351.22034	1.4
351.25272	33.1
352.25488	1.5
369.26331	11.3
387.10709	3.7
387.27429	10.7
388.20850	1.2
389.21463	1.7
455.25983	2.5
490.35803	1.2
608.24188	1.8
640.46472	1.5
652.31110	1.7
653.31024	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	652.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93102	1.3
52.83567	1.4
53.03949	3.6
55.01870	4.7
55.05508	15.1
57.03436	7.3
57.07072	6.8
59.04989	3.1
61.02903	4.3
65.03933	2.5
67.05158	1.9
67.05503	28.7
69.03432	20.3
69.07067	44.3
70.06587	3.9
71.04987	13.2
71.08613	1.9
73.02903	3.2
73.06562	1.8
75.42387	1.2
77.03929	1.7
79.05492	28.6
81.03411	11.0
81.07054	67.2
83.04971	8.7
83.08621	9.5
85.02399	2.7
85.02901	38.3
85.06532	4.9
87.00830	4.5
87.04479	10.8
91.03963	1.3
91.05482	16.8
93.07043	77.9
94.07387	1.7
95.04970	14.2
95.08602	67.8
96.08931	1.3
97.02888	11.7
97.06546	11.9
97.10141	6.0
99.04445	10.0
99.08099	4.9
101.06018	1.4
103.05439	1.6
105.04491	1.9
105.07021	20.6
107.04955	4.8
107.08589	49.6
109.02870	9.2
109.06505	13.0
109.10154	38.5
110.10517	1.6
111.04462	2.4
111.08086	9.7
111.11710	6.7
115.03927	35.5
117.07007	3.0
119.05008	1.1
119.08567	15.4
120.08099	14.8
121.06504	5.1
121.10141	75.1
122.10476	2.4
123.04432	5.6
123.08076	9.6
123.11706	36.2
125.06059	2.0
125.09622	10.5
127.03910	20.0
127.11186	5.3
129.06960	1.7
131.08566	9.4
133.04961	11.1
133.10114	12.6
135.04408	3.5
135.08025	4.0
135.11681	23.5
137.05888	1.5
137.09619	8.6
137.13258	7.9
137.14154	1.3
139.03886	1.7
139.11180	16.9
140.10646	1.5
141.12756	1.6
143.08582	3.9
145.04979	14.8
145.06181	1.6
145.10097	9.4
147.11687	9.9
149.02362	5.0
149.09616	15.5
149.13257	15.6
151.07520	1.3
151.11176	4.1
153.12738	16.2
155.10643	3.9
157.10138	4.2
159.02823	1.7
159.11650	10.0
161.09610	3.8
161.13245	4.3
163.11226	7.4
163.14882	2.4
165.05376	1.3
165.12744	5.5
166.08627	9.3
167.09195	2.1
167.10678	44.1
167.14305	16.4
169.12248	3.8
171.11667	2.3
171.13786	3.1
173.09669	1.9
173.11804	1.7
173.13251	3.9
175.14833	5.2
177.12848	2.1
177.16362	2.7
178.04990	3.1
179.10732	2.1
181.12230	13.0
185.09651	4.0
185.11717	15.3
185.13329	1.9
185.15352	15.2
187.07480	2.2
187.14955	1.8
189.16333	3.0
191.10657	1.7
193.12286	1.5
193.15823	3.0
195.13719	2.1
199.13297	5.0
199.14920	1.7
201.16348	3.8
205.08597	2.6
207.17407	2.2
209.11736	2.2
213.09059	4.3
215.10686	1.9
217.12335	1.4
219.17500	1.5
227.12772	1.5
229.14355	5.0
229.19455	2.0
231.04945	2.0
233.11746	2.2
235.16960	2.0
237.18445	1.8
249.11220	5.6
251.12735	2.0
253.17961	1.9
259.08087	3.7
269.22684	2.9
277.09171	15.4
283.15393	1.8
287.23657	13.7
293.21085	19.3
293.24658	4.4
305.24722	50.7
306.25058	3.5
311.22083	1.4
311.25726	1.3
315.23199	2.2
323.25781	100.0
324.26065	6.0
333.24295	13.3
333.27826	2.6
339.08487	2.1
341.26657	2.2
351.25317	22.5
369.09613	6.0
369.26260	4.2
387.10669	4.9
387.27560	3.6
388.21143	2.6
436.34091	1.5
437.25412	3.8
455.26413	2.7
490.35263	3.7
581.31946	1.8
652.29095	2.5
652.38647	2.9
653.30573	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	652.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
54.77630	1.3
55.01875	4.4
55.05514	26.4
57.03435	7.0
57.07078	10.7
57.37885	1.5
59.04997	3.2
61.02934	5.2
66.86555	1.2
67.05508	29.4
69.03427	15.7
69.07069	38.3
71.05001	5.3
71.08630	3.5
71.42853	1.4
73.02920	2.8
73.98251	1.4
79.05494	25.3
81.03420	25.8
81.07057	73.7
82.07399	1.9
83.04990	15.4
83.08128	2.1
83.08619	30.7
83.09097	2.3
85.02912	31.6
85.06546	6.9
85.10178	1.7
86.32198	1.5
87.00842	1.5
87.04460	7.9
91.03959	2.1
91.05480	19.4
93.07047	48.5
95.04971	20.2
95.08604	48.7
96.08978	1.8
97.02901	13.4
97.06523	14.7
97.10173	25.5
99.04460	6.2
99.08096	3.0
103.05425	1.4
103.72219	1.5
105.04480	1.6
105.07031	22.3
107.04932	6.6
107.08597	39.9
109.02885	8.6
109.06511	19.3
109.10159	44.7
111.04498	2.0
111.08086	20.8
111.11736	3.7
115.03935	20.8
116.00471	1.3
117.07025	3.6
119.08572	25.4
120.08113	2.3
121.06509	6.5
121.10143	43.4
123.08073	5.5
123.11708	17.3
125.06009	2.7
125.09628	22.7
127.03925	14.5
127.07581	2.6
127.11192	2.3
129.05501	1.7
129.07027	3.9
131.08591	6.7
133.04990	3.8
133.06476	2.9
133.10132	20.1
135.08078	5.5
135.11687	14.5
137.09587	8.3
137.13255	14.9
139.07539	6.4
139.11189	5.9
141.12744	1.5
143.07201	1.7
143.08533	3.0
145.04959	7.6
145.10130	11.6
147.08040	3.7
147.11687	17.5
149.02345	2.3
149.09622	7.0
149.13266	15.8
151.11188	5.2
153.09077	2.7
153.12733	5.5
155.07066	3.3
155.10661	2.7
155.14247	1.8
157.08772	2.1
157.10159	7.6
159.11700	6.7
159.68524	1.3
161.09656	3.1
161.13300	7.1
163.11197	8.7
163.14819	3.9
165.09076	2.7
165.12778	4.4
165.16406	2.7
167.10695	7.7
167.14337	5.0
171.10283	1.4
171.11661	2.1
173.09567	3.5
173.11916	1.7
173.13315	4.5
175.11205	6.6
175.14893	4.3
177.12741	2.3
177.16386	4.5
179.10774	2.7
181.12233	3.4
183.17494	5.6
185.13239	1.4
185.15379	2.5
187.14871	2.8
189.11244	10.9
189.12688	2.0
189.16432	5.1
191.10648	1.5
191.18033	3.0
193.12248	16.6
195.17416	1.4
199.14935	2.6
201.16441	2.5
203.17966	7.3
205.12227	2.1
207.17488	1.8
208.74080	1.5
209.11804	2.7
211.13272	24.0
211.15144	2.3
213.16380	3.6
215.10698	3.0
215.18027	1.6
217.08615	1.4
217.19542	3.6
219.17462	2.2
219.21069	2.0
221.19096	2.8
227.12785	32.5
229.14360	9.5
229.19685	3.1
231.04884	1.7
235.20592	3.0
245.13823	26.7
259.07910	2.6
259.24298	5.1
267.15875	6.9
269.22604	8.9
275.23813	1.8
277.09259	4.2
277.25357	2.6
279.23242	4.9
283.15375	3.8
285.16956	16.9
287.23709	18.2
293.21512	2.6
293.24811	11.4
301.16351	1.7
305.24738	81.3
306.25110	3.3
315.23221	3.3
323.25803	100.0
324.26117	5.3
333.24261	10.8
341.26886	15.4
350.23990	1.6
351.25293	22.1
352.25616	2.1
359.27881	5.6
369.26370	10.6
413.75632	1.8
419.24268	2.3
427.20053	1.4
437.25427	15.1
444.67780	1.7
455.26413	50.5
456.26877	3.6
563.32300	2.4
600.99152	1.4
616.76184	1.5
653.30908	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	652.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01870	3.2
55.05260	1.4
55.05513	19.0
57.03421	3.5
57.07080	7.3
59.04980	2.5
59.30538	0.8
61.02924	2.2
64.45087	0.8
65.03938	1.3
66.16020	0.9
67.05506	21.6
69.03435	12.2
69.07069	31.3
69.17247	5.1
71.04996	5.8
71.08630	2.9
73.02917	2.7
79.05495	14.1
81.03423	9.9
81.07057	49.3
83.04981	8.6
83.08616	20.0
85.02908	26.0
85.06559	5.1
87.04465	9.2
91.03974	1.8
91.05485	11.4
93.06450	1.3
93.07046	35.2
95.04974	9.2
95.08607	41.4
96.08929	1.1
97.02890	8.6
97.06529	9.1
97.10180	6.3
99.04456	3.0
99.08087	2.3
105.04538	1.2
105.07025	14.4
107.04950	2.5
107.08596	24.2
108.94725	0.7
109.02901	4.6
109.06513	15.2
109.09423	1.9
109.10164	34.8
110.10468	1.0
111.04447	1.6
111.08069	14.8
111.11698	2.9
115.03934	20.1
117.07010	2.3
119.08585	14.0
121.06503	2.9
121.10146	37.0
123.04426	1.4
123.08053	5.1
123.11710	12.0
125.09626	3.7
127.03912	12.5
127.07607	2.2
129.07013	1.8
130.07813	1.2
131.08565	4.8
133.05014	4.4
133.10135	10.4
135.08064	2.3
135.11690	8.6
137.09593	5.2
137.13258	13.3
139.07510	5.5
139.11159	4.7
142.07828	1.0
143.08508	1.8
145.04944	6.9
145.10100	5.8
147.08081	1.7
147.11679	8.8
149.09625	3.5
149.13268	11.6
151.11150	3.1
151.14801	1.5
153.12735	2.5
155.10666	2.1
157.10123	4.0
159.11685	5.3
161.09656	2.5
161.13255	5.4
163.06055	1.7
163.11157	5.7
163.14803	5.3
165.09137	1.6
165.12773	3.0
165.16426	4.5
167.10683	3.8
167.14297	2.5
169.12206	2.2
171.11763	1.9
173.11804	1.9
173.13275	4.0
175.11206	2.0
175.14830	4.2
177.16408	4.1
179.10672	2.2
181.12164	1.4
183.15956	1.3
183.17421	5.8
185.13268	2.4
187.14822	2.4
189.16383	5.5
191.10704	1.2
191.17928	1.3
193.12265	3.1
195.17424	1.3
201.16397	1.1
203.17961	3.6
207.17465	2.4
209.11691	2.2
209.18968	1.1
213.16403	2.8
215.17947	2.0
217.19452	2.6
219.10097	1.3
221.18939	1.5
227.12738	1.3
229.14410	6.3
229.17404	0.9
229.19496	4.2
230.14745	1.0
231.17506	1.2
235.20636	2.4
243.21114	1.3
245.22588	1.8
247.09618	7.0
249.18552	1.3
259.08173	2.0
259.24255	4.8
261.21921	1.2
263.23734	1.2
269.22659	6.4
275.23666	1.9
277.09103	2.6
277.25275	4.2
279.23123	5.9
283.15399	4.9
287.23709	14.8
293.24707	10.9
301.16580	1.2
305.24734	69.9
306.25076	3.4
311.25797	2.5
323.25800	100.0
324.26181	5.5
341.26886	13.0
358.20117	2.1
359.27908	7.8
437.25406	8.2
455.26376	7.5
563.31567	1.1
652.31299	2.0
653.32635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86182	1.1
69.41718	1.1
69.89322	3.7
69.89663	1.4
79.05476	1.8
91.05465	2.9
95.04968	3.2
103.05470	46.5
105.03402	3.7
105.04524	2.4
105.07035	13.8
112.63342	1.2
114.63036	1.2
115.05455	3.0
117.28380	1.2
119.04936	4.1
121.06463	1.2
131.04930	100.0
132.05234	1.4
133.06493	11.2
135.04419	24.5
135.08163	1.3
137.05986	2.7
143.06085	2.8
147.04442	8.6
161.05983	28.0
163.07539	40.6
171.14799	1.1
175.25661	1.2
179.07047	8.9
199.07617	2.5
201.03128	4.9
217.02580	3.1
241.91655	1.3
249.09384	1.4
252.16557	1.4
291.10114	6.4
323.12674	1.7
331.11801	2.4
339.06070	1.3
369.07382	3.2
473.15524	2.4
501.13080	6.9
531.14117	6.7
608.72107	1.3
652.42462	1.3
653.17529	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
55.01873	0.7
58.28964	0.5
70.21848	0.6
71.44772	0.7
77.03915	0.9
79.05488	0.8
86.80749	0.5
89.63245	0.5
91.05475	3.3
91.23503	0.6
92.02641	0.6
93.22675	0.6
95.04955	2.6
103.05469	47.7
104.05785	0.9
105.04533	1.3
105.07037	8.6
115.05448	2.0
119.04946	5.3
125.06000	0.7
128.56335	0.7
131.04927	100.0
132.05258	1.5
133.06483	6.4
135.04416	40.5
136.04791	0.7
137.05962	2.1
143.06030	1.6
147.04393	8.6
151.07587	0.9
153.05519	1.2
153.32639	0.6
160.05205	0.6
161.05975	22.0
162.06349	0.6
163.07541	35.5
164.07913	0.9
179.07018	4.3
185.05754	8.9
199.07602	1.1
201.05225	1.9
232.68504	0.6
291.10120	5.7
321.10861	1.0
323.12866	2.5
331.11560	2.6
353.09818	4.1
394.02524	0.6
515.16864	8.7
653.19360	4.3
654.19934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38008	8.5
67.88298	8.6
70.06590	12.5
70.41506	7.2
74.52863	9.0
79.57344	7.8
81.50742	7.9
82.92563	8.1
84.08125	9.6
85.02911	14.6
92.81625	8.2
96.82415	7.7
122.00553	8.9
125.05079	8.1
127.59544	8.0
135.75464	7.7
163.03902	12.0
166.03949	7.9
180.36708	8.4
205.04759	21.6
230.77159	7.4
502.46057	7.9
559.00159	9.6
575.44269	9.0
652.45813	11.1
653.20337	100.0
653.37280	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	654.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.05035	29.0
57.03432	1.4
58.99589	0.3
61.01148	14.2
61.02931	0.3
69.03426	5.7
70.83587	0.3
71.05015	0.4
73.02921	1.0
74.02435	1.7
74.06078	1.8
75.02701	0.3
81.03417	0.6
84.04502	1.0
85.01152	0.3
85.02904	17.2
87.02691	3.5
97.02891	6.6
99.04456	1.5
101.02377	0.8
102.05024	0.2
102.05540	8.4
104.05326	48.2
105.03756	0.5
109.02897	1.1
115.03949	0.5
127.03915	15.2
133.03189	40.4
144.34862	0.3
145.04955	17.1
150.05836	100.0
151.06184	1.0
163.06012	5.7
163.07309	0.4
172.75597	0.3
194.77446	0.2
223.06102	0.5
241.07162	0.3
247.08112	0.4
250.52898	0.2
253.07155	0.4
259.08127	0.8
271.08139	1.1
289.09210	2.2
325.11191	1.4
376.44925	0.3
515.40509	0.3
580.61761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03946	1.3
55.01870	2.0
55.05499	0.4
57.03433	1.2
61.02913	1.1
62.17331	0.3
66.03738	0.4
68.99783	0.7
69.03428	6.1
70.06570	0.4
71.04986	0.7
71.45795	0.3
72.59405	0.3
73.02898	1.2
77.03944	0.3
78.04708	1.6
79.05491	3.7
81.03420	5.7
81.66738	0.3
85.02904	12.3
85.03415	0.7
87.00835	4.7
91.03964	0.4
91.05478	5.0
91.39880	0.3
93.03435	0.3
93.07072	0.4
95.04965	1.6
97.02885	5.6
99.04456	1.7
103.05468	1.8
105.01870	3.2
105.03366	0.4
105.04536	0.5
105.07025	4.7
106.04157	0.9
107.04948	7.5
108.04467	1.3
109.02880	5.1
115.03924	0.3
115.05477	2.0
117.01878	0.8
117.07011	1.8
118.04154	0.6
119.04948	1.9
119.08569	1.4
121.06494	1.3
122.09826	0.3
123.04435	4.6
124.05203	2.4
125.05990	0.6
126.05520	0.7
127.03909	7.8
128.06216	1.5
129.01886	0.8
129.06996	7.1
131.04944	3.1
131.08592	0.7
132.05692	1.4
133.06477	4.8
134.03656	0.8
135.04384	0.6
136.05182	1.1
137.05988	2.0
140.04678	0.4
141.07013	0.4
143.04927	0.6
143.06032	0.5
144.05727	1.3
145.05008	2.3
145.06471	2.3
146.03554	0.3
146.07249	0.4
147.02815	0.6
147.04442	0.8
147.08022	2.6
149.05974	1.0
151.03882	1.3
151.07559	2.7
152.04672	1.5
153.05424	1.6
155.04906	1.1
155.05991	0.3
155.07062	0.4
156.05682	1.1
157.06477	0.9
159.02922	3.3
159.04294	0.5
159.08044	4.5
160.05190	1.3
161.05978	7.5
161.09648	0.4
163.03883	0.4
163.07545	0.7
167.07031	100.0
168.07361	2.1
169.06366	0.5
171.08060	0.9
172.05164	1.1
173.05989	0.8
174.06747	0.4
175.07542	18.9
176.04697	0.8
176.06174	0.4
176.07890	0.4
177.05463	1.5
177.09181	0.6
178.07744	0.8
179.07040	5.7
181.05045	0.3
181.06482	0.5
181.08617	0.5
184.05182	0.9
185.05989	0.7
187.07533	15.7
188.07927	0.5
189.03967	0.4
189.05516	0.4
189.07011	0.6
189.09073	1.3
190.07811	0.8
191.07024	8.1
191.08524	0.8
192.07536	0.5
193.08611	4.0
193.10165	0.7
199.07504	5.8
199.09225	0.5
201.09113	0.7
202.07715	1.0
203.08560	1.7
205.06572	0.6
205.08580	1.7
206.07236	1.6
209.08055	2.3
213.08940	0.4
215.08592	0.8
217.06625	0.7
217.08582	2.2
218.07266	1.5
219.08055	1.2
221.09639	3.2
223.07590	0.6
223.09653	0.7
229.08661	0.6
230.06804	0.5
231.05002	1.5
231.08058	1.4
232.08817	0.7
233.05951	0.5
233.09705	1.7
234.06862	2.0
235.07516	1.5
235.11319	0.4
243.07840	0.5
245.05972	0.6
246.06805	0.8
247.07504	1.2
248.08118	1.7
249.09068	4.3
250.09840	1.3
251.07082	1.8
251.10587	0.4
259.07468	0.4
260.08328	0.7
261.09097	2.3
262.06186	0.8
262.09970	0.4
263.06967	0.8
263.10751	0.4
264.07733	0.5
265.08478	0.7
266.09125	1.5
273.09195	0.4
274.06271	0.6
275.06927	0.5
276.07639	0.9
277.08633	3.1
278.09210	1.2
279.06482	0.6
279.10046	0.8
281.11713	8.3
283.09564	0.9
285.14862	1.3
288.07910	0.5
289.08560	2.2
290.09091	0.8
291.10117	0.9
293.08246	0.7
293.11697	1.5
294.08780	1.5
295.09698	0.7
296.10461	0.3
306.08801	0.8
307.09573	1.4
309.07837	0.6
309.11185	8.2
310.11859	1.0
311.09241	1.2
321.11240	4.0
322.11880	0.9
326.11407	3.0
327.12158	0.7
333.10934	0.4
339.12299	1.1
341.13834	39.9
342.14084	1.4
351.12186	1.5
353.13837	17.0
353.17123	0.3
354.14005	1.3
355.15350	0.6
359.14911	3.9
365.13699	1.5
371.14938	6.4
372.15430	0.4
377.13803	0.4
383.14713	0.8
389.15912	1.2
395.14972	0.6
407.14844	0.4
431.14960	0.5
553.17010	0.6
571.17700	0.8
589.19122	0.4
654.34418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43163	1.1
52.58931	1.2
53.03945	7.0
55.01874	10.1
57.03423	4.1
61.02926	4.8
65.03947	1.3
68.99795	2.6
69.03423	19.3
70.06590	1.7
71.04987	4.6
73.02914	5.2
78.04674	1.1
79.05489	3.4
81.03415	28.5
84.08134	1.7
85.02903	56.2
87.00831	20.7
88.32891	1.0
91.03964	2.0
91.05482	3.3
94.04161	2.7
95.04969	2.0
97.02883	26.8
99.04449	13.2
103.05463	2.3
105.01859	15.7
105.07015	3.0
107.04953	12.1
108.04469	3.1
109.02171	2.2
109.02873	25.5
115.03967	1.4
115.05436	11.4
117.01858	3.7
117.07007	9.2
119.22868	1.0
121.06503	1.7
122.03652	5.4
123.04424	4.9
124.05233	2.3
125.05967	1.6
126.05529	1.3
127.03913	43.0
128.06250	1.7
129.01851	3.5
129.06989	7.9
131.04947	4.3
131.08542	3.4
132.05667	1.4
133.06462	2.1
137.05974	93.4
141.07028	1.4
143.04922	9.6
144.05652	4.0
145.04955	20.8
145.06479	24.4
147.02892	2.2
147.08012	1.6
151.03897	2.7
151.07574	2.1
152.04788	1.4
153.05441	2.9
155.06027	5.4
156.05640	5.7
157.06476	7.5
159.02905	15.0
159.08060	6.6
160.05190	15.9
161.05991	8.5
163.07524	2.0
167.07037	51.3
168.07454	1.5
169.06444	1.3
172.05186	3.5
173.05978	48.7
174.06699	3.4
175.07541	100.0
176.07909	4.0
177.05440	3.6
177.09204	1.2
179.06992	1.7
181.04985	1.2
181.08630	1.4
183.02754	1.1
186.06686	1.4
187.07541	44.1
188.07881	1.7
189.09068	11.5
190.06238	18.9
191.06938	3.7
191.10686	1.2
193.08553	1.8
199.07503	2.0
201.09142	1.9
202.06192	3.4
203.06898	6.2
203.08661	1.6
205.08597	88.8
206.07114	1.7
206.09024	2.7
213.03954	2.1
215.06873	1.8
215.08751	1.3
217.08585	39.7
218.07216	2.1
219.08221	1.6
219.10164	10.2
221.09602	2.8
226.06192	1.3
227.10713	1.6
231.04953	9.2
233.09561	3.2
234.06827	2.4
235.07573	2.1
235.09645	58.3
236.09969	1.6
239.07028	2.4
241.08514	6.9
247.09621	9.5
248.07964	2.5
249.06630	1.3
249.09056	5.4
249.11377	1.5
252.07855	1.7
257.07996	1.4
260.08298	2.0
261.09134	5.3
263.06924	2.6
265.10721	49.5
266.08899	1.9
269.08038	2.1
277.08609	4.4
278.09308	3.8
281.11661	5.6
285.07639	8.6
289.08633	2.0
291.10120	2.2
293.08292	1.5
293.11563	6.1
294.08896	2.6
295.09543	2.1
300.09909	16.0
301.10583	5.0
306.08887	1.5
307.09558	1.6
309.11237	9.3
313.10754	2.1
321.11139	9.3
322.11676	1.3
323.09076	2.2
326.11340	2.3
338.11331	1.7
339.12216	3.1
341.13776	18.7
353.13794	26.2
355.15430	2.1
371.14886	52.8
372.15109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03959	1.7
55.01876	4.8
55.05511	3.0
57.03445	1.0
67.05501	4.6
68.27737	0.9
69.03430	9.3
69.07068	7.6
71.05000	3.0
77.03942	1.5
79.05495	14.3
81.03427	11.3
81.07053	9.6
83.04980	4.9
83.08619	1.0
85.02915	7.0
87.04512	1.2
91.05482	11.9
92.04408	0.9
93.07050	15.2
95.04977	9.3
95.08633	5.3
97.02898	3.3
97.06545	10.1
98.22639	2.2
99.04439	5.9
103.05482	2.3
105.04527	1.0
105.07036	50.2
107.04967	7.4
107.08583	6.3
109.02876	4.5
109.06513	3.6
109.10143	4.7
115.03940	1.7
115.05463	3.0
117.07023	9.2
119.04930	2.6
119.08580	5.9
121.02859	1.9
121.06515	33.7
121.10165	3.3
123.08109	1.7
123.11713	2.6
125.05983	6.9
127.03912	3.5
128.06239	3.1
129.07028	6.1
130.07787	4.4
131.04964	1.6
131.08586	11.1
133.06505	24.1
133.10118	5.2
135.04475	2.1
135.08081	2.1
135.11697	1.1
137.05995	3.0
139.07527	1.2
139.11195	1.2
141.06990	4.3
142.07709	1.2
143.07007	7.7
143.08598	5.9
144.09314	3.8
145.04971	1.8
145.06487	10.4
145.10127	57.4
146.07214	1.0
146.10489	2.1
147.04413	1.1
147.08075	3.3
147.11673	2.0
149.05984	1.5
151.07608	2.3
151.11203	1.3
153.06998	1.7
153.09082	1.1
153.12709	1.2
154.07756	4.8
155.08560	8.5
157.06441	1.5
157.10115	2.5
157.12199	1.5
158.07275	17.5
159.04430	1.0
159.08058	13.6
159.11699	23.1
161.09644	5.1
163.07555	1.3
163.11244	1.3
165.09172	2.3
169.10136	9.5
171.04529	1.0
171.08093	3.1
171.11736	1.8
172.08846	5.5
173.09625	100.0
174.10023	2.5
175.07579	1.4
178.07809	1.6
179.08588	4.1
182.07347	3.1
187.11189	44.7
188.11482	1.1
189.12741	1.8
191.10716	3.4
197.09654	13.6
201.05499	2.0
205.12254	28.0
213.09201	1.4
215.10689	82.4
216.11034	1.8
233.11734	84.5
234.12056	3.4
251.12813	7.6
257.11813	2.7
275.12756	2.0
305.24631	1.2
319.11792	4.6
337.12814	14.9
341.14005	2.0
353.26736	1.2
355.13968	5.8
361.12561	1.5
377.15909	2.7
388.20975	1.2
410.19055	1.1
481.17108	10.7
493.31647	1.0
499.18088	21.1
500.18292	1.0
654.25708	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	654.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.4
53.98156	0.9
55.01877	4.3
55.05517	3.3
56.95524	1.0
62.45317	0.9
67.05506	4.0
68.54159	0.9
69.03438	7.4
69.07062	6.4
71.05003	2.0
79.05494	12.8
81.03410	6.0
81.07058	6.1
83.04973	5.2
85.02920	4.0
85.06538	1.3
87.04457	1.1
91.05495	8.2
93.07040	10.1
95.04995	6.3
95.08625	4.3
97.02908	2.6
97.06528	9.1
98.22672	1.9
99.04463	3.4
103.05466	2.8
105.07037	47.6
107.04948	6.7
107.08614	3.6
109.02879	1.8
109.06541	3.0
109.10181	3.4
110.47691	0.9
115.03947	1.6
115.05474	1.7
117.06317	0.9
117.07008	6.8
119.04959	1.4
119.08585	3.8
121.02876	1.7
121.06512	30.5
121.10139	3.1
123.11729	1.9
125.06022	7.4
127.03928	2.9
128.06270	1.0
129.07028	3.9
130.07793	3.3
131.04921	1.3
131.08562	10.5
133.06491	25.8
133.10132	3.7
135.04414	3.1
135.11671	1.7
137.05936	1.5
139.11163	1.7
141.07016	2.3
143.07066	7.0
143.08575	4.8
144.09343	3.9
145.06502	11.7
145.10126	56.9
146.07256	1.1
146.10507	1.7
147.08081	3.3
147.11674	1.0
149.06035	1.2
151.07607	1.5
151.11270	2.0
154.07802	3.9
155.08563	7.7
157.10150	1.1
158.07274	15.9
159.08047	13.2
159.11694	19.5
161.09653	3.9
163.11223	2.1
169.10124	10.0
171.08119	1.8
171.11700	1.1
172.08882	5.4
173.09624	100.0
174.10019	1.7
175.07640	1.0
179.08612	3.2
182.07254	2.9
187.11183	42.9
188.11447	1.1
189.09106	2.1
189.12776	1.9
191.10713	1.7
197.09633	13.5
205.12242	22.8
207.10176	1.5
215.10675	80.0
216.11098	2.9
233.11734	69.5
234.12218	1.6
251.12848	2.9
319.11804	4.1
321.48151	1.0
329.12228	1.5
337.12787	13.6
355.13925	11.8
377.16104	1.2
388.21283	2.4
461.24252	1.6
481.17203	1.8
491.98761	1.1
499.18222	4.3
654.24805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01872	6.0
55.05505	5.8
57.03434	5.8
57.07076	1.7
57.57677	0.8
59.05003	2.1
65.03927	1.9
67.05502	30.5
69.03429	9.6
69.07065	15.8
71.04993	5.5
77.03928	1.1
79.05490	16.0
81.03412	21.4
81.07055	24.5
82.07343	1.2
83.04976	7.0
83.08617	6.2
85.02906	8.2
85.06548	2.9
87.00817	1.2
91.05466	11.2
93.07040	20.1
93.07597	1.3
95.04963	12.7
95.08604	12.5
97.02892	3.6
97.06527	14.4
97.10168	1.8
99.04455	5.0
101.06019	1.1
103.05444	2.0
105.04539	1.2
105.07027	45.7
107.04968	8.1
107.08588	12.3
108.08864	1.0
109.02890	2.3
109.06516	3.9
109.10157	31.1
110.10464	0.9
111.04437	0.9
111.08083	6.8
111.11723	2.4
113.05981	1.1
115.03927	3.9
115.05464	1.4
117.07011	8.2
119.04942	1.8
119.08555	10.1
119.92673	0.9
120.08128	3.2
121.06504	36.9
121.10110	5.9
122.10480	1.0
123.04439	1.1
123.08083	2.2
123.11696	6.8
125.06005	7.6
125.09635	1.4
127.03934	3.3
127.11137	0.9
128.06230	2.1
129.06973	4.7
130.07777	2.8
131.04938	1.1
131.08563	11.4
133.06485	27.9
133.10146	7.9
135.04449	1.9
135.08081	2.0
135.11687	3.4
137.05920	1.2
137.09621	2.8
137.13304	1.0
139.11174	2.5
140.10724	0.8
141.06966	1.8
141.10986	1.1
142.07788	1.2
143.07033	6.9
143.08556	3.1
144.09341	2.3
145.04936	1.3
145.06473	10.8
145.10118	48.9
147.08035	2.7
147.11696	2.5
149.05992	1.3
149.09581	2.6
149.13274	1.6
151.07553	1.9
151.11179	9.5
153.06920	0.9
153.12753	1.6
154.07774	2.7
155.08556	6.9
155.10663	2.0
157.06424	1.0
157.10182	4.1
157.75905	0.9
158.07263	18.4
159.08052	15.5
159.11699	18.6
161.09628	3.3
161.13301	1.5
163.07526	1.1
163.11176	2.2
165.09158	1.1
165.12759	1.4
166.08624	1.1
169.10132	7.2
169.12277	1.3
171.08075	2.5
172.08765	5.5
173.09615	100.0
173.11914	3.2
174.10004	2.7
175.11220	2.1
177.09149	1.1
179.08542	3.0
181.12256	2.1
182.07307	2.9
187.07556	1.7
187.11177	40.0
189.12726	1.7
191.10565	1.1
193.12245	6.6
197.09625	14.1
204.13824	0.9
205.08604	3.8
205.12209	14.3
205.14066	1.3
206.08968	2.1
215.10664	70.2
216.10934	1.9
229.12631	0.7
229.14340	28.0
233.11720	72.1
234.12057	1.8
251.12784	2.0
257.11682	1.0
267.15903	27.2
271.23972	1.2
277.25241	2.1
289.25214	6.9
307.26285	20.8
319.11710	2.7
325.27429	1.8
335.25745	1.1
337.12811	21.7
355.13818	20.1
388.20782	2.3
403.24533	3.0
421.25769	30.1
439.26611	1.1
481.17084	1.1
499.17950	3.8
654.31323	3.6
655.31750	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	654.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01880	5.8
55.05515	5.3
57.03431	1.2
57.07049	1.5
59.04983	1.1
65.03960	1.3
67.05505	11.3
69.03428	9.9
69.07062	11.7
71.04996	4.9
73.02892	1.6
77.03949	1.1
79.05487	12.4
81.03416	12.5
81.07056	15.7
83.04979	7.5
83.08625	2.9
85.02916	8.5
85.06546	4.3
91.05481	11.7
93.07042	16.1
95.04968	9.8
95.08611	10.9
97.02883	4.5
97.06538	13.8
97.10164	1.3
99.04472	6.0
99.08069	1.2
99.32335	1.0
101.06097	1.0
103.05474	2.9
105.04518	2.3
105.07031	47.7
106.07307	1.5
107.04963	9.0
107.08595	10.4
109.02891	4.3
109.06504	4.5
109.10141	9.1
111.04414	1.7
111.08088	4.2
113.05987	3.2
115.03953	2.7
115.05462	2.7
117.07019	8.3
119.04950	2.1
119.08595	6.7
119.14889	1.1
121.06506	38.9
121.10134	5.1
122.06839	1.3
123.08038	1.3
123.11692	6.0
125.05988	7.1
125.09710	1.3
127.03923	4.8
127.11106	1.4
129.07008	3.7
130.07852	2.4
131.04959	1.7
131.08582	10.9
133.06490	29.7
133.10144	4.7
135.04416	2.9
135.08051	1.2
135.11688	2.5
137.05945	1.7
137.13260	3.8
139.07523	1.8
141.07005	3.9
143.07047	7.5
143.08583	5.8
144.05656	1.2
144.09332	3.1
145.04955	2.6
145.06497	11.7
145.10124	58.7
146.07246	2.0
146.10541	2.1
147.08055	1.6
147.11667	6.0
149.09573	1.3
149.13255	3.0
151.07535	1.5
151.11197	3.2
153.07054	1.1
153.12662	1.3
154.07756	3.3
155.05977	1.2
155.08549	8.7
157.10144	2.7
158.07288	17.4
159.08075	15.1
159.11688	21.1
160.08484	1.3
161.09628	4.1
163.11151	1.7
165.09169	1.3
165.12766	1.8
169.10086	6.9
171.08049	2.7
171.11716	2.0
172.08888	6.5
173.09621	100.0
174.09962	3.6
177.12798	1.1
179.08522	3.7
181.12273	2.1
182.07358	2.9
182.85471	1.1
183.13829	1.1
187.07599	1.7
187.11186	47.0
188.11475	1.8
189.09065	1.8
189.12759	2.5
191.08965	1.2
191.10681	1.7
193.08710	1.2
193.12306	2.2
197.09624	14.5
198.09859	1.2
203.17938	1.8
205.12265	23.0
209.11647	1.3
215.10672	87.3
216.10966	3.3
221.18985	2.8
229.14278	6.4
233.11725	88.2
234.12061	2.7
239.19943	3.8
251.12796	4.4
257.11771	2.9
267.15948	4.8
273.11203	2.6
275.33829	1.2
278.08762	1.2
289.25339	1.9
295.19122	1.5
307.26376	6.9
319.11761	4.9
325.27332	2.0
335.25659	6.9
337.12799	27.7
341.13913	1.5
353.26813	2.6
355.13892	18.3
358.58347	1.2
371.27930	4.1
388.21140	4.8
388.71524	3.1
421.25696	5.1
481.17142	6.9
494.50204	1.2
499.18155	15.3
654.21973	1.9
654.32043	1.7
655.33191	3.8
682.02979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01876	1.1
55.05505	3.7
55.89725	0.6
57.03442	3.2
57.07077	2.0
59.04993	1.5
61.02925	1.5
65.03950	0.8
67.05502	3.0
68.99776	0.6
69.03427	9.0
69.07072	4.9
70.06580	0.8
71.04990	3.9
73.02924	0.6
74.98724	0.6
77.98466	0.7
79.05499	4.5
81.03411	5.6
81.07054	9.5
83.04981	2.5
83.08618	5.1
85.02906	19.3
85.06541	3.2
87.00827	7.3
91.05479	5.1
93.07040	7.7
95.04967	11.6
95.08593	6.9
97.02892	6.0
97.06532	17.8
99.04440	5.3
99.08100	2.7
105.01864	8.6
105.07026	12.4
107.04952	1.4
107.08591	13.0
107.09261	1.1
109.02884	5.8
109.06516	31.9
109.10159	9.2
110.06870	0.6
111.04472	0.9
111.08047	3.2
113.05966	0.6
113.09649	1.5
115.05411	0.6
115.07570	8.5
117.07025	1.6
119.08587	6.9
120.08155	0.6
121.06532	1.4
121.10143	15.2
123.08070	7.7
123.11706	2.7
125.05975	1.6
125.09608	1.5
127.03919	13.0
127.07555	1.6
129.01868	0.8
129.06978	0.8
131.08553	8.4
133.10129	43.1
134.10440	0.9
135.08069	7.3
135.11699	3.4
137.05937	1.1
137.09598	1.1
139.11142	1.4
143.08612	0.9
144.09348	0.7
145.04936	3.4
145.10147	3.8
147.02882	0.7
147.04422	0.6
147.11684	28.4
148.12065	1.1
149.09631	2.0
149.13263	4.0
150.10365	0.8
151.07555	1.4
151.11163	4.0
153.07983	1.2
153.09106	14.2
158.10867	1.7
159.02878	1.1
161.13179	0.6
163.03882	1.2
163.11166	2.0
163.14781	5.4
165.12762	8.0
166.08604	1.0
167.07025	1.1
167.14322	1.2
171.10167	1.5
173.13258	25.6
174.13692	0.7
174.51157	0.7
175.14838	3.2
181.05022	1.4
191.14301	41.4
192.14661	1.9
207.06619	1.7
209.15363	82.1
210.15741	1.9
213.04007	0.7
225.14813	2.0
227.16408	100.0
228.16743	3.9
231.04933	3.5
231.91847	0.7
249.06027	1.9
249.11287	0.7
269.17349	0.8
327.09653	1.1
333.13235	0.7
335.18481	0.7
339.09589	0.6
383.16928	0.7
388.20612	0.8
406.91898	0.7
409.72769	0.8
418.21692	0.9
439.19647	4.0
457.20581	3.1
464.18073	0.6
475.21640	5.0
492.17609	1.0
519.60101	0.6
654.27216	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05514	4.9
57.03444	3.6
57.07078	35.4
61.02928	9.4
65.65237	0.5
67.05507	9.3
69.03433	1.2
69.07070	7.2
71.04996	0.8
71.08633	28.8
71.43276	0.6
73.02927	3.6
75.04468	2.5
79.05490	1.0
81.03421	1.2
81.07059	15.6
83.04982	0.6
83.08625	11.5
84.08141	1.2
85.02910	8.5
85.10183	16.6
89.06020	0.9
91.03957	9.6
91.05472	0.9
93.07037	1.5
95.04920	0.8
95.08611	24.0
97.02895	4.9
97.06524	0.8
97.10165	5.0
99.04475	0.7
99.11735	1.4
100.11253	1.3
100.92532	0.5
103.07567	0.9
107.08606	1.0
109.10164	10.4
111.11731	1.0
120.04478	1.4
121.10140	0.7
123.11720	5.4
125.09631	0.5
125.13269	0.9
127.03902	3.6
131.08578	0.6
137.13257	2.4
145.04961	3.6
145.10173	0.7
151.14859	0.8
156.10315	0.6
163.06041	6.1
182.99442	0.6
221.22597	1.3
231.11400	0.5
239.23697	27.7
240.24026	0.9
257.24808	3.6
298.27377	1.0
309.76816	0.6
313.27365	100.0
314.27612	3.7
331.28421	19.1
427.05838	0.5
473.11853	0.7
475.32440	2.6
628.32043	0.7
655.40125	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	656.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49909	1.0
53.03942	4.3
55.01868	7.3
57.03433	3.3
61.02918	3.2
65.03923	1.5
68.99783	2.9
69.03436	11.5
70.06586	4.2
71.04991	2.2
73.02907	5.0
79.05485	1.6
81.03411	13.8
85.02902	36.8
86.09678	1.3
87.00828	16.6
89.03898	1.7
91.05482	22.5
93.07063	2.8
94.04205	1.8
95.04964	3.9
97.02882	22.6
99.04450	5.2
102.04664	4.3
103.03963	8.0
103.05467	15.2
105.01863	11.8
105.03381	2.3
105.07048	11.1
107.04924	2.2
109.02883	17.5
109.06503	2.6
110.32867	1.2
111.04398	1.2
115.05450	5.7
117.01844	2.4
117.03358	1.8
119.04948	23.2
119.05836	1.2
121.06478	7.9
122.03654	4.0
123.04415	7.9
124.05203	3.9
127.03921	24.0
129.01830	5.7
130.04137	5.7
131.04932	22.4
133.02835	18.5
133.06506	9.8
135.04404	3.2
137.05975	100.0
138.06299	1.9
141.06993	2.0
143.04961	3.3
145.02859	3.7
145.04942	13.5
145.06474	5.0
147.03058	2.3
147.04395	27.5
147.08061	1.4
148.04869	1.1
149.05971	20.2
150.06755	11.0
151.03909	4.8
151.07512	5.9
153.05424	1.5
157.06480	1.8
158.03682	1.4
159.02888	5.3
159.04428	7.7
160.05171	3.5
161.05978	24.2
162.06755	31.1
163.07542	19.2
165.05511	3.0
169.06494	3.7
171.03026	1.9
171.04451	2.9
173.05997	12.6
174.06845	1.2
175.03848	5.4
175.07532	4.6
176.04674	4.6
177.05461	24.3
179.07030	9.7
180.07828	2.3
181.06346	1.3
186.03159	1.9
187.03821	1.8
187.07550	4.9
188.04732	2.1
189.03941	12.4
189.05498	2.8
191.07027	94.1
192.07405	1.8
193.04944	10.7
195.06502	3.3
197.05974	4.6
199.03954	1.1
201.05449	56.0
201.09119	2.2
202.05870	1.2
203.07018	19.7
204.04099	6.1
205.06660	1.6
205.08578	3.8
207.06491	5.4
213.05620	1.3
215.06969	8.1
217.08545	1.3
219.06474	22.0
222.06790	1.3
225.05484	3.2
229.08591	15.0
231.04608	2.0
231.06786	8.3
233.06017	2.8
233.08075	30.4
234.06534	2.0
235.18761	1.4
237.09064	2.7
239.06995	1.8
240.83588	1.2
243.06503	6.0
245.08154	2.2
247.09698	1.7
249.07471	1.8
250.06255	2.4
257.08047	18.3
265.08618	6.4
275.09122	11.7
277.08475	2.6
283.09732	2.0
289.10614	1.6
293.07761	2.3
293.10507	2.1
297.11133	1.5
299.05511	1.9
307.09665	4.5
309.11063	2.3
317.10172	1.9
323.09171	15.8
325.10675	21.4
337.10773	4.3
343.11746	19.5
349.10724	2.7
355.11743	16.8
361.09232	4.6
367.11780	1.4
379.10187	26.7
380.10583	2.1
433.12576	2.1
573.15643	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	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
54.61061	1.9
55.01868	5.4
55.05517	16.3
57.03433	5.1
57.07071	4.1
59.04995	2.5
59.18228	1.8
61.43873	1.8
63.50036	1.8
65.03947	2.3
67.05508	21.9
69.03428	14.0
69.07079	14.6
71.04993	9.2
71.46306	2.0
72.46532	2.3
75.36169	1.6
79.05492	21.7
79.93612	1.7
81.03415	11.7
81.07060	48.3
82.07393	2.1
83.01361	1.6
83.04977	30.9
83.08620	13.2
85.02908	10.6
85.06527	10.3
86.53627	2.0
87.00815	2.2
87.04462	6.0
91.05478	21.7
93.07038	31.8
94.07384	2.4
95.04410	3.5
95.04971	39.0
95.08598	14.8
97.02892	13.7
97.06530	22.2
97.10114	2.4
99.04440	13.1
99.08102	3.1
103.03900	1.9
105.04604	1.9
105.07026	44.1
106.07323	2.0
107.04959	6.1
107.08598	43.2
109.02888	5.3
109.06520	36.6
109.10157	60.2
111.04430	6.9
111.08083	8.8
113.06001	5.9
115.03927	2.1
117.07033	8.3
119.08578	26.0
121.06490	12.3
121.10137	36.1
123.04413	2.5
123.08072	9.1
123.11726	15.8
124.11219	4.4
125.05997	26.8
125.09621	5.9
127.03909	12.0
127.07562	7.6
128.06230	2.4
129.07037	4.4
130.07742	1.7
131.08577	21.0
133.06485	7.1
133.10130	51.6
135.04424	3.1
135.08049	19.4
135.11678	12.1
136.11189	2.0
137.05981	12.1
137.09654	3.0
137.13217	3.6
141.06970	2.4
142.12268	16.1
143.07036	32.6
143.08606	8.9
144.09245	2.3
145.04922	3.2
145.06435	3.9
145.08989	2.6
145.10130	49.7
147.11647	10.6
149.05988	3.0
149.09612	4.1
149.13242	14.0
151.07567	5.7
151.11165	17.3
153.05510	4.1
153.09132	7.6
155.08539	2.1
157.10115	5.7
158.07259	2.4
158.10945	9.3
159.08061	7.1
159.11703	14.7
161.09601	5.3
163.07414	3.1
163.11185	27.8
163.14806	4.2
165.09128	4.2
165.12802	9.0
167.14307	14.7
169.10143	6.1
171.11598	2.1
173.09612	19.1
173.13272	28.7
174.09927	2.2
175.07593	2.1
175.14825	7.2
177.12755	3.0
179.10655	3.6
180.07214	2.1
187.11172	34.6
189.09132	2.0
189.12735	4.3
191.10667	15.9
191.14304	28.2
193.12242	2.7
197.09630	4.9
203.10696	4.2
205.12248	25.0
209.11913	13.1
209.15359	100.0
210.15828	2.4
211.13336	2.2
215.10664	26.9
219.08180	1.9
219.10245	2.0
223.13313	4.5
228.13242	2.4
231.10243	3.4
233.11714	29.4
235.09564	2.3
249.11249	5.2
251.12770	32.0
255.12383	2.5
259.13281	5.5
267.12234	5.3
267.15891	2.9
269.13788	5.1
281.36096	2.1
289.14258	2.2
317.08093	2.7
325.16315	4.5
341.13907	2.4
349.16266	4.2
359.14938	4.0
377.15912	23.0
381.26157	2.9
390.23007	4.6
395.16959	18.5
408.24289	12.4
412.98804	2.0
413.18137	36.1
477.28409	2.4
543.30975	3.4
594.28888	2.3
612.29510	2.6
639.34119	2.2
656.28772	21.7
656.32532	23.8
657.34998	54.0
663.48547	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	656.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.9
57.07068	10.2
62.41063	2.6
62.68171	2.6
67.05507	10.7
69.03429	6.1
69.07065	15.7
71.08637	5.5
71.45439	2.9
78.29591	2.4
79.05489	6.7
81.03426	3.5
81.07056	17.0
83.08628	18.3
85.02907	28.9
85.10174	5.0
91.05485	8.8
93.07054	9.4
95.04991	4.3
95.08582	21.3
97.02908	5.0
97.10181	10.4
105.07037	9.5
107.04977	3.0
107.08586	11.2
109.06533	11.6
109.10168	9.8
111.11732	4.4
117.07053	3.8
119.08585	13.0
121.06525	3.6
121.10149	8.2
123.11703	7.7
125.06031	3.4
125.13229	4.1
125.43388	2.7
127.03902	3.7
131.08536	6.4
133.10120	14.9
135.04431	11.3
135.11708	9.2
137.06007	9.8
145.04980	10.9
145.10184	4.4
146.06035	3.2
147.11667	5.5
149.13275	4.3
153.05525	3.7
155.08578	3.3
159.11728	3.2
161.09598	6.9
161.13301	6.1
163.06071	4.6
163.14850	3.5
169.10031	3.3
173.12979	3.5
175.14952	4.4
187.14738	3.1
189.16463	3.8
199.14893	3.1
233.22697	3.5
241.15929	3.7
251.23637	3.9
259.24219	10.2
269.15356	4.4
269.35327	3.4
271.16882	7.0
287.16544	5.0
305.24698	7.0
311.19986	4.0
315.25519	3.0
395.29401	7.8
397.31265	4.4
411.17987	4.5
413.30484	40.9
414.02554	3.3
423.28937	6.0
429.19281	2.9
441.30005	100.0
442.30008	4.3
447.19806	4.2
459.30762	16.5
656.47729	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84784	2.2
52.78945	2.3
53.03939	3.0
55.01860	3.2
55.05512	20.7
57.03442	18.7
57.06812	4.3
57.07078	52.3
64.39006	2.4
65.03941	3.8
67.05505	59.1
69.03444	3.7
69.07073	69.5
70.60538	2.3
70.60872	4.4
71.04993	26.1
71.08627	40.7
73.02912	3.7
79.05498	51.3
81.03418	7.1
81.07060	60.1
81.07508	5.2
83.04980	13.9
83.08629	20.7
85.06543	2.5
85.10165	21.5
89.06055	2.6
91.05484	37.0
93.07044	45.1
95.04977	18.2
95.08611	49.9
97.06535	100.0
97.10169	9.1
98.22796	2.7
99.08109	6.7
103.05465	2.6
105.04529	4.9
105.07037	21.2
107.04964	7.8
107.08591	19.2
109.06526	14.9
109.10148	20.8
111.08079	6.7
111.11690	2.8
115.05462	3.0
115.07574	46.2
117.07005	19.1
119.08554	17.9
121.06521	5.9
121.10153	9.6
123.08081	3.5
123.11736	7.3
128.06284	2.6
129.07016	8.1
131.08554	18.9
133.10132	21.5
135.08067	13.0
135.11748	8.1
136.08765	2.3
137.09637	2.3
143.08519	5.2
145.10129	11.9
147.08127	3.9
147.11650	5.3
149.09616	4.8
149.13269	9.8
157.10141	6.3
159.11731	10.7
161.09662	4.4
163.11157	3.5
168.99884	2.5
173.13377	2.8
175.11102	3.1
177.12781	3.9
185.13361	2.7
195.13733	3.0
199.14888	3.2
201.12788	2.6
209.25401	2.7
217.15958	13.0
221.15340	5.1
227.18011	4.2
233.15620	2.8
237.16467	4.1
239.23712	5.7
245.19031	5.7
253.14392	8.6
255.17711	4.3
263.20111	2.9
269.17520	14.5
273.18530	32.7
279.45279	2.6
291.19498	23.5
307.19168	3.7
313.27347	77.9
341.26895	9.9
347.22189	8.3
365.23212	15.9
507.40466	51.6
508.40652	3.7
535.40375	3.5
570.73291	2.8
585.44989	5.0
603.46417	14.7
621.46863	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	657.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	0.4
70.03442	0.7
70.06602	0.9
72.08166	0.3
72.44362	0.3
73.71257	0.3
81.07053	0.4
85.70918	0.3
86.09720	0.4
95.05056	0.4
95.08610	0.7
107.74604	0.3
113.07372	0.3
117.39640	0.3
122.55643	0.3
123.04438	0.4
137.05939	0.5
139.03923	0.5
147.04442	0.3
155.03185	0.8
156.42735	0.3
169.04816	0.9
177.16428	0.3
182.63420	0.3
185.04228	0.4
197.04253	0.6
227.05296	0.4
299.07343	5.2
309.09619	0.5
309.24289	0.3
321.11005	0.3
365.09906	0.3
379.11823	1.2
380.12469	0.5
423.12787	1.0
436.39578	0.3
505.14996	1.3
543.18152	2.4
657.21503	100.0
658.21893	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	657.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21768	0.4
65.11762	0.3
67.05509	0.3
69.73616	0.6
70.06590	1.0
79.64196	0.3
85.02902	0.4
97.02869	0.4
98.23416	0.4
105.07024	2.6
106.07400	0.9
108.51508	0.3
120.85638	0.4
127.03914	0.6
136.19945	0.3
137.05994	1.0
149.16031	0.3
151.07550	0.6
155.03185	0.5
169.04765	0.5
185.04199	0.5
189.08978	0.3
197.04266	0.6
227.05434	0.8
229.12331	1.0
230.12616	0.9
269.11734	0.6
299.07324	3.6
309.09506	0.4
411.75812	0.3
423.12906	0.7
536.78638	0.3
543.18219	1.8
642.20612	0.4
657.21509	100.0
658.21875	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	657.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
65.03936	0.9
66.92410	0.7
67.05503	1.7
70.50990	1.1
73.47519	0.9
79.05484	2.9
81.03410	3.3
81.07053	1.6
91.05486	2.3
93.07033	1.6
94.06571	2.1
95.04985	2.1
105.07050	1.5
106.06547	9.1
107.04920	1.1
108.04510	1.1
108.08118	3.1
119.08605	0.9
120.04491	1.5
121.10127	0.9
122.06068	1.4
123.73282	0.8
134.06020	23.9
136.07599	8.3
140.66260	0.8
146.06029	1.6
164.07059	7.5
171.26196	0.8
193.12289	1.1
199.08476	0.8
209.10687	1.0
211.08607	1.6
221.10779	1.8
225.10226	1.1
235.08714	1.1
237.10295	2.3
247.08681	2.8
248.09425	1.4
249.10205	13.1
250.11000	1.5
251.08125	1.2
251.11705	1.0
253.09760	1.2
261.10306	2.0
263.11923	1.4
265.09708	1.7
267.15854	1.6
269.12823	1.0
273.10193	1.0
275.08157	1.1
275.79657	1.0
277.09683	10.1
279.07935	0.9
279.15631	0.9
283.10770	1.1
289.09906	1.3
291.11212	1.3
293.09335	1.8
295.11102	0.9
307.10806	1.1
309.12372	3.7
311.10696	1.0
312.11343	1.0
314.13156	2.1
321.08774	2.1
323.14362	0.9
325.12134	2.1
326.12924	4.8
327.13730	1.7
328.10745	1.5
328.14505	1.9
331.13113	0.9
336.14914	1.5
337.12518	1.0
338.12805	1.5
338.16492	1.7
339.14630	1.6
340.10696	3.7
340.14563	5.8
341.11719	2.4
341.15369	2.0
342.12469	3.3
342.15930	2.1
345.11008	1.0
350.12918	1.3
352.10571	1.3
352.14532	2.4
353.11771	3.1
354.12305	7.9
354.16043	1.2
355.12927	6.2
356.09930	1.1
356.13852	6.8
358.15503	1.9
364.14484	5.2
365.15176	1.5
366.12210	2.0
366.16049	3.2
367.13342	4.5
368.10071	2.6
368.13971	12.9
369.14639	6.6
370.15707	5.1
371.12424	1.1
379.12949	1.9
380.14056	2.1
381.14694	1.3
382.11249	4.5
382.16028	6.7
383.12497	2.7
383.16187	3.1
384.13492	1.4
384.17056	9.2
386.14960	1.9
392.14005	5.1
394.11319	1.2
394.15591	2.9
395.12881	2.6
396.13364	9.4
397.14160	3.9
398.18875	6.1
400.17004	2.0
408.13669	0.9
410.15012	9.8
411.15668	1.3
412.16785	9.3
414.14331	3.1
416.15875	1.2
420.13379	2.8
426.14282	3.6
428.16174	7.8
429.16864	1.3
430.17212	1.7
438.14502	30.3
442.17630	2.1
444.19882	5.1
456.15530	47.0
457.15775	2.5
458.16965	3.6
459.27240	1.4
460.88904	1.1
470.17264	1.7
476.18179	6.7
488.18173	20.4
489.18689	1.1
561.21326	1.2
563.22931	1.4
579.22491	2.1
589.20850	4.5
593.24414	1.1
607.21863	33.6
608.21820	2.5
611.24890	9.7
621.23474	18.1
622.23425	1.5
625.22681	3.5
639.24475	100.0
640.24786	8.5
657.24933	1.9
657.34998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01853	0.9
55.05496	1.3
57.03420	1.5
57.17566	0.5
60.25689	0.5
61.02916	0.6
67.05501	3.1
69.03432	2.5
69.07050	1.1
69.21334	3.0
70.06577	0.7
71.04984	1.0
75.60284	0.5
79.05499	3.2
81.03030	0.6
81.03423	6.1
81.07054	3.5
83.04957	1.7
83.08580	1.4
85.02917	4.9
85.06477	0.5
88.03436	0.4
91.03930	0.6
91.05479	3.7
93.07040	2.4
95.04961	2.4
95.08576	1.9
97.02896	1.7
97.06496	1.6
97.10165	0.6
99.04430	0.9
102.18967	0.5
102.73007	0.5
105.07040	3.4
107.04945	0.9
107.08562	1.1
109.02863	1.6
109.06474	0.9
109.10159	1.8
111.08047	0.7
115.03917	1.9
117.06977	0.8
119.04932	0.5
119.08540	2.0
121.06510	0.7
121.10103	1.5
123.04449	0.6
123.11680	0.6
125.09595	0.7
127.03886	2.1
129.06995	1.4
131.08537	1.1
133.10120	1.1
135.04437	0.5
145.04951	1.9
145.10107	1.5
147.04411	0.5
147.07973	0.7
147.11659	1.3
149.09726	0.6
155.10672	0.5
157.10095	1.2
161.70551	0.4
163.11209	0.9
165.09091	1.3
167.01575	0.9
170.26572	0.5
172.03859	0.9
174.06783	0.4
175.11169	1.0
189.08937	0.4
193.12210	1.8
201.04057	0.6
204.06544	1.5
204.13858	0.6
209.02451	0.6
211.13272	1.9
233.11716	1.7
237.10242	0.5
243.11053	0.9
267.15897	3.0
285.12274	1.6
285.17072	1.0
317.08411	0.7
355.13110	0.6
365.10431	2.1
389.10449	0.8
391.21429	1.3
413.17569	1.9
455.11426	0.8
459.27252	3.1
467.18814	0.9
473.12592	1.2
477.28607	1.2
607.21667	1.1
613.29730	6.5
614.29779	0.7
625.22058	1.0
639.31256	1.7
657.28558	100.0
658.28864	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	657.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05489	1.6
56.96561	0.5
57.03419	0.7
61.02902	0.9
62.35616	0.8
67.05477	2.7
69.03399	1.7
69.07036	1.6
69.18262	3.8
71.04954	0.6
73.11798	0.7
79.05456	1.8
81.03413	4.0
81.07053	4.6
83.04952	1.1
83.08576	0.9
85.02860	2.1
85.06538	0.6
91.05428	2.3
93.06999	2.4
95.04948	1.3
95.08575	2.6
97.02839	1.9
97.06487	1.7
98.22623	0.7
100.75249	0.6
105.06987	2.6
107.04930	0.9
107.08543	2.2
107.24654	0.6
108.12602	0.6
109.02831	1.0
109.10121	2.3
111.04394	0.6
117.06989	0.7
119.08521	1.2
121.06477	1.1
121.10086	1.3
123.07940	1.1
123.11639	0.6
125.46954	0.6
126.92416	0.6
127.03852	0.9
131.08514	1.1
133.06435	0.7
133.10091	1.3
135.08000	0.9
135.11578	0.7
136.07500	1.2
137.05949	0.9
142.12267	1.5
145.10089	1.5
145.43346	0.7
147.11630	0.8
149.09544	1.1
150.82381	0.6
151.07413	0.6
157.10025	0.7
159.59363	0.5
163.11118	0.6
165.09097	2.9
173.09529	1.7
191.10431	0.6
193.12141	1.0
201.27704	0.7
209.15556	0.6
215.10526	1.6
233.11545	1.6
267.15948	0.8
317.08237	1.7
363.25034	0.8
366.91916	0.7
373.20367	0.8
391.21768	4.7
409.22449	2.1
553.26752	0.9
571.27869	1.8
613.29706	19.8
614.29340	1.1
639.31494	2.2
657.28186	100.0
658.28906	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	658.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53998	0.3
63.12414	0.4
65.03937	0.7
67.05504	0.9
69.03425	1.8
69.21297	0.9
69.21681	1.2
70.06596	1.2
71.04998	2.3
79.05487	1.2
80.04996	0.4
81.07045	2.5
83.01356	0.6
84.08161	0.6
91.05468	5.8
93.07037	2.5
94.06536	0.6
95.04977	1.3
95.08606	0.8
96.08127	4.1
97.06530	0.5
98.23352	0.8
99.04462	2.4
103.05501	0.4
105.07027	1.9
106.06590	0.5
107.08601	1.2
108.08106	0.4
109.06525	2.9
119.04875	0.4
119.06084	1.2
119.08562	0.4
120.08118	1.5
121.06502	9.0
121.07320	0.6
122.09682	0.9
123.08092	1.4
132.08070	0.8
134.09622	0.4
135.08049	6.1
137.05981	7.9
145.06450	0.4
146.09505	0.7
148.07552	0.8
150.09140	0.8
154.12248	0.4
160.11214	0.5
162.12784	4.6
170.09718	0.5
172.11220	1.9
182.11803	1.4
187.09901	0.5
188.10680	2.2
190.12300	3.7
202.12238	0.7
212.14488	0.4
214.12311	0.5
214.16011	0.4
216.13831	0.5
218.08366	0.4
221.11719	2.2
230.08125	0.5
231.08923	0.7
238.12383	0.5
240.10217	0.5
242.11862	0.6
242.15483	0.5
254.11787	0.8
256.13379	0.7
258.11234	0.4
258.14990	0.8
260.16489	0.4
268.09851	0.8
269.10519	0.5
270.11166	2.1
270.15027	1.0
271.12094	0.7
272.12891	1.3
278.11743	0.4
281.10513	0.5
282.11401	1.1
283.12088	1.7
284.12747	1.3
285.13528	0.5
286.14249	2.2
287.15198	0.6
288.15903	2.2
293.42181	0.4
294.14923	0.7
296.12961	1.1
298.11020	0.4
298.14319	0.6
300.12344	0.7
304.15570	1.2
308.13040	0.6
310.14328	0.5
311.15292	0.6
312.15994	0.7
322.14493	0.7
324.15826	0.5
326.13977	1.0
336.15820	0.4
338.13721	0.4
340.15436	1.2
342.17123	0.5
368.14944	0.7
386.19308	0.6
410.19763	1.1
412.21246	4.3
416.18463	0.6
438.19113	7.2
439.19687	0.5
440.20935	1.8
444.22198	0.5
560.26251	0.5
595.41626	0.4
630.30579	4.4
658.30072	100.0
659.19757	0.8
659.30457	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	658.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53058	0.3
55.05500	0.4
62.66179	0.3
65.03938	0.8
67.05517	0.6
69.03439	1.3
70.06595	0.7
70.20399	0.7
70.20737	0.5
71.04988	2.1
79.05500	1.2
79.05946	0.4
81.07064	2.2
82.06588	0.7
83.01346	0.4
84.08167	0.7
85.06544	0.3
91.05482	5.2
93.07032	2.3
94.06587	0.6
95.04987	1.2
95.08615	1.0
96.08144	2.8
97.09689	0.4
97.94530	0.4
98.06076	0.4
99.04481	2.0
105.07044	1.6
107.08617	0.9
108.08157	0.5
109.06516	2.7
119.06084	0.9
119.94636	0.4
120.08128	1.5
121.06516	8.3
122.09689	0.9
123.08083	2.3
132.08150	0.6
134.09669	0.7
135.08061	4.6
137.05992	7.7
146.09657	0.6
150.09123	0.5
153.05606	0.3
158.09703	0.6
160.11256	0.7
162.12787	2.9
168.10210	0.4
170.09694	0.5
172.11252	1.6
174.09203	0.6
174.12767	0.4
180.10268	0.4
180.37846	0.3
182.11792	1.3
188.10745	2.0
190.12267	3.8
202.12326	0.7
210.14969	0.8
214.12410	0.5
214.15970	0.4
218.11795	0.4
221.11815	1.6
224.10722	0.5
230.08070	0.5
230.11929	0.7
231.08923	0.9
232.13219	0.5
238.12334	0.4
242.08232	0.6
242.11769	0.6
244.13397	0.5
254.11864	0.8
256.13339	0.9
258.15030	0.5
260.16541	0.8
266.11966	0.5
268.09955	0.5
268.13513	0.4
270.11282	3.2
270.14236	0.5
271.12106	0.4
272.12866	1.0
272.16302	0.7
274.14651	0.4
275.15192	0.4
282.11331	1.1
283.12134	1.3
284.12897	1.2
284.16232	0.6
285.13556	0.6
286.14343	2.2
287.15277	0.7
288.15863	1.8
294.14853	0.5
295.63684	0.4
296.12903	0.6
298.11102	0.5
298.14386	0.7
300.12466	1.2
301.13171	0.6
304.15628	1.2
312.12534	0.4
312.16003	0.9
316.12054	0.4
322.14297	0.5
324.16125	0.6
326.14111	0.6
340.15454	1.3
340.19208	0.6
354.16949	0.6
368.14984	0.8
382.16507	0.6
384.21909	0.5
412.21335	4.3
438.19150	6.4
439.19614	0.4
440.20898	1.6
450.19473	0.9
464.20981	0.5
490.22006	0.7
517.92529	0.4
560.26874	0.5
630.30725	4.7
631.30383	0.4
658.30115	100.0
659.19861	0.6
659.30450	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	658.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28394	0.4
52.90172	0.4
57.03444	4.1
59.04988	0.8
60.04496	0.6
69.03434	14.6
75.04471	0.7
79.05470	0.8
81.03391	0.5
81.07031	1.6
85.02910	9.4
85.83993	0.5
87.03974	0.7
87.04472	10.1
91.05465	1.4
91.46648	0.5
93.07047	2.1
95.08571	1.2
97.02893	12.2
105.07017	4.2
107.08589	0.5
115.03934	11.8
117.06960	0.8
119.08545	1.4
127.03896	0.6
129.06941	0.8
131.08600	3.6
131.09486	0.6
133.04970	9.9
133.10106	1.2
141.06972	1.7
143.08546	3.7
145.04994	0.6
145.10114	2.7
150.07584	0.9
155.04941	1.1
155.08511	3.3
157.08821	0.5
157.10094	2.7
159.11636	0.4
161.09615	0.7
165.07062	0.6
169.10112	3.3
171.08022	1.1
171.11716	2.7
173.09662	0.5
177.09023	0.5
181.10098	8.3
182.10875	0.6
183.11679	8.0
184.11926	0.5
185.09668	0.5
185.13243	1.3
189.09058	0.8
193.10126	0.5
195.11703	6.1
196.12170	0.5
197.09691	0.5
197.13252	4.1
199.11147	2.2
199.14844	1.4
201.09061	0.8
208.12456	0.6
209.09686	1.7
213.09105	0.5
213.12793	3.6
213.16367	4.7
223.11156	1.7
223.14821	21.0
224.15182	1.0
225.16383	25.4
226.16786	1.0
227.10680	2.7
239.47365	0.4
241.12392	2.2
241.15869	36.7
242.16196	1.5
243.13788	1.5
243.17311	0.6
251.10635	0.4
251.11574	0.6
251.14302	8.3
252.14575	0.5
253.62633	0.5
255.13715	0.7
269.15359	91.9
270.15732	3.3
283.16913	13.9
283.20044	0.8
285.18115	0.7
287.16422	27.7
288.16568	1.0
297.14914	1.5
301.17953	2.4
315.15903	100.0
316.16278	2.9
329.17456	33.2
330.17801	0.6
347.18542	11.8
348.19141	0.6
401.19507	1.0
447.20560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
57.07078	5.7
58.06601	2.0
65.03955	0.8
69.20255	0.6
69.20655	1.2
70.06593	14.5
71.08630	2.3
72.08181	0.3
74.06075	0.4
76.46243	0.3
84.08152	0.4
85.02942	0.5
85.10191	0.9
88.07633	17.6
91.03938	0.3
102.09185	14.4
105.03400	0.5
127.04047	0.4
132.10181	0.6
139.03969	0.3
147.04451	0.4
148.05222	0.3
149.02345	31.0
150.02704	0.6
175.03949	1.1
177.05542	1.2
191.06999	0.4
193.04973	38.7
194.05376	1.2
212.23782	0.9
219.06570	1.1
220.91869	0.4
225.05542	0.7
237.07576	11.4
256.26358	39.7
257.26801	1.2
269.04553	1.4
297.03970	2.0
300.29053	1.0
313.07190	1.9
341.06537	8.1
343.08200	0.7
350.17212	0.3
359.07648	6.8
360.08200	0.5
385.09167	19.8
386.09747	0.9
395.40915	0.3
403.10300	0.5
429.11829	22.7
430.12073	1.0
443.39764	0.3
640.35138	0.9
658.35834	100.0
659.36279	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	658.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80495	1.7
55.05507	3.4
57.07078	52.6
58.99744	1.5
64.78302	1.5
67.05504	5.6
69.07075	10.4
71.08633	55.2
73.06549	7.7
79.05504	5.8
81.07059	6.4
83.08635	4.5
85.10186	30.4
87.04460	9.2
89.06033	100.0
90.08407	1.5
91.05488	4.5
93.07057	3.3
94.60721	1.6
95.05017	1.9
95.08589	3.6
97.10191	2.4
99.11740	6.0
105.07018	1.8
107.08579	4.0
109.10180	2.1
111.11714	4.9
113.13284	6.6
117.09125	9.3
119.08657	2.6
125.13282	2.2
127.14797	3.9
129.07013	1.9
130.08676	2.8
131.07033	2.7
133.08609	69.3
140.85892	1.7
177.11221	23.9
183.21161	2.2
221.13815	5.0
265.16537	2.6
271.26324	6.2
273.56573	1.9
280.63455	2.3
283.17346	2.8
315.28940	7.6
459.28055	7.0
523.26038	1.7
641.48309	11.6
658.42133	5.0
658.50995	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	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.5
69.03446	0.9
69.07063	1.3
71.29917	0.9
79.05479	1.6
81.07075	1.2
85.02926	1.5
87.21783	0.7
91.05486	1.5
93.07057	1.4
94.06562	6.6
95.04984	1.1
98.96340	0.8
106.06565	5.7
108.04495	0.8
108.08126	2.7
108.70509	0.7
116.05005	2.0
118.06545	1.7
120.04486	3.3
120.08112	1.3
121.10132	0.9
122.06052	5.8
130.10982	0.7
134.06052	10.5
136.07541	4.4
137.06033	0.9
140.11398	1.1
144.04446	3.3
144.08080	1.2
146.06024	15.9
148.07584	1.9
149.02347	1.3
150.05515	1.0
160.03905	1.6
162.05525	2.5
164.07077	3.9
165.09094	1.2
172.03951	13.1
172.07648	0.9
174.05518	4.5
176.07018	4.0
182.09714	1.2
183.09251	1.1
184.07541	0.9
184.09874	1.6
190.05016	9.3
196.10011	1.3
197.10738	2.2
199.08641	1.5
199.12286	3.2
204.06573	15.6
204.08318	1.4
206.85152	0.8
207.09224	1.3
208.09952	0.9
209.10785	1.9
210.09338	1.2
211.08682	3.6
211.12338	1.4
212.09393	2.2
213.10318	2.1
223.08672	1.2
224.09300	1.6
225.10239	9.2
226.10913	1.4
227.11795	15.7
228.12155	0.9
236.09512	1.2
237.10222	3.8
238.10835	1.0
239.11819	5.0
241.09769	1.4
241.13406	1.5
243.11246	1.6
249.10233	1.9
251.08195	1.5
251.11844	2.0
252.08992	1.2
253.09694	4.9
255.11269	3.9
264.08948	3.2
265.09799	4.3
266.10455	1.5
267.11307	3.7
269.12842	15.2
271.10779	11.4
277.09698	1.7
278.10474	0.9
279.11279	3.4
281.12781	2.3
283.10803	3.4
284.11548	2.9
285.12344	6.2
286.12930	1.1
287.10696	1.7
287.13892	25.5
288.14294	1.4
293.09210	3.1
295.10791	5.4
297.12231	6.4
301.12155	1.3
311.14789	1.0
313.12247	1.2
315.13889	1.1
316.14545	1.1
321.12387	1.0
323.10248	14.5
324.10815	1.4
325.11972	2.5
326.12827	1.1
327.13882	1.1
328.10754	3.5
328.14447	2.1
329.15250	0.9
334.19180	1.1
340.14465	1.2
341.11261	3.8
342.12454	4.2
342.16272	1.4
343.13348	3.0
344.13849	1.5
355.13031	4.6
356.13950	3.4
357.14694	1.2
358.15393	2.0
359.16040	1.0
370.15576	3.0
371.16318	1.5
372.17160	1.3
373.14157	1.4
376.16663	0.9
378.17874	1.8
380.13995	1.6
382.11859	1.9
383.12363	2.0
384.13263	4.2
385.14090	1.4
386.14789	2.2
386.19058	1.2
390.18130	1.7
398.15005	10.5
399.15826	16.0
400.16461	2.3
404.15985	3.1
406.17178	1.0
412.16385	1.9
414.18213	1.7
416.16000	11.5
417.16464	1.2
418.17474	1.1
428.16406	2.0
430.17654	2.7
440.15967	3.9
446.17078	5.3
448.19110	1.1
458.17117	16.8
459.17426	1.3
490.19742	4.3
521.22064	1.5
537.25366	1.7
545.21161	1.0
547.24011	1.2
549.20959	1.3
563.22833	4.8
565.24194	4.0
567.22260	3.7
581.23877	17.6
582.24170	1.8
591.22394	7.9
597.27020	4.6
609.23456	100.0
610.23657	9.2
613.26300	1.7
641.26025	8.7
642.26221	1.6
659.35834	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	659.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
56.96900	0.2
57.03440	0.3
60.02183	0.2
65.02139	0.2
67.05493	0.3
69.03447	0.5
70.06590	0.6
71.45705	0.3
74.50721	0.2
80.05003	0.4
81.07059	0.3
84.08136	1.2
85.02907	2.1
91.14728	0.2
93.07064	0.5
94.06593	0.6
97.06577	0.2
98.05992	0.3
103.03944	0.6
108.08132	0.3
110.09714	0.7
111.19067	0.2
120.08142	0.5
122.09658	1.2
124.11288	0.5
125.06015	0.4
134.09708	0.3
136.11215	3.7
137.12009	0.2
144.14984	0.3
145.06094	0.3
148.11266	0.9
150.09148	1.3
160.11179	0.4
162.09201	0.2
162.12766	3.6
163.13319	0.3
168.10274	0.6
174.12802	0.3
175.13553	0.2
176.10693	0.5
176.14378	0.6
182.11774	0.7
188.14331	0.3
190.12367	0.3
190.15829	0.3
194.11665	0.5
208.17029	0.2
210.14865	1.3
216.13945	0.3
220.13266	0.3
222.14853	0.4
234.15001	0.3
236.16458	9.3
237.16846	0.3
238.14456	0.3
246.15002	0.4
248.16464	8.5
249.16936	0.3
264.15948	13.3
265.16336	0.5
276.19574	0.5
292.19113	0.4
294.20685	0.8
309.48560	0.2
311.25336	0.2
320.18530	5.3
322.20126	47.5
323.20450	2.0
338.19604	100.0
339.19925	3.9
368.27051	0.2
535.92902	0.3
554.09192	0.2
595.59338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03428	0.3
62.68492	0.2
67.05505	0.2
69.03413	0.9
70.06574	0.4
80.05003	1.1
84.08141	1.3
85.02909	2.4
93.07012	0.6
94.06551	0.6
95.08590	0.3
96.08112	0.4
96.38238	0.3
103.03912	0.6
105.06959	0.3
106.49760	0.2
108.08129	0.3
110.09693	0.7
119.08521	0.4
120.08118	0.6
122.09648	1.1
123.10204	0.2
124.11197	0.6
125.05983	0.5
131.42265	0.2
134.09639	0.7
136.11194	4.6
137.11903	0.5
143.95158	0.3
145.10179	0.3
148.11185	1.1
149.11975	0.3
150.09125	1.1
160.11212	0.6
162.12776	4.6
164.47278	0.3
168.10176	0.9
174.12752	0.4
176.10698	0.8
176.14345	0.5
182.11760	0.7
190.15971	0.4
194.11746	0.8
208.16887	0.4
210.14928	1.5
216.13806	0.3
218.15349	0.4
222.14865	0.3
230.15509	0.3
234.14824	0.6
235.15472	0.3
236.16437	11.1
237.16599	0.4
238.14510	0.4
246.14728	0.4
248.16447	13.4
249.16832	1.0
258.18384	0.3
264.15939	14.4
265.16190	0.3
274.17648	0.2
276.19543	0.7
292.19202	0.4
294.20636	1.0
304.19022	0.4
320.18582	5.3
321.18777	0.4
322.20108	64.1
323.20462	4.9
324.20743	0.3
338.19589	100.0
339.19919	5.1
424.35880	0.2
474.28738	0.3
546.74097	0.3
646.43140	0.3
682.67188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67852	0.8
51.29410	0.7
55.08832	0.8
57.07070	4.6
62.06077	1.2
69.83524	2.3
69.83898	0.9
70.06585	6.0
71.08644	2.8
73.64163	0.7
85.10172	1.0
88.07637	8.4
98.22747	1.3
99.75809	0.8
102.09182	2.5
106.08690	6.4
118.02421	0.7
123.38013	0.7
143.43953	0.8
160.28368	0.7
212.23833	1.3
230.24779	30.1
231.25197	1.3
250.29984	0.7
256.26389	3.3
274.27386	100.0
275.27585	4.1
341.28711	1.2
380.33173	0.8
384.91339	0.9
452.55713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	3.6
58.06569	0.8
70.06590	5.4
71.08611	2.4
80.94848	0.5
83.51434	0.5
85.10162	0.6
88.07628	8.5
91.00794	0.5
91.05484	0.6
102.09163	2.4
105.07053	0.5
106.08653	5.5
121.02864	0.7
183.59770	0.6
212.23706	4.6
222.33925	0.7
230.24760	0.6
244.26277	1.3
256.26416	3.7
272.08740	0.6
274.27390	100.0
275.27682	3.5
391.71741	0.6
530.79663	0.5
573.14410	0.7
576.81610	0.6
630.08411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51605	0.4
55.01864	1.7
56.01379	0.4
56.05019	2.0
60.04514	1.0
67.05489	0.7
70.02951	24.6
70.06571	1.3
71.06120	0.7
71.32457	0.6
72.04502	1.1
74.02439	2.8
76.03632	0.6
76.04002	7.7
80.04997	0.9
82.06561	1.7
83.04970	1.1
83.06107	2.3
84.04503	6.8
84.08111	0.5
84.10310	0.4
88.04005	2.3
96.04502	0.7
99.05580	6.4
100.02087	0.4
103.05049	0.9
107.06058	1.6
108.04471	0.6
109.07629	2.2
110.06077	1.0
111.04427	1.2
112.03932	1.2
116.03447	4.6
117.06602	1.2
121.01069	1.6
123.04385	2.4
124.03900	0.9
125.07106	1.6
126.05489	0.7
127.05029	1.9
128.03384	0.6
129.06593	3.6
130.05013	5.8
131.05002	0.5
135.05516	0.8
136.03912	1.2
137.06003	1.0
137.07072	2.5
139.03914	0.5
141.06699	0.5
145.06075	100.0
146.06392	0.9
147.04414	0.9
149.00555	4.7
153.05475	0.5
153.06578	5.3
155.08128	3.3
160.00681	2.1
161.00545	0.6
163.02104	2.3
163.03844	0.8
165.00055	1.5
167.01674	0.5
169.06078	1.3
171.07635	0.6
175.03929	0.5
179.01605	9.4
181.06044	2.1
183.04242	0.4
183.07605	0.9
189.00058	0.7
189.05507	1.2
191.01582	1.2
192.99506	2.4
193.03174	1.6
193.06082	0.9
194.02705	6.3
195.01105	18.2
199.07127	9.1
201.00024	0.7
201.05449	0.8
203.03374	2.7
207.01106	6.9
208.04327	2.5
209.02632	0.6
211.03905	1.2
211.07132	14.3
218.02661	0.9
219.01158	3.6
231.04326	0.8
236.03743	6.2
237.02156	1.5
239.03474	1.0
253.04863	0.7
254.04724	0.5
254.25006	0.5
256.09241	0.9
257.04477	1.8
257.07623	0.7
264.03253	31.2
274.10306	8.3
281.04501	1.2
294.11365	0.5
297.05402	2.3
299.05508	1.0
308.18643	1.0
319.11700	1.0
321.05386	0.6
322.03793	1.7
339.06454	5.3
347.07001	0.9
365.07986	1.7
393.07462	10.7
405.07489	2.2
409.09143	2.0
411.08212	0.5
423.08743	1.2
425.09433	0.6
428.10245	1.6
433.09186	1.8
450.09171	0.5
451.09866	1.3
468.10675	6.9
491.11551	1.1
494.14529	1.2
513.11639	0.7
531.12830	7.9
585.13861	9.0
642.16571	0.6
660.16980	27.3
661.17194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
55.05508	0.4
55.97064	0.4
56.05027	1.8
60.04509	1.4
62.70340	0.4
63.74293	0.3
65.03915	0.4
67.05492	0.6
69.04545	0.6
69.56442	1.7
70.02956	25.5
70.06571	0.7
71.06113	1.0
72.04522	0.7
74.00648	0.6
74.02450	3.5
76.04003	7.2
76.60777	0.3
82.06563	1.4
83.04974	0.9
83.06092	2.5
84.04505	6.0
85.02878	0.7
88.03977	2.1
96.04478	0.8
99.05579	7.0
100.03980	0.6
102.05558	0.4
103.05051	1.0
107.06071	0.9
108.04465	0.9
109.07626	1.7
110.06041	1.4
111.04430	0.8
112.03973	0.9
116.03440	3.2
117.06618	1.3
121.01064	1.4
124.03910	1.3
125.07117	1.6
126.05531	1.1
127.05033	1.3
128.03471	0.7
129.06587	3.3
130.04985	5.2
135.05544	0.8
136.03957	0.8
137.07088	1.9
145.06079	100.0
146.06416	1.1
147.04329	0.5
148.07785	0.4
149.00566	4.7
149.06030	0.5
152.60457	0.4
153.06578	5.0
154.04991	0.4
155.08145	3.8
160.00647	2.0
163.02132	2.3
163.03853	0.6
165.00084	1.6
166.08624	0.5
167.01582	1.1
169.06100	1.2
171.07539	0.5
173.00595	0.7
177.05513	1.7
179.01610	9.6
181.06078	1.8
183.07657	0.5
187.05377	0.6
189.00073	1.3
190.03238	0.6
191.01591	1.1
192.99493	2.2
193.03223	1.5
193.06160	1.0
194.02696	6.4
195.01118	17.9
199.07144	9.8
199.75449	0.4
200.07732	0.4
201.00003	1.0
205.52690	0.4
207.01126	6.2
208.04315	2.3
209.02570	0.6
211.07112	13.0
218.02721	1.2
219.01126	4.3
228.09888	0.5
231.04482	0.7
236.03772	6.8
237.02156	1.7
256.09274	0.9
257.07697	1.2
264.03256	29.2
265.03671	0.8
274.10327	7.2
297.05438	1.7
318.17294	0.6
319.11713	0.7
321.05524	0.9
322.03864	1.6
336.18066	1.2
338.19641	0.7
339.06555	4.2
339.19986	0.8
340.20227	0.7
347.06918	1.1
348.05493	0.7
365.07974	1.7
393.07483	10.7
405.07617	2.0
411.08398	0.6
423.08438	1.2
428.10104	1.6
451.08112	0.5
468.10675	6.7
483.17953	0.4
531.12756	6.3
542.60614	0.5
544.39758	0.5
567.12634	0.5
585.13867	8.8
586.13568	0.6
613.90448	0.5
642.15302	0.9
643.14606	0.5
660.17010	22.3
661.17365	1.5
663.67462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93408	0.3
55.01875	1.8
55.05487	0.3
56.01386	0.5
56.05028	1.7
60.04506	1.1
65.03925	0.5
67.05493	0.5
69.03411	0.5
69.82099	0.9
70.02952	25.5
70.06576	0.5
71.06099	1.0
72.04502	0.6
74.00647	0.5
74.02437	3.7
76.04001	8.3
76.38564	0.3
80.04996	0.5
81.04565	0.4
82.06585	1.6
83.04959	1.3
83.06103	2.3
84.04025	0.4
84.04503	8.0
84.43655	0.3
85.02890	0.8
85.04012	0.7
88.03983	3.3
93.03399	0.4
96.04494	0.8
97.02887	0.4
98.05985	0.3
99.05579	7.7
100.03955	0.5
103.05043	1.0
107.06055	1.1
108.04478	0.9
109.07633	2.8
110.06029	1.4
111.04416	0.8
111.39114	0.3
111.55530	0.3
112.03947	1.2
113.18823	0.3
114.05499	0.4
116.03449	4.0
117.06610	1.2
121.01102	1.9
123.08041	0.4
124.03941	1.2
125.07111	1.2
126.05499	0.8
127.05048	2.0
129.06592	4.2
130.05000	5.3
131.04875	0.5
135.05530	1.0
136.03920	1.3
137.06190	0.3
137.07108	2.0
139.03882	0.3
141.06528	0.4
142.05037	0.5
145.06076	100.0
146.06458	1.1
147.02542	0.3
147.04362	0.4
148.99480	0.6
149.00562	5.9
149.05988	1.0
151.03894	1.2
153.06604	6.7
154.04999	0.4
155.08163	2.8
156.06589	0.4
160.00668	2.3
161.00577	0.6
162.03752	0.4
163.02133	2.0
163.03926	0.3
165.00090	2.0
166.08690	0.7
167.01683	0.7
169.06122	1.8
171.07657	0.9
173.00571	0.4
175.02188	0.5
175.03835	0.4
177.03265	0.4
177.05428	1.6
179.01598	11.0
181.06065	1.8
183.07666	0.8
187.05389	1.0
189.00044	1.2
191.01611	1.3
192.99544	2.4
193.03220	1.4
193.06073	0.7
194.02693	7.0
195.01108	21.1
196.01389	0.4
199.07127	8.5
200.07738	0.3
201.00018	0.7
207.01102	7.8
208.04250	2.8
209.02701	1.0
209.05740	0.4
211.07132	12.8
218.02789	1.2
219.01129	5.0
231.04366	0.6
236.01564	0.7
236.03740	6.3
236.05951	0.6
237.02068	1.9
256.09366	0.5
257.07782	0.9
264.03250	29.3
265.03491	0.8
274.10315	7.3
297.05408	1.3
301.10620	0.9
308.29730	0.4
318.17114	1.2
319.11850	0.5
321.05469	1.1
322.03928	1.5
322.20395	0.4
336.17993	1.5
338.19666	1.2
339.06500	4.7
339.20099	1.2
340.20239	0.6
347.07037	1.1
348.05344	0.5
362.10645	0.3
365.08139	1.8
393.07474	10.3
405.07413	1.9
411.08557	1.0
423.08710	1.3
428.10031	2.1
451.07959	0.5
468.10623	6.6
513.11737	0.5
531.12762	6.8
567.12708	0.4
585.13843	10.0
586.14154	0.5
642.16150	1.0
643.14551	0.7
660.17023	26.5
661.17291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
58.65438	0.5
68.99788	3.0
70.06596	2.8
72.08107	0.6
83.04939	1.1
84.08128	0.6
86.09680	1.4
95.04958	0.6
105.03358	0.7
109.02840	0.9
110.07106	0.6
111.04408	1.0
119.04912	3.0
122.60658	0.6
123.04427	29.8
129.10240	0.9
131.04915	0.6
133.02815	0.8
135.04437	2.9
137.02338	12.4
137.05919	0.6
139.03891	1.8
141.06952	1.8
143.04930	0.5
145.06171	0.6
147.04413	8.7
151.03891	1.2
155.04857	0.8
157.06432	1.4
161.02278	0.8
161.04713	0.8
161.05986	12.3
163.03897	6.5
165.05487	3.5
169.06464	3.8
173.05977	3.5
175.03897	9.5
175.07553	1.3
181.06384	0.6
183.04364	1.5
185.05978	1.4
187.07484	1.7
189.05534	3.1
197.05991	6.8
201.05449	6.7
203.03375	9.6
203.07001	1.8
207.04402	0.5
211.03922	1.9
213.05632	0.6
215.03491	0.6
215.07031	7.0
225.05452	6.0
227.06902	0.8
229.04951	12.6
239.07008	0.6
242.05801	0.8
243.04210	1.0
243.06554	13.8
244.07224	0.5
245.04456	1.0
247.06067	1.1
253.04973	3.5
255.06482	4.0
257.04428	5.3
258.05008	0.6
259.06012	0.7
267.06430	0.6
271.06000	71.0
272.06366	2.7
273.07562	7.1
281.04608	0.7
283.05997	3.0
285.07578	0.5
295.05786	0.9
299.05487	97.1
300.05869	3.7
311.05496	5.2
317.06540	2.8
323.05362	1.4
340.21240	0.9
377.10226	2.2
405.09619	6.5
409.09326	1.4
423.10681	1.6
433.09155	8.3
434.09775	0.7
451.10214	1.9
473.10825	4.7
491.11826	100.0
492.12177	7.1
503.11588	0.9
515.11945	0.6
610.77777	0.6
625.15894	1.0
643.16602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	1.3
68.05032	3.3
70.06591	1.8
74.02439	1.2
80.05020	6.6
82.06590	1.3
85.02906	1.2
86.06074	0.4
86.09718	1.1
94.06610	0.5
105.03356	1.0
107.04993	0.8
111.93472	0.4
114.05531	3.2
119.04941	1.0
120.04474	1.2
125.20767	0.4
128.07114	1.1
128.98802	0.4
131.04942	0.6
133.02878	0.9
137.06003	0.5
149.07523	0.6
157.06502	0.5
157.65942	0.4
171.04468	0.7
175.03976	0.9
181.06479	1.0
185.05969	0.4
187.07468	0.5
195.08078	1.6
197.05933	1.0
199.03874	5.6
199.07549	1.0
201.05515	0.5
207.08218	0.6
209.06004	1.1
209.07898	0.6
215.07030	0.5
223.07518	3.5
227.07011	5.5
235.07527	0.6
237.05508	0.5
239.07028	1.6
241.08507	0.7
245.09770	0.6
247.07578	0.8
251.07039	20.2
252.07504	0.9
253.08524	0.8
255.06514	10.1
255.21115	1.0
256.07129	1.6
259.09698	0.8
261.12726	1.6
262.12476	0.7
265.08615	2.1
267.06497	3.8
269.08026	2.5
273.09030	0.9
273.22379	1.1
275.07025	12.9
276.07681	1.5
277.08633	1.3
279.06522	1.0
280.38510	0.4
291.10080	4.0
293.08087	14.2
293.11148	0.6
294.08459	0.7
295.09738	1.0
300.10190	1.4
301.08640	1.2
303.10150	0.7
308.10309	1.0
309.11032	0.9
310.92154	0.5
318.11221	3.8
319.09622	0.8
319.22565	0.8
320.12793	1.1
321.11252	1.7
336.12234	1.4
346.10696	1.0
347.09332	0.6
364.11774	24.9
365.12271	1.0
382.12845	100.0
383.13092	5.5
403.13293	0.7
530.19153	1.0
660.23621	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	660.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
53.38467	0.6
55.01872	5.1
55.05511	12.6
57.03440	19.0
57.07070	1.8
59.04995	1.8
59.72852	0.7
61.02916	2.9
65.03934	2.2
66.03630	0.7
67.05506	30.8
69.03438	1.0
69.07066	9.8
69.91963	1.5
71.01350	3.1
71.05000	3.7
72.14478	0.7
73.02904	0.8
79.05494	29.0
81.03420	10.9
81.07059	21.1
83.01343	4.4
83.04988	11.8
83.08620	9.5
85.02916	5.1
85.06545	2.7
85.65979	0.8
91.03975	1.2
91.05483	14.8
93.07046	41.3
94.07383	0.7
95.04983	7.1
95.08604	7.4
97.02897	2.8
97.06535	11.2
97.10172	7.6
98.23386	1.2
99.04457	1.7
99.08104	1.6
105.04543	1.5
105.07031	8.1
107.04971	6.5
107.08600	26.8
109.06514	4.8
109.10164	4.8
111.04456	1.8
111.08073	1.9
117.07026	6.5
119.08570	9.0
121.02850	1.3
121.06492	3.4
121.10147	9.6
123.08057	6.3
125.06009	1.5
125.09653	1.8
129.07050	0.9
130.07787	0.7
131.08571	2.2
133.10115	3.5
135.08066	1.8
135.11691	43.7
136.12125	0.8
137.09607	1.6
139.07544	0.7
143.08551	0.8
145.10115	15.9
147.08075	1.0
153.12733	3.1
155.08597	0.8
163.11186	20.0
163.62633	0.6
173.09613	2.0
181.12234	7.8
184.07379	0.8
191.10680	1.3
199.13300	1.5
209.11717	3.0
227.12770	2.3
255.15919	71.6
256.16309	1.8
265.07239	0.8
265.14365	1.5
267.16000	0.9
274.27414	2.3
283.15414	38.3
284.15768	1.9
316.51578	0.7
445.25797	3.8
463.26871	100.0
464.27301	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01869	1.2
55.05516	5.1
57.03421	1.8
57.07085	0.7
61.02918	4.0
67.05199	0.6
67.05506	5.9
69.03426	7.9
69.07065	1.6
69.80050	1.6
69.95892	0.5
70.06583	0.6
71.05003	1.4
73.00925	0.5
73.02910	1.7
76.68987	0.4
79.05486	4.0
79.35956	0.5
79.85345	0.4
81.03426	3.2
81.07053	14.4
83.08620	2.3
85.02900	46.9
91.03939	1.9
91.05476	4.0
93.07047	8.3
95.08601	12.2
96.08936	0.7
97.02888	11.2
97.09590	1.0
97.10165	12.3
98.05996	0.5
99.04453	1.9
103.03925	0.6
105.07025	9.2
107.08595	7.0
109.02882	3.9
109.10155	10.2
115.03938	0.8
117.07007	2.4
119.08572	7.4
121.10144	7.2
123.11711	4.0
126.82355	0.5
127.03907	12.1
129.06992	1.1
130.55824	0.6
131.08551	6.1
133.10135	8.5
135.11670	10.1
135.13255	0.6
137.05981	2.4
137.13206	0.8
143.07492	0.6
143.08598	1.4
145.04953	23.8
145.10124	9.3
146.05299	0.7
147.10571	1.0
147.11687	14.6
148.12007	0.6
149.13249	10.3
150.06750	1.2
151.07611	0.7
151.11179	1.9
157.10085	1.3
159.11685	19.1
160.12061	0.5
161.13251	14.3
163.06015	10.8
163.14803	2.3
165.09105	1.3
165.12740	5.2
167.07048	1.9
173.13257	10.4
175.14799	7.7
185.13261	1.7
187.14809	31.5
188.15144	0.9
189.16383	1.5
191.14259	0.8
199.14836	2.6
201.16357	8.5
213.16335	1.3
215.17934	0.8
218.70927	0.6
227.18002	3.2
227.19992	0.6
257.22635	13.7
261.79944	0.6
276.19470	0.6
283.24185	100.0
284.24582	5.0
285.14929	0.8
301.25244	45.3
302.25525	2.2
306.66403	0.6
325.11270	2.2
463.21637	0.8
660.30151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.3
55.01863	8.8
55.05511	35.6
55.37260	4.3
57.03432	21.6
57.07084	5.1
67.05506	74.1
69.07072	55.2
71.05000	25.2
71.45121	5.5
79.05493	82.2
81.02956	8.0
81.03418	94.0
81.07057	70.4
83.04964	15.6
83.08620	33.5
84.95563	4.3
85.06522	5.8
88.21820	4.7
91.05481	68.9
93.07051	56.6
95.04967	42.7
95.08595	28.6
97.06533	78.2
97.10154	11.5
98.36108	4.1
101.06021	4.8
103.05455	5.0
105.04498	6.0
105.07034	53.2
107.04947	17.4
107.08604	36.1
109.06529	24.4
109.10149	17.0
111.08095	10.6
115.05437	5.0
115.07539	32.6
117.07046	25.3
119.08599	34.9
121.06493	12.6
121.10160	26.0
123.08031	11.0
123.11754	5.5
125.09598	7.3
129.07016	26.2
131.04897	5.1
131.08560	26.2
133.06500	9.8
133.10138	16.7
135.04436	5.8
135.08035	16.7
135.11673	14.7
143.08540	15.1
145.06461	7.2
145.10136	21.4
147.08037	15.5
147.11682	18.6
149.05978	5.2
149.09605	16.5
149.13237	5.3
151.11179	5.1
155.08560	6.4
157.10143	22.6
159.08124	7.2
159.11734	11.7
161.09637	11.0
163.09099	4.3
163.11182	10.1
169.10167	5.8
173.13248	10.2
175.11191	17.7
181.10283	6.3
183.11815	6.9
189.11249	7.2
193.12254	33.4
199.14877	6.1
211.13235	5.1
212.64867	4.9
217.15874	11.3
219.13779	5.6
222.73308	4.7
223.13319	4.9
227.12778	10.2
245.19289	4.7
267.15891	100.0
269.17453	14.2
273.18555	31.3
291.19479	15.6
336.21289	4.4
347.22067	11.0
365.22873	9.3
369.24164	6.2
429.26633	4.4
443.27789	6.5
447.27872	7.1
461.28900	41.0
483.30490	10.7
493.31241	12.0
499.30011	6.0
539.33533	8.0
557.34698	33.0
575.35803	7.0
660.32562	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05503	1.0
57.90536	0.7
63.97437	0.8
65.03949	3.8
67.05504	3.0
68.99792	1.2
69.58701	2.0
69.59084	1.7
75.04498	1.0
78.04710	1.9
79.05492	4.6
81.03423	2.2
81.07060	2.2
83.08604	0.8
88.07638	0.8
89.03924	1.9
89.06043	0.9
91.05475	7.5
93.03365	0.7
93.07047	2.5
95.04970	3.1
95.08624	0.8
97.06531	1.2
103.05463	21.5
105.03399	1.7
105.07036	15.5
106.04170	15.8
107.04981	1.2
107.08575	1.7
109.06548	1.8
111.04456	1.2
115.05462	4.7
117.03387	6.6
118.04137	2.8
119.04945	1.8
121.02867	74.0
121.03942	3.5
121.06481	5.6
121.10108	1.6
128.06288	0.9
129.06993	1.9
131.04930	18.9
132.05721	5.2
133.05516	1.7
133.06476	17.1
134.03636	2.2
143.04971	0.9
143.05997	1.1
145.06337	0.8
147.04375	1.5
148.05214	0.9
149.05983	25.1
155.03506	0.9
158.20882	0.8
159.04402	2.0
159.08022	1.8
160.05232	2.1
161.05977	37.9
162.06746	1.1
163.07584	1.1
167.07054	2.2
176.04449	0.8
177.05467	100.0
178.05905	1.7
179.07053	4.5
187.07584	0.9
191.07034	7.5
192.07828	6.5
193.08597	48.1
194.08983	1.0
207.06488	6.7
215.07063	9.5
274.27414	7.3
275.27805	1.5
277.08563	1.6
287.83951	0.9
315.08646	0.9
319.09692	0.9
337.10690	17.8
337.14783	1.0
369.13361	19.0
370.13785	0.9
388.21066	1.2
465.28363	0.9
507.16229	1.8
661.31549	2.3
662.32556	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	662.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.1
51.02357	0.2
51.53071	0.1
53.03916	0.4
55.01843	0.3
55.05485	0.2
56.23439	0.1
63.02335	0.3
67.05476	0.2
69.89281	0.4
77.03917	0.8
79.05483	1.5
81.07027	0.3
89.03901	0.2
91.05479	1.3
92.02611	1.2
95.04424	0.2
95.04965	2.6
95.08605	0.2
98.22688	0.2
102.04698	0.2
103.05466	14.8
104.05793	0.2
105.03405	0.7
105.04512	1.7
105.06350	0.3
105.07026	5.1
107.04926	0.4
109.06422	0.2
115.05437	2.0
117.07024	0.2
119.04939	1.5
121.02811	0.2
121.06506	0.4
123.11649	0.2
125.05996	2.2
128.06207	0.2
130.04131	0.4
131.04924	27.8
132.05258	0.7
133.06491	3.6
134.11621	0.1
135.04413	100.0
136.04738	2.3
137.05974	2.4
143.06032	0.7
145.06474	0.2
146.07253	2.7
147.04413	2.4
149.05991	0.5
151.07565	0.3
153.05489	0.5
159.08075	0.4
160.05197	0.2
161.05975	9.7
162.06703	0.6
163.07542	10.0
164.07890	0.2
165.06931	0.2
168.05792	0.3
171.08057	0.2
175.07617	0.2
177.05431	0.9
179.07019	1.4
187.07584	0.4
191.08568	0.2
199.07547	2.9
202.07794	0.4
203.08574	1.3
204.09410	0.2
219.08118	0.3
220.08894	0.3
231.08040	1.5
232.08694	0.3
235.11281	0.3
237.09126	0.2
248.08417	0.6
259.07501	1.4
260.08429	0.4
263.10764	0.8
276.07928	0.4
291.10144	6.8
292.10779	0.4
295.13452	0.2
311.12903	0.3
313.10699	1.4
313.13571	0.2
323.12732	2.8
324.13428	0.3
331.12024	0.6
337.27615	0.6
351.12509	0.6
443.14880	7.3
444.15787	0.6
475.17670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83979	0.3
53.03936	0.9
57.46085	0.3
63.19678	0.3
66.31052	0.3
69.01546	0.3
69.62674	1.1
69.73026	0.3
77.03923	0.8
79.05489	1.3
83.76450	0.3
84.12217	0.3
91.05482	0.8
92.02638	1.8
95.04958	4.2
105.03443	0.3
105.04510	1.3
105.07008	0.4
105.14509	0.3
107.04985	0.4
119.04939	0.9
121.06519	0.4
125.05994	3.4
128.06259	0.6
129.07004	1.3
135.04416	100.0
136.04773	1.8
137.05992	4.6
147.53992	0.3
151.03938	0.4
151.07449	0.3
157.06538	0.6
161.05949	0.5
171.08037	0.5
174.06772	0.3
175.07449	0.3
179.07104	0.3
179.65459	0.3
185.05954	1.2
187.07549	0.6
189.09085	0.6
199.07533	0.5
202.07791	1.1
203.08533	3.4
215.08534	0.3
217.08614	1.0
219.08052	0.5
220.08838	1.7
231.08049	4.8
232.08786	1.1
235.11107	0.4
241.11113	0.4
245.09589	0.4
247.07625	1.1
248.08327	5.9
249.08968	0.8
259.07510	1.4
260.08286	1.1
261.09106	0.7
262.09946	0.6
263.10678	4.7
265.08609	0.9
276.07809	3.4
277.08640	1.4
278.05753	0.3
291.10141	28.1
292.10760	2.0
293.08118	2.5
304.28333	0.4
305.11606	0.5
307.09720	0.4
308.10358	1.8
309.10889	0.4
321.11172	0.4
323.12766	37.7
324.13126	1.6
341.13861	1.3
341.78250	0.3
353.13739	1.3
369.19653	0.4
445.16089	0.4
475.17389	2.5
507.74478	0.3
610.04633	0.3
662.38861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01868	2.3
57.03457	0.7
65.03923	3.0
67.05494	1.4
69.03427	1.3
70.06570	0.6
70.61086	0.8
75.04472	2.2
77.03902	0.8
78.04710	2.1
79.05505	4.4
81.03444	0.9
82.04208	1.0
84.08122	1.3
85.02906	4.0
89.06046	0.8
91.05486	8.3
93.03404	8.8
93.07039	3.0
95.04981	4.4
97.06531	2.6
103.05463	9.7
105.03361	0.7
105.04485	1.1
105.07034	4.6
106.04178	15.1
107.04958	5.6
107.24444	0.8
108.07419	0.7
109.06500	1.0
110.03725	0.8
111.04427	1.1
115.05448	3.5
117.03416	0.9
117.07009	2.3
118.04153	2.9
119.04924	1.2
119.08601	0.6
121.06509	18.5
122.09615	0.8
123.04426	2.6
124.05176	1.7
125.06005	6.5
129.07008	1.4
130.04109	0.9
131.04942	11.1
132.05728	0.7
133.02795	0.8
133.06491	4.6
134.03616	2.6
134.09604	0.6
135.04384	1.2
135.08063	1.1
136.11179	0.8
137.05988	5.1
137.27324	0.6
138.06747	0.7
139.07524	1.9
145.02832	1.5
145.06512	2.9
147.04402	0.9
147.07950	1.2
148.05196	6.9
149.05975	30.6
151.03946	2.2
151.07520	2.2
152.04628	1.2
153.05470	5.2
153.09103	8.5
155.06015	0.8
159.04381	0.8
161.05968	5.2
163.03931	1.6
163.07549	10.6
163.69389	0.6
165.05475	0.8
166.06151	0.8
167.07043	33.0
168.07350	1.1
171.06500	1.7
173.05960	4.1
174.06766	0.7
175.07475	2.0
176.04665	1.5
177.05479	19.9
179.07014	1.2
181.04962	39.2
181.08574	16.6
181.10075	0.5
183.06548	0.6
187.07573	1.3
190.06224	1.1
191.07036	44.1
192.07590	1.2
193.04884	0.8
193.08600	1.4
195.06543	2.1
201.05444	0.9
203.07047	1.4
205.08543	2.1
207.10159	1.5
209.08087	100.0
210.08510	1.8
217.08618	1.7
219.08253	0.8
219.10074	3.1
221.08093	1.0
233.08043	3.6
235.07507	1.1
235.09685	2.1
263.06680	1.0
263.09128	9.2
266.09033	0.7
267.10181	1.8
281.08310	0.7
295.09717	0.7
297.11301	1.6
307.09738	0.9
324.10352	0.6
325.10669	2.1
339.12103	0.8
352.01886	0.7
352.05765	0.7
357.13330	2.5
366.71048	0.7
367.11530	1.3
371.15131	1.0
385.12750	5.3
399.14410	2.1
417.15469	11.1
458.47736	0.6
609.22620	0.9
662.34308	1.9
663.24066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39706	1.5
55.01865	2.5
60.95706	1.4
65.03939	3.6
67.09264	1.2
69.03451	1.5
75.04459	2.1
78.04706	2.6
79.05482	3.2
81.03396	2.0
85.02908	4.0
89.03881	1.5
91.05502	7.3
93.03426	8.0
93.07033	5.2
95.04951	3.9
97.06509	2.1
103.05480	11.3
105.04510	1.8
105.07036	6.8
106.04168	17.9
107.05006	6.2
109.06477	1.3
115.05439	2.4
115.86818	1.4
117.07008	3.8
118.04170	2.5
121.06503	19.5
123.04435	2.6
124.05248	1.7
125.06023	6.5
131.04916	14.9
131.08603	1.4
133.02898	1.4
133.06497	4.9
134.03665	2.4
135.04372	2.4
137.05978	5.6
139.07616	2.2
140.15451	1.2
145.06429	2.7
148.05199	6.5
149.05981	30.3
151.03908	3.5
151.07526	2.7
153.05495	3.2
153.09102	10.8
161.05984	4.7
163.07571	11.9
167.07034	39.0
171.06522	1.4
173.05966	3.3
177.05469	22.1
181.04971	36.6
181.08574	19.1
187.07635	1.9
191.07034	44.0
192.07506	1.9
193.08589	1.8
195.06543	3.0
203.07037	2.0
205.25003	1.5
209.08084	100.0
210.08467	2.7
217.08659	1.7
219.10129	2.7
233.08081	2.3
235.09714	2.1
245.07991	1.5
263.09109	9.3
308.67007	1.5
325.10745	1.7
327.11972	1.5
357.13159	3.6
383.11505	1.5
385.12546	7.5
399.14572	1.6
417.15366	9.8
549.98163	1.3
662.35437	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	662.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33593	0.5
53.03928	0.8
55.01854	1.0
55.05501	2.3
55.09097	0.5
57.03436	3.0
61.02924	7.2
61.27253	0.5
62.49139	0.5
67.05210	0.5
67.05498	5.9
69.03429	9.0
69.07034	1.8
69.32884	3.0
70.06555	0.6
71.04980	1.3
73.02888	2.4
79.05484	4.5
81.03418	3.7
81.07056	14.8
83.04906	0.7
83.08591	2.1
85.02902	51.2
87.04437	1.6
91.03950	2.4
91.05466	5.4
93.07041	8.0
95.08024	0.8
95.08601	13.1
97.02885	12.5
97.10159	5.3
98.22763	0.9
99.04417	1.6
105.07028	8.0
107.08585	8.5
109.02881	5.1
109.10148	13.1
111.08070	0.7
111.11708	0.7
117.07011	1.4
119.08581	8.9
121.10136	10.2
123.11705	7.8
127.03905	11.3
131.08554	4.2
133.10123	7.7
135.11685	11.6
137.05917	1.0
139.11209	1.3
143.08614	0.8
144.06567	0.7
145.04958	18.0
145.10094	2.5
147.11670	12.7
149.13249	9.6
150.13454	0.7
151.11165	1.4
157.10181	0.8
159.11647	2.1
161.13254	13.6
162.07619	1.1
163.06010	5.4
163.14792	2.1
165.12735	1.7
173.13240	1.9
175.14806	14.3
176.15242	0.7
179.14297	1.5
180.08714	6.1
183.11562	0.6
185.13347	1.3
187.14789	4.4
193.15907	2.7
199.77966	0.5
201.16351	3.7
211.14848	0.5
213.16367	2.5
215.17943	1.8
227.17944	1.0
241.19524	3.3
243.21100	1.5
255.21507	0.6
257.22635	55.1
258.22992	2.6
259.20630	1.0
267.21094	3.1
275.23688	87.0
276.24005	2.7
285.22119	8.2
287.20239	1.0
303.23203	10.0
310.42169	0.5
321.24225	100.0
322.24622	4.6
325.11508	0.7
362.27011	1.8
403.53189	0.5
444.14783	0.6
465.28415	4.1
512.88300	0.5
627.24713	0.5
662.33905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01879	3.7
55.05514	21.9
57.03442	21.2
57.07102	1.7
61.02940	5.4
61.28034	1.2
64.21645	1.0
65.03932	2.1
67.05507	49.6
69.03438	4.8
69.07071	14.9
71.01358	2.9
71.04995	4.0
73.02920	1.3
77.03941	1.2
79.05500	48.3
80.05835	1.2
81.03421	61.5
81.07059	34.5
83.04987	20.6
83.08620	24.8
85.02911	20.6
85.06547	5.4
87.04470	1.2
91.03996	1.6
91.05488	33.3
93.07044	47.1
95.04968	28.3
95.08615	13.7
97.02882	6.0
97.06530	10.4
97.10174	11.6
98.22672	2.2
99.04442	2.1
99.08113	3.0
105.07036	21.4
107.04958	7.9
107.08595	31.5
108.08973	1.1
109.06514	5.5
109.10172	6.4
111.04464	2.0
111.08081	10.5
115.05478	1.6
117.07027	4.7
119.08595	21.4
121.06513	2.9
121.10154	11.7
123.08074	3.1
123.11708	2.2
125.09650	2.8
129.07005	10.4
131.08562	11.5
133.06483	3.1
133.10129	13.3
135.08035	1.4
135.11700	40.2
137.09668	2.9
142.07794	3.0
145.10124	10.9
147.08081	2.7
147.11716	12.1
149.09671	5.4
153.01840	3.0
153.12727	1.5
157.10139	16.3
163.11192	8.3
165.12807	1.5
175.11200	12.4
181.12245	10.7
193.12244	41.7
199.13402	2.0
211.13290	45.7
212.13728	1.4
227.12735	2.0
239.16536	2.8
255.15924	77.0
256.16235	2.2
267.15930	27.1
283.15378	2.7
285.16968	27.2
421.25647	2.7
447.27451	81.9
448.27814	3.9
465.28528	100.0
466.28766	4.4
609.32715	1.3
630.21863	1.3
662.32294	3.0
663.33563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.05513	11.2
57.03437	12.5
57.07075	5.9
57.74992	0.6
59.04992	2.9
61.02927	5.4
67.05504	68.2
68.05828	0.7
69.03449	0.8
69.06718	1.3
69.07072	17.2
71.04982	2.5
71.08621	2.4
72.94730	0.6
73.02935	1.1
79.05493	5.2
81.03420	0.6
81.07055	21.4
83.04977	1.0
83.08622	16.9
85.02902	3.9
85.06537	2.5
87.04462	4.2
91.03939	1.2
91.05471	5.3
93.07047	8.9
95.04951	1.2
95.08604	14.7
97.02859	2.1
97.06506	2.2
97.10168	8.0
98.22707	1.6
99.04408	0.8
101.05965	0.8
105.07060	1.1
107.08592	6.5
109.10157	65.8
110.10468	1.0
111.08080	4.8
111.11725	2.5
112.05598	0.7
119.08582	5.5
121.10155	8.1
123.11723	1.5
125.09630	1.0
135.11678	6.7
137.09610	2.7
137.13161	1.4
139.11140	0.7
143.55571	0.7
145.10139	1.0
149.13266	2.1
153.12776	0.6
155.10667	5.1
163.14850	1.1
173.11743	19.1
184.07327	1.8
187.07672	0.7
219.21112	1.5
229.14348	100.0
230.14607	1.9
237.22116	2.5
311.25800	73.0
312.26031	2.7
322.91208	0.7
417.62851	0.8
443.65427	0.6
465.35748	59.4
466.36237	3.1
662.44507	1.0
665.22571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11722	0.2
55.05507	0.5
57.03453	0.4
61.02918	0.6
67.05496	2.1
69.03429	0.4
69.07064	0.5
79.05499	1.7
81.03422	1.7
81.07065	1.4
83.04990	0.6
83.08640	0.6
85.02888	0.5
85.88239	0.3
91.05485	0.9
93.07050	1.8
95.04977	1.2
95.08618	0.6
97.02920	0.3
97.06512	0.7
97.10198	0.4
105.07047	0.8
107.04951	0.4
107.08618	1.2
109.10196	0.6
111.73125	0.3
119.08610	1.1
121.10159	0.5
123.07995	0.4
131.08591	0.9
133.10130	0.4
134.21808	0.3
135.11710	0.9
136.12071	0.4
140.26761	0.3
145.87527	0.3
148.00453	0.3
149.02335	1.8
150.02730	0.6
151.11192	0.3
154.35718	0.3
176.10257	0.3
193.05052	0.8
193.12338	0.5
194.05293	0.3
211.13518	0.4
243.08466	0.8
243.94487	0.3
255.15932	1.9
256.16299	1.4
267.16058	1.0
268.16156	0.6
273.14627	0.3
413.17859	0.9
415.25128	0.3
429.11917	0.8
430.12427	0.6
445.25763	2.4
447.27563	0.9
448.27704	3.1
466.29172	1.1
473.14484	0.3
474.14978	1.3
501.28174	2.6
635.34283	0.6
645.33521	0.4
663.33490	100.0
664.33868	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	663.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52369	0.8
53.03944	0.7
55.05508	1.6
57.03436	1.4
59.43478	0.7
61.02922	2.5
61.69027	0.7
67.05197	0.8
67.05510	4.5
69.03432	2.9
69.07055	0.9
73.02924	3.0
75.60749	0.7
79.05485	5.3
81.03420	3.1
81.07055	3.3
83.04985	1.6
83.08634	1.1
85.02904	2.6
91.03967	1.8
91.05499	3.1
93.07056	5.3
95.04977	2.7
95.08620	2.8
97.02899	2.4
97.06549	1.2
97.10211	0.9
98.22640	1.8
101.02383	1.7
105.07033	2.4
106.46502	0.7
107.05005	0.9
107.08572	3.6
109.10157	1.2
117.32498	0.7
119.08606	1.9
121.02874	1.3
121.10161	1.1
131.07393	0.9
135.11670	4.3
143.08542	0.9
145.10103	2.1
158.99498	0.7
163.11240	1.4
167.10577	0.7
177.05406	1.7
181.12196	1.1
184.13193	0.7
194.07674	0.8
221.11504	1.1
243.08553	1.9
247.13039	0.9
255.16042	1.0
268.62082	0.8
320.40228	0.7
388.21207	1.6
439.19336	7.1
465.20889	5.6
589.99152	0.9
646.33344	1.1
663.33447	100.0
664.33453	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	663.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69388	0.4
57.43480	0.5
66.28236	0.5
69.03419	3.9
70.06602	1.6
70.64865	0.5
71.04984	0.9
77.67251	0.5
77.86398	0.6
85.95545	0.6
88.48654	0.4
94.06600	0.8
96.08096	0.8
97.02877	1.2
102.42839	0.5
110.09676	0.7
111.08080	23.2
122.09644	0.7
125.69700	0.5
136.06190	5.9
138.80591	0.6
180.13754	0.6
182.11804	1.0
193.83711	0.6
206.15337	2.8
208.13399	1.0
230.13193	0.5
234.14879	20.2
235.15176	0.8
262.17917	0.8
264.15875	1.0
280.19040	3.9
308.18558	38.2
309.18866	1.5
320.18637	2.4
326.19617	100.0
327.19852	3.6
338.19623	12.1
339.19724	0.6
428.03778	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4144
Annotation	Unnarmicin C
Peak:m/z	Relative Intensity
56.10988	0.6
56.96466	8.6
56.96776	2.2
61.43608	0.5
67.05386	1.7
67.05706	0.6
67.80181	0.5
69.06968	1.0
71.95177	1.0
79.05433	0.6
81.06931	1.4
84.95930	0.7
85.01871	0.5
85.97124	0.5
91.05359	0.7
93.06936	0.6
93.56511	0.5
95.08479	0.6
97.96689	1.8
98.97426	1.5
98.98038	0.4
98.98319	0.4
105.06879	1.8
105.07549	0.6
110.97549	5.5
111.98206	1.6
111.98901	0.5
113.99810	0.7
115.97736	0.6
116.98520	0.9
123.98244	0.5
124.99016	1.1
125.05843	0.7
128.98611	5.8
129.99376	5.4
131.00046	0.6
137.05902	0.9
141.99245	1.9
143.00011	2.2
145.02707	0.7
146.99644	2.9
148.00459	2.9
149.01175	0.6
151.07370	1.0
152.00034	0.5
153.02110	0.9
153.05309	1.5
155.00006	0.9
160.00296	1.8
161.01128	1.1
167.03761	0.6
171.03273	3.3
172.00275	1.4
173.01015	0.6
173.04732	0.5
175.02640	1.0
177.05377	1.1
181.05220	1.2
182.99600	0.9
183.03186	1.2
183.06772	0.6
184.03920	1.7
185.01071	1.6
185.04877	2.4
186.01830	2.0
189.04329	3.2
190.01387	1.1
196.99573	0.7
197.01198	6.9
197.04826	1.2
199.02644	0.6
199.06378	6.4
200.03453	0.6
201.00549	1.7
201.04242	1.6
201.07867	0.7
202.05008	1.1
203.02148	1.2
203.05864	2.3
204.02936	1.4
204.06567	0.6
209.04756	1.4
209.08435	0.6
211.02695	0.9
211.06320	1.7
212.03510	1.2
213.07974	3.4
215.02284	7.3
215.05850	0.9
217.03674	0.6
217.07436	6.0
221.04689	1.6
222.07910	1.2
225.04242	0.5
225.07993	0.7
225.11638	0.5
227.05910	6.0
227.09390	1.8
228.06624	0.9
229.03864	1.1
229.07439	8.4
230.04460	0.9
230.08089	0.6
231.09068	2.4
233.03285	0.7
238.03627	0.8
239.05881	8.4
240.06670	8.0
241.07272	0.9
241.11035	1.0
243.08984	0.8
244.06119	1.4
245.06937	2.8
245.10576	0.9
247.08528	4.8
250.07431	0.8
251.10583	2.2
251.13008	0.7
252.08997	0.8
253.07510	0.5
255.12463	0.8
256.86987	0.5
257.06967	24.9
258.07745	33.2
259.08286	1.9
262.07391	0.8
272.05545	1.2
275.07996	5.8
276.08817	12.3
280.08478	2.0
281.09293	3.7
291.16245	2.6
295.12045	1.0
309.17325	5.2
315.16412	1.1
327.18512	1.0
333.17328	24.6
337.27405	4.9
351.18390	77.7
352.18576	3.0
369.19473	100.0
370.19748	3.3
373.14401	0.6
374.19968	5.0
387.20425	5.9
392.21051	19.1
393.21121	1.3
417.17178	0.5
426.21793	0.9
501.30539	2.0
518.65460	0.5
583.21814	0.6
645.40826	1.8
663.41718	99.8
664.42413	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	664.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87780	1.3
55.05513	5.7
57.03431	9.2
59.05003	1.5
61.02926	3.0
67.05510	51.7
69.03424	1.3
69.07065	6.3
71.01348	1.9
71.05003	13.8
79.05505	19.7
81.03430	3.6
81.07065	14.4
83.04984	4.4
83.08633	2.5
85.02930	1.6
85.06564	2.6
91.05485	11.6
93.07053	24.2
95.04968	4.1
95.08600	8.7
97.02874	1.6
97.06536	7.6
97.10188	4.6
105.07024	3.1
107.04976	1.4
107.08598	19.2
109.10165	29.2
111.08068	3.4
117.07005	3.2
119.08581	7.3
121.02909	1.4
121.06446	1.4
121.10149	4.8
125.05068	1.3
125.09591	2.3
131.04880	1.7
133.10091	2.7
135.11696	33.7
137.09639	5.6
145.10144	7.4
163.11195	4.2
167.04462	1.4
173.11699	7.1
174.14696	1.4
175.14618	1.4
181.12230	5.1
198.47458	1.3
229.14381	2.0
255.15935	14.7
275.66772	1.4
278.25076	1.3
287.18536	4.3
409.20490	1.7
409.25870	39.6
423.27304	5.2
435.27414	100.0
436.27728	5.2
467.30029	23.4
468.30328	2.4
665.33582	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	664.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17702	0.4
51.66530	0.3
55.01874	0.4
55.05512	7.1
57.03439	12.1
57.07079	24.9
59.05006	3.5
61.02934	4.4
65.03942	1.3
67.05508	69.5
68.05829	0.8
69.03423	1.2
69.07074	5.3
69.59997	1.4
71.04999	2.0
71.08637	15.9
73.02917	1.3
79.05493	1.6
81.03438	0.6
81.07062	15.8
83.04993	0.5
83.08628	9.2
85.02901	5.1
85.06542	1.7
85.10188	8.1
88.88234	0.4
89.06043	0.8
90.23415	0.4
91.03946	2.1
91.05485	3.7
93.07056	2.4
95.08614	14.1
95.09221	0.8
97.02899	2.7
97.10166	2.4
98.22768	0.5
99.08092	0.8
99.11720	0.4
101.06055	0.5
103.07569	0.7
107.08632	1.8
109.10162	58.5
110.10486	0.9
111.08104	2.1
111.11642	0.4
113.13354	0.4
119.08585	3.9
123.11691	2.1
129.06999	0.6
137.09619	2.5
155.10689	4.2
173.11745	13.4
187.07497	2.5
203.07019	0.8
204.07491	0.4
221.08095	1.0
229.14357	100.0
230.14706	1.7
239.23744	1.6
257.24811	1.5
313.27377	75.5
314.27625	2.2
345.08777	0.4
347.61954	0.4
467.37363	62.3
468.37674	3.1
561.37280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.50368	0.4
57.07078	73.4
58.07414	0.7
59.05003	1.0
67.05502	1.9
69.03427	1.5
69.07067	1.3
70.06591	0.5
70.60672	1.0
71.04990	5.8
71.08643	1.3
73.06562	3.2
77.03944	0.7
79.05499	1.8
81.03432	0.6
81.07053	1.6
83.04984	1.1
83.08620	1.0
85.02930	0.6
87.04473	24.1
88.03963	0.5
89.06033	100.0
90.06361	0.6
91.05478	7.9
91.07616	0.9
93.07047	7.6
95.04983	3.6
95.08632	1.8
96.08135	0.4
97.06519	0.5
103.05472	2.6
105.04547	1.6
105.07059	3.1
107.04971	1.2
107.07088	1.8
107.08610	4.8
109.06509	1.4
109.10176	0.9
113.13284	1.4
117.07040	1.4
117.09155	1.5
118.07794	6.1
119.04939	4.4
119.08577	6.1
121.06512	27.3
121.10138	2.3
123.08101	1.2
129.07042	0.5
130.08670	2.1
131.07037	10.2
131.08563	0.9
133.08609	70.4
134.08905	0.7
135.08075	5.3
135.11664	2.2
145.10170	0.6
147.08055	14.4
149.09644	4.5
149.13309	1.2
150.06723	3.4
159.10539	0.5
159.11646	2.6
161.09642	0.5
163.07526	0.6
163.11215	2.9
165.09120	10.5
167.10730	2.6
167.90770	0.4
173.09660	1.0
175.09683	7.5
175.11107	0.8
177.11235	31.6
177.12674	2.2
178.11646	0.6
190.01900	0.5
191.10663	4.2
191.62869	0.5
192.10995	0.6
193.10762	0.5
193.12315	1.9
194.30020	0.4
207.13870	0.5
209.11732	4.6
211.13274	3.4
217.16995	0.6
219.12315	1.4
221.13802	7.7
221.15785	0.5
233.19011	20.5
235.13303	4.0
239.14902	1.3
253.14459	1.2
255.15910	3.1
257.45193	0.5
259.20587	4.5
265.16544	3.0
268.46033	0.6
275.20135	0.6
275.23688	1.3
277.21634	33.7
278.22052	1.5
279.15970	1.9
283.17554	3.1
283.33691	0.4
297.17108	0.8
299.18555	1.5
303.23212	4.3
309.19104	1.8
315.18042	1.1
319.22775	0.7
321.24289	11.1
327.20270	1.4
353.21661	1.1
365.26862	0.7
368.48163	0.5
371.23007	0.5
385.82004	0.5
397.24316	0.5
403.23410	0.8
447.25781	1.0
491.28476	1.0
495.23776	1.3
515.36200	0.5
525.68707	0.5
535.31116	8.0
536.31641	0.6
559.38684	0.9
603.41101	1.1
647.43671	22.9
648.43878	1.8
664.45978	24.1
665.47021	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	665.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51205	1.3
73.93025	1.3
79.05499	3.5
91.05518	4.1
94.04192	2.9
95.04967	2.6
103.05489	2.0
105.07035	13.6
109.06525	3.3
115.05457	4.0
119.04941	1.9
121.06549	1.8
122.03614	6.9
130.06172	1.5
130.77519	1.2
133.06491	6.3
135.04417	23.1
137.05974	100.0
138.06329	2.7
141.07004	1.5
146.03642	4.2
151.07518	2.6
161.05988	52.8
165.09094	1.6
171.08133	2.0
184.05168	3.3
187.07532	2.1
199.07547	18.5
202.07730	7.9
203.08566	16.1
204.09268	1.4
219.08113	3.8
220.08833	5.2
230.07414	1.7
231.08028	31.0
232.08746	6.2
247.07634	3.1
248.08357	12.2
249.09042	2.1
259.07535	24.1
259.10095	2.1
260.08310	21.5
261.08975	2.5
262.09842	1.5
263.10690	12.5
275.06998	2.4
276.07849	10.8
277.08636	4.9
289.08630	1.4
291.10150	96.9
292.10800	9.2
293.08191	3.2
295.09714	1.3
295.13272	1.9
307.09943	1.5
308.10513	1.6
315.15668	2.0
323.12781	87.1
324.13074	4.5
355.42648	1.4
361.08362	40.9
362.08597	1.7
513.13092	37.7
514.13757	2.8
537.17377	1.4
548.55695	1.4
588.42126	1.7
664.42603	3.6
665.17993	2.6
665.43073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39000	0.6
69.88340	0.7
70.06580	0.8
70.72308	0.7
74.05029	0.7
78.53410	0.8
87.16480	0.7
103.05476	2.9
131.04939	6.0
163.07616	0.8
176.04533	1.0
177.05240	0.9
205.04686	3.6
217.04773	1.0
219.06084	0.9
231.06322	1.5
247.05826	1.4
337.23639	0.8
371.11130	1.6
385.51657	0.8
401.11966	6.1
425.12296	4.3
425.17047	0.8
426.12808	0.8
440.14450	24.3
441.15088	5.5
481.17017	1.3
502.32565	5.6
503.33530	2.3
605.19861	5.5
635.20557	1.6
665.21735	100.0
665.38477	25.1
666.22467	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	665.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01866	0.6
55.05507	1.2
57.03436	1.9
61.02927	3.3
67.05501	3.3
68.05767	0.3
69.03429	2.2
69.07069	0.9
69.24255	1.5
71.01362	0.6
71.04995	0.8
73.02921	3.0
79.05491	3.1
81.03419	2.1
81.07063	2.4
83.01385	0.3
83.01957	0.3
83.04982	1.2
83.08628	0.7
83.34823	0.3
85.02901	3.9
85.06532	0.4
91.03951	2.0
91.05460	1.5
93.07037	3.8
95.04963	0.9
95.08617	0.8
97.02890	3.9
97.06548	1.1
97.10188	0.7
99.04461	1.0
101.02362	1.6
105.07035	0.9
107.04944	0.3
107.08611	2.5
109.02873	0.8
109.06495	0.4
109.10156	0.7
113.06013	0.8
115.03896	0.3
117.07009	0.6
119.08598	0.9
121.06507	0.4
121.10153	1.0
123.08085	0.5
127.03902	1.3
131.08540	0.4
133.10146	0.6
135.11691	4.6
136.12178	0.3
141.45474	0.3
145.04956	0.3
145.10152	1.7
161.02789	0.3
163.11182	2.1
181.12202	0.7
183.49396	0.3
185.04231	0.3
191.10573	0.4
203.05415	0.3
209.11743	0.4
221.11537	0.7
235.81454	0.3
239.54401	0.3
243.08421	1.5
249.10999	0.4
255.15733	0.7
277.14200	0.6
283.15521	0.6
342.65228	0.3
351.08600	0.3
436.27582	0.3
439.19403	8.0
467.18869	5.3
665.31354	100.0
666.31732	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	666.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.6
53.03955	1.9
53.27546	0.6
55.01870	2.4
57.03437	1.2
61.02915	1.0
63.76146	0.7
68.99784	0.7
69.03430	7.5
71.05011	0.7
71.14188	0.9
73.02906	1.9
79.05489	1.5
80.08685	0.7
81.03419	7.2
81.07056	1.7
85.02908	18.2
87.00837	6.2
88.53697	0.7
91.03962	1.0
91.05479	2.3
93.07054	1.3
94.04193	2.9
97.02882	6.0
99.04447	3.1
103.05489	1.1
105.01879	4.7
105.07037	5.6
109.02881	7.7
109.06518	2.0
115.03961	0.9
115.05441	2.0
117.01859	0.9
117.07023	1.2
119.08616	1.9
121.06559	0.8
122.03649	5.6
127.03918	13.3
128.06216	1.0
129.01822	1.0
129.07019	1.9
131.04909	1.6
132.05775	1.6
133.06485	3.7
137.05981	100.0
138.06325	2.2
144.05624	0.9
145.04961	6.5
145.06497	1.7
147.02892	1.2
147.08057	2.2
149.05981	1.9
151.03909	1.1
151.07555	0.9
155.04897	1.0
159.02925	4.2
159.08058	2.9
160.05119	0.7
161.05980	12.9
163.07571	1.3
167.06909	0.9
167.96063	0.8
172.05220	1.4
175.07544	26.4
179.07114	1.5
187.07561	9.4
189.03905	0.9
190.07803	1.5
191.08549	6.8
199.07591	4.4
202.07780	1.1
203.06941	1.1
203.08604	2.9
203.18079	1.0
217.08510	1.0
218.07375	1.6
219.08040	14.3
220.08781	2.5
229.08684	1.6
231.05020	2.7
231.08023	4.5
232.08789	1.2
235.07419	0.9
236.08371	1.0
247.07582	6.9
248.08311	2.9
249.09251	1.0
251.10684	20.3
259.07590	3.1
260.08243	1.9
263.10678	2.5
264.07788	2.2
265.08578	1.3
276.07712	1.0
277.08600	1.9
279.10184	15.0
280.10977	1.0
281.07822	1.5
291.10089	7.2
292.10861	1.1
293.08289	1.0
293.11874	1.0
295.09833	0.8
296.10471	2.0
303.10031	1.8
308.10440	2.1
309.11264	1.1
311.12769	52.7
312.13199	1.3
321.11075	1.4
323.08981	1.1
323.12799	21.6
333.11380	1.2
335.12695	4.2
341.13965	5.5
353.13782	3.8
365.14008	1.5
367.15482	1.9
369.11206	0.8
377.13785	1.6
401.13931	3.8
419.14923	2.0
505.15103	1.5
523.16089	2.6
541.17310	3.3
559.17999	2.1
589.19537	1.3
665.38574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
53.23595	0.6
55.01871	10.1
55.05515	1.9
57.03438	6.0
60.04527	1.0
61.02930	5.7
67.05499	2.7
68.99769	3.6
69.03426	29.1
69.03806	1.4
69.07050	1.0
69.14050	4.6
71.04984	4.7
73.02915	9.6
79.05501	1.0
81.03414	30.5
81.07063	5.2
83.01356	0.7
83.08620	1.0
85.02901	100.0
86.03235	0.9
87.00826	37.7
87.04486	1.3
91.03975	3.3
91.05472	2.0
93.07023	3.4
95.05029	0.6
95.08604	4.3
97.02888	43.3
97.10184	3.4
99.04452	17.8
101.02364	0.9
105.01865	50.3
105.07027	3.3
107.08595	2.0
108.04492	5.3
109.02876	39.8
109.10155	5.0
112.48066	0.7
115.03908	1.6
117.01824	5.0
118.30874	0.8
119.08589	2.3
121.10152	3.3
123.11703	3.5
126.05502	2.7
127.03912	89.4
128.04210	1.0
129.01823	4.6
131.08585	1.4
133.10135	2.5
135.11682	3.4
141.01851	1.0
143.66869	0.7
145.04955	48.5
145.10136	0.8
147.02881	4.6
147.11728	4.3
149.13275	3.9
159.02881	26.9
159.11681	1.2
161.13216	5.0
173.13222	1.1
175.14862	4.3
177.03951	1.6
187.14760	1.8
189.03932	1.1
201.16376	1.8
213.03908	5.9
230.06438	1.4
231.04990	29.9
248.07628	4.5
249.06035	7.4
257.22641	31.0
258.19580	0.7
258.22983	2.3
266.08652	2.9
275.23672	1.9
285.22284	1.4
303.23145	6.8
355.19357	14.5
383.19675	0.7
401.19836	3.0
405.32932	0.7
436.03259	0.7
445.37244	0.8
505.28061	1.3
533.27435	1.4
551.28229	1.8
576.12659	1.1
586.31775	0.8
631.23834	3.6
665.97595	0.8
666.15967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.86911	0.1
57.03434	0.7
60.04523	0.1
65.03934	0.4
69.03062	0.1
69.03431	2.4
69.07071	0.1
69.07998	0.1
73.67953	0.1
79.05487	0.5
81.07062	0.8
81.70750	0.1
85.02904	1.7
87.04463	1.8
91.05479	4.7
93.07027	0.2
95.04964	0.3
97.02894	2.0
99.91548	0.1
103.05485	0.3
105.07029	1.9
107.04984	0.2
115.03933	2.1
115.05447	0.4
117.07030	1.7
119.04941	4.5
119.08577	1.1
121.06511	3.5
127.03864	0.1
129.07001	0.9
131.08505	0.4
133.05022	1.8
133.06487	15.1
133.10094	0.4
134.06818	0.1
137.05988	2.2
139.79448	0.1
141.06975	0.1
142.07785	1.7
145.04962	0.2
145.06453	0.1
145.10132	0.1
146.07211	0.2
147.08032	0.4
147.11699	0.6
150.07625	0.4
155.08649	0.1
157.10124	12.9
158.10471	0.3
159.08047	0.1
160.08842	0.8
161.05940	0.1
163.06041	0.1
175.11180	100.0
176.11516	2.6
199.11168	0.3
217.12088	0.1
259.08200	0.2
271.13428	0.1
295.10257	0.3
307.15448	0.8
325.11105	0.1
359.44745	0.1
494.15619	0.1
612.57129	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	666.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41926	0.1
57.03436	0.7
60.04515	0.2
60.30478	0.1
65.03943	0.4
69.03069	0.1
69.03432	2.5
71.46171	0.1
78.25764	0.1
79.05499	0.5
81.07063	0.9
85.02908	1.8
87.04463	1.7
90.74697	0.1
91.05479	4.5
93.07070	0.2
95.04977	0.2
97.02895	1.9
99.65739	0.1
103.05462	0.3
105.07029	1.4
107.04967	0.3
107.13516	0.1
107.97984	0.1
115.03933	2.1
115.05459	0.5
117.07027	1.7
119.04945	4.3
119.08558	0.9
121.06499	3.0
127.03889	0.3
128.06242	0.2
129.07013	1.1
130.07462	0.1
131.04922	0.1
131.08551	0.4
133.05025	1.8
133.06493	14.6
133.10130	0.4
134.06828	0.3
137.05978	1.9
141.07025	0.1
142.07791	1.6
145.04938	0.2
145.10178	0.2
146.07243	0.2
147.08018	0.4
147.11713	0.7
150.07600	0.4
155.08594	0.1
157.10130	12.5
158.10458	0.3
160.08809	0.7
175.11186	100.0
176.11514	2.9
199.11148	0.3
259.08231	0.2
271.13107	0.2
295.10062	0.2
307.15427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36218	0.2
53.03942	0.5
55.01870	0.6
55.05514	4.4
57.03441	1.1
57.07088	0.6
61.02927	1.2
65.03934	0.6
67.05510	2.1
69.03432	4.3
69.07072	9.0
69.07448	0.5
70.02895	0.8
71.04998	7.4
71.12588	0.2
73.02915	0.9
77.03910	0.3
79.05495	2.4
81.03417	3.1
81.07060	5.6
83.08620	3.3
85.02907	15.6
85.06557	0.4
87.04469	2.6
91.03947	1.1
91.05483	7.3
93.07048	3.6
95.04991	0.9
95.08611	7.4
97.02892	4.3
97.03480	0.3
99.04459	1.0
101.02403	0.3
102.09133	0.3
103.05473	0.9
104.06269	0.4
105.04534	0.3
105.07033	17.3
106.07380	0.4
107.08598	10.5
109.02885	2.2
109.06535	0.7
109.10162	2.4
115.03930	14.4
117.07041	2.8
118.07728	0.3
119.08582	67.9
120.08867	1.1
121.10147	4.4
123.08042	0.4
123.11671	1.2
125.09629	0.4
126.71277	0.3
127.03918	7.9
131.08559	1.3
133.03951	0.5
133.04968	10.1
133.10132	24.7
134.10449	0.4
135.11684	1.2
137.05959	0.3
139.11116	0.3
145.04964	10.2
145.10127	1.7
146.10869	0.5
147.11687	4.1
148.09694	0.5
150.09158	0.3
157.10129	0.3
159.11620	0.4
160.12460	1.0
161.13239	0.7
163.06021	3.1
173.13281	0.8
175.14822	100.0
176.15202	2.6
177.16376	0.3
203.17924	1.6
204.13840	0.6
206.54225	0.2
209.71368	0.2
210.83473	0.2
214.18103	0.6
215.10878	0.3
221.19031	0.3
233.10237	0.6
241.07063	0.5
259.08182	2.2
277.09183	15.3
278.09518	0.6
278.17508	0.7
279.17807	0.4
283.17050	0.3
301.21570	0.5
319.22531	0.5
325.10617	0.3
329.12256	0.6
337.23755	0.5
347.13147	0.4
358.20041	0.3
382.29459	0.9
601.85956	0.3
631.69159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20375	1.0
53.03946	5.3
53.04165	0.9
55.01875	4.3
55.05513	12.0
56.74115	0.9
57.03429	2.5
57.07074	3.8
59.04982	1.1
65.03943	2.5
67.05160	1.7
67.05505	27.0
69.03430	10.3
69.07071	18.4
71.04990	3.7
71.05540	0.9
73.02929	1.9
79.05489	16.2
80.72066	1.1
81.03422	6.6
81.07059	47.0
83.04995	1.7
83.08620	9.9
85.02904	25.0
85.06540	11.8
87.00839	10.2
87.04440	1.1
91.05483	26.1
93.07046	71.3
95.04980	7.4
95.08609	53.0
97.02892	10.7
97.06539	2.3
97.10184	3.3
99.04450	3.3
103.05452	1.2
105.01867	12.6
105.04539	2.6
105.07031	56.1
107.08591	47.3
109.02892	7.8
109.06521	2.4
109.10158	80.1
110.10509	1.3
111.04409	1.3
111.08099	8.8
111.11696	1.6
115.03907	2.9
117.07008	3.1
119.08581	57.8
120.08143	1.2
120.08894	1.1
121.10145	46.1
123.08080	1.8
123.11714	13.9
123.12531	1.6
125.09650	3.9
125.32037	1.1
127.03928	15.1
131.08598	2.8
133.04973	1.2
133.10130	33.4
134.10504	1.1
135.11694	39.5
137.09663	1.4
137.13145	1.2
139.11229	2.1
142.07716	1.1
145.04985	9.4
145.10129	6.8
147.11684	60.7
148.12053	1.3
149.13292	3.0
151.11166	1.4
157.10127	1.3
159.02910	3.7
159.11687	1.6
160.12448	1.9
161.13258	20.0
163.14806	2.2
165.12790	3.3
173.09686	1.1
173.13295	1.3
175.14815	19.1
177.16382	2.1
184.48311	1.0
201.16335	1.7
203.17955	100.0
204.18300	1.7
205.19539	1.3
219.17497	1.4
221.18997	9.7
223.23091	1.1
231.05064	5.8
249.06102	4.6
258.77936	1.2
277.09198	1.9
278.17523	2.8
279.17786	2.3
311.20172	1.3
329.21045	1.2
451.23364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01636	1.5
53.03939	2.4
55.01873	2.4
55.05508	10.8
57.03434	2.1
57.07058	2.9
61.02919	3.0
65.03965	2.5
67.05501	23.9
69.03423	10.6
69.07072	18.7
69.24086	11.2
71.04996	4.3
73.02902	2.2
75.75455	1.8
79.05492	14.9
81.03416	5.9
81.07059	56.4
83.08620	8.7
85.02905	27.3
85.06536	10.4
87.00815	5.9
87.04489	3.6
88.57018	1.6
91.05475	23.9
93.06449	3.6
93.07047	72.2
95.04962	7.3
95.08607	57.1
97.02894	13.1
97.06549	3.0
97.10183	3.3
99.04459	3.1
101.54427	1.7
103.05470	2.3
105.01875	9.6
105.07034	57.8
107.08599	49.0
109.02871	4.8
109.06524	4.3
109.10162	82.2
111.08108	13.8
115.03928	9.7
115.05452	1.6
116.49097	1.8
117.07014	3.4
119.08575	67.8
121.10149	44.3
123.11700	15.7
125.09634	4.5
127.03915	15.7
131.08583	2.6
133.04967	3.8
133.10124	35.7
135.04326	1.7
135.11694	42.6
135.12659	3.6
137.05988	3.0
139.11183	4.6
143.08548	2.4
145.04976	10.6
145.10126	4.5
147.11696	54.9
149.13278	4.2
159.02948	2.0
159.11693	2.9
161.13271	18.9
163.05991	2.0
163.14804	4.0
165.12717	5.2
166.89088	1.5
173.13260	1.9
175.14825	36.3
177.16399	2.4
203.17946	100.0
204.18217	2.6
211.07607	9.8
217.09073	1.7
221.19012	10.5
231.04921	2.6
249.06017	4.6
277.09137	6.3
278.17526	10.1
279.17941	4.1
344.32425	2.0
350.37378	2.0
406.38452	1.6
547.31598	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	666.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
51.73803	0.1
53.03950	0.6
55.01864	0.5
55.02120	0.2
55.05510	4.3
57.03432	0.9
57.07074	0.4
61.02929	1.0
61.67928	0.2
65.03938	0.6
67.05499	1.4
68.25187	0.2
69.03427	3.5
69.07065	10.4
69.13651	0.8
71.04993	5.2
73.02904	0.8
77.03931	0.4
79.05499	1.8
81.03418	2.3
81.07053	4.7
83.04974	0.3
83.08619	3.4
85.02903	14.0
87.04468	3.0
91.03919	0.8
91.05476	7.9
93.07047	3.1
93.07600	0.2
95.04967	0.6
95.08604	5.5
97.02889	3.9
97.03481	0.2
98.23416	0.3
99.04449	1.0
103.03976	0.3
103.05452	0.9
104.06248	0.3
105.07028	17.3
106.07347	0.3
107.08592	8.8
109.02867	1.6
109.06523	0.6
109.10161	1.4
115.03930	12.3
116.04257	0.2
117.07019	2.8
119.08578	69.3
120.08871	1.0
121.10147	4.3
123.08107	0.1
123.11713	1.0
127.03923	5.7
127.04871	0.3
129.06978	0.3
131.08548	1.7
132.09290	0.1
133.03941	0.2
133.04968	6.3
133.10124	27.2
134.10458	0.5
135.11682	1.1
137.09630	0.1
143.08650	0.2
145.04956	8.5
145.10120	2.0
146.10901	0.4
147.11682	4.2
153.84956	0.1
159.11714	0.5
160.11317	0.2
160.12453	1.0
161.13287	0.4
163.06004	2.5
167.04500	0.1
171.11742	0.2
173.09613	0.3
173.13257	1.0
175.14813	100.0
176.15147	2.4
177.16325	0.3
185.13351	0.2
187.05981	0.2
193.15894	0.3
215.10757	0.2
217.07007	0.2
233.10168	0.5
241.07074	0.2
259.08118	2.0
277.09177	11.2
278.09354	0.2
278.17480	0.4
279.17950	0.2
283.16913	0.2
298.88120	0.1
301.18192	0.2
329.12198	0.3
347.13132	0.2
352.81375	0.2
367.61359	0.2
451.23413	0.3
547.15802	0.2
609.74658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05516	5.5
61.04311	0.4
62.08923	0.5
65.03936	0.4
67.05507	1.7
68.02404	0.5
69.03442	2.7
69.07071	8.4
69.15868	2.5
71.33573	0.4
73.02899	0.6
73.68059	0.4
79.05502	1.8
81.03416	2.1
81.07060	4.7
81.52112	0.4
83.04989	0.5
83.08619	3.3
85.02909	9.7
87.04465	3.6
91.03963	0.5
91.05483	6.8
93.07037	3.1
95.04958	0.5
95.08604	4.0
97.02902	3.0
99.04479	0.6
103.03981	0.6
103.05454	0.7
105.07037	15.6
105.07741	0.9
107.08595	6.9
109.02886	1.5
109.10146	1.8
114.19440	0.4
115.03938	11.4
115.05424	0.5
115.72081	0.4
117.07012	2.4
119.08582	56.2
120.08945	0.6
121.10154	3.1
127.03915	4.4
131.08569	1.3
132.31454	0.4
133.04982	7.0
133.10133	25.1
134.10484	0.5
135.11745	0.6
144.72708	0.4
145.04977	6.0
145.10132	1.7
147.11682	4.6
160.12473	1.1
163.06042	1.4
173.13289	0.9
175.14824	100.0
176.15222	2.2
193.15944	0.9
259.08145	1.3
277.06299	0.7
277.09183	8.9
329.12396	0.4
364.86935	0.5
666.30981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05511	6.0
57.07077	0.7
59.23727	0.4
61.02932	0.9
63.15098	0.3
67.05509	2.1
69.03436	3.1
69.07072	10.7
69.56635	1.5
71.05003	4.8
73.02930	0.4
75.56509	0.3
79.05483	2.7
81.03423	2.0
81.07056	7.6
83.08620	4.2
85.02906	8.3
87.04467	1.8
91.05484	11.3
91.06060	0.6
93.07039	4.2
95.04952	0.8
95.08604	9.2
97.02905	2.9
103.05479	1.0
104.06250	0.7
105.07034	20.8
106.07380	0.5
107.08595	16.0
109.02904	1.6
109.06543	0.7
109.10162	2.1
115.03932	8.8
115.05488	0.4
117.07025	4.0
119.08585	95.5
120.08891	1.9
121.10136	3.4
127.03928	3.4
131.08591	1.9
133.04980	5.2
133.10133	26.6
134.10432	0.8
135.11623	0.5
145.04971	6.2
145.10143	1.6
147.11693	4.9
159.11705	0.4
160.12445	1.0
161.13242	1.0
163.06042	1.7
173.13301	1.1
174.78619	0.4
175.14824	100.0
176.15225	3.2
193.15886	0.9
207.87569	0.4
215.09097	2.2
233.10161	3.7
259.08115	1.4
277.09189	6.6
292.44815	0.4
623.52490	0.4
666.30988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
60.04516	2.6
63.87881	0.8
69.03421	1.2
69.23205	4.1
72.08154	14.0
73.08482	2.5
81.07091	0.8
81.92771	0.9
85.02902	1.2
86.09696	3.6
87.09970	0.8
91.88700	0.9
97.02876	1.5
101.06012	1.7
129.05453	1.5
134.58740	0.8
137.05946	1.9
147.11636	1.1
149.84135	0.9
159.11304	0.9
162.45483	1.1
175.07549	1.2
176.04546	1.0
177.05284	1.2
183.07661	1.5
187.07590	1.0
205.04715	100.0
206.04977	1.7
218.05560	2.5
232.07062	2.0
246.05029	1.3
280.22705	29.2
282.14471	1.5
283.14658	1.0
300.15604	3.7
301.15765	2.7
302.16006	1.7
370.52524	0.8
408.96783	0.8
413.11990	1.2
414.24390	1.4
439.27411	0.9
472.13470	19.1
473.14081	2.1
637.18988	1.5
667.19824	60.9
668.19965	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	667.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
60.04516	2.6
63.87881	0.8
69.03421	1.2
69.23205	4.1
72.08154	14.0
73.08482	2.5
81.07091	0.8
81.92771	0.9
85.02902	1.2
86.09696	3.6
87.09970	0.8
91.88700	0.9
97.02876	1.5
101.06012	1.7
129.05453	1.5
134.58740	0.8
137.05946	1.9
147.11636	1.1
149.84135	0.9
159.11304	0.9
162.45483	1.1
175.07549	1.2
176.04546	1.0
177.05284	1.2
183.07661	1.5
187.07590	1.0
205.04715	100.0
206.04977	1.7
218.05560	2.5
232.07062	2.0
246.05029	1.3
280.22705	29.2
282.14471	1.5
283.14658	1.0
300.15604	3.7
301.15765	2.7
302.16006	1.7
370.52524	0.8
408.96783	0.8
413.11990	1.2
414.24390	1.4
439.27411	0.9
472.13470	19.1
473.14081	2.1
637.18988	1.5
667.19824	60.9
668.19965	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	667.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
59.81285	1.1
66.08734	0.9
75.50362	1.0
79.05491	9.9
84.75436	1.1
89.03860	1.7
90.04718	1.3
91.05474	3.5
95.04968	3.6
95.75680	1.0
103.05463	14.3
105.03382	11.8
105.04520	2.0
105.07027	74.1
107.04950	2.0
115.05450	14.6
118.04131	5.0
121.06502	5.1
121.29147	1.3
131.04938	9.0
133.06483	62.1
143.06059	6.0
148.05156	3.9
149.05951	7.1
159.04388	2.1
161.05975	100.0
162.06380	2.2
163.07544	6.1
163.08713	1.1
165.85799	1.2
169.59378	1.0
176.04466	11.6
176.62921	1.2
177.05457	9.0
184.04977	9.1
185.05791	5.9
191.07036	24.0
193.08598	52.6
196.72502	1.1
205.04739	1.2
206.05202	1.6
209.08092	8.5
215.06783	48.8
230.05370	2.4
231.06299	10.1
352.09033	2.0
353.09958	22.9
381.13077	2.7
545.17841	27.5
546.18585	1.6
667.20654	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44673	0.8
128.06332	0.7
129.07101	1.0
137.71234	0.7
157.06512	1.3
176.71562	0.7
339.93909	0.7
355.18365	3.6
357.20218	1.6
369.19730	1.5
372.21887	1.3
382.40213	0.8
543.00629	0.8
667.21509	100.0
668.21796	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	667.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
51.69210	0.2
51.79168	0.2
52.58803	0.2
53.03944	0.6
55.01862	0.3
57.11788	0.2
65.03934	0.3
68.35400	0.2
69.39713	1.0
77.03911	1.1
77.69320	0.2
79.05486	1.5
91.05480	2.9
92.02633	0.6
92.33860	0.2
95.04961	3.1
102.04688	0.6
103.05467	52.1
104.05805	1.0
105.04512	1.4
105.07030	8.3
107.04937	0.4
109.06493	0.3
115.05457	2.4
119.04941	5.5
125.05991	1.2
131.04927	100.0
132.05251	2.2
133.06480	7.1
135.04413	37.7
136.04738	0.7
137.05980	1.2
143.06061	1.2
146.07277	0.6
147.04410	7.5
149.06056	0.2
151.07565	0.7
153.05482	1.2
159.08061	0.4
161.05980	19.7
162.06384	0.3
163.07541	31.0
164.07898	0.5
171.08034	0.2
179.07030	4.6
179.08600	0.3
180.02962	0.2
185.05731	11.1
199.07491	1.4
200.04402	0.7
201.05237	2.7
202.07809	0.3
203.08640	0.3
217.04570	0.2
231.08054	0.9
259.07574	0.6
260.08450	0.3
285.30582	0.2
291.10159	5.5
292.10669	0.5
295.13260	0.3
321.10864	1.3
323.12732	1.9
328.52579	0.3
331.11707	2.1
353.09946	5.1
354.10635	0.3
363.12015	0.4
515.16791	11.3
516.16711	0.5
623.22736	0.3
666.46246	0.2
667.21533	3.5
668.21558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35648	0.7
55.01889	0.8
56.24843	0.7
67.05511	2.8
70.06614	1.4
70.58301	1.3
74.10905	0.8
80.05013	1.5
81.07062	2.8
84.08146	1.4
87.66831	0.7
91.05483	2.4
93.07059	3.5
94.06567	1.2
95.04971	0.9
95.08604	9.0
97.02879	1.2
102.86433	0.7
103.05444	1.7
105.07015	1.2
107.08614	3.1
108.61588	0.7
109.06553	1.8
111.04444	1.4
117.07005	0.9
121.06513	4.0
122.09691	2.6
123.04425	12.9
124.69605	0.7
127.04037	0.9
131.04903	3.8
131.08609	0.8
135.08037	5.6
137.05995	6.8
138.12778	1.1
144.25439	0.7
149.06006	1.2
150.09183	1.9
155.95180	0.7
159.11716	1.3
161.06088	1.0
163.07573	2.7
164.43578	0.9
168.10239	2.1
182.11848	1.0
216.74562	0.8
246.45758	0.8
266.42935	0.8
278.21237	0.8
285.14960	1.2
296.22229	3.8
313.11771	0.9
316.97253	0.8
372.21686	52.9
391.01764	0.7
415.41153	0.8
425.12454	1.9
440.14456	5.2
607.21307	1.5
649.42493	1.1
667.23688	100.0
667.41003	7.6
668.24109	5.4
682.57208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04572	0.4
70.06597	0.5
70.51059	0.4
70.51379	0.5
81.07051	0.5
103.05496	1.6
115.93868	0.4
116.02380	0.3
117.77424	0.4
131.04927	3.5
163.07565	0.5
177.62080	0.4
183.06636	0.4
203.06821	0.6
205.04706	0.6
425.12003	2.9
432.54562	0.4
440.14371	4.6
441.15082	0.7
607.21619	1.9
637.22504	0.4
667.23560	100.0
668.23798	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	667.3302
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
50.78860	0.3
53.03956	0.5
55.01848	0.3
55.05500	0.8
57.03433	1.6
61.02922	2.6
67.05495	2.2
67.20007	0.4
69.03440	1.8
69.07066	0.7
71.05018	0.7
71.20285	0.4
73.02920	2.4
79.05489	2.1
81.03418	2.8
81.07040	2.2
83.04967	0.6
83.08617	0.9
85.02915	4.0
85.06561	0.4
91.03962	2.3
91.05496	2.4
93.07050	1.6
95.04993	1.5
95.08588	0.6
97.02889	3.0
97.06518	0.6
99.04472	0.4
101.02392	1.2
105.07053	0.7
107.04935	0.4
107.08595	1.2
109.02898	0.6
109.06514	0.4
114.23031	0.4
119.08581	1.3
121.10142	0.9
127.03931	1.4
129.07034	0.5
131.08597	0.7
131.44002	0.3
133.10170	1.0
135.11691	1.7
145.10133	0.6
147.11723	0.6
157.10173	0.8
163.11086	0.4
168.58234	0.4
170.94652	0.4
175.11302	0.4
181.12311	0.5
188.48177	0.5
193.12338	1.3
211.13333	0.6
221.11540	1.5
243.08472	1.8
255.16010	0.5
295.24570	0.4
439.19400	5.5
457.61807	0.5
469.20432	7.8
470.21002	0.6
509.95334	0.4
667.32990	100.0
668.33203	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	667.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.2
67.05521	0.3
69.03427	0.6
69.07072	0.3
71.45013	0.3
86.06060	0.2
88.19376	0.2
93.07050	0.2
110.46172	0.2
115.10715	0.2
119.08630	0.3
121.06446	0.2
122.39654	0.2
124.99400	0.2
128.98605	0.3
133.06471	0.3
137.09599	0.7
138.12782	0.6
140.07118	0.4
147.08055	0.7
147.11737	0.2
150.07823	0.2
154.12250	0.3
159.08153	0.3
164.14302	0.2
165.09122	0.2
170.11784	0.5
170.92297	0.2
177.12816	0.3
181.05002	0.3
183.10162	0.2
205.15924	0.9
215.14278	0.3
232.16951	0.5
233.15392	0.9
237.62820	0.2
250.18027	1.4
251.16479	0.2
260.16443	0.4
261.14960	0.4
273.02759	0.7
278.17502	3.0
291.03784	0.8
296.18564	100.0
297.18893	3.6
453.07224	0.6
696.22583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05510	2.6
57.03440	2.5
61.02930	5.1
67.05510	8.1
67.49390	0.8
69.03428	3.3
69.07068	2.1
69.47746	2.0
71.04956	0.8
73.02939	4.1
81.03433	1.8
81.07066	4.2
83.08626	2.1
85.02906	5.6
91.03954	3.7
92.02026	0.7
93.07038	1.1
95.08624	2.4
97.02892	5.3
97.10180	1.4
98.23524	0.7
99.04443	0.8
101.02388	2.6
103.04000	0.8
107.08622	0.8
109.10174	7.4
115.03972	0.8
121.10152	1.3
127.03918	1.9
135.11693	0.9
145.04996	0.7
149.08066	0.8
173.11789	2.7
185.04208	0.8
189.09349	0.9
195.10095	1.2
203.07022	0.7
229.14543	1.2
243.08385	3.8
254.84782	0.7
258.00116	0.6
413.17804	11.2
495.29288	6.1
667.40295	100.0
668.40601	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	667.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.4
55.01806	1.1
55.05447	0.5
55.53412	0.3
67.05443	2.3
69.03384	0.7
69.17413	2.0
70.06548	0.4
75.80869	0.3
79.05424	1.6
79.05861	0.5
80.05018	1.5
80.58728	0.3
81.07055	5.5
84.08069	0.9
86.09628	0.3
91.05501	1.6
94.06498	1.0
95.04890	1.3
95.08607	11.2
96.08035	0.3
97.02840	1.0
105.06995	1.5
107.08598	5.6
108.08070	0.4
109.06511	1.9
110.06999	0.3
110.09624	0.7
111.04460	1.7
117.06946	0.7
119.08544	0.8
120.08077	0.3
121.06499	1.5
121.10072	0.6
122.09676	3.3
123.04427	20.3
125.05935	0.4
125.09574	0.4
131.08469	1.3
135.08047	7.1
136.11139	0.8
137.05986	10.8
137.12077	0.4
138.12686	0.7
144.09300	0.3
146.70018	0.3
149.05972	0.6
150.09106	2.8
152.10683	0.4
157.09978	0.3
159.08002	0.7
159.11699	1.9
159.18958	0.3
163.07436	1.2
168.10223	3.5
169.10254	0.3
182.11723	3.0
187.11069	1.0
203.10602	0.4
205.04703	0.4
205.12267	1.5
250.21527	0.6
278.21277	0.7
296.22195	1.9
298.18082	0.3
372.21683	100.0
373.22028	6.1
424.86649	0.3
425.12021	0.7
440.14462	1.5
441.15042	0.3
530.02191	0.3
623.44281	0.9
649.42358	0.9
667.23651	27.4
667.42682	9.0
668.24042	5.6
668.36243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09149	0.2
55.05505	0.6
56.05030	0.7
59.33359	0.2
67.05489	1.0
67.93334	0.2
69.03420	0.5
69.07063	1.1
71.43858	0.2
75.56506	0.1
79.05485	0.6
81.07045	1.2
81.07431	0.2
82.06583	0.2
83.08607	0.4
84.08125	0.7
86.09706	0.3
91.05447	0.3
91.81752	0.2
93.07040	0.4
95.04953	0.2
95.08593	1.4
96.08128	1.0
97.02901	0.2
97.10151	0.3
98.06089	0.2
100.07639	0.2
105.07042	0.2
107.08575	0.7
109.10157	0.8
110.09637	0.3
112.07574	0.3
119.08527	0.2
121.10139	0.4
122.06258	0.2
122.09666	0.3
124.11284	0.2
125.05984	0.5
128.07092	0.4
133.10112	0.3
136.11255	0.3
137.05986	0.4
139.54008	0.2
140.14268	0.2
142.08664	1.5
145.10123	0.2
149.13263	0.2
150.12758	0.2
164.10649	0.2
168.10172	0.3
173.32829	0.2
180.17499	0.5
202.47121	0.2
203.17775	0.2
205.14624	0.2
206.19063	3.2
233.12451	0.2
238.17941	0.3
252.23232	0.3
257.97873	0.2
262.21393	0.2
278.21155	2.2
279.21487	2.9
280.22699	100.0
281.23032	3.4
326.11349	0.2
388.21109	0.3
472.81729	0.3
473.31927	0.5
600.94598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05507	0.4
56.47825	0.3
67.05499	2.5
69.03440	0.5
69.07080	0.2
70.06570	0.4
70.70457	0.3
71.67391	0.2
79.05492	1.5
80.05023	1.7
81.06625	0.4
81.07057	5.4
84.08128	1.1
91.05476	1.6
94.06567	1.1
94.07417	0.3
95.04977	1.3
95.08607	10.9
97.02884	1.0
97.06519	0.2
105.07018	1.4
105.97195	0.2
107.08598	4.6
109.05888	0.3
109.06514	2.0
110.09686	0.5
111.04443	1.7
117.07015	0.7
119.04901	0.3
119.08583	0.6
121.06486	0.8
122.09676	3.5
123.04430	21.0
125.05990	0.4
129.06995	0.3
131.08559	1.0
133.06485	0.3
133.10117	0.3
134.09685	0.5
135.08046	5.5
136.11185	0.6
137.05978	9.8
137.12003	0.3
138.12775	0.7
145.10074	0.3
147.08075	0.4
147.11578	0.3
149.05939	0.6
150.09142	2.7
151.07477	0.3
152.07851	0.3
152.10692	0.4
157.10098	0.5
159.08075	0.9
159.11716	1.6
160.07266	0.2
162.12740	0.3
163.07535	1.1
168.10201	3.0
182.11745	3.9
187.11201	1.3
193.08632	0.3
203.10796	0.4
205.12209	1.6
208.13417	0.4
208.16980	0.3
220.13300	0.3
278.21188	0.6
296.22177	2.3
297.56802	0.3
372.21686	100.0
373.22025	3.9
415.46408	0.3
440.14835	0.3
504.32419	0.3
531.67834	0.3
570.78894	0.3
623.43884	0.6
649.41809	1.0
650.31311	0.3
667.23712	3.8
667.43335	8.0
668.23163	0.6
668.43707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.13081	0.5
55.01875	4.2
55.05509	1.5
57.12704	0.5
65.03928	0.6
67.05511	2.5
69.03120	0.5
69.03442	5.7
69.07072	5.4
71.04993	3.2
73.30873	0.6
77.03931	1.4
79.05501	9.0
81.03410	4.7
81.07051	3.6
83.04993	4.4
85.02912	3.0
85.06525	1.1
91.05479	6.6
93.07049	10.2
95.04976	5.3
95.08615	3.5
97.02888	1.4
97.06529	10.0
98.23521	1.1
99.04470	4.2
103.05470	1.3
105.04522	1.2
105.07034	42.2
107.04953	5.7
107.08608	3.2
109.02880	1.3
109.06495	1.8
109.10157	2.2
115.03914	1.3
115.05456	1.5
117.07026	5.8
119.04908	0.8
119.08580	3.1
121.06509	36.2
121.10130	1.5
123.11745	0.8
125.06008	6.3
127.03887	2.2
127.11132	0.5
128.06210	1.7
129.06999	3.4
130.07780	3.0
131.04878	0.9
131.08566	8.8
133.06494	25.3
133.07509	1.2
133.10106	2.0
135.04465	2.5
135.08046	1.0
137.05965	1.1
137.09642	0.7
139.06108	0.5
139.07558	0.7
141.06989	2.8
143.07043	7.5
143.08524	3.6
144.05606	0.6
144.09340	1.9
145.04898	0.7
145.05209	0.7
145.06496	12.5
145.10132	48.5
146.07224	1.3
146.10449	0.9
147.08044	1.6
147.11728	0.7
151.07538	0.9
153.06975	0.9
153.12811	0.7
154.07794	3.1
155.08560	7.6
157.06487	0.9
157.10118	0.9
158.07280	19.0
159.08070	14.7
159.11703	19.0
161.06041	0.7
161.09605	2.6
161.13217	0.6
163.11226	0.7
167.14421	0.8
169.07780	0.7
169.10150	7.2
171.08029	1.9
172.08844	5.8
173.09628	100.0
174.06656	0.7
174.09978	2.2
179.08597	2.6
181.06509	0.7
182.07277	2.7
185.15413	1.0
187.11183	38.3
188.11562	0.7
188.95151	0.5
189.09082	0.6
189.12700	1.3
191.10712	1.8
197.09624	12.1
197.11397	0.7
205.12247	16.8
215.10681	79.6
216.11009	1.7
233.11737	83.2
234.12019	1.6
251.12764	2.0
277.09076	0.5
277.10883	0.6
278.17609	0.7
303.23038	0.7
319.11792	3.1
321.24094	1.1
337.12830	29.1
338.12933	0.8
339.25195	1.3
355.13910	17.0
359.14990	0.8
388.21259	0.7
481.17099	2.2
499.18036	5.8
540.09723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.09037	1.1
55.01861	1.7
57.03449	1.3
58.64914	1.1
59.05001	3.3
59.64755	1.2
61.02923	2.3
65.03932	1.5
67.05453	1.5
67.51291	1.2
69.03439	8.3
70.06594	7.9
70.47500	1.1
71.04988	1.3
71.44950	1.1
72.08158	1.4
73.02921	1.9
79.05521	1.4
79.62450	1.1
81.03419	63.3
84.08147	1.3
85.02905	24.4
86.09724	2.8
87.04473	4.2
89.06012	3.6
90.52422	1.1
91.03961	1.5
91.05477	1.2
94.04167	1.6
96.17785	1.1
97.02914	8.6
99.04494	1.8
105.07006	2.4
108.02092	1.6
108.99146	1.2
109.02879	6.3
109.06506	1.9
114.03270	1.2
115.03941	11.2
115.05486	1.8
115.73502	1.2
122.03652	3.3
125.05999	1.4
127.03922	12.7
128.06252	1.9
129.06996	9.8
133.04994	2.9
133.76611	1.4
135.04373	1.3
137.05983	83.3
138.06253	2.1
141.05476	1.5
143.04886	3.0
145.04962	14.9
145.06470	3.5
147.07967	1.8
147.11703	1.4
148.12019	1.2
149.13338	2.0
151.03915	100.0
151.05023	9.3
153.05479	4.3
157.06514	14.1
160.05209	1.9
161.05981	3.5
161.09683	2.3
163.06062	2.2
163.07506	2.3
165.05478	8.6
171.04437	3.9
173.06000	2.8
175.07532	11.4
176.04625	1.3
177.05351	1.2
177.09079	1.9
187.07529	5.8
189.05511	5.2
189.09152	9.9
191.07016	10.9
203.07021	25.1
203.17851	1.5
205.06653	2.3
205.08597	43.5
205.10443	2.6
215.06999	4.0
219.08167	2.8
219.10127	2.9
221.08084	4.9
233.08069	32.4
240.09721	1.2
243.06506	2.4
251.09181	8.3
259.08139	4.4
263.07074	1.3
264.07837	1.8
267.10181	1.3
271.06000	2.6
277.08734	3.3
279.10126	2.1
285.07535	3.4
286.08337	12.8
287.08972	1.4
289.08716	1.6
295.09665	2.8
306.08926	1.3
307.09393	3.0
309.11221	2.2
311.12482	1.8
312.09695	1.6
320.49896	1.2
321.11096	5.4
327.12204	8.8
339.12350	11.8
345.13214	4.2
357.13312	56.3
357.17764	2.8
375.14368	63.5
376.14725	1.7
416.20816	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	668.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	1.2
55.01867	2.0
55.05511	2.7
57.03440	0.9
57.07072	1.6
67.05499	4.0
69.03059	1.1
69.03429	17.4
69.07057	3.2
69.11545	0.5
69.38880	1.3
69.39294	1.3
71.04997	4.3
71.08623	0.7
77.03929	1.2
79.05490	8.5
81.03417	6.8
81.07050	7.6
83.04979	4.0
83.08622	0.9
85.02896	4.4
85.06538	2.1
87.04449	0.8
91.05482	6.4
93.07043	6.5
95.04987	4.8
95.08598	3.4
97.02895	2.1
97.06514	4.8
99.04456	8.0
100.07632	0.8
100.11259	2.2
103.05466	3.2
105.07027	68.5
106.07359	1.6
107.04943	2.7
107.08596	4.3
109.02888	2.7
109.06499	2.4
109.10149	3.1
111.04453	1.5
111.08130	0.8
113.06018	1.3
115.03935	1.7
115.05453	1.4
117.07015	8.8
119.04956	1.7
119.08588	6.0
121.06503	9.4
121.10138	2.1
123.04465	0.8
123.08047	1.2
123.11713	1.5
125.05975	3.6
125.09647	0.8
127.03938	2.2
127.39218	0.5
128.06181	2.6
128.07033	1.2
129.07002	4.6
130.07820	4.0
131.08569	12.9
133.04926	0.6
133.05544	1.1
133.06483	14.9
133.10127	9.7
133.11035	1.0
135.04413	0.7
135.08052	0.8
135.11693	2.1
137.05927	1.2
137.09596	2.1
137.13263	0.6
138.52461	0.6
139.11230	0.8
141.07011	2.8
141.09106	1.0
142.07738	1.1
143.07030	2.0
143.08554	6.8
144.09329	5.4
145.06502	7.4
145.10120	100.0
146.07288	0.7
146.10539	2.5
147.04387	0.9
147.08014	1.7
147.11725	2.5
149.05962	1.6
149.09679	0.7
151.07513	1.8
151.11174	1.1
153.07028	0.8
154.07759	3.7
155.08572	4.0
156.09300	0.9
157.06509	0.9
157.10190	2.5
158.07260	8.7
159.08070	6.4
159.11691	40.8
160.12032	1.2
161.09615	8.6
161.13222	0.5
163.07527	1.6
163.11154	2.1
165.09082	0.7
169.08621	2.0
169.10118	7.5
170.15378	1.8
171.08041	1.2
171.11714	0.9
172.08823	3.6
173.09615	49.3
174.09943	0.9
175.14949	0.6
177.09018	0.6
177.12709	1.0
179.08575	1.3
182.07210	1.6
182.15498	2.5
187.11165	35.0
188.11569	1.3
189.09105	0.7
189.12744	4.2
191.10641	2.1
197.09612	7.0
198.14871	1.6
205.12231	94.7
206.12573	3.7
210.14854	2.8
215.10674	90.4
216.10965	3.6
233.11725	47.1
234.12074	1.7
251.12791	5.1
259.09607	0.9
275.12543	0.5
277.10876	0.7
303.23087	1.4
309.13254	3.8
313.14185	0.9
319.11740	6.6
321.24164	2.7
337.12793	20.1
338.13062	1.4
338.24252	0.6
339.25235	3.2
341.13770	1.7
355.13876	4.1
357.26318	0.9
357.32053	0.5
359.14648	0.9
377.15775	1.3
388.21133	1.5
395.16599	0.7
410.55054	0.7
481.17050	4.6
499.18085	9.8
650.48615	1.0
668.37762	1.2
668.49072	3.9
669.28998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01870	1.7
55.05506	4.5
57.03438	1.8
57.07068	1.0
59.04990	0.4
61.02920	2.7
67.05507	2.6
69.03428	11.0
69.07066	7.8
69.07441	0.5
71.05000	3.0
71.05775	0.4
71.08636	0.3
73.02910	2.0
77.03886	0.3
79.05482	4.2
81.03415	6.0
81.07057	11.1
83.08612	6.8
85.02901	33.7
85.06541	1.3
86.03226	0.4
87.04465	11.2
87.05003	0.5
91.03967	1.7
91.05463	3.0
93.07044	10.0
95.04984	0.4
95.08603	25.2
96.08910	0.6
97.02888	12.5
97.06517	0.3
97.10159	3.6
99.04449	3.0
99.08087	6.6
101.02383	0.9
103.03954	0.9
103.05479	0.3
105.04506	0.3
105.07011	3.7
107.08588	28.6
108.08900	0.7
109.02869	5.5
109.10146	6.1
111.08089	3.3
111.11742	0.3
113.09653	0.5
115.03925	52.6
115.11243	0.3
116.04267	0.5
119.06048	0.4
119.08612	1.4
121.10140	45.4
122.10430	0.8
123.08073	0.7
123.11712	2.4
125.09620	2.3
127.03912	19.1
129.05493	0.3
133.04962	24.2
133.10121	1.1
134.05351	0.3
135.11688	10.4
137.13225	4.3
139.11234	0.3
145.04951	20.4
145.10110	0.9
147.11743	0.4
149.13264	3.4
155.08334	0.4
157.04970	0.9
159.11691	0.7
161.13257	0.5
163.06003	7.1
173.09633	0.6
173.13094	0.3
175.06046	1.0
175.14917	0.6
177.16374	100.0
178.16730	3.0
187.06081	0.3
195.17439	21.7
196.17812	0.7
205.12195	0.4
207.17386	0.4
213.18483	31.0
214.18854	0.9
215.10660	0.8
219.17587	0.5
233.11780	0.6
241.07053	2.6
259.08112	7.5
277.09167	43.5
278.09476	1.3
280.22644	2.9
281.23041	2.1
303.19559	0.5
321.20746	0.7
325.11502	0.3
339.21786	0.4
375.23862	0.5
413.68732	0.3
421.13232	0.7
435.23196	0.4
453.24860	0.6
454.50378	0.3
470.52277	0.3
471.25769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
54.78398	1.1
55.01870	3.1
55.05513	4.7
57.03443	3.9
61.02931	4.8
67.05511	2.9
68.12707	1.3
69.03432	17.6
69.07068	7.7
71.05014	2.8
73.02921	4.0
79.05515	3.2
81.03432	10.5
81.07073	9.0
83.08620	5.6
85.02910	65.6
87.04475	20.0
91.03962	2.7
91.05466	3.7
93.07055	8.4
95.05029	1.0
95.08609	26.9
97.02892	20.8
97.03481	1.6
97.10192	3.8
98.22672	3.9
99.04475	3.6
99.08115	6.5
103.03937	2.4
105.07031	3.9
107.08605	25.0
109.02882	9.7
109.10175	6.4
111.08109	3.0
115.03938	89.2
116.04344	1.1
119.08604	2.1
121.10153	43.9
122.10555	1.2
123.11736	4.3
125.09653	3.3
127.03922	31.9
127.04854	1.7
133.04971	32.6
133.10115	1.8
134.05228	1.3
135.11699	10.3
137.13322	5.7
145.04959	28.3
145.06079	1.8
149.13272	3.2
157.04942	2.4
163.03960	2.6
163.06000	7.6
173.13254	1.5
175.14868	2.0
177.16397	100.0
178.16747	3.9
187.14699	1.2
195.17447	24.8
208.40300	1.1
213.18497	29.3
241.07156	2.6
259.08102	10.3
277.09198	56.3
278.09509	1.8
285.18478	3.6
303.19464	2.1
383.49957	1.2
435.23859	2.6
471.25748	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01863	1.3
55.05506	5.0
57.03185	0.9
57.03435	11.4
57.07076	0.8
59.04976	2.2
61.02910	1.2
65.03926	1.1
66.02989	0.6
67.05504	56.3
69.03408	2.2
69.07047	2.3
69.86915	0.7
71.04990	3.1
76.35223	0.7
79.05486	6.6
81.03415	44.3
81.07053	12.2
82.03743	0.7
83.04980	2.4
83.08620	13.1
85.02896	1.8
85.06518	2.8
91.03943	1.0
91.04958	0.7
91.05486	11.9
93.07045	6.2
95.04968	14.3
95.08605	5.8
97.02857	1.9
97.06493	1.7
97.10146	1.0
99.08077	0.7
100.07598	2.9
105.07040	5.6
107.04947	2.7
107.08595	3.3
109.06478	2.6
109.10153	59.9
110.10453	0.7
111.04439	1.5
111.08067	6.4
113.65252	0.7
115.05424	0.9
117.07012	1.3
119.04919	1.1
119.08574	9.0
121.06506	1.4
121.10129	3.0
123.08059	1.2
125.09628	0.7
127.03896	0.7
129.06992	4.9
131.08565	4.8
133.06451	2.1
133.10130	3.0
135.08002	0.8
135.11684	0.7
137.09602	3.7
142.07774	1.3
145.10077	1.2
147.08006	1.5
147.11659	2.7
149.09613	2.6
155.10652	7.5
157.10123	5.6
159.11673	0.6
161.09506	0.6
165.12711	1.2
173.11731	14.2
175.11157	6.6
187.11134	0.7
193.12234	16.8
211.13268	1.8
229.14342	84.3
230.14682	2.4
249.14796	2.0
267.15900	76.0
268.16284	2.7
281.13889	0.7
309.16754	1.0
326.26883	1.0
329.21088	2.5
347.21902	0.9
403.24701	9.5
421.25824	100.0
422.26089	4.1
463.26672	1.4
517.27606	0.7
547.29163	1.7
634.42719	0.8
668.33911	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	668.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
54.63638	1.5
55.01878	4.5
55.05510	16.4
56.58620	1.4
57.03445	7.0
57.07076	10.0
59.04995	4.2
61.02926	6.8
61.54597	1.6
65.03936	1.6
67.05502	35.7
69.03426	27.2
69.07069	51.9
69.07448	2.8
71.05000	9.5
73.02920	4.7
73.06546	2.1
79.05493	25.7
81.03423	21.8
81.07057	100.0
83.04977	13.4
83.08626	18.7
85.02904	61.3
85.03418	3.0
85.06533	10.6
87.04469	18.3
91.03962	1.8
91.05482	22.9
93.07044	86.5
95.04969	16.1
95.08606	89.1
97.02898	17.4
97.06532	26.1
97.10194	4.6
99.04431	7.6
99.08115	2.3
103.03973	1.6
105.07019	22.3
106.83161	1.3
107.08595	57.3
109.02867	13.5
109.06512	19.2
109.10158	85.8
110.10507	2.1
111.08089	17.7
111.11720	11.7
112.18580	1.3
113.06010	2.4
113.09642	5.2
113.55688	1.5
115.03931	59.0
117.07015	4.9
119.04991	1.6
119.08578	20.5
121.06523	11.4
121.10146	27.8
121.10975	1.9
123.08070	14.7
123.11705	23.0
125.06018	1.5
125.09625	15.7
125.13277	2.3
127.03919	30.1
129.06978	3.2
131.05031	1.5
131.08554	10.1
133.04976	16.0
133.06482	2.8
133.10123	12.6
135.08070	4.4
135.11699	14.3
137.06000	1.9
137.09613	79.3
137.13240	22.1
139.07539	6.6
139.11191	10.0
139.14787	2.5
141.09068	1.7
143.08565	2.0
143.10713	2.9
145.04956	20.4
145.10104	12.4
147.08061	2.9
147.11702	5.9
149.09612	20.3
149.13258	26.5
150.13754	1.5
151.07516	1.7
151.11154	15.1
153.09091	1.8
153.11584	2.9
153.12750	45.8
155.10672	75.2
155.14287	12.4
157.10095	2.5
158.07274	2.0
159.11676	7.0
161.09592	3.2
161.13278	4.4
163.06029	4.0
163.07533	1.5
163.11227	3.1
163.14832	3.1
165.09161	6.2
165.12709	3.6
167.10670	27.5
167.14313	53.3
167.15681	2.9
169.10068	1.7
169.12250	6.8
171.10159	2.2
171.11630	2.9
171.13803	17.6
173.09625	6.6
173.11758	23.5
173.13232	3.2
173.15337	1.7
175.07553	3.4
177.09178	3.3
177.12700	2.1
177.16281	3.0
181.12181	1.9
183.10139	2.6
185.11748	21.1
185.13467	2.2
185.15367	32.4
186.15672	1.8
187.11188	3.9
187.14853	5.0
193.12215	1.6
195.10123	4.1
203.07092	2.9
203.12791	3.6
205.12257	6.2
205.15953	2.1
215.10725	6.6
215.14423	1.6
217.19568	1.8
219.17503	2.4
227.18266	1.7
233.11729	4.9
259.08160	7.6
261.22159	1.8
263.09128	10.4
275.23752	2.2
277.09161	21.3
285.22162	5.1
291.23099	3.1
303.23199	23.7
309.24274	2.8
321.24252	54.0
322.24481	3.3
337.12796	2.6
339.25290	25.5
340.25473	1.6
357.26422	5.2
367.28516	2.2
375.27451	5.5
385.16312	2.2
388.21231	4.4
388.71454	2.4
389.21350	2.9
413.18033	2.1
597.33112	1.9
626.64539	1.8
668.36469	5.0
669.30554	2.6
698.53241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47488	0.5
56.05037	4.1
67.05498	1.2
69.03436	3.1
69.04558	3.4
69.07054	1.3
70.06577	1.8
73.02915	0.7
81.03391	2.0
81.04529	0.9
82.06580	0.4
84.08142	96.4
85.02901	3.6
85.08481	0.8
86.09707	8.8
87.04481	1.0
94.06567	1.7
95.02448	7.7
95.03049	0.4
97.02888	1.6
98.09685	0.6
101.10785	0.4
104.29431	0.4
106.04025	1.2
107.02433	2.6
108.05618	0.9
109.02888	1.0
110.07213	0.6
113.03490	10.8
115.03942	1.2
120.35648	0.4
121.07623	0.7
123.09193	0.6
124.07491	0.4
126.09166	3.7
126.94040	0.4
127.03916	1.8
132.10211	0.9
134.03531	0.4
135.09198	0.5
136.05058	7.6
136.07587	0.5
144.66747	0.4
148.05029	0.9
148.07475	0.4
149.07249	0.4
151.08662	21.6
161.04573	1.2
162.02982	72.6
163.03412	1.0
167.08173	0.7
174.06380	0.4
176.04652	0.6
177.06660	1.0
178.08650	0.8
179.05638	3.7
180.04036	42.0
181.04457	0.9
184.08745	0.7
195.07640	7.9
200.08359	0.5
201.11328	3.6
202.09819	3.5
216.92992	0.4
217.10736	0.6
219.12413	1.0
227.09569	0.4
229.10840	5.9
245.10321	8.7
247.11896	52.1
248.12216	0.6
263.11392	3.8
275.11331	0.7
280.14038	4.9
293.12427	60.3
294.12808	1.5
313.16846	0.4
324.14548	0.5
330.19275	1.9
347.21838	0.5
359.16992	2.8
374.18350	2.5
375.21536	2.1
376.19815	14.3
376.24664	0.7
377.20154	0.6
393.22427	100.0
394.22830	5.3
435.23520	2.7
472.01904	0.5
483.23563	1.1
501.24628	0.7
633.28796	2.9
651.29883	0.5
652.28198	0.9
669.30890	61.8
670.31213	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	669.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51564	0.5
55.05502	1.1
57.03438	1.4
61.02930	3.0
67.05502	4.4
69.03435	2.2
69.07058	0.7
71.01361	1.0
71.04993	3.1
73.02914	2.3
79.05500	2.9
81.03432	1.7
81.07054	1.7
85.02910	3.0
91.03960	1.8
91.05508	1.8
93.07041	4.2
95.08592	1.2
97.02893	3.4
97.06524	1.4
97.10184	0.7
98.22721	1.4
101.02393	1.4
105.07054	0.5
107.08576	2.5
109.02855	0.7
109.10188	2.5
119.08600	2.1
121.10157	1.0
127.03910	1.5
128.48434	0.5
133.10110	0.7
135.11681	4.0
137.09683	1.1
145.10152	1.5
163.11215	0.8
173.11722	0.9
181.12292	1.1
214.71974	0.5
240.58812	0.5
243.08456	2.0
253.14195	1.6
277.14001	0.9
432.78574	0.6
439.19458	9.3
471.22025	6.9
525.41272	0.6
531.60162	0.6
669.34534	100.0
670.34937	7.1
678.83160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03434	1.5
57.07067	2.1
61.02926	3.4
67.05505	5.3
69.03428	2.4
69.07081	1.0
70.61372	0.7
71.08599	1.2
73.02913	3.0
76.79617	0.5
81.02943	0.5
81.03423	1.5
81.07063	1.5
83.08618	1.3
85.02891	4.1
85.10187	0.8
91.03952	3.5
95.08605	2.0
97.02893	3.6
99.04433	0.7
101.02379	1.7
109.02921	0.5
109.10162	6.4
127.03917	1.4
145.04977	0.7
155.10793	0.7
173.11723	2.6
185.04321	1.1
189.09164	0.6
195.09998	0.7
202.56015	0.6
229.14449	1.4
243.08449	2.3
250.84244	0.6
258.40152	0.5
313.27658	1.0
375.00821	0.5
413.17810	12.0
497.30643	5.0
669.41803	100.0
670.42175	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	669.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
58.17440	0.5
71.45704	0.6
77.35033	0.6
77.96934	0.6
91.05479	0.6
92.01176	0.5
105.07058	0.5
116.99263	0.7
137.05928	0.5
143.85828	0.5
147.36490	0.5
161.05969	0.9
163.44756	0.4
173.05528	2.6
187.03339	0.5
215.06558	1.1
245.07712	2.4
245.09875	0.6
246.08368	1.8
264.08215	1.7
278.07141	0.6
296.18719	0.5
335.22171	2.5
339.19199	0.8
357.20129	100.0
358.20355	3.0
375.19867	1.2
423.47946	0.5
669.29346	0.9
669.41809	7.3
670.41681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09550	3.2
57.87324	3.2
67.05490	4.7
81.07038	4.3
95.77261	3.9
98.93807	3.5
183.56772	3.8
317.20816	9.6
370.82593	4.1
489.57782	3.7
669.36407	5.2
669.47076	100.0
670.46667	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	669.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34452	3.3
70.55838	6.6
72.06257	3.4
130.24968	3.8
141.68808	3.3
194.88062	3.7
198.45605	3.8
230.02238	4.4
281.20496	3.8
669.46985	100.0
670.46893	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	670.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56650	0.4
55.64801	0.4
57.18151	0.3
61.28919	0.4
69.44438	1.3
69.44816	0.7
70.06567	0.7
79.05482	0.5
80.01814	0.4
83.07368	0.5
83.72346	0.4
87.96938	0.3
93.07008	0.6
93.24072	0.3
95.04928	0.4
99.04411	0.4
105.03335	0.5
105.07011	0.7
106.06525	0.8
107.07304	1.3
108.08133	3.2
110.09657	0.6
120.08109	2.2
121.08937	0.4
122.09692	1.9
123.10442	3.1
132.08096	0.7
133.02834	1.0
133.08861	0.4
134.08759	0.6
134.09673	8.2
135.04367	0.5
135.10432	5.2
136.11241	3.5
137.05988	0.4
146.09639	0.6
147.10361	0.5
148.11234	3.3
149.11967	0.9
150.09143	0.7
153.53549	0.4
158.09659	0.6
160.11186	0.7
161.11983	0.4
162.12791	31.8
163.03900	2.1
163.13556	3.6
170.09656	0.7
172.11108	0.8
173.11974	0.6
174.09122	0.5
176.10689	0.5
183.06471	0.5
184.07503	0.4
184.11185	2.2
185.60745	0.4
186.09099	0.6
186.12775	1.1
190.12244	0.9
198.12761	1.8
199.09857	0.5
199.13638	2.2
200.10818	0.5
200.14070	0.4
202.12268	1.1
212.10739	0.5
212.14355	0.8
214.12242	1.4
214.15962	1.9
215.16757	0.7
216.13831	0.5
218.11723	1.2
218.15370	0.5
224.14255	1.0
225.11295	0.4
226.12283	11.7
227.12926	1.3
228.13695	0.5
230.11765	1.3
230.15385	1.7
240.13811	2.2
241.14645	2.9
242.11633	0.7
242.15396	18.9
243.15669	1.1
246.14941	3.5
254.11795	1.0
256.13290	0.9
257.14072	0.7
258.11261	20.6
258.14883	19.8
258.16962	0.4
259.11682	0.9
259.15347	0.9
260.12744	0.7
268.13214	0.8
272.16321	0.5
273.13934	0.4
273.17172	0.9
274.14389	19.2
274.17813	1.5
275.14688	0.8
284.12714	1.2
286.10706	1.3
288.15842	1.9
289.16736	14.5
289.20065	0.8
290.17337	1.2
298.14450	0.8
300.16006	0.9
301.13089	11.5
302.13852	6.4
315.14697	0.8
316.15439	100.0
317.16010	12.0
318.16989	17.1
319.17493	0.8
478.18640	64.8
479.19089	5.6
670.25531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03437	1.0
61.02929	0.6
62.41480	0.2
69.03433	4.0
73.02926	0.5
77.03940	0.3
79.05508	0.4
81.03429	0.7
85.02906	14.8
91.05472	0.6
93.07037	1.0
94.56771	0.2
95.04972	0.4
97.02260	0.3
97.02894	6.8
99.04460	1.6
101.02384	0.8
103.05467	5.8
107.04941	1.2
109.02868	1.1
115.03921	0.5
118.13986	0.2
120.08105	100.0
121.08479	1.8
127.03919	13.5
128.04230	0.2
131.04938	2.6
145.04959	15.0
146.05403	0.3
149.05998	1.9
158.57590	0.2
163.06012	5.3
166.08635	67.1
167.08897	1.3
181.05011	0.3
215.73792	0.3
223.05890	0.4
253.06938	0.3
259.08130	0.7
271.08154	0.8
289.09137	1.5
325.11212	1.1
433.36029	0.2
451.03430	0.2
538.52325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03948	1.1
55.01870	1.6
57.03437	0.9
61.02921	1.2
65.95748	0.1
67.05501	0.2
68.99791	0.6
69.03426	4.7
69.87663	0.4
71.04997	0.7
73.02911	1.2
77.03938	0.5
79.05489	3.0
81.03416	4.9
83.01348	0.3
84.04513	0.1
85.02902	16.1
86.03205	0.2
87.00828	5.1
87.04472	0.3
89.36919	0.1
91.03953	0.5
91.05489	0.5
94.86041	0.2
95.04975	0.8
95.08594	0.3
97.02890	5.2
98.22773	0.2
99.04449	2.6
101.02376	0.2
103.03964	0.3
103.05460	2.3
104.23754	0.1
105.01160	0.2
105.01866	5.9
105.07026	100.0
106.07366	2.2
108.04496	0.2
109.02872	4.9
109.10135	0.2
115.03947	0.2
117.01848	0.6
119.08555	0.2
123.08052	0.3
127.03910	9.9
129.01823	0.8
135.08070	0.3
137.06004	0.4
137.09599	0.3
139.07549	0.4
145.03816	0.3
145.04950	5.4
147.02858	0.7
147.07979	0.4
147.26628	0.1
151.07529	6.2
159.02898	2.9
165.09111	10.7
166.09407	0.3
177.03943	0.2
180.08716	0.3
188.08394	0.2
189.03857	0.7
202.12268	1.0
203.12546	0.7
213.03995	0.6
214.55226	0.1
214.78206	0.1
231.04994	3.3
237.12756	0.4
243.13788	78.2
244.14128	3.1
249.06018	0.6
267.13791	2.5
268.14359	0.1
279.13809	0.5
285.14709	1.1
301.16785	0.2
302.17114	0.2
309.14862	4.0
333.14844	1.9
334.14859	0.3
335.15036	0.2
335.82742	0.1
351.15894	1.6
357.27618	0.1
369.16864	0.3
380.42252	0.1
437.15820	0.4
455.16998	1.9
464.19165	0.6
491.19067	0.7
508.18130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.3
53.03940	3.1
55.01875	2.9
57.03431	3.0
61.02905	3.9
62.67506	1.1
65.03939	1.7
69.03434	15.8
70.03699	2.4
70.04069	2.6
70.06602	7.1
71.04973	2.3
73.02902	4.2
74.02380	1.7
77.03921	1.4
79.05485	5.2
81.03412	10.6
84.08150	1.8
84.21349	1.2
85.02901	49.0
86.09692	5.0
87.04472	8.9
91.03906	1.5
91.04940	2.5
91.05479	36.8
93.07031	2.0
94.04179	2.5
95.04949	4.0
97.02889	17.8
99.04476	3.2
103.03957	14.5
103.05466	42.4
105.03397	8.4
105.04510	2.1
105.07028	22.3
107.04941	4.6
109.02864	9.3
109.06512	8.0
111.04427	1.4
115.03934	27.7
115.05417	7.2
117.06979	1.9
118.04099	1.6
118.06541	2.0
119.04942	49.8
119.08584	1.8
121.06522	4.8
122.03633	4.7
123.08043	3.3
125.05970	1.7
127.03023	2.3
127.03908	24.7
129.06982	2.5
131.04924	100.0
133.02852	43.0
133.04973	8.2
133.06479	24.6
134.06020	7.5
135.08046	2.2
137.05972	91.1
138.06310	1.4
142.06506	4.3
143.04951	1.6
143.06023	2.6
144.08124	6.7
145.04958	30.9
145.06174	1.8
145.06577	2.0
145.07556	12.6
146.06046	8.5
147.04399	16.2
147.08041	3.4
148.03925	2.9
149.05934	5.7
151.03989	1.9
151.07527	23.0
157.04982	2.3
157.06404	2.4
159.08084	4.3
160.05121	2.3
161.05971	92.6
162.05490	10.7
162.06728	6.8
163.06075	3.9
163.07527	56.8
164.07916	1.3
165.05473	18.3
169.06421	1.9
170.06006	37.0
174.06827	1.7
175.06088	1.1
175.07533	23.3
177.05492	3.4
177.09068	1.6
179.07030	21.4
186.95251	1.2
187.07509	17.2
188.07057	57.5
189.07462	1.4
189.09079	4.9
190.04984	48.8
190.06639	2.9
191.07010	8.6
191.08533	2.2
193.08563	3.3
199.07582	2.3
201.09085	1.4
203.06967	5.2
203.08632	2.5
205.08571	10.2
215.06979	1.6
217.06989	5.7
217.09703	6.7
219.08044	3.8
223.14783	1.3
225.09113	1.3
229.08641	3.4
231.08133	3.3
233.08047	7.4
235.09610	4.3
247.07457	2.6
248.08096	1.6
251.10635	4.5
257.08075	5.4
259.07928	9.7
261.08716	8.1
270.08884	1.6
275.09106	3.3
276.07599	1.5
277.09058	2.6
279.10126	6.2
291.10120	8.1
293.10236	2.0
296.10522	1.6
309.11218	10.3
311.12781	16.9
313.37448	1.4
323.12799	10.0
329.13828	3.5
341.13831	18.0
359.14822	3.0
407.13300	2.9
422.14508	1.5
459.01352	1.6
466.13464	12.1
523.21051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05261	1.6
55.05512	27.0
57.03439	8.8
57.07067	13.3
60.14435	1.4
61.02924	25.0
67.05504	34.3
69.03424	5.9
69.07066	38.1
71.04984	1.6
71.08636	6.7
73.02917	10.1
75.04472	1.7
79.05488	17.5
81.03436	1.5
81.07057	48.3
83.05002	1.5
83.08620	35.6
85.02904	32.2
85.06539	2.4
85.10162	1.9
91.03951	22.3
91.05490	3.4
93.07053	24.6
95.04974	2.0
95.08608	36.8
97.02898	13.2
97.06541	8.5
97.10167	24.8
99.04472	2.3
99.08107	2.2
103.78193	1.6
105.07057	2.0
107.08592	18.4
109.10155	15.3
111.08087	6.1
111.11723	4.0
113.09601	1.6
115.03904	1.8
121.10143	43.1
123.11689	12.4
125.09634	3.4
127.03893	11.8
129.05458	1.8
135.11690	30.3
137.13260	8.9
139.11176	2.9
145.04945	12.3
149.13237	13.1
153.12781	1.9
157.10260	1.7
163.06027	21.4
163.14854	5.8
177.16435	2.5
198.36351	1.6
204.51024	1.5
219.21074	43.8
237.22127	93.4
238.22444	2.6
255.23180	27.4
311.25784	100.0
312.26184	3.1
329.26859	86.8
330.27191	2.2
437.94080	1.6
473.31058	8.0
670.40002	2.5
671.40631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32856	0.5
55.01878	5.2
55.05513	21.9
56.47856	0.6
57.03442	7.3
57.07069	0.7
59.04997	1.2
61.02920	1.4
65.03915	0.9
66.56725	0.6
67.05507	27.7
69.03427	5.1
69.07067	7.1
71.04995	4.9
73.02913	0.9
79.05492	28.2
80.05837	0.7
81.03422	14.9
81.07060	24.8
83.04998	4.1
83.08624	14.8
85.02906	3.4
85.06544	2.1
87.04467	1.3
91.05479	16.3
91.06057	0.9
93.07047	20.1
95.04972	17.2
95.08614	12.6
97.02899	2.0
97.06544	4.3
97.10172	22.4
99.04481	0.8
103.05494	0.8
105.04508	1.1
105.07032	12.3
107.04958	19.1
107.08598	15.6
109.02882	1.7
109.06525	11.8
109.10165	10.9
110.10463	0.6
111.04459	1.7
111.08086	2.7
113.06021	0.9
115.05499	0.8
117.07034	7.8
119.04957	1.4
119.08580	8.3
121.06516	13.0
121.10149	7.9
123.04446	1.3
123.08091	5.5
123.11710	2.6
125.06040	1.4
125.09633	22.6
127.03912	1.0
128.06212	0.8
129.07008	6.9
131.04951	3.6
131.08569	11.1
133.06480	4.8
133.10147	3.9
135.04462	1.2
135.08073	7.0
135.11694	3.5
137.05980	1.5
137.09641	2.4
139.07620	0.6
139.11172	2.0
141.06998	2.5
142.07738	1.1
143.08578	3.2
145.06491	9.7
145.10120	6.2
147.04413	2.4
147.08052	5.3
147.11676	4.9
149.05981	1.0
149.09651	3.6
149.13252	0.7
151.07579	0.9
151.11208	0.7
153.09077	3.9
153.12813	1.3
155.08586	2.3
157.06506	2.1
157.10158	3.7
159.08090	2.4
159.11676	3.3
161.05988	1.7
161.09660	2.7
163.07513	1.0
163.11183	5.3
165.09102	11.4
165.12767	0.9
167.08606	1.7
167.10695	1.9
169.06456	1.0
169.10159	2.6
171.08093	2.7
171.10153	1.6
171.11726	4.1
173.09633	2.6
173.11847	1.3
173.13295	2.0
175.07567	1.3
175.11177	3.4
177.12773	2.4
181.06433	1.0
181.10184	1.6
183.08002	1.0
183.11732	1.5
185.09608	2.0
185.13258	1.8
187.11235	2.5
187.14795	0.9
189.09381	1.1
189.11241	10.2
189.12801	2.2
191.10645	1.1
191.14352	1.6
193.10358	1.0
193.12244	6.4
195.08076	1.0
195.11717	2.3
195.13757	0.7
197.09698	1.9
197.13243	2.5
197.14891	0.6
199.11212	3.3
199.13193	1.2
203.14322	1.2
205.12248	2.2
209.13313	1.3
211.11191	1.7
211.13312	2.1
213.12793	1.8
215.10703	0.8
215.14287	3.3
217.12241	1.6
219.13805	3.4
223.11214	1.3
223.13312	2.0
225.12779	2.6
227.12463	3.2
227.14610	1.3
229.14305	0.9
230.14699	0.6
231.13779	1.4
233.15384	6.6
235.11118	0.8
235.13116	1.3
237.12727	2.6
237.14867	1.3
239.14455	0.8
241.14229	1.0
243.13881	1.3
245.15381	1.2
247.17090	0.6
249.14777	1.3
255.13832	3.1
257.15546	1.2
259.13300	2.0
261.14941	0.8
265.15491	0.7
267.15918	9.2
269.15692	0.8
271.17038	1.1
273.14783	9.9
275.16574	0.8
287.16516	1.7
289.18002	0.7
291.15939	1.4
293.17444	1.8
303.20886	0.8
310.38739	0.7
321.22290	1.1
329.17639	0.8
331.20468	1.2
339.22943	3.3
349.21579	8.2
357.24335	2.9
367.22687	27.4
368.22977	1.4
385.23715	37.8
386.24008	2.4
403.24820	13.5
421.25940	1.0
423.25464	1.6
433.24936	0.7
441.26355	9.1
459.27411	100.0
460.27612	5.8
463.71634	0.6
477.28497	78.2
478.28897	4.3
491.30002	10.3
501.28064	1.3
509.31003	4.4
567.29291	0.9
653.32153	0.8
671.32574	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	671.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65094	2.6
67.05518	9.7
71.44352	3.1
77.04018	2.6
77.51662	2.2
81.07080	8.0
93.07070	2.8
95.08603	4.1
103.34395	2.7
109.10157	3.1
134.39604	2.7
171.91676	2.3
204.13885	5.3
241.16385	2.6
264.58173	2.4
319.22418	3.3
368.58978	2.8
375.25220	6.1
379.15829	2.6
388.21597	3.9
490.88705	3.1
533.49518	2.9
671.48633	100.0
672.48828	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	672.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03936	1.6
55.01878	1.8
57.03432	1.3
61.02929	1.7
67.05524	0.7
68.99793	1.8
69.03433	6.0
70.06582	0.6
70.53201	0.8
71.01360	0.5
71.04982	0.6
72.95544	0.4
73.02912	1.3
77.03934	1.0
79.05487	1.2
81.03417	3.6
81.07069	0.6
83.01340	0.8
84.08127	0.7
85.02402	0.8
85.02908	15.6
87.00830	5.2
87.58182	0.4
91.05478	5.3
93.07047	8.4
95.04980	2.3
95.08611	2.0
97.02888	7.3
99.04456	1.9
103.03979	0.7
103.05460	6.2
105.01863	5.1
105.04520	0.6
105.07037	3.1
107.04959	5.8
109.02875	4.0
109.06541	0.5
117.01859	0.5
117.07021	0.6
119.04954	0.7
119.08606	0.6
121.06504	100.0
122.06827	2.2
123.08073	3.4
125.05960	0.9
127.03922	8.1
129.01845	2.2
131.04929	1.1
133.06488	3.3
137.05997	2.3
139.07547	0.7
145.04962	3.8
145.06456	0.9
147.02837	2.0
147.08049	2.5
149.05974	1.4
151.07539	69.0
152.07901	1.4
159.02875	2.3
159.08144	0.6
161.05994	0.4
163.07506	0.5
171.08041	0.5
174.06752	1.0
175.07545	10.7
177.05466	0.5
180.08633	0.4
187.07542	1.0
189.03882	1.3
189.09128	0.5
191.07103	0.9
199.07465	0.5
209.08014	0.8
213.03902	0.6
217.08569	2.5
227.10597	1.9
229.08614	1.2
231.04944	2.7
239.10706	1.8
241.08554	1.1
241.12506	0.4
245.11731	76.5
246.12086	2.4
249.06088	1.3
251.10718	1.1
259.09717	0.6
265.11990	0.6
269.11728	34.2
270.12024	1.1
275.10629	0.6
281.11682	3.0
287.12775	3.2
293.11646	1.0
307.13376	1.0
311.12766	28.4
312.13052	1.4
335.12747	10.8
336.12906	0.7
353.13843	14.5
354.14429	0.8
354.18982	1.1
371.14987	1.2
397.12762	1.1
425.93195	0.4
439.13950	2.3
457.14963	6.7
475.16516	0.4
548.61823	0.4
672.25195	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	672.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66714	1.1
51.10234	0.9
53.03947	5.0
55.01870	5.4
57.03427	4.3
61.02928	3.5
63.88264	1.0
64.03951	1.2
68.99786	2.0
69.03433	17.5
69.20850	1.6
69.21258	5.2
70.06588	2.9
71.04981	4.3
72.08157	1.1
73.02917	4.9
77.64185	0.9
78.26114	0.9
79.05500	4.9
81.03416	19.3
81.07072	1.5
83.01376	1.4
83.05024	0.9
84.08150	2.7
85.02905	58.1
86.09688	1.3
87.00832	20.2
88.00082	0.9
90.21249	1.1
91.03961	1.1
91.05478	7.7
93.07035	1.6
95.04980	1.5
95.08585	1.4
96.40084	1.1
97.02887	23.8
99.04459	10.3
103.05454	2.8
105.01868	25.6
105.07031	91.6
106.07355	1.9
109.02888	19.5
115.03960	1.3
117.01871	3.3
117.05505	1.2
121.06490	4.5
122.09662	1.5
125.47775	1.1
127.03915	44.3
129.01846	3.0
136.11221	1.1
145.04962	24.3
147.02855	2.9
149.05977	1.6
150.52615	1.0
153.05423	1.1
159.02946	9.9
167.07031	16.3
177.04041	1.2
188.94121	1.2
189.03938	3.1
199.11159	1.8
213.03903	3.5
227.10709	3.8
231.05013	12.7
239.10764	1.3
243.10135	2.4
244.10458	2.1
245.11746	100.0
246.12105	3.8
249.06070	4.7
267.10165	1.7
269.11777	9.3
274.43976	1.2
277.21454	1.7
287.12766	2.8
295.22586	1.4
311.12747	8.5
314.20743	1.2
320.18582	1.5
335.12875	6.2
353.13730	4.5
457.15015	5.8
482.29199	1.2
493.16812	1.9
672.24847	2.3
672.34534	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	672.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89955	1.7
53.03939	1.6
55.01874	3.1
55.05305	1.2
55.05521	10.7
57.03436	6.4
67.05505	18.2
69.03419	1.9
69.07074	5.4
69.20764	6.4
70.80392	1.4
70.89665	1.4
71.04977	2.8
79.05492	23.7
79.53296	1.4
81.03423	12.9
81.07056	22.8
82.53806	1.5
83.01347	4.1
83.04978	13.4
83.08626	8.9
85.02919	2.4
85.06548	2.0
91.05485	30.6
93.07047	20.1
95.04958	10.2
95.08606	6.4
97.02893	3.2
97.06533	2.9
97.10162	2.2
99.04456	1.5
105.04517	1.6
105.07030	17.9
107.04934	14.1
107.08594	7.2
109.06527	4.6
109.10149	2.4
111.48823	1.2
117.06987	1.6
119.08569	11.6
121.06492	3.0
121.10145	5.5
123.08084	3.4
125.09644	1.5
129.07019	6.8
131.08589	5.4
133.10136	15.2
135.11681	4.9
137.09618	2.2
145.10121	8.9
147.08055	2.9
147.11694	5.9
149.09677	2.6
153.12822	1.3
157.10121	7.6
161.06000	1.7
163.11235	12.2
175.11205	6.4
191.10680	2.1
193.12265	9.9
209.11656	2.2
227.12796	2.0
265.14374	2.0
267.15897	49.3
276.90125	1.5
283.15396	31.0
369.17899	1.6
457.25803	9.3
475.26895	100.0
476.27103	6.1
493.28311	2.4
673.33258	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	672.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34024	1.9
52.38476	2.0
53.04844	2.2
55.01870	8.0
55.05514	20.9
57.03440	15.7
59.05013	4.0
61.02924	6.5
65.38882	2.1
67.05508	23.0
69.03431	5.4
69.07066	7.6
71.04987	6.6
79.05499	25.9
81.03422	58.2
81.07058	25.1
83.01356	5.4
83.04980	7.2
83.08633	22.8
85.02898	9.1
86.06055	2.9
91.03951	3.8
91.05474	18.1
93.07051	24.5
95.04964	21.6
95.08614	8.1
96.08135	3.1
97.02898	5.4
97.06522	4.3
97.10172	8.3
99.04493	2.7
105.07050	16.1
107.04934	10.9
107.08578	18.8
109.02934	4.6
109.06512	6.3
109.10138	3.6
111.08092	7.5
117.06998	6.0
119.08566	10.9
121.06480	5.2
121.10133	10.2
123.08056	6.8
125.09624	4.5
129.07025	5.5
131.08585	8.0
133.06509	3.2
133.10152	5.8
134.10674	2.1
135.08070	3.6
135.11682	8.4
139.97699	1.9
142.08659	2.7
143.08524	2.4
145.10092	13.5
147.08025	4.7
147.11679	6.8
149.09578	4.0
153.12747	2.6
155.08580	2.6
157.10153	4.1
161.06003	4.6
163.11171	17.5
171.11722	2.9
173.09572	2.6
175.11183	5.7
181.12257	3.2
193.12199	12.9
207.13872	2.3
212.16425	18.8
227.12865	6.0
238.18015	7.6
256.19110	20.3
267.15942	42.4
269.00250	2.5
269.17523	3.2
273.14923	2.7
283.15399	49.1
289.14499	3.1
365.21072	2.5
372.02884	2.2
383.22260	22.6
401.23199	9.7
419.24371	5.0
424.30453	9.8
439.24844	2.2
457.25906	34.3
475.26605	100.0
476.26886	8.1
493.27786	13.1
500.84064	2.4
504.23981	2.7
528.52844	2.6
672.36969	4.4
673.34119	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	672.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26418	0.2
55.05487	0.5
58.06570	0.2
65.03924	0.4
67.05479	0.3
68.05007	0.5
69.03401	0.5
69.06993	0.3
69.40004	1.2
70.06543	1.0
79.05437	0.8
80.05019	1.4
81.05797	2.5
81.07005	0.8
82.06581	1.1
83.07347	0.5
84.08141	8.5
85.60746	0.2
90.79778	0.2
91.05477	2.6
93.06999	0.7
94.06525	0.5
95.04951	0.3
95.07314	0.3
95.08560	0.8
96.08120	1.0
97.08865	0.9
98.22535	0.3
99.04517	0.2
105.07043	1.4
106.06516	0.3
107.08585	0.6
108.08124	1.2
109.08828	0.3
110.09619	0.9
115.05443	0.3
117.07005	1.4
119.04925	2.0
119.08565	0.7
120.08107	1.8
121.06494	1.5
122.08825	0.3
122.09663	4.6
123.08010	0.5
123.10397	0.9
124.11197	0.5
125.09579	0.5
128.07065	0.2
129.07004	0.4
131.04939	0.2
131.08513	0.3
132.08044	0.3
133.06483	7.3
133.10104	0.3
134.09657	4.8
134.74786	0.2
135.04398	0.6
135.08066	0.3
135.11615	0.3
136.10199	0.4
136.11215	6.7
137.05937	1.0
137.12006	3.1
138.12788	2.9
142.07758	1.3
145.02805	0.4
146.09610	0.3
147.08026	0.3
147.11644	0.4
148.07553	0.7
148.11136	0.5
150.12794	3.1
151.07446	0.4
151.13559	1.6
153.09200	0.2
157.08864	0.4
157.10127	6.6
160.08815	0.5
160.11220	0.4
162.12746	0.4
163.03932	2.4
164.14343	1.0
165.09142	0.3
166.08478	0.2
167.07051	0.3
174.12805	0.5
175.11176	14.6
176.11476	0.2
176.14346	0.3
178.15854	1.6
179.16692	1.1
180.10155	0.5
180.17319	0.3
182.11787	0.4
188.14381	0.5
196.13214	0.6
200.14331	0.3
202.12152	0.2
202.15904	2.2
216.13863	0.3
218.11981	0.2
220.13319	0.6
230.19043	0.6
234.15004	0.3
236.16566	0.3
248.20139	0.7
258.18512	1.5
264.44592	0.3
268.10727	0.4
272.16452	0.6
274.18036	0.4
276.19568	100.0
277.19897	4.4
290.17535	0.9
301.09030	0.5
318.17099	3.1
318.20557	0.2
319.17511	0.3
321.11157	0.3
323.91061	0.3
336.17944	0.9
336.21628	4.2
383.60666	0.2
438.25214	0.4
445.16315	0.5
447.18280	0.2
480.26154	1.2
496.26022	0.3
498.26962	10.1
499.27411	0.8
510.23401	0.7
672.27094	3.2
672.37384	50.2
673.27142	0.7
673.37726	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	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57405	0.5
53.91355	0.4
55.05506	3.9
57.03441	3.4
57.07075	34.7
61.02631	0.9
61.02925	13.7
67.05504	8.3
69.03432	1.3
69.07067	7.7
71.04958	0.5
71.08630	31.4
72.08965	0.6
73.02920	6.1
75.04489	1.8
81.03415	1.3
81.07057	15.2
83.08619	12.8
85.02902	16.5
85.06520	0.6
85.10178	16.4
89.06003	0.6
91.03951	13.6
91.05512	0.6
95.08606	21.0
97.02897	8.3
97.10172	5.5
99.04463	0.5
99.11722	1.1
103.07591	0.7
103.69619	0.4
105.07074	0.6
109.10155	9.3
111.11732	1.6
115.03893	0.5
123.11687	5.5
125.13236	0.7
127.03918	4.8
135.07994	0.7
135.11746	0.5
137.13252	2.6
145.04959	8.6
150.48531	0.5
151.07574	0.7
159.80769	0.5
163.06027	13.1
165.16351	0.6
221.22633	1.2
239.23692	19.9
240.24011	1.0
257.24753	4.5
261.42352	0.5
277.25806	0.5
313.27362	100.0
314.27753	3.5
331.28415	48.7
332.28830	1.7
400.21158	1.0
475.32880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85508	0.2
53.03952	0.2
55.01877	0.3
55.05510	4.0
57.03439	4.0
57.07075	34.5
58.07426	0.3
61.02924	11.7
65.03942	0.3
67.05501	8.1
69.03432	1.6
69.07069	6.3
69.77238	0.9
71.05019	0.4
71.08630	28.3
73.02919	4.1
75.04474	1.6
79.05477	0.4
81.03414	0.4
81.07056	13.6
83.08120	0.5
83.08619	11.3
85.02904	15.1
85.06544	0.8
85.10182	17.2
87.04464	0.4
89.06052	0.9
91.03957	11.4
91.05496	0.5
93.07059	0.6
95.08604	21.6
96.92226	1.7
97.02885	7.1
97.03486	0.4
97.10172	4.7
99.04449	0.8
99.08092	0.4
99.11747	1.3
102.09173	0.3
103.03945	0.4
103.07583	0.9
105.07030	0.3
109.02891	0.6
109.10152	10.0
111.11746	1.3
112.63285	0.3
113.13302	0.7
115.03928	0.8
117.05466	0.3
117.09174	0.4
118.34132	0.2
121.06503	0.4
123.11719	4.4
125.13284	0.9
127.03923	4.5
137.13261	2.2
139.14836	0.3
145.04950	6.0
151.14824	0.6
158.70346	0.3
163.06021	9.1
165.16411	0.6
181.93904	0.3
202.60094	0.3
207.06583	0.3
213.76376	0.3
221.22681	1.1
239.23680	19.6
240.24036	0.7
257.24750	4.6
298.27463	0.7
313.27353	100.0
314.27710	3.6
331.28412	33.4
331.71115	0.3
332.28790	1.4
401.29144	0.4
457.31332	0.4
466.31232	0.3
475.32779	2.8
583.52765	0.3
637.37524	0.4
672.37622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	2.1
69.15309	1.0
70.06598	2.3
71.43798	1.5
81.45151	1.2
85.02905	1.1
90.94476	1.1
98.97613	3.8
126.72660	1.1
128.98647	1.9
204.52357	1.2
219.01855	2.8
237.02867	4.5
240.11693	1.4
330.89954	1.3
336.24484	1.5
388.43472	1.2
415.10675	2.3
487.13202	1.3
559.14954	9.1
577.15900	1.6
662.03235	1.5
673.18866	100.0
674.19055	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	673.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80787	0.5
53.03962	1.1
55.01883	0.6
56.05036	0.8
60.04525	1.7
61.02925	1.1
68.05036	0.8
69.03439	2.5
69.19371	2.1
69.19775	1.0
70.06602	1.0
71.04993	0.8
72.04506	0.8
80.05009	1.2
81.03426	3.7
82.06567	0.6
83.04994	0.6
84.04506	26.1
96.04495	12.7
96.05103	0.3
97.02899	3.9
98.06055	8.2
98.22651	0.6
99.04469	1.0
101.02415	0.6
108.04491	0.9
108.48958	0.5
108.73820	0.5
109.02852	4.3
114.05530	1.2
126.05515	44.8
127.03904	2.5
129.10374	0.5
130.05650	1.0
130.06538	10.4
133.43120	0.5
138.05501	100.0
139.05824	1.2
144.06564	23.8
168.06573	24.7
169.06770	0.6
172.07668	0.8
186.07614	27.7
187.07956	0.7
188.88486	0.5
204.08676	87.8
205.09010	1.7
338.12308	1.9
526.47528	0.5
555.20837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3412
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.03955	0.7
55.05509	0.9
57.03447	1.5
59.04999	0.5
61.02929	3.2
63.22358	0.3
65.89815	0.3
67.05508	6.0
69.03428	2.3
69.07072	0.8
71.05009	1.2
73.02916	3.0
79.05499	1.4
81.03421	3.6
81.07050	1.9
83.04996	0.9
83.08628	1.0
85.02906	4.4
85.06576	0.4
87.04480	0.6
91.03959	1.8
91.05493	1.7
93.07057	1.5
95.04971	1.6
95.08614	0.9
97.02888	2.7
97.06547	0.7
98.23509	0.7
99.04453	0.7
100.91647	0.3
101.02369	1.6
103.03956	0.3
105.07050	1.3
107.04950	0.5
107.08614	0.8
109.02885	0.5
109.06534	0.4
109.10154	6.0
111.08171	0.3
111.43922	0.3
119.08627	1.1
121.10183	1.1
127.03944	1.4
129.07047	0.5
131.08597	1.0
133.10167	1.1
147.11722	1.2
149.09676	1.0
155.10696	0.8
157.10173	0.7
162.12868	0.4
167.04384	0.3
173.11804	1.3
175.11177	0.6
185.04306	0.3
193.12302	1.3
195.10042	0.9
205.08736	0.4
225.14923	0.4
229.14374	1.1
233.11525	0.3
235.13710	0.3
243.08417	2.0
251.12697	0.4
267.15860	0.9
283.15137	4.2
339.17844	0.7
413.17838	10.0
459.27585	0.4
469.21133	0.4
477.28271	0.6
501.23080	10.1
511.28879	0.5
528.83160	0.4
656.26575	0.8
673.34070	100.0
674.34369	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	673.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21614	0.2
55.01881	1.1
56.05005	0.2
66.07050	0.2
67.05486	0.3
69.03404	0.9
70.06577	0.5
73.28387	0.2
79.05482	0.2
79.15891	0.3
81.07020	0.2
84.08125	0.6
91.05450	0.2
93.07044	0.3
94.06551	0.5
96.08065	0.3
108.08095	0.5
109.06526	0.3
109.10110	0.3
110.09682	1.9
111.08082	0.3
119.08551	0.3
122.09616	0.4
122.94583	0.2
124.11223	0.4
125.05990	1.9
125.09617	0.3
131.08540	0.3
131.84941	0.2
134.09627	0.5
136.11206	4.1
146.09645	0.4
147.11729	0.2
148.11166	0.5
150.09055	0.2
150.12714	0.6
152.10706	0.4
153.75745	0.2
160.11220	0.6
161.11992	0.3
162.12766	2.0
164.10666	0.5
164.14323	0.2
174.12776	1.5
175.13574	0.4
176.14267	0.3
180.13759	0.3
182.11754	0.4
192.13782	0.6
198.14706	0.3
202.15863	0.5
210.14893	2.0
216.13847	1.1
220.16893	0.9
222.14850	1.7
230.15413	0.8
248.16455	34.4
249.16837	1.4
258.18719	0.3
262.18082	0.4
275.20825	0.2
280.19092	2.3
304.19125	0.5
322.20148	7.8
336.21674	22.5
337.22000	0.9
354.22739	100.0
355.23077	4.5
399.71475	0.2
432.66190	0.3
454.18695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05513	0.7
61.11803	0.3
63.29599	0.3
64.42190	0.3
65.22388	0.3
67.05511	0.4
68.05042	0.3
69.03433	0.9
69.05811	0.4
70.06588	3.7
71.04991	1.6
79.05479	0.3
81.07055	0.4
82.06572	0.8
83.01322	0.7
83.07352	0.4
84.08145	14.8
85.08467	0.4
91.05486	0.6
92.94067	0.3
93.07040	0.6
94.06592	0.4
95.04959	0.3
95.08624	1.3
96.04461	0.3
96.08139	1.2
97.06563	0.4
97.08929	1.6
100.07641	0.4
105.07081	0.4
107.08519	0.4
108.08147	1.5
109.08882	0.3
110.09673	1.5
110.73789	0.3
115.03960	0.5
122.09673	4.3
123.08046	0.7
123.10466	1.0
124.11251	1.8
125.05994	0.9
125.09614	0.3
134.09688	0.7
135.10455	0.3
135.11795	0.3
136.11217	7.2
137.06038	0.8
137.12019	2.7
138.12781	1.9
143.03436	0.4
146.09642	0.4
147.04337	0.3
148.11218	0.9
149.05940	0.4
149.11989	0.5
150.12787	1.6
151.07533	0.3
155.07043	1.2
160.11214	0.5
161.05962	0.4
162.12714	1.9
163.13609	0.4
164.14340	1.4
165.15161	0.7
166.15938	0.6
174.12701	0.7
180.13867	0.7
182.11888	0.4
192.13849	0.6
194.15382	0.8
202.15909	0.6
209.08264	0.3
210.14900	7.0
216.13802	0.7
219.06407	0.4
220.17105	0.3
222.14917	1.0
230.15514	0.3
232.17079	0.5
247.09792	0.4
248.16460	25.1
249.16943	1.3
256.15439	0.9
262.17987	0.5
265.08408	0.3
276.15921	0.4
276.19565	0.6
280.19067	1.2
286.18222	0.4
292.19159	1.4
304.15598	0.3
304.19025	0.6
308.18658	0.8
310.20148	0.7
312.42172	0.3
318.17099	0.4
320.18588	2.7
322.20163	6.0
323.20383	0.5
336.17996	11.0
336.21729	22.2
337.18369	0.6
337.22018	1.0
354.19055	100.0
354.22839	56.8
355.19427	5.0
355.23184	2.9
450.31342	0.3
565.18896	0.3
673.26501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01250	0.7
57.07071	3.6
57.16915	0.7
58.06594	1.0
58.74035	0.7
62.56894	0.6
65.03943	0.7
69.60835	2.4
70.06567	1.0
71.08639	1.1
72.08157	11.9
84.66612	0.7
90.09201	10.3
96.01070	0.7
133.70467	0.8
194.09026	0.7
258.27936	100.0
259.28323	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
58.83995	1.1
60.15186	0.9
68.99783	1.9
69.03439	1.5
69.32076	4.6
70.06567	2.4
70.88916	1.0
72.08155	1.1
78.83421	1.0
79.05515	1.0
82.03400	0.9
83.01319	1.2
85.04150	1.0
86.09741	1.4
88.66341	1.1
91.05479	1.3
94.04205	1.3
108.28156	1.0
109.02853	1.4
115.05463	1.9
119.04934	4.3
122.03648	4.0
124.05209	1.5
125.02309	1.0
131.04933	3.4
133.06436	1.1
137.02414	1.5
137.05978	63.9
138.06354	1.7
141.01817	5.1
141.03452	1.0
143.04958	1.4
145.06464	1.6
147.04405	42.4
149.05968	1.6
151.03896	1.6
153.01826	1.0
161.06026	6.9
171.04414	2.9
173.05927	3.0
175.03931	4.0
175.07564	2.4
177.05466	10.9
178.86929	1.1
179.05051	1.6
179.07016	3.6
183.04416	5.3
185.06004	1.1
189.05463	66.1
193.04927	2.3
197.05992	2.5
199.03873	5.8
201.05476	5.5
203.03386	100.0
203.07111	3.1
204.03806	2.2
207.04422	2.1
211.03929	7.8
213.05473	5.6
215.06900	1.1
217.04956	16.2
217.08495	1.9
219.06508	4.6
225.05533	3.2
227.03391	4.5
229.04948	12.2
230.05820	1.1
231.06511	1.6
235.03848	2.5
239.03426	2.5
241.05081	1.8
241.33026	1.1
243.06526	3.6
245.04474	14.2
245.08104	3.2
247.05974	12.0
253.04936	30.3
255.02975	6.4
255.06398	5.1
257.04440	45.6
258.05167	2.9
259.06021	9.4
267.06439	1.9
269.04440	1.8
269.94949	1.2
271.06003	7.6
273.03909	3.8
281.04437	36.2
282.05197	1.3
283.05939	4.1
289.07077	8.3
295.05978	4.0
299.02066	2.1
299.05487	41.3
300.05713	1.7
301.07111	1.4
311.05548	3.5
323.05524	3.5
341.06668	1.3
362.07849	1.4
386.07553	1.7
390.07413	1.9
401.10175	2.3
405.09671	28.1
419.11273	20.7
423.10724	49.5
424.10721	2.2
429.09595	3.0
436.23438	6.4
437.23502	4.0
438.23688	1.4
447.10745	68.6
448.10919	3.3
465.11804	38.2
466.12003	1.3
473.11017	1.4
491.11844	31.4
492.12335	1.9
492.19006	4.3
493.19257	2.5
640.90326	1.1
657.24164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
60.59158	0.5
68.99776	2.8
69.03381	0.5
70.06555	1.9
71.44263	0.5
71.44598	0.4
73.53751	0.4
81.03406	0.6
84.08121	0.5
85.02886	0.5
86.09675	1.1
88.62337	0.4
91.05457	1.0
93.03384	0.5
94.04135	0.7
98.97554	0.8
99.37782	0.4
111.04438	0.8
119.04927	1.4
122.03609	2.3
123.04387	1.6
129.10249	0.4
133.02815	0.6
133.06427	0.6
135.04370	1.5
137.01302	0.7
137.02347	12.5
137.05974	44.6
139.03868	1.0
141.01776	0.6
141.06934	2.0
147.04387	8.5
149.05931	1.6
151.03854	1.3
155.04831	0.6
157.06441	0.8
161.04712	0.8
161.05984	11.1
163.03909	3.4
169.06473	3.6
171.04324	0.7
173.05966	4.1
175.03893	9.1
175.07501	1.4
176.04208	0.6
177.05470	1.2
179.06978	0.8
181.06444	0.4
183.04399	1.4
185.05969	0.7
187.07492	2.2
189.05525	2.2
197.05994	6.6
199.07445	0.4
201.05467	8.8
203.03392	9.6
203.06999	1.4
211.03922	1.1
215.07045	6.3
225.05446	6.1
227.06859	0.5
229.04967	12.6
239.06998	0.9
242.05849	0.7
243.06528	13.9
247.05962	0.9
253.04886	3.7
255.06564	0.6
257.04410	3.4
271.05994	71.9
272.06342	1.3
273.07538	4.8
274.97507	1.5
281.04504	1.1
283.05707	0.5
285.07263	0.4
292.98480	0.8
295.05997	1.2
297.07462	0.7
299.05496	91.9
300.05811	2.0
317.06573	2.7
323.05511	3.8
391.11612	1.3
418.22574	0.5
419.11206	4.2
447.10800	5.8
465.12131	0.7
473.10757	3.2
491.11826	100.0
492.12122	3.4
515.11823	1.8
639.16956	1.0
674.17957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66012	1.1
52.61752	1.0
55.01867	5.2
63.94319	1.1
65.03955	1.7
68.99790	4.4
69.74525	4.7
70.06589	6.2
72.08145	8.5
83.04975	1.5
84.04497	1.6
84.08153	7.5
86.09711	20.2
87.10034	3.3
91.05501	2.1
110.07163	1.2
111.00798	2.0
115.05409	1.2
119.04963	5.1
122.03663	5.8
123.00827	1.8
123.04383	1.8
124.05224	1.4
129.10265	3.5
130.08630	1.6
131.04938	2.3
133.06464	2.0
135.04431	1.3
137.02338	5.8
137.05974	100.0
138.06384	1.3
139.03754	1.2
141.01825	5.0
143.04933	2.4
147.04411	27.8
147.11322	2.1
149.05984	3.0
155.04935	3.5
158.03633	1.4
159.04321	1.8
161.05974	8.6
163.03949	2.3
169.06549	1.3
171.04381	7.8
173.05974	3.1
175.03914	8.6
175.07582	3.4
177.05464	3.5
179.07027	4.2
185.06003	3.1
187.03899	2.0
189.05455	13.6
193.04938	1.6
193.08623	1.5
197.05992	3.7
199.03899	23.7
201.05472	21.1
203.03386	73.0
204.03654	1.9
204.23849	1.2
209.05931	1.5
211.01903	1.9
211.03896	35.2
211.05801	2.3
212.04172	2.2
213.05449	10.8
215.07014	2.9
217.04999	3.5
217.08508	1.9
219.06459	2.7
221.08070	1.9
225.05437	5.8
227.03387	37.6
227.13902	3.3
229.04942	10.8
235.04068	1.4
237.05623	1.5
239.03384	35.0
240.03856	1.6
241.04927	2.4
243.06406	6.3
245.04501	8.3
245.08157	2.4
247.05981	9.6
253.04953	8.4
255.06523	4.0
257.04434	34.3
259.06061	5.8
267.06393	1.6
269.04584	1.3
271.06000	29.2
273.07523	1.5
281.04437	41.5
282.04880	1.8
283.06027	4.6
287.05362	1.6
289.07114	2.0
297.07852	1.4
299.05499	57.5
300.05728	1.9
311.05511	4.8
317.06308	1.4
323.05566	4.8
326.20688	1.8
387.08215	1.8
391.11670	1.7
401.10303	6.4
403.11566	1.6
405.09647	14.4
419.11133	5.2
423.10742	12.6
429.09637	10.4
447.10742	73.3
448.10956	3.4
465.11795	39.9
466.12234	1.7
491.11804	58.8
492.12244	2.6
515.11835	1.7
673.39734	9.5
674.40210	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	674.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
67.05517	0.6
69.03431	2.0
70.06600	0.9
71.05013	1.4
79.05502	0.6
81.07069	0.7
83.05014	0.8
83.94129	0.5
84.08143	0.7
89.03928	2.6
93.07032	0.9
94.06572	1.2
95.04998	1.7
99.04470	1.3
105.07010	0.9
107.04977	1.0
107.08609	0.9
107.98326	0.5
108.08107	0.6
110.09686	1.2
117.03356	3.7
118.56017	0.5
120.04685	0.5
120.08131	1.5
122.09683	1.2
123.04478	0.7
125.05993	0.5
125.09647	1.6
128.18666	0.5
131.08638	0.4
134.09656	1.6
135.04404	8.6
136.11221	8.7
137.06119	0.6
137.12000	0.6
138.09180	0.7
145.02826	5.7
145.62419	0.5
146.09689	0.9
146.49966	0.6
148.07593	1.1
148.11258	2.0
149.12027	2.1
150.09160	1.2
150.12788	2.7
160.11324	0.6
162.09135	0.8
163.03902	34.7
164.04263	0.6
165.11499	0.6
166.08652	1.4
174.12837	0.7
178.12280	1.3
181.05003	0.8
186.12866	0.5
192.10274	0.7
204.13814	2.6
218.11931	0.6
218.15392	5.1
220.13382	1.1
222.14896	12.4
222.16983	0.8
232.13408	1.5
246.15053	1.8
250.14172	0.5
256.16959	1.5
264.15945	12.9
265.16272	0.6
273.18900	0.5
274.18042	4.3
276.19617	0.8
283.13171	3.7
292.19077	20.6
292.22299	1.1
302.17868	0.6
310.16583	1.2
320.18579	26.0
321.18912	1.2
338.19617	48.1
339.20190	3.1
448.23187	1.5
471.48761	0.6
494.23804	1.3
512.24847	3.6
543.13342	0.6
592.92432	0.5
628.26392	0.5
630.28595	2.9
656.26361	2.7
674.28058	100.0
675.28436	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05260	0.8
55.05515	12.5
57.03437	14.3
57.07087	0.9
59.04996	0.8
61.02929	4.1
65.03944	0.9
67.05506	21.8
69.03439	3.9
69.07062	5.0
69.49349	1.0
69.49741	1.0
70.06583	1.0
71.01369	0.6
71.04990	4.0
73.02914	1.4
77.03928	0.6
79.05037	1.0
79.05498	21.5
81.03419	96.6
81.07059	21.3
82.03761	0.7
83.04987	10.1
83.08624	22.3
85.02911	15.4
85.06544	1.5
88.07635	0.9
91.03965	2.2
91.05485	29.7
91.32506	0.4
93.07048	16.3
95.04973	30.9
95.08611	8.7
97.02880	5.4
97.06537	3.1
97.10170	4.7
99.04453	0.6
99.08102	1.1
102.05544	0.6
102.09159	0.7
103.05466	0.7
105.04550	0.9
105.07029	20.3
107.04967	8.3
107.08593	8.5
109.02899	0.5
109.06526	4.0
109.10155	3.3
111.04453	3.0
111.08086	8.3
113.06012	1.4
114.02240	0.5
115.05443	1.8
116.97738	0.4
117.07036	3.7
119.04955	1.1
119.07738	1.0
119.08589	19.1
121.06505	3.8
121.10148	9.9
123.04438	1.5
123.08067	2.9
123.11711	1.0
125.05982	0.5
125.09628	3.0
127.03916	0.5
128.06212	0.8
129.07011	13.0
131.04955	1.0
131.08565	12.7
133.06491	4.0
133.10132	7.9
135.08031	1.0
135.11691	1.6
137.09610	2.0
141.06944	0.6
142.07799	3.1
143.08580	1.5
145.06506	3.7
145.10150	3.3
147.04448	0.6
147.08073	5.0
147.11685	10.6
149.02357	1.8
149.09610	5.7
149.13257	0.8
151.11125	0.6
155.08528	1.0
157.06590	1.2
157.10138	14.1
159.08046	0.9
159.11765	0.9
161.05969	1.0
161.09639	0.7
163.11150	2.8
165.12761	2.9
168.85556	0.5
169.10129	0.7
171.08066	1.1
171.11539	0.5
175.11189	13.2
183.08084	0.6
185.13268	0.8
187.11021	0.6
189.11270	0.9
189.12798	0.9
193.05031	1.0
193.12248	32.0
194.12531	0.7
195.11703	1.1
195.13718	0.9
197.13187	0.6
205.12210	1.0
207.13840	0.7
211.11296	0.7
211.13278	18.1
212.13860	0.5
213.12770	0.7
217.12326	0.6
219.92282	0.5
228.23230	2.1
229.14340	0.9
233.15363	0.8
235.13266	0.6
249.14871	2.1
255.13776	1.9
267.15918	100.0
268.16269	2.7
269.17569	2.6
273.14877	3.6
273.64337	0.6
283.15280	3.7
285.16971	19.8
286.17300	0.8
287.16592	0.8
301.14093	0.9
306.31232	0.6
309.16867	1.4
339.23203	1.2
341.06308	0.5
341.21109	1.1
349.21463	3.6
363.11453	0.9
367.18454	0.4
367.22635	8.2
385.23792	8.8
403.24835	2.5
405.24304	0.6
415.24582	0.8
433.25812	10.3
441.26392	4.4
459.27414	51.7
460.27960	3.4
477.28491	49.6
477.34006	0.7
477.35703	1.0
478.28610	2.7
489.33972	0.5
501.28311	0.9
519.29462	1.5
585.30273	1.0
674.35162	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	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77045	1.8
55.01868	3.2
55.05511	9.3
56.14928	1.4
57.03435	12.9
59.04705	2.4
59.05000	36.1
60.50399	1.7
64.94647	1.8
65.03943	2.0
67.05500	20.4
68.29475	1.7
69.03391	2.8
69.07065	4.0
70.94846	1.7
70.95193	1.7
71.04979	3.8
79.05498	18.1
81.03419	64.2
81.07058	19.9
83.04966	7.7
83.08618	18.2
85.02908	12.4
91.05478	19.2
93.07036	13.3
95.04966	24.9
95.08597	8.8
95.45030	1.8
97.02921	4.0
97.06532	4.8
97.10146	5.3
105.07043	13.7
107.04967	10.4
107.08576	6.7
109.06511	4.6
109.10138	2.9
111.08076	7.2
117.07003	3.2
117.09130	13.7
119.08573	12.2
119.16338	1.6
121.06470	4.1
121.10111	10.1
121.52827	1.9
123.08060	3.0
123.11710	2.0
125.09656	3.8
129.06970	7.9
131.08556	10.1
133.06502	2.8
133.10139	8.8
134.00024	1.5
136.11183	2.1
137.09584	2.4
143.08531	2.0
145.10129	3.9
147.07986	3.4
147.11670	11.6
149.02306	6.8
149.09615	7.5
151.11198	1.8
157.10121	14.3
163.11234	3.5
165.12782	3.5
175.11211	15.9
175.13257	6.7
189.11235	2.9
193.05002	7.5
193.12248	35.1
211.13310	29.6
211.15146	3.4
222.24516	1.7
233.17476	2.6
267.15915	45.6
268.16479	2.0
277.72971	1.8
285.16983	29.1
288.15997	3.5
292.84622	1.7
349.21188	2.9
367.22672	5.8
385.09140	9.3
385.23618	13.9
403.24799	3.7
459.27438	54.3
460.27597	2.0
475.26324	2.2
477.28473	100.0
478.28812	5.3
674.34418	12.3
675.33691	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	674.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01867	3.7
55.05257	1.0
55.05515	13.5
57.03439	14.3
58.56106	0.8
61.02919	4.2
63.58984	0.8
65.03951	2.0
67.05157	1.4
67.05503	19.1
69.03416	4.4
69.07069	5.1
70.06609	0.9
71.04994	2.2
73.02934	1.3
79.05494	20.6
81.03417	89.8
81.06627	1.5
81.07061	20.6
82.03747	1.2
83.04983	12.5
83.08617	23.5
85.02905	17.9
85.06573	1.0
85.38168	1.0
87.95776	0.9
91.03974	1.3
91.05482	30.0
93.07045	15.8
95.04969	30.2
95.08609	8.3
97.02891	4.4
97.06533	3.4
97.10176	5.1
98.22609	1.6
105.07030	18.4
105.39673	0.9
107.04971	8.3
107.08599	8.0
109.06536	5.3
109.10160	3.9
111.04430	1.8
111.08086	10.4
113.06032	2.3
115.05450	0.9
117.07023	2.8
119.08582	17.8
121.06507	4.5
121.10144	9.6
123.08067	3.5
125.09631	3.5
128.06181	0.9
129.07016	12.5
131.08548	12.9
131.33295	0.8
133.06487	4.1
133.10129	9.2
135.11722	1.6
137.09613	1.6
142.07780	2.5
143.08545	0.9
143.84142	0.9
145.06470	4.0
145.10141	2.0
147.08017	4.3
147.11674	11.9
149.02351	1.4
149.09633	7.4
153.09134	1.2
155.08578	1.6
157.10130	15.4
165.12729	2.7
171.08075	1.5
175.11186	12.9
193.12244	37.4
194.12628	1.0
211.13297	26.2
227.14438	1.1
228.23143	1.4
229.14357	1.8
249.14880	2.9
255.13875	1.9
259.47061	0.9
267.15912	100.0
268.16168	2.8
273.14859	3.6
285.16974	25.9
301.14276	1.2
309.17038	1.3
341.21051	1.6
349.21579	2.8
357.24106	1.3
367.22672	11.7
368.35724	1.0
385.23666	11.9
403.24789	3.2
405.24274	2.0
415.24213	0.9
433.25919	11.1
441.26071	5.3
443.24377	1.0
459.27420	57.7
460.27744	2.7
477.28458	39.5
478.28598	1.9
519.29504	1.7
585.29932	1.3
674.34705	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	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02725	0.6
55.01877	3.2
55.05511	10.2
57.03436	13.5
57.07081	0.6
61.02921	3.8
65.03943	1.1
67.05502	17.8
69.03422	3.7
69.07066	4.7
69.07377	0.7
70.06578	1.3
71.04987	3.2
73.02924	1.7
73.78860	0.5
79.05492	18.2
81.03414	87.3
81.07050	17.9
82.03744	1.0
82.72160	0.6
83.04975	10.0
83.08615	21.0
85.02907	14.3
85.06528	1.3
87.04467	0.6
91.03945	1.8
91.04985	0.5
91.05476	22.9
93.07041	11.1
95.04965	29.6
95.08594	6.5
97.02879	3.9
97.06532	3.0
97.10177	4.0
98.23458	1.2
99.04469	0.8
99.08051	1.0
102.09193	0.7
103.05486	0.9
105.04543	1.1
105.07025	17.5
107.04958	7.8
107.08593	7.0
109.06516	5.1
109.10142	2.6
111.04448	2.6
111.08081	7.6
113.06006	1.9
115.05457	1.6
117.07010	2.8
119.04958	1.3
119.08574	14.7
121.06514	4.1
121.10141	8.2
123.04408	0.8
123.08065	2.6
123.11724	1.2
125.06005	0.7
125.09624	2.6
128.06262	0.8
129.06999	12.1
131.04938	1.6
131.08565	11.6
133.06508	3.4
133.10130	8.3
135.08072	0.7
137.09633	2.1
141.06985	0.7
142.07782	2.4
143.08562	1.6
145.06505	2.5
145.10106	2.6
147.08064	4.5
147.11688	11.4
149.02368	0.8
149.09592	5.3
155.08580	1.0
157.06474	1.1
157.10115	13.7
159.11824	0.6
163.11189	2.2
165.12737	3.2
171.11694	0.9
175.11174	12.1
177.12660	0.6
185.13187	0.7
189.11290	1.3
189.12770	0.8
193.05081	0.9
193.12239	32.7
194.12657	0.6
195.08180	0.7
195.11765	0.9
197.13390	0.7
211.13286	16.3
212.13699	0.8
223.13249	0.7
228.23271	1.4
229.14360	1.1
245.15292	0.6
249.14838	1.8
255.13881	1.4
267.15897	100.0
268.16254	3.2
269.17542	1.1
273.14853	4.4
283.15527	2.4
285.16959	20.8
301.14474	1.1
309.16904	1.3
319.15295	0.9
323.18839	0.7
339.23288	0.7
349.21585	2.3
363.11548	0.7
367.22620	9.3
385.23672	8.6
403.24719	2.7
433.25928	10.2
441.26208	3.9
447.13678	0.7
459.27414	54.9
460.27795	1.9
477.28482	43.1
478.28864	2.2
501.28650	0.7
519.29492	1.4
535.73505	0.6
674.35071	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44141	0.7
55.01870	5.0
55.05512	14.9
57.03439	14.4
57.07085	1.0
61.02928	4.1
65.03960	1.2
67.05161	1.7
67.05507	26.7
69.03436	5.6
69.07070	8.0
69.26117	1.7
69.26517	3.5
71.01339	0.9
71.04988	3.1
79.05498	24.0
81.03421	86.5
81.07056	27.4
83.04984	9.7
83.08625	20.3
85.02912	14.0
85.06532	1.5
86.09715	1.9
91.03962	1.9
91.05485	28.6
93.07050	16.6
95.04973	29.2
95.08601	11.3
97.02893	6.2
97.06525	5.4
97.10182	8.1
99.04479	1.5
99.08084	1.6
105.04520	1.3
105.06342	1.6
105.07026	20.7
107.04974	7.7
107.08575	10.0
109.02864	1.7
109.06506	4.6
109.10162	4.5
111.04445	3.2
111.08089	8.6
113.06087	1.2
115.05436	3.3
117.07030	5.8
117.24990	0.9
119.04892	1.0
119.08579	16.3
120.08080	1.7
121.06522	5.6
121.10132	8.2
123.04420	2.5
123.08060	4.2
123.11686	2.8
125.09618	5.2
127.03890	1.4
128.06204	1.1
129.07022	12.4
131.04897	1.6
131.08583	12.1
133.06494	4.3
133.10139	11.1
135.08046	2.6
135.11655	3.5
137.05949	1.7
137.09605	3.1
141.06937	1.1
142.07785	2.5
143.08583	2.5
145.06497	5.1
145.10123	6.1
147.08102	5.2
147.11702	11.7
147.12849	1.2
148.12033	1.1
149.09615	8.0
151.07509	1.5
153.09106	1.8
155.08556	1.4
157.10133	15.4
159.08008	2.3
159.11752	2.3
161.05991	1.5
161.09651	1.4
161.20634	1.1
162.12799	2.4
163.11186	4.2
165.09088	4.7
165.12737	2.7
167.07002	1.8
169.10117	1.4
171.08006	1.3
171.11633	2.0
173.09616	2.4
173.13264	1.4
175.11189	12.3
177.09065	1.0
184.07333	2.3
187.11055	1.1
189.11203	2.1
191.10736	1.6
193.12245	33.0
195.11658	1.7
197.09735	0.8
197.13332	0.8
205.08513	1.1
205.12196	1.7
211.11237	1.1
211.13271	17.9
211.15115	1.6
213.12703	1.1
214.17923	1.2
215.10678	2.5
215.14227	1.1
217.12257	1.0
227.12628	1.2
229.14343	1.8
231.13834	1.2
233.15385	1.2
235.13167	1.4
237.12671	1.0
243.68517	0.8
249.14822	3.6
255.13760	2.3
259.13440	1.2
267.15912	100.0
268.16296	3.2
269.17508	2.3
273.14783	4.8
283.15439	3.1
285.16959	23.8
286.17407	1.0
288.15930	0.9
301.14679	1.2
309.17026	1.7
339.23151	1.6
341.21042	1.7
349.21558	3.3
366.38470	0.9
367.22617	8.8
385.23746	12.5
403.24539	4.2
415.24857	0.9
433.25833	15.7
441.26025	5.8
441.32755	1.0
446.82315	1.0
459.27380	65.1
460.27805	5.0
477.28473	58.0
478.28925	4.2
495.29391	3.8
501.28442	2.1
519.29224	2.6
585.29602	2.3
603.31226	1.2
621.31903	1.1
630.24670	1.6
657.27118	6.8
674.24152	1.8
674.34027	11.2
675.34784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71369	1.2
55.01883	3.1
55.05515	12.8
57.03442	9.9
57.53283	1.4
65.03940	1.7
65.92099	1.3
67.05159	1.9
67.05509	32.2
69.03426	3.1
69.07080	7.5
69.13538	5.9
70.14893	1.3
71.04992	3.1
71.91444	1.3
79.05499	35.9
79.14233	1.1
81.03424	46.0
81.07062	26.7
83.04984	21.4
83.08624	16.4
84.70245	1.3
85.02915	9.5
85.06537	1.5
88.60574	1.1
91.05484	48.2
93.07051	27.4
95.04974	21.1
95.08611	10.8
97.02895	3.3
97.06533	3.7
97.10149	3.4
99.08102	2.9
99.50695	1.4
105.07033	30.6
107.04976	15.2
107.08578	7.1
107.83779	1.3
109.06512	4.8
109.10123	2.5
111.04452	2.4
111.08077	7.5
113.06026	2.4
114.73923	1.2
117.07030	1.8
119.08589	19.8
121.06519	1.9
121.10152	7.5
123.08082	2.5
125.74486	1.4
129.07011	12.8
131.08585	15.1
133.06482	2.5
133.10141	24.1
135.11682	1.6
142.07771	3.6
145.10115	4.8
147.08067	2.8
147.11688	17.2
149.09639	5.4
157.10138	17.5
163.11165	2.5
165.12782	2.5
175.11191	16.9
188.26376	1.3
193.12254	33.4
197.12898	1.3
211.13304	30.6
249.14908	1.9
255.77209	1.4
267.15918	100.0
268.16302	2.2
285.16974	18.7
446.56351	1.3
459.27423	78.1
460.27655	4.6
477.28506	57.1
478.28671	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	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05512	1.8
55.33216	0.2
57.03436	0.5
57.07070	0.9
62.06086	0.8
67.05502	2.4
69.03418	1.1
69.07078	1.6
69.27766	1.5
70.06577	0.3
71.04994	0.5
71.08636	4.4
71.35365	0.3
72.08150	1.1
79.05499	2.1
81.03419	3.1
81.07066	3.5
82.06544	0.3
83.04977	0.6
83.08627	2.4
84.08142	1.2
84.52592	0.2
85.02911	1.5
85.06528	0.4
86.05621	0.4
86.06077	3.6
87.00832	0.5
87.63386	0.2
91.05493	1.3
93.07057	2.5
95.04961	1.0
95.08620	2.3
96.08138	2.0
97.02899	0.7
97.06519	0.9
97.10145	0.5
98.06068	0.6
98.09686	2.6
99.04446	0.5
99.08094	2.5
105.07034	1.4
107.04967	0.3
107.08611	1.9
108.08125	1.4
109.02864	1.0
109.06536	0.5
109.10144	0.8
110.09641	0.3
111.04453	0.3
111.08089	0.7
114.09106	0.3
116.10739	13.9
117.07060	0.4
119.08595	0.9
121.06552	0.3
121.10145	1.1
122.09696	1.2
124.07615	0.5
126.09183	0.6
127.03907	1.3
129.06990	0.4
131.08545	0.5
133.10185	0.4
134.09679	0.3
135.08018	0.3
135.11740	1.3
136.11244	0.7
138.09151	0.3
140.10709	0.7
143.10687	1.8
145.10118	0.5
147.11714	0.3
149.09531	0.3
149.13258	1.1
150.12697	0.3
154.15877	3.2
157.10086	0.5
159.11688	0.7
163.11177	1.4
165.09261	0.2
166.15889	2.6
167.14349	0.6
168.17500	0.6
170.15413	0.3
175.11221	0.3
178.15997	1.3
181.12256	0.3
191.86134	0.3
193.12286	1.2
196.16989	7.1
211.13380	0.6
214.18024	100.0
215.18396	3.3
223.13229	0.4
227.12778	1.0
230.24815	3.0
231.09479	0.3
231.15950	0.9
231.25163	1.7
238.17987	0.3
256.19037	0.9
257.17517	1.2
267.15991	2.1
269.17529	2.1
283.15320	1.4
292.22525	0.3
310.23712	1.1
321.17010	0.3
328.24829	2.3
349.21750	0.3
376.23227	0.3
408.31113	1.5
418.24579	0.5
426.32169	11.9
427.32654	0.7
439.80228	0.3
459.27548	1.3
462.23322	5.9
463.23816	0.4
477.28488	5.4
478.28604	0.4
497.18729	0.4
630.39270	0.3
674.37402	2.1
675.26678	2.1
675.36450	0.5
676.89246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05517	8.3
57.03443	1.7
57.07080	34.1
59.04986	1.9
61.03875	0.8
67.05509	9.5
69.03390	1.1
69.07063	4.1
71.05024	0.9
71.08632	24.3
73.02925	1.6
73.06561	8.0
77.04393	0.7
79.05488	5.6
79.35730	0.8
81.03413	0.9
81.07060	7.7
83.08611	4.1
85.09690	1.6
85.10183	20.0
87.04473	10.2
89.06034	100.0
91.05489	4.7
91.07573	1.0
93.07053	6.3
95.04959	1.5
95.08612	5.6
97.10168	7.3
97.74315	0.8
98.23519	1.7
99.11741	3.7
105.07054	2.7
107.07059	1.4
107.08604	4.1
107.76746	0.7
109.10156	3.1
113.13307	1.0
117.07024	1.0
117.09138	8.3
119.08609	2.2
121.10141	2.8
123.11689	1.4
125.09617	2.8
130.08601	2.0
131.07025	3.5
131.08548	1.0
133.08606	52.0
134.42462	0.8
135.10176	1.8
135.11691	2.4
136.11244	1.1
145.10107	1.3
147.11678	1.0
149.13261	1.0
155.17963	5.3
159.11703	1.2
161.11732	2.3
175.09688	2.1
177.09737	1.8
177.11234	25.0
184.07361	0.9
199.20537	4.3
203.56090	1.0
215.12860	1.5
217.14404	8.1
221.13829	5.1
243.21031	1.4
243.23219	10.5
261.22198	3.5
265.16437	2.1
267.15689	1.2
283.17407	1.8
287.25806	7.3
288.15955	1.7
335.25894	8.4
336.26105	1.0
353.26852	1.4
388.21188	1.7
403.32159	1.0
459.27615	1.0
477.35815	9.4
503.30475	1.9
657.47845	8.3
673.99585	1.0
674.41620	2.8
674.50482	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	675.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.6
55.01849	0.6
55.05484	0.5
65.03935	0.6
67.05494	2.4
69.03409	0.6
69.07041	1.1
70.51389	0.5
74.39589	0.4
77.80085	0.4
79.05486	1.0
80.04999	0.5
81.03394	1.7
81.07055	2.0
83.04951	0.7
85.02908	0.5
89.03910	0.7
91.05465	1.3
93.07032	1.7
94.06554	3.0
95.04953	0.9
95.08627	1.1
96.08098	0.6
97.06530	0.6
99.04454	0.4
105.07010	0.9
106.06516	1.4
107.08561	1.3
108.04463	0.8
108.08139	1.0
109.06547	0.5
109.10146	1.6
116.04975	2.1
118.06571	0.5
119.08543	1.5
120.04446	0.8
120.08115	0.5
121.10136	0.9
122.06036	5.2
123.11699	0.9
124.07545	0.4
127.03884	0.6
129.07066	0.5
129.92610	0.4
131.08548	0.4
132.08105	0.5
133.05157	0.5
133.10110	0.8
134.06009	6.7
135.06841	0.9
136.07581	5.5
136.11188	0.5
137.05954	0.9
137.09631	2.8
143.08508	0.9
144.04443	4.1
145.05191	1.0
145.10100	1.1
146.06003	3.1
147.11760	0.5
149.09572	0.5
149.13193	0.7
150.05486	1.5
155.07317	0.9
155.08504	0.7
158.06013	0.5
160.03914	1.8
162.05510	2.8
164.07060	6.1
165.09120	25.1
170.09653	3.9
172.03943	15.8
172.07547	1.1
172.09906	0.5
172.11211	1.1
173.04643	0.9
173.09589	0.6
174.05519	0.8
174.09108	0.5
175.08664	1.3
175.11093	0.5
175.14780	0.6
179.10634	0.6
183.06902	0.6
184.07541	0.5
184.11252	0.9
186.09210	0.7
187.08640	0.7
187.11084	0.4
187.12326	4.9
188.07019	0.4
190.05011	4.0
194.09761	0.6
197.08411	0.7
197.10773	0.9
198.09142	23.1
200.09390	1.9
200.10895	1.1
201.13875	0.6
202.08580	0.4
204.06563	18.9
205.12315	2.1
209.10585	0.5
212.10843	4.5
213.06607	0.6
213.10298	1.3
214.08936	0.5
214.10867	0.4
215.08569	0.8
215.11806	18.5
216.12201	0.6
223.08615	0.6
225.10265	1.4
226.08661	6.4
227.08192	1.1
227.11728	2.2
228.08768	0.9
229.09645	0.7
229.13445	0.9
230.10513	0.7
231.11143	1.0
235.08638	0.9
237.10242	1.3
239.11826	1.0
240.10463	2.7
241.09767	1.9
241.13402	1.0
242.10493	4.0
243.11293	100.0
244.11574	2.7
249.10182	0.9
250.08656	0.5
250.10994	0.6
251.08142	0.7
251.12314	0.4
253.10004	0.6
255.11308	7.0
256.12048	1.3
257.12866	5.7
265.09558	1.1
267.11331	1.2
269.09232	0.6
269.12689	0.5
277.09464	0.6
279.11124	0.5
283.10767	1.0
284.11633	1.0
285.12344	88.6
286.12686	2.6
289.21558	0.5
295.10818	1.6
296.11353	0.5
297.12329	0.9
301.11810	4.2
302.12732	2.0
303.13394	89.9
304.13733	2.8
307.26166	0.9
312.12180	0.6
313.11914	0.5
317.08417	0.9
323.10226	5.2
328.14902	0.6
341.11105	1.2
342.12491	0.5
351.09711	0.9
355.12946	2.2
356.13937	0.9
358.15567	0.6
372.14362	3.7
383.12802	0.6
388.21075	0.7
400.17719	0.5
406.17484	0.7
410.65778	0.5
418.17471	1.3
430.17590	0.8
441.33795	1.9
446.17337	0.6
456.15903	0.7
458.16916	0.5
459.27493	0.5
459.34421	0.6
462.16757	1.6
470.17075	1.9
474.16611	2.3
476.18289	1.1
534.18805	1.6
553.24664	0.5
579.22253	0.9
581.23804	1.8
597.23309	0.9
607.21747	1.8
611.25012	0.8
621.23749	1.5
625.22687	3.2
639.24457	13.6
640.25220	0.9
657.25372	1.4
674.33679	0.8
675.35492	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	676.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
53.68513	0.5
54.22217	0.4
55.05504	0.7
67.05499	0.7
68.05031	1.6
69.03422	1.2
69.07059	0.9
69.35288	2.4
70.02937	1.3
70.06584	2.0
77.03909	0.5
79.05507	0.6
81.03442	0.6
81.07063	1.3
82.06601	0.6
84.08167	0.5
85.02891	1.0
86.09712	6.2
91.05460	2.2
93.07058	3.2
94.06569	1.7
95.04984	1.3
95.08608	0.6
96.04502	1.2
97.03996	0.8
98.06061	2.9
103.05473	10.9
105.07005	0.8
107.04958	0.8
107.08569	0.5
109.07613	1.2
109.10130	0.5
110.06053	1.9
111.09237	0.6
112.07639	0.7
113.03487	1.2
113.07153	1.1
114.05518	1.1
117.05764	0.5
120.08109	100.0
121.06557	0.5
121.07638	0.6
121.08460	1.5
122.06039	1.2
124.03880	0.5
124.07618	0.6
125.03487	11.4
127.03915	1.0
130.06479	0.9
131.04913	0.6
132.04449	4.7
132.08138	0.4
133.05235	2.0
133.10205	0.5
134.06030	2.5
136.07561	0.5
137.07095	3.5
138.05478	1.3
138.09122	1.1
139.04973	1.0
139.08652	1.9
142.05013	6.6
145.10127	0.7
146.05977	0.8
147.04414	0.9
149.07152	0.6
150.05530	1.1
151.08615	0.5
153.06606	0.6
153.14255	0.4
155.08202	0.7
158.06027	5.4
160.03944	1.8
160.07668	0.5
161.04756	0.6
162.05461	0.8
162.09158	0.6
164.07097	1.1
165.06552	2.2
165.09084	0.7
165.87581	0.6
166.05003	1.1
166.12314	1.2
174.05525	0.6
177.06606	0.5
178.05031	2.2
179.05775	2.0
181.09724	4.5
181.13371	0.8
183.07661	1.1
184.03903	0.6
186.05556	1.9
190.05067	0.6
191.04469	0.9
193.06073	1.4
201.06543	0.7
205.06064	1.1
205.13385	1.9
208.07166	0.6
209.05659	0.7
210.11299	0.6
212.03398	0.8
221.12892	1.4
229.06088	2.1
230.04466	0.7
233.12846	1.5
237.05067	9.6
237.07364	0.8
240.02843	0.6
247.07092	0.5
253.09818	0.7
254.07733	1.4
255.06071	2.9
255.11348	1.6
256.09641	0.6
257.05417	0.5
257.12827	0.5
259.10718	0.9
261.12259	3.6
266.08099	0.5
276.13538	2.3
278.15054	0.8
281.09140	2.2
282.11392	0.5
283.10812	1.3
294.14664	0.7
299.10199	1.1
301.11865	2.9
304.12930	0.5
305.11435	1.3
322.13977	30.7
323.14386	0.6
327.09705	1.5
350.13486	5.1
370.10541	1.4
388.21133	0.5
405.11197	0.4
416.10800	3.3
457.20654	1.4
483.18829	3.5
501.19821	43.0
502.20123	1.8
529.19348	3.0
530.19647	0.5
603.24060	1.0
676.36200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.05506	0.2
62.73526	0.1
65.03962	0.2
67.05511	0.2
68.01385	0.2
68.05038	0.9
69.03416	0.4
69.04565	0.2
69.07059	0.5
69.44276	0.6
70.02951	0.6
70.06574	0.4
71.10797	0.1
77.03925	0.4
78.43661	0.1
79.05484	0.4
80.05031	0.2
81.03433	0.1
82.06575	0.6
83.04964	0.2
84.08141	0.3
85.02927	0.1
86.06044	0.1
86.09712	3.4
91.05477	1.8
92.05008	0.3
93.07051	2.5
94.06554	0.8
95.04977	1.1
95.08597	0.2
95.48414	0.1
96.04501	0.8
96.08103	0.3
97.04018	0.5
98.02466	0.2
98.06063	2.5
98.22742	0.3
101.69305	0.1
102.04684	0.1
103.05469	8.2
105.04518	0.5
105.07030	0.5
107.04971	0.2
109.07642	0.4
110.06020	0.9
111.05573	0.2
111.09217	0.4
112.07574	0.3
113.03499	0.7
113.07146	0.7
114.05549	0.7
115.05419	0.2
116.05008	0.4
118.06577	0.3
119.07316	0.2
120.08108	100.0
121.07671	0.2
121.08441	1.5
122.06046	0.4
124.07580	0.2
125.03479	6.1
130.06528	0.4
131.04913	0.5
132.04451	3.1
132.08066	0.3
133.05247	1.2
134.06017	1.5
136.07605	0.6
136.11191	0.2
137.07089	1.7
138.05495	0.7
138.09161	0.3
138.12752	0.3
139.05057	0.7
139.08646	1.0
142.05002	3.5
145.10112	0.2
146.06001	0.7
149.07085	0.4
150.05516	0.6
153.06599	0.2
158.06021	2.8
158.07260	0.2
160.03914	0.3
160.07570	0.4
162.05533	0.5
163.05017	0.2
163.08755	0.3
164.07085	0.5
165.06589	1.5
166.05017	0.5
166.12346	0.7
167.08179	0.3
170.06071	0.2
170.09677	0.4
174.05681	0.2
176.07126	0.5
177.06567	0.3
178.04984	1.7
179.05811	1.5
181.06146	0.4
181.09727	1.9
181.13358	0.4
183.07643	0.7
184.03973	0.5
184.07571	0.1
185.07086	0.1
186.05554	0.5
188.14398	0.2
189.04286	0.2
190.04991	1.5
191.04573	0.3
191.08185	0.3
193.06122	0.6
194.04489	0.3
198.08974	0.1
201.06674	0.6
202.04997	0.2
204.06560	0.6
205.06126	0.4
205.13408	0.5
208.07288	0.3
209.05626	0.5
210.09171	0.2
210.11203	0.3
211.07126	0.5
212.03421	0.2
214.04964	0.2
219.07704	0.2
221.12909	0.4
229.06140	0.6
230.04524	0.3
233.12898	1.1
234.09143	0.2
236.10732	0.8
237.05072	5.5
238.08823	0.2
246.11302	0.3
247.07147	0.3
248.14134	0.3
252.10240	0.3
253.09816	0.5
254.07628	0.6
255.06125	1.4
255.11282	0.8
257.13010	0.2
258.04028	0.3
260.13992	0.2
261.12302	1.5
275.06619	0.2
276.13412	1.3
278.15057	0.3
280.09662	0.5
281.09366	0.7
282.11459	0.6
283.10803	0.3
294.14716	0.2
299.10370	0.5
301.11826	1.6
304.13025	0.3
305.11334	0.4
322.13983	15.9
323.14355	0.4
324.15549	0.2
327.09732	0.9
350.13477	3.7
370.10416	0.6
402.14352	0.1
412.18692	0.2
416.11075	0.9
440.18359	0.2
455.19431	0.4
456.17892	0.4
457.20886	1.9
483.18588	0.2
485.20325	0.3
501.19821	18.7
502.20316	0.8
511.18011	0.5
529.19330	3.4
530.19690	0.2
545.79095	0.1
556.20142	0.5
559.25519	0.2
603.24420	3.3
631.23914	0.7
648.26532	1.5
658.24811	0.2
676.25543	0.2
676.36108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01868	1.2
55.05504	3.8
57.03432	4.6
61.02927	6.9
67.05505	6.0
69.03429	2.1
69.07061	1.3
69.15261	2.5
71.04986	1.4
73.02921	2.1
79.05507	5.9
81.03416	74.3
81.07052	7.0
82.03746	0.5
83.04983	3.4
83.08618	18.3
85.02904	8.4
85.06534	0.9
91.03960	5.9
91.05477	8.5
93.07045	5.3
95.04964	24.6
95.08619	1.5
97.02888	5.1
97.06524	1.5
97.10165	1.1
97.30280	0.6
98.22749	1.0
99.04460	1.2
99.08152	0.6
105.07024	7.3
106.01019	0.5
107.04951	5.4
107.08590	2.6
109.02885	1.2
109.06513	2.2
109.10183	0.6
111.04440	1.8
111.08088	8.8
113.05945	0.5
115.03967	0.8
117.07080	1.2
119.08580	7.5
121.06493	1.1
121.10169	4.2
123.04419	2.9
123.08125	1.3
123.11687	0.6
125.09653	1.6
127.03928	2.4
127.07599	1.3
129.07014	6.5
131.08582	6.2
133.06497	2.8
133.10144	2.9
135.11615	0.6
137.06017	1.1
137.09636	1.0
142.07776	1.2
143.08609	0.9
145.04965	2.3
145.06308	0.5
145.10129	1.8
147.04405	1.9
147.08017	3.3
147.11674	5.7
149.09607	4.1
157.10121	10.4
163.06042	6.1
163.11176	1.4
165.12729	1.3
167.07053	1.5
173.09627	0.7
175.11185	11.2
176.06529	0.6
189.12796	1.1
193.12241	57.4
194.12534	1.2
196.54482	0.6
207.13828	1.0
211.13301	5.2
234.47209	0.5
235.13229	3.5
259.13297	1.8
267.15903	35.0
268.16251	1.8
273.14862	0.8
277.14401	0.9
283.13293	0.8
285.16959	100.0
286.17267	4.1
301.14404	1.7
309.16937	17.7
310.17307	0.6
327.18274	1.4
351.18042	2.3
360.31708	0.6
363.18036	5.9
373.13943	0.6
375.18115	2.7
393.19150	3.4
411.20148	3.6
418.22241	0.7
429.21170	10.5
429.26587	1.0
435.40335	0.6
591.25824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41707	1.1
52.74633	1.3
53.03953	2.3
53.60388	1.5
55.01876	3.0
55.05511	18.0
57.03439	16.2
57.07068	3.0
59.74217	1.1
61.02926	3.4
65.03928	1.8
66.91885	1.1
67.05508	44.0
69.03425	3.4
69.07075	15.2
71.04993	5.7
71.20252	2.1
74.79176	1.1
78.15742	1.1
79.05500	36.9
81.03421	53.4
81.07061	56.1
83.04987	14.0
83.08630	22.3
85.02911	17.2
85.06564	2.9
91.05486	28.2
93.07044	38.6
95.04976	22.9
95.08612	13.6
97.02919	4.0
97.06528	7.5
97.10182	3.3
99.08109	2.3
105.04560	2.0
105.07034	17.5
107.04981	6.5
107.08597	21.8
109.06522	5.1
109.10178	4.9
111.04417	3.2
111.08079	13.0
113.06017	2.6
117.07022	5.3
119.08592	16.1
121.06494	2.7
121.10146	14.5
123.08065	3.9
123.11716	3.4
125.09586	1.6
129.07005	8.3
131.08577	13.4
133.06473	1.6
133.10126	12.7
135.11705	4.2
137.09637	2.7
141.26276	1.7
142.07825	1.9
145.10130	1.7
147.07948	1.7
147.11703	13.4
149.09607	5.9
149.13272	15.7
157.10123	11.8
159.11728	6.8
165.12807	3.7
175.11220	9.0
175.82919	1.3
177.12770	2.9
193.12244	28.4
195.13786	8.1
209.11848	1.4
211.13304	41.8
230.24905	1.7
267.15942	27.5
269.17474	63.3
270.17886	1.7
285.16974	38.4
285.19989	2.7
461.28973	70.3
462.29315	2.3
472.16418	1.6
479.30087	100.0
480.30353	4.7
496.16983	2.8
498.18253	4.0
512.20941	1.7
556.19318	2.5
560.37292	1.5
676.26782	20.7
677.27490	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	676.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69280	2.1
53.03942	5.5
55.01875	8.4
55.05515	34.6
57.03434	24.6
59.04995	6.4
67.05508	78.7
67.05869	4.3
69.03438	4.9
69.07063	18.1
71.04994	7.7
73.02900	2.7
75.17480	2.1
79.05495	28.1
81.03419	100.0
81.07054	36.0
81.60806	1.9
82.95033	2.2
83.04979	12.0
83.08617	27.1
85.02910	6.8
85.06571	2.9
87.04478	3.1
91.05489	35.2
93.07047	18.1
94.73058	2.1
95.04965	32.9
95.05523	2.4
95.08601	15.1
96.00751	2.3
96.19650	2.0
97.02901	5.8
97.06542	5.2
97.10172	22.5
103.18153	2.4
105.07035	20.4
107.04938	12.6
107.08601	18.4
109.06503	8.0
109.10164	56.0
110.10452	3.5
111.04449	5.8
111.08095	7.9
117.07032	7.0
119.08617	20.1
121.06502	8.3
121.10153	11.6
123.08063	5.9
123.11663	2.7
125.00158	2.0
125.01240	2.2
125.09625	13.4
129.06992	12.2
130.34819	2.1
131.08574	15.8
133.06465	5.1
133.10120	8.2
135.08067	4.4
135.11688	4.0
136.11137	2.6
137.09642	6.2
141.77899	2.1
143.08614	3.3
145.10124	8.2
147.04440	5.2
147.08015	6.5
147.11688	11.3
149.09630	8.0
153.12773	4.5
155.10672	5.2
157.10086	14.0
161.09648	2.4
161.13338	2.4
163.11169	11.6
163.55719	2.5
165.12764	2.7
173.11728	13.0
175.11176	10.4
181.12286	3.5
184.07399	5.6
185.11864	2.3
189.11226	4.4
191.10640	3.9
193.12241	32.0
199.13187	3.2
205.12222	2.2
209.11757	5.1
211.13329	8.3
217.14322	2.9
219.13731	4.3
221.15118	2.5
227.12717	11.1
229.14343	43.5
249.14891	6.8
256.26202	3.5
267.15909	97.4
268.16211	2.9
273.18460	2.9
283.15512	5.8
290.17526	2.4
301.16412	8.7
330.20175	2.4
338.07559	2.3
347.22137	2.0
365.20978	2.7
367.22800	3.4
383.22260	5.9
399.23767	16.8
401.23187	5.5
421.25845	23.1
458.26663	11.8
475.26431	4.0
476.27310	12.2
493.27811	7.6
511.28592	3.0
518.31891	3.1
591.34918	6.4
676.36725	4.0
677.37073	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	677.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92852	0.5
53.03942	0.5
53.71958	0.5
55.01862	0.6
55.05516	1.3
57.03445	1.5
57.91890	0.5
61.02922	3.9
67.05520	3.1
67.06971	0.6
69.03444	1.8
69.07084	1.2
69.47846	2.1
71.05002	0.8
73.02934	2.1
79.05499	3.5
81.03419	3.0
81.07045	3.4
83.04993	1.4
83.08640	1.0
85.02897	3.1
91.03963	1.2
91.05484	4.0
93.07050	3.7
95.04987	1.8
95.08635	0.7
97.02893	3.0
97.06555	0.9
99.04463	0.8
101.02406	1.3
105.07045	3.2
107.04982	1.5
107.08607	1.7
109.02921	1.1
109.06580	1.1
113.18171	0.7
117.07102	0.6
119.08611	1.7
121.10182	1.4
127.01234	3.6
127.03976	0.9
129.07071	1.0
131.08582	1.6
133.10150	2.7
135.11673	0.7
145.10167	1.1
147.11687	0.9
157.10207	0.7
161.94057	0.7
163.11215	2.1
169.06017	1.8
175.11230	1.1
203.60681	0.6
221.38667	0.7
233.11507	0.8
242.24730	0.8
243.08501	1.5
267.16019	0.8
269.17502	0.6
270.18179	0.7
274.27515	2.8
290.27106	2.6
362.85931	0.6
412.15063	2.6
451.19376	5.3
462.29587	1.1
467.18839	5.5
479.29910	1.0
480.30597	2.1
499.17990	1.3
582.42786	0.6
677.31445	100.0
678.31824	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	677.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56421	0.4
53.03938	0.5
55.01880	0.5
55.05511	1.0
57.03441	2.5
61.02933	5.3
64.23527	0.5
67.05509	2.2
69.03436	3.7
69.07069	0.5
69.98505	1.1
71.01327	0.6
71.04985	0.8
73.02930	4.0
79.05487	2.3
81.03413	10.1
81.07063	1.9
83.01342	0.6
83.05006	0.8
83.08627	2.0
85.02902	5.6
87.04453	0.6
91.03937	3.6
91.05488	1.9
93.07059	1.8
95.04963	4.1
95.08623	1.3
97.02887	5.0
97.06532	1.0
99.04458	0.7
101.02397	1.3
103.03957	0.5
105.03415	0.9
105.07046	2.1
107.05000	0.7
107.08614	1.2
109.02906	0.7
109.06527	0.7
109.10157	0.7
111.04509	0.5
111.08098	1.3
117.07043	0.7
119.08569	2.3
121.02885	0.7
121.10140	1.6
127.03905	1.4
129.07010	0.9
131.08554	1.0
133.10130	1.3
135.08063	0.5
135.11751	0.7
137.09636	0.6
145.10144	1.0
147.04466	0.5
147.11708	0.7
149.02365	0.8
149.09641	0.6
157.10155	1.4
163.11223	1.4
175.11240	1.2
185.04274	0.8
193.12289	2.0
243.08327	0.9
243.12650	0.5
249.10913	0.6
267.15967	1.6
283.15259	0.5
290.17545	1.7
314.65344	0.5
367.82007	0.5
431.12259	0.7
450.14972	0.5
451.19397	8.5
467.18839	3.3
473.44830	0.4
677.31348	100.0
678.31671	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	677.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05517	6.3
57.03447	3.2
57.07082	2.0
61.02929	7.3
67.05508	28.7
69.03445	4.2
69.07061	6.4
69.46354	3.0
71.05008	1.3
73.02932	3.4
79.05499	17.6
81.03436	2.8
81.07063	28.5
83.04980	1.2
83.08647	4.4
85.02911	10.0
85.06549	1.5
91.03973	7.3
91.05478	9.0
93.07048	20.2
95.04987	2.2
95.08611	22.2
97.02917	3.6
97.06567	1.8
101.02389	1.7
105.07025	6.6
107.05001	0.9
107.08597	13.7
109.02897	1.1
109.06553	1.1
109.10164	11.4
111.08125	1.1
111.11747	1.0
117.07050	4.6
119.08566	5.2
121.10159	10.4
123.11716	5.4
127.03954	3.3
129.07050	1.5
131.08583	7.0
133.10124	4.5
135.11699	8.7
137.13327	1.4
143.08556	0.9
145.05005	3.1
145.10121	5.5
147.11713	4.2
149.13278	8.5
153.12793	1.0
159.11722	5.4
161.13316	3.6
163.06099	2.7
163.14848	4.9
173.13272	4.6
179.14319	1.2
187.14873	3.2
201.16434	1.8
243.08540	2.3
243.21086	9.1
247.13319	1.1
256.26523	1.0
261.22137	25.7
262.22845	1.1
279.23306	1.5
290.17651	1.8
335.25729	10.7
353.26849	10.8
355.11606	1.1
453.21008	7.4
465.20847	7.2
497.31296	2.4
677.35071	100.0
678.35333	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	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23743	0.2
57.07060	0.2
66.23911	0.2
70.06602	0.6
70.34832	0.2
79.20237	0.2
88.07639	0.6
98.99465	0.2
102.09184	0.5
110.64931	0.2
127.86289	0.2
149.02359	0.9
185.04280	0.7
193.04918	1.4
203.05286	1.8
256.26361	2.5
259.07843	1.6
305.08365	0.3
347.09518	1.7
353.96756	0.2
365.10519	3.1
365.14474	0.3
421.13058	1.0
448.30707	0.2
515.31927	23.2
516.32379	0.7
549.44220	0.2
565.88220	0.3
677.37122	100.0
677.55530	2.6
678.37469	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20192	1.0
53.03947	3.2
55.01875	1.8
55.05513	11.0
57.03440	5.3
57.07083	5.1
61.02931	23.3
65.03954	1.8
67.05508	68.9
69.03422	2.6
69.07080	12.8
71.05000	3.7
71.08640	2.1
73.02925	9.6
77.03954	1.4
79.05499	44.2
81.03418	3.0
81.07061	73.9
83.04996	2.4
83.08615	8.4
83.98182	1.1
85.02912	24.8
85.06565	4.1
91.03964	28.9
91.04510	2.2
91.05490	26.6
93.06452	2.6
93.07049	52.9
95.04978	3.7
95.08611	58.7
97.02902	16.0
97.06546	3.4
97.10194	3.1
97.34130	1.1
99.04452	2.0
99.08109	4.0
105.04544	1.9
105.07029	19.0
107.04960	2.2
107.08598	39.9
109.06521	1.9
109.10159	33.7
113.06047	1.4
115.03925	1.3
117.07019	8.9
119.06040	1.4
119.08590	15.9
121.06477	1.2
121.10154	35.3
123.08053	1.6
123.11718	19.3
125.09691	2.8
127.03934	8.0
127.11251	1.4
129.07047	1.6
131.08580	21.7
133.10130	17.4
135.04430	1.4
135.11699	30.1
137.09612	1.2
137.13223	5.8
139.11270	1.4
145.04980	13.6
145.10136	20.1
147.11673	14.9
149.06013	1.5
149.13275	23.2
151.11136	1.6
151.14861	2.6
153.12785	1.4
157.10179	1.6
159.11705	17.1
161.13301	9.7
163.06021	18.5
163.14813	12.3
165.12788	2.7
173.13278	13.9
175.14865	4.4
177.05412	1.1
177.12781	1.9
177.16399	4.9
179.14357	2.1
187.14816	9.4
188.71689	1.1
191.14340	1.7
201.16467	2.0
205.15907	3.1
215.17906	2.1
215.55457	1.0
218.71925	1.2
233.22684	4.1
243.21097	37.8
244.21341	1.3
261.22147	100.0
262.22397	2.4
279.23166	3.4
290.17517	4.5
335.25845	17.1
353.26868	34.1
354.27103	1.3
401.52405	1.2
422.26154	1.8
448.27707	4.3
497.30746	1.7
571.11053	1.3
677.35864	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05512	10.0
57.03428	7.2
57.07065	4.0
59.90238	0.9
61.02928	19.2
65.03934	1.6
67.05503	71.5
69.03420	2.9
69.07065	12.0
71.04995	2.9
71.08632	2.0
73.02921	7.0
75.04470	2.2
77.03900	1.5
79.05490	39.2
81.07055	86.0
82.07371	1.8
83.04965	1.3
83.08622	7.6
84.60447	1.0
85.02900	19.7
85.06535	3.1
91.03958	18.6
91.05473	25.0
93.07043	52.8
94.83632	1.1
95.04966	4.0
95.08606	67.0
97.02905	9.2
97.06526	2.9
97.10162	3.8
99.04457	2.1
99.08107	2.8
105.07036	16.0
107.08591	34.2
109.02853	1.5
109.06522	2.3
109.10157	38.0
111.08098	3.5
115.03841	1.5
117.06998	8.8
119.08582	15.2
121.10137	38.6
123.08062	1.3
123.11707	18.4
125.09639	2.0
127.03884	6.1
131.08568	19.4
133.10118	13.3
135.11688	30.7
137.09627	2.7
137.13223	8.3
139.11174	2.3
145.04942	10.1
145.10139	13.9
147.11697	11.4
149.13243	23.2
150.25687	1.0
151.11098	2.5
151.14833	1.9
153.12698	1.3
159.11681	12.5
160.00198	1.2
161.13231	11.0
163.06013	11.7
163.11156	2.6
163.14798	12.5
165.12747	3.0
173.13235	15.3
175.14850	2.2
176.74051	1.1
177.12746	1.4
177.16325	6.1
179.14299	2.7
187.14766	10.3
191.14391	1.7
193.15877	1.2
201.16397	4.1
205.15932	2.0
215.17873	1.7
233.22702	3.3
243.21083	35.2
261.22131	100.0
262.22568	3.5
279.23178	3.3
335.25784	34.4
353.22513	2.2
353.26865	35.6
354.27271	1.8
479.30807	1.3
497.31137	7.4
537.46149	1.1
677.34198	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	678.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.4
53.03929	1.2
55.01852	1.3
55.05492	0.5
57.03418	0.8
67.01859	0.7
67.05497	1.3
68.25559	0.3
68.99778	0.8
69.03073	0.4
69.03428	5.4
71.04972	0.9
78.28342	0.3
79.01851	0.7
80.05021	3.0
80.56987	0.3
81.03424	2.9
83.00877	0.4
83.01340	6.1
83.04964	0.5
85.02902	2.3
87.00847	1.7
87.04465	3.8
91.05470	0.4
93.07067	0.4
95.01306	0.7
95.04947	0.3
95.08595	2.7
97.02874	1.4
99.04453	17.1
101.79387	0.3
105.01850	0.4
106.06560	0.4
109.02896	2.6
111.08108	0.5
115.03927	4.5
119.07322	0.5
120.08098	8.2
123.00752	0.6
124.52365	0.3
127.03922	3.3
130.06557	0.4
132.08089	1.2
133.08862	0.6
134.05988	0.5
134.09637	3.3
136.07594	0.3
137.05925	0.3
140.01083	0.4
144.08060	0.8
145.04964	0.8
146.05986	2.0
146.09656	0.7
147.06744	0.4
148.07578	0.9
151.03894	0.6
155.03381	100.0
156.03732	1.0
158.09602	0.3
159.02853	0.6
160.07581	3.8
160.11223	10.5
161.12000	0.4
162.12778	18.8
163.13177	0.5
167.07028	2.6
170.09572	0.3
172.11284	0.7
176.10651	0.4
183.06511	2.2
184.11205	0.4
186.09103	1.2
187.09888	0.4
188.10699	31.9
189.11015	0.6
195.06467	0.8
198.09096	0.6
202.15907	0.7
216.10216	6.1
217.10876	0.6
218.11723	0.6
228.10191	0.6
229.10939	0.6
230.11734	1.7
230.15327	0.8
234.11281	2.0
238.12376	0.7
240.13843	0.4
244.09650	3.5
256.13315	2.9
257.14120	0.4
258.14890	29.5
259.15125	1.0
266.11685	0.4
270.15195	0.4
276.15942	14.1
277.16129	0.4
286.10565	0.4
298.14313	1.0
316.15421	31.5
317.15808	1.1
342.13345	25.4
343.13583	1.1
366.17188	0.4
394.16617	0.4
412.17526	44.2
413.17715	1.5
430.18588	86.2
431.18951	4.0
457.32382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01870	4.0
55.05508	8.0
57.03441	6.6
61.02927	2.4
65.03925	1.2
67.05506	27.9
69.03436	6.2
69.07081	8.5
69.23064	2.2
69.23473	2.5
70.06603	0.8
71.04986	4.3
73.02913	1.5
73.06567	1.2
79.05494	15.8
81.02959	1.8
81.03422	26.2
81.07059	30.5
83.04982	9.2
83.07362	10.5
83.08616	11.0
85.02902	11.9
85.06561	3.7
87.04469	1.8
89.06027	4.9
91.03925	0.9
91.05480	27.6
93.06461	1.2
93.07050	15.8
95.04969	14.7
95.08622	7.3
96.08133	2.4
97.02903	4.0
97.06539	6.9
97.10163	2.0
99.04458	3.1
99.08093	1.5
101.06028	0.9
103.05470	1.5
105.07029	23.5
107.04960	3.5
107.08597	20.1
109.02908	1.0
109.06530	5.1
109.10165	35.6
110.10502	1.1
111.04457	2.3
111.08096	4.8
113.06023	2.6
114.06802	1.1
117.07011	2.2
119.08588	9.5
121.06532	3.4
121.10152	4.4
123.08070	2.7
123.11726	7.4
124.11214	2.1
125.09717	2.0
125.12019	2.5
126.12778	1.1
127.03977	1.0
127.07566	2.9
129.07019	3.8
131.04973	1.2
131.08556	5.2
133.06503	2.2
133.10138	43.0
134.10460	1.7
135.08041	2.0
135.11705	1.8
137.09604	1.7
143.08659	1.0
145.06436	0.8
145.10120	1.3
147.08035	3.4
147.11682	6.3
149.09639	3.1
151.11180	22.3
152.10652	1.8
153.01854	7.1
155.03427	0.9
157.10124	5.8
161.09641	2.2
162.12764	2.4
163.11169	1.4
165.09175	1.0
165.12790	1.7
167.07069	2.3
169.12242	2.7
170.11754	4.1
175.11201	7.3
191.10664	1.4
193.12250	18.1
194.15445	2.4
196.13351	1.3
199.07574	1.1
204.13876	1.8
208.13310	5.7
211.13295	37.9
215.12840	1.7
222.14981	1.6
250.17957	5.5
253.14352	100.0
254.14841	1.5
255.15887	1.4
267.15939	10.3
271.15414	26.7
285.16989	22.4
297.17056	3.9
344.18481	0.9
355.15656	1.0
362.19687	6.2
384.18280	1.0
395.28024	3.8
404.20660	3.9
405.21448	35.0
406.21619	1.7
442.19080	1.1
445.25842	7.1
463.26846	19.7
464.27551	0.9
469.22543	0.9
481.27972	64.0
482.28250	3.4
516.26056	1.4
678.32269	3.0
679.33228	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	678.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41274	0.3
55.05486	0.3
56.90701	0.3
65.28815	0.3
67.05527	0.4
69.03429	1.3
70.06591	1.4
71.04979	2.2
71.44039	0.3
79.05495	0.5
80.05018	1.1
81.07051	0.5
82.06588	0.3
83.01357	1.5
83.07373	0.4
84.08147	1.5
91.05509	0.5
94.06595	0.7
95.08633	0.7
96.08138	0.5
97.34311	0.4
99.04460	0.3
100.07668	0.3
105.07018	0.4
107.08601	0.5
110.09695	0.7
111.08083	2.9
115.03936	1.2
119.08594	0.5
122.09647	1.9
124.11282	0.6
127.03947	0.5
134.09641	0.7
136.11224	3.2
148.11267	0.4
150.09126	1.9
152.10707	0.9
155.07028	0.9
161.06046	0.3
162.09174	0.5
162.12801	0.8
164.10692	0.3
164.14363	5.0
168.10226	1.2
176.14282	0.5
180.13849	0.6
182.11790	4.9
182.15477	0.9
183.67754	0.3
190.15942	0.6
208.13335	0.7
234.14906	1.6
236.16382	1.6
245.22150	0.4
247.09843	0.6
259.51553	0.4
278.17554	0.7
289.86450	0.3
292.19226	0.7
308.18597	2.8
310.20209	0.6
354.19064	0.6
364.21509	0.6
365.21506	0.4
378.18869	0.3
382.22397	2.2
383.22681	2.4
390.22662	0.5
394.95517	0.4
406.22086	0.5
408.23785	0.5
412.70926	0.3
434.21838	6.9
452.22791	100.0
453.23184	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	679.3305
Annotation	Toxiusol
Peak:m/z	Relative Intensity
53.03949	0.8
55.05514	1.3
57.03430	2.1
57.85664	0.5
61.02930	4.6
67.05511	1.8
69.03428	3.1
71.05005	0.8
73.02915	3.2
79.05505	1.6
80.17623	0.6
81.03419	9.8
81.07052	2.0
81.45415	0.6
83.08609	2.7
85.02911	5.0
87.04501	0.8
91.03941	3.6
91.05500	2.5
93.07049	1.8
95.04992	3.2
95.05516	0.6
95.08643	1.0
97.02901	3.3
101.02382	1.3
105.07034	2.5
107.04994	0.7
107.08624	1.2
109.02908	0.6
109.06488	0.7
111.04451	0.8
111.08090	1.2
117.65385	0.6
119.08601	1.9
121.02851	0.9
121.10152	1.0
122.07158	1.0
127.03944	2.1
129.07018	1.2
131.08591	1.5
133.10146	0.5
135.11777	0.6
147.11655	1.1
149.09642	0.9
157.10156	1.1
161.06110	0.7
161.96712	0.5
165.53204	0.5
173.13274	0.7
175.11221	1.9
185.04338	0.6
193.08661	1.2
193.12263	3.3
196.75012	0.6
243.08417	1.8
248.99704	0.6
251.12573	4.7
267.15939	1.7
307.14951	0.8
451.19348	8.7
460.28720	0.6
469.20554	5.5
679.32947	100.0
680.33264	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	679.3304
Annotation	Toxiusol
Peak:m/z	Relative Intensity
55.05510	1.0
57.03443	1.2
61.02925	2.8
63.26552	0.4
67.05505	2.1
69.03111	0.3
69.03429	2.2
69.07080	0.7
69.35832	1.7
71.05005	0.8
71.11600	0.4
72.30588	0.3
73.02919	2.2
77.72097	0.3
79.05491	2.5
81.03429	3.8
81.07041	2.1
83.05000	1.4
83.08644	1.0
85.02901	4.0
91.03972	1.9
91.05474	3.8
93.07047	2.2
95.04985	1.5
95.08640	1.1
97.02906	3.1
97.06557	0.7
97.10113	0.4
99.04471	0.5
99.27126	0.3
101.02411	1.0
105.07047	1.9
107.04969	1.6
107.08654	0.5
109.02881	0.4
109.06564	0.5
109.10179	0.5
111.08131	0.4
119.08552	2.2
121.10170	1.1
127.03960	0.9
129.07048	1.1
131.08598	1.2
133.06512	0.4
133.10170	1.5
135.08127	0.4
142.07808	0.4
147.11702	1.1
149.09674	0.7
157.10164	1.4
175.11214	0.9
185.04352	0.4
193.12303	1.4
211.13286	0.5
233.11523	1.0
243.08492	1.4
251.12654	0.8
267.16013	0.5
451.19412	5.0
452.16577	0.7
469.20514	5.8
679.32941	100.0
680.33258	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	679.3303
Annotation	Toxiusol
Peak:m/z	Relative Intensity
53.03941	0.7
54.59090	0.2
55.01870	0.6
55.05517	1.1
57.03437	2.1
61.02928	5.6
67.05506	2.9
69.03430	3.2
69.07096	0.3
71.04995	0.9
73.02917	3.5
78.47425	0.2
79.05494	2.4
81.03419	10.7
81.07050	2.0
81.75455	0.3
83.04963	0.6
83.08626	2.9
85.02910	5.9
85.06541	0.4
87.04489	0.4
91.03963	3.6
91.05484	3.9
93.07059	2.1
95.04979	3.4
95.08614	1.0
96.37019	0.3
97.02895	5.4
97.03480	0.4
97.06556	0.5
98.22684	0.5
99.04470	1.0
101.02408	1.4
103.03951	0.6
105.07023	2.8
107.04983	1.2
107.08611	0.8
107.54108	0.3
109.02886	1.1
109.06562	0.6
109.10195	0.3
111.04498	0.4
111.08108	1.1
113.72745	0.3
115.03940	0.3
117.07018	0.8
119.08573	3.0
121.06569	0.4
121.10186	1.3
125.06080	0.3
127.03917	2.0
129.05530	0.3
129.07007	1.6
131.08589	2.3
133.06570	0.7
133.10156	0.8
135.11682	0.4
143.08609	0.4
145.04962	0.3
145.10155	0.6
147.08046	0.3
147.11681	1.7
149.09662	0.8
157.10103	1.5
171.11737	0.3
175.11217	1.3
185.04343	0.4
193.12230	3.1
197.13394	0.4
211.13348	0.5
216.11163	0.2
233.15407	1.2
243.08316	1.3
251.12549	1.1
267.15948	2.6
301.14490	0.3
307.18854	1.3
316.93311	0.3
321.65063	0.3
378.46649	0.3
451.19461	6.2
451.25354	0.5
452.19864	0.8
453.21082	0.4
467.19135	0.4
469.20523	3.5
470.21069	0.3
499.30606	2.0
587.87158	0.3
679.32983	100.0
680.33282	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	679.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01871	0.6
55.05512	0.8
57.03443	2.7
61.02930	4.9
62.88079	0.3
67.05504	2.8
69.03425	2.6
69.07063	0.8
69.49509	1.6
71.05016	0.7
73.02927	3.4
79.05495	3.2
81.03420	7.9
81.07063	3.1
83.04992	1.1
83.08621	2.4
85.02906	4.8
87.04481	0.5
91.03945	2.7
91.05480	4.2
93.07053	2.1
95.04964	3.5
95.08627	1.3
97.02902	4.9
97.06569	0.4
99.04490	1.2
101.02384	2.0
103.05543	0.5
105.04389	0.4
105.07030	3.1
107.04975	1.1
107.08620	1.4
109.02938	0.6
109.06555	0.8
109.10159	0.7
111.08109	1.1
115.03930	0.4
117.07024	1.2
119.08547	2.6
121.02859	0.4
121.10174	1.1
123.08119	0.5
127.03947	1.3
127.23643	0.4
129.07053	1.5
131.08568	2.3
133.06558	0.5
133.10159	1.2
135.11707	0.6
135.16687	0.4
137.09628	0.4
143.08485	0.4
145.05040	0.4
145.10196	0.7
147.08022	0.5
147.11752	1.3
147.44975	0.4
149.09691	0.5
157.10158	1.4
164.31860	0.4
175.11247	1.0
185.04237	0.6
193.12292	2.7
194.87477	0.3
211.13295	0.7
222.95976	0.4
233.15454	1.5
243.08470	2.0
251.12416	0.7
267.15967	2.8
307.15421	0.7
307.19083	1.3
313.63193	0.4
405.22287	0.4
451.19394	4.3
469.20465	8.2
499.30710	3.1
523.76282	0.4
543.65063	0.4
614.83228	0.4
679.32996	100.0
680.33319	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	679.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65980	0.2
56.99170	0.1
58.05315	0.1
61.10397	0.1
62.57745	0.1
64.45049	0.1
68.16375	0.1
69.03429	0.2
69.87552	0.3
69.87885	0.4
70.06607	0.8
84.24363	0.1
93.07041	0.2
98.06081	0.3
98.22814	0.3
102.57464	0.1
104.42721	0.1
105.55025	0.1
110.09679	0.3
126.05486	0.4
136.11208	1.8
148.11169	0.2
149.11987	0.4
150.09125	0.1
162.12770	1.6
167.11810	0.2
174.12782	0.4
176.14343	0.2
195.11302	0.5
204.13727	0.2
210.14929	0.2
211.45239	0.2
216.13840	0.5
222.14905	0.4
230.15434	0.4
248.16458	18.3
249.16942	0.5
258.18512	0.2
268.17029	0.2
276.19534	0.3
304.19058	0.9
322.20111	100.0
323.20505	3.0
340.21381	0.2
440.67276	0.2
680.37372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.39697	1.2
55.01875	1.4
55.05515	21.9
57.03439	9.8
57.07079	11.2
59.67349	1.2
61.02934	16.4
62.79767	1.1
65.03940	2.8
67.05508	80.8
69.03427	2.1
69.07070	30.2
69.79549	1.2
70.06592	1.6
70.60938	1.4
71.05005	1.5
71.08640	7.4
73.02924	8.2
77.38752	1.2
79.05495	25.1
81.03453	1.8
81.07061	97.9
83.04974	2.8
83.08631	26.2
85.02903	23.2
85.06551	2.2
85.10181	1.6
88.07643	1.8
91.03969	21.2
91.05484	21.1
93.07048	27.8
95.04987	2.2
95.08610	84.8
97.02895	9.7
97.06541	8.9
97.10175	14.2
98.18611	1.2
99.08104	4.7
100.37011	1.3
105.03367	1.2
105.07041	12.9
107.08595	18.4
109.10160	42.1
111.08101	5.7
111.11728	6.1
113.09641	2.2
119.08588	12.7
121.06554	2.0
121.10152	27.5
123.08073	1.5
123.11717	24.6
125.09643	1.9
125.13295	2.3
127.03951	6.4
127.11240	2.0
133.10138	17.0
135.08104	1.4
135.11684	12.1
137.06027	1.6
137.09648	2.5
137.13240	11.4
139.11140	1.4
139.14723	1.4
141.12761	3.4
142.36719	1.1
145.04956	11.2
147.11703	12.6
149.02356	1.8
149.13283	12.7
151.14833	7.7
151.79306	1.2
155.14348	4.0
161.13264	15.0
163.06030	12.4
163.14821	12.0
165.12726	1.3
165.16408	9.9
166.16360	1.1
167.14343	1.9
170.66068	1.1
175.14827	11.6
177.16368	3.0
179.17923	7.7
189.16411	5.4
193.04977	3.0
193.15915	2.2
203.17941	1.8
217.19545	2.2
245.22667	71.1
246.23058	3.5
256.26437	3.7
257.26740	3.1
263.23712	100.0
264.24130	2.7
265.25287	2.0
268.06741	1.2
281.24841	1.8
325.22003	1.2
337.27374	68.8
338.27756	3.4
355.28482	11.8
371.25656	1.3
420.98218	1.3
481.31903	1.7
499.32523	7.9
619.26691	1.6
678.54657	3.7
679.54498	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	679.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38932	0.3
55.01853	0.5
55.05533	0.3
69.03421	0.4
70.06586	1.3
70.56212	0.3
70.56539	0.4
72.08156	0.7
84.08146	1.3
110.09673	0.9
111.08064	0.5
120.08107	0.5
124.11244	0.5
125.05997	0.8
129.10254	0.9
136.11224	3.3
136.99294	0.3
137.05995	0.3
145.16850	0.3
150.09148	0.4
162.12798	1.4
171.79683	0.3
173.48979	0.4
174.12758	0.4
210.14876	0.8
216.13818	0.5
220.16969	0.4
222.14923	0.8
223.48557	0.3
230.15454	0.5
234.14835	0.6
248.16469	16.3
249.16800	0.5
266.17447	3.4
272.15982	0.3
304.19107	0.7
308.18610	1.9
322.20111	14.4
323.20529	0.7
340.21182	100.0
341.21527	4.2
679.16730	0.3
679.37592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
59.86052	0.5
64.91235	0.5
72.08143	1.3
81.07044	0.6
100.11245	3.2
111.04464	0.7
126.66674	0.4
130.40178	0.4
150.61253	0.5
182.15468	1.6
187.03941	0.5
209.16499	1.1
210.14932	1.3
215.11351	1.3
219.82091	0.5
225.13437	0.6
243.14490	0.6
250.33401	0.4
253.12895	1.9
265.17673	0.6
271.13962	1.1
281.12659	0.6
298.29123	0.5
300.15576	0.6
303.81308	0.4
315.18195	0.5
325.76984	0.4
333.19348	1.4
351.21390	100.0
352.21747	2.1
369.21225	1.5
392.22925	0.4
435.21915	0.9
453.22638	0.7
516.34448	1.4
517.34753	1.0
619.07263	0.7
679.39380	5.6
679.51318	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	680.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
51.31042	0.4
53.03937	1.0
54.06017	0.4
55.01872	4.5
55.05515	2.9
57.03426	1.1
65.03928	0.5
67.05504	3.7
69.03432	5.7
69.06764	0.5
69.07072	5.7
71.04992	3.4
71.08656	0.5
71.46700	0.4
77.03915	1.3
79.05495	11.1
81.03416	4.6
81.07053	3.6
83.04981	4.7
83.08618	1.1
85.02911	2.0
85.06538	0.9
87.00889	0.4
87.04503	0.4
91.04945	0.5
91.05477	7.3
91.28866	0.5
93.07039	7.9
95.04971	5.3
95.08592	2.7
97.02880	1.1
97.06527	10.2
99.04464	5.5
100.07605	0.4
100.11244	2.3
101.05971	0.5
102.66522	0.4
103.05468	2.1
105.04512	0.6
105.07030	40.3
106.07354	0.8
106.68506	0.4
107.04958	6.7
107.08593	3.7
109.02861	1.2
109.06530	2.3
109.10126	1.8
111.04453	0.7
111.08055	0.7
113.05986	0.7
115.03957	0.6
115.05470	1.2
117.06261	0.7
117.07012	6.6
119.04943	2.4
119.08565	3.2
121.02785	0.5
121.06506	33.9
121.10126	1.5
122.06805	0.8
123.08105	0.8
123.11716	0.5
124.11227	0.7
125.05996	6.7
125.09577	0.4
127.03907	1.6
128.06187	1.4
129.06998	3.7
130.07764	3.5
130.09973	0.4
131.04904	1.1
131.08566	9.4
133.06485	28.6
133.10092	2.1
134.06831	0.6
135.04453	2.2
135.08040	1.5
135.11679	0.8
137.05945	0.7
139.07530	1.0
139.08662	0.5
141.06999	3.1
142.07787	0.6
142.12306	3.3
143.07016	6.7
143.08546	4.9
144.05701	1.3
144.09348	2.3
145.04852	0.5
145.05270	0.7
145.06485	11.4
145.10124	50.1
146.07236	0.5
146.10490	1.6
147.04402	7.5
147.08018	2.2
147.11668	1.1
149.09602	0.8
151.07553	1.1
153.06989	1.3
154.07762	3.3
155.08553	8.1
156.09363	0.7
157.06560	0.7
157.10109	1.5
158.07265	16.8
159.04457	0.9
159.08057	14.0
159.11688	16.7
161.05992	0.8
161.09612	3.1
161.13226	0.6
163.07506	0.5
163.11172	1.4
167.07091	0.9
167.08456	0.5
169.07822	0.5
169.10138	7.4
171.08087	2.6
171.11711	1.3
172.08830	6.2
173.09618	100.0
174.06789	0.4
174.09976	3.1
175.07634	0.7
179.08582	4.5
181.04956	0.6
181.06464	0.5
182.07253	2.5
182.15405	0.9
183.09152	0.5
185.09641	0.6
187.07594	1.6
187.11180	44.5
188.11507	0.6
189.09103	1.3
189.12692	1.0
191.10722	2.1
197.09610	12.5
197.11433	0.7
200.08287	0.5
205.12239	16.8
206.12560	0.4
209.16512	0.8
210.14865	1.0
213.09131	0.7
215.10667	82.1
216.10980	2.7
219.17421	0.5
233.11722	79.0
234.12029	3.1
237.18442	1.2
241.08434	0.5
251.12741	2.2
273.11087	0.7
319.11755	4.0
333.24136	1.6
337.12811	23.7
338.13052	1.1
351.25418	0.8
354.10898	0.5
355.13892	19.2
356.14236	0.7
386.13358	0.6
388.21143	0.7
395.17200	0.4
404.20648	1.0
439.26752	0.7
481.16830	1.6
499.18225	5.1
523.19543	1.3
558.10632	0.5
679.50787	2.0
680.30841	3.6
680.51221	1.3
681.33026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01866	2.6
55.05502	4.0
55.39810	0.7
57.03430	2.6
57.07067	1.0
67.05503	10.3
67.07594	0.8
69.03059	1.3
69.03428	17.9
69.07069	6.2
69.46974	3.6
71.03599	0.7
71.04977	5.7
71.08595	0.7
77.03947	0.8
79.05488	10.7
81.03420	9.2
81.07054	14.0
83.04985	5.0
83.08623	3.1
85.02890	4.9
85.06541	2.0
91.05472	10.7
91.74040	0.8
93.07043	8.1
95.04962	8.5
95.08595	5.0
97.02891	2.5
97.06525	6.6
97.10185	0.9
99.04460	6.4
100.11269	0.9
103.05472	1.8
105.04523	1.4
105.07027	68.5
106.07391	1.1
107.04962	3.6
107.08591	8.3
109.02864	3.4
109.06483	3.7
109.10155	8.7
111.04447	1.2
111.08112	1.5
113.06004	1.6
115.03893	1.0
115.05446	1.7
116.10728	1.7
117.07026	8.2
119.04944	3.5
119.08578	9.4
121.06511	9.8
121.10114	5.3
123.08083	2.0
123.11695	7.5
124.11240	1.5
125.05983	3.0
127.03899	3.4
127.11246	0.8
128.06224	1.0
129.05431	1.1
129.07011	3.9
130.07767	5.2
131.08577	14.0
133.06485	14.9
133.10120	11.4
135.04373	1.5
135.08043	1.6
135.11681	4.5
137.05882	1.0
137.09590	1.0
141.06921	1.3
142.07742	1.3
142.12265	8.9
143.07051	1.9
143.08592	5.2
144.09357	4.7
145.06456	7.6
145.10120	100.0
146.06844	0.7
146.10461	1.9
147.04369	3.9
147.08044	2.6
147.11661	5.9
149.05957	1.0
149.09618	2.5
151.07520	1.9
151.11174	2.7
154.07747	2.9
155.08574	5.2
157.10101	3.9
158.07259	8.4
159.08041	8.1
159.11688	37.5
160.11949	1.0
161.09608	10.0
161.13184	1.0
163.07518	1.9
163.11212	4.6
165.12779	2.8
167.10625	1.0
167.14476	0.7
169.10144	7.4
171.08089	1.5
171.11624	1.9
172.07503	0.7
172.08759	4.0
173.09615	50.5
173.13127	1.4
175.11191	2.9
177.12720	0.9
179.08546	1.5
181.06487	0.8
181.12227	1.3
182.07240	1.4
187.11174	36.9
188.11479	1.1
189.12695	4.0
191.10643	2.2
193.12247	5.5
197.09593	8.2
205.12233	94.5
206.12593	2.4
211.13231	3.1
215.10669	95.2
216.11008	2.9
229.14316	4.5
233.11716	53.3
234.12086	1.0
251.12770	4.9
255.15839	2.3
267.15918	1.7
273.16998	1.2
285.17035	2.3
291.12222	1.3
309.13266	2.9
315.23187	1.5
319.11734	5.8
333.24255	10.5
337.12793	19.7
341.13675	1.4
342.59213	0.9
351.25247	15.8
354.10986	2.7
355.13870	6.0
359.14587	1.3
369.26309	2.4
377.15912	1.5
404.20703	0.9
421.25760	3.2
439.26950	6.2
447.27057	1.3
465.28531	4.0
476.38510	1.0
481.16867	6.1
483.29367	3.1
499.18085	9.2
516.37091	0.8
679.50732	2.0
680.30133	8.7
681.35547	1.6
688.42706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01868	7.3
55.05509	6.4
57.03439	2.2
57.07064	1.2
60.85694	0.9
61.02901	1.1
65.03930	1.6
67.05511	10.4
69.03432	9.4
69.07070	8.9
69.27596	5.8
70.06586	1.2
71.04979	3.5
77.03959	1.2
79.05489	18.0
81.03411	12.2
81.07051	13.9
83.04966	9.3
83.08591	3.7
85.02894	7.1
85.06541	1.7
86.09696	1.5
91.05479	11.7
93.07043	16.3
95.04960	10.3
95.08624	6.4
97.02873	3.4
97.06526	11.1
97.10162	1.2
98.23450	1.7
99.04457	9.8
100.11265	5.9
101.05979	1.2
103.05450	2.9
105.04571	1.5
105.07025	55.8
107.04948	11.3
107.08581	12.5
109.02839	4.4
109.06494	4.4
109.10144	7.5
111.04445	3.5
111.08034	1.1
113.05980	1.6
115.03902	2.6
115.05427	2.2
116.60973	1.0
117.06998	8.7
119.04924	3.8
119.08585	9.1
121.02827	1.0
121.06500	38.1
121.10108	6.5
122.06850	1.0
123.08055	1.7
123.11713	6.4
124.11192	1.6
125.05964	9.2
125.09637	2.0
127.03894	3.4
128.06224	2.7
128.07094	1.0
129.07007	5.3
130.07776	4.1
131.04909	1.3
131.08559	12.4
133.05547	1.6
133.06485	24.7
133.10110	7.0
135.04384	3.6
135.08043	2.5
135.11673	3.6
137.06032	1.1
137.09633	1.3
137.13272	1.0
139.07494	2.8
139.20839	1.2
141.06989	5.4
142.07788	1.3
142.12262	5.1
143.07022	9.4
143.08536	6.6
144.09302	3.3
145.04976	1.4
145.05376	1.4
145.06483	11.8
145.10118	64.2
146.10513	1.5
147.04419	5.6
147.08035	4.0
147.11681	3.7
149.06013	1.0
149.09647	2.9
151.03970	1.1
151.07481	1.9
151.11168	3.7
153.12767	1.3
154.07790	4.1
155.08553	8.5
157.06471	1.2
157.10126	3.3
158.07249	18.6
159.08061	17.0
159.11687	25.1
160.12007	1.2
161.09575	5.8
163.11110	2.2
163.14806	1.0
165.09100	1.3
165.12782	2.9
167.07085	2.4
167.08591	1.9
167.10643	1.9
169.10089	11.7
171.08037	2.0
171.11746	1.2
172.08847	5.4
173.09608	100.0
174.09972	2.9
175.14691	1.8
177.09071	1.3
179.08524	5.3
181.04932	1.9
181.06406	1.9
181.12170	1.0
182.07283	3.4
182.15390	3.0
183.84378	1.0
184.07375	2.4
185.07869	1.3
185.09572	1.5
187.07530	1.5
187.11174	50.9
188.11522	1.9
189.09059	2.3
189.12746	1.9
191.10637	3.3
193.12146	1.7
195.10034	1.5
197.09613	18.3
197.13248	1.2
201.16302	1.8
205.12218	22.8
209.16513	1.2
210.14870	3.7
215.10661	89.8
216.10982	4.3
219.17416	2.1
229.14319	1.3
233.11710	90.7
234.12067	3.4
237.18463	3.8
247.13379	1.1
251.12724	6.4
257.11826	1.6
267.15909	1.4
275.12695	2.5
285.16998	1.5
301.10593	1.4
307.17441	1.4
315.22940	1.8
319.11716	3.5
333.24197	12.3
337.12830	18.4
341.13748	2.5
351.25168	13.2
354.10953	1.3
355.13766	8.0
359.14743	2.1
361.13016	1.7
369.26334	5.6
377.16040	2.9
388.21167	15.7
388.71381	3.5
395.17160	1.3
404.20563	4.5
421.26059	1.2
439.27039	2.4
465.28128	1.8
481.17053	11.2
499.18140	21.3
500.18225	1.2
679.40082	1.5
679.50818	4.1
680.29987	8.0
680.50739	3.2
681.35529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45552	0.4
55.01870	0.4
57.03437	4.8
59.05001	0.9
61.02916	0.8
67.05500	1.1
69.03432	17.8
69.07069	9.4
70.06590	1.7
70.59715	0.5
71.01315	0.5
73.02911	0.9
77.03947	0.8
79.05490	1.0
81.03420	1.4
85.02905	16.2
87.04466	11.4
93.07069	0.5
95.04967	1.5
97.02896	24.5
98.06043	0.5
99.04456	1.0
101.56942	0.4
105.03403	0.5
105.07008	0.5
107.04298	0.6
107.04954	3.2
109.02901	0.4
115.03931	27.3
116.04237	0.5
123.04417	1.2
126.05559	0.6
127.03918	2.6
133.01898	0.8
133.02856	10.9
133.04970	20.5
135.04428	0.5
139.03893	0.7
145.04990	2.1
147.04366	0.8
151.03905	85.6
152.04231	1.5
155.34415	0.4
163.03889	0.5
163.06055	0.8
165.05463	2.1
169.04976	0.7
180.08710	0.9
189.05534	0.8
189.09100	24.0
190.09366	0.5
205.08630	1.1
207.10164	100.0
208.10484	3.2
213.09125	1.3
219.10201	0.5
223.05984	0.6
229.08693	0.5
231.10124	1.4
237.09105	0.6
241.07022	1.0
247.09703	0.5
249.11195	0.6
255.10120	0.9
259.08121	2.0
267.10278	0.7
273.11154	1.3
277.09155	1.0
285.11215	4.9
292.73929	0.5
295.10181	1.0
303.12268	4.6
321.13339	23.0
322.13623	0.7
339.14276	2.4
351.14304	2.2
373.21637	0.5
680.37256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01828	0.7
55.05477	0.3
57.03386	1.5
57.78769	0.2
58.32771	0.2
61.02935	1.1
67.05444	0.9
67.37376	0.2
69.03431	11.0
69.07035	0.2
69.28195	0.9
71.01318	0.4
71.04997	1.8
71.94259	0.2
73.02922	2.2
75.05193	0.2
77.03932	0.2
79.05510	1.0
80.04961	0.8
81.03419	5.3
81.07008	0.7
82.06544	0.3
83.01299	0.6
83.07336	0.2
84.08114	0.2
85.02906	9.9
85.06500	0.3
86.06038	0.3
87.04469	7.0
89.58521	0.2
90.89393	0.2
91.03909	0.4
91.05504	1.8
93.07059	0.9
94.06532	0.5
95.04916	0.7
95.08546	0.3
96.08078	0.6
97.02899	5.4
97.06496	0.3
98.06024	0.4
98.22681	0.3
99.04461	2.5
101.02329	0.6
103.03899	0.7
105.07004	1.0
106.06548	1.0
106.47678	0.2
107.04920	0.3
107.08553	0.5
108.08072	0.6
109.02888	3.4
109.06495	0.5
109.10138	0.3
110.05994	0.2
110.09628	0.6
111.08012	0.7
113.05959	0.4
113.48223	0.2
115.03934	9.4
117.06991	0.5
118.06490	0.6
119.04892	0.5
119.07333	0.4
119.08551	1.0
120.08100	1.4
121.06485	0.5
121.10117	0.2
122.09667	0.9
123.08018	0.6
123.10388	0.3
126.09080	0.5
127.03918	6.8
128.06175	0.2
129.06944	0.5
130.06488	0.4
131.08522	0.6
132.08087	1.2
133.06441	0.3
134.09666	2.1
135.07988	0.3
136.07530	0.3
136.11191	1.0
137.05956	0.7
137.09612	0.3
138.09093	0.6
139.07507	0.2
141.05429	0.3
143.08461	0.5
144.08041	0.5
145.04970	1.7
145.06506	0.4
145.08932	0.2
145.09990	0.3
146.05943	0.7
146.09572	0.4
147.07991	0.2
148.07544	1.2
148.11162	0.3
149.05931	0.3
150.09102	0.7
151.03844	0.2
151.07489	0.4
152.10666	0.7
153.05377	0.3
154.11250	0.2
154.12265	2.6
155.03394	1.2
155.06970	0.5
155.08328	0.2
157.08830	0.3
157.10086	0.3
158.09590	0.7
159.07993	0.4
160.07573	2.2
160.11224	3.3
161.11942	0.4
162.09148	1.2
162.12770	1.1
164.10686	0.4
165.05434	0.9
165.09067	0.3
167.06999	0.5
168.10107	0.3
172.11258	1.0
173.05972	0.2
173.09648	0.4
173.11952	0.3
174.09053	0.6
174.12808	1.3
175.07588	0.3
175.09827	0.3
176.10699	0.7
178.12251	1.0
179.06979	0.8
181.08569	0.3
183.06548	1.3
183.10249	0.2
184.11246	1.3
185.11960	1.1
186.09145	0.5
186.12672	0.8
187.05963	0.2
188.10681	1.6
189.09106	0.2
189.11313	0.3
190.12090	0.3
191.06978	0.3
192.13811	0.8
193.08586	0.3
195.06506	0.4
196.13138	0.3
201.09076	0.3
202.12253	3.9
203.12993	0.7
204.10176	0.4
204.13782	1.0
205.08682	0.3
206.11664	0.2
207.06520	1.0
207.10208	0.2
209.08022	0.3
212.14243	0.5
215.10744	0.2
216.10168	2.2
216.13693	0.3
217.08659	0.3
220.13326	16.4
221.08040	0.4
221.13803	0.9
222.14844	0.6
225.07568	0.5
230.15419	1.0
231.16043	0.3
232.07291	0.2
232.17007	0.3
233.08102	0.2
240.13768	0.5
247.09636	1.2
248.16486	0.4
249.11258	0.7
250.17848	0.2
258.14908	3.9
259.08060	0.7
261.11172	0.3
262.14374	0.3
273.11172	0.5
275.12784	2.2
276.16022	0.6
276.19516	0.5
277.08948	0.2
277.19876	0.3
278.17474	1.1
278.20715	0.5
292.15442	1.6
294.14694	0.2
298.14539	0.3
316.15512	0.3
317.99609	0.3
318.17349	0.3
326.13928	0.4
328.15591	0.3
346.16379	0.3
353.16275	0.2
358.20551	0.3
368.18481	1.6
386.19644	5.0
387.20297	0.4
404.20673	46.9
405.21014	2.6
446.21869	1.0
566.26221	1.8
662.27899	0.5
680.29083	100.0
681.29431	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	680.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	33.6
57.03423	7.2
57.07058	7.5
67.05505	80.3
69.07071	27.0
71.08638	39.7
79.05485	50.0
80.05820	6.5
81.07059	72.0
83.04987	13.9
83.08630	18.5
86.09654	6.7
91.05482	52.5
93.07053	81.5
95.04937	16.9
95.08610	43.6
97.06526	18.5
97.10210	7.5
97.30741	6.6
99.08089	25.1
105.07038	36.8
107.08600	30.4
109.10166	15.3
117.07005	10.5
119.08595	25.9
121.10143	29.1
123.11773	6.5
129.06967	7.9
131.08615	10.1
133.10170	20.9
135.11696	20.8
137.92828	6.4
145.10098	13.0
149.13226	8.9
149.50241	8.3
151.11186	23.4
161.13315	12.5
179.14296	77.6
203.07126	10.8
241.19212	8.4
249.26242	6.4
269.17480	20.8
275.19995	7.4
277.21619	72.6
293.21088	24.1
334.30524	7.3
335.25760	16.2
351.25327	52.4
367.24826	12.7
545.38409	100.0
593.69019	8.2
627.46375	46.5
681.42511	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	681.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.05514	0.3
57.07071	0.2
59.75396	0.1
66.56419	0.1
67.05511	0.4
68.05035	0.1
69.03431	2.0
69.07067	0.7
70.06597	0.9
71.05000	0.1
71.44763	0.1
79.05500	0.3
81.03418	0.2
81.07051	0.7
82.06586	0.1
82.58862	0.1
83.08600	0.1
84.08150	0.5
85.02898	0.8
86.06076	0.4
87.04469	0.2
91.05492	0.4
92.46931	0.1
93.07046	0.5
94.06593	0.2
95.04997	0.6
95.08613	0.5
96.08144	0.6
97.02901	0.3
97.06523	0.4
97.08915	0.2
98.06081	0.5
98.09718	0.2
99.04481	0.2
100.03989	0.1
105.07055	0.5
107.08590	0.6
108.08136	0.3
108.46861	0.1
109.06524	0.5
109.10162	0.5
110.09699	0.4
112.03975	0.2
115.03960	0.7
119.08579	0.5
121.06541	0.2
121.10160	0.4
122.09653	0.5
123.08138	0.2
124.11228	0.6
126.12777	0.5
127.03936	0.3
131.08597	0.3
133.04982	0.3
133.10118	0.9
135.08076	0.2
135.11707	0.2
136.11240	0.5
137.09628	1.4
137.12016	0.5
138.12782	3.0
145.04950	0.3
145.10124	0.3
147.08047	0.4
147.11707	0.4
148.11208	0.3
150.12819	0.3
153.09068	0.2
154.12257	2.3
159.08101	0.2
161.13351	0.2
162.12817	0.3
164.07065	0.3
165.09099	1.0
166.15976	0.2
168.10231	0.1
170.11783	0.2
173.13271	0.5
175.11275	0.3
175.14868	0.3
176.14406	0.4
178.08571	0.2
178.15991	0.2
182.11739	0.3
189.09074	0.2
191.14311	0.8
193.11000	0.5
194.11752	0.3
204.13800	0.4
204.17509	0.9
206.19115	0.2
208.13364	0.2
209.15398	0.5
227.16457	0.3
232.16995	0.7
248.16434	0.4
250.18025	7.8
250.21854	0.3
251.18382	0.2
260.16440	0.3
277.09238	0.5
278.17535	100.0
278.21100	29.1
278.92075	0.1
279.17856	3.6
279.21466	1.3
290.35193	0.1
331.98672	0.1
404.20691	2.6
405.20734	0.2
681.29230	0.2
682.29974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03437	0.1
53.30926	0.1
54.64474	0.1
55.05503	0.2
57.07059	0.1
67.05487	0.3
68.05027	0.1
69.03429	1.9
69.07066	0.4
69.34315	0.4
70.06557	0.1
79.05471	0.2
81.07044	0.4
82.02934	0.1
82.06625	0.1
83.08600	0.1
84.04491	0.1
84.08114	0.1
85.02905	0.2
86.06067	0.5
91.05478	0.1
93.07008	0.2
95.04948	0.3
95.08594	0.2
96.08141	0.2
97.06511	0.2
97.10148	0.1
98.06046	0.5
98.09693	0.1
100.03981	0.1
101.59272	0.1
105.07042	0.4
106.06512	0.1
107.08576	0.2
108.08105	0.1
109.06532	0.1
109.10193	0.1
111.04389	0.1
112.03909	0.1
115.03934	0.2
119.08573	0.4
120.08041	0.2
121.06490	0.1
121.10150	0.1
122.09647	0.1
123.04417	0.1
124.03931	0.1
124.11212	0.3
126.12738	0.1
127.03906	0.1
131.08531	0.1
133.10164	0.2
134.09598	0.2
136.11185	0.2
137.09616	1.1
138.09138	0.1
138.12801	0.1
140.07021	0.1
145.10092	0.1
147.08028	0.3
147.11694	0.4
148.11183	0.4
150.09137	0.1
150.12785	0.1
152.10686	0.2
153.05403	0.2
154.11063	0.2
154.12263	2.6
159.08038	0.2
161.13202	0.1
162.09082	0.1
162.12787	0.2
164.07036	0.1
164.10684	0.2
164.14281	0.1
165.07898	0.1
165.09120	1.1
165.12822	0.2
168.10201	0.2
170.11819	0.1
173.13194	0.1
175.11168	0.3
175.14815	0.2
176.10678	0.1
176.14232	0.2
178.08632	0.2
178.15930	0.2
180.10278	0.1
182.11755	0.3
188.14310	0.1
190.12256	0.1
191.14339	0.1
192.10211	0.1
193.10945	0.6
194.11771	0.3
204.13788	0.1
204.17471	0.9
206.19016	0.2
208.13281	0.3
209.15346	0.2
215.14276	0.1
222.14920	0.1
222.18610	0.1
232.17006	0.7
233.15363	0.1
248.16451	0.4
250.18030	8.3
251.18224	0.4
260.16397	0.2
275.12814	0.1
278.17505	100.0
279.17856	3.9
292.15625	0.1
386.19775	0.3
404.20676	10.9
405.21075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31742	0.1
51.61983	0.1
55.01876	0.1
55.05518	0.3
56.05050	0.2
59.52684	0.1
61.64705	0.1
62.41620	0.1
67.05486	0.7
68.05038	0.2
69.03430	1.2
69.07084	0.4
70.06593	2.6
70.06943	0.3
70.31264	0.1
77.27767	0.1
79.05503	0.4
80.38390	0.1
81.07051	0.7
82.06578	0.3
83.07366	0.3
83.08663	0.2
84.08144	1.8
85.02924	0.4
85.06562	0.2
86.06059	0.2
87.04462	0.2
89.24268	0.1
91.05478	0.4
93.07062	0.6
95.04960	0.3
95.08600	1.2
96.08134	1.1
97.02932	0.3
97.06559	0.2
97.08912	0.7
97.10184	0.1
98.06066	0.1
98.09704	0.4
104.01217	0.1
105.07039	0.5
107.08614	0.5
108.08119	0.2
109.02886	0.2
109.06577	0.3
109.10140	0.3
110.09682	1.0
113.05949	0.2
115.03952	0.2
119.08565	0.3
120.08088	0.2
121.06497	0.2
121.10168	0.6
122.09682	1.0
123.08073	0.4
123.10461	0.3
123.11765	0.2
124.11215	0.7
125.12010	0.2
126.12783	1.2
126.48655	0.1
127.03971	0.3
131.08562	0.3
133.10156	0.4
134.09633	0.3
135.08025	0.2
135.10529	0.1
135.11679	0.3
136.11230	1.0
137.09592	0.6
137.11974	1.5
138.12782	9.2
139.07521	0.2
139.13570	0.1
141.09068	0.2
145.10147	0.2
147.08170	0.2
147.11714	0.2
148.11209	0.3
149.13292	0.2
150.12784	0.4
152.14334	0.5
154.12253	1.0
162.12817	0.4
163.04001	0.1
163.13509	0.2
164.14365	0.2
165.09113	0.4
166.15981	0.4
166.46983	0.2
173.13246	0.3
175.11037	0.2
176.14293	1.2
177.15080	0.5
178.15935	0.7
180.17464	0.3
181.04939	0.3
182.11755	0.2
191.14397	0.2
191.16708	0.5
204.17546	0.4
209.15311	0.3
225.20927	0.1
227.16434	0.3
229.90915	0.2
232.17044	0.3
232.20532	0.2
236.16443	0.2
248.16556	0.2
250.18015	2.7
250.21790	0.4
260.16403	0.2
260.20044	0.2
277.09296	0.2
278.17575	44.3
278.21164	100.0
279.17892	2.0
279.21469	3.3
404.15622	0.3
404.20676	3.5
405.20761	0.2
526.11017	0.1
681.28772	0.5
682.31122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	1.4
55.05505	0.7
57.03434	0.8
60.84838	0.5
61.02920	0.8
67.05488	0.7
68.99780	0.7
69.03426	7.7
69.41158	2.2
70.06595	1.5
71.04984	1.5
72.12874	0.5
73.02925	0.9
79.05478	1.1
80.05040	0.8
81.03414	5.6
81.07059	1.1
83.01346	0.6
83.05000	0.9
85.02900	12.0
87.00826	2.4
87.04460	1.9
91.03938	0.6
91.05482	1.6
93.07009	1.3
94.06526	0.7
95.07334	0.7
95.08642	1.1
96.85977	0.6
96.90852	0.5
97.02900	5.4
98.06062	1.1
98.23463	1.3
99.04453	2.0
100.07573	0.7
105.01863	0.6
105.07046	1.4
107.04948	0.9
109.02895	3.5
111.08091	1.2
112.07535	0.6
115.03911	4.6
115.05441	1.0
117.06977	1.3
120.08064	0.7
121.06499	0.7
121.10182	0.7
122.09695	1.0
123.04457	0.9
126.05521	0.7
127.03905	9.6
128.06203	0.7
128.07124	1.0
129.06996	1.5
131.04871	0.6
131.08559	1.3
132.08144	0.9
133.04990	0.9
134.09671	1.3
137.05995	6.4
144.08127	1.0
145.04959	6.1
145.06453	1.7
146.09645	0.7
147.08038	0.6
148.07567	1.3
149.06018	1.8
150.09157	3.0
159.02875	0.8
159.08076	0.8
160.05223	1.2
160.07588	3.5
160.11246	1.9
162.09143	2.6
162.12773	4.2
164.04637	0.8
167.07039	3.2
169.10085	0.6
172.07578	0.8
172.11215	0.6
173.06041	3.2
174.09164	2.1
175.07539	8.8
175.09927	1.8
176.10683	1.6
177.05420	3.1
177.09129	1.0
180.13890	0.7
184.11235	1.0
186.09100	1.3
186.12785	2.4
187.07538	2.7
187.09926	1.3
188.10713	3.4
188.14342	1.6
189.09177	0.8
190.06288	1.5
190.12256	23.4
200.10727	2.6
201.11423	0.7
202.12274	2.6
203.13007	4.7
204.13843	4.3
205.08601	7.3
208.13248	2.8
210.14868	0.8
213.09155	0.7
213.12331	1.1
214.12231	4.6
214.15955	0.8
216.13849	3.4
217.08620	3.7
218.11739	8.1
219.10033	0.7
219.12537	1.4
220.13190	1.0
224.14394	0.7
228.13831	0.7
230.11754	1.0
231.12437	0.8
232.13306	38.5
232.16675	3.1
233.13956	3.5
234.14816	3.3
235.09692	3.9
236.12656	1.2
242.15417	7.2
243.16144	1.0
244.16910	0.7
246.14958	0.6
247.09651	1.0
248.12782	4.0
249.13568	3.6
255.10159	7.1
259.08075	1.3
260.16455	18.9
261.17197	5.0
265.10666	5.1
270.14847	3.4
277.09177	0.8
278.17398	0.7
288.15918	18.3
289.16611	1.9
306.16983	53.7
307.17752	24.4
308.18054	1.2
333.17780	0.5
353.14063	1.3
360.17947	1.1
371.14874	3.1
388.21225	0.9
407.22772	1.1
416.20651	5.7
434.21716	100.0
435.22089	5.1
511.56250	0.6
681.51440	1.0
682.31586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01854	1.1
55.05486	1.0
56.04990	0.3
57.03405	1.2
61.02903	0.6
66.15775	0.3
67.05486	0.7
68.99782	0.5
69.03431	7.6
70.06571	0.6
71.04993	1.8
73.02892	0.5
73.83624	0.3
79.05470	0.8
80.04987	0.9
81.03420	5.2
81.07034	1.1
82.06569	0.3
83.01326	0.4
83.04955	1.1
83.08577	0.4
85.02902	6.1
87.00836	2.7
91.05472	1.7
93.07014	1.6
94.06557	0.7
95.04955	0.4
95.07332	0.7
95.08618	0.8
96.08119	0.6
97.02897	2.9
98.06012	0.4
99.04478	2.8
100.07593	1.5
105.01826	1.0
105.06995	1.1
107.08594	0.6
108.08118	0.4
109.02881	4.0
110.05917	0.3
111.08062	0.7
112.07613	0.5
115.03913	0.4
117.01820	0.4
117.06988	1.5
119.08550	0.5
120.04424	0.4
120.08088	1.0
122.06021	0.4
122.09632	1.0
123.08039	0.3
124.07572	1.2
127.03906	5.2
128.06229	0.5
128.07076	2.1
129.07002	0.4
131.08542	1.0
132.08070	0.9
134.09654	0.8
135.08040	0.8
136.11142	0.4
137.05919	0.6
139.03928	0.8
141.07002	0.4
142.07721	0.5
143.08415	0.6
144.07988	0.6
145.04979	0.8
145.06409	0.4
145.08856	0.5
145.10063	0.9
146.06046	0.6
146.09659	0.9
147.08025	0.5
148.07571	1.0
148.11221	0.7
150.09143	2.4
155.08553	0.8
157.10080	0.5
158.06027	0.8
158.09596	1.0
159.02859	1.5
159.08034	1.1
160.07558	3.0
160.08662	0.4
160.11189	1.8
161.06073	0.4
161.09615	0.6
162.09123	2.5
162.12778	3.9
164.10641	0.6
169.10042	0.5
170.09619	0.4
172.07542	0.4
172.08849	0.5
172.11206	1.9
173.09601	0.8
174.09076	1.5
174.12807	1.1
175.07506	0.6
175.09871	1.9
175.11194	0.7
176.10686	1.4
176.19972	0.3
177.09074	1.4
180.13847	0.4
182.11794	0.4
184.08798	0.4
184.11180	0.4
185.09665	0.4
186.09062	0.6
186.12773	1.8
187.07486	0.5
187.09802	0.8
188.10674	3.4
188.14297	1.1
189.09108	1.3
189.11201	0.3
190.12267	20.0
191.10620	0.4
191.12798	0.7
200.10690	2.5
200.14314	0.6
201.09045	0.4
201.12823	0.6
202.12228	1.7
203.10991	0.6
203.13013	3.8
204.10298	0.5
204.13895	3.1
205.04678	0.9
205.08553	0.6
206.11758	0.6
206.15431	0.4
207.06548	0.7
208.13272	2.1
211.11197	0.6
213.12720	0.6
214.12241	3.4
214.15891	1.2
215.10757	0.6
216.10222	0.6
216.13785	3.0
218.11761	6.3
219.12442	0.8
220.13280	0.8
228.13654	0.5
229.12306	0.5
230.11723	0.9
230.15384	0.5
231.12505	0.7
232.13322	35.6
232.16632	2.2
233.13931	2.8
234.14832	2.4
236.12834	0.9
242.11818	0.4
242.12608	0.3
242.15347	5.0
243.13797	0.5
243.16048	0.5
244.16908	0.7
246.14804	0.6
248.12801	3.5
249.13571	3.2
260.16446	17.2
261.17255	3.0
262.14371	0.5
262.18027	0.4
263.16443	0.9
264.16107	0.4
270.14868	2.8
272.16541	1.0
274.14478	0.9
288.15933	14.7
289.14087	0.9
289.17108	1.8
290.17538	0.6
290.71738	0.4
306.16980	53.3
307.17770	24.1
308.17993	1.2
316.19348	0.4
336.18152	0.5
358.20303	0.5
360.18085	1.2
388.21219	0.7
390.22852	0.7
416.20667	7.2
434.21725	100.0
435.22073	4.5
584.23083	0.6
651.82306	0.4
681.37927	0.5
681.50970	0.4
682.26971	6.5
682.38080	1.4
683.23651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80912	0.3
53.03943	2.0
54.44746	0.3
54.98435	0.3
55.01843	1.2
55.05493	0.7
57.03444	1.5
57.07081	0.3
57.62979	0.3
61.02905	0.6
67.05482	0.5
68.99773	0.7
69.03432	8.6
70.06544	0.4
71.05006	1.8
73.02882	1.2
79.05479	0.7
80.04985	0.4
81.02973	0.4
81.03416	6.5
81.07042	0.8
82.06565	0.8
83.01302	0.6
83.04967	0.7
85.02906	8.5
87.00838	4.1
88.07661	0.3
91.03918	0.6
91.05452	1.3
93.07014	1.3
94.06540	0.9
95.04922	0.4
95.07362	0.4
95.08596	0.6
96.08110	0.4
97.02892	3.8
98.06036	0.5
99.04446	3.0
100.07595	1.3
100.81569	0.3
105.01849	1.8
105.07012	1.1
106.06532	0.6
107.08594	0.6
107.90504	0.4
109.02885	5.5
109.06525	0.5
111.08083	0.5
115.03937	0.4
117.01837	0.5
117.07015	0.5
119.08564	0.4
120.04517	0.4
120.08094	0.6
121.06467	0.5
121.10134	0.4
123.04488	0.3
123.08065	0.5
124.07563	1.2
125.06000	0.4
127.03049	0.5
127.03920	8.4
128.06241	0.6
128.07062	3.1
129.01764	0.8
130.06447	0.5
131.08519	1.2
132.08107	0.6
133.10115	0.5
134.09619	1.1
135.08017	1.0
135.11760	0.3
137.05927	0.4
139.03894	0.4
139.07471	0.5
142.07764	0.6
143.08528	1.2
144.08031	0.9
145.04936	1.4
145.06503	0.6
145.08926	0.5
145.10077	0.8
146.05907	0.6
146.09633	0.6
148.07523	1.0
148.11229	0.4
149.05977	0.9
150.09149	2.2
151.07588	0.3
155.08536	0.5
157.10100	1.1
157.52048	0.3
158.06050	0.7
158.09634	1.0
159.02885	1.9
159.08026	0.7
160.07588	2.8
160.11185	1.7
161.09572	0.8
162.09158	2.8
162.12766	3.4
163.09840	0.5
169.10072	0.4
171.08003	0.6
172.07529	0.8
172.08847	0.5
172.11168	1.4
173.09644	1.2
174.09120	1.2
175.09859	1.6
175.11211	0.8
176.10669	1.2
177.09056	1.0
180.13901	0.8
184.11263	0.5
185.09615	0.8
185.13342	0.3
186.09100	1.1
186.12782	1.4
187.09749	0.4
187.11194	1.0
188.10696	2.8
188.14288	0.9
189.09088	0.7
190.12270	18.3
191.10654	0.4
191.12794	0.6
199.11252	0.8
199.13313	0.3
200.10663	2.7
201.09163	0.6
201.12791	0.7
202.12250	1.9
202.67882	0.4
203.10864	0.6
203.13036	3.4
204.13866	2.7
206.11937	0.4
208.13310	2.7
211.11232	0.7
212.10608	0.3
213.12762	0.5
214.12276	3.4
214.15894	1.1
215.10698	0.6
216.13860	2.7
217.14450	0.5
218.09763	0.6
218.11760	4.9
219.12379	0.7
220.13371	0.9
221.14119	0.5
227.10632	0.9
228.13852	0.8
229.12292	0.9
230.11598	0.5
231.04988	0.7
231.12286	0.5
232.13330	33.0
232.16690	2.5
233.13855	2.1
234.14891	2.1
235.11652	0.5
236.12730	1.0
239.10820	0.4
242.15407	5.3
243.10289	0.4
243.13770	0.5
244.16925	0.5
246.14845	0.9
247.13376	0.7
248.12791	3.6
249.13557	3.4
257.11685	0.5
260.16467	14.4
261.14902	0.4
261.17239	3.3
262.14410	0.7
263.16385	0.8
270.14954	2.4
274.14352	0.7
278.17496	0.6
284.16162	0.4
288.15952	13.1
289.14261	1.4
289.17169	2.0
292.15253	0.4
305.14020	0.4
306.16998	49.3
307.17813	21.8
307.21490	0.6
308.18164	0.9
342.17032	0.7
358.20117	0.4
360.18091	1.4
370.19797	0.4
372.21835	0.5
388.21021	0.5
390.22507	0.5
416.20660	6.7
434.21747	100.0
435.22110	4.0
682.26630	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	682.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45791	1.2
53.03946	4.7
55.01867	4.4
56.92498	1.2
57.03445	7.5
61.02920	9.1
69.03429	34.2
69.49796	5.6
70.06606	2.3
71.04990	3.2
73.02914	10.1
79.05506	3.1
81.03420	26.8
81.07053	1.5
83.27039	1.2
85.02904	100.0
87.04468	19.7
91.03954	6.3
91.05490	3.1
95.04988	1.5
97.02894	37.5
99.04449	6.8
100.64541	1.3
103.05465	2.4
105.07065	2.7
107.04948	9.6
108.04499	2.0
109.02882	14.6
115.03931	48.6
115.05414	9.4
117.07014	8.8
122.03642	2.5
123.04430	2.9
124.05226	2.9
127.03912	51.8
127.60884	1.3
129.07040	8.1
131.04930	5.2
131.08562	3.7
133.04958	13.3
133.06494	1.7
137.05977	69.0
141.07008	2.2
143.04924	8.2
144.05612	3.0
145.04970	61.5
145.06483	23.7
151.03911	1.6
153.05464	2.6
155.06012	5.0
156.05664	3.3
157.05313	1.2
157.06505	7.9
159.08022	6.9
160.05188	14.2
161.05986	6.3
163.06035	7.1
163.07368	1.7
167.07042	48.3
172.05232	2.6
173.05962	38.4
174.06703	3.1
175.07547	99.3
176.04866	1.3
176.07895	3.2
177.09187	1.4
181.08559	1.3
183.06491	2.0
185.06015	1.9
187.07536	42.1
189.09096	5.6
190.06221	20.1
191.07057	3.2
199.07573	2.3
202.06264	1.7
203.07005	8.0
203.08615	1.4
205.08603	81.8
206.09059	1.6
217.06641	2.7
217.08598	33.1
218.07289	1.5
219.07991	1.5
219.10141	3.7
221.09705	2.4
223.07553	1.5
228.93443	1.3
231.08052	2.0
233.09685	2.9
234.06696	1.4
235.07527	2.0
235.09645	52.6
239.07121	3.0
241.08821	2.1
246.06918	1.5
247.07541	1.4
247.09593	7.4
249.09100	5.6
259.08142	19.1
260.08408	2.7
261.09146	5.5
265.10715	46.5
266.09195	1.7
271.05972	1.4
275.07172	1.7
275.10480	1.4
276.07666	1.5
277.08813	8.0
278.09396	2.0
281.11691	5.8
285.07645	5.2
289.08655	1.8
293.11826	2.1
294.08932	1.5
300.09998	11.2
301.10770	4.1
306.08807	1.8
307.09769	1.9
308.10532	1.4
309.11133	7.2
321.11099	8.6
326.11395	2.0
338.11465	2.5
339.12186	2.2
341.13800	20.9
353.13843	16.6
365.13864	1.4
371.14868	40.7
681.51086	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
53.25336	1.6
55.01868	3.2
55.05513	8.6
56.40752	1.5
57.03434	5.3
57.07075	4.6
58.77969	1.4
61.02916	5.3
64.25996	1.6
67.05513	11.8
67.57737	1.7
69.03426	19.1
69.07060	8.7
69.82230	5.4
71.04989	5.0
73.02907	2.3
79.05483	9.9
81.03439	10.6
81.07063	21.3
83.04987	14.5
83.08620	7.7
85.02901	51.4
85.06541	3.0
87.04486	16.0
91.03959	3.0
91.05476	9.2
93.07039	17.1
95.04967	49.0
95.08607	11.2
97.02893	19.8
97.06529	10.0
98.23351	2.6
99.04456	15.4
105.07016	18.2
105.34886	1.6
107.08588	26.8
109.02863	8.3
109.06517	25.1
109.10152	37.2
111.08065	5.3
115.03935	56.9
115.07548	4.0
117.06996	2.3
119.08579	17.9
121.06440	1.9
121.10155	23.7
123.08068	8.2
123.11697	9.7
125.09640	3.8
127.03916	33.6
129.07031	1.7
131.08560	23.8
133.02838	2.9
133.04973	20.3
133.10129	59.2
134.10455	1.9
135.08075	12.6
135.11705	13.6
138.65152	1.6
139.11183	5.6
143.08583	2.6
145.04962	27.7
145.10164	11.2
147.11700	12.7
149.09526	1.9
149.13266	20.4
151.03880	2.5
151.11162	10.3
153.09102	22.4
158.10922	6.7
163.06062	8.0
163.14793	3.9
164.37383	2.0
165.12740	3.9
167.14264	7.8
171.10217	2.9
173.13252	60.1
175.14833	22.4
189.09093	11.4
191.14319	62.6
193.15901	3.3
209.15372	100.0
210.15637	3.0
227.16440	26.6
240.77002	1.9
241.07016	1.9
249.19614	1.7
259.08176	8.4
260.16479	4.9
277.09137	23.7
278.17453	9.2
279.17899	4.9
335.90884	1.9
353.19824	2.4
371.20700	2.2
387.92599	1.6
404.20700	3.1
405.21121	2.8
423.05148	1.7
667.01355	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01866	1.8
55.05509	2.2
57.03434	2.2
57.07067	1.2
61.02917	1.9
65.03926	0.6
67.05495	2.7
69.03432	11.3
69.07082	3.3
69.31174	3.6
70.06654	0.6
71.04977	1.9
72.62848	0.7
73.02894	1.4
79.05508	4.4
81.03419	6.3
81.07067	9.2
83.04984	5.5
83.08617	2.0
85.02910	24.8
85.06535	0.7
86.06091	0.7
87.04475	7.4
91.03934	0.9
91.05490	3.1
93.07040	6.9
95.04976	15.5
95.08605	4.2
97.02898	8.3
97.06528	2.9
98.22678	1.6
99.04469	3.9
105.07037	9.7
107.08606	10.9
107.34837	0.6
109.02874	4.1
109.06526	16.0
109.10162	10.4
111.08109	1.8
115.03935	28.2
115.07557	1.2
119.08563	8.7
121.06480	0.7
121.10158	7.1
123.08072	2.4
123.11710	3.8
125.09645	1.2
127.03918	15.4
131.08580	7.9
133.04976	13.2
133.10132	27.1
135.08098	4.1
135.11688	5.3
137.09637	1.7
138.12794	2.0
139.11134	1.0
139.13110	0.9
141.09175	0.6
143.08545	1.0
145.04964	11.7
145.10153	5.0
147.11658	7.0
149.09644	0.7
149.13278	8.9
151.11186	2.4
153.09099	6.3
154.12285	3.2
158.10895	3.3
163.06027	4.2
163.11229	1.1
163.14801	1.5
165.09099	1.7
165.12794	1.7
167.14310	1.6
171.10129	0.8
173.13255	27.9
174.13647	0.9
175.06073	0.7
175.14827	12.7
188.21454	0.7
191.14317	35.1
193.16037	0.8
204.17474	0.7
209.15382	30.3
210.15768	1.1
227.16444	10.0
232.17010	0.7
241.07098	1.3
250.18025	7.8
251.18373	3.9
259.08157	5.0
277.09232	10.5
278.17548	100.0
278.21109	15.8
279.17886	60.9
279.21420	9.2
280.18182	1.6
353.19595	2.2
371.20691	1.4
404.20715	2.3
405.21259	3.2
419.25055	0.7
456.20047	0.7
485.23639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.8
55.01856	10.8
55.05513	33.2
57.03436	13.8
57.07072	7.2
67.05506	100.0
69.07069	28.0
69.44365	25.0
71.05009	7.5
71.08632	7.1
79.05496	87.6
81.03391	5.8
81.07063	93.4
83.04967	13.8
83.08617	16.2
85.06535	5.9
91.05479	67.7
93.07048	87.1
95.04967	11.0
95.08611	58.4
97.06528	10.5
97.10165	9.9
105.07033	37.8
107.08609	49.7
109.10184	25.1
111.08092	5.8
111.20831	6.2
117.07026	15.3
119.08610	29.5
121.10166	25.7
123.11735	9.7
129.07034	12.8
131.08575	37.6
133.02884	7.1
133.10123	20.5
135.11690	14.3
139.11218	7.0
143.08560	20.5
145.10135	21.7
147.11707	18.3
149.02344	11.8
149.13261	11.8
156.34032	5.1
159.11705	12.9
163.14908	9.8
170.49767	5.5
171.11719	6.4
189.09082	7.6
203.07088	19.8
204.07388	8.5
205.08627	6.2
221.08107	20.0
222.08469	11.5
223.14821	6.1
243.20996	6.0
255.75661	5.5
261.22238	13.1
269.17615	17.7
277.21667	9.9
335.25839	19.4
515.37036	10.9
527.37604	8.4
529.39032	79.2
530.39233	5.8
611.46631	26.3
629.47137	14.9
682.42487	9.4
683.44171	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	683.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75631	1.9
60.51335	2.1
61.87817	2.1
66.12881	2.3
66.75071	2.1
68.42661	2.2
79.05507	2.2
81.02190	2.0
91.05489	6.0
93.18775	2.6
94.27898	2.0
95.04997	4.9
103.05473	41.6
103.06104	2.9
105.07017	24.8
119.04961	6.5
129.07008	2.1
131.04944	100.0
133.06514	7.6
135.04437	48.7
137.06000	2.2
145.00450	2.1
147.04440	8.7
147.30608	2.3
149.06030	2.8
154.23779	2.0
161.05995	30.5
163.07556	35.7
170.15483	2.1
179.07039	5.1
200.06883	1.9
201.03156	6.7
217.02580	4.0
266.51407	1.9
279.13547	2.6
288.58850	2.5
291.10156	9.3
369.07443	6.2
450.80475	2.3
531.13892	16.0
664.31104	2.7
683.18799	9.6
683.31329	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	683.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45973	1.8
52.76898	1.9
59.02825	2.0
69.03424	2.9
69.76463	2.6
69.76827	5.3
84.08151	2.2
98.23497	2.7
105.07043	2.2
110.94110	1.6
137.06020	2.2
151.29570	1.6
163.03973	4.9
164.04295	2.2
173.80902	2.1
186.12032	2.2
241.08647	3.5
242.09088	2.7
329.94266	1.9
683.21399	100.0
684.21887	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	683.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	5.3
70.06641	4.7
71.46052	5.4
83.59019	4.5
84.08140	34.8
85.02898	7.9
85.89070	4.5
102.68325	4.3
105.07048	9.3
121.02885	5.3
131.04961	4.9
137.05986	4.5
144.15079	4.3
182.25314	4.3
197.01234	7.0
220.13329	34.5
221.13857	12.6
269.11880	7.0
270.95984	5.2
337.03983	5.3
416.20712	5.5
429.08548	6.2
430.09634	5.6
471.13446	6.0
682.32367	6.8
683.20746	100.0
683.32886	19.9
684.33771	8.7
694.77142	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	683.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71947	1.1
67.75081	1.3
71.45602	1.6
85.02917	1.8
95.25603	1.3
114.05933	1.3
121.06613	1.2
125.23863	1.3
127.03909	1.7
131.04970	1.9
131.30879	1.2
135.04436	1.3
136.69662	1.3
137.05922	1.4
145.05069	1.5
157.06554	1.3
165.19305	1.5
167.07045	1.6
176.04366	1.7
190.37709	1.5
201.05246	2.8
216.07587	20.1
217.08360	2.7
232.06963	6.3
287.20300	1.2
368.91400	1.3
390.23376	1.4
446.17111	1.3
459.18018	5.3
471.17825	1.4
489.18909	39.9
490.19312	6.2
677.70911	1.5
683.28278	100.0
684.28638	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	683.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
57.03437	0.4
60.32574	0.2
61.02926	0.8
62.14015	0.3
67.05506	1.7
69.03429	0.6
69.07076	0.3
71.04993	0.4
73.02920	0.4
79.05486	0.7
81.03410	0.7
81.07056	1.0
83.05006	0.3
85.02900	1.3
91.03971	0.8
91.05488	1.0
93.07054	1.2
95.04946	0.4
95.08615	0.5
97.02897	0.5
97.06538	0.4
99.04459	0.4
105.03444	0.4
105.07043	0.7
107.08611	0.8
109.06544	0.4
109.10178	0.7
111.08093	0.3
117.06989	0.3
119.08600	0.5
121.10232	0.3
127.03962	0.4
133.10133	0.8
133.39948	0.3
134.06059	0.4
135.11726	0.7
137.05998	0.7
145.10127	0.3
147.08031	0.3
147.11722	0.6
149.09639	0.3
162.12685	0.3
173.09680	0.3
229.14412	0.7
243.08528	0.3
267.09161	0.4
281.58536	0.3
283.15396	0.4
376.04202	0.3
399.32544	0.4
435.26913	0.3
439.19647	1.1
455.18451	0.9
467.19031	0.6
469.20459	0.6
485.17697	0.5
486.35809	0.6
504.37064	0.5
522.38037	0.7
639.34235	0.5
665.31488	1.7
666.32544	0.4
683.30627	100.0
684.30969	9.5
684.43018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4496
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
59.32415	0.7
67.05499	3.4
67.78436	0.7
69.03408	1.2
69.07069	1.2
69.27492	1.8
69.27873	1.6
79.05519	0.8
81.07058	2.7
85.02901	1.9
91.05429	0.9
93.07046	1.6
95.04956	1.2
95.08624	2.6
97.02922	0.9
107.08585	0.8
113.06030	0.8
115.16245	0.7
127.03941	2.0
145.04971	2.8
280.14844	0.7
293.28885	0.8
331.18759	7.4
387.21555	2.5
420.54846	0.7
478.88318	0.9
541.53345	0.8
583.04889	0.8
683.44904	100.0
684.45148	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	683.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17570	1.8
67.01765	1.7
69.23841	9.0
72.15224	2.1
73.04755	3.7
83.08624	2.1
85.02903	2.2
91.05824	4.5
98.40533	1.8
105.07028	2.0
109.10168	2.5
118.80096	2.2
127.11185	2.5
133.06548	1.9
147.51270	1.7
161.06012	1.9
167.05548	2.2
215.11284	3.1
243.14452	5.3
253.12843	3.8
271.13885	4.2
317.19635	2.4
327.23041	2.1
335.20627	7.5
353.22958	100.0
354.23291	2.5
354.56964	2.0
359.03067	2.0
371.22763	8.7
549.84448	2.7
637.37274	2.6
683.49615	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	684.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18306	0.8
53.03945	4.1
53.91723	0.7
55.01865	3.4
55.02105	0.8
55.05495	1.9
57.02740	0.9
57.03430	2.4
61.02930	3.1
65.43205	0.7
67.05497	1.6
68.99800	1.8
69.03430	11.7
69.07082	0.9
69.36905	3.9
71.04995	4.9
73.02915	3.4
75.70605	0.9
79.05480	4.5
81.02959	1.5
81.03416	22.7
81.07050	3.7
85.02399	1.8
85.02902	29.8
86.40952	0.8
87.00826	13.5
87.04446	1.3
91.03975	1.3
91.05448	4.3
93.07052	3.4
95.04964	2.3
95.08604	2.9
97.02896	13.6
97.06537	1.3
99.04451	6.3
100.11265	1.0
101.11576	0.8
103.05474	1.6
103.60098	0.8
105.01866	9.7
105.07036	3.7
107.04962	10.4
107.08606	3.4
108.04501	1.8
109.02872	12.1
109.10131	2.3
115.03944	2.4
115.05462	4.7
117.01864	2.3
117.07015	14.2
119.08575	3.0
121.06518	11.8
121.10119	1.0
123.04409	4.4
123.11714	4.3
124.05193	2.3
124.11233	1.2
125.05991	1.4
126.05504	1.7
127.03918	21.8
128.06207	1.3
129.01918	1.2
129.07016	3.5
131.04919	2.0
131.08580	3.4
133.02864	2.3
133.06491	2.1
133.10132	1.8
135.04443	1.7
135.11696	2.5
136.07593	1.2
137.05984	0.9
137.09607	1.5
141.07008	1.6
142.12296	4.2
143.04961	1.3
144.05722	2.3
145.04985	11.6
145.06485	33.0
146.06841	1.3
147.08026	1.4
149.05981	1.6
151.03963	1.1
151.11145	1.1
152.04684	2.4
155.06035	5.0
155.10674	1.3
156.05659	6.0
157.06523	2.4
159.02917	6.6
159.04117	1.3
159.08073	5.9
160.05191	1.4
161.06036	4.1
167.07042	50.7
168.07407	2.4
173.05977	64.4
174.06546	1.1
175.03906	1.2
175.07455	1.8
179.06990	1.0
181.04910	1.8
181.08636	1.3
183.06523	1.6
184.05241	1.6
187.07518	8.5
189.09096	7.4
190.06242	35.9
191.06996	1.8
193.08649	1.7
195.06433	1.0
202.06277	3.9
203.06973	5.5
203.17950	2.1
205.08598	100.0
206.08968	2.8
207.06537	2.5
207.10086	1.0
208.05304	0.9
213.03888	1.3
215.06979	1.0
217.08591	45.7
219.08017	2.1
219.10204	5.3
221.19051	2.8
223.09682	2.8
229.08598	1.0
231.05008	3.3
231.10159	1.2
233.11748	1.0
235.09633	25.5
247.07451	2.4
247.09683	8.6
248.08075	3.3
249.05864	1.1
249.11264	1.7
263.10706	1.4
264.07825	1.4
265.10715	48.9
266.11261	1.1
269.08044	2.1
271.09583	2.6
276.07782	1.6
277.08881	1.6
279.10281	2.2
282.08841	1.4
291.10156	1.9
293.08133	1.5
296.18463	1.0
299.09085	1.2
307.09473	2.1
315.08649	8.6
319.22800	1.5
323.12735	1.3
325.10706	1.8
330.10968	14.2
331.11688	3.6
336.09735	1.5
337.10324	0.9
337.23599	1.6
339.12314	1.4
342.14865	1.0
351.12195	4.5
368.12906	1.2
369.13159	1.5
371.14896	2.1
383.14920	16.9
401.15936	22.0
402.15970	1.2
417.15326	2.0
649.02045	1.0
683.52039	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01866	4.0
57.03447	2.0
61.02921	3.8
64.10239	1.0
65.03938	1.2
69.03435	12.8
69.12749	2.5
69.13151	4.1
70.06596	4.5
73.02908	3.2
73.04718	1.6
79.05497	2.9
81.03410	8.0
81.07046	1.2
84.04509	1.6
84.08113	1.0
85.02908	34.9
86.09695	1.8
87.04469	6.7
91.03962	2.3
91.05454	16.6
93.07051	2.4
94.04176	1.2
95.04968	4.9
97.02895	12.0
99.04471	2.8
102.04716	2.7
103.03944	13.8
103.05466	9.8
105.03394	1.9
105.07052	6.3
107.04955	1.9
107.08602	2.3
109.02865	5.1
109.06548	2.1
109.45007	0.9
110.07207	1.7
115.03941	24.5
115.05468	3.5
117.03351	1.4
117.06995	0.9
119.04945	22.3
120.08100	1.2
121.06496	4.2
122.03672	4.7
123.04433	3.7
124.05194	2.4
127.03909	12.9
130.04132	8.0
131.04948	7.7
133.02888	2.7
133.04974	12.3
133.06497	11.7
135.04379	2.9
137.05977	100.0
138.06345	1.2
143.04951	1.5
143.06004	1.3
145.02863	1.3
145.04976	16.6
145.06477	5.0
147.04408	22.3
149.06012	9.1
150.06737	6.6
151.03897	1.7
151.07576	7.4
157.05022	1.5
159.04393	1.5
160.05202	1.5
161.05974	23.7
162.06766	32.2
163.06148	2.1
163.07571	5.4
165.05547	1.4
169.06493	1.3
171.04413	1.1
173.05984	8.1
175.03917	1.6
175.06129	2.0
175.07555	4.4
177.05438	8.4
179.07037	11.7
180.07756	2.0
187.03789	1.3
187.07471	1.3
191.07057	15.4
193.04929	6.0
197.05952	2.3
201.05444	20.2
203.07027	8.2
204.04160	8.1
205.06560	2.4
205.08467	1.2
207.06502	6.0
215.07056	4.5
217.07016	7.3
219.06473	22.8
229.08618	3.0
231.06535	8.0
233.06064	1.5
233.08075	10.0
234.06723	1.1
237.09128	1.7
247.07591	1.4
249.07339	5.1
250.06337	1.2
251.06995	1.7
257.08029	8.0
259.08142	5.4
265.08463	4.8
269.08127	1.2
275.09158	6.3
277.09122	6.9
283.09738	2.2
290.05817	1.4
292.07205	1.3
293.07587	1.5
293.10620	5.1
305.07892	1.4
307.09567	2.1
309.11380	1.7
311.12683	1.5
323.09146	18.0
323.12616	1.8
324.09793	1.0
325.10690	12.4
337.10632	6.2
343.11758	19.5
355.11755	21.6
373.12927	1.9
389.12506	1.4
407.13385	5.7
418.22415	1.7
429.08694	2.5
456.15771	1.1
610.82001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01868	1.7
55.05510	0.7
57.03442	2.5
59.04998	0.6
61.02916	2.3
67.05487	0.9
69.03432	11.9
69.07086	1.3
70.66517	0.8
71.04988	1.9
73.02926	2.9
77.74046	0.5
79.05497	1.4
81.03418	8.3
81.07047	1.9
85.02908	30.3
87.04470	7.2
91.03951	1.3
91.05465	9.5
93.07051	1.4
94.04189	0.7
95.01241	0.5
95.04963	2.1
95.08584	1.3
97.02898	11.1
97.06538	0.8
99.04450	2.4
101.02345	0.6
102.04667	1.7
103.03947	12.5
103.05457	7.2
105.03386	1.1
105.07030	7.1
106.07374	0.7
107.04939	1.2
107.08591	1.4
109.02872	4.7
109.06525	0.7
109.10107	0.8
111.04465	0.7
113.77749	0.5
115.03931	27.4
115.05354	3.2
117.03353	0.9
117.07024	2.1
119.04940	12.6
119.08585	1.3
120.07917	0.5
121.06512	1.4
121.10161	0.8
122.03645	1.6
123.04432	0.6
124.05215	1.0
124.11231	0.8
125.06041	0.6
127.03918	14.3
130.04170	3.0
130.12567	0.5
131.04936	15.2
133.02864	4.2
133.04970	6.9
133.06459	4.0
133.10132	2.3
135.04395	0.9
135.11670	0.8
137.05977	33.8
139.03929	0.7
141.05391	0.6
141.07002	1.3
141.78160	0.5
142.12303	1.1
143.04916	2.2
143.05997	0.8
145.02867	1.9
145.04968	12.3
145.06451	4.4
147.04404	12.5
147.08113	1.1
149.05984	3.9
150.06816	4.5
151.03925	2.8
151.07524	2.1
155.06033	0.7
157.04962	2.4
157.06342	0.7
158.03630	4.5
159.04414	2.2
160.05176	1.9
161.02327	0.9
161.05995	8.8
162.06761	8.3
162.12808	0.6
163.03868	1.3
163.06042	1.5
163.07526	8.9
165.05449	0.8
167.07074	0.6
169.06544	1.4
171.04350	0.8
173.04518	1.0
173.05980	15.1
174.06522	0.8
175.03889	5.8
175.06013	1.2
175.07545	4.1
175.14842	1.1
177.05501	5.4
177.06970	0.9
179.07011	4.3
181.04924	0.6
181.06502	1.1
183.04405	0.8
185.05966	0.8
186.03131	4.6
187.07553	1.9
188.04626	1.2
189.05470	1.8
189.07097	0.6
189.09102	1.0
191.07037	10.1
191.08669	1.1
193.04941	3.0
193.15817	0.9
194.07298	1.1
197.05885	1.4
199.05943	0.9
201.05464	100.0
202.05777	2.2
203.07002	9.0
204.13849	1.1
205.06502	3.8
205.08545	2.1
206.07175	1.4
207.06461	1.0
211.07687	0.7
211.17104	0.7
213.05470	3.6
214.06230	0.7
215.07053	4.5
217.07007	6.4
218.07304	0.8
219.06477	20.4
222.06746	2.3
225.05544	1.2
227.07079	0.8
229.08641	5.1
231.06493	7.2
233.05922	3.9
233.08105	8.9
234.06648	3.4
235.07732	0.8
237.09103	3.5
238.09416	0.6
239.07043	0.9
242.30946	0.5
243.06540	2.2
245.05959	1.2
247.07529	1.5
247.09785	0.9
248.08316	0.7
249.05659	0.8
249.09045	1.6
250.06248	3.3
250.08586	0.5
251.06992	1.1
257.08105	7.2
259.08063	4.5
261.05472	1.8
262.06256	3.1
263.06998	1.3
264.07886	1.3
265.08597	9.8
266.09283	1.6
267.06485	0.9
273.05438	1.3
275.06750	0.6
275.09241	5.2
276.19678	0.6
277.05588	0.9
277.08957	8.6
278.05716	2.1
278.08932	0.6
278.17572	1.5
279.10153	1.1
279.17691	0.7
280.18979	0.7
280.22473	0.5
282.08795	0.6
287.09091	0.6
290.05640	1.6
292.07333	4.0
293.07526	6.8
293.10370	3.3
294.08682	1.2
295.09579	0.7
297.11197	2.4
300.67343	0.5
305.07962	4.5
307.09586	10.5
309.11127	0.9
310.08304	1.2
311.11465	0.8
322.08389	1.1
323.09079	9.6
323.12570	0.9
325.10706	30.8
326.10959	0.9
337.10675	5.3
343.11722	9.5
355.11771	25.7
356.12198	1.0
367.11221	0.6
373.12885	1.8
389.12311	2.2
407.13385	4.8
429.08429	0.6
433.12515	1.0
517.74097	0.5
683.38623	0.7
684.30316	1.6
684.40784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07766	0.9
53.03948	8.9
55.01874	11.0
55.05510	2.1
57.03432	6.0
59.04977	1.2
61.02925	5.6
61.08261	1.0
65.03930	1.0
67.05492	1.8
68.99780	3.6
69.03428	39.7
69.03806	2.2
69.07073	3.3
70.53759	1.9
71.04990	5.9
73.02921	9.1
73.04763	1.6
79.05489	3.2
81.03415	32.3
81.03898	1.6
81.07056	5.9
83.04957	2.3
83.08624	2.1
85.02902	100.0
85.35204	0.9
86.03232	1.5
87.00826	45.6
87.04460	1.4
91.03945	1.9
91.05450	15.4
93.07043	7.4
95.04983	3.5
95.08608	3.0
97.02895	37.6
97.06525	3.2
99.04448	16.9
99.08060	1.2
103.05460	1.8
105.01866	56.7
105.07023	13.3
107.04931	8.0
107.08620	3.2
109.02876	40.4
109.06522	1.4
109.10150	4.8
111.04453	3.1
115.03918	2.8
115.05437	1.2
117.01843	4.2
117.07040	1.8
119.04952	18.1
119.08550	1.4
121.06494	7.4
121.10145	4.0
123.04471	1.5
123.11735	3.6
124.05196	1.6
125.05979	1.4
127.03913	75.2
129.01830	4.2
131.04900	1.7
131.08597	3.0
133.06490	8.7
133.10123	2.4
135.08084	1.9
137.06027	2.7
138.06786	1.1
139.07538	5.0
143.07089	1.2
145.04968	32.4
145.06531	5.9
145.10162	8.7
146.05336	1.3
146.10487	1.1
147.02888	2.3
149.05992	3.5
151.07547	5.0
155.08577	1.8
158.07259	3.1
159.02881	19.5
159.08015	3.2
159.11688	3.6
161.09570	1.6
161.75269	1.0
163.07494	2.0
164.08385	1.6
169.10117	1.5
172.08856	1.2
173.09615	17.3
175.07509	2.5
177.04010	1.4
177.09085	1.3
182.07309	1.5
187.11160	6.3
188.08182	1.5
189.04001	2.4
189.09158	2.5
189.12842	0.9
193.08653	2.3
197.09616	2.6
205.08577	2.9
205.12245	3.4
213.03978	7.4
215.10655	12.0
217.08737	1.1
225.09094	2.5
227.10722	1.2
229.08592	1.1
231.04985	27.2
233.11691	9.8
235.07603	1.2
249.06079	7.7
249.08907	1.8
250.09895	1.6
253.07123	1.9
253.12369	2.6
257.11725	75.6
258.12067	2.9
259.09616	1.3
266.09406	2.4
267.10095	2.2
269.11761	8.1
279.10178	5.0
281.11700	29.3
282.12061	1.4
283.13474	2.6
285.09467	1.1
289.25198	1.8
293.11731	1.7
295.13306	1.4
296.18408	1.3
299.12708	11.6
305.11707	2.6
307.26242	3.3
311.12744	2.3
319.12820	1.2
323.12665	7.1
325.27322	3.0
347.12637	5.1
355.14001	2.1
359.02707	1.6
365.13940	7.5
383.14749	5.1
388.19717	1.4
390.22293	1.1
408.23920	1.4
429.08975	1.7
451.12967	1.2
460.45447	1.0
469.14856	1.5
683.35730	1.7
684.33514	7.6
685.32574	1.8
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
51.02378	1.1
53.03946	2.3
54.80011	1.0
55.01865	3.9
55.05522	2.3
65.03943	0.9
67.05511	3.8
69.03431	8.3
69.07081	5.1
69.35004	3.7
69.35411	1.9
71.04990	3.6
73.04754	1.1
76.44582	0.9
77.03925	1.4
79.05499	11.5
81.03421	7.9
81.07069	5.5
83.04981	4.2
84.72731	0.9
85.02902	3.4
91.05451	8.8
93.07041	11.1
95.04971	6.5
95.08582	4.6
96.65710	1.0
97.02901	2.7
97.06536	11.1
99.04474	5.3
103.05507	1.9
105.07031	47.2
107.04960	8.0
107.08601	4.8
109.02886	4.1
109.06518	2.8
109.10148	1.8
111.04455	1.4
111.08104	1.2
115.03950	1.2
115.05473	1.9
115.07579	1.0
117.07023	7.1
119.04956	2.8
119.08582	3.2
120.08076	1.1
121.06515	35.8
121.10113	2.0
123.11736	1.5
125.05984	6.2
127.03917	2.9
128.06218	1.4
129.07031	4.1
130.07770	3.4
131.08548	8.4
133.06497	29.0
133.10144	3.4
135.04431	2.1
135.08066	2.5
137.05971	1.5
137.09630	1.0
141.07011	3.4
142.07651	1.2
143.07040	8.8
143.08589	5.1
144.09291	2.3
145.05011	2.4
145.06494	9.9
145.10132	49.9
146.10498	1.0
147.08020	3.0
149.09625	1.4
151.07561	1.7
152.31337	0.9
153.06987	1.4
154.07816	3.6
155.08533	7.6
157.10130	1.7
158.07259	13.1
159.08063	12.1
159.11690	21.8
161.05936	1.2
161.09656	3.9
163.07584	1.2
165.12827	1.0
167.08611	1.0
167.32518	1.0
169.10130	9.1
171.08044	2.6
172.08821	3.4
173.09625	100.0
174.09991	2.4
179.08528	4.7
182.07344	2.3
185.09602	1.4
187.11179	45.3
189.12740	2.2
191.10721	3.0
197.09625	14.4
205.12262	24.9
213.09059	1.0
215.10680	84.0
216.11069	2.1
229.12279	1.8
233.11726	80.4
234.12154	2.4
239.10643	1.3
251.12756	4.3
257.11755	3.0
258.38232	1.0
275.12888	1.4
299.12952	1.2
319.11783	3.7
323.12836	1.3
337.12814	14.5
355.13901	4.1
359.14828	1.3
377.15915	1.3
388.21078	1.3
481.17020	9.9
499.18060	18.9
640.70093	1.1
652.24091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
54.52629	0.6
55.01870	4.1
55.05511	3.8
57.03426	1.3
58.40160	0.6
61.26615	0.6
67.05499	4.1
69.03114	0.8
69.03438	8.5
69.07066	8.4
69.24610	3.7
71.04987	3.6
76.25806	0.6
77.03959	1.2
79.05499	12.2
79.54317	0.6
81.03412	5.3
81.07056	8.8
83.04987	4.1
85.02908	4.1
85.06530	0.9
87.00827	1.0
91.05468	7.0
93.07051	9.3
93.77937	0.7
94.64957	0.7
95.04976	5.5
95.08604	3.9
97.02894	1.6
97.06539	10.5
98.23432	1.3
99.04436	4.4
103.05455	2.1
105.04531	1.5
105.07030	40.5
107.04964	6.4
107.08603	5.7
109.02893	2.1
109.06515	2.4
109.10158	3.7
115.03899	0.8
115.05463	1.6
117.07019	8.2
119.04895	0.9
119.08588	6.3
121.06506	31.3
121.10131	2.5
122.06837	0.7
123.11695	2.1
125.05981	5.6
127.03904	2.1
128.06219	1.5
129.06958	3.5
130.07817	3.3
131.04918	1.0
131.08565	9.7
133.06497	23.8
133.10133	5.0
135.04398	1.6
135.08055	1.6
135.11694	1.4
137.05983	1.4
137.09584	0.7
137.13287	1.0
139.07549	0.7
141.07027	3.1
143.07056	6.0
143.08556	5.0
144.05705	0.7
144.09370	2.8
145.04936	1.2
145.06494	10.6
145.10127	53.3
146.07249	1.2
146.10414	0.8
147.08017	1.9
147.11671	2.5
149.06000	0.7
149.13248	1.7
153.07004	1.0
153.12682	1.0
154.07788	3.2
155.08546	8.5
157.10101	1.2
158.07271	18.8
159.04373	0.7
159.08064	13.2
159.11693	17.4
161.06010	0.6
161.09581	2.9
161.13286	0.9
163.11195	0.9
169.10139	6.5
171.08051	1.4
171.11678	1.2
172.08836	5.7
173.09622	100.0
174.09978	3.1
179.08563	4.1
181.06447	0.7
182.07277	2.3
187.11185	35.5
188.11476	0.8
189.09016	1.0
189.12723	1.3
191.10693	2.1
197.09628	11.0
203.10815	0.6
203.17912	3.3
205.10281	1.2
205.12238	21.6
206.12555	1.0
215.10675	70.8
216.11057	2.4
221.19023	2.1
233.11731	67.3
234.12085	2.3
245.18942	0.7
251.12859	2.2
277.48669	0.6
289.25378	3.0
296.18576	1.0
307.26175	1.2
319.11786	3.1
319.22525	0.7
337.12805	17.2
337.23990	0.8
338.13229	0.8
355.13895	10.9
388.21005	0.8
481.16754	1.6
499.18039	3.2
684.30963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96547	0.4
52.51510	0.4
53.03944	0.9
55.01868	9.4
57.03167	0.3
57.03433	8.9
61.02923	3.6
61.07383	0.4
69.03425	35.2
71.01355	0.9
71.04984	2.0
73.02913	5.4
81.03410	5.0
83.01343	0.6
85.02901	100.0
86.03226	0.9
87.04478	1.0
95.04961	0.7
97.02888	36.3
98.03216	0.6
99.04456	11.7
101.02390	6.5
103.03932	0.7
103.41515	0.5
109.02879	6.6
111.04444	0.6
114.05529	0.8
115.03909	4.5
117.05515	0.5
123.04422	1.3
127.03909	84.7
128.04276	0.8
132.06529	0.9
135.04523	0.6
139.03893	0.8
145.04951	78.7
146.05261	0.7
151.03908	1.0
160.05983	0.6
163.06010	29.4
165.05447	0.6
178.07108	1.8
181.04956	1.2
185.52170	0.5
193.04916	0.7
199.06042	1.2
211.05969	1.1
217.07082	0.9
223.06050	3.9
229.07062	1.8
235.05943	0.9
241.07053	1.7
247.08073	2.2
253.07053	2.6
259.08142	4.4
271.08093	5.7
289.05911	0.5
289.09155	13.9
307.10229	1.3
325.11279	18.0
326.11642	0.6
388.76840	0.4
573.37567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01868	8.9
55.41642	0.4
57.03435	8.9
60.45262	0.4
61.02924	3.6
69.03429	36.3
71.01361	1.0
71.04990	2.1
71.52129	0.6
73.02921	5.4
81.03419	5.7
83.01367	0.6
85.02905	100.0
86.03256	0.6
87.04441	0.6
91.04003	0.5
95.04982	0.7
97.02894	35.9
99.04455	10.9
101.02389	4.9
103.03915	0.8
109.02890	6.5
115.03918	3.7
123.04407	1.1
127.03912	81.5
128.04251	0.7
133.04907	0.9
135.04408	0.7
139.03947	0.9
145.04956	78.5
146.05290	0.9
151.03908	1.1
163.06015	26.5
181.05086	0.8
193.04988	1.4
199.06003	1.4
211.06012	0.9
217.07097	0.9
223.05977	3.3
229.07036	1.5
233.02316	0.6
241.07076	1.2
247.08063	2.0
253.07071	3.1
259.08099	3.7
271.08154	6.4
289.09161	14.1
307.10233	1.4
325.11285	18.6
325.15112	1.2
392.34781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
52.44636	0.2
53.03945	1.4
55.01870	1.9
57.03433	1.7
59.05005	0.2
59.49830	0.2
61.02924	1.8
68.99785	0.8
69.03429	8.7
70.05453	0.5
70.05806	0.3
71.04990	0.9
73.02912	1.7
73.04762	0.3
77.03902	0.4
79.05495	2.8
81.03416	7.1
81.07057	0.2
83.01340	0.2
85.02904	27.2
86.03233	0.4
87.00829	7.7
87.04482	0.3
91.03945	0.7
91.05829	0.5
93.07027	0.2
95.04963	1.2
97.02892	9.2
98.06077	0.3
98.23330	0.2
99.04457	3.2
103.05470	2.3
105.01869	10.8
105.07027	100.0
106.07362	2.2
108.04459	0.3
109.02876	7.6
115.03918	0.4
117.01838	0.8
121.06532	0.2
127.03911	18.9
128.04282	0.4
129.01834	0.8
135.08099	0.4
136.25249	0.2
137.05885	0.3
145.04959	11.5
146.09683	0.2
147.02861	1.1
151.07547	0.4
153.09091	1.4
159.02887	5.2
161.06036	0.3
162.07579	0.3
163.06041	0.2
163.07463	0.3
165.09142	1.0
167.05554	0.2
177.03929	0.5
179.10660	1.3
180.08701	1.1
189.03955	0.6
213.03929	1.3
222.10342	0.2
225.04347	0.2
231.04988	6.8
240.11604	0.2
249.06084	2.1
255.13736	1.0
257.15353	76.1
258.15717	3.8
266.08719	0.3
318.17007	0.4
329.45840	0.2
427.29916	0.2
505.20673	1.0
670.37915	0.2
684.23480	0.8
684.34332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30460	0.6
53.03948	1.7
55.01871	2.9
55.89588	0.7
57.03192	0.8
57.03435	4.1
61.02930	6.2
69.03063	1.1
69.03432	21.1
69.87390	1.8
71.01345	1.1
71.04963	1.9
73.02614	0.5
73.02928	6.6
76.63347	0.6
77.03907	0.8
79.05482	3.9
81.02964	0.9
81.03425	11.9
83.01363	0.8
85.02908	62.9
87.04472	13.7
91.03973	3.4
91.05432	4.5
95.04967	1.5
95.08609	1.1
97.02897	20.6
98.23364	0.8
99.04462	4.5
101.02400	0.8
103.03946	17.8
103.05412	2.9
105.07031	100.0
106.07372	1.4
109.02880	8.6
115.03936	40.7
116.04282	0.8
117.07025	0.9
121.06520	1.2
123.08091	1.7
125.06039	0.6
127.03920	29.0
129.05498	1.4
129.07013	1.3
133.04982	12.4
133.06503	1.4
137.05972	7.4
145.04961	29.6
151.07550	24.4
157.04980	10.5
161.05995	0.9
163.03934	0.7
163.06029	4.9
174.06787	1.9
174.74510	0.5
175.06032	9.6
175.07556	3.4
199.06013	1.0
217.07056	9.3
223.11255	2.9
229.12234	48.0
230.12685	1.2
235.11205	1.1
241.07068	1.9
249.12813	1.6
251.10544	0.6
253.12230	14.2
259.08112	7.9
260.08563	0.7
263.10654	1.0
265.12296	4.4
271.13284	13.5
275.10583	1.0
277.09219	8.4
277.12079	0.8
289.09286	0.9
291.13815	2.8
295.13287	30.7
296.13760	1.4
301.12259	0.8
319.09558	1.4
319.13290	24.6
320.13599	1.0
325.11279	0.9
337.14334	19.5
338.14532	0.9
355.15411	7.6
443.35431	0.7
443.61102	0.6
451.17422	1.9
469.18625	2.3
482.94720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.51654	0.3
55.01862	0.4
66.99479	0.4
69.03430	0.4
73.04755	0.6
77.03921	0.5
83.64629	0.3
85.02904	1.0
91.05415	3.3
93.07047	6.2
95.04967	2.9
97.02891	0.5
103.04845	0.5
103.05471	5.0
105.04530	1.0
107.04958	1.3
121.06501	100.0
122.06837	1.9
145.04924	0.3
149.02327	1.0
157.60088	0.3
167.05579	0.4
184.78268	0.3
205.08635	1.6
239.09550	0.6
245.97144	0.3
325.14359	0.8
355.06723	0.5
359.02701	0.5
367.14047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03949	2.1
55.01874	2.0
55.05507	8.1
57.03426	3.7
65.03939	2.1
65.96197	0.6
67.05504	26.3
67.97137	0.6
69.03403	0.8
69.07067	5.6
71.04979	2.2
72.93712	0.6
73.04762	1.3
73.06559	0.7
75.03889	0.5
77.03925	0.6
79.05492	42.9
81.03425	4.6
81.07056	23.8
83.04981	7.0
83.08624	3.4
85.02917	1.2
85.06541	1.3
87.06640	0.6
91.05463	33.1
92.05770	0.6
93.07042	42.3
95.04962	12.3
95.08600	13.3
97.02888	1.0
97.06547	3.3
97.10152	1.1
99.08076	0.7
105.04514	2.1
105.07029	25.7
105.07739	1.5
107.04932	3.9
107.08589	10.1
109.06507	2.7
109.10168	2.9
111.08118	1.1
115.05463	1.3
115.78236	0.6
117.07023	5.5
119.08573	14.8
121.06483	2.2
121.10119	3.4
123.08052	3.5
127.07534	1.1
128.06252	1.5
129.06999	10.5
131.08601	1.9
133.10121	6.2
135.08076	0.7
135.11694	1.9
143.08562	7.1
145.10124	6.6
147.08015	1.6
147.11679	23.6
155.08611	0.7
156.09460	0.8
159.11636	0.8
161.09648	2.7
161.13274	7.2
163.11215	1.1
171.11679	16.0
171.13039	1.3
179.14317	1.5
189.12708	7.5
207.13789	16.5
225.04259	1.2
225.14912	2.0
255.16042	0.6
263.16452	1.4
281.17471	45.6
282.17941	1.3
302.75055	0.6
355.06979	0.8
359.02744	0.8
429.08926	1.8
469.29471	2.6
487.30542	100.0
488.30743	5.4
543.36713	1.2
684.44049	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	684.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
55.05510	1.6
57.03423	1.2
57.07091	0.8
59.05001	2.0
61.02915	1.1
64.59436	0.7
67.05512	9.1
69.03431	1.6
69.07067	2.9
71.04990	1.1
73.04757	1.2
79.05501	3.5
80.01360	2.1
81.03435	1.7
81.07061	4.1
83.05021	0.6
83.08617	2.2
85.02454	0.6
85.02915	2.9
87.04459	3.2
91.05797	2.6
93.07059	2.0
95.08623	2.6
97.02911	1.1
97.06522	1.2
99.04434	1.6
105.07026	0.7
106.06573	3.3
107.08603	1.2
109.10155	7.4
111.08077	0.7
116.04985	1.5
119.08617	1.0
121.10171	1.1
124.07682	0.6
127.03916	0.8
133.10155	0.9
134.06021	24.2
135.11679	0.8
136.07578	4.4
137.08374	2.2
140.07060	0.9
148.07594	0.8
149.09695	0.6
150.09145	1.6
152.07085	8.7
162.09096	1.3
166.08626	1.6
173.11772	1.9
176.07127	1.5
176.10745	2.6
177.11369	0.8
178.08627	9.2
179.09389	3.6
180.06564	4.8
180.10191	4.9
188.10719	0.8
189.11411	0.8
190.12242	1.4
194.11794	1.1
202.12306	2.6
204.10120	0.8
204.13878	1.2
206.08136	16.5
216.13855	0.7
218.11853	1.1
224.09203	4.4
229.14330	7.6
230.11681	1.0
341.45975	0.8
345.25888	0.7
355.06970	0.8
356.25867	1.0
359.02859	1.4
383.24353	5.7
396.32877	1.5
418.29413	1.6
424.32071	3.0
429.08865	1.2
430.29767	1.0
432.31213	3.7
434.29117	2.9
442.37305	1.8
486.35803	61.9
487.36047	3.9
502.34912	0.8
504.29419	1.3
504.36823	23.4
505.37427	1.9
522.37921	100.0
523.38129	5.5
666.31671	0.9
684.32629	8.1
684.42981	16.1
685.33160	3.6
685.44574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	3.3
69.07104	0.8
77.18641	0.5
79.05513	1.4
81.07063	2.3
85.02933	0.6
91.05400	0.6
93.07068	1.6
95.08634	1.5
99.68233	0.5
106.68548	0.6
107.08613	0.6
127.03934	0.7
188.38416	0.5
308.84171	0.5
333.20325	5.0
335.22083	0.6
375.25098	0.7
389.23032	1.7
685.46484	100.0
686.46820	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	686.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.52876	1.0
55.01865	2.9
55.05513	1.1
57.03417	1.0
59.43824	0.9
65.91862	1.0
67.05529	5.8
67.96090	1.0
69.03426	6.1
69.07058	1.2
69.29955	3.4
71.04998	1.1
75.83421	0.9
79.05498	5.5
80.05025	2.0
81.03431	8.0
81.07063	2.1
82.06561	2.0
85.02900	8.2
91.05504	5.0
92.04977	1.1
93.05791	2.9
93.07056	10.9
94.06580	12.6
95.04977	6.0
95.07358	10.4
95.08611	2.9
96.08137	26.5
97.02862	4.8
97.06561	2.2
99.04435	1.9
99.08067	1.6
103.05476	3.4
105.04469	1.4
105.07036	1.4
106.06569	2.8
107.07342	3.9
107.08576	2.4
107.64988	1.0
108.08122	32.8
109.02870	5.6
109.08878	1.2
109.10151	3.1
110.09687	43.0
110.10444	2.2
115.03905	2.2
115.05472	1.0
117.05823	1.0
120.08105	31.1
121.06527	2.1
122.06015	3.4
122.09673	10.7
123.06863	1.5
124.07592	3.4
126.09144	2.9
127.03912	3.4
132.08047	1.1
133.10136	2.7
135.11673	2.4
136.06567	2.2
136.07579	31.1
137.05963	3.0
137.08508	1.0
137.09616	2.3
138.05513	12.8
138.09145	56.9
138.12752	1.6
145.04984	1.2
146.06023	19.3
147.04434	1.0
147.06747	1.2
148.07581	17.9
149.05980	1.3
150.09145	18.0
151.03925	1.7
152.07079	2.1
153.12700	1.6
154.08629	13.9
155.10739	1.2
156.10933	1.1
162.05473	1.6
164.07127	1.5
166.05009	8.8
166.08643	100.0
168.10204	2.5
174.05522	5.2
174.09117	1.2
184.11223	1.0
186.09276	1.0
192.06586	1.4
193.15883	2.9
194.08122	2.5
194.16167	1.2
196.09663	1.2
197.10843	1.2
199.08644	2.2
201.43068	1.0
206.08116	3.9
209.10681	1.5
210.09258	2.0
211.08640	4.8
211.12378	1.1
211.16937	5.0
212.09558	1.6
212.17255	3.3
213.10190	2.7
216.10204	2.6
218.08144	1.3
223.08635	2.9
225.10194	10.6
226.10986	1.5
227.08246	5.2
235.08705	2.1
236.09453	1.8
237.10229	20.8
238.08786	1.6
238.10928	3.7
239.08138	10.6
239.11771	7.3
241.09796	9.3
246.11050	2.3
247.08624	1.3
249.10175	2.2
251.08087	7.9
252.09052	2.4
253.09715	24.4
254.08118	2.8
254.10434	2.1
255.11288	6.7
265.09729	34.1
266.08029	2.2
266.10504	4.3
267.07864	7.6
267.11224	11.4
268.08478	2.2
269.09256	3.8
269.13052	2.6
271.10971	1.7
271.14584	1.0
275.07855	1.0
277.09518	3.5
279.07617	5.3
280.22723	28.0
281.09229	28.8
281.23129	7.9
283.10782	15.7
285.12262	1.4
287.10242	3.5
293.09183	25.3
294.09995	2.3
295.07446	1.6
295.10776	24.7
297.08560	1.3
299.10406	5.5
299.13525	1.3
301.11755	3.6
309.08673	7.0
309.12137	1.5
311.10236	15.8
313.11783	7.4
321.08670	15.4
322.07007	2.1
325.11859	4.0
327.09723	13.6
327.13354	2.5
331.13162	2.0
339.09796	21.9
341.11237	7.1
343.12872	1.9
345.13599	1.3
353.11304	11.5
354.09561	1.4
355.13467	2.9
358.15448	1.2
359.12311	28.1
359.16058	3.7
371.12387	18.8
372.13126	1.9
385.14438	1.1
388.16809	2.1
400.16541	1.6
401.13098	1.3
406.17108	1.3
407.12277	1.4
409.14148	2.0
413.13354	2.3
415.14786	1.6
418.17642	4.3
425.13345	1.9
427.14664	2.0
428.16113	2.1
435.11533	1.5
437.13434	2.4
439.15021	1.6
445.16208	1.4
446.17007	7.4
448.18634	3.7
453.13214	4.9
455.14560	2.1
464.18234	15.5
465.13199	5.7
467.14297	2.7
471.13995	1.4
473.15619	2.0
474.16614	6.2
478.19940	1.8
481.18091	2.7
483.13647	6.0
485.15549	26.8
486.14377	1.2
488.17395	1.3
492.17679	59.8
493.17749	4.2
497.15494	1.4
503.16556	8.6
506.19104	8.7
515.16589	3.7
524.20294	27.9
546.22430	1.2
564.23285	1.9
566.21149	3.0
572.19678	2.3
574.21637	1.3
582.24628	2.0
586.21448	1.7
590.21130	2.6
592.22711	7.5
600.19586	4.4
604.22662	3.9
605.21246	1.3
608.21741	3.0
610.23834	8.4
618.20239	3.2
622.23779	3.2
632.22559	10.4
633.20264	1.1
634.00714	1.2
636.21814	19.7
637.21265	2.2
640.25146	4.7
650.23462	8.5
651.21948	2.2
654.12592	1.4
654.22955	17.3
655.22992	1.3
668.24487	45.3
669.24091	3.0
686.24835	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	686.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05764	0.4
55.01867	1.2
57.03429	1.7
61.02919	1.4
67.05506	0.7
67.90609	0.5
68.99781	1.8
69.03434	4.7
70.04382	1.1
70.06564	0.5
70.10863	0.5
71.01349	0.6
71.05025	0.6
73.02905	1.3
77.03925	0.7
79.05498	5.1
81.03434	3.8
83.01372	0.5
85.02901	12.8
87.00840	4.9
91.05465	3.3
93.07051	1.3
95.04977	1.2
95.08601	3.1
97.02888	4.3
99.04457	1.6
103.05475	3.6
105.01881	3.4
105.07027	22.0
106.07361	0.7
107.04954	0.9
107.08576	0.7
108.05753	0.6
109.02863	3.4
109.06535	1.8
117.07016	0.7
119.08587	0.8
120.05692	2.2
121.05631	0.6
121.06503	11.8
121.07326	0.9
123.08071	5.9
127.03912	6.7
129.01871	2.6
133.06497	4.7
135.08049	97.7
136.08409	2.6
137.05963	2.1
145.04955	2.5
145.06482	1.1
147.02898	1.5
147.08038	3.6
151.07536	100.0
152.07909	2.5
159.02859	1.9
161.05981	0.8
161.09552	0.6
161.70158	0.4
163.03870	0.5
175.07535	13.1
176.07907	0.5
177.09012	0.4
187.07559	1.1
188.08353	1.0
189.03960	0.7
189.09093	1.3
199.07437	0.8
199.72568	0.5
201.09161	0.6
204.79625	0.5
209.09619	1.0
213.09276	0.9
217.08595	3.8
220.13307	0.5
227.10669	6.2
228.07903	0.5
231.05019	1.7
241.08551	1.5
248.12508	0.4
249.98174	0.5
253.12210	2.0
255.13840	0.5
259.13281	69.8
260.13611	2.9
265.12329	0.8
281.11676	0.7
283.13269	31.0
284.13620	1.3
287.97449	0.5
295.13184	1.9
301.14398	2.5
307.13428	0.8
321.14871	0.9
325.14328	31.0
326.14627	2.5
331.13400	0.6
349.14352	14.5
350.14609	1.1
367.15378	15.7
368.15707	1.0
385.16257	0.6
453.15338	1.7
471.16486	8.8
472.16586	0.7
686.28070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43812	0.7
53.03946	5.8
55.01872	7.7
57.03434	4.7
60.29382	0.6
61.02926	6.6
67.05501	1.8
68.99806	3.2
69.03429	28.8
69.23170	3.4
71.01331	0.6
71.04994	5.0
73.02915	5.8
77.03921	1.0
79.05496	3.2
81.03419	24.9
81.07060	1.4
83.04949	1.4
85.02905	71.7
86.03214	1.1
87.00830	29.8
87.04465	1.4
91.03947	1.9
91.05473	8.0
93.07037	8.9
95.04959	4.1
95.08591	1.3
95.09583	0.6
97.02892	28.0
99.04449	10.0
100.91790	0.7
103.03960	1.2
103.05463	8.7
105.01867	31.6
105.04471	1.0
105.07027	11.1
107.04952	21.1
107.08602	1.6
109.02879	25.7
109.06506	0.7
111.04431	1.2
115.03931	1.7
115.05479	1.1
117.01851	2.6
117.06990	1.7
119.04949	4.6
119.08547	1.3
120.05714	1.4
120.40195	0.8
121.02895	1.0
121.06505	82.8
122.06810	1.6
123.04375	1.0
124.86048	0.7
125.02381	0.8
125.05965	0.7
127.03915	47.4
128.04237	0.9
129.01846	4.0
131.04910	3.6
133.06468	4.9
135.08046	4.4
137.05963	1.2
138.06793	0.9
139.07530	1.9
145.04956	19.2
145.06439	4.8
145.10040	0.7
147.02885	2.8
147.08058	1.5
149.06041	1.3
149.09610	1.3
150.06747	3.8
151.07541	12.3
152.08263	2.5
153.09108	2.7
159.02879	10.1
159.08025	0.8
163.07555	1.3
165.09117	47.1
166.09471	1.4
173.05917	0.8
173.09584	1.2
174.06740	1.0
175.07541	4.9
177.09125	3.4
179.10674	1.5
188.08342	1.1
189.03983	1.3
189.09134	5.9
201.09142	1.6
203.10655	1.8
205.08644	0.9
207.10245	2.0
211.07591	0.7
211.11192	1.2
213.03873	3.3
215.10805	1.8
222.93782	0.7
224.08350	1.4
227.10674	2.0
231.04980	11.4
231.09953	0.8
233.11678	0.9
237.09163	1.0
240.07951	0.8
241.08563	1.1
241.12303	0.7
242.09372	1.1
243.10094	1.7
247.09688	1.1
249.06166	3.3
253.06824	1.0
255.10196	3.0
256.10913	1.1
257.11847	1.5
259.13297	100.0
260.13568	4.1
267.10123	8.4
268.10858	2.1
269.11743	7.2
271.13275	34.2
272.13550	1.5
275.10519	0.7
278.09192	1.0
279.10181	1.7
281.11682	2.2
283.13290	10.6
285.11447	3.3
291.10107	1.2
293.11667	1.9
297.14529	1.7
301.14328	39.3
302.14685	2.4
307.13266	1.5
310.12112	0.6
313.14487	1.1
321.14859	2.6
325.14331	22.8
326.14642	0.9
331.13358	1.6
337.14490	1.7
339.15881	1.4
349.14349	41.2
350.14636	3.3
357.08234	0.7
367.15411	41.1
368.15720	1.8
385.16406	2.6
453.15295	9.4
454.15802	0.8
471.16821	3.8
489.17526	1.6
686.35547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17492	0.2
51.02369	0.3
53.03949	2.1
54.59597	0.2
55.01868	2.4
55.05512	0.5
57.03445	2.1
61.02932	2.1
67.05501	0.4
68.25716	0.2
68.99794	0.6
69.03431	11.2
69.07047	0.4
69.16303	0.6
69.16724	0.8
70.03780	0.2
71.05005	1.5
73.02917	2.2
77.03941	0.5
79.05502	1.9
81.03420	8.9
81.07048	0.7
81.17066	0.2
82.03740	0.2
85.02908	28.7
86.03243	0.3
87.00834	13.4
87.04459	1.1
91.03957	0.4
91.05465	2.6
93.07052	5.1
95.04974	1.4
95.08613	0.5
97.02897	12.6
98.23423	0.5
99.04461	4.7
103.03928	0.2
103.05470	4.5
105.01868	16.2
105.04530	0.5
105.07035	6.6
107.04948	3.9
107.08595	0.5
109.02879	10.4
109.10165	0.4
111.04457	0.3
115.03962	1.4
117.01846	1.1
117.07063	0.3
120.05750	1.3
121.06508	39.5
122.06863	0.7
127.03918	18.9
129.01837	0.9
133.04961	0.9
133.06470	0.5
135.04428	0.3
135.08057	3.6
137.05977	0.3
138.06764	0.2
139.07538	1.1
145.04959	7.0
145.10139	0.4
147.02969	0.4
149.09576	0.3
150.06746	2.4
151.07555	2.0
152.08278	1.2
153.09096	1.2
159.02892	3.5
163.11227	0.4
165.09119	38.2
166.09425	1.0
166.47670	0.2
168.84885	0.2
171.02904	0.2
171.11594	0.2
175.11165	0.2
178.01125	0.3
189.03970	0.7
213.03958	2.1
217.12257	0.2
227.12662	0.3
231.04999	5.0
231.07275	0.3
249.06087	2.1
253.07079	0.4
259.13290	100.0
260.11002	0.3
260.13635	4.1
271.08139	0.2
271.13361	1.1
301.14243	1.2
325.14255	0.7
349.14371	0.4
367.15268	0.7
375.08621	0.3
686.28613	0.4
687.28973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.9
55.01872	8.9
55.05520	2.7
55.74093	1.3
57.03436	6.8
59.12255	1.4
61.02927	8.0
67.05527	2.2
68.99789	4.4
69.03065	2.3
69.03431	41.4
69.07064	4.7
71.04983	6.9
73.02917	8.5
73.04749	1.4
79.05485	5.2
81.02959	2.1
81.03419	30.5
81.07053	4.3
83.04994	2.0
83.08618	1.4
84.88805	1.1
85.02908	100.0
85.27641	1.2
87.00837	39.1
87.04459	2.6
91.03961	3.1
91.05482	5.9
93.07048	11.7
95.04968	5.9
95.08601	4.1
97.02894	45.3
97.06514	2.4
99.04452	14.9
103.03935	1.8
103.05470	7.4
105.01870	56.7
105.04479	1.4
105.07048	13.7
107.04962	10.9
107.08578	4.8
109.02880	37.6
109.10137	3.0
110.06024	1.5
111.04449	1.7
111.08089	2.4
115.03938	3.5
117.01860	4.5
119.04982	2.5
119.08578	3.6
121.06506	69.6
121.10140	1.6
122.06850	4.5
122.20801	1.4
123.04426	1.6
123.11736	1.7
127.03924	69.6
129.01849	5.0
131.04958	1.7
133.04959	1.9
133.06493	2.1
133.10135	2.0
135.08051	5.5
135.11742	1.5
139.03874	1.5
139.07544	2.0
145.04959	32.6
145.06535	1.8
145.10153	2.6
147.02875	2.8
147.08067	1.8
147.11682	2.3
148.60414	1.3
150.06723	3.6
151.07541	6.7
153.12697	1.6
159.02890	15.5
163.07486	1.7
165.09116	36.4
175.07535	4.5
177.09099	1.6
188.08012	1.4
189.03891	3.4
189.09077	2.0
203.06947	1.7
206.67674	1.3
213.03920	7.4
222.14827	2.4
231.05009	21.7
242.07764	1.3
243.10233	2.3
249.06076	8.1
253.07065	2.0
255.10083	3.5
259.13300	95.8
260.13577	5.1
267.10391	1.5
271.13239	12.7
283.13199	4.9
285.11108	1.8
301.14313	24.9
315.07071	1.8
319.64526	1.4
325.14349	17.1
337.14243	4.4
349.14349	19.1
367.15375	16.8
385.16364	5.4
388.21103	5.0
388.71246	2.2
389.21167	1.6
403.86087	1.4
453.15283	2.4
642.22632	2.4
686.19244	1.7
686.32428	7.9
687.29889	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	686.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01873	2.8
55.05516	9.8
57.03436	5.9
57.07087	1.4
59.05019	1.3
61.02925	0.9
65.03915	0.9
67.05502	23.8
69.03416	1.1
69.07067	4.7
69.37904	3.5
71.04984	2.2
73.06548	0.9
73.78149	0.8
79.05492	35.7
81.03420	8.7
81.07058	21.9
81.07463	0.6
82.41312	0.8
83.01338	2.4
83.04974	9.7
83.08620	6.1
85.02898	2.9
85.06567	1.5
91.05467	24.8
93.07041	38.9
95.04969	12.5
95.08602	12.6
97.02883	1.5
97.06522	3.2
97.10149	2.6
99.04450	1.8
103.05476	1.9
105.04529	1.9
105.07031	20.0
107.04963	6.1
107.08584	12.5
109.06503	5.2
109.10145	2.7
111.04454	1.7
111.08058	1.2
117.07019	6.3
119.08576	13.0
121.06483	2.0
121.10139	3.1
123.08051	6.3
125.05992	1.1
127.07601	1.4
129.07010	8.1
131.04936	3.1
131.08548	2.1
133.06532	1.1
133.10112	6.2
135.08031	2.0
135.11690	5.6
143.08543	3.9
145.10136	12.1
147.04430	2.6
147.08073	2.0
147.11678	17.5
155.08545	0.8
161.09671	1.6
161.13226	5.2
163.07559	1.6
163.11195	11.3
171.11679	11.0
173.09621	1.6
181.12260	1.2
189.12732	3.9
191.10776	1.1
207.13786	14.1
209.11725	2.2
265.14276	1.4
279.72855	0.9
281.17474	40.7
283.15408	33.2
283.18622	1.4
314.41235	0.9
357.06680	1.3
414.50388	1.2
471.27365	7.4
489.28461	100.0
490.28531	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	686.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41037	2.6
55.05524	12.5
57.03444	5.5
57.07077	6.4
61.02940	8.5
65.05784	2.8
67.05504	21.5
69.03432	15.7
69.07067	20.3
71.05005	3.2
71.08640	6.8
73.02958	3.5
73.04761	5.0
74.04112	2.7
79.05497	16.6
81.03432	15.1
81.07056	30.1
81.07433	2.5
83.04993	5.3
83.08633	12.9
85.02910	44.8
85.06556	4.1
86.06055	3.6
87.04476	3.1
91.03966	5.1
91.05443	17.1
92.05818	4.5
93.07059	18.5
95.05000	9.3
95.08617	34.3
97.02914	12.2
97.06569	4.6
97.10183	7.5
99.04510	4.5
105.07037	25.2
107.05006	4.1
107.08586	18.6
109.02923	5.4
109.06526	15.7
109.10172	23.7
111.08070	2.9
111.11768	4.4
115.03937	4.3
119.08597	16.0
121.06543	7.5
121.10194	12.6
123.08122	3.7
123.11739	11.3
125.06026	4.4
125.09640	4.1
127.03977	13.3
127.07596	3.5
129.06993	3.3
131.08617	14.5
133.05049	3.5
133.10139	17.7
135.04402	20.5
135.05324	2.6
135.08096	6.1
135.11694	17.0
137.05977	15.1
137.13322	7.2
139.14893	4.9
143.08577	4.1
145.05026	21.4
145.06479	2.6
145.10167	13.6
147.08069	5.3
147.11743	11.3
149.09666	4.6
149.13266	5.0
151.03873	2.8
151.07588	4.7
153.05496	4.7
155.08717	3.5
157.10164	6.1
159.08090	13.1
159.11775	7.8
161.09685	3.6
161.13374	8.9
163.06032	7.7
163.14909	6.8
165.09200	4.3
173.09595	5.0
173.13359	3.1
175.14868	3.9
177.09105	36.1
185.13339	4.9
187.07643	3.8
187.11317	3.9
189.16434	5.6
191.10616	4.1
194.11876	4.8
199.14771	3.3
205.12297	5.7
207.10083	4.7
215.10748	3.9
233.11836	5.7
245.22800	10.5
246.09587	2.8
251.72810	2.7
269.15509	8.1
297.14792	3.3
299.23773	5.0
311.86877	2.8
313.14438	6.7
315.16028	3.9
317.08609	7.2
317.24741	43.0
388.21292	3.8
392.24725	3.6
394.15033	3.1
399.29013	27.6
400.29324	2.9
414.18225	4.0
425.30811	5.5
427.28409	73.9
429.09021	3.1
435.29428	3.2
443.32016	9.9
453.30203	16.2
455.31912	3.3
471.31155	11.9
516.25677	4.9
517.25873	8.1
534.36053	2.9
553.31958	3.5
571.32843	2.9
615.35938	3.9
686.20471	5.5
686.34711	100.0
687.35406	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53772	0.6
55.05509	4.6
57.03445	4.8
57.07079	35.7
59.94284	0.5
61.02927	14.2
65.47374	0.6
67.05167	0.8
67.05506	12.7
69.03429	1.9
69.07068	7.4
69.10783	3.8
71.08636	33.6
73.02923	6.0
75.04481	1.5
76.14362	0.6
77.99706	0.6
79.05477	1.7
81.03407	2.3
81.07062	18.1
83.08620	12.7
85.02402	1.1
85.02906	18.6
85.06535	1.2
85.09692	1.2
85.10181	17.9
89.06039	1.0
91.03960	13.9
93.07034	1.3
95.08612	25.9
97.02893	8.6
97.10171	8.7
98.22704	1.3
99.04462	0.8
99.11737	1.2
105.07040	0.6
109.10159	13.2
111.11729	3.3
121.10156	0.9
123.11702	5.2
123.43044	0.6
127.03941	6.3
135.11728	0.7
137.13249	2.4
145.04973	9.1
149.44739	0.6
151.14798	1.2
163.06015	14.5
169.93829	0.7
184.07347	2.7
193.05054	0.7
204.70992	0.5
210.88474	0.6
220.03349	0.6
229.14175	0.9
235.24199	1.7
253.25278	22.0
254.25656	0.8
267.15994	1.0
267.55258	0.8
271.23846	0.6
271.26361	2.8
312.28818	0.8
313.27185	1.0
314.27774	1.2
327.28934	100.0
328.29123	3.0
335.25870	1.0
345.29999	47.5
346.30270	1.9
380.95129	0.6
506.38931	1.2
518.67175	0.6
580.53119	0.6
686.43597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81050	2.1
55.05498	11.8
57.03437	9.8
60.55029	2.0
61.02913	4.6
65.03941	2.8
67.05504	100.0
69.07060	7.5
71.04980	4.5
71.44549	2.6
74.47272	2.2
79.05482	20.2
81.07054	39.6
83.08617	7.8
85.02898	3.9
85.06506	2.5
88.88415	2.5
90.69048	2.1
91.03960	2.5
91.05495	9.6
93.07041	23.2
93.11533	2.1
95.08604	30.1
97.02883	2.2
101.21521	2.3
105.07030	7.4
107.08580	13.0
109.10155	79.6
111.08112	3.6
119.08582	8.7
121.10146	10.2
123.11694	2.8
124.87491	2.6
131.08543	6.3
133.10112	5.5
135.11665	10.1
137.09575	4.0
145.10149	5.4
146.98361	2.2
147.11694	3.4
149.13261	4.9
152.99316	2.6
155.10690	3.7
159.11694	4.5
163.07704	3.3
173.11757	21.0
173.13225	5.4
229.14343	86.9
243.21121	4.3
261.22131	14.7
302.37234	2.3
317.24628	3.6
335.25787	82.3
336.26300	3.8
489.35782	66.7
490.35852	2.7
507.36899	5.7
646.94531	2.5
657.11053	2.8
678.38013	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	686.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94548	2.6
55.05510	9.8
57.03436	9.1
57.37278	3.4
58.60296	3.4
61.02920	4.2
61.97092	3.0
66.71701	3.1
67.05156	6.2
67.05505	80.4
69.07069	7.3
71.04961	3.1
79.05486	16.4
81.07063	30.0
83.08625	7.5
84.93913	3.2
85.02924	4.6
91.05501	10.6
93.07041	20.3
95.08610	19.2
97.02876	3.3
107.08598	11.9
109.10158	66.8
110.11752	3.2
111.08076	3.9
119.08603	14.1
121.10126	7.2
131.08607	5.8
133.10143	4.3
135.11690	3.7
137.09651	3.8
142.67235	2.8
149.13235	4.9
155.10677	4.4
173.11755	18.9
207.22720	3.0
227.12791	6.7
228.86903	3.2
229.07587	2.9
229.14340	100.0
243.21124	4.3
261.22122	11.4
266.01920	3.4
300.12222	3.2
310.42590	3.4
318.38235	3.1
335.25793	70.6
489.35791	41.2
641.91962	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	687.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86589	0.4
52.10045	0.4
65.95701	0.4
69.20171	2.4
77.53703	0.4
80.79951	0.5
81.03417	0.5
81.37276	0.4
84.08177	0.6
86.09753	0.4
105.07016	0.4
109.02917	0.4
112.35257	0.4
128.00783	0.5
129.10237	0.5
146.06009	1.2
148.07677	0.5
151.03900	0.7
167.07039	1.0
184.68694	0.4
185.04298	0.5
296.68423	0.4
299.07254	2.6
306.09351	0.8
315.28259	0.5
317.08258	0.5
334.08939	0.6
411.13934	0.4
439.39127	0.5
531.07581	0.4
538.01465	0.4
573.19238	2.1
687.22516	100.0
688.23029	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	687.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86589	0.4
52.10045	0.4
65.95701	0.4
69.20171	2.4
77.53703	0.4
80.79951	0.5
81.03417	0.5
81.37276	0.4
84.08177	0.6
86.09753	0.4
105.07016	0.4
109.02917	0.4
112.35257	0.4
128.00783	0.5
129.10237	0.5
146.06009	1.2
148.07677	0.5
151.03900	0.7
167.07039	1.0
184.68694	0.4
185.04298	0.5
296.68423	0.4
299.07254	2.6
306.09351	0.8
315.28259	0.5
317.08258	0.5
334.08939	0.6
411.13934	0.4
439.39127	0.5
531.07581	0.4
538.01465	0.4
573.19238	2.1
687.22516	100.0
688.23029	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	687.457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23733	0.9
51.36673	1.0
55.45400	0.9
57.07071	3.9
57.09551	0.9
68.58885	1.2
70.06592	5.8
71.39331	1.0
88.07626	8.4
92.78658	0.9
102.09166	2.7
106.08669	3.6
121.09501	1.0
125.31759	1.3
151.07477	1.4
163.13748	1.1
190.30049	1.2
193.23970	1.1
212.23761	2.5
256.26343	2.8
274.27396	100.0
275.27771	3.1
687.22894	1.4
687.36206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.3
58.06589	0.4
59.65777	0.4
60.15408	0.4
60.34625	0.5
66.98486	0.4
67.05503	0.7
69.73114	1.1
70.06592	5.7
71.08640	1.4
74.31693	0.4
79.05502	0.8
80.67107	0.4
81.03418	0.7
81.07054	0.9
81.61636	0.5
85.10140	0.4
88.07635	8.5
91.05470	0.9
93.07042	0.8
95.04977	0.6
102.09173	2.3
106.08679	4.2
107.08596	0.5
149.61369	0.4
197.84705	0.5
212.23660	2.2
230.24770	0.5
244.26337	0.9
256.26419	3.8
267.15900	0.5
274.27408	100.0
275.27747	3.1
277.05078	0.5
281.17380	0.5
283.15363	0.5
452.91107	0.5
474.78986	0.4
489.28717	0.5
490.28769	1.2
687.40009	1.3
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
50.08616	0.6
63.45182	0.7
67.05508	2.3
67.74188	0.7
69.26433	0.6
70.63638	1.1
79.05492	1.1
81.07060	3.3
91.05502	0.8
93.07063	1.3
95.08619	1.9
105.07077	0.7
107.08614	0.8
109.10188	0.9
145.03970	0.7
148.75951	0.8
303.21689	0.7
335.21872	3.3
375.25220	1.2
391.24576	2.1
639.82281	0.7
687.48041	100.0
688.48547	9.3
690.19684	0.9
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
51.51704	0.6
55.05521	0.7
58.43383	0.6
67.05492	3.4
69.07064	0.9
69.71545	0.7
71.10280	0.9
78.76855	0.7
79.05520	1.9
81.07061	3.8
91.05457	0.7
93.07062	1.3
95.08611	1.9
105.07001	1.1
107.08571	0.8
109.10178	0.9
335.21890	5.0
391.24496	3.5
687.48041	100.0
688.48553	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	688.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
65.03947	0.6
69.03427	2.0
70.06586	0.9
70.73849	0.6
77.03952	0.4
79.05492	1.3
79.08562	0.4
80.05038	1.1
81.03440	0.6
81.05801	0.7
82.06587	1.3
85.02921	2.8
89.03934	0.6
89.32843	0.4
91.05475	1.2
93.07052	1.1
94.06567	3.4
95.04980	0.7
95.07355	1.7
95.08597	0.4
96.08141	6.1
97.02905	1.2
97.06529	0.5
97.08476	0.4
98.06057	0.6
103.05452	0.4
105.04514	0.5
106.06582	1.4
107.04949	1.0
107.07393	0.6
108.04482	9.1
108.08123	5.7
109.02900	0.6
110.09696	6.2
116.04978	2.3
120.08112	4.6
121.06527	1.0
122.06034	7.2
122.09686	0.6
124.07599	23.4
125.07977	0.6
127.03902	0.6
136.07587	6.6
137.05968	0.5
138.09145	10.4
139.09470	0.5
140.07101	1.9
144.04469	3.8
145.02878	0.8
146.06000	9.0
148.07588	3.3
150.05511	1.8
150.09171	0.6
152.07072	4.3
160.03981	2.8
161.55876	0.4
162.05540	1.8
166.08638	11.7
166.10013	0.6
167.07050	0.7
167.08992	1.5
168.06581	13.0
172.03938	17.1
173.04639	1.5
174.05527	7.5
174.06967	0.6
175.22421	0.4
181.04944	0.6
190.04999	31.0
191.05624	0.9
192.06615	1.0
204.06577	18.8
205.06969	0.5
206.08118	7.0
207.06551	0.8
208.09982	0.7
222.11610	0.4
223.12234	0.8
224.09528	0.8
226.10883	0.5
234.09431	0.5
236.09497	1.8
237.10277	0.7
238.10774	0.5
239.11755	0.6
249.10426	0.5
250.10992	0.7
251.09500	0.4
251.11702	2.4
252.09006	1.0
253.09769	0.9
264.09015	1.0
265.09723	0.9
266.10126	0.7
267.11023	0.5
269.09457	0.4
278.10559	0.6
279.08524	0.7
279.11331	5.5
281.09174	0.9
283.10699	0.8
287.10269	1.1
295.10675	1.3
296.11356	0.9
297.12341	11.2
299.10190	2.1
307.10754	4.6
311.10275	0.6
313.11862	3.0
323.10324	4.7
325.11835	52.4
326.12039	2.4
328.10098	0.6
329.11401	2.3
339.09631	0.6
341.11346	5.0
343.12936	4.8
357.14474	0.7
359.12363	1.4
360.12851	0.9
361.13776	1.5
372.12903	0.7
373.13901	5.6
452.18451	1.2
466.19498	1.6
476.18042	3.1
480.21298	0.7
492.17493	0.9
493.17746	1.1
494.19223	100.0
495.19534	5.8
508.20703	4.2
512.20282	4.0
525.20734	0.9
526.21790	19.3
527.22327	1.2
670.26056	0.7
686.77972	0.5
688.26813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
54.52683	0.3
54.69664	0.4
55.01873	6.0
55.05512	10.1
57.03437	7.8
57.07059	0.6
59.05008	2.3
61.02931	3.2
65.03916	0.5
67.05508	7.5
69.03398	1.5
69.07079	2.4
70.51246	0.4
71.00868	0.3
71.01325	1.1
71.04991	2.5
73.02892	1.1
77.03911	0.5
79.05492	13.0
81.02969	0.4
81.03419	7.6
81.07058	10.7
83.00872	0.5
83.01337	6.6
83.04984	7.9
83.08616	8.3
85.02416	0.3
85.02905	5.4
85.06508	0.6
91.03925	1.4
91.04951	0.5
91.05478	8.8
93.07043	16.3
94.07342	0.3
95.04971	4.4
95.08605	5.3
97.02891	2.5
97.06535	2.8
97.10146	1.5
99.04443	2.0
99.08093	0.4
103.20396	0.4
105.04491	0.6
105.07049	6.4
107.04959	6.2
107.08591	9.4
109.06523	5.4
109.10127	1.0
111.04453	1.8
111.08057	1.7
115.03978	0.4
117.07022	5.1
119.08592	5.9
119.50041	0.4
121.06509	2.8
121.10143	6.5
123.04390	0.5
123.08069	7.3
125.05962	1.2
125.09603	1.1
127.03911	0.9
128.06142	0.3
129.06941	1.0
130.07755	0.9
130.56599	0.4
131.08574	2.7
133.10106	1.4
135.08017	1.2
135.11688	9.4
137.09589	1.3
139.07541	0.7
145.06522	0.5
145.10130	11.7
147.08003	1.4
149.05983	0.4
149.09624	0.9
151.11136	0.5
153.12743	2.3
155.08516	1.4
163.11188	18.3
173.09628	2.1
181.12190	2.5
184.18878	0.3
190.46448	0.3
191.10675	2.5
209.11734	5.4
227.12759	2.6
283.15390	100.0
284.15778	3.5
347.59384	0.4
473.25638	0.5
491.26376	46.5
492.26660	2.5
584.28290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57133	0.4
53.03928	0.7
54.03160	0.5
55.01876	3.3
55.05513	8.3
57.03439	6.5
57.07042	0.7
59.04971	1.7
61.02895	1.6
65.03925	0.6
67.05507	9.0
69.03416	1.4
69.07063	3.5
69.18423	1.1
69.18823	2.0
71.01326	0.5
71.04993	2.7
73.02888	1.1
77.03902	0.8
79.05498	15.7
81.03419	6.4
81.07059	13.7
83.01342	4.5
83.04990	6.3
83.08211	0.5
83.08619	7.4
84.08104	0.4
85.02920	3.0
85.06503	0.7
86.09689	0.5
89.22652	0.5
91.05482	8.1
93.07049	23.9
95.04980	5.5
95.08041	0.7
95.08611	14.4
97.02894	3.8
97.06526	3.8
97.10150	0.6
98.23419	1.2
99.04452	2.3
103.05435	0.5
105.04503	0.9
105.07027	6.6
107.04963	7.1
107.08595	15.2
109.02870	0.6
109.06525	3.7
109.10126	1.9
111.04401	1.9
111.08055	1.0
117.07026	6.9
119.08575	9.5
121.06510	4.2
121.10145	8.1
123.04433	0.5
123.08080	3.8
125.05926	1.6
125.09603	0.7
129.07001	1.0
130.07782	0.9
131.04852	0.6
131.08522	2.0
133.10115	2.1
135.08038	1.9
135.11691	26.4
136.11964	0.4
139.07503	1.1
142.65582	0.5
145.06433	0.5
145.10129	20.1
147.07985	1.4
147.11714	0.5
149.09596	0.9
153.12700	1.8
155.08565	0.8
155.77522	0.6
157.10173	0.5
163.11185	38.6
164.11507	1.1
173.09590	1.7
181.12257	5.8
191.10634	1.5
209.11714	3.9
211.95721	0.5
227.12784	27.4
228.13145	0.8
247.66518	0.5
265.14273	0.7
267.15973	1.6
283.15402	100.0
284.15775	3.4
299.15369	0.5
459.27628	0.7
459.43768	0.5
460.52805	0.5
491.26401	71.2
492.26749	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	688.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01874	3.4
55.05515	15.0
57.03440	11.6
57.07076	1.1
60.37624	0.9
61.02921	1.3
65.03951	1.7
67.05507	38.0
67.05869	2.0
69.03437	3.2
69.07069	8.8
69.34966	0.8
69.46898	4.1
70.06596	1.3
71.01338	1.0
71.05000	4.5
71.08646	0.9
73.06557	1.6
75.06488	0.8
77.03923	1.2
79.05495	48.1
81.03422	44.3
81.03904	2.1
81.07061	36.0
83.04988	14.6
83.08623	17.8
85.02914	13.7
85.06551	1.9
87.04472	2.0
88.07626	2.2
91.05482	50.1
93.07047	45.9
95.04972	27.4
95.08612	17.7
97.02898	3.0
97.06515	5.5
97.10187	4.1
99.08116	1.8
105.04537	2.8
105.07032	35.3
106.08666	1.2
107.04953	7.2
107.08598	15.1
109.06528	7.1
109.10151	3.7
111.04446	1.4
111.08071	6.2
115.05477	1.3
117.07025	5.0
119.04977	1.0
119.08590	22.2
119.44020	0.9
121.06512	2.5
121.10138	7.5
121.22034	1.0
123.08054	5.8
125.09611	1.4
127.07500	1.0
128.06256	2.4
129.07001	16.9
129.12688	1.2
131.08569	9.0
133.06485	2.8
133.10130	13.1
135.11717	1.6
137.09666	1.1
142.07805	1.7
143.08559	4.7
145.10127	8.9
147.08025	3.2
147.11694	26.3
149.09644	4.1
157.10124	8.0
161.09619	2.8
161.13264	5.4
165.12721	2.1
171.11696	13.5
175.11183	9.2
179.34572	1.1
189.12718	5.0
193.12251	23.7
194.12625	1.1
207.13818	19.1
207.15598	1.9
211.13298	33.7
249.14862	1.3
267.15924	39.4
268.16074	1.1
274.27426	21.8
281.17471	53.0
282.17804	1.7
285.16986	33.2
299.14761	1.3
321.10797	1.0
473.28979	100.0
474.29590	7.3
491.30096	72.1
491.35449	1.1
492.30200	6.0
629.37030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.9
57.03444	11.1
57.07084	1.5
58.06618	1.2
59.04997	3.3
60.08159	5.3
61.02929	3.4
63.95568	1.5
65.03946	1.4
66.92796	1.4
67.05508	71.2
69.07078	10.8
71.04994	3.0
71.07371	3.8
78.68651	1.4
79.05489	9.4
81.06628	2.5
81.07065	28.2
83.08633	8.6
85.02891	2.2
85.06575	2.9
86.09708	36.8
88.77788	1.7
91.05476	7.4
93.07068	8.2
95.08620	18.3
97.02911	2.1
97.10173	3.6
98.98473	3.9
104.10768	1.4
105.07035	3.9
107.08610	6.3
109.10149	51.6
111.08089	2.8
119.08611	5.2
121.10115	2.5
123.11687	1.9
125.00010	19.8
125.09689	1.4
131.69905	1.3
133.10132	2.8
135.11729	2.5
135.22040	1.4
137.09654	2.9
149.13164	1.7
155.10696	4.2
173.11754	14.7
184.07347	100.0
198.98917	1.4
227.12772	1.6
229.14349	92.0
230.14919	1.6
245.22633	1.4
263.23672	4.2
319.18329	1.7
337.27374	50.1
338.27640	3.9
491.37341	42.9
492.37595	3.7
688.45825	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	689.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55099	0.4
69.58226	1.4
83.42896	0.4
95.56359	0.3
124.21494	0.3
125.14370	0.4
169.43204	0.4
185.04208	32.4
186.04608	0.5
203.05261	19.2
245.05042	0.6
257.05106	0.4
273.05600	0.4
275.06741	0.5
326.37177	0.4
347.09476	42.1
348.09918	0.7
365.10522	21.5
366.11072	0.4
437.12448	0.4
509.14795	9.9
527.15869	12.4
528.16284	0.9
628.59167	0.4
689.21045	100.0
690.21484	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	689.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85794	0.7
78.43353	0.6
97.02913	0.8
101.00890	4.2
109.02888	0.7
113.00899	1.8
115.02475	0.7
119.01923	3.7
127.02466	0.9
131.01939	2.9
139.02397	0.6
143.01892	6.8
145.03453	3.6
155.01900	13.2
157.03503	1.7
161.03011	2.7
167.01865	7.8
169.03519	1.6
171.01427	1.1
171.05057	2.0
173.02992	9.9
179.01862	3.6
181.03426	1.0
185.02937	16.4
185.04289	26.5
186.03114	1.0
187.04552	1.5
191.01961	0.7
197.02966	11.4
198.03105	0.8
199.04587	0.9
203.05426	15.1
209.03009	4.8
211.04742	0.7
213.60194	0.7
215.03992	4.7
221.03040	1.8
221.05141	0.9
223.04610	0.7
227.04041	5.3
239.04018	4.1
245.05057	53.2
246.05287	3.0
251.04082	2.0
257.05081	10.4
257.07642	1.1
263.06244	1.6
269.05112	4.2
275.06085	14.6
281.05057	1.0
283.76144	0.7
287.06088	4.0
299.06039	1.2
305.07111	5.7
317.07327	0.6
329.07239	1.1
335.08441	0.9
347.09470	41.7
348.10098	1.0
365.09940	30.5
366.10001	1.3
383.10324	9.6
407.10257	3.6
437.11533	3.3
455.12598	1.0
461.12146	0.8
509.14615	11.9
527.15393	16.1
528.16138	0.8
689.21033	100.0
690.21619	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	689.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54659	0.4
53.03942	0.6
55.01870	0.5
55.05499	0.8
57.03431	1.2
61.02933	3.4
65.63191	0.4
67.05500	3.9
69.03441	1.9
69.07069	0.8
69.09583	2.6
71.01350	0.5
73.02927	2.4
73.06572	0.5
73.36151	0.4
79.05493	5.8
81.03415	2.2
81.07057	2.8
83.04987	0.9
83.08614	0.9
84.63643	0.5
85.02914	3.2
91.03954	1.6
91.05479	4.7
93.07042	4.5
95.04973	2.5
95.08627	2.4
97.02905	2.9
97.06524	0.5
99.04482	0.5
100.11277	0.6
101.02388	1.4
105.07038	2.5
107.04987	0.6
107.08614	1.7
109.02882	0.9
109.06527	1.0
109.10145	0.5
117.07039	0.7
119.08588	2.3
121.06454	0.5
127.03942	0.9
129.07024	1.7
133.10176	0.6
135.11723	0.8
143.08511	0.6
145.10144	1.2
147.11676	2.2
161.09641	0.4
161.13322	1.1
163.11235	0.5
166.00180	0.4
171.11713	1.7
203.05373	0.6
207.13789	0.5
243.08449	2.7
247.13098	1.9
302.30557	1.8
303.15695	1.0
465.21027	12.8
466.20975	0.5
506.13788	0.5
527.29956	0.4
687.48962	0.5
688.54199	0.9
689.34955	100.0
690.35437	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	689.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97781	0.5
55.05505	0.9
56.05031	4.6
57.05825	0.4
61.01156	4.1
66.37094	0.4
69.07069	7.2
70.02962	0.6
70.06574	0.8
70.56037	0.7
72.08154	7.8
81.07050	0.6
86.09704	100.0
87.10043	1.1
88.03994	9.0
98.06046	7.1
104.05325	16.2
133.06116	0.4
141.10210	0.7
145.66924	0.4
146.06335	19.7
156.10245	0.8
164.68491	0.4
166.08635	1.4
174.05836	24.1
175.06017	0.5
183.11285	0.9
185.16504	2.0
189.12352	0.6
191.88591	0.4
201.10416	0.6
201.12334	11.2
213.15907	2.2
229.11888	1.7
288.19177	1.6
289.08490	11.9
313.76093	0.5
328.18750	1.1
374.17426	13.9
375.18082	0.7
402.16922	49.8
403.17245	2.0
430.19751	0.4
441.27164	0.5
473.24252	1.1
501.23755	26.7
502.24268	1.2
525.91364	0.4
609.76776	0.5
614.31842	1.1
689.78912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46693	0.1
53.03935	0.2
55.01861	0.2
55.05509	0.7
57.03426	0.5
57.06823	0.3
57.07079	3.8
58.06603	0.3
62.06079	0.3
67.05504	1.4
68.05828	0.4
69.03405	0.2
69.07061	0.5
69.36118	0.8
70.06596	6.4
71.04996	0.2
71.08630	1.6
74.06124	0.2
79.05488	1.8
80.05824	0.3
81.03421	2.0
81.07052	1.3
82.03799	0.2
83.04993	0.6
83.08620	0.7
85.02905	0.5
85.10181	0.5
88.07632	10.2
91.05490	1.7
92.05793	0.2
93.07047	1.2
94.07352	0.3
95.04956	1.1
95.08598	0.6
97.06519	0.3
102.09180	2.9
105.07037	1.2
106.07481	0.2
106.08666	6.1
107.04947	0.3
107.08595	0.5
109.06487	0.2
109.10145	0.2
111.08083	0.2
117.07040	0.2
119.08620	0.8
120.08885	0.2
121.02924	0.2
121.06535	0.4
121.10158	0.2
125.09579	0.2
129.06998	0.4
131.08557	0.2
133.10120	0.4
135.08064	0.2
135.11716	0.3
145.10115	0.2
147.11700	0.7
148.11963	0.2
157.10130	0.4
163.11247	0.2
171.11707	0.2
172.12044	0.2
174.22641	0.2
175.11180	0.4
175.82532	0.2
184.28392	0.1
193.12254	0.7
207.13892	0.3
208.14151	0.3
211.13333	0.5
212.13647	0.2
212.23776	1.0
230.24765	0.4
256.26355	4.4
265.54330	0.2
267.15912	0.9
268.16290	0.8
274.27396	100.0
275.27740	4.0
281.17462	1.0
282.17880	1.0
285.16968	0.5
286.17288	0.4
416.20529	1.0
463.21201	0.2
473.28763	0.7
474.29358	2.8
475.27032	0.3
491.30017	0.5
492.30536	1.8
493.27960	0.5
511.28958	0.2
689.40717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.5
55.05510	6.8
56.05024	1.4
57.03448	0.6
57.07079	4.1
60.04527	57.2
61.04859	0.6
67.05503	10.5
69.07065	8.3
69.72246	1.4
69.78721	0.4
70.06599	3.6
71.04981	1.7
71.08616	1.6
73.67032	0.5
79.05486	1.4
81.07059	10.4
83.08630	5.3
85.10168	0.9
86.09685	1.1
88.07633	0.6
91.05470	0.8
95.08019	1.0
95.08609	12.9
95.09209	0.8
97.10175	3.6
105.07024	0.7
106.08656	0.6
109.10163	5.4
111.11712	0.9
123.11720	1.6
167.70634	0.5
176.14522	0.5
184.07320	3.3
204.13881	1.8
217.72278	0.5
240.26849	2.3
254.28438	11.9
255.28842	0.7
266.28415	6.2
284.29483	42.1
285.29849	1.8
294.11258	0.6
302.30530	100.0
303.30865	4.2
310.17960	0.7
314.17383	0.5
324.19595	0.6
370.20212	3.9
388.16104	0.7
388.21173	10.0
689.42236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54337	0.3
53.03941	0.4
56.05033	0.7
59.64220	0.3
68.05029	2.5
68.46152	0.3
70.06590	0.9
71.44753	0.3
74.02454	0.7
80.05022	6.9
82.06577	1.2
84.04511	0.4
84.08147	0.4
86.06043	0.4
87.48180	0.3
94.06583	0.3
98.06037	0.5
102.05566	0.4
105.03384	0.8
108.96235	0.3
114.05527	2.7
115.08706	0.4
119.04992	0.3
120.04464	1.2
124.05231	0.6
128.07069	0.3
133.02838	0.6
137.06010	0.6
140.07269	0.3
145.06483	0.5
146.05995	1.4
147.04437	0.6
148.04062	0.3
149.05975	0.7
151.03853	0.4
159.04427	0.3
160.07692	0.5
169.06522	0.4
171.04459	0.7
175.03897	2.2
175.07426	0.4
177.05505	0.4
183.04457	0.3
187.07547	0.4
188.07146	0.4
197.06021	1.1
199.03899	9.6
199.07701	0.3
201.05423	0.7
211.07524	0.7
214.06291	0.5
215.06970	0.7
221.06027	0.3
224.06920	0.4
225.05501	1.3
225.09174	1.3
227.07066	0.9
234.06827	0.3
235.07520	0.5
238.06276	0.7
239.06972	0.8
240.07809	0.4
242.05737	1.0
243.06499	0.9
249.05469	0.5
249.09195	0.3
253.04759	1.5
253.08603	3.1
254.05649	1.0
255.02844	0.5
256.07394	0.4
257.08109	2.6
261.09091	0.4
261.12689	2.4
262.06213	0.3
263.07159	0.5
265.08716	0.6
266.05704	1.0
267.06430	0.8
269.08090	1.5
270.05252	1.4
271.09647	0.7
273.09155	0.4
277.08572	0.8
280.07361	0.7
281.08075	16.4
282.05276	1.2
282.08325	0.4
283.09738	0.5
284.06998	0.4
285.07584	13.2
285.10773	0.7
286.08298	1.5
287.09213	0.3
290.05731	1.1
291.06461	0.8
292.07260	0.4
293.08170	0.4
293.11423	0.4
295.09717	0.9
297.07568	8.8
299.09247	2.6
303.10199	0.4
305.08066	10.6
305.11331	0.5
306.08740	1.3
307.09488	1.1
308.06717	0.7
309.07642	1.2
311.09128	1.2
321.11151	2.6
322.11032	0.4
322.14395	0.3
323.09158	13.3
323.12491	0.7
324.09470	0.4
325.10715	1.1
330.11243	1.0
331.09659	0.7
332.12839	0.6
333.11142	0.7
336.10394	0.4
338.11517	1.1
339.12262	1.0
348.12253	3.3
349.10504	0.8
350.14093	1.7
351.12280	4.7
366.13351	2.0
367.11777	0.3
368.15024	1.4
376.11682	0.8
377.10168	0.4
394.12854	20.9
395.13434	0.8
397.11499	0.6
412.13907	100.0
413.14175	4.3
425.20117	0.6
433.13980	0.6
443.20905	0.3
560.20728	0.6
690.25403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01859	3.5
55.05293	0.9
55.05515	11.5
57.03437	9.9
59.04996	1.1
60.70122	0.7
61.02917	2.2
65.03912	0.8
67.05502	18.5
68.98528	0.8
69.03423	3.2
69.07072	6.9
71.04998	3.9
73.02885	1.4
76.26238	0.6
77.03930	1.0
79.05493	25.1
81.03415	37.6
81.07058	23.6
83.04977	8.6
83.08621	18.5
85.02906	15.4
85.06532	0.9
86.06084	1.3
91.05479	18.4
93.07040	30.5
95.04971	18.1
95.08604	26.1
97.02896	5.1
97.06548	4.1
97.10177	2.1
99.04469	2.6
99.08096	1.3
105.04579	0.8
105.07034	15.3
106.07342	0.7
107.04964	10.8
107.08591	21.4
109.06516	5.3
109.10164	3.3
111.04449	3.3
111.08089	7.1
113.06017	1.7
113.93459	0.7
115.05472	1.9
116.10743	2.4
117.07020	5.9
117.53699	0.7
119.08582	15.7
121.06499	5.1
121.10149	10.3
123.08073	3.2
123.11719	1.1
125.06001	2.8
129.06992	5.6
130.07794	1.1
131.08565	6.3
133.06532	1.1
133.10092	7.7
133.10858	0.7
135.08084	1.7
135.11688	29.1
137.09628	1.6
139.07603	1.1
142.07762	1.8
143.08543	1.1
145.10120	19.5
147.08066	1.9
147.11688	8.3
149.09616	3.1
157.10147	7.4
163.11179	45.0
164.11545	1.3
165.12785	1.8
175.11172	8.9
177.25395	0.8
181.12274	7.3
193.12251	23.7
207.82359	0.9
209.11732	1.6
211.13280	32.6
214.17966	7.4
227.12762	45.1
228.13245	1.3
267.15897	24.8
267.18732	1.4
268.16269	0.8
283.15387	59.9
284.15729	2.3
285.16953	52.5
286.17435	2.3
302.12735	0.8
442.31976	1.1
457.25616	1.5
475.26874	28.4
476.27420	1.9
493.27945	100.0
494.28381	6.5
637.71259	0.8
690.31195	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
53.92551	0.8
55.01874	4.5
55.05510	16.0
55.15366	1.1
57.03443	11.4
57.59407	0.9
59.05002	2.7
61.02922	2.6
64.96533	0.8
67.05507	13.2
69.03441	2.6
69.07069	4.7
69.94864	1.0
69.95191	2.1
71.04991	3.9
72.52507	0.8
73.02922	1.1
76.88918	1.0
79.05492	20.3
81.03421	37.5
81.07058	19.8
83.01348	3.8
83.04976	13.6
83.08623	15.9
85.02909	15.5
85.06539	2.2
86.36832	0.9
91.03979	1.5
91.05478	21.4
92.42797	0.9
93.07048	19.0
95.04965	14.9
95.05525	1.1
95.08613	7.8
97.02887	3.2
97.06549	3.3
97.10165	3.8
99.04460	2.5
105.07037	13.1
107.04962	5.8
107.08602	8.3
109.06514	8.1
109.10179	1.6
111.04448	2.3
111.08080	5.1
113.06009	2.1
117.07027	4.1
119.08581	10.8
121.06518	2.6
121.10144	9.0
123.08055	5.2
125.06075	1.1
125.09634	2.6
129.07014	5.2
131.08553	6.5
133.06467	2.1
133.10114	5.7
135.11705	5.4
137.09630	1.7
145.10107	8.6
147.08040	2.0
147.11693	7.1
149.09674	2.2
153.12744	1.7
157.10120	8.1
163.09906	1.6
163.11180	11.7
165.09378	0.9
165.12796	1.2
166.70486	0.8
167.87421	1.1
173.09663	1.1
175.11203	8.0
181.12300	2.1
191.10675	1.7
193.12248	22.9
194.12625	0.9
209.11772	2.9
211.13287	38.8
212.13632	2.0
227.12749	2.4
265.14310	1.1
267.15924	10.8
269.69202	1.1
283.15408	42.1
284.15817	1.4
285.16968	31.5
383.22156	2.2
457.25729	3.9
475.26926	15.8
493.27966	100.0
494.28400	7.4
534.17517	1.0
657.17798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	1.3
55.05456	1.4
56.05011	0.6
57.20862	0.4
59.04977	0.5
60.52344	0.4
63.73766	0.4
67.05447	2.1
68.04984	0.5
69.03431	3.4
69.07012	0.5
69.55959	1.1
69.56367	0.7
70.06593	6.2
71.05003	2.4
75.08434	0.4
79.05488	1.9
80.05029	4.2
81.07063	2.1
82.06525	0.7
83.01348	6.1
83.04953	0.5
84.08151	5.0
90.83377	0.3
91.05407	1.7
93.06965	1.8
94.06566	2.8
95.04899	1.2
95.07323	0.4
95.08609	3.2
96.08134	3.5
97.06473	0.5
98.05988	0.4
98.22649	0.6
99.04453	2.2
105.06969	1.8
106.06590	0.4
107.04965	0.4
107.08525	1.4
108.08065	1.6
109.06521	0.9
109.08839	0.5
110.09680	2.0
111.08093	8.4
112.07575	0.4
115.03938	3.4
117.07040	0.5
118.06491	0.4
119.08502	1.1
120.08048	1.6
121.06480	0.7
121.08840	0.6
121.10133	0.5
122.09666	7.7
123.07995	0.8
124.11243	2.1
125.05934	1.1
125.09608	0.9
126.09125	0.5
127.03916	3.7
129.06963	0.5
131.08508	0.8
133.10095	0.7
134.09656	2.5
135.08005	0.8
136.11220	6.5
137.05942	0.7
137.09525	0.5
138.12694	0.7
142.08542	0.6
143.03381	2.1
145.10161	0.5
148.11136	1.6
149.05943	0.5
149.09528	0.5
149.90479	0.4
150.09151	5.9
152.10718	3.8
154.12231	1.7
155.07022	0.5
160.11189	1.1
162.09114	0.6
162.12801	4.5
164.14363	41.8
165.09016	0.6
165.14633	1.0
168.10190	5.1
173.13275	0.4
174.12704	0.7
176.10663	0.6
176.14328	2.2
180.10106	1.1
182.11775	31.5
183.06477	0.7
183.12112	0.5
184.07333	0.7
184.13289	0.9
188.14372	0.6
189.09122	0.4
190.12221	0.7
190.15891	2.2
192.13803	0.7
196.13260	0.5
197.08002	0.4
206.15350	0.8
208.13319	0.9
216.13806	0.5
218.15398	3.4
220.13458	0.5
234.14880	7.6
235.15369	0.4
236.16467	7.3
247.09607	1.0
248.16475	0.5
260.16415	1.0
262.17944	1.2
264.19528	1.8
280.19031	1.1
292.19067	12.1
297.38773	0.4
308.18573	22.9
309.18878	0.7
330.20718	0.7
336.17902	0.7
360.18195	1.9
388.21225	0.9
390.22864	2.0
402.18878	0.8
406.22260	1.5
416.20862	0.7
434.21753	100.0
435.22079	4.9
452.22903	0.5
529.33862	0.7
690.45776	97.8
691.36475	1.1
691.47632	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	690.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03980	0.7
55.05521	0.7
64.34084	0.7
67.05506	1.8
69.03432	5.4
69.26352	3.6
70.06600	5.3
71.04991	3.4
79.05518	1.3
80.05026	2.0
80.33965	0.7
81.07070	1.4
81.37153	0.7
82.06645	0.7
83.01331	3.3
84.08149	2.3
91.05476	1.4
93.07051	1.9
94.06593	2.2
95.08615	2.2
96.08144	2.5
96.75889	0.8
98.23459	1.2
99.04466	1.0
105.07046	2.2
107.08615	0.9
109.06526	0.8
110.09716	1.7
111.08080	14.9
115.03952	1.4
120.08098	1.2
121.06508	0.8
122.09695	3.2
123.08075	0.8
127.03938	1.8
134.09686	2.5
135.10461	0.8
136.11179	3.5
143.03452	1.3
148.11275	1.5
150.09128	4.5
152.10706	1.9
154.12263	0.8
155.07089	1.0
160.11263	0.7
162.12787	5.1
164.14348	13.7
168.10240	3.1
170.11737	0.9
175.11392	0.8
176.14360	0.8
177.15178	0.9
182.11778	13.6
184.13464	1.3
188.14383	0.7
190.15912	2.4
191.10692	0.8
197.08167	1.2
206.15434	1.3
208.13469	0.9
218.15335	1.1
219.10188	0.8
230.07355	0.8
234.14896	9.5
236.16473	5.8
237.16765	1.1
247.09703	1.4
261.17514	0.7
262.18069	1.5
264.19754	0.7
280.19138	2.0
292.19086	7.2
306.17249	0.7
308.18549	26.8
309.18970	1.3
323.17075	0.6
336.18185	1.2
347.09543	0.9
348.10165	0.9
360.18121	3.8
390.22949	1.1
434.21744	62.5
435.21747	3.6
452.22708	7.5
453.23279	0.8
515.88977	0.9
690.21112	2.9
690.45740	100.0
691.46106	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	691.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87337	0.3
53.03954	0.9
54.65796	0.3
55.01880	0.5
55.05516	1.8
57.03432	1.2
61.02926	4.5
65.03921	0.4
67.05499	4.0
69.03429	2.3
69.07078	0.8
69.42756	1.1
71.01349	0.4
71.05013	0.5
73.02914	2.9
79.05488	4.6
81.03413	3.3
81.07056	3.1
83.01347	0.3
83.04991	1.7
83.08624	1.2
85.02901	3.1
91.03961	2.6
91.05466	3.6
92.43405	0.3
93.07045	4.1
95.04989	1.8
95.08607	1.8
97.02903	3.2
97.06530	0.6
97.10168	0.4
98.32690	0.3
99.04462	1.1
101.02380	1.3
105.04530	0.5
105.07034	2.5
107.04985	0.7
107.08586	1.6
109.02893	0.8
109.06506	0.7
109.10146	1.1
111.04447	0.4
117.07012	1.1
119.08584	2.2
121.06502	0.7
121.10152	0.9
123.08022	0.7
127.03944	1.2
129.07010	1.3
131.08591	0.7
133.10135	1.3
135.11707	1.3
137.09753	0.3
143.08600	0.8
145.10184	1.7
147.08067	0.5
147.11700	2.1
149.09689	0.4
161.13235	0.6
163.11201	1.9
171.11636	1.5
171.71982	0.3
184.07208	0.3
185.04237	0.7
189.12798	0.5
203.05322	0.4
213.75578	0.3
222.98694	0.4
233.08292	0.5
240.31259	0.3
243.08453	2.5
247.13072	1.3
267.16031	0.4
268.16327	0.6
283.15479	0.6
303.15576	0.7
304.28421	2.2
324.46002	0.3
465.20917	8.1
465.27042	0.6
467.18848	4.1
475.26843	0.5
476.27014	0.4
511.28357	0.4
691.32916	100.0
692.33392	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	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
57.07045	1.0
57.26231	1.0
61.02933	3.8
65.94749	1.0
66.24832	1.1
67.05502	8.2
69.03440	3.1
69.45763	4.1
73.02920	3.8
79.05491	1.6
81.03421	1.1
81.07091	2.6
85.02908	4.7
91.03972	2.4
93.07053	1.7
95.08607	2.3
97.02906	5.9
101.02370	2.1
107.08539	1.1
109.10155	7.1
109.24522	1.2
126.31230	1.0
127.03944	1.7
127.62532	1.1
132.40375	1.2
155.77306	1.1
173.11778	2.0
185.04282	1.2
213.54147	1.3
229.14391	1.1
243.08386	3.2
413.17743	10.6
431.21802	1.2
519.29486	4.9
691.40234	100.0
692.40814	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	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14887	0.5
53.03945	0.7
55.05511	1.3
55.77109	0.5
57.03432	1.3
57.07080	1.6
61.02926	4.9
65.91444	0.6
67.05497	4.8
69.03436	2.1
69.07059	1.2
69.66681	1.8
73.02917	3.5
79.05505	2.2
79.64621	0.5
81.03400	0.7
81.07036	2.7
85.02905	3.9
91.03957	3.3
91.05499	1.0
93.07058	2.5
95.04961	0.7
95.08612	2.3
97.02886	3.5
98.23464	0.6
99.04458	0.6
101.02410	1.6
107.08586	1.1
109.02876	0.6
109.10155	2.9
121.10145	1.1
122.91114	0.6
127.03928	1.2
132.97826	0.5
169.25960	0.5
170.05188	0.6
173.05948	0.6
173.11893	0.9
182.13388	0.6
188.08368	0.9
203.10600	1.3
243.08475	1.6
259.16925	6.5
260.17328	3.8
324.97040	0.6
335.25995	0.8
413.17578	3.8
416.44757	0.7
519.29315	6.8
691.40234	100.0
692.40741	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	691.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06572	1.9
84.08147	5.7
85.02898	1.1
92.94659	0.9
110.09692	1.1
124.11182	1.6
125.05973	1.7
127.12316	1.0
136.11246	2.0
137.06009	1.0
140.70793	0.8
145.02856	1.2
147.50397	0.8
150.09154	1.2
162.12784	2.9
177.05475	1.6
236.16399	2.7
238.14368	2.1
250.18018	1.2
264.15961	30.2
265.16360	1.2
268.19125	1.6
296.18570	3.1
310.07486	0.8
315.21555	0.9
320.18503	1.9
322.20084	2.4
323.20477	2.4
338.19565	7.2
352.21167	28.0
353.21283	1.3
370.22229	100.0
371.22672	5.0
387.52863	0.8
557.81873	0.9
586.93695	0.9
633.82721	1.0
691.33441	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	692.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03949	0.2
55.05504	0.2
55.78473	0.1
61.60769	0.2
62.02470	0.1
62.66998	0.1
64.04309	0.1
65.03931	0.4
67.05470	0.2
68.01376	0.3
68.05015	1.0
68.46181	0.2
69.03424	0.6
69.04536	0.3
69.07069	1.0
69.47517	0.2
70.02950	1.0
70.06600	0.3
73.40424	0.1
77.03922	0.5
79.05473	0.2
80.05036	0.3
81.03403	0.2
81.07053	0.3
82.06573	0.4
84.08141	0.4
85.02888	0.4
86.06065	0.4
86.09706	6.7
88.03998	0.8
91.05477	7.1
93.07043	2.5
94.02898	0.2
94.06580	0.6
95.04991	0.8
95.06092	0.3
96.04511	1.2
96.08143	0.5
97.03999	0.4
97.06492	0.2
98.06050	1.8
98.09691	0.4
103.05466	9.4
105.04506	0.5
105.07034	0.5
106.06542	0.3
107.04959	0.5
109.06570	0.2
109.07558	0.2
110.06034	0.5
110.09678	0.5
111.05545	0.5
111.09203	0.2
112.03962	0.6
112.07599	0.2
112.11216	0.4
113.03451	1.1
113.07108	0.4
114.05537	0.3
115.05479	0.2
116.04983	0.6
117.05766	0.8
117.07085	0.2
118.06542	14.8
119.04917	1.2
119.08554	0.3
120.08102	100.0
121.06514	0.2
121.07629	0.3
121.08440	1.7
121.10178	0.2
122.06041	0.6
124.07560	0.3
125.03479	4.3
125.07122	0.8
126.05547	0.2
127.03983	0.2
127.05008	0.2
130.04984	0.3
130.06532	0.4
131.04913	0.7
132.04457	2.9
132.08150	0.2
133.05215	1.5
134.05998	3.1
135.05495	0.3
135.06819	0.3
136.07578	6.5
137.03485	0.5
137.07066	1.2
137.09627	0.1
138.05531	0.6
138.09123	0.7
139.05026	0.8
139.08656	0.5
140.03438	0.6
140.07076	0.2
141.02968	0.2
142.04973	1.7
144.08089	0.6
145.10068	0.2
146.06007	14.0
147.04422	0.2
147.06375	0.3
148.07573	0.3
149.07141	0.4
150.05524	0.3
151.05009	0.4
152.10715	0.3
153.06631	0.7
153.10202	0.2
154.04970	0.2
155.04645	0.2
156.04529	0.3
156.10086	0.2
158.06017	3.6
160.03947	0.6
160.07603	1.1
161.82869	0.2
162.05513	1.0
162.77142	0.2
163.05017	0.4
164.07059	0.3
165.06619	1.4
166.05026	0.4
166.12276	0.3
167.08185	0.2
169.06107	0.4
170.09593	0.2
172.07648	0.3
177.06610	0.2
177.10269	0.3
178.04996	2.0
179.04460	0.2
179.05800	1.7
179.11755	0.8
180.06569	0.3
180.10167	0.2
181.06134	0.3
181.09718	1.9
181.13364	0.3
183.04033	0.7
183.07751	0.4
184.03726	0.7
186.05469	0.9
188.07083	0.3
188.14392	0.2
189.06580	0.2
189.09097	0.4
190.04999	1.7
191.04457	0.3
191.08177	0.7
193.06117	0.6
193.09734	0.2
195.04060	0.5
196.07187	0.2
197.05550	0.2
199.07091	0.3
199.08705	0.3
201.04948	0.2
201.06560	1.0
201.10272	0.2
202.04991	0.7
202.12277	0.2
203.08234	0.3
204.06593	0.6
205.06165	0.3
205.09760	0.5
205.13342	0.4
207.03851	0.2
207.11330	0.3
208.10881	0.6
209.05618	0.4
209.09152	0.2
209.12830	0.4
211.07082	0.3
212.03474	0.2
214.05074	0.3
214.08633	0.2
214.12230	0.5
221.12868	0.5
222.09158	0.7
223.10725	0.3
224.06645	0.2
225.05020	0.5
227.08278	0.2
229.05988	0.8
230.04530	0.6
231.11325	0.4
233.12947	0.4
234.09053	0.5
236.10654	1.1
237.05052	2.0
245.09288	0.2
246.08977	0.2
246.11363	0.4
247.07123	0.6
247.10756	0.3
249.12257	0.5
251.10297	0.8
252.09970	1.2
253.04543	0.6
253.09866	0.5
254.07756	0.3
255.06085	0.3
255.11316	0.5
257.12827	0.2
259.10782	0.4
261.12329	1.1
264.13412	0.5
266.07843	0.2
269.13010	0.3
270.07224	0.3
271.05731	0.5
271.10822	0.4
273.08780	0.3
275.07025	0.2
275.10226	0.3
276.10858	0.2
276.13446	0.7
277.11771	0.4
278.15057	0.3
280.09814	0.6
281.09250	0.4
281.12726	0.3
282.11072	0.2
283.10892	0.3
289.11877	0.9
292.12872	0.4
293.11310	0.8
294.14487	0.3
297.08780	0.2
299.10361	0.5
301.11905	0.5
305.11365	0.3
315.09744	0.5
317.11111	0.2
322.13977	4.8
323.14218	0.2
325.08154	0.3
327.09747	0.7
338.13458	5.9
339.13745	0.3
340.14948	0.2
342.10931	0.2
343.09207	0.5
344.12433	0.3
350.13449	0.8
361.10175	0.2
366.12903	1.1
370.10272	0.3
416.10791	0.2
432.10562	0.4
442.08533	0.3
455.19244	0.4
457.20734	1.2
469.20621	0.2
471.18802	0.3
473.20163	1.9
483.18219	0.3
499.18457	0.3
501.19769	4.3
502.19772	0.2
513.19916	0.6
514.22864	0.4
517.19281	12.5
518.19464	0.7
527.17688	1.9
529.18732	0.3
534.15045	0.2
545.18665	2.5
555.16663	0.2
558.21790	0.8
568.20331	0.5
572.19556	0.5
575.25092	0.4
585.23096	0.2
586.21234	0.7
589.22754	0.3
601.22632	0.2
602.25562	0.3
603.24310	0.2
609.59003	0.2
619.24023	2.5
620.25647	0.3
630.25690	0.3
646.24847	0.5
647.23792	0.6
664.25812	1.2
674.24713	2.3
692.25073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05514	0.8
57.03434	0.8
67.05524	1.1
69.03430	1.8
69.07078	1.2
70.02952	0.8
71.04999	0.7
77.03928	0.6
78.54103	0.5
79.05489	1.4
81.03421	2.1
81.07053	2.6
83.08636	0.9
85.02914	3.2
85.06535	0.5
86.09709	100.0
87.05576	0.6
87.10061	1.2
90.85831	0.4
91.05490	2.6
93.07066	4.4
94.06561	0.5
95.04985	1.9
95.08608	1.5
96.04508	0.5
97.02893	2.4
97.06535	0.8
103.05478	7.7
103.38290	0.5
105.04542	0.8
105.07040	2.8
107.08607	1.9
108.08095	0.6
109.02873	0.6
109.10128	0.5
112.03947	0.6
113.02357	1.3
115.03932	1.5
115.05460	0.5
117.07036	0.6
119.08581	1.6
120.08108	78.2
121.08445	1.8
121.10112	0.7
122.06006	0.6
123.11749	0.5
125.03498	1.0
127.03906	1.6
129.06985	1.0
130.06549	0.7
131.04929	1.1
131.08615	1.3
132.04454	8.2
133.05092	1.1
133.10112	1.0
134.06013	3.3
135.11665	0.5
136.07532	0.6
138.05447	0.7
138.09123	0.5
140.03413	0.6
143.08553	0.5
145.04977	1.1
145.06458	0.6
145.10097	2.6
146.06093	0.7
147.11681	0.9
148.07811	0.4
157.10187	0.5
158.04692	1.1
158.06010	11.9
158.07259	0.9
159.11690	1.9
160.03870	0.6
160.07584	1.9
161.13255	1.7
164.03401	3.2
167.06998	1.4
172.03955	1.2
175.14699	0.5
178.04973	7.8
180.02856	0.8
181.04797	0.5
181.06165	0.5
186.05487	1.6
188.14322	0.9
193.12247	0.9
198.09151	1.8
201.06674	1.0
201.16423	4.4
204.06569	5.7
208.02364	0.9
209.05495	0.9
210.04030	1.7
215.11893	0.8
219.03983	1.9
219.17377	0.7
226.03511	0.7
227.06561	0.6
230.04471	1.0
243.11276	7.9
247.07159	3.1
253.04556	5.7
254.02824	0.6
265.04590	2.7
277.11856	0.5
285.12363	7.6
294.14465	0.7
303.13364	7.8
321.07309	0.5
321.10876	7.2
323.18414	1.0
325.08218	0.8
327.13266	1.0
338.13489	6.1
366.13010	7.8
387.07892	0.5
388.21191	0.8
389.21414	0.7
404.10635	1.1
429.21014	0.8
432.10269	3.0
459.27197	1.3
472.17447	0.6
473.20389	5.8
477.28632	2.3
495.29407	0.8
500.16449	0.7
517.19293	38.5
518.19745	3.0
545.18768	6.5
546.19122	0.7
620.26160	1.3
625.22748	0.6
639.24646	0.7
692.32782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01867	3.8
55.05511	18.0
57.03437	18.8
59.04989	0.9
61.02927	4.1
63.83944	0.8
64.16199	0.8
65.03929	2.0
67.05503	29.1
69.03419	7.4
69.07064	8.1
70.66313	1.2
71.01345	1.3
71.04987	6.9
73.02892	1.8
77.03925	0.8
79.05490	34.9
81.03416	97.0
81.07055	36.5
81.07423	0.5
83.04982	25.2
83.08619	32.6
85.02906	36.8
85.06540	2.4
85.58793	0.8
91.03966	1.5
91.05480	48.8
93.06445	1.4
93.07040	24.8
95.04967	39.2
95.08608	11.6
97.02872	7.1
97.06508	5.0
97.10151	5.6
99.04475	1.2
99.08076	1.5
105.04503	1.4
105.07026	32.1
107.04942	10.5
107.08593	9.9
109.06511	7.1
109.10162	4.1
109.29005	0.9
111.04428	4.2
111.08072	15.1
113.05989	3.7
113.85108	0.8
115.05457	2.7
116.06157	0.8
117.07011	2.4
119.08580	25.5
121.06501	2.2
121.10143	11.8
123.08051	3.6
123.11705	2.0
125.09610	1.4
129.06094	1.2
129.07014	17.7
129.07953	1.0
131.08569	16.5
133.06480	3.6
133.10127	14.9
135.08147	1.0
137.09618	2.9
142.07764	4.1
145.10124	2.8
147.08096	5.1
147.11670	22.0
149.09608	8.2
156.66963	1.0
157.10133	19.6
163.11177	1.0
165.12746	3.4
175.11180	22.4
179.37439	1.0
193.12244	65.1
194.12560	1.4
211.13283	100.0
212.13614	3.0
249.14912	1.3
267.15909	39.2
268.16241	1.0
285.16962	89.6
286.17267	2.8
349.21661	1.1
367.22522	2.4
370.66095	0.9
385.23633	4.3
403.24707	1.7
433.25797	1.7
441.26129	1.2
459.27390	25.2
477.28461	27.0
478.28751	1.3
495.29526	81.2
496.29620	3.8
639.32117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80366	0.9
55.01866	3.9
55.05515	17.4
57.03438	13.6
59.45161	1.0
61.02924	2.5
65.03944	2.1
67.05508	28.7
68.66127	1.0
69.03434	7.3
69.07058	8.1
70.09345	0.9
71.04996	5.1
73.02911	1.1
77.03934	1.0
79.05492	28.9
81.03417	77.4
81.07059	34.2
81.07466	0.7
81.25394	0.9
82.03757	1.0
82.07422	0.9
83.04980	18.7
83.08129	1.3
83.08620	26.6
85.02908	29.6
85.06544	2.5
87.04458	1.6
91.05478	43.0
93.07045	23.5
95.04971	43.5
95.08602	12.0
96.05276	1.1
97.02906	6.9
97.06541	5.4
97.10172	5.5
99.08090	2.2
100.29173	0.9
105.04523	1.7
105.07027	31.0
105.07735	1.5
107.04964	11.1
107.08601	12.6
109.06513	9.6
109.10160	3.7
111.04465	5.9
111.08080	12.2
113.05983	3.3
115.05430	1.8
117.07003	3.3
119.08574	23.8
121.06504	3.1
121.10158	11.1
123.08059	3.8
123.11693	3.1
125.05997	1.2
125.09622	2.9
128.06136	1.2
129.07005	16.2
131.08568	15.9
133.06505	5.1
133.10136	18.1
135.08035	3.9
135.11653	1.2
137.05943	1.2
137.09633	2.1
142.07803	3.2
145.06429	1.1
145.10143	3.0
147.08072	4.6
147.11681	22.2
149.09619	8.9
151.11218	4.4
157.10123	18.9
163.11226	1.9
163.44606	1.1
165.12833	5.0
175.11201	21.1
193.12241	58.4
194.12573	2.8
211.13301	60.8
212.13635	2.3
227.12610	1.5
249.14894	1.6
249.84938	1.1
253.14471	2.0
267.15903	48.5
268.16183	3.0
272.77661	1.1
283.15265	1.5
285.16971	87.0
286.17398	4.0
367.22797	3.2
385.23654	5.2
403.24747	1.1
432.19366	1.2
433.25711	1.9
459.27432	28.7
460.27960	1.0
462.99771	1.1
477.28500	57.5
478.28748	4.3
495.29498	100.0
496.29681	6.4
693.32080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05019	0.8
57.03415	0.1
57.07077	0.2
58.06367	0.2
58.06625	0.5
60.07877	0.3
60.08165	6.1
65.01602	0.2
65.15785	0.2
67.05495	0.8
69.07050	0.2
70.06610	0.2
71.07376	3.1
71.08631	0.2
71.42805	0.2
79.05483	0.6
81.03412	0.5
81.07046	0.8
83.08628	0.2
86.09710	29.4
87.10032	0.3
91.05487	0.4
93.07038	0.5
94.85096	0.2
95.04945	0.5
95.08598	0.5
98.98472	3.2
104.10735	2.3
105.07027	0.3
107.08613	0.3
109.06534	0.4
109.10207	0.3
119.08583	0.3
121.10136	0.2
125.00009	19.5
129.06953	0.2
131.08536	0.3
133.10201	0.4
135.11681	0.2
145.10208	0.2
158.95100	0.2
159.11858	0.2
163.03954	0.3
181.05043	0.7
184.07344	100.0
185.07698	1.0
233.15820	0.2
291.19641	0.3
394.96838	0.2
482.33353	0.3
692.45465	8.3
693.45496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29898	0.4
55.01863	1.0
55.05503	1.8
57.03438	2.2
61.02928	4.1
66.53384	0.4
67.05508	1.7
69.03432	2.6
69.07092	0.8
71.01358	0.5
71.05007	1.0
73.02911	3.1
79.05494	2.9
80.42683	0.5
81.03410	4.0
81.07052	2.3
83.01340	0.7
83.04993	1.1
83.08619	1.2
83.14812	0.5
85.02913	4.0
87.92022	0.4
88.61228	0.4
91.03960	2.9
91.05480	1.8
93.07055	2.9
95.04990	1.5
95.08608	1.0
97.02887	4.2
98.22586	0.7
99.04498	0.8
101.02368	2.2
105.07030	1.5
107.04986	1.6
107.08563	2.2
109.02867	0.7
109.06544	1.2
109.10150	0.4
111.08092	0.6
115.03933	0.4
117.07026	0.6
119.08589	1.5
121.10159	1.6
123.08073	1.2
127.03932	1.7
131.08620	1.0
135.11714	2.0
145.10130	2.4
147.11705	0.5
153.12767	0.7
163.11182	4.3
185.04251	0.6
186.38506	0.6
243.08479	1.8
249.11150	0.6
267.15848	1.0
268.16357	0.7
274.27539	1.3
283.15506	1.4
285.16125	0.5
352.05200	0.5
460.27838	0.9
467.18890	12.7
468.19290	0.6
477.28241	0.5
478.28894	1.3
496.29822	0.9
693.30890	100.0
694.31195	8.4
706.66260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01871	1.0
55.05512	1.7
57.03432	2.2
58.48429	0.3
59.04985	0.3
61.02924	3.4
62.77176	0.3
67.05506	3.6
69.03431	2.0
69.07080	1.1
71.01351	0.4
71.05003	1.2
72.73750	0.3
73.02923	2.7
73.47855	0.3
79.05496	4.0
81.03416	4.9
81.07055	3.2
82.86115	0.3
83.01373	0.4
83.04986	1.4
83.05433	0.4
83.08629	2.0
85.02905	3.8
91.03957	2.0
91.05472	2.6
92.06283	0.3
93.07047	4.2
95.04978	2.2
95.08604	1.7
97.02896	2.7
97.06536	0.7
97.10178	0.6
98.23441	0.6
99.04461	0.8
101.02409	1.5
105.07018	1.6
107.04969	1.4
107.08604	3.1
109.02854	0.5
109.06541	0.6
109.10137	0.7
111.04477	0.4
111.08104	0.9
117.06290	0.4
117.07065	1.1
119.08580	1.9
121.06517	0.7
121.10126	1.5
121.56554	0.3
121.87231	0.3
123.08104	0.5
123.21616	0.3
127.03941	1.0
129.06932	0.7
129.45251	0.4
131.08585	0.5
133.10147	1.0
135.08073	0.4
135.11699	4.4
137.09630	0.4
145.04950	0.4
145.10130	2.6
147.11748	0.4
153.12682	0.3
163.11183	6.4
163.12442	0.6
175.49890	0.3
181.12297	1.1
185.04318	0.5
193.12302	0.9
209.11823	0.5
219.09952	0.6
227.12733	3.6
243.08287	2.1
249.10989	8.3
255.15906	2.0
267.15912	2.7
283.15430	0.9
305.13776	1.6
421.25775	0.6
422.61273	0.4
447.27356	4.8
460.28287	0.5
467.18863	17.7
468.19345	1.1
477.28479	0.4
478.28619	0.7
495.29099	0.8
496.29242	0.4
503.46533	0.4
560.18066	0.4
693.30853	100.0
694.31250	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	693.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05510	1.1
57.03431	1.6
59.77314	0.5
61.02926	4.5
67.05508	3.2
69.03441	1.7
69.07055	0.8
71.04987	0.6
71.79552	0.3
73.02918	3.1
73.46540	0.4
74.14713	0.4
78.40652	0.4
79.05494	3.5
81.03414	4.3
81.07055	2.8
82.03766	0.4
83.05000	1.2
83.08636	1.3
85.02903	5.4
87.02814	0.4
87.04466	0.6
91.03946	2.8
91.05473	3.4
93.07040	2.6
95.04971	1.6
95.08620	1.2
97.02905	2.9
97.06545	0.4
99.04440	0.7
101.02409	1.3
105.07034	2.6
107.04978	0.9
107.08585	1.2
109.02888	0.6
109.06509	0.7
109.10178	0.5
111.08132	0.6
119.08603	1.5
121.02871	3.6
121.10158	0.8
123.08138	0.5
127.03931	1.1
129.07008	1.0
131.08601	0.5
133.06522	0.6
133.10143	1.5
143.08549	0.4
147.11748	1.3
157.10182	1.0
161.13263	0.5
171.11736	0.7
175.11238	0.5
185.04243	0.4
191.07143	0.5
193.12259	1.6
211.13403	1.2
243.08380	2.1
247.13147	1.5
251.12651	0.8
267.15903	0.8
460.28207	1.0
465.20932	4.9
469.20410	8.6
470.20490	0.6
478.28546	0.5
495.68405	0.4
496.30396	0.5
550.98566	0.5
640.33887	0.5
693.34528	100.0
694.34924	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	693.346
Annotation	Jaspamide P
Peak:m/z	Relative Intensity
52.29854	0.5
53.03963	1.0
53.40762	0.7
55.01871	0.6
55.05514	1.5
57.03446	1.5
61.02934	3.4
61.80045	0.6
64.83690	0.5
65.64835	0.5
67.05507	4.4
69.03441	2.2
69.07069	1.2
69.32085	0.5
70.66930	1.1
71.05013	0.8
73.02925	2.7
79.05501	4.3
81.03426	4.0
81.07060	4.4
83.04996	1.4
83.08640	2.0
85.02901	3.6
91.03972	2.2
91.05473	4.7
93.07056	4.0
95.04960	2.7
95.08640	1.7
97.02917	4.3
97.06568	0.9
99.04454	0.6
101.02419	1.0
105.07047	3.6
107.08612	1.9
108.72541	0.6
109.02877	1.4
109.10182	1.6
111.08109	0.7
117.07053	0.8
119.08630	1.9
121.10165	1.0
127.03935	1.3
129.07059	1.6
131.08583	0.7
133.10132	0.9
135.11792	0.7
143.86261	0.6
147.11719	2.5
149.02357	3.0
149.03467	0.6
156.04747	0.6
157.10141	0.6
161.13324	0.6
171.11804	1.4
175.11247	0.9
193.04932	2.7
193.12358	1.8
211.13359	1.3
237.07629	0.8
243.08488	1.8
250.18414	0.7
251.12572	3.8
274.27740	0.7
277.38559	0.6
281.17584	0.6
290.27182	0.7
303.15710	0.8
307.14905	0.8
419.94254	0.6
465.21017	6.8
466.21320	1.1
467.19043	0.6
469.20432	6.5
531.29706	0.6
541.66455	0.7
551.37988	0.6
607.07471	1.2
653.40698	0.7
675.96930	0.7
693.34521	100.0
694.34747	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	693.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.2
56.05051	0.1
59.01111	0.1
67.05509	0.2
68.05041	0.1
69.03440	0.4
69.44883	0.6
70.06599	0.7
79.05488	0.7
81.07056	7.8
82.06585	0.6
82.07371	0.1
83.07359	0.4
84.08144	8.2
87.04932	0.1
95.08617	0.1
96.08131	16.2
97.08924	4.0
98.09743	0.1
98.22659	0.2
98.42347	0.1
109.06525	3.2
110.08955	0.2
110.09685	3.7
111.10483	0.2
122.09679	0.2
123.04421	0.1
124.11246	0.3
124.47893	0.1
136.11232	0.4
137.05980	14.5
137.11992	0.6
138.06281	0.3
138.12782	3.7
139.13573	2.9
140.14368	1.1
147.11732	0.1
162.48289	0.1
164.14365	1.1
166.15967	0.2
248.20068	0.2
258.18643	0.2
276.19580	100.0
277.19922	5.2
303.04517	0.1
418.22333	1.2
496.72559	0.2
537.88470	0.1
683.43231	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	693.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05547	0.1
52.39766	0.2
57.87282	0.1
68.05038	0.3
69.03458	0.2
69.56039	0.2
69.56416	0.3
70.06606	0.8
79.05498	0.5
81.07058	5.9
82.06588	0.6
83.07346	0.4
84.08144	6.7
93.07048	0.2
95.04986	0.1
96.08132	13.7
97.08347	0.3
97.08918	4.2
98.09739	0.3
109.06520	2.3
110.09686	3.7
122.09675	0.4
124.11244	0.6
130.43419	0.1
136.11224	0.3
137.05981	11.0
137.11977	0.8
138.06303	0.3
138.12782	4.5
139.13574	2.2
139.55484	0.1
140.14352	0.7
150.12721	0.1
164.14355	4.1
166.15944	0.2
170.09848	0.2
188.14354	0.2
247.20706	0.1
248.20122	0.3
258.18546	0.3
276.19580	100.0
277.19934	5.3
487.13004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16330	0.2
52.58453	0.2
55.01880	0.3
55.05274	0.2
55.05511	0.6
56.05022	0.6
57.14661	0.2
64.36630	0.2
67.05507	1.2
69.03425	0.5
69.07063	0.5
69.83910	0.2
70.06595	1.1
73.41280	0.2
79.05492	1.2
80.05016	0.3
81.07062	2.2
82.06590	0.3
83.86420	0.2
84.08141	1.5
84.85534	0.2
86.06075	0.2
86.09692	0.3
90.74450	0.2
91.05478	0.5
93.07049	1.7
94.06560	0.4
95.04984	0.2
95.08597	1.6
96.08141	1.0
98.09703	0.2
99.04465	0.2
100.07610	0.3
105.07018	0.7
107.08572	1.0
108.08131	0.3
109.10129	0.5
110.09673	0.8
112.07605	0.2
119.08602	0.5
120.08104	0.4
121.10130	0.4
122.09661	0.5
123.11684	0.2
124.11216	0.3
125.06021	0.3
128.07037	0.2
131.08525	0.4
133.10117	0.2
135.11742	0.2
136.11226	0.5
138.12749	0.5
142.08609	0.7
148.11169	0.3
149.13211	0.2
150.09131	0.7
150.12813	0.2
156.10156	0.2
159.11702	0.3
162.12794	0.2
167.07019	0.3
168.10191	0.7
176.14302	0.3
178.15921	0.3
182.11752	0.2
187.14694	0.2
190.15985	0.2
191.16309	0.2
204.17500	1.8
210.14966	0.3
222.14896	1.2
236.16472	1.0
237.07782	0.2
250.21919	0.3
276.19592	2.3
278.21136	100.0
279.21463	4.3
320.36655	0.2
324.80280	0.2
358.55936	0.2
416.20737	0.5
481.96832	0.3
630.23718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23276	0.2
68.04439	0.2
68.05031	0.2
69.89001	0.5
70.06594	0.8
75.65787	0.2
79.05484	0.7
80.64634	0.1
81.07059	6.2
82.06575	0.4
83.07345	0.5
84.08143	6.3
91.05466	0.2
96.08129	13.1
97.08340	0.3
97.08915	4.2
98.09739	0.2
109.06524	2.4
110.08959	0.3
110.09682	3.5
111.04406	0.2
122.09665	0.5
124.11198	0.4
136.11174	0.5
137.05975	10.9
137.12016	0.7
138.12778	4.4
139.13562	2.4
140.14363	0.9
164.14352	3.5
202.15924	0.3
243.88126	0.2
258.18475	0.3
276.19577	100.0
277.19901	5.2
277.22260	0.1
328.23767	0.2
364.23239	0.2
374.23035	0.2
418.22226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14000	0.3
55.05507	0.9
65.03949	0.3
67.05508	0.4
68.05029	1.4
69.03429	3.2
69.07066	1.5
70.02960	8.2
70.06602	1.8
71.05003	1.8
77.03940	0.7
79.05484	0.8
80.05025	0.7
81.03418	0.7
81.07055	0.9
82.06579	1.3
83.04979	0.7
84.08172	0.6
85.02889	0.9
85.04038	0.4
86.09710	64.1
87.04475	0.7
87.05599	3.6
87.10032	0.8
91.05476	2.9
93.07042	2.9
94.06586	1.8
95.04963	1.7
95.06075	1.1
95.08598	0.7
96.04488	1.5
96.08144	1.0
97.02882	1.0
97.17746	0.3
98.06059	12.4
98.23528	0.5
99.04465	3.4
103.05474	8.8
104.05041	0.4
105.04545	0.6
105.07030	3.7
106.06552	0.5
107.04945	0.8
107.08594	0.5
109.10145	1.0
109.14666	0.4
110.06051	2.8
111.05626	0.3
113.03482	2.5
113.07111	0.5
114.01885	0.5
114.05511	0.7
115.03915	0.8
115.05458	0.7
116.07101	4.8
117.07046	0.7
118.06538	0.7
119.08594	0.4
120.04546	0.8
120.08109	100.0
121.06516	0.6
121.08459	1.9
121.10151	0.6
122.06044	3.8
123.04403	0.4
124.03961	0.4
124.07572	1.0
125.03491	3.1
127.03864	0.4
129.07010	0.6
130.06535	1.6
131.04938	2.2
131.08620	0.3
132.04459	8.7
132.05460	0.5
132.08110	1.8
133.02882	0.4
133.05162	1.2
133.06509	0.4
133.10129	0.6
134.06024	6.7
135.08008	0.4
136.07574	1.2
137.06133	0.4
137.07130	1.0
137.09586	0.4
138.05469	2.7
138.09096	0.4
138.12769	1.2
139.05020	1.1
139.08644	0.7
140.07111	0.6
142.05006	1.9
143.04994	0.5
145.04900	0.4
145.06485	0.4
145.10139	0.8
146.06012	1.5
146.09644	0.4
147.05443	0.6
147.11658	0.9
148.03947	0.4
149.07127	0.9
150.05505	3.0
155.11789	0.8
158.04695	0.7
158.06017	13.5
159.11732	0.5
160.03937	0.4
160.07613	2.7
162.05447	1.0
163.03830	0.4
163.05029	0.7
163.08708	0.4
164.03392	1.0
165.06613	2.1
165.10303	0.8
166.05023	3.6
166.12325	2.7
167.06886	0.4
167.08235	1.8
168.06572	1.9
170.09674	1.0
172.11208	0.4
173.09628	0.7
175.08739	0.4
176.07083	1.2
177.06601	0.9
178.05005	7.4
179.05774	1.7
180.06606	0.4
181.06206	0.4
181.09714	2.7
183.07729	0.7
184.03954	0.4
184.07484	0.4
184.13336	2.3
185.09241	5.0
186.05542	2.5
187.11159	0.7
188.14349	2.4
189.09079	0.8
190.05017	0.9
191.04576	0.6
191.08168	0.6
192.02919	2.0
193.06064	3.7
194.04538	3.0
198.12486	0.5
200.10678	1.4
201.06642	1.7
203.08144	1.0
203.18022	0.7
204.06546	3.4
205.06116	1.0
205.12083	0.7
209.05585	1.9
210.04041	0.6
210.09294	0.4
211.07132	4.4
211.14560	0.4
212.03563	0.4
212.05573	1.2
214.05009	0.7
215.10612	0.8
218.11717	0.5
220.02484	1.6
221.05699	0.6
221.12944	0.6
229.06119	1.8
230.04448	0.9
231.07559	0.4
233.11372	0.4
233.12856	1.3
233.16513	1.6
235.14424	0.4
237.05055	1.1
238.03380	0.4
238.08588	0.6
239.13867	0.8
247.07182	3.2
249.04993	1.1
249.12221	0.4
250.15392	0.4
253.09680	0.8
254.09329	0.5
255.06154	6.6
255.11172	1.2
259.14429	1.1
261.12350	3.3
261.15915	1.2
263.13779	0.5
275.06619	0.8
276.13367	0.6
277.08954	0.4
277.11798	0.8
278.14957	2.0
279.13297	3.6
281.09149	1.0
283.10754	1.0
289.12134	0.7
289.15433	1.4
292.09656	0.4
296.16138	2.9
298.08276	0.5
299.10373	0.6
301.11880	3.3
305.11163	1.6
306.14407	1.4
308.18436	0.5
310.11700	0.6
313.10495	0.5
319.12762	1.0
322.14011	3.5
323.12381	3.6
324.12210	0.4
324.15594	5.2
326.11316	1.1
327.09610	2.4
327.13373	3.3
331.19998	1.0
340.15048	4.5
343.12814	0.8
345.10617	0.4
346.14059	0.4
350.13361	1.4
354.10718	0.6
360.15610	0.7
362.13425	2.4
368.14468	4.7
372.11896	4.0
377.18103	1.4
388.15131	0.5
405.18066	0.4
406.12317	0.8
412.18512	0.6
422.13525	0.4
431.22635	1.0
444.87967	0.4
457.20786	6.0
458.20160	0.7
474.18643	0.4
475.21896	25.6
476.22205	1.7
485.20480	1.8
501.19751	9.8
502.19226	1.2
503.21506	3.9
509.20059	0.8
518.19080	3.8
519.20856	11.1
520.21112	0.7
529.19061	0.7
535.21814	1.7
547.20294	2.3
603.24493	0.6
604.26721	1.2
622.28595	3.9
632.27020	0.5
650.27258	1.1
694.26990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80595	0.6
51.02383	0.9
53.03949	2.5
55.01872	2.8
55.05517	12.0
57.03441	4.0
57.07070	3.4
59.04989	1.2
61.02925	4.5
65.03936	2.6
67.05505	34.2
68.05838	0.7
69.03432	15.8
69.07069	18.8
69.69292	0.7
71.01347	0.7
71.05001	2.9
71.46769	0.6
73.02917	3.9
77.03924	1.2
79.05492	15.4
79.97005	0.6
80.23759	0.7
81.03422	10.1
81.07059	50.2
82.07375	1.1
83.04980	3.5
83.08625	7.3
85.02906	43.7
85.06548	18.7
86.09702	0.6
87.04473	10.3
87.92254	0.8
89.74854	0.6
91.03967	3.6
91.05481	24.2
91.06056	1.4
93.07047	69.3
94.07333	0.9
95.04967	6.6
95.08608	52.3
96.08136	0.6
96.08942	1.0
97.02265	0.9
97.02900	15.5
97.06512	1.1
97.10184	2.3
99.04475	3.9
99.05020	0.7
99.08078	0.8
101.02350	0.9
103.03954	1.4
103.05466	1.7
105.04513	2.6
105.07033	59.7
106.07322	0.7
107.04927	1.0
107.08596	53.9
108.08931	1.2
109.02884	6.5
109.06528	3.6
109.10159	93.8
110.10487	2.2
111.04433	0.7
111.08086	6.7
111.11715	1.5
115.03934	41.3
117.07014	3.6
117.24661	0.9
119.08582	55.7
120.08105	1.3
121.06509	2.2
121.10152	47.4
122.10468	0.7
123.08035	1.0
123.11703	16.0
123.12524	1.4
125.09634	2.1
127.03912	23.0
129.07010	0.9
131.08582	3.0
133.04971	19.6
133.06522	1.9
133.10132	28.0
135.04362	0.8
135.11696	49.7
136.12009	1.2
137.05972	1.2
137.09641	0.8
139.11162	1.5
141.07030	0.8
143.08556	1.4
144.08055	1.6
145.04964	27.1
145.10143	7.2
147.11688	63.9
148.12180	1.1
149.09682	0.9
149.13234	2.8
151.11206	1.1
155.08554	0.8
157.04985	1.5
159.08018	0.9
159.11694	4.1
160.12498	1.1
161.13263	17.4
163.06042	4.1
163.11188	1.7
163.14856	1.2
165.12801	1.0
167.07085	3.6
173.06062	0.9
173.09596	4.3
173.13217	1.4
175.14828	6.3
177.09184	0.8
187.07503	0.9
187.11169	2.9
189.09148	1.2
189.16385	1.1
199.14938	0.8
203.17952	100.0
204.13817	1.1
204.18285	2.8
205.12271	1.9
215.10617	3.9
220.20702	1.2
221.18980	6.1
233.11623	3.8
241.07108	1.3
242.12567	0.8
247.13100	0.7
256.17056	1.2
259.08154	6.5
277.09201	25.3
329.21021	1.5
347.21988	1.3
365.23218	1.5
388.20999	2.8
389.21179	1.0
402.20660	2.3
402.70782	2.8
403.21399	2.3
416.20432	1.0
417.15091	1.0
418.15637	1.0
443.28189	1.2
461.28723	2.7
472.30557	1.6
490.31400	1.0
504.32132	0.8
515.34857	1.3
533.35608	1.4
634.35767	0.8
677.39130	2.9
694.40582	1.2
695.41229	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	694.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	1.2
55.05509	8.2
57.03447	4.4
57.07073	2.3
57.29937	0.8
58.98623	0.8
61.02637	1.3
61.02932	24.5
65.03920	1.6
67.05508	55.2
68.11502	1.0
69.03422	3.6
69.07066	9.8
71.04991	2.1
71.08607	1.1
73.02920	10.1
75.04479	1.1
77.03891	0.9
79.05041	1.9
79.05496	33.5
81.03413	1.3
81.07059	61.8
83.04980	1.5
83.08624	5.2
84.10151	0.9
85.02910	30.7
85.06520	1.5
91.03376	1.3
91.03958	26.1
91.05483	16.4
93.06441	1.6
93.07045	44.4
95.04965	2.6
95.08612	50.3
97.02894	15.4
97.06535	1.6
97.10184	2.6
99.04444	2.1
99.08083	2.0
103.03947	1.0
105.07028	12.7
107.08600	30.8
109.02877	1.4
109.06550	1.4
109.09416	1.8
109.10160	30.6
111.08118	1.4
113.09621	1.0
115.03920	1.2
117.07008	8.3
119.08592	12.6
121.10152	31.8
123.08078	1.1
123.11723	15.5
124.11988	0.9
125.09631	1.3
127.03915	9.0
131.08572	16.2
132.08852	1.3
133.10132	11.2
135.11700	25.5
137.09586	1.6
137.13271	6.7
139.11240	1.3
145.04976	13.6
145.10130	12.3
145.62480	1.0
146.10434	0.9
147.11690	10.6
148.11943	1.0
149.13264	18.4
151.11145	1.5
151.14801	2.1
153.12735	1.4
159.11720	11.9
161.13266	10.5
163.06024	24.9
163.14818	15.1
165.12791	4.2
173.13271	13.6
175.14842	3.9
177.12750	1.0
177.16406	6.4
179.14317	2.2
187.14830	10.0
191.14308	1.0
201.16425	2.4
205.15854	1.9
215.17970	1.8
219.17363	1.0
220.11333	0.9
223.16969	1.0
233.22656	2.2
243.18575	1.8
243.21083	32.9
244.21300	1.0
261.22144	100.0
262.22522	4.3
263.23816	1.2
273.20584	1.0
279.23260	2.4
283.18521	1.0
333.73712	0.9
335.25812	15.4
353.26883	59.2
354.27258	2.2
497.31531	1.3
633.09827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01873	3.9
55.05507	18.1
57.03442	14.9
57.07062	1.8
59.04992	4.3
61.02922	10.1
61.12523	1.0
65.03933	3.8
67.05505	100.0
68.05837	1.7
69.03426	7.9
69.07067	13.5
71.01347	1.7
71.04993	30.9
73.02920	4.1
79.05494	37.4
81.03416	57.1
81.07055	47.1
82.03737	1.3
83.04982	15.3
83.08621	25.2
85.02901	29.6
85.06531	6.7
88.40906	1.2
91.03958	3.0
91.05475	45.4
93.07044	36.1
94.07384	2.7
95.04967	27.1
95.08602	26.1
97.02887	9.0
97.06540	8.4
97.10155	7.1
98.22637	2.6
99.04478	2.4
99.08078	3.0
105.04507	2.1
105.07033	25.2
107.04959	8.6
107.08598	21.2
109.02856	1.3
109.06519	7.9
109.10155	64.7
111.04443	2.7
111.08084	10.8
111.11711	1.6
113.06019	2.0
116.06150	1.0
117.07007	4.3
119.08584	30.9
121.06493	4.2
121.10139	13.9
123.08068	2.8
123.11721	2.7
125.09622	3.2
127.03899	2.7
129.07014	10.4
131.08563	12.3
133.06500	3.8
133.10130	11.1
135.08049	2.8
135.11690	16.4
137.09633	12.0
142.07762	3.9
143.08588	1.5
145.10123	7.9
147.08038	3.7
147.11679	12.9
149.09621	6.5
151.11223	2.1
155.10667	4.4
157.10092	14.7
163.11166	7.1
165.12733	4.1
173.11726	8.9
174.20653	1.5
175.11188	16.0
181.12248	4.8
184.07338	1.8
187.13403	1.2
193.12251	34.4
194.12567	2.3
197.13287	1.3
211.13281	39.8
212.13605	1.4
227.12849	1.7
229.14415	3.7
239.16443	2.0
243.08420	1.6
243.15887	3.1
251.12566	1.6
253.14389	1.3
255.15913	16.8
267.15903	20.0
268.16229	2.6
269.17410	1.9
283.15430	1.9
285.16931	24.4
286.17386	1.9
287.18542	23.1
329.21298	1.4
375.29092	1.6
393.30014	1.9
403.24628	3.7
411.25772	1.5
411.30878	7.9
421.25879	27.9
422.25818	1.7
439.26901	78.2
440.27222	3.4
447.27454	48.1
448.27582	2.6
453.28461	9.8
461.28812	6.4
465.28494	66.0
466.28665	3.9
467.18845	5.2
469.20178	5.1
479.30032	7.6
496.29544	1.5
497.31015	63.7
498.31342	3.5
641.34998	2.8
648.40594	2.7
694.31073	16.2
695.32361	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.6
55.01854	1.7
55.05515	7.9
57.03436	12.0
57.07055	0.8
61.02902	2.2
65.03913	0.6
67.05507	28.5
69.03429	2.5
69.07069	8.5
71.01353	2.9
71.04987	3.4
73.02902	1.1
73.32862	0.5
79.05495	26.4
81.03419	43.8
81.07059	14.3
83.04985	7.2
83.08622	10.9
85.02888	2.9
85.06519	2.0
87.04405	0.5
87.33375	0.5
91.03929	1.2
91.04947	1.0
91.05480	13.6
93.07049	24.9
93.91871	0.6
95.04970	15.2
95.08601	5.3
96.05301	0.5
97.02924	2.9
97.06538	6.6
97.10169	7.2
99.04420	1.2
99.08070	1.5
103.05431	0.8
103.51888	0.5
105.04498	1.1
105.07037	8.4
107.04948	4.5
107.08595	17.4
109.06477	2.2
109.10142	4.0
111.04401	1.2
111.08086	5.2
113.05991	0.6
115.05459	0.8
117.07017	3.1
119.08594	10.3
121.06528	3.1
121.10156	6.3
123.04364	0.6
123.08089	0.9
123.11722	0.7
125.09584	1.7
129.06998	3.8
131.08594	3.7
133.06480	1.5
133.09320	0.5
133.10147	4.5
135.08049	1.1
135.11693	34.0
136.12013	1.0
137.09578	1.9
139.07535	0.5
142.07726	0.6
143.08490	0.9
145.10127	6.7
147.08028	1.5
147.11661	4.1
149.09589	2.3
151.11235	0.6
153.12733	1.2
157.10135	7.0
163.11166	5.1
165.12775	1.3
175.11188	4.6
181.12238	6.1
193.12251	12.5
211.13312	1.9
213.01726	0.4
214.53276	0.5
223.13336	0.6
230.11494	0.5
231.13791	0.6
237.14816	0.8
243.08377	1.3
249.14850	1.2
251.12596	0.8
255.15918	68.1
256.16269	2.7
267.15915	36.0
268.16263	1.4
299.16196	0.5
309.16962	0.6
320.83151	0.5
329.21170	0.8
355.22809	0.6
403.24625	1.6
421.25839	7.0
422.26340	0.7
447.27432	100.0
448.27734	6.7
465.28464	4.3
467.18921	2.9
469.20297	3.3
479.29965	0.6
489.28635	1.4
497.31064	1.2
516.67181	0.5
555.29291	0.7
595.93176	0.6
687.44464	0.6
694.31525	4.4
695.32336	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	695.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05034	4.4
57.03432	0.5
67.05495	2.0
69.03425	1.7
69.04553	6.4
69.07047	0.6
69.97437	0.6
69.97771	1.5
70.06603	1.2
80.01375	0.8
81.04541	1.7
82.06577	5.6
84.08141	72.4
85.02402	0.5
85.02915	1.8
85.08495	1.1
86.09705	9.9
87.04457	0.6
93.04516	0.6
94.06557	4.2
95.02443	11.8
95.04944	0.6
96.08133	1.6
97.02887	2.4
97.08919	1.7
98.06081	1.2
99.00874	0.5
99.04427	0.9
99.09214	1.4
102.09190	0.5
106.04030	1.8
106.06544	1.1
107.02431	2.6
108.04485	0.6
108.05619	1.9
108.08121	0.7
109.04022	0.7
110.06030	1.2
112.75122	0.5
113.03485	15.5
113.04229	1.0
120.08128	0.7
121.07637	2.0
122.06002	0.6
123.09188	1.5
126.09171	1.3
127.03920	0.7
132.05560	0.7
132.10271	1.1
134.03525	1.0
134.09659	1.2
136.05055	6.5
148.05096	1.3
149.07133	1.5
151.08661	25.1
151.12297	2.9
153.10300	0.7
161.04575	1.0
162.02982	72.6
162.09164	1.0
163.03392	1.1
167.08098	0.8
174.10352	1.1
176.04561	0.6
177.06604	4.4
178.08589	0.6
179.05640	2.9
179.08078	0.6
179.11772	3.8
180.04036	38.3
180.10170	8.0
181.04405	0.6
188.04593	1.8
195.07648	12.5
197.12833	5.2
199.09805	1.1
200.08183	4.9
201.11386	4.6
202.09769	5.6
207.11281	0.8
210.11208	1.1
215.09329	2.0
217.10901	2.2
219.12563	0.7
227.09294	0.9
229.10870	4.8
243.08778	9.7
245.07790	1.0
245.10338	20.1
247.11899	41.3
248.12291	1.0
261.09714	3.5
263.11539	1.9
269.13751	0.5
275.11508	1.2
293.12433	58.0
294.12747	1.7
297.13480	0.9
313.13077	1.2
314.16211	1.3
315.14490	2.1
323.11414	1.9
323.16275	0.6
328.17773	2.0
330.15643	0.6
330.19287	1.6
340.13986	1.4
341.12518	1.0
358.14996	2.6
359.13232	1.1
359.17249	1.8
374.18195	11.4
376.16006	5.0
376.19980	26.2
377.20377	1.2
425.23099	0.9
426.21698	0.9
443.24301	1.3
454.20880	1.3
454.77322	0.6
461.24979	0.9
470.20605	0.8
471.23505	19.4
472.21967	9.7
489.24539	100.0
490.24884	5.9
502.23514	0.7
533.23737	1.6
539.25702	0.9
615.27631	1.8
651.29913	7.6
695.28564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3249
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03943	0.4
55.01877	0.4
55.05504	1.0
57.03437	1.3
60.21222	0.2
61.02929	3.5
66.07462	0.2
67.05505	1.8
69.03426	2.0
69.07069	0.5
71.01360	0.4
71.04996	0.6
73.02917	2.9
74.34337	0.2
79.05496	1.6
81.03418	3.7
81.07059	1.7
83.01324	0.3
83.04988	0.9
83.08628	0.9
85.02901	4.9
87.04472	0.5
91.03960	2.6
91.05479	1.8
93.07037	1.9
95.04962	1.2
95.08619	0.6
97.02894	3.4
97.06555	0.4
99.04457	0.9
101.02344	1.2
101.76001	0.2
105.07003	1.2
106.07325	0.2
107.04974	0.6
107.08622	1.0
109.02853	0.4
109.06517	0.5
109.10165	0.3
111.04469	0.3
111.08105	0.4
113.06056	0.3
115.03976	0.3
117.06984	0.3
119.08586	1.6
121.10159	1.0
123.08073	0.6
127.03928	1.3
129.07021	0.5
131.08578	0.7
133.10150	0.7
135.11732	0.7
145.10136	1.1
147.08115	0.3
147.11720	0.9
149.09641	0.3
157.10158	0.5
158.67931	0.2
163.11174	1.8
173.09741	0.3
175.11235	0.6
185.04187	0.6
193.12231	1.2
203.05359	0.3
211.13335	0.4
229.48370	0.2
243.08472	2.0
249.11110	0.4
251.12639	0.9
283.15509	0.6
307.15381	0.4
326.49741	0.3
462.29068	0.3
467.18860	5.9
469.20413	5.9
470.20752	0.3
502.85568	0.2
695.32434	100.0
696.32806	6.4
705.09503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03340	0.3
53.03939	0.6
55.01874	0.7
55.05515	0.9
57.03444	1.7
61.02923	3.3
67.05501	2.3
69.03431	2.1
69.07075	0.6
69.49951	0.7
69.50344	0.6
71.01338	0.3
71.04980	0.6
73.02913	2.4
79.05492	2.2
80.05832	0.4
81.03415	4.2
81.07050	3.0
83.04981	0.9
83.08623	1.3
85.02903	4.5
89.86253	0.3
91.03953	2.0
91.05492	2.0
93.07027	2.7
94.07336	0.3
95.04970	2.2
95.08120	0.3
95.08599	2.0
97.02889	2.8
97.06515	0.6
97.82322	0.3
98.23432	0.7
99.04468	1.0
101.02398	1.4
103.03947	0.4
105.07024	1.6
107.04959	0.8
107.08619	1.1
109.02882	0.5
109.06546	0.5
109.10147	0.4
111.08097	0.9
117.07032	0.7
119.08562	1.5
121.10149	1.3
123.11678	0.3
126.82553	0.3
127.03928	1.3
129.07037	0.8
131.08589	1.1
133.06500	0.4
133.10158	1.0
135.11688	2.4
139.07504	0.4
145.10136	1.3
147.11711	0.9
157.10121	0.6
163.11174	2.8
175.11162	0.6
193.12289	1.4
211.13350	0.8
219.09898	0.4
227.12808	2.5
243.08415	2.5
249.10966	8.0
250.11345	0.4
251.12576	0.7
285.17065	0.5
305.13672	1.3
307.15167	0.7
394.62869	0.4
395.04959	0.3
467.18878	8.0
468.19449	0.6
469.20496	9.5
469.26779	0.4
470.20584	1.0
695.32416	100.0
696.32837	12.0
696.41791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03954	2.2
55.01867	3.4
55.05507	8.1
57.03432	3.4
57.07069	1.5
58.06594	1.6
59.05013	1.0
61.02929	13.6
67.05506	15.8
68.05826	1.7
69.03439	11.6
69.07069	7.5
69.92377	2.9
70.07406	1.2
71.05001	2.5
73.02916	9.5
79.05494	10.0
80.05019	1.9
80.05801	0.9
81.03420	7.6
81.07059	20.9
82.06599	2.0
82.07379	4.1
83.01345	0.9
83.04976	1.3
83.08623	3.7
84.08151	0.8
85.02904	22.3
85.06546	2.9
86.03233	1.5
87.04484	3.1
91.03967	6.2
91.05473	8.3
92.05835	3.0
93.07043	25.6
93.07599	1.5
94.06577	5.1
94.07377	4.7
95.04964	3.9
95.08608	20.4
96.05305	0.9
96.08153	0.8
96.08933	4.1
97.02892	11.0
97.06501	1.3
97.10178	2.1
98.23341	1.2
99.04505	1.7
101.02402	1.8
105.04543	0.8
105.07037	19.6
106.06673	1.6
106.07386	6.1
107.04989	1.4
107.08604	16.2
108.08125	3.7
108.08961	5.7
109.02893	3.4
109.06533	1.6
109.10160	25.5
110.10484	5.6
111.08099	3.4
115.03938	11.8
116.04303	1.8
117.07050	2.3
118.06576	2.2
119.08584	15.6
120.08123	8.3
120.08945	5.6
121.10144	12.0
122.09718	1.3
122.10500	5.4
123.08106	1.0
123.11707	4.5
124.12124	1.5
125.09657	2.2
127.03925	8.0
128.04303	0.9
129.07004	1.7
130.06546	2.6
131.08589	2.1
132.08086	6.0
133.04962	5.9
133.06548	1.6
133.09138	1.3
133.10120	8.9
134.09668	5.3
134.10524	2.5
135.04425	2.3
135.08141	1.1
135.11699	13.5
136.12030	4.1
143.08615	1.8
144.08072	17.4
144.09114	1.4
145.04977	6.2
145.08978	1.6
145.10144	4.2
146.09599	4.0
147.11684	17.5
148.12054	7.7
155.08614	1.0
156.08119	2.1
158.09625	4.8
159.10434	1.2
159.11751	1.1
161.13229	4.9
162.13731	2.1
163.06064	1.2
165.12807	1.3
167.06992	3.9
168.07469	1.5
170.09709	3.3
172.07732	0.8
172.11282	1.4
173.08301	0.9
173.09665	1.7
173.11978	0.9
174.12817	1.6
175.14905	2.5
181.04976	2.4
182.09694	0.9
184.07538	0.9
184.11240	1.9
185.11763	1.3
186.12752	1.5
187.11205	1.8
193.12259	1.0
203.17947	22.8
204.18314	14.9
205.08568	1.0
205.18661	0.9
206.15547	2.9
212.14365	0.9
215.10782	0.9
216.17581	1.2
221.18907	1.3
222.19324	1.2
224.16528	1.1
228.17426	1.7
230.15518	1.2
232.17030	3.6
233.11810	1.9
238.15938	1.1
242.15511	1.3
244.16968	5.2
246.18712	2.7
249.19608	4.0
256.16956	7.5
258.18558	1.5
259.08246	1.7
260.08612	0.9
262.18097	2.3
267.16147	1.4
268.17007	1.0
270.18549	2.2
277.09149	6.0
278.09448	4.7
286.18134	2.9
288.19577	1.9
298.17874	0.9
300.19617	0.9
304.19296	0.9
308.18704	1.1
312.19629	2.2
330.21005	1.4
352.26535	1.1
380.25983	3.7
398.26883	4.3
403.13937	0.9
405.29340	1.2
406.27280	1.0
416.27991	3.5
418.15707	1.3
419.16083	1.5
423.30121	3.7
434.29074	1.1
441.31061	1.7
454.29285	1.5
460.30661	3.8
470.29221	1.0
472.30551	21.2
473.31213	1.7
478.31525	1.0
480.31207	0.9
490.31696	15.5
491.32562	1.6
498.32245	6.3
514.32257	1.8
515.34863	14.2
516.33374	4.1
532.33630	2.3
533.35864	22.2
534.36224	1.1
575.37006	1.2
634.35950	3.5
641.37653	1.6
652.36682	4.0
659.38763	2.1
660.37579	5.3
677.40106	36.4
678.39374	4.2
695.41119	100.0
696.41498	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	695.412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01890	1.9
55.05515	5.7
56.05042	1.4
56.23354	0.6
57.03439	4.4
58.06606	2.1
61.02930	13.2
67.05504	8.8
69.03429	8.5
69.07082	2.9
70.06625	0.7
70.15306	0.9
70.15636	1.1
71.01375	0.7
71.05026	1.4
73.02918	8.1
79.05491	7.2
79.05897	0.8
80.05021	3.6
81.03416	7.0
81.07056	6.4
82.06598	2.5
83.04510	0.7
83.04989	1.2
83.08637	2.5
85.02907	11.0
85.06563	1.6
87.04462	1.2
91.03967	4.8
91.05501	4.4
93.07044	6.1
94.06572	5.5
95.04958	3.3
95.08616	6.6
96.08123	0.8
96.08942	1.0
97.02894	10.0
97.06545	1.5
97.10200	2.4
98.09679	0.6
98.23381	0.9
99.04471	1.2
101.02412	2.3
102.27827	0.7
105.07020	5.6
106.06607	1.8
106.07356	1.1
107.04969	1.1
107.07396	1.0
107.08578	4.7
108.08119	4.8
109.02929	2.1
109.06566	0.9
109.10164	6.2
110.10516	1.4
111.08080	1.1
115.03963	3.0
117.07064	1.7
118.06572	2.9
119.07391	0.9
119.08590	4.0
120.08113	9.8
120.08869	1.0
121.06516	1.4
121.10168	2.5
122.09707	2.0
122.10526	0.8
123.08096	0.9
123.11752	0.9
125.09645	1.8
126.64907	0.7
127.03956	2.8
128.06273	0.7
129.06998	1.5
130.06581	2.1
131.08583	1.8
132.08069	6.0
133.09033	0.9
133.10165	2.9
134.09642	6.6
134.10510	0.9
135.11739	3.0
136.11211	1.0
143.07385	0.9
143.08606	1.3
144.08084	18.8
144.09142	1.2
145.05014	1.2
145.08987	1.6
145.10178	1.7
146.09624	4.3
147.10565	1.4
147.11742	3.9
148.11261	2.0
149.09634	0.8
157.08923	1.3
158.09669	5.5
159.10449	0.8
159.11673	0.8
160.11269	2.5
161.13249	0.7
162.12785	0.9
170.09625	3.9
172.11305	2.1
173.09685	1.3
174.12808	1.4
182.09694	0.8
183.10484	1.4
184.07350	1.0
184.11359	1.8
186.12833	1.5
188.14418	1.2
190.15962	0.9
193.12308	0.9
196.11290	1.0
198.12863	1.4
199.13414	1.5
203.17999	2.3
204.13864	1.1
204.18385	2.4
205.12144	0.7
206.15396	3.3
209.83812	0.8
212.14485	0.7
214.15915	1.2
215.10794	1.1
216.17593	1.2
218.53857	0.7
224.14594	1.0
224.16618	1.6
226.15939	1.0
228.17642	1.0
230.15508	1.6
232.17091	2.5
233.11887	1.4
236.16429	0.9
238.15985	1.5
242.15533	2.0
244.16933	4.6
244.79620	0.7
246.18625	2.4
248.16579	0.7
249.19604	4.8
250.18213	1.3
254.15428	1.2
256.16949	8.9
260.16617	1.3
262.18213	2.1
270.18710	2.2
272.16492	1.1
274.17905	3.3
276.16211	1.3
277.09430	0.9
286.18115	2.4
288.19717	1.6
300.19574	1.5
308.18417	3.8
312.19586	1.5
348.22311	0.8
352.26465	1.0
366.23584	0.8
370.27496	1.0
380.25867	2.3
388.21454	0.9
398.26941	4.9
404.38275	0.7
405.29065	0.9
406.27170	1.0
416.28055	4.0
423.30115	5.0
441.31290	1.9
442.29572	1.2
454.29794	1.3
460.30777	2.9
472.30554	19.4
473.30505	1.3
490.31662	15.3
498.32187	5.4
515.34930	16.1
516.33545	3.8
532.33514	1.4
533.35815	24.0
533.43658	1.3
534.36102	1.7
557.35834	1.1
575.37152	1.3
616.35461	1.0
622.36261	0.8
634.35919	4.3
641.38239	1.0
651.35431	0.7
652.37140	4.0
659.39142	2.7
660.37775	6.3
661.38281	0.9
677.40070	40.8
678.40051	5.7
695.41217	100.0
696.41589	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	695.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05512	0.7
56.05032	0.4
61.52758	0.1
65.93081	0.1
67.05210	0.1
67.05508	1.2
68.99800	0.1
69.03413	0.5
69.07066	0.5
70.06593	0.9
71.04958	0.2
72.04514	0.3
78.03770	0.1
79.05492	0.7
79.62598	0.1
80.05025	0.2
81.07052	1.7
82.06580	0.3
83.04951	0.1
83.08625	0.2
84.08134	1.3
85.02914	0.1
88.02203	0.3
91.05469	0.5
93.07050	1.1
94.06510	0.2
95.04944	0.2
95.08596	1.1
96.08128	1.1
97.08410	0.1
97.08966	0.2
98.06055	0.2
98.09695	0.2
98.22616	0.2
99.04449	0.2
100.07622	0.2
102.03767	0.3
103.05439	0.2
105.07045	0.6
107.08588	0.6
108.08105	0.3
109.10151	0.5
110.09669	0.6
112.07580	0.3
115.08676	0.1
116.63392	0.1
117.06963	0.1
119.08561	0.3
120.08092	0.2
121.10122	0.3
122.09628	0.5
124.07577	0.2
124.11240	0.2
124.90656	0.1
125.05988	0.4
128.07071	0.4
129.06938	0.1
131.04916	1.0
131.06409	0.2
131.08574	0.2
132.04839	0.2
133.10092	0.3
134.09616	0.2
135.11685	0.2
136.11223	0.8
137.05969	0.3
137.11946	0.2
138.12784	0.5
142.08641	0.9
145.10133	0.2
146.06029	0.6
147.11690	0.2
148.11195	0.4
149.07443	1.4
149.13339	0.1
150.09143	0.5
150.12746	0.2
152.10728	0.1
153.06975	0.3
156.10225	0.1
157.06514	0.4
159.11731	0.2
162.12782	0.3
163.07530	0.4
164.10666	0.1
164.14342	0.1
168.10197	0.4
176.14362	0.3
178.05046	0.2
178.15913	0.3
181.06496	0.8
182.11742	0.2
185.05919	0.3
187.07521	0.2
187.14938	0.2
190.15860	0.2
199.07562	0.4
204.17480	2.6
209.05920	0.2
210.14853	0.6
213.05444	0.5
222.14885	1.5
227.07005	1.0
236.16461	0.8
237.05452	0.1
250.18018	0.1
250.21648	0.2
255.06514	6.8
256.06946	0.5
260.20035	0.2
261.12671	1.4
276.19598	1.6
277.19931	1.5
278.21130	100.0
279.21469	3.5
284.09323	0.1
308.18576	0.1
326.10239	0.4
403.13165	0.5
418.22305	0.2
459.16989	0.1
488.15280	0.2
565.18481	1.0
677.23639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05033	0.2
64.03910	0.1
67.05499	0.3
69.07057	0.2
70.06588	2.8
72.08118	0.1
79.05489	0.2
81.07048	0.4
82.06563	0.3
83.07349	0.3
83.08611	0.1
84.07678	0.1
84.08145	2.2
85.08421	0.1
91.05499	0.1
93.07042	0.5
95.08600	0.9
96.08125	1.2
97.08915	0.8
98.09671	0.4
98.22634	0.2
105.07039	0.2
107.08596	0.3
108.08086	0.2
109.06523	0.2
109.08928	0.1
109.10172	0.3
110.09687	1.3
111.10409	0.1
113.16096	0.1
120.08078	0.1
121.10126	0.3
122.09666	1.1
123.08047	0.3
124.11232	0.8
126.12775	1.2
133.10150	0.1
134.09589	0.2
135.11688	0.2
136.11218	1.4
136.95108	0.1
137.11990	1.6
138.12775	9.6
139.07545	0.2
140.14333	0.2
141.09108	0.2
150.12764	0.4
152.14334	0.5
162.12790	0.3
163.13531	0.1
164.14363	0.1
166.15866	0.7
175.11194	0.2
176.14319	0.6
177.15118	0.3
178.15916	0.4
180.17441	0.3
180.89149	0.1
186.16251	0.1
190.15837	0.1
191.16794	0.1
204.17537	0.2
205.18272	0.1
232.20552	0.2
250.21651	1.2
260.20233	0.2
278.21133	100.0
279.21472	5.2
418.22397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75148	0.1
55.05529	0.2
56.05040	0.2
65.23075	0.1
67.05506	0.4
68.05029	0.2
69.03423	0.1
70.06233	0.2
70.06593	3.1
79.05498	0.3
81.07049	1.0
82.06598	0.3
82.07377	0.2
83.07367	0.3
84.08141	2.9
85.08484	0.2
93.07058	0.3
94.06586	0.1
95.08620	0.9
96.08133	2.8
97.08421	0.2
97.08939	1.0
98.09705	0.2
98.22717	0.4
105.07018	0.2
107.08559	0.3
108.08099	0.2
109.06508	0.5
109.10152	0.1
110.08976	0.2
110.09684	1.7
119.83742	0.1
121.10116	0.2
122.09663	1.1
123.08076	0.4
123.10397	0.2
124.11242	0.9
126.12791	1.1
130.16328	0.1
131.04944	0.1
133.10088	0.2
134.09659	0.2
135.11649	0.3
136.11208	1.3
137.05992	1.0
137.11992	1.2
138.06334	0.4
138.12779	10.2
139.13458	0.4
140.14374	0.2
141.09061	0.2
143.98560	0.1
149.12064	0.1
150.12814	0.3
152.14320	0.5
162.12744	0.4
163.03726	0.1
163.13666	0.1
164.14346	0.2
166.15921	0.5
175.11119	0.1
175.15971	0.1
176.14284	0.9
177.15079	0.3
178.15956	0.4
180.17471	0.4
190.15880	0.1
191.14426	0.1
191.16658	0.2
192.17426	0.1
232.20526	0.2
236.16484	0.3
250.21712	0.9
260.20139	0.2
276.19604	4.2
277.19919	5.1
278.21143	100.0
279.21472	3.7
418.22183	0.5
463.81232	0.1
663.67902	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	695.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05513	0.8
56.05041	0.7
66.55339	0.1
67.05503	1.5
68.99794	0.3
69.03417	0.5
69.07063	0.6
70.06589	0.8
72.04504	0.3
72.08163	0.1
75.48317	0.1
78.03780	0.2
79.05503	1.1
80.04996	0.4
81.07056	2.1
82.06567	0.3
83.08621	0.3
84.08140	1.4
88.02207	0.3
89.67507	0.1
91.05497	0.6
93.07037	1.6
94.06557	0.5
95.08613	1.3
96.08131	0.8
98.06048	0.2
98.09679	0.4
99.04456	0.3
100.07604	0.2
100.11231	0.3
102.03751	0.4
104.46813	0.1
105.07046	0.7
107.08595	1.0
108.08122	0.1
109.10149	0.4
110.09694	0.8
112.07604	0.3
115.08672	0.1
117.07030	0.2
119.08565	0.4
121.10143	0.5
122.09657	0.9
124.07614	0.3
124.11207	0.2
125.05996	0.3
128.07077	0.3
129.06979	0.2
131.06369	0.3
131.08524	0.3
132.04779	0.4
133.10129	0.4
134.09619	0.2
135.11668	0.1
136.11252	0.8
137.11981	0.2
138.12778	0.4
142.08614	0.8
145.10129	0.3
148.11192	0.5
149.07433	1.8
150.09128	1.0
150.12718	0.3
152.10687	0.1
153.06966	0.3
157.06496	0.5
159.05801	0.2
159.11705	0.2
161.13268	0.2
162.12816	0.4
164.10719	0.2
164.14371	0.2
168.10175	0.6
171.08115	0.2
173.13263	0.2
178.04886	0.1
178.15956	0.3
181.06496	1.4
182.11780	0.2
184.05080	0.1
184.09637	0.1
185.05963	0.4
187.07512	0.3
187.14891	0.2
190.79707	0.1
199.07515	1.0
204.17465	2.0
209.05984	0.5
210.14833	0.4
213.05438	0.6
222.14902	1.1
227.06979	1.7
228.07353	0.1
232.20532	0.3
236.16418	0.8
237.05447	0.3
238.98981	0.1
250.21724	0.1
250.88374	0.1
255.06519	11.7
256.06946	0.8
260.19934	0.2
261.12659	2.2
278.21133	100.0
279.21475	3.9
284.09219	0.3
326.10199	1.4
403.13113	1.2
515.18292	0.5
695.50146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05513	0.8
56.05041	0.7
66.55339	0.1
67.05503	1.5
68.99794	0.3
69.03417	0.5
69.07063	0.6
70.06589	0.8
72.04504	0.3
72.08163	0.1
75.48317	0.1
78.03780	0.2
79.05503	1.1
80.04996	0.4
81.07056	2.1
82.06567	0.3
83.08621	0.3
84.08140	1.4
88.02207	0.3
89.67507	0.1
91.05497	0.6
93.07037	1.6
94.06557	0.5
95.08613	1.3
96.08131	0.8
98.06048	0.2
98.09679	0.4
99.04456	0.3
100.07604	0.2
100.11231	0.3
102.03751	0.4
104.46813	0.1
105.07046	0.7
107.08595	1.0
108.08122	0.1
109.10149	0.4
110.09694	0.8
112.07604	0.3
115.08672	0.1
117.07030	0.2
119.08565	0.4
121.10143	0.5
122.09657	0.9
124.07614	0.3
124.11207	0.2
125.05996	0.3
128.07077	0.3
129.06979	0.2
131.06369	0.3
131.08524	0.3
132.04779	0.4
133.10129	0.4
134.09619	0.2
135.11668	0.1
136.11252	0.8
137.11981	0.2
138.12778	0.4
142.08614	0.8
145.10129	0.3
148.11192	0.5
149.07433	1.8
150.09128	1.0
150.12718	0.3
152.10687	0.1
153.06966	0.3
157.06496	0.5
159.05801	0.2
159.11705	0.2
161.13268	0.2
162.12816	0.4
164.10719	0.2
164.14371	0.2
168.10175	0.6
171.08115	0.2
173.13263	0.2
178.04886	0.1
178.15956	0.3
181.06496	1.4
182.11780	0.2
184.05080	0.1
184.09637	0.1
185.05963	0.4
187.07512	0.3
187.14891	0.2
190.79707	0.1
199.07515	1.0
204.17465	2.0
209.05984	0.5
210.14833	0.4
213.05438	0.6
222.14902	1.1
227.06979	1.7
228.07353	0.1
232.20532	0.3
236.16418	0.8
237.05447	0.3
238.98981	0.1
250.21724	0.1
250.88374	0.1
255.06519	11.7
256.06946	0.8
260.19934	0.2
261.12659	2.2
278.21133	100.0
279.21475	3.9
284.09219	0.3
326.10199	1.4
403.13113	1.2
515.18292	0.5
695.50146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31042	0.2
52.39850	0.2
53.03900	1.5
55.01822	1.1
55.05477	0.5
57.03379	2.0
57.12976	0.2
59.04969	0.2
61.02872	1.0
67.05502	1.3
69.03429	10.5
69.03783	0.5
70.02911	0.3
71.01308	0.4
71.04994	2.7
73.02915	2.9
79.05490	1.5
80.05018	1.5
81.03421	5.3
81.06999	0.9
81.07429	0.2
82.06531	0.3
83.01288	0.8
83.04918	0.3
84.00570	0.3
84.04414	0.2
85.02905	11.8
85.06505	0.4
86.06038	0.3
86.56274	0.2
87.04469	8.0
89.64671	0.2
91.03915	0.4
91.05495	1.8
92.04947	0.3
93.07051	1.3
93.07487	0.4
94.06526	0.5
95.04960	1.3
95.08558	0.5
96.08067	0.3
97.02893	6.2
97.06512	0.4
99.04453	3.4
101.02296	0.7
103.03901	0.5
106.06551	1.6
107.04945	0.5
107.08521	0.8
108.08074	0.3
109.02888	3.6
109.06541	1.4
110.05957	0.3
110.09616	0.3
111.08061	0.2
112.07551	0.4
113.05959	0.3
115.03931	8.9
115.05237	0.4
117.06940	0.8
118.06570	1.5
119.04905	0.6
119.08530	0.6
120.08006	0.8
121.06500	1.1
121.10052	0.3
122.05967	0.4
122.09605	1.0
123.04378	0.4
123.07969	0.9
124.07578	0.4
125.05902	0.3
126.09106	0.6
127.03918	9.2
128.06113	0.4
129.06943	0.7
130.06432	0.8
131.07385	0.2
131.08508	0.9
132.08083	1.1
133.04857	0.3
133.06430	0.8
133.10052	0.3
134.05937	0.3
134.09657	1.5
135.06473	0.3
135.07974	0.8
136.07512	0.7
136.11160	0.3
137.05980	1.2
137.09549	0.4
138.09113	0.3
139.07454	0.6
140.10643	0.3
141.05418	0.5
141.06932	0.3
143.08447	0.5
144.08015	0.6
145.04979	1.9
145.06412	0.5
145.10051	0.5
145.26265	0.3
146.05922	0.5
146.09604	0.4
147.06802	0.3
147.07983	0.5
148.07491	0.8
148.11131	0.8
149.05904	0.3
149.09532	0.4
150.09117	0.5
150.12772	0.3
151.03812	0.8
151.07573	1.3
152.10619	0.8
153.05453	0.4
153.09045	0.4
155.03409	2.2
155.06970	1.2
155.08363	0.4
157.04869	0.2
157.06485	0.4
158.09514	0.6
158.11684	0.4
159.08009	0.7
160.07501	0.9
160.08749	0.3
160.11209	2.6
161.09541	0.9
162.09065	0.9
163.06203	0.3
163.11188	0.4
164.10690	0.2
165.05499	2.0
165.09042	0.3
167.06989	0.7
167.08385	0.3
169.08611	0.5
169.10017	0.3
170.11742	0.3
172.07439	0.4
172.11165	0.6
173.05901	0.4
173.09558	0.4
174.12662	0.2
175.07454	0.3
176.07024	1.1
176.10710	1.4
177.05428	0.3
177.09007	0.4
178.08620	0.3
178.12294	1.4
179.06978	1.0
179.10712	1.1
180.10147	0.4
181.08560	0.8
181.12242	0.2
182.09651	0.4
183.05180	0.3
183.06541	2.9
183.10423	0.5
185.09534	0.2
186.09093	0.9
187.07478	0.5
188.10622	0.4
189.09036	0.5
190.12173	0.5
194.11726	0.6
197.08029	0.4
199.07491	0.3
200.10716	1.3
201.09196	0.4
201.11339	0.7
202.12294	0.4
204.10185	1.1
205.08560	0.3
207.06557	1.7
212.10793	0.3
213.09106	0.3
214.08580	0.7
218.11766	9.0
219.10374	0.3
219.12447	1.3
220.07208	0.3
220.13245	0.7
221.07979	0.3
223.09634	0.5
225.07545	1.3
228.13870	0.4
230.05795	0.3
233.07985	0.3
236.12813	11.2
237.13148	0.4
238.12202	0.4
245.08041	0.3
246.15009	0.5
247.09671	1.5
251.16173	0.2
253.29906	0.3
256.13379	1.8
259.08014	0.6
261.11163	1.0
263.09094	0.8
273.11267	1.2
274.14413	2.5
278.17514	0.4
278.20880	0.3
290.13928	0.5
291.15964	0.4
294.20584	1.8
308.14975	1.0
314.13712	0.3
317.13901	0.4
340.18765	0.3
366.16928	0.7
384.18015	2.0
402.19104	3.4
420.20163	37.9
421.20450	2.1
442.65469	0.2
462.21323	0.7
512.21576	0.3
578.25262	0.3
582.25439	1.6
678.27924	1.1
696.28583	100.0
697.28906	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	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01852	1.3
55.05508	17.4
57.03431	7.2
57.07075	10.9
59.73384	0.9
61.02925	25.1
65.03934	1.9
65.77603	1.1
67.05502	71.0
69.03424	2.8
69.06704	2.0
69.07064	25.5
69.57595	3.8
71.04994	1.7
71.08633	5.8
73.02919	11.6
75.01609	1.1
79.05492	19.1
81.03415	1.2
81.07054	87.0
83.04977	2.6
83.08616	21.5
85.02898	30.5
85.06532	1.7
85.10183	3.3
91.03389	1.5
91.03957	27.0
91.05469	15.6
93.07045	24.2
95.04972	1.7
95.08604	79.7
96.08923	2.2
96.47621	1.0
97.02894	13.2
97.06516	7.1
97.10162	13.6
99.04469	1.8
99.08093	2.6
101.02353	1.7
105.07029	9.4
106.03175	1.0
107.08599	15.7
109.10150	40.1
111.08076	4.0
111.11722	5.0
113.09660	2.5
119.08574	9.7
121.09282	1.1
121.10149	21.9
123.08080	1.6
123.11710	20.8
125.09579	1.2
127.03912	9.2
127.11174	1.3
133.10112	13.8
135.11684	14.1
137.09605	1.5
137.13286	6.5
139.11156	1.9
141.12755	1.9
145.04974	10.7
147.11679	10.6
149.13254	11.9
151.11212	1.6
151.14793	7.8
155.14307	2.6
161.13243	13.8
163.06023	19.1
163.14839	8.9
165.16376	10.2
167.14398	1.5
170.24907	1.1
175.14807	7.9
177.16396	3.5
179.14203	1.2
179.17897	8.0
181.15831	2.0
185.15269	1.3
189.16374	5.2
193.15891	2.6
203.17967	1.8
205.75630	1.2
217.19452	1.2
245.22629	62.8
246.22917	2.9
260.94577	1.1
263.23694	100.0
264.24109	4.0
265.25122	1.7
281.24783	3.3
337.27359	70.8
338.27597	2.8
355.28333	16.0
399.39572	1.1
499.32541	5.4
504.63702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47285	1.2
53.03954	1.4
55.05513	12.8
57.03432	3.9
57.07074	9.4
61.02926	22.5
67.05502	56.3
67.05867	2.7
69.03425	3.6
69.07065	15.7
70.61516	1.6
71.04974	1.4
71.08620	4.4
73.02919	8.7
79.05494	14.9
81.03419	1.1
81.07054	63.9
83.04989	2.1
83.08609	14.5
85.02899	30.3
85.06551	2.1
85.10175	2.5
88.44543	1.3
88.45114	1.0
91.03952	24.3
91.04497	1.8
91.05470	10.4
93.07043	17.4
95.04985	1.5
95.08602	57.9
97.02882	12.4
97.06507	5.9
97.10163	9.3
99.04414	1.7
99.08090	2.9
105.07032	8.7
107.08588	12.3
109.10155	31.6
111.08064	2.9
111.11719	3.9
113.09689	1.3
119.08559	10.0
121.10142	17.7
123.11703	16.7
125.09593	1.7
127.03893	8.6
127.11162	1.1
133.10126	13.2
135.11668	9.2
137.09612	1.4
137.13255	6.3
139.11169	1.6
141.12721	3.8
145.04950	13.7
147.11667	9.7
149.13287	10.9
151.14844	5.7
155.14307	3.6
161.13255	10.4
163.06007	22.1
163.14803	9.5
165.12775	1.8
165.16403	8.7
175.14764	8.7
177.16406	1.7
179.17932	8.1
180.89449	1.5
189.16383	4.1
203.17964	1.9
217.19460	1.8
245.22638	61.5
246.22876	1.8
250.66895	1.1
263.23688	100.0
264.24066	3.7
265.25296	2.9
269.62811	1.1
281.24780	3.4
337.27341	44.1
338.27817	2.2
355.28400	13.6
499.32266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50755	1.7
53.03946	3.7
54.90639	1.8
55.01872	7.3
55.05516	33.9
56.05030	2.2
57.03442	12.3
57.07079	9.2
65.03931	4.2
67.05508	87.1
67.05870	4.4
69.03430	3.6
69.07073	43.2
69.57909	7.8
71.05001	5.9
71.08636	20.3
77.03900	1.9
79.05502	62.8
81.03421	18.4
81.07061	100.0
82.07404	1.8
83.04982	15.9
83.08626	25.2
85.06545	6.2
85.10192	4.6
86.09716	9.0
91.04939	4.0
91.05488	65.8
93.07049	71.2
95.04974	28.7
95.08614	57.1
97.06541	14.8
97.10177	10.5
99.08114	12.7
105.04498	4.5
105.07036	43.9
107.04943	8.4
107.08603	46.8
109.06508	7.4
109.10146	20.2
111.08062	10.6
113.09685	2.9
117.07022	19.5
119.08587	33.9
121.06502	5.2
121.10168	22.4
123.08073	5.9
123.11710	6.6
125.09646	9.5
128.06223	2.2
129.07018	11.6
131.08586	25.2
133.06522	2.2
133.10127	27.1
135.08049	4.8
135.11702	19.3
137.09637	5.6
139.11147	3.4
142.07776	3.6
143.08575	10.6
145.10129	19.6
147.11690	17.1
149.09636	10.5
149.13293	16.7
151.11180	11.6
153.81113	1.8
155.08554	2.1
157.10103	10.5
159.08025	2.6
159.11700	18.8
161.13251	11.2
163.11208	12.8
163.14897	2.4
165.12808	5.6
168.31665	2.0
169.10193	2.7
171.11737	6.4
173.13269	6.1
175.11179	3.5
175.14856	3.8
177.12770	7.6
179.14322	7.4
181.12215	2.5
185.13246	5.3
187.14882	2.7
189.11208	5.1
193.12267	2.2
195.13799	10.6
197.13184	3.8
199.14844	2.7
200.69621	2.2
201.16414	2.7
209.13280	1.8
211.14835	2.0
213.14796	4.1
219.06628	2.5
221.08119	2.2
223.14835	2.8
227.12801	13.9
239.18036	2.3
247.20514	4.1
255.15775	8.8
257.18982	7.1
259.20654	5.6
262.25186	2.4
267.15927	4.0
269.17474	31.3
275.20056	23.4
277.21655	16.0
293.21097	3.4
295.22751	2.5
335.26093	2.2
346.88171	1.9
349.23776	21.4
351.25272	21.1
433.30597	3.0
445.29153	2.4
449.28769	15.1
463.30527	32.4
464.30484	2.6
469.33429	2.2
470.28503	3.1
505.38950	38.2
506.38965	3.1
517.38409	2.8
525.35742	2.4
527.37244	3.2
531.37067	2.5
543.36798	21.0
545.38348	18.8
561.37750	6.5
583.37061	4.1
625.44415	5.9
696.41809	3.9
697.42206	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	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.3
53.03944	5.9
55.01870	2.9
55.05514	36.5
57.03449	15.2
57.07069	14.6
65.03938	5.5
65.86629	2.0
67.05508	88.9
69.03414	5.0
69.07075	37.6
71.04990	7.6
71.08640	20.0
71.42716	2.1
79.05498	75.1
81.03421	28.1
81.07059	100.0
82.07391	2.3
83.04980	14.5
83.08618	26.4
85.02937	2.3
85.06548	8.1
85.10195	5.3
86.09691	9.8
91.05480	61.2
93.01984	2.2
93.07047	71.0
95.04974	21.9
95.08614	59.1
97.06543	21.6
97.10158	11.9
99.08082	12.9
105.03426	4.9
105.04510	3.7
105.07037	47.2
107.04970	8.2
107.08601	44.0
109.06512	7.4
109.10152	19.6
111.08090	8.4
111.11682	2.4
112.11283	3.0
113.09631	2.4
115.05455	2.1
117.07009	21.1
119.08568	36.3
121.06497	5.4
121.10155	29.6
123.08064	5.6
123.11701	7.1
125.09621	11.0
128.06183	2.2
128.24417	2.0
129.07033	10.2
129.51831	2.2
131.08574	26.0
132.18054	1.8
133.06520	1.8
133.10147	31.6
135.08072	3.9
135.11681	19.3
136.06206	4.3
137.09613	6.2
139.11160	4.7
141.06995	4.5
141.42365	2.7
142.07813	2.1
142.30099	1.8
143.08545	9.9
145.10120	19.8
147.08061	2.5
147.11673	18.1
149.09631	13.2
149.13258	18.5
151.11198	15.1
155.08572	3.6
157.10153	9.8
159.11719	17.1
161.09746	2.6
161.13222	10.3
163.11186	13.7
163.14908	3.1
165.12766	4.3
169.10158	4.6
171.11658	7.9
173.09564	2.6
173.11853	2.9
173.13268	5.7
173.55081	2.2
173.88869	2.2
175.11163	4.2
177.12737	8.4
179.14351	7.1
183.11708	3.8
185.13240	3.7
187.14769	3.2
189.11275	4.4
189.12791	3.2
193.12254	6.7
195.13824	9.3
197.13229	4.2
199.14812	2.4
203.07112	3.1
203.14409	2.0
221.08038	4.6
221.15411	2.6
227.12779	10.8
236.16386	3.7
239.17883	2.8
242.84454	2.2
251.16293	2.7
255.15813	10.5
257.18948	6.0
259.20624	5.6
267.15927	4.5
269.17447	31.6
275.20041	25.4
277.21667	19.9
299.63269	2.2
349.23792	21.3
350.98709	2.1
351.25327	20.5
367.24576	3.2
415.16040	2.2
433.29990	2.5
445.29550	3.1
449.28961	16.5
450.29047	2.6
463.30588	27.9
505.31577	3.7
505.38910	74.0
506.38882	6.9
525.36230	3.0
527.37250	2.9
529.37415	2.6
531.36700	5.7
543.36810	19.1
545.38446	16.8
549.37042	2.3
561.37872	5.6
583.36847	3.0
625.44434	3.8
643.45300	4.8
696.41193	4.1
697.42157	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	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05505	0.6
56.13686	0.3
57.03431	1.4
61.02923	3.6
67.05505	1.7
69.03439	2.5
69.25557	2.0
70.41396	0.4
71.04993	0.5
73.02938	2.3
79.05498	1.7
81.03419	4.5
81.07057	1.8
82.82327	0.4
83.04991	0.8
83.08634	0.9
85.02903	5.3
91.03951	2.0
91.05489	2.3
93.07047	0.7
95.04982	1.6
95.08598	0.7
97.02877	3.2
98.22653	0.8
99.04466	0.6
101.02370	1.0
105.07036	1.8
109.02871	0.4
109.06517	0.6
111.08104	0.6
119.08609	1.8
121.10142	0.5
127.03931	0.5
129.07022	0.8
131.08589	1.0
133.10161	0.7
140.23953	0.3
142.07758	0.4
147.11742	1.0
149.09636	0.4
157.10094	1.0
163.11148	0.5
174.44455	0.4
174.72305	0.3
175.11201	0.8
185.04204	0.4
193.12254	1.7
211.13344	1.1
243.08444	1.2
251.12654	1.2
265.24332	0.4
270.15814	0.4
271.11188	0.4
469.20432	11.0
470.21149	0.5
632.56012	0.5
697.34027	100.0
698.22797	0.7
698.34351	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	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01887	0.4
55.05507	1.0
57.03440	1.6
61.02930	3.6
67.05509	1.6
69.03430	2.1
69.07068	0.7
69.11552	1.5
71.01356	0.5
71.05001	0.6
73.02928	2.6
79.05498	2.1
81.03419	5.2
81.07064	2.4
83.04990	0.9
83.08614	1.8
85.02910	5.7
91.03960	2.1
91.05482	2.7
93.07057	1.4
93.07601	0.2
95.04968	1.9
95.08617	0.8
96.11008	0.2
97.02892	3.0
97.06551	0.6
97.10178	0.3
98.22691	0.5
99.04483	0.6
101.02386	1.4
103.03954	0.4
105.07037	2.0
107.04944	0.5
107.08611	0.8
109.02876	0.5
109.10159	0.2
111.04440	0.3
111.08079	1.2
113.06074	0.3
115.03928	0.3
119.08561	1.3
121.10142	1.0
123.08112	0.3
127.03919	1.4
129.07014	0.8
131.08600	1.0
133.10146	1.1
135.11700	0.3
145.04987	0.3
147.11661	1.5
149.09705	0.7
157.10123	1.3
175.11163	1.5
185.11676	0.2
193.12224	3.4
203.05304	0.3
211.13295	2.5
243.08429	2.0
251.12543	4.7
259.07932	0.3
267.15961	0.3
285.16983	0.8
307.15115	1.2
451.19577	0.9
469.20483	15.5
470.20889	0.9
535.28796	0.4
543.01294	0.3
600.29083	0.3
697.34021	100.0
698.34314	8.7
698.46436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05507	1.7
57.03431	2.8
60.95127	0.4
61.02926	6.9
61.14228	0.5
63.66525	0.4
67.05506	12.1
69.03426	3.8
69.07066	1.7
69.10330	3.3
71.04988	0.7
73.02921	4.7
79.05508	2.7
81.03410	2.6
81.07060	5.6
83.01120	0.6
83.04967	0.7
83.08621	1.6
85.02905	7.7
85.06539	1.1
87.04485	0.6
91.03960	5.7
91.05482	2.2
93.07038	3.6
95.04975	0.6
95.08620	2.3
97.02893	5.8
97.06523	0.6
99.04450	1.6
101.02394	1.7
103.04011	0.6
105.07073	0.8
107.08613	2.0
109.06523	0.8
109.10144	8.8
111.08102	1.1
115.03918	0.5
117.07009	0.8
119.08589	2.0
121.10158	1.4
123.04263	0.6
123.11707	0.7
127.03942	2.7
129.05502	1.0
131.08545	0.7
133.10201	0.7
135.11720	0.8
137.09550	0.7
145.04970	1.4
149.13290	1.2
155.10597	1.1
173.11780	4.3
173.13184	0.8
181.04749	1.4
184.03503	0.6
185.04190	2.6
195.10014	1.3
195.13794	0.7
201.03801	0.5
221.11537	1.5
229.14391	1.9
235.13120	0.8
241.06859	0.7
243.08385	4.5
247.16690	0.6
251.12627	1.3
259.07977	0.6
262.22598	0.9
265.14249	0.9
269.17365	0.6
301.08948	5.8
315.10492	3.4
321.32150	0.5
329.12189	0.9
360.10248	0.5
369.15225	1.3
371.16788	3.2
373.11072	2.7
385.18375	3.2
389.26730	1.1
413.17798	20.1
414.18143	0.8
425.21313	3.4
429.17331	1.0
443.18918	1.1
453.20917	5.8
463.26730	1.7
469.20361	1.2
483.22083	1.4
484.22739	3.1
485.19986	7.3
497.23462	1.0
499.21747	2.2
516.21167	0.6
527.24738	0.9
541.26453	3.4
553.29260	1.0
567.31451	22.9
568.32294	3.2
596.31635	15.4
597.32434	1.6
623.33966	0.9
625.31927	100.0
626.32288	6.5
628.30206	2.0
651.33478	6.2
653.34760	1.3
669.34589	1.3
697.33972	53.4
698.34290	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	697.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80893	0.1
55.01872	0.4
55.05510	0.4
56.05033	0.3
57.03428	0.3
67.05508	0.6
68.05031	0.1
69.03419	0.6
69.07066	0.2
69.22839	0.3
70.06586	0.3
71.04978	0.3
73.24111	0.1
79.05492	0.7
80.05020	0.5
81.07056	0.4
82.06581	0.7
83.04955	0.2
84.08137	0.2
85.06530	0.1
87.79702	0.1
90.24733	0.1
91.05486	0.5
93.06459	0.1
93.07041	1.1
94.06556	0.7
95.04960	0.1
95.07372	0.1
95.08596	0.3
96.08142	0.4
97.06520	0.3
97.08908	0.2
98.06037	0.1
98.09702	0.2
100.07620	1.0
105.07014	0.4
106.06535	0.3
107.08596	0.6
108.08130	0.3
109.10141	0.2
110.09677	5.8
111.08089	0.1
112.07612	0.2
112.11240	0.2
115.48579	0.1
117.07039	0.1
119.08581	0.2
120.08096	0.6
121.08906	0.1
121.10134	0.3
122.09666	1.0
123.08020	0.1
123.10419	0.1
124.07593	0.2
124.11225	0.5
125.05199	0.1
125.05971	0.4
125.09664	0.1
126.05376	0.1
126.09081	0.1
127.11196	0.1
128.07054	0.1
131.08527	0.2
133.10097	0.1
134.09645	1.7
135.08080	0.1
135.10400	0.2
136.11206	0.9
137.12015	0.4
138.09131	0.1
138.12737	0.1
143.08618	0.1
144.00125	0.1
145.10133	0.3
146.09660	0.2
147.10414	0.1
148.11200	1.0
149.11975	0.3
150.09142	0.7
150.12796	0.4
151.09576	0.1
152.10655	0.1
154.12286	0.2
160.06625	0.1
160.11221	0.4
161.11963	0.2
162.09123	0.2
162.12778	3.1
163.13536	0.3
164.10677	0.2
164.14392	0.1
168.10213	0.4
172.11169	0.1
174.12787	0.4
176.08240	0.1
176.10690	0.3
176.14314	0.1
177.15138	0.1
178.12202	0.2
180.10223	0.1
182.11752	0.3
188.14285	0.5
190.12227	0.1
190.15933	0.6
191.59912	0.1
192.17513	0.1
194.11749	0.4
202.15898	0.2
206.15414	0.1
208.13307	0.2
208.16881	0.4
218.15411	0.3
220.13330	0.1
220.16968	1.4
234.14926	0.7
236.16435	7.5
237.16827	0.3
248.16394	0.2
248.20198	0.1
258.18613	0.1
275.12683	0.1
276.19595	1.8
277.19839	0.1
278.17548	0.2
287.05508	0.2
292.19260	0.1
294.20624	100.0
295.20963	3.8
351.76660	0.1
355.98322	0.1
404.20667	3.6
405.20926	0.2
476.96347	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	697.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.1
54.62656	0.1
55.01858	0.2
55.05507	1.3
56.05019	0.5
57.07063	0.2
67.05506	0.9
69.03436	0.5
69.07071	0.9
69.72559	0.5
72.08139	0.1
74.20872	0.1
79.05486	0.5
81.07057	1.4
82.06584	0.4
83.08633	0.7
84.08134	0.6
85.02882	0.2
91.05499	0.3
93.07053	0.8
94.06548	0.2
95.04973	0.2
95.08605	1.1
96.08144	1.0
97.10166	0.4
98.09666	0.2
99.04468	0.1
100.07613	0.2
100.11291	0.2
105.07047	0.3
107.08579	0.5
109.10157	0.4
110.09681	0.4
110.70295	0.1
112.07616	0.4
112.11362	0.1
114.09200	0.2
119.08554	0.3
121.10145	0.3
122.09682	0.4
124.07621	0.2
124.11253	0.2
125.05983	0.4
128.07056	0.5
133.10153	0.3
135.11690	0.3
136.11198	0.2
137.06004	0.3
140.14362	0.2
142.08624	1.2
147.11658	0.2
150.09256	0.2
150.12782	0.3
152.10680	0.2
163.03963	0.2
164.14400	0.2
168.10257	0.2
180.17534	0.4
182.11778	0.3
206.19051	3.5
207.19386	0.3
210.14903	0.3
210.18524	0.2
234.22299	0.2
252.19591	0.2
252.23256	0.2
262.21783	0.4
276.16193	0.2
278.21121	0.5
279.21457	0.5
280.22711	100.0
281.23041	6.3
282.23199	1.1
355.11606	0.2
374.12912	0.2
412.48502	0.2
450.21185	0.4
611.54620	0.2
696.86859	0.2
697.51129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01873	4.4
55.05498	1.8
57.03436	3.1
59.05005	0.8
61.02924	2.5
67.05498	2.1
68.99789	1.2
69.03067	0.7
69.03431	13.5
69.07072	1.7
69.55843	2.0
71.04987	2.2
71.05328	0.5
73.02916	3.1
79.05482	1.7
81.03422	14.1
81.07063	3.0
83.05006	0.7
85.02908	34.7
85.06521	0.9
87.00346	1.0
87.00834	11.8
87.04467	1.2
89.45126	0.6
91.03941	1.2
91.05483	1.2
93.07040	2.1
94.95181	0.5
95.04971	1.0
95.08640	2.4
96.08162	0.6
97.02894	10.2
97.06525	1.0
99.04459	4.6
103.03925	1.3
105.01237	0.9
105.01876	10.4
105.07037	3.1
107.04945	0.6
107.08615	1.7
109.02885	13.3
109.06518	1.1
109.10153	2.1
111.08062	1.0
115.03938	1.1
117.01862	1.2
119.08583	1.0
121.06496	1.4
121.10152	1.8
123.11701	0.7
125.09590	0.5
127.03922	26.7
129.01839	2.3
131.08543	0.9
133.06497	1.4
133.10085	1.0
135.08031	0.5
135.11665	0.7
137.05972	0.9
137.09584	0.7
142.12241	0.5
143.08586	0.6
145.04970	12.6
145.06152	0.9
145.06602	0.6
145.10118	1.5
147.02870	1.8
147.11679	1.2
149.13229	0.6
151.03880	0.5
151.07599	0.6
152.06087	0.5
159.02902	7.4
159.07999	0.9
159.11694	0.9
161.09604	0.6
161.78062	0.6
165.05597	0.8
165.06976	4.4
165.12717	0.6
166.07782	1.0
167.07220	0.8
167.08582	2.7
171.08035	0.7
173.09630	2.1
177.03865	0.9
178.07724	0.7
179.08661	0.6
179.10661	0.6
182.07318	1.7
187.07574	0.7
187.11205	1.1
189.09171	0.6
193.06404	2.6
194.07239	5.8
195.08087	1.5
197.09642	2.0
204.13765	0.7
205.12259	0.9
207.08064	0.7
210.06798	3.8
211.07552	0.6
213.03961	1.3
213.09201	0.6
215.10699	3.0
216.10997	0.8
219.13800	0.6
225.09105	35.2
226.09373	0.6
229.14406	1.5
231.05014	7.3
233.11705	1.0
237.05272	0.7
239.07126	0.6
239.10681	3.4
240.07793	1.2
241.08488	0.7
243.10181	0.7
249.06004	1.1
249.09007	0.5
252.08017	0.7
253.08601	47.0
254.09007	2.1
256.07272	1.8
264.07736	1.8
266.08755	0.7
267.10089	3.3
269.08026	1.0
270.08807	0.7
271.09647	100.0
272.10001	2.5
277.08572	1.1
280.07373	1.4
283.09686	1.3
291.10199	0.9
293.17303	0.9
295.06439	0.9
295.09662	14.7
303.23175	0.7
307.09592	0.9
313.10727	19.4
321.24240	1.1
333.10757	0.5
337.10632	6.9
359.23322	1.4
361.10709	1.6
379.11713	2.1
388.21188	1.6
394.13010	0.5
397.12811	1.2
433.14911	1.5
447.27246	0.6
465.28351	1.5
483.12970	4.9
501.13690	1.6
507.10544	0.5
519.07849	0.6
519.15051	7.3
573.30786	0.6
666.24335	0.7
697.40509	1.6
698.34503	2.1
698.48248	2.6
698.98297	1.7
699.33240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01883	2.0
55.21715	0.3
57.03426	1.4
57.07072	0.4
61.02924	1.8
67.05505	0.4
68.99780	0.6
69.03434	8.1
69.79773	0.9
69.80087	0.4
70.06594	2.7
71.05004	1.7
73.02920	1.2
81.03416	5.7
81.07030	0.5
83.01353	0.3
84.08158	2.0
85.02907	21.9
85.06548	0.4
87.00831	7.5
87.04495	0.6
91.03958	0.6
91.05494	0.5
93.07092	0.6
95.08602	0.3
97.02895	7.7
98.06054	1.0
99.04469	3.0
100.11304	0.3
103.03945	0.5
103.05463	0.4
105.01870	7.2
105.07047	0.6
109.02887	6.3
111.04443	0.6
115.03901	0.5
117.01849	0.7
121.06542	0.6
126.05503	0.6
127.03917	12.9
129.01836	0.7
131.04936	0.4
137.05980	0.5
145.04953	6.9
145.10133	0.5
147.02881	0.7
151.07545	0.4
155.08525	0.5
159.02885	2.7
167.08424	0.5
178.07832	0.8
181.06464	0.7
183.11694	0.6
189.03912	0.8
193.10139	3.5
195.08101	0.4
195.11400	0.5
196.08844	1.7
209.09546	0.5
210.10330	1.6
211.11183	4.7
213.03917	1.1
213.12407	1.4
220.08832	0.3
220.13260	1.4
221.09549	2.3
222.10370	0.8
224.08337	3.2
225.09004	1.1
225.12737	4.7
228.11475	0.7
231.05006	3.1
235.11136	0.6
237.09009	0.9
238.09900	3.4
239.10683	16.0
240.11455	7.0
241.08615	1.0
241.12137	0.7
243.13876	1.0
249.06078	1.3
251.06960	1.0
251.10721	0.4
252.11507	1.1
253.12241	8.3
253.14716	0.7
254.09474	0.7
254.12766	0.8
255.10139	0.7
256.10962	8.9
263.10757	0.8
264.11438	1.2
265.08664	1.6
265.12158	0.9
266.09286	1.0
267.10281	0.4
267.13861	0.8
269.11752	3.5
271.13287	100.0
272.13580	3.9
277.12131	0.5
280.10864	2.9
280.22806	1.7
281.11731	20.1
282.12112	0.9
291.13840	0.6
292.10971	0.5
294.12451	0.4
295.13275	14.0
296.13596	0.5
303.23083	1.6
305.11673	0.5
307.13391	0.8
310.17737	0.6
313.14340	4.8
319.13312	0.5
321.24002	0.4
333.14853	0.8
337.14355	6.2
361.14301	2.1
379.15414	3.1
397.16272	0.8
407.23312	0.8
433.18771	2.3
465.15326	0.7
483.16376	2.2
501.17468	1.6
504.28015	1.0
698.30109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01874	5.1
57.03444	5.6
61.02672	1.3
61.02930	8.4
65.03954	4.6
67.05522	3.3
68.99796	1.4
69.03432	36.8
71.05013	3.4
73.02923	7.5
79.05502	13.5
79.97649	1.5
80.27129	1.2
81.03419	26.1
81.07058	4.7
85.02905	83.7
87.04470	17.5
87.06112	1.3
91.03972	3.8
91.05454	7.4
93.03423	3.1
93.07057	4.7
95.04987	5.6
95.08643	2.3
97.02895	32.2
97.06530	3.1
99.04455	7.0
103.03961	2.7
103.05503	6.0
105.03389	1.8
105.04517	1.4
105.07021	12.6
106.04183	5.3
107.04951	36.6
107.08596	3.0
108.04504	2.9
109.02878	19.3
109.06522	4.3
109.10188	3.9
115.03943	31.1
115.05450	5.4
117.07044	4.0
119.04980	1.9
119.08617	1.6
121.06533	5.1
121.10101	1.7
122.03631	1.8
123.04409	2.7
124.05243	5.2
124.21706	1.3
125.06005	4.6
127.03917	42.7
128.06215	2.9
129.07022	10.8
131.04941	8.1
132.05688	2.5
133.04958	3.8
133.06482	11.8
134.06039	1.9
135.04443	2.1
135.08076	1.8
137.05981	38.1
138.06387	1.9
139.07529	1.4
143.04980	4.0
145.04980	38.8
145.06494	6.6
145.10146	3.3
147.04506	2.0
147.08026	2.9
147.11732	2.5
148.88971	1.4
149.05981	16.3
151.03906	15.3
151.05037	2.2
151.07550	1.9
152.04710	2.0
153.05460	3.0
155.06039	1.8
157.06491	14.8
159.04428	1.7
159.11783	1.8
160.05185	2.1
161.05988	23.7
161.09669	2.2
163.03989	2.6
163.06114	2.9
163.07494	3.2
164.07048	4.0
165.05499	2.4
166.08669	1.6
167.07037	97.4
168.07422	2.7
171.04422	5.4
171.06535	5.6
172.03902	2.9
172.05260	2.8
173.06010	4.5
173.09589	2.0
174.86729	1.4
175.07524	7.4
177.05478	43.1
177.06978	2.9
179.07072	3.9
180.04253	1.6
181.04945	85.9
182.05354	1.5
185.05998	1.9
187.07590	4.7
189.05501	13.4
189.09088	8.4
189.88020	1.4
191.07021	10.8
192.07805	3.3
193.04912	2.0
193.08611	18.5
195.06578	4.5
201.05479	5.0
203.07001	11.8
205.08656	7.8
206.05751	2.9
207.06548	4.3
207.10211	1.4
215.07051	6.7
215.10701	2.7
218.05817	5.0
219.06366	6.5
221.08031	10.7
225.07581	4.8
233.08081	45.1
233.11694	1.7
234.08517	2.1
235.09656	35.7
236.09975	2.0
243.06613	2.2
245.08163	2.0
247.07452	1.6
249.08931	2.5
251.06787	3.0
251.09149	28.4
251.11612	2.4
255.06583	1.9
257.08121	2.3
259.08221	11.0
263.09106	11.6
276.07974	2.4
276.15924	1.7
277.08841	5.3
285.07675	1.6
293.08194	2.6
295.09790	2.1
301.07098	9.3
303.08737	2.3
303.23447	1.7
304.15610	1.5
305.08212	1.8
309.11292	3.2
310.20267	1.6
315.08545	2.1
316.09421	8.0
322.16608	2.9
323.09888	2.3
325.10953	3.4
337.10742	4.0
342.11069	2.0
351.12302	3.5
357.13419	8.6
369.13324	13.1
372.12427	1.6
375.14560	8.5
387.14380	100.0
388.14807	6.0
405.15436	87.4
406.15823	3.3
450.21243	4.7
495.50958	1.8
504.17786	6.4
505.18265	1.7
505.70667	1.7
698.28076	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	698.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01874	5.1
57.03444	5.6
61.02672	1.3
61.02930	8.4
65.03954	4.6
67.05522	3.3
68.99796	1.4
69.03432	36.8
71.05013	3.4
73.02923	7.5
79.05502	13.5
79.97649	1.5
80.27129	1.2
81.03419	26.1
81.07058	4.7
85.02905	83.7
87.04470	17.5
87.06112	1.3
91.03972	3.8
91.05454	7.4
93.03423	3.1
93.07057	4.7
95.04987	5.6
95.08643	2.3
97.02895	32.2
97.06530	3.1
99.04455	7.0
103.03961	2.7
103.05503	6.0
105.03389	1.8
105.04517	1.4
105.07021	12.6
106.04183	5.3
107.04951	36.6
107.08596	3.0
108.04504	2.9
109.02878	19.3
109.06522	4.3
109.10188	3.9
115.03943	31.1
115.05450	5.4
117.07044	4.0
119.04980	1.9
119.08617	1.6
121.06533	5.1
121.10101	1.7
122.03631	1.8
123.04409	2.7
124.05243	5.2
124.21706	1.3
125.06005	4.6
127.03917	42.7
128.06215	2.9
129.07022	10.8
131.04941	8.1
132.05688	2.5
133.04958	3.8
133.06482	11.8
134.06039	1.9
135.04443	2.1
135.08076	1.8
137.05981	38.1
138.06387	1.9
139.07529	1.4
143.04980	4.0
145.04980	38.8
145.06494	6.6
145.10146	3.3
147.04506	2.0
147.08026	2.9
147.11732	2.5
148.88971	1.4
149.05981	16.3
151.03906	15.3
151.05037	2.2
151.07550	1.9
152.04710	2.0
153.05460	3.0
155.06039	1.8
157.06491	14.8
159.04428	1.7
159.11783	1.8
160.05185	2.1
161.05988	23.7
161.09669	2.2
163.03989	2.6
163.06114	2.9
163.07494	3.2
164.07048	4.0
165.05499	2.4
166.08669	1.6
167.07037	97.4
168.07422	2.7
171.04422	5.4
171.06535	5.6
172.03902	2.9
172.05260	2.8
173.06010	4.5
173.09589	2.0
174.86729	1.4
175.07524	7.4
177.05478	43.1
177.06978	2.9
179.07072	3.9
180.04253	1.6
181.04945	85.9
182.05354	1.5
185.05998	1.9
187.07590	4.7
189.05501	13.4
189.09088	8.4
189.88020	1.4
191.07021	10.8
192.07805	3.3
193.04912	2.0
193.08611	18.5
195.06578	4.5
201.05479	5.0
203.07001	11.8
205.08656	7.8
206.05751	2.9
207.06548	4.3
207.10211	1.4
215.07051	6.7
215.10701	2.7
218.05817	5.0
219.06366	6.5
221.08031	10.7
225.07581	4.8
233.08081	45.1
233.11694	1.7
234.08517	2.1
235.09656	35.7
236.09975	2.0
243.06613	2.2
245.08163	2.0
247.07452	1.6
249.08931	2.5
251.06787	3.0
251.09149	28.4
251.11612	2.4
255.06583	1.9
257.08121	2.3
259.08221	11.0
263.09106	11.6
276.07974	2.4
276.15924	1.7
277.08841	5.3
285.07675	1.6
293.08194	2.6
295.09790	2.1
301.07098	9.3
303.08737	2.3
303.23447	1.7
304.15610	1.5
305.08212	1.8
309.11292	3.2
310.20267	1.6
315.08545	2.1
316.09421	8.0
322.16608	2.9
323.09888	2.3
325.10953	3.4
337.10742	4.0
342.11069	2.0
351.12302	3.5
357.13419	8.6
369.13324	13.1
372.12427	1.6
375.14560	8.5
387.14380	100.0
388.14807	6.0
405.15436	87.4
406.15823	3.3
450.21243	4.7
495.50958	1.8
504.17786	6.4
505.18265	1.7
505.70667	1.7
698.28076	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	698.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59862	0.4
62.79836	0.3
67.57935	0.3
68.05015	0.7
69.88618	0.8
69.88959	0.5
70.06594	100.0
71.06927	0.6
76.12701	0.4
98.06056	49.2
98.23441	0.5
99.06386	0.5
116.07101	12.5
117.33973	0.4
126.05518	42.4
151.12303	2.4
165.10249	0.8
167.08769	0.4
167.11800	8.0
168.12195	0.4
179.11800	0.9
195.09503	0.9
195.11293	18.5
213.12341	50.9
214.12694	1.4
260.63110	0.3
264.17099	0.7
272.23648	0.3
287.74338	0.5
292.16473	2.1
310.17603	40.4
311.18073	1.3
360.17688	0.6
361.18298	0.5
361.22455	0.7
389.22028	0.8
407.22861	13.0
408.23093	0.8
455.59570	0.4
463.53860	0.4
504.28180	61.5
505.28406	4.2
601.33459	3.5
665.72443	0.4
698.38672	24.7
699.39136	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	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32792	2.5
55.05291	2.7
55.05514	27.1
56.75629	2.1
57.03432	7.9
57.06831	2.7
57.07079	17.9
61.02925	28.8
67.05507	33.9
69.03428	3.4
69.07069	45.3
70.09682	2.7
71.04984	3.7
71.08624	10.0
71.44366	2.6
73.02911	10.8
74.94648	2.1
79.05485	13.5
81.07054	46.0
82.07389	2.8
83.08621	39.8
85.02904	35.8
85.06491	2.4
85.10170	4.8
91.03951	32.5
93.07043	22.3
95.08603	50.9
97.02889	15.4
97.06510	11.3
97.10163	23.6
99.04453	2.4
99.66937	2.5
107.08590	19.0
109.10176	21.9
110.10586	2.0
111.08055	7.2
111.11714	7.0
112.79057	2.6
120.98904	2.1
121.09287	2.5
121.10146	47.1
123.11691	9.6
125.09581	2.4
125.13253	2.6
127.03909	8.3
135.11687	38.6
137.13217	3.4
139.11179	5.8
145.04959	17.1
149.13264	13.0
151.14807	7.7
163.06004	29.6
163.14845	5.9
177.16423	4.7
199.16797	2.6
205.19511	2.6
234.26213	2.6
247.24237	39.4
263.10721	2.6
264.33865	2.6
265.22446	4.9
265.25272	100.0
283.26352	20.2
339.28940	94.5
339.33115	4.0
340.29254	4.1
357.29953	84.3
358.30530	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	698.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02404	1.2
51.54824	1.2
52.39341	1.3
52.75527	1.3
54.00557	1.2
55.05510	25.8
55.05778	1.9
57.03439	8.2
57.07078	15.9
61.02923	28.5
67.05507	38.1
68.22627	1.3
69.03440	4.0
69.07067	47.7
69.74640	5.0
71.05006	2.5
71.08636	9.6
73.02921	6.0
75.04498	3.8
79.05488	15.4
81.07055	41.8
83.08620	43.2
83.09089	3.0
85.02901	32.1
85.06542	3.0
85.10199	5.9
91.03957	25.3
91.04486	1.9
93.07045	20.1
95.08607	47.3
95.09203	2.7
97.02891	12.3
97.06529	8.7
97.10163	26.1
99.04494	2.1
99.08106	2.9
107.08595	18.4
109.10149	23.6
109.10777	1.9
111.08115	4.2
111.11705	9.2
113.09722	1.5
121.10144	38.1
123.11724	10.0
125.09676	2.8
125.13216	2.2
127.03893	7.4
135.11696	37.3
137.13297	3.5
139.11205	3.5
145.04968	15.8
149.13277	13.2
151.14896	4.5
152.99319	1.4
153.12733	2.7
157.12321	1.6
163.06004	21.7
163.14877	6.7
165.16377	4.0
177.16441	3.3
191.18008	2.7
202.44870	1.8
205.19389	1.4
221.23106	1.4
247.24197	37.5
247.26602	2.3
253.92044	1.4
265.25269	90.4
266.25372	1.6
283.26303	19.4
289.68292	1.4
339.28934	100.0
340.29205	3.6
345.68488	1.6
357.29990	70.5
360.86136	1.6
438.65613	1.5
454.72256	1.6
501.34186	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	698.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68801	2.6
53.03952	4.7
54.50594	2.3
54.54584	2.0
55.01873	8.9
55.05515	41.3
57.03441	12.3
57.07074	8.4
62.82785	2.1
65.03950	3.1
65.15191	2.1
67.05509	97.7
69.07071	30.2
71.04994	5.0
71.08641	20.9
75.84345	2.3
79.05499	62.0
81.03437	6.4
81.07061	100.0
83.04972	18.4
83.08623	24.2
85.06553	7.0
91.05486	55.1
93.07054	78.9
95.04969	22.3
95.08614	56.6
97.06551	15.1
97.10171	11.8
99.08104	23.6
105.04540	3.3
105.07036	38.0
107.04951	3.9
107.08601	36.8
109.06550	6.9
109.10164	23.6
111.08080	8.9
113.09737	2.4
117.07018	18.4
119.08593	24.2
121.06506	4.2
121.10145	21.2
123.08076	4.0
123.11729	6.9
125.09636	11.6
129.07030	7.7
130.07800	2.7
131.08574	24.8
133.10129	20.4
135.08060	3.6
135.11697	14.4
139.11195	5.8
143.08574	7.7
145.06424	3.1
145.10115	12.0
147.08022	3.9
147.11690	10.8
149.02438	2.7
149.09641	3.4
149.13252	20.6
151.11169	22.5
153.12711	3.0
155.08583	3.5
157.10170	5.8
159.11713	14.4
161.13274	11.9
163.11133	13.2
165.12772	3.7
171.11708	9.0
173.13269	5.6
174.48329	2.3
175.11212	2.6
175.14777	6.3
177.12778	5.5
179.14343	6.6
185.13219	4.1
187.14902	2.8
189.09094	2.5
189.11220	4.4
195.13802	10.9
197.13336	2.1
199.14691	3.4
203.07043	11.0
203.14227	2.2
204.07430	6.5
219.06546	9.3
220.07028	4.2
227.12721	12.1
233.15453	2.6
241.19730	4.9
259.20538	11.7
269.17471	37.2
277.21655	30.9
295.22787	3.2
347.17447	2.7
351.25363	31.3
353.24710	3.3
367.24820	4.7
423.27338	3.2
431.27704	4.1
445.29190	3.1
447.30740	3.0
453.33630	5.4
463.30563	39.1
517.38855	3.1
527.37689	4.7
541.83575	2.7
545.30725	4.0
545.38379	49.9
546.38574	5.2
563.39099	4.6
627.45673	5.7
646.73041	2.7
668.52509	2.6
698.42297	3.6
699.44391	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	698.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01867	7.5
55.05516	35.1
57.03436	8.7
57.07070	7.8
65.03945	5.3
65.48690	4.2
67.05508	73.1
69.07073	31.3
71.04992	8.4
71.08629	25.7
75.22147	4.4
79.05489	66.5
81.03415	8.7
81.07059	100.0
83.04988	20.6
83.08614	19.4
85.06546	7.8
89.89944	3.8
91.05478	52.9
93.03788	3.7
93.07044	67.1
95.04975	18.7
95.08604	39.4
97.06557	8.7
97.10162	9.7
98.23476	12.3
99.08096	12.3
105.07026	31.9
107.08604	39.9
109.06527	5.3
109.10150	20.2
111.08109	9.2
117.07011	15.8
119.08580	19.1
121.10139	21.5
123.11692	7.8
129.07040	5.4
131.08578	17.3
133.10133	19.4
135.08051	4.6
135.11678	12.6
143.08556	5.3
145.10118	11.9
147.11700	14.2
149.13223	23.4
151.11194	20.7
157.10078	6.8
159.11705	9.9
161.13231	7.7
163.11140	14.5
165.12761	5.0
177.12740	8.3
179.14330	5.8
195.13870	8.4
195.90852	4.6
227.12813	7.1
229.14322	6.5
231.21001	5.7
259.20621	6.3
269.17453	43.7
277.21552	36.5
318.74573	5.3
351.25165	40.1
354.79245	5.0
367.24771	5.3
463.30536	53.0
527.37030	12.4
545.38342	40.8
563.39026	8.8
699.27582	5.7
699.44220	27.2
705.73340	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	699.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95887	0.3
71.82949	0.3
82.48808	0.3
85.38583	0.3
91.05526	0.3
105.07058	0.4
131.41982	0.3
150.56961	0.3
185.04230	0.4
232.07097	1.1
259.07959	0.5
326.33209	0.4
347.09695	1.0
398.65292	0.4
537.30371	18.4
538.30847	0.9
583.72437	0.4
699.35626	100.0
700.36047	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	699.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.01866	0.5
55.05512	0.7
57.03431	1.1
61.02929	3.9
62.52623	0.3
67.05509	4.3
69.03439	2.5
69.07064	0.8
69.68780	0.8
69.69171	0.5
70.60926	0.3
71.01371	0.3
71.04994	3.5
73.02925	3.1
79.05486	2.4
81.03409	3.4
81.07050	3.0
83.04997	0.8
83.08630	1.0
85.02907	5.6
85.06576	0.4
91.03947	2.7
91.04974	0.5
91.05476	2.8
93.07055	2.7
95.04984	1.2
95.08629	1.4
97.02890	3.7
97.06550	0.5
99.04462	1.0
101.02368	2.1
105.07066	1.4
107.04957	0.5
107.08635	1.4
109.02854	0.8
109.10156	2.9
111.04552	0.4
111.08096	0.5
119.08600	1.8
121.10171	0.9
122.73639	0.3
127.03939	1.0
129.07050	0.5
130.29266	0.3
131.08585	0.8
133.10153	0.5
135.08101	0.3
135.11725	1.2
137.09673	1.3
145.04977	0.5
145.10130	0.3
147.11687	0.5
148.12048	0.4
157.10147	0.8
173.11783	0.4
175.11230	0.5
180.41689	0.3
185.04308	0.4
187.42812	0.3
193.12318	1.0
196.21608	0.3
211.13377	0.5
229.14575	0.5
243.08458	1.6
243.16061	0.7
248.24767	0.4
251.12607	0.9
253.14163	1.1
307.15320	0.4
427.19427	0.4
439.19540	0.4
453.21091	0.6
469.20459	5.4
469.26550	0.5
471.21988	6.0
699.35577	100.0
700.35950	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	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01869	0.6
55.05512	1.2
57.03460	1.6
59.05004	0.8
60.91262	0.3
61.02930	3.0
67.05500	2.4
69.03436	1.7
69.07069	0.7
71.01371	0.5
71.04997	1.1
73.02912	2.7
79.05497	2.6
81.03427	3.0
81.07052	2.3
83.04978	0.5
83.08617	0.7
85.02911	2.6
85.06530	0.4
86.83865	0.3
87.04464	0.4
91.03963	2.0
91.05482	1.7
93.07051	2.7
94.55753	0.3
95.04984	1.0
95.08620	1.2
97.02903	3.2
97.06535	0.7
97.10165	0.6
98.22710	0.8
99.04498	0.7
101.02394	0.8
105.07043	1.3
105.09821	0.3
107.04984	0.5
107.08600	1.9
109.02908	0.7
109.06528	0.5
109.10149	0.3
111.08049	0.3
115.03948	0.4
119.08601	1.0
121.10133	1.5
127.03942	1.3
129.07048	0.5
131.08589	0.9
133.10143	0.7
135.11702	2.6
145.04968	0.3
145.10179	0.7
147.11720	1.2
149.09679	1.6
157.10144	1.0
163.11226	0.7
163.99194	0.3
175.11159	0.7
181.12181	0.5
185.04253	0.4
193.12201	1.3
203.05359	0.3
221.11526	1.0
225.14882	0.4
243.08432	2.5
255.16023	0.5
267.16104	0.8
283.15204	3.5
339.17813	0.9
439.19388	9.9
440.19803	0.4
469.20767	0.6
501.23099	8.3
502.23663	0.4
699.35620	100.0
700.35925	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	699.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01880	0.3
55.05511	0.8
57.03452	1.9
60.31560	0.3
61.02925	3.5
67.05501	2.9
69.03432	2.0
69.07073	1.2
70.05131	0.7
70.05441	0.6
71.05000	1.7
73.02924	2.7
73.77012	0.4
75.93067	0.3
79.05478	2.2
81.03413	3.5
81.07058	3.0
83.04990	0.9
83.08632	0.8
85.02908	3.3
85.06574	0.5
87.04461	0.5
91.03951	2.0
91.05467	2.3
93.07045	3.7
95.04984	1.4
95.08630	1.0
97.02880	3.3
97.06552	1.1
97.10158	0.5
98.22684	0.4
99.04462	0.6
101.02393	1.2
105.07052	1.7
107.08594	2.8
108.02787	0.4
109.02933	0.5
109.10158	1.0
119.08601	1.9
121.10152	1.4
127.03933	1.5
129.07060	0.5
131.08598	1.0
133.10167	1.2
135.04425	0.9
135.11671	2.7
142.91219	0.4
145.10062	0.5
147.11743	1.3
149.09692	1.2
157.10138	0.8
175.04056	0.4
175.11160	0.9
181.12288	0.4
185.04198	0.6
193.12297	0.9
207.06554	0.5
221.11496	0.6
225.14920	0.5
229.50816	0.5
243.08504	1.9
255.15959	0.6
267.16141	0.6
277.14380	0.5
283.15189	3.0
302.68991	0.4
339.17825	1.0
341.58337	0.4
351.08820	0.4
439.19501	7.8
469.20630	1.3
471.22275	1.0
501.23068	10.7
504.94653	0.4
699.35571	100.0
700.36182	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	699.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24073	0.2
52.61486	0.2
55.05511	1.2
56.05029	0.3
57.03445	0.4
57.07078	1.7
58.06583	0.2
60.04532	6.1
67.05507	1.1
68.05029	2.4
69.07072	1.3
70.06569	0.2
71.04986	0.3
71.08625	1.0
72.04504	0.3
79.05485	0.6
81.07052	1.3
82.06590	0.6
83.04961	0.2
83.08621	0.9
85.10200	0.4
86.06070	1.6
93.07039	0.5
95.04982	0.4
95.08613	1.5
96.08141	0.3
97.10180	0.5
105.07004	0.3
107.08582	0.4
109.06525	0.3
109.10149	0.5
135.08037	0.2
145.10068	0.3
146.09615	0.4
149.02396	1.6
149.03470	0.3
155.03419	1.2
159.10358	0.2
193.05037	1.2
199.51665	0.2
212.23795	1.4
214.15909	0.3
229.09486	0.2
237.07562	1.1
240.26888	0.2
250.25308	5.2
260.16470	1.4
261.17059	0.2
268.26370	10.7
269.26767	0.3
281.10065	0.2
286.27414	100.0
287.27762	3.6
291.19705	0.2
414.19119	2.1
429.11780	0.2
503.29599	0.3
621.15936	0.3
642.41064	0.2
699.35712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.5
55.01873	7.1
55.05514	1.0
57.03434	4.8
61.02930	5.0
63.20242	0.7
67.05510	1.5
68.99784	1.9
69.03431	21.6
69.07068	1.5
71.04996	3.5
73.02921	5.9
77.03930	0.6
79.05486	2.6
81.02959	1.1
81.03421	23.1
81.07047	2.9
83.04961	0.9
83.08631	0.8
85.02909	54.1
86.03220	0.7
87.00832	19.7
87.04469	0.8
89.64847	0.6
91.03954	1.3
91.05481	5.0
93.07040	2.5
95.04967	3.0
95.08610	1.8
97.02895	20.4
97.06517	0.9
98.22602	1.1
99.04469	8.7
100.47969	0.5
101.02422	0.8
103.03944	1.1
103.05493	6.3
105.01871	18.8
105.04443	0.8
105.07031	3.9
107.04970	12.4
107.08588	1.0
108.04481	0.8
109.02883	20.0
109.06509	1.6
109.10144	1.2
110.09719	1.1
111.04433	2.7
115.03914	2.0
117.01855	2.8
117.06992	0.8
119.04944	1.2
119.08575	0.9
120.08120	1.0
121.06500	8.4
121.10129	1.2
122.06023	0.9
123.04440	17.9
123.08060	1.0
123.11664	0.9
125.05984	0.7
127.03921	32.0
129.01833	2.9
131.04929	9.2
133.06494	1.7
133.10187	0.7
134.06094	0.6
135.04417	14.5
135.08035	2.6
135.11702	1.6
136.07613	1.2
137.02303	1.7
137.05981	16.9
137.09645	0.6
137.13231	0.9
138.06760	1.0
138.09137	2.2
139.03932	1.6
139.07553	5.1
142.12254	0.9
143.04997	0.6
145.03857	0.6
145.04976	12.0
145.06554	1.1
145.10139	1.8
147.02876	1.7
147.04407	3.3
148.05119	0.7
149.04851	0.9
149.05989	11.7
151.07538	10.5
151.56281	0.5
158.07353	0.7
159.02893	11.2
159.04312	0.8
159.08040	0.7
159.11633	1.0
161.05994	3.5
163.03954	0.6
163.07532	2.9
164.08348	6.0
165.05486	1.3
165.06990	0.8
165.09071	1.4
166.08644	2.6
167.07074	1.0
167.08614	1.1
173.06035	1.2
173.09679	1.1
174.06731	1.0
175.07518	6.1
177.05539	0.7
177.09108	2.7
179.07007	0.7
179.08492	1.2
181.06540	1.0
183.07965	0.6
187.07535	0.7
187.11255	0.9
188.08311	3.2
189.03938	1.3
189.09099	4.6
191.07040	1.4
192.07826	1.0
193.08636	2.1
195.08029	3.8
196.08804	1.4
197.06039	1.5
198.06703	0.9
201.09178	1.1
203.06976	0.6
205.08551	3.3
205.12271	1.3
209.09570	1.2
211.07553	1.1
212.08362	2.1
213.03903	2.1
213.09082	2.1
215.10759	1.9
217.08646	1.4
219.08112	0.9
221.05930	1.0
223.07599	1.4
224.08344	1.3
225.09155	1.4
227.10670	5.9
229.08521	1.1
231.04977	7.4
233.11794	0.9
234.06929	1.0
237.10504	0.9
239.07133	1.3
240.07703	3.2
241.08636	2.8
242.09355	1.0
243.10226	0.9
245.11775	0.7
247.07568	2.0
248.08231	1.8
249.05864	2.5
251.08107	1.0
251.10793	2.1
254.09296	1.2
255.10179	3.3
258.08862	2.2
259.09741	1.0
261.09033	0.7
263.10822	1.6
264.07962	1.3
265.05310	0.7
265.09494	2.2
266.09323	3.8
267.06686	1.1
267.10464	0.8
268.07217	1.4
269.11697	5.1
270.08905	0.8
271.09695	3.0
272.10406	1.6
273.11221	100.0
274.11499	4.0
275.10349	0.9
275.13025	0.8
277.08694	1.4
279.07578	2.4
279.10367	1.4
280.08023	1.0
282.08795	4.7
283.09647	18.8
284.10037	0.7
285.11224	13.6
287.12936	0.8
287.23700	1.0
291.10141	2.5
292.08240	0.9
293.09280	3.0
294.09308	1.3
295.09622	10.7
296.10172	1.5
297.11218	64.7
298.11566	3.1
299.09695	0.8
299.12781	7.2
303.10165	1.4
305.24768	1.6
306.08963	0.9
307.09912	2.4
309.11224	9.2
311.12912	3.2
315.12286	19.9
316.12518	1.0
317.11740	0.9
319.09628	0.7
321.11224	6.4
323.25815	1.6
325.11469	1.6
327.12360	3.4
335.13150	2.9
338.08966	2.8
339.12305	11.3
345.11029	1.6
353.11087	7.7
355.13797	0.7
363.12317	13.5
364.12656	0.7
373.13940	1.3
375.10629	1.0
381.13333	12.0
385.13962	1.5
388.21118	1.1
399.14542	2.2
405.13684	0.8
441.15564	0.8
449.12265	0.8
467.13474	3.8
485.14413	8.8
486.14157	0.7
503.15549	0.9
506.19635	3.2
524.20490	0.6
538.21863	13.7
538.35870	0.6
539.22186	0.8
700.25513	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.5
55.01873	7.1
55.05514	1.0
57.03434	4.8
61.02930	5.0
63.20242	0.7
67.05510	1.5
68.99784	1.9
69.03431	21.6
69.07068	1.5
71.04996	3.5
73.02921	5.9
77.03930	0.6
79.05486	2.6
81.02959	1.1
81.03421	23.1
81.07047	2.9
83.04961	0.9
83.08631	0.8
85.02909	54.1
86.03220	0.7
87.00832	19.7
87.04469	0.8
89.64847	0.6
91.03954	1.3
91.05481	5.0
93.07040	2.5
95.04967	3.0
95.08610	1.8
97.02895	20.4
97.06517	0.9
98.22602	1.1
99.04469	8.7
100.47969	0.5
101.02422	0.8
103.03944	1.1
103.05493	6.3
105.01871	18.8
105.04443	0.8
105.07031	3.9
107.04970	12.4
107.08588	1.0
108.04481	0.8
109.02883	20.0
109.06509	1.6
109.10144	1.2
110.09719	1.1
111.04433	2.7
115.03914	2.0
117.01855	2.8
117.06992	0.8
119.04944	1.2
119.08575	0.9
120.08120	1.0
121.06500	8.4
121.10129	1.2
122.06023	0.9
123.04440	17.9
123.08060	1.0
123.11664	0.9
125.05984	0.7
127.03921	32.0
129.01833	2.9
131.04929	9.2
133.06494	1.7
133.10187	0.7
134.06094	0.6
135.04417	14.5
135.08035	2.6
135.11702	1.6
136.07613	1.2
137.02303	1.7
137.05981	16.9
137.09645	0.6
137.13231	0.9
138.06760	1.0
138.09137	2.2
139.03932	1.6
139.07553	5.1
142.12254	0.9
143.04997	0.6
145.03857	0.6
145.04976	12.0
145.06554	1.1
145.10139	1.8
147.02876	1.7
147.04407	3.3
148.05119	0.7
149.04851	0.9
149.05989	11.7
151.07538	10.5
151.56281	0.5
158.07353	0.7
159.02893	11.2
159.04312	0.8
159.08040	0.7
159.11633	1.0
161.05994	3.5
163.03954	0.6
163.07532	2.9
164.08348	6.0
165.05486	1.3
165.06990	0.8
165.09071	1.4
166.08644	2.6
167.07074	1.0
167.08614	1.1
173.06035	1.2
173.09679	1.1
174.06731	1.0
175.07518	6.1
177.05539	0.7
177.09108	2.7
179.07007	0.7
179.08492	1.2
181.06540	1.0
183.07965	0.6
187.07535	0.7
187.11255	0.9
188.08311	3.2
189.03938	1.3
189.09099	4.6
191.07040	1.4
192.07826	1.0
193.08636	2.1
195.08029	3.8
196.08804	1.4
197.06039	1.5
198.06703	0.9
201.09178	1.1
203.06976	0.6
205.08551	3.3
205.12271	1.3
209.09570	1.2
211.07553	1.1
212.08362	2.1
213.03903	2.1
213.09082	2.1
215.10759	1.9
217.08646	1.4
219.08112	0.9
221.05930	1.0
223.07599	1.4
224.08344	1.3
225.09155	1.4
227.10670	5.9
229.08521	1.1
231.04977	7.4
233.11794	0.9
234.06929	1.0
237.10504	0.9
239.07133	1.3
240.07703	3.2
241.08636	2.8
242.09355	1.0
243.10226	0.9
245.11775	0.7
247.07568	2.0
248.08231	1.8
249.05864	2.5
251.08107	1.0
251.10793	2.1
254.09296	1.2
255.10179	3.3
258.08862	2.2
259.09741	1.0
261.09033	0.7
263.10822	1.6
264.07962	1.3
265.05310	0.7
265.09494	2.2
266.09323	3.8
267.06686	1.1
267.10464	0.8
268.07217	1.4
269.11697	5.1
270.08905	0.8
271.09695	3.0
272.10406	1.6
273.11221	100.0
274.11499	4.0
275.10349	0.9
275.13025	0.8
277.08694	1.4
279.07578	2.4
279.10367	1.4
280.08023	1.0
282.08795	4.7
283.09647	18.8
284.10037	0.7
285.11224	13.6
287.12936	0.8
287.23700	1.0
291.10141	2.5
292.08240	0.9
293.09280	3.0
294.09308	1.3
295.09622	10.7
296.10172	1.5
297.11218	64.7
298.11566	3.1
299.09695	0.8
299.12781	7.2
303.10165	1.4
305.24768	1.6
306.08963	0.9
307.09912	2.4
309.11224	9.2
311.12912	3.2
315.12286	19.9
316.12518	1.0
317.11740	0.9
319.09628	0.7
321.11224	6.4
323.25815	1.6
325.11469	1.6
327.12360	3.4
335.13150	2.9
338.08966	2.8
339.12305	11.3
345.11029	1.6
353.11087	7.7
355.13797	0.7
363.12317	13.5
364.12656	0.7
373.13940	1.3
375.10629	1.0
381.13333	12.0
385.13962	1.5
388.21118	1.1
399.14542	2.2
405.13684	0.8
441.15564	0.8
449.12265	0.8
467.13474	3.8
485.14413	8.8
486.14157	0.7
503.15549	0.9
506.19635	3.2
524.20490	0.6
538.21863	13.7
538.35870	0.6
539.22186	0.8
700.25513	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66564	0.8
55.01868	1.6
55.05520	0.9
57.03435	1.7
65.03925	2.3
67.05499	1.9
69.03432	5.4
70.00071	1.4
70.00407	2.1
71.04977	1.4
75.04480	2.4
78.04728	1.1
79.05489	4.1
80.04464	1.0
80.05014	3.5
81.03424	2.7
81.07028	1.3
82.06561	1.1
83.04963	0.9
85.02911	12.2
87.04464	2.7
91.05475	9.3
93.03398	5.4
93.07041	6.0
94.06564	7.0
95.04962	14.1
95.07340	5.2
95.08598	1.7
96.08134	13.6
97.02908	4.7
97.06512	2.5
98.23428	1.0
99.04422	1.3
102.53659	0.9
103.03925	3.1
103.05451	5.2
105.04526	1.5
105.07035	5.8
106.04170	13.9
107.04990	2.3
107.07336	1.1
107.08559	1.1
108.08105	10.0
109.02870	2.3
109.06517	1.3
109.10125	1.1
110.09676	24.7
115.03937	5.7
116.04995	1.5
117.06966	1.1
118.06517	1.9
119.08585	1.1
120.04483	3.7
120.08108	15.9
121.06505	15.5
122.06025	2.0
124.07593	4.0
125.05985	4.3
127.03951	4.6
131.04951	3.0
133.02838	5.0
133.04941	2.4
133.06476	5.0
134.03639	1.2
136.07579	7.9
137.05965	3.8
138.05502	1.8
138.09135	42.7
139.07564	2.0
140.06519	0.9
144.04456	2.6
145.04961	4.2
145.10129	1.3
146.06007	3.9
148.05106	1.1
148.07576	8.7
149.05981	20.4
150.09161	1.4
151.07571	1.7
153.09096	5.4
156.10199	12.8
159.08000	1.1
160.03996	1.1
161.05948	6.6
162.05507	1.8
163.07558	3.4
165.05540	1.2
166.05026	2.8
166.08635	67.7
167.07002	3.0
172.03917	20.6
173.09604	1.8
174.05573	1.7
176.04671	0.9
177.05479	11.7
181.05000	2.3
181.08611	9.1
184.09721	4.3
188.07050	1.1
190.04953	9.4
191.07025	13.3
193.08691	6.9
204.06558	8.9
209.08101	40.7
212.09410	2.0
213.10248	1.0
224.09329	1.8
225.10252	4.1
227.11877	1.2
233.08092	2.5
234.99104	1.0
237.10201	9.6
238.10922	2.3
239.08060	2.4
239.11789	2.0
241.09679	3.1
247.14491	3.3
251.08157	2.6
251.11757	5.3
252.08983	2.3
253.09821	8.2
253.13249	0.9
255.11230	2.2
259.08154	1.1
265.09705	19.3
266.10379	2.6
267.11246	2.0
268.08664	1.2
271.10846	1.7
273.12289	4.5
275.08984	1.2
277.09317	3.0
278.06665	5.5
279.11203	7.6
280.08356	2.3
281.09201	5.3
281.12860	2.6
283.10712	6.0
285.12363	1.3
292.08142	1.9
293.09198	19.3
294.09854	3.8
295.10727	4.0
297.12347	5.0
299.10156	3.5
299.13553	1.4
300.11029	1.4
307.10800	3.6
309.12216	1.7
311.10153	2.5
312.10999	2.3
313.11673	5.6
321.08569	1.5
325.11780	22.4
326.12213	1.2
335.10181	6.0
340.10544	2.7
341.11044	16.2
353.11295	20.1
357.14417	4.6
373.13953	23.5
374.14374	1.5
385.13907	11.3
400.16254	1.1
407.13785	1.6
411.74112	1.0
418.17358	2.7
434.21506	3.4
446.17361	1.3
452.22791	11.0
460.18906	1.7
465.18900	4.6
474.15958	1.1
478.19827	7.9
488.18179	4.5
506.19235	100.0
507.19601	5.8
510.22504	1.7
520.20532	3.5
538.21826	42.6
539.22150	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	700.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25441	0.5
52.54937	0.6
53.03934	0.6
61.02913	0.6
65.03932	0.9
67.05502	1.4
69.03434	3.3
69.07059	1.6
70.57533	0.9
75.49197	0.5
77.58010	0.5
79.05506	2.9
81.03419	1.0
81.05781	0.5
81.07055	1.4
82.06580	1.0
83.92776	0.5
84.26627	0.5
85.02917	3.9
91.05479	2.0
93.05802	0.8
93.07034	5.6
94.06564	7.6
95.04972	1.2
95.07351	4.0
95.08590	1.4
96.08125	13.1
97.02893	1.1
97.06516	1.8
99.04449	1.0
103.05469	1.2
105.04459	0.7
105.07049	3.0
106.06526	0.8
107.08591	0.9
108.04526	0.7
108.08118	10.2
109.02894	0.6
109.10220	0.9
110.09675	19.7
115.03934	0.6
116.04983	1.8
118.06551	0.7
120.04469	4.9
120.08105	14.7
121.06506	1.9
121.10152	1.0
122.06026	3.6
122.09657	1.1
123.06779	0.9
123.11681	0.5
124.07589	3.8
127.03890	0.9
133.06462	1.1
133.10136	0.6
134.06036	1.1
135.11736	0.7
136.07582	8.1
137.05931	0.7
138.05511	4.1
138.09138	34.5
139.11180	1.1
144.04465	3.8
145.04942	1.1
145.10115	1.7
146.05994	4.1
147.04497	0.6
148.07565	5.6
149.13269	0.8
150.05597	0.8
150.09175	2.0
151.11247	0.7
152.07083	1.1
159.11719	1.3
160.03987	1.5
161.09723	0.8
162.05511	3.0
166.05009	2.7
166.08638	57.8
167.08974	0.9
172.03932	28.7
173.04507	0.5
173.09586	2.6
174.05479	1.0
178.04938	0.7
180.06621	0.9
185.87811	0.5
187.11165	1.0
189.09074	0.7
190.04984	12.0
192.06627	0.7
196.09833	0.5
198.11552	0.8
204.06557	16.7
205.12224	0.8
209.10846	1.6
211.12286	0.6
212.09372	2.9
213.10263	1.1
215.10735	1.7
216.06540	1.1
220.10057	0.5
222.07825	0.7
223.08644	1.0
223.12236	0.8
224.09485	1.8
225.10155	3.7
226.10960	0.8
227.11809	2.0
233.11684	1.7
235.08629	1.4
235.12289	0.6
236.09494	1.9
237.10223	8.7
238.10970	2.1
239.08153	1.1
239.11835	2.9
240.08943	1.0
241.09755	1.9
245.12970	1.4
247.14462	3.3
249.10207	1.3
250.07256	1.1
250.11057	0.9
251.08109	1.3
251.11830	6.8
252.08975	2.0
252.12546	0.9
253.09790	4.5
253.13470	1.2
255.11324	2.3
263.11829	1.5
264.08960	1.0
265.09708	16.1
265.12451	1.0
266.10443	2.7
267.11288	2.4
268.08395	1.1
269.12775	0.7
271.10800	1.9
273.12350	5.4
278.06580	4.8
279.11304	8.9
280.08505	1.2
281.09393	1.4
281.12866	2.4
283.10855	3.4
285.12308	1.0
289.09723	1.1
292.08081	2.5
293.09201	13.0
294.09900	2.9
295.10718	1.0
297.12357	5.3
299.10318	2.8
299.13522	0.8
300.11172	1.7
305.24838	1.8
307.10754	4.4
309.12332	2.8
311.10278	2.1
312.11002	2.9
313.11749	4.6
323.10339	0.9
323.25989	0.8
325.11807	18.5
326.12042	0.6
327.13333	0.8
335.10165	8.5
337.12296	0.8
340.10648	1.7
341.11331	14.8
341.15244	0.9
343.12988	1.0
353.11325	12.0
354.11795	0.9
357.14481	6.7
373.13919	10.4
374.14496	1.0
385.13904	5.3
418.17841	0.8
437.19550	0.9
460.18542	2.0
462.20636	1.0
465.19049	5.5
478.19794	4.4
487.16217	0.8
488.18063	6.1
492.21521	0.9
506.19232	100.0
507.19604	5.3
510.22324	1.7
520.20642	3.0
538.21869	26.2
539.22424	1.3
633.56836	0.6
668.23871	0.8
700.31335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.01872	1.4
55.05510	0.5
57.03439	2.9
59.61419	0.4
61.02928	3.8
65.03965	0.5
69.03427	7.9
70.06593	1.3
71.04988	1.2
73.02921	1.4
75.77647	0.4
79.05505	0.5
80.84276	0.5
81.03419	4.0
81.07048	0.5
83.01348	0.7
85.02907	44.6
87.04471	0.8
91.03956	2.0
91.05486	1.5
94.04189	1.4
97.02897	13.5
99.04488	2.0
103.03974	0.5
103.05492	2.3
105.07030	1.3
107.04961	1.0
109.02870	3.1
109.06517	1.3
111.04448	0.5
115.03913	0.4
115.05450	4.6
117.07027	1.3
119.04969	0.6
119.08602	0.8
121.06525	0.6
122.03680	2.4
124.26874	0.4
125.05989	1.5
127.03918	10.0
128.06271	0.9
129.07005	3.7
131.04924	3.9
133.06519	1.0
137.05978	82.0
138.06326	1.5
143.04930	8.7
144.05644	1.2
145.04967	17.4
145.06430	1.0
146.03572	0.5
147.04466	0.8
147.08049	1.2
149.05983	0.7
151.03944	0.8
151.07527	1.0
153.05533	2.2
155.04924	0.4
157.06500	3.7
160.05200	10.7
161.05989	4.6
163.03986	0.4
163.06017	5.7
163.07550	5.8
165.05493	0.5
172.05186	1.8
173.05968	1.0
174.06783	1.3
175.07545	100.0
176.07848	1.8
179.07057	0.6
185.06010	0.6
187.07542	29.8
188.07961	1.5
189.09094	7.4
191.06975	0.4
191.08543	1.4
193.08636	0.5
199.07556	1.7
202.07800	0.6
203.08536	1.0
205.08604	21.9
206.08720	0.6
211.07504	1.4
217.08650	3.9
218.07248	0.6
219.08138	2.4
220.08751	0.8
227.07060	0.6
227.10663	0.4
231.08070	2.1
235.09650	35.3
236.10022	0.9
236.25305	0.4
237.64529	0.5
239.06989	1.2
240.07845	0.4
241.08696	0.9
247.07481	1.4
248.08272	1.7
251.10704	2.8
255.06566	0.8
259.07510	1.3
260.08273	0.8
261.09109	0.5
263.10681	2.8
264.07739	0.8
270.08841	1.3
271.09723	3.3
273.11191	1.4
276.07733	1.7
277.08365	0.7
279.10141	3.9
280.10880	0.5
283.09720	0.9
291.10156	6.2
292.10825	0.9
293.08456	0.4
297.10983	0.5
308.10385	0.9
309.11087	0.5
311.12747	10.0
312.13306	0.5
323.12790	11.4
324.12912	0.5
325.14236	1.2
341.13858	13.5
473.31802	0.5
503.18875	1.0
700.28278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81794	0.3
55.01870	0.4
56.83825	0.3
57.03421	0.5
58.28037	0.3
61.02929	0.7
65.03949	0.5
66.03346	0.3
69.03426	1.6
69.66338	1.1
70.06589	1.2
71.04996	0.5
79.05493	0.5
81.03423	1.3
81.07059	0.4
85.02911	7.2
85.41556	0.3
91.03967	0.6
91.05480	0.7
93.03394	0.7
94.04182	1.3
97.02897	2.4
98.22687	0.5
100.58761	0.3
103.05470	0.8
105.87475	0.3
107.04914	0.4
109.02879	0.7
109.06542	0.9
111.04446	0.6
115.05441	5.1
117.07010	1.2
119.98927	0.3
122.03615	2.7
125.05993	1.2
126.05501	0.3
127.03918	1.3
128.06226	0.9
129.07010	3.4
131.04936	2.3
137.05980	74.9
138.06323	1.3
143.04924	9.6
144.05655	1.0
145.04999	2.4
145.06456	1.2
147.08028	0.3
148.85733	0.3
149.05989	0.4
151.03917	0.6
151.07541	0.7
153.05537	1.6
157.06479	5.2
159.08051	0.4
160.05191	13.3
161.05981	2.5
163.06258	0.4
163.07497	2.1
165.05391	0.5
172.05243	1.5
173.06000	0.9
174.06740	1.5
175.07545	100.0
176.07921	2.2
177.05469	0.4
177.09068	0.7
179.06963	0.6
180.08675	1.3
185.05988	0.5
187.07545	33.1
188.07892	0.6
189.09108	6.4
191.08617	0.8
193.08609	0.4
199.07588	0.9
203.08549	1.3
204.09155	0.3
205.08606	28.2
206.08960	0.5
211.07516	1.5
213.12357	0.4
217.08633	3.6
219.08095	1.7
220.08910	0.4
227.07077	0.5
231.08020	2.3
235.09651	40.7
236.10138	0.5
239.07007	1.5
247.07632	1.7
248.08301	1.6
251.10684	2.6
255.06461	1.5
259.07520	1.0
263.10715	1.9
265.08475	0.5
270.08896	2.3
271.09665	3.4
276.07770	1.2
279.10132	3.1
283.09653	0.9
287.08835	0.4
291.10168	6.9
292.10641	0.7
293.08145	0.5
296.10300	0.4
297.11130	0.4
308.10370	0.5
309.11374	0.6
311.12756	6.2
313.14420	0.6
323.12766	8.3
324.13220	0.7
341.13840	12.9
342.14355	0.5
418.27454	0.4
503.19241	0.5
505.28381	0.4
720.04480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00174	0.2
51.02375	0.3
53.03938	0.6
55.01870	0.7
57.03429	0.4
61.02919	0.8
65.03954	0.2
67.05500	0.5
68.99782	0.4
69.03428	2.3
69.30986	0.2
69.89009	0.4
70.06574	0.2
71.04990	0.5
71.70925	0.2
73.02909	0.6
77.03928	0.3
79.05495	3.5
81.03414	2.1
81.07054	0.3
81.45940	0.2
83.01335	0.5
83.04955	0.2
85.02401	0.4
85.02908	7.7
85.94643	0.2
86.09689	0.2
87.00828	2.3
91.05480	1.4
91.06000	0.2
93.07043	0.5
95.04957	1.0
95.08607	0.6
97.02886	2.6
99.04465	1.0
103.03955	0.3
103.05471	2.3
105.01881	1.9
105.07030	16.4
106.07359	0.2
107.04948	0.3
107.08606	0.8
109.02896	2.1
109.06541	0.3
109.10161	0.8
111.72108	0.2
115.05499	0.3
117.01792	0.2
117.07003	0.3
119.08568	1.0
120.05717	2.4
121.06512	1.7
123.08072	0.4
127.03913	3.8
129.01817	0.6
132.05699	0.2
135.08052	100.0
136.08374	1.7
137.05997	0.5
137.09621	1.2
145.04956	1.8
147.02853	0.4
147.08037	1.9
149.09612	0.4
150.06824	0.3
151.07533	0.6
159.02942	1.0
159.08061	0.2
161.09601	0.3
165.09114	32.5
166.09486	0.5
175.07509	0.2
177.09114	0.6
180.08540	0.3
187.07561	0.2
189.03908	0.3
189.09160	0.9
210.65865	0.2
213.03812	0.2
213.09122	0.2
231.05023	0.8
231.10185	0.4
239.10791	0.2
240.11163	0.2
241.12196	1.0
253.12192	0.3
253.29787	0.2
256.10989	0.2
267.13824	0.7
271.13391	0.8
272.13672	0.6
273.14844	62.7
274.15195	2.3
293.15253	0.3
295.13251	0.2
297.14825	4.4
309.14841	0.3
315.15894	1.9
339.15930	6.6
339.20065	0.3
349.85480	0.2
363.15860	2.8
381.16895	2.5
393.06500	0.2
397.97491	0.2
399.17969	1.0
467.16745	0.5
485.18085	3.3
503.18692	0.2
521.19897	0.2
699.47076	0.3
700.32953	0.3
700.47546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.40847	0.6
55.01870	1.7
55.05258	0.9
55.05511	13.5
57.03437	1.9
57.05985	0.6
57.07079	1.0
59.05000	0.9
61.02937	1.5
65.03936	0.5
67.05500	2.9
69.03429	8.9
69.07071	3.6
69.67031	1.4
69.67387	0.8
71.04990	2.3
73.02908	1.6
75.22466	0.5
75.54639	0.7
76.02244	0.5
79.05503	2.7
81.03410	5.0
81.07056	4.8
83.04980	9.4
83.08617	14.1
85.02901	26.4
85.06540	2.0
87.04462	7.3
91.03944	1.1
91.05464	2.9
93.07046	8.2
95.04970	18.0
95.08607	3.3
97.02321	1.1
97.02891	8.8
97.06504	3.1
97.10174	2.4
99.04463	6.4
99.08087	0.6
103.03921	0.8
105.07028	3.9
107.08582	11.9
109.02865	4.1
109.06518	5.4
109.10159	10.3
111.08072	2.9
115.03927	31.1
115.05443	1.2
115.07504	0.7
116.04332	0.6
119.08591	4.8
121.09251	1.2
121.10140	19.7
123.08055	1.9
123.11700	4.8
125.06007	0.6
125.09647	3.8
127.03902	13.7
127.07545	0.7
129.07047	0.8
131.08586	3.0
133.04962	11.5
133.10123	12.1
135.08035	3.2
135.11688	3.5
137.05983	14.2
139.11159	2.0
143.04927	1.9
145.04962	12.8
145.06444	0.8
145.10101	2.1
147.11703	3.0
149.09583	0.8
149.13268	4.7
151.11183	13.2
153.09131	7.9
157.05019	0.8
157.06436	0.6
158.10913	1.0
158.87498	0.6
160.03960	0.6
160.05074	2.8
161.05774	0.6
163.06006	3.1
163.07301	0.8
163.11290	0.6
163.14793	3.9
167.14322	18.3
173.05948	0.6
173.13283	8.5
175.07538	16.5
175.14751	4.6
187.07544	6.4
189.09111	1.7
191.14297	11.5
203.08511	0.6
205.08560	4.2
209.15364	100.0
210.15715	1.8
227.16396	8.0
230.60579	0.6
231.51692	0.6
235.09575	4.6
238.53065	0.6
241.07106	0.9
259.08099	4.2
277.09174	19.5
278.09372	0.7
278.17471	1.1
291.10208	0.7
299.16418	0.9
304.26575	0.6
311.12619	0.7
317.17416	0.6
320.18506	1.0
323.12686	1.1
341.13864	1.4
353.19565	0.9
371.20581	1.4
375.96710	0.6
412.65213	0.7
449.21405	0.8
467.22684	1.0
485.24002	0.7
559.94287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01860	2.2
55.05509	10.9
57.03427	4.3
57.07056	1.4
58.53604	0.9
59.04994	1.9
61.02923	3.9
67.05508	4.8
69.03430	21.6
69.07053	2.7
69.07424	0.9
70.06586	1.3
71.04989	5.2
73.02908	4.3
79.05488	4.4
81.03426	11.5
81.07049	8.0
83.04977	8.5
83.08614	14.6
85.02905	56.7
85.06542	3.4
87.03968	1.9
87.04465	19.7
91.03949	3.5
91.05481	4.4
93.07036	10.4
95.04967	44.3
95.08611	3.7
97.02890	24.0
97.06538	4.5
97.10141	1.2
99.04465	16.1
99.08090	1.1
103.03930	2.2
103.05467	1.2
105.07032	7.9
107.04928	2.0
107.08585	14.1
109.02888	9.9
109.06509	10.1
109.10162	10.7
110.09661	3.6
111.04387	1.1
111.08084	4.6
113.06037	1.4
114.34767	1.0
115.03932	78.7
115.07581	2.0
116.04265	1.2
117.07002	1.7
119.04930	2.7
119.08576	6.9
120.08075	1.6
121.06493	2.2
121.10140	20.9
121.10983	1.6
123.08074	2.6
123.11711	3.7
125.09609	3.1
127.03918	30.2
129.07011	1.5
131.08571	7.1
133.03943	1.6
133.04967	28.2
133.10132	19.9
135.08035	3.4
135.11682	3.7
136.07570	1.1
137.05977	12.9
138.12730	2.4
139.07536	1.1
139.11119	1.5
142.12294	2.6
145.04955	23.6
145.10100	5.5
147.04408	2.2
147.08028	1.6
147.11678	5.9
149.05971	1.2
149.13258	6.3
151.11169	9.8
153.09114	16.8
157.05023	2.1
158.10896	2.0
161.05933	1.5
161.09610	1.8
163.03760	1.1
163.06041	5.9
163.14877	5.8
166.08661	1.6
167.07054	5.8
167.14310	13.6
171.10144	1.4
173.09708	1.2
173.13272	23.7
173.95810	1.3
175.03853	6.5
175.07558	3.2
175.14839	11.9
177.34222	1.1
181.12273	1.1
187.07538	3.1
189.09088	1.7
191.14311	22.7
193.08649	1.9
196.36653	1.2
205.08611	1.6
207.06523	12.3
209.15367	100.0
210.15688	2.9
217.08557	6.0
227.16397	12.6
231.07817	1.1
233.15311	1.4
236.16533	2.0
241.06943	2.3
245.15288	1.2
251.10660	1.8
251.16379	2.4
259.08194	9.3
261.09152	1.4
275.16348	1.2
277.09171	33.9
278.09445	1.3
279.10016	1.4
279.21619	1.6
290.83466	1.2
294.20660	21.9
295.20975	25.4
296.21582	23.2
297.18759	1.9
297.22040	8.2
299.16498	3.0
311.12595	4.9
317.17496	5.1
318.00635	1.1
325.11047	1.4
335.18610	2.4
337.42062	1.0
341.13736	2.4
345.09787	1.5
353.13785	1.6
353.19675	3.1
371.14847	2.7
371.20596	1.8
405.20816	1.6
406.21768	1.7
424.22729	1.1
449.21356	1.9
467.22546	4.1
485.23495	1.4
522.29462	1.1
531.96814	1.1
700.31323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01873	2.2
55.05512	13.7
57.03441	2.9
57.07074	6.9
59.05000	1.6
61.02931	1.9
67.05506	14.4
68.99795	1.8
69.03433	13.1
69.07068	27.9
69.36112	3.5
69.36519	1.9
70.06599	1.0
70.21708	0.9
71.04989	4.9
71.08624	2.0
73.02918	2.3
74.48098	1.0
79.05492	13.0
80.59118	1.0
81.03430	7.2
81.03825	1.1
81.07059	54.4
83.04987	9.7
83.08620	17.8
85.02903	19.5
85.06539	4.4
87.00834	1.5
87.04461	5.6
87.60739	1.0
91.05481	11.3
92.03386	1.4
93.07043	38.7
95.04974	10.2
95.08609	39.4
97.02892	7.0
97.06524	9.4
97.10182	4.0
99.04469	4.7
103.03977	2.0
105.04539	1.2
105.07031	19.4
107.04971	4.2
107.08597	24.2
109.02864	6.7
109.06515	14.9
109.10159	24.0
110.07124	1.7
110.09671	1.7
111.04445	1.6
111.08087	12.4
111.11732	3.8
113.09587	1.2
115.03924	5.4
117.07030	3.2
119.04924	1.3
119.08585	15.1
121.06508	15.7
121.10145	39.4
123.04432	1.8
123.08109	6.2
123.11692	12.2
125.05983	2.9
125.09639	4.5
127.03933	8.3
127.07572	2.3
129.07005	1.5
131.08568	6.6
133.04994	2.5
133.06491	3.9
133.10143	15.3
134.06030	1.1
135.04382	1.8
135.08020	5.9
135.11681	10.1
137.05962	7.0
137.09586	6.5
137.13245	12.6
138.09132	1.6
139.03880	5.0
139.07549	4.8
139.11169	20.6
143.08565	2.6
145.04974	5.1
145.06396	1.6
145.10129	16.1
147.08083	2.2
147.11693	8.5
149.09642	2.2
149.13261	12.8
151.07568	1.4
151.11174	18.9
153.12747	3.1
155.10658	2.1
155.14331	2.1
157.04951	1.8
157.10121	3.3
159.08066	2.8
159.11705	6.4
159.32779	1.3
161.06094	1.3
161.09663	6.6
161.13237	4.3
163.11201	3.5
163.14853	4.8
165.09126	3.6
165.16412	1.7
166.08647	3.8
167.07069	2.5
167.10652	3.0
167.14290	6.2
169.12300	1.1
171.11752	2.2
172.04016	1.3
173.09650	10.2
173.13268	2.9
175.05930	1.0
175.11212	2.7
175.14827	4.2
177.12764	1.3
177.16418	2.6
179.10674	2.4
183.17462	3.6
185.13295	2.2
185.15399	2.4
187.11223	5.0
187.14816	2.5
189.09145	1.1
189.16368	6.0
193.12260	3.0
193.15886	1.5
197.09654	1.1
199.14783	1.3
200.49301	1.0
203.07042	1.8
203.18036	3.6
205.08604	1.8
205.12218	6.8
213.16498	2.1
215.10655	9.2
217.07048	1.6
217.19507	2.6
219.21091	1.8
229.19550	3.3
233.11807	7.2
235.20671	2.8
243.21019	1.5
245.11755	3.5
257.22543	1.9
259.24130	2.4
261.22174	1.4
269.11789	2.1
269.22632	3.8
275.12683	6.0
275.23706	2.2
277.09271	1.8
277.25156	1.5
279.23196	4.3
285.11429	1.1
287.12823	3.8
287.23666	12.3
293.24765	7.7
305.24759	53.0
306.25095	1.9
311.13162	1.3
311.26056	1.4
317.13782	1.5
323.25793	100.0
324.26163	3.7
331.99161	1.1
337.12805	3.2
341.26865	20.4
355.13742	2.0
359.27951	9.6
365.14001	1.5
382.00403	1.1
383.14853	2.0
388.21411	2.5
502.35358	1.2
506.19308	5.3
620.86292	1.2
650.35815	1.1
700.32977	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	700.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01871	2.1
55.05262	1.0
55.05514	12.2
57.03436	2.1
57.07077	8.5
59.04995	1.6
61.02928	1.2
65.03925	0.8
66.01160	0.7
67.05502	11.4
68.99792	0.7
69.03427	6.0
69.06715	1.7
69.07072	26.8
70.65736	1.0
70.87404	0.7
71.05000	4.1
71.08615	3.1
71.46758	0.8
79.05495	11.1
79.90645	0.7
81.03404	2.4
81.07057	43.1
83.04984	9.3
83.08625	20.8
85.02901	9.9
85.06554	4.6
85.10189	1.0
87.04448	2.1
90.45092	0.7
91.05466	7.7
91.10445	0.7
93.07044	34.9
94.60002	0.6
95.04977	8.8
95.08607	38.8
97.02876	2.9
97.06542	9.0
97.10159	6.1
99.04436	1.6
99.08147	1.5
101.06014	1.0
103.03953	0.9
105.07040	13.3
107.04964	1.2
107.08593	24.3
109.02874	2.1
109.06515	12.2
109.10158	23.4
110.07230	0.8
111.07330	1.0
111.08085	14.1
111.11710	2.9
115.03925	1.2
117.07023	2.1
119.04952	0.8
119.08574	13.7
121.06517	4.9
121.10146	32.1
123.08056	3.6
123.11710	10.3
125.05986	1.9
125.09611	3.1
125.13294	1.2
127.03905	3.0
127.07562	2.1
127.11193	1.0
129.06989	1.2
131.08556	4.3
133.06511	1.1
133.10132	10.2
135.08057	2.9
135.11697	7.7
137.05984	2.3
137.09625	5.7
137.13263	10.5
139.03899	1.8
139.07532	4.9
139.11176	3.3
143.08557	1.2
145.04942	2.9
145.06429	0.9
145.10117	6.1
147.04449	1.6
147.08043	1.0
147.11685	7.5
149.09607	3.0
149.13263	11.4
151.07588	1.7
151.11194	2.3
151.14830	1.8
153.12756	1.1
155.10667	1.9
157.08658	1.4
157.10114	2.9
159.11693	6.1
161.09605	3.0
161.13261	5.2
163.11192	2.1
163.14838	3.7
165.09094	1.5
165.12689	1.8
165.16367	1.7
166.08705	1.5
167.07042	1.2
167.10660	2.6
167.14328	2.8
171.11699	1.6
173.09628	2.3
173.11899	1.2
173.13303	3.3
175.11121	1.9
175.14806	3.5
177.16417	3.1
179.10651	1.6
181.12262	1.2
183.17502	3.1
185.13211	1.4
187.14793	2.7
189.16370	5.2
191.14316	0.9
191.17905	1.2
193.12184	1.5
193.15858	1.1
195.17332	1.2
201.16388	1.2
203.18013	3.5
207.17441	1.9
209.19060	1.1
211.16974	1.2
213.16351	2.5
215.10692	1.6
215.17897	1.0
217.19554	2.4
219.21094	1.3
221.19011	1.8
227.18005	1.2
227.20029	1.3
229.19499	3.3
233.11742	1.1
233.19104	0.9
235.20551	3.3
243.21114	2.1
245.11655	2.1
253.60689	0.8
257.11581	1.1
257.22589	1.3
259.24222	3.5
263.23645	1.5
269.11911	0.8
269.22668	5.6
275.12781	1.1
275.23724	1.8
275.77551	0.8
277.25278	2.5
279.23215	5.9
287.23688	12.7
293.24728	8.6
305.24750	55.3
306.25055	2.2
311.12692	1.2
311.25757	3.0
323.25793	100.0
324.26154	3.2
341.11166	0.8
341.26880	13.8
359.27945	12.3
388.71817	0.9
389.21463	0.9
506.18860	0.9
520.36017	1.5
538.37189	1.5
689.21399	0.9
700.32593	3.2
701.34723	0.9
701.48688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05294	0.6
55.05515	5.8
57.03440	3.7
57.07077	46.8
58.07406	0.5
58.99449	0.4
61.02927	17.1
65.03946	0.5
67.05505	13.2
69.03431	2.3
69.07068	9.8
69.38188	2.4
71.04993	0.8
71.08630	36.8
73.02914	6.6
75.04488	2.2
79.05486	1.3
81.03436	1.0
81.07057	19.6
82.07317	0.5
83.04990	0.8
83.08620	11.7
85.02906	19.4
85.06514	1.0
85.10182	20.9
87.32083	0.5
89.06010	1.0
91.03957	16.4
91.05459	0.6
93.07038	1.3
95.08605	30.5
97.02893	8.9
97.10171	11.6
99.04461	1.0
99.08096	0.5
99.11726	1.8
101.95683	0.5
103.03940	0.7
103.07572	0.9
105.07053	0.4
107.08609	0.5
109.02888	0.6
109.10152	14.1
111.11723	4.6
113.13293	0.5
115.03944	1.1
123.11699	5.9
125.13268	1.3
127.03906	6.1
127.14799	0.5
137.13277	2.9
145.04947	8.1
151.14876	0.8
163.06023	13.6
165.16357	0.6
184.07365	1.0
191.29762	0.5
197.92010	0.5
249.25911	1.0
251.79324	0.5
267.26825	19.2
268.27136	0.8
285.27859	4.4
291.44937	0.4
298.48538	0.5
326.30496	0.7
341.30499	100.0
342.30820	3.5
359.31552	42.9
360.31976	1.5
372.69138	0.5
503.35559	0.5
700.44714	5.8
701.45447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61513	0.2
69.71313	0.2
70.50484	0.4
73.23187	0.2
80.07392	0.2
81.07043	0.3
88.07629	0.3
108.80299	0.2
149.02397	0.5
172.07458	0.2
185.04254	0.5
193.05046	0.2
203.05289	1.6
215.04012	0.2
248.48039	0.2
256.26465	0.3
259.07861	1.1
305.08301	0.3
320.33023	0.2
321.22818	0.3
332.29581	0.2
347.09326	1.0
365.10556	3.0
421.13013	1.3
473.15683	0.2
539.31915	18.2
540.32446	1.2
669.63354	0.2
701.37158	100.0
702.37598	8.8
702.47186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51812	0.5
56.35809	0.6
57.05294	0.4
63.09924	0.6
68.09367	0.5
69.37662	0.5
85.39916	0.5
88.07642	0.7
88.69779	0.5
98.43844	0.5
99.26549	0.5
105.42598	0.6
149.02406	0.7
158.39780	0.5
171.13901	0.5
171.81500	0.6
185.04158	0.9
193.05013	1.0
256.26343	0.7
259.07736	0.6
321.22424	0.5
328.49884	0.6
347.09528	1.4
429.11856	1.2
539.31885	20.5
540.32013	0.9
641.25659	1.3
665.24390	0.7
701.37183	100.0
702.37671	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	702.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03947	4.4
55.01874	7.1
57.02687	0.5
57.03442	4.9
58.07924	0.5
59.04971	0.6
61.02927	4.1
65.03926	1.2
67.05496	1.2
68.99796	2.6
69.03429	23.4
69.07096	0.8
71.04983	3.8
71.05538	0.6
73.02923	4.6
77.03920	0.6
79.05518	2.8
79.05952	0.6
81.03418	25.1
81.07055	2.0
82.03710	0.6
83.01343	0.8
83.04971	1.1
83.08588	0.7
85.02908	58.8
87.00829	20.4
87.04463	1.1
88.01189	0.6
91.03958	2.2
91.05481	24.2
93.07050	0.8
95.04987	2.8
95.08633	1.0
97.02894	22.6
97.06549	0.9
99.04457	9.4
101.02370	0.7
103.05468	2.4
105.01867	14.7
105.02537	1.1
105.04556	0.7
105.07033	12.5
106.07391	0.7
107.04972	2.5
107.08646	0.7
108.04472	0.7
109.02882	23.1
109.06528	2.6
115.03911	0.5
115.05480	1.9
115.49307	0.6
116.04248	0.6
117.01820	3.4
119.04947	14.3
119.08612	1.4
120.05751	2.1
121.06516	5.5
123.03531	1.2
123.04427	25.1
125.06026	1.0
127.03918	31.7
127.55746	0.5
129.01836	3.2
129.06998	1.1
131.04965	1.5
133.06482	2.0
133.10144	0.6
135.04425	1.9
135.08055	6.3
137.05981	82.4
138.06360	0.7
139.07562	2.4
142.12337	0.7
143.04909	1.7
145.04968	14.0
145.06342	1.0
145.10135	1.7
147.02943	1.4
147.04446	3.0
147.08038	1.3
149.05989	4.8
149.09625	1.1
150.06786	4.5
151.07550	21.8
151.08740	1.3
152.08299	2.4
153.09126	2.2
157.06480	1.0
158.07315	0.7
159.02888	9.6
159.08040	1.5
159.11612	0.7
161.05977	4.1
161.09636	1.6
163.07552	2.0
164.08392	1.9
165.05464	1.5
165.09120	61.0
166.09454	1.5
171.08018	0.6
173.06065	1.0
173.09669	2.4
174.06689	1.1
175.07564	5.8
177.05429	0.7
177.09126	3.0
178.09880	0.6
179.07028	1.2
179.10672	1.9
184.61400	0.6
185.05983	1.1
187.07607	0.7
187.11279	0.9
188.08359	0.8
189.03938	1.1
189.05544	1.6
189.09088	8.1
190.09875	0.7
191.10698	0.8
193.08644	1.0
201.05721	0.5
201.09164	1.3
203.07019	0.9
203.10664	2.5
205.08569	1.9
207.08229	0.7
207.10155	1.4
212.08397	0.8
213.03925	2.4
213.09122	1.0
215.10696	1.7
224.08269	0.6
225.08986	1.2
227.07076	1.5
227.10699	2.4
229.08658	0.7
229.12250	1.9
231.04979	6.5
231.10104	1.0
233.11723	1.0
240.07875	0.7
241.08559	1.9
241.12204	1.0
242.09428	0.8
243.10159	1.8
249.06071	1.2
250.06213	0.6
251.10580	0.6
254.09386	0.6
255.10155	2.7
256.26999	0.6
257.11728	1.9
267.10211	1.4
268.10956	1.0
269.11786	1.4
270.09027	0.7
271.09680	1.1
271.13263	0.6
273.11343	2.9
274.11725	0.7
275.12781	100.0
276.13046	3.3
279.10281	0.9
281.11832	0.9
283.09659	8.3
284.10434	2.0
285.11230	13.9
287.12784	39.8
288.13123	1.9
291.10211	1.6
295.09567	1.5
297.11316	3.4
299.12784	25.3
300.13269	1.0
301.10767	3.6
301.13882	0.7
301.53091	0.6
305.11630	0.9
307.09702	1.7
308.10327	1.0
309.11176	2.5
311.12750	2.1
313.14334	2.2
317.13852	37.5
318.14276	1.3
319.13089	1.2
321.11069	0.8
323.12756	2.3
325.10767	0.9
329.13724	0.8
333.11234	1.5
334.11890	0.8
335.12860	0.7
337.14258	2.5
341.13837	26.4
342.14020	1.6
347.12805	3.2
353.13712	1.7
355.15250	1.5
365.13852	43.0
366.14102	2.2
383.14886	47.9
384.15161	3.2
401.15927	2.4
407.15271	0.7
425.15808	1.2
451.13745	0.9
469.14911	8.8
487.15973	10.6
505.16895	1.9
701.49213	2.2
702.49731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61708	1.3
53.03957	9.8
53.45053	1.4
55.01871	10.1
57.03440	6.2
61.02938	6.8
65.03944	1.8
67.05518	2.4
68.99796	4.5
69.03428	31.0
69.07091	1.6
69.20025	8.0
70.06581	2.3
71.04976	4.2
73.02924	6.5
79.05487	9.9
81.03422	34.2
81.07059	16.7
83.01353	1.7
84.08148	1.9
85.02905	78.1
87.00835	28.7
87.04496	1.4
91.05471	8.3
93.07056	1.9
95.04969	8.3
95.08638	2.0
97.02892	24.3
97.06564	1.7
99.04456	14.0
103.05486	4.2
105.01877	17.0
105.07035	16.6
107.04939	12.2
107.08598	2.1
108.77472	1.5
109.02879	33.6
109.06515	22.4
111.04456	2.9
115.05424	1.7
117.01862	5.5
117.07042	2.8
119.04942	2.6
119.08600	2.3
119.33791	1.5
120.05715	2.0
121.06475	8.5
123.04431	30.6
123.08031	1.5
125.05990	2.9
126.49916	1.4
127.03912	40.5
129.01863	4.0
131.04906	2.0
133.06487	2.3
135.04414	11.1
135.08049	8.1
136.07570	3.3
137.05977	92.2
138.06366	1.5
139.07567	6.3
145.04973	15.5
145.06418	2.6
147.02956	2.2
147.04422	9.4
147.07991	2.0
149.06004	5.5
149.09573	1.6
149.85687	1.8
150.06773	5.1
151.07536	32.9
152.08302	4.3
153.09091	8.3
157.06381	1.6
159.02905	14.9
161.06032	11.1
163.07602	4.0
165.09119	84.7
166.08641	2.7
172.03967	3.7
173.06056	2.1
174.06750	4.0
175.07552	10.5
176.08258	1.6
177.05521	1.6
177.09119	5.3
178.09932	2.9
179.10696	4.2
181.05042	1.8
182.65833	1.5
188.08401	2.8
189.05519	5.1
189.09091	14.9
190.09856	2.3
193.08736	2.0
201.09106	2.4
203.10716	3.2
204.06618	5.7
205.08644	2.8
207.10182	3.1
212.08412	2.3
213.09154	1.7
219.10075	2.4
227.07094	2.8
227.10687	3.6
229.08543	1.9
231.05048	4.9
231.10146	1.7
241.08549	2.5
242.09380	2.0
243.10120	4.3
251.07033	1.7
255.10226	6.9
267.10355	2.0
268.07269	1.8
269.11420	2.1
271.09552	2.0
273.11246	4.3
275.12772	100.0
276.13144	4.1
283.09644	7.9
284.10413	2.0
285.11221	31.4
287.12772	53.1
288.12927	1.7
293.08124	4.7
294.08908	6.1
295.09561	3.2
296.10443	2.6
297.11304	3.4
299.12753	42.9
300.13467	1.7
301.10818	4.1
305.11612	2.3
307.09518	2.1
309.11139	12.2
311.12869	2.6
313.14355	5.5
317.13837	51.6
321.11356	2.0
322.12018	2.1
323.12729	8.8
325.11893	3.8
333.11215	3.0
337.14450	2.0
341.13815	40.0
347.12784	2.1
355.15665	2.1
365.13843	76.0
374.03906	1.8
383.14920	64.3
384.15283	3.0
401.16159	3.3
451.13998	4.5
469.14902	17.0
487.16165	14.0
505.16946	3.1
508.20514	2.4
702.27802	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	702.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50277	1.1
51.05115	1.2
53.03952	1.1
55.01870	1.4
55.05516	8.9
57.03436	6.3
57.07068	3.9
57.09176	1.1
59.05008	3.3
61.02932	1.8
63.61243	1.1
65.03938	3.2
67.05508	64.3
69.03436	1.5
69.07053	6.7
70.06590	8.5
71.04990	3.0
71.08607	2.4
73.61668	1.2
79.05492	17.7
81.03416	1.8
81.07059	20.3
83.04981	1.8
83.08645	6.3
85.06539	2.0
88.07626	6.2
91.05484	20.8
91.06049	1.4
93.07041	20.3
95.04985	2.3
95.08610	12.3
97.02884	1.6
97.10175	2.0
102.09190	5.7
103.05510	1.6
105.04544	1.6
105.07034	22.7
107.08587	12.7
109.10158	52.4
111.08096	2.9
117.07037	5.3
119.08582	26.1
121.10152	6.3
123.11636	1.2
125.09644	1.9
129.07056	4.0
131.08575	9.7
133.10135	15.6
135.08012	1.9
135.11655	6.9
137.09647	1.7
143.08592	5.3
145.10103	8.2
147.11693	17.9
149.02356	15.7
149.03427	1.7
149.13290	4.4
155.10626	2.2
157.10172	3.9
159.11723	6.4
161.13257	10.7
169.26944	1.0
171.11697	6.6
173.11772	13.0
173.13283	4.3
175.14816	5.7
185.13281	2.5
187.14902	1.0
189.11191	1.3
189.16502	1.3
193.04974	11.4
199.14832	2.8
213.16512	1.3
217.19830	1.4
227.12837	4.9
229.14345	50.1
231.21100	3.1
237.07672	2.2
241.19495	14.0
256.26352	12.7
259.20587	41.0
260.20764	1.4
261.22269	3.2
269.04922	1.3
300.28842	1.6
315.23145	2.5
333.24240	33.7
347.09753	1.3
365.10623	1.5
385.09317	4.8
395.29520	1.4
403.10349	3.2
407.10651	1.1
429.11920	5.8
473.14651	3.8
487.34137	16.0
489.92627	1.3
505.35239	19.8
539.31830	1.6
540.32336	8.6
541.34552	2.1
631.38470	1.9
702.37750	100.0
703.37958	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	702.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01870	3.2
55.05514	42.1
57.03440	16.0
57.07086	7.9
59.04992	1.1
61.02920	2.9
65.03954	2.2
67.05507	51.3
69.03446	6.8
69.07069	16.3
71.05016	1.2
71.08633	3.5
79.05497	36.8
80.05838	1.2
81.03423	7.8
81.07060	50.7
82.13055	1.0
83.04984	3.5
83.08624	31.5
85.02896	2.9
85.06532	1.7
85.10196	1.8
89.05995	1.3
91.03971	1.9
91.05502	14.0
93.06451	1.9
93.07044	34.1
95.04962	6.0
95.08607	33.3
97.02902	2.4
97.06556	1.5
97.10173	55.7
98.22620	2.7
105.04543	1.5
105.07009	9.6
107.08599	32.2
109.06536	2.0
109.10159	17.0
111.08119	3.1
115.35807	1.1
117.07021	6.3
119.08585	7.6
121.10141	13.2
123.11707	3.8
123.63357	1.3
125.09635	56.2
126.26646	1.2
128.12334	1.1
129.07005	2.4
131.08563	6.0
133.10141	7.6
135.08075	7.0
135.11716	9.2
137.13229	1.9
143.10692	2.9
145.10130	6.1
147.11745	3.1
149.13280	5.2
153.09103	3.7
157.10164	1.9
159.11717	3.8
161.13309	3.9
163.14873	3.1
171.10213	4.4
173.13286	4.6
175.14822	1.8
177.16428	2.0
181.17931	1.2
184.07329	2.0
189.11221	41.0
193.12286	2.7
227.12775	69.3
227.20070	4.2
228.13229	1.4
243.21100	7.1
245.13844	100.0
246.14136	2.3
261.22150	28.7
267.15945	10.4
277.21506	1.5
279.23175	3.1
313.27393	12.7
317.24664	5.2
335.25812	84.9
336.26126	3.9
431.31787	1.6
487.34253	6.8
505.35001	63.5
506.35638	4.1
523.36469	3.9
547.39532	1.9
604.61060	1.2
702.47968	2.0
703.36115	1.7
703.47632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01868	3.0
55.05510	37.8
57.03437	10.7
57.07073	3.6
61.02921	2.5
67.05505	39.3
67.21119	1.0
69.03436	5.2
69.07069	11.6
69.61105	3.7
71.05009	1.5
72.86005	1.1
73.02917	1.9
73.06607	1.0
74.86475	1.0
79.05492	29.2
81.03412	2.8
81.07059	33.2
83.04992	3.8
83.08620	24.7
83.09099	1.8
85.02881	2.2
85.06550	1.3
85.94736	1.0
91.05484	11.0
93.07046	20.9
95.04980	3.0
95.08605	22.2
97.02872	1.4
97.10169	52.2
105.04495	1.3
105.07023	8.5
107.08599	22.0
109.10155	12.4
111.08115	2.0
113.72733	1.1
117.07032	3.8
119.08584	5.4
121.10153	9.5
123.11697	4.8
125.09634	46.6
131.08585	6.5
133.10153	3.9
135.08096	5.2
135.11685	6.7
137.13361	1.6
143.10670	1.2
145.10146	4.5
147.11716	4.1
149.13235	3.3
153.09106	2.7
159.11739	3.5
161.13287	2.3
163.11140	1.2
163.14801	2.5
171.10194	3.8
171.30942	1.1
173.13255	3.7
175.14839	1.2
184.07327	2.4
187.14815	1.5
189.11223	36.1
227.12767	66.0
228.13008	1.6
243.21162	6.4
245.13852	100.0
246.14223	3.4
261.22134	25.2
267.16010	2.9
279.23212	2.7
313.27325	4.4
317.24921	3.4
335.25790	65.3
336.26190	2.3
353.27039	1.2
431.31573	2.7
487.34213	7.8
505.35202	36.7
506.35370	2.3
523.36066	3.3
702.46509	3.6
703.47156	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	703.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29383	0.1
55.05515	0.1
57.07077	0.2
69.03427	0.3
69.07058	0.2
69.56641	0.3
71.04983	0.1
79.05498	0.2
81.07040	0.4
83.04955	0.1
83.07353	0.2
85.06562	0.2
86.06041	0.2
86.09673	0.1
88.60268	0.1
91.05476	0.3
93.07041	1.1
95.04948	0.1
95.08594	0.3
96.08150	0.1
98.22744	0.2
105.07026	0.5
106.06571	0.2
107.08588	0.2
108.08101	0.2
109.06506	0.1
109.08883	0.1
111.08096	0.3
119.04970	0.2
119.08570	0.3
121.06509	0.6
122.09628	0.2
123.08119	0.2
123.11704	0.2
124.11190	0.2
133.06480	1.0
133.10144	0.1
135.11690	0.3
136.11179	0.2
137.09619	0.1
138.12769	0.3
147.08041	0.3
148.11139	0.2
149.08424	0.1
150.09135	0.1
152.07095	0.1
161.13228	0.2
162.12807	0.6
176.14261	0.1
177.12744	0.5
178.15910	0.3
179.14310	4.3
185.39766	0.1
188.14374	0.2
189.12732	2.7
193.07428	0.1
194.11842	0.1
204.17514	0.4
206.15404	5.4
207.13824	2.7
207.15697	0.2
208.13315	4.8
222.18658	0.1
224.16449	7.7
250.18007	1.9
268.19067	100.0
269.19409	2.7
269.22366	0.1
269.36401	0.1
436.19736	1.5
458.17657	0.1
636.95105	0.1
673.09888	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	703.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09706	0.7
96.92712	0.7
136.68915	0.5
184.07370	0.9
185.04286	0.6
347.09491	1.1
424.38101	0.7
541.33472	21.0
542.34485	0.9
703.38678	100.0
704.39044	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	703.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11643	0.4
53.71846	0.4
53.77037	0.4
61.55301	0.5
69.53074	2.1
118.43687	0.5
121.44727	0.5
123.03894	0.4
125.70195	0.4
159.83078	0.4
167.10039	0.5
169.18611	0.4
173.22644	0.4
185.04198	0.5
203.05327	1.4
223.20151	0.5
259.07944	0.9
347.09644	1.6
365.10611	2.6
421.13324	1.3
505.41635	0.6
541.33459	19.4
542.33917	0.6
653.25958	0.5
703.38715	100.0
704.39148	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.8
57.03409	0.6
61.74814	0.4
67.05508	1.9
69.07063	0.7
69.14131	0.5
69.23202	1.4
69.23602	1.2
71.08629	0.7
79.05495	1.5
81.07039	2.2
81.19359	0.5
83.08641	0.8
84.15640	0.4
89.06061	0.9
91.05500	1.8
91.41951	0.4
93.07045	1.3
95.08592	1.1
98.22717	0.9
105.07047	1.1
107.08612	1.1
109.10143	0.5
112.21835	0.4
133.08630	0.8
133.10168	0.4
135.11766	0.4
139.11200	0.5
170.22202	0.5
206.14740	0.4
335.21948	7.2
385.26804	0.4
391.24469	4.1
414.24518	0.5
622.89331	0.5
692.96973	0.5
703.47504	100.0
704.47833	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	704.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80762	0.7
53.03942	1.2
55.01886	1.1
57.03410	0.8
60.66841	0.7
61.02932	0.8
65.03944	1.0
67.05496	1.7
69.03440	3.4
70.06577	1.2
70.68819	1.1
70.71464	0.7
79.05487	3.3
79.66340	0.6
80.05035	1.5
80.72482	0.7
81.03422	2.1
81.07059	0.7
82.06562	1.9
83.04930	0.6
85.02907	8.8
91.05496	3.8
93.03396	1.2
93.07063	6.8
94.06569	6.9
95.04972	2.9
95.07358	8.3
95.08588	0.9
96.08134	22.0
97.02897	2.7
97.06544	3.7
103.05473	2.6
105.05734	0.7
105.07063	0.9
106.04189	1.9
107.04942	0.8
107.07337	1.5
108.08114	15.7
109.02866	1.8
109.08963	1.1
110.09681	39.0
115.03934	0.7
120.08108	24.9
121.06539	3.4
122.05995	0.9
122.09689	1.6
123.06828	1.4
123.45017	0.7
124.07610	1.8
125.06005	1.2
127.03941	3.1
127.07542	6.5
136.07590	10.4
136.11246	2.7
138.05542	1.0
138.09140	46.3
145.04939	1.3
146.06084	3.5
146.09712	0.7
148.07571	9.1
149.06010	4.5
150.09117	4.4
151.07401	0.8
153.09138	1.0
154.08665	1.4
155.07094	1.8
164.14322	1.0
166.08640	87.7
167.07048	8.8
167.08438	0.7
167.09035	1.1
174.05522	1.2
177.05472	2.4
181.05084	0.7
181.08649	1.4
183.06577	3.1
189.09174	1.7
191.07040	1.6
193.08614	1.0
206.08104	1.0
209.08095	10.7
211.08679	2.1
212.09395	0.8
213.10234	1.2
222.07816	1.1
223.08672	1.7
224.09389	1.6
225.10258	5.3
227.08203	2.4
237.10229	11.7
238.10835	1.8
239.08133	6.4
239.11861	2.4
241.09724	4.2
247.08699	1.1
248.09663	1.0
249.10297	0.9
251.08131	4.1
252.08826	1.3
253.09741	14.1
255.11317	4.3
259.09692	2.0
265.09723	26.1
266.10327	3.0
267.07687	4.2
267.11185	7.5
269.09216	2.8
275.07864	0.8
277.09827	1.3
279.07779	1.2
280.08453	0.9
281.09189	19.0
282.09955	1.6
283.10794	15.2
283.85806	0.7
287.10303	3.7
293.09189	18.0
294.09906	1.8
295.10764	18.7
295.13928	1.3
297.09070	1.0
297.12418	1.2
299.10269	6.2
301.11877	3.0
307.10657	0.9
307.32257	0.7
309.08844	4.4
311.10242	17.6
311.13782	1.3
312.10712	1.2
313.11627	3.7
318.16946	5.3
321.08658	11.4
325.11588	1.0
327.09787	19.5
330.12268	0.9
331.13083	1.9
339.09763	32.4
340.10114	1.8
341.11337	2.8
344.14093	0.9
345.13559	1.0
353.11328	5.6
356.13733	0.8
358.15347	0.9
359.12375	37.7
360.13043	2.1
371.12372	22.9
372.13245	1.8
381.33987	0.9
388.16531	2.3
400.16660	1.6
416.15997	1.2
418.17755	6.0
435.16830	1.0
436.18665	2.9
446.17255	7.3
448.18665	3.1
464.18207	20.0
465.18512	1.7
466.19760	3.7
474.16718	4.3
478.19659	1.3
492.17654	100.0
493.17810	5.9
506.19385	7.1
510.18619	1.1
524.20288	66.5
525.20538	4.4
654.23218	4.0
705.37274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.97953	0.9
57.02159	0.8
61.02922	0.9
66.64116	0.8
67.05517	1.2
69.03430	3.0
69.67651	3.1
79.05499	1.8
80.05032	1.2
81.03423	1.2
81.05785	0.9
85.02909	5.0
91.05474	2.4
93.07043	5.9
94.06561	6.0
95.07359	7.0
96.08144	16.1
97.02904	2.4
103.05472	1.9
107.07356	1.0
108.08131	14.0
109.02891	0.9
109.08914	1.2
110.09682	30.7
118.06541	1.6
120.07298	1.8
120.08113	21.9
121.06538	1.0
121.85023	0.8
122.05959	1.0
122.09624	1.5
124.07625	1.7
136.07594	9.6
138.05536	1.5
138.09149	44.4
141.47600	0.8
146.06024	10.2
148.07556	7.5
150.09142	3.5
154.08617	1.2
166.08647	84.8
167.09039	1.6
172.03830	1.2
174.05533	1.3
204.06577	1.5
206.08167	4.0
209.10889	1.0
222.31557	1.0
223.08678	2.2
224.09550	1.0
225.10159	2.7
227.08229	2.5
237.10225	8.6
238.10852	1.3
239.08162	4.7
239.11755	4.1
241.09718	5.6
242.10484	1.0
251.08203	2.4
253.09683	9.8
254.10397	1.2
255.11308	3.9
265.09732	18.7
266.10379	2.2
267.07700	3.4
267.11292	7.3
268.12064	1.2
277.09723	1.3
281.09216	14.7
283.10809	14.0
285.12308	1.2
287.10214	3.0
293.09225	19.2
294.09824	1.3
295.10773	17.2
296.11307	1.1
299.10358	6.7
301.11899	4.2
309.08853	4.1
311.10257	13.5
313.11761	6.1
321.08725	8.9
325.11896	1.2
327.09796	18.1
339.09760	32.5
340.10403	1.0
341.11304	3.6
343.13324	1.5
353.11246	5.5
359.12384	37.4
371.12411	20.2
371.17126	1.5
372.13080	1.3
379.07471	1.0
388.16287	2.2
400.16409	1.5
418.17645	5.3
428.16071	1.9
436.18698	3.6
446.17166	7.0
448.18268	1.8
464.18259	16.6
466.19852	6.5
474.16336	2.8
492.17691	100.0
493.17719	4.9
494.42926	1.0
506.19220	7.0
510.18594	2.3
524.20313	84.6
525.20862	5.5
542.21222	2.5
654.22461	3.7
726.70026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27457	0.7
53.00307	1.1
53.03946	2.5
55.01875	7.6
55.05515	16.6
57.03438	12.3
57.07068	1.2
59.05012	3.9
61.02939	3.7
65.03960	1.1
67.05506	16.7
69.03439	3.0
69.07069	7.7
71.01349	1.6
71.04995	3.8
73.02918	2.1
79.05498	17.9
81.03420	15.2
81.07059	22.0
83.01344	5.6
83.04990	10.3
83.08619	16.4
85.02905	6.2
85.06565	1.7
87.04514	0.9
91.03974	1.9
91.05482	25.0
93.07046	25.1
95.04977	8.9
95.08617	9.9
97.02886	8.1
97.06529	6.2
97.10158	2.3
99.00822	10.9
99.04445	2.8
99.45590	0.7
102.43701	0.8
103.05481	1.0
105.04586	1.2
105.07036	16.6
107.04961	10.0
107.08592	13.0
109.02892	9.7
109.06512	6.8
109.10164	5.6
111.04458	4.2
111.08076	5.7
111.11726	1.3
115.03947	2.0
117.07024	7.7
119.08578	13.7
121.02827	0.8
121.06500	7.2
121.10142	7.2
123.04429	1.8
123.08086	6.6
123.11723	1.6
125.06023	1.9
125.09658	1.9
127.03923	3.1
127.11205	1.5
128.06273	0.8
129.07018	3.4
129.12781	1.5
131.08568	4.7
133.06509	1.4
133.10127	26.6
133.11139	1.4
135.08063	3.3
135.11713	10.2
136.11224	1.2
137.05984	2.0
137.09651	2.3
139.07545	4.4
142.12241	0.8
143.08583	4.0
145.06479	2.1
145.10124	12.3
147.08049	2.9
147.11716	1.4
149.02362	2.8
149.09662	1.3
151.11185	9.3
153.12753	3.0
155.08592	1.0
157.10118	1.1
161.09621	13.0
161.10832	1.1
163.11176	19.9
165.09135	1.1
167.03400	1.1
169.08578	0.7
171.08089	3.4
173.09669	2.4
175.11154	0.9
177.09030	1.0
179.10686	8.9
181.12248	1.8
189.09073	5.4
191.10715	1.9
193.12248	3.3
197.11768	2.4
207.10222	2.7
209.11800	4.8
211.13271	6.3
225.11195	8.8
227.12796	2.9
243.12311	1.9
265.14124	1.0
267.15829	4.0
281.13791	5.2
283.15411	100.0
284.15836	4.9
285.16925	7.6
299.14893	80.6
300.15198	3.5
318.16946	1.7
323.18378	1.1
383.22189	1.2
388.21539	0.9
445.20862	0.9
457.25861	2.2
475.26907	10.1
493.27927	12.5
494.28613	0.8
507.25916	81.8
508.26230	6.1
519.54645	0.9
704.36603	2.4
705.37122	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	704.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31009	1.2
53.03942	4.1
55.01879	7.3
55.05513	16.6
57.03439	9.2
57.07067	5.5
58.84459	1.2
60.05643	4.3
61.02931	2.0
62.41607	1.1
63.45016	1.2
65.03941	1.2
67.05507	26.5
69.03416	5.7
69.06709	2.2
69.07071	38.1
71.04984	3.5
71.08641	1.9
73.67748	1.1
79.05493	16.9
81.03414	24.3
81.07058	40.3
82.46699	1.1
83.04981	5.2
83.08619	16.0
85.02924	7.7
86.09761	1.2
91.05484	15.3
93.07050	23.7
95.04971	13.5
95.08614	21.9
97.02901	3.0
97.06524	5.3
97.10172	6.2
98.23589	2.2
99.04445	3.0
99.08091	1.5
105.07024	16.8
107.04943	5.3
107.08591	19.1
109.02882	22.3
109.06505	6.8
109.10165	27.6
111.04474	1.5
111.08105	5.3
111.11728	8.2
115.03912	7.5
117.07011	4.1
119.08585	16.7
121.06501	4.7
121.10152	15.2
123.04442	3.4
123.08083	4.8
123.11712	19.0
125.06018	2.3
125.09618	4.0
125.13277	3.7
127.03917	67.2
127.11162	1.8
129.06995	3.5
129.12767	1.5
131.08568	7.0
133.10135	9.9
135.08023	1.9
135.11687	13.0
136.11214	2.8
137.05959	1.2
137.09601	1.8
137.13269	4.3
139.11209	6.2
141.05475	6.4
145.04997	1.6
145.10120	5.2
147.08060	1.8
147.11658	11.4
149.02328	3.7
149.09613	4.2
149.13300	3.8
151.11183	3.6
153.12756	7.2
155.07079	1.6
157.10152	5.4
159.11707	4.0
161.13292	3.9
163.11156	3.4
163.14784	1.9
164.14424	1.6
165.12764	1.6
167.03305	2.0
167.07048	3.7
169.04950	2.6
169.08620	8.8
173.09698	2.0
173.13228	3.5
175.11198	4.7
175.14845	4.4
177.12715	2.2
178.11565	1.2
183.10175	3.0
189.11224	2.6
193.12276	12.1
195.10149	2.6
201.12646	2.5
203.14426	1.2
203.17937	1.5
205.12305	2.3
209.11740	2.1
211.13309	15.1
219.13882	2.8
219.20850	1.3
223.13280	15.3
227.12726	2.9
229.12251	1.7
229.14366	1.3
235.13344	2.1
237.14821	3.9
241.14420	1.3
247.13258	8.1
249.14894	6.5
251.16515	6.8
261.14899	4.5
265.14337	39.7
267.15878	8.8
277.14365	2.6
279.15851	9.0
283.15335	4.1
285.16992	12.3
297.16983	21.7
318.17062	5.2
332.14529	1.3
333.15332	1.9
357.32593	1.5
385.27374	7.3
403.28409	75.8
404.28772	2.7
421.29517	100.0
422.29752	3.7
439.26404	2.3
489.28430	10.7
493.27866	2.4
507.29672	22.0
601.25854	1.5
667.39038	1.5
704.34161	7.4
705.37213	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	704.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.1
55.01872	10.9
55.05513	27.0
55.92654	2.3
57.03438	27.0
57.07067	5.7
59.05021	3.3
60.05645	13.8
61.02932	6.5
62.89793	2.4
65.03949	4.3
66.67659	2.4
67.05159	4.3
67.05507	57.9
69.03431	11.3
69.07072	49.2
71.04990	6.8
71.08633	2.4
73.02918	3.6
79.05499	44.6
81.02945	1.6
81.03418	65.1
81.07061	69.4
83.04976	19.4
83.08620	29.0
84.80798	2.2
85.02918	23.1
85.06541	4.1
91.05482	42.7
93.07049	49.4
95.04974	40.6
95.08609	35.0
97.02892	8.8
97.06540	11.3
97.10181	13.8
99.04436	2.1
103.05511	3.9
105.07033	33.8
107.04945	20.4
107.08592	27.0
109.02872	20.8
109.06506	7.3
109.10161	30.0
111.04443	4.6
111.08080	11.9
111.11729	14.5
113.06017	3.4
115.03931	8.4
115.05412	2.5
117.07021	12.6
119.08582	28.5
120.82854	2.2
121.06501	6.6
121.10157	19.3
123.04439	2.8
123.08070	8.1
123.11716	17.7
125.05958	5.3
125.09611	12.1
127.03915	63.1
127.11225	3.3
129.06999	10.4
131.08575	17.6
133.10141	19.8
135.08095	6.1
135.11678	11.9
136.11223	5.1
137.09621	6.2
137.13228	5.3
139.11195	5.6
141.05452	5.7
143.08592	2.7
145.06491	3.2
145.10126	7.2
147.08046	3.6
147.11674	24.9
149.02351	6.9
149.09633	11.5
149.13266	6.2
151.07500	3.3
151.11226	5.8
153.12755	7.0
153.80423	2.1
155.07033	3.5
157.10077	12.7
159.11708	11.7
161.09622	3.4
161.13248	2.8
163.11177	5.7
165.12773	4.1
167.03403	2.6
167.07054	6.9
169.08598	9.8
169.09929	2.7
171.11659	3.4
173.09628	3.9
173.13277	4.0
175.11165	17.7
175.14873	3.2
177.12862	5.4
177.16440	2.5
187.11234	5.1
189.11223	8.1
191.10812	2.9
193.12250	33.3
201.12784	3.1
204.13950	2.5
205.12238	5.4
211.11238	3.1
211.13298	60.9
223.13284	50.0
227.12820	9.5
229.14369	7.4
237.14853	3.6
247.13310	8.9
249.14833	4.7
251.16425	7.7
265.14355	33.7
267.15903	26.3
279.15891	13.1
281.17520	3.6
283.15375	5.2
285.16959	45.5
292.97443	2.4
297.16959	66.1
318.16986	7.2
385.27338	11.8
403.28464	71.8
404.28687	2.4
421.29565	100.0
439.27008	10.2
471.27347	5.6
475.26944	7.0
489.28497	30.6
493.27945	5.1
507.29620	67.5
508.29895	3.6
601.26483	2.7
669.32074	2.4
704.36768	11.7
705.37286	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	704.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05038	0.7
57.07065	0.3
58.06313	0.1
58.06628	0.6
59.07389	0.2
60.08166	6.6
67.05509	0.4
69.07063	0.2
70.06586	0.2
71.05007	0.1
71.07375	3.0
71.08620	0.2
79.05472	0.1
81.03423	0.1
81.07063	0.5
81.42243	0.1
83.04980	0.1
83.08614	0.1
85.10192	0.1
86.09708	31.2
87.10037	0.2
91.05479	0.2
93.07037	0.2
95.04945	0.1
95.08590	0.2
98.98467	2.8
104.10751	2.4
105.07040	0.2
107.08609	0.2
109.10159	0.4
121.10191	0.1
123.11719	0.1
125.00005	19.3
133.10120	0.5
136.11191	0.1
143.01073	0.2
151.11186	0.3
154.35536	0.1
166.02661	0.2
184.07343	100.0
185.07675	1.0
253.14406	1.1
271.15289	0.4
311.25919	0.2
313.27573	0.1
496.33994	0.1
507.36841	0.3
614.83496	0.1
661.67023	0.1
704.45172	7.1
705.46942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05014	0.9
57.03420	0.3
57.07053	0.6
58.06574	0.4
59.61415	0.3
59.93764	0.3
60.08165	7.9
67.05477	0.7
68.64805	0.3
69.11538	1.9
71.07380	3.8
71.08627	0.7
78.76566	0.3
79.05489	0.4
81.03410	0.5
81.07034	1.0
86.09706	36.1
87.10029	0.4
91.05483	0.5
92.08108	0.3
95.04978	0.4
95.08588	0.6
98.98470	4.2
104.10214	0.3
104.10747	3.4
104.63017	0.3
107.08565	0.3
111.97228	0.4
119.08573	0.4
120.31753	0.3
121.10011	0.3
125.00005	23.7
135.11658	0.4
184.07339	100.0
185.07735	0.6
187.03316	0.3
212.20515	0.3
216.72139	0.3
238.50648	0.3
267.15897	0.4
268.16193	0.3
278.70551	0.3
313.27454	0.4
314.27744	0.6
318.16949	0.4
704.45190	18.7
705.45447	1.2
733.47595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1848
Annotation	Diinsinin
Peak:m/z	Relative Intensity
52.44604	0.2
54.67778	0.3
63.09586	0.2
69.21616	1.5
87.57635	0.2
89.57920	0.2
99.92036	0.2
123.74586	0.3
145.30035	0.3
150.63353	0.3
204.53496	0.2
232.66873	0.2
294.39044	0.3
307.84778	0.3
316.34674	0.3
363.06680	1.9
381.07971	1.5
525.12158	7.7
543.13208	7.9
553.11578	0.2
632.01306	0.3
705.18451	100.0
706.07794	0.4
706.18750	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	705.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54656	0.1
62.03392	0.1
69.17158	0.1
112.15009	0.1
122.16489	0.1
123.24656	0.2
128.98680	0.2
164.51480	0.1
181.83391	0.2
245.05148	0.3
265.32675	0.2
363.06873	1.9
363.10876	0.2
366.09570	0.2
381.07867	1.4
525.12183	7.1
526.12769	0.2
543.13257	8.6
544.13062	0.3
683.37445	0.2
705.18439	100.0
706.18787	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	705.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.9
66.03415	0.4
67.04219	0.3
69.04534	0.5
70.02960	2.0
70.06579	1.0
70.57710	0.5
79.60896	0.4
81.04523	3.4
82.05316	2.9
83.06094	13.6
84.08137	1.0
85.04002	1.0
86.09700	13.4
86.10223	0.7
87.05576	0.7
91.05465	2.9
93.04523	11.1
95.06091	0.8
103.05447	0.6
108.05588	0.7
109.03988	1.2
109.06397	0.8
110.07154	100.0
111.07485	1.3
113.03477	1.4
118.06537	8.6
119.04951	0.4
119.95302	0.4
120.05595	2.2
120.08089	1.7
125.03489	0.8
132.04437	0.8
134.06018	0.5
134.07108	0.7
136.05089	0.8
136.07585	3.2
137.05942	1.2
137.08220	1.1
138.06580	1.2
138.09137	0.8
141.10239	0.8
146.05992	10.9
148.05006	0.5
155.09273	1.7
155.11797	1.0
158.05968	1.6
161.08168	0.5
162.06647	0.8
164.04575	0.7
165.07718	3.9
176.07045	0.5
177.05544	0.6
177.07668	0.7
178.05026	1.3
179.09244	0.6
180.11499	0.5
181.09709	1.0
186.05521	0.4
189.07727	1.0
189.83675	0.3
192.11429	0.4
201.06689	0.6
202.04968	0.5
203.08249	0.5
204.06606	0.6
204.13763	0.8
205.07220	4.3
206.10321	0.4
207.08775	1.2
210.10487	0.3
210.14932	0.5
214.12306	1.2
220.10797	0.7
222.09615	0.4
226.11827	0.4
230.04512	0.8
232.08420	0.5
233.06660	5.6
233.08849	0.4
234.09393	0.3
247.07152	0.7
249.15974	0.8
250.09322	5.8
259.14343	0.5
266.74020	0.4
268.10132	0.4
272.15045	0.4
273.05164	0.4
273.13501	0.9
277.15552	0.8
289.15399	0.7
295.06134	0.4
300.14584	4.4
315.13147	0.4
328.13858	2.0
338.19547	3.8
339.11078	0.4
343.12903	0.5
345.16708	1.6
363.17715	1.9
368.20590	1.1
368.24548	1.2
377.18198	3.7
391.10104	0.6
403.16220	0.8
405.17639	5.3
418.20724	0.6
420.19534	0.5
427.16000	0.4
429.15182	1.6
462.19434	1.9
480.80939	0.4
522.23163	0.5
523.23572	0.4
540.24158	0.5
550.22955	4.0
568.23871	5.7
569.24768	0.5
581.24695	0.4
582.23425	0.4
592.21967	0.4
599.25415	1.9
669.27643	0.7
670.26538	0.4
677.30249	0.8
687.28723	10.5
688.28381	1.0
705.19482	0.8
705.29749	21.9
706.29773	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	705.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81934	0.4
55.01830	0.9
55.04211	0.5
55.05488	0.8
67.05495	2.4
69.03379	2.8
69.76815	1.6
70.06599	4.9
71.04990	7.5
78.78561	0.4
79.05518	2.3
79.05862	0.7
80.04963	1.6
81.07060	5.8
82.06579	7.2
83.04942	1.2
83.07359	12.7
84.08141	5.4
86.06001	0.4
88.07571	0.5
91.05434	1.2
93.07000	1.4
94.06525	0.8
95.04951	0.7
95.08592	5.4
96.08080	1.7
97.02843	1.8
97.06502	0.5
98.06003	1.4
105.06969	1.4
106.06492	1.2
107.08562	1.1
108.08114	0.7
109.06473	2.0
109.10052	0.4
110.09603	0.4
111.04459	2.7
111.08033	1.1
117.07009	0.5
119.08525	1.4
120.08118	2.3
121.06458	0.6
121.10137	0.6
122.09650	9.0
123.04447	3.4
123.07996	1.2
124.07547	1.0
124.11173	0.5
125.05965	0.5
131.08517	1.7
133.10149	0.5
134.09581	1.6
135.07985	0.6
136.11217	2.3
137.05981	8.3
140.10690	0.5
145.10077	0.6
147.08003	0.6
148.07503	0.8
150.09167	2.8
151.07532	3.6
152.10638	1.8
154.12198	0.8
164.14299	1.5
168.10161	2.3
172.11131	1.5
173.09558	0.5
174.12827	0.6
176.10652	0.6
180.10199	24.3
180.11797	1.2
182.11775	8.2
183.11658	0.5
189.09052	0.7
190.12187	0.9
191.09523	0.5
192.13805	0.6
200.10631	0.7
218.11754	14.6
219.12399	1.9
220.13307	3.7
222.14883	0.5
236.16371	1.4
258.75403	0.4
262.18021	1.6
276.15787	0.5
280.38086	0.5
292.19101	4.5
316.15433	54.0
316.46332	0.4
317.15732	1.5
318.16931	0.7
320.18677	0.7
344.77182	0.5
362.23291	5.0
372.21628	4.1
388.21216	2.0
390.22739	100.0
391.23080	3.9
455.78983	0.5
494.61777	0.5
515.31592	0.5
607.33807	10.2
608.33929	0.6
705.37390	48.5
706.38287	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	705.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
56.05035	6.6
57.06819	0.3
57.07075	3.8
58.06594	3.8
60.04525	1.1
61.07151	0.2
64.20547	0.2
66.24782	0.2
66.58791	0.2
68.05023	0.3
69.07060	0.3
70.06589	0.3
71.08628	2.2
71.46663	0.2
74.06076	6.3
83.08638	0.3
84.08133	0.4
85.10173	0.6
85.43637	0.2
86.06073	1.0
88.07627	18.8
104.07091	0.4
118.08656	3.6
121.06484	0.2
122.08138	4.8
135.33836	0.2
137.05966	0.2
169.15834	0.2
182.11647	0.3
228.23141	0.4
242.24767	26.4
243.25111	1.3
254.25069	0.2
259.10132	0.2
272.25900	1.4
290.26871	100.0
291.27191	4.6
319.20740	0.2
320.18451	0.3
390.22714	0.3
416.20718	0.5
536.88794	0.2
705.37286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46470	0.6
55.05507	1.3
57.03434	0.6
57.07061	0.7
58.88443	0.7
67.05510	4.5
69.07085	1.1
69.79670	1.2
69.80022	1.3
70.18034	0.5
71.08636	0.8
79.05505	1.4
81.07063	3.4
83.08643	0.9
83.66801	0.6
84.08189	1.0
86.09725	0.7
87.04491	2.1
91.05509	2.6
93.07055	2.1
95.08639	1.9
96.69426	0.6
105.03450	0.7
105.07082	1.4
107.08616	1.6
109.10201	1.0
111.08119	0.8
115.91718	0.6
121.06557	1.5
123.04408	0.6
135.08058	1.5
159.11664	0.6
164.14439	0.9
177.05460	0.6
182.11873	1.6
184.07300	1.5
190.04993	0.6
233.14629	0.7
334.16580	1.7
353.22919	6.7
356.84894	0.7
375.25360	1.0
409.25702	3.1
434.21793	1.0
435.22293	2.1
450.21265	1.1
557.20135	0.8
571.01764	0.7
618.12201	0.7
674.46771	0.8
705.49133	100.0
706.49567	8.5
727.68060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
57.03427	0.2
61.02927	0.1
62.37883	0.1
67.87484	0.1
69.03423	0.5
69.56413	0.1
69.56771	0.4
70.06570	0.2
73.02908	0.3
74.64365	0.1
75.02364	0.1
77.94386	0.1
81.03409	0.9
85.02888	0.7
91.05459	0.3
97.02884	1.1
97.23163	0.1
99.04451	0.2
103.03934	0.3
109.02882	0.5
117.05774	0.2
118.06538	1.4
123.26705	0.1
127.03905	0.7
128.04945	0.2
129.04524	0.1
129.10135	0.1
129.11049	0.1
130.06566	0.2
137.06000	0.2
145.02853	0.2
145.05098	0.1
146.06000	100.0
147.06348	2.1
148.07573	0.2
156.05536	0.1
158.06064	0.2
160.07564	4.5
170.05983	1.0
172.07658	0.1
174.05492	0.5
176.07037	0.3
177.05453	0.3
183.06795	0.1
184.07565	0.4
186.05466	0.5
188.07065	7.7
189.07449	0.2
192.06546	17.5
193.06892	0.4
198.09190	0.2
200.07057	0.5
202.08627	0.3
204.06560	0.3
208.07512	0.2
212.07022	0.7
216.06609	0.5
224.07076	0.2
226.08620	0.4
228.06639	0.1
230.08063	0.5
234.07594	2.6
236.07002	0.2
242.08157	0.3
244.06070	0.2
244.09782	0.2
254.08128	0.9
258.07550	0.5
272.09186	0.8
276.08701	0.6
282.07578	1.0
290.10220	1.6
294.09732	0.6
300.08652	1.7
308.11264	2.0
318.09689	3.7
319.10254	0.1
336.10754	13.5
337.11148	0.5
360.10654	0.2
402.11719	0.3
410.10733	0.1
426.11868	0.1
444.13049	0.1
473.13300	0.1
491.14227	0.6
498.16397	0.2
509.15698	0.4
527.16571	2.2
528.16833	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.5
53.85709	0.4
55.01848	1.0
60.23880	0.4
65.03934	0.8
69.15250	0.7
69.15660	1.8
79.05502	1.3
81.03394	0.5
85.02888	1.3
86.09710	1.4
91.05479	1.6
93.07051	0.6
95.04960	1.5
97.02877	0.4
99.36321	0.4
100.11238	0.5
102.04671	0.5
103.05470	43.6
105.04507	0.7
105.07030	12.8
108.02105	0.5
115.05459	2.4
119.04955	1.5
121.06484	0.6
123.63102	0.4
128.06128	0.5
131.04930	100.0
132.05312	1.8
133.02863	0.9
133.06493	12.0
134.06790	0.5
137.05981	8.5
143.06071	1.2
147.04401	1.4
149.05994	0.8
151.03908	36.6
151.04980	2.1
152.04245	0.6
159.08012	0.9
161.05978	42.8
162.06445	1.2
163.07544	48.1
164.07840	1.2
172.05208	0.8
175.07552	2.4
179.07062	1.4
182.15631	0.4
187.07576	2.9
190.07951	0.4
191.08669	0.6
210.14883	0.6
217.08615	1.1
219.08066	0.7
249.58031	0.4
251.10678	1.1
279.10135	1.2
291.10114	1.3
311.12759	4.7
319.31308	0.5
323.12814	1.0
329.10175	2.0
341.13901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	3.1
53.03945	2.7
55.01870	4.3
55.05256	1.0
55.05514	18.9
56.10979	0.5
57.03179	0.9
57.03441	11.9
59.04998	3.2
61.02934	4.0
65.03946	1.5
67.05157	1.2
67.05509	19.2
69.03441	5.7
69.07076	5.0
71.01337	1.5
71.04983	2.0
73.02913	1.9
79.05496	17.5
81.03418	45.4
81.07058	25.6
83.04984	11.4
83.08620	23.3
85.02902	17.5
85.06567	1.7
87.04502	0.6
91.03968	1.7
91.05481	32.0
93.07044	20.0
95.04974	18.5
95.08605	9.1
96.51762	0.6
97.02891	6.1
97.06521	4.4
97.10171	2.8
99.00816	13.2
99.08122	1.4
101.02388	1.0
103.05497	1.0
105.07032	22.3
107.04951	8.6
107.08584	9.1
109.02874	7.5
109.06535	5.2
109.10140	4.7
111.04484	3.2
111.08085	10.3
113.06028	2.6
115.03918	1.4
115.05479	1.4
117.07005	3.3
119.04932	1.1
119.08582	19.7
121.06518	7.8
121.10142	6.3
123.04445	2.4
123.08080	1.7
123.11681	3.1
125.05985	1.0
125.09628	1.2
127.03903	2.6
128.06230	1.1
129.07004	6.4
131.08575	7.9
133.06483	3.4
133.10130	33.8
133.57007	0.7
134.10457	0.7
135.08083	1.4
135.11700	1.8
137.06004	1.6
137.09657	1.9
139.07567	1.7
142.07776	1.0
142.84688	0.6
143.08568	3.8
145.06525	1.3
145.10143	2.7
147.08028	3.2
147.11679	9.0
149.09612	5.2
151.11189	9.0
157.10141	8.2
161.09621	13.2
163.11166	2.3
165.09219	0.9
165.12799	1.4
171.08047	3.8
175.11203	9.2
179.10680	7.4
189.09146	8.1
193.12234	27.0
194.12680	0.9
197.11746	2.1
207.10114	3.0
211.13292	38.5
212.13651	0.9
225.11171	8.6
225.13133	0.7
227.12808	0.7
243.12321	2.2
267.15921	16.9
267.18689	1.1
268.16434	0.7
276.07889	0.7
281.13885	3.7
283.15411	2.1
285.16965	38.2
286.17484	1.0
299.14896	64.1
300.15277	1.0
445.26068	1.3
463.26804	1.1
473.25443	1.9
491.26324	16.3
495.30173	0.8
509.27469	100.0
510.27737	6.0
661.33429	0.8
726.99084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
51.03125	0.8
53.03946	2.2
53.06596	0.8
53.23079	0.8
55.01880	5.9
55.05512	12.9
57.03439	13.8
59.04988	0.9
61.02927	3.5
63.07788	0.7
65.03931	1.8
67.05508	28.9
67.29883	0.9
69.03441	6.8
69.07064	10.6
71.01339	1.2
71.05005	5.9
71.05616	1.0
73.02918	0.9
78.48756	0.8
78.65864	0.8
79.05498	23.4
81.03419	43.0
81.03902	2.1
81.07059	31.1
83.04979	14.8
83.08623	16.4
84.08147	1.0
85.02907	17.2
85.06546	4.2
91.03954	2.1
91.05484	37.6
93.07051	20.7
95.04967	20.7
95.08599	9.3
97.02905	5.0
97.06543	6.3
97.10179	3.7
99.04459	3.9
99.08102	1.2
105.04581	1.2
105.07033	32.2
106.82883	1.0
107.04973	5.6
107.08598	22.1
109.02879	1.2
109.06534	6.3
109.10159	32.9
109.10893	1.9
110.10511	1.1
111.04455	2.8
111.08080	8.0
113.05997	3.4
115.05478	1.4
117.07026	4.3
119.08595	15.0
121.06512	6.5
121.10158	9.1
123.04465	1.0
123.08118	4.4
123.11716	6.3
125.06011	1.5
125.09666	2.8
127.03955	2.8
127.07574	3.3
129.06973	7.8
131.08574	10.5
133.06517	6.4
133.10132	47.8
135.08073	3.0
135.11687	3.4
136.11208	1.5
137.05933	2.0
137.09627	2.6
142.07735	1.2
143.07112	1.3
143.08582	2.5
145.06461	1.1
145.10132	10.3
147.08060	2.5
147.11688	10.1
149.02313	2.2
149.09621	4.4
151.11176	20.8
157.10130	8.9
158.07277	1.8
159.08054	1.2
159.11679	3.7
161.09662	4.8
163.11180	2.8
164.14342	1.2
165.09203	1.0
165.12788	2.3
169.10078	1.9
169.12256	3.8
172.08772	1.4
173.09619	10.1
173.13249	2.7
175.11194	11.9
179.10645	2.3
181.44083	1.0
187.11252	5.6
189.09222	0.9
191.14270	2.5
193.12253	27.0
197.09619	1.0
201.16350	1.2
205.08615	4.0
205.12270	3.8
207.10101	1.6
209.15341	1.8
211.13293	45.7
215.10681	9.4
215.12813	3.2
233.11725	8.2
243.12305	3.9
253.14433	1.8
267.15936	18.5
281.13843	3.8
283.15555	2.1
285.16962	38.3
299.14896	62.0
300.15274	2.6
318.17062	1.1
319.17471	1.7
380.94449	1.0
388.21078	6.1
388.71106	1.6
459.27377	3.1
472.23495	1.2
473.25534	2.6
477.28513	3.3
491.26221	17.5
499.17493	1.0
509.27466	100.0
510.27637	7.0
515.25079	2.7
586.17920	0.9
706.37463	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	706.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01879	2.4
55.05513	9.1
57.03440	7.6
57.07079	0.6
59.05005	1.0
61.02921	0.8
64.09610	0.5
65.03941	1.1
67.05505	19.7
69.03421	2.0
69.07066	4.4
69.85094	0.5
71.04980	1.8
77.03925	0.5
79.05493	22.2
81.03419	40.6
81.07056	17.9
83.01357	0.5
83.04975	10.5
83.08117	0.8
83.08620	11.1
85.02907	2.3
85.06549	0.9
91.05481	32.0
93.07044	17.2
94.07330	0.6
95.04971	17.2
95.08614	6.6
97.02896	2.2
97.06531	2.1
97.10182	2.4
98.22630	1.0
99.08090	1.3
105.04500	1.0
105.06351	1.1
105.07034	17.7
107.04951	9.9
107.08584	5.2
109.06516	3.8
109.10147	4.8
111.04446	1.1
111.08090	4.2
113.05940	0.7
115.05448	1.6
116.06293	0.6
117.07019	2.5
119.08583	13.3
121.06505	2.0
121.10155	4.3
122.75166	0.6
123.08080	1.9
123.11707	0.8
123.90625	0.5
125.09627	1.0
127.07589	0.8
129.06999	7.4
130.99655	0.5
131.08571	10.6
133.06488	2.1
133.10132	14.8
135.08073	0.8
135.11656	2.4
137.09619	1.3
142.07803	2.5
145.06488	0.6
145.10117	3.9
147.08051	2.6
147.11690	9.0
149.09637	3.3
150.64806	0.6
153.12845	0.6
155.08514	0.9
157.10132	11.3
163.11201	5.7
165.12788	1.2
173.09636	1.0
173.11775	0.9
175.11182	8.0
193.12231	14.7
209.11766	1.7
211.13182	1.2
227.12781	1.1
229.14417	1.9
249.14931	1.7
267.15906	66.6
268.16269	2.8
283.15384	10.6
284.15680	0.6
309.16928	0.6
367.22861	1.1
384.94461	0.5
385.23624	1.0
407.24182	0.8
433.25760	2.1
437.25583	1.2
441.26483	1.2
459.27405	100.0
460.27762	6.5
477.28488	5.0
478.28436	0.9
491.26041	4.1
501.28638	2.1
509.27274	3.6
510.27423	0.6
527.28046	2.8
567.28986	1.1
656.24231	0.6
706.37183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05511	14.4
57.03440	13.7
61.02933	0.9
66.38589	0.9
67.05158	1.6
67.05505	21.1
69.03422	4.4
69.07069	5.2
69.63365	3.8
71.04984	3.2
73.02916	1.0
78.29668	0.7
79.05498	21.6
81.03419	80.9
81.07059	18.9
83.04990	5.6
83.08619	19.8
85.02902	2.5
85.06567	1.1
86.09723	0.9
91.03915	1.1
91.05478	18.2
93.07049	14.1
95.01337	0.9
95.04967	30.2
95.08610	8.0
97.02893	2.4
97.06519	3.4
97.09587	1.5
97.10161	14.9
98.22719	1.0
99.08130	1.1
105.04533	1.0
105.07029	16.2
107.04959	11.0
107.08027	1.0
107.08607	10.8
109.02798	0.9
109.06524	8.5
109.10146	4.7
111.04451	1.3
111.08101	7.0
113.05991	0.9
115.05435	1.7
117.07015	4.3
119.04965	1.5
119.08578	15.9
120.79090	0.7
121.06516	9.5
121.10130	8.0
123.04400	2.4
123.08059	3.4
123.11688	1.4
124.99992	1.6
125.09631	10.9
129.07007	10.8
131.04901	1.9
131.08560	11.7
133.06488	3.3
133.10144	5.8
135.08081	4.3
135.11685	2.3
136.11191	1.8
137.09631	1.4
139.07620	0.9
141.07011	1.6
142.07777	3.3
143.08556	1.9
145.06485	5.7
145.10123	4.7
147.04405	1.6
147.08031	3.9
147.11682	8.9
149.09604	7.0
150.54474	0.9
153.09103	2.8
155.08527	2.3
157.06531	1.1
157.10136	9.8
159.07994	1.4
159.11726	1.6
159.30876	0.8
161.05984	2.4
161.09604	2.0
163.11162	3.9
165.12730	2.1
169.10089	1.6
171.08037	1.4
171.11655	2.2
173.09679	1.2
175.07600	1.2
175.11180	9.1
177.12637	1.2
181.10092	1.4
184.07355	4.7
185.13269	1.7
187.11208	1.5
189.11186	4.9
189.12775	1.8
191.10703	1.2
191.14322	1.3
193.12233	23.6
195.11685	1.4
199.11195	2.0
201.12796	0.8
205.12233	2.0
207.13712	0.8
211.13206	2.7
215.14438	1.3
217.12265	1.7
219.13812	2.4
223.13399	1.7
225.12544	0.9
227.12743	2.6
231.13872	1.2
233.15366	3.4
235.13339	2.7
237.12804	1.3
241.14243	1.0
245.15414	1.4
249.14862	1.7
255.13814	1.4
259.13339	1.1
267.15909	83.9
268.16141	3.2
271.16830	1.1
273.14713	4.8
293.17514	1.9
309.16946	1.3
318.17029	2.3
339.23166	2.2
349.21503	2.8
357.24112	1.0
367.22684	13.6
385.23770	21.1
386.24283	1.5
403.24796	7.5
441.26340	6.7
459.27414	100.0
460.27670	7.8
477.28488	64.0
477.34213	1.0
478.28653	4.9
491.30051	7.5
501.28461	5.9
509.30905	3.2
531.84406	0.9
543.29547	1.4
544.36566	1.4
555.29413	1.4
567.29413	4.8
585.30469	1.0
642.12146	0.9
706.36780	3.5
707.37927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.1
56.05034	0.9
57.07056	0.3
58.06620	0.5
59.07374	0.1
60.08163	7.4
67.05490	0.3
69.07048	0.1
69.72675	0.3
70.06593	0.1
71.07372	4.3
71.08622	0.1
79.05474	0.2
81.03410	0.3
81.07061	0.4
83.04931	0.1
84.08115	0.1
86.09705	36.3
87.04461	0.6
87.10015	0.4
91.05472	0.2
91.40376	0.1
93.07030	0.3
95.04951	0.2
95.08601	0.3
97.06513	0.1
98.22666	0.1
98.98463	3.8
103.36488	0.1
104.10742	2.6
105.07034	0.2
105.11090	0.1
107.08653	0.1
109.10177	0.1
112.14677	0.1
119.08618	0.1
121.10139	0.1
124.99999	24.8
126.00332	0.2
130.30809	0.1
131.08524	0.2
133.10042	0.1
135.11676	0.1
136.11177	0.1
143.01048	0.2
162.10780	0.1
163.01538	0.1
166.02681	0.2
184.07335	100.0
185.07689	1.2
189.61247	0.1
318.17029	0.1
319.17471	0.1
335.25854	0.1
465.35825	0.1
496.34100	0.2
544.35522	0.1
688.47931	0.1
706.46777	7.8
707.47852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22012	1.4
52.79813	1.7
55.01877	5.1
55.05503	2.7
58.50430	1.5
67.05487	2.7
69.03429	3.8
69.07066	4.3
71.04993	2.9
71.34701	1.5
79.05489	11.0
81.03397	4.3
83.04978	3.4
84.08150	1.7
91.05470	6.8
93.07036	7.2
95.04958	4.9
95.08582	2.3
97.06521	8.1
99.04471	3.7
105.06343	3.1
105.07022	40.8
105.57354	1.6
107.04947	7.5
107.08556	2.3
109.06527	3.1
117.07018	5.3
119.04947	2.6
119.08563	3.0
120.31647	1.6
121.06507	28.5
125.05986	6.0
128.06238	1.9
129.06987	3.6
130.07794	3.8
131.08542	11.3
133.06491	27.3
136.32582	1.8
137.05940	2.5
141.06969	2.7
143.07031	8.1
143.08559	4.6
145.06491	11.5
145.10120	50.9
146.04886	3.1
146.06010	39.3
154.07774	3.8
155.08514	6.6
158.07271	18.1
159.08037	13.2
159.11656	15.4
161.09680	2.6
167.08481	2.2
169.10098	6.4
171.08109	2.1
172.08801	5.1
173.09613	100.0
177.05434	4.5
179.08572	2.4
182.07214	3.2
187.11169	41.9
192.06554	13.4
197.09561	13.3
205.12231	18.4
215.10666	85.8
216.11102	2.2
233.11717	89.1
234.07596	3.2
234.12032	3.5
251.12653	2.5
282.07565	2.2
319.11829	2.1
337.12772	21.8
355.13867	21.5
395.44476	1.8
481.16693	2.4
499.17993	6.3
644.23096	1.8
706.84998	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3767
Annotation	Tetrastachynine
Peak:m/z	Relative Intensity
56.05030	0.8
57.07066	0.5
60.08165	2.0
67.05510	1.0
69.56152	1.9
71.07372	1.9
81.03430	0.5
81.07076	1.3
86.09704	13.1
87.04477	1.6
87.10043	1.6
91.05487	0.9
93.07021	0.9
98.22689	1.1
98.98482	1.3
104.10743	1.0
107.08596	0.8
125.00008	10.3
129.07068	0.5
132.10297	0.5
148.68816	0.5
163.11053	0.6
184.07350	36.9
185.07693	5.9
192.17419	0.5
216.49725	0.5
227.66158	0.5
320.18411	0.9
440.92233	0.6
492.49973	0.6
535.26929	0.7
579.97467	0.5
707.37549	100.0
708.37811	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96770	0.4
60.08155	2.3
65.96797	0.4
67.05521	1.1
69.21031	0.4
69.53120	0.8
69.53498	1.8
70.21035	0.6
71.07368	1.1
81.07076	0.8
86.09708	10.7
87.04480	1.6
87.10065	1.4
91.05489	0.9
95.08610	0.7
98.23384	1.0
98.98479	1.8
103.88975	0.5
104.10725	1.3
105.07026	0.8
107.93959	0.4
125.00013	6.7
134.59941	0.4
139.78131	0.5
179.41287	0.5
184.07346	33.1
185.07683	4.7
248.70865	0.5
320.18497	0.7
355.96912	0.6
422.64926	0.5
584.10016	0.5
707.37500	100.0
708.37933	11.6
708.49817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21575	0.2
52.68814	0.2
67.05483	0.5
69.03441	1.3
69.18174	1.1
69.18581	0.5
70.06585	2.4
71.05007	1.0
72.08160	0.3
79.05490	0.6
80.05022	0.4
81.07055	1.9
82.06588	0.3
83.04975	0.2
84.08149	1.1
91.05457	0.3
93.07055	0.6
94.06568	0.4
95.08607	0.5
96.08112	1.0
97.02906	0.6
98.22704	0.4
99.04465	0.5
101.28382	0.2
105.07042	0.5
106.05297	0.2
107.07378	0.3
107.08597	1.0
109.06506	0.6
110.09693	0.4
111.08074	0.6
119.08577	0.3
122.09676	1.4
123.08040	0.5
124.08856	0.5
124.11250	0.5
125.06028	0.4
125.52052	0.2
125.53023	0.2
128.07127	0.3
134.09648	0.4
135.08076	0.7
135.10397	0.3
136.11250	1.7
137.05978	5.5
145.10085	0.4
148.11208	0.3
150.09149	1.5
151.03906	0.3
152.10756	0.3
154.12317	0.2
159.34567	0.2
162.12732	0.4
164.14316	0.3
166.15907	1.2
168.10216	1.9
176.14294	0.3
180.13997	0.2
180.21661	0.2
182.11758	2.5
183.06540	0.4
184.13367	0.4
194.15421	0.9
195.13864	0.2
207.44243	0.2
220.13330	0.9
221.05766	0.3
221.11671	1.7
234.14862	0.3
236.16444	3.5
242.15407	0.3
249.05458	0.8
264.19641	1.8
278.17648	0.3
292.19019	2.7
295.06046	0.7
316.19086	1.7
318.13522	0.2
318.16998	5.4
319.17493	0.3
323.05499	1.9
362.23264	0.3
390.22745	100.0
391.23120	5.5
707.24426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.01201	0.1
67.05509	0.3
68.05013	0.2
69.03429	1.7
70.06590	2.3
71.04991	1.1
79.05510	0.7
79.05873	0.1
80.05001	0.5
81.07056	2.1
82.06572	0.2
84.08134	0.7
91.05473	0.4
93.07048	0.8
94.06551	0.6
95.04959	0.3
95.08601	0.6
96.05775	0.2
96.08141	0.7
97.02892	0.6
97.06541	0.3
97.08906	0.2
98.06079	0.2
98.22670	0.2
99.04443	0.3
100.07617	0.2
101.01757	0.1
105.07022	0.5
107.07337	0.2
107.08585	1.1
108.08111	0.3
109.06473	0.7
109.08835	0.1
109.10114	0.1
110.09679	0.5
111.04480	0.2
111.08077	0.5
112.07564	0.2
117.07065	0.2
118.06407	0.1
119.08541	0.3
120.08101	0.2
121.06446	0.1
121.10101	0.2
122.09677	1.4
123.04406	0.1
123.08037	0.4
124.07533	0.2
124.08844	0.7
124.11214	0.3
125.05996	0.5
128.07066	0.3
131.08560	0.3
133.10097	0.3
134.09669	0.4
135.08041	0.4
135.10397	0.3
136.11200	1.8
137.05968	5.9
137.09630	0.1
138.09119	0.1
142.08624	0.2
145.10115	0.4
147.08025	0.2
148.11192	0.3
149.09605	0.1
149.13191	0.2
150.09123	1.6
150.12770	0.1
152.10692	0.4
154.12263	0.4
155.06966	0.1
157.10059	0.2
159.11652	0.2
162.12790	0.7
164.14304	0.6
166.15918	1.4
168.10187	1.8
173.09578	0.2
176.14439	0.2
182.11771	2.5
183.06583	0.4
184.13341	0.6
190.15907	0.3
192.13757	0.2
192.17490	0.1
194.15417	0.7
194.55565	0.1
196.13399	0.2
198.11163	0.2
218.15453	0.2
219.10080	0.1
221.11679	1.3
234.14848	0.2
236.16434	4.5
242.15353	0.3
262.18002	0.1
264.19559	1.8
265.19839	0.1
274.17892	0.2
278.17566	0.4
290.17380	0.3
292.19037	2.8
293.19394	0.2
316.19135	1.6
318.16986	3.0
319.17297	0.2
323.05341	0.2
362.23380	0.3
372.21786	0.2
388.21005	0.2
389.21503	0.2
390.22720	100.0
391.23041	5.4
507.07797	0.2
597.54248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64839	0.4
55.05512	0.7
56.05020	0.5
67.05483	0.5
69.03431	1.1
69.50228	1.7
70.06600	3.4
71.05008	0.6
79.05489	0.7
79.66552	0.4
81.07035	1.4
82.06546	1.0
83.07349	0.5
84.08144	11.4
88.86501	0.4
91.05478	0.6
93.07034	0.8
94.06506	0.6
95.08601	0.6
96.08113	1.2
96.30027	0.5
97.08878	1.0
99.04446	0.4
105.07008	0.7
108.08147	0.9
109.06498	0.8
110.09672	1.0
119.08555	0.8
122.09650	3.7
134.09666	1.2
135.94374	0.5
136.11230	2.5
137.05966	1.3
137.11992	0.9
138.12762	3.4
145.10123	0.7
147.08043	0.5
150.09152	1.7
150.83253	0.4
152.10730	2.3
157.10136	0.5
162.12802	0.8
168.10220	1.1
175.11182	1.2
175.91879	0.5
180.10269	0.5
180.77681	0.5
182.11792	4.7
184.13393	0.8
185.09552	0.5
192.13646	0.7
217.08661	1.4
219.10059	0.8
222.14896	8.0
232.13365	0.5
234.15013	0.6
236.16428	1.0
244.16919	1.0
276.19604	0.9
288.15814	0.9
314.17468	5.8
320.18567	100.0
321.18976	4.4
326.94449	0.4
360.21799	0.9
370.20270	0.7
388.21179	82.0
389.21588	5.4
401.85260	0.5
504.78348	0.5
527.93127	0.5
707.24707	1.4
737.03662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
54.26161	0.3
55.01876	0.6
55.05515	1.9
57.03438	2.2
57.07073	0.4
59.05028	0.4
61.02932	5.3
67.05510	7.5
69.03432	2.4
69.07071	1.0
69.52825	1.0
71.01378	0.4
71.05009	0.7
73.02921	2.7
79.05495	4.2
79.48921	0.3
81.03432	1.7
81.07059	3.8
83.04989	0.7
83.08635	1.3
85.02914	4.9
85.06596	0.4
91.03964	3.3
91.04516	0.4
91.05486	2.8
93.07048	4.1
95.05000	1.2
95.08627	2.3
97.02905	3.8
97.06552	0.5
97.10178	0.7
99.04456	0.5
101.02409	1.4
105.07053	2.3
107.04961	0.6
107.08589	1.9
109.06538	0.5
109.10162	6.1
111.08124	0.5
117.07034	1.1
118.61522	0.3
119.08583	2.8
121.06515	0.3
121.10172	1.2
125.09619	0.4
127.03931	1.5
129.07034	0.5
131.08604	1.4
133.10153	1.9
135.11722	0.6
143.08630	0.5
145.10170	0.9
147.11705	1.5
149.13326	0.4
155.10626	0.3
157.10133	0.4
159.11707	0.6
161.09804	0.4
161.13289	0.9
169.25150	0.3
171.11700	0.4
173.11850	1.7
173.13206	0.4
181.04695	0.4
185.04305	0.8
195.09964	0.8
203.05334	0.3
222.15161	0.4
227.12918	0.4
229.14391	1.0
243.08348	2.4
259.20609	0.5
301.09079	1.4
315.10699	0.7
317.21075	1.0
320.18607	0.8
373.11142	0.6
385.18439	0.5
393.89185	0.3
413.17847	8.0
421.25818	0.4
429.17422	0.6
432.17517	0.3
435.32813	0.4
465.20892	0.4
485.20120	1.3
527.37360	1.1
535.28876	5.9
545.38361	3.7
609.32751	0.5
637.32782	0.4
707.39795	100.0
708.27808	0.4
708.40094	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	708.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	5.1
55.05512	10.3
57.03183	0.7
57.03439	8.6
57.03701	1.0
57.07077	0.8
59.04998	1.8
61.02922	1.4
65.03960	0.8
67.05502	14.6
69.03421	2.0
69.07065	4.3
69.23195	2.0
69.23598	1.1
71.01363	0.7
71.04984	2.1
75.67703	0.5
79.05493	16.4
81.03417	41.5
81.07053	15.3
82.24730	0.5
83.01340	3.1
83.04983	7.2
83.08617	12.7
85.02907	4.3
85.06536	1.1
91.03990	0.7
91.05478	14.1
93.07043	16.0
95.04966	15.2
95.08605	8.8
97.02882	3.0
97.06519	3.1
97.10159	4.6
99.04408	0.8
105.04549	0.6
105.07028	11.6
107.04954	8.1
107.08598	9.2
109.02903	0.6
109.06519	5.5
109.10135	3.5
111.04442	2.3
111.08073	3.1
113.05952	0.7
115.05470	1.0
117.07030	5.0
119.08564	10.4
121.06506	4.0
121.10139	7.5
123.04498	1.2
123.08065	4.5
123.11704	0.9
125.05982	0.9
125.09635	4.1
127.07564	0.7
127.28491	0.6
128.06219	1.1
129.07010	5.5
130.07785	0.8
131.04964	1.2
131.08557	6.8
133.06422	2.5
133.10141	4.5
135.04384	0.7
135.08057	2.0
135.11679	6.0
137.05948	0.7
137.09645	1.3
139.07550	1.0
141.07066	0.6
141.09077	0.6
142.07848	0.7
143.08542	1.1
145.06462	1.8
145.10107	8.1
147.04422	1.4
147.08035	3.3
147.11696	3.4
149.09618	3.5
151.11131	0.6
153.12772	2.0
155.08560	1.7
157.06491	0.6
157.10120	4.6
159.08131	1.1
159.11761	0.9
161.06015	2.2
161.09489	0.5
163.11177	12.7
165.12723	0.9
171.08118	0.8
173.09619	3.5
175.11197	4.5
181.12248	2.0
185.13286	0.9
187.11110	0.8
189.09105	1.2
189.11235	1.4
189.12802	0.6
191.10672	2.2
193.10469	1.1
193.12231	11.1
195.11742	0.6
205.12181	1.3
209.11736	3.2
211.13245	5.0
227.12735	4.2
231.13782	1.2
243.13721	0.8
249.14938	1.6
265.14346	1.3
267.15909	28.8
268.16290	0.9
269.15399	1.2
271.13531	0.7
273.14905	1.7
283.15384	24.4
284.15787	1.8
285.16913	2.2
289.14322	2.3
301.16681	0.7
337.21692	1.1
355.22900	1.3
363.52744	0.6
365.21182	2.4
383.22141	12.9
384.22345	0.8
401.23074	6.9
407.24252	0.7
419.24390	1.5
439.24951	1.0
457.25848	23.7
458.26089	1.7
475.26901	100.0
476.27234	6.9
493.27936	18.8
494.28339	2.2
511.29089	4.8
517.27942	1.6
578.74493	0.7
708.31274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01873	1.4
55.05512	8.0
57.03184	0.8
57.03442	10.6
57.07070	1.3
61.02920	1.6
65.03957	0.9
67.05507	27.0
69.03429	2.3
69.07065	9.5
69.76180	1.3
69.76536	1.1
71.01343	0.9
71.04998	3.1
73.02924	1.0
79.05499	18.3
81.03422	44.2
81.07060	33.2
82.03726	0.9
82.07379	0.7
83.04986	5.3
83.08129	0.7
83.08627	14.0
85.02892	2.7
85.06537	2.5
91.05032	0.4
91.05482	16.2
93.07049	24.4
94.07410	0.8
95.04975	16.0
95.08599	7.5
97.02888	2.4
97.06540	6.7
97.10172	1.9
98.22764	0.7
99.04462	0.7
99.08091	1.1
105.04539	0.9
105.07030	8.5
107.04948	4.4
107.08595	13.9
109.06512	2.9
109.10163	3.6
111.04440	1.6
111.08084	6.7
117.07018	4.5
119.04921	0.6
119.08569	5.9
121.06502	2.4
121.10146	10.3
123.04486	0.6
123.08076	1.0
123.11695	1.0
125.09679	1.1
129.06987	5.3
131.08566	8.7
133.06523	1.4
133.10139	7.4
135.08064	1.3
135.11681	4.0
137.09589	1.2
139.11197	0.7
142.07800	1.4
145.10114	1.6
147.08022	1.4
147.11688	4.1
147.74519	0.5
149.09619	3.2
149.13248	13.4
151.11134	1.1
157.10127	5.0
159.11681	5.8
163.11169	1.6
165.12819	0.9
173.13058	0.7
175.11206	6.0
177.12785	2.2
187.92641	0.6
193.12245	13.5
193.13962	0.8
195.13817	4.7
211.13281	2.1
229.14380	1.0
249.14883	1.9
259.09613	1.1
267.15915	47.0
268.16245	1.7
269.17480	47.1
270.17755	1.2
283.15396	1.6
284.15823	0.8
285.16733	0.8
290.26718	0.6
369.24319	1.1
417.26346	0.9
435.27487	6.0
443.27802	1.7
461.28989	100.0
462.29303	6.6
466.22461	0.7
475.26959	1.5
479.30057	3.0
493.27890	1.4
503.29971	1.4
510.27597	1.0
511.28024	0.9
511.33337	0.6
529.29236	1.0
708.32190	5.7
709.32965	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	708.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49323	0.6
53.03955	0.7
55.05511	1.7
57.03444	0.6
57.07078	73.1
58.07401	0.9
58.23050	0.4
59.05002	1.2
65.03934	0.5
67.05511	1.1
69.03444	1.2
69.07063	1.1
69.36214	1.5
69.36623	1.1
71.05002	0.7
71.08617	1.5
73.02911	0.7
73.06551	2.9
79.05510	1.7
81.03439	0.9
81.07053	1.7
83.04972	0.8
83.08638	0.9
83.88254	0.5
85.02929	0.5
87.04471	26.0
89.06033	100.0
90.06351	1.0
91.05481	9.1
91.07600	1.1
92.57841	0.4
93.07051	6.3
95.04971	3.6
95.08620	1.2
97.06580	0.5
98.23440	1.1
103.05474	2.6
105.04533	1.8
105.07019	3.5
106.13748	0.4
107.04992	1.0
107.07085	2.2
107.08605	3.5
109.06551	1.7
109.10168	0.5
113.13313	1.6
117.07050	2.3
117.09139	1.8
118.07809	4.7
119.04941	4.2
119.08580	6.9
119.09323	0.7
121.06512	26.0
121.10172	1.3
123.08081	1.2
129.07051	1.0
130.08667	1.4
131.07047	11.5
131.08595	1.0
133.08607	66.8
134.08984	0.6
135.08060	4.2
135.11725	2.0
145.06430	0.6
147.08046	12.9
147.09125	0.8
149.09621	4.7
150.06749	5.3
159.11740	2.0
163.11212	2.8
165.09128	8.5
167.10681	2.6
173.09657	1.4
175.09688	8.8
175.11087	1.0
177.11235	31.8
177.12575	1.8
178.11552	0.6
184.07291	0.5
189.09151	0.5
191.10641	4.3
193.10730	0.7
193.12302	1.8
207.13960	0.6
209.11720	4.2
211.13306	3.2
219.12245	2.7
221.13817	7.6
223.15451	0.8
233.18997	21.3
233.21291	1.2
234.19334	0.8
235.13277	3.4
239.14995	1.0
247.20679	0.7
253.14423	2.1
255.15921	3.4
259.20599	4.0
265.16544	3.3
275.20139	0.8
275.23807	1.4
277.21625	32.5
278.22253	1.0
279.16052	1.8
283.17645	1.9
297.17044	0.8
299.18707	1.7
303.23163	3.2
309.19241	1.6
315.18277	0.7
319.22913	0.9
321.24231	9.1
327.20078	1.5
341.19534	0.6
353.21854	1.5
359.20706	0.6
371.22925	0.7
397.24261	1.1
491.28644	0.8
559.38470	0.6
579.33490	4.2
603.41107	0.5
647.43866	0.7
687.17993	0.5
691.46198	15.7
692.47046	1.2
708.40186	1.3
708.49353	17.0
709.49750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
63.01724	0.2
67.05490	0.4
69.03426	1.7
70.06596	2.1
71.04995	0.9
79.05489	0.6
80.05009	0.5
81.06628	0.2
81.07061	2.0
82.06589	0.4
83.07378	0.1
84.08155	0.8
84.70500	0.1
89.03065	0.2
91.05482	0.3
93.07040	0.6
94.06566	0.3
95.04974	0.2
95.08610	0.5
96.08138	0.6
97.02898	0.8
97.08912	0.3
98.23479	0.4
99.04455	0.3
105.07035	0.5
107.08576	1.1
108.08154	0.3
108.67576	0.1
109.06525	0.7
110.09678	0.4
111.08077	0.6
111.10438	0.2
119.08601	0.3
120.08109	0.2
122.07247	0.1
122.09660	1.5
123.08051	0.2
124.08855	0.5
124.11238	0.4
125.05992	0.4
128.07085	0.4
131.08598	0.2
133.10057	0.2
135.08047	0.4
136.11218	1.0
137.05980	5.5
137.11966	0.2
145.10123	0.3
147.08112	0.2
147.11693	0.2
147.12856	0.1
148.11162	0.2
150.09160	1.8
152.10741	0.3
154.12254	0.4
159.11674	0.1
160.11215	0.2
161.09683	0.2
162.12787	0.7
164.10687	0.2
164.14417	0.4
166.15907	1.3
168.10207	1.8
176.14467	0.2
177.12706	0.2
182.11790	2.2
184.13332	0.5
190.15883	0.3
192.17513	0.2
194.15367	0.7
196.13309	0.2
197.20926	0.1
218.15208	0.2
221.11720	1.7
222.14891	0.2
236.16451	4.1
264.19589	1.6
274.18121	0.2
278.17673	0.3
290.17624	0.2
292.19067	2.5
316.19043	1.7
320.18567	0.6
362.23141	0.2
372.21951	0.2
390.22739	100.0
391.23053	4.3
651.85663	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	709.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17471	0.1
60.04078	0.1
60.38141	0.1
61.06168	0.1
65.21919	0.1
67.05502	0.3
69.03423	1.3
69.13935	0.8
70.06594	1.8
71.04994	1.1
71.69580	0.1
79.05487	0.5
80.05014	0.5
81.07053	1.5
82.06603	0.2
84.08129	0.5
86.04708	0.1
90.12381	0.1
91.05492	0.2
93.07013	0.6
94.06552	0.3
95.04980	0.2
95.08625	0.4
96.08133	0.5
97.02882	0.5
97.06546	0.2
97.08931	0.2
98.22688	0.3
99.04456	0.3
101.59494	0.1
105.07063	0.3
107.08596	0.7
108.08090	0.1
109.06530	0.6
109.56475	0.2
110.09680	0.4
111.08040	0.3
112.07639	0.1
114.46011	0.1
119.08567	0.2
122.09645	1.1
123.08036	0.3
124.08897	0.6
124.11250	0.2
125.06016	0.4
126.09196	0.1
128.07072	0.1
134.09648	0.2
135.08069	0.3
136.11203	0.9
137.05974	4.1
138.12799	0.2
142.08467	0.1
145.10130	0.2
147.11650	0.2
148.11263	0.2
150.09166	1.5
152.10764	0.3
154.12276	0.3
159.11732	0.1
162.12823	0.4
164.14378	0.2
166.15918	0.9
168.10181	1.5
173.09593	0.2
180.10313	0.2
182.11768	1.8
184.13344	0.5
187.11290	0.1
190.15903	0.1
194.15375	0.6
196.13385	0.2
198.11275	0.2
203.10742	0.1
218.15314	0.1
221.11702	1.6
234.15039	0.2
236.16431	3.1
236.18672	0.2
264.19601	1.6
274.18112	0.2
278.17569	0.3
290.17511	0.4
292.19067	2.3
316.19031	1.3
320.18484	0.8
362.23004	0.2
372.21835	0.2
390.22733	100.0
391.23102	4.8
391.27118	0.1
736.69611	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	709.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05523	0.1
56.05010	0.1
67.05496	0.3
67.22586	0.1
69.03434	1.5
69.47088	0.7
70.06589	2.0
71.04986	1.0
79.05482	0.5
80.05015	0.4
81.07055	1.7
82.06544	0.2
84.08146	0.7
89.32458	0.1
91.05500	0.2
93.07050	0.4
94.06568	0.3
95.08602	0.4
96.08130	0.6
97.02910	0.7
97.06474	0.1
97.08915	0.2
97.42142	0.1
99.04486	0.1
105.07024	0.4
107.08608	0.9
108.08133	0.2
109.06512	0.6
110.09674	0.5
111.08065	0.3
119.08546	0.2
120.08120	0.2
121.10150	0.3
122.07263	0.2
122.09679	1.3
123.08087	0.3
124.08846	0.6
124.11251	0.3
125.05992	0.3
128.07036	0.2
133.10121	0.2
134.09660	0.2
135.08040	0.3
136.11208	0.9
137.05983	5.1
137.09657	0.2
137.12007	0.2
140.10750	0.2
141.95619	0.1
145.10158	0.2
148.11235	0.2
150.09157	1.6
152.10706	0.5
154.12286	0.3
159.11647	0.2
162.12810	0.5
164.10664	0.1
164.14388	0.3
166.15932	1.1
168.10191	1.6
175.11217	0.2
176.14305	0.2
182.11755	2.2
184.13356	0.6
190.15939	0.2
194.15329	0.8
208.27777	0.1
218.15366	0.2
221.11726	1.4
234.14844	0.2
236.16452	3.3
248.21722	0.1
264.19583	1.4
274.17999	0.1
278.17618	0.3
290.17526	0.4
292.19095	2.7
299.05344	0.1
316.19131	1.6
320.18494	0.9
362.22964	0.2
372.21658	0.2
390.22729	100.0
391.23041	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	710.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14812	0.7
53.03936	1.1
55.01882	3.1
55.05519	5.8
57.03437	6.2
59.04980	0.6
61.02925	0.9
65.03931	0.9
65.93327	0.6
67.05504	20.2
69.03424	2.5
69.07067	5.8
69.13363	3.6
71.04992	3.5
73.02911	1.0
79.05492	9.5
81.03419	30.5
81.07053	19.5
82.07392	0.8
83.04971	6.7
83.08617	7.7
84.10154	0.7
85.02896	2.3
85.06544	2.5
91.05484	21.0
93.07047	12.5
93.86517	0.6
95.04969	10.5
95.08602	5.2
97.02894	2.6
97.06522	3.5
97.10143	1.4
97.30226	0.7
98.22724	1.6
99.04444	1.5
99.08123	0.9
101.06007	0.6
105.07030	19.7
107.04951	2.9
107.08594	13.8
109.02876	0.8
109.06533	3.3
109.10161	29.3
111.04448	0.9
111.08096	3.8
113.05981	2.0
115.05481	0.8
116.99196	0.6
117.07035	1.3
119.08581	6.1
121.06479	0.7
121.10146	2.5
123.11723	5.8
125.09652	1.7
127.07569	2.0
129.07022	3.2
131.08591	4.3
133.06493	1.2
133.10130	42.3
134.10457	1.1
135.11752	0.8
137.09677	1.1
142.07718	1.0
145.10155	1.1
147.08054	0.8
147.11707	4.0
149.09657	1.9
151.07481	0.8
151.11183	21.4
155.86346	0.7
157.10144	3.9
161.09659	1.8
163.11151	1.3
165.12749	1.3
169.12279	3.2
175.11168	5.1
179.10696	1.7
193.12236	14.9
194.12512	0.9
211.13284	4.7
215.12784	1.2
243.40094	0.6
249.14713	0.7
253.14352	100.0
254.14674	2.9
255.16000	0.8
267.15918	42.0
268.16132	1.9
271.15411	24.8
283.15363	1.8
285.16946	2.3
371.22165	0.8
384.44202	0.8
437.25116	1.0
445.25888	18.6
446.25903	1.9
459.27173	1.6
463.26886	56.5
464.26965	3.6
465.21362	0.7
477.28207	2.8
495.29459	4.9
505.27786	2.3
530.14441	0.8
530.31012	0.8
571.29114	0.7
710.33850	3.6
711.30090	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	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72249	0.7
55.01864	2.9
55.05262	0.7
55.05511	11.3
57.03177	1.1
57.03436	11.4
61.02925	0.8
65.03927	1.2
67.05503	15.2
68.88710	0.6
69.03428	3.4
69.07066	4.7
69.58546	2.8
70.05397	0.5
71.01340	0.6
71.04969	3.2
72.28529	0.6
79.05489	17.1
81.03415	80.7
81.07053	18.8
82.90532	0.6
83.04980	6.5
83.08619	17.3
84.17749	0.6
85.02899	11.8
85.06535	1.1
91.05476	23.1
93.07041	12.6
95.04967	25.0
95.08595	6.7
97.02867	3.3
97.06526	2.3
97.10179	4.9
99.54920	0.6
105.04468	0.7
105.07026	16.3
107.04960	7.4
107.08601	5.9
109.06507	4.2
109.10137	2.6
111.04438	2.1
111.08064	7.4
113.05933	1.0
115.05476	1.7
117.07004	2.0
118.31798	0.7
119.04940	1.1
119.08580	13.9
121.06473	4.2
121.10145	9.4
123.08080	3.1
123.11734	1.0
125.09606	3.0
126.48956	0.7
129.06987	10.2
131.04918	1.1
131.08551	10.3
132.08940	0.7
133.06503	3.3
133.10135	7.8
135.08006	1.0
135.11655	0.7
137.09650	1.2
142.07771	2.5
143.08522	0.9
145.06464	5.0
145.10098	2.1
147.08023	3.8
147.11684	10.0
149.09608	6.3
155.08566	1.2
157.10115	10.2
163.11145	1.5
165.12738	2.5
169.10136	0.8
171.08034	1.2
171.11632	1.2
175.11194	10.4
185.13313	0.9
189.11185	0.7
193.12238	28.1
195.11749	0.9
211.11510	0.7
211.13284	14.7
219.13628	0.8
229.14235	1.2
231.13631	0.8
249.14807	1.7
255.13832	2.2
267.15900	100.0
268.16281	4.0
273.14764	3.2
285.16959	17.6
286.17218	0.8
306.16782	1.0
307.17731	1.0
309.17010	0.7
341.21024	1.0
349.21445	2.2
367.22693	7.4
385.23694	10.1
403.24677	2.8
433.25830	13.9
434.21548	1.7
441.26428	6.8
459.27396	66.9
460.27872	5.4
477.28473	44.5
478.28842	3.5
495.28802	1.5
587.99939	0.8
603.31348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13914	0.5
94.93018	4.8
96.92835	1.6
133.26814	0.5
173.12444	0.5
196.74097	0.5
210.89351	0.5
237.93591	0.5
256.92508	0.6
268.48434	0.6
272.89816	1.9
276.43332	0.5
276.91397	0.6
310.06934	0.5
323.97769	0.5
338.87320	0.5
454.90591	0.5
510.84976	0.8
512.85895	2.9
514.85858	1.3
538.44165	0.5
711.20074	100.0
712.20422	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	711.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75514	0.3
53.03944	0.4
55.01875	0.3
55.05508	0.5
57.03429	0.7
61.02925	1.1
67.05510	1.7
69.03429	1.1
69.07068	0.4
71.04989	0.5
73.02914	0.9
77.17633	0.2
81.03414	1.7
81.07062	1.5
82.07363	0.3
83.01344	0.4
83.04977	0.6
83.08629	0.7
85.02901	1.6
91.03936	1.3
91.05458	1.2
93.07044	1.0
95.04976	1.0
95.08603	0.9
97.02891	1.6
97.06523	0.5
99.04469	0.4
101.02368	0.4
105.07034	1.0
107.04971	0.6
107.08607	0.6
109.02871	0.3
109.06535	0.4
109.10178	0.8
111.04458	0.4
111.08096	0.3
117.07049	0.4
119.08588	0.7
121.10168	0.6
123.08056	0.3
123.11701	0.3
127.03922	0.7
129.07016	0.3
131.08588	0.5
133.10164	0.7
135.04436	1.1
135.11714	0.6
137.09644	0.2
145.10149	0.8
157.10130	0.4
163.11208	1.0
173.09596	0.3
174.24666	0.3
175.11180	0.3
191.10786	0.4
193.12309	0.5
209.11833	0.2
211.13374	0.4
220.13712	0.3
243.08516	0.6
267.09152	0.4
267.15842	0.6
283.15408	0.8
285.10110	0.4
285.17068	0.5
348.87799	0.3
375.74329	0.3
383.42273	0.3
384.38660	0.2
385.13159	0.3
386.13162	0.6
451.18918	0.3
460.28107	0.4
463.26556	0.3
467.18976	3.2
478.28854	0.6
483.16376	0.6
485.17664	0.6
495.29437	0.7
496.29630	0.9
639.29718	0.6
667.35040	0.8
693.30908	2.5
711.30212	100.0
712.30377	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	711.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03424	1.2
61.02930	2.3
67.05500	4.0
68.42600	0.4
69.03413	2.0
69.07047	0.9
71.05005	0.9
73.02897	1.6
81.03399	2.0
81.07058	3.0
83.04969	1.2
83.08618	1.1
85.02896	2.8
91.03934	1.1
91.05470	2.1
93.07051	2.9
95.04954	1.4
95.08588	1.6
97.02853	1.9
97.06498	1.0
99.04417	0.8
101.02341	0.4
105.06993	1.8
107.08579	1.5
109.06448	0.6
109.10138	1.4
110.10503	0.7
111.04449	0.5
119.08602	1.1
121.10149	1.0
123.08031	0.5
127.03884	1.1
129.05374	0.4
129.06938	0.7
131.08521	0.7
133.10149	0.7
135.11646	1.2
139.17705	0.5
145.04886	0.7
145.10107	0.9
147.11624	0.8
163.11157	1.2
187.24593	0.5
193.12170	1.0
229.14368	0.5
243.08235	1.3
263.14313	0.4
267.11798	0.5
267.15796	0.9
268.16177	0.6
283.15167	1.0
301.09143	0.6
352.25659	0.8
413.17599	1.0
467.18814	3.6
485.19211	2.0
639.29846	6.3
640.29480	0.7
653.30859	0.8
667.32861	0.9
693.29987	1.8
711.29791	100.0
712.30225	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	711.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.03441	0.8
61.02925	1.1
67.05508	1.3
69.03428	0.6
69.07083	0.4
71.04993	0.3
73.02917	1.0
76.71133	0.3
79.05493	1.1
81.03429	1.5
81.03959	0.2
81.07048	1.3
82.03751	0.3
83.04965	0.5
83.08620	0.4
84.96702	0.3
85.02898	1.6
90.67383	0.2
91.03950	0.6
91.05486	1.0
93.07042	1.2
95.04976	0.9
95.08619	0.4
97.02909	1.3
98.22718	0.8
99.04436	0.3
101.74046	0.3
105.07027	0.6
107.04965	0.4
107.08598	0.7
107.96088	0.2
109.10159	0.7
117.07030	0.3
119.08609	0.3
121.10149	0.4
125.06005	0.3
126.63892	0.3
129.07071	0.3
131.08611	0.3
133.10114	0.5
135.04448	0.8
135.11710	1.0
136.04810	0.4
145.10121	0.5
163.11218	0.9
173.09630	0.3
191.10651	0.3
193.12141	0.3
211.13411	0.3
229.60304	0.3
243.08504	0.3
249.11122	0.3
267.15909	0.3
268.16275	0.3
283.15405	0.5
285.10315	0.3
285.16962	0.4
305.13718	0.3
386.13046	0.4
467.18915	2.9
483.16537	0.4
485.18845	0.6
494.98203	0.3
495.29367	0.6
496.29861	0.9
527.71381	0.2
639.29236	0.3
667.33557	0.3
693.31000	2.4
711.30170	100.0
712.30389	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	711.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01872	0.5
55.05516	1.4
57.03433	1.8
58.69349	0.3
61.02934	3.4
63.29831	0.3
67.05506	2.7
68.63468	0.3
69.03426	2.1
69.07071	0.9
71.04997	0.3
72.68054	0.4
73.02919	2.2
81.03415	4.5
81.07061	3.1
82.03769	0.5
83.00879	0.3
83.04984	1.2
83.08616	2.1
85.02910	4.6
85.06577	0.4
87.04446	0.4
91.03970	2.3
91.05479	4.1
93.07050	2.2
95.04977	2.0
95.08627	1.2
95.27997	0.3
97.02894	3.3
97.06561	1.0
97.76627	0.3
99.00826	0.8
99.04471	0.9
101.02406	1.0
105.04576	0.3
105.07027	1.9
105.37162	0.3
107.04972	1.1
107.08614	1.3
109.02922	1.0
109.06535	0.7
109.10175	1.0
111.08116	0.8
115.03908	0.3
118.97735	0.3
119.08582	1.7
121.06539	1.0
121.10172	1.3
123.08040	0.4
123.11718	0.4
127.03959	1.2
129.06956	0.6
131.08588	1.1
133.06479	0.5
133.10129	2.7
137.05997	0.4
137.09587	0.6
147.08093	0.4
147.11740	1.3
151.11212	0.6
157.10178	0.7
161.09665	1.3
163.11200	0.9
163.15050	0.3
173.17407	0.3
175.11249	0.5
179.10774	0.5
185.04236	0.5
189.09145	0.4
193.12321	1.8
194.12521	0.5
211.13289	1.8
212.13591	0.4
225.11253	0.6
243.08505	1.3
251.12642	0.5
264.32071	0.3
265.10486	0.7
267.15988	2.1
268.16302	0.9
269.12473	0.4
283.15463	0.4
285.17032	1.4
286.17593	0.7
299.14990	0.6
321.12885	0.4
447.27606	1.2
459.27438	0.9
460.27777	1.4
467.18896	0.6
469.20450	4.6
477.28622	0.9
478.28262	1.6
483.18286	5.9
485.19629	0.6
495.29617	0.8
496.29681	2.2
592.88409	0.4
667.35535	0.4
693.30719	0.7
711.31927	100.0
712.32147	7.5
744.83716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01871	0.6
55.05510	0.9
56.05846	0.3
57.03438	1.1
57.14204	0.3
59.04990	0.7
61.02929	3.8
62.27751	0.3
62.94639	0.3
67.05503	3.0
69.03434	2.4
69.07092	0.7
69.53594	1.2
71.01371	0.6
71.05006	1.4
73.02927	1.8
81.03416	4.4
81.07064	2.6
83.05003	1.1
83.08638	1.2
85.02902	3.5
85.06532	0.4
86.91151	0.3
87.04485	0.5
91.03959	2.0
91.05490	4.8
93.07047	2.9
95.04968	1.5
95.08643	1.0
97.02895	3.0
97.06565	0.7
98.22729	0.4
99.04474	0.7
101.02401	1.4
103.03962	0.5
105.07034	2.3
107.04966	0.7
107.08626	1.0
109.02901	0.7
109.06522	0.5
109.10190	0.6
111.08178	0.5
119.08594	1.7
121.06450	0.3
121.10165	1.7
123.08103	0.5
127.03896	0.7
129.07050	0.9
131.08603	1.4
133.10149	1.8
135.00897	0.3
145.04999	0.4
145.10211	0.6
147.11763	1.4
149.09628	1.5
157.10207	1.0
175.11194	1.6
185.04228	0.6
193.12279	1.6
197.15279	0.5
203.05357	0.3
225.14943	0.5
233.11601	0.9
234.00645	0.3
243.08357	2.1
267.15933	1.5
283.15149	3.8
339.17923	0.6
451.19440	7.5
451.25369	0.5
469.20706	0.4
490.77045	0.3
501.23062	8.6
502.23819	0.5
549.30151	0.4
568.61505	0.4
639.29694	2.4
711.35651	100.0
712.36084	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	711.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.72177	0.2
55.05518	0.6
57.03444	1.8
59.05008	0.4
59.66265	0.2
61.02934	4.4
67.05501	1.7
68.88891	0.3
69.03434	2.1
69.07087	0.5
71.01367	0.4
71.04998	0.8
73.02917	2.9
78.24873	0.2
80.14447	0.3
81.03419	8.6
81.07057	1.7
83.04990	0.5
83.08630	1.7
85.02908	4.2
85.06554	0.3
87.04488	0.5
91.03957	2.9
91.05480	2.7
93.07061	1.2
95.04980	3.1
95.08612	0.7
97.02898	4.0
97.06544	0.4
97.10194	0.3
99.04476	0.9
101.02390	1.6
105.07041	1.4
107.04969	0.8
107.08616	0.8
109.02922	0.7
109.06564	0.4
109.10201	0.5
111.04429	0.3
111.08095	0.8
115.03973	0.4
119.08617	1.2
121.06570	0.4
121.10130	1.5
122.62678	0.2
127.03915	1.4
129.07040	1.1
131.08611	0.9
133.06581	0.4
133.10158	0.9
142.07846	0.3
145.05003	0.3
145.10085	0.3
147.08083	0.6
147.11650	1.3
149.09624	1.3
157.10068	1.3
163.11195	0.3
175.11211	1.3
185.04247	0.3
188.33934	0.3
193.12219	2.9
193.13756	0.3
211.13290	0.4
225.14954	0.3
233.11438	0.4
234.90192	0.3
238.61618	0.3
240.20682	0.3
243.08392	2.3
252.41650	0.3
267.15967	2.2
268.16449	0.3
283.15179	4.4
339.17856	0.4
451.19379	8.6
499.30597	0.7
501.23090	6.4
609.37671	0.3
711.35626	100.0
712.35883	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	711.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.2
57.92851	0.2
65.76316	0.2
69.03424	0.3
69.07075	0.2
69.44881	0.7
69.45296	0.4
80.05038	0.5
84.08131	0.4
85.02911	2.7
87.49807	0.2
93.07043	0.3
94.06578	0.3
97.06519	0.3
103.03950	0.7
108.08147	0.3
120.08090	0.4
122.09639	1.2
124.11237	0.4
131.31766	0.2
136.11212	1.5
137.12013	0.3
148.11197	0.5
150.09143	1.4
152.10693	0.3
162.09177	0.3
162.12778	2.7
168.10187	1.0
176.10739	0.6
176.14363	0.5
182.11766	0.7
188.46149	0.2
190.12282	0.3
190.15874	0.2
194.11784	0.6
208.16916	0.3
210.14893	0.4
218.15498	0.3
234.14928	0.6
236.16444	13.6
237.16689	0.5
246.14885	0.3
261.97745	0.2
264.15964	8.1
274.18152	0.3
276.19510	0.5
294.20657	1.0
302.17502	0.3
320.18579	5.6
338.19592	100.0
339.19916	4.3
500.26288	0.3
602.35352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.05503	0.2
66.51385	0.1
67.05488	0.3
68.05015	0.1
69.03434	3.3
69.65076	0.5
69.65445	0.1
70.06592	2.0
71.04640	0.2
71.04996	2.4
73.59431	0.1
79.05476	0.5
80.05002	0.5
81.07058	0.9
82.06595	0.2
83.04942	0.2
83.07346	0.2
84.08139	0.7
85.06532	0.1
86.06044	0.2
86.49789	0.1
91.05472	0.4
93.07037	0.3
94.06557	0.3
95.08599	0.6
95.09171	0.1
96.08141	0.7
97.06500	0.3
99.04457	1.4
100.07622	0.2
101.06029	0.2
105.07030	0.5
107.08607	0.6
108.52382	0.1
109.10168	0.3
110.09681	0.4
111.08084	3.1
112.07601	0.2
119.08552	0.7
121.10114	0.2
122.09649	1.1
123.08063	0.2
124.07604	0.3
124.11234	0.3
125.05981	0.5
125.09592	0.3
128.07098	0.4
131.08534	0.2
133.10133	0.3
134.09653	0.2
136.11212	1.1
137.09601	0.1
139.07544	3.5
140.07887	0.2
145.10077	0.2
147.11681	0.2
148.11111	0.2
149.09616	0.4
150.09152	1.4
152.10695	0.5
153.09166	0.2
154.12265	0.3
159.08292	0.1
159.11664	0.2
160.11243	0.2
162.12788	0.3
168.10213	0.9
175.11142	0.2
176.14354	0.2
177.12790	0.2
180.10130	0.3
182.11777	2.3
184.13390	0.2
195.13770	1.1
198.11269	0.4
207.13799	0.1
221.11717	0.3
223.13321	1.4
234.14920	0.3
262.17978	0.4
264.19598	0.2
292.16241	0.1
292.18967	0.7
318.20679	1.5
320.18451	1.1
341.06650	0.4
374.23239	0.2
390.22711	0.9
391.22995	1.7
392.24286	100.0
393.24640	4.9
408.67969	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	711.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05514	0.3
56.05034	0.4
57.03439	0.3
57.69424	0.1
59.04986	0.2
67.05493	0.5
67.05840	0.2
69.03426	0.5
69.07048	0.2
70.06593	0.3
71.04989	0.3
77.17737	0.1
79.05484	0.7
80.05020	0.5
81.07048	0.4
82.06587	0.6
83.04958	0.2
84.08150	0.4
89.18103	0.1
91.05484	0.5
93.07046	0.6
94.06570	0.5
95.08602	0.3
96.08116	0.4
97.06541	0.2
97.08903	0.2
100.07617	0.9
105.07037	0.4
106.65553	0.2
107.08547	0.3
108.08109	0.3
109.10181	0.1
110.09669	5.0
111.08101	0.1
117.07064	0.2
119.08545	0.2
120.08120	0.6
121.06448	0.1
121.10128	0.2
122.09676	1.1
124.11194	0.2
125.06028	0.3
125.09655	0.2
127.11135	0.2
132.08041	0.2
133.10239	0.2
134.09639	1.5
136.11198	0.6
137.11996	0.4
138.09126	0.2
144.38446	0.1
145.10120	0.1
146.09610	0.2
147.11594	0.2
148.11171	1.0
149.12025	0.3
150.09151	0.6
150.12733	0.2
160.11224	0.4
162.06879	0.2
162.09035	0.1
162.12772	2.5
163.13612	0.2
168.10202	0.3
168.89810	0.1
174.12825	0.3
176.10756	0.3
177.15015	0.2
188.14314	0.3
190.15994	0.3
194.11876	0.2
206.15324	0.2
208.13293	0.3
208.17024	0.2
218.15428	0.3
220.16925	1.3
221.77600	0.2
234.14835	0.5
236.16437	5.7
237.16774	0.3
248.16309	0.2
248.20065	0.3
276.19568	1.7
294.20624	100.0
295.20953	5.0
392.24268	1.4
507.02792	0.2
551.90613	0.2
651.10754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74364	0.2
55.01871	0.4
55.05510	0.4
58.90714	0.2
67.05499	0.4
69.03434	4.0
70.06596	2.0
71.04995	2.6
72.04519	0.2
75.54123	0.2
79.05500	0.6
80.05016	0.4
81.03437	0.3
81.07054	0.9
82.06560	0.3
84.08141	1.2
85.02908	0.5
91.05487	0.4
93.07051	0.8
94.06572	0.6
95.04969	0.3
95.08631	0.6
96.08138	0.6
97.02889	0.2
97.06536	0.3
99.04466	1.8
100.16130	0.2
104.81865	0.2
105.07054	0.6
107.08596	0.7
108.08138	0.2
109.02892	0.2
109.06519	0.2
109.10164	0.2
110.09737	0.4
111.08076	2.9
115.03923	0.5
117.07053	0.2
119.08609	0.7
121.06554	0.2
121.10156	0.4
122.09663	1.4
124.07590	0.3
125.06009	0.5
127.03954	0.4
128.07104	0.4
131.04962	0.2
131.08575	0.3
133.02930	0.2
133.10120	0.4
134.09657	0.2
135.08098	0.2
136.11211	1.0
137.09586	0.3
139.07552	3.1
145.04930	0.2
145.10138	0.3
147.11687	0.2
148.11221	0.2
149.09618	0.3
150.09148	1.4
150.78702	0.2
152.10739	0.3
154.12219	0.3
159.11691	0.2
162.12814	0.3
163.03937	1.3
164.14346	0.2
168.10197	1.1
177.12753	0.4
180.10159	0.3
182.11749	1.9
184.13373	0.5
188.14377	0.2
195.13843	1.2
198.11230	0.5
204.13982	0.2
205.12198	0.2
221.11755	0.3
222.15027	0.2
223.13329	1.4
234.14839	0.2
238.11572	0.3
262.18030	0.3
264.19437	0.3
276.19693	0.3
285.12930	0.2
290.17526	0.4
292.15714	0.3
292.19022	2.0
293.19403	0.2
295.06131	0.2
318.20633	1.6
320.18695	1.2
341.06555	3.0
374.23233	0.4
390.22488	0.4
391.23022	0.6
392.24304	100.0
393.24634	5.4
393.29742	0.3
420.20001	0.2
422.21640	0.4
604.71234	0.2
604.80774	0.2
707.80103	0.2
711.29254	0.3
712.28162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05514	0.3
56.05034	0.4
57.03439	0.3
57.69424	0.1
59.04986	0.2
67.05493	0.5
67.05840	0.2
69.03426	0.5
69.07048	0.2
70.06593	0.3
71.04989	0.3
77.17737	0.1
79.05484	0.7
80.05020	0.5
81.07048	0.4
82.06587	0.6
83.04958	0.2
84.08150	0.4
89.18103	0.1
91.05484	0.5
93.07046	0.6
94.06570	0.5
95.08602	0.3
96.08116	0.4
97.06541	0.2
97.08903	0.2
100.07617	0.9
105.07037	0.4
106.65553	0.2
107.08547	0.3
108.08109	0.3
109.10181	0.1
110.09669	5.0
111.08101	0.1
117.07064	0.2
119.08545	0.2
120.08120	0.6
121.06448	0.1
121.10128	0.2
122.09676	1.1
124.11194	0.2
125.06028	0.3
125.09655	0.2
127.11135	0.2
132.08041	0.2
133.10239	0.2
134.09639	1.5
136.11198	0.6
137.11996	0.4
138.09126	0.2
144.38446	0.1
145.10120	0.1
146.09610	0.2
147.11594	0.2
148.11171	1.0
149.12025	0.3
150.09151	0.6
150.12733	0.2
160.11224	0.4
162.06879	0.2
162.09035	0.1
162.12772	2.5
163.13612	0.2
168.10202	0.3
168.89810	0.1
174.12825	0.3
176.10756	0.3
177.15015	0.2
188.14314	0.3
190.15994	0.3
194.11876	0.2
206.15324	0.2
208.13293	0.3
208.17024	0.2
218.15428	0.3
220.16925	1.3
221.77600	0.2
234.14835	0.5
236.16437	5.7
237.16774	0.3
248.16309	0.2
248.20065	0.3
276.19568	1.7
294.20624	100.0
295.20953	5.0
392.24268	1.4
507.02792	0.2
551.90613	0.2
651.10754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01866	3.4
57.03431	4.1
58.55182	0.6
60.04504	0.7
61.02925	6.5
63.57690	0.7
69.03432	25.1
71.04983	1.6
73.02914	6.3
78.80613	0.7
79.05488	3.1
80.05033	1.4
81.03417	26.3
81.07051	1.0
84.08144	0.7
85.02906	64.7
87.04469	12.4
91.03957	3.8
91.05468	3.0
95.04961	1.8
95.08539	0.6
97.02895	28.7
98.06047	0.9
99.04449	4.5
102.92808	0.7
107.04961	9.9
108.04491	7.8
109.02885	11.8
115.03931	31.4
115.05392	5.4
117.07020	12.5
119.04933	0.9
123.04417	3.2
124.05223	1.5
126.05495	1.9
127.03916	34.8
127.05357	1.5
128.06232	1.0
129.07007	2.2
131.04912	1.0
131.08565	2.7
133.04950	6.0
133.06445	1.1
141.06985	0.9
144.05675	2.8
144.12837	0.7
145.04951	34.8
145.06470	26.1
147.04391	1.5
147.08061	1.0
155.06009	5.1
155.07074	0.9
156.05670	5.9
157.06508	2.4
159.08057	4.9
161.05972	3.4
163.03871	1.4
163.06007	3.3
167.07043	38.2
172.05145	0.7
173.05989	57.4
174.06314	2.0
175.03915	1.4
175.07565	1.7
177.05438	0.9
179.07060	1.3
181.04977	1.5
181.08595	0.8
183.06517	1.0
184.05193	2.2
185.05902	0.9
187.06107	1.1
187.07558	6.4
190.04509	1.7
190.06248	33.8
191.06970	2.3
193.08540	1.8
202.06216	3.8
203.06990	7.1
204.07755	0.7
205.08603	100.0
206.08968	2.3
207.06520	5.5
215.06969	1.1
217.08595	38.4
218.09056	0.8
219.08234	1.0
219.10132	4.7
223.09663	2.8
229.08498	1.4
235.09651	29.6
247.07558	1.5
247.09689	7.6
248.12845	0.7
259.08105	9.7
261.09091	0.7
265.10709	51.2
266.11081	0.8
269.08151	1.0
271.09689	2.5
276.10754	2.3
277.09070	3.6
279.10101	1.3
291.10165	2.1
293.08087	1.6
307.09714	0.9
308.10434	1.0
311.12772	1.0
315.08691	4.8
323.09137	0.9
323.12683	1.5
330.10965	8.2
331.11786	3.5
337.10611	0.9
338.11075	0.8
339.12341	1.1
343.11642	1.5
351.12146	4.0
369.13260	1.4
371.14844	3.0
383.14908	13.3
401.15906	18.9
668.26147	0.8
712.31927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94287	1.5
55.05523	1.7
55.85531	1.4
62.99437	1.4
65.03934	2.6
67.05521	4.2
69.03428	1.7
69.22319	9.7
79.05495	10.9
81.07038	4.2
83.04974	2.4
91.05486	64.5
91.06065	3.5
93.07050	4.5
95.04958	4.8
95.08597	2.4
95.09577	1.3
98.23481	2.5
99.95816	1.4
103.05463	8.1
105.03419	2.1
105.07036	80.3
107.04962	2.3
107.08628	1.7
109.06544	1.7
115.05454	3.2
117.07020	6.9
119.08574	1.7
121.06502	4.5
121.10087	2.3
123.04279	1.5
128.06227	3.2
129.07031	9.0
131.08537	1.7
132.10226	2.0
133.06512	1.8
134.09666	4.3
135.08064	2.5
137.06013	7.7
141.07007	2.5
143.08516	1.6
145.10114	1.5
149.05989	6.6
151.07562	4.6
155.08607	2.4
157.06477	2.5
161.05998	3.7
162.12769	3.2
163.13545	3.6
165.07001	2.2
167.08614	1.9
169.98773	1.6
175.07518	2.9
177.05492	8.8
182.11867	1.7
203.07048	2.4
209.09608	1.8
215.06961	1.9
216.07774	2.8
221.09618	4.3
223.11273	1.9
225.09239	2.6
227.06926	2.8
227.10721	2.1
229.12250	7.0
233.14162	2.5
237.09128	2.2
239.10646	4.6
241.08588	3.4
245.09555	1.9
247.11296	1.5
253.12270	3.5
255.10120	5.5
261.09155	2.0
262.09708	2.3
263.10611	3.2
267.06451	2.2
267.10077	4.8
275.10742	4.1
276.11383	2.1
277.12195	2.4
278.17563	1.8
281.11664	3.0
286.09930	1.8
288.11353	2.3
289.12134	2.8
290.12964	1.9
291.10248	2.2
293.11789	3.6
293.20947	2.9
301.12030	2.0
303.10168	2.1
305.11694	3.3
307.13223	8.7
317.11734	3.5
319.13300	7.3
329.11783	7.0
330.12466	16.0
331.13336	2.2
341.15533	2.7
351.24814	1.8
358.11954	2.2
369.18350	2.3
383.16241	3.1
397.17731	2.9
407.16379	3.5
409.18176	8.7
411.15488	3.2
421.17978	23.2
425.17514	2.2
432.20346	14.5
434.21640	5.8
449.17691	9.1
456.19797	2.7
467.18466	5.6
545.23438	2.4
635.27881	21.0
636.28595	3.2
649.28546	3.7
653.29114	1.9
677.28955	100.0
678.29517	7.7
695.29620	3.4
712.43933	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	712.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01875	3.0
55.05507	8.3
57.03432	5.1
57.07062	4.1
59.04992	2.4
60.32288	1.2
61.02931	6.3
67.05508	10.6
67.60892	1.1
68.28178	1.1
69.03430	28.1
69.07066	12.7
69.36085	4.3
70.06606	1.2
70.07297	1.2
71.04994	17.0
73.02906	5.8
77.03889	1.4
79.05494	16.3
81.03417	19.6
81.07060	60.5
82.06588	1.3
83.05003	3.8
83.07358	5.1
83.08635	6.8
85.02907	79.3
85.06548	3.4
86.03265	1.1
87.04468	28.2
87.08129	1.9
91.03952	3.5
91.05470	14.4
93.07048	30.4
95.04982	5.1
95.08604	31.2
95.31047	1.4
97.02895	24.1
97.06541	5.2
97.10169	3.5
99.04474	8.3
99.08083	3.1
101.02391	2.6
103.03931	3.4
103.05484	1.3
105.07028	31.6
105.07731	2.3
107.08594	45.1
109.02873	13.8
109.06499	4.1
109.10153	34.6
110.46319	1.4
111.04450	1.8
111.08086	3.7
111.11728	1.6
113.09682	2.0
115.03931	100.0
116.04220	1.4
117.07047	3.3
119.04921	2.1
119.08583	51.9
120.08144	2.7
120.08909	1.1
121.10159	14.8
122.09721	1.4
123.08125	1.5
123.11716	19.6
125.09631	3.8
125.12022	1.7
127.03918	39.2
127.11195	24.9
129.07025	1.2
131.08589	4.8
133.04970	32.8
133.06493	2.5
133.10129	30.9
135.04442	2.0
135.08061	2.9
135.11693	70.4
137.05963	1.8
137.09648	3.4
137.13257	4.6
139.11205	2.6
142.12334	1.5
142.26778	1.3
143.08577	4.2
143.10675	31.3
145.02855	7.6
145.04953	33.6
145.06134	1.2
145.06578	1.4
145.10117	5.8
147.04378	2.2
147.08034	1.8
147.11685	22.5
148.22012	1.4
149.09549	2.0
149.13249	8.6
151.11166	4.0
153.12752	3.9
155.08591	1.5
157.04936	2.8
157.10135	4.8
159.11681	7.2
161.09639	1.5
161.13263	12.2
163.03911	2.0
163.06009	7.3
163.07436	2.0
163.11230	3.1
163.14828	5.4
165.12746	1.9
167.07079	2.1
169.10132	1.8
171.11655	3.6
173.09708	1.5
173.13274	3.0
175.14838	4.4
177.12730	1.5
177.16336	3.1
181.10046	1.5
183.11716	1.8
187.11145	1.8
197.13260	1.7
201.12784	1.5
201.16438	1.8
203.17952	54.7
204.18121	1.6
205.08607	1.5
205.19585	2.8
208.16658	1.5
209.11751	1.9
209.15445	1.4
214.61264	1.3
215.18016	1.5
219.17436	2.1
221.19006	95.7
222.14912	1.9
222.19302	3.4
223.20502	2.2
225.12788	2.1
233.11761	2.2
233.19063	1.8
239.20090	6.8
241.07085	2.9
245.18849	1.8
247.08215	1.5
250.18060	4.0
251.12680	1.5
258.55817	1.3
259.08163	10.7
263.20108	1.4
275.07471	2.2
275.20221	1.5
277.09186	41.2
277.12210	2.3
278.09412	1.8
287.14975	1.3
287.19754	1.2
311.20001	4.1
329.21185	5.7
335.25824	1.9
336.55908	1.2
344.18225	1.5
347.22171	2.8
354.13562	1.4
358.12851	4.4
363.19852	1.7
365.23270	3.6
383.16986	2.0
383.24152	2.5
405.21466	7.8
428.17050	10.6
443.24515	1.7
461.25186	3.5
479.26245	5.9
497.27509	2.2
572.21515	1.6
590.22180	1.4
590.42822	1.4
677.67993	1.4
694.28436	1.7
694.39667	1.9
695.40863	5.3
712.29584	12.1
713.31458	2.7
713.42035	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	712.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01874	4.1
55.05512	17.7
57.03440	22.7
57.07083	2.7
59.05018	1.2
61.02932	3.2
65.03960	1.7
67.05508	64.3
69.03427	1.3
69.07069	18.5
69.10699	5.6
71.01360	3.5
71.05008	4.3
73.02927	1.1
73.68528	0.8
77.03923	1.3
79.05498	48.6
81.03426	4.2
81.07063	47.7
83.04986	12.5
83.08624	7.4
85.02928	3.5
85.06556	3.5
91.03960	0.9
91.05482	21.4
93.07052	61.3
95.04976	8.0
95.08611	31.1
95.09223	1.8
97.02903	2.1
97.06538	11.0
97.10165	7.8
98.23512	1.5
99.04408	0.8
99.08096	1.7
104.85555	0.7
105.04523	2.2
105.07032	12.1
107.04967	1.0
107.08598	37.5
109.06522	1.2
109.10162	16.2
111.08107	2.3
117.07028	6.2
119.08579	12.1
121.06507	1.0
121.10149	15.8
123.08108	1.2
123.11716	2.8
125.09627	1.8
129.07025	1.1
131.08583	6.3
131.43518	1.0
133.10147	8.9
135.08115	1.3
135.11699	52.0
136.12076	0.8
137.09621	1.7
139.11154	1.3
145.10123	12.7
145.11223	1.2
147.11726	4.1
149.13252	5.2
151.11252	0.9
153.12740	3.9
159.11685	4.4
161.13277	2.8
163.11162	7.7
163.12334	1.0
163.14873	2.7
167.51878	0.8
171.11714	1.4
173.13280	2.6
181.12228	11.3
187.14851	1.9
199.13306	1.5
227.12871	0.9
233.37662	0.9
243.21141	2.9
253.14351	2.5
255.15927	100.0
256.16357	2.2
258.08926	1.1
261.22119	11.1
317.24710	1.8
335.25812	48.5
336.26205	1.7
370.85443	0.8
423.32547	1.7
441.33701	1.6
446.51157	0.7
459.34467	1.5
515.37341	70.8
516.37445	3.0
533.38287	2.3
712.42725	1.6
717.47729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.01889	0.4
55.05510	0.6
57.03440	0.8
61.02930	1.4
67.05516	1.9
69.03428	1.1
69.07077	0.7
71.04992	0.4
73.02922	1.1
74.08580	0.3
79.05505	1.2
81.03403	2.2
81.07071	1.4
83.04981	0.9
83.08617	0.9
85.02908	2.4
85.06542	0.3
91.03973	0.7
91.05473	1.6
93.07061	1.1
95.04984	1.0
95.08607	0.8
97.02899	1.7
97.06588	0.5
99.04437	0.4
101.02365	0.6
105.07035	0.9
107.05005	0.4
107.08582	0.8
109.02878	0.6
109.06524	0.5
109.10166	0.9
111.04429	0.3
111.08126	0.6
119.08625	0.7
121.06518	0.5
121.10184	0.7
125.09585	0.3
126.48327	0.3
127.03920	0.8
129.07054	0.3
131.08577	0.7
133.10196	0.7
135.04449	0.6
135.11716	0.6
137.06032	0.6
145.10214	0.5
147.11765	0.5
149.09688	0.7
157.10202	0.3
163.11203	0.5
185.04332	0.5
193.12286	1.0
193.57318	0.3
201.98131	0.3
207.10307	0.3
209.11948	0.3
211.13286	0.3
243.08484	0.9
251.12579	0.8
265.71222	0.3
307.15506	0.4
388.21158	0.4
413.17780	0.7
439.19830	0.6
448.27194	0.3
467.18909	1.5
469.20413	3.1
485.20160	1.8
571.26550	0.3
583.31482	0.8
612.31396	0.5
641.31464	3.7
655.32538	0.9
667.33063	0.6
695.32324	1.9
712.32861	0.4
713.32129	100.0
714.32355	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	713.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29678	0.3
55.01872	0.3
55.05514	0.5
57.03440	0.6
61.02925	1.2
67.05509	0.9
69.03429	0.9
69.07066	0.4
69.40409	1.5
73.02912	0.9
79.05510	0.8
81.03426	1.2
81.07047	0.8
83.08641	0.4
83.21992	0.3
83.74728	0.4
85.02896	1.6
91.03964	0.8
91.05508	1.2
93.07069	0.8
95.08617	0.6
97.02901	1.3
97.06550	0.5
98.23367	0.5
101.02424	0.3
105.07040	0.6
109.06552	0.4
109.10184	0.4
119.08623	0.5
121.06579	0.3
127.03947	0.4
129.07039	0.3
130.06502	0.3
131.08627	0.3
147.14490	0.4
163.11082	0.3
191.56358	0.4
193.12291	0.5
243.08435	0.6
251.12619	0.8
283.15604	0.4
285.09937	0.4
362.72855	0.3
388.20679	0.5
413.17764	0.5
439.19543	0.7
467.18936	1.3
469.20535	2.4
485.19156	1.8
528.17206	0.4
583.31451	0.4
585.52588	0.4
641.31989	1.9
655.32660	0.4
667.32568	0.4
669.32507	0.3
695.32251	1.9
713.31873	100.0
714.32068	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	713.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04294	2.1
61.15576	1.8
69.08980	14.4
73.11313	2.1
79.05489	3.1
91.05499	2.1
98.23490	6.2
98.83245	2.1
105.06985	2.6
109.10186	2.7
121.06454	1.9
136.47604	2.2
199.92441	2.4
390.00082	2.2
401.15814	3.1
403.16367	2.2
445.14203	2.7
457.99454	2.2
500.20209	5.0
501.17480	4.4
557.23358	5.2
584.29388	2.7
612.29266	26.5
641.29370	100.0
642.29120	8.8
644.27661	5.0
713.31268	69.0
714.31281	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	713.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67928	1.9
58.01591	2.0
69.07092	2.3
69.82039	1.9
75.43980	1.8
78.28560	2.1
87.71177	1.8
91.05473	4.6
121.10147	2.4
129.07072	2.3
131.08604	2.7
210.90160	2.1
283.00613	2.0
321.10458	2.0
401.15665	2.8
429.14880	3.0
441.18823	2.8
467.18860	2.1
500.19830	4.2
501.17331	3.7
515.18292	2.5
554.35297	2.0
557.23718	4.6
569.26270	2.0
612.28961	23.3
641.29456	100.0
642.29382	7.8
644.28003	4.6
713.31378	76.0
714.32300	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	713.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12201	0.5
55.01858	0.9
55.05514	1.6
57.03434	1.7
60.06233	0.4
61.02925	3.8
67.05509	3.8
69.03428	3.0
69.07071	1.4
69.23722	1.1
69.24116	0.9
70.61025	0.5
71.01334	0.5
71.04998	1.0
73.02915	2.9
73.95848	0.4
75.01938	0.4
78.34461	0.5
79.05485	2.8
81.03419	4.2
81.07056	2.8
83.04977	1.3
83.08608	0.9
85.02903	5.9
89.62372	0.5
91.03960	2.5
91.05475	2.5
93.07028	2.8
95.04988	1.6
95.08627	1.2
97.02891	4.1
97.06555	1.1
98.23485	1.0
99.04472	0.9
101.02399	1.2
105.07061	1.2
105.97412	0.5
107.04988	0.9
107.08606	1.6
109.02923	0.5
109.06551	0.8
109.10144	2.2
111.04445	0.6
111.08127	0.6
115.03943	0.5
117.07086	0.4
119.08596	1.1
121.06552	0.8
121.10157	1.2
123.08102	0.6
123.11772	0.6
127.03960	1.4
131.08601	0.9
133.10147	1.0
135.11722	1.0
137.06038	1.7
137.09662	0.6
145.05029	0.5
145.10141	0.6
147.11713	0.8
153.05469	0.7
157.10172	0.6
163.11176	1.1
168.42648	0.5
173.11659	0.5
175.11189	0.7
185.04387	0.8
193.12274	1.0
195.13867	0.4
197.52724	0.5
211.13330	0.5
224.51936	0.4
243.08527	1.9
249.11031	0.6
251.12602	0.9
267.12061	0.7
301.09018	0.7
371.16739	0.5
385.18442	0.7
386.61871	0.5
413.17737	2.6
439.19543	2.6
451.19397	0.9
465.32242	0.9
466.29620	0.6
467.18970	3.5
469.20490	6.8
485.19934	2.7
499.21765	0.8
515.21356	0.7
583.31006	2.8
611.30261	1.0
612.31458	1.6
623.29852	2.2
641.31360	11.5
642.31879	1.0
667.32806	3.0
669.32867	0.6
695.32513	3.0
713.32874	100.0
714.33081	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	713.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37917	0.3
53.03950	0.6
55.01871	1.0
55.05511	1.1
57.03430	2.0
61.02928	4.2
64.00268	0.3
67.05495	2.2
69.03428	3.9
69.07072	1.1
69.21159	0.8
69.21570	0.9
71.01368	0.6
71.04991	0.7
73.02911	2.8
79.05484	2.6
81.03413	3.9
81.07059	2.1
83.04982	0.8
83.08618	1.0
85.02901	9.9
87.04473	2.1
91.03944	2.5
91.05479	2.4
93.07047	3.6
95.04981	1.4
95.08604	1.3
97.02895	6.0
97.06528	0.7
98.23415	0.8
99.04469	1.5
101.02393	1.3
103.03968	0.3
103.05460	0.6
105.07023	2.0
107.04980	1.2
107.08616	1.3
109.02902	1.9
109.06538	0.9
109.10175	0.6
115.03922	6.3
117.06994	0.7
119.08609	1.0
119.34816	0.3
121.06498	5.5
121.10136	2.3
123.08081	0.4
127.03899	4.2
129.07028	0.8
131.08598	1.0
133.04984	2.7
133.10182	0.9
135.08051	0.6
135.11687	0.7
137.09673	0.6
139.07584	0.4
139.11168	0.8
145.04951	3.4
145.10133	1.6
147.08130	0.6
147.11693	0.6
149.09631	0.9
150.06697	0.4
157.10162	0.5
163.06116	0.7
163.11200	1.8
165.09116	4.1
167.10707	0.5
175.11267	0.4
185.04321	0.5
193.12291	1.2
203.05338	0.4
211.13434	0.4
241.07094	0.5
243.08362	2.0
249.11089	0.7
251.12691	1.0
257.11688	0.6
258.12149	0.5
259.08313	0.9
259.13281	14.2
267.16208	0.4
269.13684	1.2
277.09143	2.4
283.15494	0.6
301.08801	0.5
305.13632	0.4
443.18884	4.0
444.19641	0.4
448.27686	1.5
467.18872	7.5
468.19125	0.4
469.20328	3.0
485.19739	1.0
487.21512	4.1
502.37695	0.4
641.30151	0.5
654.51898	0.3
669.30078	1.8
695.32141	2.0
713.33386	100.0
714.33820	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	713.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39434	0.3
53.03951	2.2
53.04152	0.4
55.01870	2.9
55.05498	0.9
57.03181	0.4
57.03437	5.0
57.30661	0.3
59.04982	0.6
60.71577	0.3
61.02634	0.6
61.02927	8.0
64.89618	0.4
67.05500	2.2
69.03429	20.0
69.07063	1.0
71.01342	0.9
71.04991	3.1
73.02917	7.2
73.03300	0.2
73.38109	0.3
77.03944	0.6
79.05494	4.2
81.03420	13.5
81.03900	0.7
81.07058	2.3
83.01334	1.1
83.04986	0.9
83.08617	0.7
85.02906	58.6
87.04468	15.6
91.03959	4.9
91.05489	5.7
92.84483	0.3
93.07043	7.4
95.04964	3.1
95.08606	1.2
95.92672	0.4
97.02895	23.6
97.06523	0.7
99.04465	3.9
101.02379	2.4
103.03941	1.6
103.05457	5.3
105.04525	0.9
105.07030	8.4
107.04955	5.5
107.08597	1.4
109.02884	8.6
109.06513	0.9
109.10178	1.1
111.04484	0.6
111.08137	0.4
115.03932	51.2
117.07011	0.8
119.04932	0.4
119.08575	1.2
120.05739	1.2
121.06506	47.2
121.10117	2.2
123.04447	0.4
123.08105	0.5
125.05956	0.3
125.09645	0.4
127.03915	26.7
129.07051	0.6
131.08583	1.3
133.04968	14.6
133.06546	1.1
133.10115	0.6
135.08072	4.0
135.11717	1.2
139.07532	0.8
139.11194	0.3
145.04959	23.9
145.10162	1.4
147.11696	0.8
149.09644	0.8
150.06750	2.5
151.07562	2.7
152.08311	1.3
153.09111	0.9
157.04973	0.6
163.06012	3.9
163.11253	1.6
165.09116	43.3
173.09593	0.6
175.11154	0.5
187.06104	0.4
193.12292	1.4
209.11627	0.5
215.10854	0.4
217.01433	0.3
227.12672	0.7
241.07027	1.7
243.08427	1.9
245.13837	0.4
249.11021	1.1
251.12529	0.7
259.08215	6.0
259.13287	100.0
267.12183	0.8
269.13644	0.8
271.13232	2.3
277.09171	13.9
301.14194	1.9
323.14493	0.4
325.11084	0.4
325.14526	1.3
337.14203	0.4
349.14395	1.0
367.15451	1.8
385.16541	0.5
394.92111	0.4
441.17456	1.3
443.18811	2.0
467.18912	5.0
469.20355	3.7
485.20245	1.8
487.21503	2.3
566.69818	0.4
669.30383	2.2
695.32538	1.3
713.33447	72.9
714.33942	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	713.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26540	0.3
51.47695	0.3
53.03954	0.5
55.01873	0.6
55.05513	0.9
57.03444	2.0
57.07082	0.4
59.05017	0.3
61.02922	3.1
67.05506	2.5
69.03430	3.2
69.07074	0.9
69.48010	0.9
69.48415	0.6
71.01354	0.6
71.05006	0.9
73.02914	3.2
79.05486	2.7
81.03421	3.6
81.07068	2.1
83.04987	0.7
83.08639	1.4
84.83271	0.3
85.02908	6.2
87.04482	1.0
91.03967	2.1
91.05483	2.7
93.07035	2.8
95.04960	1.7
95.08617	1.1
97.02897	4.0
97.06547	0.8
98.23441	0.7
99.04482	1.0
101.02399	1.5
105.07061	1.4
107.04988	1.1
107.08622	1.3
109.02893	0.9
109.06538	0.7
109.10165	1.2
111.04470	0.6
111.08118	0.7
112.77853	0.3
115.03960	1.4
119.08621	1.2
121.06519	2.9
121.10182	1.8
123.08098	0.5
124.25134	0.4
127.03149	0.3
127.03918	1.9
129.06996	0.7
131.08588	1.2
133.04988	0.5
133.06482	0.6
133.10152	0.9
135.08109	0.6
135.11728	0.9
139.11206	0.7
145.04945	1.6
145.10184	1.2
147.11717	0.7
149.09679	0.8
151.07608	0.4
153.12776	0.4
157.10196	1.0
163.11201	2.1
165.09097	2.2
173.11755	0.6
175.11333	0.5
181.12277	0.6
185.04189	0.5
193.12311	1.1
194.74176	0.3
197.69420	0.3
206.26630	0.3
225.11009	0.3
227.12900	0.5
229.14528	0.6
243.08415	2.0
243.10660	0.4
244.08345	0.3
249.10925	0.8
251.12695	1.0
259.13251	5.5
259.15613	0.5
267.12122	0.7
267.16104	0.7
268.16275	0.5
269.13577	0.5
277.09180	0.4
283.15707	0.4
285.17065	0.4
410.65500	0.4
422.26385	0.4
423.22156	0.4
443.18839	2.9
447.27411	0.6
448.27875	2.3
466.28699	0.6
467.18906	5.9
469.20456	3.7
485.20114	1.6
487.21399	2.7
551.28308	0.6
551.36420	0.4
641.30798	0.6
669.30908	1.3
695.32269	2.6
713.33405	100.0
714.33844	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	713.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97789	0.4
53.03945	0.5
53.84547	0.4
55.01858	0.5
55.05506	1.3
57.03435	1.4
61.02931	5.2
67.05504	3.9
69.03423	3.2
69.07079	0.8
70.78091	0.8
71.05000	1.1
73.02913	2.7
79.05495	2.9
81.03430	3.9
81.07063	3.5
83.04988	1.5
83.08636	1.6
85.02907	6.5
85.06567	0.4
91.03981	2.3
91.05487	2.9
93.07030	2.9
95.04977	2.4
95.08633	1.9
97.02885	3.5
97.06556	1.6
99.04469	0.9
101.02361	1.5
101.44432	0.4
105.07034	2.5
107.04978	0.6
107.08594	2.3
109.02881	1.2
109.06550	0.7
109.10155	3.2
111.04434	0.6
111.08094	0.9
115.03978	0.6
117.07024	0.5
119.08601	1.6
121.02955	0.5
121.10164	1.4
123.08205	0.5
124.82809	0.5
125.09667	0.6
127.03926	1.1
128.60411	0.4
129.05545	0.5
129.07057	0.7
131.08591	0.9
133.10139	1.0
135.11720	1.3
137.05992	0.5
145.04919	0.5
145.10144	1.1
147.11717	1.0
149.09688	0.9
150.97345	0.4
157.10136	0.8
161.50304	0.4
163.11234	1.6
173.09702	0.5
175.11234	0.8
181.12241	0.6
185.04247	0.8
186.81979	0.4
193.12265	1.5
195.10020	0.9
209.11882	0.5
211.13353	0.9
243.06140	0.6
243.08313	2.4
251.12657	1.3
252.29387	0.4
267.09122	0.5
267.15994	0.5
271.08237	0.4
281.73297	0.5
301.09119	0.7
307.15289	0.7
316.55920	0.4
371.16772	0.5
395.07550	0.5
408.25897	0.5
413.17770	3.3
423.20163	0.4
429.17554	1.1
439.19489	1.9
441.20572	0.5
447.31085	0.5
451.19540	0.7
453.21124	0.6
467.18851	3.2
469.20502	6.8
485.19727	2.8
487.21909	0.5
515.20636	1.2
551.27966	0.5
583.30780	2.8
611.30237	0.7
612.31396	1.6
623.30164	2.7
641.31372	14.3
642.31610	1.0
649.32135	0.5
651.33716	0.4
655.32904	0.5
667.32751	2.5
669.31238	0.7
685.34204	0.6
695.32495	3.8
713.32819	100.0
714.33093	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	713.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
57.03434	2.0
61.02932	5.6
61.47749	0.9
61.71302	1.0
67.05506	5.0
69.03436	3.2
69.07066	1.4
71.04990	1.4
71.45455	0.8
73.02928	4.1
79.05492	3.1
81.03395	4.9
81.07044	7.1
83.05018	1.3
83.08614	1.8
83.85048	0.8
85.02932	4.3
87.04491	0.8
91.03958	2.9
91.05491	3.6
93.07049	4.0
95.04981	2.3
95.08619	2.7
96.98727	0.9
97.02900	4.6
97.06536	1.5
99.04462	1.6
101.02375	1.7
105.07053	3.2
107.08602	2.6
109.10149	1.2
119.08562	2.2
121.10150	3.8
124.75432	0.9
127.03922	2.1
131.08578	1.2
133.10159	1.4
135.11732	1.3
138.89581	1.0
146.33275	1.0
147.11717	0.9
149.09581	1.0
149.13289	2.3
160.72482	0.9
193.12267	1.9
195.13815	0.8
235.12996	0.9
243.08501	2.7
283.15143	4.2
339.17917	1.0
447.30704	1.3
453.20969	10.9
465.15421	1.0
465.31842	2.0
467.18887	0.9
501.23135	11.2
641.30542	4.1
713.37897	100.0
714.36383	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	713.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05479	0.9
56.05011	1.3
57.03416	0.4
57.07057	0.7
57.72280	0.3
59.04989	0.7
67.05508	1.8
68.05001	0.4
69.03432	2.4
69.07066	0.6
69.99823	0.9
70.02927	0.6
70.06561	1.0
71.04990	2.5
79.05110	0.3
79.05489	3.8
80.04988	0.7
81.03406	1.3
81.07058	2.1
82.06552	1.4
83.04956	0.4
84.04504	17.8
84.08149	0.6
85.02907	1.5
85.04781	0.5
85.06512	0.9
91.05463	1.4
93.06532	0.4
93.07047	6.0
94.06506	0.9
95.04970	4.5
95.08591	1.2
96.04458	0.7
96.08077	0.6
97.02873	0.7
97.06503	0.7
97.08908	0.3
98.09653	0.6
99.04448	0.5
99.08084	0.6
100.07587	1.1
100.11214	0.6
102.05549	3.7
105.06997	0.9
107.04961	2.0
107.07926	0.4
107.08591	5.6
108.08100	0.8
109.02878	0.7
109.06478	0.9
109.10123	0.5
109.51996	0.3
110.06040	0.4
110.09690	4.8
112.11209	0.5
114.09170	0.4
115.03932	0.3
116.10747	2.1
117.06989	0.8
119.08532	0.8
120.08086	1.2
121.02864	0.3
121.06467	1.2
121.10149	3.2
122.09618	1.1
123.88802	0.3
124.11179	0.9
125.06007	0.7
127.03894	1.1
127.07596	1.4
128.10709	0.6
131.08524	0.7
134.09615	1.6
135.08057	13.3
135.11588	0.3
136.11208	1.3
137.02307	0.3
137.05885	0.5
137.09587	0.8
137.11948	0.6
138.09134	0.5
138.12730	0.7
139.07509	0.7
140.10684	2.7
142.12296	0.6
144.73907	0.3
145.10081	0.4
148.11150	0.9
149.12144	0.4
149.13255	3.5
150.09171	0.6
152.10674	0.7
154.08647	0.7
154.12265	1.6
160.11223	0.6
162.12775	3.3
163.03868	0.5
163.07541	0.8
164.10712	0.3
166.12250	1.2
167.14279	0.4
167.63641	0.3
168.10220	0.5
170.11697	0.6
177.12732	1.7
180.10138	0.6
182.11681	0.6
182.15437	0.3
188.14398	0.6
190.15945	0.4
191.14270	1.1
192.13638	0.3
194.11815	0.6
195.10162	1.9
204.13802	0.5
204.17407	0.3
208.16962	0.4
214.15942	0.4
220.13225	0.4
220.16963	1.3
222.15009	0.3
232.17003	1.4
234.14880	0.5
236.16434	6.1
250.18027	5.2
252.15837	0.3
260.16504	0.9
268.19009	0.6
275.12741	0.5
276.19641	1.9
278.17499	4.8
284.13043	0.3
292.18991	1.4
294.20633	93.0
295.20941	4.0
303.04962	8.3
304.05313	0.8
310.20114	100.0
311.20490	4.2
325.10651	0.4
341.06653	0.4
342.06726	0.6
392.24139	1.0
393.24661	1.0
394.25006	0.6
404.20673	28.7
405.21249	1.3
420.20047	1.7
465.10425	1.6
713.28937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.0
55.05515	5.4
57.07075	0.8
60.04527	33.9
60.55022	0.5
67.05499	2.6
68.05025	1.9
69.07069	8.1
70.02963	1.3
71.12641	0.5
72.04514	1.1
79.05495	2.3
81.07065	3.2
82.06588	0.6
83.04989	1.2
83.08632	3.4
84.04520	1.2
86.09708	100.0
87.05580	0.5
87.10055	1.4
88.03998	3.4
91.05495	1.3
93.07043	2.2
95.08614	1.7
96.04489	5.0
96.08070	0.5
97.06548	1.3
97.10171	3.7
98.09679	0.5
105.07034	1.1
106.05025	6.5
107.08607	1.5
110.06065	0.7
110.09675	1.4
111.08091	0.9
116.03442	1.2
118.04964	1.1
124.03951	0.8
125.09625	14.2
127.12321	0.9
128.10753	3.7
131.04506	0.5
132.10201	10.4
134.09697	1.1
135.11665	2.7
142.05011	1.2
142.12306	1.6
153.12749	10.3
154.15923	1.7
155.11823	2.4
156.10178	0.8
162.12729	1.0
163.13574	0.8
164.14391	1.4
168.17500	0.6
170.15381	1.1
173.12837	2.7
174.11241	5.0
182.11778	0.6
194.15375	3.5
197.12798	0.7
199.10818	1.6
200.16522	1.6
201.12376	3.7
210.18527	12.6
212.16446	8.9
219.13460	2.4
220.44240	0.6
222.14859	5.9
228.19582	6.5
230.17540	1.4
238.18071	7.3
240.15939	21.4
241.19217	0.6
256.19135	4.6
258.16956	2.5
276.18027	0.8
307.23798	1.9
308.18460	0.7
309.18213	0.6
325.21249	3.7
327.19119	2.4
335.23468	0.9
341.27914	4.7
343.22269	2.9
345.20221	7.3
353.24442	4.6
361.23419	1.4
369.27457	2.7
371.25510	1.6
387.28641	0.8
410.30322	0.5
412.28088	0.7
428.31369	0.7
432.20218	1.5
433.20538	0.9
434.21643	4.3
440.27451	2.7
456.30463	3.2
458.28732	6.6
474.31741	37.7
475.32220	1.8
476.29694	48.2
477.29904	2.8
546.35931	0.5
582.37683	0.6
600.38953	0.5
677.45160	1.0
685.47083	3.3
695.45935	7.0
713.46411	3.4
714.45776	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	714.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
53.04150	0.2
54.07640	0.2
55.01875	1.5
55.05493	0.2
57.03435	2.8
58.72885	0.2
59.04991	0.2
61.02926	4.6
67.05499	0.4
69.03432	15.0
69.30821	0.4
69.31226	0.8
71.01318	0.2
71.05000	1.6
73.02547	0.2
73.02917	3.8
77.03944	0.6
79.05492	1.7
81.03417	9.2
81.03899	0.5
83.01340	0.3
85.02906	45.2
86.03236	0.3
87.04469	12.2
91.03959	3.0
91.05484	2.9
93.07045	4.7
94.07336	0.2
95.04958	0.8
96.36931	0.2
97.02893	16.7
98.22616	0.4
99.04448	3.0
101.02359	0.6
103.03956	0.7
103.05462	3.8
105.04546	0.3
105.07035	5.9
107.04955	3.9
107.08569	0.3
109.02176	0.5
109.02882	6.8
109.03629	0.3
115.03933	43.4
116.04281	0.3
117.07086	0.3
120.05747	1.0
121.06507	38.8
122.06815	0.7
127.03915	21.8
128.04326	0.2
133.04970	15.6
133.06506	0.5
135.08066	2.7
139.07539	0.9
141.04442	0.2
145.04965	23.9
146.05400	0.2
149.05951	0.3
150.06729	2.0
151.07544	2.2
152.08284	1.3
153.09090	1.1
157.04971	0.7
161.72673	0.2
163.06017	4.7
163.11163	0.3
164.13034	0.2
165.09119	34.6
166.09491	0.9
175.06053	0.3
177.09236	0.2
187.06018	0.6
189.09052	0.4
205.07150	0.3
207.10100	0.3
220.85947	0.2
241.07014	2.3
259.08203	5.3
259.13287	100.0
260.08841	0.2
260.13623	4.1
271.13354	1.5
277.09183	13.2
278.09439	0.4
283.13425	0.3
301.14297	2.0
325.14395	1.3
327.34158	0.3
349.14456	0.9
367.15311	1.7
372.43100	0.2
385.16696	0.3
420.99036	0.2
468.19440	0.3
469.20087	0.3
470.21051	0.2
488.72678	0.2
713.33051	0.6
714.33777	8.3
715.34308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01870	1.2
57.03429	0.8
61.02917	1.1
62.97443	0.3
68.05474	0.4
68.87157	0.3
68.99789	0.4
69.03431	4.7
70.06602	2.0
71.04993	0.8
72.70502	0.3
73.02920	1.0
79.05501	3.2
81.03419	3.6
85.02908	12.2
87.00828	3.8
91.05500	1.1
93.07098	0.4
95.04961	0.6
97.02882	4.8
98.06083	0.4
99.04428	1.7
103.05475	1.9
105.01879	3.6
105.07030	16.0
107.08588	0.4
109.02879	4.5
117.01809	0.4
119.04915	0.4
120.05700	1.6
121.06519	0.7
127.03928	8.3
129.01813	0.4
131.08321	0.4
132.84010	0.3
135.08055	100.0
136.08339	2.0
137.06007	0.9
145.04974	4.8
147.08060	0.7
151.07506	0.5
158.07317	0.5
159.02888	2.7
162.06676	0.5
163.07565	0.4
177.09128	2.2
179.10670	3.1
180.08638	0.8
231.05025	2.1
243.10173	0.6
249.05873	0.7
252.75743	0.4
276.19647	0.5
285.14987	0.9
287.16415	53.2
288.16840	1.9
310.17783	0.4
318.17319	0.5
325.95612	0.4
329.17404	2.3
372.21988	0.4
377.17471	1.0
395.18564	1.5
439.80615	0.4
517.20972	0.4
535.21558	0.4
617.09558	0.4
714.35120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05508	2.1
55.05732	0.4
56.05026	0.7
58.06573	0.3
65.03957	0.4
67.05508	2.5
68.05022	0.8
69.03427	5.0
69.07041	0.6
69.21435	0.8
69.21863	1.1
70.06596	6.9
71.04994	3.2
79.05486	2.7
80.05019	6.2
81.07058	2.6
82.06567	1.2
83.00871	0.5
83.01339	7.2
83.04967	0.8
83.07337	0.5
84.07672	0.5
84.08145	6.8
91.05475	2.5
93.07036	2.5
94.06069	0.5
94.06570	4.6
95.04961	1.3
95.07343	0.4
95.08623	3.4
96.08127	5.3
97.06527	0.7
97.08923	0.5
98.23407	0.8
99.04463	3.0
100.07604	0.3
103.05439	0.4
104.07068	0.3
105.04508	0.4
105.07033	2.4
105.86536	0.3
106.06570	0.6
107.04926	0.4
107.08569	1.3
108.08121	1.8
109.06521	0.5
109.08883	1.0
109.10130	0.5
110.09676	1.8
111.08086	11.6
112.07580	0.6
115.03944	3.7
116.84924	0.3
117.07003	0.4
119.08541	1.5
120.08082	1.7
121.06493	0.6
121.08835	0.6
121.10160	0.8
122.09664	9.0
123.08083	1.1
123.10493	0.3
124.07571	0.6
124.11205	2.2
125.05975	1.3
125.09619	1.4
127.03910	4.3
128.07062	0.5
131.08527	0.9
132.08058	0.7
133.06427	0.5
133.10110	0.4
134.09659	3.0
135.08075	1.0
135.10461	0.6
136.11211	7.5
137.05981	0.7
137.09546	0.4
138.12807	0.5
139.07515	0.4
142.08641	0.6
143.03398	3.0
143.08571	0.5
145.10127	0.9
146.09619	0.6
147.20386	0.3
148.11192	1.3
149.06078	0.5
149.09613	0.4
149.12018	0.5
150.09149	7.7
150.12663	0.4
151.07521	0.5
152.10721	5.1
153.05463	0.5
154.12265	1.8
155.07033	1.0
160.11168	1.9
161.09602	0.8
162.09109	0.8
162.12776	6.5
163.11316	0.3
163.13448	0.6
164.10747	0.9
164.14355	49.2
165.09129	0.5
165.14705	1.1
166.08722	0.5
167.07057	0.5
168.10191	5.4
170.11844	0.4
173.09685	0.4
174.12805	0.8
176.10765	0.4
176.14308	2.5
177.08977	0.4
179.07074	0.5
180.10205	1.0
180.13914	0.3
182.11769	39.3
183.06470	0.6
183.12122	1.4
184.13390	0.7
188.14334	0.5
189.09094	0.5
190.12289	0.6
190.15880	4.3
192.13876	0.8
194.11710	0.5
197.08005	0.5
198.11237	0.4
206.11775	0.4
206.15442	1.1
208.13333	1.0
210.14854	0.3
216.13803	0.7
218.15407	4.3
220.13338	0.9
222.14856	0.6
234.14899	8.6
235.15421	0.6
236.16429	7.4
246.18697	0.4
247.09735	1.0
260.16476	1.1
262.18152	1.8
264.19504	1.7
274.18057	0.5
280.19144	1.8
290.17566	0.4
292.19070	13.0
293.19266	0.5
308.18558	24.4
309.18924	1.0
330.20673	0.6
336.18042	0.6
360.18051	2.8
374.19412	0.4
390.22849	1.6
402.19156	0.5
406.22162	1.6
416.20782	0.6
434.21741	100.0
435.22064	6.4
642.76971	0.3
714.45721	94.3
715.46063	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	714.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08805	0.3
55.01818	0.9
55.05466	0.8
57.03383	0.3
58.06557	0.6
61.14414	0.4
64.58553	0.3
65.03875	0.3
67.05501	2.7
68.04987	0.7
69.03427	5.0
69.07006	0.5
69.15322	0.3
69.20585	1.5
69.20982	0.6
70.06523	3.9
71.04990	3.5
71.08565	0.4
79.05498	1.8
79.95972	0.3
80.05008	2.3
81.03377	0.4
81.07059	2.5
82.06528	0.8
83.01345	2.5
83.04918	0.5
83.07304	0.4
84.08141	2.7
85.06494	0.4
88.07574	0.6
91.05470	1.7
93.07021	2.0
94.06563	2.1
95.04920	0.7
95.08607	1.8
96.08135	2.2
97.06487	0.5
97.08894	0.6
98.06034	0.4
98.23417	0.7
99.04387	1.5
99.30575	0.3
105.07024	2.1
107.08510	1.1
108.08038	1.0
109.06460	0.6
109.08862	0.5
109.10097	0.6
110.05985	0.3
110.09695	1.6
111.08078	12.8
112.07594	0.5
112.08372	0.4
115.03919	2.1
117.06973	0.3
119.08474	1.1
120.08065	0.7
121.06425	0.9
121.08785	0.4
121.10117	0.5
122.09665	4.4
123.08015	0.5
124.07547	0.6
124.11149	1.1
125.05974	0.6
127.03925	1.6
131.08524	0.7
132.08012	0.4
133.10129	0.5
134.09653	1.7
136.11198	3.4
137.05882	0.7
138.09123	0.4
139.07433	0.5
140.10619	0.6
143.03427	0.6
145.10117	0.4
148.11125	1.3
149.02267	0.5
149.05898	0.7
150.09132	4.6
151.29213	0.3
152.10733	2.0
155.06956	0.7
160.11180	0.6
161.09596	0.5
161.11856	0.3
162.09085	0.5
162.12790	3.7
164.10638	0.5
164.14351	13.5
165.09035	0.3
165.14580	0.6
167.06993	0.4
168.09024	0.3
168.10207	3.9
170.11736	0.5
174.12779	0.4
176.14275	1.0
177.08986	0.6
177.14981	0.4
180.10123	0.7
180.13750	0.5
182.11760	14.8
183.06409	0.4
184.13254	0.6
187.07581	0.5
188.10718	0.3
188.14276	0.5
189.09053	0.6
190.12254	0.5
190.15875	2.1
193.04890	0.4
194.82385	0.3
198.11179	0.5
202.11852	0.3
206.15343	1.2
208.13264	1.4
210.14847	0.3
218.15396	1.5
220.13278	0.4
221.11620	0.3
232.13397	0.4
234.14890	7.1
235.15361	0.7
236.16454	5.6
247.09560	1.0
248.16472	0.5
260.16568	0.5
262.17938	1.0
264.19565	1.0
277.21359	0.4
278.17538	0.3
280.19009	1.4
290.17416	0.4
292.19080	4.8
293.21216	0.6
308.18546	23.8
309.18732	0.9
312.32553	0.5
314.79260	0.4
334.16351	0.5
336.17972	1.3
360.17996	3.5
367.24341	0.7
390.22858	0.4
406.22305	1.0
416.20877	0.5
434.21725	54.6
435.22165	3.5
452.22760	8.5
452.28995	0.4
521.35016	0.4
679.29419	0.9
714.45691	100.0
715.46008	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	714.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42233	3.2
55.05510	21.4
57.03443	19.4
62.82153	3.2
65.03953	6.1
67.05506	76.6
69.07080	32.4
71.04994	6.8
79.05499	50.4
81.03429	3.6
81.07057	100.0
83.04960	4.2
83.08622	8.8
85.06538	7.4
86.09710	4.4
91.05481	36.6
93.07045	56.6
94.15569	3.3
95.04962	6.3
95.08610	62.8
97.06535	9.6
101.80934	4.2
102.66363	3.1
105.07033	48.5
107.08602	28.2
109.10152	22.8
111.08066	3.1
115.81734	4.3
117.07036	8.9
119.08581	36.7
121.10148	29.9
123.08109	4.1
123.11715	9.2
124.99979	3.7
129.07056	4.4
131.08543	23.4
133.10121	25.8
135.11703	9.9
139.11148	4.9
143.08510	8.3
145.10115	27.4
147.11696	25.6
149.02371	3.4
149.13277	9.0
157.10109	7.6
159.11659	18.1
161.13251	8.7
165.12758	12.6
171.11679	8.4
173.13300	13.3
175.14825	5.5
184.07358	10.1
185.13206	4.8
187.07605	3.4
187.14766	5.2
188.60046	4.0
203.07036	4.2
203.14360	3.4
205.08598	4.8
219.06631	4.1
221.08113	9.2
228.42406	3.7
239.16441	18.9
241.17976	6.0
251.84242	3.1
259.20557	4.7
259.97012	3.0
261.22223	4.3
262.25339	3.7
287.23740	4.5
301.25229	4.0
335.25815	35.3
391.28781	3.6
406.05640	3.3
407.33301	7.1
425.34201	15.6
443.35214	6.9
499.38135	27.5
500.38373	4.1
517.38940	82.3
518.39294	7.3
714.41882	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	714.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.4
55.11409	2.3
57.03437	17.7
60.08176	3.1
61.02926	3.1
65.03947	3.9
67.05156	4.6
67.05505	63.0
69.07070	23.7
69.84942	6.7
71.05000	7.5
71.07382	3.2
71.34314	2.1
71.80652	2.6
75.71577	2.1
76.43764	2.0
79.05494	47.4
81.03413	2.8
81.06580	4.9
81.07058	95.5
83.04987	2.9
83.08611	11.3
85.02909	4.4
85.06532	3.5
86.09699	22.5
91.05482	34.9
93.07049	49.0
95.04980	8.4
95.08608	59.7
97.06522	6.7
97.10208	5.7
97.93321	2.2
98.22701	3.5
99.08084	2.2
105.07032	44.4
107.08596	33.1
109.06519	3.3
109.10164	25.3
111.08076	3.7
117.07031	10.7
119.08585	34.4
121.10139	32.3
123.11727	10.0
125.00014	8.9
125.09648	3.6
129.07053	8.7
131.08574	21.5
133.10138	22.2
135.11694	15.8
137.09581	3.0
137.13187	3.7
143.08588	5.3
145.10132	19.2
147.11690	32.4
149.13268	15.3
157.10144	6.5
159.11731	16.5
161.13264	9.5
163.11206	4.1
163.14798	5.5
165.12729	11.4
171.11713	10.8
173.13191	15.1
175.14825	6.6
177.12790	2.4
183.11775	3.4
184.07350	59.5
185.13306	5.5
187.14859	4.8
189.16225	2.9
199.14853	4.8
201.16512	2.8
203.07037	7.6
205.08537	2.3
213.16489	5.7
219.06557	5.5
221.08109	21.4
229.14371	7.1
237.97963	2.7
239.16411	28.2
241.17964	5.7
247.59517	2.9
259.20572	6.4
261.22253	5.7
262.25372	3.4
313.25269	3.4
317.24823	2.6
327.26999	2.4
333.24313	4.0
335.22159	4.0
335.25833	41.7
342.10590	2.5
405.30191	4.0
407.33124	7.3
425.34311	16.0
443.35178	7.7
489.35629	4.4
499.37906	32.3
517.38885	100.0
518.39105	6.4
543.00690	2.6
568.66766	2.9
584.37866	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06787	1.6
55.05525	3.0
56.05046	3.7
57.07071	3.0
58.06600	2.3
60.04532	2.0
67.05511	9.4
69.07058	7.4
70.06629	1.9
75.07772	1.3
79.05494	10.2
80.05022	2.7
81.05774	1.4
81.07052	9.9
82.06587	6.8
82.66205	1.5
83.08624	3.5
85.02906	1.9
91.05491	6.4
93.07053	9.0
94.06576	15.4
95.07374	6.5
95.08614	8.1
96.08148	4.6
97.10190	1.9
105.07037	5.8
107.08614	6.0
108.08147	2.9
109.10162	1.9
118.71951	1.3
119.08591	6.3
121.10147	5.2
122.09696	2.6
127.03953	1.5
133.10126	3.5
135.11688	5.0
166.82861	1.7
168.86929	1.3
207.46222	1.4
233.22771	2.7
245.22797	3.4
250.25261	8.3
262.25305	100.0
263.25760	4.7
280.26260	6.3
504.47794	2.6
516.47784	15.4
518.49011	2.9
534.48804	9.4
696.53662	4.7
726.47327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.08458	0.5
54.84538	0.5
55.01888	0.8
55.05514	7.7
55.17892	0.5
56.05044	4.2
56.35971	0.5
57.07080	3.5
58.06600	1.0
60.04521	2.3
60.55381	0.5
65.03937	0.9
67.05165	0.8
67.05510	15.8
68.05023	1.3
68.98010	0.6
69.03430	1.0
69.07073	9.4
70.06599	2.5
71.08617	2.0
75.52934	0.6
77.08691	0.5
79.05505	12.1
80.05026	2.8
80.05836	0.6
81.03409	1.0
81.05788	2.3
81.07061	12.2
82.06586	7.7
83.08625	4.7
85.02922	2.4
85.10181	0.9
91.05485	9.1
93.05807	0.8
93.07049	10.8
94.06570	22.6
95.04969	1.9
95.06799	0.8
95.07358	10.9
95.08609	9.4
96.08134	6.1
97.02905	1.3
97.10183	3.1
101.00664	0.7
105.04478	1.0
105.07038	6.6
107.07343	0.7
107.08605	5.7
108.08128	3.8
109.10172	3.5
111.11719	1.0
119.08607	6.3
121.08904	0.7
121.10149	6.4
122.09674	2.7
122.73907	0.5
123.11758	1.2
124.11246	1.1
133.10126	3.5
135.10634	0.8
135.11694	2.8
136.11246	1.3
145.04881	0.7
147.11693	1.7
149.13222	1.2
151.14694	0.6
161.13316	1.1
163.14900	0.6
194.12370	0.5
219.21097	0.7
233.22781	2.6
245.22687	2.8
250.25322	7.9
254.24818	1.0
262.25311	100.0
263.25873	3.0
264.26700	0.5
272.25781	4.1
280.26370	7.5
312.25366	0.8
333.13583	0.5
504.47852	4.6
516.47766	27.9
517.48035	1.4
518.49365	4.1
534.48877	15.8
535.49109	1.0
696.54041	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	715.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.05500	0.5
56.05028	0.7
60.04519	2.2
66.53601	0.2
68.05022	0.6
69.03423	0.6
69.52211	0.6
69.52589	0.4
70.06593	1.4
71.01325	0.4
80.05017	5.0
81.03413	3.0
84.04501	28.3
85.02922	0.7
85.04848	0.3
96.04495	3.4
97.02892	0.4
98.06052	14.6
98.23479	0.5
103.03932	1.0
108.04474	23.1
109.02872	8.6
109.04841	0.4
122.06055	0.4
124.03956	2.6
126.05509	100.0
127.03941	1.3
127.05845	1.0
130.06528	2.9
138.05498	10.4
140.07056	1.0
144.06541	1.9
150.05516	2.0
168.06557	45.1
169.06929	0.9
186.07587	3.7
190.11934	0.2
204.08609	0.6
210.07649	2.5
228.08652	17.8
229.09001	0.6
246.09714	68.9
247.09984	1.6
325.45441	0.3
377.57498	0.3
378.14023	0.3
458.85773	0.2
748.12262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3281
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
61.02922	0.5
67.05505	0.4
69.03453	0.4
69.07082	0.3
70.49367	0.6
73.02908	0.4
79.05507	0.6
81.03409	0.4
81.07039	0.7
81.39519	0.3
84.19757	0.3
85.02897	0.7
91.05493	0.5
93.07055	0.5
95.04948	0.3
95.08636	0.5
103.23416	0.3
109.10152	0.5
117.11131	0.3
121.02873	0.5
121.10091	0.4
204.56233	0.3
267.09061	0.6
269.11523	0.3
272.10617	0.3
339.12265	0.4
365.10751	0.4
367.11487	0.4
449.31516	0.4
469.20367	0.6
485.17319	0.5
553.29877	3.8
625.31842	1.3
643.32129	0.6
697.34393	0.8
715.33380	100.0
716.33533	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	715.3303
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
58.91327	0.8
67.04044	0.7
69.73730	1.5
69.74093	1.5
73.62721	0.8
75.45375	0.7
92.05000	0.7
95.85323	0.6
98.22817	1.5
104.10753	2.0
110.72986	0.8
111.51965	0.8
136.25275	0.8
142.17725	0.7
170.99706	0.7
242.21767	0.7
259.90356	0.8
275.10977	0.8
295.98462	0.8
323.91528	0.7
384.15506	0.8
447.33801	0.8
599.49805	0.8
715.32990	100.0
716.33228	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	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05508	1.0
56.32237	0.3
57.03438	1.7
61.02925	3.7
64.37515	0.4
67.05502	1.4
69.03432	2.1
69.07063	1.1
70.18122	0.7
71.04996	1.0
73.02929	2.4
76.12050	0.3
79.05503	2.0
81.03423	4.5
81.07049	2.4
82.77016	0.4
83.04993	1.0
83.08617	1.2
85.02905	3.8
86.09696	0.4
91.03958	2.5
91.05495	3.2
93.07065	2.2
95.04972	1.7
95.08596	0.7
97.02894	3.0
97.06534	0.7
99.04448	0.7
99.50252	0.4
101.02375	1.1
102.15528	0.4
105.07053	1.7
107.04932	0.4
107.08612	0.7
109.02885	1.0
109.10180	0.5
111.04450	0.4
111.08104	1.0
111.88546	0.3
115.03936	0.4
117.91736	0.4
119.08578	1.3
121.10122	2.0
125.04559	0.3
127.03935	1.7
129.06992	1.3
131.08577	1.0
133.10126	1.5
139.11215	0.8
139.64676	0.4
147.11699	1.2
149.09607	1.7
157.10110	1.1
165.06657	0.6
172.06306	0.7
175.11171	1.2
185.04295	0.5
193.12192	2.3
211.13264	0.6
215.14354	0.4
219.08046	1.0
220.07584	10.5
221.08195	0.5
225.10918	0.4
243.08437	2.2
246.09116	2.8
251.12695	2.0
262.08405	0.5
264.10226	3.9
267.15878	0.8
269.13611	1.6
274.08557	0.7
281.13953	0.4
292.09662	0.8
307.15231	0.7
325.16028	0.5
349.11765	1.4
365.28995	0.4
443.18793	5.5
466.05670	0.4
469.20499	11.4
470.20676	0.4
487.21597	5.0
553.29370	0.6
568.25269	0.8
612.24347	0.5
640.24146	0.5
671.32825	2.9
697.34619	1.8
715.35529	100.0
716.36139	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	715.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
54.43559	0.3
54.51680	0.3
55.01879	0.3
55.05510	0.7
57.03437	1.4
59.04982	0.3
61.02928	3.2
63.72182	0.3
66.41145	0.3
67.05509	2.3
69.03432	2.5
69.07086	0.6
69.62520	0.4
69.62859	0.9
71.01364	0.4
71.05008	1.1
73.02924	3.0
76.75729	0.3
79.05498	2.0
81.03426	3.0
81.07062	2.9
83.05019	0.9
83.08645	0.8
85.02902	3.9
87.04499	0.5
91.03958	2.4
91.05473	2.7
93.07058	1.9
95.05004	1.5
95.08632	0.8
97.02909	2.7
97.06543	0.7
99.04446	0.7
101.02406	1.5
103.03967	0.4
105.07036	2.2
107.04897	0.3
107.08614	1.9
109.02888	0.4
109.06504	0.5
109.10165	2.2
111.31857	0.3
115.03966	0.5
119.08625	1.0
121.10164	0.9
123.11706	0.6
127.03938	1.0
129.07014	0.8
131.08638	1.0
133.10120	4.1
147.08008	0.3
147.11740	1.2
149.09689	1.1
149.24202	0.3
151.11165	2.1
157.10136	0.7
162.21193	0.3
169.12357	0.4
175.11235	0.9
185.04311	0.7
193.12254	1.9
197.15442	0.3
203.05342	0.7
211.13332	0.4
225.14900	0.5
237.10968	2.0
243.08363	1.5
253.14432	0.6
267.16034	1.0
271.15533	0.3
283.15253	1.9
293.13641	0.5
339.17798	0.6
451.19617	1.7
455.18857	11.0
469.20810	1.4
471.22183	0.5
501.23102	7.0
503.26364	0.4
517.92126	0.3
553.29956	0.6
665.31372	4.7
697.34161	3.0
715.35022	100.0
716.35492	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	715.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49395	0.3
54.68097	0.3
56.14914	0.4
57.03432	0.4
61.02921	0.6
67.05514	1.0
69.03419	0.4
69.42665	1.5
71.50553	0.4
73.02961	0.3
79.05482	0.6
81.07069	0.9
84.01926	0.6
85.02879	0.4
91.05513	0.6
93.07059	0.8
95.08608	0.4
97.02887	0.7
97.06525	0.4
98.23407	0.7
105.07011	0.4
109.10180	0.5
156.03894	0.5
157.04776	0.4
172.16901	0.4
185.04202	1.7
201.03754	1.7
203.05344	1.6
257.06451	0.8
258.07260	0.6
259.07999	1.5
286.73550	0.3
317.08600	1.0
319.10107	1.1
331.10031	2.2
347.09500	3.2
363.09100	1.6
365.10593	3.3
365.58969	0.4
373.15063	0.6
391.24475	0.8
401.18042	0.5
413.17584	0.5
415.19656	0.5
421.13055	2.1
437.12747	0.8
453.20868	0.4
455.22513	0.5
463.13834	0.3
483.22043	2.0
493.15244	2.9
502.65173	0.4
507.17355	0.5
521.18402	0.7
535.20050	0.7
553.29828	11.4
555.66418	0.4
563.23492	1.0
577.24786	1.1
585.31842	0.4
614.32422	0.5
617.28015	0.6
625.31909	3.9
626.31580	0.4
645.27692	1.0
671.34210	0.4
697.34344	1.1
715.34802	100.0
716.35132	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	716.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63543	0.3
53.03947	1.0
55.01857	1.8
57.03423	1.2
61.02926	1.5
67.05504	0.8
68.99783	1.7
69.03426	5.5
69.52286	1.3
71.01329	0.4
71.04987	0.5
71.86186	0.3
73.02915	0.9
77.03932	0.3
79.05489	2.9
81.03412	3.9
81.07045	0.6
83.01340	1.1
85.02900	11.0
87.00823	4.2
91.05463	3.0
92.05793	0.4
93.07026	0.7
95.04942	1.2
95.08601	3.6
95.27038	0.4
97.02884	3.8
99.04469	1.6
103.03963	0.5
103.05444	1.9
105.01842	2.9
105.07022	9.5
107.04964	0.9
108.05720	0.9
109.02875	2.7
109.06492	1.0
111.04405	0.4
117.01848	0.6
117.07057	0.4
119.04949	0.9
119.08553	1.5
120.05695	0.7
121.06490	4.9
123.04461	0.5
123.08061	7.0
125.05994	0.4
127.03030	0.4
127.03918	5.6
128.06218	0.5
129.01825	1.6
129.06924	0.4
132.05685	0.6
133.06488	5.7
135.04414	3.2
135.08060	3.1
137.05957	4.4
137.09583	0.3
139.07561	1.5
145.04973	2.9
145.06476	1.1
147.02859	1.4
147.07004	0.4
147.08044	3.9
149.06000	0.6
150.06752	41.4
151.07535	100.0
152.07867	2.0
153.09134	0.8
159.02904	1.7
159.07964	0.5
161.06003	2.0
161.09612	0.7
163.07529	0.5
165.09106	48.6
166.09435	1.3
171.08015	1.0
174.06801	0.7
175.07535	17.9
175.83469	0.3
176.07928	0.7
177.12852	0.4
185.65521	0.3
187.07524	1.4
188.08336	1.3
189.09033	1.5
193.08609	0.5
197.09657	0.6
199.07550	1.1
201.09132	0.5
203.07028	2.2
211.11130	0.3
213.09084	1.1
215.06905	0.4
217.08594	6.3
224.08389	0.4
225.09067	1.1
231.04987	1.1
231.10088	0.4
239.10617	0.4
241.08585	2.8
242.09349	0.9
248.53630	0.3
249.06029	0.4
253.08682	0.3
257.11728	4.0
259.09601	1.7
267.10016	0.4
267.65933	0.3
268.10934	0.5
271.13177	1.1
281.11810	0.4
282.19882	0.4
283.13263	11.1
284.13757	0.6
289.14316	46.4
290.14667	1.8
293.11478	0.4
295.09604	0.4
295.13202	0.6
299.12781	2.7
301.14395	0.3
305.11578	0.4
309.14612	0.5
310.11832	1.3
311.12628	1.4
313.14313	26.8
314.14606	0.8
319.13309	0.5
323.12817	1.5
325.14313	2.3
331.15320	3.5
337.14346	1.8
347.12363	0.7
351.15884	0.6
353.13757	0.4
355.15387	38.4
356.15613	1.9
361.13773	0.4
379.15359	13.8
380.15930	0.9
397.16400	10.2
398.16989	0.4
415.17264	0.6
418.22214	0.9
450.21161	0.5
465.15445	0.4
483.16272	2.4
501.17511	4.2
536.28479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11774	0.6
61.04136	0.7
69.20383	0.7
69.82967	0.7
70.06585	1.9
71.95309	0.6
71.98454	0.8
81.03422	4.4
81.07043	1.0
81.85889	0.6
81.86379	0.6
85.02924	1.5
91.05508	1.4
94.04167	1.5
97.02859	0.6
103.05469	2.3
105.07027	1.2
109.06506	0.8
115.05449	1.2
116.91517	0.7
117.07043	1.1
119.04942	1.2
122.03635	4.7
123.04426	0.7
125.06018	0.7
129.07059	1.8
131.04889	5.4
134.44160	0.7
137.05983	100.0
138.06351	1.4
143.04932	2.1
144.05699	0.8
145.06462	1.6
151.03941	4.2
151.07538	4.1
153.05556	0.7
157.06503	2.5
159.08128	0.9
160.05231	2.3
161.05983	2.2
162.12744	0.7
163.07545	9.6
174.06712	0.8
175.07549	19.4
177.09134	3.5
187.07567	6.9
189.09079	3.8
192.29669	0.8
199.07581	4.2
205.08618	10.2
211.07553	1.5
213.09152	1.3
217.08644	2.1
225.09158	0.9
231.08076	1.3
235.09676	5.3
236.16330	0.7
245.11743	0.9
253.08507	1.0
263.10776	1.5
265.08487	1.2
285.11292	2.2
289.08707	0.8
291.10162	1.9
297.11172	0.7
299.12872	1.7
303.10034	1.5
315.10196	1.1
321.11212	0.9
323.12622	3.2
335.12738	4.1
347.12827	1.8
348.21619	1.8
349.14447	1.9
353.13913	1.6
365.13834	2.1
374.94070	0.8
383.14847	1.9
397.16449	1.6
459.18015	1.5
471.18228	1.4
489.19174	4.1
491.58905	0.8
501.18829	1.0
503.20609	2.2
507.20090	2.4
510.26804	1.3
519.19714	2.1
526.32617	0.8
595.10461	0.8
716.36426	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	716.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01893	1.3
55.05515	12.4
57.03442	7.3
57.07080	5.4
57.18233	0.9
59.83308	0.9
60.45046	0.9
61.02919	1.2
63.35756	0.9
67.05506	19.8
69.03414	1.4
69.07069	18.6
71.04996	1.3
71.08633	2.1
77.48894	0.9
79.05497	16.5
81.03404	1.4
81.07052	22.2
81.07509	1.7
83.04960	1.3
83.08624	15.1
85.10206	1.5
89.06061	1.5
91.05495	5.4
93.07047	21.9
93.34931	0.8
95.04976	4.7
95.08605	28.7
95.09212	1.5
97.02898	3.7
97.06535	3.6
97.10167	7.9
99.04452	3.4
105.07027	1.8
107.04967	4.1
107.08590	19.8
107.09263	1.6
109.06551	1.0
109.10152	5.5
111.04441	1.0
111.08072	1.5
111.11702	2.1
117.07009	4.6
119.07870	0.9
119.08585	5.4
121.06528	3.6
121.10144	16.3
123.11719	1.8
125.06005	2.1
130.33226	0.8
133.08597	1.2
133.10159	1.7
135.08105	2.0
135.11693	39.2
137.13246	1.7
139.07526	1.4
145.10127	16.9
149.13245	2.6
160.98094	0.9
163.11180	42.9
163.21980	0.9
164.11568	1.3
181.12245	8.0
184.07327	4.3
187.07559	1.6
227.12769	48.5
237.22168	1.5
283.15399	89.7
284.15768	3.3
311.25793	91.7
312.26190	3.7
519.36816	100.0
520.37018	7.0
716.42761	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	716.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15876	0.6
51.33307	0.5
55.01838	1.4
55.05463	1.2
56.05011	0.7
59.08081	0.6
61.40165	0.6
65.03898	0.7
67.05438	2.7
67.37842	0.6
68.04988	0.8
69.03361	3.9
70.06586	5.8
71.04930	2.2
74.79604	0.6
75.53913	0.7
75.98477	0.6
79.05431	2.7
80.05015	4.4
81.06987	2.9
82.06522	1.4
83.01339	6.5
84.08131	4.5
91.05408	1.9
93.06963	2.4
94.06548	3.2
95.04916	1.4
95.08611	3.3
96.08109	3.9
97.10129	0.9
99.04368	2.5
105.06931	2.8
107.08514	1.2
108.08060	1.3
108.18147	0.6
110.09612	1.7
111.08070	9.6
115.03903	4.1
117.06990	0.6
119.08555	1.3
120.08053	1.3
122.09673	8.7
124.11129	2.7
125.05917	1.3
125.09531	1.0
127.03889	3.2
127.63123	0.6
130.76219	0.7
134.09578	1.9
135.08018	0.9
136.11189	5.9
138.12701	0.7
143.03304	2.3
145.10027	0.9
148.11133	1.3
150.09151	6.8
150.39088	0.6
152.10733	4.3
154.12173	1.8
160.11165	1.3
162.12766	5.3
163.50046	0.6
164.14357	43.0
165.12590	0.7
165.14612	1.7
166.08742	0.7
168.10193	4.5
176.14258	2.7
182.11766	29.9
183.12016	1.3
184.13225	1.1
189.08920	0.7
190.15926	3.0
206.15329	1.1
208.13255	1.1
216.13736	1.1
218.15356	5.0
234.14882	9.6
236.16409	7.1
247.09610	0.8
260.16452	1.2
262.17783	1.1
264.19577	1.8
272.60370	0.7
280.19119	0.9
292.19077	11.4
308.18539	21.5
309.18967	1.0
317.60852	0.6
330.20840	1.1
336.17859	0.8
338.41574	0.6
360.17917	2.2
390.22693	1.2
434.21732	99.9
435.22092	6.1
436.22308	0.7
452.22775	0.9
716.47253	100.0
717.47455	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	717.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17929	0.3
69.03438	0.6
81.03439	0.5
85.02916	0.7
91.05478	0.8
92.45750	0.3
97.02906	0.5
103.05486	0.6
105.07043	0.6
119.05002	0.5
121.06487	0.4
123.04387	0.4
127.03957	0.6
137.05984	3.2
151.03931	1.0
151.07549	0.4
155.03169	1.1
163.07568	0.4
167.07062	0.8
169.04759	0.8
175.07597	0.7
177.05467	0.6
180.99507	0.3
181.05020	0.7
181.08743	0.3
185.04221	0.6
187.07558	0.6
187.17767	0.4
189.09253	0.4
191.07077	1.4
197.04262	0.7
207.06502	0.6
209.08200	0.5
229.80144	0.4
243.13841	0.7
273.06021	1.1
274.06180	0.9
299.07422	6.1
347.34500	0.4
367.15631	0.8
387.14658	0.6
425.12299	1.1
440.14334	1.8
441.15381	1.1
453.13919	0.5
603.20532	1.0
717.23578	100.0
718.23834	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	717.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
57.03433	3.2
61.02929	5.3
63.18205	0.5
67.05505	7.3
67.79851	0.5
69.03420	3.1
69.07073	2.5
69.20020	3.6
71.01398	0.9
71.04997	0.6
73.02919	4.7
73.41874	0.5
79.05486	5.4
81.03417	2.3
81.07053	5.5
83.04984	1.1
83.08631	1.3
83.28688	0.6
85.02911	6.4
86.09696	0.6
90.52197	0.6
91.03963	3.9
91.05487	3.3
93.07041	6.3
95.04986	1.2
95.08608	5.0
97.02894	4.4
97.06551	0.8
97.10181	1.0
98.23534	1.0
99.04471	0.8
99.08031	0.6
101.02412	1.9
105.07046	1.3
107.08607	3.4
109.10172	1.5
117.07037	0.9
119.08572	2.0
121.10159	2.6
127.03930	1.7
131.08598	0.8
133.10175	1.0
135.09392	0.6
135.11671	3.5
145.10211	1.0
163.11162	0.8
176.13994	0.5
184.07352	1.2
185.04276	0.6
187.07611	1.6
188.07976	0.8
203.05188	0.7
221.11455	1.4
243.08498	1.7
283.15518	2.0
284.15924	1.0
311.25827	2.1
312.26221	1.8
335.25916	0.7
410.48376	0.6
439.19168	4.6
474.59470	0.6
519.29474	7.9
520.37366	1.7
521.38214	0.9
543.41357	0.6
717.41791	100.0
718.42377	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	717.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36490	0.2
53.03958	0.3
55.05515	2.1
56.05022	0.5
57.03437	0.4
57.07081	2.0
60.04528	12.7
67.05506	3.4
68.05038	1.2
68.86544	0.2
69.03413	0.3
69.07069	2.8
69.49749	0.5
70.06599	0.4
71.04978	0.5
71.08639	1.5
74.06082	0.4
74.07381	0.2
75.41718	0.3
78.46909	0.2
78.87910	0.2
79.05496	1.5
81.03395	0.3
81.07064	3.3
82.06575	0.6
83.04974	1.0
83.08629	2.5
85.10182	0.9
86.06075	0.5
90.05553	0.7
91.05486	0.6
93.07058	1.4
94.01142	0.2
95.08603	4.0
96.08114	0.3
97.06527	0.6
97.10170	1.0
99.04474	0.6
105.07030	0.3
107.08587	0.9
109.10165	1.8
111.11731	0.5
120.27917	0.2
121.10147	0.8
123.11712	0.7
127.01555	0.3
129.06920	0.3
131.08580	0.3
135.11673	0.6
137.13243	0.3
145.06593	0.2
146.09660	0.4
155.03407	4.0
156.03705	0.2
158.09650	0.4
159.10435	0.5
172.11246	0.4
186.12897	0.6
187.13576	0.5
200.10580	0.3
212.23813	1.0
214.15968	0.7
216.91998	0.2
218.11887	0.6
232.13399	0.6
240.26862	0.4
246.10986	0.2
250.25360	4.2
251.23759	1.0
256.26477	0.3
260.16455	2.5
268.26349	6.8
269.26816	0.4
274.27383	0.7
280.05908	0.2
286.27417	13.6
287.27725	0.3
301.74921	0.3
304.28461	100.0
305.28796	3.0
368.18564	0.3
380.52063	0.2
414.19049	5.0
717.35309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
67.05526	1.0
69.03426	3.4
69.46381	1.5
79.05499	2.5
80.05017	1.3
80.41689	0.7
81.03436	1.4
82.06576	1.8
85.02911	5.4
91.05486	2.2
93.05788	0.8
93.07047	5.3
94.06578	7.0
95.04985	1.2
95.07364	6.6
96.08134	17.1
97.02907	1.8
97.06525	2.3
103.05482	1.3
105.04530	0.9
107.07349	0.9
108.08116	13.9
109.08962	1.0
110.09685	31.1
120.04547	0.7
120.08106	20.6
121.06469	1.0
122.06041	1.0
122.09686	1.1
123.06815	0.9
124.07607	1.6
127.03941	1.3
136.07584	9.4
137.08286	0.6
138.05547	1.4
138.09145	38.5
139.09515	0.7
144.04588	0.6
146.06064	1.7
148.07568	6.7
150.09181	3.5
152.07083	1.1
154.08614	1.1
164.07184	0.8
166.08641	81.9
167.07024	0.8
167.08974	1.5
171.03534	0.7
172.03947	4.4
187.72012	0.7
190.05026	1.6
198.07726	1.1
204.06526	3.9
206.08110	1.0
211.08527	1.5
213.10323	1.1
223.08696	2.2
224.09549	1.1
225.10217	4.1
227.08243	2.9
235.08891	1.0
237.10226	12.7
238.11003	2.0
239.08134	5.8
239.11832	3.0
240.08540	0.7
241.09718	4.0
249.10196	0.9
251.08177	5.1
252.09044	1.9
253.09723	12.8
255.07828	1.0
255.11356	3.8
265.09720	24.6
266.10504	2.1
267.07785	3.5
267.11304	7.5
268.08316	0.8
268.11859	0.8
269.09189	2.8
275.50830	0.7
279.07755	2.3
280.08249	0.9
281.09232	17.0
281.12390	1.1
283.10767	14.7
287.10287	2.6
293.09213	16.9
294.09717	1.8
295.10776	16.1
295.13898	1.1
297.12399	0.9
299.10223	5.6
301.11884	2.0
309.08670	4.4
311.10236	16.9
311.13776	1.2
313.11850	2.8
315.13474	1.3
321.08664	8.9
322.09335	0.7
325.11865	3.0
327.09735	17.6
330.12549	0.9
331.13266	1.6
339.09750	32.2
340.10178	1.1
341.11465	5.0
343.13181	1.2
344.13950	1.0
353.11368	5.5
357.14581	1.0
359.12375	35.8
360.12744	1.1
371.12393	21.1
372.13065	1.6
388.16510	2.4
390.18161	0.9
418.17834	5.7
418.23010	0.9
436.18805	2.3
446.17010	6.2
448.18814	1.5
464.18222	16.6
465.18524	1.2
474.16901	4.1
478.19748	1.0
489.16364	0.8
492.17667	100.0
493.17993	5.7
506.19281	8.4
524.20288	86.7
525.20624	5.3
560.35095	0.7
640.12164	0.7
654.22803	5.0
686.25787	1.0
718.31647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
58.66124	0.6
61.02914	1.2
65.03963	0.7
69.03418	4.5
70.19333	1.3
71.04978	0.7
71.68941	0.6
73.02879	0.7
73.85860	0.7
79.05483	1.1
81.03396	1.6
85.02901	16.5
91.03925	1.0
91.05477	2.9
91.87706	0.6
94.04177	1.8
94.45122	0.5
95.04956	0.8
97.02898	4.9
99.04457	0.9
103.05446	3.1
107.04956	1.1
109.02867	1.5
109.06497	2.2
115.05473	4.1
117.07009	1.1
119.04913	2.1
122.03656	3.9
123.04412	0.7
125.05980	1.7
127.03920	3.3
128.06190	1.3
129.07016	8.5
131.04913	9.1
133.02831	1.4
133.06456	1.4
137.05972	100.0
138.06326	2.0
143.04916	8.3
143.08510	0.8
144.05688	1.8
145.04974	2.9
145.06470	2.6
146.07239	0.6
147.04488	1.1
149.06000	1.9
151.03903	2.5
151.07552	3.9
153.05455	2.8
157.06499	6.0
158.07272	0.9
160.05188	10.4
161.05952	5.3
163.07516	6.0
165.05449	1.4
171.08038	0.9
172.05171	3.5
173.05855	0.8
174.06728	7.6
175.07539	73.1
176.07872	2.0
177.05455	1.5
177.09055	1.5
179.07054	2.1
180.08679	1.9
185.06038	1.0
187.07532	53.8
188.07896	2.9
189.09099	15.9
190.07916	0.6
191.08521	1.0
193.59273	0.8
199.07504	3.0
201.09050	1.2
202.07715	0.7
203.08540	4.0
205.08600	13.7
211.07455	2.9
217.08578	21.2
218.08951	1.2
219.08032	4.0
220.08714	1.5
227.06979	2.2
231.08055	5.6
232.08635	1.3
235.07355	1.2
235.09628	16.6
237.09053	1.5
239.07033	2.0
240.07788	2.5
241.08754	1.1
245.09573	0.8
247.07602	5.3
248.08270	6.8
249.09033	1.1
251.10687	4.3
253.08604	0.7
255.06554	3.4
256.07281	1.7
259.07507	3.6
260.08173	1.3
261.09192	3.5
263.10687	9.5
264.07730	1.8
265.08542	3.6
269.08197	0.7
270.08841	10.4
271.09631	12.6
276.07849	5.7
277.08551	2.1
279.10110	10.5
280.10757	1.4
281.08054	1.3
283.09708	3.4
290.09262	0.8
291.10141	21.2
292.10699	2.4
293.08170	3.8
293.11023	1.0
295.09592	0.7
295.13281	1.0
296.10403	5.9
297.11032	1.7
305.11652	0.7
307.09601	0.8
308.10434	3.1
309.11234	1.8
309.91861	0.6
311.12741	21.3
312.13147	0.8
313.14093	1.1
323.12766	42.4
324.13004	2.3
325.14200	2.6
329.13681	1.9
341.13818	94.4
342.14105	5.5
359.14896	1.0
433.48117	0.7
503.19116	6.6
504.19830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05513	1.1
57.03431	0.4
57.07087	0.3
61.02919	0.3
62.06067	0.5
67.05502	1.2
68.05006	0.2
69.03431	1.2
69.07071	1.1
69.18456	0.2
69.18857	0.8
70.06562	0.4
71.04971	0.2
71.07378	0.3
71.08633	4.2
72.08143	0.8
73.02902	0.2
78.18703	0.1
79.05487	1.0
81.03413	1.1
81.07051	2.5
83.04966	0.4
83.05438	0.2
83.08619	0.5
84.04500	0.2
84.08144	0.9
85.02898	2.0
86.06062	3.7
87.04456	0.4
87.04950	0.2
91.05469	1.3
93.07033	0.7
95.04977	0.7
95.08611	1.4
96.08127	2.4
97.02895	0.9
97.06541	0.8
97.10187	0.2
98.06073	0.6
98.09700	2.1
98.23504	0.3
99.04449	0.6
99.08092	2.3
105.07000	0.8
107.04947	0.2
107.08569	0.8
108.08109	1.4
109.02858	0.7
109.06529	0.7
109.10135	0.5
110.09664	0.4
111.08086	0.2
112.07536	0.2
113.08393	0.4
114.09141	0.3
115.03940	1.2
116.10730	15.4
117.11089	0.3
119.08542	0.9
121.06468	0.2
121.10116	0.5
122.09659	1.2
123.08039	0.2
123.11701	0.3
124.07551	0.3
126.09179	0.5
127.03895	1.7
129.06999	0.3
131.08548	0.4
133.06491	0.3
133.10143	0.9
135.08099	0.2
135.10442	0.2
135.11696	0.2
136.11194	0.6
137.05937	0.2
138.09128	0.2
140.10680	0.6
142.08652	0.3
142.12300	0.2
143.10658	1.6
145.04913	0.5
147.11682	2.0
148.25688	0.2
149.09592	0.2
150.12766	0.3
151.03909	4.5
151.05013	0.3
154.12233	0.3
154.15894	2.7
157.10136	1.0
164.14325	0.3
165.12772	0.4
166.15916	2.1
168.17499	0.5
169.08615	0.2
175.11163	1.4
178.15919	0.9
193.12238	1.2
196.16960	6.9
197.17323	0.3
211.13293	0.6
214.18007	100.0
215.18384	2.1
229.14305	0.8
241.96426	0.2
254.17528	0.3
255.15816	0.5
259.08044	0.3
283.15298	0.5
284.25848	0.3
285.16974	0.3
289.78531	0.2
308.22073	0.4
326.09564	0.2
326.23199	1.8
344.24365	2.1
406.29544	0.4
417.26059	0.4
424.30557	6.5
425.30960	0.4
434.29019	0.3
435.27652	0.3
442.31619	10.9
443.32019	0.4
452.30167	1.2
453.28143	0.9
470.30994	0.6
490.26529	1.9
491.26837	0.2
493.27881	0.5
620.32751	0.5
718.39038	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51522	0.9
53.03942	2.5
55.01886	4.4
55.05513	14.8
57.03437	9.6
57.07085	1.0
59.05004	3.1
61.02930	3.2
65.03944	3.2
67.05507	100.0
69.03447	4.5
69.07067	16.0
71.05004	4.9
73.02910	1.7
79.05494	25.3
79.21457	1.0
80.69891	0.9
81.03418	5.1
81.07059	35.7
83.04981	4.7
83.08617	11.0
85.02903	4.1
85.06551	4.7
91.05480	21.4
93.07044	27.7
95.04984	7.2
95.08610	17.7
97.02898	3.3
97.06528	8.2
97.10161	6.5
99.04469	1.6
99.08099	2.2
99.38741	1.0
103.05479	1.1
105.07034	15.4
107.04982	4.8
107.08604	18.2
109.02892	1.5
109.06533	3.3
109.10162	74.2
110.10529	1.7
111.08080	5.9
115.05463	0.9
117.07017	8.2
119.08585	16.6
121.06576	2.2
121.10147	8.7
123.08049	1.7
125.08847	1.0
125.09649	6.4
127.03928	1.9
129.07001	2.2
131.08569	9.7
133.10120	9.3
135.08043	2.9
135.11693	6.9
137.09616	4.1
141.06984	1.0
143.08601	1.8
145.04910	1.1
145.10129	8.2
147.11687	6.3
149.09615	6.7
149.13269	4.0
151.11172	1.2
155.08597	1.0
155.10635	6.1
157.10150	2.2
159.11667	6.7
161.09625	1.4
161.13312	1.8
163.11140	4.4
169.00256	0.8
169.10188	1.5
171.10167	1.1
171.11731	2.3
173.11765	21.1
173.13275	3.3
175.11302	1.0
177.12810	2.2
179.14325	1.1
183.11653	1.5
189.11220	3.2
193.12138	1.2
195.13826	2.4
197.13292	1.0
217.15971	1.1
227.12787	14.0
229.14345	69.4
230.14618	1.7
239.18028	1.4
247.20638	1.5
255.15747	2.1
257.19022	7.2
267.15839	1.1
269.17465	9.0
275.20081	20.5
276.20355	1.2
293.17520	1.1
325.19992	1.9
331.22681	1.6
349.20004	0.8
349.23734	18.7
367.24988	1.4
383.24597	1.0
399.23700	4.4
407.28012	1.9
409.25787	13.9
423.27390	49.2
424.27585	1.5
463.30322	1.5
485.32880	1.5
503.26456	2.0
503.33658	34.4
504.33972	1.7
521.34790	6.8
567.31354	2.9
588.12433	1.2
647.38287	1.0
718.34778	8.4
719.35870	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	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
53.36888	0.5
55.01873	2.5
55.05512	8.2
57.03439	7.7
57.07078	24.5
57.07337	1.0
61.02896	0.9
65.03912	0.7
67.05505	14.6
69.03397	1.4
69.07072	8.0
69.19589	1.5
69.19999	1.2
71.04951	1.4
71.08631	19.9
73.02905	1.2
79.05490	12.6
81.03378	2.2
81.07061	17.8
83.04934	1.9
83.08620	12.3
85.02863	1.2
85.06519	0.8
85.10179	11.1
89.06007	3.0
91.03924	0.6
91.05476	4.8
93.07043	22.2
94.07326	0.6
95.04958	4.9
95.08605	34.0
96.08926	0.9
97.02872	3.4
97.06533	2.6
97.10174	4.2
98.22750	0.9
99.04469	2.9
99.11732	0.6
103.07541	0.9
105.04471	0.6
105.07026	5.2
107.04958	5.2
107.08591	17.5
109.06477	1.4
109.10145	7.5
111.04388	0.8
111.11673	0.7
113.05982	0.6
117.07026	7.0
117.09136	0.5
119.08591	6.7
121.06492	3.8
121.10130	8.6
123.11705	2.4
123.19059	0.5
123.55496	0.6
125.05959	1.9
130.07802	0.8
133.08574	0.9
133.10112	1.4
135.08057	0.8
135.11693	34.2
136.12016	1.1
137.13214	1.3
139.07495	1.1
143.08501	0.7
145.10123	20.4
153.12708	0.8
163.11182	45.3
164.11475	0.5
173.09601	0.9
181.12224	7.4
184.07513	0.5
202.02095	0.6
209.11530	1.3
227.12770	53.5
228.13086	1.1
239.23676	1.0
257.24680	1.4
267.15967	0.8
268.15967	0.5
283.15396	100.0
284.15872	2.4
313.27359	99.4
314.27737	4.5
429.85339	0.6
521.38391	99.8
522.38672	6.9
619.48853	0.8
670.76849	0.5
719.44257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38332	0.8
53.03939	1.6
55.01868	1.4
55.05511	15.7
57.03439	7.2
57.07078	4.2
61.02924	1.8
65.03929	1.0
67.05513	15.3
69.03420	3.1
69.07067	16.5
71.04983	2.9
71.08636	1.6
79.05495	12.3
81.03419	30.8
81.03902	1.5
81.06624	1.6
81.07062	20.3
83.04988	6.9
83.08624	22.7
85.02908	12.3
85.10197	0.9
86.09720	1.3
89.06039	0.9
91.03905	1.0
91.05482	11.7
93.07047	13.1
95.04974	11.4
95.08605	13.8
97.02892	2.6
97.06528	3.3
97.10171	7.3
98.22710	2.9
99.08065	1.5
105.07027	7.7
107.04955	2.8
107.08601	6.4
109.06503	2.7
109.10162	5.0
111.04434	1.6
111.08076	6.1
111.11740	1.3
117.07024	0.9
119.08590	7.4
121.04029	0.8
121.06457	0.9
121.10146	10.4
123.08105	1.0
123.11694	2.8
125.09658	2.0
129.07042	4.3
131.08569	4.3
133.06474	1.6
133.10155	4.3
135.11681	4.8
137.13258	2.5
145.10135	0.9
147.08020	1.8
147.11693	7.3
149.09622	2.9
149.13219	1.2
157.10132	6.3
163.11171	1.3
165.12756	1.1
175.11171	7.4
184.07283	4.1
193.12247	22.1
203.07080	2.2
204.07439	1.5
211.13298	30.1
237.22090	1.3
267.15933	8.4
283.15396	2.3
285.16986	33.2
311.25812	39.5
312.26077	1.4
313.27374	2.1
376.75555	0.9
394.70779	1.0
503.37247	7.4
521.38409	100.0
522.38507	5.6
651.68451	0.9
668.39368	1.2
718.46771	4.6
719.34808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.9
54.94884	0.5
55.01871	1.2
55.05513	20.6
57.03436	14.1
57.07074	4.9
59.04978	1.0
61.02930	3.5
65.03901	1.6
67.05505	25.0
69.03395	2.4
69.07066	23.0
69.07619	0.6
69.62220	0.5
69.93964	1.6
71.04994	3.9
71.08593	1.9
73.02914	1.0
73.06536	0.6
79.05491	19.7
81.03416	41.5
81.07056	30.7
82.07390	0.6
83.04981	9.9
83.08617	26.6
84.08882	0.8
85.02908	17.5
85.06519	1.9
85.10157	1.2
91.03918	1.5
91.05479	19.0
93.07044	16.8
95.04969	15.8
95.08604	17.5
97.02892	3.8
97.06530	4.5
97.10165	10.0
99.08086	1.3
105.06373	0.7
105.07029	14.0
107.04942	4.6
107.08588	10.0
109.06499	2.6
109.10165	6.4
111.04396	1.8
111.08082	8.7
111.11702	1.6
113.05944	1.6
115.05415	1.1
117.06948	0.9
119.08586	13.1
121.06462	0.7
121.10146	14.1
122.17200	0.7
123.08028	2.5
123.11688	3.7
125.09608	1.8
127.03889	0.6
127.07465	0.6
129.06999	6.1
131.08575	8.8
133.06458	1.9
133.09363	0.6
133.10141	7.9
135.11691	6.9
137.09573	1.2
137.13229	2.5
139.11180	0.7
142.07758	2.2
145.10112	1.1
147.08035	2.3
147.11674	10.1
149.09616	4.5
149.13240	2.4
153.12704	0.7
154.40245	0.6
154.41597	0.6
157.10121	10.6
163.11154	1.0
163.14795	1.3
165.12758	2.4
175.11191	9.6
184.07304	1.6
193.12245	28.6
194.12537	0.7
211.13281	50.4
212.13725	0.9
219.21080	1.2
237.22081	2.1
267.15921	17.7
285.16959	74.2
286.17245	1.8
311.25787	70.6
312.26135	1.8
503.37308	14.1
504.37637	1.1
521.38379	100.0
522.38647	5.3
718.44983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
55.05266	0.6
55.05513	9.8
56.02222	0.5
57.03185	0.8
57.03439	12.1
57.07075	26.1
59.04989	1.8
61.02926	4.0
67.05164	1.0
67.05505	12.8
68.55077	0.6
69.03418	1.2
69.07065	7.3
70.62947	0.5
71.01342	1.2
71.04972	2.4
71.08630	18.8
73.02901	1.2
79.05492	10.9
81.03410	7.7
81.07056	15.8
82.32127	0.6
83.01344	5.5
83.04977	7.8
83.08617	13.2
84.42961	0.6
85.02901	6.3
85.06523	0.7
85.10178	11.0
87.35906	0.7
89.06010	1.4
91.03934	2.3
91.05483	6.6
93.07040	14.0
95.04974	4.6
95.08023	0.9
95.08606	15.8
97.02870	3.6
97.06518	2.6
97.10170	4.4
97.78622	0.5
98.22629	1.3
99.04441	1.6
99.11748	0.7
103.07559	0.8
105.07030	4.7
107.04938	5.1
107.08594	7.3
109.06506	5.1
109.10150	6.9
110.85667	0.6
111.04428	1.5
111.08099	0.9
111.11710	1.1
111.67228	0.5
115.13145	0.6
117.07018	3.7
118.13052	0.6
119.08580	5.7
121.06489	1.5
121.10154	5.2
123.08070	6.2
123.11707	2.5
125.05964	1.1
128.70407	0.5
128.72185	0.5
131.08562	1.8
133.10124	0.8
135.08023	1.0
135.11685	10.1
137.09592	1.2
137.13235	0.9
139.11241	0.7
143.08459	1.2
145.10129	10.0
147.08034	1.1
149.09447	0.6
153.12711	2.0
155.08516	0.8
162.95415	0.7
163.11176	17.4
173.09567	2.8
181.10591	0.6
181.12100	2.7
184.07399	1.2
191.10664	1.8
196.09995	0.6
208.49945	0.6
209.11774	4.0
227.12732	3.8
239.23784	1.2
257.24777	1.7
283.15399	100.0
284.15714	2.6
305.16968	0.6
313.27359	80.2
314.27731	2.5
350.81659	0.7
400.96100	0.6
521.38373	50.3
522.38715	3.1
723.82196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.1
57.07080	33.8
59.04996	1.2
67.05499	3.0
69.07088	2.9
69.24654	5.4
71.08272	1.8
71.08633	22.3
73.02901	1.9
73.06551	9.6
81.03408	3.2
81.07037	3.5
83.08624	4.1
85.09692	1.8
85.10183	20.6
86.09718	1.5
87.04466	11.2
87.08028	1.2
89.06036	100.0
91.05483	1.6
95.08593	1.5
97.10161	4.4
99.11732	4.1
107.07055	2.3
107.08582	1.5
109.10169	1.5
117.09143	11.1
119.08613	1.5
121.10105	2.0
130.08650	3.7
131.07021	3.3
131.08646	1.4
133.08611	54.7
134.08966	1.6
135.10170	1.8
135.98993	1.2
155.17946	4.7
161.11768	2.7
175.09679	2.3
177.11244	25.2
184.07367	6.2
193.12305	2.4
199.20560	4.6
213.54454	1.3
221.13841	5.4
239.14687	1.7
243.23215	12.9
267.15836	5.6
283.17538	2.5
287.25806	6.3
311.25842	4.6
503.37366	3.5
521.38300	1.7
682.90820	1.3
701.50397	6.2
718.43182	6.1
719.45593	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	719.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.5
69.31017	1.6
81.07063	0.5
85.02903	0.7
92.48980	0.4
95.08589	0.4
97.02879	0.4
102.46527	0.4
105.07092	0.4
113.84592	0.4
121.06522	0.4
141.05267	0.4
155.03169	0.7
157.03743	0.3
169.04771	1.3
185.04286	1.1
192.08696	0.4
193.12242	0.4
197.04271	0.6
210.07993	0.3
221.05142	0.4
248.54433	0.3
281.05917	0.4
281.11475	0.6
299.07455	3.3
303.63272	0.4
317.11978	0.4
329.08316	0.5
347.09476	7.1
359.09641	0.5
388.20999	0.4
437.85648	0.4
443.11716	0.5
443.16629	2.0
456.61694	0.4
461.12646	12.0
605.22321	1.7
719.25134	100.0
720.25653	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	719.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05513	2.0
57.03437	1.9
57.07092	0.5
60.04526	1.3
61.02935	2.7
63.04800	0.5
67.05505	4.7
69.03431	1.9
69.07068	1.5
70.06609	0.9
71.04999	0.7
71.44308	0.8
72.04503	1.3
73.02905	2.6
79.05499	4.1
81.03407	3.6
81.07049	4.1
83.04980	1.3
83.08629	1.7
83.39190	0.6
85.02911	5.2
85.06575	0.6
87.04451	0.7
91.03973	1.1
91.05486	6.2
93.07056	2.9
95.04971	2.0
95.08598	2.9
97.02897	2.5
97.06541	1.1
99.04472	0.9
101.02378	1.2
105.07028	5.3
107.04936	2.0
107.08614	1.6
109.02892	1.4
109.06543	0.7
109.10175	1.6
111.08121	0.6
111.54722	0.5
117.07041	2.3
119.08571	3.0
120.04411	0.7
121.10176	1.3
123.08140	0.5
123.35379	0.5
125.01575	1.0
127.03936	1.5
129.07021	1.0
131.08575	1.8
133.05244	1.5
133.10156	1.3
141.07014	0.6
143.08498	0.6
145.10153	1.8
147.11662	1.2
163.10942	0.6
171.11771	0.7
171.60699	0.5
173.13350	0.6
193.12326	0.9
204.13855	1.1
214.08650	1.2
229.14383	1.0
242.08221	3.3
243.08478	1.9
251.12572	1.0
273.14636	0.9
314.26978	2.6
329.16974	0.7
388.21344	1.0
404.20621	0.8
416.43988	0.6
469.20532	4.5
491.22580	6.3
492.23096	0.7
501.30774	0.6
503.34140	0.7
603.72223	0.6
706.61255	0.6
719.35992	100.0
720.36383	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01888	0.8
55.05501	2.3
57.03443	1.6
58.60188	0.6
60.04533	1.0
61.02929	3.2
61.60910	0.7
67.05501	5.5
68.34666	0.7
69.03428	2.2
69.07056	1.5
69.83409	1.9
73.02917	2.1
79.05481	4.0
81.03413	4.2
81.07049	4.4
83.05003	0.8
83.08639	2.1
85.02905	5.0
86.51993	0.6
91.03961	2.5
91.05488	4.7
93.07050	2.9
95.04972	2.6
95.08619	2.8
95.68275	0.7
97.02890	3.2
97.06502	0.6
98.58069	0.6
99.04456	1.5
101.02383	1.6
105.07024	4.0
107.04958	1.0
107.08592	2.4
109.02912	1.1
109.10160	2.9
110.10522	0.8
117.07040	1.6
119.08596	2.7
121.10159	1.3
125.09668	0.8
127.03926	1.4
129.07033	1.5
131.08603	2.0
133.05214	0.9
133.10106	1.3
135.08031	0.7
145.10156	1.0
147.11732	1.1
149.09636	0.8
157.10172	1.0
175.11176	0.7
185.04143	0.9
193.12280	1.9
229.14365	1.4
242.08214	1.7
243.08452	1.4
273.14642	1.7
304.28314	3.4
305.28894	1.6
388.21201	0.8
424.10239	0.7
469.20453	7.1
491.22601	3.1
504.34082	1.2
719.35938	100.0
720.36414	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	719.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35775	0.4
61.59335	0.4
69.61474	1.6
79.65773	0.4
82.42780	0.3
88.08765	0.3
91.05443	0.6
93.07112	0.6
98.22745	0.7
121.06543	0.7
133.29266	0.4
167.07014	0.4
168.45671	0.5
209.08206	0.4
238.65332	0.4
244.30048	0.4
256.35931	0.4
321.04968	0.6
367.21436	0.6
370.17993	0.4
719.36145	100.0
719.45923	4.1
720.36560	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	720.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03727	0.4
53.03943	2.5
55.01868	1.5
55.05508	7.1
57.03438	4.2
59.04986	0.6
59.15936	0.4
61.02920	0.5
62.74469	0.4
65.03942	1.1
66.07363	0.3
67.05506	16.5
68.05875	0.5
68.24541	0.4
69.03423	1.3
69.07070	3.8
71.04991	1.4
71.20280	0.6
77.03958	0.6
79.05495	24.3
80.05862	0.5
81.03419	33.6
81.07059	15.0
83.04985	5.8
83.08627	8.5
85.02908	0.9
85.06547	0.8
91.05484	22.1
92.05830	0.5
93.07048	23.4
95.04971	14.4
95.08612	9.2
97.02890	1.6
97.06527	1.6
97.10162	2.1
99.08092	0.4
105.04529	1.6
105.07035	17.1
107.04945	3.7
107.08593	6.9
109.06525	2.7
109.10172	1.8
111.04421	0.7
111.08111	2.6
115.05449	0.5
116.61961	0.4
117.07021	3.4
119.04933	0.6
119.08582	11.0
121.06528	2.0
121.10131	3.7
123.04415	0.5
123.08064	2.4
125.09576	0.4
127.07570	0.6
128.06200	1.0
129.06995	7.8
131.08565	3.7
132.96364	0.4
133.06499	1.3
133.10126	4.4
135.08061	0.5
135.11694	0.9
137.09650	0.8
142.07802	0.9
143.08565	3.0
145.10133	4.3
147.08070	2.1
147.11685	15.4
148.12022	0.5
149.09636	1.9
157.10126	4.7
159.11700	0.6
161.09618	2.1
161.13274	4.2
163.11208	0.6
165.12843	0.8
169.10176	0.5
171.10199	0.5
171.11681	9.9
171.13040	0.7
175.11154	3.4
181.97324	0.4
183.12041	0.5
189.12724	3.6
193.12244	9.1
193.13965	0.6
194.12628	0.5
207.13824	9.8
235.13350	0.5
249.15025	1.0
267.15921	32.6
268.16211	1.1
281.17471	36.2
282.17880	1.4
347.45560	0.4
352.54974	0.5
356.94925	0.4
421.25836	1.4
447.26978	0.6
455.27850	0.7
473.28995	100.0
474.29416	6.7
491.30310	3.0
515.29974	1.8
523.33081	0.5
540.33911	0.5
581.30688	0.8
669.60101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01870	4.7
55.05259	1.2
55.05513	18.2
57.03178	1.8
57.03439	19.3
57.07072	1.7
59.05010	1.5
61.02930	5.0
65.03922	2.4
67.05508	40.0
69.03429	9.7
69.07073	22.9
69.69144	3.2
71.04994	6.3
71.08607	0.9
73.02919	1.6
79.05495	43.2
81.03419	100.0
81.07056	44.1
82.03757	1.7
82.07416	1.1
83.04984	23.6
83.08619	26.7
84.13111	0.9
85.02906	37.4
85.03416	1.9
85.06553	4.1
87.04474	2.0
91.03944	2.5
91.05482	48.9
93.07047	40.7
94.07347	0.9
95.04968	36.6
95.08609	25.7
97.02892	7.1
97.06535	9.3
97.10154	5.4
99.04492	1.4
99.08109	1.8
103.05550	0.9
105.04514	2.6
105.07034	31.7
107.04959	9.8
107.08597	19.2
109.02896	2.0
109.06537	9.4
109.10170	9.4
111.04465	2.3
111.08076	11.0
113.06014	2.9
114.82771	0.8
115.05474	1.3
117.07020	6.4
119.04961	0.9
119.08582	36.8
120.08894	1.0
121.06503	11.2
121.10150	14.0
123.04422	1.2
123.08073	7.8
123.11713	3.5
125.06011	0.9
125.09658	3.4
127.03958	1.1
129.07005	13.2
131.08566	16.7
133.05298	1.9
133.06508	4.4
133.10135	21.1
135.08078	5.1
135.11697	5.5
137.09608	6.1
142.07762	3.5
142.12242	1.2
143.08571	6.5
145.10146	4.6
147.08084	5.3
147.11700	17.9
149.09608	7.2
149.13126	1.2
151.11201	1.6
157.10133	19.6
159.07997	0.9
159.11722	6.1
161.09641	1.9
161.13263	3.0
163.11192	3.5
165.12769	4.2
173.09674	1.0
173.13315	1.9
175.11195	15.4
175.14796	8.6
177.12794	1.4
179.14462	1.0
184.07314	1.3
185.13266	8.7
189.09140	1.6
193.12234	38.0
193.15909	3.5
195.03712	0.8
203.14342	4.0
210.48109	0.9
211.13292	62.7
212.13623	1.8
214.08629	1.5
221.15369	58.4
222.15688	1.5
223.13280	1.5
227.12825	1.0
239.16423	65.5
240.16780	2.6
241.14352	1.4
242.08121	3.4
267.15915	30.9
268.16196	1.4
283.15408	3.7
285.16977	71.3
286.17422	2.3
295.18985	17.8
313.16595	3.5
313.20074	40.6
314.20374	1.3
395.25677	2.6
413.26749	3.0
419.27774	1.3
431.27997	1.8
437.28860	1.4
454.41418	1.0
459.27136	2.4
461.29077	1.6
469.29379	1.4
473.24860	1.1
477.28613	2.0
478.29333	1.0
487.30591	29.6
488.31329	1.8
491.26569	5.0
492.26154	1.1
505.31747	28.8
506.31995	2.3
515.32751	1.0
523.32886	97.2
524.33356	5.9
631.66620	0.9
720.37097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01871	1.7
55.05516	18.4
56.35939	0.7
57.03441	18.9
57.07081	38.2
60.02160	0.8
61.02930	4.1
65.03941	1.5
67.05511	27.6
69.03438	5.0
69.07079	12.0
71.05005	4.6
71.08636	24.3
72.08965	0.9
72.75464	0.8
73.02929	1.6
73.26035	0.7
79.05498	18.7
81.03423	67.8
81.07062	35.7
82.03735	1.0
83.04987	13.4
83.08628	29.1
85.02911	26.2
85.03414	1.2
85.06552	2.1
85.10194	16.2
89.06067	0.9
90.41072	0.8
91.03967	1.8
91.05486	19.2
93.07053	12.9
95.04975	24.7
95.08611	25.1
97.02879	4.2
97.06507	4.0
97.10167	7.6
99.08138	1.0
103.07625	1.0
105.07035	16.1
107.04970	5.8
107.08595	5.1
109.06557	3.5
109.10169	10.1
111.04463	2.2
111.08086	9.4
113.06003	2.1
115.05470	1.7
117.07062	1.4
119.08584	14.7
121.06507	1.1
121.10149	9.8
123.08120	2.3
123.11707	4.5
125.09637	1.3
129.07021	9.2
129.46910	0.7
131.08582	7.7
133.06519	2.7
133.10104	6.8
135.11707	1.2
137.09656	1.6
137.13269	1.3
142.07793	2.5
145.10156	1.0
147.08070	2.6
147.11691	11.0
149.09599	5.1
151.11226	1.2
151.14935	0.8
157.10155	11.7
165.12782	3.4
175.11211	12.2
183.03276	0.7
187.43388	0.8
193.12250	40.0
208.29671	0.8
211.13301	41.6
212.13734	1.5
229.56216	0.8
233.09941	0.8
239.23770	1.3
257.24707	1.2
267.15909	8.9
271.83356	0.8
285.16986	30.5
286.17160	0.8
313.27383	44.6
314.27838	2.6
430.51892	0.8
505.38950	7.3
506.39319	1.0
523.39978	100.0
524.40253	8.1
575.87079	1.0
579.97144	0.8
719.77417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
55.01849	0.7
55.05517	4.6
57.03439	5.8
57.07082	13.7
61.02897	2.1
67.05508	8.9
69.03402	1.2
69.07072	4.5
70.69874	1.1
71.04964	1.5
71.08636	9.4
73.02892	1.0
79.05502	5.9
81.03423	20.0
81.07065	10.8
81.07512	0.3
83.04993	4.4
83.08626	11.3
85.02911	8.4
85.06528	0.7
85.10186	5.8
89.06030	0.6
91.03935	0.8
91.04963	0.6
91.05484	8.8
93.07058	4.5
93.55308	0.5
95.04980	7.6
95.08046	0.7
95.08608	9.0
97.02859	1.7
97.06506	1.7
97.10164	3.7
105.06448	0.6
105.07034	6.6
107.04959	2.6
107.08609	2.1
109.06493	1.1
109.10157	4.3
111.04403	0.8
111.08084	4.0
113.05977	1.3
115.07537	0.4
119.08588	5.1
121.06506	0.6
121.10126	3.1
123.08060	0.7
123.11743	2.3
127.03938	0.5
127.07526	0.5
129.07014	3.6
131.08577	3.3
133.06477	1.0
133.10133	4.1
137.13239	0.7
139.49451	0.4
142.07735	1.0
144.62817	0.4
145.10144	0.9
147.08044	0.9
147.11694	5.2
149.09624	2.1
157.10161	4.6
163.11206	0.5
165.12708	1.0
175.11208	7.2
180.08878	0.5
184.07307	1.7
193.12262	23.8
194.12567	0.5
211.13306	48.8
212.13629	0.9
239.23619	1.7
249.15160	0.6
257.24792	0.8
267.15915	18.1
285.16977	69.8
286.17331	2.5
287.18536	0.5
311.25720	0.5
312.30338	0.4
313.27380	66.3
314.27725	3.0
450.27585	0.4
465.35873	1.7
505.38904	13.8
506.39072	0.5
523.39984	100.0
524.40344	6.5
721.39392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50078	0.2
55.01867	0.9
55.05506	0.6
56.05018	0.2
58.06626	0.2
58.65218	0.2
67.05162	0.2
67.05502	3.7
68.05029	0.3
69.03426	3.0
70.06587	4.5
77.03909	0.2
79.05493	1.7
80.05011	0.3
81.03394	0.3
81.07059	1.0
82.06570	0.4
83.01357	0.2
83.04974	0.2
83.07353	0.6
84.08134	2.1
85.02903	0.8
91.05472	1.0
93.07049	1.2
94.06554	0.6
95.04963	1.2
95.08606	7.9
96.08123	0.2
97.02898	0.6
97.06535	0.2
98.23486	0.6
103.05513	0.4
105.04521	0.2
105.07030	3.4
106.06532	0.3
107.04947	0.2
107.08601	0.6
108.08112	0.7
109.02885	0.3
109.06509	0.5
109.08880	0.2
115.03918	0.4
117.07013	0.3
119.04942	0.6
119.08549	0.3
120.08107	0.6
121.06493	0.3
122.09687	1.5
123.04429	5.0
123.08074	2.4
123.10499	0.5
125.06018	0.2
125.09648	0.4
127.03895	0.5
132.08058	0.6
133.06497	3.1
133.10139	0.3
134.09630	1.4
135.08046	0.6
135.10435	0.3
136.07591	0.2
136.11211	7.5
136.12247	0.4
137.05991	0.3
145.04987	0.2
147.04413	0.8
148.11180	0.3
149.05981	0.3
150.09135	4.4
150.12819	0.2
151.07544	4.4
152.10695	0.5
162.09134	0.6
162.12910	0.3
163.03941	0.2
163.07523	0.2
164.10690	1.5
164.14343	2.6
165.05521	0.2
167.07089	0.3
168.10179	0.3
170.09528	0.2
175.03912	0.9
177.05533	0.2
179.07024	0.2
180.10179	2.9
181.08650	0.4
182.11780	1.8
188.10652	0.9
189.09154	0.3
190.12222	0.3
206.11797	0.9
207.06534	3.0
220.13336	0.8
232.31490	0.2
247.09653	0.8
249.11205	1.9
250.11578	0.2
260.12802	0.5
262.14319	0.2
272.16489	0.6
290.17401	0.6
300.15881	0.9
303.14719	0.4
316.15442	0.2
318.16986	100.0
319.17300	3.6
355.01154	0.2
364.11758	0.2
369.11667	0.3
404.20676	3.2
532.38770	0.2
555.55359	0.2
672.25562	0.2
721.35333	0.6
723.62305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.1
55.04227	0.1
56.05018	0.1
67.05508	1.6
68.05019	0.1
69.03434	6.8
69.44949	0.5
70.06595	10.1
71.05011	0.1
79.05489	0.2
80.04992	0.2
81.07048	0.2
82.06571	0.8
83.01343	0.3
83.04970	0.2
83.07363	2.1
84.08142	6.3
85.08472	0.1
91.05479	0.4
93.07020	0.3
95.04949	0.1
96.08155	0.6
97.08927	0.2
98.06023	0.2
99.04452	0.2
99.12972	0.1
105.07025	0.4
106.06588	0.2
107.04950	0.2
107.07359	0.1
107.08611	0.1
108.08092	0.4
109.06519	0.2
109.08890	0.3
110.09661	0.6
111.10493	0.1
115.05452	0.1
117.07033	0.2
119.04905	0.1
119.08588	0.2
120.08092	0.6
121.06500	0.4
122.09683	0.2
123.08068	0.2
123.10419	0.2
127.03923	0.3
129.06975	0.2
131.08585	0.2
133.06520	0.2
133.10133	0.2
134.09654	0.9
135.08078	0.2
135.10460	0.6
136.07593	0.3
136.11223	1.8
137.05902	0.2
137.09605	0.2
138.12807	0.2
141.05504	0.2
143.08563	0.3
145.06531	0.2
147.08063	0.2
148.11195	0.2
149.05984	0.4
149.09602	0.1
150.09100	0.1
151.07504	0.3
151.09947	0.5
152.10744	0.1
153.05457	0.3
155.03378	0.4
155.07043	0.2
159.08084	0.2
160.08891	0.2
161.05939	0.2
161.09602	0.3
162.12776	0.3
163.07541	0.1
164.10791	0.1
164.14397	0.6
165.05537	0.3
165.09120	0.3
167.07077	0.3
169.05017	0.1
170.09531	0.1
171.08034	0.2
172.08775	0.1
172.11188	0.1
173.06071	0.1
173.09691	0.2
175.07573	0.2
175.55879	0.1
179.07021	0.3
181.08582	1.4
183.06505	0.5
189.07549	0.1
189.09070	0.5
190.12268	0.3
191.06981	0.2
191.12981	0.1
192.13821	0.1
193.08614	0.1
203.06989	0.1
203.10709	0.2
205.08438	0.2
206.05748	0.2
207.06537	0.1
217.08609	0.4
219.06546	0.3
220.13335	0.3
221.11748	0.2
231.10144	0.2
233.08063	0.2
234.08907	0.3
244.13722	0.1
247.09668	3.1
249.11227	6.3
250.11728	0.2
260.12827	1.9
267.18341	0.1
288.12277	0.4
291.12170	0.2
303.14636	1.7
316.15430	0.2
318.16989	100.0
319.17319	3.9
339.15952	0.1
386.19571	0.3
397.10709	0.1
404.20691	11.8
405.21078	0.6
493.34164	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	721.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50078	0.2
55.01867	0.9
55.05506	0.6
56.05018	0.2
58.06626	0.2
58.65218	0.2
67.05162	0.2
67.05502	3.7
68.05029	0.3
69.03426	3.0
70.06587	4.5
77.03909	0.2
79.05493	1.7
80.05011	0.3
81.03394	0.3
81.07059	1.0
82.06570	0.4
83.01357	0.2
83.04974	0.2
83.07353	0.6
84.08134	2.1
85.02903	0.8
91.05472	1.0
93.07049	1.2
94.06554	0.6
95.04963	1.2
95.08606	7.9
96.08123	0.2
97.02898	0.6
97.06535	0.2
98.23486	0.6
103.05513	0.4
105.04521	0.2
105.07030	3.4
106.06532	0.3
107.04947	0.2
107.08601	0.6
108.08112	0.7
109.02885	0.3
109.06509	0.5
109.08880	0.2
115.03918	0.4
117.07013	0.3
119.04942	0.6
119.08549	0.3
120.08107	0.6
121.06493	0.3
122.09687	1.5
123.04429	5.0
123.08074	2.4
123.10499	0.5
125.06018	0.2
125.09648	0.4
127.03895	0.5
132.08058	0.6
133.06497	3.1
133.10139	0.3
134.09630	1.4
135.08046	0.6
135.10435	0.3
136.07591	0.2
136.11211	7.5
136.12247	0.4
137.05991	0.3
145.04987	0.2
147.04413	0.8
148.11180	0.3
149.05981	0.3
150.09135	4.4
150.12819	0.2
151.07544	4.4
152.10695	0.5
162.09134	0.6
162.12910	0.3
163.03941	0.2
163.07523	0.2
164.10690	1.5
164.14343	2.6
165.05521	0.2
167.07089	0.3
168.10179	0.3
170.09528	0.2
175.03912	0.9
177.05533	0.2
179.07024	0.2
180.10179	2.9
181.08650	0.4
182.11780	1.8
188.10652	0.9
189.09154	0.3
190.12222	0.3
206.11797	0.9
207.06534	3.0
220.13336	0.8
232.31490	0.2
247.09653	0.8
249.11205	1.9
250.11578	0.2
260.12802	0.5
262.14319	0.2
272.16489	0.6
290.17401	0.6
300.15881	0.9
303.14719	0.4
316.15442	0.2
318.16986	100.0
319.17300	3.6
355.01154	0.2
364.11758	0.2
369.11667	0.3
404.20676	3.2
532.38770	0.2
555.55359	0.2
672.25562	0.2
721.35333	0.6
723.62305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59610	0.4
53.03926	0.6
55.01887	0.6
55.05516	1.7
57.03451	1.6
59.79389	0.6
61.02931	3.7
66.53668	0.5
67.05501	7.8
69.03428	2.9
69.07066	2.5
69.23114	2.7
71.05004	0.6
73.02917	3.0
79.05487	2.3
81.03423	2.7
81.07059	3.7
83.04991	0.9
83.08643	0.8
85.02914	3.6
87.04477	0.5
91.03967	1.9
91.05478	2.2
93.07055	1.6
95.04978	1.2
95.08617	1.1
97.02885	3.9
97.06571	0.5
97.10190	1.0
98.07654	0.5
99.04459	0.6
101.02392	0.8
105.07052	1.6
107.04939	0.5
107.08620	1.7
109.10151	5.3
117.07064	0.6
119.08591	1.8
121.10145	0.6
125.09647	1.1
127.03947	1.1
131.08530	0.5
133.10149	1.0
135.11723	0.6
147.11687	0.8
149.09834	0.5
155.10666	0.9
157.10185	0.6
173.11792	2.4
173.27869	0.5
185.04343	0.5
195.09979	0.5
223.13341	1.6
229.14270	0.6
243.08366	2.7
267.16025	0.7
275.20020	1.0
291.19482	1.0
331.18762	1.3
413.17804	9.8
466.70267	0.5
474.03955	0.5
541.35254	1.0
549.26862	4.9
721.37640	100.0
722.37933	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	721.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
56.55208	0.6
57.03433	1.7
57.07090	1.3
61.02927	2.1
67.05505	2.8
69.03432	1.5
69.07069	1.9
69.09412	3.9
73.02908	2.0
79.05499	1.7
81.03424	2.2
81.07058	2.5
83.08648	1.6
85.02882	2.9
85.10165	0.7
86.09688	0.6
91.03947	1.4
91.05464	1.0
93.07034	1.4
95.04997	0.8
95.08612	2.7
97.02901	3.5
99.04450	0.7
101.02386	1.7
105.07076	1.4
107.08601	1.2
109.02818	0.5
109.10172	0.8
112.43533	0.6
121.10164	1.7
125.00012	1.1
125.09644	0.7
135.11725	1.9
145.10150	1.1
158.10506	0.6
163.11206	2.9
184.07368	3.1
185.04292	0.8
217.63771	0.6
221.08418	0.6
227.12929	1.9
237.22058	0.6
243.08443	1.8
249.10989	6.2
267.15872	2.8
268.16315	1.5
305.13766	1.6
311.25684	1.3
313.27353	1.8
314.27649	1.7
467.18872	8.8
495.29401	4.5
506.39346	2.4
524.39728	1.1
721.41272	100.0
722.41437	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	722.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
57.03428	0.4
61.02900	0.8
67.98102	0.3
69.03426	1.8
69.88866	0.8
70.06569	0.7
81.03394	0.9
84.08109	0.8
85.02410	0.4
85.02900	5.8
87.04441	0.4
89.03933	0.4
89.20824	0.2
91.03947	0.4
92.04988	0.6
94.91328	0.3
97.02879	2.4
99.04442	0.4
103.05445	0.4
106.06586	0.3
109.02850	1.1
116.04980	0.5
118.06515	0.9
120.08053	0.6
127.03906	1.1
129.10222	0.7
130.06500	1.1
131.04881	0.8
133.05203	0.6
134.05992	3.5
144.04434	1.2
145.04944	1.1
146.04878	0.5
146.05995	7.2
148.03920	4.8
148.07559	4.3
156.04428	0.3
158.06010	5.7
162.05493	22.9
162.60829	0.3
163.05862	0.5
172.03880	1.6
174.05498	7.3
176.07071	3.3
180.07753	0.3
184.03938	1.5
184.84964	0.3
186.05493	76.8
187.05847	2.6
190.04979	66.9
191.05348	1.4
192.06516	0.3
202.04976	34.6
203.05313	0.6
204.06548	65.6
205.06755	1.6
220.06032	5.2
230.04465	2.7
248.05527	100.0
249.05902	2.7
281.24603	0.3
289.09738	1.2
291.10992	0.7
296.59769	0.3
317.09186	0.3
319.89014	0.3
335.10217	2.0
337.11874	1.8
352.10257	10.9
353.10684	0.3
363.09619	0.6
366.12177	0.5
381.10846	5.5
382.11026	0.3
390.22699	0.5
392.24008	0.5
410.10797	65.1
411.11044	2.7
435.50894	0.3
497.15567	0.9
499.16721	1.6
525.15118	0.4
543.16083	1.7
661.22937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88374	0.5
53.03939	2.0
55.01873	4.1
55.05264	0.5
55.05516	9.5
57.03442	6.5
59.04999	1.4
67.05507	10.7
69.03427	2.4
69.07081	2.8
71.04977	1.9
77.03926	0.8
79.05495	12.8
81.03423	30.7
81.07057	9.7
83.01337	2.9
83.04983	5.7
83.08624	9.3
85.02905	1.9
85.06533	0.9
91.05485	10.1
91.06052	0.7
93.07051	10.9
95.04975	10.0
95.08609	4.3
97.02918	1.6
97.06520	1.8
97.10170	4.6
99.04465	0.9
105.04489	0.6
105.07032	6.5
107.04951	5.1
107.08584	5.8
109.02912	0.7
109.06522	3.8
109.10165	2.4
111.04445	2.4
111.08070	2.2
115.05429	0.7
117.07044	3.4
119.04939	1.1
119.08579	7.7
121.06522	3.2
121.10146	4.5
123.04435	1.2
123.08099	3.5
125.09634	2.9
129.07013	5.1
131.04855	1.0
131.08582	4.9
133.06508	2.2
133.10118	2.3
135.08087	1.0
135.11699	4.5
137.09653	1.6
142.07777	1.2
143.08585	1.6
145.06499	1.2
145.10132	6.2
147.04395	1.0
147.08069	2.8
147.11766	2.8
149.06032	0.9
149.09616	2.2
153.12793	1.3
155.08554	1.3
157.10156	3.8
161.05989	2.4
161.09708	1.1
163.11188	7.8
171.08095	1.0
173.09673	2.3
175.11211	3.0
181.12288	1.4
187.11188	0.9
189.09108	0.9
189.11177	0.7
191.10649	1.4
193.12253	6.7
199.11253	0.6
201.12724	0.5
203.14233	0.5
205.12300	1.1
209.11755	2.1
227.10826	0.7
227.12828	1.9
229.12144	0.6
231.13831	1.5
249.14871	1.0
265.14337	1.1
267.15906	21.3
267.18750	1.1
268.16425	0.6
269.15378	0.8
271.13208	0.7
273.14822	2.4
283.15405	16.7
289.14374	2.8
312.64774	0.5
313.91647	0.6
337.21661	0.8
355.22546	1.3
365.21082	2.1
383.22156	11.5
384.22595	0.7
401.23154	5.5
416.78238	0.7
419.24319	2.3
431.24377	0.9
439.24741	1.6
457.25870	21.6
458.26248	1.5
475.26920	100.0
476.27240	7.9
493.28015	9.6
517.28198	1.6
542.59705	0.6
619.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08595	0.9
64.85706	0.9
65.03936	0.9
72.01566	1.0
79.05504	1.2
83.26159	1.0
85.02872	1.1
91.05497	1.7
91.50968	1.0
103.05476	16.9
105.07066	4.9
106.04163	1.3
107.04973	1.0
109.30387	1.1
115.05420	1.6
118.04129	4.2
119.04945	1.4
121.06529	2.3
122.75734	1.1
130.04149	2.2
131.04935	20.2
133.02855	1.3
133.06490	4.8
134.07314	2.5
135.08051	1.3
148.05223	8.2
149.05998	17.8
154.14922	1.1
161.05963	6.7
162.06750	4.2
163.07553	20.3
164.08260	2.5
166.00519	1.0
173.05978	1.9
176.04723	3.1
177.05290	1.5
181.04976	8.0
184.05002	6.7
185.04300	1.4
185.05759	3.1
191.07033	100.0
192.07623	2.8
193.08621	1.8
203.03189	4.3
215.06786	30.0
216.07440	1.2
219.06310	2.9
225.07591	2.0
231.06316	1.8
245.19612	1.1
247.05829	10.3
256.02509	1.0
336.09686	4.5
393.11603	4.8
409.11002	8.9
410.11929	1.9
439.13611	14.2
561.08630	1.9
561.17291	26.4
562.17438	1.7
573.54822	1.1
601.09204	2.0
601.18927	37.2
602.19025	2.4
723.22461	27.4
723.35486	2.0
724.23260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31530	0.8
53.03947	0.9
55.35108	0.8
65.03948	0.9
69.63941	2.2
69.64343	1.4
75.82722	0.7
77.03937	2.0
79.05495	5.2
91.05496	8.6
91.12515	0.7
93.07029	3.2
94.04214	4.0
95.04979	3.9
98.23503	1.1
103.05469	42.8
104.05784	1.3
105.04555	1.2
105.07034	22.6
106.04207	1.2
106.07452	0.8
107.04964	1.9
109.06522	3.5
109.37026	0.8
110.60668	1.0
119.04971	1.0
120.05735	2.9
121.06507	20.9
122.03658	6.7
131.04930	96.3
132.05266	1.6
133.06543	1.4
135.08055	64.7
136.08406	1.0
137.05981	100.0
138.06355	1.0
145.06430	1.3
146.03670	1.4
147.04439	2.6
149.05997	2.0
151.07555	3.1
159.08023	1.5
161.05992	8.2
163.07550	33.2
167.07124	1.2
174.06779	2.3
175.07553	1.6
177.05495	1.3
179.07082	1.7
185.05757	25.4
187.07568	1.1
205.16847	0.9
209.08115	2.4
233.09668	1.1
236.08434	1.1
236.68668	0.8
237.09102	1.6
251.10704	1.9
253.08537	1.1
253.12384	1.2
269.11694	1.6
271.13382	1.5
279.10257	6.0
280.10791	1.6
281.08041	1.0
281.11652	1.5
283.13565	1.2
295.10101	0.7
295.13272	15.8
296.10425	0.9
297.11319	1.1
304.28305	1.1
305.11465	1.2
311.12820	6.6
378.14435	1.4
419.18521	29.9
420.18979	1.5
441.16788	7.0
465.84158	1.0
472.63867	0.9
479.20459	1.7
501.18866	38.0
501.70264	1.0
502.19305	2.4
663.25079	3.1
723.27588	17.2
724.27252	1.8
748.57776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01878	0.5
55.05513	1.6
57.03434	2.0
61.02926	4.2
65.03927	0.3
67.05507	8.9
69.03432	2.3
69.07070	1.0
69.10420	2.1
69.50275	0.3
71.04995	0.6
73.02925	3.1
74.16459	0.3
76.29986	0.3
76.57413	0.4
79.05512	2.5
81.03432	1.8
81.07053	3.7
83.05003	0.4
83.08641	0.9
85.02905	4.3
85.06561	0.4
91.03967	2.8
91.05495	1.8
93.07053	2.1
95.04997	0.5
95.08614	1.8
96.85063	0.3
97.02895	4.0
97.06553	0.8
98.23515	0.7
99.04485	0.8
101.02396	1.1
105.07035	1.3
107.04989	0.3
107.08613	1.4
109.02889	0.7
109.06576	0.4
109.10163	6.4
111.08110	0.6
111.97547	0.3
112.28797	0.3
115.04004	0.4
117.07048	0.4
119.08575	1.7
121.10184	0.6
127.03928	1.2
131.08611	0.8
131.20883	0.3
133.10060	0.7
135.11710	0.8
145.04955	0.4
145.10153	0.5
147.11646	0.6
155.10704	0.6
159.11775	0.5
161.09592	0.4
165.37424	0.3
173.11789	1.5
174.41629	0.3
185.04315	0.9
195.09912	0.6
223.78296	0.3
229.14510	1.1
243.08397	2.6
251.12556	0.4
252.68701	0.3
322.11160	0.3
333.20129	1.5
413.17776	9.8
414.18417	0.7
439.19788	0.6
453.21021	1.1
469.20386	0.5
551.28308	3.8
625.31775	0.5
705.37817	0.5
723.39203	100.0
724.39832	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	723.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01888	0.3
55.05515	1.4
57.03439	2.1
59.05001	0.5
61.02921	4.1
65.03921	0.3
67.05505	8.1
69.03430	2.5
69.07074	1.6
71.05003	0.4
73.02927	2.5
79.05499	1.8
81.03423	1.6
81.07059	3.1
82.83027	0.2
83.04982	0.7
83.08598	0.3
85.02906	3.9
87.04478	0.5
91.03944	2.4
91.05478	2.2
93.07048	2.0
95.04971	0.8
95.08611	1.6
97.02896	3.1
97.06541	0.4
99.04463	0.6
101.02410	1.4
103.03988	0.4
105.07039	1.4
107.08623	1.2
109.02913	0.4
109.10158	6.4
110.10532	0.4
111.08109	0.3
115.03938	0.5
117.07008	0.4
119.08608	1.1
121.10160	0.5
127.03961	1.2
129.05562	0.4
129.13443	0.3
133.10150	0.5
135.11705	0.5
137.09612	0.5
147.11729	0.4
149.09642	0.3
159.11627	0.4
167.52206	0.3
173.11743	1.9
185.04301	0.8
195.10002	0.6
203.05354	0.4
229.14426	1.0
243.08371	2.5
251.12726	0.4
301.08905	0.5
308.13412	0.3
333.20483	2.0
389.23102	0.4
413.17801	10.2
414.18741	0.5
439.19330	0.9
453.21005	0.6
551.28302	3.6
552.29034	0.4
561.34143	0.4
611.30310	0.3
723.39209	100.0
724.39594	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	723.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82983	0.4
55.01874	0.5
55.05520	1.0
57.03433	0.9
57.07078	3.8
61.02925	3.9
67.05510	1.3
69.03439	2.8
69.07075	0.5
69.83823	1.0
69.84170	0.8
71.01347	0.5
71.05015	0.4
71.08632	2.2
73.02928	2.2
79.05519	0.8
81.03449	0.9
81.07055	2.4
83.08624	1.2
85.02901	3.6
85.10205	0.8
88.41228	0.4
91.03964	1.7
93.07056	1.4
93.94802	0.4
95.08603	2.8
97.02885	2.9
97.10170	0.6
98.22797	0.6
99.04466	1.0
100.73753	0.4
101.02399	1.4
107.08624	1.2
109.10136	0.9
117.07014	0.6
120.65144	0.4
121.10155	0.5
127.03922	1.1
135.11688	2.3
145.10182	1.1
147.96201	0.4
158.44498	0.4
163.11148	2.5
174.00235	0.4
181.12273	0.9
184.07394	1.3
219.10025	0.6
227.12804	2.2
243.08372	2.1
249.10956	7.2
275.72488	0.4
305.13638	2.2
306.23322	0.5
313.27478	1.0
315.28375	0.5
396.23734	0.4
467.18915	11.2
497.30768	5.5
525.68640	0.4
561.37695	0.7
723.42810	100.0
724.43365	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	723.429
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
50.74667	0.6
51.08852	0.6
53.03947	0.7
55.05510	1.4
57.03426	1.5
57.07062	0.7
61.02918	3.2
65.81123	0.7
67.05507	2.9
69.03422	1.8
69.07073	1.9
71.05008	0.7
71.08614	0.8
73.02913	3.4
79.05499	1.7
81.03438	3.0
81.07085	2.4
83.08618	2.6
83.78198	0.6
85.02902	5.4
91.03972	3.1
91.05487	1.9
93.07059	1.3
95.04972	1.5
95.08634	2.3
95.57614	0.6
97.02901	4.6
98.22676	2.4
99.04438	0.7
101.02390	1.4
105.07067	1.2
107.08605	1.1
109.10219	0.9
110.42562	0.7
119.08669	0.8
121.10165	1.8
127.03927	1.2
128.96455	0.8
129.06998	1.2
131.08644	0.8
133.10193	1.1
147.11681	0.9
153.12967	0.6
184.07457	2.4
185.04201	1.2
193.12332	2.1
211.13309	1.3
211.23297	0.6
215.73477	0.6
219.62672	0.8
243.08507	2.2
251.12668	2.9
307.15063	1.2
367.51297	0.8
469.20523	9.9
495.29318	4.9
545.29218	0.7
723.42822	100.0
724.43054	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	723.4291
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
53.03942	0.4
53.61778	0.2
55.01869	0.3
55.05514	1.3
57.03434	1.5
57.07069	0.2
58.03760	0.2
60.08158	0.2
61.02933	3.1
67.05508	2.2
69.03428	2.1
69.07067	1.6
69.09420	1.3
71.01357	0.4
71.04983	0.6
73.02918	2.5
78.41504	0.2
79.05514	1.2
81.03418	2.2
81.07059	2.8
83.05007	0.4
83.08625	1.8
85.02908	4.4
86.09714	0.6
86.22289	0.2
87.04475	0.3
91.03957	2.2
91.05482	1.4
93.07041	1.5
95.04957	0.9
95.08615	1.8
97.02896	3.0
97.06580	0.3
97.10172	0.6
98.23457	0.4
99.04475	0.6
101.02389	1.7
103.03970	0.3
105.07024	1.2
107.04968	0.4
107.08575	0.9
109.02878	0.6
109.06516	0.2
109.10176	0.7
111.08075	0.4
111.11742	0.3
115.03953	0.2
117.07056	0.3
119.08622	0.7
121.10161	1.1
123.08109	0.3
123.11726	0.4
125.00030	0.5
125.09643	0.3
127.03919	1.0
129.07019	0.5
131.08600	0.5
131.96304	0.2
133.10138	0.6
135.11729	0.6
147.11742	0.5
149.09714	0.3
157.10196	0.5
163.11177	0.3
165.12891	0.2
175.11209	0.4
184.07338	3.0
185.04292	0.6
185.07623	0.5
193.12285	1.0
203.05330	0.3
211.13301	0.4
215.26624	0.2
227.12920	0.2
237.22200	0.3
243.08360	1.8
251.12659	0.6
307.15149	0.4
311.25842	1.2
335.25732	0.4
469.20468	6.2
470.20883	0.4
495.29257	3.2
543.36218	0.3
561.37177	0.2
723.42871	100.0
724.43280	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	723.4289
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
55.05513	0.8
57.07081	2.1
61.02932	3.4
67.05505	1.5
69.03439	2.2
69.07049	0.9
71.05024	0.7
71.08639	2.5
73.02932	2.7
81.03427	2.2
81.07062	1.8
83.08613	1.7
85.02889	3.5
85.10185	1.4
91.03961	1.5
91.05527	1.2
93.07055	1.6
95.08613	1.8
97.02901	4.1
101.02391	1.7
109.10181	1.0
127.03934	1.3
135.11693	1.1
145.10144	1.0
163.11134	1.1
184.07375	1.1
243.08405	1.5
362.30573	2.3
389.97684	0.7
467.18900	6.9
497.30743	2.4
723.42828	100.0
724.43158	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	724.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01872	0.8
55.05515	5.0
56.99403	0.2
57.03444	0.4
57.07064	0.5
61.02938	0.6
65.03952	0.5
67.05515	1.5
69.03434	3.8
69.07074	9.5
69.26989	1.0
70.06586	0.5
71.04988	0.8
73.02936	0.6
77.03924	0.4
78.04742	0.3
79.05502	1.7
81.03419	2.7
81.07063	4.9
81.47456	0.2
83.04974	0.8
83.08624	3.1
84.08150	0.9
85.02396	0.6
85.02912	8.9
85.06536	0.2
87.00833	4.2
87.04433	0.2
91.03932	0.3
91.05485	5.7
93.07050	3.7
95.04987	0.5
95.08017	0.4
95.08614	6.5
97.02892	3.7
98.23492	0.4
99.04473	0.9
99.08087	0.3
103.05484	0.8
104.06242	0.3
105.01148	0.4
105.01873	7.1
105.07039	16.3
107.08599	9.4
109.02899	2.7
109.06488	0.6
109.10180	1.6
114.95621	0.2
115.03924	0.9
115.05453	0.3
117.01862	0.4
117.07038	2.7
119.08588	60.2
120.08924	0.8
121.10152	4.5
123.04398	0.3
127.03921	6.0
129.07039	0.3
131.08559	1.7
133.10135	28.4
134.10452	0.6
135.11700	4.2
136.11223	1.1
137.09644	0.3
138.12776	0.5
145.05000	2.2
145.10135	1.6
146.10965	0.4
147.11693	4.0
157.10060	0.4
159.02893	0.9
159.11768	0.4
160.12460	0.8
161.09521	0.3
161.13263	1.0
163.03889	0.4
167.25076	0.3
173.13278	1.4
175.14828	100.0
176.15196	2.1
177.16321	1.2
189.03932	0.4
193.15891	5.9
193.17529	0.4
197.13333	0.4
213.04047	0.3
217.15923	0.3
222.14883	0.6
231.04956	2.3
247.26282	0.3
249.06094	2.9
301.09363	0.3
301.17969	0.3
318.17047	1.9
319.10394	0.6
319.17456	1.2
320.18558	5.0
321.18951	2.7
335.14792	0.4
350.97549	0.3
379.56503	0.3
388.21219	0.3
404.20673	2.6
405.20996	2.6
406.22202	0.7
423.19937	0.6
452.67975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01864	0.9
55.05507	1.5
65.03953	0.6
67.05502	1.3
69.03431	4.4
69.07073	2.8
70.06584	1.0
71.04987	0.6
71.45100	0.3
73.02922	0.3
74.88601	0.4
79.05486	1.1
81.03400	1.0
81.07059	2.0
82.06586	0.6
83.07357	0.8
83.08618	0.5
84.08141	2.6
85.02917	2.5
87.00833	0.9
91.05482	2.3
93.07041	1.3
94.06555	0.5
95.04971	0.7
95.08611	1.7
96.08121	1.9
97.02895	1.2
98.09689	0.5
99.04432	0.4
100.11222	0.7
105.01867	1.5
105.07034	5.1
106.06538	0.5
107.04914	0.5
107.08598	2.6
108.08142	0.5
109.02880	1.0
109.10136	0.6
110.09670	0.4
114.66841	0.3
115.03883	0.4
115.05479	0.6
117.07006	1.2
119.08588	15.9
120.08099	0.9
120.08899	0.3
121.06534	0.5
121.10144	1.3
122.06032	1.6
122.09702	0.5
123.04442	0.5
124.11223	0.5
125.11849	0.4
126.65727	0.4
127.03905	2.5
128.10704	0.5
129.07005	0.9
131.08571	0.8
133.10129	8.1
134.09624	0.4
135.04433	0.4
135.11699	0.9
136.07596	3.3
136.11191	2.0
137.05988	0.7
138.12793	6.4
139.03908	0.6
145.04970	0.4
145.10104	0.4
147.07971	0.5
147.11676	1.0
153.01894	0.6
154.12285	0.3
157.10104	0.5
159.08176	0.4
162.09198	1.0
162.12796	1.5
163.03923	0.9
164.07066	7.0
164.14372	0.7
165.05441	0.4
173.09659	0.3
174.12793	0.5
175.14824	28.2
176.14334	1.2
176.15405	0.4
182.08127	8.0
185.09601	0.6
189.09109	0.6
190.12341	0.5
193.04909	0.4
193.15869	1.3
204.13837	12.0
205.14310	0.7
207.06622	0.5
213.09158	0.5
219.06499	0.4
222.14806	2.0
223.15097	0.6
231.04953	0.5
232.08023	0.3
232.17062	0.3
232.69788	0.3
247.09833	0.3
249.06029	0.7
273.11328	0.6
273.91379	0.3
278.17755	0.5
279.08279	0.4
287.05530	0.3
291.12320	2.5
292.12540	0.4
293.73169	0.3
318.16940	2.7
319.17303	3.0
320.18539	18.1
321.18863	13.8
323.05579	1.1
386.19550	5.2
387.20389	0.4
404.20673	100.0
405.21011	11.5
406.21945	0.6
438.79974	0.4
447.08524	0.4
497.10754	0.4
631.81665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01861	2.0
55.05508	8.1
57.03439	9.7
58.68152	0.9
65.03925	0.9
67.05507	13.2
69.03423	2.9
69.07069	3.8
70.27546	0.8
70.27875	1.0
71.04991	2.5
79.05500	17.3
81.03419	67.8
81.07057	14.4
83.04993	6.4
83.08624	17.3
85.02901	8.8
91.04598	0.7
91.05479	18.1
92.68465	0.7
93.07045	10.4
95.04969	22.7
95.08604	7.5
97.02891	2.2
97.06522	1.8
97.10174	4.6
105.04505	0.8
105.07030	14.2
107.04942	5.8
107.08604	5.7
109.06504	2.9
109.10140	2.8
111.04449	2.0
111.08072	6.9
112.47033	0.6
112.52888	0.7
113.06005	1.2
115.05457	1.1
117.07010	2.3
119.08584	12.5
121.06499	3.4
121.10172	5.6
123.04398	1.0
123.08057	2.0
123.11706	1.1
125.09630	3.3
129.07004	8.7
131.08554	9.0
133.06508	2.5
133.10129	6.5
135.08041	1.1
137.09657	1.7
142.07762	2.2
143.08546	1.1
145.06499	3.3
145.10123	2.5
147.08069	3.8
147.11674	9.3
149.09604	6.4
155.08565	1.3
157.10110	11.5
159.07944	0.9
161.09596	1.0
163.11201	1.7
165.12772	2.1
170.93788	1.1
171.11699	1.1
172.26353	0.7
173.06079	1.0
175.11180	10.7
187.14651	0.7
189.11197	1.1
193.12242	29.6
195.11612	0.9
197.09560	0.9
197.13287	0.9
205.12212	0.8
211.11368	0.8
211.13260	14.6
211.15089	0.9
215.02525	0.7
229.14388	0.7
233.15402	1.9
247.72371	0.8
248.07588	0.7
249.14900	1.7
255.13806	1.8
267.15909	100.0
268.16217	2.7
273.14847	3.1
285.16962	15.9
323.18353	0.9
339.23199	1.2
341.20978	1.5
349.21579	2.1
357.24539	1.0
367.22684	8.7
385.23822	9.6
393.35791	0.9
403.24677	2.5
415.24878	0.8
433.25854	14.7
441.26334	6.8
459.27417	77.2
460.28049	4.2
470.29944	0.7
477.28479	46.2
478.28702	1.8
501.28867	1.2
519.29181	1.9
585.31110	1.1
603.31787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.9
57.07076	0.2
58.06351	0.2
58.06627	0.4
59.07404	0.2
60.08164	6.4
67.05504	0.7
69.07094	0.2
71.07373	3.2
71.08610	0.1
79.05500	0.2
80.31559	0.1
81.03416	0.3
81.07060	0.5
83.08617	0.1
83.48193	0.1
85.02932	0.1
86.09707	30.0
87.10042	0.3
91.05484	0.2
93.07051	0.3
95.08630	0.5
97.10152	0.1
98.98459	3.1
104.10742	2.3
105.07047	0.3
107.08614	0.1
109.10178	0.2
119.08566	0.2
121.10160	0.3
125.00003	19.8
143.01065	0.3
149.13252	0.1
167.37511	0.1
184.07341	100.0
185.07689	1.1
186.07983	0.1
224.39151	0.1
267.15915	0.2
273.25595	0.1
291.26810	0.3
365.30618	0.1
432.21237	0.1
496.34174	0.2
612.62164	0.1
688.45459	9.4
689.46167	0.8
724.36987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05505	0.8
57.03434	1.0
59.05003	0.9
61.02930	3.2
67.05509	2.7
69.03429	2.2
69.07067	0.9
69.87848	0.7
69.88246	0.8
71.01352	0.5
71.04980	1.5
71.36880	0.3
73.02917	2.5
79.05485	3.7
81.03420	3.6
81.07058	2.8
83.04958	0.7
83.08629	1.2
83.66146	0.3
85.02910	3.5
85.06580	0.6
87.04514	0.3
91.03955	2.5
91.05488	3.4
93.07052	3.0
95.04970	2.1
95.05505	0.4
95.08622	1.6
97.02899	3.3
97.06535	0.9
98.95780	0.4
99.04435	0.5
101.02424	1.4
103.03964	0.3
105.07014	2.1
107.04970	0.8
107.08582	1.6
109.02886	0.8
109.06525	0.7
109.10171	0.5
117.07006	0.4
119.08572	1.9
121.10144	1.8
123.08061	0.4
123.11768	0.4
127.03950	1.0
129.07050	1.5
131.08594	1.0
133.10155	1.4
142.07709	0.4
147.07983	0.4
147.11696	2.3
149.09654	1.9
157.10181	1.0
165.09082	0.5
171.11739	0.8
175.11264	1.0
193.12306	1.4
197.15414	0.3
202.55460	0.4
207.13907	0.6
225.15152	0.3
243.08372	2.0
247.13187	1.1
267.16010	1.1
281.17538	0.4
283.15121	3.1
303.15662	0.4
339.17987	1.0
465.20908	7.5
501.23065	11.6
502.23642	0.7
559.97766	0.4
563.32538	0.9
654.72278	0.4
725.37170	100.0
726.37701	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	725.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01880	0.6
55.05516	1.4
55.44811	0.3
57.03438	2.2
61.02932	4.5
62.06138	0.2
65.03935	0.4
67.05499	4.9
67.05817	0.4
68.05867	0.3
69.03429	3.5
69.07071	1.5
70.61118	0.5
71.01394	0.3
71.05011	1.2
73.02925	3.8
79.05505	4.0
81.03418	5.9
81.07059	3.4
81.07426	0.3
83.01353	0.5
83.04992	1.8
83.08643	1.9
85.02905	7.6
85.06564	0.3
87.04460	0.4
91.03967	2.7
91.05491	4.0
93.07056	3.3
95.04982	2.7
95.08612	2.4
97.02899	4.3
97.06563	1.0
97.10210	0.7
99.04478	1.0
101.02380	1.7
103.32191	0.4
105.07034	2.9
107.04987	1.2
107.08593	1.7
109.02885	0.6
109.06530	0.7
109.10151	2.0
109.19094	0.3
110.10399	0.3
111.04519	0.3
111.08110	1.0
113.06042	0.4
117.07058	0.6
119.08585	3.5
121.06555	0.7
121.10156	1.5
123.08121	0.6
123.11815	0.4
125.09644	0.6
127.03915	1.4
129.07025	1.3
131.08618	1.2
133.06558	0.4
133.10127	2.1
135.08038	0.5
135.11725	0.7
137.09660	0.4
142.36089	0.3
143.08621	0.4
145.04996	0.4
145.10170	0.8
147.08189	0.3
147.11662	1.8
149.09613	0.6
153.87993	0.3
157.10220	1.2
159.11719	0.3
161.09656	0.3
161.13187	0.3
163.11240	0.8
173.09689	0.4
175.11279	1.2
175.14842	0.4
184.57411	0.3
185.04166	0.7
185.13353	0.3
193.12238	1.8
211.13326	1.4
221.15540	0.8
227.12752	0.4
229.14400	0.3
243.08437	2.8
251.12624	0.8
267.16025	1.3
268.16354	0.4
279.15833	1.1
283.15674	0.4
285.16940	0.7
366.23593	0.4
421.26077	0.6
429.26740	0.3
447.27432	4.6
459.24454	0.4
460.27753	0.7
467.19238	0.5
469.20456	9.3
470.20856	0.4
478.28989	0.7
497.23584	4.2
510.27945	0.4
555.30695	0.4
725.37201	100.0
726.37506	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	725.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
66.51526	0.2
67.05503	0.6
69.03429	2.9
70.06596	3.2
71.05009	0.8
71.44694	0.2
79.05492	0.6
79.67732	0.2
80.05038	0.3
81.03385	0.2
81.06709	0.1
81.07056	3.5
82.06565	0.2
84.08131	0.6
91.05482	0.5
93.07056	0.5
94.06551	0.2
95.04982	0.2
95.08594	0.6
96.05781	0.2
96.08123	0.7
97.02908	0.8
97.06515	0.2
97.08926	0.4
99.04420	0.2
105.07028	0.5
105.85193	0.2
107.08605	1.7
108.08128	0.3
109.06518	1.8
109.08920	0.2
110.09672	0.8
111.08088	1.3
111.10496	0.2
119.08572	0.4
120.08116	0.2
122.09691	1.0
123.08116	0.9
124.08851	1.7
124.11207	0.4
129.10333	0.2
131.08615	0.4
133.10081	0.2
134.09619	0.3
135.08051	0.8
136.11214	1.3
137.05980	14.4
138.06367	0.3
138.12790	0.3
144.15604	0.2
145.10120	0.4
146.06000	0.5
147.06349	0.4
148.11171	0.4
150.09143	0.7
152.10754	0.4
154.12267	0.3
159.97449	0.2
162.12766	0.9
164.14453	0.4
166.15900	0.4
168.10258	0.4
170.11771	0.3
173.09758	0.2
175.11151	0.4
178.15892	0.2
180.13953	0.2
182.11795	2.1
184.13338	1.6
185.09601	0.2
187.11061	0.2
190.15950	0.4
192.06557	0.8
192.13757	0.2
192.17490	0.4
192.25191	0.2
199.20660	0.2
203.10689	0.4
208.13516	0.2
215.28381	0.2
218.15407	0.2
219.10162	0.3
221.11732	4.2
226.73882	0.2
236.16451	4.4
250.14452	0.3
254.17577	0.4
264.19604	2.6
278.17548	0.4
282.20993	0.2
290.17618	0.7
292.19049	3.6
296.06116	0.2
310.20145	0.9
316.19046	4.2
317.19516	0.2
318.17014	0.8
321.23410	0.2
322.21964	0.2
354.11902	0.2
390.22757	17.8
391.23145	0.7
408.23792	100.0
409.24130	4.8
418.22040	1.6
499.92520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05520	0.4
58.06606	0.3
67.05518	0.6
68.05027	0.2
69.03435	3.6
70.06593	5.0
70.06937	0.4
70.43285	0.2
70.77765	0.2
71.05000	1.9
79.05511	0.9
80.05032	0.5
81.07059	4.5
81.07495	0.5
82.06571	0.3
83.04994	0.4
84.08163	2.0
91.05502	0.7
93.07083	0.9
94.06589	0.5
95.04993	0.6
95.08638	1.1
96.05787	0.4
96.08150	1.0
97.02920	0.8
97.06571	0.3
97.08894	0.3
99.04469	0.7
105.07027	1.1
107.08611	1.9
108.08124	0.5
109.06512	2.2
110.09669	1.5
111.04469	0.5
111.08075	1.9
119.08576	0.6
120.08103	0.6
121.10229	0.2
122.09665	1.8
123.08080	0.9
123.10546	0.3
124.08834	1.9
124.11266	0.7
125.05991	0.5
125.09579	0.2
131.08565	0.5
133.10173	0.5
134.09634	0.3
135.08070	0.9
135.10464	0.4
136.11208	3.2
137.05981	16.3
138.06303	0.3
138.12785	0.2
143.08614	0.3
145.10130	0.6
147.08093	0.3
147.11746	0.3
148.11191	0.3
150.09138	1.6
150.12769	0.2
152.10771	0.7
154.12323	0.3
157.10185	0.3
161.09668	0.5
162.12828	1.1
164.14395	1.0
166.12309	0.3
166.15918	1.1
168.10164	1.5
170.11806	0.4
177.05481	0.3
179.16669	0.3
182.11778	3.3
184.13313	1.5
185.09500	0.2
190.15959	0.5
192.17476	0.5
194.15392	0.7
196.13303	0.5
201.05630	0.3
203.10643	0.3
208.13351	0.3
218.15422	0.5
219.10086	0.3
220.13332	0.8
221.11720	4.7
222.14903	0.4
234.14801	0.6
236.16446	5.9
236.18665	0.4
237.16753	0.3
246.18457	0.3
250.14503	0.4
254.17801	0.3
262.14352	0.3
262.18057	0.4
264.19562	3.0
274.17917	0.6
278.17590	0.8
290.17487	1.6
292.19055	5.0
295.65540	0.2
296.06302	0.4
308.18555	0.5
310.20029	1.2
316.19046	5.4
318.17032	7.3
319.17404	0.3
320.17950	0.3
323.05725	0.3
336.18063	14.1
337.18369	0.8
388.21249	0.6
389.21756	0.3
390.22745	69.2
391.23123	4.5
393.95117	0.3
404.20828	0.3
406.22281	1.2
407.22522	0.8
408.23795	100.0
409.24091	6.1
410.71265	0.3
418.22232	2.4
419.22766	0.3
436.23312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04275	0.1
55.01874	0.2
63.45633	0.1
67.05498	0.4
68.58925	0.1
69.03428	2.9
70.06597	1.2
79.05479	0.3
79.07100	0.1
80.05016	0.3
81.07069	0.4
81.85242	0.1
82.06555	0.1
84.08149	0.7
85.02915	0.2
91.05468	0.4
93.07047	0.2
94.06567	0.6
95.04981	0.2
95.08601	0.5
96.08130	0.5
97.02898	0.2
97.73549	0.1
99.04489	0.2
103.05461	0.2
105.07001	0.4
107.08600	0.1
108.08136	0.1
110.09679	0.4
111.08082	13.8
112.08385	0.2
117.07052	0.2
119.04902	0.1
119.08595	0.4
121.06486	0.2
121.08904	0.1
121.10153	0.1
122.09652	0.9
124.11242	0.3
125.05986	0.3
125.09582	0.2
131.04924	0.7
132.05725	0.7
133.02878	0.2
134.09671	0.2
135.04410	0.2
136.11194	0.5
137.05969	0.1
138.12758	0.2
139.07504	0.2
140.10643	0.3
145.02846	0.1
145.10051	0.1
147.11693	0.3
148.11224	0.1
149.05980	0.2
150.09138	1.0
152.10709	0.5
155.03406	0.1
159.04407	0.2
160.05191	0.3
160.11151	0.2
161.05905	0.2
163.03912	0.3
163.07529	0.3
164.14322	0.2
167.07005	0.6
168.10222	0.7
170.11772	0.5
173.09703	0.1
174.12814	0.3
175.11179	0.7
177.05534	0.6
177.15045	0.1
179.07031	0.4
180.07794	1.0
180.13841	0.4
182.11771	2.3
187.03912	0.6
188.14418	0.2
191.07068	1.0
191.08577	0.2
192.07787	2.9
193.08376	0.4
206.11868	0.1
206.13673	0.2
206.15401	2.2
207.06537	0.2
208.13300	1.0
209.08141	0.3
210.08821	0.2
216.13867	0.3
224.16542	0.2
234.14882	12.4
235.15242	0.5
236.16371	0.1
238.14496	0.2
247.07538	0.1
250.14404	0.2
262.18085	0.4
272.16562	0.2
274.17944	0.2
280.19080	1.7
290.17563	0.3
308.18546	100.0
309.18869	4.9
320.18469	0.2
341.10266	0.6
344.18564	0.1
346.20132	0.4
353.10077	0.6
371.11270	1.6
372.11700	0.2
372.21793	0.2
374.23227	0.4
390.22739	0.5
406.22290	0.3
418.22232	9.3
419.22656	0.7
457.57312	0.1
534.24457	0.2
632.19281	0.1
680.19910	0.2
725.39600	0.2
726.31097	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.7
70.06585	0.8
70.66557	0.1
70.71126	0.1
70.96540	0.2
71.04980	0.4
71.49579	0.2
79.05449	0.4
80.05017	0.2
81.07040	1.0
82.04128	0.2
82.06573	0.2
84.08141	5.1
86.06032	0.2
91.05460	0.2
93.07007	0.3
95.04965	0.2
95.08577	0.3
96.05717	0.2
96.08096	0.8
97.02878	0.5
97.08883	0.5
99.04433	0.2
107.08604	1.4
109.06483	0.7
110.09641	0.6
111.08080	2.0
112.07607	0.2
116.69157	0.2
119.08549	0.2
120.08069	0.4
121.06493	0.2
122.07243	0.3
122.09643	1.1
123.08070	1.0
123.10437	0.2
124.08855	2.1
125.06004	0.2
129.40300	0.2
134.09615	0.5
135.08022	0.5
135.10373	0.3
136.11235	0.3
137.05972	8.4
138.09126	0.2
150.09126	0.3
151.07483	0.2
153.67903	0.2
160.11043	0.2
162.12827	0.2
163.13460	0.1
164.14320	0.7
165.09082	0.2
168.10187	0.3
174.12793	1.3
175.07527	0.2
175.11136	0.6
178.12257	0.3
182.11737	0.4
184.09683	0.3
192.13802	0.9
193.14574	0.6
203.10629	0.6
207.06270	0.2
219.10168	1.4
221.11722	4.7
234.14888	0.4
241.74803	0.2
247.87212	0.2
262.18076	0.6
272.16489	0.2
276.15967	0.2
289.54117	0.2
290.17484	80.1
291.17795	3.3
292.19046	0.3
320.18530	0.3
388.21173	7.0
389.21280	0.4
390.22763	0.3
394.90726	0.2
400.84671	0.2
406.22211	100.0
407.22565	6.5
418.21872	0.2
544.30530	0.2
641.80017	0.2
721.59448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	1.7
79.05489	0.9
81.07059	4.8
82.06580	0.9
83.07346	0.5
84.08144	9.1
85.08454	0.3
91.05450	0.3
92.02084	0.3
93.07012	0.5
95.08611	0.5
96.08131	16.4
96.31924	0.3
97.08918	3.3
109.06542	1.5
110.09679	4.4
111.04426	0.3
111.08073	4.4
117.07039	0.3
120.31712	0.3
122.09669	0.9
124.11234	0.7
131.04919	0.4
132.05739	0.5
136.11183	0.5
137.05980	8.1
137.11977	0.8
138.12772	4.0
139.13548	3.4
140.14378	0.8
150.09175	0.4
152.10704	0.3
163.03914	0.7
164.14377	3.6
166.15881	0.5
177.05461	0.5
179.19794	0.3
180.07744	0.4
180.13962	0.3
182.11775	0.9
185.70825	0.3
187.03926	0.4
192.07848	1.2
206.15419	0.7
207.06479	0.5
208.13293	0.5
211.82309	0.3
225.15884	0.3
234.14865	4.2
247.09612	0.3
248.16589	0.3
248.20119	0.3
249.11320	0.6
258.18451	0.3
276.19583	100.0
277.19986	3.0
280.19125	0.6
292.19052	0.8
308.18561	33.6
309.18808	1.2
334.20218	0.4
344.18713	1.0
371.11139	0.6
418.22281	3.9
419.22675	0.6
432.23672	2.1
450.24872	9.2
568.56702	0.3
601.25647	0.3
726.31097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01866	0.5
55.05508	1.1
57.03436	1.8
57.07076	2.8
61.02631	0.4
61.02927	5.8
63.97331	0.2
65.03935	0.2
67.05500	1.9
69.03430	2.6
69.07068	1.0
70.06621	0.2
71.01358	0.5
71.04988	0.8
71.08629	2.0
73.02927	3.6
79.05468	1.3
81.03417	3.2
81.07056	3.2
83.04988	0.6
83.08628	2.1
85.02909	6.0
85.09764	0.2
85.10182	1.5
87.04482	0.7
91.03956	4.1
91.04491	0.3
91.05482	2.0
93.07019	1.2
95.04961	1.3
95.08607	2.8
97.02893	4.7
97.06544	0.4
97.10180	0.6
99.04467	0.7
101.02366	1.9
103.03939	0.6
105.07022	1.4
107.04953	0.3
107.08620	0.6
109.02892	1.0
109.10121	1.1
111.08092	0.7
115.03949	0.5
119.08592	1.1
121.10179	0.5
123.08126	0.3
123.11695	0.5
127.03927	1.6
129.07031	0.7
131.08580	0.7
133.10109	1.5
133.78264	0.2
145.04939	0.5
147.11717	0.9
149.09689	0.3
157.10114	1.1
175.11201	0.7
185.04272	1.0
193.12259	1.7
203.05365	0.6
211.13313	0.9
224.27934	0.2
234.11809	0.3
243.08426	2.7
251.12543	1.6
251.14958	0.3
257.24808	0.3
267.00995	0.2
285.16995	0.4
307.15259	0.7
313.27368	1.6
338.94162	0.2
469.20447	10.5
470.20758	0.6
497.30765	6.1
529.38794	0.5
544.48077	0.3
563.39606	0.4
725.44415	100.0
726.44763	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	725.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05504	0.8
57.03443	2.7
57.07077	4.7
61.02921	7.3
67.05495	3.3
68.12991	0.7
68.68710	0.7
69.03423	5.5
69.07066	1.3
70.10006	1.5
71.01349	0.8
71.04996	0.9
71.08635	2.6
73.02921	6.3
74.36246	0.7
78.06310	0.7
79.05497	1.9
81.03420	7.1
81.07054	3.2
83.04985	1.0
83.08632	3.3
85.02908	8.8
85.10190	2.0
91.03939	3.3
91.05482	1.3
93.07063	1.0
95.04974	2.4
95.08621	3.7
97.02888	6.7
97.10175	1.1
99.04459	1.1
101.02395	3.0
101.52308	0.6
105.07054	2.0
107.04972	0.9
107.08593	1.3
109.02898	2.2
109.10180	1.7
111.08085	1.6
119.08629	0.8
121.10194	1.3
123.11737	1.2
127.03915	2.0
133.10127	0.7
147.11684	1.4
157.10228	0.7
160.11252	1.4
171.33694	0.6
175.11208	1.5
185.04279	1.1
193.12263	4.0
211.13324	2.4
221.11656	0.8
243.08478	3.6
251.12463	5.5
258.08994	1.2
264.48407	0.6
285.17041	0.9
307.15466	1.6
313.27518	1.7
368.55954	0.7
469.20477	17.1
497.31012	7.7
563.39111	1.0
725.44379	100.0
726.44714	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	726.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94131	0.2
55.05517	1.0
56.05050	0.4
57.03455	0.3
65.03957	0.6
67.05511	1.7
68.05022	0.7
69.03429	4.5
69.07079	0.6
69.23801	1.7
70.06595	1.4
79.05486	2.9
80.05022	0.9
81.05791	0.5
81.07053	0.8
82.06591	1.2
83.04977	1.1
83.07339	0.6
84.08130	0.6
85.02936	0.4
86.06080	1.1
86.09718	0.5
91.05480	2.4
93.05791	0.4
93.07047	2.1
93.12893	0.3
94.06584	0.7
95.04946	1.8
95.08633	0.9
96.08130	5.5
98.06078	0.5
98.09721	1.2
100.11260	1.5
105.07050	1.2
106.06555	0.6
107.04972	0.6
107.08595	0.5
108.08141	0.5
109.02920	0.4
109.06519	0.5
109.10157	0.4
110.09735	0.3
111.04462	0.7
111.08117	1.1
117.07063	0.9
118.06553	0.4
119.07307	0.4
119.08593	2.2
120.08110	3.1
121.06516	0.8
121.10172	0.7
122.09711	0.6
124.11276	0.5
126.09197	0.6
128.10757	0.9
131.08609	1.1
132.08025	0.3
133.06503	0.4
134.09680	1.2
135.04439	0.8
135.06842	0.3
135.08099	0.3
136.07611	0.5
136.11208	3.7
137.05995	0.5
138.12778	11.6
142.07755	0.3
145.06480	0.5
145.10109	0.5
146.09674	0.4
147.08083	0.5
148.07605	0.7
148.11256	0.5
149.06024	0.8
149.08430	0.5
149.09601	3.0
151.03981	0.4
151.07567	0.3
152.10704	3.9
153.05557	0.4
154.12317	0.3
155.08409	0.3
159.08101	0.5
159.11711	0.3
160.11255	0.4
161.05972	1.9
161.09691	0.4
162.09183	1.0
162.12866	0.9
163.03984	0.4
163.07501	0.4
164.10764	0.4
166.12338	0.7
173.06024	0.7
174.12833	0.3
175.03870	0.5
175.07571	4.2
175.11253	0.4
176.10759	0.5
176.14348	7.7
177.05565	0.6
177.09093	1.6
177.14902	0.3
178.15900	0.6
187.03976	0.7
187.07492	0.4
188.14418	0.6
189.05499	2.1
190.12291	0.6
191.07095	0.5
201.05365	1.5
203.07074	0.6
204.13847	1.5
205.04982	0.6
205.14661	0.6
206.15454	0.9
206.19206	0.4
207.06676	0.4
217.04973	2.5
227.06929	0.3
229.04939	0.7
232.17027	0.6
234.14995	0.9
234.18471	1.4
235.06081	0.4
245.04498	1.0
249.09074	0.3
262.18054	2.0
264.11472	0.3
265.08560	0.3
267.10291	0.4
277.60931	0.3
291.10214	0.4
307.13504	0.3
308.18570	4.9
309.18839	2.9
321.14859	0.3
418.22412	0.8
419.22467	0.6
508.23566	0.8
534.21082	0.3
552.22314	29.7
553.22583	2.1
664.27826	1.1
680.26935	9.0
681.27362	0.6
708.26404	12.5
709.26605	1.0
726.27515	100.0
727.27881	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	726.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22334	0.4
52.75129	0.4
53.03950	2.8
55.01663	0.4
55.01876	4.4
55.05512	3.4
57.03447	2.9
57.07071	1.0
57.11056	0.4
61.02920	2.6
62.88445	0.4
65.03960	0.5
67.05508	3.6
68.99795	1.2
69.03065	0.8
69.03433	15.4
69.07069	6.9
70.06561	0.4
71.04998	2.7
73.02921	3.3
79.05495	3.7
81.02959	0.8
81.03423	13.8
81.07061	9.6
83.01347	0.4
83.05009	1.0
83.08623	5.0
85.02910	39.7
85.06534	1.1
87.00835	17.6
87.04485	0.6
91.03942	0.5
91.05470	3.2
93.07048	10.0
95.04968	2.0
95.08611	23.1
96.01066	0.4
96.08158	0.6
96.08920	0.5
97.02897	15.2
97.10194	3.1
99.04461	6.4
99.08096	5.3
103.03962	0.9
103.05494	0.5
104.51698	0.4
105.01144	0.8
105.01868	21.7
105.07048	3.8
107.08598	28.3
108.04473	0.7
109.02886	18.6
109.06525	0.8
109.10165	5.8
109.26572	0.5
111.04462	0.7
111.08051	2.8
113.09639	0.8
115.03934	0.9
117.01842	1.7
117.07034	0.8
119.08577	3.5
121.06513	0.7
121.10151	45.4
122.10477	0.9
123.04424	0.6
123.08117	0.6
123.11727	3.8
125.09637	1.6
127.03921	33.9
128.04245	0.6
129.01836	2.2
133.10130	2.9
135.11696	13.5
137.13249	3.2
138.12756	0.7
142.12262	1.3
143.08591	0.9
145.04965	11.2
145.10109	1.6
147.02870	1.2
147.11700	1.2
149.13257	3.2
151.03929	0.6
159.02893	6.8
159.11778	0.6
160.11258	0.5
161.13292	0.8
169.05025	1.0
173.13194	0.8
175.14844	2.6
177.03954	0.5
177.16389	100.0
178.16719	3.8
179.18054	0.5
183.11688	0.5
185.13243	0.5
187.14815	1.6
189.03944	1.8
193.15918	0.7
195.17465	17.3
196.17857	0.9
199.14803	0.5
207.17458	0.6
209.13185	0.7
211.14900	0.5
213.03955	6.9
213.16570	0.5
213.18495	10.2
219.17564	1.2
225.16505	0.5
227.14333	0.6
231.05011	12.9
231.17239	0.5
243.17451	0.7
249.06075	6.3
267.17538	1.0
273.06064	4.6
278.17514	0.6
285.18564	1.8
293.30902	0.5
303.19504	1.2
306.16837	0.6
315.07071	0.8
321.06180	0.6
339.07190	2.1
357.08057	1.4
371.18634	0.4
389.19617	1.6
406.22177	0.9
407.20609	3.2
425.06781	0.5
425.21777	2.7
443.08255	1.2
443.22580	1.2
450.21106	0.9
461.09036	3.0
479.10339	1.7
552.21967	0.6
726.29346	5.0
750.13489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03847	0.6
53.04053	0.5
55.01736	1.3
55.02029	1.0
55.05375	3.6
55.05680	2.6
57.03296	3.0
57.03623	2.0
59.04904	0.6
61.02814	0.8
61.03067	0.7
67.05752	9.0
69.03272	2.1
69.06905	2.9
69.07331	1.2
71.01187	0.5
71.04833	7.3
71.05270	2.8
73.02791	0.8
73.03130	0.6
79.05317	8.2
79.05840	2.5
81.03244	13.9
81.03786	4.0
81.06881	8.5
81.07413	2.4
82.03606	0.4
82.07262	0.6
83.04803	2.8
83.05341	1.0
83.08444	5.1
83.09003	1.5
85.02734	2.6
85.03278	1.1
85.06358	1.4
85.06830	0.6
91.03815	1.0
91.05299	10.8
91.05936	2.3
93.06855	8.5
93.07522	1.8
94.76028	0.5
95.04778	8.9
95.05462	1.8
95.08422	6.9
95.09099	1.4
97.02693	2.3
97.06338	3.2
97.09971	2.5
97.10647	0.8
101.02245	0.5
103.03799	0.5
105.06832	6.2
107.04746	5.5
107.08395	6.3
107.09165	1.1
109.02732	0.9
109.06320	5.8
109.07119	0.8
109.09953	16.6
109.10779	2.5
110.10395	0.6
111.04309	1.0
111.04977	0.4
111.07864	2.0
115.05291	0.5
117.06821	3.1
119.08374	8.3
119.09297	1.2
120.08710	0.6
121.06299	6.0
121.07243	0.8
121.09939	3.2
123.04282	0.4
123.07866	1.9
123.11523	0.7
125.09415	3.1
127.03762	1.1
128.06099	0.5
129.05347	0.5
129.06778	2.9
131.04779	0.6
131.08356	5.2
133.06247	1.4
133.09912	3.9
135.07837	3.3
135.11476	4.3
137.09399	3.9
139.11018	0.9
141.06856	0.8
142.07611	0.5
143.08351	1.6
145.06261	2.2
145.09904	3.8
147.07820	2.3
147.11472	2.3
149.09378	2.0
151.11032	0.6
155.08371	0.6
155.10500	1.0
157.10121	3.2
159.04324	0.5
159.07866	0.8
159.11467	1.5
161.09361	1.4
161.12930	0.5
163.11147	3.2
165.12601	0.6
167.08270	0.5
167.10539	0.8
169.09937	0.7
171.11508	0.7
173.11520	2.4
173.13065	1.8
175.10945	3.1
175.14476	0.5
177.12614	0.8
180.10072	0.9
181.09888	0.5
181.12146	0.7
183.11511	0.9
185.09465	0.8
185.13045	1.4
185.14554	0.5
187.11098	0.6
187.13168	0.6
189.08884	0.7
189.10994	1.4
189.12550	0.6
191.14101	1.8
193.12253	4.4
197.09436	0.4
197.13115	0.5
199.10977	0.9
201.12648	1.1
203.10524	1.0
203.14240	1.0
205.12029	0.9
211.13039	1.8
219.13750	3.7
221.15111	0.5
223.13141	0.7
225.14514	0.4
227.12563	0.7
229.14343	0.9
231.13521	0.8
233.15231	0.5
237.14709	0.6
243.08197	0.6
243.15811	1.6
249.14677	2.0
253.14183	0.8
255.15701	1.4
259.09573	0.6
261.14697	0.9
267.15912	9.4
273.14902	0.5
275.16312	0.8
285.17041	1.0
287.18509	3.3
293.17154	0.8
309.17038	0.5
311.19907	0.9
329.21140	4.5
337.21420	1.1
339.23099	0.5
347.22192	0.5
354.08838	0.4
355.22610	1.9
358.19858	0.5
367.60626	0.5
373.23578	0.9
403.24600	2.5
411.25107	0.9
413.40237	0.5
421.20419	0.9
421.25873	14.4
422.26108	0.7
429.26309	5.8
430.26779	0.6
447.27420	100.0
448.27728	5.1
461.28894	1.7
467.18713	0.7
469.20566	0.8
470.20819	0.8
479.29855	4.6
485.20059	0.6
500.22128	0.6
511.29150	2.0
529.29742	0.8
573.30957	0.9
587.32385	0.8
623.34271	0.7
726.37292	21.8
727.34882	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	727.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01863	0.5
55.05508	1.3
57.03433	1.6
58.07833	0.3
59.05003	0.6
60.47047	0.3
61.02935	2.4
67.05508	2.0
67.32930	0.4
69.03435	2.7
69.07069	0.7
71.05013	1.5
71.06721	0.3
73.02930	2.5
79.05501	2.4
81.03427	4.2
81.07053	2.2
83.04991	0.8
83.08610	1.0
85.02915	3.9
87.04471	0.6
91.03957	2.4
91.05477	2.4
93.07045	2.6
95.04961	1.5
95.08613	1.0
97.02896	3.9
97.06560	0.6
99.04475	1.1
101.02389	1.3
105.07060	1.1
107.05002	0.7
107.08611	1.5
109.02874	0.7
109.06541	0.8
111.08094	0.7
117.07054	0.5
119.08609	1.2
121.10165	1.6
123.08034	0.5
127.03939	1.5
129.07019	0.5
131.08600	1.4
133.10139	1.3
135.11717	0.6
137.09619	0.4
145.10123	0.6
147.11697	0.9
149.09659	1.3
163.11220	1.5
175.11089	0.7
185.04233	0.5
193.12325	1.3
197.15315	0.5
225.14882	0.5
243.08379	2.2
267.16000	1.1
283.15219	4.1
339.18103	0.7
447.27512	0.6
448.28116	0.9
467.18872	8.7
501.23093	9.8
502.23788	0.4
727.35089	100.0
728.35376	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	727.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
58.06610	0.2
67.05499	0.3
69.03423	2.0
70.06591	2.5
71.04995	2.5
72.92504	0.2
79.05486	0.5
80.05018	0.5
81.07053	1.4
84.08138	1.2
86.09680	0.3
91.05499	0.3
93.07050	0.5
94.06549	0.4
95.04958	0.3
95.08620	0.6
96.08131	0.9
97.02911	0.4
97.06567	0.2
99.04453	2.6
105.07062	0.4
106.75841	0.2
107.08617	1.2
108.08141	0.4
109.06512	0.7
110.09692	0.6
111.08072	1.7
112.77659	0.2
113.50991	0.2
119.08546	0.2
120.08096	0.4
121.06474	0.2
122.09683	1.1
123.08060	0.7
124.07650	0.2
124.08842	0.6
124.11183	0.2
125.09653	0.2
126.09180	0.2
134.09676	0.4
135.08037	0.3
136.11218	2.7
137.05975	4.6
145.10062	0.2
147.08055	0.3
148.11220	0.4
149.09633	0.4
150.09106	1.0
152.10712	0.7
153.09201	0.3
159.11646	0.2
160.11209	0.3
162.12817	0.5
163.03873	0.4
163.11276	0.2
164.14310	0.5
165.09108	0.4
168.10226	0.6
170.11665	0.5
174.12820	0.2
175.11197	0.5
176.14267	0.2
180.13840	0.3
182.11761	3.9
184.13287	0.5
190.15913	0.3
192.17525	0.3
193.12277	0.5
203.10800	0.2
221.11707	1.9
234.14922	0.6
236.16443	1.9
239.12778	0.5
250.14383	0.4
262.17865	0.3
264.05652	0.2
264.19675	0.9
278.17514	0.6
290.17395	0.3
292.19095	1.4
308.18704	0.4
310.20041	0.3
316.18991	1.8
320.18597	1.1
334.20114	1.1
338.19708	0.7
390.22729	12.7
391.23224	0.3
407.23111	0.3
408.23782	100.0
409.24045	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	728.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01878	1.4
57.03425	1.3
59.04976	0.7
61.02911	1.4
65.03940	2.8
67.05489	1.0
69.03119	0.6
69.03437	7.7
71.49722	0.7
73.02909	1.2
78.04693	0.7
79.05495	10.5
81.03423	6.9
81.07054	1.1
82.04206	0.8
85.02406	1.0
85.02909	16.9
87.04459	3.2
91.03933	1.0
91.05485	2.8
93.03391	1.7
93.07040	1.0
94.04236	0.9
95.04963	3.0
97.02903	6.9
97.06526	1.5
99.04421	1.5
102.30060	0.5
105.04527	0.8
105.07006	1.9
106.04169	1.1
107.04958	35.7
109.02894	3.9
110.03664	2.1
111.08104	1.1
115.03929	7.7
115.05446	3.2
117.07023	5.1
119.04925	0.8
119.08556	1.3
121.02901	0.6
121.06496	1.5
122.03673	0.8
123.04411	2.1
124.05206	4.8
125.06030	3.7
127.03911	8.9
128.06189	1.1
129.07004	2.3
131.04948	2.8
131.08549	1.5
133.04932	1.3
133.06519	3.4
135.04411	2.1
137.05949	1.9
138.03088	0.9
139.07556	1.3
141.06979	1.4
142.02592	0.6
143.04980	0.6
144.05698	3.1
145.04962	6.8
145.06471	11.5
147.04414	1.4
147.08032	1.5
149.05977	1.6
151.07547	0.6
152.04680	2.6
153.05463	4.6
155.04909	1.0
155.05977	3.1
156.05666	1.3
157.06502	3.8
159.04405	1.2
159.08041	3.0
160.05215	0.9
161.05966	8.6
163.03891	0.9
165.05469	0.7
167.07040	100.0
168.07376	1.5
171.06628	3.2
172.05197	3.0
173.05966	6.8
174.06813	0.9
175.07545	3.8
177.05479	0.7
177.09105	1.2
179.06992	0.8
181.04959	69.5
182.05350	1.2
185.05965	1.7
187.07527	6.6
188.08177	0.6
189.05505	6.3
189.09135	1.4
190.06198	3.6
191.07005	2.5
191.10672	1.3
193.05013	0.8
195.06581	5.1
200.04692	2.0
201.05472	9.3
202.06174	0.8
203.03360	0.8
203.07053	4.7
205.08624	8.0
206.05742	3.2
207.06499	1.7
207.10156	1.8
213.05441	2.0
217.08643	3.4
218.05739	7.5
219.06451	4.6
219.10168	2.4
220.07201	0.8
221.08072	9.7
231.06502	1.6
231.10115	0.8
233.08089	49.1
234.08551	0.9
235.07651	1.1
235.09669	21.9
245.08072	3.8
246.06514	0.9
247.07539	1.1
248.08466	0.7
249.05336	0.8
250.06258	0.9
251.09129	18.9
251.11566	1.1
252.09724	0.7
259.08057	2.6
261.09039	0.8
263.07092	1.0
263.09207	12.8
264.07587	0.7
265.08569	1.1
273.11224	3.9
275.06992	0.7
277.08820	1.7
278.21191	0.9
279.10223	1.8
280.07123	1.1
281.10266	6.7
283.09482	0.9
285.11169	1.3
291.06442	0.7
292.07162	1.2
293.07996	1.2
295.09756	1.9
297.11157	1.7
299.09171	0.7
302.79221	0.6
305.07831	0.8
306.08887	1.4
307.09662	2.6
309.07626	1.9
309.11011	1.2
311.12820	1.0
313.11063	0.7
315.12302	1.0
321.07739	0.6
321.11252	0.7
323.09204	1.2
324.09998	0.9
327.12280	1.7
328.65387	0.6
331.08182	3.0
334.08496	0.9
335.09125	0.7
337.10672	0.9
339.12323	3.1
344.12589	0.8
346.10382	2.0
352.09302	1.2
355.11771	2.2
367.11887	2.9
369.09320	0.8
371.14841	1.5
372.12048	1.1
373.12811	0.9
381.13214	2.7
384.12119	1.4
387.14288	4.2
388.21216	0.8
399.14346	8.2
405.15457	1.6
417.15436	81.1
418.15848	3.3
435.16522	39.6
436.16821	1.7
728.31702	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	728.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.1
55.05515	10.3
57.03442	11.4
59.04991	1.0
65.03947	1.1
67.05505	16.6
67.26483	0.8
69.03422	4.2
69.07072	6.9
71.04989	5.3
71.25916	0.7
79.05492	20.8
81.03420	38.7
81.03902	1.9
81.07055	18.6
83.04993	4.9
83.08617	12.8
85.02916	4.2
91.05482	14.4
93.07043	21.9
95.04968	20.6
95.08611	10.8
97.02888	2.5
97.06539	5.8
97.10169	12.1
98.22710	2.1
105.07029	12.6
107.04951	20.0
107.08598	11.2
109.06521	27.6
109.10155	3.7
111.04433	2.4
111.08086	4.6
115.05488	1.3
116.63733	0.8
117.07014	6.7
119.08585	11.2
121.06509	13.9
121.10149	12.9
123.04451	1.6
123.08060	5.1
125.05965	1.1
125.09634	11.7
127.03899	1.1
129.07001	6.9
131.04941	1.2
131.08574	14.0
133.06502	3.4
133.10121	4.7
135.08063	10.5
135.11720	2.0
137.05917	1.2
137.09607	1.2
139.11171	6.0
142.07784	1.3
143.08598	2.4
145.06471	3.7
145.10133	6.3
147.08049	3.5
147.11671	4.9
149.09610	7.3
153.05475	2.3
153.09106	2.2
155.08568	2.2
157.06558	1.3
157.10159	4.4
159.08054	1.9
159.11739	1.5
161.05956	1.2
161.09698	1.7
163.11191	5.4
165.12773	1.1
167.07120	0.9
167.10672	1.1
169.10173	1.8
171.08026	1.3
171.10248	1.1
171.11665	1.8
173.09666	2.6
173.13231	5.1
175.11177	7.3
177.12762	1.2
181.23354	0.8
183.11716	0.8
185.09677	0.9
185.11748	1.9
185.13319	1.4
187.07613	0.8
187.11195	2.2
189.11243	4.0
189.12759	1.9
191.14326	8.9
193.12247	13.6
195.06551	2.5
195.11673	1.0
197.09639	1.2
199.11287	2.0
201.12779	2.7
202.37158	0.8
205.12210	1.8
215.10710	2.3
215.14360	1.3
217.12181	1.1
219.13800	23.0
223.13248	1.6
231.13785	0.9
233.11815	2.6
233.15425	3.6
237.14886	1.7
241.14206	1.2
249.14935	1.5
255.13857	1.5
259.13507	0.8
259.15433	18.0
267.15933	33.8
268.16086	0.9
273.14819	4.7
275.16656	1.1
293.17459	14.2
337.35315	0.9
339.23373	1.7
349.21609	2.5
357.24313	1.8
367.22678	8.8
381.22409	1.5
385.23697	14.8
403.24826	6.9
433.25858	5.7
441.26425	3.6
451.21143	1.3
451.26907	12.0
459.27426	72.4
460.27579	4.7
477.28488	100.0
478.28836	5.4
495.29492	25.6
496.29630	1.2
501.28214	1.2
567.29218	1.4
623.74762	0.9
740.69220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.2
53.03946	3.1
55.01877	2.6
55.05511	22.6
56.61179	1.7
57.03437	20.4
57.07072	4.2
60.46124	2.1
61.02929	2.6
65.03941	3.9
67.05505	75.6
69.03427	3.0
69.07067	22.7
71.01357	5.1
71.04993	6.8
71.08607	2.3
74.06081	2.2
74.09718	2.7
77.03933	2.4
79.05493	74.8
81.03421	7.9
81.07059	49.3
83.04975	12.5
83.08604	10.2
85.02917	4.7
85.06540	5.9
91.05483	64.3
93.06441	4.2
93.07045	86.9
95.04972	10.6
95.08608	29.2
97.02895	3.8
97.06529	14.3
97.10174	11.4
98.97563	4.4
99.08095	4.1
105.04488	3.5
105.07028	56.0
107.04985	2.9
107.08594	56.6
109.06506	5.4
109.10165	18.6
109.96919	1.9
111.08092	3.5
112.99134	1.9
117.07007	18.1
119.08575	53.5
121.10152	24.7
123.08091	3.3
123.11731	4.6
125.09621	3.8
126.33020	2.0
129.07019	8.5
131.00136	2.6
131.08574	20.5
133.10129	49.2
134.10600	1.9
135.08092	4.0
135.11693	62.8
137.09660	2.9
143.08568	10.0
145.10129	30.4
147.11682	37.6
149.09595	2.4
149.13261	10.1
151.11169	7.7
155.08536	2.1
157.10104	9.7
159.11714	20.4
161.13243	32.0
162.13582	2.1
163.11246	9.1
163.14824	4.1
171.11679	10.9
173.11795	1.6
173.13214	9.0
175.14865	11.3
177.00719	3.8
179.83519	1.9
181.12231	13.8
184.07353	7.7
185.13301	9.2
187.14874	5.3
189.16409	2.5
199.14836	4.7
213.16403	3.4
231.21008	5.2
241.19510	31.9
253.14291	18.2
255.15906	100.0
256.16171	3.1
259.20566	83.8
260.20935	4.5
261.22122	5.7
271.15298	4.4
277.21460	1.9
315.23251	6.3
321.04993	4.3
333.24255	45.8
403.30234	2.0
421.30908	5.8
439.32193	5.0
441.06882	1.9
447.00363	1.7
457.33228	2.8
495.34406	5.5
503.37344	4.3
513.35748	77.1
514.35840	7.5
531.36731	27.2
532.37476	2.9
609.90192	1.9
621.37836	2.0
693.32898	4.0
728.38971	6.1
729.36951	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	728.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01882	4.8
55.05518	11.7
57.03446	9.3
57.07084	5.1
61.02916	1.1
65.03954	2.7
67.05512	46.0
69.03439	3.6
69.07076	13.2
69.70070	3.6
71.05001	4.2
71.07388	4.0
71.08641	2.0
73.02940	1.2
79.05495	24.0
81.03438	4.6
81.07064	44.8
83.04982	5.1
83.08632	5.9
85.02916	3.0
85.06557	3.9
85.10161	1.4
86.09717	21.8
91.05487	30.5
92.05826	1.2
93.07054	30.2
95.04989	5.5
95.08614	20.5
97.02876	1.1
97.06555	4.3
97.10162	1.8
98.22672	2.1
99.08118	1.9
105.07041	23.9
107.04993	1.3
107.08600	26.1
109.06529	5.2
109.10162	44.9
110.87341	1.1
113.06042	1.5
117.07033	3.0
119.08598	7.8
121.10161	7.3
122.83680	1.2
123.08052	2.0
123.11698	7.9
125.00053	3.3
125.09610	1.2
127.07597	1.8
129.07069	1.5
131.08618	6.4
133.10138	50.1
134.10518	1.7
135.11696	5.7
137.09616	1.5
143.08633	1.2
145.10167	3.3
146.98189	11.4
147.11687	3.0
149.13277	2.2
151.11185	19.5
159.11723	2.1
161.09616	2.3
161.13297	1.3
169.12273	4.6
173.13286	2.2
184.07347	13.0
187.14893	1.3
215.12909	1.5
243.21106	2.0
253.14365	100.0
254.14627	2.9
259.20575	1.3
261.22174	8.7
271.15414	24.6
279.23169	1.2
317.24731	2.3
335.25830	47.9
336.26389	1.7
383.87280	1.2
457.33240	2.4
495.29785	2.0
503.37402	3.2
513.35852	6.4
531.36859	52.0
532.37085	3.4
545.38098	13.7
669.37445	28.4
728.44739	27.2
729.43658	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	728.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01874	3.6
55.05516	7.1
57.03439	6.2
57.07072	1.7
61.02932	1.2
64.88731	0.8
65.03953	1.9
67.05507	36.0
69.03432	1.9
69.07079	7.8
71.04998	3.7
77.03926	0.9
79.05492	20.5
81.03401	2.3
81.07059	36.9
83.05000	5.2
83.08625	4.2
85.02899	3.2
85.06543	3.6
86.09716	6.5
91.03986	1.3
91.04934	1.8
91.05486	24.7
93.07048	21.1
95.04989	4.8
95.08610	14.7
97.02875	0.8
97.06533	2.1
97.10167	1.3
97.31107	0.9
99.04464	1.8
99.08109	1.4
105.07040	21.5
107.04993	1.4
107.08593	24.2
109.06540	3.5
109.10161	36.3
111.08051	1.8
113.05978	1.2
117.07005	2.5
119.08578	4.8
121.10127	7.2
123.08049	1.4
123.11690	6.0
125.00032	1.0
127.07577	1.7
131.08568	4.6
133.10133	41.9
134.10460	1.4
135.08066	1.0
135.11702	5.3
145.10121	3.4
146.98198	2.1
147.11714	2.1
149.13281	1.9
151.11179	22.1
159.11725	2.7
161.09618	1.5
161.13359	1.4
163.14938	1.4
169.12241	3.9
173.13280	2.4
179.10695	1.0
184.07317	5.7
214.41241	0.9
215.12775	1.9
222.45325	0.8
243.21075	2.3
253.14359	100.0
254.14696	3.3
261.22144	10.6
271.15421	32.5
279.23212	1.3
317.24429	2.0
335.25830	29.2
439.32132	1.6
457.33151	1.9
465.32977	0.9
513.35828	10.2
523.39380	1.1
531.36853	34.7
532.37073	3.2
545.37616	4.7
549.37219	1.0
669.37482	8.0
728.44904	8.1
729.43640	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	728.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56071	0.1
54.77456	0.1
55.05513	0.1
56.05040	0.2
56.34004	0.1
60.98637	0.1
67.05504	0.1
69.03432	0.2
70.06584	0.7
79.05479	0.4
79.69400	0.1
81.07055	4.2
82.06585	0.6
83.07350	0.2
84.08142	5.5
91.05504	0.1
93.07046	0.1
95.04942	0.1
95.08543	0.1
96.08128	10.6
97.08913	4.1
98.09695	0.2
100.11252	0.6
109.05766	0.1
109.06511	1.7
110.09676	3.0
111.04434	0.2
111.08057	0.1
111.10519	0.1
122.09679	0.4
124.11214	0.4
129.23750	0.1
136.11183	0.4
137.05975	8.2
137.11978	0.7
138.06236	0.1
138.12779	4.0
139.13570	2.2
140.14369	0.7
164.14343	3.3
166.15932	0.2
182.15366	0.2
188.79155	0.1
202.15868	0.2
209.16496	0.2
210.14890	0.3
230.19034	0.1
248.16443	0.2
248.20007	0.2
258.18546	0.3
276.19571	100.0
277.19907	3.7
435.33597	0.1
453.34329	2.3
454.34528	0.1
461.98141	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	729.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01862	0.6
55.05513	0.8
57.03437	1.9
59.05003	0.5
61.02935	4.3
67.05510	1.9
69.03434	2.3
69.07058	0.4
69.23699	2.1
71.01354	0.8
71.05000	1.1
73.02924	2.8
79.05504	2.6
80.40092	0.3
83.04978	1.6
83.08630	1.0
85.02905	5.3
87.04475	0.8
91.03947	2.3
91.05490	3.8
93.07048	1.5
93.35452	0.4
95.04985	2.0
95.08617	0.9
97.02893	3.9
97.06532	0.6
99.04444	0.9
101.02408	1.3
105.07021	2.4
107.08610	1.0
109.02882	0.6
109.06525	0.6
111.08086	0.7
113.07232	0.4
119.08594	1.7
121.06487	0.4
121.10146	1.7
127.03969	1.3
129.07027	1.0
131.08627	1.5
133.10156	1.7
147.11647	2.3
149.09656	1.7
157.10110	1.9
164.13934	0.4
165.12802	0.4
175.11197	1.8
193.12238	2.7
203.05402	0.5
211.13324	1.0
225.14735	0.6
243.08499	2.4
251.12662	0.8
253.14145	0.5
267.16034	1.3
283.15192	4.9
288.41470	0.4
294.14642	0.4
307.15216	0.8
311.89905	0.4
339.17746	0.6
346.35547	0.5
441.20755	0.4
469.20462	10.8
470.20844	0.6
501.23001	12.2
502.23248	0.8
567.31445	0.6
729.36652	100.0
730.37140	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	729.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01873	0.5
55.05502	0.5
56.05038	0.5
57.03444	0.2
59.04995	0.3
67.05501	0.9
68.05057	0.2
69.03438	1.3
69.07054	0.2
70.06596	1.2
71.04983	0.3
72.08152	0.3
79.05487	1.0
80.05001	0.5
81.07047	0.5
82.06565	0.7
83.04977	0.4
84.08140	1.6
85.02919	0.5
85.06550	0.3
85.08475	0.2
86.09691	0.4
90.00223	0.2
91.05476	1.0
93.07046	1.9
94.06576	0.7
95.02452	0.2
95.08583	0.5
96.08122	0.7
97.02850	0.3
97.06535	0.3
97.08930	0.4
98.09667	0.2
99.04485	0.2
100.07619	0.9
105.07008	0.5
106.06572	0.2
107.08600	1.5
108.08116	0.6
110.09676	6.3
112.07613	0.2
113.03432	0.2
117.07022	0.3
119.08601	0.5
120.08084	0.9
121.06484	0.2
121.10114	0.3
122.09642	1.0
122.43525	0.2
124.07578	0.4
124.11220	0.4
125.05985	0.5
127.03939	0.4
127.08584	0.2
131.08556	0.2
134.09642	1.6
135.10475	0.3
135.11684	1.0
136.11194	1.1
137.12030	0.2
138.09052	0.3
139.07619	0.2
145.10117	0.4
146.09644	0.4
148.11197	1.1
149.12050	0.3
150.09134	0.7
150.33092	0.2
160.11215	0.6
162.02974	1.1
162.12781	3.3
164.10637	0.3
168.10155	0.5
170.11789	0.2
174.12807	0.3
176.10751	0.2
176.14316	0.3
180.04044	0.7
182.11760	0.6
184.13327	0.6
188.14325	0.8
190.15924	0.6
194.11775	0.3
195.07698	0.2
206.15312	0.3
208.13315	0.3
208.16946	0.4
216.13910	0.2
218.15372	0.3
220.17043	1.1
229.10767	0.2
234.14954	0.6
236.16446	7.7
246.14851	0.7
247.09622	0.4
247.11928	0.8
248.12210	0.4
248.16368	0.2
249.11317	1.0
276.19562	1.8
294.20627	100.0
295.20975	4.4
312.48035	0.2
320.18430	1.1
344.18433	1.4
360.17822	0.3
403.19806	0.2
418.22263	3.7
419.22421	0.3
436.23294	20.7
437.23654	1.3
501.23795	0.2
722.14697	0.2
729.32898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63572	0.5
55.05511	2.6
56.05038	3.5
57.03467	0.5
57.07079	1.1
60.04526	69.4
60.87839	0.5
67.05506	4.8
69.07065	3.0
69.39321	1.6
71.08630	0.6
72.04520	1.1
74.06087	1.5
75.88321	0.5
78.87848	0.5
80.05022	0.6
81.07053	6.0
82.06586	1.3
83.08639	2.2
86.06099	0.6
90.05596	0.8
91.05482	1.3
93.07051	2.1
95.04976	0.6
95.08608	5.5
97.10155	1.2
99.04465	0.5
105.07024	0.7
107.08614	1.1
109.10169	2.8
109.10801	0.5
111.08078	0.4
115.43591	0.4
119.08618	0.8
121.10143	1.7
123.11742	1.0
128.38786	0.5
133.10060	0.5
135.11711	0.6
151.14803	0.5
155.03400	3.1
175.03711	0.5
197.15611	0.6
214.15892	0.7
250.25308	0.9
252.26888	0.6
260.16519	1.8
262.25403	1.4
280.26324	7.8
298.27411	8.7
316.28455	100.0
317.28787	3.3
389.12982	0.5
395.15533	0.5
414.19110	3.0
497.02689	0.6
633.85840	0.5
700.99896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03949	3.4
53.39515	0.4
55.01869	4.1
57.03436	6.5
61.02929	8.8
62.77864	0.4
65.03957	0.8
67.05498	2.0
69.03429	36.2
71.01365	0.6
71.03909	0.7
71.04994	3.3
73.02913	7.7
77.03931	0.4
77.74113	0.4
79.05494	5.7
81.03416	25.5
81.07059	14.1
83.01353	0.5
85.02905	86.1
86.03225	0.8
87.04469	18.7
91.03951	4.7
91.05475	6.6
92.05843	0.5
93.07059	0.7
94.04182	1.1
95.04973	4.6
97.02892	27.0
98.03256	0.6
99.04461	5.7
99.52364	0.5
101.02383	1.1
103.03928	3.9
103.05472	2.9
105.07031	13.2
107.04955	6.6
109.02877	13.9
109.06522	18.4
111.04439	1.2
115.03930	44.6
117.07007	1.0
119.04935	2.1
119.08609	1.1
120.05750	2.2
121.06497	4.5
123.04427	26.0
123.08076	1.3
124.04769	0.5
125.06007	0.5
127.03917	35.3
129.06934	0.7
133.04964	8.2
133.06519	1.6
134.07277	0.7
135.04396	5.7
135.08057	7.9
137.05977	76.1
138.06378	2.2
138.09209	0.7
139.07530	3.2
143.43448	0.5
145.04962	25.5
145.90785	0.4
146.05301	0.5
147.04439	5.5
147.08064	1.0
149.05978	3.2
149.09636	1.6
150.06757	5.0
151.07538	22.4
152.08336	3.9
153.09102	5.8
157.04962	1.8
158.07323	0.6
159.08040	1.2
160.05177	0.7
161.05971	7.3
163.06030	2.6
163.07561	3.3
164.08337	0.8
165.05476	1.6
165.09113	70.5
166.09438	1.4
167.07162	0.5
173.06027	1.1
174.06725	1.7
175.06059	1.3
175.07509	7.3
177.05420	0.5
177.09113	3.7
178.09816	1.0
179.07095	1.3
179.10669	4.7
181.08632	0.6
187.06044	1.1
187.07555	1.0
188.08340	1.2
189.05478	2.3
189.09093	8.5
190.09758	0.9
191.06989	0.6
191.10693	1.2
193.08615	1.8
195.08119	0.8
199.07455	1.1
201.09120	1.4
203.07021	0.6
203.10725	2.5
205.08621	1.2
207.10127	4.1
211.07513	0.6
212.08356	1.4
213.05345	0.5
213.09129	1.2
215.10780	0.9
217.06984	1.6
217.08868	0.9
223.07681	0.6
224.08456	0.8
225.09193	1.3
226.09918	0.5
227.07042	1.4
227.10651	2.1
229.08629	1.3
231.10222	1.4
240.07796	1.1
241.08841	0.6
243.10172	2.0
245.08142	0.9
245.11604	0.7
247.09682	1.2
253.08508	1.2
254.09567	0.9
255.10143	3.2
256.10870	0.7
257.11743	1.9
259.07953	5.3
264.07785	0.6
267.10098	1.1
269.11694	1.7
271.09619	0.6
273.11255	1.7
274.11938	0.7
275.12775	100.0
276.13095	4.1
277.09201	6.1
283.09683	2.9
284.10608	0.8
285.11203	18.2
286.11435	1.0
287.12769	34.3
288.13028	1.2
291.10358	1.1
293.05185	0.6
293.08035	3.3
293.11032	0.7
294.08908	3.0
295.09625	1.3
295.13120	0.6
296.10416	1.8
297.11234	3.0
299.12790	20.1
300.13135	1.1
301.10916	3.6
305.11679	0.9
307.09698	0.9
308.10284	1.2
309.11169	7.0
311.12744	2.3
313.14334	3.1
316.10883	0.6
317.13834	51.8
318.14273	2.3
321.11166	0.9
322.11905	1.5
323.12759	4.3
329.13684	1.2
333.11298	1.1
334.11765	0.7
337.14157	1.1
341.13818	22.0
342.13971	1.1
347.12799	1.6
351.12180	1.0
353.13828	2.6
355.15521	2.7
365.13843	41.6
366.14105	2.5
383.14886	60.3
384.15192	2.3
401.15955	6.7
407.14664	0.9
419.16849	0.7
426.74210	0.5
449.16251	0.5
479.16888	1.8
497.18091	5.5
515.19202	6.4
533.19159	0.6
730.30615	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	730.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.1
55.01876	1.5
61.02903	1.1
69.03431	4.5
71.45581	1.0
73.76468	0.9
79.05484	4.0
81.03424	5.3
85.02902	13.3
91.05504	2.9
94.47304	1.0
95.04993	2.1
97.02896	4.9
103.05471	2.8
105.07046	2.7
106.04128	1.0
107.04941	9.9
115.03971	0.9
115.05451	9.3
117.07021	10.7
118.28416	0.9
119.04937	1.5
122.03688	2.2
123.04464	1.8
124.05253	2.3
127.03891	2.1
128.06198	2.3
129.06992	9.0
131.04936	5.5
131.08585	2.3
132.05682	1.1
133.06497	3.4
133.80377	1.0
137.05977	68.2
143.04936	9.0
144.05699	2.3
145.05003	3.0
145.06491	25.1
147.08070	1.7
149.05913	1.3
151.03918	1.2
153.05463	3.1
155.06030	4.3
156.05714	4.6
157.06485	8.5
159.04292	1.4
159.08052	6.6
160.05214	10.7
161.05969	8.6
163.07501	1.9
167.07037	58.8
168.07393	1.0
172.05164	3.1
173.05991	48.5
174.06680	1.6
175.07544	100.0
176.07887	2.3
177.05466	2.9
180.08701	4.1
184.05124	0.9
187.07547	46.4
188.08003	1.2
189.09103	6.6
190.06232	20.5
191.06979	3.4
193.08592	1.9
199.07549	3.8
202.06306	1.5
203.07018	6.8
203.08600	1.6
205.08600	85.8
206.07243	1.5
206.08998	1.6
209.08176	1.7
215.06871	1.3
215.08636	1.2
217.08595	41.5
218.07256	2.3
219.08142	1.4
219.10094	2.9
220.08807	1.4
221.09637	3.9
223.09639	1.4
231.08038	1.6
233.09628	3.1
234.06693	2.8
235.09660	66.5
236.10019	2.1
239.06757	1.1
240.37640	1.0
241.08653	3.5
247.07530	2.0
247.09669	8.4
249.09033	5.3
261.09146	7.3
263.07083	2.4
265.10721	58.8
269.08212	2.8
277.08633	5.4
278.09369	3.3
281.11676	7.9
285.07593	4.6
289.08624	3.5
293.11533	5.7
294.08810	2.0
300.09967	8.6
301.10742	4.4
306.08765	1.3
307.09631	1.5
309.11154	10.1
310.11847	1.8
313.10626	1.7
321.11157	8.1
326.11508	3.4
338.11331	1.4
339.12015	1.6
341.13843	33.2
342.14081	1.9
353.13812	24.5
354.14322	1.2
359.11105	1.9
371.14926	44.3
372.15253	2.6
546.24707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01876	2.5
57.03452	5.2
59.04978	0.6
61.02929	8.6
67.05507	0.7
69.03435	28.2
71.01350	0.8
71.05001	2.6
73.02529	0.8
73.02914	6.3
79.05485	0.9
81.03423	17.6
81.07076	1.5
83.05018	0.6
85.02911	85.4
86.03230	1.0
87.04473	26.8
91.03967	5.0
91.05487	12.7
93.07040	0.7
95.04996	1.3
97.02898	32.0
98.03253	0.9
98.17191	0.7
99.04466	6.4
101.02426	0.6
103.03963	1.6
103.05487	1.0
105.07038	2.8
107.04973	4.5
109.02887	14.5
111.04459	1.5
115.03937	100.0
119.04953	18.0
121.03648	0.7
121.06517	2.7
123.04434	0.6
126.38737	0.6
127.03920	42.3
129.05470	0.7
131.04955	1.1
131.08609	0.6
133.04980	35.1
133.06453	5.6
135.08034	1.9
137.05978	2.3
138.06790	1.2
139.07562	4.1
145.04968	40.3
145.10158	0.8
146.05254	0.8
149.05983	1.8
150.44318	0.6
151.07558	2.7
154.78418	0.7
157.05035	1.0
159.08089	0.9
163.06050	8.3
163.07393	1.0
164.08380	1.2
165.07018	0.6
175.06001	1.0
175.07465	0.9
175.11237	3.3
177.09088	0.7
179.08548	0.9
182.07300	0.9
187.06064	0.8
189.09116	1.4
193.08569	2.4
197.09607	1.2
205.08588	0.9
210.06664	0.8
225.09055	1.9
226.09908	0.9
241.06973	4.9
242.09422	2.0
257.11743	68.3
258.12085	1.7
259.08127	9.6
267.10129	3.3
269.11798	5.6
277.09204	38.7
278.09521	1.6
279.10135	2.3
281.11765	6.2
291.09973	1.1
293.11777	1.4
295.13232	1.9
299.12729	7.5
305.11560	0.9
323.12802	5.8
335.95996	0.7
343.10184	1.2
347.12747	2.1
359.24234	0.6
365.13956	4.1
383.14935	3.3
383.44391	0.7
388.20895	1.2
401.15903	1.7
728.44202	0.6
730.32349	1.1
731.34222	1.7
741.17010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.03429	0.5
57.48645	0.2
57.63604	0.2
58.06588	0.3
61.02930	0.9
65.03931	0.2
67.05501	0.9
69.03432	1.1
69.07063	0.5
69.32783	0.5
69.33178	0.6
71.04996	0.4
71.53946	0.3
73.02901	0.6
79.05492	1.2
81.03424	1.4
81.07071	1.5
83.04953	0.4
83.08619	0.5
85.02909	2.0
87.04480	0.4
91.03941	0.8
91.05489	1.2
93.07042	1.1
95.04960	0.9
95.08607	1.2
97.02894	1.0
97.06526	0.8
97.10143	0.3
99.04449	0.4
105.07041	1.1
107.04950	0.5
107.08619	0.5
109.02888	0.6
109.10114	0.4
111.04448	0.4
115.03905	0.4
119.08599	0.9
121.06519	0.8
121.10129	0.5
123.11670	0.5
127.03915	1.0
129.06998	0.4
131.04948	0.3
131.08577	0.4
133.06538	0.4
133.10147	0.5
135.04424	0.5
137.05978	0.3
145.06488	0.4
145.10120	1.2
155.08537	0.4
157.10175	0.4
158.07257	0.3
159.08069	0.3
167.07086	0.4
173.09619	1.4
175.11188	0.3
180.05469	0.2
181.04971	0.7
187.11194	0.7
191.07045	0.6
193.12279	0.4
196.13443	0.3
202.06094	0.3
214.27887	0.3
215.10713	1.2
220.07579	0.3
233.11745	1.0
243.08569	0.4
251.12569	0.4
257.24844	0.4
267.11896	0.3
317.91977	0.3
382.05450	0.3
388.21429	0.8
443.19019	0.8
445.13950	0.4
463.15051	0.8
467.18842	0.8
469.20566	1.2
485.18414	0.5
487.21344	0.3
605.24829	0.3
641.31665	0.6
687.30225	0.4
713.32861	1.4
731.32751	100.0
732.32996	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.4
55.01812	0.7
55.02045	0.4
55.05441	0.5
57.03341	1.2
59.04916	0.4
61.02828	3.9
61.03164	0.7
67.05399	4.8
67.05782	0.7
69.03323	2.9
69.06973	0.3
70.70329	0.4
71.04887	0.6
73.02810	3.2
73.03242	0.8
79.05382	1.2
81.03300	3.0
81.06941	2.1
83.04891	0.7
83.08501	1.1
85.02783	4.9
87.04393	0.6
90.37566	0.3
91.03828	2.4
91.05355	1.8
93.06920	1.3
95.04829	1.7
95.08488	1.0
97.02763	4.5
97.06417	0.4
99.04306	1.2
101.02248	1.7
105.06908	1.5
105.07522	0.5
106.07402	0.4
107.08491	0.8
109.02769	0.7
109.06423	0.5
109.10024	5.6
109.10856	0.3
109.11134	0.3
111.07964	1.1
115.03826	0.4
119.08431	1.9
121.10036	0.7
127.03786	1.6
129.06876	0.8
131.08434	1.0
131.42439	0.4
133.09973	1.2
136.11110	0.4
137.09560	0.5
145.04823	0.4
145.10017	0.5
147.11586	0.9
149.09488	0.6
155.10553	0.8
157.09979	0.9
173.11778	2.6
175.11032	1.0
185.04060	1.0
193.12218	1.9
195.09801	0.9
203.05154	0.4
211.13179	0.8
229.14288	1.8
243.08353	2.7
251.12532	2.0
285.16861	0.7
301.78543	0.4
307.15161	0.6
318.16788	0.4
388.21213	0.4
413.17758	12.9
414.17975	0.6
443.18741	0.9
469.20398	12.3
470.20575	1.0
479.26361	1.1
485.19586	0.9
501.23068	0.5
503.21347	0.6
641.31403	100.0
642.31812	8.7
659.31213	0.4
681.30591	0.8
685.34174	0.5
713.33435	1.6
731.34436	29.4
732.34174	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	731.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	0.1
67.05496	0.4
69.03427	0.4
69.07069	0.1
71.21016	0.1
76.75559	0.1
79.05507	0.1
83.07350	0.1
83.08672	0.1
83.53029	0.1
86.87722	0.1
91.05495	0.1
93.07061	0.2
95.04953	0.6
95.08557	0.1
96.08106	0.2
96.39032	0.1
97.06525	0.1
98.06059	0.2
104.25315	0.1
105.07037	0.2
107.08586	0.1
111.08051	0.1
113.05970	0.1
119.08551	0.3
121.06481	0.3
121.10133	0.1
124.11241	0.2
126.12797	0.2
131.08528	0.2
133.10077	0.1
135.08006	0.1
137.09633	0.9
138.12776	0.7
140.07086	0.4
145.10147	0.2
147.08009	0.7
147.11696	0.5
148.07571	0.1
149.09615	0.2
153.05475	0.1
154.12262	0.5
159.08011	0.2
161.09598	0.1
164.14340	0.2
165.09131	0.3
170.11754	0.5
177.12743	0.3
183.10120	0.2
187.14856	0.2
203.14339	0.1
204.13782	0.3
204.17555	0.2
205.12201	0.1
205.15907	1.0
215.14310	0.4
222.18199	0.1
231.13669	0.1
232.17053	0.7
233.15346	1.1
250.18005	1.9
260.16449	0.4
261.14911	0.7
278.17520	3.1
278.20541	0.1
296.18552	100.0
297.18863	2.8
342.99936	0.1
436.13974	0.2
436.19666	2.7
437.20206	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.19508	0.3
55.01882	0.3
55.05513	0.8
57.03448	1.6
59.05014	0.4
61.02929	4.3
62.31152	0.3
64.57973	0.3
67.05505	4.5
69.03440	2.4
69.07083	1.2
69.60582	0.6
69.60966	0.6
70.06614	0.5
71.04993	4.2
73.02915	2.8
79.05499	2.3
81.03415	4.0
81.07072	2.7
83.04991	0.9
83.08633	0.9
85.02905	3.8
85.06552	0.7
87.04469	0.7
88.80550	0.3
91.03970	2.6
91.05473	2.3
93.07052	2.8
95.04994	1.9
95.05575	0.3
95.08616	1.8
97.02898	3.3
97.06549	1.0
99.04488	0.9
101.02415	1.3
103.03967	0.8
105.07070	1.2
107.04975	0.4
107.08589	1.9
109.02853	0.6
109.10154	3.1
111.08110	0.6
119.08609	2.2
121.06541	0.3
121.10160	1.9
122.38148	0.3
127.03914	1.6
129.07047	1.0
131.08606	0.8
133.10168	1.2
135.11719	1.5
136.11232	0.8
137.06004	0.3
137.09647	1.3
137.96628	0.3
145.10176	0.8
147.11754	1.2
149.09702	1.4
157.10114	0.5
159.84192	0.3
163.11160	0.5
164.14351	0.6
173.11815	0.7
175.11255	0.9
181.12299	0.4
185.04227	0.5
193.12381	1.0
203.05324	0.4
225.15056	0.6
229.14545	0.5
243.08455	2.4
243.16026	0.7
253.14032	1.9
255.15953	0.4
260.16647	0.4
267.16043	0.7
283.15140	3.5
287.18686	0.4
309.16882	0.5
318.17093	1.6
339.17917	1.4
388.71671	0.4
437.49658	0.3
439.19577	0.9
469.20697	0.4
471.22067	10.5
471.28485	0.6
472.22559	0.4
495.29181	0.4
501.23056	11.7
502.23456	0.6
569.33319	0.6
612.31158	0.6
627.30145	0.9
641.29828	1.6
713.34747	0.5
731.38275	100.0
732.38690	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99999	0.2
55.01860	0.6
55.05506	0.4
56.03840	0.2
57.03425	0.4
67.05503	0.6
69.03429	4.0
70.06591	2.6
71.04991	3.7
75.66138	0.2
79.05478	0.8
80.05013	0.7
81.03419	0.4
81.07055	1.6
83.04945	0.3
84.08133	0.7
85.02911	1.0
86.09657	0.2
87.04453	0.3
89.03889	0.5
91.05480	1.3
93.07041	0.7
94.06540	0.5
95.04961	0.2
95.08597	1.0
96.08128	0.8
97.02897	0.5
98.06039	0.5
99.04459	1.8
100.07557	0.2
103.05460	0.3
103.16109	0.2
105.03433	0.2
105.07024	0.9
107.03186	0.2
107.08594	1.1
108.08135	0.2
108.62972	0.2
109.06527	0.4
109.10172	0.3
110.09666	0.4
111.08074	3.4
117.03394	1.5
119.04919	0.8
119.08566	0.7
121.06472	0.2
121.10098	0.3
122.09656	1.3
123.08067	0.7
124.07580	0.6
124.11205	0.4
125.05988	0.6
125.09615	0.3
127.03898	0.5
128.07086	0.4
131.04893	0.5
131.08586	0.5
133.02873	0.2
133.06535	0.2
133.10110	0.3
134.09666	0.5
135.08002	0.2
135.11603	0.2
136.11230	1.1
137.05977	3.6
137.09596	0.3
139.07549	2.1
145.02852	4.7
145.10211	0.2
147.04430	0.9
147.11696	0.2
149.05981	0.9
150.06825	0.3
150.09140	1.7
150.33319	0.2
151.07683	0.3
152.10698	0.7
154.12234	0.5
157.10187	0.2
161.06046	0.9
162.06694	1.1
162.12776	0.6
163.07597	0.5
164.14334	0.4
168.10228	1.5
175.03949	0.3
177.05476	7.6
177.06981	0.4
179.07021	1.4
180.10156	0.4
182.11758	3.2
184.13348	0.6
191.06932	0.2
193.04851	0.4
195.13832	0.9
198.11229	0.5
201.05429	1.5
219.06502	0.6
219.10193	0.4
221.11719	0.4
231.06567	0.4
234.14850	0.3
236.16550	0.6
248.16446	1.2
249.07549	0.3
262.17856	0.5
264.19662	0.4
276.19708	0.4
277.08566	0.4
292.19150	0.2
293.07990	0.3
307.09952	0.2
316.19147	0.6
322.20120	5.9
323.09058	0.4
323.20331	0.4
325.10739	1.2
337.10614	0.9
341.10291	0.3
343.11722	0.9
355.11719	2.2
373.12839	1.7
390.22733	1.9
392.24295	1.2
406.22104	0.3
408.23715	0.7
410.25351	100.0
411.25714	4.8
462.24399	0.3
534.26843	0.4
535.18292	0.5
552.28015	2.4
570.29077	1.7
732.34241	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	732.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05029	0.7
57.07058	0.6
58.06622	0.6
60.08164	6.1
63.28204	0.2
67.05495	0.6
69.07041	0.4
71.07372	3.1
71.08647	0.2
71.43250	0.2
79.05502	0.3
81.03433	0.3
81.07047	0.5
83.08620	0.2
86.09706	29.2
87.10043	0.2
89.06008	1.0
91.05487	0.5
93.07016	0.4
95.04973	0.2
95.08613	0.5
97.10159	0.3
98.98470	3.0
101.78944	0.1
104.10734	1.9
105.07002	0.2
106.37197	0.2
107.08572	0.4
109.10160	0.3
121.10172	0.3
121.51936	0.2
125.00004	20.0
129.06998	0.5
132.39694	0.2
133.08600	0.3
133.10123	0.2
141.66608	0.2
142.45464	0.2
145.02840	0.5
157.06514	0.4
177.11288	0.2
184.07341	100.0
185.06126	0.2
185.07668	0.7
203.06998	3.3
211.13297	0.4
213.94547	0.2
219.06523	1.3
267.15918	0.3
285.17023	0.6
296.20975	0.2
299.14896	0.5
311.25735	1.0
521.38409	0.4
732.47931	6.9
733.48505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.05030	0.7
57.03436	0.2
57.07076	0.3
58.06628	0.5
60.08167	5.6
67.05495	0.9
69.03455	0.2
69.07069	0.5
70.67011	0.3
71.07375	3.0
79.05485	0.7
81.03418	1.0
81.07058	0.9
83.04990	0.2
83.08623	0.8
85.02915	0.3
86.09711	27.9
87.10040	0.3
88.69185	0.2
91.05489	0.5
93.07043	0.5
95.04957	0.4
95.08603	0.7
97.06535	0.2
97.10195	0.2
97.24020	0.1
98.98473	3.0
104.10747	2.5
105.07059	0.3
107.08587	0.5
109.10159	0.5
109.18118	0.2
111.08113	0.2
119.08601	0.2
121.10165	0.3
125.00008	19.7
129.07057	0.3
133.10138	0.3
135.11732	0.3
147.11688	0.2
149.02408	0.2
152.01268	0.2
157.10132	0.2
164.54185	0.2
166.02797	0.2
175.11224	0.2
184.07347	100.0
185.07713	1.1
187.07603	0.2
193.12303	0.3
203.06996	0.7
219.06577	0.4
219.44154	0.1
221.08041	0.9
267.15927	1.4
299.14957	0.7
311.25870	1.4
431.51923	0.2
491.37375	0.2
503.37250	1.1
521.38367	0.2
522.35681	0.2
524.59503	0.2
530.22125	0.2
732.48120	10.8
733.41064	0.7
733.50006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01876	1.8
55.05256	1.8
55.05511	23.3
57.03185	1.4
57.03440	15.9
57.07079	7.3
59.04991	1.3
60.08163	2.4
61.02913	3.7
65.03941	1.7
67.05159	2.2
67.05506	32.6
69.03419	3.2
69.06711	1.5
69.07068	26.0
69.21651	6.6
71.04989	4.3
71.07389	1.1
71.08617	2.5
79.05492	22.9
81.03419	46.0
81.07056	34.3
81.07555	1.6
83.04978	11.4
83.08620	33.8
85.02899	16.9
85.06557	1.9
85.94100	1.1
86.09702	12.8
89.88036	1.1
91.03950	1.9
91.05479	23.3
93.07040	21.3
95.04969	21.2
95.08604	22.4
97.02893	3.5
97.06533	4.2
97.10162	8.6
98.98487	1.7
99.08115	1.5
105.07024	13.2
107.04959	4.7
107.08593	9.4
109.06519	3.0
109.10155	8.2
111.04424	2.6
111.08086	8.0
111.11687	2.5
113.06013	1.4
119.08581	15.7
121.10139	16.3
123.08092	2.1
123.11719	4.1
124.99983	8.5
125.09611	1.7
129.07004	9.1
131.08565	9.2
133.06453	1.9
133.10132	9.5
135.11667	8.9
137.09613	1.5
139.11122	1.5
142.07785	1.2
145.10114	1.4
147.08060	2.6
147.11671	10.8
149.09619	3.5
149.13278	2.0
157.10135	10.4
163.11140	1.4
165.12750	3.1
175.11223	9.9
184.07350	40.2
184.88354	1.1
185.07719	3.9
187.07669	1.4
193.12230	34.1
203.07048	3.7
204.90230	1.1
211.13290	54.6
212.13675	1.6
227.08904	1.1
251.23643	1.3
267.15942	20.0
285.16962	66.1
286.17380	1.5
291.03751	1.2
325.27365	74.2
326.27771	2.4
517.38928	14.9
518.38495	1.4
523.75879	1.1
535.39935	100.0
536.40448	6.1
562.34216	3.1
732.46545	3.4
733.38580	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	732.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.05514	2.1
56.04777	0.3
56.05037	4.6
57.03440	0.5
57.07079	2.1
58.02965	0.2
60.04527	65.8
61.04863	0.3
67.05505	2.8
68.05025	0.4
69.07072	2.8
69.07445	0.2
70.06594	0.7
70.14472	0.2
70.14822	0.2
71.05001	0.4
71.08634	1.2
72.04525	0.5
74.06081	1.5
79.05492	1.1
81.07052	2.4
82.06580	0.6
83.04971	0.5
83.08621	1.9
85.10188	0.6
86.06078	0.7
90.05546	1.0
91.05504	0.3
93.07050	1.1
95.08617	2.3
96.08124	0.5
96.08929	0.2
97.06541	0.2
97.10158	1.4
107.08586	1.0
109.10155	1.2
111.11753	0.4
119.08588	1.3
121.10139	0.5
123.11718	0.4
135.08003	0.2
135.11731	0.2
157.50676	0.2
158.43541	0.1
160.19582	0.2
223.22687	0.2
238.25282	0.2
240.26909	0.3
252.26926	1.3
254.28435	0.9
256.26370	0.3
264.26871	2.3
265.25244	0.5
270.27917	2.3
282.27917	10.5
283.28235	0.2
300.28967	9.4
301.29230	0.4
318.30014	100.0
319.30338	3.5
473.80127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01868	0.4
55.05511	1.3
55.76476	0.2
57.03446	1.7
61.02930	3.8
62.98258	0.3
67.05512	4.4
69.03429	2.7
69.07059	1.5
71.01350	0.4
71.05013	0.5
73.02923	2.9
79.05498	4.2
80.53991	0.2
80.79876	0.2
81.03436	1.4
81.07047	2.5
83.05000	0.4
83.08630	0.7
83.48561	0.3
85.02911	4.4
85.06561	0.4
87.04500	0.5
91.03963	2.5
91.05489	2.7
93.07050	4.6
95.04971	0.8
95.08620	1.8
96.01963	0.2
97.02901	2.8
97.06522	0.5
97.10190	0.5
99.04488	0.5
101.02357	1.4
103.03962	0.4
105.04441	0.4
105.07033	2.2
107.08601	2.7
109.02873	0.5
109.10179	1.0
110.92566	0.3
117.07029	0.6
117.70749	0.3
119.08600	1.7
121.10179	1.1
125.09667	0.4
126.70168	0.3
127.04000	0.8
131.08607	0.6
133.10101	1.8
135.11688	3.5
137.09621	0.3
137.65323	0.3
143.08618	0.6
145.04980	0.5
145.10147	1.1
147.11732	0.9
157.10193	0.3
159.11742	0.6
161.13397	0.5
163.11189	0.5
181.12318	0.4
185.04245	0.8
201.03726	0.4
203.05302	0.4
221.11551	0.8
241.06879	0.4
243.08438	2.7
255.15981	0.5
259.20648	0.5
277.14099	0.4
287.16364	0.4
295.82675	0.4
301.08984	1.3
315.10718	0.5
317.21021	0.3
365.15717	0.3
369.15616	0.5
371.16919	0.4
373.11044	0.5
429.17343	0.8
439.19388	8.1
440.19843	0.4
465.20749	0.7
511.21588	1.3
535.28894	5.6
553.25958	0.4
571.36371	0.4
595.30725	0.4
663.33191	0.4
733.41333	100.0
734.41693	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	733.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00355	0.5
53.03941	1.3
55.01868	0.6
55.05505	1.2
56.73396	0.5
57.03439	2.3
60.08162	2.6
61.02927	5.3
67.05507	5.8
69.03420	2.7
69.07062	1.3
71.05005	0.8
71.07392	0.8
73.02926	3.8
79.05492	3.8
81.03429	2.7
81.07055	5.3
83.05044	0.7
83.08632	1.3
85.02900	4.6
85.06543	0.6
86.09712	7.9
87.10024	0.7
91.03973	3.2
91.05484	3.3
93.07044	4.2
95.04993	0.6
95.08607	3.3
97.02908	4.5
98.98489	0.8
99.04470	0.8
101.02399	1.6
104.10744	1.0
105.07047	2.0
107.08565	2.6
109.02921	1.0
109.06529	0.6
109.10167	2.9
119.08612	0.9
121.10162	1.2
123.11692	1.0
125.00011	5.2
125.26866	0.4
125.29900	0.5
127.03917	1.6
131.08621	0.6
133.10117	2.3
135.11696	1.1
145.02864	1.0
145.04974	0.5
147.11758	0.8
151.11224	1.1
184.07349	31.1
185.04326	0.7
185.07666	3.8
195.00311	2.2
203.05362	0.6
203.07115	1.9
204.07439	1.2
219.06604	1.5
220.06995	0.7
237.11090	2.4
243.08495	2.2
311.25961	0.7
335.25778	1.2
455.19025	4.0
519.29370	7.3
519.36578	1.0
563.35101	0.6
697.37109	0.6
707.78699	0.5
733.41199	100.0
734.41669	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	733.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
55.74884	0.4
57.07079	4.1
57.22822	0.4
58.06590	0.9
62.05197	0.5
69.35678	2.5
70.06590	9.0
71.08620	1.5
84.52474	0.5
85.10192	0.5
88.07629	12.6
91.79781	0.6
98.23441	0.9
102.09176	7.8
109.89922	0.4
132.10181	0.9
154.33743	0.4
212.23729	0.9
256.26343	31.5
266.46500	0.4
300.29004	2.0
318.30017	100.0
319.30280	3.2
438.18875	1.0
441.62970	0.5
570.56335	0.5
689.47412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74214	0.2
55.01869	0.7
65.01783	0.2
65.03938	0.7
66.04711	0.4
69.03428	0.6
70.06599	0.3
70.46612	0.2
71.45920	0.2
74.70666	0.2
75.09949	0.2
76.98618	0.2
79.05486	0.8
81.03415	4.7
81.07069	0.3
83.04980	0.3
85.02894	0.8
91.05481	2.7
93.03403	0.4
93.34434	0.2
94.04189	1.5
95.04955	0.7
97.02882	0.5
103.05477	1.2
105.03378	0.3
105.04498	0.2
105.07027	2.1
105.07670	0.3
107.04948	0.7
109.06509	0.8
111.04432	0.3
115.05444	1.5
116.06232	0.2
117.07024	1.1
119.04947	3.1
119.08598	0.2
121.06488	0.6
122.03650	3.5
122.09661	0.2
123.08040	0.3
124.05176	0.2
125.05981	0.4
128.06235	0.6
129.06989	2.6
130.04129	0.3
131.04922	1.6
132.05737	0.2
133.02840	0.7
133.06490	2.2
135.04420	0.4
136.05171	0.2
136.11246	0.2
137.05974	100.0
138.06284	1.4
143.04970	1.7
144.05678	0.7
145.05038	0.2
145.06480	1.4
146.03665	0.4
147.04399	3.0
147.08043	0.4
149.05991	0.9
151.03925	3.4
151.05026	0.2
151.07524	1.8
152.04213	0.2
153.05463	1.2
155.06113	0.3
156.05737	0.2
157.06499	3.2
159.04317	0.3
159.08075	0.5
160.05199	2.6
161.05971	5.8
162.06743	1.8
163.07552	1.6
165.05475	0.5
165.06969	0.2
167.07077	0.2
171.08095	0.3
172.05150	0.6
173.05998	0.8
174.06781	0.9
175.07542	25.0
176.07889	0.6
177.05470	0.7
177.09076	0.6
179.07042	1.4
184.05211	0.8
185.05971	0.7
186.06798	0.2
187.07536	7.6
188.08160	0.4
189.09093	3.5
191.06995	0.6
191.08559	0.3
192.54285	0.2
195.08022	0.2
198.06721	0.2
199.07530	4.5
203.06947	0.4
205.08594	14.6
206.08878	0.3
207.08087	0.3
207.10133	0.3
210.06676	0.2
211.07489	1.4
213.09061	0.6
217.08562	5.1
219.08063	0.4
221.06111	0.2
229.08603	2.5
231.08037	0.4
235.07707	0.3
235.09636	7.7
237.09007	0.4
239.07143	0.3
241.08562	0.5
247.07471	0.3
249.09039	0.3
251.07011	0.3
251.10585	0.3
253.08557	0.4
255.10168	0.3
259.07571	0.2
259.09680	1.6
261.09177	0.5
263.06854	0.2
263.10638	0.4
264.07834	0.4
265.08533	0.7
267.10150	0.7
271.13278	0.2
275.10727	0.4
277.08487	0.5
278.09369	0.2
279.10220	0.3
283.09610	0.6
285.11154	0.8
288.07901	0.2
289.08420	0.4
291.10095	1.0
293.11642	0.2
295.09473	0.5
297.11096	0.7
299.12759	0.3
303.10025	0.5
305.07773	0.2
305.11505	0.2
307.09680	1.0
308.10324	0.4
309.11154	0.4
311.12650	0.3
315.12497	0.3
318.16928	1.7
320.18433	0.4
321.11307	0.9
323.12811	1.7
327.12222	0.3
332.10376	0.3
333.11002	0.3
335.12662	1.9
337.14487	0.3
339.12253	1.2
341.13568	0.4
347.12756	1.2
351.11917	0.2
353.13840	1.3
357.13263	0.7
365.13812	2.7
369.13068	0.4
377.13782	0.3
383.15115	0.9
395.15131	0.9
413.15732	0.5
416.20627	1.5
418.13879	0.2
448.14960	0.4
449.15646	0.4
459.17990	0.6
471.18146	0.5
487.17487	1.2
489.19049	1.6
501.18988	1.3
507.19833	0.8
519.20178	2.7
610.01569	0.2
661.25970	0.2
734.33862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.8
53.00497	0.4
53.03923	1.1
55.01843	1.7
55.05518	8.7
57.03443	8.6
57.07081	20.9
57.07343	0.8
59.05006	2.1
61.02938	2.8
61.03186	0.8
67.05512	11.1
69.03381	1.3
69.07074	5.8
69.09191	2.6
70.58607	0.6
71.01334	0.9
71.04954	1.0
71.08636	17.3
73.02898	1.2
73.96369	0.5
79.05488	4.4
81.03423	2.3
81.07066	15.6
83.04942	2.0
83.08627	11.8
85.02929	2.9
85.06516	1.1
85.10193	9.8
86.09681	0.9
87.04466	0.5
89.06005	1.2
91.03943	1.0
91.05489	10.5
93.07053	7.7
95.04971	2.7
95.08615	14.9
97.02904	4.4
97.06509	2.1
97.10190	4.9
98.10538	0.5
99.00819	10.8
99.11720	0.8
103.05442	0.7
103.07544	0.6
104.82051	0.5
105.06460	0.6
105.07034	6.1
107.04975	4.4
107.08591	3.6
109.02202	0.4
109.02876	5.8
109.06486	2.0
109.10163	8.3
111.04455	2.3
111.08072	2.5
111.11652	0.7
113.06038	0.5
115.03912	2.0
117.06984	1.7
119.08603	5.7
121.06531	3.7
121.10089	0.5
123.04426	1.4
123.08006	0.5
123.11713	3.9
125.09607	0.8
127.03899	2.0
128.06213	0.7
129.05484	0.5
131.08487	0.5
133.06470	1.3
133.10136	24.6
135.08076	0.6
135.11681	1.4
137.06012	0.8
137.09615	1.0
137.13232	0.7
139.07564	2.3
139.11147	0.5
143.08578	2.9
145.06464	0.7
147.08057	0.7
151.10034	0.8
151.11188	8.3
161.09627	16.6
165.09077	1.0
171.08101	2.7
179.10678	7.8
184.07307	3.1
189.09129	6.7
197.11737	2.3
207.10159	2.7
225.11224	9.4
239.23694	1.5
243.12343	2.2
257.24692	2.0
263.64551	0.5
264.82278	0.5
267.16251	0.6
281.13889	5.1
298.27502	0.5
299.14908	100.0
300.15332	2.8
308.87784	0.5
313.27380	81.6
314.27753	2.5
335.21866	0.9
504.70813	0.5
506.37817	0.6
537.37915	52.8
538.38306	3.0
563.35553	2.0
564.35986	5.5
734.43768	1.0
735.43549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	0.1
55.01892	0.1
55.05514	0.4
57.03424	0.2
61.78738	0.1
65.03944	0.2
67.05506	2.0
68.05020	0.3
69.03431	6.3
69.07068	0.1
69.58900	0.5
70.06595	9.0
71.04984	0.4
71.06896	0.1
73.51663	0.1
77.48283	0.2
79.05483	0.7
81.07061	0.9
82.06574	0.6
83.01324	0.3
83.07365	1.5
83.08614	0.2
84.08144	5.1
85.02924	0.3
85.06516	0.2
87.00860	0.2
91.05482	0.5
93.07049	0.7
94.07383	0.1
95.04949	0.2
95.08609	0.8
96.08125	0.3
99.04437	0.3
105.07018	0.4
107.08607	0.4
108.08157	0.7
109.02855	0.3
109.06512	0.2
109.08915	0.3
109.10162	0.6
110.09682	0.4
110.10442	0.3
111.08088	0.2
111.10430	0.2
119.08596	0.4
120.08120	0.4
121.06502	0.3
121.10151	0.3
122.09653	0.4
122.10468	0.2
123.03613	0.1
123.10433	0.3
127.03916	0.4
128.04201	0.1
128.06207	0.2
131.08528	0.2
133.06509	0.2
133.10071	0.2
134.09663	1.0
135.10406	0.6
135.11649	0.3
136.07619	0.3
136.11218	6.8
137.05998	0.2
138.09105	0.3
141.05447	0.2
143.08562	0.5
145.06479	0.2
146.07149	0.2
146.09705	0.1
147.32304	0.2
148.11182	0.3
149.06007	0.5
149.12099	0.2
151.07501	0.2
151.09904	0.5
153.05423	0.2
155.03407	0.3
155.07033	0.2
159.08070	0.2
161.05865	0.2
161.09639	0.3
162.12772	0.3
162.64502	0.1
163.03920	0.2
163.07561	0.4
163.13556	0.3
164.14368	3.1
165.05496	0.3
165.09161	0.2
165.14760	0.2
167.07120	0.2
171.08063	0.3
175.03600	0.2
179.07027	0.2
181.08586	1.3
182.11794	0.2
183.06607	0.3
187.07578	0.2
189.09172	0.3
190.12320	0.2
191.07185	0.2
191.10643	0.2
194.58670	0.1
205.08652	0.2
207.06523	0.3
217.08624	0.3
219.06570	0.2
219.10078	0.2
220.13293	1.0
221.11710	0.1
231.09949	0.2
232.13094	0.2
234.15091	0.2
235.20508	0.2
236.20892	0.2
247.09674	3.3
248.10048	0.2
249.11237	5.0
250.11665	0.2
253.21626	0.6
254.21977	0.7
260.12839	1.4
262.14230	0.2
271.22528	0.2
272.22882	0.2
288.12161	0.3
289.23804	0.2
290.17526	0.2
290.23996	0.1
303.14682	1.4
307.24786	0.6
308.25189	0.5
318.16989	100.0
319.17325	4.5
320.18518	0.2
416.20804	0.3
418.22263	1.6
425.73166	0.1
474.96631	0.1
502.26910	0.1
735.26514	0.2
735.38434	2.6
736.38605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	0.1
55.01892	0.1
55.05514	0.4
57.03424	0.2
61.78738	0.1
65.03944	0.2
67.05506	2.0
68.05020	0.3
69.03431	6.3
69.07068	0.1
69.58900	0.5
70.06595	9.0
71.04984	0.4
71.06896	0.1
73.51663	0.1
77.48283	0.2
79.05483	0.7
81.07061	0.9
82.06574	0.6
83.01324	0.3
83.07365	1.5
83.08614	0.2
84.08144	5.1
85.02924	0.3
85.06516	0.2
87.00860	0.2
91.05482	0.5
93.07049	0.7
94.07383	0.1
95.04949	0.2
95.08609	0.8
96.08125	0.3
99.04437	0.3
105.07018	0.4
107.08607	0.4
108.08157	0.7
109.02855	0.3
109.06512	0.2
109.08915	0.3
109.10162	0.6
110.09682	0.4
110.10442	0.3
111.08088	0.2
111.10430	0.2
119.08596	0.4
120.08120	0.4
121.06502	0.3
121.10151	0.3
122.09653	0.4
122.10468	0.2
123.03613	0.1
123.10433	0.3
127.03916	0.4
128.04201	0.1
128.06207	0.2
131.08528	0.2
133.06509	0.2
133.10071	0.2
134.09663	1.0
135.10406	0.6
135.11649	0.3
136.07619	0.3
136.11218	6.8
137.05998	0.2
138.09105	0.3
141.05447	0.2
143.08562	0.5
145.06479	0.2
146.07149	0.2
146.09705	0.1
147.32304	0.2
148.11182	0.3
149.06007	0.5
149.12099	0.2
151.07501	0.2
151.09904	0.5
153.05423	0.2
155.03407	0.3
155.07033	0.2
159.08070	0.2
161.05865	0.2
161.09639	0.3
162.12772	0.3
162.64502	0.1
163.03920	0.2
163.07561	0.4
163.13556	0.3
164.14368	3.1
165.05496	0.3
165.09161	0.2
165.14760	0.2
167.07120	0.2
171.08063	0.3
175.03600	0.2
179.07027	0.2
181.08586	1.3
182.11794	0.2
183.06607	0.3
187.07578	0.2
189.09172	0.3
190.12320	0.2
191.07185	0.2
191.10643	0.2
194.58670	0.1
205.08652	0.2
207.06523	0.3
217.08624	0.3
219.06570	0.2
219.10078	0.2
220.13293	1.0
221.11710	0.1
231.09949	0.2
232.13094	0.2
234.15091	0.2
235.20508	0.2
236.20892	0.2
247.09674	3.3
248.10048	0.2
249.11237	5.0
250.11665	0.2
253.21626	0.6
254.21977	0.7
260.12839	1.4
262.14230	0.2
271.22528	0.2
272.22882	0.2
288.12161	0.3
289.23804	0.2
290.17526	0.2
290.23996	0.1
303.14682	1.4
307.24786	0.6
308.25189	0.5
318.16989	100.0
319.17325	4.5
320.18518	0.2
416.20804	0.3
418.22263	1.6
425.73166	0.1
474.96631	0.1
502.26910	0.1
735.26514	0.2
735.38434	2.6
736.38605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03160	0.3
55.01870	0.6
58.77213	0.2
65.03923	1.1
67.05508	0.7
69.14030	1.2
70.06569	0.4
77.03909	0.5
79.05490	0.7
91.05458	0.3
91.84604	0.2
95.04967	0.7
103.05453	1.8
105.07035	8.4
108.02110	0.9
111.04429	0.3
115.05457	1.9
118.04153	0.9
119.04946	0.3
123.04390	0.3
131.04929	1.6
133.02837	1.3
133.06496	6.9
136.01587	0.2
137.05960	0.4
141.05476	1.3
143.06033	1.0
143.87411	0.2
147.04417	0.5
148.05174	0.8
149.05908	0.3
151.03911	100.0
151.04973	6.4
152.04247	1.3
161.05981	13.6
162.06422	0.3
163.07510	1.2
165.05518	0.3
173.06000	0.3
176.04745	0.3
177.05493	0.3
177.09134	0.3
191.07034	14.8
192.07385	0.2
193.08606	12.7
194.08994	0.3
195.71873	0.2
209.08034	0.3
278.68448	0.3
315.12109	0.2
359.11191	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	736.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.16792	0.7
69.03430	1.3
69.53912	0.6
71.34763	0.7
80.76585	0.7
81.03407	1.1
83.45133	0.7
84.08137	1.7
85.02893	1.6
103.05478	0.9
105.01884	0.7
105.07036	1.4
120.30520	0.6
127.03897	1.1
129.03137	0.6
131.04961	1.4
167.07161	0.8
167.97124	0.8
175.59097	0.7
220.13359	1.1
229.12267	1.2
269.11496	0.7
351.21411	26.5
352.21521	1.0
364.18787	8.7
408.17831	100.0
409.18243	5.5
419.22424	0.8
471.21494	1.6
617.98291	0.7
649.82550	0.7
736.36633	1.3
761.62146	0.7
762.12433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01870	5.1
55.05511	13.5
57.03176	0.8
57.03437	9.0
57.07058	0.7
58.14217	0.6
59.04998	2.4
60.05644	1.3
61.02906	0.8
63.66445	0.5
65.03939	1.2
67.05505	22.4
67.05865	1.2
68.85332	0.6
69.03429	4.1
69.07067	5.0
71.04995	5.0
79.05492	21.6
79.05952	1.3
81.03418	45.9
81.07057	23.2
82.06592	0.9
83.01357	3.7
83.04979	11.8
83.05443	1.0
83.08620	16.1
85.02908	12.3
85.06551	2.5
91.05483	22.2
93.07047	21.9
93.07497	0.5
94.06571	1.1
95.04970	19.0
95.08604	9.5
97.02894	5.1
97.06522	5.0
97.10161	4.4
98.22684	1.4
99.04448	2.6
105.04511	0.8
105.07027	16.5
107.04942	7.5
107.08589	11.5
108.08149	0.7
109.02889	1.7
109.06510	6.7
109.10168	6.5
111.04460	3.4
111.08094	4.7
113.06029	2.1
115.05474	1.0
117.07004	5.1
119.04905	0.9
119.08580	14.9
121.06522	3.0
121.10143	8.1
123.08071	4.5
124.07649	0.6
125.05995	1.0
125.09641	3.4
127.03933	2.0
128.06241	1.0
129.06995	7.2
131.04964	1.6
131.08560	7.8
133.05287	0.8
133.06531	1.6
133.10118	6.7
135.04401	0.8
135.08069	2.2
135.11682	5.8
137.09598	1.8
142.07744	1.0
142.08713	1.2
143.08606	1.0
145.06500	1.4
145.10124	9.8
147.08057	3.5
147.11690	7.4
149.09618	3.4
151.11176	0.9
153.12755	1.9
154.08649	2.8
155.08553	1.2
157.10126	8.0
159.08122	0.7
159.11749	1.4
161.09630	1.0
163.11176	10.8
165.12770	1.5
173.04512	0.8
173.09659	1.9
173.11736	1.4
175.11182	5.9
177.12798	0.8
181.12257	1.6
189.11221	1.3
191.10750	1.5
193.12241	19.1
207.13675	0.6
209.11734	3.0
211.13283	14.6
212.13568	0.6
214.08626	1.3
223.13330	2.6
227.12784	3.4
229.14342	7.7
242.08156	1.5
243.08499	1.6
243.13724	0.9
247.13390	0.7
265.14587	0.6
267.15909	18.5
281.17694	0.7
283.15411	18.8
285.16995	2.7
297.17010	1.7
315.23248	0.6
317.17422	0.9
318.17053	0.9
320.27875	0.9
337.16422	0.9
383.22174	1.8
393.18738	0.8
401.23145	1.2
403.24948	1.0
412.17285	0.7
421.25818	7.1
424.30698	2.4
429.21054	5.1
457.25922	3.2
461.29230	0.7
471.27426	1.4
475.26898	16.7
489.28366	4.8
493.27975	100.0
494.28149	6.3
507.29785	2.0
619.31433	0.7
637.32257	11.8
715.54694	0.6
719.40851	0.6
736.36792	1.7
737.34906	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	736.485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01870	8.2
55.05512	13.1
56.12181	1.7
57.03444	15.1
57.06820	2.8
57.07082	39.7
61.02929	2.5
64.06174	1.9
67.05513	27.9
69.03464	3.1
69.07073	14.2
69.12292	7.2
69.12695	3.9
71.01364	3.8
71.04990	3.0
71.08630	29.6
79.05498	23.4
81.03418	21.2
81.07066	29.6
83.01357	1.7
83.04985	13.8
83.08626	18.3
85.02905	8.1
85.10186	17.3
86.09713	3.5
91.03957	2.8
91.05479	14.1
93.07052	24.6
94.40341	1.7
95.04970	8.3
95.08615	29.2
97.02906	11.4
97.06542	7.7
97.10133	9.2
98.23412	4.4
99.04507	1.9
105.07049	7.2
107.04967	14.8
107.08608	14.8
107.11702	1.7
109.06527	4.6
109.10149	13.7
111.04459	12.2
111.08089	3.9
111.11722	2.9
117.07006	9.4
119.08604	12.0
121.06500	2.1
121.10166	11.2
123.08063	5.7
123.11697	2.6
124.99992	2.7
125.09676	3.4
129.07054	2.4
131.08566	6.4
133.10095	3.3
135.08096	4.2
135.11693	19.7
137.09602	2.1
145.06422	1.9
145.10130	19.1
147.08064	3.7
153.12758	12.0
155.08594	2.5
163.11197	27.3
173.09666	5.9
181.12259	7.0
184.07335	10.7
191.10660	13.7
209.11742	26.7
227.12779	21.6
239.23756	4.0
246.02847	1.9
257.24536	4.0
265.14365	11.5
283.15405	48.8
301.13028	3.8
301.16464	72.9
313.27386	100.0
314.27686	3.2
503.37256	7.9
521.38379	63.8
522.38489	3.8
539.39423	83.5
540.40070	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	736.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01864	1.4
55.05516	19.9
57.03180	1.2
57.03439	14.1
57.07086	5.4
59.72390	0.7
61.02916	1.0
65.03951	1.0
67.05162	1.5
67.05505	22.0
69.03426	2.3
69.07072	25.8
70.81186	0.8
71.04993	3.1
71.08624	2.9
73.02928	0.9
79.05499	14.5
81.03421	61.3
81.07059	25.1
82.03754	0.9
83.04991	5.1
83.08625	27.1
85.02898	1.1
85.06550	1.7
86.09731	2.0
89.56571	0.8
91.05487	13.6
92.60200	0.7
93.07053	15.3
93.07616	1.7
95.04977	21.0
95.08599	17.5
97.02887	1.7
97.06532	4.4
97.10168	10.7
98.23431	1.9
99.08101	2.1
105.07018	8.1
107.04951	5.4
107.08603	10.2
109.06529	2.7
109.10172	5.8
111.04460	1.6
111.08094	6.2
111.11716	2.5
113.09676	1.1
117.07029	1.5
119.04934	1.1
119.08582	9.2
121.06517	1.7
121.10156	13.3
123.04439	1.2
123.08057	1.3
123.11693	4.7
124.99983	1.3
125.09613	2.2
129.06999	7.5
131.08572	6.6
133.06488	2.9
133.10143	4.1
135.11691	8.8
137.05940	1.1
137.13257	2.7
137.64783	0.8
139.11174	1.1
142.07811	1.6
145.10118	1.8
147.08035	3.3
147.11720	4.7
149.09665	3.7
149.13268	2.7
153.12773	0.8
157.10132	7.1
163.11188	1.2
163.14853	1.5
165.12761	1.2
175.11197	6.2
184.07376	5.6
189.12860	0.7
193.12247	21.2
211.13353	1.3
219.21028	1.6
229.14352	0.9
237.22174	3.0
249.14862	1.1
265.14679	0.8
267.15921	100.0
268.16251	2.2
285.16785	1.1
309.16971	1.4
311.25803	81.5
312.26187	2.8
313.27426	1.3
384.64221	0.8
429.33609	2.8
503.37332	72.3
504.37784	4.2
521.38342	16.5
539.39551	1.7
545.38171	2.4
611.40015	1.2
736.43567	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	737.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.2
69.03420	0.3
69.99178	0.3
70.06596	0.3
71.52116	0.1
75.73457	0.1
77.67180	0.1
79.05491	0.2
80.05024	0.2
81.07086	0.1
82.06592	0.2
83.07329	0.1
84.08147	2.5
91.05473	0.2
91.42704	0.1
93.07033	0.2
95.59496	0.1
96.08146	0.2
98.23446	0.2
105.54785	0.1
106.06550	0.2
108.08138	1.2
110.09665	0.3
120.08107	0.4
120.13275	0.1
121.06526	0.2
121.08897	0.2
122.09679	0.8
123.10461	1.9
124.11225	0.2
130.43553	0.1
134.09668	1.1
135.10402	0.3
136.11221	37.1
137.11586	0.9
140.37527	0.1
148.11183	0.5
149.06033	0.3
149.12033	0.8
153.05476	0.2
162.12773	0.3
163.13631	0.6
163.14835	0.1
164.10718	0.5
164.14359	14.4
165.14680	0.5
165.59024	0.1
167.07079	0.2
167.48763	0.1
171.08360	0.1
176.20857	0.1
179.06963	0.2
179.42215	0.1
181.08621	0.3
183.06534	0.2
190.12296	0.2
191.13014	0.2
206.05736	0.1
217.24200	0.1
220.13336	3.9
247.09674	2.0
249.11157	0.7
256.22357	0.1
260.12701	0.7
262.14377	0.7
275.15161	0.2
290.17517	0.9
303.14633	0.6
318.16995	100.0
319.17343	5.0
341.94333	0.1
420.14883	0.2
420.20154	2.3
428.86157	0.1
554.66974	0.2
726.11743	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	737.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
54.65876	1.4
55.01881	5.9
55.05514	29.9
57.03439	9.7
57.07074	2.2
59.05003	2.4
61.02930	17.6
65.03951	4.5
67.05508	53.7
69.03425	10.9
69.07067	18.2
69.10593	11.2
70.94897	1.9
71.04987	14.2
73.02926	7.9
77.03896	1.7
79.05498	50.7
79.05953	3.5
81.03420	14.6
81.07059	48.0
82.03769	1.8
83.04993	5.3
83.08616	18.2
85.02916	14.6
85.06551	7.6
91.03963	8.4
91.05487	40.7
93.07052	41.6
95.04955	10.5
95.08613	38.7
97.02892	11.4
97.06539	6.8
97.10165	15.8
99.04482	2.8
99.08109	6.3
105.04513	3.5
105.07028	34.9
107.04946	4.4
107.08601	27.9
109.06528	6.9
109.10154	20.1
111.08113	4.7
113.09660	2.1
115.05441	2.9
117.07029	24.8
119.08588	30.2
119.58569	1.7
121.06544	3.3
121.10148	18.0
123.08093	7.8
123.11734	5.7
125.09639	16.4
127.03931	3.1
128.06261	5.1
129.07002	18.8
130.07877	2.1
131.08568	35.2
133.06493	4.0
133.10118	19.0
134.02200	1.6
135.08076	5.4
135.11702	12.3
137.09645	1.6
137.13063	1.8
141.07018	7.6
142.07829	3.2
143.08594	18.6
145.06503	2.2
145.10135	26.7
147.08109	5.1
147.11682	11.2
149.09624	7.6
151.11287	2.5
153.09061	1.8
154.07823	2.4
155.08545	16.8
155.50012	1.5
156.09288	2.7
157.10135	25.2
159.08006	2.2
159.11702	20.9
161.09666	4.6
161.13283	6.8
163.11194	4.6
164.83719	1.8
167.08591	6.8
168.09331	2.6
169.10133	16.0
170.10829	2.0
171.08064	2.7
171.11702	19.0
173.09665	5.5
173.11775	2.9
173.13286	12.1
173.14577	1.8
175.11192	6.0
175.14912	2.9
177.12753	2.1
179.08588	2.2
181.10127	9.2
181.12096	1.4
183.11705	14.7
185.09660	3.1
185.13225	10.2
187.11195	5.0
187.14845	5.9
189.11205	6.4
189.12723	2.0
193.10181	3.9
193.12216	3.2
195.11743	8.9
197.13222	11.6
199.11154	2.9
199.13283	1.8
199.14806	8.3
207.11665	4.1
209.13319	5.8
211.14957	3.9
213.12834	3.0
213.16475	2.5
215.14464	2.3
217.16069	2.1
219.11703	3.0
221.13283	3.6
223.14847	6.5
225.16499	2.6
226.49643	1.7
227.12669	11.5
233.13252	1.9
235.14784	5.6
237.16434	5.0
259.20480	2.1
263.17847	2.0
265.19366	3.1
267.15915	2.7
269.18982	2.2
276.70364	1.8
283.20538	4.6
285.22076	3.1
286.99088	1.7
297.22025	3.1
299.23767	9.3
301.21677	2.2
307.20612	2.1
321.22198	2.9
323.23676	2.1
339.23004	2.9
347.23187	1.8
365.24863	3.0
415.29788	3.8
421.25546	3.1
433.30981	16.9
435.27386	2.1
443.27847	6.8
449.54965	1.7
451.32147	12.8
461.28510	2.2
469.32745	5.7
483.34482	2.5
499.33994	3.9
507.34689	10.4
517.35339	17.7
525.35785	83.6
526.36206	5.4
541.34619	2.1
543.36810	100.0
544.37012	4.1
557.38501	25.2
567.36957	2.2
575.39508	31.3
651.38629	1.8
669.38953	3.2
679.39899	2.7
687.40485	5.2
705.42365	3.2
737.35046	6.8
737.45526	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	738.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	2.0
53.03947	2.9
55.01868	2.7
55.05510	14.9
57.03442	13.5
59.04986	1.7
67.05160	1.2
67.05503	16.7
69.03426	4.1
69.07061	4.4
69.91618	0.9
70.11124	1.9
71.01344	1.4
71.04978	3.4
79.05492	14.7
81.03416	68.8
81.07057	20.2
83.04985	5.3
83.08620	22.5
85.02881	3.1
85.06534	2.1
91.05478	27.2
93.07043	17.6
95.04971	24.5
95.08598	6.6
97.02893	6.7
97.06536	4.3
97.10152	6.2
99.00804	10.0
105.07032	19.0
107.04951	11.9
107.08578	7.9
109.02872	11.9
109.06533	5.2
109.10166	3.5
111.04430	2.5
111.08092	8.4
115.03938	1.8
115.05447	0.8
117.06990	4.6
119.04942	1.6
119.08581	13.0
120.80973	1.0
121.06513	9.3
121.10136	6.3
123.04411	3.6
123.08058	2.2
123.11713	1.7
125.09614	5.5
127.03854	1.6
128.06178	1.1
129.06992	6.9
131.08577	8.1
133.06517	4.1
133.10127	32.7
134.10466	0.9
135.08037	2.8
135.11725	2.2
137.05984	2.1
137.09608	3.1
139.07489	1.6
142.07755	1.0
143.08562	3.7
145.06497	1.6
145.10117	2.3
147.08073	3.6
147.11681	7.5
149.09572	4.6
150.55046	0.8
151.11159	7.4
153.38097	1.1
155.08569	1.2
157.10135	8.8
159.11823	1.5
161.09615	16.7
163.11151	2.8
165.09113	1.1
165.12804	1.8
171.08031	4.0
175.11153	8.3
179.10652	9.5
189.09108	9.8
189.11151	3.0
191.10574	1.4
193.12251	20.3
197.11658	2.4
207.10196	3.2
209.11627	1.6
211.13376	4.8
219.13751	7.7
225.11215	9.6
227.12804	3.3
243.12378	1.4
249.14949	1.6
267.15909	95.6
268.16260	2.4
281.13834	6.4
283.15369	3.5
285.17114	4.5
295.19128	1.1
299.14890	66.7
300.15073	1.9
301.16348	1.0
309.16736	1.1
359.24619	0.9
371.22284	1.3
381.20605	1.8
389.23160	2.0
399.21762	1.7
445.25867	11.1
459.27551	7.8
463.26736	5.7
473.25375	28.6
477.28488	7.9
487.30115	2.2
491.26364	100.0
492.26746	6.1
505.31973	1.3
509.27344	4.5
533.27264	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01885	7.5
55.05516	16.4
57.03442	19.4
57.07045	1.2
59.04996	2.8
61.02931	3.9
65.03943	2.0
67.05509	68.3
69.03434	6.6
69.07077	11.7
71.04996	17.5
75.84721	1.4
77.03892	1.3
79.05501	27.8
81.03421	96.4
81.07061	40.5
83.04985	16.5
83.08628	27.9
85.02901	15.2
85.06544	4.4
87.04520	1.9
91.05486	54.1
91.06065	2.7
93.07051	25.7
95.04967	34.6
95.08604	14.8
97.02886	6.8
97.06548	7.8
97.10190	5.5
99.04456	3.6
99.08097	2.4
105.07038	40.6
107.04952	8.6
107.08608	25.3
109.02882	2.6
109.06516	6.5
109.10162	72.3
111.04468	3.0
111.08063	14.1
113.06031	3.5
115.80946	1.3
117.07037	4.2
119.04930	2.0
119.08591	28.5
120.08131	7.0
121.06535	6.0
121.10139	10.8
123.08109	2.8
123.11723	7.4
125.09651	2.6
127.07534	2.1
127.11166	1.7
128.06236	3.2
129.07016	11.8
131.08577	13.6
133.06509	6.0
133.10132	75.3
135.08138	1.7
135.11700	3.8
137.06032	2.3
137.09579	8.8
142.07832	3.6
143.08569	5.1
145.10149	8.9
145.11157	1.9
147.08055	4.5
147.11703	14.4
149.09631	8.1
151.11188	35.7
155.10667	3.3
157.10136	17.0
157.24745	1.3
159.08122	1.6
159.11732	3.5
161.09625	15.0
163.11205	3.2
165.12752	2.8
166.08655	4.8
169.12206	6.7
173.09634	6.6
173.11745	4.9
175.11205	16.9
179.10648	10.0
182.31566	1.4
187.11169	2.6
193.12253	37.3
197.09651	2.2
197.11699	1.4
207.10115	3.0
211.13304	34.6
215.10728	4.1
215.12816	3.3
229.14377	3.4
233.11786	4.1
243.12263	4.2
253.14479	1.9
267.15918	100.0
268.16348	4.0
281.13837	3.4
285.16989	32.1
299.14896	82.9
300.15439	1.5
331.17520	36.5
331.20990	1.4
332.93231	1.6
373.23471	1.9
388.21021	1.6
393.26398	1.4
399.21564	1.6
403.24591	2.8
417.22485	1.9
421.25824	23.4
422.26028	1.6
439.26947	58.6
440.27090	3.1
459.27399	4.1
472.34161	1.9
473.25220	9.2
477.28403	5.2
491.26419	73.0
492.26755	4.2
509.27475	18.5
510.28235	1.5
523.29163	2.8
533.27295	2.0
541.30115	60.6
542.30389	2.3
568.14398	1.3
738.40002	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	738.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.2
57.03436	13.4
58.84211	0.8
59.04995	0.9
59.24660	0.7
61.02899	0.8
65.03942	1.5
67.05506	28.2
67.05867	1.4
69.03429	7.1
69.07069	10.4
69.17160	4.9
71.04995	8.9
78.75525	0.9
79.05495	31.7
81.03421	100.0
81.07059	37.4
83.04987	21.1
83.08624	31.0
85.02907	26.5
85.06555	3.6
85.37353	0.8
86.49327	0.7
91.05483	43.5
92.05820	1.1
93.07050	23.5
95.04972	40.3
95.08604	14.7
97.02901	8.0
97.06548	5.6
97.10168	5.3
99.04445	1.6
99.08100	2.3
105.04524	2.1
105.07034	33.8
107.04965	12.7
107.08597	11.6
109.02892	1.9
109.06508	6.9
109.10144	4.8
111.04427	5.8
111.08083	12.6
113.06031	4.1
115.05473	2.9
117.07031	3.5
119.04956	1.7
119.08591	29.4
121.06512	3.9
121.10147	12.2
123.08103	3.1
123.11737	2.4
125.06023	0.8
125.09630	3.8
127.03948	1.9
127.07539	0.9
128.06242	0.9
129.05489	1.9
129.07010	17.1
131.04932	0.9
131.08577	17.8
133.06558	4.4
133.10132	20.2
135.08049	2.2
135.11691	1.6
137.06044	1.6
137.09637	3.1
142.07791	4.1
143.08598	1.6
143.93930	0.8
145.06525	1.3
145.10129	5.3
147.08049	5.8
147.11682	20.7
149.09610	9.3
151.11189	1.4
152.10957	0.8
155.08597	1.4
157.10132	20.8
163.11203	3.0
165.12761	4.7
175.11205	19.0
181.12251	1.2
189.11201	1.2
193.12248	50.6
194.12598	1.6
211.13293	54.1
212.01868	0.7
212.13570	0.8
221.15337	0.8
227.12805	2.6
229.14308	2.6
249.14818	2.4
255.13837	1.2
267.15912	69.3
268.16385	2.2
273.14850	2.1
283.15421	2.9
285.16980	36.0
286.17523	0.9
290.02127	0.9
299.15027	1.8
301.14392	1.1
313.16663	1.0
315.54251	1.0
349.21878	1.1
355.17529	1.9
367.22824	4.3
385.23633	3.8
403.24841	1.6
411.19992	2.2
421.25473	1.1
429.21182	8.4
433.25790	4.0
441.26361	3.0
459.27423	53.2
460.27756	2.9
477.28503	47.5
478.28833	3.1
491.26385	3.0
495.29514	56.8
496.29813	4.6
523.28882	1.3
585.30505	1.2
603.31775	1.9
621.32874	4.9
639.33795	22.8
640.33569	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99573	1.5
55.01859	2.6
55.05511	11.9
57.07077	25.3
58.06585	4.4
58.99588	2.0
59.07364	3.0
60.12711	1.6
65.03956	1.9
67.05486	4.4
68.41761	1.7
69.07070	25.8
70.02952	18.8
70.85575	2.7
71.08636	16.3
74.02443	2.7
76.02225	3.0
76.03997	5.9
80.14669	1.5
81.07043	9.7
83.06116	8.3
83.08630	12.6
83.90298	1.5
84.04495	11.1
85.04023	3.2
85.10188	8.4
88.03939	1.6
91.05486	3.6
93.07051	4.7
95.08606	7.0
97.10188	10.3
99.05582	9.1
101.04247	1.6
105.07014	2.6
105.09576	1.5
107.06061	3.3
109.07629	7.7
109.10191	3.4
110.99049	3.7
111.11703	4.6
116.03423	3.9
119.08562	1.5
123.11662	1.6
125.04237	2.2
127.05055	1.5
129.06599	6.2
130.04984	7.2
131.04626	1.6
132.10208	32.2
135.08040	4.8
136.07562	2.8
137.04265	2.5
140.01686	1.8
141.03647	1.8
141.59427	1.6
145.06079	100.0
149.05978	3.8
150.09128	1.6
151.05719	1.9
151.07547	18.9
153.06575	6.8
155.05278	3.1
155.08131	8.4
160.07578	2.2
161.08322	1.7
162.02182	2.0
162.09044	1.7
163.07506	1.8
164.07053	5.9
165.03662	2.0
165.09052	2.4
169.03105	2.2
170.88423	1.7
171.07770	1.7
172.07562	1.7
173.08337	1.8
174.09119	3.3
175.07559	3.5
176.05499	2.0
176.07039	25.2
176.08409	3.3
177.03539	7.7
177.07771	3.4
177.09108	5.0
178.06859	6.9
178.08595	2.6
179.05122	6.1
180.02347	3.6
180.04813	2.8
181.06087	3.4
182.65723	1.9
183.03282	2.7
183.04758	28.3
184.04295	3.2
185.08391	3.7
187.05403	2.4
188.07031	25.9
188.08443	2.8
189.07530	7.6
189.09299	11.4
190.06877	2.4
190.08617	14.7
191.05244	3.2
192.04819	6.2
193.03200	30.5
193.06866	2.0
194.03954	4.5
194.06352	10.7
195.03210	1.8
195.04852	12.8
199.07152	8.2
203.10674	4.3
204.10185	2.8
206.06342	28.3
207.04788	15.7
208.07855	7.7
209.04823	2.8
209.06471	3.1
210.05836	97.2
212.10725	3.3
217.12193	2.9
218.06256	9.5
219.04726	2.1
220.05649	2.7
220.07886	6.4
221.06334	29.6
222.05836	79.7
223.07875	5.7
231.04265	3.8
232.07867	2.0
233.05986	1.9
235.07889	4.6
247.07967	1.9
249.09439	2.3
250.05385	1.7
274.10339	13.3
295.07440	2.4
309.09015	36.8
313.08542	42.0
314.08829	2.7
318.76910	1.7
321.08871	2.0
325.08527	18.1
410.34088	1.9
411.34900	2.3
413.34073	4.7
415.35773	3.1
429.36313	1.9
442.31323	4.1
442.36804	6.9
444.32834	9.7
445.31372	30.2
446.31265	2.1
447.32727	3.5
454.35089	2.0
459.33044	2.9
470.34470	23.4
471.33386	3.8
472.36493	8.6
488.35580	33.3
489.35962	2.0
512.32446	2.1
545.33252	7.9
573.37244	45.3
574.36938	3.6
591.29285	3.0
591.38214	51.2
592.38245	5.7
645.39276	18.8
702.40466	1.9
720.42517	27.3
755.31543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.4
55.05511	10.4
57.03431	8.8
57.07085	5.0
65.48470	2.8
65.80353	2.5
67.05507	49.1
67.42049	2.6
69.07070	11.1
70.03895	5.2
70.04212	4.3
79.05499	48.8
81.03413	5.2
81.07058	44.7
83.04998	6.2
83.08638	6.9
86.13141	3.1
91.05488	39.3
92.64605	2.8
92.74081	2.8
93.07047	59.6
95.04956	16.9
95.08601	27.7
97.06542	3.7
105.04517	4.1
105.07030	26.3
107.04943	6.9
107.08576	16.0
109.06549	4.3
109.10164	9.6
117.07059	6.0
119.08593	18.9
121.10160	7.8
123.08083	3.8
124.72652	2.6
129.07011	7.7
131.08546	5.4
133.10124	10.0
135.11736	4.2
143.08585	4.8
145.10144	10.9
147.11664	22.5
161.13295	8.7
171.11665	14.8
173.13162	3.2
184.07326	5.9
189.12604	3.1
207.13814	11.1
209.39626	3.0
261.22327	4.0
275.82883	2.7
276.14981	3.1
279.81235	2.9
281.17474	52.4
313.27283	4.6
335.25797	42.4
377.53232	3.3
509.67511	3.4
541.38928	100.0
542.38928	5.3
769.29333	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	738.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
55.05510	0.8
55.88939	0.2
56.05029	0.8
57.03437	1.6
57.06812	0.3
57.07076	3.4
58.06373	0.2
58.06623	0.4
60.08166	6.5
67.05507	1.5
69.03446	0.3
69.07056	0.8
71.07375	3.1
71.08636	2.4
79.05481	0.8
81.03419	6.9
81.03903	0.4
81.07060	1.9
83.05000	0.5
83.08614	1.8
85.10186	1.3
86.09708	28.5
87.10040	0.3
91.05479	1.1
93.07045	0.5
95.04965	2.0
95.08614	2.0
97.02889	0.2
97.10159	0.5
98.22565	0.3
98.98463	2.8
104.10754	1.7
105.07037	0.9
107.04955	0.3
107.08594	0.3
109.06539	0.3
109.10161	0.9
111.08097	0.5
114.71951	0.2
119.08575	0.8
121.06538	0.2
121.10154	0.5
123.04435	0.2
123.11687	0.4
125.00005	18.0
129.06985	0.5
131.08546	0.6
133.06540	0.3
133.10107	0.3
139.68236	0.2
145.10135	0.2
147.08063	0.3
147.11705	0.7
149.09601	0.3
157.10127	0.8
160.50368	0.2
165.16478	0.2
175.11160	0.6
184.07344	100.0
185.07695	1.4
193.12215	2.6
239.23663	0.3
249.14920	0.3
267.15927	10.6
268.16266	0.4
285.36826	0.2
302.14844	0.2
309.17175	0.3
313.27371	10.7
314.27652	0.5
505.38879	8.5
506.39169	0.7
688.45453	9.9
689.45880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80953	0.7
53.03945	1.7
53.96049	0.7
55.01857	0.8
55.05511	6.9
57.03187	0.9
57.03440	12.1
57.07078	27.6
60.08171	5.6
67.05511	12.3
69.03421	2.0
69.07061	6.1
69.16825	2.4
69.17225	1.7
71.04974	1.3
71.07355	2.1
71.08270	1.1
71.08633	19.5
79.05493	7.2
79.97705	0.8
81.03418	53.1
81.06629	1.1
81.07057	14.7
83.04959	3.2
83.08620	15.9
85.02885	1.4
85.06538	0.8
85.10186	12.7
86.09191	1.4
86.09705	24.8
87.63754	0.8
89.12313	0.7
91.05474	10.4
93.07053	5.4
95.04971	16.7
95.08604	15.9
97.02898	1.5
97.06487	0.8
97.10162	4.5
98.98454	2.4
99.11696	1.0
103.07581	1.4
104.10746	2.0
105.07026	6.3
107.04954	3.3
107.08587	2.4
109.06508	2.2
109.10160	6.4
111.04414	1.4
111.08067	5.1
119.08589	6.1
121.06455	1.7
121.10125	3.9
123.04403	0.8
123.08060	1.2
123.11697	2.7
125.00001	15.6
129.07002	6.0
131.08554	4.6
133.06491	1.9
133.10159	3.5
133.76332	0.8
137.09676	1.2
137.13275	0.7
142.07774	1.2
145.10114	0.9
147.08038	2.3
147.11668	4.2
149.09619	2.0
157.10133	4.1
163.11205	1.8
175.11182	6.0
184.07343	86.4
185.07706	0.8
193.12242	19.3
211.13327	1.9
235.13274	1.1
239.23633	1.5
257.24747	1.9
259.13376	0.8
267.15915	100.0
268.16309	3.2
271.87170	0.7
272.39868	0.7
285.16974	2.2
301.14371	0.9
309.16925	1.3
313.27362	98.2
314.27698	4.3
327.99603	0.7
505.38889	69.1
506.38919	4.9
523.39630	2.3
547.39832	2.7
582.87396	0.9
601.40393	1.1
613.41315	1.0
631.41974	1.0
688.45410	10.8
738.44263	1.0
739.41193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01839	0.8
55.05509	5.9
57.03439	10.5
57.07077	25.4
57.07334	1.3
57.52502	0.6
60.08162	3.3
61.02895	0.8
67.05503	10.3
69.03405	1.7
69.07069	5.9
70.71926	0.6
71.04965	0.9
71.07336	1.5
71.08630	17.2
73.70470	0.7
79.05498	6.6
81.03416	46.1
81.07055	13.6
83.04926	2.1
83.08618	13.9
85.10184	8.9
86.09703	11.2
87.61313	0.7
89.05997	1.2
91.05484	7.9
93.07045	4.5
95.04974	11.4
95.08039	1.1
95.08604	13.8
97.02856	1.8
97.10175	4.4
98.98427	1.5
101.56848	0.6
103.07597	0.8
104.10706	0.9
105.07027	5.5
107.04913	2.7
107.08562	2.1
109.06477	1.5
109.10162	5.9
111.04434	1.2
111.08057	3.9
117.06973	0.9
119.08586	7.1
121.06484	1.1
121.10117	3.0
123.04406	0.7
123.11655	2.2
125.00001	9.1
125.09588	0.9
125.23040	0.7
129.06999	5.3
131.08568	4.8
133.06427	2.0
133.10103	2.6
137.13266	1.1
142.07695	1.8
147.08012	1.9
147.11710	3.6
149.09550	2.1
157.10121	5.9
158.29665	0.7
175.11180	5.3
184.07339	52.8
193.10515	1.3
193.12234	20.2
211.13260	1.9
228.54910	0.8
235.13193	1.5
239.23669	1.1
249.14992	1.1
257.24722	2.1
259.13260	0.9
267.15900	100.0
268.16110	3.7
301.14435	1.5
309.16925	1.8
313.27362	96.1
314.27664	2.4
505.38843	77.6
506.39325	4.7
523.39935	1.4
547.40063	3.6
601.41473	1.0
655.00989	0.7
688.45685	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	739.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	1.1
56.19292	0.8
66.47050	0.8
67.05507	2.0
68.21906	0.9
69.03429	0.9
69.07050	1.2
78.60945	1.0
79.05518	2.0
80.27991	0.8
81.03378	1.8
81.07057	1.6
83.08621	1.0
85.02933	0.9
91.05497	1.5
93.07058	1.0
95.04969	1.0
95.08598	0.8
97.02840	1.0
99.73570	0.8
105.07054	1.3
107.08612	1.3
109.10134	1.4
119.08618	1.7
120.08162	0.8
140.12622	0.7
160.91933	0.9
224.51212	0.9
235.57518	0.9
275.20197	1.0
303.91312	0.9
362.61118	0.9
432.76431	0.9
442.40546	0.8
541.35840	1.4
555.00977	1.0
559.60516	0.9
637.32001	2.7
641.39148	0.8
661.47949	0.8
739.36621	100.0
740.36859	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	739.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.05502	0.5
56.05037	0.2
60.04510	0.2
63.01238	0.1
67.05518	0.9
68.05023	0.2
69.03427	0.3
70.06239	0.2
70.06593	2.5
71.04980	0.6
72.98330	0.1
73.58554	0.1
75.22175	0.1
79.05483	0.6
81.07046	0.3
82.06590	0.3
83.01326	0.3
83.04987	0.2
83.07343	0.4
84.01746	0.1
84.08146	9.7
85.06491	0.2
91.05495	0.8
93.07048	0.8
94.06590	0.1
95.04952	0.4
95.07281	0.1
95.08595	1.1
96.08144	0.7
97.04289	0.1
97.08909	0.7
98.23434	0.4
99.04459	0.4
105.45991	0.1
106.06555	0.5
107.04943	0.5
107.08594	0.2
108.08109	0.5
109.06518	0.2
109.08893	0.2
110.06110	0.2
110.09674	0.5
113.06030	0.2
115.03884	0.2
117.07003	0.4
118.06538	0.2
119.04943	0.2
119.08554	0.4
120.08117	0.2
121.06504	0.2
122.09676	2.2
123.08076	0.2
123.10448	0.3
124.11224	0.6
127.03917	0.7
129.06996	0.3
130.06532	0.2
131.08548	0.5
132.08138	0.1
133.06479	0.4
134.09657	0.5
135.08043	0.3
136.11223	2.5
137.05983	0.2
137.09506	0.1
137.12032	1.3
138.12782	3.2
139.07530	0.2
141.05484	0.4
142.07684	0.2
143.08534	0.3
145.06505	0.4
145.10101	0.3
146.09639	0.2
147.08083	0.2
147.11600	0.2
150.12773	0.3
151.03859	0.2
151.07491	0.2
152.10690	0.3
153.05487	0.3
155.03360	0.7
155.07043	0.5
155.08533	0.2
157.10121	0.4
159.08015	0.2
160.11232	0.2
161.09637	0.2
164.14302	0.9
165.05519	0.6
165.09145	0.2
165.15091	0.2
166.15932	0.5
167.07040	0.5
167.08473	0.2
170.11751	0.4
172.11165	0.3
173.09583	0.3
181.08655	0.2
183.06543	0.7
183.07976	0.2
185.09567	0.3
187.07587	0.3
189.09140	0.2
192.13831	0.3
194.15424	0.4
195.06624	0.2
201.09109	0.3
204.13870	0.2
207.06558	0.2
214.12396	0.1
217.08621	0.2
218.11806	0.3
220.13393	0.2
222.14897	9.4
223.15260	0.2
236.12743	0.3
244.16945	0.4
246.14926	0.3
247.09843	0.2
249.11234	0.2
261.11234	0.6
262.14597	0.2
263.09155	0.3
272.20715	0.1
273.11221	0.9
275.12817	0.2
276.19714	0.3
277.16772	0.2
290.13858	0.3
305.16217	0.3
318.17041	0.8
319.17380	0.5
320.18567	100.0
321.18909	4.4
402.18835	0.3
420.20163	55.6
421.20541	2.7
456.63751	0.1
642.12512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
55.05500	0.2
59.89019	0.2
67.05504	0.4
68.05035	0.3
69.03426	1.6
70.06590	2.6
71.04991	1.0
79.05495	0.6
80.05023	0.5
81.07061	0.8
83.07371	0.2
84.08144	1.0
91.05496	0.3
93.07050	0.7
94.06598	0.5
95.04974	0.3
95.08630	0.4
96.08122	0.7
96.35637	0.2
96.36312	0.2
97.08931	0.2
98.06086	0.2
98.59100	0.2
99.04459	0.4
107.04982	0.3
107.08593	0.4
108.08096	0.3
109.06518	0.2
109.10127	0.2
110.09676	0.6
111.08098	1.0
113.06008	0.2
119.08607	0.4
121.06552	0.2
121.10107	0.2
122.09674	1.3
123.08064	0.7
124.07585	0.2
124.11213	0.4
125.06007	0.2
125.09621	0.2
127.03914	1.7
128.07092	0.2
129.05499	0.2
131.08546	0.3
131.66293	0.2
134.09679	0.5
135.08102	0.3
136.07632	0.1
136.11189	1.2
137.09596	0.2
138.12848	0.2
139.07527	0.3
141.05518	0.5
145.10147	0.3
147.14113	0.2
148.11258	0.2
149.09676	0.2
150.09117	1.6
152.10738	1.0
153.09053	0.2
154.12283	0.5
159.11653	0.2
160.11212	0.3
162.12816	0.3
165.09116	0.2
166.15945	0.4
167.07042	7.0
168.10193	1.5
175.11287	0.2
176.14378	0.2
180.13773	0.2
182.11765	2.6
184.13362	0.6
190.15942	0.3
192.13986	0.2
194.15404	0.4
198.11249	0.2
204.61630	0.2
212.52901	0.2
218.15532	0.2
222.14960	0.2
234.14793	0.2
236.16417	1.3
251.12773	1.4
264.19666	1.3
274.18011	0.2
276.16257	0.2
279.38168	0.2
292.19031	5.7
293.19464	0.3
307.53195	0.2
320.18457	1.2
322.20117	1.4
337.07242	0.3
338.07419	0.3
346.20114	1.5
402.22806	0.3
420.23792	100.0
421.24146	5.5
707.41174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01874	0.5
55.05507	1.3
57.03434	1.8
57.07071	3.1
59.04992	0.4
61.02924	5.1
67.05507	2.0
69.03436	2.7
69.07076	1.3
69.09375	2.0
69.09789	0.8
71.08646	2.7
73.02918	3.5
79.05483	1.1
80.29111	0.4
80.72845	0.4
81.03429	3.3
81.07068	3.1
82.62662	0.4
83.08614	1.8
85.02905	4.1
85.10195	1.0
86.09718	1.0
90.37986	0.3
90.87658	0.3
91.03945	3.0
91.05492	1.4
93.07047	1.2
95.04974	0.8
95.08611	1.9
97.02899	3.6
97.10167	0.6
99.00819	0.7
99.04499	0.5
101.02377	2.1
105.07032	1.2
109.02898	1.1
109.10172	0.9
111.08069	0.5
111.11732	0.4
115.03922	0.3
119.08592	0.9
123.11765	0.6
125.00002	0.6
127.03933	1.4
130.17491	0.4
133.10152	1.5
145.04970	0.4
150.89027	0.4
151.11168	0.7
153.09634	0.4
160.46519	0.4
161.09645	1.3
179.10710	0.6
184.07382	3.7
185.04219	0.6
185.07742	0.6
189.09148	0.9
203.05316	0.5
205.69392	0.3
208.44879	0.4
225.11259	0.4
243.08446	1.1
265.10492	0.9
267.15866	2.1
268.16306	0.9
299.14880	0.4
299.25824	0.9
300.26230	1.2
313.27371	1.3
314.27826	0.9
341.48337	0.4
483.18359	6.5
492.37967	1.1
497.30823	4.1
506.39297	0.8
602.74042	0.4
689.45044	0.7
739.42340	100.0
740.42566	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	740.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01870	5.0
55.05511	14.0
57.03444	9.6
59.04993	3.4
65.03952	1.5
67.05509	20.3
69.03424	5.3
69.07061	7.4
70.06588	1.4
71.04991	4.3
79.05490	19.5
81.03418	42.0
81.07055	17.3
83.01335	2.7
83.04977	8.1
83.08626	10.3
85.02921	5.7
85.06559	1.5
87.04466	3.5
91.05479	17.0
92.80686	1.0
93.07061	14.8
95.04969	15.4
95.08598	8.2
97.02896	5.4
97.06532	4.6
97.10181	6.9
99.04464	3.7
101.88884	1.1
105.07034	13.5
107.04961	6.1
107.08609	11.0
109.02882	2.1
109.06516	5.4
109.10179	10.1
111.04452	2.2
111.08096	5.5
117.07012	3.2
119.08598	11.8
119.86123	1.2
121.06510	3.5
121.10136	8.5
123.08077	5.2
125.09629	5.0
127.03964	1.2
128.11327	1.2
129.07042	6.3
130.53148	1.1
131.08572	6.5
133.06465	1.9
133.10129	4.7
135.08063	2.5
135.11684	4.6
137.09676	1.2
143.08522	1.8
144.05803	1.3
145.10118	8.5
147.04390	1.6
147.08029	3.9
147.11702	5.1
149.09641	3.8
153.09085	1.5
153.12740	3.3
155.08597	2.8
157.10100	7.0
159.11656	1.3
161.05986	2.3
163.11172	12.3
169.10118	1.7
173.09624	3.8
173.11682	2.8
175.11166	6.5
181.12358	2.4
183.11656	1.5
187.11223	1.2
189.09174	1.9
189.11186	1.7
191.10631	2.3
193.12262	13.9
198.27776	1.2
198.58780	1.2
205.12285	3.1
209.11789	3.3
211.13292	7.6
213.09148	1.2
214.17949	6.5
215.10452	1.5
225.12938	1.4
227.12636	1.6
229.14395	5.2
231.13808	2.6
233.11693	2.2
249.14835	1.9
267.15918	20.5
268.16299	1.5
273.14816	1.9
283.15448	15.3
285.17007	2.8
289.14243	1.9
301.16470	1.7
315.18222	1.6
355.22610	2.5
365.21072	1.9
383.22183	10.4
388.21243	9.7
388.71228	1.7
389.21475	1.5
401.23056	5.3
409.25885	1.2
411.46957	1.3
419.24313	1.4
421.25125	2.2
424.30554	2.0
439.26688	5.4
447.27386	4.7
457.25842	21.3
461.28912	1.6
475.26898	100.0
476.27371	5.8
493.27985	10.5
511.28326	1.4
512.94843	1.3
527.20715	1.5
716.60895	1.6
740.38403	26.8
741.37213	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01873	10.2
55.05257	2.0
55.05511	29.3
57.03439	23.2
57.07073	6.7
59.04994	3.3
61.02928	8.0
64.46137	0.9
65.03945	2.7
67.05504	72.6
69.03429	3.7
69.07069	18.8
71.01343	1.3
71.04978	6.2
71.08623	2.3
73.02909	3.2
73.06546	1.0
77.03905	1.8
79.05493	61.2
81.03414	19.7
81.07058	75.4
82.03764	1.4
82.07393	2.1
83.01336	10.0
83.04982	15.4
83.08121	1.3
83.08617	21.0
83.23878	0.9
85.02905	12.9
85.06533	2.2
85.10170	1.0
91.03967	2.5
91.05480	38.3
93.07043	72.4
95.04969	14.4
95.08606	49.6
96.05305	1.8
96.08956	1.3
97.02902	6.9
97.06539	7.7
97.10159	6.7
97.54636	0.8
97.95583	0.8
98.80886	1.1
99.04478	2.7
99.08100	1.5
105.04509	4.0
105.07032	22.6
106.07352	1.0
107.04967	9.5
107.08594	37.8
109.06521	10.7
109.10158	19.0
111.04447	3.4
111.08080	4.7
113.09601	0.9
117.07023	13.8
119.08577	21.1
121.06571	4.4
121.10143	29.9
123.08071	10.5
123.11729	7.7
125.05986	1.8
125.09622	4.1
127.03918	1.7
129.07019	3.6
131.08568	15.4
133.06427	1.0
133.10130	12.4
135.08083	2.4
135.11690	26.3
137.09589	2.9
137.13246	1.1
139.11198	1.3
143.08588	1.3
145.06386	1.7
145.10126	24.3
145.11227	2.0
147.08043	2.5
147.11665	7.6
149.09647	1.4
149.13303	8.3
153.12740	4.9
155.08568	2.0
157.10126	1.0
158.93378	0.8
159.08093	1.1
159.11694	7.0
161.13293	5.4
163.11179	27.3
163.14865	2.0
165.12572	1.2
171.11700	1.2
173.09676	2.7
173.13208	5.5
174.13924	1.0
175.11226	1.1
175.14856	2.4
177.16415	1.3
181.12250	4.1
184.07306	2.0
187.14847	3.1
189.11206	1.8
191.10724	2.2
193.12257	3.1
195.11610	1.0
201.16357	1.6
209.11700	5.6
211.13092	1.0
227.12755	10.9
243.21104	4.7
254.80934	0.9
261.22119	16.1
267.15967	5.7
268.16342	2.7
269.16446	2.5
283.15399	97.0
284.15677	2.1
299.23672	6.2
313.27380	4.9
314.27750	3.1
315.27963	2.5
317.24777	4.5
333.24335	1.9
335.25797	100.0
336.26123	4.0
376.75607	0.9
433.31009	1.8
451.32025	3.3
469.33246	2.2
487.34375	1.0
505.38422	1.9
506.39059	1.9
507.39362	3.6
525.35663	3.6
543.36816	74.6
544.36975	4.4
561.37939	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
53.06373	0.4
53.58093	0.3
55.01877	1.7
55.05513	11.5
57.03439	8.4
57.07074	1.7
61.02895	1.2
65.03909	1.5
67.05506	35.5
68.05809	0.4
69.03401	1.4
69.07071	9.2
71.04995	2.6
71.08613	0.6
73.02897	0.9
77.03902	0.8
77.23584	0.3
79.05494	28.5
81.03422	2.0
81.07058	36.1
82.07355	0.6
82.14127	0.3
83.04986	2.9
83.08133	0.5
83.08618	8.1
85.02875	0.8
85.06510	0.9
86.09714	0.6
91.05482	13.4
92.05765	0.4
93.07046	40.3
94.07341	0.6
95.04414	0.4
95.04966	5.9
95.08607	43.4
96.08924	0.6
97.02900	2.8
97.06535	3.6
97.10128	1.5
99.04454	2.6
99.08091	0.6
103.05434	1.0
105.04548	1.8
105.06365	0.6
105.07031	9.5
107.04949	5.2
107.08594	25.0
107.26767	0.4
109.06499	1.8
109.10160	10.0
111.04413	0.9
111.08043	0.8
113.06000	0.5
113.09628	0.4
115.05400	0.4
117.07018	6.8
119.07750	0.5
119.08585	10.4
121.06518	3.8
121.10144	15.9
123.08061	0.6
123.11717	1.9
125.05986	1.7
125.09562	0.4
127.03942	0.4
127.07567	0.5
129.06969	0.5
130.07767	1.3
131.07780	0.4
131.08569	3.9
133.10135	4.8
135.08134	1.6
135.11693	34.2
136.12036	0.5
137.13242	1.1
139.07475	1.0
143.08551	0.7
145.10126	19.1
147.11682	2.3
149.13263	2.4
155.08490	0.5
159.11668	1.6
161.13260	1.9
163.11180	36.2
163.14787	1.1
164.11554	0.4
171.11536	0.4
173.09636	0.7
173.13229	2.2
175.14752	0.6
177.16417	0.5
181.12233	6.2
184.07307	3.7
187.14783	0.7
203.65027	0.3
209.11726	1.6
227.12779	44.7
228.12990	0.8
243.21144	1.8
249.94931	0.4
261.22104	5.7
283.15399	54.1
284.15756	0.5
299.23459	0.4
317.24695	1.7
335.25800	100.0
336.26224	2.7
350.47720	0.3
469.32990	0.5
543.36810	78.1
544.37115	3.9
716.40240	0.4
740.41895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01645	0.6
55.01877	6.0
55.05509	19.2
57.03438	13.2
57.07081	4.4
59.04990	2.5
60.08150	1.5
61.02925	3.9
65.03928	1.4
67.05504	37.2
69.03424	2.4
69.07072	11.1
69.79158	1.9
71.01367	0.6
71.04990	3.0
71.07354	1.1
71.08626	1.8
73.02904	0.9
77.03939	0.8
79.05491	31.6
81.03414	11.9
81.07054	38.5
82.03753	1.0
83.01332	6.5
83.04980	8.2
83.08622	12.8
85.02906	6.8
85.06535	1.3
85.10175	1.0
86.09711	6.4
87.10054	1.3
91.03947	2.0
91.04938	1.3
91.05481	16.7
91.06056	1.0
93.07043	39.5
95.04967	8.3
95.08610	25.8
95.09216	1.4
97.02901	3.7
97.06540	5.3
97.10161	3.9
98.22776	0.9
99.04465	1.9
99.08078	0.9
103.05508	0.8
104.10744	0.6
105.04498	1.4
105.07022	13.0
107.04951	6.9
107.08591	23.4
109.06514	5.9
109.10152	11.2
111.04447	2.6
111.08080	3.0
112.55648	0.6
115.05548	0.7
115.56645	0.6
117.07017	9.0
119.08576	11.0
121.06523	3.6
121.09264	0.9
121.10146	16.0
123.04420	1.1
123.08089	7.3
123.11713	4.2
124.99996	4.2
125.05985	1.7
125.09631	3.3
129.06996	2.3
130.07794	0.7
131.08560	10.0
133.10114	7.5
135.08080	2.2
135.11690	17.2
137.09631	2.3
137.13261	1.4
139.07515	1.0
139.20010	0.8
143.08511	1.2
145.10114	16.0
146.50655	0.5
147.08041	1.6
147.11688	4.9
149.09583	1.0
149.13242	5.7
153.12744	2.5
155.08504	1.2
157.10071	1.1
159.11658	4.5
161.13237	3.7
163.11182	20.7
163.14848	2.0
173.09615	2.4
173.13266	3.3
175.14816	1.7
177.16365	1.1
181.12228	2.5
183.11887	0.6
184.07339	23.8
185.07701	5.9
186.07825	2.8
187.14818	2.2
189.11215	1.5
191.10677	3.1
193.12254	2.1
201.16483	1.3
209.11702	6.2
213.16452	0.6
227.12798	10.8
237.21230	0.6
243.20993	3.8
246.67142	0.5
259.20593	1.1
261.22153	12.5
267.15887	4.6
268.16299	3.3
268.89120	0.6
269.16589	1.3
279.10242	0.6
283.15393	100.0
284.15768	1.7
285.16806	0.6
299.23550	4.0
313.27515	2.8
314.27695	2.7
315.27960	1.2
317.24768	3.3
333.24158	1.3
335.25790	68.7
336.26129	2.7
423.32516	1.1
433.30914	2.0
445.36838	0.6
451.32080	3.4
469.33157	2.5
487.34247	1.0
505.39185	0.7
506.39175	1.6
507.39594	2.8
515.37280	1.5
525.35809	5.2
543.36804	47.5
544.36627	2.1
546.02069	0.7
556.94873	0.6
561.37561	3.0
690.45959	2.7
741.44452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.01871	8.8
55.05523	27.2
56.57271	3.1
57.03437	14.3
61.02938	7.9
61.37433	3.3
64.55544	3.5
65.03929	4.3
67.05508	61.6
69.03421	7.6
69.07066	21.9
69.15824	7.9
69.16236	14.7
70.06554	3.8
71.04993	5.1
79.05495	72.1
81.03424	52.1
81.07058	64.3
83.04991	19.5
83.08624	18.8
85.02921	22.3
87.15671	3.7
91.03949	3.7
91.05480	83.2
92.05863	3.3
93.07050	74.0
95.04986	29.2
95.08620	35.1
97.02852	3.4
97.06535	7.5
97.10181	6.3
105.07030	88.9
107.04937	7.5
107.08607	36.9
109.10165	14.6
111.04461	4.0
111.08086	8.0
113.06029	4.0
117.07021	21.3
119.08589	76.3
121.10168	31.3
123.11658	3.3
125.09643	3.5
128.06197	4.1
129.07011	21.3
131.08565	39.7
133.06497	3.9
133.10132	56.9
135.11700	14.8
141.06902	4.6
142.07747	5.1
143.08562	14.1
144.09277	4.0
145.10120	27.0
147.11696	40.3
149.09650	7.9
149.13249	10.1
155.08575	5.9
157.10155	22.5
159.11696	16.7
161.13214	27.8
163.11194	5.8
165.71953	4.0
169.10165	6.8
171.11714	15.8
173.13255	10.1
175.11217	13.9
175.14839	8.0
185.13313	9.4
193.12268	39.7
197.13283	4.3
199.14934	5.1
211.13301	42.9
211.14890	4.6
227.12820	6.6
231.21069	6.4
241.19524	24.6
259.20584	85.9
267.15967	23.5
285.16998	54.5
306.27835	3.8
315.23245	4.7
333.20563	5.9
333.24289	72.3
335.25482	3.5
343.69501	3.6
433.31039	7.7
451.32117	8.6
507.34250	3.7
515.37079	3.6
525.29999	3.3
525.35956	32.6
543.36896	100.0
544.36108	6.1
561.37457	7.8
740.38245	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	741.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
71.43621	1.2
75.02393	0.9
79.05482	5.1
91.05486	1.5
95.04979	1.7
103.05470	7.3
104.34750	0.8
105.07027	44.5
115.05455	8.3
118.04158	2.7
119.04929	0.9
123.28938	0.9
131.04907	2.2
132.05759	1.1
133.06490	36.0
133.73647	0.9
143.06013	4.2
148.05228	1.5
156.98727	0.9
161.05974	52.1
162.06253	1.0
163.07625	1.3
175.03642	0.9
184.04948	4.1
185.05717	1.4
191.07062	5.9
193.08588	11.1
205.87346	0.9
215.06808	4.7
228.07591	0.9
308.08768	1.4
316.66608	0.8
340.07407	1.0
351.10568	1.9
381.11472	3.3
492.30170	0.9
573.19415	100.0
574.19690	6.9
664.62231	0.9
741.23438	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	741.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13830	0.9
67.05522	0.9
69.03447	1.0
69.07067	1.1
73.63728	0.8
79.05517	1.1
81.03416	0.9
81.07069	1.5
85.02891	0.9
105.07066	1.0
153.60486	0.8
221.15552	0.8
225.42726	0.7
247.35992	0.9
255.29472	0.9
267.09000	1.4
354.84155	0.9
485.16928	1.1
616.08246	0.9
741.34540	100.0
742.34906	8.7
759.26825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01872	0.8
55.05523	1.5
57.03447	2.0
58.94767	0.4
59.04991	0.5
61.02933	4.0
63.22841	0.4
67.05495	3.3
69.03436	3.2
69.07083	1.2
69.95873	0.8
69.96201	0.6
71.01344	0.5
71.05008	2.1
73.02921	3.4
79.05489	3.3
81.03432	5.3
81.07061	3.8
83.04989	0.9
83.08636	1.9
85.02898	4.2
85.06583	0.7
91.03979	1.7
91.05483	4.2
93.07057	3.0
95.04973	2.5
95.08625	1.7
97.02898	4.1
97.06533	0.9
99.04469	1.2
101.02410	1.4
103.97087	0.4
105.07034	2.5
107.04975	0.7
107.08628	1.0
109.02925	1.1
109.06561	1.0
109.10186	1.0
111.04460	0.5
111.08102	0.9
117.07047	0.8
119.08578	2.7
121.10159	1.5
123.08075	0.6
125.09681	0.8
127.03930	1.4
129.07011	0.8
131.08624	1.4
133.06512	0.5
133.10175	1.5
135.11717	0.7
145.10158	0.8
147.11684	2.4
149.09613	1.0
157.10167	0.9
163.11258	1.3
165.12811	0.6
175.11227	0.7
193.12376	1.2
203.05396	0.4
223.13461	0.5
243.08350	2.5
245.25778	0.4
249.11053	0.5
265.14249	0.8
267.15887	0.6
283.15326	1.1
388.21170	0.5
388.46429	0.5
425.13892	0.5
461.29340	0.5
462.29510	1.3
465.20993	1.1
467.18848	4.7
481.20670	1.4
483.22293	1.0
501.23303	2.3
513.23059	0.6
515.24860	3.0
544.25446	0.5
651.33929	0.5
709.34198	0.6
741.36737	100.0
742.37061	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	741.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54427	0.2
55.01880	0.2
55.05498	0.2
59.94652	0.2
61.82047	0.1
67.05512	0.4
68.05024	0.8
69.03432	0.8
69.07050	0.4
69.39834	0.7
70.06593	0.7
71.04993	0.4
78.16542	0.2
79.05505	0.5
81.07057	0.3
82.06572	1.1
83.01336	0.9
83.07360	0.9
84.08150	2.2
85.06538	0.2
86.06055	0.3
89.36024	0.2
91.05473	0.4
93.07042	0.6
94.06558	0.3
95.04949	0.3
95.08604	0.5
96.08134	2.1
97.08907	0.3
98.06054	0.2
105.07043	0.4
106.06526	0.2
107.08581	0.2
108.08118	0.4
109.06511	0.3
110.09701	0.5
111.08082	0.3
115.03930	0.6
119.08593	0.3
120.08105	0.2
121.06484	0.7
122.09669	0.8
123.08065	0.4
123.10435	0.3
124.11238	0.8
126.12775	0.3
127.03925	0.2
129.07010	0.2
131.08524	0.2
134.09651	0.3
135.08061	0.5
136.11200	1.2
137.05965	0.2
137.09650	0.5
137.12006	0.3
138.12775	1.6
140.07068	0.9
143.03395	0.5
147.08069	0.3
148.11172	0.3
149.09634	0.5
150.12770	0.7
151.07567	0.2
152.10707	0.5
153.05457	0.2
154.12244	0.6
155.07040	1.6
159.08098	0.2
160.11263	0.2
162.12813	0.3
163.07426	0.3
164.14355	0.9
165.09087	0.2
165.12672	0.2
166.12321	0.2
167.10724	0.2
170.11765	1.4
175.14879	0.3
176.14372	0.5
177.12849	0.3
178.15955	0.5
179.07045	0.2
180.10320	0.2
182.11852	0.2
183.06520	0.3
184.59192	0.2
188.14445	0.2
189.12650	0.2
190.12378	0.2
194.11761	7.1
194.15427	0.3
195.12164	0.2
203.14326	0.3
204.13783	0.4
204.17447	0.3
205.15990	0.4
206.15463	0.3
206.19101	0.4
207.06592	0.2
208.13324	1.3
215.14284	0.3
220.13383	0.3
222.14885	2.3
223.15344	0.3
231.10155	0.2
232.17003	0.5
233.15395	0.3
234.18486	0.2
236.16449	0.3
250.18085	1.1
262.17972	0.2
278.17502	3.6
280.19049	0.6
296.18558	0.3
318.17310	0.2
318.20758	0.6
320.18552	18.0
321.18945	2.6
322.19177	1.0
350.23373	0.3
376.21078	0.3
378.22763	0.9
386.19638	0.2
387.17886	0.2
390.19101	0.6
394.22119	0.5
404.20660	1.0
420.20047	0.5
421.20456	0.7
422.21701	100.0
423.16245	0.3
423.22031	5.6
741.30127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.8
55.15137	0.7
57.07069	0.9
61.02930	1.2
61.96319	0.8
67.05512	1.3
69.03440	1.5
70.24762	0.8
71.43279	0.8
79.05484	1.6
81.07066	1.1
83.08632	0.9
85.02907	1.2
93.07081	1.0
95.05003	0.8
95.08614	1.3
97.02927	1.1
102.99464	0.8
107.08592	1.2
108.89876	0.8
140.56822	0.9
168.68221	0.8
190.39856	0.9
195.81978	0.9
218.21758	1.0
218.23894	0.8
330.28796	0.9
335.25626	0.8
467.18677	1.3
485.19739	1.1
741.42096	100.0
742.42688	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	741.432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83197	0.4
66.45464	0.4
67.05518	1.0
69.03427	4.4
70.06605	3.2
71.04984	1.5
79.05490	1.5
81.07063	6.0
82.04229	0.4
82.06609	0.6
83.07423	0.5
84.08147	1.5
84.59268	0.4
91.05480	0.5
93.07047	1.1
94.06553	0.6
95.04922	0.5
95.08601	0.9
96.05752	0.5
96.08117	1.1
97.02913	0.7
97.06525	0.6
97.08878	0.7
97.71464	0.5
98.60524	0.5
105.07032	0.8
107.08598	3.3
109.06499	3.5
109.10150	0.5
110.09679	2.2
111.08083	1.8
117.07030	0.4
122.09660	1.3
123.04453	0.5
123.08076	1.2
124.08834	2.2
125.05996	0.6
131.08600	0.6
133.35498	0.4
134.09656	0.8
135.08044	1.2
136.11198	0.7
137.05981	22.1
138.12842	0.4
146.09630	0.5
148.11269	0.7
160.11285	0.7
161.09618	0.5
162.12787	2.3
164.14366	1.0
175.11215	1.0
178.15826	0.4
182.11919	0.6
184.13419	0.6
190.15912	1.2
192.13905	0.8
192.17493	0.7
196.13327	0.7
198.14862	1.3
205.32552	0.5
218.15367	0.5
219.10208	0.6
221.11728	7.5
236.16634	1.0
250.18027	5.5
264.19534	0.6
278.18311	0.6
278.21091	3.3
288.63773	0.4
290.17477	1.4
292.19110	2.1
306.20709	0.9
316.19101	10.4
324.21719	1.1
390.22711	7.5
404.24323	35.1
405.24652	1.6
422.25363	100.0
423.25696	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	741.432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83197	0.4
66.45464	0.4
67.05518	1.0
69.03427	4.4
70.06605	3.2
71.04984	1.5
79.05490	1.5
81.07063	6.0
82.04229	0.4
82.06609	0.6
83.07423	0.5
84.08147	1.5
84.59268	0.4
91.05480	0.5
93.07047	1.1
94.06553	0.6
95.04922	0.5
95.08601	0.9
96.05752	0.5
96.08117	1.1
97.02913	0.7
97.06525	0.6
97.08878	0.7
97.71464	0.5
98.60524	0.5
105.07032	0.8
107.08598	3.3
109.06499	3.5
109.10150	0.5
110.09679	2.2
111.08083	1.8
117.07030	0.4
122.09660	1.3
123.04453	0.5
123.08076	1.2
124.08834	2.2
125.05996	0.6
131.08600	0.6
133.35498	0.4
134.09656	0.8
135.08044	1.2
136.11198	0.7
137.05981	22.1
138.12842	0.4
146.09630	0.5
148.11269	0.7
160.11285	0.7
161.09618	0.5
162.12787	2.3
164.14366	1.0
175.11215	1.0
178.15826	0.4
182.11919	0.6
184.13419	0.6
190.15912	1.2
192.13905	0.8
192.17493	0.7
196.13327	0.7
198.14862	1.3
205.32552	0.5
218.15367	0.5
219.10208	0.6
221.11728	7.5
236.16634	1.0
250.18027	5.5
264.19534	0.6
278.18311	0.6
278.21091	3.3
288.63773	0.4
290.17477	1.4
292.19110	2.1
306.20709	0.9
316.19101	10.4
324.21719	1.1
390.22711	7.5
404.24323	35.1
405.24652	1.6
422.25363	100.0
423.25696	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	741.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01864	0.5
55.05502	2.8
57.03439	2.4
57.07074	0.7
61.02931	5.2
67.05509	4.6
69.03425	3.0
69.07079	3.7
71.01368	0.5
71.05007	0.8
71.55069	0.4
73.02925	3.4
77.91505	0.3
78.45901	0.4
79.05497	4.1
81.03416	3.2
81.07055	5.9
83.05014	0.9
83.08637	2.7
84.05319	0.3
85.02900	5.1
85.03355	0.5
86.57153	0.4
87.04477	0.7
91.03957	3.4
91.05470	2.7
93.07046	5.2
95.04967	1.9
95.08617	4.2
97.02904	4.9
97.06544	0.6
97.10191	0.9
99.04472	1.1
101.02380	1.8
103.03941	0.7
105.07035	1.3
107.05003	0.8
107.08608	2.6
109.02900	1.0
109.10157	2.1
111.08118	0.5
111.11728	0.4
117.07020	0.7
119.08584	1.8
121.10164	3.2
123.11729	1.0
127.03950	1.4
129.23575	0.4
131.08591	1.5
133.10176	1.4
135.11679	2.6
137.13354	0.4
139.11221	0.7
145.04974	0.4
145.10176	1.5
147.08214	0.4
147.11713	0.7
149.02454	0.4
149.09691	1.4
149.13264	0.4
157.10173	0.8
163.11189	2.0
173.09694	0.4
175.11261	0.8
185.04305	0.7
193.12321	1.2
198.38364	0.4
203.05342	0.3
211.13368	0.5
219.21382	0.4
225.11111	0.4
227.12793	2.2
237.22267	0.5
243.08417	2.3
251.12613	0.6
267.15887	0.5
269.13626	1.9
283.15317	2.7
311.25937	1.0
325.16284	0.4
335.25803	3.3
336.26236	0.8
425.18176	0.5
443.13196	0.7
443.18881	5.3
469.20560	2.8
487.21548	5.7
495.29245	8.1
495.35788	0.6
543.36768	2.1
544.37390	1.5
545.38391	1.0
561.37988	0.5
697.41443	2.0
723.42828	2.4
741.43933	100.0
742.44141	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	741.44
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01873	0.6
55.05507	1.1
57.03435	1.7
57.07080	2.1
59.05037	0.4
61.02931	3.7
63.52578	0.4
67.05505	3.1
69.03435	2.2
69.07079	1.4
71.04971	0.7
71.08630	1.8
73.02928	3.3
79.05503	1.8
80.99931	0.4
81.03417	2.1
81.07061	3.4
83.01350	0.5
83.08633	1.7
85.02903	4.3
85.10175	1.2
91.03960	2.2
91.05507	1.3
93.07059	1.8
95.04958	0.7
95.08611	3.3
97.02891	3.9
97.10163	0.7
99.04473	1.0
99.84368	0.4
101.02387	1.9
103.03982	0.5
105.07021	0.8
107.08594	0.9
109.02904	0.5
109.10159	1.5
111.97546	0.4
114.14084	0.5
117.07051	0.6
119.08582	1.1
121.10166	1.0
127.03928	1.1
131.08638	0.5
133.10207	0.7
135.11743	1.3
145.05072	0.7
145.10167	1.2
153.12767	0.8
161.76965	0.5
163.11192	2.1
185.04254	0.7
202.01559	0.4
209.11720	0.6
227.12859	0.5
243.08379	1.3
265.30072	0.4
267.12070	1.1
283.15417	2.0
313.27420	1.0
335.25900	0.7
337.27518	1.7
360.81134	0.4
392.53156	0.5
441.17273	4.8
467.18631	0.6
485.20044	5.1
497.30850	4.4
525.07062	0.5
545.38330	2.6
697.41516	1.9
707.23407	0.4
723.42462	0.6
741.43866	100.0
742.44116	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	742.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38095	0.5
54.46770	0.4
55.01871	0.6
55.05530	1.1
67.05505	1.6
69.03435	7.2
69.12862	3.2
69.31526	0.5
70.06601	1.4
76.65350	0.5
79.05505	1.2
80.05016	0.7
81.07074	1.3
82.06608	1.1
83.04997	1.4
83.07382	1.4
84.08157	0.8
85.02898	1.0
86.06078	1.5
86.09700	0.5
91.05489	2.7
93.07019	2.4
94.06577	0.8
95.04974	1.4
95.08609	0.5
96.08145	3.2
98.06066	0.6
98.09702	0.6
98.23451	1.0
100.11272	2.1
105.07052	1.9
106.06546	1.2
107.04980	1.1
108.08117	1.2
109.06506	0.5
110.09723	0.5
111.04424	1.2
111.08095	0.6
119.04956	0.8
119.08625	1.4
120.08102	3.1
121.06538	0.8
121.08898	0.7
122.09686	1.2
123.04436	0.8
124.11258	1.6
126.09209	0.5
126.12771	0.6
127.03970	0.7
128.10712	0.7
132.08098	0.5
133.06578	0.8
133.10176	0.7
134.09683	1.3
135.04459	0.7
136.11270	2.3
137.02373	1.9
137.06003	1.3
137.09610	0.7
138.12804	4.4
140.07025	0.6
140.14433	0.8
145.05019	0.7
145.06442	0.6
145.10118	0.9
147.04434	0.8
147.08081	0.8
148.07594	0.9
149.06039	0.6
150.09201	0.7
150.12817	0.6
152.10727	5.1
154.12337	1.2
155.03487	0.6
158.09779	0.5
159.08066	0.6
160.11176	0.8
161.06046	1.7
161.09676	2.0
162.12778	3.4
163.03909	2.3
163.07561	1.3
163.11278	0.5
164.07088	1.1
164.14369	0.7
165.05550	0.8
167.07121	0.7
170.11804	2.5
172.11290	0.6
173.06046	0.7
174.12744	0.7
175.04031	0.7
175.07600	1.3
176.14421	2.1
182.11858	0.6
188.14624	0.5
189.09142	1.6
190.12352	1.0
191.06964	0.6
192.07802	0.7
195.08055	0.6
202.15866	0.7
204.13875	3.1
205.08519	0.7
205.14766	0.7
207.06552	1.1
207.10219	1.6
208.13374	4.7
211.07518	0.6
213.09277	0.8
216.17589	0.9
220.13399	1.3
225.09129	1.0
228.17538	1.0
232.16988	0.6
242.15561	0.6
249.07579	9.7
250.18219	0.5
256.17081	2.1
258.18591	1.0
274.18094	2.1
275.12827	1.6
276.19684	1.3
277.08710	0.5
278.17609	0.6
282.12582	1.1
284.16602	2.2
302.17514	4.6
320.18604	9.7
347.83347	0.6
371.11411	1.4
388.21182	10.3
388.25833	0.7
432.24158	0.6
448.23315	7.1
476.22729	0.9
478.24319	0.5
494.23892	2.2
568.25464	7.3
583.48834	0.7
634.23090	0.7
696.30115	5.8
697.29742	0.6
710.24805	0.6
724.29279	0.8
737.87451	0.5
742.30688	100.0
743.31024	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	742.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38095	0.5
54.46770	0.4
55.01871	0.6
55.05530	1.1
67.05505	1.6
69.03435	7.2
69.12862	3.2
69.31526	0.5
70.06601	1.4
76.65350	0.5
79.05505	1.2
80.05016	0.7
81.07074	1.3
82.06608	1.1
83.04997	1.4
83.07382	1.4
84.08157	0.8
85.02898	1.0
86.06078	1.5
86.09700	0.5
91.05489	2.7
93.07019	2.4
94.06577	0.8
95.04974	1.4
95.08609	0.5
96.08145	3.2
98.06066	0.6
98.09702	0.6
98.23451	1.0
100.11272	2.1
105.07052	1.9
106.06546	1.2
107.04980	1.1
108.08117	1.2
109.06506	0.5
110.09723	0.5
111.04424	1.2
111.08095	0.6
119.04956	0.8
119.08625	1.4
120.08102	3.1
121.06538	0.8
121.08898	0.7
122.09686	1.2
123.04436	0.8
124.11258	1.6
126.09209	0.5
126.12771	0.6
127.03970	0.7
128.10712	0.7
132.08098	0.5
133.06578	0.8
133.10176	0.7
134.09683	1.3
135.04459	0.7
136.11270	2.3
137.02373	1.9
137.06003	1.3
137.09610	0.7
138.12804	4.4
140.07025	0.6
140.14433	0.8
145.05019	0.7
145.06442	0.6
145.10118	0.9
147.04434	0.8
147.08081	0.8
148.07594	0.9
149.06039	0.6
150.09201	0.7
150.12817	0.6
152.10727	5.1
154.12337	1.2
155.03487	0.6
158.09779	0.5
159.08066	0.6
160.11176	0.8
161.06046	1.7
161.09676	2.0
162.12778	3.4
163.03909	2.3
163.07561	1.3
163.11278	0.5
164.07088	1.1
164.14369	0.7
165.05550	0.8
167.07121	0.7
170.11804	2.5
172.11290	0.6
173.06046	0.7
174.12744	0.7
175.04031	0.7
175.07600	1.3
176.14421	2.1
182.11858	0.6
188.14624	0.5
189.09142	1.6
190.12352	1.0
191.06964	0.6
192.07802	0.7
195.08055	0.6
202.15866	0.7
204.13875	3.1
205.08519	0.7
205.14766	0.7
207.06552	1.1
207.10219	1.6
208.13374	4.7
211.07518	0.6
213.09277	0.8
216.17589	0.9
220.13399	1.3
225.09129	1.0
228.17538	1.0
232.16988	0.6
242.15561	0.6
249.07579	9.7
250.18219	0.5
256.17081	2.1
258.18591	1.0
274.18094	2.1
275.12827	1.6
276.19684	1.3
277.08710	0.5
278.17609	0.6
282.12582	1.1
284.16602	2.2
302.17514	4.6
320.18604	9.7
347.83347	0.6
371.11411	1.4
388.21182	10.3
388.25833	0.7
432.24158	0.6
448.23315	7.1
476.22729	0.9
478.24319	0.5
494.23892	2.2
568.25464	7.3
583.48834	0.7
634.23090	0.7
696.30115	5.8
697.29742	0.6
710.24805	0.6
724.29279	0.8
737.87451	0.5
742.30688	100.0
743.31024	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	742.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
55.05509	9.4
57.03428	2.9
57.07072	1.7
59.04990	0.8
65.03939	1.9
67.05504	14.9
69.03432	15.8
69.07069	7.5
69.13998	4.5
70.06597	0.9
71.01331	1.1
71.04984	4.1
73.02905	0.9
77.03923	0.9
79.05491	16.9
81.03414	13.9
81.07053	17.4
83.04980	6.9
83.08630	7.7
85.02895	3.8
85.06544	2.7
87.04466	1.5
91.05473	15.4
93.07045	12.7
95.04967	15.5
95.08610	7.3
97.02879	3.3
97.06532	8.5
97.10153	1.9
98.22620	1.4
99.04456	7.3
103.05471	3.4
105.07028	77.1
106.07370	1.3
107.04949	5.8
107.08588	17.2
109.02881	2.1
109.06519	11.4
109.10157	31.1
111.04444	1.3
111.08099	3.2
113.06015	2.0
115.05444	2.1
117.07022	10.8
119.04939	1.9
119.05997	0.9
119.08575	15.0
121.06514	13.4
121.10149	12.5
123.08101	3.0
123.11710	5.2
125.05991	4.6
125.09630	3.3
127.03914	2.3
128.06218	1.5
129.07010	5.1
130.07806	4.5
131.04977	1.0
131.08562	19.9
132.08891	1.0
133.06491	19.4
133.10129	32.7
134.10489	0.8
135.04391	1.4
135.08063	6.9
135.11699	3.6
136.08449	0.8
136.11194	1.2
137.05959	1.1
137.09641	1.5
137.13260	0.9
139.07555	1.0
141.06992	2.0
142.07765	1.7
143.07039	2.4
143.08574	8.1
144.09329	5.3
145.06485	9.2
145.10121	100.0
146.07323	0.7
146.10501	2.2
146.53024	0.7
147.08051	3.2
147.11696	4.8
149.05983	1.4
149.09656	1.2
149.13257	6.8
151.07549	1.4
151.11165	6.5
153.07040	0.7
153.09100	4.1
154.07777	3.4
155.08566	6.0
157.06488	0.9
157.10121	4.5
158.07280	11.5
158.10869	2.7
159.08057	9.3
159.11684	35.3
160.12105	1.0
161.09627	8.2
161.13203	1.0
162.12755	0.7
163.07500	0.9
163.11218	4.3
163.14803	1.5
165.12759	3.4
167.14319	5.3
169.10120	7.9
171.08066	1.9
171.11732	1.4
172.08833	4.5
173.09619	54.4
173.13228	15.4
174.09995	2.0
175.11165	1.9
175.14801	6.1
179.08574	2.0
182.07242	1.5
185.09587	1.0
187.11174	40.2
188.11540	1.6
189.09148	0.8
189.12727	3.3
191.10612	3.2
191.14308	14.3
193.12328	3.3
193.13774	0.7
194.11909	0.8
197.09610	8.1
205.12239	85.1
206.12555	2.0
209.11664	1.1
209.15367	30.7
215.10670	92.7
216.10942	3.5
220.06610	0.7
224.37836	0.6
227.12894	0.9
229.14383	2.4
233.11723	55.7
234.12004	2.4
251.12866	3.8
259.09616	0.9
267.15918	5.8
283.15393	2.8
285.16971	1.8
295.13107	0.7
301.16479	0.8
309.10358	0.7
309.13345	3.8
319.11789	5.3
337.12787	21.6
338.13162	0.9
341.13763	1.1
355.13800	10.5
359.14871	0.8
377.16193	1.0
385.23477	1.9
400.94693	0.7
424.46927	0.7
459.27374	11.4
475.26843	2.0
476.27036	1.1
477.28262	10.2
481.17096	4.0
495.28568	1.1
499.18152	11.7
500.18506	0.9
509.27533	0.8
515.25061	1.5
527.29645	0.9
618.93835	0.9
637.86261	0.8
742.36243	3.6
743.33344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01866	2.4
55.05514	7.0
57.03432	2.2
57.07062	1.4
63.02357	0.7
65.03922	1.1
67.05502	13.4
69.03429	15.9
69.07063	5.3
70.06592	0.9
71.04992	4.0
71.23724	0.7
77.03922	1.5
79.05497	13.5
81.03426	12.2
81.07055	15.5
83.04980	6.0
83.08622	4.6
85.02903	3.6
85.06554	3.2
87.04455	2.0
91.05473	14.2
93.07047	11.0
95.04968	11.5
95.08593	5.2
96.05325	0.8
97.02869	1.7
97.06540	6.2
97.10161	2.1
98.22722	2.2
99.04461	7.0
103.05463	2.7
105.07030	66.7
106.07337	1.7
107.04954	4.6
107.08598	14.4
108.08866	0.7
109.02894	2.1
109.06522	8.0
109.10161	25.9
111.04478	1.6
111.08061	1.9
113.05994	2.3
115.05409	1.5
117.07018	9.3
119.04929	2.2
119.08582	12.9
121.06526	7.5
121.09415	0.7
121.10155	8.4
123.08071	2.9
123.11707	3.7
125.05993	3.5
125.09618	3.0
127.03917	1.1
128.06248	1.0
129.07027	3.6
130.07788	3.6
131.08563	15.4
133.06496	12.7
133.10129	27.8
134.06854	0.8
135.08038	4.5
135.11639	1.6
136.11166	0.8
137.05997	1.3
137.09610	1.4
137.13208	0.8
141.06985	1.9
142.07739	0.9
143.07008	2.5
143.08553	6.9
144.09346	5.2
145.06480	4.6
145.10123	93.7
146.10484	2.2
147.08049	2.2
147.11688	3.4
149.05939	1.4
149.09660	0.9
149.13258	4.5
151.11171	6.0
153.09103	3.2
154.07741	2.0
155.08603	3.7
156.09285	1.2
157.10118	3.8
158.07278	6.5
158.10905	2.2
159.08078	6.1
159.11699	36.2
161.09573	8.6
163.07561	2.1
163.11140	3.5
163.14816	1.3
165.12770	2.5
167.14273	3.7
169.10117	6.9
169.48059	0.7
171.08020	1.5
171.11702	1.3
172.08820	2.0
173.09624	43.6
173.13223	14.2
174.10042	1.3
175.11171	0.8
175.14822	5.7
177.12776	1.5
182.07318	0.8
187.11177	32.7
189.08910	1.0
189.12755	5.4
190.97198	0.7
191.10693	2.6
191.14307	13.5
193.12268	2.0
197.09546	5.7
204.13983	0.9
205.12245	100.0
206.12552	2.2
206.87715	0.7
209.15373	28.8
210.15765	0.8
211.13364	1.3
215.10674	84.9
216.11026	3.3
229.14401	2.1
233.11723	47.7
234.12064	1.4
251.12811	4.6
267.15958	5.5
278.17590	0.7
283.15305	2.0
285.16959	1.9
309.13223	4.0
313.14398	1.2
319.11719	6.9
337.12790	20.9
355.13904	4.4
359.15091	1.0
377.15887	1.0
459.27402	11.1
476.27103	1.1
477.28220	8.9
481.16815	5.6
495.28705	0.8
499.18198	11.6
515.24976	1.1
742.38776	5.4
743.33087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03184	1.1
53.03942	3.2
55.01867	7.3
55.05515	14.2
56.24189	0.9
57.03441	4.7
57.07068	2.5
59.05015	1.3
64.93896	0.8
65.03940	2.0
67.05167	1.0
67.05509	19.7
69.03435	10.5
69.07069	11.8
71.05003	5.5
71.40740	1.0
75.72850	0.9
77.03944	1.9
79.05496	27.7
81.02957	1.8
81.03418	24.9
81.07059	26.2
83.04993	12.0
83.08613	10.4
85.02908	5.1
85.06561	4.9
87.04456	2.9
91.05475	23.0
93.07049	23.3
94.07375	1.4
94.51643	0.9
95.04971	24.1
95.08604	14.2
97.02881	3.6
97.06535	14.5
97.10159	4.2
99.04469	7.9
99.60558	0.9
103.05466	4.0
105.04535	1.7
105.07032	61.0
107.04972	10.3
107.08598	26.0
107.09337	1.3
109.02880	2.8
109.06517	17.0
109.10155	44.1
111.04450	2.7
111.08083	4.8
113.05978	1.1
115.05453	3.2
115.07487	1.2
117.07014	9.9
119.04939	2.6
119.08581	20.6
121.06501	37.7
121.10149	19.2
123.08073	6.1
123.11713	8.6
125.05976	7.6
125.09606	6.4
126.84430	0.9
127.03954	1.8
128.06200	1.6
129.05530	0.9
129.06992	7.9
130.07762	3.7
131.04907	1.2
131.08574	22.3
131.09464	1.9
133.06493	22.0
133.10132	46.7
135.04407	2.1
135.08060	8.4
135.11655	3.0
137.06020	1.6
137.09625	3.4
137.13237	1.9
139.13344	1.0
141.07018	3.6
142.07710	1.6
142.27077	0.9
143.07018	7.3
143.08568	9.6
144.09357	2.4
145.05020	0.8
145.05397	1.3
145.06480	10.1
145.10124	56.9
146.10484	1.3
147.08041	4.0
147.11697	9.8
149.09596	4.3
149.13240	9.8
151.07542	2.1
151.11169	13.3
153.09116	6.0
154.07774	3.1
155.08543	8.0
157.10156	4.8
158.07257	14.8
158.10890	3.8
159.08083	13.2
159.11687	21.5
161.05956	1.5
161.09608	4.7
163.11191	4.1
163.14845	1.7
165.12750	4.1
167.14311	7.1
169.10144	9.7
171.08102	2.7
171.11674	3.0
172.08800	5.9
173.09624	100.0
173.13220	26.0
174.09988	1.5
175.07591	1.1
175.11168	4.1
175.14835	17.7
177.12590	1.0
179.08566	5.5
181.15971	1.4
182.07259	1.2
185.09669	1.4
187.11188	48.3
188.11398	0.9
189.12701	1.8
191.10709	4.6
191.14314	26.0
193.12236	6.6
193.15874	2.7
197.09604	13.9
205.12253	25.0
206.12614	1.1
209.15363	55.1
210.15710	2.1
211.11211	1.2
211.13176	1.3
215.10675	95.4
216.11082	2.9
219.13852	1.8
227.12721	2.4
229.14328	2.7
233.11725	91.3
234.12082	2.5
251.12810	6.0
259.09674	1.1
260.16455	1.1
267.15967	14.5
277.10916	1.1
283.15390	4.4
285.16971	4.4
290.54645	1.1
301.16428	1.5
310.52438	1.1
319.11768	5.4
337.12817	24.8
341.13846	1.8
355.13916	6.4
359.14969	1.8
367.22949	2.0
377.15921	3.0
385.23837	3.5
388.21115	2.1
405.81018	1.1
437.25143	1.7
441.26224	1.6
454.27994	1.0
459.27411	40.6
460.28177	1.5
477.28406	27.5
481.17007	10.2
495.29105	2.6
499.18073	23.4
509.27347	1.5
527.28400	1.3
585.30896	1.3
693.30518	1.5
697.53552	1.2
728.84985	0.9
735.13489	1.2
742.40057	1.3
743.33691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
53.18263	0.5
55.01862	6.4
55.05508	13.2
57.03433	5.3
57.07060	2.7
57.96362	0.7
59.04994	1.4
65.03941	2.4
67.05502	23.3
69.03426	13.1
69.06706	1.0
69.07066	12.8
69.15105	3.7
71.04988	5.5
73.02911	0.9
77.03922	1.6
79.05486	27.1
81.03411	24.5
81.06564	0.7
81.07052	26.2
83.04971	14.0
83.08610	10.7
85.02880	4.7
85.06540	5.7
87.04462	3.5
91.05473	24.7
93.07038	26.2
95.04963	23.2
95.08597	13.4
96.05350	0.6
97.02888	3.1
97.06525	14.6
97.10151	4.6
99.04455	7.0
99.08064	1.5
101.05981	0.6
102.47742	0.6
103.05457	3.1
105.04492	2.2
105.07023	68.6
106.07355	1.7
107.04950	12.1
107.07843	1.0
107.08583	26.2
109.02877	3.2
109.06509	16.9
109.10150	47.8
110.10471	1.0
111.04446	2.2
111.08060	4.1
113.06011	2.0
115.05441	3.4
115.58524	0.6
117.07011	12.2
119.04935	2.6
119.08578	25.0
121.02846	1.1
121.06499	38.4
121.10139	18.8
122.10397	0.9
123.04406	0.9
123.08062	6.4
123.11687	8.2
125.05983	9.9
125.09608	5.7
127.03901	2.2
128.06168	3.3
129.06985	9.2
130.07788	4.8
131.04837	1.2
131.08562	24.1
133.06487	27.8
133.10121	40.9
134.10489	0.9
135.04420	2.5
135.08041	9.5
135.11668	4.4
136.11189	1.2
137.05966	1.7
137.09596	2.4
137.13231	1.7
139.07545	1.2
139.11157	1.1
141.07001	3.7
142.07735	1.8
143.07031	8.4
143.08546	9.7
144.05760	1.1
144.09309	3.5
145.06470	13.3
145.10114	60.9
146.07251	1.4
146.10422	1.9
147.04524	0.8
147.08028	3.9
147.11667	9.1
149.09627	5.0
149.13245	9.4
151.07538	1.8
151.11180	11.1
153.07018	1.8
153.09068	6.6
154.07756	3.5
155.08553	9.6
156.09317	0.9
157.06522	1.0
157.10133	5.9
158.07257	16.7
158.10907	4.6
159.08049	16.1
159.11679	22.9
161.06018	1.2
161.09596	4.0
161.13214	0.6
163.07487	0.9
163.11180	4.4
163.14827	3.1
165.12741	7.6
167.08591	1.2
167.14313	6.2
169.10104	9.9
171.08049	2.6
171.11717	2.2
172.08847	6.3
173.09608	100.0
173.13222	26.4
174.09952	3.1
175.07494	0.8
175.11183	2.4
175.14807	20.1
178.07782	0.7
179.08534	4.7
181.06477	1.0
182.07245	3.4
185.09599	1.0
187.11165	47.1
189.09114	0.9
189.12706	2.2
191.10707	3.2
191.12517	1.4
191.14296	28.0
193.12225	5.9
193.15880	2.2
197.07864	1.4
197.09599	17.7
199.11284	0.9
201.12737	0.9
205.08640	0.8
205.12221	22.3
207.13815	0.9
209.11760	2.4
209.15349	59.9
210.15784	1.0
211.11253	0.8
211.13229	2.2
213.09006	0.8
215.10655	90.8
216.10983	2.9
219.13802	1.7
223.13179	0.9
227.09082	1.2
227.12706	2.4
229.14314	2.9
233.11707	91.8
234.12019	3.2
245.11603	0.7
251.12753	5.8
257.11707	1.8
259.13058	0.8
259.15424	1.0
265.14221	0.9
267.15915	14.0
271.13168	0.7
273.14624	0.8
275.12726	1.2
283.15353	6.0
285.16837	3.5
301.16379	2.4
302.17279	0.8
309.13168	0.9
319.11810	3.5
337.12772	23.9
338.13107	1.0
339.23349	0.8
355.13849	9.2
359.14944	2.1
367.22620	2.4
377.15942	1.9
385.23746	5.1
388.20868	1.7
389.21918	1.5
403.24838	1.3
437.25003	2.3
441.25943	1.8
459.27338	33.8
460.27621	1.7
463.15994	0.8
476.33246	0.8
477.28400	24.3
481.16922	8.5
491.30542	0.9
495.29117	2.0
499.18103	21.1
500.18295	1.0
509.27365	2.4
513.29950	0.8
519.29199	0.9
554.74475	0.8
621.32379	0.9
693.30273	2.0
742.40546	1.2
743.31927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01874	4.7
55.05513	15.1
57.03438	10.0
57.60623	0.8
59.04981	1.1
65.03936	0.9
66.75632	0.7
67.05505	19.2
67.72349	0.7
69.03429	4.4
69.07063	5.5
69.37137	4.0
71.04998	3.7
73.02895	0.9
76.60206	0.7
76.70098	0.9
79.05495	24.7
81.03419	48.7
81.07056	19.6
83.04981	5.5
83.08624	16.6
83.09112	1.6
85.02924	1.2
85.06569	0.8
88.06813	0.8
91.05482	16.4
93.07044	19.3
93.29279	0.7
94.56490	0.8
95.04966	19.5
95.08607	9.9
96.50063	0.7
97.02870	2.1
97.06532	3.8
97.10165	14.4
98.23498	0.9
99.04461	1.2
103.05485	0.9
105.04514	0.9
105.07029	11.4
107.04955	15.2
107.08590	11.7
109.06517	15.3
109.10165	5.8
111.04455	1.4
111.08087	4.4
111.40225	0.7
115.05460	0.9
117.07017	5.1
119.04954	1.2
119.08585	11.5
121.06506	11.5
121.10130	9.9
123.04421	1.3
123.08057	4.1
123.11710	0.9
125.09632	12.5
129.06987	8.1
131.04947	2.4
131.08583	12.4
133.06509	4.2
133.10130	4.3
135.08063	7.8
135.11664	1.7
137.09660	2.0
139.11200	2.5
141.07010	1.6
142.07793	1.2
143.08575	2.4
145.06490	5.9
145.10120	5.9
147.08037	4.1
147.11664	6.2
149.09628	5.9
153.09119	3.0
155.08585	3.2
157.06453	1.5
157.10115	6.3
159.08070	2.1
159.11684	1.7
161.05838	0.8
161.09590	2.0
163.11195	3.5
165.12859	1.0
167.08551	1.1
167.10696	1.3
169.10138	1.7
170.19205	0.8
171.08012	1.7
171.10239	1.4
171.11667	2.2
173.09624	1.3
173.13277	2.4
175.11171	6.0
177.12798	1.0
183.11664	0.9
185.09660	1.3
185.11703	0.9
187.11243	1.1
189.11189	6.2
189.12625	0.9
191.10678	1.0
191.14355	4.0
193.12238	13.2
197.13235	1.4
199.11151	1.6
201.12752	1.6
205.12248	1.2
211.11320	1.0
211.13242	1.2
213.12790	1.4
217.12132	0.9
219.13834	8.5
223.13171	1.7
227.12680	1.7
231.13913	1.4
233.15384	3.9
237.12775	1.5
237.14929	1.3
243.13802	1.1
255.13744	1.7
259.15445	7.1
267.15906	37.5
268.16193	1.7
271.16953	1.0
273.14767	6.7
293.17484	6.6
309.17093	0.8
321.21820	0.8
339.23172	2.3
349.21643	4.1
357.24203	2.5
367.22720	13.4
385.23691	20.1
386.24124	1.1
403.24744	7.1
433.25452	1.7
441.26401	8.5
451.27008	5.2
459.20612	1.9
459.27411	96.3
460.27829	6.6
477.28482	100.0
478.28900	6.0
491.30078	8.4
495.29462	10.4
496.29068	1.1
501.27994	2.3
509.31207	5.0
567.29565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01867	1.6
55.05512	13.1
57.03442	8.5
59.05038	0.7
61.02932	2.1
65.03939	1.1
67.05506	28.2
69.03439	3.3
69.07074	7.4
70.72025	0.8
71.04980	3.1
73.02912	1.0
73.11127	0.5
76.68231	0.7
79.05496	23.6
81.03421	38.2
81.07058	29.3
82.07394	0.9
83.04980	9.0
83.08133	0.9
83.08626	15.7
83.09100	1.2
85.02912	13.1
85.06538	1.6
87.04442	0.7
91.05484	19.7
93.07047	23.2
95.04967	14.5
95.08611	19.9
97.02859	3.0
97.06536	3.0
97.10170	2.9
99.08095	0.9
101.81741	0.6
105.04535	0.9
105.07033	13.6
107.04968	2.4
107.08592	11.3
109.06516	3.2
109.10161	8.3
109.10873	0.6
111.04493	1.1
111.08095	6.2
113.06006	1.0
117.07026	2.3
119.08585	11.2
121.06573	0.8
121.10152	12.2
123.08062	2.2
123.11668	3.0
125.09606	1.1
129.07031	5.2
131.08566	7.0
133.06512	2.5
133.10143	8.6
135.08105	0.7
135.11688	5.5
137.09673	1.4
141.54745	0.6
142.07843	1.2
145.10150	3.0
147.08049	1.8
147.11690	9.3
149.09634	4.0
149.13293	1.9
151.11180	0.9
156.49019	0.6
157.10132	7.1
159.11708	1.9
161.13254	1.4
163.11176	1.1
164.11552	0.7
165.12778	2.2
173.13283	1.0
175.11188	9.1
176.75993	0.6
182.89030	0.6
187.14818	1.1
193.12238	26.3
194.12677	0.8
201.16568	0.7
211.13292	42.4
212.13602	0.9
227.12834	1.1
243.21071	1.8
259.20450	0.6
261.22101	4.6
267.15915	9.0
283.15533	1.6
285.16971	42.2
286.17233	1.3
301.25159	0.8
317.24905	0.8
335.25803	44.0
336.26218	2.5
435.32428	1.1
453.33664	1.8
458.79111	0.6
469.65021	0.6
509.35910	0.9
527.37256	7.7
528.37756	1.0
545.38373	100.0
546.38733	7.2
563.39069	0.9
580.42249	0.7
743.45435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01888	1.9
55.05512	16.8
56.16182	0.7
56.92163	0.6
57.03439	13.4
57.07077	1.7
59.04991	0.9
61.02925	3.5
65.03942	2.2
67.05507	45.8
67.89192	0.7
68.36287	0.8
69.03427	4.3
69.07068	13.1
69.56216	0.6
69.66375	2.7
71.05001	3.3
72.77663	0.8
73.02921	1.6
75.22345	0.7
76.05251	0.7
76.23535	0.7
77.03958	1.0
79.05494	35.2
80.05877	0.9
81.03420	38.5
81.07059	45.0
83.04989	9.7
83.08620	15.8
84.05315	0.6
85.02909	16.7
85.06548	1.7
91.03960	1.3
91.05482	29.9
93.07048	35.4
95.04966	17.6
95.05519	1.1
95.08607	28.0
97.02885	2.8
97.06541	3.3
97.10191	2.6
98.23488	0.9
99.08109	1.2
99.23055	0.7
99.27092	0.7
105.04520	1.6
105.07037	21.5
107.04968	4.6
107.08597	17.5
109.06518	4.5
109.10149	11.2
111.04450	2.0
111.08075	6.8
113.06007	1.8
117.07047	4.3
119.08580	17.1
121.06530	1.5
121.10146	14.7
121.10986	1.0
123.08089	2.5
123.11695	5.3
125.09595	1.5
129.07010	7.3
131.08578	13.2
133.06528	1.1
133.10138	11.5
135.08092	0.7
135.11707	6.6
137.09610	2.0
137.13246	1.1
142.07794	2.8
145.10106	5.3
147.08083	2.3
147.11670	12.4
149.09656	3.9
149.13261	3.2
155.08585	0.7
157.10130	8.8
159.11699	2.7
161.13287	2.0
163.11212	1.3
163.14882	1.2
165.12790	2.3
171.11771	0.7
173.13290	3.2
175.11191	8.4
175.14874	1.3
177.12949	1.1
187.14822	1.3
189.16333	1.0
193.12238	26.0
194.12495	0.9
211.13292	42.1
212.13786	0.8
227.12892	0.8
243.21169	2.5
261.22198	9.0
267.15872	12.5
285.16965	48.9
286.17392	1.8
304.98013	0.8
317.24728	2.3
335.25809	84.4
336.26276	4.2
391.37064	0.8
435.32230	1.8
453.33859	2.0
471.34793	0.9
527.37341	12.3
528.37720	1.0
535.27765	0.8
545.38385	100.0
546.38812	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01875	3.4
55.05256	1.5
55.05511	22.9
57.03178	1.8
57.03438	20.0
57.07074	1.8
61.02916	3.1
65.03935	2.7
67.05503	55.2
67.79375	0.9
69.03425	5.5
69.07066	14.6
71.04995	5.7
73.02904	1.7
77.03963	1.5
79.05492	44.5
81.03416	56.4
81.07057	59.5
82.07410	1.4
83.04977	14.5
83.08624	22.8
85.02906	22.9
85.06544	2.2
91.05482	44.0
93.06446	2.0
93.07044	41.4
94.07386	1.0
95.04971	23.1
95.05532	0.8
95.08602	35.2
97.02921	4.7
97.06528	4.4
97.10170	5.0
98.22680	1.8
99.08107	2.3
103.05491	1.1
105.04533	1.7
105.07030	24.2
107.04951	6.7
107.08598	22.3
109.06512	5.4
109.10158	11.8
111.04429	2.2
111.08089	7.6
113.06026	2.9
113.94724	0.9
115.05456	1.9
117.06990	5.6
119.08580	26.1
121.06523	2.0
121.10151	18.9
123.08068	4.1
123.11681	4.9
125.09644	1.6
128.06177	1.3
129.07008	10.0
131.08562	15.6
133.06500	2.2
133.10138	14.8
135.11710	8.4
137.09679	1.9
137.13255	1.1
142.07788	2.7
145.10091	5.6
147.08115	3.2
147.11687	17.1
149.09615	5.7
149.13274	3.7
157.10121	12.0
159.11731	2.9
161.13237	1.8
163.14856	1.8
165.12740	1.7
173.13260	2.9
175.11174	12.6
175.14726	1.3
187.14876	1.2
188.52562	0.9
193.12245	37.8
194.12613	1.1
211.13286	69.4
212.13676	1.4
227.12813	1.3
229.10121	1.1
243.21098	2.9
261.22137	10.6
267.15891	15.5
285.16968	81.8
286.17557	1.2
317.24832	3.1
335.25790	72.8
336.26041	3.7
435.32382	1.6
453.33548	2.2
471.34778	1.3
499.26819	1.1
527.37177	10.2
528.37708	1.2
545.38373	100.0
546.38544	7.4
548.04913	1.3
565.12579	1.2
727.08929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77719	0.4
61.02940	0.5
66.97091	0.4
67.05506	0.8
68.49039	0.4
71.18382	0.5
72.68148	0.3
85.02921	0.5
85.58813	0.3
93.07034	0.4
97.03793	0.4
112.99180	0.5
139.19431	0.4
153.38570	0.4
193.15047	0.4
267.09109	0.7
269.07071	0.4
283.08572	0.6
285.10181	0.6
300.47055	0.3
300.62064	0.4
483.16211	0.7
485.17435	0.6
493.15717	0.4
517.20697	0.7
586.88654	0.5
639.29816	0.9
743.32471	100.0
744.32758	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	743.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
60.04318	0.2
61.33203	0.2
69.03431	2.6
70.06589	0.7
71.05008	0.3
71.45184	0.2
79.05489	0.4
81.07070	0.3
91.05444	0.2
93.07040	0.2
94.06578	0.2
95.08607	0.4
96.08116	0.4
103.29860	0.2
106.06512	0.2
107.08659	0.2
110.09637	0.3
111.08077	13.6
112.08399	0.2
122.09683	0.6
140.10602	0.2
150.09155	0.8
151.07578	0.5
152.10667	0.3
154.81648	0.2
160.11200	0.3
168.10222	0.4
170.11713	0.4
180.13849	0.4
206.15408	2.4
208.13345	0.9
216.13919	0.2
218.11710	0.6
234.14876	11.7
236.12801	4.4
250.14351	0.3
262.17950	0.3
280.19064	2.3
295.19965	0.2
308.18546	100.0
309.18896	2.9
417.19861	0.2
418.18619	3.1
436.19662	11.1
509.43137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
67.05513	0.2
69.03075	0.2
69.03434	2.9
69.10783	0.3
69.11182	0.6
70.06607	0.8
71.05002	0.4
73.06071	0.1
73.55618	0.1
79.05493	0.2
80.05019	0.2
81.07071	0.3
83.68272	0.2
86.69257	0.1
93.07043	0.3
93.21760	0.1
94.06570	0.4
95.04979	0.2
95.08602	0.4
95.34520	0.1
97.83939	0.1
98.23422	0.3
105.07028	0.2
106.06544	0.2
107.08580	0.2
110.09699	0.3
111.08085	13.9
117.07092	0.2
122.09676	0.5
123.08079	0.2
125.06007	0.2
131.38368	0.1
134.06030	0.2
134.09673	0.2
137.00580	0.2
140.10666	0.3
147.04436	0.1
150.09137	0.9
151.07582	0.8
152.10707	0.2
153.01817	0.2
161.09639	0.2
168.10213	0.4
170.11775	0.5
179.10716	0.3
180.13855	0.2
182.11775	0.1
203.60620	0.2
206.15439	2.2
208.13319	1.0
218.11763	0.5
234.14890	12.1
235.15218	0.4
236.12813	4.9
236.15195	0.3
250.14365	0.3
262.18082	0.3
270.19470	0.2
277.10999	0.2
280.16125	0.3
280.19073	1.9
290.17542	0.2
306.17007	0.6
307.17322	0.6
308.18558	100.0
309.15631	0.2
309.18958	3.0
351.94608	0.2
418.18604	3.0
436.19662	10.3
437.19977	0.5
489.65985	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	743.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01871	0.5
55.05518	1.3
57.03438	2.2
61.02925	4.0
67.05504	3.3
68.82036	0.4
69.03432	2.9
69.07083	1.1
69.19804	1.7
69.20206	1.0
71.01345	0.4
71.04990	2.1
72.41492	0.5
73.02914	3.0
75.04477	0.4
75.14375	0.3
79.05491	2.8
81.03421	6.1
81.07063	3.5
82.03769	0.4
83.04999	1.0
83.08634	2.0
85.02903	5.8
85.06538	0.6
89.25948	0.4
91.03939	1.9
91.05471	4.3
93.07053	2.0
95.04969	2.6
95.08639	1.6
97.02885	3.8
97.06590	1.2
99.04477	1.1
101.02414	1.5
105.07029	3.7
107.04958	0.8
107.08652	1.0
108.72465	0.5
109.02918	0.8
109.06530	0.7
109.10194	0.7
111.08129	0.5
117.07079	0.6
119.08589	2.7
119.74779	0.4
121.06544	0.5
121.10164	1.1
123.08161	0.6
125.09715	0.4
127.03961	1.6
129.07047	1.0
131.08598	1.3
133.10161	1.4
135.08098	0.4
145.10179	0.6
147.11685	2.8
149.09645	0.5
157.10112	2.0
165.12810	1.1
175.11288	1.4
185.04295	0.4
186.54514	0.4
193.12202	2.9
195.14140	0.4
205.08640	0.4
211.13376	1.2
229.14586	0.4
243.08415	2.2
265.14212	1.9
267.16034	0.9
285.17154	0.6
460.28125	1.6
469.20428	7.6
477.28262	0.4
478.28662	2.1
483.22250	1.1
515.24573	5.6
743.38342	100.0
744.38568	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	743.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19193	0.6
55.05510	1.9
57.03431	2.0
60.98612	0.7
61.02931	5.3
67.05511	6.1
69.03429	2.8
69.07059	1.3
71.01374	0.8
71.04979	0.8
73.02926	3.6
74.27911	0.6
79.05486	5.3
81.03438	3.3
81.07057	6.1
83.04972	0.9
85.02898	5.1
91.03966	3.6
91.05473	3.6
93.07056	5.0
95.04977	1.6
95.08597	3.6
97.02884	5.3
98.22713	1.8
99.04498	0.9
101.02402	1.9
101.24227	0.6
105.07052	2.3
107.08586	1.3
109.10155	1.5
117.06997	1.0
119.08519	1.3
121.10147	2.3
123.08182	0.8
127.03904	1.3
131.08606	0.9
133.10152	1.4
134.25626	0.7
135.11685	1.5
145.10165	1.2
171.11690	1.0
187.91690	0.8
192.92079	0.7
243.08495	1.8
247.13040	1.4
283.15527	0.9
423.50607	0.7
465.20825	4.0
519.29211	6.0
536.02142	0.7
605.07336	0.8
743.43408	100.0
744.43512	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	743.455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
53.04990	0.3
55.01878	0.4
55.05502	1.3
57.03436	1.6
57.07080	2.7
61.02934	3.7
67.05505	3.3
69.03429	2.5
69.07069	2.2
69.27177	1.4
71.01357	0.3
71.05000	0.9
71.08630	2.0
73.02921	2.6
79.05502	2.8
79.93175	0.3
81.03422	4.5
81.07059	4.6
83.04992	0.9
83.08622	1.7
85.02911	4.6
85.06567	0.3
85.10197	1.5
91.03952	3.4
91.05488	2.1
93.07055	2.8
95.04974	1.3
95.08611	3.5
97.02891	3.8
97.06535	0.4
97.10191	1.2
99.04485	0.9
101.02399	1.8
103.03945	0.3
105.07024	1.3
107.04973	0.4
107.08600	1.3
109.02901	0.8
109.06585	0.3
109.10156	1.7
111.08121	0.8
115.03948	0.4
117.07076	0.3
119.08566	1.4
121.10160	2.2
123.11720	0.5
127.03932	1.0
129.05519	0.3
129.07031	0.5
131.08592	1.3
133.10153	1.2
139.11172	0.6
145.04942	0.5
145.10141	0.3
147.11728	1.0
149.09618	1.3
157.10172	1.0
157.22998	0.3
175.11266	1.0
185.04309	0.8
193.12260	2.5
203.05270	0.4
211.13286	2.0
217.12334	0.3
227.49210	0.3
239.23782	0.5
241.06929	0.3
243.08444	2.6
251.12657	0.5
267.16022	1.2
269.13672	1.8
285.16925	2.7
313.27377	1.3
315.10593	0.4
325.16241	0.4
335.25577	0.4
336.26138	0.3
337.27206	2.1
371.17044	0.4
409.63477	0.3
425.17917	0.6
443.18881	5.8
469.20544	3.7
487.21539	6.5
497.30869	7.8
529.39264	0.6
545.38470	0.3
546.38446	0.6
547.39923	3.6
569.33185	0.7
699.43048	2.4
725.44373	2.8
743.45520	100.0
744.45850	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	743.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01873	0.5
55.05510	0.5
57.03439	1.6
57.07067	1.9
61.02931	3.3
61.37003	0.3
67.05500	2.2
69.03446	1.8
69.07073	1.2
69.23707	1.7
70.47581	0.3
71.01365	0.5
71.04989	0.3
71.08637	1.4
73.02924	2.7
79.05505	1.3
81.03413	2.3
81.07056	2.7
83.04987	0.4
83.08635	1.2
85.02903	3.4
85.10182	0.9
90.85715	0.3
91.03960	2.3
91.05485	1.2
93.07050	1.4
93.73879	0.3
95.04993	0.5
95.08602	1.8
97.02886	2.8
97.10185	0.6
98.23512	0.4
99.04456	0.7
100.48205	0.3
101.02388	1.0
103.03966	0.3
105.07039	0.9
107.08617	0.5
109.02894	0.7
109.10172	1.1
111.08102	0.4
119.08620	0.9
121.10160	1.5
127.03935	1.1
129.07033	0.3
131.08598	0.7
133.10136	0.8
136.74800	0.3
139.11194	0.5
145.05003	0.4
145.66927	0.3
147.11691	0.7
149.09659	0.8
175.11189	0.4
182.24219	0.3
185.04237	1.0
193.12297	1.1
211.13333	0.7
225.11249	0.3
241.14426	0.3
243.08417	2.0
267.15976	0.7
269.13525	2.0
285.17093	0.7
286.17490	0.4
301.09018	0.3
313.27524	0.9
314.11588	0.3
335.25854	0.5
337.27280	0.4
375.78772	0.3
401.18192	0.3
425.18176	0.4
429.08231	0.4
443.18863	4.1
469.20621	3.3
487.21494	5.8
497.30746	6.3
498.31143	0.3
547.40045	0.6
569.32794	0.6
583.34308	0.4
681.42065	0.4
699.43048	1.3
725.44281	2.7
743.45496	100.0
744.45831	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
65.03947	0.7
68.42654	0.5
69.03420	2.2
70.61731	0.5
70.62079	0.9
71.04980	0.6
81.03419	4.5
84.08157	0.6
85.02905	1.5
89.03945	1.0
91.05486	14.7
95.04974	0.8
95.08585	1.2
99.04433	0.8
103.05478	0.7
109.02876	1.6
117.03343	1.5
119.04945	24.3
121.10158	0.5
122.09721	0.8
127.03905	1.2
132.02077	1.2
133.02852	0.6
136.05270	0.7
136.11211	2.0
137.05988	2.4
145.02869	4.2
147.04414	21.8
149.06010	0.7
151.07530	0.7
157.04013	3.2
175.03915	42.6
176.04272	0.7
177.05443	4.3
179.07043	2.1
182.11763	1.5
189.09099	0.6
190.62570	0.5
207.06528	100.0
208.06874	2.3
236.16476	1.0
260.16483	0.6
262.18057	1.3
318.16684	0.6
351.10803	5.6
369.11829	7.6
376.24786	2.6
389.54599	0.6
394.25851	1.6
486.72626	0.6
494.98126	0.5
538.29968	0.6
568.31494	0.6
709.34961	0.6
726.38208	0.8
743.38202	0.8
744.38763	12.2
745.23822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54366	1.6
53.03945	3.6
55.01885	10.3
55.05511	24.8
57.03437	19.2
61.02913	3.2
65.03951	3.8
65.51561	1.8
67.05505	75.6
69.03419	7.4
69.07071	30.7
71.01347	3.6
71.05002	9.7
79.05043	3.5
79.05499	71.3
81.03409	13.1
81.07059	60.2
83.04980	17.5
83.08621	13.9
85.02895	6.8
85.06532	5.1
86.09693	5.9
90.37513	1.8
91.03966	2.6
91.04939	3.5
91.05484	44.9
92.05814	2.1
93.07044	76.6
95.04967	15.5
95.08614	26.4
97.02873	3.5
97.06539	28.4
97.10159	20.4
99.08067	3.1
105.04543	4.3
105.07036	31.2
107.04977	10.2
107.08594	55.0
109.02906	2.2
109.06497	7.5
109.10159	13.8
111.04500	1.9
111.08049	4.7
115.05475	2.1
117.07011	16.5
119.08580	22.5
121.06512	7.0
121.10143	14.8
123.08023	2.8
123.11722	2.6
125.00007	4.8
125.06033	1.8
125.09641	11.3
127.03928	2.6
129.06999	5.0
130.07758	2.3
131.08553	16.7
133.10129	24.0
135.08040	4.8
135.11693	59.0
136.12073	2.0
137.09575	3.5
143.08551	4.4
145.06454	1.9
145.10138	18.1
147.11714	10.3
149.09608	14.1
149.13222	6.7
151.11172	2.6
153.08995	1.9
153.12798	2.6
155.08575	3.6
157.10167	3.3
159.11687	14.3
161.13283	3.7
163.11226	13.1
165.12740	2.9
169.10147	2.8
171.11731	4.9
173.09517	2.0
173.13275	4.0
177.12750	3.5
179.14337	2.0
181.12259	14.8
183.11763	2.0
184.07350	21.0
185.13159	2.4
189.11223	4.2
195.13834	3.5
227.12804	16.7
229.19620	3.2
239.17767	3.3
255.15923	100.0
257.18994	13.2
269.17465	11.0
275.20087	33.4
293.21146	2.2
331.22339	3.6
349.23776	22.3
351.21628	3.1
409.25833	3.1
425.25305	9.0
433.29526	3.8
435.27451	22.8
436.27988	2.7
449.29013	81.3
450.29190	4.3
489.31830	2.9
511.34164	3.1
529.35217	54.8
530.35583	5.3
547.35974	9.5
593.32623	1.9
627.10626	2.3
699.32751	2.1
744.35602	2.0
745.41211	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	744.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54366	1.6
53.03945	3.6
55.01885	10.3
55.05511	24.8
57.03437	19.2
61.02913	3.2
65.03951	3.8
65.51561	1.8
67.05505	75.6
69.03419	7.4
69.07071	30.7
71.01347	3.6
71.05002	9.7
79.05043	3.5
79.05499	71.3
81.03409	13.1
81.07059	60.2
83.04980	17.5
83.08621	13.9
85.02895	6.8
85.06532	5.1
86.09693	5.9
90.37513	1.8
91.03966	2.6
91.04939	3.5
91.05484	44.9
92.05814	2.1
93.07044	76.6
95.04967	15.5
95.08614	26.4
97.02873	3.5
97.06539	28.4
97.10159	20.4
99.08067	3.1
105.04543	4.3
105.07036	31.2
107.04977	10.2
107.08594	55.0
109.02906	2.2
109.06497	7.5
109.10159	13.8
111.04500	1.9
111.08049	4.7
115.05475	2.1
117.07011	16.5
119.08580	22.5
121.06512	7.0
121.10143	14.8
123.08023	2.8
123.11722	2.6
125.00007	4.8
125.06033	1.8
125.09641	11.3
127.03928	2.6
129.06999	5.0
130.07758	2.3
131.08553	16.7
133.10129	24.0
135.08040	4.8
135.11693	59.0
136.12073	2.0
137.09575	3.5
143.08551	4.4
145.06454	1.9
145.10138	18.1
147.11714	10.3
149.09608	14.1
149.13222	6.7
151.11172	2.6
153.08995	1.9
153.12798	2.6
155.08575	3.6
157.10167	3.3
159.11687	14.3
161.13283	3.7
163.11226	13.1
165.12740	2.9
169.10147	2.8
171.11731	4.9
173.09517	2.0
173.13275	4.0
177.12750	3.5
179.14337	2.0
181.12259	14.8
183.11763	2.0
184.07350	21.0
185.13159	2.4
189.11223	4.2
195.13834	3.5
227.12804	16.7
229.19620	3.2
239.17767	3.3
255.15923	100.0
257.18994	13.2
269.17465	11.0
275.20087	33.4
293.21146	2.2
331.22339	3.6
349.23776	22.3
351.21628	3.1
409.25833	3.1
425.25305	9.0
433.29526	3.8
435.27451	22.8
436.27988	2.7
449.29013	81.3
450.29190	4.3
489.31830	2.9
511.34164	3.1
529.35217	54.8
530.35583	5.3
547.35974	9.5
593.32623	1.9
627.10626	2.3
699.32751	2.1
744.35602	2.0
745.41211	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.2
53.04112	0.7
55.00986	0.7
55.01812	2.0
55.05443	18.0
55.05738	2.4
57.03368	14.3
57.03674	1.3
57.07005	3.9
61.02856	6.7
64.74349	0.6
65.03886	1.8
66.04639	0.7
67.05427	49.1
67.05820	4.3
68.05777	1.0
69.03355	6.4
69.06991	17.8
69.07391	1.6
69.08867	3.9
71.04909	5.4
71.08549	2.4
73.02838	3.7
73.35589	0.7
76.74394	0.7
77.19524	0.7
79.05411	24.4
79.05914	1.9
81.03335	49.6
81.03857	3.1
81.06970	51.2
82.07325	0.8
83.04981	11.8
83.08533	25.5
85.02907	23.0
85.03369	1.6
85.06457	2.6
85.10110	0.7
87.04390	0.8
91.03946	4.7
91.05482	27.3
91.05993	1.6
93.07048	24.0
95.04970	19.3
95.05526	1.2
95.06257	0.7
95.08607	36.8
95.09174	1.5
97.02795	6.1
97.06527	4.9
97.10168	7.5
99.04352	1.5
99.08037	1.4
101.02316	1.5
105.04436	2.0
105.07031	19.9
107.04980	5.3
107.08591	12.8
109.02793	0.7
109.06524	4.0
109.10164	15.2
111.04335	2.1
111.08087	10.7
111.11644	1.4
113.05927	2.1
115.05357	1.0
117.06967	1.5
119.08575	18.7
121.06436	1.6
121.10149	13.9
123.07951	2.9
123.11715	6.1
125.09519	2.7
127.03860	1.7
129.07011	8.0
131.08568	9.3
133.06429	1.7
133.10138	13.5
135.11732	4.4
137.09523	2.1
137.13162	1.9
139.11116	1.1
142.07703	2.0
145.10011	2.8
147.08003	1.7
147.11685	14.3
148.11964	0.9
149.09630	4.9
149.13161	2.1
151.14789	1.2
157.10127	13.9
159.11523	0.8
161.13208	1.5
163.11073	0.8
163.14729	1.8
165.12683	2.6
171.11734	0.8
173.13205	0.8
175.11197	12.5
175.14720	1.5
179.90358	0.7
185.04128	1.3
193.12244	37.0
211.13292	60.6
243.08295	2.2
245.22644	2.3
263.23660	2.8
267.15906	17.3
285.16962	74.1
286.17282	1.7
322.28629	0.9
335.25583	1.5
337.27365	70.0
338.27621	1.6
425.17978	0.7
437.34161	0.7
443.18884	2.1
444.19083	2.1
455.34952	1.3
469.20099	1.3
470.20786	1.8
487.21616	2.8
488.21823	2.4
489.35803	2.8
497.30905	1.9
498.31210	4.5
529.38879	11.3
547.39935	100.0
548.40253	5.5
673.43445	0.8
685.34650	1.1
700.43280	1.4
726.45026	1.8
744.45837	79.8
745.41339	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01852	1.8
55.05511	16.7
57.03437	10.3
57.07079	4.1
59.05006	3.2
61.02930	5.5
65.03944	3.3
67.05507	100.0
68.05838	1.0
69.03438	3.2
69.07072	17.4
71.04995	25.0
71.08636	1.6
73.02570	0.9
73.02935	3.1
79.05495	37.2
80.05840	1.1
81.03419	9.4
81.07059	44.8
82.07413	0.8
83.04990	4.7
83.08624	13.1
85.02901	8.4
85.06561	3.7
86.09725	1.9
91.03973	3.3
91.05486	30.1
91.06059	1.6
93.07047	44.6
93.97758	0.8
94.05363	0.8
95.04985	9.5
95.08610	35.4
97.02892	4.1
97.06541	5.7
97.10201	3.2
99.08125	1.8
105.04551	2.5
105.07028	13.2
107.05001	1.2
107.08595	25.7
108.08913	1.1
109.06540	2.1
109.10160	68.7
111.08091	4.2
117.07028	6.0
119.08589	20.1
121.10136	19.5
121.10967	1.0
121.74984	0.8
123.08130	1.1
123.11699	4.6
125.09653	1.8
129.07059	1.6
131.08554	8.8
133.10112	7.6
135.08090	1.0
135.11697	16.9
135.82780	0.8
136.12181	0.9
137.09610	9.0
139.11183	2.3
141.13516	0.8
143.08556	0.9
145.10136	8.1
147.11678	6.4
149.09680	2.4
149.13263	4.2
151.11168	1.3
155.10718	3.0
157.10170	2.0
159.11737	3.7
161.13319	3.5
163.11250	3.7
163.14871	1.3
169.12318	2.4
173.11800	7.9
173.13341	3.5
175.11203	1.2
175.14914	1.1
181.12332	1.9
184.07347	1.8
187.13329	2.2
187.14952	1.3
193.12250	4.3
201.16406	1.5
211.13309	5.3
213.14986	2.1
243.08417	1.3
243.15988	3.0
255.15916	4.5
261.22305	3.4
267.13498	0.9
267.16129	3.1
269.13608	1.7
285.16928	5.4
287.18521	24.0
335.25797	25.3
336.26428	1.4
337.27414	6.7
363.25244	1.1
397.31284	2.1
423.32568	1.1
443.18988	1.6
444.19305	2.3
448.68634	1.0
469.20612	1.5
470.21335	1.6
471.34897	3.2
487.21335	1.0
488.21930	1.2
489.35736	91.6
490.35904	4.2
497.36697	1.8
498.31589	2.5
503.37259	2.6
515.37347	17.3
515.44684	1.5
517.39648	0.9
529.39038	3.9
533.38593	1.6
547.39935	92.4
548.40222	5.2
581.35327	0.9
684.81738	1.1
685.34351	2.4
726.44794	3.7
744.45880	59.1
745.44519	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.2
53.04112	0.7
55.00986	0.7
55.01812	2.0
55.05443	18.0
55.05738	2.4
57.03368	14.3
57.03674	1.3
57.07005	3.9
61.02856	6.7
64.74349	0.6
65.03886	1.8
66.04639	0.7
67.05427	49.1
67.05820	4.3
68.05777	1.0
69.03355	6.4
69.06991	17.8
69.07391	1.6
69.08867	3.9
71.04909	5.4
71.08549	2.4
73.02838	3.7
73.35589	0.7
76.74394	0.7
77.19524	0.7
79.05411	24.4
79.05914	1.9
81.03335	49.6
81.03857	3.1
81.06970	51.2
82.07325	0.8
83.04981	11.8
83.08533	25.5
85.02907	23.0
85.03369	1.6
85.06457	2.6
85.10110	0.7
87.04390	0.8
91.03946	4.7
91.05482	27.3
91.05993	1.6
93.07048	24.0
95.04970	19.3
95.05526	1.2
95.06257	0.7
95.08607	36.8
95.09174	1.5
97.02795	6.1
97.06527	4.9
97.10168	7.5
99.04352	1.5
99.08037	1.4
101.02316	1.5
105.04436	2.0
105.07031	19.9
107.04980	5.3
107.08591	12.8
109.02793	0.7
109.06524	4.0
109.10164	15.2
111.04335	2.1
111.08087	10.7
111.11644	1.4
113.05927	2.1
115.05357	1.0
117.06967	1.5
119.08575	18.7
121.06436	1.6
121.10149	13.9
123.07951	2.9
123.11715	6.1
125.09519	2.7
127.03860	1.7
129.07011	8.0
131.08568	9.3
133.06429	1.7
133.10138	13.5
135.11732	4.4
137.09523	2.1
137.13162	1.9
139.11116	1.1
142.07703	2.0
145.10011	2.8
147.08003	1.7
147.11685	14.3
148.11964	0.9
149.09630	4.9
149.13161	2.1
151.14789	1.2
157.10127	13.9
159.11523	0.8
161.13208	1.5
163.11073	0.8
163.14729	1.8
165.12683	2.6
171.11734	0.8
173.13205	0.8
175.11197	12.5
175.14720	1.5
179.90358	0.7
185.04128	1.3
193.12244	37.0
211.13292	60.6
243.08295	2.2
245.22644	2.3
263.23660	2.8
267.15906	17.3
285.16962	74.1
286.17282	1.7
322.28629	0.9
335.25583	1.5
337.27365	70.0
338.27621	1.6
425.17978	0.7
437.34161	0.7
443.18884	2.1
444.19083	2.1
455.34952	1.3
469.20099	1.3
470.20786	1.8
487.21616	2.8
488.21823	2.4
489.35803	2.8
497.30905	1.9
498.31210	4.5
529.38879	11.3
547.39935	100.0
548.40253	5.5
673.43445	0.8
685.34650	1.1
700.43280	1.4
726.45026	1.8
744.45837	79.8
745.41339	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01853	2.8
55.05509	18.4
57.03440	10.2
57.07084	3.0
67.05508	54.8
69.03440	2.6
69.07069	19.8
71.04998	8.1
72.54354	2.3
73.02919	3.0
74.54158	2.2
79.05507	26.3
81.03416	27.9
81.07060	41.3
83.04998	9.3
83.08624	18.8
85.02934	14.6
91.05482	18.6
93.07051	24.6
95.04970	16.4
95.08610	31.2
97.02892	3.4
97.10184	4.4
98.23598	4.1
100.71503	2.1
101.79899	2.2
105.07031	10.5
107.04958	2.8
107.08593	15.5
109.10162	19.2
111.08096	4.7
119.08570	14.4
120.00068	2.0
120.96687	2.8
121.10156	12.1
123.08137	2.5
123.11743	3.8
129.07008	4.5
131.08583	6.5
133.10138	7.9
135.11713	7.8
147.11714	9.0
149.09619	3.5
157.10143	6.4
168.13054	2.2
175.11189	5.4
193.12213	18.6
211.13289	19.3
219.06184	2.7
263.23605	2.6
267.15909	8.9
285.17029	24.0
287.18570	4.3
335.25812	5.3
337.27356	45.8
489.35904	15.9
515.36743	4.0
529.38550	8.4
547.39941	100.0
548.40204	6.4
569.74933	2.6
744.45990	52.7
745.39398	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	745.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85638	0.4
53.03952	0.3
55.05502	0.7
55.78199	0.4
57.03437	0.7
61.02921	1.8
64.38911	0.4
67.05499	1.1
69.03432	1.3
69.07063	0.8
69.14624	2.3
71.04962	0.5
73.02923	1.0
79.05502	1.7
81.03414	1.9
81.07055	1.8
83.04980	0.5
83.08630	0.7
85.02901	1.8
91.03955	0.9
91.05490	1.2
93.07050	1.0
95.04974	0.8
95.08652	0.9
97.02897	1.5
97.06557	0.9
105.07035	1.4
107.08620	1.1
109.02908	0.5
109.10187	0.6
119.08610	0.8
121.10135	0.6
123.11672	0.4
127.03921	1.0
131.08614	0.4
133.10210	0.4
135.11716	0.6
145.10080	0.5
147.11787	0.8
149.09624	0.5
163.11206	0.7
168.76559	0.4
179.46698	0.3
187.11232	0.4
195.09660	0.4
198.69379	0.3
243.08427	1.1
249.10962	0.5
267.09152	0.7
267.15909	0.4
283.15262	0.8
284.15665	0.4
349.09366	0.4
413.18198	1.0
467.18604	0.6
469.20465	0.6
485.19550	1.3
501.22897	4.5
641.31281	2.1
655.27130	6.3
655.37329	0.6
673.34467	0.6
687.35321	1.2
695.31366	0.4
727.34302	2.0
744.39142	0.6
745.34399	100.0
746.34753	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	745.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.4
55.05448	2.6
57.03377	3.0
57.59521	0.6
61.02861	5.4
62.77993	0.7
67.05443	7.5
67.92208	0.5
69.03423	3.8
69.07017	1.1
71.01295	0.8
71.04957	1.5
71.42526	0.7
73.02848	3.7
79.05492	3.5
81.03421	5.8
81.07054	4.3
83.04927	0.7
83.08546	1.9
85.02905	7.3
87.04437	0.8
91.03946	4.0
91.05479	3.4
93.06966	2.5
94.42081	0.6
95.04889	2.7
95.08518	2.0
95.09077	0.7
97.02900	5.0
97.06508	1.4
97.10149	0.7
99.04408	1.2
101.02334	1.5
105.06961	1.7
107.08484	1.7
109.02831	1.6
109.10157	4.7
111.08018	0.7
115.03877	1.1
119.08495	2.4
121.10088	0.9
127.03825	2.0
129.06824	0.8
131.08455	1.7
133.06470	0.7
133.10051	1.1
137.09482	0.6
145.04922	0.8
145.09962	0.8
147.11644	0.9
157.10085	0.8
158.11998	0.6
159.08049	0.6
163.11105	1.4
173.11679	1.8
175.11151	1.3
185.04167	1.1
193.12164	2.0
195.09789	0.9
211.13225	1.0
229.14247	1.7
243.08398	3.3
251.12579	2.0
259.09769	0.6
267.08804	0.7
283.15121	1.0
291.65649	0.6
337.96216	0.6
356.64951	0.8
413.17804	12.4
461.31726	0.9
467.18875	2.5
469.20432	14.0
479.26480	1.1
485.19751	1.1
501.23282	4.2
516.99530	0.9
585.28992	0.9
641.31415	100.0
642.31805	8.4
699.35114	0.9
727.35254	2.6
745.34924	97.2
746.35309	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	745.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.4
55.01889	0.9
55.05527	1.6
57.03447	1.3
59.05018	0.5
61.02925	5.2
61.03199	0.5
63.80467	0.5
67.05508	3.7
69.03429	3.6
69.07094	1.2
69.35164	2.1
70.06608	1.8
71.01373	0.7
71.05016	2.0
73.02921	3.4
79.05491	4.4
81.03420	4.6
81.07066	4.6
81.07415	0.4
83.05003	1.6
83.08633	1.1
85.02901	5.7
85.06575	0.9
87.04493	0.7
91.03973	2.3
91.05486	3.8
93.07060	3.8
95.04988	2.2
95.08606	2.6
97.02898	5.1
97.06573	2.1
98.23551	0.6
99.04495	1.4
101.02426	1.3
103.03983	0.5
105.07033	3.4
106.07393	1.0
107.04988	1.4
107.08606	3.5
109.02901	1.1
109.06557	1.3
109.10165	3.1
111.04465	1.0
111.08132	0.8
115.03999	0.6
117.07081	1.0
118.07350	0.5
119.07800	0.6
119.08583	3.6
120.08175	0.5
121.06556	1.4
121.10157	2.4
123.08093	0.8
125.09686	0.5
127.03989	1.6
129.07043	0.9
131.08647	1.8
133.06552	0.5
133.10144	2.2
135.11758	1.4
137.06039	0.9
137.09657	0.7
145.10139	2.7
146.10477	0.7
147.11766	1.5
149.09691	1.9
151.07600	1.7
151.11272	0.6
157.10170	1.4
159.11722	0.8
161.09787	0.6
163.11188	2.7
164.11566	0.4
165.09200	1.6
167.07068	0.6
172.83894	0.5
173.09753	1.6
175.07634	0.5
175.11241	1.1
181.12190	0.7
187.11211	0.9
191.10789	1.6
193.12381	1.5
203.05295	0.8
205.12383	1.3
206.12727	0.9
209.11957	0.6
209.15370	0.9
211.13336	0.5
215.10786	1.0
216.11044	1.1
217.12071	0.4
227.12981	0.9
233.11778	1.0
234.12212	0.6
235.13493	0.7
237.10901	0.5
243.08508	2.0
249.11201	1.5
249.19948	0.6
251.12772	0.5
267.12125	1.2
267.16068	1.0
283.15210	3.5
305.13721	0.6
323.14807	0.9
358.16306	0.6
358.20456	1.8
388.21558	1.8
413.18277	0.9
427.32492	0.7
441.16959	2.4
467.18973	3.2
469.20737	1.8
485.20004	6.3
485.26413	0.3
486.20480	0.5
501.23123	10.4
641.30841	0.8
655.29291	5.6
656.28278	0.6
695.32556	1.4
701.32556	4.1
713.33630	0.6
727.34351	4.1
745.36176	100.0
746.36823	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	745.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52924	0.1
55.01869	0.2
55.05513	0.5
57.03440	0.2
57.07061	0.2
57.49506	0.1
61.02921	0.3
65.03941	0.2
67.05502	1.0
68.05045	0.2
69.03439	1.0
69.07070	0.5
69.09531	0.1
70.06593	1.3
71.01347	0.2
73.02918	0.2
74.59017	0.1
77.03884	0.1
79.05496	1.2
81.03430	0.9
81.07056	1.1
82.03722	0.2
82.06585	0.3
83.04977	0.2
83.08607	0.2
85.02917	0.9
85.06547	0.2
86.09670	0.2
87.04468	0.1
88.84357	0.1
91.05479	1.2
93.07039	1.2
94.07402	0.2
95.04978	0.8
95.08607	0.5
96.08143	1.4
97.02903	0.6
97.06530	0.5
97.10169	0.2
100.11241	0.2
105.07034	1.0
107.04955	0.5
107.08593	0.5
109.02862	0.2
109.06524	0.4
109.10136	0.4
111.00178	0.1
111.04398	0.2
111.08100	0.2
115.03921	0.1
115.05441	0.2
117.07018	0.4
119.08565	0.9
120.08065	0.3
121.06467	0.7
121.10146	0.5
122.03631	0.2
123.04428	0.4
124.11263	0.2
125.02346	0.3
125.06000	0.6
125.09660	0.3
126.09129	0.2
126.25842	0.1
127.03883	0.3
128.06273	0.1
128.10725	0.8
129.07018	0.6
131.04887	0.1
131.08568	0.6
133.06473	0.2
133.10141	0.4
134.09680	0.2
135.04437	0.8
135.08026	0.4
135.10347	0.1
135.11658	0.1
136.11240	0.7
136.12135	0.1
137.05981	1.8
137.09615	0.2
138.12781	4.7
139.03856	0.1
142.12312	0.3
143.08566	0.4
145.06502	0.2
145.10161	0.4
147.08054	0.6
147.11667	0.3
149.05940	0.3
149.09633	0.3
151.03932	0.2
151.07590	0.2
153.05486	0.3
156.09312	0.2
157.06526	0.3
157.10136	0.2
159.08070	0.3
159.11656	0.2
161.06003	0.3
161.09637	0.3
162.09116	0.3
162.12825	0.4
163.07510	0.3
163.09865	0.2
163.11261	0.2
166.12302	0.2
167.07050	0.5
171.08102	0.2
171.11659	0.2
173.05957	0.2
173.09631	0.2
175.07559	1.0
175.11182	0.3
176.14394	1.4
177.05542	0.3
177.09094	0.2
181.04961	0.4
181.12152	0.1
184.08800	0.2
185.09586	0.2
187.11295	0.2
189.09096	0.3
191.07109	0.2
193.12248	0.4
194.12630	0.1
199.07484	0.2
199.11102	0.2
203.07060	0.8
204.13821	0.8
205.08693	0.3
205.14508	0.8
206.15437	0.3
211.11168	0.2
211.13147	0.2
212.08342	0.2
213.09068	0.2
215.07057	0.2
215.10741	0.3
217.08588	0.6
217.12262	0.2
227.10648	0.3
229.14256	0.2
230.09401	0.2
231.10184	0.5
232.16989	0.2
233.08153	0.9
233.11568	0.2
234.18489	0.4
239.10713	0.2
240.07788	0.2
243.10239	2.1
245.11736	5.5
254.17451	0.2
255.10167	1.2
255.18077	0.2
267.15973	0.3
268.16165	0.3
298.33493	0.1
302.17242	0.2
302.20966	0.2
311.16656	0.2
328.18890	0.2
330.20541	0.9
335.96274	0.1
340.19070	0.4
357.13281	0.2
358.20120	100.0
359.20450	3.8
387.14310	1.3
388.21146	1.8
389.21552	0.2
402.23813	0.2
494.28177	0.2
539.33667	0.4
582.36365	0.2
583.36371	0.5
671.96118	0.1
727.39978	0.4
745.43024	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01871	1.4
55.05512	5.2
57.03437	4.8
57.07063	1.2
59.97015	0.3
61.02633	0.5
61.02929	6.8
65.03944	0.8
67.05508	14.4
68.05821	1.3
69.03425	4.8
69.07069	5.4
70.07398	0.4
71.04979	1.6
71.08649	0.4
73.02915	4.1
79.05495	7.4
80.05824	0.8
81.03423	11.0
81.07059	13.1
82.03790	0.5
82.07400	1.6
83.01359	0.6
83.04983	2.6
83.08620	5.4
84.08980	0.9
85.02906	9.7
85.06536	0.9
86.03281	0.5
87.04467	0.5
91.03970	3.7
91.05486	6.6
92.05830	1.2
93.07043	7.2
94.07390	0.7
95.04960	4.2
95.08604	8.1
96.05316	0.6
96.08949	1.0
97.02891	5.7
97.06522	1.2
97.10178	1.0
99.04469	1.1
101.02399	2.4
101.81152	0.4
103.03925	0.5
105.04523	0.7
105.07045	4.5
106.07308	0.6
107.04975	1.6
107.08592	4.1
109.02892	0.9
109.06523	1.0
109.10151	3.8
110.10487	0.6
111.08085	1.5
113.06003	0.4
115.04003	0.4
117.06996	0.5
117.88099	0.4
119.08597	3.9
120.08888	0.7
121.10143	4.0
123.08070	1.0
123.11715	1.5
125.06017	0.4
127.03926	1.6
129.05499	0.3
129.07016	1.7
131.08586	1.8
132.08929	0.5
133.10129	2.7
134.10426	0.7
135.11679	2.1
139.11201	0.4
145.04979	0.4
145.10062	2.0
147.08110	0.5
147.11673	2.2
148.58348	0.4
149.09642	0.8
149.13226	0.7
157.10152	1.2
158.10468	0.7
163.11235	1.6
175.11229	1.8
176.11586	0.4
185.04169	0.5
193.12251	4.0
194.12584	1.4
203.05135	0.5
211.13275	6.2
212.13647	2.1
219.94467	0.4
234.97765	0.5
243.08424	2.1
249.11119	1.0
267.15955	1.9
268.16235	0.8
285.16962	5.9
286.17368	2.5
335.25781	1.0
335.75092	0.4
337.27344	9.1
338.27673	7.7
443.56592	0.4
444.19797	0.5
445.19806	0.4
467.18872	7.6
467.24789	0.7
488.22031	0.5
498.31201	0.5
499.31357	0.5
519.29340	4.4
529.38788	0.7
530.38586	2.4
547.39954	6.9
548.40265	16.0
744.46173	2.1
745.41174	100.0
746.41693	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.18410	0.3
55.01874	0.6
55.05517	1.5
56.53425	0.2
57.03436	2.1
57.07082	0.3
61.02929	4.7
65.03970	0.3
67.05511	5.3
69.03432	3.8
69.07069	1.2
71.01347	0.4
71.05003	0.6
71.52051	0.3
73.02921	3.7
79.05494	4.8
81.03406	2.0
81.07052	5.1
83.01342	0.4
83.05035	0.6
83.08623	1.2
85.02907	5.2
85.06551	0.3
87.04491	0.3
91.03960	3.1
91.05483	2.3
93.07047	4.9
95.04976	1.1
95.08614	5.0
97.02893	4.7
97.06541	0.7
97.10235	0.3
99.04473	1.0
101.02403	2.0
103.03970	0.4
105.07052	1.1
107.04993	0.5
107.08594	3.6
109.02898	0.7
109.10149	1.3
115.03953	0.4
116.06284	0.3
117.07052	0.8
119.08578	1.5
121.10126	2.4
123.11759	0.3
127.03921	1.4
131.08595	0.8
133.10138	0.7
135.11700	4.2
145.10110	2.5
147.11769	0.4
149.13293	0.4
150.25281	0.3
163.11188	4.9
181.12280	0.9
184.57550	0.3
185.04292	0.9
203.05402	0.4
219.09972	0.9
227.12802	3.7
230.15147	0.3
243.08449	3.2
249.10976	11.6
305.13556	2.2
328.57098	0.3
335.25989	0.5
467.18896	12.9
468.19180	0.4
519.29327	6.2
548.39948	0.4
583.35980	0.5
745.41284	100.0
746.41534	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01885	0.3
55.05517	1.0
57.03440	1.8
57.07076	0.3
60.86118	0.3
61.02926	5.4
65.74983	0.3
67.05505	4.6
69.03435	2.8
69.07069	1.1
69.38640	1.1
70.14449	0.2
70.67805	0.2
71.01340	0.3
71.04991	0.5
73.02917	4.0
74.33322	0.2
79.05502	3.8
81.03411	1.5
81.07061	5.2
81.07501	0.4
83.04977	0.4
83.08627	1.1
85.02914	5.5
85.06539	0.3
87.04470	0.4
91.03959	3.0
91.05472	2.1
93.07050	4.4
95.04980	0.7
95.08601	3.7
97.02904	4.6
97.06556	0.3
99.04493	0.8
101.02377	1.4
103.03950	0.3
105.07029	1.2
107.08586	2.0
109.02878	0.7
109.06553	0.6
109.10162	1.6
109.62933	0.3
115.03976	0.3
117.07036	0.4
119.08611	1.0
121.10143	1.9
123.11734	0.3
127.03920	1.6
131.08571	0.8
133.10170	0.8
135.11711	2.0
145.10156	1.1
147.11684	0.6
149.13326	0.3
156.74681	0.3
159.11765	0.4
161.13205	0.3
163.11183	1.6
181.12245	0.2
184.07426	0.8
185.04227	0.5
201.69356	0.3
203.05299	0.3
210.64034	0.2
212.40578	0.3
213.00894	0.3
227.12857	1.3
243.08400	2.6
249.10988	12.4
259.07950	0.3
305.13718	1.0
319.86450	0.3
335.25824	1.0
336.26248	0.4
337.26950	0.4
343.90604	0.3
354.49899	0.3
467.18973	5.3
468.19733	0.3
519.29303	8.5
548.39801	0.5
610.42194	0.3
685.72260	0.3
745.41290	100.0
746.41608	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01880	0.8
55.05507	1.5
57.03445	2.0
57.07046	0.4
61.02928	7.7
67.05506	5.6
69.03432	3.7
69.07072	1.6
71.01350	0.4
71.05002	0.8
73.01997	0.3
73.02916	4.5
75.04459	0.3
77.03953	0.3
79.05491	4.3
81.03419	2.1
81.07058	5.6
83.04961	0.7
83.08636	0.9
85.02905	6.2
85.23469	0.3
87.04466	0.5
91.03958	4.3
91.05484	2.8
93.07044	4.4
93.14014	0.3
95.04967	1.1
95.08607	4.4
97.02901	6.1
97.06545	0.6
97.10162	0.6
99.04448	1.0
101.02361	2.8
103.03977	0.5
105.07038	1.8
106.62334	0.3
107.04993	0.4
107.08591	2.4
109.02899	1.2
109.10178	1.9
111.04395	0.3
115.03953	0.5
117.06998	0.7
119.08613	1.5
119.74324	0.3
121.10146	1.8
123.08047	0.5
123.11697	0.3
127.03908	1.8
129.28333	0.3
131.08549	1.0
133.10100	0.7
135.11691	1.5
141.86002	0.3
145.10161	1.1
159.11697	0.4
163.11183	1.7
185.04280	0.8
203.05304	0.4
243.08380	2.2
249.11122	0.8
283.15424	0.4
283.78607	0.3
288.90741	0.3
335.25659	0.7
467.18839	3.9
468.19693	0.3
499.31281	0.4
519.29388	7.4
520.29224	0.7
548.39459	0.5
744.45636	0.7
745.41205	100.0
746.41602	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	746.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01871	1.5
61.02919	0.2
63.02365	0.2
65.03935	0.5
68.99795	0.2
69.03425	0.3
72.09809	0.1
77.03941	0.4
78.04713	0.4
79.05480	0.9
85.02884	0.6
85.10324	0.1
86.09722	0.2
89.03915	2.4
91.05481	8.3
92.05821	0.2
93.07054	0.8
95.04962	3.8
97.02931	0.3
97.06569	0.2
102.04683	8.7
103.05469	11.9
104.05740	0.2
105.03397	0.4
105.04486	0.5
105.07023	4.1
105.43137	0.2
106.04163	1.4
106.07352	0.2
107.04933	0.6
109.06496	0.5
115.05462	2.1
117.03377	6.9
117.07028	0.5
118.04183	0.3
119.04939	3.7
119.05721	0.3
120.05775	0.1
121.06508	1.7
121.07333	0.3
122.03658	0.3
123.04430	4.3
125.05926	0.2
128.06256	0.2
129.03349	0.3
129.04366	0.1
129.06984	0.3
130.03152	0.3
130.04143	8.0
131.04933	10.1
132.05734	0.2
133.02859	0.8
133.06490	3.7
134.03648	1.0
135.04427	0.8
137.05971	3.1
143.04924	0.6
143.06020	0.3
144.05685	0.4
145.02841	17.6
145.06483	0.4
146.03575	0.5
147.04404	9.6
148.04761	0.2
149.04837	0.3
149.05977	4.3
150.06734	0.2
151.03976	0.3
151.07545	0.5
153.05458	0.5
155.04900	0.2
157.06506	0.2
160.05226	0.6
161.02345	0.3
161.05977	9.5
162.03142	1.7
162.06758	18.4
163.03813	0.3
163.07269	0.5
165.05469	0.6
165.06972	0.2
171.04402	0.2
172.05164	0.3
173.05968	0.6
175.03793	0.2
175.05045	0.7
175.07549	0.7
177.05464	27.3
178.06252	2.8
178.07791	0.2
179.07111	0.3
179.08556	0.6
185.06029	0.2
186.05510	0.2
187.07489	1.0
188.04710	0.4
188.08290	0.4
189.05438	0.3
189.06964	1.1
190.07813	0.7
191.07013	3.4
191.08574	2.2
192.04181	0.2
193.04964	8.8
195.06538	0.5
199.03654	0.2
201.05426	2.2
201.07062	0.3
203.07053	0.5
205.06607	0.3
206.07277	0.7
207.08101	0.8
208.08813	0.4
211.07603	0.2
213.05461	1.5
217.06447	0.9
218.07243	1.1
219.06076	0.2
219.08073	3.3
220.08629	0.4
221.06027	0.2
221.09515	0.8
231.06509	13.3
232.06953	0.6
233.05807	0.2
234.06757	1.7
235.05489	0.2
235.07617	1.7
236.08267	0.6
245.06020	1.0
246.06694	0.5
247.07533	1.1
248.08276	0.3
249.05452	0.2
249.09039	1.6
250.09653	0.3
251.06822	0.3
259.07468	0.2
261.09158	0.2
262.06216	1.2
263.07034	2.3
264.07706	0.5
265.08643	0.2
267.10126	0.3
273.05484	0.5
277.08569	1.8
278.09244	0.3
279.06906	0.2
279.10187	0.9
280.07330	0.5
290.05661	0.5
291.06531	0.9
291.09793	0.2
292.07248	0.2
295.09589	1.7
305.08060	1.4
308.06720	0.5
321.07413	0.3
322.08203	0.3
323.09116	100.0
324.09470	4.1
325.10715	0.3
327.12222	0.5
334.96640	0.2
337.10617	1.2
355.11737	51.3
356.12100	2.2
407.11160	0.3
425.12387	0.6
549.17505	0.5
582.60498	0.2
587.57086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.05532	1.4
67.05504	2.3
69.03445	8.6
79.05485	2.6
80.05021	1.8
81.03436	7.9
81.07069	2.2
83.01357	9.7
83.04984	20.1
85.02921	5.1
87.00836	2.1
91.05495	4.6
93.07043	2.5
95.04983	3.4
95.08632	2.1
97.02891	4.1
99.04459	5.0
105.07017	3.0
106.06557	2.4
109.02898	3.5
109.06531	3.9
111.04462	7.2
113.06012	11.9
118.06583	1.4
120.08169	1.1
121.06509	3.7
123.08083	3.8
127.03941	7.9
129.05486	2.5
130.06499	1.5
130.81949	1.2
133.06519	1.2
134.31909	1.4
137.05974	1.9
138.06779	3.6
139.03903	16.0
144.08095	3.9
146.73370	1.2
148.07852	1.4
149.05971	7.0
151.03922	1.9
151.07568	2.6
153.09203	1.7
155.03354	6.7
157.05054	1.5
158.09677	2.4
160.07608	1.3
162.12794	1.9
165.05493	3.3
166.06276	5.1
167.03412	11.5
174.12747	1.8
179.07010	2.5
181.08572	6.1
184.07487	3.3
186.09132	1.9
186.12776	2.6
188.14417	1.4
194.09642	1.3
204.13826	4.1
207.06558	3.6
214.15919	8.3
232.16838	1.7
237.07501	2.1
239.09203	1.7
240.14008	1.3
242.15424	4.6
246.14824	1.7
260.16458	33.3
265.07074	100.0
266.07645	1.6
274.18381	1.5
283.08115	10.8
298.95969	1.3
302.17505	5.2
303.12607	1.3
326.17755	2.2
368.18576	4.4
386.19720	1.9
402.20602	1.8
404.22040	3.2
418.23581	1.5
422.23288	5.7
424.21271	3.0
436.24924	5.0
448.20959	1.6
454.25803	5.4
462.22556	6.1
466.22452	2.4
480.23837	59.3
481.24084	2.9
494.69528	1.5
498.24841	8.0
508.21829	3.7
522.24634	4.9
540.25830	4.9
588.25592	3.4
606.26770	2.5
626.29407	1.8
670.28339	2.4
684.30005	5.3
710.28113	8.3
728.29077	12.8
746.40643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.8
55.01875	1.8
55.05498	1.2
57.03437	1.4
61.02916	0.7
67.05496	1.4
68.99789	0.8
69.03437	7.6
69.07080	0.6
69.49712	2.6
71.04971	0.6
79.05486	2.0
80.05016	1.5
81.03419	7.2
81.07045	1.2
83.01342	9.4
83.04986	18.1
85.02912	6.7
85.06548	1.0
87.00830	2.4
87.01338	0.6
91.05477	4.3
93.07040	2.9
95.04962	2.1
95.08570	1.2
97.02898	4.0
97.06487	0.8
98.23479	0.9
99.04449	5.2
105.01883	1.3
105.04478	0.8
105.07016	1.4
106.06534	1.4
109.02887	3.6
109.06512	2.5
111.04452	5.3
113.06012	12.9
115.05461	0.9
117.07013	0.7
118.06538	2.0
119.04939	1.3
119.08574	1.7
121.06498	2.7
121.10153	0.7
123.04433	1.3
123.08080	1.7
127.03938	7.6
129.05519	3.2
130.06557	1.0
131.08577	0.9
132.08051	1.0
134.09592	0.6
135.04382	0.7
136.19623	0.6
137.05978	1.5
138.06767	3.5
139.03909	11.7
143.45621	0.6
144.08090	4.3
145.05006	1.0
145.06497	0.8
146.06024	0.6
146.09596	0.8
147.04445	1.1
148.05043	0.9
148.07578	0.6
149.05980	7.2
151.03886	2.8
151.07556	1.8
153.09097	2.8
155.03394	7.0
156.08090	1.1
157.04964	2.0
157.08885	1.6
158.09634	1.8
159.02893	0.8
160.07591	1.1
160.11223	0.9
162.12794	2.0
163.04117	0.6
163.07555	1.4
164.04689	0.7
165.05484	3.1
165.12758	0.9
166.06259	4.4
167.03397	14.5
168.08107	0.7
170.09593	1.2
172.07552	0.6
174.12796	1.2
176.14366	0.8
177.05492	2.5
178.06248	0.9
179.07040	2.7
181.08617	5.6
184.07524	1.1
186.09065	1.2
186.12755	1.9
188.14381	0.7
193.04828	0.6
193.12236	0.6
198.09160	0.8
202.12312	0.7
204.13873	4.5
207.06570	2.2
209.08118	1.2
214.15909	7.8
216.17493	1.0
223.10033	0.7
228.13853	0.7
230.24849	0.8
232.16908	1.6
235.05946	1.2
237.07597	1.7
239.09177	2.4
242.15404	4.5
246.14827	0.9
248.10606	0.8
251.09261	1.3
255.88434	0.7
257.15152	0.7
260.16458	30.5
261.11670	0.8
264.17429	0.7
265.07077	100.0
266.07468	2.5
266.11722	0.7
272.16464	0.6
274.17905	0.9
282.14841	0.8
283.08115	11.1
284.16467	1.1
290.11902	0.7
302.11749	0.8
302.17490	5.4
308.16287	0.7
310.18164	1.0
314.11472	0.7
322.17929	2.0
324.19400	2.9
326.17517	0.8
329.10364	0.9
330.10837	0.7
331.12073	0.7
342.20587	1.5
350.17288	1.3
366.20401	1.1
368.18558	3.4
386.19995	1.3
402.20807	1.2
404.21829	1.9
418.23694	2.1
422.23111	5.1
424.21097	3.4
430.20062	1.0
433.11182	1.0
434.22897	0.7
436.24854	3.6
438.18729	0.7
446.22189	0.8
448.21240	0.9
451.12213	0.7
454.26056	4.8
462.22873	4.3
466.22174	2.3
480.23837	54.8
481.24142	3.7
490.20377	1.1
498.25034	5.8
508.21848	5.6
522.24701	2.9
540.25867	4.2
564.25745	1.2
570.83356	0.8
588.25732	2.4
606.27014	1.0
625.69037	0.7
626.28320	0.9
640.30988	1.1
642.28632	1.6
666.29248	0.8
670.28619	2.0
684.29907	3.5
692.25922	0.7
710.28003	4.4
728.29419	8.8
746.41174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05036	0.7
57.03443	0.2
57.07092	0.2
58.06625	0.2
60.08169	6.4
67.05501	0.8
69.07069	0.3
69.63524	0.9
71.05000	0.2
71.07377	3.5
71.30280	0.2
76.49918	0.2
79.05502	0.8
81.03425	0.3
81.07072	1.1
83.08624	0.3
84.05458	0.2
86.09711	31.7
87.10055	0.3
88.64680	0.2
91.05492	0.8
93.07060	0.6
95.08617	0.5
95.14227	0.2
98.98472	3.5
102.08300	0.2
104.10744	2.2
105.07047	0.7
107.08591	0.6
117.07044	0.3
119.08623	0.3
121.10174	0.3
125.00011	21.5
132.37354	0.2
135.11700	0.4
145.10114	0.3
171.86145	0.2
184.07349	100.0
185.07660	0.8
198.34671	0.2
200.00822	0.2
215.25420	0.2
239.16403	0.5
251.34624	0.2
253.00024	0.2
269.17514	0.2
275.20020	0.2
307.45932	0.3
471.33743	0.3
531.36072	0.3
728.45026	12.0
729.44556	1.0
746.39539	0.7
747.38812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05029	0.7
58.06358	0.3
58.06616	0.5
60.07867	0.4
60.08165	6.3
67.05502	1.0
71.07373	3.9
73.45065	0.2
75.47330	0.2
79.05502	0.5
81.07053	0.4
81.12714	0.2
86.09708	29.9
87.10044	0.5
91.05463	0.3
93.07041	0.2
95.05001	0.2
95.08628	0.2
97.06516	0.2
98.98464	3.1
104.10749	2.8
105.07020	0.5
107.08565	0.3
111.46696	0.2
114.07593	0.2
119.08550	0.2
125.00006	20.7
133.10074	0.2
143.01077	0.3
184.07343	100.0
185.07727	1.0
201.22470	0.2
261.28296	0.2
358.19818	0.2
359.20190	0.3
728.44965	13.8
729.45709	1.0
746.39801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
54.23854	1.2
55.01878	3.8
55.05257	2.8
55.05511	40.2
57.03439	22.5
57.07080	10.0
57.88286	1.3
59.04986	3.5
61.02919	6.2
61.26300	1.4
61.91228	1.4
63.29784	1.4
65.03943	1.4
67.05158	2.9
67.05505	47.6
69.03422	6.2
69.06705	3.1
69.07066	41.0
70.60875	2.4
71.04984	5.1
71.08625	5.8
73.02929	2.2
79.05037	3.0
79.05492	39.5
81.03415	78.9
81.07056	60.5
83.04982	19.8
83.08621	51.4
85.02906	29.3
85.06544	3.5
85.10178	4.0
87.59023	1.4
91.03969	2.5
91.05479	40.4
93.07047	30.9
94.96078	1.4
95.04964	33.0
95.05533	2.6
95.08605	36.9
97.02887	5.7
97.06523	6.8
97.10172	19.6
97.26129	1.6
99.08071	1.8
103.50199	1.5
105.07027	25.7
107.04945	7.2
107.08578	18.1
109.06522	6.9
109.10165	18.1
111.04420	4.5
111.08092	15.9
111.11739	3.7
113.06024	2.5
119.08582	21.7
121.10143	23.5
123.08065	4.0
123.11718	6.3
125.09632	1.5
129.07002	12.9
131.08556	12.4
133.06506	4.3
133.10141	13.5
135.11694	10.8
137.09657	2.2
142.07736	1.7
145.10057	2.4
147.08009	3.6
147.11674	21.7
149.09616	8.0
149.13249	4.2
157.10144	14.8
163.14914	1.8
165.12749	3.2
175.11176	19.6
193.12239	46.8
211.13286	63.1
212.13676	1.8
265.25198	1.9
267.15915	18.2
285.16962	72.0
286.17337	1.8
339.28928	73.3
340.29288	3.2
416.47186	1.4
531.40369	13.8
549.41486	100.0
550.41925	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	746.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01884	1.6
55.05513	17.7
57.03442	10.1
57.07081	5.2
61.02919	2.6
67.05505	21.5
69.03427	3.0
69.07069	21.9
69.35879	2.5
69.36286	2.4
71.04994	2.5
71.08613	3.3
74.81068	0.8
79.05497	15.8
81.03419	31.0
81.07061	28.1
83.04971	8.1
83.08624	24.6
85.02901	14.9
85.06547	2.2
85.10175	1.3
91.05476	16.3
93.07040	15.9
95.04975	12.5
95.08611	20.4
97.02912	3.3
97.06537	2.9
97.10175	9.9
105.07028	9.3
107.04951	2.6
107.08595	9.5
109.06496	2.7
109.10159	9.8
111.04459	1.5
111.08133	4.7
111.11717	3.1
113.05995	1.6
119.08577	8.6
121.10144	10.2
123.11710	3.4
125.09626	1.4
129.07028	4.3
131.08592	4.3
133.06477	1.4
133.10120	4.3
135.11670	6.2
142.07773	1.3
147.08076	1.2
147.11682	8.8
149.09633	4.1
149.13240	2.6
157.10135	5.8
175.11176	7.4
193.12238	22.1
211.13287	30.2
249.14748	1.2
265.25211	1.8
267.15948	13.3
274.81140	1.0
285.16986	43.2
339.28937	74.5
340.29224	3.7
457.36673	1.3
487.74338	0.9
488.39859	0.9
524.75171	1.1
531.40424	17.9
549.41510	100.0
550.41815	7.2
706.91937	1.1
746.41229	2.1
747.41193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.8
57.03409	0.8
57.07084	0.5
59.04981	0.6
61.02927	1.1
64.94853	0.5
65.12179	0.6
66.33624	0.5
67.05489	1.2
67.18121	0.5
69.03411	2.3
69.34177	0.5
69.89471	0.5
71.04980	0.8
71.43105	0.6
74.96488	0.5
79.05477	1.4
79.64919	0.5
81.03410	1.6
81.07057	2.5
83.08585	0.8
85.02895	1.8
91.03957	0.8
91.05476	1.9
93.07014	1.7
95.08576	1.6
97.02869	1.8
99.04522	0.5
101.02368	0.5
105.06989	1.6
107.08569	1.2
109.06481	0.8
109.10116	1.6
119.08556	0.6
121.10123	0.8
123.08051	0.6
123.11639	0.7
133.06458	0.7
133.10112	1.4
145.10153	0.8
147.11662	0.8
151.07532	1.2
169.04701	0.7
175.07433	0.9
185.04176	0.8
191.10638	1.1
203.05247	0.9
215.10590	0.7
231.13516	1.1
249.14473	0.9
277.14056	1.3
283.14905	0.9
315.11914	0.9
321.09357	1.8
335.10925	1.2
336.11658	3.8
345.13107	0.8
375.14001	1.9
391.17365	3.7
393.18808	0.9
403.87708	0.5
411.19623	0.9
428.32416	0.6
435.16422	6.2
453.17545	0.8
465.20328	0.8
469.20190	1.9
487.21048	1.0
495.17990	2.1
501.23019	3.3
521.16229	0.7
529.24225	3.4
539.17169	5.8
543.25177	2.2
544.26160	3.2
599.32080	6.9
600.32507	1.0
643.31274	4.2
657.28912	35.6
658.28729	2.3
661.31360	1.5
703.33368	15.1
704.32593	1.1
729.36469	1.1
746.35724	0.8
747.31616	100.0
748.32056	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	747.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
56.42599	0.4
57.03434	0.7
58.45885	0.4
61.02894	1.8
67.05506	2.2
69.03388	1.5
69.07063	0.9
69.43694	1.9
73.02878	1.1
79.05500	2.2
81.03419	2.5
81.07049	3.5
83.01083	0.4
83.08578	0.9
83.56083	0.5
85.02854	1.6
91.03927	1.1
91.05431	2.0
93.07042	2.3
95.04936	1.0
95.08550	1.2
97.02888	2.5
101.02348	0.8
105.06966	1.6
107.08514	1.8
109.06496	1.0
109.10162	2.1
119.08501	1.8
121.06366	0.6
121.10085	1.4
123.08060	0.5
127.03865	0.8
129.06966	0.6
131.08507	0.5
133.06369	0.4
133.10052	1.6
135.11618	0.7
145.10066	0.5
147.11670	0.9
149.09566	1.1
157.10078	1.0
169.04616	0.7
175.11169	0.5
185.04123	1.0
185.88530	0.5
189.84402	0.5
193.12018	0.8
203.05161	0.7
218.52008	0.5
231.13403	1.4
233.11656	0.7
243.08264	0.8
249.14424	1.0
251.12405	0.5
267.15674	0.8
273.10803	0.7
277.13956	1.4
283.14926	1.7
321.09143	1.6
334.09531	0.5
335.10577	1.3
335.68069	0.5
336.11749	3.6
337.12262	0.6
375.13641	1.7
375.95776	0.5
391.17279	5.1
392.17603	0.5
393.18924	0.5
411.19547	1.0
417.15018	0.5
435.16232	6.4
436.16620	0.6
453.17044	1.1
469.20544	2.6
487.21429	2.3
495.17828	1.8
501.22952	5.1
521.16016	1.0
529.24170	3.1
539.17328	7.1
540.17566	0.5
543.24823	1.9
544.26343	2.4
580.29651	0.5
599.31982	7.2
631.25507	0.5
643.30811	3.0
657.29523	6.5
703.33228	11.7
704.31714	0.8
729.34503	2.0
747.31183	100.0
748.31482	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	747.3774
Annotation	Pandicine
Peak:m/z	Relative Intensity
52.33481	0.3
53.03939	0.5
53.45433	0.3
55.01860	0.4
55.05513	0.5
57.03438	1.8
59.05013	0.5
61.02930	3.5
67.05508	1.5
69.03432	2.6
69.07076	1.2
71.01382	0.6
71.05003	1.2
73.02925	2.8
79.05489	3.0
81.03414	4.5
81.07047	2.5
83.08614	0.7
85.02912	3.5
85.06560	0.4
91.03970	1.8
91.05455	3.1
93.07042	2.3
95.04998	1.5
95.08636	0.7
97.02889	2.8
97.06567	1.1
98.22613	0.7
99.04462	0.5
99.08167	0.3
101.02396	1.6
105.07040	2.1
105.10525	0.3
107.05006	0.6
107.08629	1.3
109.02886	0.7
109.06522	0.5
111.04508	0.4
111.08114	1.2
112.37332	0.4
118.16838	0.3
119.08627	1.2
121.10148	3.1
121.55953	0.3
127.03939	1.2
129.07024	0.9
131.08606	1.4
133.10182	1.1
139.11212	0.8
145.04993	0.4
147.11749	1.0
149.09624	1.8
157.10178	1.0
175.11259	1.2
193.12259	2.7
203.05453	0.5
225.14989	0.6
243.08472	2.4
251.12753	0.9
267.16046	1.1
269.13669	1.7
283.15179	4.2
325.16263	0.5
339.18140	0.7
425.18188	0.4
443.18872	6.0
444.19363	0.5
469.20428	3.4
477.29181	0.5
487.21561	7.5
501.23038	15.2
502.23584	0.7
536.20728	0.4
703.35010	2.7
729.36829	1.9
747.37720	100.0
748.38086	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87280	0.4
55.05516	1.6
57.03447	2.8
57.07076	0.7
61.02932	5.6
64.94292	0.4
65.03940	0.4
67.05510	5.5
68.78852	0.4
69.03431	3.7
69.07064	0.9
69.27908	2.2
71.05032	0.4
73.02921	3.7
73.23582	0.4
79.05493	3.5
81.03432	3.5
81.07066	4.6
83.08612	0.8
85.02911	6.9
86.09718	0.4
90.11642	0.4
91.03970	4.0
91.05470	2.4
93.07063	3.4
93.07570	0.6
95.04990	1.4
95.08609	3.6
97.02885	5.3
97.03378	0.5
97.06541	0.5
99.04473	1.4
101.02370	2.0
105.07040	1.5
107.08568	2.1
109.02898	0.6
109.10161	1.3
115.03943	0.5
116.98251	0.4
118.27899	0.4
119.08598	1.3
121.10154	2.0
123.07993	0.5
127.03925	1.7
131.08591	0.9
133.06543	0.4
133.10098	0.8
135.11731	0.8
145.05029	0.6
145.10190	0.6
147.11737	1.0
157.10173	0.5
159.11780	0.5
159.22522	0.4
175.11238	0.7
184.07413	0.6
185.04330	0.7
193.12312	1.5
194.12692	0.4
211.13474	1.5
243.08357	2.7
251.12611	5.7
307.15039	0.8
314.27551	0.5
324.40897	0.4
335.26016	1.4
456.68634	0.5
469.20401	6.3
519.29315	7.2
702.93719	0.5
747.42853	100.0
748.43213	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
57.03432	1.6
61.02930	4.7
67.05504	3.2
69.03433	2.6
69.07091	0.7
69.68655	1.2
71.05004	0.6
73.02918	3.2
79.05500	2.3
81.03419	3.6
81.07054	3.7
83.08628	1.4
85.02914	4.9
91.03957	2.7
91.05014	0.3
91.05480	2.1
93.07047	2.5
94.27199	0.3
95.04984	1.6
95.08601	2.4
97.02893	3.8
99.04466	0.6
101.02404	1.4
105.07048	0.8
107.08611	1.4
109.02880	0.5
109.10154	0.5
111.08108	0.4
113.14133	0.3
113.59204	0.4
115.03956	0.6
115.80251	0.3
119.08636	1.2
121.10162	1.1
127.03964	1.0
129.07021	0.5
131.08632	0.5
133.10146	0.8
147.11740	1.0
149.09813	0.3
149.13316	0.4
157.10179	0.4
175.11253	0.8
184.07477	0.9
185.04265	0.4
193.12206	2.6
204.25821	0.3
211.13364	1.4
217.15115	0.3
221.11539	0.4
243.08383	2.3
243.70758	0.4
251.12636	3.0
307.15265	0.8
335.26025	0.7
469.20474	7.6
519.29346	5.3
747.42841	100.0
748.43134	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77736	0.3
55.01876	0.5
55.05511	1.0
57.03441	1.6
61.02926	4.6
67.05509	3.9
69.03432	2.3
69.07063	0.7
70.70116	0.3
71.05001	0.4
73.02927	3.0
79.05499	2.7
81.03429	1.8
81.07063	3.3
83.08633	0.6
85.02914	4.4
87.04482	0.3
91.03959	2.2
91.05489	2.6
93.07059	2.9
95.05005	0.7
95.08623	2.2
97.02898	4.0
97.73409	0.3
99.04491	0.7
101.02399	1.4
103.03977	0.4
105.07047	1.1
107.08631	1.1
109.02876	0.6
109.10164	0.9
117.07027	0.3
119.08578	0.6
121.10203	0.8
123.11785	0.4
127.03934	1.1
131.08604	0.8
133.10144	0.8
135.11705	0.7
147.11732	0.7
160.57307	0.3
175.47897	0.2
193.12286	0.4
203.05278	0.4
209.16055	0.3
243.08531	1.0
251.12515	0.5
263.94223	0.3
268.93219	0.3
335.25790	0.4
469.20499	2.8
470.20825	0.3
519.29315	5.4
577.33118	0.5
649.27625	0.4
747.42889	100.0
748.43182	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01871	0.3
55.05508	1.4
57.03443	1.7
61.02928	5.2
62.62235	0.3
65.03951	0.5
67.05503	3.1
69.03430	2.6
69.07068	0.7
69.29182	1.6
71.05008	0.3
73.02917	3.8
79.05491	3.0
81.03414	3.1
81.07059	3.2
83.08610	0.8
85.02907	4.6
91.03963	2.6
91.05468	2.1
93.07049	2.1
95.04979	1.1
95.08620	2.0
97.02884	3.6
99.04444	0.7
101.02387	1.8
105.07045	1.4
107.08612	0.8
107.83566	0.4
108.16769	0.3
109.02889	0.4
109.10179	0.9
111.08094	0.5
115.03959	0.5
119.08598	1.0
121.10146	1.2
127.03947	1.1
129.07014	0.7
131.08543	0.8
133.10161	1.0
135.11729	0.4
137.12991	0.3
147.11749	1.0
149.09566	0.5
151.17719	0.4
157.10136	0.8
175.11121	0.5
185.04289	0.6
193.12297	0.9
203.05421	0.6
209.01685	0.4
243.08344	1.9
251.12477	0.7
283.86691	0.3
306.31793	0.4
307.15073	0.4
420.27274	0.4
469.20392	7.4
519.29236	3.8
557.46454	0.4
747.42847	100.0
748.43201	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	747.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05527	0.8
57.03426	1.1
60.42314	0.3
61.02932	4.0
65.03949	0.4
67.05510	4.0
69.03428	1.8
69.07064	1.0
71.04992	0.4
71.42886	0.3
73.02922	2.1
79.05501	3.1
81.03431	1.3
81.07061	4.3
83.08640	1.0
85.02902	3.7
86.09715	0.6
91.03955	1.7
91.05488	2.4
93.07054	4.7
95.04998	0.8
95.08599	2.6
97.02883	3.3
97.06529	0.4
97.10159	0.5
99.04459	0.7
101.02400	1.4
105.07025	2.5
107.08611	2.8
109.02886	0.6
109.10187	0.8
111.08132	0.7
115.03941	0.4
117.07037	0.6
119.08586	1.8
121.10126	1.8
127.03940	1.3
129.07037	0.5
131.08632	0.8
133.10124	1.6
135.11707	1.0
143.08574	0.5
145.05048	0.4
145.10127	0.5
147.11671	0.8
149.13272	1.8
159.11774	1.0
161.13292	0.4
184.07379	1.8
185.04247	0.9
235.13071	0.9
241.07071	0.4
243.08411	2.4
291.15683	0.6
301.09024	1.3
315.10626	0.5
421.90079	0.4
443.18765	0.4
453.20917	8.4
465.21225	0.8
525.23346	1.2
530.03400	0.3
535.28778	4.7
548.65582	0.5
747.42871	100.0
748.43219	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	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.05507	1.8
57.03434	1.7
61.02927	5.2
67.05508	4.9
69.03423	2.7
69.07076	2.1
69.39755	0.5
71.04992	0.7
73.02914	4.0
73.49969	0.5
78.48434	0.5
79.05501	4.7
81.03443	2.2
81.07061	7.0
82.07362	0.6
83.08632	1.6
85.02890	4.5
87.04433	0.5
91.03968	3.0
91.05485	4.3
93.07041	5.1
95.04973	1.6
95.08599	3.1
97.02876	4.0
97.06522	0.7
99.04443	1.2
101.02387	2.1
104.74844	0.5
105.07044	3.6
107.08590	3.8
109.02872	0.6
109.10148	1.2
117.07057	1.2
119.08614	2.0
121.10174	2.0
125.00013	1.0
127.04005	1.3
131.08606	1.5
133.10091	2.9
135.11742	1.5
145.10201	0.8
147.11760	1.2
149.13306	1.0
151.11232	0.6
173.13289	0.7
184.07396	1.7
185.04184	0.7
195.13904	1.0
216.66354	0.5
235.13121	0.9
243.08469	3.1
252.67860	0.5
260.78348	0.6
301.09061	1.6
336.26260	0.8
453.20908	7.9
469.20154	0.9
525.22699	0.8
535.28772	5.7
747.42865	100.0
748.43134	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	747.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
54.60746	0.2
55.05503	0.2
56.05025	0.6
62.68169	0.2
67.05495	0.5
68.05023	0.2
68.50139	0.2
69.03423	0.6
70.06574	0.5
70.18137	0.4
76.27055	0.2
76.32063	0.2
77.03918	0.2
79.05495	2.0
80.05026	0.2
81.07056	9.3
82.06563	0.5
83.07338	0.2
84.07684	0.2
84.08147	2.5
88.53156	0.2
91.05453	0.4
93.07038	1.2
95.04983	0.3
95.08588	1.0
96.08126	1.5
97.02956	0.2
97.08925	1.7
98.09659	0.2
105.07014	0.5
106.04227	0.2
107.04947	0.2
108.08119	0.4
109.06522	3.1
110.09678	3.1
110.10428	0.2
111.04443	0.2
112.07680	0.2
119.05020	0.2
119.08617	0.3
121.10133	0.7
122.09653	0.7
123.04388	0.2
123.10439	0.4
124.11231	0.2
125.05976	0.2
131.04900	0.2
131.08577	0.2
134.09607	0.4
135.10355	0.2
136.11221	4.5
137.05972	8.0
137.11971	0.2
138.06236	0.2
138.12776	23.2
139.13127	0.4
146.47438	0.2
148.11191	0.5
149.05991	0.2
150.09138	0.3
150.12776	2.3
151.07552	0.2
151.13559	2.6
162.12750	0.7
163.07547	0.3
163.13577	0.4
164.14352	5.9
167.07018	0.6
168.10216	0.3
174.12645	0.2
176.14326	0.5
181.04985	0.8
182.11761	0.4
190.15903	0.3
191.07034	0.8
192.17455	0.5
194.11787	0.5
209.08054	1.0
216.13773	0.2
222.14871	0.4
227.50243	0.2
234.14882	0.2
236.16405	1.0
238.18021	0.5
243.06380	0.2
262.18011	4.5
263.09146	0.2
285.14923	0.4
291.84015	0.2
300.19595	2.2
310.21692	0.3
328.22888	0.2
346.23785	0.2
356.21979	0.4
359.21024	0.2
374.23245	100.0
375.23618	4.2
567.83539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01868	6.5
55.05515	2.4
57.03437	6.2
59.04996	0.6
61.02929	6.8
67.05502	7.0
67.05827	0.8
68.99786	2.4
69.03428	32.8
69.07072	1.7
69.16093	1.4
69.16486	2.1
70.03764	0.7
70.45892	0.6
71.01355	0.8
71.04990	4.3
71.10467	0.5
73.02905	5.6
74.17226	0.5
79.05478	4.2
81.03418	24.2
81.07059	13.7
81.07544	0.4
83.01339	1.4
83.04935	0.5
83.08636	1.2
85.02904	100.0
86.03213	0.7
87.00828	40.5
87.04465	1.4
87.49738	0.6
91.03960	2.3
91.05467	4.3
93.07041	8.1
95.04967	0.9
95.08602	13.0
97.02892	36.2
97.10174	5.6
99.04449	12.1
101.02367	1.0
103.03894	0.9
105.01868	57.8
105.07031	6.7
105.20145	0.5
107.08597	6.6
109.02877	31.8
109.10147	11.6
111.04441	1.8
111.11716	1.1
115.03928	1.4
117.01875	2.9
117.06959	0.6
119.08589	7.5
121.10139	11.2
123.11699	9.1
125.09637	0.8
127.03913	67.6
129.01848	3.0
131.08597	1.3
133.10123	8.3
135.11697	10.4
137.13229	0.7
139.11168	1.3
143.08490	0.6
145.04958	26.4
145.10115	1.8
147.02882	2.6
147.11685	10.9
149.13261	11.9
151.03925	1.7
155.54358	0.6
157.52904	0.6
159.02899	10.0
159.11688	1.9
161.13258	15.5
162.07587	1.3
163.05983	0.9
163.14789	2.0
165.12799	1.0
169.94582	0.5
171.11688	0.8
173.13281	2.8
175.14806	16.2
177.16420	0.6
179.14293	1.7
180.08698	6.4
183.02789	0.6
185.13293	1.2
187.14825	4.7
189.03958	2.0
189.16357	1.1
193.15892	3.0
199.14774	0.7
201.16364	5.5
203.14326	0.6
213.03934	5.8
213.16385	0.7
215.18074	1.5
229.19370	0.6
231.04991	31.3
243.21207	1.0
249.03581	1.1
249.06053	17.2
255.21086	2.4
257.22635	85.3
258.23068	2.6
267.21091	1.4
273.22119	1.3
275.23697	69.3
276.24045	3.0
285.22037	4.5
303.23169	19.7
321.24268	9.6
341.24783	1.8
347.23993	0.7
365.24612	3.3
383.25778	9.3
429.26373	0.7
443.27878	2.2
451.24414	0.8
469.26089	2.8
469.31549	0.6
481.41083	0.5
487.26904	21.0
488.27054	1.4
505.27951	24.0
506.28040	1.4
523.28949	8.4
533.27393	1.9
551.28467	22.5
552.29248	0.8
586.31982	0.9
748.36835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01869	0.5
55.05511	1.5
57.03441	1.9
59.05023	0.3
61.02926	3.4
61.19515	0.3
67.05506	4.9
69.03433	2.2
69.07063	2.6
71.01366	0.8
71.04980	0.7
72.70483	0.3
73.02918	2.6
79.05492	3.8
81.03432	1.7
81.07058	3.9
83.04998	0.8
83.08619	0.8
85.02917	3.5
87.04473	0.4
91.03945	2.1
91.05489	2.5
93.07055	3.8
95.04990	1.0
95.08610	1.8
95.52554	0.3
97.02888	2.7
97.06544	1.1
97.10173	1.2
99.04472	0.5
101.02380	1.6
103.03975	0.4
105.07036	1.4
107.05006	0.4
107.08591	3.0
109.02917	0.5
109.06535	0.5
109.10175	1.3
111.08125	0.4
115.03918	0.3
117.07063	0.7
119.08616	1.3
121.10162	1.0
127.03978	0.9
129.07037	0.4
131.08615	0.5
133.10146	0.7
135.11694	3.6
135.12637	0.3
136.06421	0.3
145.04962	0.4
145.10191	0.8
159.11705	0.4
181.12271	0.4
185.04224	0.3
221.11520	1.5
229.14366	0.8
243.08386	2.4
255.15910	0.5
301.09219	0.5
311.69089	0.3
333.20361	1.7
389.23276	0.4
392.10217	0.4
439.19385	9.7
439.25391	0.5
453.21066	0.8
551.28290	4.7
553.33875	0.3
718.62695	0.4
749.40765	100.0
750.41144	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	749.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.05513	1.3
56.71326	0.5
57.03440	1.7
60.74468	0.4
61.02919	3.5
67.05501	5.8
69.03428	2.5
69.07079	1.4
71.04986	0.6
73.02922	2.6
79.05502	4.4
81.03428	2.0
81.07055	4.7
83.01320	0.5
83.04996	1.0
83.08630	0.8
85.02911	3.5
85.06548	0.7
91.03967	1.8
91.05506	1.8
93.07043	4.3
95.04980	0.8
95.08626	1.7
97.02894	4.2
97.06548	0.8
97.10160	0.9
99.04492	0.5
101.02396	1.1
105.07048	1.5
107.04992	0.6
107.08591	2.5
109.02940	0.6
109.10146	2.4
117.07024	0.8
119.08592	1.1
119.61839	0.4
121.10144	0.9
127.03896	0.7
131.08574	0.5
133.10115	0.8
135.11696	3.2
145.10184	1.1
147.11757	0.5
163.11212	1.0
184.07358	0.6
185.04318	0.6
203.05400	0.6
221.11494	0.8
229.14478	1.0
236.14093	0.5
241.77100	0.5
243.08447	2.2
301.00089	0.5
333.20380	1.2
439.19400	9.4
453.21069	1.2
469.21106	0.8
473.55325	0.5
551.28522	3.9
638.92706	0.5
731.37848	0.5
749.40765	100.0
750.41187	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	749.445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99399	0.5
55.01876	0.9
55.05516	2.2
57.03435	2.7
57.07071	0.8
59.51264	0.5
61.02932	4.5
67.05505	7.0
69.03432	2.8
69.07075	3.2
69.49490	2.4
71.05002	2.3
73.02907	3.9
79.05499	3.9
81.03424	3.7
81.07059	6.2
83.04982	1.2
83.08620	1.9
85.02901	5.1
85.10190	0.6
86.09738	0.6
86.57032	0.5
87.04459	1.0
88.23055	0.6
91.03950	3.0
91.05463	2.6
93.07034	4.3
95.04988	1.6
95.08616	3.8
97.02901	3.8
97.06532	1.0
97.10172	1.1
99.04484	0.9
101.02406	1.5
105.07055	1.6
107.04935	0.8
107.08606	2.6
109.06519	0.8
109.10172	3.9
111.04497	1.2
119.08609	1.8
121.10173	2.5
125.00033	0.7
127.03912	1.5
131.08559	1.5
133.10138	0.5
135.11723	2.9
137.09604	0.8
145.10210	1.8
147.11719	1.1
153.12756	0.8
163.11171	1.3
173.11897	0.6
184.07411	2.3
203.05290	0.7
223.13266	1.1
231.56459	0.5
241.14394	1.2
243.08473	1.8
247.70226	0.6
253.14192	1.2
254.90186	0.5
267.16016	1.7
280.74252	0.5
283.15463	1.7
311.25992	2.3
312.26260	2.1
313.27414	0.8
315.18210	1.9
316.18469	1.1
388.20859	0.7
458.53079	0.8
469.20343	1.2
471.21927	6.5
472.22083	0.6
486.17966	0.6
502.36246	0.9
519.29761	3.7
519.36670	1.2
520.37152	3.3
534.39233	0.9
551.40350	0.6
552.39728	3.0
749.44385	100.0
750.44836	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	749.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05516	2.7
56.05030	1.2
57.03433	0.9
57.07085	2.5
60.04528	12.2
65.94085	0.4
67.05507	4.9
68.05031	1.3
69.03428	0.5
69.07066	3.9
70.06591	1.2
71.04993	0.7
71.08636	1.6
72.04536	0.4
73.02912	0.9
79.05491	2.4
80.05018	1.8
81.07063	6.9
82.06559	1.1
83.04980	0.8
83.08629	2.6
84.04497	0.9
84.08137	3.3
85.02867	0.5
85.10205	0.6
91.05505	1.2
92.86640	0.4
93.07048	3.6
95.04961	0.8
95.08603	6.5
97.06536	1.4
97.10170	2.5
102.05543	22.2
102.06229	1.1
103.03939	0.7
105.80862	0.4
107.08590	1.7
109.06535	0.8
109.10166	2.3
111.11712	1.1
119.08591	0.6
120.06567	3.4
121.10157	3.6
122.09673	1.0
123.11724	1.3
135.11714	2.6
137.11919	0.4
137.13165	0.7
138.12776	1.5
144.47360	0.5
149.13252	0.8
151.07567	0.5
162.12753	0.6
181.28209	0.5
186.16457	0.5
210.22112	0.5
219.21156	0.5
222.14905	2.7
223.20618	0.9
223.98328	0.5
237.22241	1.3
248.23749	1.1
249.22127	2.4
266.24820	4.2
274.14331	6.7
284.25833	10.5
302.13864	4.9
302.26901	28.1
303.27316	1.2
320.18585	33.2
320.27954	100.0
321.18927	2.1
321.28220	2.2
418.22458	0.8
430.18701	5.9
454.70074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01864	2.5
55.05261	1.2
55.05514	18.3
57.03437	12.4
57.07081	1.8
59.04995	5.9
61.02932	5.0
61.60390	0.6
63.95100	0.6
65.03943	2.3
67.05507	100.0
68.05823	1.0
69.03428	2.8
69.07066	6.0
71.01366	1.6
71.04992	4.4
73.02916	2.1
79.05490	9.6
81.03419	6.0
81.07058	19.1
83.01335	1.0
83.04987	3.2
83.08628	8.4
85.02905	8.3
85.06542	2.5
87.04469	2.8
91.03957	2.2
91.05476	7.9
93.07051	6.5
95.04980	2.3
95.08606	8.4
97.02876	3.4
97.06530	2.5
97.10166	7.2
98.22607	1.1
99.04461	1.1
99.08070	1.1
103.03977	0.9
105.07036	2.5
107.04939	1.9
107.08594	6.3
109.06542	1.3
109.10157	84.0
110.10499	2.0
111.04464	0.8
111.08102	3.6
117.07016	0.8
119.08573	7.9
121.10172	1.4
123.08074	1.4
125.09629	8.5
127.03923	0.7
129.05478	1.3
129.07079	0.8
131.08635	1.3
133.10147	1.7
135.11714	2.0
137.09608	4.1
143.10748	0.8
145.10172	1.9
147.11745	0.7
149.09619	1.1
153.12718	1.5
155.10675	8.0
163.11192	5.0
173.11742	26.4
173.13263	1.3
174.12033	0.7
181.12285	1.4
191.10687	2.2
193.12296	1.3
196.59679	0.7
199.13313	4.3
209.11688	4.4
211.13396	0.9
227.12804	4.5
229.14351	99.0
230.14771	2.2
257.13901	1.6
265.14392	0.8
267.15842	3.2
283.15448	3.1
301.16483	8.2
319.28336	0.7
353.23230	1.3
371.24252	3.8
383.24304	26.3
383.29361	1.3
384.24652	1.3
399.23819	11.0
421.26157	2.1
437.25409	1.7
439.26733	1.0
455.19684	1.5
455.26135	7.0
456.19592	1.1
464.30487	0.7
473.27487	2.6
536.28705	0.7
553.33710	22.2
554.34302	1.3
565.67224	0.8
732.39551	2.0
750.41040	24.1
751.42261	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	750.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.01856	1.0
55.05513	12.1
57.03439	9.8
57.07082	3.7
61.02918	1.0
65.03937	0.8
67.05508	15.3
69.03386	1.3
69.07071	16.1
71.04976	1.1
71.08630	3.2
71.59611	0.6
73.02881	0.6
79.05491	10.2
81.03422	50.8
81.07056	18.8
83.04962	2.5
83.08619	22.2
85.10159	0.9
87.04452	1.4
91.05488	9.5
93.07053	10.1
95.04974	15.3
95.08606	12.9
97.02876	1.9
97.06490	2.7
97.10172	8.4
98.23460	1.2
99.08072	0.8
105.07028	6.8
107.04928	2.8
107.08595	7.2
109.06488	1.8
109.10138	4.9
111.04440	1.1
111.08073	6.1
111.11709	2.6
112.97874	0.5
117.07071	0.8
119.04944	0.8
119.08581	6.6
121.06482	1.6
121.10149	11.4
123.04438	0.7
123.08092	0.7
123.11669	2.5
125.09587	1.0
125.13168	0.6
129.07021	5.1
131.08554	5.7
133.06503	1.2
133.10155	2.9
135.11702	7.0
137.09546	0.9
137.13229	2.2
139.11099	0.9
142.07774	1.7
145.10065	0.9
147.08038	1.9
147.11678	4.9
149.09581	2.4
149.13228	1.8
153.12727	0.9
157.10168	6.1
163.11147	0.9
163.14883	0.6
165.12766	1.0
175.11189	5.4
184.07307	1.2
189.71680	0.6
193.12231	17.5
211.13286	1.2
219.21126	1.7
237.22110	2.0
249.14813	1.7
259.13229	0.7
267.15912	100.0
268.16254	2.3
285.16791	0.6
301.14258	1.4
309.16885	1.8
311.25800	86.0
312.26181	3.0
429.33597	2.2
447.34360	0.7
503.37314	71.8
504.37326	3.7
521.38422	12.2
522.31592	0.8
545.38202	2.4
611.40015	1.0
629.41040	1.3
648.54303	0.7
750.44702	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	750.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58451	0.5
53.03916	1.9
55.01850	1.6
55.05511	15.1
57.03440	11.6
57.07077	5.5
61.02901	1.1
67.05505	18.6
69.03387	1.9
69.07071	20.6
71.04955	1.8
71.08598	2.6
71.18549	0.7
79.05495	10.3
81.03418	55.4
81.07059	20.7
82.07319	0.9
83.04980	3.6
83.08624	21.9
85.02864	1.8
85.06534	1.0
85.10170	1.2
87.04434	1.1
91.04958	0.6
91.05481	10.3
93.07047	11.5
95.04970	16.2
95.08608	15.0
97.02855	2.4
97.06525	2.8
97.09603	0.6
97.10168	8.9
99.08031	1.6
105.06464	0.6
105.07034	7.5
107.04974	3.9
107.08589	6.5
109.06478	2.1
109.10166	4.7
111.04431	0.9
111.08082	5.4
111.11687	2.1
115.05466	0.8
117.06999	1.2
119.08584	8.8
121.06450	1.7
121.09267	0.8
121.10147	12.6
123.04353	0.9
123.08076	0.8
123.11702	3.0
125.09605	1.6
129.06998	5.4
131.08578	5.4
133.06502	1.3
133.10118	2.9
135.11688	7.9
137.05943	0.7
137.09547	1.3
137.13243	1.7
139.11182	0.9
142.07735	1.4
145.10098	1.2
147.08022	1.2
147.11691	4.9
149.09660	3.2
149.13208	2.6
157.10135	6.8
163.11113	1.4
163.14767	1.0
164.90547	0.6
165.12764	1.1
169.37244	0.6
175.11159	6.9
187.07458	0.7
193.12248	17.5
211.13239	0.9
219.21179	1.2
235.13359	1.3
237.22110	2.4
249.14922	1.4
259.13300	0.8
267.15918	100.0
268.16177	3.3
273.14978	0.7
309.16925	0.7
311.25793	84.0
312.26212	3.1
355.52097	0.7
429.33698	2.1
447.34488	0.8
467.71777	0.6
470.21252	0.7
503.37323	75.1
504.37628	4.6
521.38428	11.9
522.38257	0.8
545.38464	3.4
553.40289	0.7
587.39441	0.7
599.39417	0.8
611.38879	1.0
629.40363	1.2
647.85693	0.6
750.44727	19.8
751.45709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55642	0.2
56.85416	0.2
70.06586	0.5
73.56915	0.2
83.04802	0.2
85.02942	0.3
91.05476	0.3
94.83146	0.2
98.22681	0.4
117.03372	0.2
119.04965	0.5
122.03829	0.2
131.04959	0.6
137.05934	0.3
145.02831	1.1
147.04404	1.3
149.06059	0.2
172.04938	1.5
175.03676	3.4
177.05530	1.7
185.04247	0.5
185.05804	0.4
201.05247	0.5
202.06129	0.5
215.03192	0.3
216.03914	1.6
217.04857	0.3
325.09836	0.3
351.10602	0.3
364.21359	0.7
365.12076	4.2
365.16281	0.4
366.12662	0.2
395.11169	0.3
399.33585	0.2
418.22342	0.3
493.87460	0.3
557.16370	1.0
589.16809	2.9
635.79901	0.3
751.22028	100.0
752.22382	7.9
752.33429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
67.05502	0.7
69.03424	1.2
70.06587	2.2
71.04989	0.5
79.05482	0.8
80.05032	1.1
81.07052	0.7
82.06606	0.4
84.08129	1.1
91.05480	0.6
93.07047	0.6
94.06547	0.7
95.04974	0.3
95.08636	0.3
96.08125	0.9
103.25303	0.2
105.07024	0.9
107.08582	0.3
108.08118	0.5
109.06544	0.3
109.08907	0.2
110.09674	0.7
111.08042	0.2
117.07048	0.4
119.08562	0.6
120.08094	0.3
121.06499	0.4
122.09642	1.9
125.05959	0.3
127.03905	0.2
131.08537	0.3
133.10130	0.2
134.09657	0.7
135.08008	0.4
136.11195	1.2
137.06009	0.5
138.12741	0.4
139.07478	0.3
145.10144	0.4
147.08064	0.3
149.05984	0.3
150.09164	1.8
151.03879	0.2
153.05478	0.3
155.03394	0.5
157.10139	0.2
159.07999	0.3
160.11105	0.2
161.09641	0.4
162.12817	0.9
164.14372	0.7
165.05441	0.3
165.09247	0.3
166.12325	0.2
167.07016	0.5
168.10184	1.5
169.10110	0.2
171.07971	0.3
173.09694	0.3
175.11079	0.3
181.08708	0.4
182.11772	1.8
184.13277	1.3
185.12000	0.2
187.07654	0.2
189.09085	0.7
194.11790	0.2
201.09160	0.2
205.08557	0.2
216.13866	0.2
220.13306	0.3
236.16457	2.7
246.14917	2.8
247.09718	1.2
249.11238	0.8
262.17972	0.3
264.19614	0.5
276.16052	0.5
292.19159	0.5
302.17365	0.3
318.17078	0.7
320.18567	7.3
344.18582	4.9
345.19070	0.3
360.17941	0.8
390.19174	0.3
403.19675	0.3
403.99731	0.3
416.20819	0.5
417.21011	0.3
418.22226	100.0
419.17050	0.4
419.22473	3.9
427.18954	0.3
597.97192	0.3
698.63818	0.3
716.78595	0.2
751.24823	0.5
751.37347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
57.03445	3.3
57.07077	3.2
61.02927	8.4
67.05505	4.8
68.23048	0.8
69.03431	4.4
69.07079	5.1
69.43984	2.1
69.44382	1.5
71.08636	2.6
73.02923	5.0
77.42269	1.0
79.05515	2.8
81.03419	8.3
81.07059	6.9
83.04980	1.4
83.08632	4.2
85.02910	9.1
85.10181	1.1
91.03948	5.9
91.05506	2.4
93.07056	1.8
95.04975	3.4
95.08584	4.1
97.02912	6.2
97.10180	1.4
99.04488	1.5
101.02409	2.4
105.07070	1.7
107.04957	0.8
109.02934	0.9
109.10214	2.0
111.04482	1.2
111.08120	2.1
119.08619	2.4
121.10155	1.9
127.03924	2.2
128.36713	0.9
129.07021	1.4
131.08649	1.6
131.66565	0.9
133.14992	0.8
135.11755	1.6
147.11719	1.6
148.78056	0.9
151.22005	1.0
157.10106	1.6
159.76567	0.8
184.07404	1.9
184.80234	0.9
193.12320	3.7
211.13318	1.6
219.66689	0.8
243.08551	3.2
251.09796	0.8
251.12730	2.0
267.16080	2.1
273.08536	1.0
307.15234	1.2
313.27554	4.4
339.29077	1.1
452.10291	0.9
469.20364	11.0
470.21191	1.0
505.39291	2.3
523.32385	6.2
751.46136	100.0
752.46851	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	752.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01868	5.4
55.05514	14.0
55.75982	1.5
57.03441	3.1
57.07079	3.0
61.02930	3.7
65.03924	3.4
67.05508	25.6
68.99797	1.9
69.03439	18.0
69.07072	19.7
69.16769	5.0
69.17168	2.8
70.06601	3.2
71.04989	3.7
79.05499	16.7
80.78024	1.4
81.03429	16.1
81.07063	55.2
83.04969	6.6
83.08608	11.4
85.02907	36.2
85.06545	15.0
87.00835	15.6
91.05482	30.8
93.07050	80.8
95.04961	9.7
95.08610	56.3
95.09219	3.2
97.02895	18.9
97.06533	5.2
97.10155	4.3
99.04475	9.3
103.05457	1.6
105.01870	15.6
105.04539	3.7
105.07032	68.2
107.04936	1.9
107.08598	53.6
109.02890	17.9
109.06526	3.7
109.10162	76.3
111.08083	9.5
111.11691	2.0
115.03961	2.9
117.07024	3.6
119.04938	2.2
119.08591	67.2
120.08096	4.0
121.06493	3.1
121.10152	61.4
123.08042	1.8
123.11707	17.9
125.05984	4.7
125.09675	3.3
127.03912	28.8
129.01834	2.0
131.08577	4.6
132.09279	1.5
133.04977	1.8
133.06506	1.5
133.10139	39.7
135.08040	3.3
135.11700	45.0
137.06017	2.5
139.11169	2.2
143.07076	1.9
143.08502	1.7
145.04938	12.4
145.10126	12.5
147.02794	1.6
147.08078	1.9
147.11688	68.8
148.12115	1.7
149.05917	1.7
149.09642	1.6
149.13303	4.3
157.10139	1.4
159.02957	6.9
159.07994	2.1
159.11679	6.9
160.07260	1.3
161.09741	1.5
161.13261	23.1
163.07620	1.6
163.11208	3.4
163.14870	2.6
165.06779	1.5
165.12796	3.8
167.07062	1.8
169.10185	1.6
173.09616	5.9
173.13310	2.3
175.14816	19.8
177.12753	2.2
177.16423	2.2
179.70184	1.4
187.11194	4.6
191.10632	2.2
201.16440	2.2
203.17955	100.0
204.18265	3.4
205.12209	4.2
211.07533	3.2
215.10672	2.3
219.17409	2.5
220.20680	1.7
221.18983	12.3
231.05008	12.2
233.11723	3.9
249.06076	3.5
251.12816	2.9
277.09161	2.0
311.19934	2.1
344.34296	1.4
351.14258	2.0
377.15863	1.9
388.21402	1.9
395.17010	1.6
537.43481	1.6
627.90607	1.5
659.25439	2.1
723.47064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01870	0.7
55.05513	4.4
57.03443	1.0
57.07082	0.5
61.02939	1.1
65.03947	0.5
65.49184	0.2
67.05500	1.5
69.03427	3.8
69.07070	10.3
69.45299	0.9
69.45724	0.4
71.04991	0.7
73.02915	0.8
73.25286	0.2
75.37115	0.2
77.03950	0.3
78.19099	0.2
79.05483	1.8
81.03422	3.5
81.07057	4.7
83.04971	0.6
83.08621	3.6
85.02906	12.9
87.00835	2.2
87.04465	2.4
91.03966	0.6
91.05482	8.5
93.07044	3.3
95.04966	1.0
95.08609	5.8
97.02899	5.7
97.06549	0.3
98.22680	0.5
99.04464	1.4
103.03962	0.3
103.05465	0.9
104.06241	0.6
105.01871	3.7
105.04512	0.4
105.07033	17.3
107.08598	9.4
108.08904	0.3
109.02882	2.8
109.10156	1.6
115.03934	11.9
115.05450	0.5
117.07026	2.9
119.08583	72.2
120.08855	1.1
121.10149	4.5
123.11665	0.3
125.05973	0.2
127.03923	8.3
131.08604	1.8
133.04970	6.2
133.10130	27.6
134.10422	0.3
135.11685	0.9
137.06020	0.3
137.09627	0.3
145.04965	7.3
145.10149	2.1
146.10948	0.4
147.11693	4.3
159.02867	0.6
159.11685	0.5
160.12459	0.8
161.13242	0.3
163.06018	1.6
163.11176	0.4
173.09627	0.4
173.13255	1.0
175.14821	100.0
176.15150	2.6
177.16435	0.4
193.15848	0.9
215.10693	0.3
231.05045	1.8
233.11670	0.5
249.06104	1.3
251.12769	0.6
259.08145	1.4
277.09177	11.6
278.09747	0.2
282.55746	0.3
302.71542	0.2
677.00269	0.3
686.27081	0.3
696.54584	0.3
752.33710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
53.74171	1.0
55.01870	5.4
55.05510	12.2
57.03439	2.6
57.07075	2.8
60.41212	1.0
61.02929	1.9
65.03926	1.7
67.05161	2.1
67.05507	30.8
68.99814	1.5
69.03438	13.8
69.07071	16.9
69.36449	5.3
71.04987	3.7
73.02916	2.0
77.03938	2.9
78.88333	1.0
79.05490	16.4
81.03423	16.2
81.07061	48.6
83.04971	3.2
83.08629	11.3
85.02913	36.1
85.06548	10.1
85.10189	1.4
87.00837	15.3
91.04940	2.2
91.05482	26.6
93.07050	76.2
95.04981	7.4
95.08610	53.5
95.09220	2.5
97.02902	15.8
97.06524	1.9
97.10159	2.8
99.04459	6.4
103.05444	1.4
105.01866	14.3
105.04525	3.1
105.07036	67.4
107.08599	53.8
109.02884	14.5
109.06528	3.7
109.10162	74.7
110.10461	1.5
111.08087	9.1
111.11712	1.4
115.03928	4.2
117.01866	1.8
117.07021	4.4
118.68821	1.2
119.06130	1.9
119.08583	66.4
120.08120	1.5
120.08939	1.5
121.10153	38.8
123.08100	1.5
123.11720	17.5
125.09635	3.1
127.03919	25.4
129.01852	2.2
129.07022	1.7
131.08574	4.2
133.10139	38.5
135.11702	46.3
137.05942	1.9
137.09608	2.1
137.13206	1.8
139.11211	2.1
143.07019	1.3
145.04959	11.6
145.10146	6.9
147.02890	1.5
147.11688	63.2
148.12183	1.6
149.13309	3.1
157.10188	1.6
159.02896	7.3
159.11662	4.2
161.13263	19.5
163.14781	2.7
165.12740	4.0
172.71545	1.4
173.09689	1.4
173.13278	2.0
175.14828	28.0
176.15213	1.4
176.63742	1.2
177.16325	2.1
187.11168	2.4
189.04066	1.2
201.16374	1.7
203.17960	100.0
204.18297	4.1
205.08549	1.2
205.12294	1.8
213.03998	2.3
215.10847	1.5
215.18161	1.7
219.17580	1.2
220.20766	1.4
221.19046	11.1
231.05006	8.7
233.11662	1.4
249.06102	2.8
277.09171	2.5
311.20212	1.5
388.21115	1.8
451.23312	2.4
700.74359	1.4
716.98407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01870	0.9
55.05514	6.2
57.03440	1.0
57.07095	0.5
61.02928	1.1
65.03965	0.4
67.05501	2.4
69.03429	5.3
69.07070	9.7
71.05015	0.7
71.46790	0.3
73.02924	1.2
77.03923	0.3
79.05498	2.9
81.03419	3.8
81.07063	5.8
83.04991	0.7
83.08611	3.2
85.02908	16.2
86.03236	0.3
87.00836	2.6
87.04465	2.7
91.03963	0.6
91.05480	9.7
93.07050	4.4
95.04980	0.8
95.08614	7.9
97.02895	6.6
97.06556	0.5
99.04456	1.3
103.05460	1.2
104.06266	0.6
105.01871	4.9
105.07030	17.8
106.07416	0.5
107.08597	11.2
109.02877	3.7
109.06534	0.4
109.10168	3.2
111.22049	0.3
115.03933	12.0
117.07027	3.7
118.55038	0.3
119.08582	70.1
120.08927	1.2
121.06522	0.4
121.10149	4.0
127.03911	10.6
128.04272	0.3
131.08568	1.7
133.04977	8.0
133.10130	26.4
134.10489	0.7
135.11694	1.5
137.06032	0.4
137.09610	0.4
145.04959	9.5
145.10127	2.0
146.10854	0.5
147.11688	4.6
154.08603	0.6
157.04942	0.4
159.11707	0.6
160.12518	0.6
161.13249	0.8
163.05977	1.6
173.09705	0.5
173.13274	0.7
175.14822	100.0
176.15178	2.4
177.16335	0.5
181.80438	0.3
187.11186	0.5
193.15898	1.3
203.17914	0.8
208.48634	0.3
213.03865	0.4
215.10657	0.7
231.04973	3.2
233.11768	0.5
249.06032	2.4
259.08099	2.5
277.09164	12.0
278.09320	0.4
301.08929	0.3
301.17545	0.4
388.21045	0.3
499.00986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01874	1.0
55.05516	4.6
57.03437	0.5
57.07073	0.4
60.47666	0.2
61.02913	0.7
65.03944	0.4
67.05512	1.3
68.99774	0.3
69.03432	3.3
69.07069	9.1
71.04986	0.5
71.44819	0.2
73.02907	0.6
77.03908	0.4
79.05498	1.9
80.52623	0.2
81.03421	2.5
81.07059	5.2
83.08627	2.9
85.02911	8.1
87.00835	3.7
87.04478	0.5
89.16068	0.3
91.05482	5.5
93.07055	2.8
95.04969	0.3
95.08614	5.2
97.02900	3.0
99.04455	0.8
99.08072	0.2
102.06959	0.2
103.05491	0.7
104.06273	0.2
105.01877	5.9
105.07037	15.3
107.08601	9.3
107.09344	0.4
109.02890	2.1
109.06491	0.3
109.10184	1.3
115.03941	2.7
117.01830	0.2
117.07016	2.3
119.08586	57.7
120.08852	1.1
121.06559	0.2
121.10155	4.1
123.08074	0.3
123.11703	0.5
127.03928	4.9
129.01839	0.3
131.08540	1.3
133.04987	0.9
133.10133	27.4
134.10472	0.4
135.11694	3.5
145.04967	3.1
145.10081	1.3
146.10902	0.3
147.11693	3.9
157.10162	0.4
159.02914	1.0
159.11679	0.4
160.12488	0.9
161.13232	0.5
173.13266	0.9
175.14827	100.0
176.15181	2.6
177.09157	0.3
177.16432	1.1
187.14743	0.3
189.03767	0.2
193.15875	3.3
199.14749	0.3
217.15877	0.5
231.05048	1.7
231.13947	0.4
249.06062	2.4
259.08041	0.4
273.83206	0.2
277.09177	1.4
283.17059	0.4
301.09357	0.3
301.18005	0.3
319.10034	0.5
335.14838	0.4
364.21112	1.0
365.21463	0.8
387.18219	0.2
405.19257	0.3
421.98520	0.3
423.19901	0.5
573.62787	0.2
718.44482	0.2
751.99133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01872	4.0
55.05518	12.2
57.03189	1.0
57.03442	13.5
57.07053	1.6
63.47816	1.2
65.03944	2.6
67.05505	26.3
69.03430	4.4
69.07072	12.9
71.05003	3.8
79.05498	25.0
81.03420	100.0
81.07057	29.6
82.03748	1.6
83.04984	10.1
83.08621	16.2
85.02902	11.7
85.06551	3.3
90.14150	1.1
91.05486	34.7
93.07046	26.9
95.04973	26.5
95.08611	16.0
97.02890	3.9
97.06538	5.3
97.10157	3.9
99.08115	1.5
105.04517	1.5
105.07036	21.9
107.04964	10.6
107.08599	12.7
109.02926	1.3
109.06509	5.8
109.10146	8.2
111.04467	2.1
111.08107	9.6
113.05981	2.5
115.05482	1.5
117.07041	5.4
119.04935	1.5
119.08588	19.8
119.34043	1.1
121.06516	13.2
121.10128	10.5
123.08077	5.6
123.11684	1.8
125.06017	1.2
125.09650	2.4
129.07005	11.4
131.04886	1.6
131.08571	13.3
133.02899	1.5
133.06497	3.6
133.10155	12.9
135.08072	4.9
135.11713	4.4
137.05980	1.3
137.09636	3.4
142.07759	2.9
142.12326	1.7
143.08571	4.3
145.06480	5.8
145.10097	4.7
147.08025	3.2
147.11682	9.7
149.09602	5.4
149.13115	1.1
153.05518	1.2
153.12766	1.2
157.10144	13.1
159.08020	2.1
159.11697	3.7
161.09576	2.0
161.13293	1.3
163.11220	2.0
165.12747	2.1
171.08063	1.3
171.11725	1.7
173.09665	1.7
175.11180	9.4
175.14796	4.7
185.13292	6.7
189.09380	1.4
193.12234	26.8
193.15874	2.8
197.09845	1.3
203.14311	2.8
211.13223	10.5
221.15369	26.0
227.12611	1.2
229.14388	1.9
233.15407	1.2
239.16391	9.6
267.15906	76.1
268.16220	1.9
273.18735	1.1
277.18060	1.6
285.16986	10.9
295.19055	45.0
313.16684	1.8
313.20062	8.8
365.23022	1.8
367.22629	1.3
377.24686	3.2
395.25772	8.0
413.26819	11.0
431.28131	2.4
443.27988	1.1
459.27322	6.2
461.29123	13.6
469.29364	6.1
487.30560	81.9
488.30905	3.5
505.31763	53.0
506.31693	1.9
537.33954	1.3
613.33478	1.2
631.33429	1.3
649.35461	1.3
689.04993	1.2
731.96039	1.1
752.37701	2.1
753.36401	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	752.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01875	3.0
55.05513	43.3
57.03440	16.8
57.07081	6.1
59.04998	3.2
61.02927	3.4
61.54021	1.1
67.05508	64.1
69.03431	2.6
69.06711	1.9
69.07069	28.8
69.19196	1.3
71.01345	1.3
71.04981	3.2
71.08620	2.6
73.02907	1.7
79.05493	20.7
81.03417	4.5
81.07056	38.8
83.04973	4.2
83.08618	26.7
85.02914	13.9
85.06527	3.2
85.46279	1.1
86.09698	4.1
87.04472	8.2
87.10030	1.2
91.03956	2.3
91.05505	8.7
92.69092	1.1
93.07058	18.1
95.04954	3.9
95.08611	25.4
96.08942	1.3
97.02895	3.5
97.06541	5.1
97.10170	29.7
99.08083	3.4
103.03937	1.7
105.07018	4.1
107.04961	2.1
107.08592	16.3
108.92776	1.3
109.06487	2.6
109.10160	38.3
111.04447	2.3
111.08071	4.2
111.11733	2.7
117.07018	2.3
119.08579	4.3
121.06502	1.6
121.10141	13.3
123.08085	1.9
123.11699	4.1
125.00013	2.8
125.09631	19.6
131.08624	1.4
133.10114	3.5
135.08076	1.4
135.11682	10.0
137.09596	2.1
137.13274	2.6
139.11189	1.6
139.86726	1.4
143.08604	1.6
143.10698	4.0
145.10133	2.6
147.11687	1.4
149.13272	4.1
151.11227	1.4
153.12758	1.8
155.10672	2.5
163.11156	3.4
173.11711	11.8
176.44977	1.2
179.51012	1.2
180.08803	1.3
181.12285	1.7
184.07326	14.6
185.07678	2.3
186.07759	1.9
199.13284	11.9
209.11809	2.5
217.14244	2.2
219.21075	2.9
227.12749	6.0
229.14345	53.3
231.10095	1.3
237.22168	4.6
245.13953	2.1
257.13934	1.6
267.15875	5.7
273.18533	2.8
283.15381	4.2
289.63580	1.3
294.14133	1.3
301.16476	23.5
311.25797	100.0
312.26077	3.3
339.25281	2.4
435.34564	4.0
453.35764	11.9
465.35773	25.8
466.36322	1.7
483.01117	1.6
501.35922	1.3
519.36945	2.7
537.37854	10.0
555.39185	1.6
573.33984	2.3
752.42346	2.1
755.88391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01866	0.8
55.05508	4.9
57.03437	11.4
57.07075	23.3
64.64970	0.3
65.03931	0.6
67.05501	10.5
69.03428	1.3
69.07071	5.8
71.04975	0.9
71.08631	18.2
79.05491	4.9
81.03413	47.1
81.06560	0.5
81.07053	13.7
83.04971	1.9
83.08616	16.7
85.02893	0.6
85.06533	0.7
85.10180	10.9
85.10698	0.6
89.06019	1.3
91.05479	8.2
93.07052	3.9
94.11530	0.3
95.04348	0.7
95.04963	13.8
95.08601	13.9
97.02905	1.6
97.06494	1.0
97.10162	4.1
98.22707	1.0
99.08096	0.4
99.11731	1.0
103.07586	0.6
105.07028	4.9
107.04951	3.4
107.08596	1.8
109.06540	1.6
109.10152	7.0
111.04458	1.1
111.08084	4.3
111.11701	0.7
115.05460	0.7
117.07013	0.9
117.09186	0.3
119.04935	0.6
119.08582	6.1
121.06539	1.5
121.10138	3.0
123.04459	0.7
123.08073	1.0
123.11700	2.6
125.09629	0.8
129.06993	5.0
131.08569	5.0
133.06516	1.7
133.10149	3.4
135.08096	0.4
135.11671	0.6
137.06017	0.4
137.09604	1.0
137.13245	1.3
142.07787	0.8
145.10109	0.8
147.04430	0.4
147.08049	2.3
147.11687	5.2
149.09618	3.2
149.13242	0.3
157.10117	7.2
163.11182	0.6
165.12773	1.5
175.11182	7.2
183.41806	0.3
184.07419	0.4
185.13229	0.4
189.12846	0.3
193.12236	23.1
194.12604	0.6
205.12282	0.5
211.13196	1.5
223.13287	0.6
228.56342	0.4
235.13298	0.9
239.23676	1.6
249.14801	1.7
257.24765	1.7
259.13348	0.9
267.15894	100.0
268.16257	3.8
273.14841	0.7
301.14441	1.3
309.17102	1.5
313.27344	92.2
314.27649	3.9
319.15384	0.5
333.17017	0.3
505.38840	75.7
506.39215	6.0
523.39899	1.3
547.40179	2.6
589.41010	0.4
601.40875	1.3
611.40442	0.4
613.40662	1.0
631.41821	1.0
649.42596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	1.0
55.05513	7.2
57.03438	12.8
57.07076	29.9
59.04967	0.5
61.02924	0.9
65.03939	0.8
67.05505	14.9
69.03419	1.8
69.07063	6.5
69.73025	0.4
69.74898	1.0
69.75258	0.9
71.04990	1.5
71.08630	20.6
79.05492	7.2
80.75007	0.4
81.03416	59.9
81.07054	14.2
81.07447	0.3
82.03756	0.7
83.04970	3.1
83.08619	20.2
85.02913	1.4
85.06525	1.0
85.10181	12.3
89.06012	1.4
91.05481	10.5
93.07043	5.5
95.04966	16.9
95.08604	16.5
96.08965	0.5
97.02901	1.4
97.06542	1.1
97.10165	5.4
98.23404	0.7
99.08071	0.5
99.11749	0.9
103.07581	1.4
105.07029	7.0
107.04938	4.1
107.08583	2.6
109.06505	1.9
109.10160	7.2
111.04480	1.2
111.08077	4.7
111.11708	0.5
115.05441	0.7
117.07005	1.3
117.09135	0.5
119.08575	7.6
121.06489	1.8
121.10139	4.0
123.04416	0.7
123.08054	1.3
123.11706	3.0
125.09626	1.0
129.07004	5.9
131.08551	4.7
133.06488	2.0
133.10136	2.4
137.09648	1.0
137.13242	1.3
142.07758	1.2
145.10104	0.9
147.08046	1.7
147.11671	4.5
149.09593	3.4
155.08449	0.6
157.10114	6.5
163.11136	1.3
165.12744	1.3
175.11197	6.9
193.12238	23.1
194.12607	0.7
211.13307	1.6
213.39769	0.4
223.13205	0.7
235.13281	1.0
239.23695	1.7
249.14865	1.7
257.24750	2.4
259.13324	0.9
267.15900	100.0
268.16187	3.5
301.14392	1.2
309.16684	0.8
313.27353	86.5
314.27670	4.2
374.16071	0.4
375.17960	0.8
505.38864	75.9
506.39133	6.1
523.39880	1.8
534.62384	0.5
547.39856	2.4
601.40485	1.3
631.41718	1.1
752.45825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
56.96568	0.5
57.07077	61.9
58.07400	0.9
59.04994	1.7
64.93109	0.4
67.05529	0.7
69.03423	0.9
69.07079	1.3
71.04970	0.5
71.08644	1.1
73.02903	0.9
73.06541	3.3
77.03935	0.5
79.05502	1.2
81.07067	1.1
83.04999	0.5
83.08595	0.6
87.04472	27.4
89.06033	100.0
90.06326	0.6
91.05476	7.3
91.07593	0.9
93.07049	5.7
95.04959	3.3
95.08619	0.6
98.97590	1.1
103.05453	2.4
105.04514	1.4
105.07037	2.8
107.04980	1.4
107.07068	2.2
107.08591	2.5
109.06527	0.8
112.99152	0.4
113.06047	0.7
113.13293	1.4
115.05474	0.6
115.07628	0.5
117.07015	1.9
117.09144	1.8
118.07797	5.5
119.04932	3.6
119.08588	6.2
121.06506	22.3
121.10155	1.3
123.08096	1.5
123.11695	0.5
128.52155	0.3
128.98505	0.4
129.07040	0.5
130.08611	2.2
130.49907	0.4
131.00192	0.8
131.07043	12.1
131.08549	0.5
133.08607	66.4
134.08914	1.0
135.08049	4.1
135.10167	0.6
135.11716	2.0
142.45630	0.3
145.06514	0.6
147.08051	12.6
147.11700	0.5
149.09604	5.0
149.13300	0.9
150.06757	4.0
150.07603	0.4
152.27130	0.4
158.99643	1.0
159.10500	0.4
159.11670	2.1
161.11761	0.8
163.07632	0.7
163.11169	3.2
165.09113	8.0
165.10402	0.6
167.10667	1.9
170.99702	0.9
173.09549	1.0
173.93343	0.3
175.09683	8.9
175.11139	0.8
177.00761	0.4
177.11235	28.2
177.12698	2.1
177.74242	0.4
189.00691	1.0
191.10632	4.1
193.12306	1.9
199.11650	0.4
207.10258	0.5
207.13950	0.5
209.11740	3.7
211.13297	2.8
217.16972	0.5
219.01799	0.5
219.12241	2.4
221.13849	5.6
223.15291	0.5
233.19005	20.4
234.19324	0.6
235.13309	3.8
237.15149	0.4
239.14923	1.1
247.20638	0.7
253.14336	0.9
255.15932	2.6
259.20557	4.0
261.02853	0.6
265.16483	1.6
270.03012	0.4
275.20142	1.2
275.23743	1.1
277.21625	28.0
278.21979	1.1
279.03986	0.7
279.15891	2.1
283.17560	2.6
293.05463	0.9
297.17072	0.7
299.18600	0.9
303.23294	3.0
309.18994	1.9
319.22791	0.8
321.05008	2.8
321.24240	8.5
322.24612	0.5
323.18668	0.8
327.20145	1.3
331.21756	0.4
343.21313	0.7
353.21881	1.5
363.25296	0.5
371.22931	0.5
397.24490	1.1
403.23599	0.6
441.27075	0.7
455.10983	0.6
515.35583	0.6
526.72400	0.4
623.36584	2.3
691.46075	0.7
693.33899	1.3
735.48834	10.9
736.49152	1.3
752.51733	15.4
753.51776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43050	1.6
69.43462	2.5
85.46869	0.9
101.00944	0.9
124.45075	0.8
185.04190	3.9
227.05386	1.3
237.05298	0.8
483.14310	1.0
505.27631	3.7
547.28760	17.0
591.27606	11.0
642.90814	0.9
667.33301	1.9
709.34088	9.8
753.32996	100.0
754.33252	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	753.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37240	0.4
56.95797	0.3
58.06574	0.3
65.03926	0.3
67.05486	1.7
69.03429	5.6
69.87176	1.1
70.06592	7.8
71.04939	0.5
77.65411	0.3
79.05491	0.8
80.04984	0.5
81.07027	0.5
82.06554	0.7
83.01318	0.5
83.07342	0.6
84.08140	9.6
85.56925	0.3
86.09677	0.7
89.56832	0.3
91.05461	0.8
93.07002	0.6
94.06527	0.9
95.04936	0.4
95.08577	0.5
96.08141	2.3
97.06502	0.5
97.08902	0.5
98.06004	0.3
98.22737	0.4
101.05978	0.3
105.07024	0.8
107.08578	0.5
108.08084	0.8
109.08865	0.4
110.09686	1.8
117.06944	0.6
119.08527	0.5
120.08089	0.6
121.06523	0.7
122.09608	1.2
123.08060	0.5
127.03874	0.8
129.10216	0.4
131.08542	0.5
133.06461	0.4
133.10095	0.6
134.09612	1.1
135.08012	0.7
136.11229	2.1
137.05951	0.4
138.09091	0.8
138.12759	0.4
141.05461	0.4
143.08557	0.7
145.10072	0.4
148.11115	0.9
149.05936	0.7
150.09090	0.9
155.06999	0.5
159.08044	0.5
160.08809	0.4
160.11209	0.4
161.05891	0.4
161.09561	0.7
162.12753	1.1
163.07486	0.6
164.14371	0.6
165.05421	0.5
165.09071	0.6
167.07050	0.5
171.07964	0.5
173.09694	0.4
175.07617	0.4
179.06985	0.5
181.08551	1.2
182.11763	1.7
183.06540	0.7
184.13312	5.2
189.09026	1.2
191.07033	0.5
196.13321	0.5
202.12091	0.4
216.07700	0.4
216.13808	0.4
217.08588	0.5
219.06470	0.6
220.13336	0.5
221.08083	0.5
231.10170	0.4
234.08879	0.7
236.16441	2.7
246.14873	3.7
247.07233	0.7
247.09637	8.0
249.11224	9.4
260.12814	1.4
262.18079	0.4
264.19540	1.1
284.12918	0.4
302.17395	0.4
303.14529	2.0
318.16983	51.4
319.17346	1.7
320.18567	8.1
344.18594	7.4
360.18085	1.5
392.60437	0.4
400.21201	0.9
403.19876	1.0
418.22223	21.4
419.22528	1.2
434.22058	0.8
436.23297	100.0
437.23645	5.0
495.22534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
59.32845	0.2
67.05503	0.7
69.03423	1.2
70.06580	0.5
70.13674	0.2
71.04967	0.5
79.05492	0.3
80.04997	0.4
81.07052	0.5
82.06587	0.3
84.08141	0.8
85.06544	1.4
86.06064	1.1
91.05480	0.4
93.07037	0.6
94.06552	0.5
95.04985	0.6
97.06524	0.4
97.70823	0.3
98.06038	0.5
99.04432	0.5
105.07015	0.7
107.08575	0.3
108.08105	0.5
111.08077	1.7
114.14933	0.3
115.04048	0.2
119.08585	0.5
120.08125	0.6
121.06460	0.4
122.09689	1.7
123.04439	0.3
123.10438	0.3
124.11202	0.3
125.05997	0.7
125.09641	0.3
127.03921	0.7
131.08580	0.4
133.10153	0.3
134.09665	0.6
136.11205	1.2
137.06000	0.3
137.11952	0.3
139.07465	0.3
147.08072	0.4
147.11729	0.3
149.09689	0.3
150.09171	1.3
151.07605	0.4
152.10725	2.5
153.05482	0.4
155.03430	0.4
155.07065	1.0
160.11246	0.7
161.09610	0.4
164.10855	0.3
164.14378	0.4
165.05489	1.3
168.10222	1.1
176.10774	0.4
178.12302	0.8
181.08630	0.5
182.11781	1.5
183.06512	4.8
184.89162	0.3
197.08156	0.5
222.14850	0.4
234.14821	0.6
278.17468	0.4
290.17456	0.4
318.16983	2.0
319.17612	0.6
320.18539	4.2
334.16562	3.9
334.20236	0.5
336.18015	2.2
340.19006	0.4
342.16983	0.8
360.18127	1.4
370.20358	0.3
388.20972	0.7
398.19733	0.3
416.20715	6.7
417.21381	0.4
420.20349	0.8
434.21747	100.0
435.22031	4.5
469.10498	0.3
585.46899	0.3
670.24304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62785	0.2
55.01860	0.2
59.04997	0.2
67.05506	0.5
68.05016	0.2
69.03435	1.9
69.31097	0.9
69.46774	0.2
70.06588	2.0
71.04968	0.7
71.68019	0.2
80.05001	0.3
81.03407	0.4
81.07047	0.5
82.06580	0.9
82.09740	0.2
83.01333	0.6
83.04951	0.2
83.07341	0.4
84.08142	7.8
86.06042	0.3
91.05459	0.6
93.07018	0.4
95.04951	0.3
95.08562	0.7
96.08161	0.9
97.06513	0.2
97.08879	0.3
98.22685	0.3
99.04401	0.3
105.07013	0.3
105.31999	0.2
106.06454	0.2
107.08534	0.2
108.02525	0.2
108.08095	0.5
109.06443	0.3
110.09674	1.5
111.08069	0.2
117.03339	0.4
119.04907	0.7
119.08587	0.2
120.08072	0.8
121.06471	0.4
122.09681	1.6
123.10458	0.3
125.05939	0.3
130.20874	0.2
130.40868	0.2
131.08548	0.5
133.06500	0.2
133.10121	0.2
134.09631	0.8
135.10370	0.4
136.11221	2.8
137.11971	0.3
138.09142	0.6
143.08534	0.3
145.02849	2.1
147.04424	0.6
148.11221	0.3
149.05975	1.5
150.09073	0.3
152.10631	0.3
159.08043	0.4
160.11203	0.3
161.09599	0.8
162.12732	0.8
163.13594	0.3
164.14362	4.4
167.07005	0.5
171.08078	0.4
173.09569	0.2
175.03857	0.8
175.13565	0.2
176.08353	0.4
176.14268	0.3
177.05479	3.5
179.07014	0.6
181.08534	0.2
182.11769	2.1
183.06619	0.2
184.09756	0.3
187.07524	0.4
189.09067	1.1
190.12286	0.6
191.10748	0.5
203.10568	0.2
204.07790	0.4
207.06531	2.6
219.10126	0.5
220.13347	0.9
221.11740	0.5
230.78571	0.2
234.09081	0.2
234.14868	2.6
247.09654	37.6
248.10168	1.0
249.11221	3.6
250.14447	0.3
260.12845	0.7
260.16672	0.4
262.14832	0.4
262.18002	3.5
265.76016	0.2
274.17975	0.4
276.15988	1.1
290.17389	0.5
303.14828	1.1
318.16989	78.8
319.17416	3.6
320.18512	1.8
336.18060	10.1
337.18350	0.5
374.19620	2.0
391.54547	0.2
402.19003	0.6
416.20645	3.2
417.21466	6.1
418.21976	0.7
434.21732	100.0
435.22046	4.6
741.62585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05514	0.4
67.05477	0.8
69.03407	1.0
69.62293	1.0
70.06242	0.4
70.06590	4.0
71.04957	0.8
79.05467	1.1
81.07050	0.6
82.06570	0.4
83.07339	0.4
84.08142	7.0
91.05463	1.1
93.07024	1.1
94.06567	0.5
95.04967	0.4
95.08595	0.7
96.08142	1.6
97.08884	0.6
98.06035	0.3
99.04408	0.7
103.05463	0.4
103.11069	0.3
105.07012	1.0
106.33871	0.3
107.04919	0.4
107.08579	0.9
108.08092	0.8
109.06467	0.3
109.08882	0.3
110.09674	1.3
117.07021	0.4
119.04945	0.6
119.08536	0.5
120.08071	0.7
121.06548	0.5
122.09669	2.4
123.04413	0.2
124.11246	0.4
125.05971	0.9
127.03857	0.4
128.07065	0.3
131.04915	0.7
131.08549	0.4
132.08116	0.4
133.06418	0.3
134.09625	0.9
135.08017	0.6
135.10457	0.4
136.07600	0.3
136.11208	1.9
137.05940	0.6
137.11951	0.7
138.12766	2.2
141.05455	0.3
143.08615	0.3
145.06473	0.3
145.10115	0.5
149.06030	0.3
150.06416	0.3
150.09160	1.2
150.12798	0.3
153.05440	0.5
155.06947	0.3
161.06004	0.5
161.09563	0.5
162.12752	2.6
163.07471	0.5
164.14349	0.4
165.05602	0.3
166.15891	0.3
167.07053	0.3
168.10190	1.0
179.06996	0.3
180.10205	0.3
180.13831	0.5
182.11749	2.3
183.06577	0.4
184.13341	1.3
189.09158	0.3
192.13780	0.3
194.11821	0.3
217.08519	0.3
222.14856	3.3
234.14928	0.4
236.16440	13.3
237.16820	0.3
247.09683	1.8
262.18066	0.4
264.16092	0.3
276.19672	0.3
278.17087	0.3
302.13733	0.3
306.16882	1.7
310.11514	0.3
318.16974	0.4
320.18549	52.6
321.18866	1.4
328.12442	0.3
330.17017	1.0
331.61682	0.3
336.17981	0.8
360.18073	2.0
388.21228	0.4
399.23849	0.3
403.19803	0.5
404.20694	3.4
406.23633	0.3
416.20566	1.7
434.21713	100.0
435.22040	4.4
626.83160	0.3
643.62054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87786	0.1
55.01870	0.6
55.05507	0.2
57.03439	0.3
60.06214	0.1
67.05502	0.6
69.03426	1.1
70.06590	0.4
71.04990	0.5
79.05500	0.4
80.05019	0.4
80.09959	0.1
81.07053	0.5
82.06562	0.2
83.01351	0.3
83.07387	0.1
84.08154	0.8
85.06541	2.1
86.06064	1.1
91.04987	0.1
91.05475	0.8
93.07038	0.6
94.06557	0.5
95.04966	0.4
95.08608	0.3
96.08131	0.4
97.06535	0.4
98.06073	0.4
99.04450	0.6
105.07022	0.8
106.06531	0.2
107.08611	0.3
108.08121	0.4
109.06535	0.3
109.08887	0.2
110.09682	0.3
111.08080	2.4
117.07009	0.2
119.08589	1.0
120.08114	0.4
121.06501	0.6
122.09663	1.4
123.04438	0.2
124.07571	0.2
124.11237	0.2
125.06019	0.6
125.09651	0.2
127.03923	0.6
128.06253	0.2
131.08568	0.2
132.08044	0.2
133.06474	0.2
133.10126	0.3
134.09647	0.7
135.08069	0.3
136.11252	1.0
137.05963	0.5
137.11974	0.3
138.09158	0.5
138.12761	0.2
139.07553	0.5
145.06537	0.2
145.10133	0.3
147.08125	0.3
147.11664	0.2
148.07565	0.2
148.11188	0.1
149.05963	0.2
149.09608	0.2
150.09201	1.0
150.12799	0.4
151.03905	0.5
151.07526	0.3
152.10703	1.7
153.05489	0.4
155.03412	0.6
155.07054	1.3
160.11244	0.3
161.09628	0.4
162.12828	0.2
164.10677	0.3
165.05507	1.3
165.09122	0.2
165.11487	0.1
168.10278	0.7
173.09593	0.2
175.11177	0.6
176.10732	0.5
178.12291	0.3
179.07053	0.1
180.10182	0.2
181.08635	0.5
182.11783	1.5
183.06538	5.4
183.08151	0.3
186.12866	0.2
189.09138	0.3
190.09874	0.2
190.12184	0.2
193.12241	0.2
194.11761	0.3
197.08110	0.5
203.10732	0.3
205.12259	0.3
206.11653	0.2
206.15672	0.2
207.06575	0.1
216.08008	0.1
221.11784	0.4
222.14935	0.5
231.10205	0.2
232.13434	0.1
234.14841	0.9
242.15436	0.2
252.15958	0.4
260.16495	0.4
262.14447	0.2
262.18085	0.4
267.12317	0.3
270.15012	0.2
272.13040	0.2
276.15921	0.2
278.17581	0.2
290.17468	0.2
302.13809	0.1
304.15421	0.4
316.15717	0.2
318.17017	1.8
319.17224	0.4
320.14774	0.2
320.18552	4.5
321.18903	0.3
328.15271	0.1
334.16580	0.7
334.20059	0.2
336.18039	2.1
340.19125	0.2
342.17169	0.8
360.17990	1.4
370.20297	0.2
372.21597	0.3
388.21423	0.8
392.14209	0.1
398.19394	0.3
416.20688	8.4
417.21136	0.4
420.20071	0.2
434.21744	100.0
435.22073	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	754.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01873	3.7
55.05510	4.3
57.03440	2.8
57.07073	1.0
59.02105	0.4
61.02930	3.6
64.21648	0.4
65.03922	0.5
67.05518	2.5
68.99787	0.8
69.03432	17.8
69.07071	6.5
69.29742	1.1
69.30140	0.7
71.01354	0.5
71.05000	3.1
73.02917	3.7
76.07602	0.4
79.05493	3.8
81.03419	16.3
81.07058	8.6
83.01338	0.7
83.04984	0.9
83.08616	5.6
85.02906	50.1
85.06541	0.9
85.68240	0.3
86.03265	0.3
87.00828	12.1
87.04467	6.5
91.03957	1.4
91.05482	3.2
93.07047	10.1
95.04979	1.4
95.08608	24.9
97.02895	21.4
97.06528	0.5
97.10152	2.6
98.22657	0.7
98.89098	0.3
99.04457	6.3
99.08088	5.0
101.02363	0.7
103.03946	1.3
105.01868	17.5
105.07038	3.7
107.04919	0.4
107.08597	25.7
108.04463	0.8
108.08907	0.5
109.02878	19.0
109.06544	0.7
109.10162	6.5
111.04452	1.0
111.08099	1.2
113.09646	1.1
115.03934	27.1
117.01848	0.7
119.04923	0.5
119.08577	3.4
121.10149	43.7
122.10411	0.5
123.08071	0.7
123.11713	4.0
125.09625	1.2
127.03918	39.1
128.04309	0.4
129.01846	1.1
129.05467	0.7
131.08592	0.7
133.04970	9.2
133.10133	3.9
135.11697	11.9
137.13263	3.5
138.10077	0.4
139.11230	0.4
145.04964	22.3
145.10114	1.3
147.02870	0.6
147.04405	2.4
147.11678	1.3
149.13257	3.0
157.10158	0.9
159.02878	4.9
159.11682	1.5
161.09532	0.6
161.13268	1.0
163.06041	3.0
163.14777	0.4
165.05406	0.4
169.04959	0.7
171.11646	0.9
173.13243	1.0
175.06036	0.8
175.14828	3.4
177.16383	100.0
178.16699	2.7
181.04895	0.5
183.11638	0.4
185.13245	0.6
187.06015	1.0
187.11139	0.5
187.14877	2.0
189.04015	0.9
189.16422	0.8
195.17447	21.1
196.17778	0.6
199.14792	0.6
201.16454	0.6
205.15735	0.3
207.17552	0.5
209.13277	0.8
211.11140	0.5
213.03973	2.8
213.16602	0.7
213.18488	13.6
213.20560	0.8
217.07187	0.8
217.15782	0.6
219.17458	2.0
227.14345	0.5
231.05020	8.5
231.17458	1.1
237.18488	0.4
241.07104	3.0
243.17442	0.6
249.06068	5.2
253.07132	0.9
259.08133	6.0
261.18564	0.4
267.17435	1.0
277.09161	17.9
278.09567	0.4
283.08008	0.4
285.18478	2.7
301.09082	0.7
303.19531	1.6
321.20718	0.5
339.06860	0.5
339.20840	0.5
345.71552	0.4
357.08047	0.4
367.10196	0.5
375.09039	0.7
389.19476	2.3
393.10110	0.9
407.20572	3.6
425.21609	3.1
441.14911	0.4
443.22577	1.3
461.23294	0.6
471.11230	1.1
472.98636	0.4
489.12344	2.5
507.13641	3.1
789.55090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01873	3.7
55.05510	4.3
57.03440	2.8
57.07073	1.0
59.02105	0.4
61.02930	3.6
64.21648	0.4
65.03922	0.5
67.05518	2.5
68.99787	0.8
69.03432	17.8
69.07071	6.5
69.29742	1.1
69.30140	0.7
71.01354	0.5
71.05000	3.1
73.02917	3.7
76.07602	0.4
79.05493	3.8
81.03419	16.3
81.07058	8.6
83.01338	0.7
83.04984	0.9
83.08616	5.6
85.02906	50.1
85.06541	0.9
85.68240	0.3
86.03265	0.3
87.00828	12.1
87.04467	6.5
91.03957	1.4
91.05482	3.2
93.07047	10.1
95.04979	1.4
95.08608	24.9
97.02895	21.4
97.06528	0.5
97.10152	2.6
98.22657	0.7
98.89098	0.3
99.04457	6.3
99.08088	5.0
101.02363	0.7
103.03946	1.3
105.01868	17.5
105.07038	3.7
107.04919	0.4
107.08597	25.7
108.04463	0.8
108.08907	0.5
109.02878	19.0
109.06544	0.7
109.10162	6.5
111.04452	1.0
111.08099	1.2
113.09646	1.1
115.03934	27.1
117.01848	0.7
119.04923	0.5
119.08577	3.4
121.10149	43.7
122.10411	0.5
123.08071	0.7
123.11713	4.0
125.09625	1.2
127.03918	39.1
128.04309	0.4
129.01846	1.1
129.05467	0.7
131.08592	0.7
133.04970	9.2
133.10133	3.9
135.11697	11.9
137.13263	3.5
138.10077	0.4
139.11230	0.4
145.04964	22.3
145.10114	1.3
147.02870	0.6
147.04405	2.4
147.11678	1.3
149.13257	3.0
157.10158	0.9
159.02878	4.9
159.11682	1.5
161.09532	0.6
161.13268	1.0
163.06041	3.0
163.14777	0.4
165.05406	0.4
169.04959	0.7
171.11646	0.9
173.13243	1.0
175.06036	0.8
175.14828	3.4
177.16383	100.0
178.16699	2.7
181.04895	0.5
183.11638	0.4
185.13245	0.6
187.06015	1.0
187.11139	0.5
187.14877	2.0
189.04015	0.9
189.16422	0.8
195.17447	21.1
196.17778	0.6
199.14792	0.6
201.16454	0.6
205.15735	0.3
207.17552	0.5
209.13277	0.8
211.11140	0.5
213.03973	2.8
213.16602	0.7
213.18488	13.6
213.20560	0.8
217.07187	0.8
217.15782	0.6
219.17458	2.0
227.14345	0.5
231.05020	8.5
231.17458	1.1
237.18488	0.4
241.07104	3.0
243.17442	0.6
249.06068	5.2
253.07132	0.9
259.08133	6.0
261.18564	0.4
267.17435	1.0
277.09161	17.9
278.09567	0.4
283.08008	0.4
285.18478	2.7
301.09082	0.7
303.19531	1.6
321.20718	0.5
339.06860	0.5
339.20840	0.5
345.71552	0.4
357.08047	0.4
367.10196	0.5
375.09039	0.7
389.19476	2.3
393.10110	0.9
407.20572	3.6
425.21609	3.1
441.14911	0.4
443.22577	1.3
461.23294	0.6
471.11230	1.1
472.98636	0.4
489.12344	2.5
507.13641	3.1
789.55090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
55.01859	5.1
55.05510	22.2
56.44603	3.3
57.03428	10.4
57.07068	3.7
58.43726	3.2
67.05507	69.6
69.07068	23.8
69.46367	14.4
79.05494	80.1
81.03421	13.5
81.07056	66.4
81.91508	3.2
83.04958	13.1
83.08610	10.6
85.06530	4.9
86.09735	4.5
87.86483	3.2
91.04943	6.6
91.05481	100.0
93.07047	76.0
95.04980	21.8
95.08613	42.9
97.06523	6.8
97.10157	4.2
97.70328	3.2
99.08095	5.1
100.50658	3.2
105.04514	4.7
105.07030	77.3
107.04966	8.7
107.08607	37.6
108.15575	3.6
109.06507	8.4
109.10164	12.1
109.56740	3.9
117.07020	25.3
119.08582	57.1
121.06518	5.9
121.10153	23.9
129.07005	25.9
131.08569	22.7
133.10130	32.5
135.08076	4.0
135.11676	15.7
143.08574	17.5
145.10115	27.4
147.08096	5.0
147.11690	59.9
149.13263	6.7
157.10103	10.2
159.11731	18.1
161.09631	6.1
161.13243	33.3
169.10165	4.9
171.11679	33.2
172.07553	4.6
173.13303	8.4
175.11311	4.1
175.14810	12.1
184.07278	4.1
185.13269	9.9
187.11111	5.3
189.12749	10.2
207.13823	16.9
223.04321	3.7
231.21042	5.9
241.19493	28.8
259.20566	60.5
267.15695	5.7
275.05945	4.3
279.15933	15.5
281.17484	78.1
315.23367	9.3
333.24265	58.2
447.32361	6.8
465.33606	5.0
539.29779	4.6
539.37354	76.6
540.37317	6.1
557.38721	29.2
749.02411	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	754.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01872	3.7
55.05513	34.4
55.64757	0.5
57.03439	18.4
57.07079	35.2
58.07428	0.6
59.05000	4.6
61.02930	5.5
65.03939	1.2
67.05506	57.2
68.58458	0.6
69.03439	3.9
69.07069	14.2
69.20647	3.5
71.01355	1.1
71.05002	3.2
71.08633	28.7
71.09032	1.4
73.02912	2.5
75.04488	1.0
77.03953	0.7
79.05496	15.6
81.03431	5.0
81.07060	28.6
83.04987	3.4
83.08621	20.5
85.02905	18.2
85.06558	2.5
85.10184	16.1
86.09705	1.4
87.04465	6.9
89.06009	1.5
91.03959	1.7
91.05480	6.0
93.07053	7.9
95.04974	2.8
95.08608	27.2
97.02905	6.7
97.06529	2.6
97.10169	24.8
98.23414	1.5
99.04466	0.9
99.11721	0.7
103.03951	1.8
103.07589	1.9
105.07034	2.2
107.04949	1.9
107.07925	1.0
107.08598	11.7
109.06532	1.2
109.10157	46.5
111.04468	1.8
111.08087	2.7
111.11723	1.4
117.07026	1.7
119.08588	5.6
121.06502	0.9
121.10132	4.4
123.11699	4.2
125.09634	20.2
127.03884	1.2
131.08604	1.0
133.10141	1.3
135.11659	3.2
137.09637	1.9
137.13268	1.4
139.11194	0.8
143.10696	2.9
145.04926	0.9
145.10130	2.1
149.09683	1.3
153.12733	1.4
153.22298	0.6
155.10663	3.1
163.11188	3.7
173.09669	1.1
173.11748	13.0
181.12321	1.0
184.07378	4.3
191.10634	1.2
199.13307	12.7
200.41187	0.7
209.11743	3.5
227.12758	6.6
229.14346	55.0
237.92863	0.6
239.23602	4.8
243.08420	1.4
257.13861	1.4
257.24789	2.7
267.15967	2.3
283.15323	4.9
300.15228	0.8
301.16458	23.6
311.25806	0.9
313.27365	100.0
314.27628	4.6
319.17426	0.8
335.25769	1.8
341.26895	2.4
437.36206	6.8
455.37320	14.3
467.37274	26.6
468.37494	1.0
495.29474	1.9
501.22876	4.2
505.39221	0.9
507.38565	1.0
521.38629	1.0
526.62225	0.8
539.39429	13.0
557.39789	2.3
590.17041	0.7
650.43713	0.7
754.46014	1.3
755.45453	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	754.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01869	2.8
55.05512	29.8
57.03180	1.1
57.03437	15.1
57.07078	32.4
59.04990	2.6
60.48461	0.7
61.02916	3.0
65.03928	1.4
67.05505	52.5
68.05823	0.7
69.03428	2.7
69.07066	10.7
69.53126	2.7
71.01375	0.7
71.04997	1.8
71.08631	21.5
73.02918	1.5
75.04471	0.8
79.05491	14.0
81.03416	3.5
81.07056	26.0
83.04997	4.1
83.08624	14.6
85.02904	14.0
85.06541	1.3
85.10185	13.5
86.09708	1.2
87.04459	5.4
89.06026	1.4
91.05486	6.7
93.07046	8.1
95.04970	2.3
95.08606	22.8
97.02887	4.7
97.06531	1.5
97.10170	20.9
99.08100	0.8
103.03931	1.2
105.07031	2.8
107.04955	2.1
107.08592	8.8
109.10154	41.1
110.10457	0.8
111.04463	1.0
111.08067	2.1
111.11694	1.0
117.07010	1.4
119.08575	4.2
121.10146	2.6
123.08063	1.3
123.11710	2.7
125.09631	16.0
127.20434	0.6
129.06972	0.9
131.08568	2.0
133.10126	1.7
135.11667	2.8
137.09618	1.4
137.13242	0.7
143.10646	3.8
145.10101	2.0
151.14886	0.7
153.12766	1.4
155.10684	3.5
163.11206	2.2
173.09586	0.7
173.11743	10.2
176.03600	0.7
181.12227	0.7
184.07344	3.8
189.11255	0.8
191.10721	1.4
193.12202	0.7
199.13301	13.6
209.11693	3.8
217.14397	1.5
223.13298	2.3
227.12778	6.7
229.14345	55.1
230.14680	1.4
239.23709	3.4
257.13809	1.2
257.24744	1.5
261.22153	0.8
265.14398	0.9
267.15872	1.1
283.15457	3.4
297.16849	4.7
301.13046	1.3
301.16452	24.6
302.16730	0.8
313.27359	100.0
314.27808	4.9
319.17358	1.1
335.25714	4.4
341.26807	2.3
373.51712	0.7
437.36163	6.2
455.37381	14.4
456.37805	1.0
467.37344	30.1
468.37378	1.4
483.35779	0.7
521.38177	1.1
539.39380	13.8
540.39667	1.3
557.39435	4.4
653.43597	0.8
701.44745	0.9
754.43903	3.6
755.45819	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	754.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01881	5.8
55.05511	45.7
57.03438	19.7
57.07075	52.3
59.05003	3.4
61.02924	3.4
65.03934	2.5
67.05505	68.0
69.03423	3.5
69.07067	18.0
71.01363	1.2
71.04990	3.9
71.08630	36.1
73.02926	1.7
74.97169	0.9
75.04500	1.6
79.05489	20.7
81.03419	5.7
81.07054	36.6
83.04992	5.6
83.08620	23.0
83.09097	1.6
85.02905	25.3
85.06544	3.6
85.10180	22.0
85.10693	1.4
86.09708	1.9
87.04473	10.1
89.06027	3.3
91.03949	1.3
91.05472	7.8
93.07034	7.1
93.14441	0.8
95.04980	2.0
95.08603	32.3
97.02886	4.6
97.06533	3.0
97.10168	34.5
98.22713	3.0
103.03944	2.5
103.07594	2.2
105.07037	2.9
107.04931	2.2
107.08592	11.0
109.10155	57.7
111.04453	1.4
111.08118	1.5
111.11745	1.7
113.13278	1.0
117.07050	1.1
119.08599	4.8
121.10126	3.4
123.11701	6.2
125.09625	25.5
129.07059	1.0
131.08632	1.3
131.23990	0.9
135.11705	3.0
137.09679	2.6
137.13260	1.9
143.10660	4.5
145.10123	3.2
147.08084	1.4
153.12808	2.7
155.10693	3.1
163.11200	4.2
173.09666	1.6
173.11732	12.1
181.12292	1.4
184.07288	5.3
191.10678	1.7
199.13281	15.3
209.11742	3.9
217.14389	1.7
227.12798	14.3
229.14343	45.2
239.23790	4.5
257.13873	1.6
257.24728	2.1
283.15414	4.3
301.16437	33.7
302.16742	1.1
313.27350	100.0
314.27750	3.2
319.17596	2.9
341.26758	2.3
437.36179	6.9
454.71786	1.0
455.37259	18.2
467.37347	24.3
468.37567	1.2
521.38525	2.0
526.47571	0.9
539.39532	15.5
557.40326	5.3
754.41669	1.3
755.40247	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	755.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05505	2.0
57.03432	2.1
61.02926	3.7
67.05505	10.5
69.03438	3.1
69.06924	3.2
70.06589	6.8
71.04987	1.3
71.08625	0.6
73.02911	3.9
76.59504	0.5
79.05492	2.2
81.03421	2.0
81.07057	3.2
83.04982	0.7
83.08602	1.0
85.02904	5.4
91.03957	2.7
91.05494	2.4
92.84952	0.5
93.07059	1.9
95.04977	1.4
95.08611	1.9
97.02902	3.8
98.06045	0.8
98.97588	1.1
99.04470	1.2
101.02370	1.6
103.03931	0.6
105.07024	1.4
107.04916	0.6
107.08591	1.4
109.02887	1.0
109.10157	12.5
111.04428	0.5
111.08122	0.6
116.86459	0.5
117.06985	0.5
119.08595	1.1
121.10136	0.8
123.08064	0.6
127.03921	1.7
131.08543	1.0
133.10165	0.6
135.11716	0.9
137.09691	0.8
145.10129	1.0
147.11575	0.5
155.10661	1.3
157.07494	0.5
157.10136	0.6
173.11780	4.2
185.04210	1.9
195.09962	2.2
199.05772	0.9
201.03694	1.0
205.77231	0.5
213.12303	0.7
227.05284	0.6
229.14395	3.6
234.65971	0.5
235.13121	0.5
241.81226	0.5
243.08371	3.1
257.13977	0.7
259.20459	0.6
259.80649	0.5
265.14264	1.0
283.15433	1.2
289.74875	0.5
292.09140	0.5
301.09000	4.2
313.16077	0.6
315.10489	0.7
321.04971	1.3
322.60361	0.5
333.24350	0.8
339.14267	1.0
349.23831	0.6
357.15039	0.6
360.10410	1.2
373.11163	2.1
377.23029	1.1
385.18396	3.3
388.21268	1.2
413.17834	29.2
414.18176	1.2
423.23654	1.8
429.17361	1.8
441.20767	0.6
441.55057	0.6
444.19620	0.9
454.75839	1.0
469.20096	0.6
485.20105	2.1
503.28467	0.7
541.34998	1.3
551.80884	0.6
558.35028	1.4
575.36133	0.6
583.27209	0.8
583.47052	0.6
585.28815	100.0
586.29236	4.3
611.30481	1.1
613.31995	2.1
636.95239	0.6
641.31494	4.1
755.38409	14.8
755.51318	0.5
756.38440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01876	1.4
55.05514	8.8
56.00798	0.4
56.05859	0.8
57.03446	4.4
57.03701	0.6
57.07078	7.5
58.07419	0.9
59.04995	1.3
61.02925	5.9
65.03925	0.4
67.05506	12.8
67.05864	0.6
68.05848	1.6
69.03435	3.2
69.07071	4.6
69.09707	2.6
70.07402	0.5
71.01364	1.0
71.05000	1.9
71.08640	4.9
72.08978	0.6
73.02914	4.0
79.05499	5.3
81.03417	3.9
81.07060	8.3
81.07504	0.7
82.07407	0.6
83.01373	0.5
83.04983	1.1
83.08630	5.6
84.08955	0.6
85.02903	6.5
85.03354	0.6
85.06541	0.5
85.10202	2.2
86.03284	0.5
87.04467	1.7
91.03963	4.2
91.05474	3.2
93.07044	3.8
93.37937	0.5
95.04995	1.7
95.08607	6.2
96.08965	1.4
97.02891	4.4
97.06519	0.9
97.10168	4.2
98.10516	1.0
98.22731	1.2
99.04475	0.7
101.02404	1.9
103.03985	0.6
105.07050	1.7
107.08584	2.8
109.02878	0.6
109.06516	0.5
109.10152	8.0
110.10511	1.5
111.08130	0.8
111.11826	0.4
113.46622	0.5
119.08610	1.3
121.06560	0.5
121.10162	2.8
123.08115	0.5
123.11742	1.1
125.09631	3.0
126.10011	0.6
127.03928	1.4
129.07027	1.0
131.08597	1.6
133.10136	0.7
135.11731	1.0
143.10693	0.5
149.09648	1.6
153.12817	0.5
155.10701	0.7
157.10136	0.8
173.11789	2.0
175.11186	0.5
184.07367	0.9
185.04330	0.7
193.12370	1.5
199.13373	1.9
200.13660	0.5
203.05330	0.6
209.11847	0.5
225.14981	0.6
227.12955	0.8
229.14325	7.6
230.14709	3.4
240.24126	0.7
243.08357	2.4
267.16113	1.2
274.14755	0.5
283.15195	4.9
301.16556	2.5
302.16959	1.5
311.25778	0.8
313.27380	9.5
314.27704	10.9
339.17810	0.9
438.36185	0.8
451.25772	0.5
455.37659	1.3
456.37848	2.0
467.37451	2.1
468.37762	4.9
495.29260	5.6
501.23080	12.3
502.23471	0.9
540.39618	2.3
586.26190	0.5
755.45483	100.0
756.45850	9.7
756.89746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05507	2.4
56.31174	0.4
57.03439	2.4
57.07071	1.8
59.04993	1.2
61.02929	6.1
62.22429	0.5
67.05504	6.2
69.03420	3.0
69.07072	2.7
71.01385	0.4
71.04989	1.4
71.08635	1.3
71.43357	0.6
73.02912	4.5
79.05494	3.4
81.03403	3.1
81.07061	4.0
83.04965	0.9
83.08615	2.6
85.02901	6.0
85.10160	0.5
86.09702	0.7
87.04460	0.5
88.90678	0.5
91.03931	3.3
91.05470	2.2
93.07045	3.1
95.05015	0.8
95.08609	3.3
97.02889	4.4
97.06539	0.6
97.10151	2.1
99.04455	0.7
101.02399	1.7
103.03938	0.5
105.07037	1.4
107.08620	1.9
109.02885	0.9
109.10169	1.9
111.08111	0.5
111.11706	0.4
116.33083	0.4
119.08583	1.2
121.09424	0.5
121.10131	2.7
123.11732	0.5
125.09686	0.6
127.03948	1.4
129.05446	0.5
129.07008	0.8
130.56708	0.4
130.90053	0.4
131.08591	1.0
133.10123	0.8
135.11659	0.9
137.13260	0.4
139.11182	0.7
147.11754	0.7
149.09685	1.4
149.13278	0.6
157.10178	0.6
184.07248	0.4
185.04193	0.7
192.23758	0.4
193.12267	1.0
194.08203	0.4
203.05261	0.5
209.11758	0.5
209.38528	0.4
225.15018	1.1
229.14413	0.8
233.11513	0.6
243.08408	2.7
267.15900	0.5
274.22757	0.4
283.15134	5.1
284.15805	0.6
301.16641	1.2
302.16852	0.7
311.25906	1.3
313.27463	1.5
314.27835	1.0
358.14160	0.4
495.29318	6.9
501.23038	9.0
502.23502	0.4
540.40399	0.7
579.31744	0.5
596.47577	0.7
612.50726	0.4
696.39093	0.8
755.45477	100.0
756.45886	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	756.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.2
55.05513	0.6
63.02361	1.3
67.05481	0.6
69.03435	2.6
69.69891	1.8
70.06587	2.6
71.06940	0.6
78.04708	0.5
79.05497	2.2
80.05029	2.5
81.03429	0.7
81.07059	8.8
82.06588	1.3
83.04946	0.4
84.08128	1.5
85.02894	0.8
89.03914	10.8
91.05470	2.1
93.07027	0.9
94.06594	2.4
95.04949	0.8
95.08568	0.7
96.08131	1.1
97.02882	0.9
98.23363	0.6
99.04448	0.8
103.05442	0.7
105.04494	0.5
105.07014	1.5
106.06554	1.7
108.08122	4.2
109.05283	0.5
109.06495	2.7
109.08908	3.3
110.29536	0.5
111.08080	1.0
117.03379	29.2
117.07055	0.6
118.06517	0.7
119.04908	0.6
119.08565	1.4
120.08109	1.4
121.06518	0.9
121.08911	0.5
122.08836	0.5
122.09669	7.4
124.07590	1.5
125.05995	1.5
127.03899	0.8
131.08560	0.6
132.08037	2.5
133.06450	0.6
134.03615	1.7
134.09651	8.2
135.04388	2.5
135.10435	0.8
136.07573	0.9
136.11148	0.8
137.05980	7.7
137.08336	1.1
138.09135	0.6
144.08044	0.7
145.02847	75.7
146.03163	1.3
146.09668	1.7
147.08044	1.5
147.10526	0.5
148.07573	0.7
148.11209	1.9
149.05995	7.9
150.09143	4.7
152.10710	9.8
158.09630	1.2
160.11191	1.4
162.09079	0.7
163.03874	4.3
163.13603	0.9
168.10185	2.1
172.11282	0.8
173.09589	0.6
174.12790	0.6
175.07573	0.6
175.11148	0.9
176.10587	0.6
177.05472	100.0
178.05807	1.1
178.12233	1.2
180.10213	0.5
182.11778	8.8
186.05550	1.4
188.10719	0.8
198.11411	0.6
202.12305	0.9
206.11789	2.1
207.12589	1.6
208.13309	2.5
218.11784	0.9
220.13301	4.2
221.14108	0.7
222.14821	0.7
223.12007	1.3
224.12788	1.1
232.13370	3.8
233.14093	0.8
234.14944	2.0
236.12840	1.6
246.15111	0.6
248.12822	2.2
250.14398	0.7
251.15060	0.5
252.16064	0.6
270.14874	1.9
272.16513	0.9
276.15997	0.8
284.16644	0.6
286.14551	0.6
304.15469	0.6
314.17212	2.2
316.15378	0.6
322.20319	0.7
334.16467	1.1
340.21313	1.3
342.20746	1.4
358.20123	6.8
360.18024	6.9
360.21890	0.9
370.20102	7.6
378.26495	0.6
385.36887	0.5
388.21185	48.8
389.21500	2.0
402.19220	1.4
406.22293	4.5
418.22446	0.8
432.20245	0.6
496.21768	3.1
508.29443	0.6
509.95746	0.5
562.26544	2.0
564.26819	0.5
580.27539	25.5
581.27985	1.1
594.25543	1.2
658.27332	1.1
756.32184	70.7
757.32550	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	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
53.75951	0.7
55.01876	4.0
55.05512	13.0
57.03442	9.4
65.03952	0.9
67.05505	15.3
69.03431	2.9
69.07065	4.6
69.30718	3.6
71.04995	3.1
71.68424	0.7
75.40564	0.7
77.03913	0.7
79.05496	19.7
81.03420	45.3
81.07059	16.9
82.07404	0.8
83.04980	3.8
83.08624	14.3
85.02894	0.9
85.06544	1.0
87.73658	0.7
91.05486	14.6
93.07053	11.8
95.04968	18.9
95.05900	0.8
95.08608	6.7
97.02895	1.1
97.06534	3.2
97.10168	14.8
98.23499	1.0
105.07035	10.2
107.04957	12.6
107.08599	11.3
107.09271	1.1
109.06532	7.6
109.10162	4.6
111.04467	0.9
111.08098	5.7
115.05451	0.9
117.07037	5.0
119.04922	0.9
119.08580	9.2
121.06499	9.1
121.10149	6.8
123.04474	1.2
123.08060	4.3
125.09631	14.3
129.07028	6.6
131.04936	2.0
131.08556	8.9
133.06496	4.4
133.10132	5.4
135.08058	4.4
135.11711	1.6
137.09659	0.8
141.06969	1.4
142.07805	1.6
142.66084	0.7
143.08588	1.8
145.06483	6.1
145.10089	4.5
147.04393	1.4
147.08057	5.1
147.11703	6.6
149.06039	0.7
149.09605	4.5
153.09148	3.0
153.12796	1.8
155.08597	0.8
157.06500	1.5
157.10138	5.8
159.08051	1.7
159.11703	2.8
161.05898	1.2
161.09651	1.4
163.11197	3.3
165.12706	1.6
167.10800	1.0
169.06488	0.8
169.10127	1.6
171.08049	2.3
171.10225	1.7
171.11726	1.9
173.09659	2.2
173.13258	1.2
175.07584	0.9
175.11150	5.9
177.12735	1.2
181.10115	1.5
183.08257	0.8
183.11722	0.7
185.09602	1.8
185.13313	1.4
187.11224	1.9
187.14836	1.3
189.11232	5.1
189.12698	1.9
191.14374	1.4
193.12250	16.1
195.11700	1.5
197.09567	1.0
197.13261	1.6
199.11250	1.9
201.12704	1.2
202.79411	0.9
205.10236	0.9
205.12180	1.8
205.80304	0.7
211.13237	1.2
213.12749	1.2
215.14369	2.2
217.12277	1.2
219.13835	3.2
223.11368	1.0
223.13390	1.4
225.12825	1.3
227.12624	1.6
227.14551	1.5
231.13754	1.0
233.15321	4.4
235.13370	1.3
237.12781	1.9
239.14317	0.9
241.14388	1.1
245.15436	1.0
249.14883	1.9
255.13803	2.2
257.15457	0.9
259.13339	1.4
267.15912	37.7
271.16968	1.1
273.14822	7.5
273.17453	1.0
275.16492	1.1
287.16040	0.8
293.17700	1.3
331.20743	0.7
339.23160	1.7
349.21631	3.7
357.24304	2.4
367.22696	14.0
385.23727	21.0
386.23825	1.7
403.24872	5.9
405.24234	0.9
441.26382	9.4
459.27411	100.0
460.27606	6.3
477.28500	90.0
477.35754	1.4
478.28592	3.8
491.29980	11.6
501.28329	1.7
509.31128	4.9
567.29468	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	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.2
55.01865	5.6
55.05509	16.2
56.96563	1.5
57.03442	9.6
57.07099	1.6
59.04993	1.5
61.02927	1.8
67.05504	33.5
69.03432	3.7
69.07087	10.7
70.06599	4.8
71.04993	2.3
71.08640	11.3
76.45798	1.3
79.05495	30.4
81.03422	24.8
81.07063	41.5
83.01357	3.7
83.04985	8.4
83.08621	14.1
85.02910	4.5
85.06556	1.7
91.05482	23.6
93.07049	41.5
93.07604	2.8
95.01342	1.2
95.04975	15.3
95.08603	22.2
97.02904	2.1
97.06548	9.3
97.10163	4.2
98.23454	2.6
98.97591	3.3
99.04504	1.8
99.08089	7.4
105.04528	2.3
105.07037	18.4
106.07368	1.4
107.04953	9.6
107.08601	26.1
109.06526	4.9
109.10150	9.7
110.97539	1.3
111.04437	1.8
111.08086	3.9
113.09628	2.0
115.05553	1.5
117.07013	8.9
119.08582	17.9
121.06499	5.0
121.10150	18.5
123.08055	5.3
125.05972	1.5
125.09629	2.3
128.06264	1.4
129.07004	4.6
131.00154	1.4
131.08556	9.6
133.06483	2.4
133.10155	10.7
135.08046	3.3
135.11697	17.8
137.09669	2.7
141.09120	1.7
142.33504	1.9
143.08571	3.8
145.06480	1.4
145.10129	12.2
147.08104	2.8
147.11684	6.4
149.09625	4.2
149.13286	4.6
151.11208	4.5
153.12675	1.4
157.10114	4.3
158.99576	1.7
159.11714	4.1
159.24562	1.6
161.09596	1.6
161.13235	6.7
163.11203	14.3
165.12822	1.9
167.10649	1.3
173.09599	2.5
173.13225	1.5
175.11180	2.0
175.14810	1.6
177.00668	2.1
177.12785	1.6
179.14314	32.4
180.65436	1.2
181.12253	2.8
184.07330	1.4
185.13312	2.1
189.12772	1.7
193.12303	5.4
195.13803	1.3
207.32048	1.5
209.11740	2.8
227.12817	4.8
255.16014	2.6
267.15921	20.5
269.17523	5.8
275.20065	3.6
277.21631	25.5
283.15411	58.5
284.15842	2.2
321.04938	2.7
349.23657	4.3
351.25284	14.4
447.27365	6.1
455.10309	1.9
461.29004	15.6
541.35217	12.5
559.36298	100.0
560.36816	7.3
693.33789	1.8
787.01746	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	2.2
53.03915	2.0
55.01866	3.2
55.05512	14.6
57.03445	8.7
57.03701	1.3
57.07058	1.0
59.04981	1.3
61.02942	2.8
61.03186	0.9
65.03925	1.3
67.05507	33.1
69.03387	1.9
69.07069	7.7
71.01309	1.0
71.04957	2.1
73.02885	0.9
77.34872	0.5
79.05497	20.0
81.03408	2.8
81.07061	35.3
83.04990	2.7
83.08629	9.3
85.02912	3.0
85.06506	1.6
91.03912	1.7
91.05481	22.0
93.07046	29.1
93.73253	0.7
95.04972	5.3
95.08609	23.3
97.02896	3.5
97.06541	3.2
97.10118	1.7
97.33649	0.6
99.00819	12.5
99.08061	1.1
103.05428	0.8
105.04462	1.6
105.06380	1.0
105.07036	16.1
107.04951	3.6
107.08597	16.5
109.02888	8.7
109.06519	2.8
109.09435	0.7
109.10156	13.0
111.04399	1.0
111.08071	4.3
111.11681	0.6
113.05930	0.8
115.03902	1.9
115.05440	0.7
117.06430	0.6
117.07016	5.3
119.08583	11.5
121.06479	4.4
121.10152	10.7
123.04383	0.7
123.08042	1.6
123.11706	5.6
125.09630	1.0
127.03902	2.2
128.06224	1.2
129.06934	1.0
131.08560	6.6
133.06480	1.7
133.10130	30.6
134.10475	0.7
135.08000	1.1
135.10768	0.8
135.11699	9.2
137.05942	0.9
137.09576	1.6
139.07492	2.4
143.08531	3.7
145.06459	0.8
145.10115	4.1
147.11684	3.8
149.13263	4.6
151.11185	10.7
153.06944	0.9
159.11749	3.3
161.09619	12.2
161.13235	2.8
163.11153	0.7
163.14845	2.8
163.96204	0.5
165.09068	1.4
165.12669	0.6
171.07977	2.6
173.13316	3.1
175.14809	1.1
179.10674	8.8
184.07352	1.3
187.14752	1.7
189.09125	5.4
189.10739	0.9
197.11720	2.0
207.10136	3.6
225.11226	11.3
225.13408	0.8
227.12915	0.7
243.12326	3.4
243.21130	4.2
261.22134	15.5
262.22382	0.7
277.21683	1.4
279.23032	0.9
281.13779	2.5
283.15265	0.6
285.17053	0.6
299.14893	100.0
300.15259	3.4
315.23196	2.1
317.24661	3.1
335.25806	75.4
336.26273	2.8
421.31296	1.0
423.33212	0.6
439.31802	0.8
449.30573	2.0
457.33478	1.2
467.31766	3.3
485.32608	2.1
513.36060	2.5
515.37695	1.4
531.36823	1.9
541.35126	6.3
545.38300	0.8
559.36328	31.3
560.36707	1.6
577.37415	2.4
667.40295	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	756.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01870	10.7
55.05515	33.2
57.03444	18.7
57.07073	3.0
58.39837	2.0
59.05006	5.3
61.02914	6.9
65.03933	5.2
67.05503	55.2
69.03419	6.0
69.07070	18.6
69.15163	14.1
71.01363	2.2
71.04986	4.8
73.02895	2.3
79.05500	70.7
81.03416	19.0
81.07059	52.9
83.01345	8.8
83.04992	16.4
83.08625	22.7
85.02901	8.1
85.06548	2.5
91.05480	70.0
91.28547	2.2
93.07046	73.0
95.04958	18.7
95.08606	38.0
97.02886	7.5
97.06533	8.0
97.10168	9.2
99.04462	4.5
103.05458	3.6
105.04548	2.8
105.07033	71.0
107.04975	10.3
107.08595	47.7
109.06507	7.1
109.10183	11.6
111.08106	6.2
115.05472	2.4
117.07024	30.3
119.08578	62.6
121.06535	6.4
121.10148	31.4
123.08083	12.6
123.11747	3.5
125.09658	6.6
129.07021	14.1
131.08572	27.2
133.10139	38.2
135.08064	7.0
135.11707	30.0
137.09605	3.9
142.07762	3.1
143.08575	13.4
145.06483	2.5
145.10133	37.5
147.11699	34.8
149.09639	6.7
149.13257	9.8
153.12717	3.7
155.08534	3.6
157.10112	8.7
159.11681	18.8
161.13257	23.7
163.11186	36.3
163.14915	3.0
169.10220	3.0
171.11700	16.7
173.09665	4.7
173.13310	8.8
175.14873	10.5
181.12227	4.5
183.11652	4.5
184.07298	5.1
185.13220	9.3
187.14842	3.0
189.11266	7.8
191.10730	4.3
193.12285	3.1
197.13268	2.6
199.14932	6.6
209.11736	8.4
211.13361	2.8
213.16415	3.3
227.12775	19.7
231.21106	7.6
232.89085	2.4
241.19492	26.9
257.18741	3.2
259.20581	71.1
267.16003	3.2
275.20056	6.3
279.20847	2.5
283.15399	94.3
284.15646	3.2
285.16968	2.7
297.22223	9.1
315.23157	11.6
331.22946	2.3
333.24249	57.8
401.98273	2.5
431.29312	6.9
449.30533	10.6
467.31503	7.6
485.32489	4.3
523.34241	10.2
527.37494	5.3
541.35236	100.0
542.35394	3.8
559.36261	32.7
644.07074	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	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80034	0.5
53.00311	2.6
53.03912	2.5
53.04129	0.5
54.03607	0.5
55.01873	4.8
55.05512	19.4
57.03436	12.3
57.07040	1.9
59.04967	2.0
61.02926	4.5
61.73069	0.5
61.75650	0.6
64.15313	0.5
65.03902	1.6
67.05505	49.9
69.03392	2.4
69.07069	12.0
69.12157	3.6
70.06562	1.0
71.01331	1.3
71.04989	2.9
71.08604	0.9
73.02886	2.0
77.03900	1.3
79.05492	35.5
81.03413	4.3
81.07056	53.2
82.07348	1.0
83.04599	0.4
83.04984	4.7
83.08618	14.1
85.02909	3.4
85.06512	2.0
91.03922	1.9
91.05481	31.5
93.07043	42.3
95.04974	6.9
95.08605	35.3
97.02893	5.9
97.06549	4.5
97.10195	3.0
99.00817	17.0
99.04414	1.4
99.08065	1.9
101.02292	0.7
103.05427	1.8
105.04465	1.8
105.07030	24.2
107.04964	5.9
107.08593	23.4
109.02213	0.6
109.02887	9.9
109.06475	3.1
109.10158	18.6
111.04414	0.8
111.08085	4.1
113.05991	0.6
115.03909	2.6
115.05380	0.6
117.07021	5.9
119.07757	0.8
119.08580	15.5
121.02895	0.7
121.06517	5.9
121.10149	15.5
123.04382	2.0
123.08022	1.9
123.11716	8.2
125.09636	0.9
127.03931	2.7
128.06163	0.7
129.06943	0.8
131.08560	9.0
133.06419	1.6
133.10129	39.4
134.10448	1.0
135.08031	1.4
135.10782	0.7
135.11699	11.1
137.05939	1.7
137.09593	2.1
137.13173	1.0
139.07497	2.5
143.08539	5.2
143.98300	0.6
145.06454	1.0
145.10129	6.1
147.08011	1.4
147.11662	5.1
149.09604	0.8
149.13252	5.9
151.10063	0.8
151.11192	10.5
153.07025	0.8
157.10141	0.7
159.11694	5.0
161.09622	16.4
161.13264	2.9
163.11157	1.8
163.14824	3.2
165.09225	0.6
171.08066	3.1
171.11629	0.6
173.13261	3.7
175.14822	0.8
177.16341	1.4
179.10672	9.2
181.12148	0.7
184.07289	0.7
187.14799	1.9
189.09119	7.9
194.05493	0.7
197.11760	3.0
201.16351	1.0
207.10156	3.3
225.09122	1.0
225.11212	12.7
227.12787	1.1
233.22664	1.0
243.12317	3.5
243.21078	4.4
259.20773	0.7
260.67435	0.6
261.22134	20.4
277.21631	1.1
279.22955	0.6
281.13928	3.6
299.14886	95.9
300.15210	2.2
315.23160	2.2
317.24731	3.5
333.23993	1.3
335.25797	100.0
336.26102	5.2
353.26843	0.6
421.31326	0.8
439.31995	1.3
449.30542	1.3
457.33115	0.7
461.34821	0.6
467.31610	4.2
479.29858	1.2
485.32596	3.5
513.35931	3.5
515.37347	1.1
520.42334	0.7
531.36804	2.1
541.35120	7.2
549.37909	0.7
559.36292	53.0
560.36591	3.9
577.37457	2.2
667.40033	3.4
757.40833	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	757.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01878	0.7
55.05507	2.5
57.03444	1.9
59.05019	0.4
61.02937	3.5
67.05515	3.9
67.15462	0.3
69.03435	2.8
69.07076	1.5
71.05004	1.5
73.02924	3.0
79.05483	3.3
81.03423	6.2
81.07053	3.8
83.04977	0.6
83.08633	1.7
85.02902	5.7
85.06565	0.5
86.09793	0.3
87.04491	1.1
91.03965	2.4
91.05461	3.4
93.07044	3.4
95.04959	2.3
95.08619	2.2
97.02903	3.4
97.06535	0.8
97.10191	0.9
99.04500	1.2
100.97140	0.4
101.02405	1.5
103.03959	0.6
105.07042	2.0
107.08607	1.7
109.02926	0.7
109.06551	1.2
109.10194	1.6
109.60481	0.4
111.04492	0.4
111.08136	0.5
115.03963	0.4
119.08581	2.4
121.06578	0.4
121.10184	1.2
123.08034	0.4
123.11723	0.4
125.09682	1.1
127.03932	1.1
129.07034	0.7
131.08617	1.1
133.10175	1.4
135.08093	0.5
137.09700	0.4
145.05040	0.4
145.10231	0.5
147.11745	1.6
149.09674	1.4
157.10150	0.7
173.11765	0.6
175.11275	1.5
175.31995	0.4
183.06509	0.4
185.13297	0.4
193.12346	1.4
195.30072	0.4
204.13959	0.5
211.13408	0.7
220.42216	0.3
221.15366	1.7
227.13007	0.5
229.14462	0.8
233.11594	0.4
239.28479	0.4
243.08467	2.3
251.12555	0.4
257.13870	0.5
267.16064	0.6
283.15378	2.0
301.16696	0.6
311.18253	2.5
339.17822	0.5
469.20453	7.7
469.26358	0.6
478.29013	0.5
497.23514	2.9
501.23062	7.4
501.29636	0.6
529.26160	3.6
548.94922	0.4
725.34802	0.4
757.39868	100.0
758.40643	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	757.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.01867	0.2
55.05513	0.2
55.62343	0.1
56.96563	0.2
67.05506	0.5
68.05031	0.1
69.03428	1.4
70.06589	1.7
71.04989	1.5
75.84982	0.1
79.05486	0.5
80.05012	1.2
81.03410	0.1
81.07056	0.5
82.06560	0.2
82.77026	0.1
83.04977	0.2
84.08141	0.9
89.03915	0.3
91.05492	0.3
93.07044	0.5
94.06566	0.9
95.04971	0.3
95.08606	1.1
96.08143	0.5
97.02892	0.3
97.06522	0.2
97.08916	0.3
97.81497	0.1
98.06064	0.2
98.22701	0.3
99.04465	0.4
105.07027	0.5
107.08591	0.4
108.08134	0.3
109.08896	0.2
110.09694	0.5
111.08080	5.0
111.10457	0.1
112.07635	0.2
117.03391	0.4
119.08576	0.4
120.08124	0.3
121.06542	0.2
122.09669	2.5
123.08095	0.2
124.07600	0.5
124.11265	0.6
125.06006	0.4
125.09633	0.1
127.03922	0.9
129.05478	1.5
131.08609	0.1
132.08131	0.2
134.09627	0.4
135.08049	0.3
135.11815	0.1
136.07597	0.1
136.11215	2.4
138.12758	0.1
139.07520	0.6
140.08350	0.3
142.08638	0.2
143.00179	0.1
145.02843	1.0
145.10190	0.1
146.03183	0.2
146.09636	0.1
147.07976	0.1
147.11671	0.2
148.11177	0.2
149.05959	0.2
149.12001	0.1
150.09143	3.1
152.10699	1.1
154.05756	0.1
154.12271	0.3
155.07010	0.2
157.04965	0.2
160.11240	0.3
162.09148	0.1
162.12779	0.6
164.10699	0.3
164.14349	1.2
165.05441	0.1
165.12840	0.1
167.07042	0.5
168.10210	2.0
170.11809	0.3
174.12714	0.2
175.11205	0.2
176.14291	0.2
177.05493	2.1
178.05879	0.5
180.13887	0.5
182.11758	5.5
182.15311	0.3
183.06577	0.3
184.13399	0.2
190.15916	0.2
191.10512	0.1
192.13815	0.2
194.11789	0.2
194.15479	0.1
196.13322	0.1
206.11661	0.1
207.10197	0.2
208.13341	0.3
208.16991	0.4
210.14793	0.2
216.13864	0.3
219.10043	0.1
220.03215	0.1
220.13373	0.2
225.68410	0.1
232.13255	0.1
234.14877	1.6
235.15506	0.3
236.16470	0.9
238.14378	0.2
244.17058	0.2
248.16455	1.6
262.18054	1.0
264.19702	0.4
267.12170	0.2
269.03485	0.2
269.10614	0.8
272.16345	0.1
280.19052	0.3
287.11716	0.3
290.17560	0.5
304.18945	0.1
308.18542	13.6
309.07626	0.1
309.18848	0.5
322.20111	5.6
323.20447	0.2
329.12744	0.1
338.19641	0.5
341.10147	0.2
342.10587	0.2
344.18475	0.1
348.18033	0.2
362.19598	0.3
390.09229	0.3
408.84006	0.1
418.22238	3.2
419.22638	0.2
432.20093	0.1
433.20578	0.2
436.23279	100.0
437.23618	4.9
494.80838	0.1
511.96854	0.1
775.16309	0.1
776.17664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01872	0.3
55.05509	0.8
57.03443	1.6
57.07079	2.3
59.04994	0.6
61.02929	4.2
67.05502	1.9
69.03437	2.5
69.07062	0.7
71.01353	0.5
71.05003	0.7
71.08619	1.8
73.02922	2.8
75.04485	0.2
78.83611	0.2
79.05490	1.4
81.03416	3.2
81.07059	2.1
83.04987	0.5
83.08616	1.5
85.02904	4.2
85.10184	1.3
87.04491	0.6
91.03960	3.3
91.05465	1.9
91.05920	0.2
93.07062	0.7
94.91926	0.2
95.04980	1.0
95.08607	2.2
97.02895	3.5
97.06556	0.3
97.10168	0.4
98.22703	0.5
99.04467	0.8
101.02370	1.9
103.03909	0.5
105.07014	1.0
107.04952	0.2
107.08603	0.6
109.02878	0.7
109.06507	0.3
109.10168	0.8
111.08097	0.3
115.03960	0.4
119.08571	0.7
121.10138	1.2
123.11693	0.4
127.03918	1.5
129.06947	0.4
131.08551	1.0
133.10152	0.8
133.16756	0.2
135.08098	0.2
137.13269	0.2
145.04984	0.5
147.11739	1.2
149.09625	1.3
157.10086	0.9
175.11229	0.7
184.07442	0.2
185.04143	1.0
193.12251	1.8
201.42520	0.2
203.05334	0.7
208.29741	0.2
211.13454	0.2
219.08372	0.2
225.14923	0.8
233.11586	0.3
239.23750	0.6
243.08397	2.6
253.14191	0.3
259.07913	0.4
267.16040	0.9
283.15167	5.6
313.27271	1.3
339.17728	1.5
425.48047	0.2
441.21310	0.4
469.20877	0.4
497.30817	8.5
498.31207	0.3
501.23059	18.6
502.23471	0.7
595.41644	0.5
757.47052	100.0
758.47363	6.8
758.61139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
56.28363	0.5
67.05510	2.3
68.05003	0.9
69.03429	3.1
69.07025	0.9
70.06533	1.4
70.64159	0.6
71.04939	0.6
79.05440	2.1
80.04986	1.1
81.03394	1.2
81.07066	4.0
82.06586	6.7
83.01284	1.8
83.04963	0.7
83.07365	57.0
83.07845	2.1
84.08089	0.7
85.02853	0.8
86.06016	1.8
91.05429	1.9
93.06998	1.8
94.06522	1.1
95.04916	1.6
95.08546	1.1
96.04440	0.8
96.08138	11.1
97.02836	1.1
97.06506	1.2
97.08864	0.6
98.06006	0.5
98.09665	1.1
98.43741	0.5
99.04414	1.5
105.06964	1.7
106.06491	1.8
107.04916	1.6
107.08517	1.5
108.08134	3.3
109.06496	1.0
109.08865	1.1
109.10097	1.0
110.05993	1.1
110.09650	0.6
111.08025	0.7
112.07536	0.6
113.08322	0.5
119.08538	1.5
120.08134	2.8
121.06451	2.2
121.10132	0.6
122.05986	1.1
122.09596	1.8
124.07509	1.5
124.11240	6.9
125.08295	1.5
125.12018	11.1
126.12802	11.0
127.03893	1.1
127.06329	4.0
131.08511	1.3
133.10094	1.4
134.09581	1.5
135.04376	0.6
135.07982	2.0
136.07526	1.9
136.11157	1.8
137.05946	0.7
137.09537	0.9
138.06685	0.5
138.09090	1.7
138.12820	2.4
139.07443	0.6
140.07069	3.5
141.05417	0.9
142.12239	1.7
145.06427	1.0
145.10030	0.7
147.04317	0.6
147.08069	0.5
147.11549	0.6
148.07516	0.8
148.11206	1.2
149.09555	0.7
149.11922	0.5
149.13136	0.5
150.09105	0.6
150.12714	0.6
151.07458	1.5
152.07080	1.1
152.10713	16.5
152.14349	0.6
153.05356	0.8
153.11365	1.5
154.12231	1.4
155.03334	1.2
155.06941	0.6
156.04121	0.7
158.07353	0.7
159.07988	1.8
161.09618	1.0
162.09146	0.6
162.12798	4.8
163.03860	1.4
163.07503	0.9
163.11226	0.6
164.06987	0.8
164.14357	9.2
165.05502	0.6
166.08644	3.2
166.12215	1.8
167.07030	4.7
167.12987	0.6
168.10135	0.5
170.11769	22.8
171.12033	0.8
173.09651	0.8
175.07523	0.8
176.10733	0.7
176.14220	0.8
177.08984	1.0
177.12636	0.6
178.15903	0.6
180.10150	1.2
180.13844	2.5
181.10953	0.7
183.06471	1.1
186.12787	0.5
189.09068	0.7
192.13791	0.8
193.08553	1.0
194.11728	6.0
194.15417	11.0
195.16098	1.3
195.54703	0.5
196.07164	0.8
196.13329	6.7
203.07074	0.9
203.14200	0.8
204.13864	3.1
204.17361	1.1
205.15912	1.0
206.15382	1.1
208.13347	26.1
209.13927	1.1
215.14113	0.6
220.13171	0.7
221.08046	0.9
221.13875	0.6
222.14903	8.5
223.15689	5.9
231.10022	0.6
232.16870	1.9
236.10280	1.1
236.16492	0.6
245.11720	0.8
247.09598	0.8
248.16441	1.7
249.11176	0.6
250.18037	29.5
251.18384	0.5
278.17627	2.2
286.14407	0.5
287.12726	0.5
287.16238	0.6
297.14844	0.8
299.06009	0.7
304.15311	2.7
315.15933	2.1
320.14847	0.6
325.11798	0.7
329.18921	0.5
344.18610	1.9
346.20132	1.1
348.14581	3.6
360.21689	0.7
362.19632	22.4
363.19965	1.2
372.18002	0.8
376.17368	0.8
382.67599	0.5
388.21121	2.1
389.21634	0.7
390.19006	4.2
404.20651	3.6
405.21478	100.0
406.21921	5.9
450.20166	1.6
482.22614	0.7
584.25476	1.0
740.28888	5.1
758.30249	75.6
759.30463	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	758.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.77856	0.4
57.03423	0.9
57.07052	0.5
67.05479	0.6
68.05035	2.1
69.03413	1.4
69.07074	0.5
70.06606	0.8
71.04989	0.8
71.08639	2.5
79.05466	1.2
80.05015	1.1
81.07053	2.4
81.78468	0.3
82.06566	1.2
83.01334	0.5
83.04960	0.6
84.08138	0.6
86.06057	1.9
86.09692	1.3
87.93275	0.3
91.05473	1.2
93.07034	0.4
94.06551	1.3
95.04943	0.4
95.08609	0.6
96.04499	0.5
96.08128	0.8
97.02868	0.3
98.09666	0.7
99.04422	0.7
99.08072	1.8
103.05427	0.4
105.07025	1.5
106.06559	0.9
107.04945	1.3
107.08613	0.7
108.08101	0.9
109.06522	1.0
109.08910	0.5
111.10443	0.4
112.07617	0.8
112.11223	0.4
114.12801	2.8
115.05444	0.5
117.06964	0.4
119.04939	0.6
119.08560	0.6
120.08134	1.1
121.06474	0.8
121.08833	0.3
122.06025	0.6
122.09700	0.4
123.83469	0.3
124.07634	0.7
124.11228	12.0
125.06033	0.6
127.03924	0.5
128.06219	1.5
131.04910	0.5
131.08542	0.8
133.10139	0.5
134.06044	0.6
134.09666	0.9
135.04411	1.0
136.07553	0.6
136.11224	2.0
137.06001	0.9
138.12764	1.0
138.13918	0.4
142.12271	46.9
143.08545	1.6
143.12617	0.6
145.06549	0.4
146.09657	0.6
147.06833	0.5
147.08031	1.0
148.07584	1.5
148.11159	0.5
150.12749	1.1
150.33661	0.3
152.10617	0.5
153.05515	0.5
155.03430	0.7
155.07050	0.4
156.13855	1.2
159.08092	1.2
160.11301	0.4
161.08368	0.8
161.09622	1.6
162.09151	0.9
162.12807	1.4
163.09892	0.7
164.14394	1.9
165.05518	0.5
166.12251	0.4
167.07060	1.2
170.09723	0.5
171.08044	1.0
173.09653	0.8
174.06865	0.4
175.07600	0.4
175.11217	0.5
176.10713	0.6
176.14302	0.4
178.12257	0.6
179.10770	0.6
180.13873	0.6
182.15443	0.4
183.06554	0.7
184.07416	0.5
186.12714	0.4
187.07568	1.4
188.08287	0.7
188.10767	0.7
189.09099	1.1
190.12311	0.7
190.15981	0.5
191.07088	0.6
192.13882	1.0
195.06552	0.7
198.09079	0.5
200.10741	0.5
200.36679	0.3
203.07085	0.4
204.13844	5.3
204.17461	0.7
205.04971	0.9
205.08493	0.7
205.14600	0.7
206.15312	0.9
208.13370	0.5
208.17023	0.4
220.09612	0.7
222.14883	11.6
222.18361	3.0
223.15361	0.4
224.16475	0.6
232.16875	0.7
247.09503	0.5
250.17928	0.7
268.13495	0.4
286.17908	0.6
288.15643	0.4
292.11984	0.4
294.18442	0.4
300.16116	0.9
312.19540	0.8
318.17163	0.5
328.19092	0.7
330.20728	1.2
346.20236	0.5
348.03625	0.4
348.14520	1.0
351.24548	0.3
370.20105	1.0
372.18066	0.5
388.21262	2.1
390.19296	0.6
405.21497	1.7
406.22250	1.7
493.48279	0.4
566.23572	2.2
566.88666	0.4
584.24896	15.9
585.25116	0.9
617.61444	0.4
712.29614	3.8
713.30261	0.4
740.29852	2.5
758.30127	100.0
759.30469	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	758.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01853	0.4
55.05499	0.7
56.05017	0.5
57.03418	0.6
57.07058	0.5
58.06588	0.4
63.35061	0.2
65.03905	0.2
66.12810	0.1
67.05490	0.6
68.05029	2.8
69.03436	1.2
69.07053	0.4
70.06572	0.5
71.05009	0.7
71.08633	2.4
79.05493	1.7
80.05004	1.0
80.31532	0.2
81.03401	0.5
81.05812	0.3
81.07061	2.7
82.04187	0.3
82.06580	2.2
83.01344	0.8
83.04971	0.5
83.07346	0.4
84.04520	0.4
84.08115	0.4
85.02898	0.3
86.06070	2.7
86.09703	1.2
91.05479	1.6
93.05792	0.2
93.07058	0.8
94.06561	1.8
95.04979	0.7
95.07339	0.3
95.08599	0.4
95.61751	0.2
96.04497	0.8
96.08135	1.2
97.02876	0.3
97.08918	0.2
97.10226	0.2
98.06053	0.6
98.09691	0.9
99.04444	0.8
99.08098	2.0
100.07603	0.3
100.11246	0.4
103.05451	0.2
105.07027	2.2
106.06570	0.9
106.07207	0.1
106.19548	0.1
107.01308	0.2
107.04942	1.1
107.07342	0.2
107.08592	0.5
108.05725	0.3
108.08126	1.5
109.06511	1.3
109.08914	0.2
110.06021	0.8
110.09673	0.2
111.04453	0.3
111.08057	0.2
111.10443	0.7
112.07607	0.5
112.11234	0.3
113.06021	0.3
114.12813	2.9
115.05464	0.4
116.06215	0.2
117.07002	1.0
118.06552	0.3
119.04953	0.3
119.08580	0.8
120.08102	0.8
121.06518	0.8
121.08881	0.2
122.06024	0.6
122.09667	1.2
123.04426	0.2
123.06859	0.1
123.08054	0.4
124.07588	0.7
124.11234	12.9
125.06032	0.3
125.09637	0.3
126.09190	0.2
126.12793	0.4
127.03906	0.9
128.06209	1.2
129.07036	0.4
130.06546	0.5
130.07759	0.2
131.04938	0.2
131.07330	0.1
131.08638	0.8
132.08110	0.5
133.06500	0.9
133.09041	0.1
133.10146	0.8
134.06021	0.6
134.09641	0.8
135.04419	1.2
135.08057	0.3
135.10463	0.3
136.05144	0.2
136.07605	0.8
136.11211	2.6
137.06000	0.7
138.09132	0.3
138.12744	0.8
139.03876	0.2
139.07533	0.3
140.10727	0.2
141.06999	0.2
142.12273	50.4
143.08565	1.7
143.12614	0.5
145.06471	0.7
145.08958	0.2
145.10117	0.6
146.06013	0.9
146.09703	0.3
147.06789	0.7
147.08035	1.1
147.10364	0.2
148.07573	1.5
148.11241	0.7
149.05977	0.4
149.12021	0.2
150.06772	0.3
150.09103	0.5
150.12805	0.8
151.07536	0.3
152.10715	0.5
153.05476	0.4
153.09198	0.2
154.12314	0.3
155.03378	0.8
155.05952	0.2
155.07050	0.4
155.08432	0.2
156.13779	1.0
158.06036	0.2
158.07254	0.5
158.09695	0.2
159.08028	1.2
160.07628	0.4
160.08810	0.3
160.11235	0.6
161.05986	0.4
161.08360	1.1
161.09648	1.7
162.05469	0.2
162.06787	0.3
162.09108	1.2
162.12758	1.5
163.03908	0.3
163.07599	0.4
163.09938	0.8
163.11143	0.3
164.14355	2.6
165.05435	0.4
166.08670	0.6
166.12221	0.3
166.15817	0.3
167.07053	1.0
168.13818	0.5
170.09668	0.4
170.11775	0.7
171.08022	1.1
173.08344	0.2
173.09657	0.8
174.06764	0.4
174.09142	0.4
174.12764	0.3
175.07545	0.6
175.09837	0.2
175.11232	0.5
176.07054	0.3
176.10718	0.6
176.14388	0.5
177.05548	0.4
177.09113	0.4
178.12315	0.6
179.07123	0.2
179.10625	0.2
180.13811	0.9
181.08656	0.2
182.11697	0.3
182.15419	0.5
183.06573	0.5
184.07545	0.5
185.05974	0.3
186.09163	0.4
186.12851	0.5
187.03931	0.4
187.07547	1.1
187.13460	0.2
188.08305	0.3
188.10728	0.7
188.14366	0.6
189.09111	1.2
190.06339	0.3
190.12296	1.1
190.15918	0.5
191.07031	0.5
191.10762	0.3
192.13863	0.8
193.12288	0.2
194.11739	1.7
194.15437	0.3
195.06531	0.7
196.07059	0.2
197.08200	0.4
198.09180	0.6
200.10646	0.3
201.09125	0.2
202.08548	0.3
202.12234	0.3
203.07063	0.6
203.10716	0.8
204.13838	7.0
204.17426	1.0
205.05020	1.2
205.08591	0.6
205.14478	0.6
206.15405	0.8
207.06529	0.2
208.13350	0.4
208.16983	0.3
210.09113	0.2
210.14879	0.3
212.10643	0.2
213.07709	0.2
214.08673	0.4
214.15985	0.3
215.07101	0.3
216.10112	0.4
217.08507	0.3
218.08017	0.2
218.11765	0.2
218.15419	0.4
219.10223	0.5
220.09685	0.2
220.13361	0.2
222.14906	12.1
222.18361	3.6
223.15337	0.4
224.16499	0.2
226.12486	0.2
228.10246	0.2
230.11850	0.3
230.15565	0.2
231.06509	0.7
232.16959	1.4
233.04527	0.2
233.08168	0.2
234.11316	0.2
236.10773	0.3
236.16467	0.2
240.13802	0.2
242.15475	0.2
243.12341	0.2
244.09685	0.3
247.09645	0.4
250.12090	0.2
250.17996	1.0
254.15378	0.4
260.16415	0.8
266.19116	0.2
268.17062	0.2
272.16510	0.3
274.17865	0.2
276.15848	0.2
277.16824	0.2
278.17542	0.5
282.15094	0.2
286.18024	0.4
290.14011	0.2
290.17477	0.4
294.18478	0.8
296.16220	0.2
300.16092	0.6
300.19330	0.2
310.18002	0.3
312.19543	1.2
314.17593	0.2
318.17035	0.6
326.17490	0.3
326.21204	0.2
328.19168	0.5
330.20642	1.6
342.20917	0.3
344.22418	0.2
346.20074	0.8
348.14420	1.3
354.18420	0.2
355.17133	0.8
356.24036	0.2
358.16489	0.3
360.21735	0.2
370.20184	0.6
372.17896	0.7
374.19650	0.2
386.19748	0.4
387.20349	0.2
388.16846	0.2
388.21274	2.7
389.21359	0.2
390.19040	0.4
404.20828	0.4
405.21402	2.5
405.26450	0.2
406.22281	1.7
531.35760	0.2
548.23419	0.3
566.23932	3.3
584.24921	15.5
585.25275	1.0
694.28455	0.8
696.30151	0.4
712.29602	13.8
713.29633	1.2
740.29083	2.8
743.21497	0.2
758.30145	100.0
759.30328	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	758.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	0.6
67.05477	1.0
68.04996	0.7
69.03426	3.1
70.06548	0.8
79.05448	1.2
80.04988	1.0
81.05723	0.4
81.07043	3.3
82.06581	8.1
83.01293	1.9
83.07363	53.2
83.07838	1.7
83.08083	1.5
84.07627	1.0
86.05997	1.7
87.59109	0.4
91.05430	1.3
93.06973	0.9
94.06513	0.9
95.04919	0.8
95.07301	0.4
95.08555	0.5
96.05728	0.5
96.08132	10.8
97.08829	0.5
97.67344	0.4
99.04427	1.1
100.03974	0.4
106.06490	1.2
107.04920	1.1
107.08554	1.0
108.08114	3.8
109.06492	1.0
109.08882	0.5
110.05975	1.2
110.09627	1.0
112.07606	0.6
117.06961	0.5
119.07265	0.5
119.08573	0.8
120.08106	3.4
121.06455	0.7
121.10088	0.6
122.05995	1.2
122.09608	1.6
123.10385	0.6
124.11243	7.3
125.05959	0.5
125.08319	0.9
125.12021	10.7
126.12806	8.6
127.03868	0.8
127.06300	2.9
131.08516	0.7
133.06514	0.5
134.09666	0.7
135.07976	0.9
136.07497	1.2
136.11229	2.1
137.05859	0.6
137.09608	0.4
138.05428	0.5
138.09175	2.2
138.12749	2.3
140.07066	3.6
141.05304	0.6
141.07793	0.5
142.12248	2.1
145.06424	0.7
147.08028	0.8
148.07535	1.0
148.11165	1.6
149.09544	1.0
149.11948	0.7
150.09100	0.8
150.12737	1.0
152.07066	1.0
152.09532	0.8
152.10704	15.1
153.05341	0.7
153.11429	1.8
154.12209	1.3
155.03320	1.3
155.07002	0.6
156.04076	0.5
159.08043	0.8
162.09100	0.6
162.12773	4.0
163.03839	0.5
163.07483	0.8
164.14357	8.6
165.05576	0.6
165.09126	0.5
166.08609	3.1
166.12233	2.0
167.07033	3.9
167.09340	0.7
167.12959	0.6
167.87717	0.4
168.13788	0.6
169.11024	0.6
170.11765	25.2
175.07468	0.8
176.10646	1.3
176.14307	0.7
177.09087	0.8
179.07002	0.5
180.10144	1.5
180.13809	2.3
181.08501	0.6
181.11014	0.7
182.11682	0.6
183.06525	1.1
183.12439	0.4
184.07201	0.6
191.10638	0.6
194.11794	4.1
194.13277	0.6
194.13625	0.7
194.15398	9.7
195.16125	0.6
196.07285	0.8
196.13338	6.1
197.08148	0.5
203.14178	0.5
204.13809	3.4
204.17445	0.5
206.15382	1.3
208.13332	25.8
209.13753	0.8
220.09732	0.6
220.16934	0.7
222.14891	6.5
223.15639	4.1
232.16927	1.3
236.10399	0.8
248.16406	1.6
250.18031	25.0
251.18665	1.5
260.16510	0.9
278.17450	1.6
297.14676	1.0
304.15405	2.8
315.15942	2.8
318.17227	0.5
330.13345	0.7
344.18515	2.2
346.20154	1.3
348.14389	3.3
362.19595	20.0
363.19952	0.6
374.19583	0.5
376.17157	0.6
377.22238	0.6
379.89944	0.5
388.21121	3.4
390.19098	3.8
404.20612	3.7
405.21466	100.0
406.21750	5.0
437.29672	0.5
552.40546	0.5
553.62231	0.5
555.77356	0.6
740.29065	1.1
758.30151	59.4
759.30603	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	758.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.64610	0.5
56.05036	0.6
64.80466	0.4
67.05503	1.2
68.05027	2.7
69.03441	2.9
69.07082	0.6
69.17618	3.0
70.06577	0.7
71.04996	0.8
71.08632	1.7
79.05508	2.0
80.05032	1.4
81.03440	1.0
81.07054	2.7
82.06585	5.0
83.01347	1.0
83.05008	1.1
83.07365	26.6
85.02911	2.3
86.06078	2.8
86.09701	1.2
91.05494	1.8
93.07057	1.6
94.06594	1.5
95.04984	0.9
95.07410	0.5
95.08646	0.5
96.04521	0.6
96.08141	6.3
97.02897	1.4
97.06505	0.6
98.09710	0.7
99.04469	1.1
99.08115	0.7
105.07049	2.0
106.06595	1.6
107.04977	1.2
107.08605	0.6
108.08136	3.0
109.06552	1.3
110.06083	1.0
110.09720	0.9
114.12831	2.2
115.03993	0.8
117.07057	1.0
119.04943	0.7
119.08624	0.6
120.08105	2.5
121.06509	0.8
122.06062	1.4
122.09685	1.6
124.07612	0.7
124.11240	12.7
125.06001	1.1
125.08382	0.7
125.12029	5.8
126.12833	3.4
127.03910	1.3
127.06322	1.8
128.06267	1.1
131.08554	1.1
133.06500	0.7
133.10176	1.4
134.09679	0.9
135.04416	1.1
135.08023	0.5
136.07568	0.9
136.11230	3.4
137.06013	0.9
138.09143	1.2
138.12823	1.4
140.07083	1.4
142.12282	39.8
143.08600	1.5
144.08153	0.5
145.05013	0.8
145.06471	0.5
145.10123	0.7
146.06068	0.6
147.06900	0.9
147.08125	1.3
148.07593	1.3
148.11256	1.0
150.09152	1.1
150.12819	1.5
152.10715	7.8
153.05525	0.9
153.11508	0.8
154.12326	0.7
155.03459	0.9
156.13870	0.7
159.08116	0.9
160.07680	0.6
161.08444	0.9
161.09641	1.9
162.09164	0.9
162.12769	2.9
163.07587	0.6
163.09920	0.8
164.10703	0.5
164.14360	5.0
166.08614	2.4
166.12328	1.0
167.07065	3.0
168.10277	0.7
168.13841	0.9
170.09650	0.7
170.11768	12.3
171.08118	0.9
173.09662	0.8
174.06813	0.7
175.07549	1.0
175.11163	0.7
176.10689	0.7
176.14365	0.8
177.05493	0.6
177.09183	1.3
178.15987	0.5
180.10178	0.7
180.13878	1.8
184.07471	0.8
187.07574	1.3
188.10799	0.6
188.14391	0.6
189.09189	1.3
190.12267	0.8
192.13893	0.8
194.11797	2.4
194.15410	4.7
195.06528	0.6
196.07329	0.7
196.13322	2.2
198.09148	0.8
202.08513	0.5
202.12186	0.7
203.07115	0.9
203.10733	0.7
204.13882	5.8
204.17574	0.5
205.08734	1.0
206.15407	1.2
207.06586	0.8
208.13338	13.1
208.16530	0.6
214.16075	0.5
219.10172	0.7
220.09726	0.5
222.14905	10.9
222.18378	3.3
223.15720	3.3
231.06583	0.8
232.17015	1.3
236.10522	0.5
248.16284	0.7
249.07680	1.0
250.18060	13.9
259.08273	0.5
260.16562	0.7
277.09323	0.8
278.17621	1.3
286.14267	0.5
287.05621	0.6
288.06052	1.0
297.15149	0.7
304.15543	1.4
312.19705	0.8
315.16187	0.8
316.19016	0.5
328.19098	0.6
330.20547	1.0
344.18658	1.2
346.20386	1.5
348.14481	2.6
360.21848	0.6
362.19611	9.6
362.23639	0.9
370.20184	0.7
372.18140	1.1
388.21280	3.0
390.18970	2.8
404.21140	0.7
405.21478	59.9
406.21909	3.9
421.25967	0.5
566.23907	1.6
584.24884	6.7
585.25439	0.8
626.25659	3.1
712.29840	4.0
740.29028	2.6
742.30743	1.2
758.30182	100.0
759.30719	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	758.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.5
57.07093	0.4
62.79198	0.3
67.05497	1.1
68.05018	0.8
69.03439	2.5
69.07044	0.6
70.06589	0.8
79.05499	1.5
80.05020	0.6
81.07053	1.9
82.06587	6.5
83.01353	1.5
83.04993	0.5
83.07363	47.9
84.07687	0.7
84.08154	0.6
85.02892	0.6
86.06070	1.5
88.86900	0.3
91.05467	0.7
94.06572	0.8
95.04976	0.7
95.07334	0.6
95.08624	0.4
96.08137	8.9
97.06574	0.5
97.08907	0.9
99.04452	1.1
99.08080	0.3
100.03992	0.3
105.07046	0.7
106.06571	1.1
107.04973	0.5
107.08539	0.5
108.08114	2.5
109.06509	0.8
109.08891	0.5
110.06059	1.1
110.09681	0.4
111.08083	0.5
115.05503	0.4
117.07054	0.4
119.04951	0.4
119.08612	0.5
120.08118	1.8
121.06477	0.9
122.06040	0.9
122.09676	1.1
123.08093	0.7
124.11239	6.9
125.05989	0.4
125.08396	1.0
125.12026	8.0
126.12805	7.7
127.03905	0.7
127.06309	3.0
131.08614	0.8
133.06514	0.4
133.10152	0.3
134.09648	0.9
135.08093	0.8
136.07596	0.9
136.11234	1.8
137.06017	0.7
138.09178	1.8
138.12802	1.6
140.04652	0.4
140.07042	2.6
141.05450	0.6
142.12273	3.3
145.05037	0.4
145.06523	0.4
147.08078	0.8
148.07587	0.8
148.11238	1.2
149.05983	0.4
149.09608	0.6
150.09177	0.7
150.12833	1.1
151.07555	0.6
152.07164	0.8
152.10718	11.5
153.05455	0.5
153.11491	1.5
154.08574	0.4
154.12225	1.6
155.03381	0.6
156.04196	0.9
159.08113	0.9
162.09016	0.4
162.12778	2.9
163.03973	0.4
163.07500	0.4
164.14359	6.7
165.05521	0.5
165.14862	0.4
166.08647	2.9
166.12268	1.6
167.07047	3.3
167.13037	0.5
168.10208	0.5
169.10931	0.4
170.11768	18.0
171.12061	0.5
174.09222	0.4
175.07515	0.9
176.10684	0.8
176.14362	1.1
177.09126	0.7
178.08676	0.3
178.12302	0.7
178.15959	0.6
179.07018	0.4
180.10265	0.9
180.13821	2.2
181.04793	0.4
181.08640	0.5
181.10989	0.5
182.11818	0.7
183.06592	1.0
190.16066	0.4
191.07013	0.4
193.08698	0.4
194.11783	4.4
194.15404	7.7
195.16188	0.9
196.07381	0.7
196.13342	4.5
197.08020	0.4
201.09042	0.5
203.07060	0.6
204.13869	1.3
204.17444	0.9
205.16011	0.5
206.15417	1.1
207.06581	1.1
208.13333	19.7
209.13788	0.6
219.10161	0.4
221.08102	0.7
222.14915	6.0
222.18556	0.4
223.15674	3.7
231.13828	0.4
232.17038	0.8
233.15366	0.6
234.14787	0.5
236.10454	0.9
236.16431	0.7
248.16486	1.2
250.18033	21.6
251.18703	1.4
260.16296	0.4
278.17560	1.4
288.96402	0.4
297.14999	1.0
297.99841	0.3
304.15469	1.6
306.16803	0.3
315.15982	2.1
316.19101	0.4
318.20465	0.3
341.18295	0.7
344.18640	1.6
346.20233	1.0
348.14392	2.0
362.19614	17.7
363.19907	0.7
374.19376	0.6
386.19858	0.4
390.19110	3.5
404.20721	1.5
405.21466	100.0
406.21719	4.7
467.22705	0.4
504.97495	0.4
566.23334	0.6
584.25110	0.4
654.51746	0.4
712.29285	0.5
740.28467	1.0
758.30157	56.1
759.30621	5.3
768.05957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
57.07077	0.6
66.68454	0.3
67.05499	0.9
68.05025	0.8
69.03428	2.5
69.07065	0.4
69.37624	1.1
70.06580	1.0
79.05478	1.1
80.05003	0.9
81.03432	0.2
81.05788	0.5
81.07056	2.2
82.06580	6.0
83.01335	1.8
83.07360	46.9
84.07675	0.4
84.08137	0.6
85.02908	0.9
85.06512	0.3
86.06063	1.2
86.09730	0.3
87.04473	0.3
91.05466	1.1
93.07032	0.9
94.06577	0.7
95.04963	0.8
95.08587	0.3
96.04538	0.5
96.08125	9.1
97.02898	0.7
97.06530	0.7
97.08936	0.6
98.06041	0.7
99.04455	0.9
105.06998	1.2
106.06571	1.1
107.04950	0.5
107.07327	0.3
107.08586	1.0
108.08124	3.3
109.06510	0.7
109.08850	0.5
110.05351	0.2
110.06049	1.0
110.09750	0.3
111.08125	0.4
115.03929	0.7
117.07043	0.5
118.06495	0.2
119.07361	0.3
119.08586	0.7
120.08091	2.1
121.06477	0.9
121.08941	0.3
122.06037	0.7
122.09636	1.5
123.04450	0.3
123.10445	0.3
124.11228	6.6
125.05956	0.5
125.08368	0.8
125.12017	8.2
126.12798	6.4
127.03919	1.2
127.06298	2.8
129.07043	0.3
130.06483	0.3
131.08574	0.8
132.05780	0.2
133.05025	0.4
133.06505	0.4
133.10184	0.3
134.09665	0.7
135.08081	0.7
135.11713	0.6
136.07613	1.0
136.11235	2.1
137.05931	0.6
137.09645	0.2
138.09125	1.7
138.12772	1.7
140.04701	0.2
140.07056	2.7
141.05528	0.6
141.07848	0.5
142.12288	2.2
145.04994	0.5
145.06451	0.4
145.10164	0.3
147.04378	0.5
147.08058	0.4
148.07574	0.6
148.11197	1.1
149.05994	0.3
149.09624	0.5
149.11990	0.6
150.09142	0.9
150.12784	1.2
151.07545	0.2
152.07094	0.7
152.10709	11.5
152.14316	0.3
153.05458	0.7
153.11507	1.3
154.08626	0.2
154.12268	1.2
155.03404	1.1
155.07086	0.5
156.04073	0.5
159.08041	0.6
161.05983	0.6
161.09616	0.4
162.09177	0.3
162.12787	3.4
163.03900	0.5
163.07562	0.5
163.11156	0.3
164.07060	0.5
164.14354	7.1
165.05458	0.5
165.09093	0.5
165.14873	0.3
166.08661	2.9
166.12325	1.3
167.07033	3.6
167.13103	0.4
168.10239	0.8
170.11761	19.8
173.09650	0.3
175.07527	0.6
176.10706	0.6
176.14360	1.0
177.09143	0.8
177.12715	0.7
178.08600	0.3
178.12236	0.4
178.15923	0.5
179.07091	0.2
180.10228	0.9
180.13812	2.4
181.08571	0.4
182.11736	0.5
183.06493	0.6
187.07576	0.3
189.09056	0.3
190.15988	0.3
191.07043	0.3
191.10635	0.4
193.08618	0.6
194.11769	4.1
194.15393	6.9
195.06497	0.5
195.16061	0.6
196.07362	0.6
196.13339	4.6
197.08138	0.5
203.07065	0.6
203.14328	0.4
204.13840	1.8
204.17435	0.6
205.15915	1.0
206.15408	0.6
207.06529	0.5
208.13329	20.2
209.13904	0.8
220.09674	0.6
220.16962	0.3
221.08076	0.6
221.14110	0.3
222.14880	5.9
222.18391	0.5
223.15662	3.3
228.13780	0.3
232.17030	1.0
233.15462	0.6
234.14879	0.2
236.10461	0.7
236.16515	0.4
248.16406	1.2
250.18022	20.6
251.18538	0.8
260.16351	0.4
277.09103	0.4
278.17578	1.2
297.14935	0.9
304.15436	1.7
315.15823	1.7
318.21036	0.2
327.15778	0.3
334.20102	0.3
344.18515	1.4
346.20245	1.0
348.14398	2.2
362.19626	15.5
363.19867	0.8
374.19467	0.5
376.17511	0.4
377.21948	0.3
388.20984	0.5
390.19086	2.9
404.20694	2.3
405.21454	100.0
406.21796	4.1
406.27081	0.3
424.96463	0.3
566.23456	0.4
584.25342	0.4
740.29205	0.6
758.30157	43.0
759.30402	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01857	5.7
55.05252	2.5
55.05512	26.6
57.03439	19.2
57.07063	2.3
61.02911	5.9
65.03941	6.0
67.05505	85.1
68.05825	1.7
69.03429	3.4
69.07069	24.5
70.71994	2.1
71.04990	6.8
73.02921	2.1
77.03926	1.3
79.05496	65.9
80.05840	1.5
81.03418	9.1
81.07057	71.4
82.07379	1.6
83.04989	16.1
83.08631	13.9
85.02908	9.1
85.06549	4.4
91.03928	2.1
91.05478	48.9
93.07047	72.9
95.04968	20.5
95.08610	47.2
97.02888	9.9
97.06538	10.1
97.10172	5.6
99.04458	2.7
99.08092	3.1
103.05461	2.0
105.04543	2.5
105.07035	33.0
106.07362	1.4
107.04962	12.7
107.08595	41.2
109.02894	1.7
109.06534	7.1
109.10155	28.4
111.04443	15.1
111.08100	4.7
113.06024	1.7
113.09666	2.0
115.05509	1.6
117.07018	20.4
119.06194	1.4
119.08581	25.1
121.06524	4.9
121.10145	31.2
123.04420	1.8
123.08092	5.3
123.10931	1.6
123.11681	9.4
125.05995	2.4
125.09628	3.8
127.03910	1.4
128.06274	2.4
129.07016	8.1
130.07771	2.0
131.04895	1.5
131.08583	22.5
133.06471	2.9
133.10130	22.9
134.82022	1.1
135.08063	6.8
135.11694	27.3
135.12656	2.4
137.09608	4.9
137.13263	1.7
139.11186	1.5
141.06958	1.6
142.07774	1.7
143.08566	8.3
145.06512	4.8
145.10123	28.0
147.08052	4.1
147.11699	11.3
149.06004	1.4
149.09627	7.7
149.13274	7.0
151.11212	3.8
153.12778	1.5
155.08571	5.7
157.10162	6.1
159.08066	1.8
159.11688	11.9
161.09645	3.5
161.13290	6.9
163.11189	17.2
163.14775	3.0
165.12877	1.3
169.10193	2.7
171.11668	6.0
173.09633	8.1
173.11928	1.8
173.13287	7.0
175.11206	3.3
175.14854	2.9
177.12695	1.7
177.16455	1.6
181.12289	2.9
183.11771	3.8
184.07388	2.7
185.09595	1.4
185.13283	3.5
187.14932	3.1
191.10695	8.8
195.11751	1.5
199.11089	1.4
199.14827	2.6
209.11716	22.7
227.12704	6.6
227.16295	2.3
229.14375	3.9
241.19638	2.5
243.21086	4.2
253.14388	5.4
255.15865	2.6
257.19080	1.4
259.20538	3.4
261.22147	11.5
265.14285	1.9
267.16156	1.8
271.20630	1.6
273.22070	5.5
277.21600	1.8
279.23404	1.5
283.15405	86.3
284.15793	2.9
285.16968	4.4
291.22998	2.3
299.20154	1.4
301.16464	11.2
301.21664	2.1
313.21771	1.9
315.23138	8.1
317.21014	2.9
317.24692	2.4
333.24142	2.8
335.25812	64.5
336.26022	4.0
373.23779	2.0
389.26797	2.2
415.30084	1.8
420.02939	1.6
423.32458	2.7
433.31006	7.9
435.27328	1.5
441.33939	1.5
451.32050	12.8
469.32971	10.5
487.34384	3.8
507.34821	2.6
515.37177	3.8
525.35773	22.6
526.35767	1.8
543.36816	100.0
544.37158	9.8
561.37787	27.0
562.38086	2.3
668.39984	2.0
758.42072	2.5
759.42279	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01878	8.6
55.05259	1.7
55.05509	22.2
57.03436	17.7
57.07071	3.0
59.05002	2.3
61.02921	5.2
65.03934	2.9
67.05506	66.6
69.03421	3.1
69.07067	14.7
71.01354	3.6
71.05004	7.0
71.08588	1.8
73.02931	1.6
77.03988	1.2
79.05492	55.7
81.03420	19.0
81.07054	57.1
82.07397	1.3
83.01331	2.3
83.04980	15.7
83.08616	11.5
85.02903	9.7
85.06536	3.6
86.09717	1.2
91.03926	2.0
91.05473	31.6
93.07043	60.7
95.04973	10.5
95.08605	47.5
95.09218	2.5
97.02890	10.2
97.06527	9.0
97.10172	6.2
99.04471	2.0
99.08108	2.0
105.04485	2.0
105.07023	22.0
107.04974	12.3
107.08598	35.9
109.06522	5.6
109.10159	23.3
111.04432	6.8
111.08069	5.1
113.09592	1.2
115.05410	1.8
117.07003	11.9
119.08573	19.5
121.06512	4.5
121.10149	30.5
123.08093	6.1
123.11720	6.5
125.06042	2.3
125.09644	2.8
129.07011	4.3
130.07788	1.9
131.04886	1.5
131.08571	16.5
133.10112	9.1
135.08026	3.7
135.11694	27.1
137.09634	3.4
139.07491	1.2
139.11205	3.6
143.08540	2.7
145.06502	1.7
145.10127	26.5
147.08026	2.7
147.11705	4.7
149.09636	3.6
149.13278	6.0
149.14328	1.1
151.11211	1.5
153.12724	11.0
155.08565	3.1
157.10164	2.6
159.11716	6.0
161.13268	3.1
163.11183	31.1
163.14807	2.9
171.11681	1.8
173.09624	6.6
173.11867	1.6
173.13274	4.2
178.19037	1.1
181.12227	8.1
184.07358	1.7
187.14754	1.4
191.10651	9.3
209.11719	23.5
209.13515	2.1
227.12749	16.5
229.14497	1.1
241.19356	1.5
243.21043	2.8
245.13805	5.3
259.20532	1.5
261.22174	15.1
265.14352	4.2
283.15414	32.8
299.23508	2.5
301.16449	71.1
302.16922	1.7
317.24796	2.5
333.24228	2.6
335.25790	100.0
336.26022	6.3
388.21655	1.3
433.30975	3.6
451.31940	3.7
469.33139	2.7
525.35760	10.1
543.28485	2.0
543.36829	50.0
544.37445	6.0
561.37848	91.4
562.38342	7.3
668.40466	14.1
758.41339	6.6
759.39606	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01871	8.4
55.05254	2.1
55.05512	25.1
57.03177	2.1
57.03442	18.1
57.03712	0.9
57.07071	4.0
58.77761	1.3
59.04998	1.6
60.48620	1.2
61.02927	5.6
65.03941	3.9
67.05509	75.6
67.47365	1.1
69.03420	4.7
69.07075	20.1
71.01351	2.9
71.04994	4.8
73.02919	3.8
77.03928	2.1
79.05499	55.8
81.03425	19.3
81.07062	69.9
83.01337	2.7
83.04987	18.9
83.08630	13.7
85.02897	9.4
85.06530	3.3
91.03932	2.1
91.05479	39.2
92.05749	1.1
93.07051	67.1
95.04971	15.7
95.08613	53.3
96.08919	1.4
97.02895	12.2
97.06551	9.3
97.10183	5.6
99.04483	4.2
99.08088	2.0
105.04524	3.0
105.07034	21.5
107.04959	18.6
107.08598	38.2
108.08980	1.2
109.02856	2.5
109.06522	5.7
109.10166	22.1
111.04444	12.4
111.08081	3.6
113.06017	1.5
115.05473	1.3
117.07021	15.0
119.08589	24.1
121.06506	4.5
121.10152	30.3
123.04408	2.2
123.08069	4.6
123.11728	5.7
125.05955	1.4
125.09628	4.2
128.71814	1.1
129.07008	5.5
130.07849	1.2
131.08582	19.6
133.06584	1.4
133.10121	16.0
135.08022	2.3
135.11693	29.9
137.09631	3.2
137.13197	1.7
139.11188	1.4
141.07016	1.2
143.08585	4.0
145.06494	2.9
145.10126	25.6
147.08060	4.3
147.11700	8.1
149.09624	4.8
149.13254	7.4
151.11156	3.6
153.06995	1.3
153.12761	12.1
155.08611	3.3
157.10152	2.0
159.08008	1.3
159.11755	6.6
161.13257	4.2
163.11182	30.1
163.14835	4.0
164.11543	1.4
167.10632	1.5
171.01982	1.4
171.11658	2.3
173.09628	6.0
173.11894	1.4
173.13321	4.7
175.11235	1.5
175.14816	1.5
181.12247	7.3
182.80794	1.2
184.07217	1.1
185.13126	1.1
187.14899	2.3
189.11079	1.5
191.10663	11.2
193.12267	1.2
195.11774	1.8
199.14790	1.8
203.27853	1.2
209.11732	32.9
227.12761	19.9
243.20967	3.6
253.14384	2.9
259.20560	3.5
261.22147	15.2
265.14160	2.7
267.16086	1.8
273.22076	2.6
277.21588	1.4
283.15417	56.2
284.15628	1.7
285.16949	2.0
289.21912	1.3
299.23688	2.1
301.16476	53.1
315.23285	2.0
317.24631	2.5
333.24078	1.9
335.25815	100.0
336.26004	5.6
415.29694	1.4
433.31009	6.5
434.88071	1.1
451.32114	10.3
461.28250	1.2
469.33356	5.8
479.29953	1.8
487.34164	2.2
507.34451	1.9
515.37238	1.6
525.35767	12.8
526.36340	1.7
543.36841	81.3
544.37244	6.6
561.37891	47.4
562.37970	4.7
668.40778	8.1
758.42664	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01865	5.9
55.05513	35.9
57.03439	25.4
57.07067	4.0
57.86199	1.5
58.65247	1.9
61.02934	4.3
65.03934	5.6
67.05504	73.7
67.68385	1.6
69.03422	6.5
69.07066	20.4
71.04991	8.3
79.05492	79.0
81.03419	79.1
81.07060	69.6
83.04982	23.5
83.08621	33.5
85.02908	31.6
85.06536	6.4
86.09701	4.2
91.05479	97.2
92.05815	2.4
92.15342	1.9
93.07047	71.3
94.07388	2.6
95.04972	35.5
95.08607	38.9
97.02900	5.0
97.06522	9.0
97.10165	6.8
99.08095	3.8
100.54715	1.8
105.04525	5.1
105.07031	91.1
107.04923	10.3
107.08601	35.3
109.06520	8.5
109.10155	16.1
111.04416	2.7
111.08070	12.0
115.05470	1.9
117.07037	17.1
119.08583	74.0
119.09426	3.8
121.06512	3.4
121.10149	35.8
123.08058	6.6
123.11696	3.2
125.09613	4.4
128.06232	4.7
129.07002	25.3
131.08566	41.8
133.06493	3.2
133.10132	56.0
135.08075	2.3
135.11688	19.5
142.07826	6.6
143.08609	10.6
145.10129	29.3
147.08035	6.5
147.10579	3.9
147.11691	57.3
148.12067	2.4
149.09587	9.9
149.13254	12.6
155.08583	6.8
155.83002	1.8
157.10129	26.6
159.11702	22.1
161.09613	3.0
161.13257	28.4
163.11197	6.8
163.14798	2.2
165.12750	3.7
167.05652	2.0
169.10120	3.9
170.10851	2.0
171.11702	13.8
173.13243	10.8
175.11186	17.6
175.14780	12.0
177.12712	2.4
181.10045	3.0
183.11700	4.2
184.07343	12.9
185.13275	10.5
187.14842	5.4
189.87311	1.8
193.12257	54.1
195.11656	4.2
197.13277	3.8
199.14818	5.7
201.16383	2.5
211.13278	75.0
213.16371	2.8
227.12767	5.5
231.21100	7.7
241.19525	32.0
251.40829	2.2
257.18893	2.8
259.20581	72.6
260.20975	3.0
267.15918	31.1
275.20151	2.7
277.21707	3.3
283.15396	5.1
283.20740	2.3
285.16968	83.9
299.23679	2.3
301.21399	2.1
309.22235	2.2
315.23172	11.2
325.21393	2.8
331.22580	2.4
333.24243	62.4
334.24722	2.6
421.26080	2.9
433.30811	10.1
451.32068	10.8
469.32892	5.5
487.34189	2.1
496.20685	2.2
507.34402	2.5
515.37354	3.0
525.35828	32.0
543.36823	100.0
544.37225	7.4
561.37231	2.9
593.17072	2.0
758.36768	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	759.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.3
69.03431	4.8
70.06597	1.5
70.73530	0.3
71.04983	0.4
79.05485	0.2
81.07059	0.4
84.08152	0.4
86.00740	0.3
95.04939	0.3
95.08583	0.4
96.08089	0.6
105.07008	0.4
110.09666	0.9
111.08083	26.1
112.08399	0.7
119.08587	0.3
122.09634	0.5
126.84162	0.2
139.07472	0.4
140.10724	0.4
149.68953	0.3
150.09094	0.5
158.54091	0.2
162.12762	0.2
168.10146	0.4
180.13737	0.5
184.13275	0.6
188.14293	0.3
196.13341	0.3
206.15404	5.6
208.13289	1.1
234.14886	39.7
235.15263	1.4
248.16322	0.4
262.18082	0.6
280.19116	0.7
290.17575	0.5
294.20660	2.4
304.19211	0.4
308.18570	13.0
309.18802	0.4
322.20123	41.8
323.20514	1.4
338.19830	1.3
338.23190	0.3
339.20093	1.2
339.23663	0.5
340.21182	100.0
341.21533	3.2
420.20258	5.1
421.20593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03839	0.3
53.45107	0.3
55.05397	0.4
55.05641	0.3
55.46250	0.3
57.03304	0.7
57.03600	0.5
57.06935	1.1
57.07249	0.8
61.02776	1.8
61.03132	1.1
63.41786	0.3
67.05347	3.1
67.05753	1.4
69.03275	1.2
69.03676	0.5
69.06963	0.4
69.07269	0.3
69.83390	0.7
69.83736	0.4
71.01209	0.3
71.04873	0.7
71.08485	0.7
73.02757	1.6
73.03190	0.6
79.05360	0.4
81.03249	1.0
81.06877	1.7
83.04832	0.5
83.08512	0.5
85.02722	2.9
85.03280	0.7
85.10027	0.6
91.03765	2.1
91.05343	0.3
93.06913	0.5
95.08411	1.3
97.02687	2.5
97.03378	0.8
98.22807	0.4
99.04315	0.6
101.02192	1.2
101.02853	0.6
103.03794	0.3
109.02731	0.5
109.09946	5.2
109.10773	0.9
115.03817	0.4
119.08469	0.3
123.11644	0.3
127.03694	1.5
138.57542	0.3
145.04681	0.3
173.11729	1.8
183.06366	0.4
185.04007	0.4
195.09663	0.9
198.74231	0.3
201.07501	0.4
203.04971	0.5
229.14307	1.5
231.10063	0.3
243.08405	1.7
251.12518	0.4
313.27158	0.9
313.30920	0.3
413.12582	0.6
413.17795	11.0
497.30807	6.5
503.20941	0.4
504.37595	0.7
507.36511	0.5
562.42255	0.4
622.38501	0.4
634.52319	0.4
669.41815	100.0
670.42114	4.9
713.44373	0.6
741.43671	0.6
759.44550	12.7
760.45490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29530	0.4
55.01848	0.4
55.05489	1.3
57.03452	1.7
57.07075	2.1
61.02928	4.1
67.05504	5.0
69.03432	2.6
69.07052	1.1
71.04937	0.5
71.08607	1.4
73.02922	3.7
79.05466	0.6
81.03429	1.8
81.07058	2.5
82.00012	0.3
83.08592	1.2
85.01675	0.3
85.02470	0.4
85.02909	4.6
85.10159	0.7
87.04465	0.4
91.03965	3.0
91.05462	0.8
93.07032	0.8
95.04965	0.5
95.08609	2.1
97.02898	3.8
97.10174	0.8
98.22862	0.4
99.04423	0.7
101.02359	1.5
105.07001	0.4
105.29887	0.3
107.08577	0.6
109.02908	0.8
109.10154	5.9
111.08026	0.4
115.03942	0.4
119.08551	0.7
121.10148	0.4
123.11673	0.3
127.03899	1.2
155.10623	0.6
166.09464	0.3
173.11769	2.1
184.07362	0.4
185.04289	0.6
195.09993	0.8
229.14297	1.6
243.08337	2.4
266.75769	0.3
313.27426	1.0
337.27615	0.4
413.17822	13.3
413.23364	0.7
414.18396	0.5
497.30957	6.4
669.41821	100.0
670.42120	5.4
741.44019	0.4
759.43103	28.7
760.43414	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03455	0.7
61.02936	0.9
69.03411	1.9
69.38808	3.0
71.90696	0.5
73.02895	0.6
77.03940	0.6
79.05481	2.6
81.03417	8.9
83.26681	0.7
85.02911	7.6
88.95589	0.6
90.16182	0.7
91.05457	1.8
95.04976	1.3
97.02869	2.2
98.22685	1.2
99.04454	0.7
103.05466	1.1
107.04958	7.5
115.05452	4.7
117.07013	11.0
123.04430	1.3
124.05223	1.2
125.91299	0.6
127.03905	1.5
127.05476	0.6
129.07001	1.9
131.08597	3.3
141.07019	1.2
142.12280	0.8
143.04893	1.2
144.05692	1.7
145.06488	30.7
147.08038	0.9
155.06003	5.0
155.07100	0.8
156.05687	5.3
157.06490	1.6
159.08032	5.1
161.05989	3.1
162.07614	1.5
163.03830	0.8
167.07036	38.6
168.07396	0.7
173.05984	61.8
174.06332	0.8
175.07591	1.8
177.05426	0.8
180.08684	2.7
183.06474	0.9
184.05202	1.3
187.07533	4.7
190.06248	30.1
191.06964	2.2
193.08592	2.5
202.06276	2.8
203.07014	6.3
205.08603	100.0
206.08958	2.3
207.06490	1.5
217.08600	38.7
218.09036	1.1
219.08189	1.3
219.10214	3.3
220.08963	0.8
223.09634	2.7
231.08054	1.0
235.09650	32.2
236.10037	0.9
247.07404	0.9
247.09665	8.4
248.08316	1.4
249.09189	0.7
261.09201	1.2
263.07114	0.7
263.10684	1.3
264.07730	0.7
265.10712	60.5
266.11176	1.1
269.08316	0.7
271.09613	1.7
277.08698	0.8
279.10056	0.8
291.10083	1.9
293.08203	0.7
299.08987	1.0
307.09650	1.5
308.10519	1.0
311.12860	0.6
315.08688	3.6
319.09677	1.0
323.12833	2.2
325.29849	0.7
330.10944	7.9
331.11670	2.3
337.10510	0.8
339.12445	1.3
343.11798	1.1
351.12485	3.2
357.11444	0.8
368.12576	1.1
369.13214	1.2
371.14902	2.9
383.14914	11.7
384.15143	0.8
401.15933	20.5
402.16135	1.5
760.31500	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	760.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01890	5.1
55.05511	18.3
57.03443	6.1
58.36363	1.1
58.89398	1.1
59.34867	1.1
60.93732	1.2
61.02938	4.3
65.03947	2.0
67.05513	20.2
68.05040	3.5
69.03429	9.5
69.07078	9.5
70.06596	100.0
71.04998	6.7
73.02938	3.8
79.05496	17.8
79.05881	1.4
81.03425	11.6
81.07063	12.1
83.04987	9.8
83.08629	10.7
85.02918	10.6
86.06068	1.7
91.03957	2.3
91.05467	12.7
93.07042	14.8
95.04974	14.7
95.08620	8.6
96.08166	3.0
97.02885	6.5
97.06542	9.7
97.10189	5.2
99.04455	7.6
103.05486	1.5
105.07036	37.8
107.04951	10.8
107.08597	12.7
109.02927	2.3
109.06567	4.8
109.10162	14.0
111.04482	3.8
111.08143	4.3
115.05508	1.4
117.06994	5.9
119.04978	2.6
119.08590	10.2
121.06509	24.6
121.10140	10.4
123.08098	1.7
123.11747	3.1
125.06004	5.9
125.09683	5.0
127.03974	2.6
128.06316	1.6
129.07048	4.4
130.07867	1.9
131.05060	1.5
131.08565	13.3
133.06497	22.1
133.07483	1.3
133.10124	8.3
135.04478	1.9
135.08093	3.4
135.11769	3.8
137.06010	3.0
137.09621	2.0
138.20781	1.1
140.07132	1.6
141.07047	2.5
142.08704	5.2
143.07092	7.2
143.08574	3.3
144.09386	3.6
145.06502	6.1
145.10130	41.0
147.08104	3.3
147.11688	3.3
149.09708	2.4
149.13237	1.4
151.07591	3.1
151.11176	12.0
153.09129	2.8
153.12756	1.6
154.07822	4.0
154.35704	1.1
155.08577	6.3
155.10727	1.2
157.10201	2.6
158.07280	12.0
159.08061	9.0
159.11728	12.7
161.09727	2.9
163.11282	4.6
167.14354	11.6
169.10130	7.0
171.08073	2.1
172.08891	3.3
173.09625	64.9
173.11870	2.0
173.13368	4.2
174.10074	2.1
175.11267	3.1
175.14893	2.7
179.08704	1.8
181.12296	4.0
182.07306	2.3
187.07587	1.3
187.11179	33.6
191.10797	3.6
191.14429	4.5
193.12259	2.9
197.09633	10.3
204.13960	2.4
205.12204	15.4
209.15373	62.5
215.10674	55.9
227.12878	3.7
229.14485	5.3
233.11739	52.5
234.12143	2.6
236.16635	5.1
251.12965	3.6
254.17480	9.2
259.94943	1.4
260.16672	1.6
266.38721	1.2
267.16043	2.6
275.12915	1.4
278.17764	1.9
285.17065	1.9
296.18542	11.5
301.16461	3.1
310.20273	1.7
314.19614	7.3
328.21185	2.8
337.12839	24.3
337.16501	1.9
355.13837	15.8
359.15387	1.3
370.22406	4.7
374.23459	2.1
377.16385	1.5
388.22757	9.1
388.71481	2.6
389.21500	8.4
481.16986	3.1
499.18152	11.9
538.33893	7.3
574.21124	1.3
580.35138	7.3
589.50372	1.3
598.35864	93.4
599.36230	2.9
619.31934	1.6
760.41394	76.0
761.41626	4.3
773.22632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
55.01871	4.0
55.05513	22.1
57.03437	23.8
57.07085	1.6
59.05004	1.8
61.02924	2.2
65.03950	2.7
67.05505	71.9
69.03429	3.9
69.07068	18.1
69.28750	6.4
71.05003	4.1
77.03930	1.1
79.05495	51.7
81.03417	94.3
81.07057	74.7
82.07393	1.8
83.04977	9.4
83.08618	24.5
83.54519	1.2
85.02921	3.3
85.06561	2.0
91.05484	39.4
93.07044	52.2
95.04966	34.1
95.08607	50.8
97.02893	4.4
97.06513	6.1
97.10173	7.8
99.08084	1.5
105.04541	1.9
105.07031	30.7
107.04939	7.7
107.08595	29.4
109.06546	4.7
109.10162	21.1
111.04457	1.7
111.08091	6.8
115.05471	1.8
117.07010	9.8
119.08582	31.7
120.15646	1.2
120.38847	1.2
121.06525	3.9
121.10153	23.9
123.08073	4.7
123.11677	7.5
125.09644	4.8
129.07022	13.1
131.08571	22.4
133.06532	4.5
133.10129	17.1
135.08054	2.7
135.11682	13.8
137.09613	2.5
137.13290	2.2
139.11191	1.2
141.06989	1.6
142.07822	1.9
143.08565	4.3
145.10138	15.2
147.08086	5.2
147.11684	18.6
149.09615	6.3
149.13257	8.4
155.08548	1.9
157.10146	14.1
158.80063	1.1
159.11685	7.7
161.13255	6.0
163.11168	3.1
163.14767	2.7
165.12799	3.4
169.10136	2.0
171.11754	1.6
173.13245	7.2
175.11179	12.3
175.14742	5.4
177.12769	1.4
177.16415	1.8
184.07394	2.3
185.13301	2.5
187.14856	3.5
189.11272	3.3
193.12230	28.4
199.11160	1.1
199.14766	1.8
205.15883	1.5
211.13307	2.4
215.17990	1.2
219.17433	1.3
223.13072	1.1
227.12770	7.0
235.13380	1.8
243.15825	1.7
243.21054	6.7
249.15010	2.9
261.22134	21.4
267.15912	100.0
268.16168	2.5
285.16986	4.5
299.23660	1.8
301.14218	1.9
301.25302	5.8
309.16977	3.8
310.59610	1.4
315.19562	1.2
317.24771	3.9
335.25809	88.9
336.26074	3.6
421.25699	2.0
435.27390	2.0
435.32532	6.7
446.65314	1.4
453.33435	8.9
466.21216	1.8
471.34937	5.9
475.29190	1.2
509.36179	2.1
527.37347	61.1
528.37714	3.3
545.38397	58.9
546.38385	3.2
563.39307	4.3
569.38245	3.1
635.39435	1.5
760.43097	20.3
761.41718	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	760.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01875	4.6
55.05512	25.1
57.03438	13.4
57.07076	4.4
59.04993	3.6
61.02923	4.1
61.33090	3.2
65.03947	4.3
67.05505	95.9
69.03445	7.9
69.07072	26.8
71.04994	30.6
71.08651	3.9
73.04762	4.6
79.05498	60.5
79.60757	2.9
81.03417	36.0
81.07061	65.2
81.07507	5.3
83.04984	14.1
83.08617	23.5
85.02907	17.2
85.06538	5.6
86.09698	3.8
91.05472	57.2
93.07049	80.9
95.04964	21.8
95.08601	48.7
97.02901	6.4
97.06538	7.9
97.10191	10.7
98.23450	7.4
99.04462	3.5
99.08073	7.0
104.10748	3.4
105.04532	3.8
105.07032	56.4
107.04951	7.6
107.08598	36.5
109.06563	8.1
109.10161	48.8
111.08096	9.7
112.32761	3.4
117.07001	17.3
119.08585	48.9
121.10154	34.9
123.08105	6.4
123.11704	5.5
125.09629	9.8
129.07024	12.1
131.08598	31.7
133.10107	32.4
135.08080	4.0
135.11705	24.8
137.09599	10.3
143.08560	10.3
145.10158	18.9
147.11685	24.1
149.09639	7.0
149.13220	6.4
151.11139	3.9
157.10149	16.5
159.11711	19.4
161.13280	11.1
163.11172	6.1
163.14748	4.5
169.10141	3.9
171.11719	9.6
173.11931	5.2
173.13284	10.1
175.11188	10.6
175.14923	3.8
181.12241	3.3
183.11684	4.1
184.07317	10.2
185.13274	6.9
185.67456	3.0
193.12283	20.4
197.13239	4.5
211.13266	27.9
227.12799	8.5
241.19466	8.3
243.15926	6.4
243.21129	7.0
255.15964	4.9
259.20618	24.8
261.22159	10.2
267.15994	4.1
269.17490	11.4
277.21564	4.2
285.16895	26.8
287.18430	19.3
315.23184	4.3
333.24265	20.1
335.25778	23.3
395.29321	5.6
421.30911	3.6
435.99918	3.4
463.30539	6.5
469.47049	3.9
471.34528	3.9
487.34213	53.5
495.34979	4.9
513.35724	36.9
519.36975	8.7
527.37415	26.6
531.36639	8.3
542.98395	3.2
545.38306	100.0
546.38550	8.5
563.38391	5.7
689.41534	5.0
760.39111	20.4
761.40320	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	761.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05508	1.6
67.05505	2.4
68.05830	0.5
69.07056	1.4
69.73091	0.4
72.56878	0.5
79.05491	2.2
79.97736	0.5
81.03419	1.3
81.07074	2.4
83.08605	0.9
86.09731	0.6
91.05503	1.5
93.07037	1.5
95.08614	2.0
100.14774	0.6
105.07059	0.8
107.08603	0.9
109.10172	1.0
119.08573	1.2
121.10105	0.6
126.09429	0.5
133.10143	0.6
134.18159	0.4
136.12074	0.6
184.07381	0.7
263.51620	0.5
267.09811	0.5
267.16028	1.3
301.16415	0.6
337.27390	1.0
374.23419	0.9
519.29053	0.6
535.26624	0.5
545.38422	0.7
546.38910	2.4
564.39911	0.8
594.36200	0.7
761.38623	100.0
762.38983	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	761.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.03448	1.3
67.05512	6.2
68.05834	0.8
69.07055	1.4
71.44720	0.7
79.05486	2.8
80.05834	1.0
81.03436	1.4
81.07064	4.1
82.07397	0.8
83.04977	1.7
83.08615	1.5
85.02942	0.8
91.05457	1.9
93.07029	2.1
95.08611	3.0
97.02900	0.9
97.06525	0.9
97.10168	1.0
101.18631	0.6
105.06998	1.1
107.04917	1.0
107.08607	2.3
109.06459	0.9
109.10159	2.6
119.08553	0.9
121.10114	1.5
123.11698	0.8
125.06020	0.6
125.64722	0.6
135.11726	1.1
145.10136	1.3
153.12737	0.7
163.11134	2.1
191.10728	0.6
209.11798	0.7
227.12796	1.5
283.15445	2.3
284.15778	0.6
301.16385	2.7
302.16940	1.4
337.27475	3.1
338.27750	2.6
388.21021	0.8
545.37555	1.0
546.38806	5.9
563.39319	1.6
564.39478	3.2
592.32495	0.7
761.38617	100.0
762.38794	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	761.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
55.01875	0.8
55.05515	0.5
57.03442	1.3
59.05008	1.0
60.24755	0.3
61.02925	3.4
66.27067	0.4
67.05505	2.1
69.03429	1.8
69.07086	0.6
70.33799	0.4
70.97014	0.4
71.05005	1.7
73.02917	2.3
79.05493	3.4
81.03417	4.1
81.07059	2.8
83.04982	0.8
83.08634	1.2
85.02902	3.9
87.04482	1.0
91.03970	1.6
91.05482	3.7
93.07050	2.2
95.04966	1.9
95.08584	1.8
97.02910	3.1
97.06547	0.8
99.04488	1.0
101.02390	1.4
103.03963	0.6
105.07057	2.3
107.04978	0.9
107.08620	1.6
109.02873	0.8
109.06561	0.6
109.10165	0.5
111.61664	0.4
119.08606	1.6
121.10123	2.7
127.03947	1.3
129.07016	0.9
131.08574	1.8
133.10153	1.1
142.07890	0.4
147.11722	1.8
149.09570	2.1
157.10153	2.1
175.11243	0.8
185.04332	0.5
191.25249	0.3
193.12198	1.8
199.95633	0.3
207.13972	0.4
225.14955	1.0
242.44687	0.4
243.08383	2.1
267.16025	1.0
283.15155	6.0
318.00446	0.4
339.18008	1.4
441.20999	0.5
469.20746	1.1
501.23071	26.6
502.23148	1.4
534.21106	0.4
599.34381	0.9
761.39264	100.0
762.39709	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	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01866	0.6
55.05515	1.5
57.03428	1.7
61.02933	4.7
65.03952	0.3
67.05507	2.9
69.03439	2.3
69.07078	1.5
70.66861	0.4
71.01360	0.4
71.04991	0.6
73.02922	3.6
79.05499	3.4
81.03436	2.1
81.07058	3.0
83.04980	0.7
83.08637	1.0
85.02914	4.2
86.23044	0.3
91.03949	2.3
91.05474	3.6
93.07048	4.8
93.27433	0.3
95.04995	1.2
95.08599	2.3
96.45762	0.3
97.02896	3.6
97.06567	0.3
97.10174	0.4
99.04465	0.9
101.02393	1.6
103.03937	0.5
105.04552	0.4
105.07040	2.4
107.08580	2.6
109.02901	0.4
109.06557	0.4
109.10180	0.7
117.07038	1.3
119.08600	2.8
121.06589	0.3
121.10146	1.8
123.08080	0.5
127.03889	1.5
129.05560	0.4
129.06972	0.4
131.08583	1.2
133.10139	1.7
135.11699	1.5
143.08601	0.6
143.67838	0.3
145.10126	1.6
147.11713	1.3
149.13350	0.4
157.10176	0.5
159.11746	0.6
161.13297	0.7
163.11130	1.5
165.50961	0.3
171.11664	0.5
173.13322	0.4
184.07458	0.4
185.04338	0.7
203.05328	0.3
243.08426	2.7
249.11006	0.8
259.20444	0.7
283.15546	0.5
301.09128	0.7
333.24606	0.3
374.23422	0.4
465.20908	1.4
467.18875	4.9
535.28845	6.5
536.28967	0.4
539.21509	0.4
546.38855	0.6
736.14288	0.4
761.40784	100.0
762.41119	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	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01872	0.7
55.05516	2.2
55.98222	0.3
57.03436	2.2
57.57426	0.3
60.08159	0.3
61.02930	6.8
65.03955	0.4
67.05509	6.6
68.05836	0.4
69.03431	3.8
69.03757	0.3
69.07076	1.5
71.01357	0.3
71.04992	0.8
71.07362	0.3
73.02918	5.1
73.03291	0.4
79.05497	4.2
81.03425	3.1
81.07061	5.7
81.07500	0.4
82.07336	0.3
83.04980	0.8
83.08644	0.8
85.02914	5.7
85.06551	0.3
86.09722	1.1
87.04510	0.5
91.03958	3.4
91.04417	0.3
91.05472	3.4
93.07047	5.3
94.07372	0.3
95.04995	0.9
95.08616	4.6
97.02897	5.4
97.03502	0.5
97.06573	0.7
97.10165	0.4
98.23527	0.4
99.00832	0.4
99.04482	1.2
101.02383	1.8
103.03983	0.5
105.07027	2.3
107.04959	0.4
107.08595	2.0
109.02909	1.0
109.06592	0.5
109.10168	2.2
111.08087	0.5
115.03973	0.8
116.32874	0.2
117.07047	0.9
119.08599	1.4
120.00098	0.3
121.06486	0.3
121.10143	2.4
123.11744	0.5
125.00060	0.5
127.03931	2.1
129.07031	0.5
131.08600	1.1
133.10135	2.2
135.11708	1.3
145.10127	0.6
147.11679	0.6
149.13289	0.4
151.11166	0.4
157.10146	0.2
159.11725	0.4
161.09645	0.8
179.10693	0.3
184.07332	3.6
185.04254	0.5
187.14941	0.3
189.09218	0.3
193.12347	0.6
243.08459	1.2
261.22321	0.3
265.10547	1.0
267.16058	1.0
271.15286	0.3
324.91827	0.3
335.25882	1.3
336.26080	0.4
337.27365	0.6
359.71301	0.3
374.23285	0.6
483.18454	3.0
519.29303	7.5
529.39301	0.5
545.38763	0.4
546.38885	0.9
599.35059	0.4
613.34747	0.3
640.94098	0.3
672.42395	0.3
761.40778	100.0
762.41010	9.1
782.57391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01873	0.5
55.05513	1.7
57.03440	2.0
57.07063	0.4
61.02928	4.4
66.32703	0.3
67.05507	6.4
69.03429	2.2
69.07074	1.3
69.16500	2.2
71.04975	0.4
72.23065	0.3
73.02913	3.6
77.99803	0.4
79.05503	3.7
81.03419	3.3
81.07063	5.6
83.04988	0.8
83.08625	1.5
85.02910	4.5
86.09721	1.1
87.04465	0.5
91.03964	2.7
91.05487	3.8
93.07040	4.1
94.07388	0.5
95.04969	1.4
95.08611	4.4
97.02896	3.9
97.06558	0.5
97.10175	0.5
99.00822	0.4
99.04469	1.1
99.08097	0.4
101.02377	2.1
105.07027	2.3
107.04960	0.8
107.08605	2.4
109.02918	1.2
109.06509	0.7
109.10165	2.0
111.08105	0.4
115.03949	0.6
117.07059	0.4
119.08585	1.7
121.06525	0.8
121.10178	1.9
123.11704	0.6
125.00000	0.7
127.03941	1.7
131.08609	1.0
133.10138	3.0
135.11723	1.7
145.10141	0.8
147.11702	0.9
151.11200	0.7
159.11716	0.7
161.09642	0.9
175.11237	0.5
179.10753	0.6
184.07355	2.4
185.04280	0.4
185.24521	0.4
189.09196	0.7
193.12366	0.5
204.13701	0.4
211.13441	0.3
225.11287	0.9
243.08366	0.9
259.08240	0.4
265.10461	0.9
267.15906	1.9
270.63751	0.4
321.13031	0.5
335.25946	1.3
336.26212	0.9
337.27499	1.2
472.87631	0.5
483.18311	5.5
519.29492	3.8
529.38977	1.3
545.38055	0.6
546.38739	1.0
547.39752	1.2
557.52118	0.4
599.35748	0.7
717.42731	0.6
761.40796	100.0
762.40961	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	761.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05031	0.3
67.05506	0.6
69.03429	0.4
70.06579	0.3
79.05486	1.4
80.04988	0.4
81.07055	7.7
81.21796	0.2
82.06580	0.3
83.07383	0.4
84.08147	2.4
91.05481	0.6
93.07066	0.7
95.08591	0.7
96.08114	1.4
97.02925	0.3
97.08929	1.3
105.07021	0.5
107.08592	0.3
108.08090	0.2
109.06525	2.5
110.09685	2.7
121.06532	0.3
121.10136	0.7
122.09634	0.4
123.04472	0.3
124.11252	0.4
131.08582	0.4
134.09698	0.2
136.11211	3.1
137.05975	8.3
138.12773	21.8
139.13145	0.2
150.09227	0.3
150.12782	1.4
150.13780	0.2
151.13583	1.2
152.10735	0.2
162.12799	0.5
164.14371	2.8
167.13708	0.3
168.10126	0.4
172.15703	0.2
176.14386	0.3
178.15988	0.3
182.11743	0.5
192.17522	0.4
194.11913	0.4
222.14911	0.3
234.14832	0.3
236.16492	0.9
238.17957	0.5
249.11174	0.3
262.18018	2.2
276.19559	1.8
300.19653	1.6
356.22363	0.4
358.20129	0.5
372.21597	0.3
374.23285	100.0
375.19522	0.3
375.23624	4.8
388.21060	1.5
404.20883	0.4
423.73312	0.2
761.31158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28836	0.1
55.05505	0.2
56.05043	0.3
65.03931	0.1
67.05494	0.4
69.03422	0.5
70.06587	0.4
71.75407	0.1
75.20925	0.1
77.78346	0.1
79.05492	1.3
79.43082	0.1
80.05015	0.2
81.07056	7.0
82.06583	0.4
83.07330	0.1
84.04517	0.1
84.08143	2.3
91.05476	0.3
93.07036	1.0
94.06570	0.3
95.08612	0.9
96.08134	1.3
97.08910	1.6
100.02183	0.1
105.07004	0.3
107.08597	0.2
108.08136	0.3
109.06516	2.4
110.09678	2.5
111.08067	0.1
119.08591	0.2
120.08107	0.2
121.06519	0.2
121.10159	0.5
122.09672	0.5
123.04421	0.2
123.10439	0.2
124.11278	0.2
125.05969	0.2
131.08531	0.2
133.10167	0.1
134.09668	0.3
135.10432	0.2
136.11220	4.2
136.12250	0.3
137.05977	6.5
137.11903	0.2
138.06314	0.1
138.12775	17.8
139.13133	0.2
145.10123	0.1
146.07050	0.1
148.11192	0.5
150.09178	0.2
150.12785	2.6
151.13564	2.6
162.12724	0.6
163.13560	0.2
164.14349	5.3
165.14905	0.2
168.10132	0.2
174.12756	0.3
176.10657	0.1
176.14378	0.5
182.11769	0.5
188.14459	0.1
190.15970	0.1
192.17467	0.5
194.11740	0.4
196.13376	0.2
199.78429	0.1
202.12320	0.2
204.14113	0.1
217.14731	0.1
218.15479	0.1
222.14937	0.4
235.15416	0.2
236.16415	1.0
237.17020	0.2
238.18077	0.4
241.12260	0.2
244.16862	0.2
262.18030	4.7
274.18179	0.3
300.19580	2.5
300.22861	0.2
325.14331	0.2
328.22769	0.3
346.23788	0.2
356.22238	0.7
373.22510	0.1
374.23242	100.0
375.23575	3.4
376.50076	0.1
388.21198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05508	0.2
56.00170	0.1
56.05022	0.6
63.86228	0.1
67.05497	0.7
69.03426	0.5
70.06599	1.0
79.05491	1.2
80.05016	0.3
80.48038	0.1
81.03429	0.2
81.07056	4.3
82.06573	0.6
83.07359	0.2
84.08147	2.2
85.06463	0.1
86.09686	0.2
90.97176	0.1
91.05479	0.7
93.07049	1.4
94.06576	0.4
95.04979	0.2
95.08605	1.1
96.08134	1.1
97.06612	0.2
97.08914	0.9
98.06052	0.2
98.09633	0.2
105.07021	1.0
107.08604	0.7
108.08116	0.3
109.02917	0.3
109.06518	1.6
109.10148	0.2
110.09691	1.7
111.10345	0.2
117.07050	0.2
119.08548	0.7
120.08078	0.3
121.06519	0.3
121.08892	0.2
121.10111	0.8
122.09671	1.0
123.04430	0.2
123.08071	0.3
123.10434	0.4
123.11746	0.2
124.07578	0.2
124.11219	0.5
125.06007	0.4
127.03956	0.2
131.08560	0.6
133.06529	0.2
133.10117	0.5
134.09642	0.4
135.08076	0.2
136.11223	2.3
137.05972	3.2
138.12776	8.4
139.07555	0.6
140.06998	0.2
143.08525	0.2
145.10123	0.4
146.06004	2.2
146.09625	0.3
147.11702	0.7
148.11269	0.3
149.09644	0.4
150.09120	0.8
150.12796	0.8
151.07539	0.5
151.13557	0.9
157.10123	0.3
159.08069	0.1
159.11729	0.3
162.12819	0.6
163.11156	0.2
164.10619	0.2
164.14352	1.7
165.98485	0.1
168.10214	0.6
169.10028	0.1
171.11700	0.2
176.14310	0.2
177.09105	0.2
182.11833	0.4
184.13351	0.2
185.13197	0.2
186.12611	0.2
192.06609	1.0
192.17531	0.2
194.11760	0.2
196.13394	0.7
201.40486	0.2
204.13744	0.3
210.14911	0.7
218.15308	0.1
222.14893	0.6
223.64105	0.1
229.14362	1.2
234.14963	0.4
236.16382	1.0
238.17923	0.2
260.16345	0.2
262.18066	2.0
274.17981	0.2
276.19641	0.2
286.17917	0.2
300.19604	1.9
328.22903	0.3
346.23898	0.5
355.17303	0.4
356.22247	0.5
372.21423	0.2
374.23251	100.0
375.23596	3.4
378.61188	0.2
388.21121	0.6
397.18326	0.1
449.17166	0.2
455.09729	0.1
725.32153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05031	0.3
67.05506	0.6
69.03429	0.4
70.06579	0.3
79.05486	1.4
80.04988	0.4
81.07055	7.7
81.21796	0.2
82.06580	0.3
83.07383	0.4
84.08147	2.4
91.05481	0.6
93.07066	0.7
95.08591	0.7
96.08114	1.4
97.02925	0.3
97.08929	1.3
105.07021	0.5
107.08592	0.3
108.08090	0.2
109.06525	2.5
110.09685	2.7
121.06532	0.3
121.10136	0.7
122.09634	0.4
123.04472	0.3
124.11252	0.4
131.08582	0.4
134.09698	0.2
136.11211	3.1
137.05975	8.3
138.12773	21.8
139.13145	0.2
150.09227	0.3
150.12782	1.4
150.13780	0.2
151.13583	1.2
152.10735	0.2
162.12799	0.5
164.14371	2.8
167.13708	0.3
168.10126	0.4
172.15703	0.2
176.14386	0.3
178.15988	0.3
182.11743	0.5
192.17522	0.4
194.11913	0.4
222.14911	0.3
234.14832	0.3
236.16492	0.9
238.17957	0.5
249.11174	0.3
262.18018	2.2
276.19559	1.8
300.19653	1.6
356.22363	0.4
358.20129	0.5
372.21597	0.3
374.23285	100.0
375.19522	0.3
375.23624	4.8
388.21060	1.5
404.20883	0.4
423.73312	0.2
761.31158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05505	0.9
56.05027	0.2
57.03448	0.2
57.07057	0.2
59.04988	0.2
61.02907	0.2
61.25745	0.1
65.03926	0.3
67.05507	2.8
68.05023	0.2
69.03429	6.0
69.07063	0.6
70.06592	2.1
70.47649	0.4
71.04988	0.4
79.05492	0.8
80.05001	0.4
81.03410	0.8
81.07046	1.3
82.06594	0.9
83.01329	0.4
83.04971	0.5
83.07362	0.6
83.08620	0.6
84.08134	1.7
85.02897	0.3
86.06060	0.3
91.05475	1.2
93.07043	1.1
94.06570	0.3
95.04974	0.5
95.07323	0.2
95.08611	0.7
96.08126	0.9
97.02933	0.2
97.10156	0.2
98.06043	0.2
98.09709	0.3
99.04468	0.3
100.11261	0.3
101.05998	0.2
105.07027	1.4
107.04968	0.4
107.08584	0.8
108.08100	0.5
109.06490	0.4
109.08980	0.2
109.10159	0.9
110.09673	3.4
112.07556	0.2
115.04004	0.2
115.05404	0.2
117.07025	0.4
119.04942	0.4
119.08577	0.6
120.08080	0.5
121.06534	0.7
121.10171	0.3
122.09641	0.4
123.04466	0.2
123.08056	0.6
124.07604	0.2
124.11230	0.3
125.05948	0.3
125.09608	0.3
126.12792	4.6
127.03925	0.8
128.06221	0.4
129.06963	0.2
131.08553	0.4
133.06487	0.5
133.10155	0.4
134.09627	0.6
135.08044	0.3
135.10440	0.2
135.11766	0.2
136.11200	0.4
137.05989	0.6
138.09138	4.8
138.10155	0.3
138.12770	1.7
139.07558	0.2
140.14322	1.4
141.05493	0.3
141.07068	0.2
143.08548	0.5
144.51311	0.2
145.06439	0.3
145.10112	0.8
147.04413	0.2
147.08043	0.2
147.11696	0.2
148.11131	0.2
149.06001	0.5
149.09621	0.3
150.09077	0.3
151.07526	0.5
151.11156	0.2
152.14333	0.2
153.05463	0.3
155.03352	0.4
155.07056	0.4
155.08525	0.1
157.10117	0.2
158.07263	0.2
159.08078	0.5
159.11693	0.2
161.05989	0.3
161.09641	0.4
162.12788	0.4
163.07503	0.3
163.11166	0.3
164.14314	0.2
165.05455	0.3
165.09091	0.4
166.15927	0.5
167.07040	0.5
171.08069	0.4
173.06024	0.2
173.09599	0.9
174.09975	0.2
175.07524	0.4
176.14427	0.3
177.09077	0.2
177.82303	0.2
179.07042	0.8
181.08636	1.0
183.06580	0.6
186.12643	0.1
187.07590	0.4
187.11139	0.4
188.11462	0.2
189.09167	0.3
190.15900	0.4
191.07014	0.2
192.17474	0.3
193.08656	0.1
197.09593	0.2
204.13776	0.5
205.08659	0.3
205.12282	0.2
205.14604	0.2
207.06448	0.9
207.10094	0.2
209.15331	0.4
215.10706	0.5
216.10194	0.2
217.08571	0.4
221.08191	0.2
221.11708	0.2
229.08562	0.2
232.17181	0.2
233.07999	0.2
233.11884	0.3
235.09700	0.3
244.09624	0.2
246.18732	0.2
247.09668	1.4
249.11214	4.3
254.17683	0.2
256.16949	0.2
258.14798	0.2
262.18042	0.4
267.16022	0.2
273.11206	0.7
275.12778	0.6
276.12311	1.7
278.13831	0.2
302.13956	0.4
316.19025	1.2
344.18607	0.2
357.47223	0.2
358.20435	0.3
359.20877	0.5
360.21661	0.2
374.23239	100.0
375.23633	3.6
388.21155	14.8
388.26590	0.2
389.21497	0.7
468.97693	0.2
478.28452	0.4
536.47992	0.2
581.34961	0.2
598.35986	0.2
599.35809	0.5
718.24939	0.2
743.39929	0.4
744.40900	0.5
761.32648	1.4
761.42700	1.3
762.43921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01864	1.1
55.05512	3.1
57.03434	4.3
57.84460	0.5
61.02928	8.0
65.03944	0.7
67.05508	6.1
68.05033	4.5
69.03432	7.1
69.05820	1.7
69.07068	2.2
70.06593	65.7
71.01345	1.1
71.04993	2.8
71.06931	0.8
72.08160	2.0
73.02922	6.9
79.05496	6.6
80.05032	1.8
81.03419	8.6
81.07063	8.1
82.06586	3.2
83.01339	0.7
83.05002	2.8
83.05447	0.6
83.07373	2.0
83.08629	2.3
84.08157	2.5
85.02908	14.6
85.06571	0.6
86.06060	0.5
87.04480	1.1
91.03956	3.1
91.05485	6.8
93.07056	4.2
95.04962	3.9
95.08624	4.0
96.08155	1.5
97.02896	8.3
97.06542	1.5
97.08960	0.9
97.10179	1.0
98.06013	0.9
98.09711	1.6
99.04466	1.9
101.02394	2.1
105.04529	0.7
105.07040	5.1
106.06570	1.1
106.53703	0.5
107.04980	1.9
107.08592	2.3
108.08158	0.8
109.02893	1.1
109.06516	1.6
109.10180	1.7
110.09705	1.3
111.04464	0.6
111.08116	1.1
115.03951	1.0
115.05490	0.5
117.07036	0.9
119.04963	1.3
119.08553	3.1
120.08102	1.2
121.06528	2.0
121.10154	1.9
123.04443	0.9
123.08083	1.1
123.11712	0.8
124.07586	0.8
126.09171	2.6
127.03944	2.1
129.07019	1.9
131.08556	2.3
133.06546	2.2
133.10147	2.2
135.08145	0.8
136.07607	1.3
136.11188	0.8
137.05994	2.1
137.09618	0.8
142.07762	0.6
142.08702	0.9
145.05009	1.1
145.10126	0.9
147.04475	0.8
147.08051	1.1
147.11668	3.0
149.09683	1.5
150.09189	0.5
150.12787	0.6
151.03932	1.3
151.07591	0.6
157.10117	4.9
159.11876	0.5
161.06024	0.5
162.12816	0.6
163.03920	0.7
164.07076	0.8
165.09198	1.9
167.07010	0.7
173.09613	1.0
175.11203	13.9
181.05000	0.8
189.09131	0.5
191.07079	0.6
193.12241	3.6
194.15514	0.4
203.56270	0.5
204.13850	0.7
208.17090	1.6
211.13373	2.1
221.07895	0.5
226.18118	2.0
236.16460	9.0
238.17992	8.6
238.20158	0.6
254.17508	19.0
256.19101	3.1
259.13370	1.8
280.19217	1.9
285.17029	1.8
287.13950	0.6
298.20096	4.7
300.53036	0.5
310.20120	4.1
312.21756	1.3
328.21140	2.3
330.22754	1.6
354.22803	1.5
374.23306	5.3
375.23550	3.9
388.21310	2.2
389.22067	0.9
442.90094	0.5
492.32642	0.6
510.34305	0.6
520.32617	1.1
522.34406	0.6
538.25287	0.8
538.33710	26.8
539.34351	1.6
540.35254	3.7
582.36383	28.5
583.36755	1.3
697.99835	0.5
700.39056	6.6
701.39886	0.6
726.40643	1.4
732.35400	0.5
744.41620	100.0
745.41931	7.6
762.44165	10.7
763.43268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01864	2.4
55.05514	13.1
56.05835	1.0
57.03441	10.4
57.07076	3.8
60.08153	5.2
61.02918	3.6
65.03934	2.0
67.05506	45.0
69.03422	4.5
69.07063	20.3
69.44550	3.9
70.06589	1.3
71.04970	2.3
71.07365	4.0
71.08652	1.6
73.02914	3.1
74.73663	1.0
79.05490	19.8
81.03419	58.3
81.07059	49.0
81.07552	1.6
83.04983	4.4
83.08618	17.3
85.02909	5.6
85.06563	2.2
86.09708	27.2
91.03963	2.2
91.05479	23.8
93.07048	20.4
93.07599	1.4
95.04969	20.9
95.08605	30.8
96.17801	0.9
97.02899	6.4
97.06551	4.8
97.10174	9.3
98.98470	3.9
99.04433	1.1
99.08073	1.7
101.02392	1.6
104.10779	1.4
105.04531	1.6
105.07029	15.7
107.04958	4.5
107.08588	11.9
108.06645	0.9
109.02898	1.5
109.06544	3.1
109.10154	14.9
111.04452	1.9
111.08069	5.7
111.11800	1.4
117.07047	2.1
119.08569	12.4
121.06507	2.8
121.10165	11.6
123.04417	2.2
123.08040	2.0
123.11696	7.0
125.00002	18.6
125.09650	2.5
129.06990	5.9
131.08589	7.9
133.06511	1.9
133.10136	8.0
135.11679	6.1
137.09593	2.7
137.13268	1.6
145.10120	3.5
147.08035	1.8
147.11696	8.1
149.09657	3.6
149.13232	2.2
151.11249	1.5
157.10126	7.3
159.11655	1.4
161.13260	3.4
163.11221	3.0
163.14738	1.4
165.12738	1.6
175.11168	5.2
175.14838	2.1
184.07343	100.0
189.11176	1.1
193.12251	15.6
211.13326	1.6
227.12764	3.5
235.13329	1.1
245.22813	2.0
249.14781	1.6
259.13275	1.1
263.23776	4.3
267.15921	74.0
268.16351	1.9
285.17065	1.8
295.34744	1.1
301.14093	1.1
309.16742	1.8
337.27371	70.0
338.27692	2.1
386.56946	1.3
394.58423	1.1
421.25528	1.2
435.27145	2.3
437.34308	1.7
455.35220	4.3
467.19006	1.9
473.36276	2.6
519.29132	3.6
520.29224	1.5
529.38855	54.2
530.39331	3.9
547.39905	44.0
548.40198	1.8
565.41010	2.9
571.39624	3.1
637.40533	1.3
656.31531	1.3
712.45728	8.9
745.40753	2.8
762.40613	19.4
763.41614	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
59.34827	0.4
61.02932	0.6
67.05504	1.0
69.03421	1.2
69.07067	0.5
69.33021	2.3
70.06595	4.1
72.35182	0.5
73.02910	0.8
79.05491	0.9
81.03419	1.0
81.07054	1.0
82.49516	0.4
83.97625	0.5
85.02904	1.2
91.04018	0.4
91.05482	1.0
93.07030	0.7
95.04967	0.5
95.08595	0.5
97.02893	0.9
97.06533	0.4
98.23417	0.8
105.07035	1.4
109.10159	0.4
119.08610	0.7
121.06531	1.2
121.10112	0.5
131.08578	0.6
133.10188	0.5
135.11699	0.5
145.10114	0.9
149.09702	0.4
159.11693	0.6
179.06985	0.5
205.12331	0.7
207.16428	0.5
215.10721	0.9
233.11958	0.7
267.09137	0.6
374.23547	1.2
375.23685	1.4
462.03116	0.5
463.14972	0.6
485.19742	0.6
501.23309	1.5
503.20715	0.6
719.31238	0.7
745.36432	0.6
763.35187	100.0
764.35797	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	763.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
55.01885	0.7
55.05532	1.2
57.03439	1.8
59.05032	1.0
61.02926	3.8
67.05505	5.9
69.03429	3.2
69.07114	1.1
70.06597	6.4
71.01392	0.6
71.05034	1.3
73.02922	2.7
79.05502	2.4
81.03417	3.9
81.07063	3.9
81.07483	0.3
83.05022	0.8
83.08661	1.0
85.02902	4.7
85.06562	0.7
86.06129	0.6
86.09731	0.5
87.04512	0.8
91.03959	2.6
91.05468	2.4
93.07038	1.8
93.92754	0.3
95.04961	1.6
95.08657	1.4
97.02887	3.3
97.06593	1.0
97.10243	0.4
98.06118	1.1
99.04510	1.2
101.02444	1.4
103.04031	0.4
105.07043	2.0
107.04982	0.4
107.08662	1.3
109.02935	1.2
109.06602	0.5
109.10155	5.7
111.04493	0.5
111.08144	0.8
115.03992	1.0
116.10721	0.5
119.08591	1.6
120.08183	0.4
121.06575	0.6
121.10124	1.8
123.08140	0.6
123.11828	0.5
125.06017	0.4
126.05601	0.9
127.03153	0.3
127.03990	1.5
129.05508	0.3
129.07018	0.5
131.08611	0.9
133.10193	1.4
135.04401	0.3
135.11757	0.5
137.09755	0.4
145.05049	0.8
145.10149	0.6
147.11757	1.0
149.09555	1.7
155.10713	0.7
157.10234	0.8
163.11334	0.5
165.12956	0.5
173.11725	1.9
175.11319	1.1
185.04286	0.6
187.07611	0.4
193.12352	1.3
195.09985	0.8
195.11465	0.4
203.05345	0.5
213.12473	0.8
214.18137	0.5
229.14345	1.8
243.08403	2.4
253.14171	0.4
267.16110	1.4
283.15140	4.9
283.17706	0.3
305.46924	0.4
339.17990	1.2
406.22110	0.4
407.22934	0.7
413.17828	15.1
414.18527	0.6
445.29858	0.4
454.25757	0.5
461.32922	0.5
469.20688	0.8
483.22360	0.4
485.20132	0.4
501.23032	15.0
502.23557	1.0
511.29120	0.6
516.35529	0.7
616.34949	0.5
659.31897	2.0
673.34045	100.0
674.34210	6.0
717.36035	0.6
745.34344	0.7
763.36920	28.3
764.37097	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	763.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.03444	1.5
57.07071	0.4
61.02932	1.6
67.05505	4.0
67.08947	0.3
68.05852	0.4
69.03427	0.7
69.07077	1.8
69.07397	0.3
69.67384	1.1
70.06603	0.9
73.02912	1.4
73.32743	0.2
76.44808	0.3
76.59132	0.2
79.05499	2.6
81.03427	3.8
81.07056	4.1
81.07520	0.4
82.03775	0.5
83.05003	0.5
83.08620	1.7
85.02921	2.0
86.09720	1.5
91.03966	0.8
91.05480	1.9
93.07057	2.1
95.04965	1.6
95.08624	3.3
97.02900	1.7
97.06553	0.6
97.10210	0.5
105.07056	1.3
107.04968	0.5
107.08600	1.2
109.02905	0.3
109.10169	1.3
117.07020	0.3
119.08570	1.3
121.10178	1.1
123.11729	0.5
124.44448	0.3
125.00014	0.7
129.07005	0.5
131.08580	0.9
133.10190	0.5
135.11717	0.6
138.14938	0.3
141.99443	0.3
145.10117	0.3
146.98221	0.4
147.11697	0.7
149.13211	0.3
163.11230	0.5
184.07347	3.5
185.07718	0.4
193.12279	0.5
194.12576	0.3
230.56618	0.3
243.08400	0.4
249.11061	0.3
267.15930	4.0
268.16211	2.1
335.25888	0.6
337.27393	2.9
338.27640	2.3
441.17300	0.4
454.26016	0.3
467.19165	0.6
485.19388	0.9
490.35648	0.3
519.29150	1.8
529.38684	1.4
530.39343	2.8
535.26886	0.5
547.40063	1.0
548.40277	2.7
614.35083	0.5
618.47882	0.3
673.42047	0.6
745.41797	1.6
759.10455	0.3
763.40741	100.0
764.41064	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	763.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
53.62287	0.3
55.05525	1.6
57.03433	1.3
61.02930	1.4
67.05503	4.0
69.03428	0.7
69.07078	1.4
71.05014	0.3
73.02918	0.7
79.05497	2.6
81.03420	4.6
81.07055	4.5
81.07503	0.4
82.03799	0.4
83.04982	0.5
83.08629	1.4
85.02909	1.3
86.09696	0.4
91.03967	0.9
91.05476	1.7
93.07066	2.0
94.07403	0.4
95.04987	1.3
95.08609	2.9
97.02881	1.6
97.06532	0.5
98.22614	0.7
101.02397	0.7
105.07024	1.6
107.04988	0.5
107.08607	0.9
109.10183	1.1
111.08068	0.6
117.07025	0.5
119.08609	1.2
121.10172	1.0
123.11702	0.4
124.99992	0.6
131.08575	0.9
133.10161	0.9
135.11726	0.5
147.11687	0.8
157.10104	0.5
163.11217	0.7
175.11148	0.5
184.07324	3.2
193.12303	1.0
211.06464	0.3
221.76315	0.3
243.08629	0.4
267.09036	0.4
267.15924	3.4
268.16260	1.7
337.27438	3.0
338.27692	1.6
361.20541	0.4
467.19357	0.7
485.17838	0.9
519.29645	1.7
529.38525	1.6
530.39099	2.7
547.39972	1.1
548.40192	2.3
713.45624	0.5
745.41235	1.7
763.40601	100.0
764.40863	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33530	0.5
53.87401	0.6
54.18755	0.6
55.05523	1.1
56.17093	0.6
57.03432	0.7
59.54752	0.7
61.02915	1.2
65.92400	0.5
67.05501	2.7
69.07083	0.6
69.15050	0.6
69.22643	2.9
70.06599	1.7
70.56380	0.6
73.02901	1.2
73.48856	0.6
79.05530	1.3
81.03418	2.0
81.07057	2.6
83.08630	1.0
85.02904	1.8
91.05497	1.2
93.07069	1.5
95.04960	1.0
95.08610	1.7
97.02895	1.1
105.07061	1.3
107.08622	0.8
109.02919	0.7
118.14405	0.7
119.08578	0.9
121.10107	0.9
132.51691	0.6
135.11696	0.7
184.07356	1.2
197.20915	0.6
232.99689	0.7
259.58224	0.6
267.15988	0.9
268.16364	1.0
281.54761	0.7
534.38861	0.8
606.94720	0.7
627.17090	0.7
763.40491	100.0
764.40979	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	763.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33530	0.5
53.87401	0.6
54.18755	0.6
55.05523	1.1
56.17093	0.6
57.03432	0.7
59.54752	0.7
61.02915	1.2
65.92400	0.5
67.05501	2.7
69.07083	0.6
69.15050	0.6
69.22643	2.9
70.06599	1.7
70.56380	0.6
73.02901	1.2
73.48856	0.6
79.05530	1.3
81.03418	2.0
81.07057	2.6
83.08630	1.0
85.02904	1.8
91.05497	1.2
93.07069	1.5
95.04960	1.0
95.08610	1.7
97.02895	1.1
105.07061	1.3
107.08622	0.8
109.02919	0.7
118.14405	0.7
119.08578	0.9
121.10107	0.9
132.51691	0.6
135.11696	0.7
184.07356	1.2
197.20915	0.6
232.99689	0.7
259.58224	0.6
267.15988	0.9
268.16364	1.0
281.54761	0.7
534.38861	0.8
606.94720	0.7
627.17090	0.7
763.40491	100.0
764.40979	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	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05513	1.1
57.03437	1.7
57.07064	0.4
57.64236	0.4
61.02930	4.6
62.35322	0.4
65.03951	0.4
67.05496	3.3
69.03424	2.4
69.07077	1.2
69.70355	0.4
69.70706	0.9
70.06599	0.7
71.04991	0.6
73.02917	3.5
79.05491	3.8
81.03410	2.3
81.07060	3.0
83.05003	0.4
83.08636	1.0
85.02906	4.4
85.54288	0.3
91.03964	2.7
91.05478	2.8
93.07047	3.7
93.74841	0.3
95.05001	1.0
95.08605	2.7
97.02900	2.9
97.06559	0.4
99.04498	0.5
101.02380	1.7
105.04515	0.5
105.07040	3.5
107.08583	2.0
109.02921	0.6
109.06534	0.4
109.10246	0.8
117.07032	0.8
119.08578	2.3
121.10175	0.8
127.03926	1.5
129.07004	0.7
131.08623	1.1
133.10104	1.7
135.11707	1.0
143.08582	0.5
145.10156	0.6
147.11739	1.5
149.09671	0.6
157.10176	0.8
175.11234	0.5
175.14961	0.5
185.04239	0.6
185.13284	0.5
193.12230	0.5
200.82118	0.3
243.08441	2.8
251.12636	1.2
259.20593	0.6
294.14279	0.4
301.09088	1.2
315.10599	0.6
317.20795	0.4
374.84940	0.4
397.18689	0.5
443.19183	0.4
465.21353	0.7
469.20465	5.4
535.28741	7.5
541.22833	0.9
734.68805	0.4
738.40894	0.4
759.82990	0.4
763.42310	100.0
764.42749	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01866	0.7
55.05523	1.3
55.24834	0.3
57.03441	2.1
59.05038	0.3
61.02931	4.8
65.03938	0.4
67.05506	3.1
69.03439	3.4
69.07063	0.8
70.06591	0.3
71.01351	0.4
71.04990	0.7
73.02921	3.5
77.03904	0.3
79.05498	3.6
81.03416	4.0
81.07065	3.5
83.04999	0.8
83.08628	1.2
85.02909	6.2
85.06551	0.3
85.12733	0.3
91.03967	3.1
91.05476	4.0
91.06051	0.3
93.07050	4.0
95.04974	2.0
95.08620	1.6
97.02895	4.2
97.06557	0.5
98.23509	0.6
99.04468	1.0
100.76209	0.3
101.02393	1.9
103.03955	0.3
105.07033	3.4
106.10118	0.3
107.04965	0.3
107.08597	1.3
109.02926	0.7
109.06496	0.3
109.10181	0.9
111.08085	0.4
115.03989	0.5
117.07028	0.4
119.08593	2.4
121.10155	1.5
123.08098	0.5
127.03939	1.2
129.05522	0.4
129.07025	1.0
131.08557	1.3
133.10104	2.0
135.11700	0.7
142.07913	0.3
145.05008	0.3
145.10150	0.7
147.11642	1.8
149.09650	0.4
149.46124	0.3
157.10120	1.6
159.11734	0.4
173.13335	0.4
175.11232	0.7
185.04181	1.4
193.12309	1.6
199.07196	0.3
201.03777	0.4
203.05420	0.4
211.13364	0.6
243.08412	3.7
244.08997	0.3
251.12679	1.0
251.99846	0.3
259.20621	0.4
285.17007	0.4
301.08908	1.3
307.15060	0.4
313.08954	0.5
315.10474	0.7
317.20905	0.5
341.12357	0.3
349.16330	0.3
371.16803	0.4
373.11099	0.4
383.17050	0.4
385.18378	0.4
443.18881	0.4
465.21442	0.6
469.20462	12.1
470.20953	0.5
535.28766	5.0
541.22607	1.8
625.32117	0.5
763.42328	100.0
764.42566	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.06923	0.3
55.01867	0.6
55.05512	2.0
55.22818	0.4
57.03443	2.1
61.02929	5.4
67.05508	6.1
69.03431	4.1
69.07076	2.1
71.01357	0.8
71.04999	0.5
73.02914	4.8
79.05505	3.6
81.03425	3.3
81.07056	5.5
83.04999	0.5
83.08641	1.1
85.02910	5.9
85.06532	0.5
91.03963	4.4
91.05484	2.5
93.07049	4.8
95.04990	1.3
95.08618	4.3
97.02891	5.9
97.06552	0.5
97.10226	0.4
99.04471	1.1
101.02360	1.8
103.03951	0.4
105.07062	1.6
107.05007	0.4
107.08593	2.4
109.02920	1.3
109.06588	0.3
109.10156	2.4
115.03958	0.4
117.07030	0.8
119.08598	1.5
121.10150	2.3
123.08116	0.4
123.11747	0.4
127.03956	2.0
131.08601	0.9
133.10178	0.8
135.11690	1.7
138.23166	0.4
145.04977	0.6
145.10181	0.9
147.11739	0.7
149.13231	0.7
153.12749	0.4
155.88553	0.4
163.11263	1.2
185.04268	0.6
197.97484	0.4
203.05342	0.7
209.11702	0.4
224.02245	0.3
225.40518	0.3
243.08296	1.8
257.13971	0.3
267.12064	2.3
267.16034	0.9
335.25906	0.9
337.27319	0.9
441.17224	3.3
485.19977	2.9
519.29272	8.6
529.38965	0.5
530.39502	0.7
548.40576	0.5
548.89587	0.4
719.39362	2.6
745.41339	0.9
763.42340	100.0
764.30127	0.3
764.42657	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	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01868	0.5
55.05512	2.1
57.03436	2.2
61.02924	4.5
64.50831	0.3
67.05503	6.2
69.03436	3.1
69.07059	2.0
70.06573	0.5
71.04988	0.7
73.02915	3.8
79.05496	4.0
81.03417	4.8
81.07051	5.8
82.03771	0.5
82.07405	0.4
83.04996	1.0
83.08615	1.7
85.02905	4.9
85.06544	0.5
86.09724	0.7
91.03956	3.1
91.05476	2.5
92.21451	0.3
93.07030	3.6
93.32398	0.4
95.04968	2.0
95.08599	3.9
96.08947	0.3
97.02890	4.3
97.06526	0.4
97.10188	0.5
99.04468	0.7
101.02385	1.8
103.03963	0.7
105.07051	1.4
107.04951	0.6
107.08578	2.1
108.44852	0.3
109.02902	0.8
109.06571	0.4
109.10119	2.0
111.04446	0.6
111.08118	0.7
115.03964	0.4
117.07062	0.6
119.08583	1.8
121.10143	1.7
122.10561	0.3
123.08103	0.4
123.11709	0.5
125.00025	0.7
127.03952	1.3
129.06973	0.5
131.08594	0.9
133.10179	1.0
135.11725	1.4
137.09685	0.4
145.04883	0.4
145.10141	1.1
147.11739	0.9
149.13268	0.5
161.13287	0.5
163.11249	1.0
163.14847	0.3
173.09615	0.4
184.07368	2.0
185.04205	0.7
185.07590	0.4
193.12294	0.8
203.05255	0.4
209.11839	0.5
243.08481	1.3
249.11179	0.5
267.12164	1.2
267.15897	3.1
268.16339	1.5
283.15375	0.5
335.25647	0.8
337.27414	2.3
338.27933	1.3
441.17307	3.6
467.19193	1.0
485.20053	3.6
519.29346	5.3
529.39178	1.0
530.39392	2.4
547.39282	0.5
548.40594	1.3
613.55493	0.5
649.63934	0.4
698.17566	0.4
719.39771	0.9
745.41266	2.9
763.42267	100.0
764.42682	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	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.82910	1.5
61.71650	1.6
65.03954	2.8
67.05508	3.6
69.03432	5.8
70.06604	5.1
71.44694	1.5
72.22242	1.5
78.24962	1.9
79.05482	3.0
81.03442	5.1
81.07069	4.8
84.08147	3.1
85.02909	16.0
86.09714	3.3
87.00847	5.4
91.05477	7.5
93.07056	3.4
95.04954	3.6
95.08588	3.1
97.02910	7.4
97.06561	2.0
99.04440	2.8
103.05474	16.7
105.01876	5.8
105.04520	1.9
105.07049	4.2
107.04971	2.9
107.08626	3.9
109.02901	4.9
109.06477	2.1
109.10151	2.8
111.04445	2.2
115.05444	3.5
117.07019	2.6
119.04977	5.5
119.08581	2.8
121.10179	4.0
122.03639	2.8
123.04440	2.0
125.06028	2.5
127.03899	12.4
129.88045	1.7
131.04919	33.6
131.08586	2.7
133.02859	5.6
133.06497	4.7
133.10126	2.4
135.08083	3.6
136.11246	4.6
137.05980	72.1
137.11467	1.6
138.12735	3.2
139.13141	1.8
143.04936	1.9
145.04973	3.4
145.06496	4.6
145.10156	2.9
147.04437	5.5
147.11723	4.1
148.05205	7.8
149.05954	2.0
151.03912	82.4
151.04988	5.1
151.07530	2.1
153.05458	4.1
160.05128	2.0
161.05997	5.2
163.07523	22.2
163.14824	1.9
165.05496	3.1
167.07034	10.8
173.13246	3.6
175.07498	8.2
177.05498	4.2
179.07092	5.1
180.17453	2.1
181.04976	29.1
181.17795	2.0
187.07506	4.7
189.09160	3.5
191.07034	100.0
193.08618	2.4
195.06528	2.4
203.07080	7.0
205.06734	2.2
205.08615	4.9
206.18953	2.1
209.08060	3.3
231.04977	4.8
233.08109	4.7
235.09659	4.3
237.09093	2.1
249.06157	2.7
255.21091	10.7
263.09149	32.0
265.08664	3.4
273.22092	19.6
276.19617	2.5
277.08582	2.4
299.12595	2.1
301.21646	7.8
302.21280	2.0
304.23141	2.0
307.09637	3.0
309.11182	2.3
319.22662	17.2
327.12256	4.4
337.10556	3.3
341.14047	2.1
355.11713	11.3
357.13376	2.0
369.13290	9.9
374.23181	4.5
375.23618	6.7
376.24728	53.3
377.25156	33.1
378.26349	7.0
378.55734	1.7
387.14374	68.6
388.14636	3.2
416.11520	2.2
549.27283	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	764.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
63.82257	0.6
65.03941	16.8
67.05496	3.0
67.25173	0.7
69.03416	0.8
70.06593	3.8
70.56995	1.2
72.73161	0.7
77.43869	0.7
79.05486	1.5
81.03402	1.2
82.04202	2.7
85.02899	2.3
91.05475	5.1
93.03402	13.5
93.07044	0.8
94.82558	0.6
95.01330	2.7
95.04950	2.9
96.05780	0.7
97.02924	0.9
97.06509	1.2
103.05481	1.4
105.04549	0.9
105.07037	2.3
107.04954	2.6
108.02094	1.5
110.03665	16.3
111.04445	19.2
115.05424	1.3
119.04932	4.2
119.67818	0.7
121.02871	14.5
121.06495	2.7
123.04449	1.5
125.05989	22.0
128.06218	1.1
129.07008	0.7
131.04936	2.9
133.02856	4.5
133.06482	1.2
137.05986	9.0
138.03134	1.6
143.04907	1.0
144.05679	1.0
145.06487	1.9
147.04416	4.4
147.08031	1.2
149.02325	1.1
149.05992	2.6
151.07553	3.4
153.05467	100.0
154.05801	2.1
159.08078	5.0
161.06027	3.8
163.07568	1.7
165.05539	1.0
165.06970	1.3
166.07892	0.8
167.07059	12.2
167.08450	0.9
172.05171	0.7
173.14381	0.6
174.06712	0.9
175.07559	7.8
177.05499	1.5
179.07031	3.1
179.08542	1.4
181.04977	2.0
181.06456	1.4
181.08470	0.8
185.06049	0.8
186.06747	1.7
187.07536	3.1
189.05437	1.1
189.07019	1.0
191.06981	2.2
191.08626	2.2
194.07274	1.4
195.08054	2.0
197.09648	1.5
198.06714	1.2
199.07527	1.7
202.07837	0.8
204.07784	1.6
205.06621	0.9
205.08461	1.0
206.07108	0.8
207.08057	2.1
208.08821	1.6
209.07988	1.4
209.09720	0.9
210.06859	1.2
211.07536	1.8
213.09161	0.9
215.07040	1.0
216.07758	4.3
217.08681	1.0
218.07303	1.8
219.08054	5.1
220.08804	2.5
221.05904	1.7
222.06738	1.3
223.07542	4.4
223.11116	1.3
224.08228	1.5
225.09081	3.2
226.06233	3.8
226.09752	0.8
229.08665	2.9
233.05969	0.8
234.06638	0.8
235.07521	2.6
235.09618	0.7
236.08328	4.9
237.09084	3.1
238.06181	1.3
239.07091	5.3
239.10561	1.8
240.07706	1.5
241.08656	0.9
243.31000	0.8
245.05922	0.9
247.07434	2.3
247.09679	12.6
248.08267	2.3
249.05589	0.8
249.09111	2.6
250.09917	1.3
251.06851	1.4
251.10698	5.3
252.07892	1.2
253.08612	11.6
254.09421	3.2
255.10170	1.0
259.07236	1.1
261.09097	1.6
263.06946	1.9
263.10779	1.4
264.07678	4.8
265.08551	4.1
265.11639	0.6
266.09332	1.9
267.10107	2.5
268.10852	0.8
269.11749	6.1
270.08911	1.2
275.07028	1.7
276.07773	1.8
277.08575	2.7
278.09262	1.1
279.10214	4.2
281.08179	1.7
281.11642	1.4
282.08984	3.4
283.09637	2.4
283.13052	0.8
289.08615	1.3
291.10007	1.6
292.07486	0.9
293.08170	1.3
293.11554	0.8
294.08899	1.2
295.09671	3.5
296.10562	0.8
297.11194	9.0
299.09451	0.8
307.09641	16.9
308.10513	2.0
309.07669	0.8
309.11084	2.2
311.09177	0.7
311.12869	0.9
313.10660	1.3
315.12823	0.8
319.09711	1.9
320.10626	0.9
321.11072	1.3
323.12653	1.2
324.10004	1.2
325.10696	56.4
326.11234	3.8
327.12219	1.8
329.13791	1.5
336.13416	1.0
337.10596	2.5
337.14194	1.2
338.11365	0.8
339.12268	41.1
340.12683	4.0
341.13803	6.5
351.12173	6.9
353.13763	1.5
355.11719	1.5
357.13309	67.4
358.13663	3.0
359.14856	1.0
369.13284	10.3
370.13837	2.0
371.14847	1.1
387.14334	9.4
439.79218	0.8
489.19122	2.0
499.18115	0.9
507.20660	0.9
519.19391	1.2
541.22156	0.9
552.31158	0.8
564.92297	0.7
612.79047	0.7
701.13373	0.8
758.08246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.19802	0.6
65.03940	2.2
66.04703	0.6
67.05511	1.4
69.03414	1.1
70.06567	2.7
77.03525	0.6
77.03941	1.0
78.04816	0.5
79.05506	1.9
81.03406	1.4
81.07056	1.0
85.02917	2.6
91.05476	4.2
94.04181	1.8
95.04978	3.6
98.22727	0.7
103.05466	19.0
105.01434	0.5
105.03423	1.0
105.07013	2.7
107.04943	3.1
108.02096	0.9
109.06517	1.6
111.04454	1.2
115.05470	4.2
117.07019	3.5
118.04154	3.5
119.04983	4.2
121.06489	2.0
122.03654	3.7
123.04418	3.2
124.05154	0.6
125.05990	1.6
127.07579	0.6
129.07001	1.9
131.04926	32.2
132.05678	1.0
133.02832	5.3
133.06473	3.6
133.25650	0.5
135.04393	0.8
135.08015	1.4
136.11215	1.0
137.05977	72.0
138.06322	1.0
141.05467	0.7
143.04915	2.2
144.05736	0.9
145.06476	4.4
147.04402	5.3
147.08002	1.0
148.05190	9.2
148.06355	0.6
149.06004	2.7
151.03908	81.1
151.04997	5.0
151.07570	1.7
152.04272	1.7
153.05461	3.6
155.04895	0.7
157.06519	1.5
159.04472	0.9
159.08023	0.7
160.05177	2.2
161.05975	4.6
162.06729	1.2
163.04019	0.8
163.07539	22.7
165.05453	4.5
165.09172	1.0
167.07031	10.3
171.04387	1.5
171.06593	0.7
173.05981	4.7
174.06723	0.9
175.07542	9.2
176.04694	1.6
177.05482	3.0
177.09068	1.6
179.07033	6.6
179.08487	1.0
181.04956	23.4
187.07542	3.1
189.05428	0.9
189.09106	2.5
190.06184	1.3
191.07028	100.0
192.07411	3.1
193.04994	1.3
193.08607	2.1
195.06575	0.8
199.07489	0.7
201.05424	0.6
201.09064	0.6
203.07034	5.7
204.90115	0.6
205.06653	1.1
205.08592	4.4
206.07204	0.7
207.06371	1.1
207.08141	1.2
207.10155	1.7
209.08061	4.4
211.07411	0.8
217.08569	1.4
219.10074	1.2
221.08005	1.2
223.09651	1.2
225.09070	0.6
227.06924	0.6
229.08336	0.6
231.06404	0.8
233.06059	0.8
233.08069	3.9
234.06741	0.7
235.07458	1.6
235.09645	4.2
237.09079	2.3
238.09918	0.6
240.07686	0.7
241.08653	0.9
245.08109	1.0
247.07362	1.0
249.09058	1.9
251.06949	0.9
253.08554	0.7
259.09460	1.1
262.06100	0.6
263.09158	22.3
264.09644	0.7
265.08508	2.0
266.09290	0.6
267.10043	1.9
274.17960	1.6
275.18295	1.1
277.08487	1.5
279.10120	0.9
283.09445	0.7
290.09274	0.6
294.08429	0.9
295.09531	1.6
297.11368	0.8
299.09204	0.8
305.07898	0.7
307.09628	0.9
309.11148	1.2
319.09579	0.8
323.09167	0.8
325.10587	1.4
327.12177	3.4
329.13739	1.9
337.10654	2.9
339.12271	1.9
341.13721	1.6
351.12122	2.0
353.13898	1.0
355.11725	8.1
357.13196	1.9
359.14868	2.3
365.13681	1.3
369.13290	7.6
371.14777	0.7
375.23340	0.7
387.14368	59.1
388.14853	3.5
390.22757	3.2
391.22958	2.1
413.15952	0.9
498.30289	0.9
517.18188	2.1
549.20953	1.3
760.97864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
56.88136	0.5
65.03938	1.8
67.05502	1.6
69.03434	1.4
69.43664	2.4
70.06592	3.3
72.41196	0.5
79.05489	2.0
81.03425	2.4
81.07043	1.0
82.16801	0.5
85.02902	3.5
91.05486	4.6
93.03424	0.9
94.04178	1.2
95.04971	3.1
97.02901	0.7
97.06530	1.2
103.05469	17.5
103.91490	0.6
105.03384	1.8
105.04523	0.8
105.07029	3.0
107.04948	3.5
108.02076	1.1
109.02896	0.8
109.06533	1.4
111.04483	1.1
115.05422	3.0
117.07024	3.0
118.04177	3.0
119.04932	5.4
119.08584	0.6
121.06490	1.8
122.03638	4.0
123.04454	2.0
125.05984	2.1
127.03981	1.0
128.06215	0.7
129.07014	1.4
130.04158	1.1
131.04930	33.8
132.05669	0.7
133.02831	4.0
133.06458	3.8
135.04388	0.8
135.08034	2.0
136.01567	0.6
137.05975	66.5
138.06300	1.2
138.12817	0.9
139.07521	0.6
141.05475	1.0
143.04903	2.0
144.05679	0.8
145.06461	5.0
146.03650	0.7
147.04405	6.2
147.08064	1.6
148.05179	7.9
149.06000	1.9
151.03906	82.5
151.04967	4.6
151.07521	2.0
152.04214	1.1
153.05458	3.3
155.04950	0.7
157.06453	1.9
159.04449	0.9
159.07950	0.8
160.05219	1.9
161.06006	5.2
163.03896	0.8
163.07535	24.9
165.05502	4.0
165.09131	0.9
167.07050	10.6
171.04425	1.4
171.06549	0.8
172.05112	0.7
173.05989	4.3
174.06786	0.8
175.07533	7.4
176.04750	2.6
176.08295	0.7
177.05466	2.4
177.09128	1.9
179.07059	8.2
179.08545	0.8
181.04944	23.0
183.06583	0.7
187.07552	2.9
188.08261	0.6
189.05432	1.4
189.07071	0.6
189.09103	2.4
190.06215	0.8
191.07028	100.0
192.07396	1.9
193.04919	1.9
193.08603	2.3
195.06516	1.2
201.05453	0.7
203.07002	5.5
205.06561	1.6
205.08614	5.6
207.06473	0.9
207.10152	1.1
209.08051	4.0
211.07484	1.1
216.07913	0.7
217.08562	1.6
219.10123	1.7
221.07959	0.9
223.09668	1.1
227.06915	0.8
231.06483	0.8
233.07985	3.9
234.06813	1.0
235.07596	1.2
235.09625	4.0
237.09081	2.3
239.10822	0.7
241.08505	0.7
245.08128	1.1
249.09062	1.9
253.08530	0.7
259.09744	0.7
260.16379	0.6
263.09174	25.6
264.09583	0.7
265.08392	2.6
266.09305	0.8
267.10126	2.0
277.08517	2.5
279.10165	0.7
293.07831	1.1
295.09491	2.7
297.11133	1.0
299.12677	0.8
307.09509	0.8
309.11096	0.7
320.18408	1.1
325.10635	2.1
327.12274	4.1
329.13721	2.5
337.10648	1.6
339.12167	1.8
341.13586	1.2
351.12231	1.6
355.11740	10.4
357.13251	1.6
359.14658	2.4
369.13278	6.5
371.14847	1.2
374.23083	1.6
375.23538	1.3
376.24246	1.0
387.14368	63.8
388.14987	2.8
390.22476	1.1
413.16061	1.0
517.18445	2.6
549.20795	1.8
677.45935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
56.76884	0.9
61.02947	1.0
65.03938	10.8
66.53795	1.0
67.05505	3.1
69.03413	4.9
70.06599	2.3
78.04694	0.8
79.05496	3.0
81.03406	1.9
81.07039	1.4
82.04203	1.9
84.08133	1.1
85.02913	5.7
89.03912	0.9
91.05492	6.3
93.03403	8.6
95.01338	1.2
95.04953	3.2
97.02893	1.9
97.06537	1.3
99.37017	1.0
103.05456	2.7
105.04489	1.3
105.07026	2.9
107.04933	3.5
109.02878	2.3
109.06514	1.1
109.10123	1.5
110.03658	11.0
111.04451	14.7
115.05463	2.9
119.04967	5.0
119.08573	1.7
121.02857	2.9
121.06516	2.6
122.03669	1.0
123.04404	2.3
125.05978	16.8
127.03886	2.9
128.06242	2.2
129.06975	2.5
131.04918	4.2
131.08553	1.3
133.02826	1.8
133.06476	1.7
135.04417	1.3
136.11229	0.9
137.05980	9.6
138.03046	1.2
143.04926	2.2
144.05704	1.9
145.06480	3.3
146.07239	1.4
147.04401	6.4
149.02342	1.7
149.05960	3.3
150.67639	1.0
151.03920	5.6
151.07515	3.3
152.04648	1.0
153.05463	75.8
154.05771	2.0
155.04938	1.1
157.06473	1.2
159.08087	5.6
161.05983	5.5
161.09584	3.3
163.03914	2.0
163.07567	2.5
165.06982	1.5
166.08615	1.0
167.07036	22.6
167.08473	1.2
170.67702	1.0
171.04430	2.8
173.06001	1.5
173.22705	1.0
174.06688	1.6
174.89537	1.1
175.07576	6.4
177.05463	2.1
177.09174	1.0
178.07704	1.4
179.07053	3.0
181.04991	7.7
185.06033	1.1
186.06757	11.6
187.07487	8.4
189.09085	2.9
190.07762	2.3
191.07056	9.4
191.08562	1.4
193.06433	1.4
194.07176	1.1
195.08057	1.6
199.07581	3.0
202.07793	1.4
203.08632	1.3
204.13828	1.8
205.06595	1.4
205.08519	2.6
206.07307	1.9
207.06490	3.0
208.08749	2.2
209.07997	1.3
216.07764	7.4
217.08597	1.8
218.07230	2.9
219.08060	7.7
220.08762	4.5
221.06007	2.2
221.09697	5.3
223.07571	2.3
223.11168	1.0
225.09129	2.6
229.08609	8.5
231.08136	1.5
233.05962	1.9
233.09592	1.4
234.06761	1.6
235.07550	4.1
236.08334	8.1
237.09053	4.2
246.06824	1.7
247.07498	3.6
247.09810	1.5
248.08250	2.8
249.05371	2.2
249.09209	6.6
250.06200	1.2
250.09894	1.6
251.06789	1.4
251.10666	17.8
252.11372	2.2
253.08508	5.1
259.07391	1.1
261.09140	2.8
263.06961	1.4
263.10596	1.2
264.07809	11.1
265.08551	8.6
266.09216	1.3
267.10165	2.2
268.10907	3.0
269.11539	1.1
275.06952	3.0
276.07788	6.8
277.05545	1.1
277.08505	7.0
278.05847	1.1
278.09311	3.6
279.07211	1.6
279.10135	11.9
280.10834	1.8
281.08139	3.0
281.11673	3.2
283.13239	8.8
289.08582	1.2
290.09387	1.7
291.10068	2.9
292.07297	3.3
292.10449	1.3
293.07990	3.3
293.11407	2.0
294.08609	1.7
295.09808	1.4
296.10458	2.8
297.11261	1.6
304.07248	2.3
305.08087	1.4
306.08731	1.3
307.09650	59.0
308.10345	12.1
309.11203	6.6
311.12738	11.6
319.09610	3.7
320.10178	1.2
321.11234	2.3
323.12762	1.9
324.09979	2.7
325.10696	7.9
326.11371	1.3
337.10617	3.5
338.11407	1.2
339.12262	100.0
340.12836	7.7
341.13846	19.1
351.12219	15.0
352.12454	1.6
353.13864	6.2
357.13269	9.7
369.13336	24.0
370.13779	2.5
371.14758	2.6
376.20883	1.7
376.24826	13.8
377.25244	8.0
378.22366	1.1
387.14438	8.0
388.21170	6.1
489.19412	1.7
519.18701	1.1
764.33112	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
57.03433	2.0
61.02926	6.8
65.03980	0.4
67.05505	4.9
69.03422	3.3
69.07071	1.5
69.13988	2.3
71.04989	1.1
73.02919	4.9
79.05499	4.9
81.03429	3.2
81.07059	5.3
83.04986	0.7
83.08642	0.8
85.03358	0.6
85.30167	0.4
87.04482	0.6
91.03951	4.1
91.05475	2.7
93.07052	4.7
95.04977	1.1
95.08615	4.6
97.02907	5.3
97.06543	0.7
99.04449	1.0
101.02390	2.5
103.03923	0.5
105.07059	1.5
107.04968	0.4
107.08611	2.3
109.02908	1.2
109.10177	1.3
110.90331	0.4
111.08131	0.5
115.03957	0.7
119.08610	1.4
121.10148	3.9
123.11701	0.6
127.03944	1.6
129.07027	0.5
131.08585	1.5
133.10197	0.8
135.11707	0.7
136.09436	0.4
147.11705	1.0
149.09628	0.6
157.10165	0.6
167.10800	0.4
169.78683	0.4
185.04272	1.2
185.13368	0.4
192.71100	0.3
193.12282	0.8
203.05305	0.7
211.13474	0.4
213.98761	0.5
225.11026	0.4
243.08452	2.7
251.12694	0.4
267.15973	0.6
269.13681	2.3
335.25854	1.1
371.16776	0.5
443.18973	5.8
469.20248	2.0
487.21582	4.3
498.28699	0.4
519.29272	9.3
520.29901	0.5
591.31836	0.5
652.82086	0.4
721.41199	1.5
747.43378	1.9
765.43921	100.0
766.44269	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	765.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79952	0.3
55.01891	0.5
55.05513	1.4
57.03439	1.7
57.07075	0.6
59.27814	0.4
61.02932	5.2
62.25281	0.4
65.92416	0.3
67.05506	5.0
67.25368	0.4
69.03434	2.6
69.07070	1.4
70.06601	3.1
70.58685	0.7
71.04638	0.5
71.04978	2.2
71.08636	0.6
72.04523	0.4
73.02914	3.6
79.05484	3.0
81.03417	2.6
81.07068	4.2
83.04974	0.6
83.08617	1.0
87.04492	0.6
88.55679	0.4
91.03952	3.3
91.05484	3.0
93.07051	4.1
95.04996	1.2
95.08611	2.5
97.02910	3.5
97.06532	0.5
98.06059	0.5
99.04483	1.0
101.02391	1.9
105.07016	1.9
107.08623	1.6
109.02897	0.7
109.06581	0.4
109.10170	2.1
117.07043	0.9
119.08559	2.1
121.10174	1.8
126.05564	0.6
127.03949	1.3
129.06972	0.6
131.08621	0.9
133.10135	1.2
135.11717	1.5
137.09624	1.0
145.10152	0.8
147.11734	0.8
149.13283	0.8
161.26343	0.4
185.04306	1.0
193.12326	1.0
203.05397	0.6
243.08437	2.7
248.13893	0.5
251.12688	1.1
253.14233	0.9
313.27167	0.5
439.19165	0.6
453.20804	0.9
469.20572	3.9
471.22049	5.6
535.28961	3.6
537.30353	2.3
543.24304	0.9
553.30432	0.5
585.45667	0.7
708.86334	0.5
747.51337	1.0
765.43890	100.0
766.44427	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	767.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44659	2.5
68.29955	2.5
69.22628	14.5
70.06595	8.2
74.02469	3.7
86.03963	2.6
86.09710	6.6
86.34843	2.4
87.05621	5.3
98.23435	5.6
111.94936	3.2
112.48936	2.8
132.06639	2.6
132.10202	3.8
133.06110	13.1
210.15195	2.6
378.26273	9.3
379.26630	8.3
545.66907	2.9
662.12262	3.4
744.08942	2.9
767.19312	100.0
768.19275	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	767.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05519	2.2
57.03440	1.9
57.07079	0.7
61.02927	5.6
67.05505	5.5
69.03432	2.6
69.07056	2.6
71.01351	0.7
71.05015	0.8
71.08646	0.7
71.42783	0.6
73.02917	2.8
79.05479	2.7
81.03432	4.4
81.07049	6.3
83.04976	0.9
83.08652	1.4
85.02908	4.2
85.06562	0.4
86.09705	2.3
87.04484	1.0
89.06042	0.7
91.03947	3.1
91.05488	2.4
93.07043	3.3
95.04962	0.7
95.08602	4.1
97.02888	5.1
97.06539	0.6
97.10200	0.8
99.04473	0.8
101.02402	2.0
104.44208	0.5
105.07069	1.6
107.08627	0.9
109.02897	1.0
109.10207	1.9
112.87752	0.5
119.08617	1.3
121.10133	2.4
123.11732	0.8
125.00008	1.1
127.03979	1.5
129.07013	1.0
131.08675	0.5
133.08678	0.7
133.10152	1.2
135.11731	0.5
139.11194	1.0
147.11768	0.8
149.09602	1.0
149.13269	0.5
157.10240	0.7
184.07329	6.0
185.04320	0.6
185.07603	1.0
193.12326	1.3
203.05466	0.6
204.90598	0.6
243.08405	2.2
261.76733	0.5
269.13702	2.0
337.27435	0.9
371.51270	0.5
443.19012	3.9
469.20389	2.5
487.21478	4.8
506.38788	0.6
521.30768	8.2
677.45422	0.6
710.37671	0.6
723.42535	0.9
749.44440	2.3
767.45465	100.0
768.45807	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	768.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
56.05035	0.9
57.03389	0.6
58.99329	0.8
58.99586	5.5
65.03945	4.0
67.05502	0.9
70.06592	1.3
70.69214	0.9
73.44983	0.8
75.04490	3.8
76.02231	32.9
77.03945	0.7
78.04706	3.5
79.05488	1.9
84.04499	6.8
85.02905	1.7
86.99035	0.7
88.02282	0.8
89.03917	1.3
89.06013	1.3
91.05476	12.8
93.03407	14.1
93.03973	0.5
93.07040	5.0
95.04978	4.9
97.06522	3.5
103.05479	6.4
105.04506	2.0
105.07013	1.5
106.04176	32.3
107.04960	2.0
116.01680	8.8
117.03338	0.9
119.04951	1.1
121.06509	31.9
123.04442	1.3
123.08028	0.9
125.05992	7.9
130.04999	5.0
131.04919	1.0
133.06520	0.7
134.03612	4.4
135.04388	1.1
136.11136	1.3
137.05969	3.2
138.06766	1.4
139.07541	2.3
142.03242	3.7
144.01128	5.1
145.02843	1.2
146.05992	0.9
147.06264	0.7
148.05176	2.9
149.05980	49.1
150.06334	0.9
151.07527	2.3
152.08365	0.8
153.05527	1.6
153.09119	12.5
162.02223	16.3
163.03995	1.0
163.07527	2.7
166.06300	1.3
167.06984	2.0
170.02744	1.1
171.47699	0.6
177.03246	1.4
177.05467	25.6
179.04858	27.9
181.08594	22.1
187.05399	0.7
191.07065	5.0
192.06531	1.3
207.08871	2.7
208.01973	1.1
209.08090	100.0
210.08485	1.5
215.04881	0.9
223.04216	12.2
233.05933	8.4
233.63510	0.7
245.05809	1.8
249.05774	1.2
251.09140	6.1
277.05225	1.7
291.06439	1.6
308.09091	53.9
309.09308	0.7
318.13556	0.8
318.16989	3.0
319.17337	0.9
319.40915	0.7
369.11008	6.3
401.15839	1.7
423.12335	2.1
450.24731	1.6
498.15179	1.7
727.15558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59698	0.3
54.95145	0.3
55.01868	2.4
55.02092	0.5
56.05027	0.4
57.03433	0.5
57.98782	0.3
58.99578	5.2
61.02924	0.4
63.02360	0.4
65.03941	3.1
66.04696	0.4
67.05497	1.1
69.11665	1.7
70.06586	1.1
73.58285	0.3
75.04101	0.3
75.04485	4.3
76.02228	31.3
76.03999	1.0
76.32690	0.4
77.03925	0.9
78.04710	3.9
79.05482	2.0
80.05010	0.3
81.07066	0.4
81.94106	0.3
83.06085	0.4
84.04502	8.8
84.08111	0.5
85.02914	3.5
86.99039	1.0
88.02213	0.8
89.03909	1.1
89.06023	1.1
91.05477	13.0
92.01697	0.3
93.03403	12.8
93.07042	5.5
94.04227	0.4
95.04964	6.0
96.25320	0.3
97.06522	3.7
103.05463	6.4
105.04513	2.1
105.07025	1.3
106.04170	31.5
107.04940	1.1
108.05706	0.4
109.06516	0.8
111.01770	0.3
111.04366	0.6
116.01678	7.9
117.03371	1.0
118.04178	0.6
118.23689	0.3
119.04933	1.3
119.06038	0.4
121.06503	33.3
121.73019	0.3
122.03703	0.4
122.07213	0.4
123.04414	1.1
123.08045	0.6
123.36284	0.3
124.05223	0.4
125.05119	0.5
125.06002	9.2
125.06907	0.7
130.04100	0.5
130.04988	4.9
131.04895	1.7
131.05978	0.7
132.05728	0.5
133.06493	1.2
134.03644	4.4
135.04425	0.7
135.48540	0.3
137.05962	4.3
138.06784	1.7
139.07532	2.8
142.03236	2.5
144.01144	4.1
145.02843	1.8
145.06091	0.4
147.04410	0.5
148.05148	2.8
149.05974	50.9
150.06364	1.3
151.03935	0.4
151.07571	1.9
152.08305	0.5
153.05435	1.9
153.09100	12.8
161.05949	0.9
162.02209	15.1
163.03749	0.4
163.07550	2.0
165.05478	0.9
166.06274	1.5
167.07004	1.4
170.02719	1.1
171.50635	0.3
175.03906	0.3
176.04617	0.4
177.03342	0.8
177.05469	24.0
178.05804	0.4
179.04846	28.1
180.05080	0.5
180.07777	0.4
181.08585	22.8
182.11426	0.4
187.05379	0.6
190.00806	0.6
191.07021	4.9
192.06497	0.9
193.08574	0.6
207.08855	2.7
208.01921	0.9
209.08080	100.0
210.08389	2.4
215.04855	1.3
216.03244	0.3
223.04225	12.1
223.06384	0.6
231.04135	0.8
233.05891	7.7
245.05826	1.1
249.05772	0.9
251.09157	6.2
266.08499	0.7
277.05350	1.2
290.08011	0.9
291.06369	0.6
294.07928	1.1
308.09088	51.9
309.09329	1.0
320.11148	0.4
332.09317	0.4
344.18704	0.5
350.22855	0.4
369.10794	5.3
401.16080	2.2
423.12054	1.3
432.23773	0.4
450.24576	1.9
498.15256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.2
67.77583	0.4
69.03436	0.9
71.04980	0.6
79.05497	1.0
81.07063	0.9
82.06590	0.5
83.04995	0.9
86.35518	0.5
86.75674	0.4
91.05494	1.0
93.07008	0.7
95.04984	1.0
99.04449	1.0
99.98106	0.4
105.03384	0.6
107.08566	0.8
108.08174	0.6
109.06553	0.7
112.37863	0.4
117.07014	0.8
119.08509	0.6
119.61392	0.4
120.08124	0.6
122.09667	3.6
123.10432	0.7
127.03950	0.5
131.08540	0.6
132.08096	1.1
133.02863	1.4
134.09657	10.1
137.09598	0.6
146.09662	0.6
148.11195	1.3
150.09148	0.9
155.03419	0.5
158.09618	0.7
160.11279	1.4
161.11984	2.7
162.12796	4.0
163.03888	3.2
163.13600	1.5
165.05510	0.9
170.09700	0.5
172.11195	0.6
183.06494	1.2
184.11195	0.7
186.12801	0.7
188.10619	0.9
198.12804	1.5
206.11674	0.8
208.13324	0.5
210.12791	0.5
212.10757	0.9
212.14349	0.6
218.11742	2.3
221.14037	0.6
226.12456	0.7
232.13304	3.3
233.14122	1.7
234.14793	3.3
236.10786	0.5
238.12193	1.1
240.13863	2.5
244.13501	0.9
246.14775	0.8
248.16254	0.6
250.12305	0.5
256.13290	0.9
258.14877	0.9
260.16461	20.1
261.17090	1.4
261.77576	0.5
267.15903	0.6
272.12881	0.6
272.16541	0.6
274.14566	0.6
282.14828	0.6
284.16327	0.6
288.15952	8.7
296.16293	0.6
300.12415	0.6
312.15848	1.2
312.19434	1.0
314.13861	0.7
316.15463	14.2
324.15829	2.2
328.15414	1.7
335.07504	0.7
338.17612	1.1
339.18277	1.2
340.15479	0.7
340.19073	13.6
342.16949	0.9
344.18570	2.1
356.14905	23.9
356.18707	6.8
357.15195	1.1
371.20755	0.8
372.17984	8.8
372.21863	0.9
373.18350	0.6
384.14554	1.2
386.19565	1.3
387.20413	9.2
388.21152	0.8
398.19550	1.3
399.16669	7.2
400.17670	3.8
414.19098	100.0
415.19742	11.5
416.20682	21.4
416.25089	0.3
417.21033	1.1
465.41437	0.5
576.22284	44.4
577.22168	2.4
768.27637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05531	0.8
67.05511	3.2
69.03442	2.9
69.11715	3.0
69.12125	1.5
71.05003	3.8
72.96974	0.8
79.05500	3.0
80.05021	3.1
81.07060	3.5
82.06588	0.7
82.65542	0.7
83.04986	1.0
84.08157	1.0
88.82164	0.8
91.05509	3.9
93.07064	3.4
94.06544	1.6
95.04979	1.4
95.08595	4.3
96.08155	1.3
97.02904	0.8
97.73315	0.7
98.22644	1.6
99.04469	3.0
105.07032	2.9
106.06574	2.1
107.08604	2.1
108.08125	1.7
109.06548	1.9
111.04535	0.9
117.07027	0.8
118.06544	1.2
119.04969	1.3
119.08575	0.8
120.08143	3.0
121.06519	1.8
122.09668	52.4
123.04453	5.0
127.03935	0.9
130.06531	1.2
131.08582	1.1
132.08093	5.4
133.06488	4.2
133.08871	1.6
134.09651	22.6
135.08093	1.5
137.05956	3.6
142.07800	0.8
144.08066	1.3
146.09599	1.6
147.10422	1.0
148.07599	2.3
148.11261	1.1
150.09155	10.1
153.05569	0.8
155.03447	3.1
155.07050	1.9
157.09044	0.9
157.10199	3.5
158.09702	1.5
159.08051	0.8
160.11275	3.2
161.12047	1.3
162.12784	64.9
163.03944	3.2
163.13577	6.6
165.05536	1.6
167.07146	1.3
172.11281	1.9
173.09602	0.9
175.11182	8.2
181.08743	0.7
182.09605	0.8
182.11748	3.6
183.06581	3.8
186.12903	0.9
188.10764	1.4
190.12338	1.3
193.36766	0.7
198.12823	2.5
200.10826	0.9
201.05545	1.9
208.11214	1.0
212.10739	1.3
212.14490	1.5
214.12285	0.9
218.11826	2.0
220.13405	2.4
221.14058	5.3
224.10863	1.1
226.12357	1.6
232.13246	5.0
233.14204	3.5
234.14850	4.5
236.10672	1.3
238.12294	0.8
240.13832	5.9
242.15601	1.1
243.06563	1.5
244.13293	0.9
245.75760	0.8
246.14961	2.6
248.10846	2.0
250.12260	1.0
256.13428	1.0
258.14798	1.8
260.16446	21.4
261.17258	20.9
262.17953	2.3
266.11865	1.3
268.09885	1.0
276.10153	6.8
282.15182	1.5
284.12845	2.9
288.15906	4.7
294.11230	6.8
298.14594	1.7
298.17767	0.8
310.17914	1.4
312.12372	5.7
312.15796	1.2
312.19684	0.9
316.15417	13.1
317.16855	0.8
320.28049	0.9
322.18045	1.6
324.15982	7.7
339.18372	2.9
340.19080	17.8
342.17065	2.0
356.14893	3.0
356.18719	4.2
360.21796	2.2
372.17905	2.3
372.21805	14.9
382.16983	1.5
386.19452	1.0
387.20447	5.5
388.21182	4.5
398.19647	1.1
400.17661	2.7
410.15900	2.9
412.17920	1.5
414.19144	17.8
415.19885	12.1
416.20636	32.8
417.20898	1.4
419.09872	2.9
440.17068	3.8
458.18225	1.4
461.48163	0.9
468.16492	1.1
486.17542	12.6
547.14514	1.9
576.20782	4.1
576.29938	1.3
585.21967	10.0
586.22815	1.1
594.29156	11.5
768.28491	100.0
768.39398	5.0
769.28613	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	768.286
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65623	2.0
69.03425	2.1
70.06585	9.2
71.04999	2.6
75.59218	1.9
80.05029	2.2
83.04973	3.3
84.08143	4.5
91.05486	2.6
96.08124	1.9
97.98547	2.2
99.04444	2.9
103.05535	2.0
107.04983	4.9
108.08133	8.4
120.08130	6.1
122.09653	11.5
131.04968	2.2
133.72014	1.9
134.09650	10.1
145.51649	1.8
150.09103	3.3
153.36482	2.0
154.12262	5.4
160.11203	3.3
161.12032	3.9
162.12813	5.8
182.11777	11.0
185.06059	2.3
197.06151	2.0
211.07555	2.2
212.07181	1.8
213.05562	1.9
218.11890	4.4
220.13374	1.9
227.06989	3.6
232.13371	4.0
233.14050	3.2
234.14848	3.8
238.08768	3.7
240.10274	4.8
252.10291	7.0
254.12000	1.9
260.16437	30.4
261.11844	1.9
264.10077	1.9
266.08264	3.9
266.11737	3.1
268.13303	3.4
269.14136	3.8
284.09076	2.2
285.09937	2.9
286.10675	2.1
288.15918	14.2
294.11301	8.4
309.34625	1.9
312.12292	25.0
316.15445	24.2
317.15652	2.4
320.12842	2.5
320.18552	4.1
321.18961	4.0
324.12219	2.0
336.12134	2.4
338.13876	4.8
344.18655	5.1
348.16074	2.2
351.21881	3.5
352.15488	17.6
356.14874	5.1
356.18744	16.5
366.16974	37.0
367.17413	3.1
372.18048	16.5
387.20288	22.6
394.16434	38.4
394.20868	2.6
399.16748	2.3
400.17572	5.3
405.88382	2.1
410.15921	8.1
412.17554	7.2
413.14664	3.4
414.19098	34.2
415.19766	24.2
440.16962	18.3
459.15402	7.2
468.16669	4.0
486.17459	18.3
515.44012	1.9
522.21039	2.8
526.48639	1.9
538.20721	3.5
568.22430	2.2
576.22290	100.0
577.23047	5.4
584.21198	5.1
585.22003	28.6
586.22949	4.0
590.09100	2.0
594.23224	8.6
639.87152	2.0
722.27789	3.4
722.84546	2.4
768.28351	79.2
769.29163	7.6
773.34930	2.4
799.10468	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	768.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05503	0.4
59.94135	0.3
67.05511	1.6
69.03410	1.0
69.98929	0.6
70.06569	0.6
71.04979	1.0
77.03927	0.6
79.05473	1.0
80.05009	2.0
81.07051	2.0
82.06559	0.5
83.01340	0.6
83.04999	0.5
84.08143	0.8
85.96622	0.3
91.05476	2.1
93.07041	1.7
94.06557	1.1
95.04963	2.1
95.08607	3.0
98.22793	0.3
99.04462	1.8
105.03387	1.3
105.07022	1.5
106.06548	1.0
107.08603	1.7
108.08099	0.6
109.06492	1.0
110.09652	0.5
111.04438	1.6
112.07559	0.3
115.05478	0.4
117.03349	0.3
117.06993	0.8
118.06538	0.8
119.04935	1.1
119.08607	0.3
120.08129	3.4
121.06493	1.4
121.08893	0.3
122.08816	0.4
122.09673	5.3
123.04432	5.1
123.10445	0.7
125.05994	0.6
127.03924	0.7
129.06990	0.7
131.08569	1.1
132.08145	1.6
133.02844	4.4
133.06490	3.4
133.08849	0.6
134.09654	15.3
135.04347	0.7
135.08037	1.4
135.10384	0.5
136.07617	0.5
137.05988	3.1
139.03853	0.4
142.07790	1.0
143.08549	0.3
145.02876	0.4
146.09648	0.7
147.08084	0.5
148.11191	1.3
148.80521	0.3
149.06026	0.6
149.12032	0.4
150.09200	1.9
151.03912	0.7
154.12277	0.5
155.03415	3.0
155.06989	1.1
155.08243	0.4
157.10136	3.0
158.09680	0.8
159.08060	0.3
159.11731	0.4
160.08972	0.4
160.11218	4.4
161.11980	3.0
162.09140	0.4
162.12784	8.7
163.03912	3.7
163.13512	1.1
164.10658	0.3
165.05475	0.8
167.07048	0.8
168.10213	1.3
170.09749	0.7
171.10446	0.5
172.11186	0.8
174.09209	0.3
175.09694	0.5
175.11180	8.0
176.10571	0.4
182.10089	0.4
182.11752	3.9
183.06572	2.4
184.11220	0.6
186.09181	0.7
186.12810	0.8
187.13472	0.3
188.10716	1.3
190.12325	0.7
198.12741	1.3
200.10722	0.6
200.14427	0.3
202.12189	0.6
206.11662	0.3
208.13278	0.8
210.12776	1.0
212.14375	0.7
214.12297	0.7
218.11754	2.0
220.13332	1.0
221.14078	0.8
222.12758	0.5
224.10687	0.4
226.08659	0.3
226.12247	0.7
228.10246	0.5
228.13773	0.5
230.11671	0.4
232.13362	3.8
233.14116	1.8
234.14897	3.2
238.12248	1.1
240.10341	0.4
240.13847	1.9
241.14778	0.4
243.06541	0.6
244.13326	1.1
246.14975	0.8
248.16446	0.5
250.12328	0.4
252.13864	0.5
256.13336	0.9
258.14856	0.5
260.16458	20.6
261.16949	1.6
262.18015	1.3
270.14874	0.7
272.13000	0.6
272.16406	0.6
274.14362	0.8
282.11392	0.4
282.14853	0.9
284.13052	0.4
288.15915	7.8
289.16632	0.5
292.16803	0.3
294.11163	0.5
298.14423	1.2
298.17883	0.6
300.12320	1.1
300.15942	0.8
307.08109	1.5
310.14539	0.4
310.18027	0.5
312.16019	0.9
312.19659	1.2
313.20404	0.3
314.14001	0.7
314.17468	0.5
316.15436	60.1
317.15839	2.1
318.17111	0.5
322.18082	0.5
324.15933	1.5
326.17377	0.4
328.15414	2.1
328.18805	0.6
335.07520	3.1
338.17462	0.9
339.18491	0.4
340.15399	0.7
340.19064	11.3
341.19614	0.5
342.16998	0.8
344.18607	1.3
346.16531	0.5
354.17004	0.3
356.14896	23.7
356.18689	7.9
357.15186	0.8
372.17938	7.8
372.21802	11.1
373.18033	0.5
373.22208	0.6
382.16739	0.5
384.14349	0.8
386.19684	1.5
387.20395	9.0
388.21075	1.0
396.17938	0.4
398.19522	0.9
399.16797	8.4
400.17484	4.5
401.18124	0.4
405.36713	0.3
413.17865	0.3
414.19101	100.0
415.19781	17.9
416.20682	22.7
417.20926	0.6
432.23730	0.6
576.22144	40.7
577.22754	2.5
594.29144	8.4
750.27063	0.5
768.28009	1.3
768.39465	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18330	0.5
54.44976	0.6
55.01870	4.2
55.05481	1.0
64.24828	0.6
65.03884	2.1
66.92558	0.6
67.05506	7.0
69.03384	2.3
70.06551	1.1
77.03873	0.6
78.39346	0.7
79.05488	6.3
80.05028	3.2
81.07050	15.1
83.04970	0.9
84.08079	0.9
91.05476	16.6
93.07035	8.5
94.06514	2.8
95.04969	4.6
95.08599	25.7
97.02832	1.7
97.06413	0.6
97.57488	0.6
99.04356	0.7
103.05405	1.7
105.04436	1.0
105.07021	10.0
106.06500	0.7
107.08598	9.8
109.06529	5.0
110.09619	1.1
111.04450	5.1
115.05390	2.6
117.07021	5.8
119.04941	7.9
119.08573	3.7
120.08089	0.9
121.05738	0.6
121.06490	8.3
122.09663	6.9
123.04424	46.6
125.05954	1.2
129.06909	2.9
131.08572	4.3
133.06482	35.2
133.10054	1.1
134.06783	1.0
134.09599	2.3
135.08051	11.7
136.11119	0.8
137.05971	29.3
141.06898	1.1
142.07751	5.1
145.06346	1.0
145.10104	0.8
147.08000	2.1
147.11617	1.6
149.05911	1.4
150.08070	0.7
150.09145	8.1
151.07489	1.0
157.10121	27.7
159.07990	2.0
159.11673	4.4
160.08772	2.2
160.11116	1.1
162.12848	1.1
163.07471	2.8
165.99179	0.6
166.08543	0.9
168.10182	8.1
172.08737	0.9
175.11174	70.9
176.11531	1.5
182.11798	7.5
187.11168	3.9
203.10620	1.1
205.12244	3.5
260.16449	0.7
298.17728	0.7
316.15430	8.2
317.15900	0.8
354.20767	1.1
372.21680	100.0
373.21948	5.4
377.38519	0.7
414.18771	0.8
415.20160	0.8
418.90109	0.7
432.18454	1.1
432.23828	6.8
502.35416	1.5
520.36609	1.6
534.27277	0.8
576.28156	18.6
577.28540	1.1
592.27380	0.7
594.29041	84.1
595.29333	6.6
768.39447	34.2
769.40045	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	768.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	5.3
55.05468	1.6
65.03887	2.0
67.05441	8.6
69.03384	1.3
69.74148	1.6
69.74532	1.4
70.06542	1.1
79.05492	7.2
80.04992	4.1
81.07052	14.9
90.42480	0.6
91.05478	14.7
93.07043	9.2
94.06511	2.5
95.04961	6.7
95.08604	25.3
97.02792	2.2
103.05448	0.8
105.07034	9.4
107.08590	11.0
109.06514	4.8
110.09629	1.2
111.04436	5.2
115.05362	1.3
117.07004	5.1
119.04953	6.1
119.08556	3.5
120.08100	0.9
121.06492	6.4
122.09653	6.5
123.04426	46.6
123.44711	0.7
125.05975	0.9
129.06921	2.3
131.08582	4.4
133.06485	27.4
133.10020	1.4
134.09575	2.5
135.08040	10.9
137.05972	26.8
142.07774	5.0
145.06398	1.6
145.10118	0.9
147.08046	1.9
147.11617	1.6
148.11176	0.8
150.09134	9.0
151.07518	1.0
157.10123	21.2
159.07979	1.6
159.11662	3.7
160.08800	1.3
162.12694	1.5
162.83685	0.7
163.07544	3.5
168.10201	9.4
169.10028	0.7
175.11183	54.0
176.11443	1.2
182.11745	6.1
187.11169	2.6
205.12328	3.9
208.13263	0.8
220.13469	0.8
240.13510	0.7
316.15344	3.4
340.18936	0.8
354.20230	0.8
370.19949	0.8
372.21674	100.0
373.21964	4.7
422.44144	0.8
432.23822	3.8
576.28125	11.5
592.27472	1.3
594.29034	77.4
595.29199	4.3
768.28497	2.2
768.39557	46.5
769.40314	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	769.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.6
59.04999	0.6
60.10070	0.3
61.05189	0.3
67.05508	1.4
68.05034	0.3
69.03429	3.6
69.44897	1.4
70.06238	0.3
70.06595	4.6
76.23012	0.2
79.05502	1.1
80.05000	0.4
81.07059	0.5
82.06577	0.8
83.01317	0.4
83.07395	0.4
84.08128	2.2
91.05489	0.8
93.07025	0.5
94.06559	0.9
95.07347	0.3
95.08610	0.9
96.08125	1.9
97.08912	1.0
98.22785	0.6
99.04411	0.4
105.07014	1.1
107.08587	0.5
108.08133	1.2
109.06535	0.4
109.08852	0.3
109.10137	0.4
110.09675	3.4
112.36532	0.3
117.31161	0.3
119.08574	0.4
120.08054	0.6
121.08882	0.3
122.09702	1.7
123.08047	0.3
124.11220	0.6
125.06023	0.5
127.03921	0.3
131.08598	0.3
133.06514	0.3
134.09653	1.3
135.08064	0.6
135.10469	0.6
136.11205	0.9
137.11952	0.3
138.09175	1.3
138.12799	1.0
143.08556	0.7
145.10210	0.3
147.08060	0.4
148.11244	0.4
149.05969	0.7
150.09163	0.5
150.12779	0.4
151.07520	0.6
151.30814	0.3
152.10686	0.5
155.07060	0.5
159.32878	0.3
160.11220	0.5
161.09694	0.7
162.12787	1.2
163.07518	0.3
164.14340	0.5
165.05414	0.5
165.09132	0.3
166.12302	0.3
167.07094	0.6
171.08090	0.4
173.09705	0.3
179.07059	0.5
181.08594	0.8
182.11778	0.6
183.06522	0.5
184.13342	1.0
189.09142	0.8
190.15886	0.9
191.10680	0.4
196.13358	1.3
198.14885	4.5
203.10687	0.3
207.06465	0.4
210.15041	0.4
217.08786	0.4
222.15009	0.8
224.16428	0.5
231.10170	0.4
234.08842	0.4
236.16434	0.7
244.16740	0.3
246.14888	8.3
247.09668	8.4
247.12265	0.4
249.11250	4.6
250.11807	0.3
250.18047	2.2
274.18137	0.4
278.21112	1.4
288.15903	0.3
290.17877	0.4
302.13922	0.4
302.17496	0.3
316.15344	0.3
318.16879	1.4
320.18533	5.1
329.16013	0.4
334.20132	6.9
342.17139	0.6
344.18552	13.5
345.18771	0.5
374.19467	1.9
400.21341	0.6
402.19550	0.4
417.21429	2.0
418.22229	9.9
419.22690	0.4
432.23819	31.0
433.24158	1.4
450.24875	100.0
451.25183	4.0
496.80551	0.3
689.38513	0.3
719.86835	0.3
770.31805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
55.05507	1.0
57.03437	4.2
61.02913	3.1
68.99784	3.1
69.03429	18.5
70.06589	9.7
71.01353	1.4
71.04980	3.3
72.30762	0.8
73.02910	5.1
79.05511	3.8
81.03415	24.2
81.07105	0.8
83.01343	1.0
85.02903	56.1
87.00825	21.5
87.01234	0.7
91.05482	1.5
95.04966	1.3
97.02885	21.0
98.06068	1.5
99.04455	9.8
103.05459	3.3
105.01865	23.0
105.07024	100.0
106.07364	1.4
108.04491	2.9
109.02876	32.9
117.01862	2.9
125.02320	1.1
126.05504	1.7
127.03907	56.1
129.01820	2.6
129.10368	0.8
137.05923	1.5
145.04958	17.6
145.06084	1.3
147.02896	1.8
147.55109	0.8
151.03802	0.8
153.09071	1.6
159.02893	10.8
159.75014	0.7
163.03952	1.0
165.09091	1.3
177.05519	1.0
179.10770	1.3
182.79251	1.0
189.03903	2.2
193.04906	0.9
199.88950	0.8
212.10313	0.8
213.03931	9.0
213.12300	1.3
218.53723	0.7
220.68277	0.7
231.04976	21.0
231.07272	1.1
240.11351	0.9
248.07674	2.1
249.06033	5.0
255.13652	1.9
257.15356	68.8
258.15585	2.1
259.04352	0.8
273.06134	7.1
274.74973	0.9
293.94266	0.8
307.26138	1.0
339.07092	1.8
357.08054	1.5
425.07416	0.8
443.07880	0.8
487.19662	0.9
505.20676	2.1
717.80914	0.9
735.08496	0.8
770.37714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05510	0.4
57.03433	0.8
57.07046	0.1
59.04988	0.1
61.02912	0.4
63.02381	0.1
63.65122	0.1
65.03944	0.3
67.05500	2.0
68.99789	0.6
69.03423	3.4
69.07061	0.9
69.54778	0.1
70.70935	0.2
70.71279	0.1
71.04997	0.9
73.02921	0.7
77.03912	0.8
79.05492	0.8
81.03413	6.1
81.07059	1.0
83.04979	0.3
83.08607	0.7
85.02901	6.5
87.00822	2.5
91.03945	0.3
91.05474	6.1
93.03394	1.0
93.07042	8.1
94.07379	0.1
95.04961	3.7
95.08614	0.8
97.02890	3.6
97.06523	0.2
97.10140	0.2
99.04460	1.2
102.04717	0.1
103.04002	0.2
103.05468	5.2
105.01865	1.5
105.04517	1.5
105.07031	0.8
107.04967	0.8
107.08569	0.6
109.02876	5.5
109.06492	0.1
109.10149	2.0
111.08085	0.4
115.03899	0.2
117.01818	0.2
117.07012	0.4
118.06500	0.1
119.04962	0.1
119.08577	0.7
121.06500	100.0
122.06824	1.5
122.09681	0.1
123.04443	0.2
123.11704	0.1
125.09520	0.2
127.03908	7.1
128.10716	0.1
129.01825	0.3
129.06998	0.3
131.08574	0.3
133.06528	0.1
133.10139	1.1
135.08054	0.2
137.09581	0.4
139.03870	0.2
140.10706	0.6
143.08542	0.2
145.04959	2.7
145.06473	0.4
145.10112	0.2
147.08044	0.1
147.11697	0.3
149.02335	7.4
149.09641	0.2
151.11185	0.4
155.10617	0.1
157.10110	0.3
159.02892	0.9
161.09604	0.4
163.03899	0.2
163.06268	0.2
163.07515	0.9
163.11162	0.1
167.03415	0.6
171.08044	0.2
173.11746	0.4
175.11227	0.4
179.10632	0.1
187.07535	0.2
189.11191	0.1
193.12303	0.8
195.02925	0.5
205.08594	12.0
206.08958	0.4
211.13336	0.2
213.03929	6.2
223.09641	1.8
229.08630	0.2
231.04980	7.6
232.05325	0.2
233.11798	0.2
247.09677	0.2
249.06018	0.1
249.14940	0.2
267.15884	2.5
289.10770	0.1
289.25366	0.1
307.26215	0.2
309.16510	0.1
311.19989	0.2
325.14380	0.5
329.21069	0.7
331.17474	1.8
333.09708	0.1
343.15375	0.3
351.10818	0.1
367.13452	0.1
369.11725	0.2
403.24689	0.8
410.32373	0.6
417.11716	0.3
421.25809	5.0
428.33893	0.2
435.12878	0.8
453.13895	4.2
454.14413	0.2
471.15024	3.2
473.25443	0.1
486.89709	0.1
491.26340	1.5
523.29132	1.0
528.32312	0.1
770.35547	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	770.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.1
55.05516	22.7
57.03445	10.8
57.07052	1.5
57.90047	1.0
59.05000	2.0
61.02926	3.5
61.73173	1.0
65.03948	3.8
67.05508	55.5
67.05869	2.7
67.31110	1.0
68.87193	1.0
69.03432	5.8
69.07076	20.2
69.60653	2.4
69.60981	1.9
70.06598	1.8
71.05000	7.5
72.03086	1.0
73.02905	1.9
77.03940	1.9
79.05497	53.4
81.03423	15.9
81.07059	60.5
83.01347	3.1
83.04986	18.8
83.08633	13.6
85.02910	6.5
85.06549	6.2
91.05485	57.1
91.06061	2.4
93.07048	60.9
95.04979	18.3
95.08617	27.2
97.02901	4.0
97.06557	11.3
97.10192	3.8
99.04462	4.2
99.08080	2.5
105.04539	2.4
105.07034	47.9
107.04978	11.5
107.08600	43.4
107.09334	1.2
109.02914	1.7
109.06535	9.8
109.10165	38.0
111.04470	4.0
111.08090	5.3
113.06020	3.7
117.07021	13.8
119.08588	20.4
121.06526	8.0
121.10155	11.4
123.04420	2.0
123.08063	7.1
123.11694	6.9
125.05962	1.9
125.09631	1.9
127.07540	1.5
128.06238	2.2
129.07030	5.4
130.07845	2.0
131.08569	11.2
133.06535	2.9
133.10135	51.2
135.08018	6.3
135.11700	11.6
137.09628	2.6
139.07584	1.3
142.07774	1.1
143.08566	6.8
145.06459	2.1
145.10123	15.2
147.08060	5.7
147.11702	13.0
149.09604	9.4
149.13278	2.8
151.11179	19.3
153.12747	1.3
155.08522	1.8
157.10149	3.9
159.11722	5.5
161.09615	7.1
161.13229	5.7
163.11182	14.2
169.12236	2.7
171.11691	7.8
173.09621	2.3
175.11238	3.2
179.14209	1.7
181.12277	2.4
187.11176	1.7
189.12788	4.3
193.12276	2.1
195.13922	2.1
207.13756	6.7
209.11786	3.9
211.13374	2.1
212.05920	1.1
215.12733	2.5
227.12816	2.3
239.18195	1.2
245.19034	2.9
251.12926	1.6
253.14359	100.0
254.14597	2.3
255.17703	1.3
257.18988	1.8
263.20074	2.3
267.15979	1.7
269.17459	7.1
273.18533	15.3
275.20093	3.9
281.17502	16.6
283.15417	36.3
284.15646	1.6
291.19580	19.2
309.20468	1.9
329.21295	1.7
347.22195	6.5
349.23706	4.7
365.23288	21.3
366.23660	2.0
390.99704	1.3
461.29022	7.9
475.24503	2.2
475.30701	41.2
476.30948	1.5
477.24127	1.4
479.26431	21.1
493.28226	1.6
555.35486	7.8
573.34070	51.5
574.34283	2.6
603.01874	1.2
669.61920	1.3
770.50226	1.4
771.38666	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	770.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.3
55.05252	1.9
55.05515	24.9
57.03441	8.3
59.04994	1.5
61.02924	2.7
65.03960	1.7
67.05508	31.7
69.03439	11.0
69.07071	25.9
69.93996	1.4
69.94346	2.1
70.06593	3.7
71.01337	1.2
71.04999	4.0
73.02917	1.8
79.05499	33.1
81.03419	13.1
81.07062	31.8
83.01339	5.7
83.04988	10.2
83.08626	14.5
85.02898	4.8
85.06542	2.4
91.05488	27.5
91.06062	1.6
93.07048	31.1
95.04973	13.1
95.08604	12.9
97.02902	10.0
97.06523	6.1
97.10175	9.9
99.04477	3.0
105.04552	1.7
105.07031	20.6
107.04951	12.0
107.08596	17.7
109.02844	1.2
109.06528	6.2
109.10153	9.1
111.04450	2.8
111.08108	3.1
115.05434	1.6
117.07022	11.3
119.04999	1.2
119.08586	17.8
121.06509	5.1
121.10159	8.9
123.08092	7.3
125.05993	1.1
125.09663	7.9
129.07005	6.5
130.07828	2.1
131.08580	10.2
133.06487	2.6
133.10121	7.5
134.07234	1.0
135.08098	4.6
135.11710	10.4
137.09647	1.7
143.08575	4.0
145.06487	1.8
145.10130	13.9
147.08078	4.6
147.11702	4.8
149.09633	2.5
151.11189	1.8
153.12825	2.1
155.08537	1.6
157.10152	2.9
159.11746	2.6
161.09641	2.6
163.11189	15.3
165.09059	1.1
171.11664	3.2
173.09578	1.2
181.12289	2.0
185.13240	1.6
189.11209	3.0
189.12756	1.5
193.12300	1.6
205.12198	2.3
207.13817	1.4
209.11691	4.2
223.13307	15.1
227.12747	6.5
249.14861	2.8
253.14575	1.5
255.17448	1.3
267.16010	2.1
273.18481	13.9
281.17505	3.0
283.15411	64.6
284.15680	2.1
285.17044	1.4
291.19559	93.5
292.19766	2.5
347.22357	1.8
357.64154	1.2
363.21921	1.6
365.23227	47.1
366.23462	1.2
367.77066	1.1
381.23102	1.5
435.56076	1.0
453.24942	1.4
493.27866	4.1
555.35504	2.2
573.34222	100.0
574.34375	4.6
601.25952	3.2
608.44672	1.3
770.49817	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	770.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
55.05258	1.5
55.05510	20.4
57.03439	10.0
57.07097	1.2
59.04998	1.7
65.03940	2.3
67.05505	25.1
69.03432	6.3
69.07072	5.8
69.49598	4.2
71.04991	6.8
77.03899	1.1
79.05492	24.8
79.06209	1.2
81.03416	66.2
81.07059	27.2
83.04983	9.6
83.08624	22.6
83.09098	1.8
85.02903	8.2
85.06572	1.4
91.05479	25.6
93.07040	21.0
95.04971	26.7
95.08612	11.5
97.02881	5.3
97.06523	5.8
97.10170	19.6
99.04454	1.6
99.08089	1.9
103.05470	1.8
105.07030	21.4
107.04958	15.0
107.08594	15.5
109.06514	9.2
109.10153	9.5
111.04449	4.1
111.08088	8.5
113.05989	1.1
115.05438	1.9
117.07026	9.2
119.04925	2.0
119.08588	18.4
121.06507	11.4
121.10145	11.9
123.04414	2.2
123.08077	3.9
123.11754	2.0
125.09639	19.0
127.03908	2.3
128.06291	1.3
129.07007	12.1
131.04933	2.1
131.08560	14.4
133.06499	6.0
133.10127	9.1
134.06044	1.8
135.08022	5.7
135.11691	3.1
136.09399	1.1
137.09616	3.2
139.11136	1.5
141.07016	2.3
142.07832	2.1
143.08568	5.6
145.06491	6.4
145.10104	6.7
147.04404	1.9
147.08049	5.4
147.11679	13.0
149.09634	7.1
153.09094	2.8
153.12712	1.3
155.08565	2.4
157.06558	1.3
157.10129	13.1
159.08012	1.9
159.11710	2.7
161.09615	2.0
163.07608	1.5
163.11205	2.9
165.12740	2.2
167.08661	1.8
169.10150	3.1
171.08054	1.8
171.10207	1.9
171.11665	3.1
173.04491	1.1
173.09657	2.9
173.13205	2.1
175.07527	1.3
175.11179	10.7
177.12805	1.9
180.10220	1.3
181.10204	1.3
185.13245	1.4
187.11267	2.1
189.11235	5.8
189.12683	1.9
191.14296	1.3
193.12239	25.3
195.08099	1.5
195.11732	1.9
197.13214	1.7
199.11217	2.8
205.12207	1.9
211.11342	2.3
211.13219	9.5
213.12712	2.2
215.10844	1.1
215.14279	2.6
217.12387	2.1
219.13811	1.9
219.17413	1.6
227.12646	6.7
231.13884	2.0
233.15396	7.3
237.12686	1.6
245.15352	1.5
249.14960	2.0
255.13834	2.3
267.15900	42.7
273.14746	5.3
283.15729	1.2
285.16910	4.0
293.17502	1.6
301.14285	3.3
309.17221	1.3
323.98376	1.0
339.23065	3.6
349.21683	4.3
357.24054	2.1
367.22650	15.2
375.18018	1.8
385.23724	21.4
403.24820	6.8
421.25961	2.4
429.21185	3.0
433.25815	3.1
441.26282	9.1
459.27420	89.1
460.27899	4.9
477.28470	100.0
478.28799	6.2
486.35751	4.4
491.30075	15.8
501.28403	2.2
504.36832	2.0
509.31192	14.4
519.29852	1.9
522.37659	4.3
573.30066	1.8
585.30554	6.6
603.31439	5.8
621.32568	7.1
727.38226	2.0
770.42511	3.1
771.37146	4.3
776.26257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01648	1.4
55.01872	10.0
55.05514	30.2
57.03435	11.4
57.07069	2.5
65.03945	3.3
67.05505	78.1
68.07327	1.5
69.03432	7.2
69.07071	30.1
69.79101	1.7
69.79434	3.5
70.02774	1.3
71.05004	7.5
71.05376	1.3
73.06569	2.1
77.03941	2.8
79.05496	90.0
81.03418	18.1
81.07057	78.5
83.04985	22.1
83.08621	15.5
85.02911	5.0
85.06559	5.1
86.09711	5.8
91.05481	81.8
93.07047	92.7
95.04980	27.0
95.08606	44.9
96.08945	1.5
97.02888	3.0
97.06530	18.3
97.10174	9.6
99.04455	2.4
99.08077	2.1
103.05509	1.6
105.04536	5.9
105.07033	59.6
106.07422	2.3
107.04952	16.6
107.08595	39.5
109.02900	2.8
109.06506	11.1
109.10167	14.8
111.08094	5.4
113.05963	2.1
115.05421	2.5
117.07037	19.4
119.08580	41.1
119.09427	2.9
120.08111	2.0
121.06532	6.8
121.10146	18.3
123.08083	8.4
123.11730	3.5
125.09641	6.0
127.03944	2.8
128.06245	4.6
129.05531	2.0
129.06996	16.8
131.08586	16.5
133.06529	2.7
133.10124	28.1
135.08083	4.6
135.11705	14.6
137.09651	2.5
141.06978	3.8
143.08591	11.3
145.06454	1.4
145.10136	23.8
147.08072	3.5
147.11682	37.3
149.09613	13.2
149.13275	6.3
151.11215	3.7
155.08618	2.3
156.09471	1.6
157.10167	3.7
159.11731	12.7
161.09650	4.8
161.13243	15.9
163.11195	13.3
165.12679	2.7
169.10194	3.2
171.11700	23.0
173.04489	3.0
173.13286	4.5
173.61765	1.4
175.11220	1.7
177.12796	6.1
179.14404	1.6
181.12386	3.0
184.07344	1.7
187.11226	2.1
189.11292	2.6
189.12804	8.4
195.13747	2.0
201.12830	1.8
207.13838	24.4
227.12804	17.8
239.17816	1.7
253.14346	12.4
255.15974	5.0
257.19009	9.2
259.20587	2.7
267.15955	3.0
269.17523	12.6
273.18558	3.5
275.20081	33.2
279.15891	2.3
281.17487	76.6
282.17981	1.8
283.15341	10.3
291.19568	4.3
293.21353	2.0
313.21478	1.8
331.22827	2.5
333.24182	3.1
347.22269	2.0
349.23743	22.8
365.23120	4.2
367.24829	2.6
377.23489	1.6
413.21402	1.9
435.27420	5.1
451.26642	3.8
459.30701	2.1
461.29031	25.7
475.30582	100.0
476.30859	4.1
479.26181	3.6
493.27875	1.7
515.33569	3.5
537.35364	3.0
555.36853	55.7
556.36865	4.3
573.33887	8.9
595.31018	1.8
608.44391	2.2
619.34247	3.9
770.49994	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
55.05514	9.5
57.03430	5.6
57.07080	1.7
61.02929	14.5
65.03963	1.2
67.05507	20.6
69.03435	6.8
69.07069	10.7
71.04994	1.5
71.44968	1.1
73.02914	7.4
79.05492	16.5
81.03410	3.8
81.07059	23.2
83.04982	1.8
83.08620	5.4
85.02915	11.6
85.06551	1.4
91.03946	7.0
91.05484	15.4
93.07046	13.1
95.04981	3.1
95.08609	16.4
97.02885	10.9
97.06496	2.7
97.10171	2.9
97.53987	1.1
99.04458	1.3
101.02391	2.2
105.07034	13.0
107.04970	1.2
107.08601	12.1
109.02894	1.3
109.06551	1.4
109.10156	8.7
111.04420	1.4
117.07014	7.2
119.08591	11.9
121.06482	1.2
121.10133	7.3
123.08067	1.3
123.11710	3.0
125.09626	1.7
127.03902	2.1
128.06255	2.1
129.06999	9.8
131.08569	14.0
133.10112	7.8
135.11720	5.5
137.13283	1.0
141.06999	4.1
142.07788	2.0
143.08571	10.2
145.10133	11.4
147.11713	5.0
149.09618	1.3
149.13300	2.3
155.08549	8.0
156.09195	1.6
157.10147	11.3
159.11703	7.9
161.13286	2.6
167.08578	4.4
169.10107	9.5
171.11671	9.4
173.13280	4.5
179.08621	2.3
181.10159	4.3
183.11674	10.0
184.07335	1.8
185.13284	7.2
187.14821	2.9
193.10118	2.1
195.11691	6.6
197.13214	9.4
197.17268	1.2
199.14833	5.9
201.16464	1.4
207.11678	1.8
209.13297	5.0
211.14848	4.9
213.16438	2.8
221.13293	3.3
223.14832	3.2
225.16394	4.3
227.17943	2.7
235.14787	1.2
237.16351	3.6
241.19614	1.7
249.16505	1.6
251.18013	1.3
265.19589	1.9
315.18048	3.2
323.23810	1.3
335.25809	4.7
351.26797	1.2
353.24796	1.2
365.28397	1.1
501.36038	1.3
517.40234	5.5
535.41266	2.8
539.37463	2.4
543.36713	2.1
545.38098	3.0
575.40015	2.2
591.44061	7.1
600.09637	1.2
607.42432	1.8
609.45117	100.0
610.45563	5.9
651.46240	1.2
753.50116	1.8
755.94171	1.3
771.40900	38.6
772.42133	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	772.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.4
55.05512	19.3
57.03444	14.8
57.07072	1.9
59.04998	2.6
59.53874	1.4
59.73870	1.6
61.02919	3.6
65.03930	2.0
67.05161	2.9
67.05508	47.9
67.05865	3.2
69.03429	10.5
69.07068	18.1
69.21404	6.4
69.21806	2.7
70.06580	3.9
70.29295	1.5
70.76591	1.5
71.05003	13.6
72.31152	1.4
79.05493	42.5
80.05874	1.9
81.03419	61.8
81.07057	42.3
83.04979	13.4
83.08629	20.9
85.02903	14.6
85.06532	4.5
91.05476	33.6
93.06467	1.7
93.07048	41.1
95.04975	50.2
95.08608	27.4
97.02896	14.3
97.06523	10.1
97.10159	10.0
99.04437	4.0
99.08097	1.8
103.05496	2.2
105.07028	23.8
107.04962	14.0
107.08607	21.4
109.02893	7.3
109.06509	8.8
109.10165	17.9
111.04440	9.6
111.08067	7.1
113.05965	1.5
115.03967	3.3
115.05389	2.6
117.07056	10.2
119.08574	19.1
120.08127	1.7
121.02831	2.7
121.06500	20.5
121.10146	31.2
122.06821	5.7
123.04427	12.5
123.07229	1.7
123.08064	9.8
123.11728	4.8
125.05988	4.6
125.09628	10.0
127.03920	5.6
129.06995	10.8
131.04898	3.3
131.08575	15.7
133.06494	5.4
133.10152	9.6
135.08052	6.9
135.11708	10.2
137.05954	5.8
137.09644	3.5
139.11121	7.4
143.08569	3.5
145.04950	2.7
145.06502	6.5
145.10139	19.2
147.08032	6.7
147.11679	8.9
149.09637	12.1
149.13272	2.1
151.07553	2.2
155.08559	2.9
157.10117	11.0
159.07988	1.8
159.11700	4.2
161.05933	2.7
161.09587	4.2
161.13242	2.5
163.11195	15.4
165.09128	4.4
165.12799	2.0
167.10684	4.2
169.10133	3.6
171.08075	2.0
171.11729	3.7
173.04591	1.9
173.09622	9.7
173.11768	2.3
175.07568	1.8
175.11165	10.1
185.11691	1.9
185.13197	2.7
187.07547	2.5
187.11166	3.0
189.09129	2.6
189.11250	4.6
189.12799	4.3
191.10609	8.3
193.12228	15.4
195.06375	1.7
199.11232	1.7
205.12273	2.1
207.13792	3.8
209.11736	14.8
215.10759	1.9
217.12292	4.5
219.13814	2.7
223.13303	6.1
227.12724	5.1
229.14386	6.5
231.13730	1.9
233.11829	2.9
234.14993	2.7
235.13271	18.3
241.14294	14.4
247.13350	1.8
249.14819	4.8
259.15378	20.7
262.17978	2.2
265.14276	4.2
267.15939	33.6
268.10666	1.6
271.13416	2.5
273.14713	2.2
273.17239	2.2
273.25705	2.2
283.15411	9.3
285.16776	2.0
291.26791	4.1
301.16409	7.2
307.26288	2.2
309.16946	15.8
309.27771	5.8
315.18112	2.7
321.17178	2.6
327.28952	3.5
355.22592	2.8
365.21066	4.4
375.07098	1.9
383.22238	15.4
386.19479	5.8
388.21103	3.0
401.23132	8.1
419.24332	3.5
421.25793	3.6
433.25668	8.0
439.24976	2.1
447.27460	6.2
457.25784	19.6
460.31351	2.7
465.28314	3.2
475.26923	100.0
476.27087	5.8
478.32401	1.7
489.28171	3.2
493.27972	58.5
494.28598	2.1
495.33755	1.8
507.29398	11.0
511.29196	4.4
517.27850	3.5
525.30420	4.4
589.29364	1.9
601.29541	1.9
611.24835	5.3
619.30603	4.2
637.31549	3.8
676.94281	1.7
772.40802	5.9
773.38983	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	772.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.0
55.05515	33.5
56.96572	3.0
57.03441	23.2
57.07090	1.9
59.04700	1.6
59.05005	29.2
61.02901	1.8
65.03944	3.8
67.05506	91.0
69.03426	6.8
69.07069	14.6
69.70923	5.3
70.06589	3.0
71.01360	2.8
71.04993	22.7
77.03918	2.2
78.83993	1.7
79.05496	48.7
80.05845	1.8
81.03421	100.0
81.07061	45.9
81.07468	1.0
81.07549	1.7
82.07350	1.5
83.04983	19.5
83.05452	2.4
83.08628	27.6
85.02905	10.9
85.06543	6.0
87.04469	25.8
91.05481	44.7
93.07048	40.2
95.04970	34.8
95.08614	19.7
97.02909	7.7
97.06538	9.4
97.10177	17.4
98.23380	2.9
98.97620	1.6
99.04475	11.2
99.08089	1.7
101.06043	2.3
103.03942	1.5
105.04506	2.7
105.07034	29.2
106.07362	1.9
107.04961	20.5
107.08595	28.2
109.02879	3.7
109.06534	10.0
109.10159	53.4
111.04453	11.9
111.08087	12.1
114.71373	1.8
115.05489	4.5
117.06994	8.4
119.08576	27.3
120.48679	1.4
121.02877	3.2
121.06519	12.4
121.10140	19.3
123.04433	7.0
123.08060	5.6
124.07600	3.0
125.06038	2.1
125.09658	13.7
127.03900	3.8
129.05498	1.6
129.07018	16.4
131.00194	2.4
131.04962	3.9
131.08560	22.8
133.06483	5.1
133.10138	14.4
135.04428	6.0
135.08090	7.8
135.11684	10.2
137.06018	4.5
137.09573	3.7
141.07068	2.1
142.07744	3.1
143.08556	4.3
145.04971	2.0
145.06512	2.8
145.10146	13.5
147.04459	2.6
147.08052	7.4
147.11684	14.5
149.01254	2.6
149.06009	1.7
149.09613	18.2
153.09109	3.8
153.12744	9.1
155.08528	2.8
155.10672	3.5
157.06406	1.6
157.10101	16.1
159.08093	3.9
159.11719	2.6
161.05956	4.5
161.09656	2.9
161.13249	1.9
163.07536	1.7
163.11214	15.9
165.09128	1.9
165.12756	3.8
167.10748	2.3
169.10059	3.1
171.06306	1.9
171.10229	2.3
171.11713	3.9
173.09651	5.8
173.11745	12.3
173.13177	2.9
175.11183	17.1
181.12225	6.6
183.11760	1.9
184.07297	2.0
185.13226	3.8
187.07452	2.2
187.11287	4.0
189.09549	2.7
189.11241	16.1
189.12790	3.1
191.10667	7.0
193.12259	58.0
199.13269	6.9
203.14296	3.2
205.12259	3.0
207.13695	1.8
209.11658	13.6
211.11459	2.1
211.13287	48.7
215.10574	1.7
217.14435	2.1
219.13820	3.1
223.13304	2.2
225.14845	14.7
227.12764	25.5
229.12230	3.2
229.14357	37.4
231.13857	4.0
234.14911	3.8
235.13312	6.2
241.14357	2.1
243.13876	1.8
247.13203	9.3
249.14832	15.9
251.12646	2.2
253.14325	2.4
256.09091	1.6
259.15570	2.1
262.18106	2.5
267.09277	7.8
267.15927	62.6
268.09460	3.6
268.16232	3.4
273.14789	3.7
275.12909	1.9
277.14444	1.8
283.15472	18.0
284.08676	2.1
285.10196	3.9
308.18967	1.8
309.17053	3.0
315.18076	4.5
333.19159	2.8
337.21667	4.5
339.23221	1.9
347.20062	2.4
355.22665	10.4
365.20950	9.4
373.23593	6.3
383.22165	30.6
386.19629	7.6
388.20895	1.6
397.24008	1.9
401.23239	24.3
409.25818	3.1
415.24765	4.7
419.24149	3.4
421.25858	26.0
429.26431	1.9
433.25903	7.3
447.27213	3.2
451.26749	2.8
457.25757	8.1
459.26816	1.8
475.26947	29.0
476.27246	2.2
486.16656	2.6
489.28458	4.5
493.27917	9.9
502.16632	2.9
506.31567	1.9
507.29520	26.8
508.29123	2.0
524.32568	1.8
525.30731	13.2
563.20081	2.0
575.35938	2.2
650.26257	1.8
651.33978	2.4
728.38458	6.4
772.36865	17.2
773.39758	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	772.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.5
55.05515	32.2
57.03439	19.2
59.05001	31.1
61.02927	3.5
65.03945	3.6
67.05506	78.6
69.03426	8.4
69.07076	17.2
70.06573	4.5
70.33715	1.7
70.55472	1.8
71.01358	3.8
71.04997	30.3
79.05497	47.5
81.03420	100.0
81.07059	51.1
82.03780	2.1
83.04987	19.6
83.08622	35.5
85.02923	11.8
85.06551	7.5
87.04474	30.7
91.05486	47.6
93.07050	42.0
95.04976	39.5
95.08610	20.6
96.08191	2.5
97.02897	10.9
97.06547	11.0
97.10181	20.7
99.04459	10.8
99.08125	3.3
102.63499	1.9
103.05481	2.4
105.04520	2.3
105.07030	30.8
106.36565	1.8
107.04967	18.4
107.08598	26.2
109.02898	3.2
109.06502	12.3
109.10166	52.5
111.04453	12.7
111.08087	12.2
115.05459	5.9
117.07028	10.7
119.05006	1.6
119.08585	27.2
120.04533	2.2
121.02851	4.4
121.06511	11.5
121.10146	20.2
122.09707	2.6
123.04449	6.0
123.08069	8.6
123.11736	2.6
125.06013	4.7
125.09642	19.8
127.03918	2.4
128.06227	3.2
129.07010	17.9
131.04910	2.2
131.08577	23.3
133.06497	6.6
133.10127	16.7
135.04427	7.2
135.08040	6.5
135.11717	11.9
137.05968	6.2
137.09645	4.9
142.07787	3.1
143.08594	5.4
144.80612	2.1
145.06451	2.8
145.10135	13.7
147.04475	2.6
147.08063	8.0
147.11668	20.5
149.05980	2.3
149.09630	24.9
151.11162	2.8
153.09128	6.0
153.12730	13.0
155.08582	4.6
157.06516	4.0
157.10130	24.1
159.08000	2.4
159.11667	4.1
161.06020	3.4
161.09685	3.4
162.12796	2.3
163.11197	15.0
165.12865	3.0
167.10724	4.9
169.10181	3.8
171.07997	2.6
171.11682	3.9
173.09665	6.6
173.11772	9.9
173.13071	2.1
175.07625	3.4
175.11154	20.3
179.07132	1.8
181.12273	9.4
184.37166	1.9
185.13234	3.9
187.11200	3.9
189.09230	2.1
189.11226	13.6
189.12715	3.3
191.10715	6.9
193.12241	64.8
195.11766	2.2
197.15382	4.7
199.13329	7.8
201.12807	2.3
203.14336	4.5
205.12234	4.1
207.13727	2.3
209.11711	16.2
211.11415	2.6
211.13292	55.0
213.12796	2.7
215.10670	3.6
217.14351	2.2
219.13885	3.0
223.13358	6.6
225.14827	12.0
227.12767	21.1
229.12279	3.7
229.14326	37.4
231.13853	7.6
233.11755	3.3
234.14963	6.9
235.13332	6.0
241.14380	3.1
247.13254	7.0
249.14827	18.9
259.13260	4.6
262.18060	4.9
267.09146	3.9
267.15930	76.5
268.16489	2.4
273.14871	4.9
275.12961	2.8
277.14288	2.7
283.15372	19.7
285.09949	3.7
309.17017	4.1
315.18082	7.1
323.88351	1.9
337.21539	6.1
347.19943	3.3
355.22656	10.5
365.21179	10.7
365.24924	2.0
373.23737	7.7
383.22162	33.2
386.19730	14.1
388.20923	3.4
401.23160	24.0
409.25647	2.4
415.24567	5.1
419.24307	3.2
421.25848	28.5
422.26544	3.0
433.26041	8.9
447.27289	4.3
457.25900	11.3
459.27466	2.1
473.09933	2.0
475.26877	29.8
476.26865	3.6
485.16751	4.3
489.28793	2.9
493.27771	10.1
507.29404	28.2
525.30634	13.0
529.27563	2.9
554.03009	2.0
728.38959	2.9
771.03461	1.8
772.40436	21.2
773.39606	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.6
55.05511	29.4
57.03443	15.9
57.07067	2.3
59.05006	4.0
61.02927	4.9
65.03938	2.9
67.05505	54.2
67.05868	2.8
69.03428	7.0
69.07075	20.4
71.01347	1.6
71.04984	7.5
73.02908	1.6
74.61849	1.1
76.49345	1.0
77.03948	1.6
79.05496	50.5
81.03419	25.8
81.07057	66.6
83.01334	7.1
83.04982	20.7
83.08617	23.0
85.02904	11.4
85.06544	4.2
89.48848	1.1
91.05482	46.1
93.07048	63.5
95.04973	21.0
95.08608	24.8
97.02888	5.7
97.06525	16.8
97.10179	5.7
98.23538	1.8
99.04475	4.1
99.08099	2.8
100.15483	1.2
105.04520	1.7
105.07029	32.6
107.04966	13.6
107.08594	33.9
109.02886	1.9
109.06521	10.8
109.10168	14.0
111.04429	2.3
111.08066	8.7
112.37531	1.3
113.09644	1.3
115.05470	2.6
117.07014	16.8
119.08588	23.5
121.06499	7.6
121.10141	19.5
123.04411	2.0
123.08060	10.5
123.11713	3.4
125.06028	1.9
125.09636	5.0
127.03914	3.0
128.06256	1.4
129.05537	2.3
129.07016	5.5
130.07848	2.4
131.08562	14.6
133.06506	1.7
133.10130	29.0
135.08109	6.1
135.11688	21.9
137.09616	4.1
139.11147	1.5
141.06923	1.3
143.08566	4.0
145.06429	1.3
145.10127	22.8
147.08101	4.1
147.11702	6.7
149.09583	9.8
149.13263	8.8
151.11150	5.8
153.12773	1.6
155.08536	2.0
157.10181	5.2
159.11665	9.0
161.09570	2.1
161.13210	1.7
163.11182	24.3
165.12712	1.3
169.10181	1.6
169.12280	1.3
171.11655	2.5
173.04547	1.7
173.09657	5.3
173.13289	3.4
175.11206	4.1
177.12778	3.3
177.14622	1.0
181.12254	4.5
189.11180	1.6
191.10753	3.1
193.12201	6.5
195.13913	3.6
197.13287	2.2
209.11728	4.4
211.13240	9.1
223.13336	1.4
227.12775	6.7
229.19562	1.8
239.17947	1.5
247.20564	1.4
253.14316	7.1
255.15927	8.5
257.18985	4.1
265.14523	1.6
267.15997	7.9
269.17471	25.8
273.18539	5.1
275.20044	13.8
283.15396	75.3
284.15570	1.9
285.16971	9.1
291.19598	9.2
293.21231	1.3
349.23785	14.1
365.23352	6.8
367.24841	2.1
386.19617	1.9
413.21652	2.4
459.27338	4.2
463.26926	22.7
464.27051	2.5
465.29962	1.3
477.28473	100.0
478.28641	6.0
481.27448	2.2
539.33539	3.7
557.34784	25.3
558.35016	2.2
575.35712	17.4
621.32147	2.4
773.40619	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	1.4
55.01876	21.3
55.05510	51.3
57.03177	2.0
57.03436	26.2
57.07084	2.2
59.04989	4.9
61.02922	6.0
65.03935	5.0
67.05506	80.6
69.03426	17.1
69.07066	48.5
69.55893	4.0
69.56282	2.8
71.01331	2.6
71.04990	13.0
73.02904	3.3
77.03918	1.6
79.05493	80.1
81.03419	51.4
81.07055	93.5
82.07378	2.4
83.00919	1.4
83.01353	9.0
83.04977	31.5
83.08619	41.3
85.02911	28.5
85.06528	4.8
91.03958	3.4
91.05477	69.1
93.07044	79.3
95.01290	1.6
95.04972	33.1
95.08605	42.0
97.02889	15.5
97.06525	19.6
97.10165	27.6
99.04451	5.2
99.08098	4.7
101.70765	1.6
103.05447	2.6
105.04510	4.1
105.07024	54.3
107.04948	26.1
107.08590	55.0
109.02877	3.2
109.06522	16.8
109.10152	16.3
111.04439	5.0
111.08090	11.8
113.05978	2.0
115.05392	2.0
116.06210	2.2
117.07018	25.8
118.07320	1.6
119.08585	49.2
121.06500	9.6
121.10149	28.6
123.04411	1.7
123.08069	16.7
123.11689	4.0
125.06001	2.1
125.09628	20.9
127.03898	5.2
128.06250	2.6
129.06995	14.8
130.07811	2.7
131.04929	1.6
131.08568	29.6
133.06488	5.7
133.10127	28.6
135.08055	8.7
135.11696	23.6
137.09612	6.1
139.07515	1.5
142.07730	3.5
143.08549	6.0
145.06506	4.1
145.10133	34.9
147.08037	11.2
147.11708	16.7
149.09636	20.8
149.13234	8.9
151.11169	4.2
153.12764	4.8
155.08556	4.9
156.58914	1.5
157.10143	14.2
159.08089	1.7
159.11662	13.1
161.09584	2.5
161.13237	5.0
163.11180	36.8
165.09158	1.6
165.12740	4.0
169.10112	3.0
171.10287	2.7
171.11717	4.7
173.04492	2.1
173.09612	5.6
173.13297	4.4
175.11218	11.4
177.12767	4.3
179.14278	3.0
181.12241	3.6
183.11713	3.3
189.11201	10.9
191.10683	4.8
193.12265	24.7
195.13858	4.9
197.13286	2.5
205.12247	2.6
209.11743	10.3
211.11566	1.1
211.13277	40.3
223.13277	16.7
227.12750	41.3
229.14305	2.9
229.19423	2.2
233.15344	1.7
239.18007	2.5
240.18709	1.9
245.13774	2.2
247.20660	2.1
249.14894	2.2
255.15923	5.0
257.18967	12.1
267.15900	30.0
269.17438	16.4
273.18436	13.1
275.20071	37.9
276.20392	2.7
283.15387	100.0
284.15753	2.9
285.16983	39.9
291.19534	79.7
292.19733	3.4
293.21054	1.6
331.22568	4.8
347.22192	2.1
349.23746	38.1
365.23218	40.9
367.24957	2.2
386.19727	2.1
413.21500	2.1
413.34454	1.6
437.25275	4.3
453.24707	7.8
459.27151	4.0
461.28906	4.1
463.26877	17.9
477.28485	72.5
478.28552	3.0
502.99768	2.0
517.31769	1.6
529.34863	3.2
539.33258	6.3
557.34729	88.5
558.34924	5.5
575.35754	61.9
576.36047	4.3
597.29419	1.7
621.32800	2.4
636.20825	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	772.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.9
55.05261	2.2
55.05511	31.3
57.03222	1.4
57.03445	17.6
57.07082	2.1
61.02925	5.3
65.03942	3.1
67.05508	68.8
67.05867	3.5
69.03441	12.9
69.07066	24.8
69.11670	9.4
71.04990	10.5
73.02934	3.5
77.03909	3.1
79.05495	58.5
81.03423	74.7
81.07061	91.1
83.04979	29.1
83.08626	30.8
84.37126	1.4
85.02902	22.8
85.06548	8.0
87.04502	1.6
91.05483	89.0
92.19170	1.6
93.07047	50.8
94.07363	1.6
95.04967	39.4
95.08611	30.7
97.02885	6.6
97.06535	16.9
97.10187	7.9
98.22623	2.9
99.04462	3.3
99.08060	4.4
103.05494	2.2
105.04574	3.6
105.07031	71.5
107.04972	15.7
107.08598	46.1
109.02866	1.6
109.06529	14.9
109.10162	54.2
111.04449	5.2
111.08083	12.0
113.06013	4.7
115.05429	3.2
115.07575	2.9
117.07019	11.7
119.08576	31.7
121.06508	9.5
121.10156	15.6
123.04409	2.3
123.08064	6.9
123.11707	11.3
125.09613	6.2
127.07543	4.3
128.06238	1.8
129.07021	17.6
131.08572	24.0
133.06519	9.3
133.10136	79.0
135.08066	10.8
135.11696	6.7
137.09608	4.8
142.07840	3.9
143.08548	6.2
145.06499	2.0
145.10120	12.5
147.08028	7.1
147.11685	17.4
149.09610	12.7
149.13292	2.9
151.11186	30.4
157.10132	18.1
159.08054	2.8
159.11729	3.6
161.09665	6.6
161.13261	2.4
163.11208	6.5
165.12781	2.6
169.10100	1.8
169.12256	4.2
169.95810	1.8
171.11687	3.9
173.09602	3.4
175.11217	16.5
179.10635	3.3
189.12822	2.0
193.12263	45.6
195.13707	1.9
205.12286	2.9
211.13295	75.7
215.12825	4.5
223.13284	4.0
227.12772	3.2
234.14856	2.0
245.18990	4.2
251.12831	2.5
252.75743	1.6
253.14348	100.0
254.14639	2.6
255.17369	2.6
263.20053	3.7
267.15921	29.4
269.17572	2.0
271.15482	3.4
273.18509	25.0
275.20090	3.9
283.15594	3.7
285.16968	65.9
291.19550	40.4
304.29968	1.6
309.20682	2.2
347.22156	10.9
349.23944	1.8
365.23245	39.0
445.25797	3.5
461.29010	2.7
463.26944	25.3
477.28244	3.8
481.27991	31.6
495.29456	2.6
539.33337	7.8
543.36700	2.5
557.34741	31.5
575.35797	76.6
576.36157	3.4
773.39911	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	772.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.6
55.05514	22.1
57.03440	13.1
57.07085	1.9
59.04999	2.5
61.02931	3.4
65.03947	2.7
67.05507	59.5
67.15044	1.0
69.03436	3.2
69.07072	15.4
71.01363	3.1
71.05010	5.4
71.55384	1.1
73.02924	1.5
73.12301	0.9
77.03950	1.1
79.05499	46.4
81.03416	23.3
81.07059	55.3
83.01334	2.5
83.04980	12.8
83.08626	9.9
85.02917	7.7
85.06555	3.4
86.09708	2.8
91.05484	30.6
93.07050	63.0
95.04962	13.3
95.08610	41.6
97.02901	10.3
97.06545	9.4
97.10175	3.7
99.04479	3.4
99.08068	1.3
105.04502	2.6
105.07032	19.8
107.04949	15.0
107.08597	29.0
109.02928	1.1
109.06509	8.2
109.10157	14.3
111.04445	20.5
111.08100	4.5
113.06010	1.9
117.07026	12.0
119.08592	18.3
121.06509	5.2
121.10148	25.3
123.08092	6.2
123.11713	4.5
125.06000	4.2
125.09642	3.1
129.07033	4.0
130.07773	2.3
131.08566	13.8
133.10141	7.6
135.08092	3.0
135.11685	18.9
137.09610	3.3
143.08554	2.5
145.06456	2.3
145.10114	21.2
145.11211	1.6
147.08049	4.0
147.11723	5.8
149.09644	2.6
149.13226	5.2
153.12766	6.2
155.08566	2.5
157.10127	2.2
159.11717	4.6
161.13264	4.7
163.11197	26.4
163.14781	1.6
166.05009	1.0
169.10106	1.2
171.11780	1.8
173.09679	7.3
173.11865	1.2
173.13293	4.0
175.14816	1.9
177.12764	1.6
181.10194	0.9
181.12236	4.8
182.12675	1.1
183.11633	1.2
184.07343	6.1
185.13234	1.7
187.11310	1.4
187.14780	1.9
189.09207	1.1
191.10660	7.0
193.12158	1.1
209.11760	10.1
223.13315	17.2
227.12750	8.0
241.14325	25.0
243.21123	1.9
259.20569	1.9
261.22177	8.9
265.14392	6.1
267.15985	1.4
283.15439	16.1
297.17017	2.4
299.23602	2.6
315.18024	47.6
317.24716	2.0
335.25815	95.8
336.26114	3.6
433.30795	1.3
451.32114	3.8
469.32858	3.0
507.34363	1.2
525.35718	12.1
543.36816	68.7
544.36853	3.5
546.38159	1.6
557.38239	1.3
561.38110	1.8
575.39453	100.0
576.39734	7.1
605.23340	1.3
610.45087	2.6
682.41901	3.0
772.40173	2.1
772.52869	2.4
773.40112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.3
55.05511	29.6
57.03440	18.7
57.07077	4.1
59.05004	4.3
61.02928	5.3
65.03941	4.8
67.05505	78.8
67.33369	1.5
68.05821	1.4
69.03424	5.0
69.07066	23.8
69.83603	4.3
70.06596	1.7
71.01351	5.7
71.04995	8.1
77.03893	1.3
79.05497	66.6
81.03419	34.0
81.07058	74.0
83.01348	3.9
83.04973	16.9
83.08632	15.7
85.02908	13.3
85.06548	6.6
87.05748	1.5
91.03956	2.2
91.05482	45.4
93.07045	68.1
95.04958	19.0
95.08607	52.0
95.09214	2.7
96.85503	1.3
97.02885	14.8
97.06527	17.0
97.10187	6.6
99.04444	3.7
99.08109	2.3
103.05470	1.8
105.04536	2.3
105.07026	24.5
106.07333	1.3
107.04963	20.6
107.08592	36.8
109.06508	14.4
109.10160	20.6
111.04443	32.8
111.08091	5.3
111.11747	1.5
113.06014	4.1
115.05470	1.6
117.07014	20.4
119.08575	26.8
121.06515	11.2
121.10148	32.1
123.08076	8.2
123.11716	4.1
125.05974	10.4
125.09627	3.9
128.06219	1.7
129.07045	6.3
130.07787	1.9
131.04935	2.1
131.08578	22.4
133.10088	10.0
135.08043	5.0
135.11702	29.9
136.12088	1.6
137.09595	4.8
139.07527	1.9
143.08566	4.0
145.06497	2.7
145.10118	35.2
147.08051	6.7
147.11713	6.1
149.09610	3.5
149.13261	5.8
153.12755	13.4
155.08545	6.0
157.10146	2.4
159.11729	7.1
161.09647	1.9
161.13301	3.7
163.11194	40.1
163.12601	2.1
163.14873	1.8
167.08543	1.6
169.10121	3.3
171.10306	1.4
171.11743	2.7
173.09657	9.9
173.13240	4.0
175.14888	1.6
177.12863	1.6
181.12216	8.1
183.11699	2.3
185.13194	2.8
187.14890	2.7
191.10693	12.0
193.12328	2.4
195.13858	2.4
199.14771	1.9
209.11676	13.9
209.13168	1.4
213.16354	1.8
223.13263	29.5
223.15244	2.1
227.12764	12.1
241.14331	47.2
243.21129	3.6
259.20551	2.2
261.22150	10.5
265.14334	5.4
267.15900	2.2
283.15369	29.0
297.16965	2.4
299.23837	4.2
315.18011	78.5
317.24832	4.2
330.26453	1.6
335.25800	100.0
336.26065	4.5
339.23303	1.4
386.19687	3.8
433.30951	4.3
451.32047	5.9
469.32990	2.1
522.20251	1.6
525.35706	17.2
543.36823	94.2
544.37219	3.4
575.39398	75.7
576.39667	2.9
609.44849	2.1
610.45776	10.1
736.03717	1.8
772.42157	6.2
772.51831	4.0
773.40466	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	773.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
67.05517	0.3
67.10406	0.1
69.03429	0.2
69.66702	0.4
69.71648	0.1
70.06250	0.1
70.06591	1.8
71.05009	0.7
79.05499	0.1
82.06570	0.3
83.07365	0.2
84.08142	12.0
85.02908	0.7
91.05462	0.2
93.07043	0.3
94.06567	0.2
95.08590	1.2
96.08124	0.6
97.08899	0.5
99.04449	0.2
101.20172	0.1
103.03918	0.2
108.08141	0.6
109.08878	0.2
110.09667	0.3
122.09664	3.1
123.08067	0.2
123.10429	0.4
124.11249	0.7
127.03886	0.6
129.05464	0.5
134.09644	0.5
135.10410	0.5
136.11218	2.3
137.12004	2.5
138.12761	0.4
140.10674	0.3
141.09056	0.1
145.10120	0.2
148.11224	0.1
150.09131	0.5
150.12744	0.3
152.10690	0.2
161.11891	0.1
162.12787	0.8
164.14357	1.4
165.15112	0.2
166.15898	0.2
168.10231	0.2
169.31923	0.1
172.11147	0.1
174.12677	0.1
175.11235	0.2
176.14348	0.2
192.13824	1.0
194.11789	0.2
210.14890	17.8
211.15303	0.4
211.51881	0.1
214.95406	0.2
234.14874	0.2
236.12851	0.2
236.16452	3.6
251.12775	0.1
252.15968	0.2
264.15942	2.5
276.19507	0.3
292.19150	0.2
294.20572	0.3
317.94510	0.1
320.18561	11.5
321.18860	0.3
336.17825	0.3
337.18375	0.2
338.19589	100.0
339.19931	3.0
436.19653	6.5
437.19766	0.3
459.18073	0.3
487.26282	0.1
565.56012	0.1
602.85162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71349	0.8
58.52468	0.9
59.63104	0.8
70.10023	2.3
78.89449	0.9
81.94732	0.9
93.07042	1.5
101.45327	0.8
107.08537	1.1
234.14966	1.0
367.56342	1.1
386.19830	3.2
617.53174	0.9
669.42401	2.0
773.44452	100.0
774.44519	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	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.9
55.05511	30.1
56.28886	1.3
56.61323	1.3
57.03439	22.1
57.07063	2.3
58.35122	1.3
61.02931	5.1
65.03943	4.3
67.05505	70.7
69.03435	11.9
69.07068	24.4
70.06197	4.0
71.01373	1.4
71.05002	7.9
71.76135	1.3
73.02924	3.7
77.03948	1.7
79.05493	60.8
81.03421	71.8
81.07056	76.6
83.01385	1.5
83.04974	19.9
83.08624	31.4
85.02905	29.0
85.06548	5.2
86.94576	1.4
91.03958	2.2
91.05476	59.5
93.07046	61.1
95.04967	34.3
95.08611	26.6
96.08133	2.9
97.02915	6.8
97.06534	14.9
97.10193	5.8
99.04483	3.1
99.08099	3.9
105.04534	2.9
105.07034	45.6
107.04948	12.4
107.08599	33.6
109.06536	7.8
109.10134	9.6
111.04459	2.4
111.08086	12.9
113.06010	2.5
115.05466	2.1
117.07025	16.3
119.04893	1.4
119.08588	38.4
120.67922	1.5
121.06511	5.0
121.10155	21.9
123.08080	5.9
123.11717	4.3
125.09651	3.1
127.03942	3.1
128.06277	2.1
129.05478	2.7
129.07004	13.1
131.08571	24.1
133.06499	4.8
133.10132	27.2
135.08101	3.9
135.11705	12.0
137.09630	3.3
138.12811	5.7
141.06921	1.9
142.07802	3.3
143.08595	3.2
145.10141	11.7
147.08083	4.1
147.11673	20.6
149.09627	17.7
149.13251	10.7
151.11226	2.3
155.08542	1.9
157.10146	16.3
159.11726	8.6
161.13254	4.0
162.12738	3.2
163.11130	7.3
165.12778	3.5
169.10164	3.6
171.11751	1.8
173.04448	2.7
173.13344	3.4
175.11174	14.9
176.14388	1.7
177.12749	4.6
179.14296	1.6
181.10173	1.4
181.12193	2.0
183.11700	3.8
186.39227	1.5
187.11176	3.0
193.12253	43.2
195.13826	5.2
197.13239	2.1
204.13866	8.4
211.13298	68.0
227.12883	4.7
234.14874	1.6
247.20753	2.0
249.14906	1.7
255.15912	12.1
257.19113	5.9
260.16519	1.6
267.15903	41.0
269.17474	39.0
270.17831	2.0
275.12811	2.7
275.20102	21.9
285.16983	75.8
291.19400	1.6
293.17413	1.5
293.21011	2.4
301.14114	1.8
349.23712	21.9
367.24860	5.2
370.83459	1.4
387.24561	1.6
388.21185	51.5
405.26285	2.2
413.21747	2.0
421.25070	1.6
443.28134	3.6
447.27426	13.1
461.28967	41.9
462.29175	2.6
465.28494	20.6
479.30029	100.0
480.30402	5.0
485.80756	1.7
495.28943	1.6
501.62347	1.9
523.33990	1.7
541.35272	15.5
559.36481	25.3
577.37457	7.7
599.31750	1.4
605.33258	1.5
623.34558	2.1
774.39368	3.6
775.41107	34.1
786.15094	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	14.1
55.05515	45.2
57.03442	25.6
61.02937	6.2
65.03943	3.2
67.05158	4.5
67.05509	84.9
69.03425	14.1
69.07070	46.9
71.05000	10.8
77.77382	2.4
79.05499	77.6
81.03422	94.0
81.07056	100.0
83.04978	28.6
83.08623	42.8
85.02905	38.0
85.06526	5.4
91.05487	78.7
93.07045	72.7
95.04404	4.8
95.04970	44.4
95.08601	40.5
96.08146	4.0
97.02885	10.2
97.06529	21.8
97.10175	21.3
99.08095	4.7
103.05442	3.2
105.04494	3.4
105.07034	68.9
107.04985	25.6
107.08601	53.3
109.06521	10.2
109.10159	17.7
109.41009	2.4
111.04436	5.9
111.08099	16.8
113.05988	4.0
115.05455	3.2
116.80151	2.4
117.07021	20.5
119.08591	50.4
121.06502	7.9
121.10139	28.4
122.09666	2.8
123.08078	8.7
123.11745	4.0
125.09641	15.5
127.03938	3.0
129.07011	26.0
131.08554	32.2
133.06436	3.8
133.10129	36.8
134.10614	2.4
135.08069	8.9
135.11685	11.0
137.09615	7.3
138.12778	7.4
141.06999	4.1
142.07747	2.6
143.08557	6.9
145.06506	3.7
145.10117	18.1
146.54901	2.8
147.08047	5.4
147.11697	34.9
149.09607	26.6
149.13243	9.0
151.11221	3.3
155.08632	4.1
157.10115	22.1
159.08011	2.8
159.11760	18.0
161.13307	4.8
163.11166	14.0
165.12772	6.8
171.10243	3.0
173.13245	5.3
173.44427	2.6
175.11174	17.5
177.12692	4.0
179.14232	4.5
183.11690	3.7
189.11282	9.0
193.12267	59.8
195.13927	3.2
204.13925	9.1
211.13292	87.1
227.12776	25.0
229.14427	3.1
229.19473	4.1
239.17809	4.3
247.20587	3.4
255.15840	6.4
257.19052	10.2
267.15958	43.1
269.17551	17.3
275.12747	4.3
275.20087	58.0
285.16995	86.0
293.21075	4.6
349.19885	4.9
349.23767	48.2
350.23965	2.7
367.24741	3.6
386.19562	3.7
387.19928	4.0
388.21243	53.8
437.25452	4.2
439.26581	3.8
447.27805	4.7
455.26233	7.5
461.28757	18.7
465.28195	8.8
479.30106	45.1
541.35260	27.2
559.36359	59.6
560.36438	3.1
564.28833	3.1
577.36859	5.2
707.91748	2.9
710.34314	2.8
774.39569	5.6
775.41669	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
55.05516	23.2
56.86621	1.2
57.03440	21.4
57.07078	2.9
61.02925	1.6
61.06154	1.2
65.03947	3.8
67.05510	67.4
68.56023	1.2
69.03432	3.3
69.07075	14.7
69.77899	4.0
71.05003	4.6
77.03940	1.2
79.05498	49.9
81.03423	100.0
81.07062	74.0
83.04530	1.0
83.04977	7.0
83.08624	28.0
85.02930	1.6
85.06554	3.3
91.05484	35.6
93.07050	53.9
95.04974	34.7
95.08612	52.2
97.02902	3.4
97.06557	4.7
97.10175	9.0
105.04536	2.8
105.07038	35.5
107.04938	7.2
107.07917	2.4
107.08598	29.7
108.54414	1.2
109.06507	7.0
109.10166	25.1
111.04435	1.8
111.08102	8.1
111.35647	1.1
115.05456	2.2
117.07020	9.9
119.08589	26.3
120.38065	1.2
121.06503	4.3
121.10157	26.2
123.04436	2.4
123.08102	2.1
123.11710	8.7
125.09644	6.0
128.06171	1.4
129.07030	13.5
131.08582	21.4
133.06516	3.0
133.10141	17.1
135.08043	2.3
135.11693	15.3
137.09622	5.0
137.13222	2.6
142.07770	1.5
143.08582	2.2
145.10138	12.6
147.04443	1.6
147.08051	4.5
147.11700	18.7
149.09648	7.3
149.13287	8.7
153.09102	1.5
155.08647	1.8
157.10146	15.0
159.08006	1.9
159.11717	8.2
161.13353	5.8
163.11218	3.0
163.14861	3.9
165.12790	1.8
169.10048	1.8
171.11732	1.6
173.13278	5.6
175.11229	10.1
175.14827	3.0
177.16379	1.8
183.11664	1.5
187.14900	4.5
189.11241	3.1
191.10638	1.5
193.12267	23.5
201.16397	1.7
210.77357	1.4
211.13205	1.8
227.12793	7.8
235.13283	1.4
238.07762	1.1
243.21060	7.2
249.14919	3.2
261.22159	19.0
267.15927	86.2
267.82886	1.4
268.16348	1.9
272.38184	1.2
301.25262	6.7
309.17114	1.6
315.23215	1.3
317.24817	1.8
327.32141	1.3
335.25824	80.6
336.26245	3.8
388.21069	3.5
401.77139	1.4
421.26047	3.7
435.27252	2.3
435.32510	3.2
453.33508	7.4
471.34738	3.4
509.36105	2.0
527.37421	55.1
528.37451	2.8
545.38409	45.9
546.38336	2.6
559.39832	1.9
569.38245	3.9
635.38983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05511	20.8
57.03436	19.8
57.07072	2.0
61.02922	1.3
65.03930	2.8
67.05505	60.3
69.03421	4.1
69.07063	14.2
69.18404	4.8
71.04978	3.4
77.03908	1.5
79.05492	45.3
81.03415	86.6
81.07056	66.3
82.07350	1.0
83.04999	6.0
83.08619	24.6
85.02881	2.5
85.06541	3.1
91.05481	36.6
93.07041	46.9
94.07347	1.3
95.04969	32.3
95.08602	43.1
97.02887	2.6
97.06525	4.3
97.10171	7.0
98.23567	1.6
99.08057	2.1
105.04514	1.0
105.07027	28.6
107.04953	7.7
107.08593	27.6
109.06499	4.5
109.09422	1.5
109.10154	22.6
111.04439	1.9
111.08057	8.1
114.85213	0.9
115.05421	2.0
117.07024	8.1
117.80126	0.9
119.04919	1.4
119.07737	1.5
119.08581	23.2
121.06499	4.5
121.10144	26.4
123.04444	1.2
123.08043	5.4
123.11695	6.7
125.09621	4.0
128.06291	1.0
129.07001	10.5
131.08560	18.2
133.06485	4.0
133.10124	15.7
135.08025	1.9
135.11690	14.1
137.05988	1.1
137.09608	2.7
137.13235	1.5
142.07791	2.0
143.08566	2.2
145.06453	1.0
145.10123	11.0
147.08023	4.8
147.11679	14.9
149.09599	5.1
149.13264	7.7
151.11145	1.1
157.10136	11.6
159.11691	9.0
161.13280	4.8
163.11160	2.7
163.14816	3.6
165.12767	2.1
169.10124	1.7
171.10196	1.6
171.11617	2.6
173.13272	4.8
175.11177	10.9
175.14799	3.1
177.12721	1.1
183.11699	1.3
184.07346	1.4
185.13266	1.9
187.14809	4.5
189.11237	3.0
189.12782	1.2
189.16481	1.2
191.14371	1.1
193.12224	23.1
197.13277	1.0
199.14731	1.3
199.28778	0.9
201.16460	1.7
211.13284	1.3
227.12769	6.4
235.13376	2.4
243.21040	5.8
249.14833	2.9
259.13156	1.3
261.22147	20.9
267.15903	100.0
268.16306	2.9
273.14911	1.4
279.23230	2.1
285.16962	1.3
301.14456	2.2
301.25198	7.9
303.23260	1.2
309.16922	2.6
317.24759	3.0
319.15494	1.0
333.16824	1.4
335.25797	98.7
336.26096	3.6
359.25571	1.4
388.20981	4.5
417.26190	1.7
421.25775	2.8
435.27051	2.3
435.32523	5.4
449.28619	1.2
453.33536	7.3
461.28229	1.2
471.34702	4.7
504.24036	1.0
509.36371	2.0
527.37329	63.0
528.37372	4.2
545.38342	50.4
546.38538	4.0
559.39691	1.8
569.38068	6.1
623.39032	1.1
775.40759	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	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05255	1.5
55.05508	16.9
57.03437	16.9
57.07074	2.7
58.17425	0.9
63.25032	0.9
65.03931	1.8
67.05504	52.7
69.03426	3.5
69.07067	14.5
69.18244	3.6
69.18652	1.7
70.99755	0.9
71.04988	3.2
77.03873	1.3
79.05492	39.2
79.05951	2.1
81.03415	81.5
81.07056	55.4
81.07434	1.2
83.04978	4.1
83.08618	23.1
85.02916	2.7
85.06548	3.2
91.05474	27.3
93.07044	40.6
95.04968	30.4
95.08603	40.2
97.02895	2.7
97.06545	3.8
97.10151	6.8
98.22601	1.7
99.08101	1.4
105.04565	1.5
105.07027	24.4
107.04979	7.2
107.08588	25.1
109.06525	5.2
109.10162	21.7
111.04397	1.9
111.08079	7.2
115.05440	1.6
117.07025	8.3
118.17947	1.4
119.08570	23.6
121.06483	3.8
121.10141	25.2
121.10988	1.8
123.04477	1.1
123.08082	2.3
123.11707	7.4
125.09615	3.9
129.06992	8.8
131.08556	16.7
132.21367	0.9
133.06465	2.7
133.10146	15.5
135.06848	1.0
135.08063	1.7
135.11693	13.1
137.09610	3.5
137.13252	2.1
142.07742	1.8
143.08575	1.8
145.10114	12.5
147.08055	3.8
147.11687	13.3
149.09599	5.2
149.13263	6.0
151.11172	1.3
155.08568	1.0
157.10130	11.4
159.11705	7.6
161.13277	5.2
163.11169	1.9
163.14809	4.2
165.12737	2.6
169.10092	2.0
171.11749	1.4
173.13173	5.0
175.11212	11.0
175.14751	2.0
177.12596	1.8
177.16397	1.4
179.14360	1.0
184.07330	1.5
185.13243	1.8
187.14850	2.7
189.11220	2.5
189.16399	1.3
191.45830	1.1
193.12251	23.3
197.13191	1.7
199.14777	1.7
201.23621	1.2
210.85728	1.1
211.13266	1.3
223.13197	1.6
227.12801	6.7
243.21118	5.3
249.14789	3.1
259.20477	1.0
261.22153	16.9
267.15897	100.0
268.16190	2.6
285.21997	1.5
299.23651	1.5
301.14517	1.6
301.25143	5.1
309.17004	2.2
317.24768	4.4
333.24417	1.2
335.25793	72.8
336.26059	4.1
359.25854	1.5
388.21085	3.5
403.24857	1.5
421.25760	2.1
435.27295	2.2
435.32370	4.9
453.33444	5.0
461.28592	1.4
463.54288	1.0
471.34637	3.3
505.92892	1.0
509.36359	2.5
527.37329	56.3
528.37579	4.1
545.38361	53.1
546.38409	3.6
559.39893	2.2
569.38116	2.1
577.41730	1.4
653.40442	1.2
671.41333	1.6
775.41345	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	775.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	19.6
66.94440	1.5
69.15352	1.7
69.93293	4.3
69.93620	1.5
84.96031	4.4
86.84353	1.6
91.32013	1.5
98.97584	78.3
110.97564	19.4
112.05761	1.6
112.99117	21.4
116.98618	28.1
124.99139	5.7
128.97734	2.4
128.98604	16.8
131.00171	34.1
134.99651	5.0
140.00261	4.6
140.98607	4.6
143.00174	17.6
146.99666	6.9
149.01221	32.6
152.98607	4.0
154.01776	3.0
155.00172	2.8
158.99649	33.9
161.01201	9.6
167.02290	5.0
170.99648	42.4
172.02788	2.7
173.01250	11.0
177.00705	31.0
180.97878	2.2
182.99635	3.0
185.01213	9.4
189.00703	32.6
191.02272	7.9
192.97821	2.8
194.99597	1.5
195.01837	1.9
199.02698	7.9
200.02309	4.5
201.00714	11.6
203.02290	8.3
209.01324	2.9
212.02341	4.3
213.00667	5.0
215.02190	3.4
215.47342	1.5
217.03867	6.0
217.99673	1.5
219.01799	23.2
221.03287	2.1
227.02280	2.2
231.01810	2.8
233.03410	3.5
237.02805	9.4
242.03293	3.2
261.02780	23.3
275.04358	9.4
279.03864	27.0
279.06641	2.5
291.03885	6.0
293.05438	41.1
297.04944	6.3
302.05460	5.2
309.05014	4.6
311.06479	14.5
316.07083	2.1
317.17871	25.0
321.04922	100.0
335.06363	1.8
335.18964	8.9
339.06143	5.2
347.06244	2.6
362.07419	5.0
369.94360	1.8
381.07083	7.9
387.39682	1.7
388.21198	2.4
393.82526	1.7
437.09656	27.7
455.10666	54.0
477.08542	2.4
539.25507	8.5
553.26672	10.0
699.35101	4.8
715.32117	62.9
716.32373	3.6
737.29999	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	775.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10062	0.3
55.01826	1.4
55.05464	1.2
57.03393	1.0
61.02923	3.3
63.67865	0.3
65.03880	0.3
67.05503	3.7
68.04972	0.5
69.03427	4.5
69.07015	1.4
71.04930	1.0
73.02924	2.0
79.05499	3.8
80.04978	0.4
81.03358	1.4
81.07064	3.1
82.06534	0.6
83.01295	1.1
83.04924	1.0
83.07320	0.6
83.08558	1.3
83.08973	0.3
84.08084	0.3
85.02905	3.2
87.04418	0.3
91.03960	1.9
91.05479	4.2
93.07041	3.7
94.06525	0.9
95.04899	1.5
95.08597	1.9
96.08124	3.3
98.09650	0.6
99.04423	1.1
101.02312	1.1
105.07016	2.7
106.06490	1.1
107.04891	1.2
107.08600	2.3
108.08082	0.5
109.02831	0.4
109.06459	1.1
109.10075	1.2
110.09614	0.3
111.04445	0.4
111.08028	0.4
117.06942	1.4
119.08569	1.9
120.08112	2.0
121.06435	1.2
121.10094	1.3
122.09628	0.6
123.04378	0.4
123.08004	1.2
126.09080	0.4
127.03906	1.6
128.06151	0.7
129.06970	0.8
130.06528	0.5
131.08502	1.2
132.08070	0.4
133.06454	0.7
133.10072	1.5
134.09616	0.8
135.07964	0.7
135.11629	1.0
136.11218	2.1
137.05939	0.4
138.11763	0.6
138.12769	8.3
141.05394	0.4
141.07033	0.5
143.08554	0.6
145.06424	0.5
145.10037	1.3
146.05852	0.4
146.09657	0.4
147.06848	0.4
147.08009	0.6
147.11636	0.7
148.07526	0.6
148.11203	0.4
149.02281	0.5
149.05978	0.5
149.09593	0.4
152.10619	0.5
153.05376	0.5
154.12251	0.4
155.03316	1.1
155.06993	0.6
155.08459	0.5
159.07974	1.0
160.11090	0.3
161.09508	0.5
162.09071	0.9
162.12744	3.3
163.11194	1.6
164.10683	0.9
164.14297	0.5
165.05408	1.2
167.07007	0.5
169.10083	0.4
171.11635	0.4
173.05898	0.5
173.09639	0.5
174.12778	0.6
175.07477	0.6
175.11179	0.5
176.14301	2.0
178.15804	0.5
179.07005	0.7
182.11711	0.5
183.06483	0.9
184.07275	1.0
185.04089	0.5
186.12683	0.4
187.07559	0.4
188.14279	0.5
189.09079	0.5
190.12216	0.8
193.12164	0.4
201.09126	0.4
202.12135	0.5
204.13838	11.1
204.17361	0.4
205.08604	0.4
205.12079	0.4
205.14435	1.1
206.15335	0.8
207.06424	0.4
208.13271	0.3
215.10522	0.3
217.08571	0.5
232.16902	1.2
233.08008	0.9
234.18552	0.7
243.08290	2.1
247.09613	0.8
249.11092	0.7
257.11667	0.4
259.13242	0.3
260.16513	1.8
262.17847	0.5
263.09109	0.5
270.18359	0.4
273.11267	3.2
275.12753	6.0
283.15353	0.5
288.15836	0.4
313.17694	0.9
314.17593	1.2
331.18790	1.6
341.17462	0.6
360.21713	1.4
370.20190	0.9
388.21170	77.8
389.21442	2.2
455.30731	0.4
467.18961	6.5
531.25677	1.1
539.22479	0.4
549.26495	1.7
551.28308	0.6
677.31110	1.8
706.31525	0.6
743.38794	0.6
757.37836	5.6
758.37238	0.7
775.40009	100.0
776.40332	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	775.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.0
55.05511	2.3
57.03433	1.3
61.02926	2.9
65.03928	0.4
66.11849	0.3
67.05505	2.3
68.04980	0.4
69.03430	4.5
69.07069	2.0
71.01302	0.5
71.04931	0.9
73.02922	2.1
77.03900	0.3
79.05489	2.9
80.04990	0.6
81.03417	2.4
81.07056	3.5
83.01295	0.8
83.04931	0.8
83.07330	0.4
83.08550	1.2
85.02902	3.0
87.04427	0.3
91.03957	1.7
91.05479	3.1
93.07039	3.5
94.06548	0.4
95.04977	1.3
95.08611	1.5
96.08134	2.5
97.02892	3.2
97.10104	1.2
98.06043	0.3
99.04408	1.0
100.11218	0.4
101.02338	1.2
105.07040	2.6
106.06498	0.5
107.04915	1.0
107.08595	2.0
109.02839	0.4
109.06453	1.0
109.10093	0.8
111.08021	0.5
117.06947	1.0
119.04903	0.4
119.08572	1.7
120.08051	1.0
121.06451	0.9
121.10075	0.9
123.08014	0.9
124.11196	0.4
125.05938	0.3
125.09572	0.8
125.78973	0.3
127.03900	1.3
128.10709	0.4
129.06955	0.6
130.06412	0.4
131.08508	1.1
133.06407	0.6
133.10059	0.8
134.09624	0.6
135.08018	0.6
135.10347	0.3
135.11638	0.8
136.11247	1.3
137.05923	0.6
137.09567	0.6
138.11771	0.4
138.12769	6.2
141.05397	0.3
143.08478	0.6
145.06464	0.6
145.10114	1.7
147.07985	0.5
147.11610	0.3
147.60060	0.2
148.07518	0.7
150.09114	0.4
153.05479	0.3
154.12221	0.5
155.03345	1.1
155.06979	0.6
157.10179	0.4
159.08023	0.5
159.11665	0.4
161.09680	0.3
162.09077	0.9
162.12782	2.4
163.11172	1.5
164.10582	0.3
164.14313	0.4
165.05508	0.5
167.07016	0.6
173.05905	0.4
173.09624	0.7
175.07498	0.6
175.11122	0.4
176.14308	1.7
178.15933	0.4
180.13908	0.3
183.06412	1.0
185.04227	0.3
186.12755	0.4
187.11128	0.4
188.14262	0.6
190.12224	0.6
197.09634	0.5
201.43370	0.3
203.05087	0.3
204.13826	8.4
205.08717	0.4
205.14601	0.5
206.15359	0.6
208.13443	0.3
215.10616	0.4
216.17458	0.3
217.08517	0.5
218.09352	0.3
221.08095	0.5
223.13292	0.8
229.08414	0.5
232.16924	0.8
233.08060	0.5
234.18365	0.6
243.08336	2.5
247.09657	0.9
249.11115	0.6
253.08487	0.3
260.16577	1.6
260.18951	0.3
262.17978	0.4
263.09167	0.3
273.11273	2.0
275.10046	0.5
275.12772	4.9
283.15533	0.5
285.11230	0.5
291.19513	1.2
314.17526	0.8
330.16888	0.5
331.18774	1.1
341.17413	0.4
360.21585	1.0
369.22812	0.3
370.20245	0.5
387.21201	0.8
388.21170	57.1
389.21518	1.8
467.18967	6.1
467.25409	0.4
535.33826	0.3
539.21515	0.4
549.26715	3.8
757.39465	0.4
775.39600	100.0
776.39685	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	775.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46589	0.2
62.50690	0.2
65.05306	0.2
66.53127	0.2
69.03427	5.1
69.19884	1.0
70.06593	2.3
71.05003	0.3
79.05473	0.3
80.34778	0.2
81.07047	0.3
84.08118	0.3
93.07031	0.3
94.06544	0.4
95.04933	0.3
95.08599	0.4
96.08118	0.6
97.06526	0.3
100.41248	0.2
108.21189	0.2
110.09702	1.0
111.08081	25.1
112.08436	0.2
115.52173	0.2
119.08575	0.3
122.09649	0.5
140.10692	0.4
150.09119	0.2
160.11162	0.3
162.12726	0.3
168.10136	0.3
171.11623	0.2
180.13800	0.5
184.13292	0.7
188.14264	0.5
196.13170	0.4
206.15387	6.0
208.13295	1.8
216.13731	0.3
234.14879	40.5
235.15201	0.9
250.14384	0.3
262.17996	0.5
280.19028	0.8
290.17468	0.5
294.20621	2.0
301.09546	0.2
308.18539	13.9
309.18967	0.5
322.20114	43.3
323.20612	1.1
338.19693	0.7
340.21170	100.0
341.21564	3.0
355.19296	0.3
356.20703	2.2
420.20090	1.4
436.19562	4.4
757.22974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.1
55.05506	0.2
67.05497	0.3
67.91158	0.1
69.03432	1.3
69.07078	0.1
69.40315	0.4
71.04990	0.1
79.05496	0.5
80.05016	0.2
81.05767	0.1
81.07053	0.4
82.06586	0.3
83.01331	0.3
83.07358	0.5
86.06060	0.2
89.08790	0.1
91.05477	0.8
93.07031	0.7
94.06569	0.2
95.04984	0.4
96.08133	2.0
98.09708	0.2
98.23407	0.2
99.04444	0.3
100.11280	0.1
105.07011	0.6
107.04936	0.2
107.08599	0.5
109.06512	0.2
117.07021	0.2
118.52438	0.1
119.04990	0.2
119.08579	0.3
120.08121	0.3
121.06507	0.4
123.10512	0.1
126.09206	0.2
127.03915	0.4
128.10701	0.2
129.07005	0.2
131.08557	0.2
134.09634	0.3
135.06818	0.1
135.08023	0.1
136.11212	1.0
137.06004	0.2
138.12776	5.8
140.34834	0.1
141.05481	0.3
143.08551	0.1
145.06506	0.3
146.09605	0.2
147.08073	0.1
151.03879	0.1
152.10718	0.2
154.12234	0.2
155.03377	0.9
155.07057	0.4
157.10101	0.1
159.08087	0.3
162.09132	0.3
162.12799	0.3
164.10753	0.4
165.05508	0.5
165.09073	0.1
166.12225	0.2
167.07063	0.3
169.10071	0.2
173.06013	0.2
173.09647	0.1
175.07552	0.3
176.10808	0.2
176.14346	1.3
177.09125	0.1
177.75137	0.1
178.15739	0.1
179.07019	0.3
183.06519	0.5
183.07913	0.1
187.07457	0.1
187.11110	0.2
188.14313	0.1
189.09109	0.1
191.06999	0.2
195.06564	0.2
197.09689	0.2
201.09097	0.1
201.12602	0.1
202.15776	0.1
204.13800	0.7
204.17468	0.2
205.08678	0.3
205.14655	0.5
206.15318	0.5
207.06488	0.1
207.10092	0.2
215.10667	0.2
221.08096	0.3
225.09129	0.1
229.08467	0.1
229.12244	0.2
232.16942	0.2
233.08092	0.4
234.18599	0.4
239.10735	0.1
243.10129	0.1
246.93735	0.1
247.09618	0.2
249.11360	0.1
260.16409	0.3
261.11142	0.1
262.18051	0.3
263.09113	0.4
273.11221	0.9
275.12781	4.1
276.13165	0.1
285.11285	0.3
330.17032	0.1
341.17456	0.2
345.19241	0.2
360.21783	0.4
361.21954	0.1
370.20218	0.2
388.21164	100.0
389.21539	2.0
683.14612	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	775.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
55.05510	0.2
58.58411	0.1
67.05496	0.3
69.03423	1.6
69.07053	0.2
70.52551	0.2
71.04974	0.1
75.18383	0.1
77.03937	0.2
79.05482	0.7
80.05000	0.1
81.07043	0.6
82.06571	0.3
83.01350	0.5
83.07358	0.3
86.06055	0.3
91.05480	0.8
93.07056	0.6
94.06604	0.2
95.04977	0.5
96.08125	2.4
98.06074	0.2
98.09660	0.2
99.04443	0.4
100.11232	0.1
105.04514	0.1
105.07019	0.6
107.08606	0.7
109.06509	0.2
110.09674	0.1
117.06988	0.3
119.08587	0.4
120.08114	0.3
121.03432	0.1
121.06496	0.5
121.10167	0.2
122.09711	0.1
123.08068	0.2
126.09138	0.1
127.03902	0.7
128.06216	0.2
128.10744	0.2
129.07013	0.2
130.07748	0.1
131.08574	0.2
133.06517	0.2
134.09628	0.2
135.08026	0.1
136.07565	0.1
136.11209	1.1
137.05956	0.1
138.12772	7.1
140.07057	0.1
141.05464	0.2
141.07047	0.1
142.07742	0.2
145.06483	0.3
145.10088	0.2
146.09682	0.1
147.08061	0.3
148.08817	0.1
148.11273	0.2
149.09705	0.2
151.04016	0.1
151.07535	0.3
151.11208	0.1
152.10690	0.2
153.05414	0.1
154.12234	0.2
155.03406	1.1
155.07065	0.3
155.08559	0.1
159.08051	0.3
161.09660	0.2
162.09117	0.3
162.12813	0.7
163.07681	0.1
164.10635	0.2
165.05507	0.5
165.06778	0.1
165.09120	0.2
167.07053	0.3
169.10123	0.2
171.08002	0.2
173.06073	0.2
175.07584	0.3
176.14343	1.3
177.14998	0.2
178.15866	0.2
179.07045	0.3
183.06520	0.6
183.07921	0.1
187.07532	0.1
187.11208	0.3
188.14265	0.2
189.09068	0.2
190.12244	0.2
195.06543	0.4
197.09607	0.3
199.11324	0.2
201.09061	0.1
204.13824	1.0
205.08646	0.4
205.14613	0.4
206.15425	0.4
207.06474	0.2
207.10252	0.3
214.09921	0.2
215.10709	0.2
217.08772	0.1
221.08092	0.5
225.09183	0.3
232.16965	0.3
233.08156	0.4
234.18546	0.4
247.09750	0.3
257.11676	0.1
260.16507	0.2
261.11264	0.2
263.09152	0.4
273.11182	0.8
275.12772	4.3
285.11279	0.2
313.18024	0.1
316.96085	0.1
330.16879	0.2
341.17450	0.3
345.19376	0.2
358.20151	0.2
360.21671	0.5
370.20193	0.2
388.21155	100.0
389.21469	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	775.416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26392	0.1
55.01863	0.1
55.05493	0.2
59.80053	0.1
67.05504	0.2
68.05028	0.1
69.03434	1.4
69.35687	0.3
71.04984	0.3
77.03952	0.1
79.05480	0.5
80.05005	0.2
81.07058	0.4
82.06585	0.2
83.01349	0.3
83.07357	0.4
86.06054	0.2
91.05481	0.9
93.07045	0.6
94.06561	0.1
95.04956	0.3
95.25069	0.1
95.97049	0.1
96.08134	1.6
98.06049	0.2
98.09703	0.1
98.22726	0.2
99.04453	0.3
100.00782	0.1
100.11304	0.1
105.04546	0.1
105.07027	0.5
106.06557	0.3
107.04979	0.1
107.08592	0.4
108.08132	0.1
109.06503	0.3
113.05852	0.1
117.07014	0.4
119.08617	0.2
120.08116	0.2
121.06493	0.3
122.09673	0.2
123.06817	0.1
123.08058	0.2
124.11157	0.2
127.03920	0.4
128.10704	0.2
129.07004	0.2
131.08575	0.4
133.06467	0.1
134.09668	0.2
134.66054	0.1
135.08047	0.2
136.11229	1.0
138.12778	4.8
138.13852	0.2
139.07510	0.1
140.10812	0.1
141.05470	0.2
141.07011	0.1
143.08533	0.3
145.06497	0.2
146.09668	0.1
147.02585	0.1
147.08035	0.4
148.07550	0.2
148.11162	0.1
149.09552	0.1
151.03909	0.1
151.07527	0.3
153.05431	0.2
154.07838	0.1
154.12262	0.3
155.03398	0.8
155.07025	0.3
159.08051	0.3
162.09102	0.3
162.12796	0.4
163.07570	0.1
164.10745	0.4
164.14398	0.1
165.05518	0.4
167.07076	0.3
169.10114	0.2
171.08015	0.1
171.11763	0.1
173.06064	0.2
173.09659	0.1
175.07555	0.4
176.10822	0.1
176.14328	1.2
177.09094	0.1
178.16003	0.1
179.07079	0.2
179.08473	0.1
180.13864	0.1
181.48055	0.1
183.06551	0.6
184.08897	0.1
185.09691	0.2
186.10378	0.2
186.12746	0.1
187.07549	0.2
187.11205	0.3
188.14409	0.2
189.09010	0.2
190.12296	0.1
195.06505	0.3
197.09669	0.2
199.11075	0.1
201.12689	0.1
204.13795	0.7
204.69859	0.1
205.08629	0.3
205.14549	0.5
206.15437	0.5
207.06465	0.2
207.10165	0.2
213.09184	0.2
214.16045	0.1
215.10712	0.2
219.10242	0.1
221.08101	0.2
225.09181	0.2
229.08597	0.2
229.12242	0.1
232.17134	0.3
233.08110	0.3
234.18445	0.4
241.08606	0.1
243.10136	0.1
247.09674	0.7
249.11249	0.2
250.18045	0.1
253.08586	0.1
260.16525	0.2
262.18066	0.2
263.09134	0.3
273.11179	1.8
275.12772	4.2
285.11160	0.2
289.13232	0.1
330.16931	0.3
341.17435	0.3
345.19446	0.3
359.17181	0.1
360.21674	1.1
370.20181	0.4
373.18921	0.1
384.20053	0.1
388.21161	100.0
389.21512	3.2
389.25336	0.1
431.96097	0.1
695.94019	0.1
775.41437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4167
Annotation	Unguisin C
Peak:m/z	Relative Intensity
55.01834	0.4
55.05476	0.6
57.03395	0.6
57.07020	0.4
59.04967	0.4
65.03897	0.3
65.45107	0.2
67.05450	2.2
68.04974	0.5
69.03370	3.7
69.07014	1.0
70.06549	0.5
71.04920	0.8
79.05490	2.2
80.04952	0.8
81.03339	0.7
81.07062	2.4
82.06547	0.6
83.01283	1.1
83.04944	0.5
83.07306	1.0
83.08577	0.4
84.08114	0.4
85.02875	0.4
85.06466	0.3
86.06037	0.4
86.09677	0.4
91.05492	2.9
93.03294	0.3
93.07044	2.4
94.06496	0.9
94.07016	0.2
95.04988	1.4
95.08524	0.9
96.08134	4.4
97.02873	0.3
97.07414	0.2
98.05989	0.6
98.09661	0.5
98.22672	0.4
99.04388	1.0
105.04435	0.3
105.07040	2.8
106.06496	0.8
107.04890	0.7
107.08595	1.6
108.08066	0.8
109.02828	0.3
109.06448	0.8
109.10077	0.8
110.09632	0.5
111.08021	0.5
115.05417	0.3
117.06934	1.1
118.06520	0.4
119.04880	0.2
119.08609	1.2
120.08116	2.0
121.06435	0.9
121.08794	0.5
121.10133	0.7
122.09604	0.6
123.08038	0.6
124.11164	0.7
125.05925	0.4
126.12738	0.3
127.03840	1.1
128.10677	0.6
129.06932	0.8
131.08514	1.1
132.07964	0.3
133.06502	0.5
133.10054	1.0
134.09584	0.6
134.10472	0.3
134.76936	0.3
135.06728	0.4
135.07971	0.6
135.11665	0.5
136.10376	0.3
136.11211	2.8
137.05928	0.4
137.09532	0.4
138.12791	10.3
138.96806	0.3
139.07446	0.3
141.05440	0.5
141.06895	0.4
143.08470	0.7
145.06415	0.7
145.08841	0.3
145.10048	0.5
146.09592	0.5
147.06830	0.4
147.07974	0.9
147.11632	0.3
148.07556	1.4
148.08582	0.3
148.11072	0.5
149.08296	0.3
149.09520	0.3
149.11928	0.4
149.13025	0.3
150.09091	0.8
151.07549	0.6
151.11229	0.4
152.10638	0.7
153.05406	0.3
154.07750	0.4
154.12196	0.5
155.03398	1.9
155.06963	0.7
155.08299	0.3
157.10027	0.4
158.07269	0.3
159.07968	0.9
159.11603	0.7
160.08682	0.3
160.11111	0.5
161.08281	0.4
161.09537	0.5
162.09151	1.4
162.11650	0.3
162.12798	4.2
163.07481	0.3
164.10681	0.6
164.14328	0.9
165.05391	1.0
165.08987	0.3
166.12285	0.3
167.06953	1.0
169.10066	0.5
170.99352	0.3
171.08022	0.3
172.08914	0.3
172.11162	0.4
173.02930	0.3
173.05928	0.5
173.09523	0.6
174.12726	0.7
175.07497	1.0
176.10674	0.3
176.14366	2.6
177.09009	0.5
178.15900	0.4
179.06985	1.0
179.08504	0.2
180.13849	0.4
182.11732	0.5
183.06529	1.5
184.07277	0.5
185.09604	0.4
186.12694	0.8
187.07552	0.4
187.11180	0.4
187.13560	0.3
188.14261	0.7
190.06044	0.3
190.12254	1.2
191.06998	0.4
191.10732	0.4
192.97911	0.3
195.06433	0.4
197.09602	0.6
201.09079	0.4
204.13844	14.9
205.08578	0.6
205.14415	1.1
206.15324	0.9
207.06487	0.7
207.10149	0.5
208.13257	0.4
213.08936	0.5
214.09697	0.3
214.15981	0.6
215.10609	0.4
215.14146	0.3
216.17348	0.3
217.08589	0.5
218.11711	0.3
219.10123	0.3
221.08087	0.5
225.09157	0.6
227.10771	0.5
229.12076	0.3
232.16917	1.4
233.08063	0.7
234.18542	1.0
236.16417	0.4
242.15164	0.4
245.11642	0.3
247.09714	1.5
249.11150	0.5
253.08575	0.3
253.14305	0.6
255.15752	0.3
260.16458	2.6
261.11069	0.4
262.17877	0.8
263.09030	0.6
270.18329	0.3
273.11246	3.2
273.32721	0.3
274.11453	0.3
275.12796	7.5
276.13062	0.5
285.11264	0.5
287.18539	0.4
289.13309	0.4
301.16394	0.3
314.17413	1.7
315.03879	0.4
316.19171	0.5
330.17249	0.6
341.17575	0.5
345.19656	0.4
358.20059	0.4
360.21817	1.9
370.20117	1.2
387.19974	0.5
388.21191	100.0
389.21518	4.9
477.08701	0.6
520.33466	0.5
523.35022	0.3
546.35413	0.4
561.36432	0.3
578.37830	0.6
715.32074	0.5
743.38507	0.7
772.61505	0.3
775.41620	73.0
776.41876	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	775.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01821	0.4
55.05483	0.5
57.03409	0.5
58.76802	0.2
60.27761	0.3
61.01594	0.2
61.02897	0.3
62.99185	0.2
65.44161	0.2
67.05510	2.1
68.04990	0.4
69.03429	3.1
69.07011	1.0
70.06564	0.3
70.12741	0.6
71.04933	0.7
79.05505	2.3
80.04996	0.5
81.03369	0.6
81.07059	2.0
82.06543	0.5
83.01275	0.7
83.04932	0.5
83.07296	0.9
84.08085	0.3
85.02826	0.3
86.06027	0.5
86.09666	0.5
91.05483	3.1
93.05759	0.3
93.07043	2.8
94.06574	1.1
95.04910	1.0
95.08620	1.5
96.08131	4.6
97.02868	0.3
98.05968	0.3
98.09647	0.5
99.04385	0.9
100.11234	0.5
105.07042	2.0
106.06490	0.8
107.04916	0.6
107.07310	0.3
107.08527	1.1
108.08109	0.6
109.06448	0.9
109.10088	0.5
110.09645	0.5
111.04400	0.3
111.08045	0.3
115.05381	0.3
116.06233	0.3
117.06969	0.9
118.06504	0.5
119.04887	0.5
119.08575	1.5
120.08108	2.4
121.06445	1.0
121.10062	0.4
122.09629	0.4
123.07990	0.9
124.11197	0.6
125.05874	0.3
126.09060	0.4
126.12761	0.4
127.03852	1.0
128.06209	0.3
128.10680	0.4
129.06924	0.9
130.06477	0.3
131.08582	1.6
132.08023	0.4
133.06474	0.6
133.10057	0.7
134.09654	1.3
134.10463	0.2
135.04309	0.3
135.06789	0.3
135.08009	0.7
135.11667	0.3
136.07460	0.3
136.10316	0.3
136.11211	2.7
137.05960	0.4
138.12782	11.2
139.07458	0.5
139.13141	0.3
141.05466	0.5
142.07709	0.4
143.08472	0.5
144.08086	0.3
145.06418	0.8
145.08887	0.3
145.10062	0.9
146.09595	0.7
147.04434	0.2
147.06792	0.3
147.07974	0.9
147.11565	0.3
148.07623	1.1
148.08643	0.3
148.11147	0.6
149.05922	0.4
149.08334	0.3
149.09492	0.4
150.09094	0.4
151.03868	0.4
151.07399	0.5
152.10631	0.9
153.05424	0.7
153.06863	0.2
154.12257	0.7
155.03413	1.8
155.07011	0.8
155.08446	0.6
157.06367	0.2
157.10051	0.5
159.07924	0.5
159.11612	0.5
160.08749	0.3
160.11116	0.4
161.09561	0.5
161.13287	0.4
162.09149	1.5
162.12778	4.6
163.11151	0.5
164.10631	0.9
164.14339	0.6
165.05446	1.1
165.09061	0.4
165.38425	0.3
167.06990	1.0
167.08292	0.3
169.10130	0.5
172.08781	0.3
172.11208	0.5
173.05981	0.6
173.09569	0.6
174.12801	0.4
175.07494	0.8
176.10681	0.6
176.14343	3.0
179.06960	0.7
180.13776	0.5
181.08533	0.3
182.11681	0.5
183.06573	1.3
183.07898	0.3
184.07347	0.4
184.13200	0.4
185.09636	0.5
186.12820	0.5
187.07465	0.4
187.11168	0.5
188.14273	0.9
189.09013	0.4
190.12228	1.4
191.06987	0.4
191.10641	0.3
195.06566	0.6
197.09587	0.5
201.09070	0.6
204.13837	16.2
205.08537	0.6
205.14513	1.3
206.15381	1.4
207.06422	0.7
207.10138	0.4
208.13301	0.5
214.15948	0.5
215.10611	0.7
216.17468	0.3
217.08461	0.3
219.10106	0.4
221.07999	0.6
225.09149	0.4
229.08548	0.4
232.16879	1.5
233.07988	0.9
234.18477	0.8
243.10052	0.3
245.11795	0.4
247.09648	1.1
249.11287	0.7
253.08495	0.3
260.16516	2.8
262.17999	0.5
263.09125	0.8
273.11215	4.2
275.12772	9.0
285.11279	0.8
298.02612	0.3
301.16284	0.4
314.17471	1.2
316.19177	0.4
330.16968	0.3
335.25729	0.6
341.17395	0.8
345.19641	0.3
352.14346	0.2
360.21689	1.9
370.20303	1.2
386.19565	0.4
387.19778	0.4
388.21179	100.0
389.21552	4.8
458.56818	0.3
462.78159	0.3
466.21851	0.3
561.37744	0.6
743.39093	0.6
757.39349	0.3
775.41595	62.7
776.41919	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	775.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.2
57.03378	1.0
57.03643	0.4
61.02874	2.1
64.64377	0.3
67.05449	3.5
69.03369	3.2
69.07072	1.5
71.04948	0.6
73.02916	1.6
79.05498	4.1
80.04965	0.8
81.03426	1.7
81.07056	3.9
82.06528	0.4
83.01298	0.3
83.04913	0.9
83.07308	1.0
83.08559	0.4
85.02911	2.1
85.06488	0.4
86.06016	0.5
86.09656	0.4
91.03905	1.3
91.05485	4.3
93.05716	0.4
93.07044	3.7
94.06505	0.9
95.04968	1.9
95.08596	1.9
96.08140	2.7
97.10101	0.4
98.06001	0.3
98.09656	0.4
98.22681	0.7
99.04380	1.2
101.02293	0.9
105.07034	2.8
106.06528	0.7
107.04901	0.9
107.08624	1.8
108.08080	0.4
109.06448	0.7
109.10123	0.6
117.06959	1.0
118.06498	0.4
119.04896	0.4
119.08586	2.1
120.08112	1.5
121.06427	0.7
121.10085	0.6
122.09638	0.6
123.07999	0.6
124.11181	0.7
125.05920	0.5
125.09560	0.4
126.12782	0.3
126.56814	0.3
127.03928	1.6
129.06950	0.9
131.08495	0.8
133.06497	0.5
133.10069	0.9
134.09613	0.7
135.08000	0.6
135.11630	0.6
136.11241	1.6
138.12790	6.7
143.08542	0.6
145.06432	0.7
145.10095	1.0
146.09572	0.5
147.06746	0.6
147.07974	0.7
147.11620	1.3
148.07483	0.8
149.05896	0.4
149.09489	0.4
149.10637	0.3
152.10680	0.4
154.12160	0.5
155.03317	1.0
155.07047	0.7
157.10152	0.3
159.08000	0.5
159.11641	0.4
161.09547	0.4
161.11984	0.3
161.13220	0.9
162.09149	1.4
162.12782	3.6
163.11150	0.4
164.10649	0.4
164.14331	0.5
165.05411	0.9
165.09071	0.5
167.07002	0.7
171.11687	0.8
175.07494	0.7
176.14339	2.0
180.13795	0.5
183.06471	0.9
184.07260	1.0
186.12669	0.5
187.07600	0.3
187.11119	0.6
188.14281	0.5
189.12750	0.5
190.12242	0.8
191.06995	0.3
197.09622	0.4
199.11165	0.3
203.05331	0.3
204.13844	11.6
205.08665	0.5
205.14468	0.9
206.15306	0.7
207.06448	0.6
207.10118	0.4
210.08784	0.3
231.10199	0.4
232.16879	1.1
233.07957	0.4
234.18449	0.6
243.08359	1.6
247.09613	0.8
247.12970	0.7
260.16479	1.9
263.08942	0.5
273.11206	2.1
275.12784	4.7
303.15768	0.3
314.17603	0.6
333.20410	1.0
338.42725	0.3
341.17422	0.5
345.19519	0.5
360.21710	0.9
370.20078	0.7
373.18896	0.3
388.21198	62.7
389.21613	3.2
439.19333	0.4
465.21014	6.8
466.21497	0.4
475.38181	0.4
523.35242	0.4
551.28375	3.1
560.36664	0.4
670.63751	0.3
775.42108	100.0
776.42401	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	776.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.4
58.01747	0.4
65.03952	2.2
67.84669	0.4
70.72468	0.8
77.03911	0.8
78.04700	0.5
78.63163	0.4
79.05479	1.3
87.04471	2.6
91.04936	0.7
91.05476	8.7
93.03391	3.1
93.07037	3.9
95.04956	2.1
103.05466	9.1
105.07026	6.6
106.03109	0.5
106.04164	1.2
107.04942	1.5
108.05709	0.7
109.06530	0.9
109.93056	0.5
110.03658	2.3
111.04458	3.5
115.05466	2.1
117.06951	0.5
118.04160	2.3
119.04311	0.4
119.04958	5.1
121.02882	0.8
121.06499	9.4
123.90318	0.5
124.05217	1.7
125.06010	3.8
129.03271	0.5
130.04256	0.5
131.04935	6.7
132.05736	1.0
133.06487	6.9
134.03621	2.0
135.04448	0.6
135.07997	0.5
136.05217	3.1
137.05933	1.6
138.06763	6.3
139.07532	5.5
143.06052	0.7
144.05797	0.5
145.02838	1.6
145.06436	0.9
146.03621	1.0
147.04385	2.8
147.07983	0.5
148.05174	3.3
149.05978	18.1
151.03773	0.6
151.07552	14.2
152.04689	0.7
153.05469	27.7
154.06186	1.6
159.08081	0.9
159.23337	0.5
161.05974	13.0
162.06769	0.8
163.03886	0.7
163.07538	6.8
164.04674	1.1
165.05499	0.7
165.09152	0.6
166.06213	1.1
167.07001	2.5
173.05957	1.1
175.07526	1.9
176.04680	1.5
176.08321	6.8
177.05482	7.4
177.09103	8.8
179.07037	6.5
181.04970	10.7
181.08569	9.4
182.05701	0.5
189.09100	4.3
191.07030	30.2
192.07829	0.8
193.08600	6.3
194.09328	0.7
196.07317	4.9
197.08104	1.5
207.06522	54.5
208.06810	0.8
209.08086	34.5
210.08539	1.0
217.08556	2.5
219.10164	1.3
225.07564	57.6
226.07901	1.4
235.09589	1.1
237.07635	0.7
243.93173	0.5
249.07399	0.6
251.09142	28.6
252.09599	1.2
267.08627	100.0
268.09088	2.4
269.38022	0.5
277.10751	3.6
291.10138	0.6
332.91528	0.5
337.12802	3.9
338.15131	0.6
351.12326	1.2
353.13733	2.4
397.13013	0.7
399.14410	1.0
412.15500	0.6
439.17767	0.7
441.15659	0.6
459.16302	0.7
501.17795	0.6
580.47400	0.5
627.95123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.5
55.05511	42.5
57.03174	0.7
57.03436	16.8
57.07070	3.0
59.05005	3.5
61.02917	3.0
65.03946	3.3
66.33973	0.6
67.05504	100.0
68.05834	0.9
69.03438	5.8
69.07069	18.4
69.73236	2.1
69.73575	0.7
70.03767	0.7
70.98815	0.7
71.01353	0.8
71.04986	3.5
73.02912	2.1
77.03941	0.8
79.05493	44.2
80.05833	0.7
81.03423	6.0
81.07056	54.6
83.01346	1.2
83.04979	6.1
83.08620	13.8
85.02905	15.4
85.06541	2.9
87.04466	6.3
91.03957	1.8
91.05482	23.9
91.06054	1.4
93.07043	42.2
93.88330	0.7
95.04957	6.8
95.08604	40.2
96.08146	2.3
96.15193	0.6
97.02896	4.2
97.06532	4.1
97.10168	20.5
99.04425	0.7
99.08084	1.6
103.03921	1.5
103.60580	0.7
105.04533	1.9
105.07026	14.7
106.06570	1.0
107.04987	1.4
107.07452	0.8
107.08591	28.0
109.06536	2.8
109.10155	55.5
110.10519	0.9
111.04474	1.0
111.08096	4.4
111.11736	1.3
113.09716	0.7
117.07005	6.2
118.06594	0.7
119.08581	15.6
120.08119	1.7
121.06512	1.2
121.10143	19.5
121.10970	1.1
123.08078	2.2
123.11718	4.7
125.06040	1.3
125.09628	19.3
125.10495	1.1
127.03909	1.1
129.07037	2.0
131.08575	10.0
133.10132	9.5
135.08063	1.6
135.11687	11.1
136.11247	1.3
137.09584	4.0
137.13257	1.7
138.12759	6.9
139.11206	1.9
139.13164	1.2
143.08589	2.4
143.10701	3.5
145.06464	1.0
145.10118	10.4
147.08041	1.5
147.11702	5.9
149.09619	1.7
149.13266	5.0
151.11205	1.3
153.12830	0.8
155.03368	1.4
155.08620	1.2
155.10683	4.7
157.10156	2.0
159.08121	0.9
159.11705	5.5
161.09618	0.9
161.13280	3.6
162.12823	1.9
163.10017	1.0
163.11172	5.0
163.13350	0.9
163.14833	2.9
165.12740	1.0
167.07080	0.8
169.10161	1.2
171.11705	1.5
173.09592	1.5
173.10202	1.1
173.11789	11.8
173.13326	3.9
175.11230	1.6
175.14832	1.3
176.14398	2.9
177.12775	1.3
177.16451	1.3
181.12291	2.0
183.11745	1.4
184.07278	1.7
185.13316	2.1
187.14839	1.4
189.11290	1.5
191.10815	1.1
193.12282	2.4
197.13361	1.1
199.13298	10.2
199.14905	0.9
204.13812	7.8
205.14191	3.5
209.11668	3.1
211.13275	1.9
217.14325	1.6
227.12804	5.8
229.14348	47.3
230.14816	1.5
241.19501	1.0
243.21120	4.0
245.13968	2.9
259.20621	1.9
260.16544	1.3
261.22125	13.5
267.15918	4.3
273.11310	1.1
274.11493	0.8
275.12900	2.5
276.13208	1.5
277.21671	1.1
283.15479	1.8
289.21802	1.7
299.23822	1.1
300.15369	1.0
301.16443	16.8
313.21896	0.8
317.24979	2.6
319.17621	1.0
327.23166	1.7
333.24289	1.0
335.25800	69.6
336.26196	4.1
351.25330	1.0
363.25439	2.7
388.21176	27.9
389.21518	33.4
390.22058	1.1
408.56348	0.8
459.34885	1.3
469.33337	0.8
477.35742	9.6
489.35788	15.5
490.36304	1.2
525.35828	1.3
543.36890	4.1
561.37848	9.4
579.39050	1.8
696.64996	0.7
776.41949	41.1
777.42310	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	776.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05289	1.0
55.05515	10.1
56.79520	0.7
57.03440	11.7
57.07076	1.9
65.03934	1.7
67.05506	35.3
67.99635	0.8
69.03426	1.7
69.06710	1.2
69.07069	15.8
69.38577	3.2
69.38987	1.5
71.04984	2.4
71.08629	1.8
79.05491	16.1
81.03419	54.2
81.07056	40.1
83.04974	3.6
83.08620	20.3
85.06547	1.5
87.70728	0.8
91.05482	15.3
93.07050	14.8
95.04350	1.1
95.04967	18.9
95.08604	27.8
97.02890	1.9
97.06518	3.0
97.10189	7.4
99.08104	0.9
99.09748	0.7
99.72938	0.7
105.07038	12.6
107.04945	4.4
107.08599	10.3
109.06515	2.8
109.10161	13.6
111.04462	1.0
111.08066	6.0
111.11706	1.0
113.09636	1.2
115.05466	1.5
117.07021	1.7
119.08582	11.1
121.06494	2.3
121.10146	9.8
123.08080	2.2
123.11712	5.4
125.09595	2.3
129.07001	7.3
131.08565	6.9
133.06490	2.1
133.10155	7.3
135.11707	3.2
137.09604	1.5
137.13225	1.6
142.07762	1.8
143.08562	1.0
145.10095	2.0
146.86914	0.8
147.08040	1.9
147.11699	7.8
149.09619	2.6
149.13223	2.0
151.14839	1.1
157.10161	6.6
159.11624	1.1
161.13292	3.1
163.11198	1.4
163.14760	1.9
165.12758	1.8
171.11746	0.9
173.84503	1.0
175.11197	7.2
175.14822	2.1
185.13332	1.0
189.11250	1.6
189.16429	1.0
193.12244	19.4
204.13899	2.9
211.13322	1.3
227.12830	5.1
235.13290	1.7
241.17999	0.9
245.22708	2.7
249.14734	2.0
257.75876	0.8
263.23676	4.1
267.15909	100.0
268.16223	1.8
275.19983	1.2
289.21600	1.2
301.14392	1.6
303.26666	1.9
309.17044	1.5
319.26288	1.0
337.27359	81.5
338.27615	2.4
370.40170	0.7
379.32190	0.8
388.21057	7.4
389.21487	8.1
403.24673	0.8
417.26163	0.9
421.25662	2.4
435.27170	1.6
437.34128	2.5
455.35013	4.6
473.36133	2.9
511.37589	1.6
529.38885	78.1
530.38898	4.4
547.39923	57.9
548.39935	2.3
561.41211	2.4
571.39679	4.3
579.42371	3.2
625.40759	1.3
776.41882	13.6
777.40576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51418	0.4
78.67117	0.3
95.08673	0.5
109.08641	0.4
110.90775	0.4
138.12860	0.5
180.12752	0.4
181.05023	0.6
267.09091	2.5
285.10132	1.7
367.29736	0.4
388.21167	1.9
389.21445	2.5
390.22168	2.1
427.93738	0.5
485.17026	2.2
517.20447	0.8
677.27460	1.0
777.36615	100.0
778.37042	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	777.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05521	1.5
57.03442	1.4
57.06156	0.3
61.02936	3.1
65.01850	0.4
67.05526	2.3
69.03435	3.2
69.07072	0.7
70.06595	0.5
71.05004	0.5
73.02936	2.3
76.09641	0.4
79.05504	3.0
81.03418	2.5
81.07063	2.8
83.01342	0.4
83.05002	1.1
83.08617	0.8
85.02913	3.4
91.03973	1.5
91.05482	4.0
93.07034	2.8
95.04989	1.4
95.08625	1.3
96.08167	0.4
97.02911	2.9
97.06563	1.2
97.10167	0.6
99.04477	0.7
101.02399	0.8
103.02458	0.3
105.07022	2.9
107.08610	1.5
109.02951	0.4
109.06555	0.5
109.10168	0.8
111.08109	0.8
117.07044	1.0
119.08562	2.0
121.06532	0.6
121.10188	0.9
123.08080	0.7
125.09686	0.5
127.03951	0.8
129.07030	1.2
131.08609	2.2
133.10179	1.1
135.08174	0.4
136.11232	0.5
138.12814	1.3
143.08609	1.0
145.10136	0.8
147.11720	0.6
149.09642	0.5
151.68466	0.4
157.10201	0.7
159.11757	0.4
161.09615	0.5
163.11273	0.4
171.11728	0.5
175.11276	0.6
183.06593	0.4
185.04262	0.6
193.12323	1.2
203.05382	0.3
204.13872	2.0
205.14120	0.9
243.08398	2.2
247.09705	0.5
251.12677	1.0
273.18564	0.4
275.12848	0.5
276.13300	0.4
331.18851	4.2
387.21390	0.4
388.21176	5.4
388.25925	0.5
389.21558	7.2
389.26678	0.3
390.21976	5.6
469.20480	6.6
549.26733	4.1
566.37958	0.4
568.45038	0.4
747.56830	0.4
777.40479	100.0
778.40692	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	777.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05511	1.8
56.25116	0.3
56.96564	0.4
57.03434	1.6
59.05003	0.4
61.02928	3.9
63.92345	0.3
64.03157	0.3
67.05506	4.1
69.03426	3.8
69.07064	1.7
69.39854	0.8
69.40236	0.7
71.04987	0.9
73.02924	2.4
79.05498	4.0
81.03426	2.8
81.07066	4.3
83.05002	1.1
83.08624	1.3
85.02905	5.0
86.09753	0.5
91.03961	2.3
91.05478	2.7
93.07045	3.1
95.04970	1.6
95.08628	1.7
96.08157	0.6
97.02895	3.3
97.06564	0.8
97.67485	0.4
98.23471	0.6
98.97591	0.7
99.04462	0.7
99.97928	0.4
101.02410	1.2
103.03925	0.4
105.04500	0.4
105.07039	2.0
107.04974	0.6
107.08587	1.9
109.02920	0.7
109.06551	1.3
109.10150	0.7
111.04485	0.4
111.08125	0.6
117.07022	0.9
119.08611	1.5
120.08109	0.4
121.10144	1.8
123.08109	0.6
127.03938	1.4
131.08591	1.1
133.10141	0.7
135.11655	1.9
138.12831	0.9
145.10173	1.2
147.08064	0.5
147.11717	0.7
149.01122	0.5
151.11147	0.5
162.12836	0.5
163.11250	1.5
184.07303	1.8
185.04213	0.7
191.10977	0.4
193.12306	0.5
203.05333	0.5
204.12267	0.4
204.13794	2.0
205.14348	1.7
209.11691	0.5
243.08362	2.7
249.11113	0.5
267.15973	0.4
268.23175	0.4
273.11279	0.4
275.12793	0.5
283.15479	0.6
321.05017	0.8
333.20404	1.1
382.01035	0.4
388.21173	6.4
389.21524	7.8
390.22037	6.0
424.82224	0.4
439.19315	1.0
467.18860	6.8
469.20566	1.4
522.52020	0.4
544.37921	0.4
551.28375	3.3
704.62738	0.5
717.32788	0.7
759.39679	0.8
776.42743	0.6
777.40472	100.0
778.40668	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	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05508	1.6
57.03440	1.7
58.90501	0.2
59.04983	0.3
61.02925	3.6
65.03938	0.2
67.05504	2.8
69.03438	2.6
69.07066	2.1
71.01360	0.3
71.04993	0.5
72.47855	0.2
73.02919	3.6
79.05497	3.3
81.03411	2.9
81.07062	3.0
83.01352	0.3
83.04993	0.9
83.08630	0.8
84.44482	0.2
85.02909	3.3
85.06536	0.3
87.04470	0.5
91.03963	2.2
91.05473	2.5
93.07026	2.5
95.04960	1.4
95.08598	1.5
97.02901	4.0
97.06549	0.3
97.10177	0.8
99.04464	0.9
101.02385	1.4
103.03967	0.3
105.07041	1.8
107.04958	0.7
107.08591	1.9
109.02886	0.5
109.06524	0.5
109.10155	0.6
111.04501	0.3
111.08091	0.5
115.03956	0.3
117.07040	0.9
119.08578	1.4
121.06516	0.5
121.10166	0.8
123.08045	0.5
125.09651	0.6
127.03938	1.2
129.07007	0.6
130.07747	0.2
131.08601	0.7
133.10150	1.1
135.08051	0.5
135.11696	0.6
136.99171	0.2
137.09610	0.3
138.12720	0.3
145.05106	0.2
145.10161	0.7
147.11707	0.8
149.09625	0.3
157.10205	0.3
163.11201	1.2
173.09599	0.3
175.07570	0.2
175.11206	0.4
179.98157	0.2
180.13660	0.2
184.07426	0.4
185.04298	0.8
193.12238	0.4
203.05299	0.4
204.13861	0.3
223.13359	0.5
243.08427	2.9
251.12569	0.6
251.96544	0.3
270.39682	0.2
283.15485	0.5
291.19788	0.4
331.18915	0.7
333.20477	0.9
388.21045	1.2
389.21539	1.5
390.22122	1.2
407.87451	0.3
415.03329	0.3
439.19293	0.3
453.21170	0.4
467.18866	4.5
469.20486	3.9
549.26886	1.6
551.28235	2.7
552.29120	0.2
615.35358	0.2
675.88623	0.2
679.33228	0.4
777.40283	100.0
778.40558	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	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
55.05509	1.7
57.03444	1.5
61.02927	4.4
62.80591	0.3
67.05499	3.3
69.03430	3.6
69.07064	1.6
69.70529	1.1
71.04993	0.8
73.02915	3.1
73.33344	0.3
79.05492	3.3
81.03420	3.9
81.07056	3.5
83.04999	1.0
83.07407	0.3
83.08620	1.2
85.02906	4.8
91.03953	2.2
91.05476	4.7
91.05985	0.4
93.07039	2.6
95.04972	1.9
95.08627	1.6
97.02901	4.2
97.06551	0.5
97.10184	0.5
99.04464	0.7
101.02399	1.3
105.07042	2.9
106.07351	0.4
107.04970	1.4
107.08598	1.6
108.08985	0.4
109.02893	0.6
109.06509	0.9
109.10173	1.2
111.08072	0.7
115.62746	0.3
117.07024	0.8
117.21161	0.3
118.23327	0.3
119.08588	1.6
121.02911	0.3
121.06503	0.5
121.10165	1.2
123.08114	0.6
127.03933	1.3
129.07045	1.1
131.08612	1.0
133.06522	0.4
133.10136	1.8
135.11670	0.5
137.09738	0.4
138.12820	1.1
139.13171	0.4
143.08562	0.6
145.10152	0.6
147.11726	1.3
149.09683	0.3
149.68010	0.3
151.07492	0.3
151.11205	0.6
157.10152	0.9
158.99748	0.4
162.12819	0.4
163.07541	0.3
175.11241	0.7
184.07320	0.7
185.04274	0.5
193.12181	1.8
201.03590	0.4
203.05367	0.7
204.13904	1.3
205.14326	0.5
211.13303	0.5
213.76062	0.4
243.08408	3.1
251.12630	1.3
285.17029	0.4
291.19775	0.5
301.09137	0.3
307.15112	0.4
313.17746	0.7
315.10464	0.4
315.36087	0.3
331.18796	1.9
349.19971	0.4
388.21072	3.5
389.16949	0.3
389.21484	5.2
390.21924	4.7
451.19711	0.9
469.20407	8.0
531.25635	1.2
541.22711	0.7
549.26770	3.4
679.32666	1.2
717.32861	0.4
759.39081	4.7
777.40338	100.0
778.40619	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	777.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
55.05288	0.3
55.05507	1.8
57.03436	2.7
61.02922	6.0
65.03951	0.5
67.05508	5.8
69.03420	3.5
69.07085	1.6
70.59290	0.7
71.01362	0.9
71.05007	1.1
73.02927	3.8
79.05488	4.5
80.05868	0.4
81.03400	3.2
81.07050	5.5
83.05020	0.5
83.08636	1.1
84.98389	0.3
85.02902	6.5
87.04514	0.6
91.03956	3.0
91.05471	2.9
93.07059	4.0
93.07619	0.5
95.04984	1.0
95.08598	4.0
96.05379	0.4
97.02892	5.0
97.06558	0.5
97.10188	0.6
99.04484	1.0
101.02383	2.4
103.03956	0.7
105.07052	1.3
107.04956	0.5
107.08591	2.4
109.02908	1.3
109.06548	0.4
109.10162	2.5
110.85910	0.3
111.04443	0.9
115.03941	0.8
117.07041	0.8
119.08614	1.6
121.06536	0.5
121.10126	2.4
123.08154	0.4
125.09736	0.4
126.42262	0.3
127.03918	1.1
129.05522	0.3
131.08566	0.8
133.10178	0.7
135.11734	1.3
136.16788	0.3
137.09750	0.3
138.12833	0.4
145.10196	1.3
147.11771	0.4
149.13277	0.8
159.11684	0.6
161.13341	0.5
161.70345	0.3
163.11250	1.1
166.69461	0.3
184.07454	0.4
185.04181	0.7
189.82114	0.3
203.05421	0.6
204.13914	1.0
205.14258	0.5
215.44843	0.4
243.08401	1.9
267.16125	0.6
281.13596	7.5
335.25967	1.0
337.16492	0.7
337.27472	0.6
388.21371	1.7
389.21445	2.7
390.21902	2.3
432.91562	0.4
499.21570	4.3
519.29297	6.9
615.39172	0.5
777.43829	100.0
778.44177	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	777.44
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05512	1.1
57.03448	1.6
61.02927	3.7
65.03949	0.5
67.05503	4.2
69.03444	3.0
69.07081	1.2
69.44013	1.6
70.22802	0.4
73.02913	3.7
79.05483	3.1
81.03428	2.6
81.07055	3.9
83.04987	0.7
83.08638	1.0
85.02906	5.5
85.06572	0.5
87.04498	0.4
91.03947	2.7
91.05495	2.2
93.07047	3.5
95.04990	1.0
95.08618	3.4
97.02909	4.5
97.06551	0.5
98.22704	0.6
99.04471	1.0
99.95904	0.4
101.02359	1.8
105.04532	0.4
105.07063	1.1
107.04954	0.7
107.08598	2.2
109.02901	1.1
109.06517	0.7
109.10169	1.1
111.04491	1.2
117.07086	1.0
119.08613	1.3
121.06519	0.4
121.10173	1.4
125.05994	0.5
127.03912	1.8
131.08601	1.1
133.10179	0.6
135.08118	0.4
135.11673	1.7
145.10103	1.8
153.12796	0.6
163.11160	2.6
173.13127	0.4
184.07452	0.4
185.04298	0.6
204.13924	0.5
204.89073	0.3
209.11752	0.8
223.13388	0.7
241.14348	0.5
243.08504	2.4
262.89145	0.3
281.13538	3.8
302.63043	0.3
335.25946	0.8
337.12759	0.4
337.16327	1.5
356.69388	0.4
376.38330	0.4
388.21201	1.9
389.21722	1.5
390.22031	1.2
420.22263	0.3
438.34070	0.4
467.19220	0.7
482.88132	0.4
499.21451	8.2
500.21982	0.5
519.29266	4.8
614.94861	0.4
745.42023	0.5
777.43878	100.0
778.44196	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	778.531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.2
57.03188	0.9
57.03438	11.3
57.07077	6.9
61.02903	0.6
62.94493	0.6
67.05154	1.0
67.05504	15.6
69.03421	1.3
69.06717	0.9
69.07069	17.3
69.13998	4.3
71.04974	1.9
71.08643	3.8
79.05493	8.5
81.03417	53.0
81.07056	20.1
83.04964	2.0
83.08119	1.2
83.08619	24.5
83.48470	0.6
85.06522	0.9
85.10170	1.6
86.09689	1.1
91.05480	7.1
93.07041	9.1
95.04967	13.7
95.08025	1.0
95.08606	17.1
97.02863	1.9
97.06515	2.3
97.10171	10.4
101.06035	0.7
105.07030	6.8
105.79237	0.6
107.04951	2.8
107.05595	0.6
107.08593	5.9
109.06495	2.1
109.10160	8.3
111.08073	6.4
111.11703	3.2
115.05539	0.6
117.07012	1.3
119.08578	7.6
121.06503	2.2
121.10145	9.2
123.08016	0.8
123.11687	2.7
125.09604	1.6
129.06984	4.8
131.08554	4.4
133.06490	2.0
133.10110	3.4
135.11690	6.0
137.09622	1.1
142.07809	1.3
145.10106	1.5
147.08037	1.8
147.11710	4.8
149.09596	2.7
149.13278	1.6
157.10153	6.9
163.14864	0.9
165.12741	0.9
165.16405	0.8
175.11148	6.5
184.07338	4.7
193.12242	21.0
211.13307	2.1
235.13280	1.0
247.24191	1.8
249.14903	1.4
265.25278	2.4
267.15915	100.0
268.16229	2.9
301.14288	0.7
309.17020	1.3
338.16251	0.6
339.28934	88.2
340.29202	3.3
457.36646	2.5
514.35083	0.6
531.40460	73.5
532.40613	4.2
549.41479	12.8
573.41364	3.4
627.42706	0.9
639.42560	1.1
657.43103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
57.11118	0.3
59.19730	0.3
61.02908	1.0
67.05510	1.4
68.19837	0.3
69.03427	1.0
69.07080	0.7
73.02922	1.1
79.05482	1.0
81.03420	1.3
81.07056	1.3
85.02917	1.2
88.27231	0.3
91.03992	0.6
91.05489	1.0
93.07048	1.3
95.04961	0.6
95.08652	0.5
97.02903	1.1
97.06546	0.5
99.04526	0.3
105.07056	0.8
107.08612	0.9
113.78586	0.3
119.08614	0.8
121.10166	0.8
127.03930	0.4
131.08586	0.5
133.10147	0.4
135.11729	0.7
145.10153	0.4
163.11121	0.5
184.07439	0.7
202.65369	0.3
243.08481	0.9
249.11162	0.8
390.22385	0.4
467.19211	2.0
469.20175	0.7
485.17874	0.7
535.29059	0.8
551.26947	0.5
553.29846	0.7
761.40497	0.8
779.40308	100.0
780.40363	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	779.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05490	0.8
62.03115	0.4
67.05468	2.0
69.03418	1.6
70.06593	0.9
71.25143	0.5
71.44657	0.4
79.05475	0.7
80.05000	1.3
81.07043	1.4
82.06557	1.5
83.07333	0.6
84.08133	0.6
85.06511	0.6
90.82092	0.5
91.05450	1.8
93.07014	1.6
93.68799	0.5
94.06567	5.9
95.04961	3.7
95.08626	2.6
96.08123	3.3
98.06051	0.8
100.07565	0.9
105.07009	1.6
106.06561	0.6
107.08539	1.2
108.08083	1.3
109.06520	0.7
110.09652	0.8
117.07012	0.8
119.08553	1.6
120.08073	1.5
121.10144	0.5
122.09667	5.1
124.07549	1.1
124.11268	2.4
125.05952	0.8
127.07537	0.7
128.07048	2.1
128.10622	0.5
129.06985	0.8
131.08540	1.8
132.08076	2.5
133.08948	0.4
133.10075	1.9
134.09673	2.4
136.07547	2.6
136.11203	0.8
138.09120	0.9
138.12764	3.1
142.08638	1.3
143.08553	0.8
145.10127	0.9
146.09599	1.4
147.10522	0.7
147.11649	1.9
148.11194	4.3
150.09148	5.7
150.12762	0.7
153.01682	0.4
157.10097	0.7
159.11626	0.7
161.09505	0.4
161.13158	0.6
162.12708	0.8
164.07077	0.7
164.10678	0.8
164.14365	3.5
172.11249	0.8
174.12759	2.2
175.14799	0.7
176.14299	1.6
182.08092	0.8
182.11717	1.1
190.12250	2.1
190.15869	2.3
192.13847	13.9
199.14885	0.5
204.13849	0.9
206.10030	0.4
208.13379	0.7
210.11230	1.8
213.16235	0.5
216.17511	0.6
222.11301	3.1
232.16968	14.4
233.17410	0.5
236.12839	8.2
250.18042	7.1
271.28528	0.5
278.17508	84.6
279.17905	3.3
290.17365	1.4
291.12228	1.6
302.21130	3.0
330.20584	3.0
348.18073	0.5
348.21448	2.4
358.19824	0.5
376.21039	100.0
376.24918	89.4
377.20993	3.5
377.25687	3.4
404.20679	66.1
405.21024	2.1
405.25980	0.5
779.32935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
55.05514	1.4
55.11374	0.3
57.03437	1.6
58.13307	0.4
61.02929	4.0
63.95878	0.3
65.58752	0.3
67.05504	3.6
69.03439	3.7
69.07077	1.4
69.49659	1.1
71.05013	0.5
73.02919	3.2
77.11131	0.3
77.90924	0.3
78.65120	0.3
79.05492	3.0
81.03419	4.7
81.07058	4.1
83.04989	1.2
83.08634	1.7
85.02917	5.6
91.03956	2.8
91.05488	3.1
93.07056	2.5
95.04971	2.0
95.08635	1.3
97.02895	3.9
97.06546	0.7
99.04475	1.1
101.02411	1.2
103.03941	0.4
105.07014	2.0
107.04993	0.7
107.08601	1.3
109.02910	0.4
109.10197	0.5
111.08121	0.9
115.03938	0.4
116.81242	0.3
117.07014	0.6
119.08581	2.1
121.10162	0.5
127.03938	1.1
129.07022	0.7
131.08589	1.2
133.10115	1.8
145.10182	0.5
147.11723	1.4
149.09669	0.6
149.13268	0.4
157.10204	0.6
158.48436	0.3
175.11263	1.1
193.12242	1.7
203.05278	0.6
211.13286	0.7
243.08417	3.0
251.12631	1.3
307.15546	0.6
333.20297	2.0
434.58685	0.3
439.19693	0.6
453.21060	1.3
469.20496	9.7
470.20209	0.4
551.28198	3.9
779.41840	100.0
780.42157	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	779.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05517	1.0
55.08047	0.3
57.03440	1.9
61.02925	3.6
64.57271	0.3
67.05518	3.5
69.03426	2.9
69.07071	1.5
70.77805	0.3
71.01363	0.4
71.05000	0.6
73.02916	2.4
73.39135	0.3
74.05669	0.3
79.05494	2.7
81.03422	3.6
81.07061	3.5
81.65615	0.3
83.05017	0.6
83.08620	1.1
85.02908	4.2
87.04445	0.4
91.03948	1.8
91.05481	3.0
93.07049	2.0
95.04971	1.9
95.08636	1.3
97.02908	3.1
97.10199	0.5
99.04462	0.7
101.02399	1.4
105.07034	1.7
107.04978	0.3
107.08629	1.2
109.02900	0.7
109.06564	0.4
109.10190	0.4
111.08159	0.3
117.07024	0.6
119.08593	1.9
121.10166	1.1
123.08048	0.5
127.03946	1.1
127.35222	0.3
129.07057	0.6
131.08617	1.2
133.10161	1.0
145.04984	0.3
147.11700	1.4
149.09636	0.3
157.10204	0.8
175.11256	0.7
185.04314	0.9
193.12308	1.3
203.05450	0.4
211.13322	0.7
243.08446	2.8
251.12704	0.9
263.84442	0.4
307.15262	0.6
333.20322	1.5
389.23007	0.4
390.46405	0.3
439.19824	0.4
453.20764	0.4
469.20453	9.5
541.22369	0.4
551.28314	4.0
640.97968	0.3
779.41827	100.0
780.42352	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.03443	1.4
59.41506	0.5
61.02931	3.3
67.05508	2.8
69.03426	2.8
69.07078	1.3
69.76040	0.6
69.76364	0.8
70.06598	3.1
71.05006	0.8
72.46346	0.4
73.02918	2.6
79.05119	0.5
79.05493	2.9
81.03428	2.4
81.07063	3.1
81.08283	0.5
83.04984	1.0
83.08645	1.1
85.02917	3.2
85.22039	0.4
91.03957	2.3
91.05488	2.6
93.07050	3.2
95.04987	1.4
95.08649	1.2
97.02911	3.0
97.06552	1.0
99.04511	0.5
101.02415	1.0
103.03957	0.7
105.07048	1.2
107.08611	1.5
109.02888	0.5
109.06524	0.6
109.10147	1.0
119.08597	1.1
121.10139	1.1
123.08109	0.6
123.11800	0.5
127.03941	1.0
131.08585	1.2
133.10187	1.0
135.11743	1.4
137.09694	0.5
145.10110	1.0
153.54778	0.4
163.11182	1.4
185.04295	0.7
193.12257	0.8
203.05228	0.6
243.08430	2.2
249.10968	0.7
261.32687	0.4
301.09317	0.5
302.30655	0.9
305.13367	0.5
335.21796	0.7
348.37488	0.5
391.22754	0.5
439.19138	0.6
467.18866	5.0
469.20605	1.4
500.25821	0.5
551.28937	0.8
553.29791	2.1
587.74536	0.4
761.39978	1.5
779.41632	100.0
780.42114	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.05502	0.4
56.05049	0.1
58.06598	0.1
67.05495	0.4
68.05011	0.1
69.03427	3.7
69.03804	0.2
69.07054	0.1
69.27108	0.6
70.06232	0.2
70.06591	2.0
70.66642	0.1
71.04993	2.5
79.05486	0.4
80.05006	0.6
81.07068	0.7
82.06557	0.2
83.04973	0.2
83.07343	0.1
84.08146	0.5
86.06037	0.2
91.05456	0.2
93.07034	0.8
94.06557	0.6
95.04952	0.2
95.08609	0.6
96.08126	0.7
97.06512	0.3
99.04452	1.8
100.07668	0.1
101.05932	0.1
105.07021	0.6
106.06506	0.1
107.08580	0.4
108.08070	0.2
109.06540	0.2
109.10137	0.3
110.09673	0.5
111.08078	2.6
112.07571	0.1
119.08582	0.6
120.08104	0.2
121.06517	0.1
121.10126	0.4
122.09659	1.2
123.08064	0.2
124.07608	0.2
124.08838	0.1
124.11272	0.2
125.05227	0.1
125.05925	0.5
125.09632	0.3
126.09190	0.1
128.07083	0.4
131.08566	0.3
132.08051	0.1
133.10107	0.3
134.09647	0.2
135.08006	0.2
136.11230	0.9
137.05959	0.5
137.09633	0.2
138.06322	0.1
139.06458	0.2
139.07530	3.2
141.92561	0.1
145.10132	0.3
147.11671	0.2
148.11201	0.3
149.09616	0.3
149.13263	0.1
150.09140	1.2
152.10693	0.5
153.09093	0.2
154.12271	0.3
158.07097	0.1
159.11678	0.3
162.12782	0.3
164.10748	0.1
164.14389	0.3
165.09076	0.1
168.10217	1.3
170.11775	0.1
175.11160	0.2
176.14380	0.1
177.12773	0.4
180.10191	0.4
182.11755	2.2
184.13359	0.5
185.13432	0.1
188.14357	0.1
190.15923	0.1
193.12184	0.1
195.13815	1.2
196.13425	0.1
198.11275	0.4
220.13205	0.1
221.11656	0.3
223.13277	1.4
234.14854	0.2
236.16435	0.5
237.16876	0.1
252.15991	0.1
260.16492	0.1
262.18063	0.4
264.19568	0.3
292.18961	0.6
302.39706	0.1
316.18924	0.2
318.20602	1.1
322.19876	0.1
374.23016	0.3
388.21201	0.3
390.22726	4.5
391.23099	3.8
392.24255	100.0
393.24579	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	779.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05503	0.3
56.95617	0.1
67.05495	0.4
69.03432	3.1
69.39957	0.3
69.40347	0.3
70.06588	1.9
71.04997	2.2
79.05479	0.5
80.05018	0.6
81.07059	0.8
82.06579	0.1
83.04957	0.2
84.08144	0.6
86.79697	0.1
91.05462	0.2
93.07036	0.5
94.06584	0.3
95.04984	0.1
95.08603	0.4
96.08128	0.6
97.06554	0.2
97.08956	0.1
99.04454	1.4
100.07635	0.2
105.07034	0.5
105.30137	0.1
107.08595	0.5
109.06520	0.2
109.10139	0.2
110.09695	0.5
111.08080	2.9
118.97899	0.1
119.08577	0.6
121.10130	0.3
122.09657	1.2
123.08039	0.2
124.07592	0.3
125.05991	0.5
125.09594	0.1
128.07076	0.5
131.08633	0.2
133.10147	0.2
134.09613	0.2
135.08058	0.2
136.11241	0.9
137.05983	0.4
137.09592	0.2
139.07550	2.9
145.10143	0.1
147.11697	0.2
148.11218	0.1
149.09619	0.3
150.09138	1.6
152.10704	0.4
154.12268	0.4
161.11923	0.1
162.12730	0.2
164.14403	0.2
166.15948	0.1
168.10172	1.2
175.11263	0.3
177.12761	0.2
180.10237	0.2
182.11760	1.9
184.13310	0.4
195.13754	1.2
196.13460	0.2
198.11253	0.4
221.11775	0.4
223.13272	1.5
234.14880	0.2
236.16432	0.3
252.15973	0.2
262.18002	0.2
264.19684	0.4
292.19003	0.5
318.20572	1.2
322.20190	0.2
374.23279	0.2
390.22745	6.3
391.23087	2.8
392.24280	100.0
393.24640	3.2
456.92664	0.1
506.27353	0.1
539.18292	0.1
577.84326	0.2
649.15723	0.1
745.39294	0.1
784.25531	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	779.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
56.62635	0.2
60.51336	0.2
62.41674	0.2
67.05508	0.5
69.03428	1.9
70.06589	2.6
71.04990	1.3
79.05491	0.7
79.85426	0.2
80.05013	0.7
81.07059	2.1
84.08129	0.7
91.05479	0.2
93.07029	0.6
94.06586	0.6
95.08607	0.7
96.08114	0.7
97.02894	0.6
98.23508	0.6
99.34690	0.2
100.07590	0.4
105.07038	0.5
107.08604	0.9
108.08127	0.3
109.06495	0.5
110.09679	0.7
111.08092	0.4
119.08566	0.3
121.10133	0.2
122.09687	1.4
123.08022	0.4
124.08850	0.7
124.11272	0.3
125.05978	0.4
128.07050	0.4
132.08122	0.2
135.08054	0.6
136.11230	1.1
137.05971	5.4
145.10068	0.5
145.88940	0.3
147.07985	0.2
150.09169	1.8
152.10692	0.5
154.12299	0.5
162.12770	0.8
164.14229	0.3
166.15915	1.0
168.10216	1.7
180.10301	0.3
182.11754	2.1
184.13316	0.5
194.15384	0.6
198.11230	0.4
221.11703	1.3
234.58882	0.2
236.16422	4.4
264.19629	1.3
278.17633	0.3
292.19061	2.9
316.19089	1.8
390.22726	100.0
391.23041	4.4
588.01190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05518	1.9
57.03438	2.3
59.04998	0.4
61.02930	6.8
61.63691	0.3
64.50812	0.3
67.05505	6.0
69.03428	3.8
69.07075	1.1
69.79756	1.0
71.01365	0.6
71.04993	1.5
73.02914	5.1
79.05491	4.0
79.39510	0.3
81.03425	3.7
81.07055	5.5
83.04988	0.7
83.08625	1.0
83.18694	0.3
85.02908	6.6
85.06561	0.3
85.29418	0.3
87.04485	0.9
91.03955	4.3
91.05476	3.2
93.07050	4.5
94.50784	0.3
95.04986	1.0
95.08607	3.9
97.02898	6.0
97.06548	0.7
97.10193	0.3
98.23395	0.6
99.04483	1.0
101.02377	2.5
103.03983	0.6
105.04589	0.4
105.07022	2.0
107.03922	0.3
107.07969	0.4
107.08595	2.5
109.02909	0.9
109.10172	1.6
111.08096	0.6
115.03941	0.4
117.07036	0.5
119.08588	1.6
121.10139	3.3
123.08157	0.3
123.11752	0.4
127.03926	2.4
129.05515	0.5
129.07039	0.3
131.08527	1.7
133.10176	1.0
135.11740	1.0
145.04997	0.6
145.10167	0.7
147.11674	1.5
149.09680	1.3
149.10744	0.3
149.13329	0.6
157.10139	0.4
159.11739	0.5
175.11237	0.7
184.54474	0.3
185.04292	1.2
189.82544	0.3
193.12323	0.9
203.05424	0.7
220.19815	0.3
225.14807	0.6
233.11513	0.6
243.08400	3.1
267.16068	0.6
271.50223	0.3
275.77609	0.3
283.15164	7.5
299.14645	0.3
335.25711	1.4
339.17859	0.7
441.21719	0.4
474.78799	0.3
501.23087	9.6
519.29321	10.8
520.29559	0.4
617.39844	0.5
779.45477	100.0
780.45789	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	779.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05512	1.4
57.03459	2.3
57.37836	0.4
61.02932	6.9
67.05509	7.2
69.03436	4.0
69.07072	1.3
69.82989	0.9
69.83383	1.0
71.04998	1.1
73.02918	4.1
79.05503	4.7
81.03423	3.2
81.07063	6.3
83.05021	0.5
83.08636	0.6
85.02909	6.6
87.04486	0.6
91.03952	3.2
91.05473	3.1
93.07047	4.8
95.04991	1.2
95.08605	4.5
97.02889	4.9
97.10202	0.4
99.04459	1.3
101.02364	2.4
103.03931	0.5
104.11106	0.4
105.07034	2.0
107.08588	2.2
109.02895	0.8
109.10175	2.0
111.08024	0.5
119.08613	1.8
121.10153	2.6
123.11723	0.5
127.03928	1.5
131.08562	1.3
133.10143	1.2
135.11731	0.7
145.10167	0.7
147.11736	1.2
149.09727	0.6
157.10246	0.6
185.04213	0.6
243.08418	2.1
256.79575	0.5
267.15881	0.5
283.15213	4.2
335.25769	0.5
501.23029	5.8
519.29303	8.6
779.45490	100.0
780.45734	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	780.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05511	4.4
57.03434	0.6
57.07069	0.5
59.04987	0.2
61.02931	1.0
65.03928	0.4
67.05508	1.4
69.03429	3.7
69.07067	9.0
69.47829	0.5
70.06586	0.5
70.64630	0.1
71.04995	0.4
71.66380	0.1
73.02901	0.7
77.03944	0.2
79.05491	1.8
81.03413	2.5
81.07055	4.1
83.04974	0.2
83.08619	3.0
84.20371	0.2
85.02905	11.0
87.04469	3.6
87.05007	0.2
91.03963	0.5
91.05479	6.4
91.06056	0.3
93.07047	2.7
95.04956	0.8
95.08609	4.9
95.09216	0.3
95.29603	0.1
97.02888	3.2
99.04458	0.8
101.02421	0.2
103.03928	0.2
103.05473	0.9
104.06248	0.4
105.04539	0.2
105.07027	13.7
106.07382	0.3
107.08595	6.2
109.02886	1.8
109.06522	0.4
109.10157	1.2
111.04482	0.2
115.03930	13.3
115.05514	0.5
117.07011	2.3
119.08579	51.1
120.08169	0.1
120.08804	0.7
121.10133	2.7
123.08031	0.2
127.03912	5.4
131.08569	1.4
132.09320	0.2
133.04968	6.3
133.10127	26.6
134.10477	0.5
135.11653	0.8
136.06169	1.0
136.11201	0.3
137.09639	0.2
138.12801	0.3
139.13112	0.3
142.12257	0.1
143.08493	0.3
145.04965	5.8
145.10092	2.1
146.10919	0.4
147.10567	0.3
147.11688	4.2
157.10106	0.2
159.11755	0.4
160.12450	1.1
161.13258	0.4
163.03900	0.2
163.06017	1.4
173.09718	0.2
173.13231	1.3
175.14816	100.0
176.15169	2.2
177.16339	0.3
181.04916	0.2
185.13248	0.2
193.15881	1.1
204.13789	0.3
214.54424	0.1
217.07010	0.2
241.07066	0.4
259.08118	1.7
275.12595	0.2
277.09171	7.8
278.09628	0.1
283.16782	0.3
301.18036	0.2
312.62701	0.1
329.12296	0.5
343.17831	0.2
347.13528	0.2
388.21048	0.9
389.21542	2.2
390.16916	0.2
390.21832	3.4
391.22144	3.3
392.22388	1.8
393.22943	0.3
433.21716	0.2
451.23016	0.2
466.84836	0.2
669.36682	0.2
719.66528	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	780.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.4
55.05514	11.4
57.03436	3.3
57.07062	3.0
58.49100	1.2
59.04989	1.6
61.02931	3.1
63.96743	1.2
65.03931	2.0
67.05502	25.6
69.03431	18.6
69.07069	18.0
70.06585	1.9
71.04984	3.2
71.44714	1.8
73.02914	3.7
77.03921	1.5
79.05488	14.9
81.03415	11.7
81.07058	54.0
83.04953	2.1
83.08619	9.7
85.02401	2.7
85.02905	36.3
85.06578	2.5
87.00823	7.8
87.04491	7.4
87.51102	1.5
91.05479	23.3
92.22031	1.3
93.07046	72.6
95.04961	5.8
95.08606	49.3
97.02895	16.4
97.06541	2.5
97.10161	3.1
99.04465	6.6
105.01871	8.3
105.04511	3.0
105.07029	63.2
107.04219	1.5
107.04942	1.7
107.08597	49.7
109.02876	12.3
109.06538	2.3
109.10158	73.6
111.04425	1.3
111.08099	10.3
111.11710	1.7
115.03941	21.6
117.07028	3.3
119.06058	1.5
119.08576	49.7
121.06475	1.4
121.10145	47.4
123.11703	14.8
125.09625	5.6
126.48846	1.3
127.03905	23.7
127.81850	1.3
129.01894	1.6
131.08571	3.4
133.04980	9.7
133.10124	33.5
135.11693	39.8
137.13255	2.9
143.08592	2.0
145.04970	18.7
145.10138	5.5
147.11681	58.3
149.13315	2.3
151.11191	1.8
157.10143	1.4
159.02882	3.9
159.11723	3.9
161.09543	1.4
161.13252	19.7
163.05956	2.1
163.11143	1.6
165.12807	4.3
171.11783	1.4
172.95377	1.3
175.14842	11.0
203.17947	100.0
204.18422	3.0
211.07599	1.8
214.18005	2.4
221.18939	9.1
231.04961	4.5
241.06929	2.4
259.08008	2.0
277.09210	11.6
285.80502	1.3
315.09164	1.5
325.19656	1.4
415.20862	1.4
779.43292	1.9
780.33551	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	780.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05512	5.0
57.03436	0.8
57.07082	0.3
61.02937	1.2
65.03944	0.5
67.05505	1.4
69.03434	3.7
69.07069	9.9
70.06615	0.5
71.04998	0.7
73.02916	0.8
75.58416	0.2
77.03924	0.3
79.05498	1.9
81.03423	2.9
81.07056	4.4
83.04979	0.3
83.08625	3.2
85.02908	12.8
87.04469	3.1
91.03966	0.8
91.05480	7.8
91.66193	0.2
93.07051	2.5
95.04979	0.7
95.08607	5.4
97.02900	4.6
98.22602	0.4
99.04462	0.9
103.03953	0.3
103.05463	0.8
104.06257	0.5
105.04541	0.3
105.07035	15.5
106.07320	0.3
107.04948	0.3
107.08595	8.9
109.02885	2.2
109.06500	0.5
109.10158	1.4
115.03934	14.0
116.04236	0.2
117.07014	3.5
119.08585	65.2
120.08868	1.3
121.10142	4.1
123.08047	0.2
123.11715	0.3
127.03924	7.2
127.04865	0.4
129.06989	0.2
131.08589	1.6
133.04973	10.0
133.10130	25.5
134.10550	0.5
135.11676	0.9
145.04962	8.0
145.10136	1.7
146.10881	0.3
147.11684	3.9
159.11734	0.4
160.12471	1.2
161.13223	0.6
163.06000	1.6
173.13269	0.9
175.14824	100.0
176.15146	2.3
177.16417	0.3
191.14211	0.2
193.15884	0.4
203.03592	0.2
204.13870	0.2
217.07260	0.2
217.15955	0.2
241.06985	0.5
259.08078	2.1
277.09198	14.4
278.09430	0.3
329.12265	0.3
347.13504	0.2
388.21201	0.4
389.21396	0.9
390.21909	0.4
391.22125	0.3
392.22531	0.3
445.75262	0.2
451.23117	0.3
472.13492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
55.05512	14.3
57.03431	4.6
57.07070	3.0
59.04994	3.5
61.02925	7.8
65.03935	3.7
66.37155	1.3
67.05506	38.5
68.05849	1.7
69.03428	26.4
69.07069	20.8
69.47874	2.8
69.48295	3.6
70.06601	4.6
71.04995	5.3
73.02905	5.8
79.05496	21.4
80.43581	1.2
81.03423	21.5
81.07060	59.8
82.07372	1.3
83.04988	2.4
83.08629	8.1
85.02907	66.8
85.06542	6.2
85.58430	1.1
87.00811	4.4
87.04475	14.6
91.03948	3.8
91.04931	2.4
91.05476	29.6
93.07045	86.6
95.04967	10.8
95.08607	65.4
96.08213	1.2
97.02893	29.9
97.06524	1.7
97.10167	3.8
99.04461	7.4
103.03925	2.2
105.01860	7.6
105.04526	3.4
105.07031	73.7
106.07327	1.6
107.04958	1.4
107.08598	57.8
109.02874	15.1
109.06516	2.7
109.10159	98.7
111.04477	1.9
111.08070	8.7
111.11732	2.4
115.03931	42.2
117.07011	3.5
119.08584	66.8
121.06505	3.0
121.10143	44.0
121.10991	2.8
123.08003	1.4
123.11707	18.3
125.09606	1.9
127.03914	37.3
129.06996	1.3
131.08540	4.1
133.04971	23.5
133.10126	41.6
135.11691	54.5
136.12086	1.3
137.05984	1.4
137.13205	1.7
143.08562	1.5
145.04959	38.4
145.10168	6.0
147.11687	65.3
149.13257	3.0
151.11224	1.3
157.05032	1.8
157.10153	1.6
159.02942	1.3
159.07982	1.4
159.11703	2.9
161.13281	17.9
163.06023	5.9
163.11189	2.7
163.14850	2.0
165.12726	3.8
171.11649	1.4
173.09592	1.5
173.13226	1.5
175.14835	34.0
175.16354	1.7
189.12939	1.8
193.15840	2.7
201.16391	1.7
203.17950	100.0
204.18309	3.6
205.12241	1.6
205.19395	1.6
213.12825	1.4
213.67332	1.2
214.17923	2.1
221.19081	7.1
231.04984	3.9
241.07091	3.9
249.06076	1.4
259.08099	11.5
277.09167	30.6
277.14111	2.8
295.58707	1.3
388.21091	4.2
389.21582	2.6
391.22772	1.8
780.34943	2.3
780.44348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
55.05512	14.3
57.03431	4.6
57.07070	3.0
59.04994	3.5
61.02925	7.8
65.03935	3.7
66.37155	1.3
67.05506	38.5
68.05849	1.7
69.03428	26.4
69.07069	20.8
69.47874	2.8
69.48295	3.6
70.06601	4.6
71.04995	5.3
73.02905	5.8
79.05496	21.4
80.43581	1.2
81.03423	21.5
81.07060	59.8
82.07372	1.3
83.04988	2.4
83.08629	8.1
85.02907	66.8
85.06542	6.2
85.58430	1.1
87.00811	4.4
87.04475	14.6
91.03948	3.8
91.04931	2.4
91.05476	29.6
93.07045	86.6
95.04967	10.8
95.08607	65.4
96.08213	1.2
97.02893	29.9
97.06524	1.7
97.10167	3.8
99.04461	7.4
103.03925	2.2
105.01860	7.6
105.04526	3.4
105.07031	73.7
106.07327	1.6
107.04958	1.4
107.08598	57.8
109.02874	15.1
109.06516	2.7
109.10159	98.7
111.04477	1.9
111.08070	8.7
111.11732	2.4
115.03931	42.2
117.07011	3.5
119.08584	66.8
121.06505	3.0
121.10143	44.0
121.10991	2.8
123.08003	1.4
123.11707	18.3
125.09606	1.9
127.03914	37.3
129.06996	1.3
131.08540	4.1
133.04971	23.5
133.10126	41.6
135.11691	54.5
136.12086	1.3
137.05984	1.4
137.13205	1.7
143.08562	1.5
145.04959	38.4
145.10168	6.0
147.11687	65.3
149.13257	3.0
151.11224	1.3
157.05032	1.8
157.10153	1.6
159.02942	1.3
159.07982	1.4
159.11703	2.9
161.13281	17.9
163.06023	5.9
163.11189	2.7
163.14850	2.0
165.12726	3.8
171.11649	1.4
173.09592	1.5
173.13226	1.5
175.14835	34.0
175.16354	1.7
189.12939	1.8
193.15840	2.7
201.16391	1.7
203.17950	100.0
204.18309	3.6
205.12241	1.6
205.19395	1.6
213.12825	1.4
213.67332	1.2
214.17923	2.1
221.19081	7.1
231.04984	3.9
241.07091	3.9
249.06076	1.4
259.08099	11.5
277.09167	30.6
277.14111	2.8
295.58707	1.3
388.21091	4.2
389.21582	2.6
391.22772	1.8
780.34943	2.3
780.44348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
63.02379	0.8
64.61372	0.6
65.03934	0.6
69.75911	1.2
76.08360	0.5
77.03908	0.7
79.05501	10.7
89.03917	1.4
90.04690	1.7
91.05030	0.7
91.05495	8.5
93.07037	1.0
95.04970	3.1
103.05469	16.1
105.04515	1.8
105.07031	79.8
106.07368	1.5
107.04947	1.3
108.05700	0.7
115.05457	17.4
118.04173	6.6
119.04939	5.3
121.06480	1.3
130.04112	0.6
131.04926	8.4
132.05690	1.0
133.06491	69.4
134.06853	1.4
136.05167	1.2
137.05925	1.0
143.04951	1.0
143.06012	6.9
147.04442	4.0
148.05177	1.6
149.05992	6.3
151.07524	4.2
159.04395	0.7
161.05980	100.0
162.06493	2.3
163.07541	3.1
164.08253	0.9
175.03670	6.8
175.07617	0.8
176.04552	1.4
176.08304	3.7
177.05501	3.2
177.09087	3.4
179.07034	5.1
184.04916	4.1
185.05836	1.8
189.05243	5.0
191.07030	15.6
191.08675	1.0
192.07722	0.8
193.08603	24.5
194.08897	1.1
203.03159	1.0
203.06908	1.0
204.03975	0.9
205.04715	14.7
206.05003	1.1
207.06528	13.3
209.08159	1.0
215.06831	4.9
217.04822	1.0
217.08572	0.7
218.05534	0.8
219.10222	0.9
225.07600	0.9
228.07745	0.7
230.05531	1.1
232.07054	8.5
267.08597	2.8
277.10751	3.3
290.07654	2.0
303.30487	0.7
320.10297	2.2
337.10764	1.0
351.11713	0.9
365.09698	3.2
380.12033	2.8
397.12534	0.8
443.12909	1.1
471.16214	6.1
483.16455	0.8
529.16907	6.3
542.17340	1.5
591.96631	0.7
619.21454	1.2
721.24622	95.6
722.24847	7.9
781.26764	55.9
781.38116	1.0
782.26917	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	781.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05509	1.5
57.03440	2.2
61.02925	6.0
67.05514	7.5
69.03425	2.9
69.11446	1.9
69.11850	2.6
70.06583	0.8
71.01354	1.1
71.05006	1.0
72.04524	0.9
73.02919	3.5
79.05484	3.6
81.03413	2.3
81.07069	2.6
83.08622	1.0
85.02900	5.2
91.03953	3.5
91.05499	2.1
93.07047	3.0
95.08620	1.0
97.02907	4.2
97.06536	1.3
97.10157	0.9
99.04438	0.9
99.71327	0.6
101.02389	2.0
103.03887	1.1
107.08605	2.0
109.02867	1.0
109.10156	5.3
113.82381	0.7
117.06960	0.8
119.08602	1.7
127.03922	1.6
135.11732	3.0
137.09653	0.9
145.10112	0.7
163.11162	1.1
173.11743	2.6
184.07393	1.8
185.04211	1.3
195.09972	1.1
221.11562	2.1
229.14412	1.1
243.08444	2.9
255.16183	1.2
260.71988	0.7
277.14297	0.8
301.09018	2.3
327.10532	0.8
371.41031	0.7
373.10971	1.9
385.18362	1.4
413.17773	12.7
429.17511	2.2
439.19385	14.3
449.25027	1.3
455.19186	1.3
469.20337	1.3
510.88959	0.8
511.21835	1.9
513.26581	0.8
581.48749	0.9
611.30353	100.0
612.30591	5.3
639.33862	2.2
667.32788	2.3
781.40991	40.0
782.41595	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	781.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.8
56.67768	0.4
57.03421	1.4
61.02933	4.6
67.05508	8.0
68.34663	0.3
69.03434	3.1
69.07055	0.7
69.27730	2.0
71.01351	0.5
71.05000	0.5
71.14704	0.4
73.02923	3.8
79.05499	2.7
81.03419	2.2
81.07051	3.6
83.04974	0.5
83.08586	0.6
85.02898	4.3
87.04494	0.5
91.03954	3.1
91.05479	1.5
93.07037	3.2
95.05008	0.4
95.08613	2.8
96.24393	0.3
97.02907	4.6
99.04457	0.5
101.02361	1.8
105.07020	0.7
107.08596	1.7
109.02905	0.5
109.06470	0.4
109.10155	5.2
111.08063	0.4
115.03944	0.5
119.08611	1.0
121.10149	1.6
127.03919	1.5
131.08559	0.5
133.10123	0.6
135.11723	0.7
145.10133	0.7
146.03690	0.4
149.13280	0.5
173.11761	1.2
173.13120	0.4
185.04219	0.4
191.84404	0.3
195.09952	1.3
229.14423	1.2
243.08450	2.0
278.27170	0.4
335.25888	0.7
413.17831	7.7
414.18036	0.6
485.19699	0.6
503.19583	0.7
519.29437	7.0
519.36310	0.3
520.29822	0.4
691.40259	85.0
692.40588	5.0
735.41772	0.5
763.41626	2.0
781.41541	100.0
782.41931	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	781.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15292	0.3
61.02925	0.5
67.05505	0.9
69.03447	0.5
69.07066	0.3
70.06573	0.3
73.02926	0.7
79.05503	0.8
81.03436	0.5
81.07064	0.7
82.96764	0.3
85.02908	0.8
91.03979	0.6
91.05489	0.4
93.07056	0.9
95.08629	0.3
97.02927	1.0
99.29530	0.3
101.02388	0.4
104.10791	0.4
121.10191	0.5
129.86156	0.3
135.11716	0.4
147.11815	0.3
184.07330	0.5
198.47151	0.3
204.10306	0.3
204.26207	0.3
229.16904	0.4
262.80313	0.4
318.05930	0.3
485.20139	0.6
503.19418	0.8
519.29529	0.5
535.27338	0.5
693.07880	0.4
737.38538	0.4
763.42181	0.9
765.01788	0.3
781.41571	100.0
782.41736	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	781.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.8
56.97598	0.3
57.03400	0.9
61.02927	2.9
67.05506	3.4
69.03419	1.8
69.07048	0.6
69.60474	1.2
71.04942	0.5
73.02913	2.4
79.05495	1.7
81.03386	0.9
81.07061	2.5
83.08615	0.4
85.02895	3.7
91.03955	2.0
91.05443	1.1
93.07024	1.7
95.08591	2.0
97.02884	3.3
98.22747	0.6
99.04425	0.5
101.02338	1.4
105.06995	0.7
107.08561	0.9
109.02875	0.4
109.10149	2.5
111.08051	0.3
119.08508	0.7
121.10143	0.7
127.03884	0.9
131.08565	0.7
135.11707	0.4
135.76385	0.3
145.10104	0.4
173.11726	0.4
184.07320	0.8
185.04230	0.5
195.09950	0.6
229.14383	0.4
243.08394	1.3
335.26108	0.4
413.17761	2.5
440.19925	0.3
485.20139	0.4
503.20551	0.5
519.29321	4.5
519.36261	0.4
520.30029	0.4
535.26453	0.4
596.80823	0.3
691.40265	50.1
692.40369	2.3
724.59015	0.4
763.41986	1.4
781.41528	100.0
782.41656	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	781.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
57.03437	0.8
61.02929	2.5
64.62881	0.3
67.05514	2.3
69.03435	2.0
69.07076	1.0
71.01368	0.6
71.44727	0.3
73.02932	2.2
79.05511	1.7
81.03424	0.9
81.07050	2.6
85.02912	2.4
88.54961	0.3
88.55455	0.3
91.03966	1.5
91.05496	0.9
93.07047	2.2
95.04948	0.4
95.08614	1.8
97.02888	2.5
98.97594	0.4
99.04525	0.3
101.02390	0.9
103.03977	0.3
105.07070	0.7
107.08620	1.5
109.02912	0.3
109.10149	0.6
117.07034	0.6
117.94877	0.3
119.08612	0.5
121.10177	1.4
122.53059	0.3
127.03921	0.9
128.08598	0.3
131.08656	0.3
133.10197	0.4
135.11684	0.6
145.10188	0.6
169.54788	0.3
184.07364	0.7
185.04192	0.4
199.84660	0.3
243.08519	1.2
244.51089	0.3
267.12073	0.7
270.95859	0.3
285.13205	1.2
353.82224	0.3
427.19437	0.6
443.18811	0.6
485.19818	1.9
503.21103	1.0
519.29395	2.3
535.27924	0.3
611.31030	0.4
763.42432	3.5
781.42163	100.0
782.42383	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	781.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.5
57.03432	1.7
57.07088	0.6
61.02930	4.0
66.96083	0.4
67.05507	2.6
69.03422	3.1
69.07063	1.0
70.06989	1.0
70.07355	0.5
71.04995	0.8
71.08646	0.6
73.02918	3.2
78.21870	0.4
79.05492	3.1
81.03422	3.6
81.07060	3.1
83.05003	0.6
83.08623	1.2
85.02911	5.1
91.03957	2.1
91.05484	2.6
93.07062	2.1
95.04958	1.9
95.08633	1.5
97.02895	3.4
97.06575	0.6
97.10216	0.3
99.04482	1.0
99.08118	0.4
101.02405	1.4
105.07029	1.8
107.08620	1.5
109.10201	0.7
111.08099	0.5
119.08575	2.0
121.10165	1.2
125.09680	0.4
127.03940	0.9
129.07043	0.7
131.08620	0.9
133.10118	1.2
135.11755	0.4
139.11235	0.4
147.11710	0.9
149.09612	0.5
157.10178	0.7
163.38333	0.4
171.11755	0.4
175.11247	0.9
185.04250	0.4
186.04892	0.4
193.12346	1.3
208.98570	0.4
211.13275	0.5
243.08354	2.2
251.12625	0.7
307.15076	0.4
335.21893	2.5
391.24750	0.8
439.19702	0.9
443.18890	0.5
453.20822	0.6
469.20447	8.2
470.20609	0.6
471.21640	0.8
487.21945	0.5
553.29791	3.2
705.26117	0.4
712.36115	0.4
781.43304	100.0
782.43848	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	781.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60485	0.4
55.05511	1.2
57.03438	2.1
58.31589	0.4
61.02931	5.7
67.05502	5.2
69.03426	3.7
69.07085	1.5
69.20770	2.4
70.25342	0.4
71.01379	0.4
71.05004	1.1
73.02913	4.6
78.28543	0.4
79.05501	3.7
81.03402	2.2
81.07063	4.5
83.04998	0.5
84.75224	0.4
85.02909	5.4
91.03967	4.7
91.05478	2.2
93.07037	3.9
95.05015	0.7
95.08611	3.7
97.02893	5.0
97.06541	0.9
99.04472	1.6
101.02377	2.3
105.07042	1.3
107.08601	2.5
109.02902	0.6
109.10173	1.4
117.07113	0.6
119.08612	0.9
120.24129	0.4
121.10137	2.9
123.08109	0.5
123.11711	0.5
127.03931	1.3
131.08586	0.7
133.10167	0.6
135.11719	1.4
139.11278	0.5
145.04977	0.5
145.10120	1.2
146.57877	0.5
163.11227	0.7
165.89616	0.4
184.07405	1.5
185.04329	0.8
194.07294	0.4
209.11864	0.4
209.95212	0.5
240.77878	0.4
243.08511	1.8
247.82458	0.5
261.22308	0.5
267.12161	1.2
285.13135	2.6
321.89267	0.5
335.25900	0.7
345.80365	0.5
485.19800	2.2
503.20886	2.2
507.94437	0.5
519.29236	6.8
520.29663	0.6
611.31384	0.6
763.42102	4.1
764.43060	0.7
776.86987	0.4
781.43347	100.0
782.43567	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	781.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
55.02004	0.5
55.05362	0.4
55.05640	0.5
57.03283	0.9
57.03601	0.9
60.23374	0.2
61.02757	2.8
61.03118	2.3
67.05328	4.8
67.05737	3.2
69.03254	1.8
69.03675	1.1
69.06909	0.5
69.07269	0.4
71.01203	0.3
71.01558	0.2
71.04839	0.5
71.08459	0.2
73.02727	1.9
73.03194	1.0
77.26563	0.2
79.05293	1.3
79.05807	0.6
81.03212	1.3
81.03727	0.4
81.06856	1.9
81.07397	0.8
83.04838	0.3
83.08451	0.5
83.08867	0.3
85.02696	3.3
85.03283	1.2
85.06406	0.2
91.03745	2.7
91.04385	0.8
91.05259	1.1
91.05901	0.5
93.06825	1.8
93.07467	0.5
95.04773	0.4
95.05336	0.3
95.08395	1.6
95.09044	0.5
97.02667	3.6
97.03371	1.1
97.06355	0.2
99.04229	0.9
100.58620	0.3
101.02145	1.3
101.02879	0.5
103.03746	0.5
105.06812	0.8
107.08368	0.7
107.09022	0.3
109.02650	0.9
109.09915	5.2
109.10749	1.1
111.07894	0.3
115.03753	0.4
119.08333	0.9
121.09888	0.8
121.10691	0.3
125.09335	0.2
127.03652	1.4
127.04646	0.5
131.08368	0.3
135.11485	0.5
135.12376	0.2
137.09450	0.2
140.56445	0.2
142.03293	0.2
145.04698	0.6
149.13145	0.2
155.10513	0.5
173.11440	2.3
173.13054	0.5
185.03885	0.8
195.09616	0.7
203.05052	0.4
229.14304	1.2
243.08400	2.4
256.44473	0.2
257.13364	0.3
335.25558	0.5
413.17804	12.1
414.17917	0.5
503.20523	0.3
519.29303	5.6
520.13354	0.2
529.34882	0.2
631.63757	0.2
691.40265	100.0
692.40601	8.2
735.42969	1.0
763.41980	0.8
781.42743	15.7
782.43219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
55.01994	0.2
55.05378	0.6
55.05671	0.5
57.03289	1.3
57.03617	0.9
61.02777	3.8
61.03132	2.3
67.05345	5.5
67.05751	2.5
69.03265	2.6
69.03692	1.1
69.06905	0.8
69.07307	0.3
69.16708	1.2
71.01228	0.3
71.04836	0.6
71.05212	0.4
73.02749	3.4
73.03211	1.3
79.05317	2.3
79.05839	0.8
81.03232	1.5
81.03756	0.4
81.06875	3.9
81.07413	1.2
83.08447	0.6
85.02723	5.4
85.03299	1.5
87.04325	0.4
87.04794	0.3
91.03761	3.5
91.04397	0.8
91.05296	1.5
91.05898	0.5
93.06845	2.7
93.07503	0.6
95.04816	0.5
95.08413	3.3
95.09088	0.6
97.02692	4.2
97.03387	0.8
97.06413	0.3
97.10028	0.4
98.22631	0.2
99.04265	0.9
101.02170	1.7
101.02884	0.5
103.03758	0.6
105.06821	0.9
107.08382	1.8
107.59578	0.2
109.02675	0.9
109.09943	4.3
109.10770	0.7
110.49502	0.2
110.76399	0.2
111.07876	0.6
115.03768	0.4
117.06859	0.5
118.96372	0.2
119.08346	1.0
119.62873	0.2
121.09922	1.8
123.11527	0.6
127.03684	1.5
127.56380	0.2
129.16919	0.2
131.08371	0.6
131.09212	0.2
133.09909	0.6
135.11447	0.9
135.12439	0.4
145.04778	0.5
145.05779	0.2
145.09850	0.7
145.10876	0.3
147.11411	0.6
149.13043	0.4
155.10526	0.3
159.11516	0.3
163.14590	0.2
173.11473	1.3
173.13040	0.5
185.03955	0.8
195.09622	1.3
203.05043	0.5
225.36302	0.2
229.14049	0.7
243.08414	2.3
251.12480	0.3
261.21783	0.3
296.97171	0.2
335.25772	1.3
413.12552	0.4
413.17795	6.2
414.17731	0.4
416.11700	0.2
497.31430	0.3
519.29291	11.5
520.29535	0.6
529.34644	0.3
691.40247	100.0
692.28534	0.3
692.40564	7.7
735.43042	0.8
763.42401	0.8
781.42725	12.0
782.43396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.05527	0.8
57.03439	1.7
57.49527	0.2
59.05002	0.3
61.02927	4.6
67.05507	7.5
69.03433	2.3
69.07079	0.7
69.86197	0.5
71.05000	0.7
73.02917	3.2
74.99756	0.2
79.05503	1.7
81.03416	1.4
81.07057	2.8
83.08649	0.8
85.02907	4.0
85.06549	0.3
87.04510	0.3
91.03963	3.0
91.05479	1.3
93.07046	2.2
95.04986	0.6
95.08605	2.1
97.02898	3.6
98.22719	0.3
99.04479	0.7
101.02402	1.8
103.03966	0.4
105.07053	0.6
107.08630	1.0
108.08017	0.3
109.02928	0.5
109.10159	7.5
109.10890	0.4
111.08107	0.3
112.05964	0.2
115.03986	0.3
119.08645	0.8
121.10181	1.0
127.03921	1.5
131.08604	0.3
133.10196	0.4
135.11736	0.7
137.09694	0.4
145.05013	0.5
145.10129	0.5
147.43063	0.2
155.10745	0.7
159.11729	0.3
159.70425	0.2
173.11751	1.7
185.04282	0.7
195.08432	0.3
195.10013	1.1
200.92473	0.3
203.05234	0.4
229.12520	0.2
229.14275	1.3
243.08374	2.2
413.17825	12.1
414.18201	0.5
425.39938	0.2
485.19867	0.3
519.29327	5.4
520.29968	0.3
691.40253	100.0
692.40546	7.8
763.41693	0.3
781.42004	12.5
782.42560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05486	1.1
57.03446	2.3
61.02929	6.2
65.03894	0.4
67.05506	8.0
69.03431	3.9
69.07027	0.9
69.34492	0.4
69.34793	2.0
71.01342	0.5
71.04937	0.4
73.02917	4.3
79.05498	3.0
81.03424	1.9
81.07060	3.8
83.08595	0.7
85.02909	6.1
85.06473	0.4
88.15443	0.4
89.25634	0.3
91.03960	4.2
91.05482	2.2
93.07047	3.2
95.04913	0.6
95.08609	3.7
97.02368	0.4
97.02889	4.7
99.04433	1.2
101.02345	1.6
103.03886	0.5
105.06979	1.2
107.08578	1.4
109.02865	0.8
109.10173	4.7
115.03900	0.6
119.08563	1.2
121.10106	1.5
127.03870	1.5
131.08537	0.7
133.10144	0.4
135.11661	0.9
145.10115	0.3
147.11713	0.5
155.10649	0.4
173.11716	1.1
185.04280	0.5
195.09962	0.9
243.08321	1.8
273.16699	0.4
335.25473	0.6
404.55765	0.5
413.17743	5.0
432.19852	0.4
519.29315	10.0
535.27185	0.5
691.40247	100.0
692.40521	7.7
763.41681	1.6
781.41541	68.6
782.41638	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	781.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.2
55.05518	1.1
57.03434	1.3
59.04977	0.3
61.02644	0.3
61.02927	4.6
65.03925	0.3
67.05503	6.7
69.03115	0.3
69.03426	2.7
69.07048	0.8
69.07404	0.2
69.80679	0.7
71.01347	0.4
71.04974	0.6
73.02917	3.0
74.77335	0.2
79.05497	2.5
81.03408	1.2
81.07062	3.2
83.08619	0.5
85.02416	0.2
85.02906	4.6
85.06541	0.3
87.04444	0.3
91.03958	3.5
91.05475	1.3
93.07048	2.7
95.04980	0.3
95.08617	2.5
97.02278	0.2
97.02895	4.2
99.04443	0.9
101.02377	1.9
103.03959	0.6
105.07011	0.8
107.07910	0.3
107.08589	1.8
109.02879	0.5
109.10159	5.4
111.08051	0.3
115.03957	0.3
119.08563	0.8
121.10190	1.1
123.11723	0.4
127.03909	1.7
129.94539	0.2
131.08557	0.4
133.10101	0.3
135.11661	0.5
145.04996	0.5
145.10139	0.3
147.11646	0.3
147.56728	0.2
149.13206	0.3
154.08730	0.2
155.10654	0.5
159.11612	0.2
161.13222	0.2
173.11790	1.1
185.04225	0.8
195.09991	0.7
202.25764	0.2
203.05313	0.4
229.14418	0.7
243.08330	2.0
335.25916	0.8
413.17834	7.5
414.17963	0.3
503.20523	0.3
519.29266	7.3
520.29559	0.4
529.35364	0.4
561.81616	0.2
604.87573	0.3
691.40253	100.0
692.40546	6.6
735.42682	0.6
763.42096	0.3
781.41669	21.4
782.41351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
69.03427	6.5
69.61428	0.8
69.61829	1.5
70.06589	5.1
71.04985	3.5
72.08127	0.5
79.05499	0.8
80.05005	1.8
81.07056	4.0
83.04995	0.7
84.08121	2.1
86.06064	0.6
91.05508	0.6
93.07051	1.4
94.06579	1.0
95.08601	0.8
96.08116	1.1
98.22742	1.0
99.04442	2.0
105.07015	1.3
107.08591	1.9
109.06522	0.9
110.09699	1.0
111.08070	3.5
119.08578	1.8
121.10181	0.8
122.09680	3.5
123.08048	1.1
124.07488	0.6
124.08848	0.6
125.05965	1.2
128.07066	0.8
133.10139	0.8
134.03149	0.5
135.08063	0.8
136.11188	2.4
137.05960	6.5
139.07541	3.7
145.10118	0.9
150.09122	3.7
152.10674	0.9
154.12288	1.1
162.12808	1.0
166.15915	1.5
167.40631	0.6
168.10226	2.8
182.11751	5.3
183.11902	0.6
184.13307	1.3
190.15984	0.9
192.17509	0.7
194.15353	0.8
195.13817	1.1
215.10095	0.6
221.11737	1.5
223.13289	1.4
234.15004	0.7
236.16411	4.2
264.19632	2.3
292.19052	2.3
316.19086	1.7
318.20645	1.5
334.67343	0.5
390.22726	96.3
391.23047	15.8
392.24234	100.0
393.24478	4.8
456.58316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05508	3.6
55.47701	0.4
56.05840	0.6
57.03189	0.5
57.03447	2.1
57.07080	1.1
61.02937	4.6
67.05506	7.3
68.05814	0.6
69.03429	2.9
69.07083	3.2
69.55078	1.7
71.01350	0.6
71.05006	1.4
73.02908	2.4
75.82794	0.5
79.05493	2.9
81.03430	3.4
81.07060	5.5
83.05001	0.8
83.08632	2.6
85.02907	4.1
85.06577	0.5
87.04449	0.5
91.03978	2.5
91.04510	0.4
91.05482	3.0
93.07047	3.4
95.05012	1.2
95.08605	4.1
97.02904	3.8
97.06529	1.0
97.10182	1.9
99.04488	0.6
101.02405	1.8
105.07046	0.9
107.08618	1.9
108.08942	0.5
109.02951	0.6
109.10141	2.9
110.10526	0.9
119.08602	1.4
121.10180	1.7
123.11715	1.0
125.09646	0.6
127.03942	1.4
129.07019	0.8
131.08586	1.1
133.10139	1.1
135.11731	0.9
147.11761	1.0
149.09621	1.3
173.11826	0.7
175.11229	0.6
184.07434	1.9
188.04288	0.4
193.12314	0.6
227.12851	0.6
229.14433	1.5
230.14844	1.0
243.08496	1.3
267.16061	0.7
283.15204	3.7
301.16364	0.8
302.16699	0.8
306.67450	0.5
337.27402	0.5
338.28162	0.5
339.17731	0.8
339.29022	1.7
340.29416	2.4
494.39349	1.0
501.23129	8.2
521.30957	4.8
521.38629	1.6
566.41058	0.8
781.47034	100.0
782.47345	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	782.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
55.05511	4.3
57.03434	4.9
57.07073	1.1
59.04992	0.7
61.02444	0.3
61.02928	6.7
61.11398	0.3
65.03956	0.5
67.05501	3.4
69.03432	29.8
69.07069	8.4
71.01360	1.0
71.04993	4.1
71.05780	0.4
71.08604	0.4
73.02915	6.6
79.05488	3.9
80.05032	0.3
81.03419	19.4
81.07058	9.5
83.01345	0.8
83.04988	1.2
83.08619	5.7
85.02907	90.6
85.06512	1.3
86.03243	0.9
86.03721	0.3
87.04469	26.2
89.14064	0.3
91.03956	4.2
91.05472	3.7
93.07050	11.1
95.04977	2.0
95.08607	28.7
96.08945	0.3
97.02895	34.8
97.10178	3.1
98.03239	0.3
98.22696	0.3
99.00824	0.3
99.04457	7.2
99.08093	6.2
101.02386	1.5
103.03951	3.7
103.05460	0.7
105.04507	0.4
105.07036	4.4
107.04955	1.5
107.08595	28.0
108.04460	0.8
108.08901	0.4
109.02879	20.5
109.06527	1.1
109.10157	7.0
110.03195	0.3
111.04447	1.2
111.08114	1.9
111.11723	0.6
113.09630	1.0
115.03932	100.0
116.04255	1.3
117.07018	0.6
119.04946	0.6
119.06042	0.3
119.08580	3.5
121.10146	48.0
122.10432	0.7
123.04440	0.7
123.08125	0.6
123.10863	0.6
123.11715	5.0
125.09628	2.4
126.05561	0.3
127.03915	56.5
128.04266	0.6
129.05492	1.1
131.08530	1.0
133.04971	38.7
133.10123	3.6
134.05295	0.4
135.08086	0.3
135.11694	10.8
137.05974	0.5
137.13243	3.5
139.03868	0.4
139.11235	0.8
143.08571	0.6
144.09273	0.3
145.04961	43.3
145.10110	1.0
146.05295	0.5
147.04378	0.6
147.11696	1.1
149.13258	4.0
157.04968	2.2
157.10153	0.9
159.07947	0.4
159.11690	1.2
161.13222	0.9
163.03912	5.7
163.06020	11.1
163.14874	0.3
165.05569	0.4
165.09157	0.4
167.07076	0.6
169.04973	1.1
171.11670	0.5
173.05945	0.4
173.09557	0.3
173.13243	1.4
175.06035	2.0
175.11247	0.5
175.14832	2.3
177.16383	87.7
178.16736	2.8
179.17912	0.4
181.05014	0.6
181.06952	0.5
183.11641	0.3
185.04500	0.5
185.13266	0.4
187.06033	1.7
187.07530	0.3
187.11130	0.4
187.14836	1.5
189.16408	0.6
190.06197	0.3
190.09724	0.3
193.05009	0.6
193.15924	0.5
195.17450	17.6
196.17706	0.6
199.14818	0.4
201.12782	0.3
201.16373	0.4
205.07050	0.7
205.08653	0.6
205.15791	0.6
207.17375	0.8
209.13252	0.4
211.11105	0.3
213.18500	23.0
214.18910	0.8
217.07024	1.4
217.15852	0.4
219.17418	0.7
223.05952	0.4
225.12776	0.3
227.14278	0.5
229.07080	0.5
231.17365	0.4
235.05920	0.4
235.16876	0.4
237.18504	0.4
241.07077	9.8
242.07501	0.4
243.17484	0.5
247.08073	0.7
253.06982	0.7
259.08139	18.6
260.08459	0.4
261.18442	0.7
267.17426	0.8
267.47934	0.3
271.08118	0.4
277.09180	66.3
278.09476	1.6
283.08130	0.7
285.18457	2.5
301.09213	2.2
303.19659	1.9
313.12735	0.3
319.10175	0.5
321.20694	0.8
325.11429	0.4
339.21790	0.7
343.10294	0.4
367.10190	1.7
383.14618	0.3
385.11307	2.4
403.12366	1.6
417.22705	1.0
421.13177	1.8
435.23755	3.8
435.29309	0.5
441.63260	0.3
453.24835	3.6
471.25891	1.2
481.13214	0.4
489.26788	0.6
499.14511	1.1
517.15503	2.4
518.15985	0.4
535.16626	4.1
694.97595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
55.05511	5.9
57.03436	2.7
57.07067	3.1
61.02913	0.7
67.05504	9.3
69.03427	2.6
69.07065	12.7
70.11955	0.5
70.12276	0.8
71.08620	0.9
73.02910	6.0
79.05482	4.8
81.07054	25.6
83.08619	6.3
85.02901	3.4
91.05471	3.6
93.07041	16.1
93.07490	0.4
95.01308	1.7
95.04961	1.1
95.08601	47.4
97.02882	6.9
97.10162	4.6
98.22814	0.5
98.93877	0.4
103.05494	0.7
105.07023	9.9
107.08588	26.5
109.10152	29.5
110.10471	0.4
111.11698	1.9
115.03928	5.4
117.07036	1.1
119.08578	20.6
121.02890	1.0
121.10139	27.2
123.11702	15.1
131.08574	4.2
133.04921	2.1
133.10123	16.7
135.11690	19.8
137.13249	9.8
141.01823	6.6
143.08504	0.7
145.10114	7.7
147.11685	13.0
149.13251	24.8
150.07613	0.6
150.13571	0.6
151.14842	1.1
153.09132	2.1
157.10133	0.5
159.02859	2.3
159.11678	4.6
160.12360	0.6
161.09573	0.6
161.13252	9.1
163.14819	6.3
165.09184	0.5
167.10657	0.9
171.11609	1.0
173.13251	5.4
175.14815	7.6
177.03928	0.6
177.16368	6.0
179.10710	2.1
179.17908	2.0
185.13240	0.6
187.14807	3.5
189.16377	26.7
191.17935	42.6
192.18336	1.0
193.19525	0.7
199.14842	1.4
201.16373	35.0
202.16696	1.1
203.17943	31.4
204.18219	0.6
205.19510	31.3
206.19843	0.9
207.17439	1.6
213.16412	2.1
215.17941	14.7
216.18239	0.8
217.19536	8.9
219.17456	0.9
219.21004	0.7
221.15427	1.7
221.18942	0.9
227.17978	1.3
229.15895	0.7
229.19498	2.1
231.21054	2.1
233.15359	0.7
235.16910	5.8
241.19495	2.2
243.21063	4.8
245.22704	3.5
247.16924	23.7
249.18442	4.4
255.04956	0.8
255.21071	1.9
257.22571	1.9
259.16873	1.2
261.18472	9.4
269.22568	2.0
273.06018	1.2
275.20197	0.7
283.24255	0.6
287.20087	1.5
289.21558	2.5
291.07059	1.0
301.21707	0.9
309.08167	1.1
315.23230	1.8
329.24738	0.6
343.26553	0.4
346.28854	0.4
351.30307	0.6
355.26126	0.9
368.31247	0.9
393.35141	12.2
394.35495	0.8
411.36227	0.4
421.34573	1.1
437.19553	0.8
439.35699	100.0
440.36072	4.1
478.19891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25066	1.0
70.25390	1.8
76.01353	0.9
77.31588	0.8
79.60428	0.9
84.40806	0.8
91.05451	1.4
104.08098	0.8
107.04955	1.1
111.00829	1.5
111.04435	1.6
115.05479	1.6
118.06539	19.4
119.04961	1.3
123.04422	21.1
123.05285	1.6
127.03911	47.0
130.06526	1.9
132.08098	5.6
135.04402	12.5
137.02377	1.3
139.03900	30.1
139.04976	1.7
141.79404	0.8
142.06548	1.8
143.07344	2.7
144.08089	14.4
146.06001	70.2
147.04420	3.9
147.06323	1.4
149.02377	2.1
149.06021	0.9
151.03894	6.8
153.41264	0.9
159.04448	0.9
159.09160	5.4
160.07613	0.9
161.06003	2.2
163.03899	16.8
165.05475	3.5
167.03427	2.3
170.06000	3.4
173.05888	1.2
175.03934	2.0
177.05496	1.1
179.03419	1.6
185.05772	1.0
187.03967	3.0
188.07060	100.0
189.07358	2.0
191.03366	4.4
193.05020	1.2
197.05901	1.1
201.05507	2.9
203.03433	3.0
203.07063	1.3
205.09720	33.6
215.07135	1.2
229.04980	3.1
233.04405	2.5
234.73119	0.9
243.06519	1.8
245.04448	2.8
247.05981	11.4
251.05522	1.6
257.04468	4.5
259.06000	4.3
261.07468	1.0
269.04483	1.7
271.05960	8.4
273.07526	1.4
275.05499	7.4
283.06012	2.4
287.05511	9.9
289.07031	23.3
289.10266	1.3
291.08591	24.0
299.05566	1.4
301.07141	6.6
303.08481	1.7
333.09821	1.7
409.09244	15.0
411.10712	2.6
427.10254	14.1
439.10059	1.0
453.11749	1.7
579.15173	5.3
591.61090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.3
64.98703	0.2
65.24428	0.2
65.89614	0.2
66.42996	0.2
67.05483	0.2
69.03413	0.2
69.45699	0.7
69.69016	0.2
70.06583	0.2
72.33663	0.2
76.41808	0.2
79.05479	0.9
81.07057	4.9
82.06559	0.2
84.08144	2.0
88.67241	0.2
89.69616	0.2
93.07040	0.6
95.08588	0.3
96.08122	0.8
97.08927	1.5
103.71829	0.2
105.07056	0.3
109.06520	2.0
109.08896	0.3
110.09663	1.6
114.55958	0.2
121.10120	0.3
122.09655	0.4
123.10436	0.3
132.39122	0.2
134.09714	0.2
136.11221	3.3
137.05978	5.8
138.12778	13.3
150.12769	1.8
151.13574	2.1
162.12808	0.5
164.14355	4.5
192.17540	0.3
236.16455	0.8
238.17986	0.4
248.22099	0.2
262.18048	3.4
274.17828	0.3
300.19516	1.9
328.22705	0.2
338.21130	0.2
346.23676	0.3
354.39099	0.2
356.22253	0.6
374.23251	100.0
375.23605	4.4
491.56741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38055	0.5
69.03435	2.6
70.06590	5.6
71.04988	2.2
79.05497	0.8
80.05021	0.6
84.08155	1.6
84.36018	0.5
93.07046	0.8
96.81898	0.5
99.04443	1.3
105.07035	0.8
107.08546	0.7
111.08096	2.2
120.08179	0.5
122.09718	1.4
129.10214	0.8
137.06023	0.8
139.07568	2.4
150.09134	0.8
151.45885	0.5
154.12338	0.7
163.07571	0.6
168.10179	1.0
179.14365	0.5
182.11765	1.3
195.13826	1.3
223.13264	1.1
318.20428	0.7
390.22568	3.7
391.23087	6.1
392.24277	100.0
393.24573	10.3
394.25040	6.7
395.25284	2.7
396.24982	1.2
492.84979	0.6
582.13708	0.5
704.46179	0.5
769.28387	0.6
783.40399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01565	0.5
55.01881	0.6
55.05521	1.9
56.62349	0.5
57.03446	2.5
57.07090	2.1
59.26349	0.6
61.02930	4.0
65.73489	0.6
67.05513	2.1
69.03444	1.9
69.07083	2.3
69.98066	1.8
71.01363	0.7
71.05001	0.9
71.08636	1.3
73.02921	2.2
79.05512	1.9
81.03412	2.8
81.07076	3.7
83.08645	1.7
85.02905	3.4
91.03987	2.2
91.05503	1.5
91.81936	0.7
93.07054	2.1
95.04996	2.2
95.08611	3.6
97.02914	2.7
97.10211	0.8
99.04472	0.9
101.02435	0.6
105.07087	1.3
107.08625	1.0
109.06545	1.2
111.08043	0.8
119.08610	0.9
121.10179	1.8
127.03966	1.1
130.37927	0.6
131.08572	0.9
133.10149	0.7
135.08083	1.0
135.11725	1.1
145.10236	0.6
149.09683	1.1
184.07408	1.9
193.12337	1.1
227.47694	0.6
243.08478	1.8
261.69199	0.7
267.15961	0.8
273.18341	0.8
283.15176	4.3
291.19644	2.6
299.54120	0.7
300.93060	0.6
313.27536	2.0
341.30331	0.6
501.23102	8.5
506.39154	1.7
523.32483	4.9
523.40240	2.2
603.46179	2.8
781.80695	0.7
783.48651	100.0
784.48779	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	784.245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.4
66.36686	0.1
69.21344	0.2
69.21751	0.5
73.43356	0.1
73.66495	0.1
75.10075	0.1
76.03128	0.3
77.03944	0.4
79.05488	0.2
87.27170	0.1
89.03891	1.0
91.05479	20.9
92.05816	0.2
95.04974	0.2
95.08604	0.2
98.23512	0.2
101.03896	0.3
101.72303	0.1
103.05470	0.5
105.03347	0.2
107.04955	0.4
108.05730	0.2
110.22343	0.1
117.03359	0.8
118.04156	0.5
119.04941	31.9
120.05299	0.4
121.02905	0.2
126.65068	0.1
129.03358	0.6
129.04338	0.1
131.04901	0.3
132.02051	1.6
133.02846	0.2
135.04424	1.3
136.05177	0.6
137.05835	0.1
145.02837	1.3
146.03694	0.2
147.04404	27.7
148.04823	0.3
149.02342	1.1
157.03976	3.9
160.01482	0.1
162.03104	0.3
163.03905	5.8
164.04692	1.1
174.03078	0.2
175.03902	50.3
176.04268	0.7
179.07005	2.6
187.58698	0.1
192.04195	0.3
207.06516	100.0
208.06866	1.2
319.07874	0.1
390.05093	0.1
543.14911	0.8
553.36151	0.2
584.93005	0.2
587.17078	0.4
751.25519	0.2
784.38281	0.4
784.87195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29037	0.2
56.05028	0.7
61.80904	0.2
69.07068	1.1
69.90322	0.4
70.06605	0.2
71.08627	0.8
81.22555	0.2
86.09702	100.0
87.10037	0.7
89.72659	0.2
91.05460	0.5
93.07008	0.3
98.09684	1.6
98.23447	0.3
103.05468	0.9
105.07020	1.6
110.09666	0.5
112.11237	7.2
114.09132	0.2
120.08099	42.4
121.06512	0.4
121.08434	0.5
121.97775	0.2
124.11301	0.2
132.08145	0.3
132.10223	0.3
142.41037	0.2
144.35829	0.2
146.09665	1.7
154.15895	18.4
157.13365	11.6
167.11868	0.2
182.15453	0.3
185.12843	14.4
188.14325	7.1
191.11885	0.4
199.18044	16.0
209.16493	0.6
216.13893	0.2
217.82008	0.2
219.11273	1.1
225.19609	6.4
227.17531	14.0
228.17947	0.3
233.16473	14.4
234.16907	0.3
235.18028	0.5
237.16002	0.5
243.15025	0.6
245.71599	0.2
253.19121	7.7
255.17029	0.4
259.17990	2.5
261.15976	14.8
263.17834	0.3
267.24289	7.1
277.22812	0.4
280.20197	0.4
287.17502	2.9
289.15530	0.3
295.23782	4.3
298.21243	7.2
298.24564	0.4
301.22720	7.6
302.23154	0.3
302.77161	0.2
311.21262	0.8
314.18649	0.2
322.25150	0.3
326.20798	0.3
327.37741	0.2
329.22177	4.6
332.19678	5.7
340.25940	2.6
356.23535	0.9
366.27478	1.8
368.25452	0.2
374.24420	3.7
383.30167	1.1
400.25937	3.3
402.24051	0.4
408.32220	0.6
411.29608	4.4
417.28625	0.9
425.35010	0.2
442.30624	2.0
445.28168	3.6
453.34558	0.8
459.33337	1.0
473.27188	0.4
479.36139	1.8
485.34753	0.5
487.33047	1.8
496.38403	0.9
513.34454	3.0
524.38116	4.0
525.38989	0.3
530.37012	2.4
552.78326	0.3
555.39069	1.5
558.36511	8.9
559.36578	0.3
572.41992	0.6
586.35651	0.4
592.44550	1.4
593.46100	0.2
598.43561	0.4
600.40985	1.5
609.47083	0.4
626.42694	5.8
627.43365	0.4
628.41199	0.3
637.46466	2.1
643.45428	4.1
644.45178	0.4
653.43988	0.9
668.47375	0.5
671.44873	16.3
672.45117	1.1
695.48450	0.2
699.43951	0.4
711.51373	0.3
713.49579	0.8
739.51111	3.7
740.51361	0.4
756.53735	7.8
757.53772	0.3
766.52173	2.3
784.38690	0.6
784.53217	12.5
785.53296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
65.03941	0.9
67.05498	1.2
69.03419	0.7
70.71754	0.6
79.05502	1.4
80.05021	0.8
81.03426	2.1
82.06590	0.9
85.02923	0.5
91.05495	1.3
92.05016	0.8
92.82645	0.4
93.05813	1.5
93.07067	1.3
94.06574	5.8
95.07349	1.1
95.08617	0.4
96.08154	2.3
97.02921	0.8
99.04540	0.4
103.05476	0.7
104.05031	0.5
105.04487	0.6
106.06583	0.9
107.07348	1.1
108.04496	1.6
108.08123	8.6
109.02892	0.6
110.09681	3.8
115.05437	0.5
116.04987	1.0
118.06557	1.5
120.04478	2.8
120.08105	7.4
122.06042	4.7
122.09649	2.7
124.07578	2.3
127.03959	0.9
132.04475	0.7
132.08055	0.6
134.05992	2.4
136.07581	8.8
138.05583	1.0
138.09143	5.9
143.07355	0.6
144.04485	1.7
144.08087	0.6
146.06023	8.1
148.07570	5.1
150.09116	2.5
158.09714	0.4
160.03958	3.2
160.07576	0.6
162.05536	1.6
164.07130	0.6
166.08649	4.2
167.07314	0.5
170.05920	0.6
172.03944	6.0
172.07639	0.8
174.05522	2.5
176.07121	1.1
182.09813	0.6
183.09232	0.7
184.07582	0.6
184.09953	1.1
186.05565	0.9
186.09317	0.7
188.07167	0.7
190.04976	6.7
193.54521	0.5
197.07094	0.5
197.10799	1.5
198.11545	0.7
199.08777	0.5
199.12401	2.1
204.06607	1.2
206.08237	0.6
207.09236	0.5
209.10696	1.0
210.09326	0.9
210.11356	0.5
211.08727	1.6
211.12349	1.2
212.09418	1.1
213.10284	0.7
223.08766	0.6
223.12350	1.0
224.09531	1.3
225.10242	5.1
226.10968	1.4
227.08315	0.5
227.11772	12.3
233.10721	0.5
235.08827	0.8
236.09459	1.2
237.10216	3.8
238.11101	1.6
239.11732	2.7
240.12634	0.8
241.09821	0.8
241.13553	1.2
245.13020	1.0
249.10295	1.5
250.11101	0.6
251.08287	0.6
251.09590	0.5
251.11835	3.4
252.08943	0.6
253.09737	4.0
253.13478	1.0
255.11282	2.3
257.12897	0.9
263.08221	1.7
263.11765	0.9
264.08990	1.2
265.09680	3.1
266.10437	0.5
267.11240	3.2
269.12869	3.9
271.10828	3.3
273.12402	1.4
275.11780	0.6
277.09702	2.4
279.11273	6.5
281.13010	1.2
283.10910	1.4
284.11478	0.5
285.12445	1.9
288.15112	0.4
293.09320	0.6
293.12769	0.5
295.10739	1.5
297.12308	3.3
298.13589	0.6
299.14084	1.2
301.12537	0.7
302.13000	1.1
305.09161	0.7
307.10593	2.4
309.12549	0.7
311.14227	0.5
312.15179	0.8
313.12939	1.4
314.13019	1.4
315.14017	0.7
316.14682	1.0
317.15268	0.6
321.12479	1.1
323.10458	1.0
325.11780	3.6
326.12906	0.8
326.16583	1.0
327.13956	1.1
328.10785	1.7
328.14600	1.5
329.11734	1.9
329.15302	0.9
330.12442	1.5
330.16122	2.2
331.16879	1.0
335.14087	0.5
337.11932	0.5
339.13470	1.9
340.14694	1.1
341.11661	0.9
341.15506	0.8
342.12479	4.8
342.16074	1.2
343.13138	3.5
343.16745	0.4
344.13925	1.5
344.17740	0.6
345.14667	0.6
346.15619	0.5
351.13867	0.7
352.14682	1.2
353.15512	0.5
354.12256	0.7
354.16153	1.9
355.13339	1.8
355.17133	0.9
356.14072	4.1
356.17874	0.5
357.14716	1.1
358.15506	5.3
358.19183	0.6
359.16394	0.7
365.15356	0.6
366.16016	0.8
367.13040	0.5
368.13797	0.9
368.17789	1.0
369.14639	1.0
370.11676	0.8
370.15717	3.8
371.16467	0.7
372.17279	1.7
380.13925	0.7
382.11890	1.6
383.12582	1.0
384.13504	1.5
384.17685	0.8
385.14069	1.1
386.14771	2.6
386.19406	0.6
387.16043	0.5
388.16486	0.8
394.15503	1.5
396.17297	0.7
398.15009	11.0
399.15836	5.4
400.16827	2.0
404.16321	1.6
412.16696	1.7
414.18280	1.6
416.15732	3.0
417.17188	1.4
418.17645	0.6
422.15063	1.0
423.15546	0.5
428.15924	1.0
429.16412	0.7
430.17603	0.9
440.15848	2.9
441.16974	0.6
446.17172	0.6
458.16745	2.4
459.17892	0.8
460.18066	0.6
467.14374	0.5
472.19177	0.9
475.26794	0.6
500.18127	1.2
505.22580	0.6
512.17871	0.5
523.23761	0.5
532.21033	0.8
533.22003	0.6
534.22638	1.1
542.19562	1.2
548.20416	1.3
551.23145	0.6
554.19501	0.8
560.20325	5.0
566.19446	0.9
569.23566	0.7
572.20313	1.3
584.20532	1.5
586.21216	0.5
590.21442	1.4
593.24164	0.9
602.21332	4.6
653.26178	1.0
665.76233	0.5
673.26306	0.6
677.25751	0.6
685.28705	0.7
691.27661	0.6
695.27063	0.6
697.28210	0.5
709.29303	1.2
711.30151	3.8
713.28082	5.8
714.28217	0.6
719.27081	1.7
727.29468	2.9
737.27728	4.2
738.28912	0.7
755.29193	100.0
756.29510	6.0
787.31378	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	787.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04733	0.6
55.05505	0.9
65.03964	0.7
67.05510	1.7
69.03442	1.6
69.07066	1.2
70.06590	1.1
70.25827	0.7
70.26147	1.2
73.02927	0.8
79.05512	2.9
81.03414	3.9
81.07068	2.1
85.02919	1.9
91.05499	2.5
93.03393	0.7
93.05806	0.9
93.07053	2.8
94.06567	4.5
95.04996	1.8
95.08621	1.6
96.08153	1.8
97.02917	1.3
97.06577	1.0
99.91558	0.7
105.07044	1.1
106.06631	1.1
107.07326	1.0
107.08610	0.9
108.04491	1.8
108.08120	7.7
109.02894	0.8
109.06492	0.6
109.10155	1.0
110.09714	2.6
116.05002	1.3
118.06524	1.3
119.08602	1.0
120.04494	2.5
120.08129	5.7
121.10148	1.2
122.06030	4.8
122.09692	2.1
123.08132	0.9
123.11767	0.6
124.07559	1.5
127.03974	1.0
131.08615	0.7
134.06049	2.2
136.07578	7.8
138.05496	0.8
138.09125	4.3
144.04485	1.8
145.10130	0.8
146.06006	6.2
148.07608	4.3
150.09215	1.9
152.07077	1.4
157.10155	0.9
160.03952	2.0
162.05486	1.1
164.07132	1.1
165.09167	0.8
166.08667	3.9
167.07120	1.3
172.03922	7.5
174.05516	3.1
176.07042	1.1
178.05083	0.7
182.09741	1.2
184.10049	1.4
190.04990	5.3
197.10838	1.1
199.12367	3.9
201.65308	0.6
204.06534	5.1
209.10808	0.9
210.09256	1.0
211.08710	0.9
211.12422	1.2
212.09476	1.5
213.10396	0.8
223.08624	1.5
223.12361	1.5
224.09471	0.9
225.10175	5.3
226.10822	0.8
227.11777	16.0
236.09314	1.1
237.10420	2.1
238.10947	1.4
239.11852	2.7
241.13382	1.2
245.12921	0.8
249.10406	0.8
250.10997	1.0
251.08458	0.6
251.11717	3.4
252.08977	0.7
252.12788	0.8
253.09645	3.4
253.13470	1.2
255.11351	2.4
257.12955	1.0
263.08258	1.5
264.08997	1.3
265.09869	2.1
267.11337	3.2
269.12781	3.1
271.10858	2.6
273.12399	1.6
277.09778	1.7
278.10495	1.0
279.11331	5.9
280.11975	0.8
281.12936	1.0
283.10834	1.1
285.12476	1.9
287.14056	1.5
288.53641	0.7
295.10788	1.1
297.12344	3.3
299.14166	1.3
305.09106	0.9
307.10934	2.1
314.12994	1.3
315.13876	0.9
316.14514	1.5
321.12332	0.9
325.11758	4.8
326.16559	1.0
327.13840	0.8
328.10733	1.9
328.14462	1.3
329.11646	1.3
329.15164	1.7
330.16132	1.4
339.13519	1.4
341.15607	0.9
342.12402	4.1
342.16025	0.8
343.13342	3.1
344.14053	1.6
354.16196	1.1
355.13257	1.6
356.14154	2.7
357.14804	2.1
358.15594	3.7
366.16141	0.8
369.14554	0.8
370.15527	2.6
372.17038	1.3
380.14053	0.9
382.11789	1.5
384.13281	1.5
385.14020	0.7
386.15121	2.9
387.15567	0.9
388.21432	1.7
394.15585	1.3
395.16058	1.3
398.15024	9.0
399.15878	4.9
400.16632	1.6
404.15955	1.1
412.16669	1.3
413.17102	1.6
414.18317	0.9
416.16086	2.6
417.16885	1.9
425.13193	0.7
428.16150	1.1
430.17883	0.7
439.14764	0.9
440.16327	1.9
446.17346	0.9
458.16977	1.9
467.15009	0.8
472.18698	0.8
496.19351	0.9
534.22614	1.1
556.97455	0.7
560.20032	3.9
566.19080	1.1
584.20807	1.4
590.21252	1.9
593.23853	1.1
594.24329	0.8
602.21222	3.1
653.26288	1.0
658.48431	0.9
685.29010	0.9
709.28363	1.1
711.30341	3.3
713.28143	4.3
719.27692	1.7
727.29279	3.7
737.28149	4.7
743.38751	1.1
755.29187	100.0
756.29425	6.9
786.40326	0.8
786.53644	10.2
787.32611	8.8
787.52264	6.8
788.34406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.2
71.46616	1.1
79.05544	1.0
81.07072	3.0
82.27974	0.8
88.28345	0.9
93.07036	1.7
95.08611	3.9
105.07030	1.8
107.08617	1.5
109.10151	1.6
119.08556	1.3
121.02882	0.9
133.10136	1.3
155.03166	2.2
163.00052	2.1
173.04211	55.1
181.01089	1.9
199.02109	6.8
201.16411	2.1
214.06847	1.4
215.17944	0.9
217.03284	3.7
254.16338	0.9
289.40662	0.9
331.06339	58.3
349.07568	2.8
354.31476	1.0
617.26056	1.1
782.69531	0.9
787.42297	100.0
788.43317	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	788.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	16.7
55.05510	39.5
57.03437	35.8
57.07079	4.0
61.02908	3.4
65.03952	8.8
67.05160	6.6
67.05506	86.4
69.03439	15.8
69.07064	39.3
71.04988	19.7
73.02922	4.9
75.14442	2.4
77.03913	3.5
77.31516	2.8
79.05497	83.7
81.03418	60.1
81.06580	4.3
81.07056	91.0
83.01328	3.9
83.04987	22.6
83.08630	27.5
85.02904	24.0
85.06540	8.5
91.05479	82.2
93.07047	100.0
95.01319	2.6
95.04967	53.4
95.08613	65.6
97.02896	9.8
97.06526	62.3
97.10175	10.9
99.04465	10.1
99.08109	6.2
103.05475	6.2
105.04496	3.5
105.07030	61.6
107.04961	35.5
107.08591	55.5
109.02892	4.2
109.06520	34.4
109.10151	25.1
111.04453	13.7
111.08068	23.0
113.06011	10.0
115.05455	6.8
115.07588	11.0
117.07015	24.1
119.04917	2.9
119.08593	49.1
121.06488	19.2
121.10158	33.8
123.04462	7.3
123.08084	19.5
123.11693	4.2
125.06020	6.3
125.09678	4.6
127.07545	5.4
128.06201	5.7
129.07018	16.6
130.07796	4.7
131.08569	34.3
133.06499	10.5
133.10143	38.4
135.08051	21.2
135.11693	52.5
137.06006	4.0
137.09608	5.7
139.07602	3.4
141.06972	4.7
142.07802	4.1
143.08586	5.0
145.06520	9.3
145.10127	44.4
147.08054	12.6
147.11711	19.0
149.09613	15.0
149.13283	4.6
151.07561	3.8
151.11217	10.6
155.08543	3.2
157.10126	17.0
159.08104	13.6
159.11746	9.4
161.09625	12.0
163.07532	5.3
163.11179	59.8
165.09134	5.4
165.12724	3.1
169.10095	4.8
171.11717	7.1
173.09668	10.3
173.13197	3.5
175.11223	11.5
177.09067	4.5
177.12743	8.6
181.12251	9.0
185.13260	3.7
187.11264	5.4
187.14798	3.4
189.11208	6.8
189.12874	2.7
191.10674	3.3
193.12280	28.3
194.11761	23.4
195.11981	2.5
195.13818	4.0
199.11200	3.0
201.12766	2.5
204.13885	12.8
209.11739	4.5
211.13243	29.1
215.14339	4.7
217.15910	6.8
219.13780	3.7
221.11714	3.8
221.15422	3.3
223.13254	4.0
227.12767	71.3
227.17856	4.1
232.17044	5.1
233.15378	12.5
241.14333	6.0
245.19141	3.9
250.18144	3.3
251.12939	3.8
253.14154	13.0
260.16504	4.3
261.18509	11.2
267.15903	22.7
269.17477	14.8
271.17276	14.8
273.18451	33.6
278.17477	8.0
279.15939	7.6
283.15375	66.6
285.16959	43.4
289.17972	48.8
291.19513	22.3
307.19012	27.0
325.19833	3.5
345.20663	5.3
347.22208	17.2
363.21729	22.3
365.23209	16.3
381.22665	23.4
383.24011	3.7
383.88333	3.5
388.97177	2.7
463.27231	5.6
472.23270	16.0
477.28467	31.8
515.24805	45.6
515.31061	3.7
516.25244	3.5
537.31909	4.0
555.33240	37.8
573.34259	79.8
574.33954	3.7
591.35327	50.8
703.43390	2.8
771.37793	4.0
788.36609	8.4
789.38470	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	788.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	20.7
55.05516	44.2
57.03444	20.7
57.07073	3.3
59.04995	4.3
59.06221	1.9
61.02927	7.4
65.03963	2.9
66.35213	1.9
67.05509	62.8
68.49664	2.0
69.03439	13.2
69.07072	28.0
69.13070	12.5
71.04997	13.4
73.02919	4.3
77.03927	2.1
79.05497	62.7
79.05949	3.3
81.03423	36.9
81.07063	81.0
83.01363	8.3
83.04984	23.7
83.08625	26.5
85.02910	14.1
85.06539	6.0
88.07635	2.9
91.03985	3.8
91.05488	52.0
93.07051	66.8
95.01339	2.7
95.04977	31.8
95.08611	27.1
97.02876	9.3
97.06534	30.2
97.10178	20.9
99.04471	5.0
99.08122	4.6
103.05485	3.0
105.04525	4.6
105.07042	40.7
106.08653	2.0
107.04964	26.5
107.08601	38.9
109.02887	3.7
109.06522	31.5
109.10152	17.1
111.04441	12.7
111.08092	13.1
113.06001	4.9
115.05465	3.8
115.07603	6.8
117.07029	25.7
119.04915	2.8
119.08585	33.5
120.08883	2.2
121.06499	13.6
121.10155	21.7
123.08076	21.9
123.11755	3.7
123.56219	1.9
125.06025	5.5
125.09622	17.0
127.03886	5.0
128.06244	3.7
129.07018	12.8
130.07823	3.0
131.04918	2.1
131.08577	26.9
133.06419	4.3
133.10124	20.9
135.04341	2.3
135.08057	19.0
135.11679	21.2
137.05925	2.4
137.09636	4.6
139.07568	3.2
141.07051	2.7
142.07791	2.4
143.08578	8.4
145.06494	3.6
145.10138	30.7
147.08041	10.6
147.11726	10.9
149.09583	10.5
149.13222	2.7
151.07512	2.3
151.11183	5.1
153.09088	4.0
153.12753	5.3
155.08533	4.8
157.10170	8.2
159.08072	6.7
159.11691	7.7
161.09589	12.5
162.12781	3.0
163.11195	36.9
165.09155	4.6
169.10143	2.8
171.11711	5.0
173.09650	5.3
173.13274	2.4
175.11194	6.8
177.12808	5.2
181.12265	6.9
183.11668	2.2
187.11279	3.2
189.11234	10.4
191.10655	7.1
193.12273	8.8
197.13239	2.5
204.13866	4.8
209.11731	10.0
211.13321	6.5
217.15910	5.0
221.15367	2.0
223.13277	2.7
227.12775	31.3
227.18158	2.6
231.13873	2.6
233.15305	2.1
245.19083	4.1
253.14233	2.3
255.17413	5.5
260.16562	2.2
261.18774	1.9
267.16013	7.1
269.17532	5.7
271.17010	2.1
273.18503	46.1
274.27451	20.7
275.20059	2.7
279.16000	3.1
283.15411	100.0
284.15857	2.5
285.16803	4.3
289.18015	7.3
291.19550	58.6
299.14935	7.0
307.18863	2.8
309.20599	6.2
311.20282	2.4
347.22198	18.0
349.23816	4.0
363.21664	4.9
365.23254	30.7
381.22153	2.4
383.24329	11.7
453.24948	4.5
477.28223	10.6
493.28220	3.6
499.30225	2.6
505.28134	8.5
515.24493	2.9
537.32031	3.9
555.33203	37.6
573.34229	78.0
574.34784	5.5
591.35266	39.8
788.38367	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	788.443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.3
55.05510	20.9
57.03438	14.0
57.07080	0.9
59.05000	4.5
59.52771	0.9
61.02921	1.9
65.03939	1.5
67.05504	28.2
69.03436	4.9
69.07065	8.4
71.05003	6.2
73.02929	1.6
76.26598	0.8
79.05494	31.7
81.03417	50.0
81.07056	30.5
83.01340	5.9
83.04985	19.0
83.08618	25.8
84.02148	0.9
85.02901	19.3
85.06550	2.4
87.04451	1.5
91.05481	29.7
93.07043	28.6
95.04969	25.0
95.08607	14.0
97.02890	6.7
97.06522	8.3
97.10175	8.6
98.06111	0.8
98.07298	1.2
99.04458	2.6
99.05515	0.9
99.08125	1.5
101.14608	0.9
105.04525	1.4
105.07024	19.4
107.04945	10.8
107.08599	17.1
109.02904	0.9
109.06532	8.0
109.10150	6.4
111.04445	9.1
111.08081	9.3
113.06020	2.4
115.03900	1.0
115.05455	0.8
117.07021	9.1
119.08579	21.4
121.06503	4.5
121.10151	12.1
123.08081	7.4
123.11677	1.6
124.87196	0.8
125.05984	1.6
125.09643	6.6
127.03899	1.2
128.06155	1.0
129.07013	8.5
130.07846	1.0
131.08572	12.2
133.06485	3.9
133.10121	9.4
135.08070	6.0
135.11693	10.8
137.06032	1.0
137.09666	4.7
142.07817	2.1
143.08615	3.1
145.06494	2.5
145.10132	13.4
147.08037	6.2
147.11679	9.2
149.05991	0.9
149.09616	6.2
151.11188	1.0
153.12749	4.6
155.08574	2.1
157.10129	10.2
159.08075	5.3
163.07494	2.2
163.11176	22.0
165.12695	1.8
173.09593	4.3
173.13329	0.9
175.09802	1.4
175.11189	10.6
181.12180	3.7
189.11299	2.0
191.10687	2.8
193.12242	30.4
209.11729	8.3
211.11406	1.5
211.13277	37.9
227.12764	10.5
229.14326	1.8
252.57315	1.0
261.18478	1.9
267.15894	21.5
271.16943	4.3
273.18369	1.2
278.17630	1.0
283.12231	1.1
283.15363	27.5
285.16953	45.5
289.17960	10.2
291.19092	0.9
294.75284	0.9
307.19019	6.4
327.70209	0.8
342.24231	1.1
345.20663	1.6
363.21713	5.3
381.17838	1.3
381.22696	23.4
383.22253	1.5
388.21204	3.2
389.21512	1.2
401.23175	1.0
457.26047	4.1
475.26907	24.9
477.83591	0.8
493.27960	100.0
494.28308	4.1
495.46246	1.0
537.31958	1.4
555.33282	8.1
573.34216	16.7
591.35229	34.0
592.35040	1.6
788.37732	2.6
789.38049	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	19.1
55.05515	37.5
55.09330	1.9
57.03440	32.2
57.07074	3.8
59.05001	3.6
61.02920	8.9
62.27967	1.8
62.60427	1.8
65.03938	7.1
67.05508	80.5
67.05864	4.5
69.03431	22.3
69.06709	4.1
69.07070	60.0
69.36633	9.6
71.04996	27.8
73.02907	5.8
77.03924	2.6
79.05498	86.3
81.03418	47.0
81.07057	78.1
83.01347	10.4
83.04986	32.4
83.08615	26.5
84.60168	1.7
85.02903	18.4
85.06541	7.4
91.03961	2.0
91.05481	68.8
93.07047	82.9
95.04974	31.3
95.08604	33.1
97.02905	18.0
97.06535	100.0
97.10163	6.2
99.04460	8.0
99.08094	6.8
103.03843	1.8
103.05470	4.3
105.04523	6.2
105.07030	50.6
107.04962	25.9
107.08597	44.9
108.43753	1.9
109.02878	5.2
109.06528	26.2
109.10143	20.7
111.04440	7.9
111.08068	14.8
113.06039	4.1
115.05466	5.9
115.07583	30.3
116.06295	2.2
117.07027	29.7
119.08580	29.8
121.06516	13.5
121.10143	24.9
123.04377	3.3
123.08069	16.8
123.11730	4.1
125.09614	6.0
127.03912	6.9
127.07555	2.7
128.06198	3.5
129.07011	12.2
130.07820	2.1
131.04900	2.3
131.08557	30.3
133.06488	6.5
133.10127	37.5
135.08069	15.5
135.11716	17.5
137.06000	2.9
137.09627	6.1
137.41226	2.0
139.07533	2.9
141.06990	2.4
143.08577	13.2
145.06496	4.4
145.10118	35.7
147.08054	8.2
147.11685	11.2
149.06050	1.7
149.09654	9.7
149.13295	5.6
151.11209	10.0
153.12744	5.5
155.08577	4.0
157.10141	12.9
159.08080	7.9
159.11690	11.5
161.09642	12.0
161.13332	2.2
163.11197	33.4
165.09093	3.3
165.12730	2.7
167.77791	1.9
169.10115	3.6
171.11699	6.9
173.04459	7.5
173.09679	9.6
173.13359	3.9
175.11185	10.3
177.09093	3.9
177.12732	5.6
179.10707	3.1
181.12201	3.7
183.11705	3.1
185.13260	5.2
187.11214	4.0
189.11256	2.7
191.10686	6.3
193.12270	10.8
195.13759	4.7
199.14931	3.2
201.07628	2.6
201.12756	3.5
204.13716	2.6
209.11749	7.7
211.11404	1.9
211.13220	10.7
215.14464	2.1
217.15894	10.8
220.78905	2.0
221.15363	2.7
227.12753	11.7
227.17836	3.0
233.15431	5.1
237.16408	2.5
245.19081	3.6
253.14203	11.1
255.17549	2.5
261.18472	2.5
267.15955	6.8
269.17432	20.0
271.17123	3.9
273.18497	32.1
274.27460	4.2
275.19965	3.8
283.15414	87.6
285.16943	6.7
289.17935	11.5
291.19528	19.6
299.14883	6.2
307.19000	7.1
309.20612	2.2
329.21152	2.7
339.18118	4.1
347.22202	12.9
349.23941	2.7
363.21786	4.1
365.23297	13.7
381.22696	7.6
383.24130	2.9
459.27405	4.4
463.27600	5.6
477.28519	38.0
479.26334	7.1
481.28821	3.1
493.27759	4.2
505.27750	3.5
515.30066	7.3
533.30536	3.1
555.33014	19.8
573.34247	32.2
591.35236	22.6
735.39343	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	788.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	14.2
55.05258	2.2
55.05518	36.4
57.03441	19.3
57.07073	2.7
59.05003	4.9
59.41158	1.5
59.43987	1.4
60.57088	1.3
61.02582	1.5
61.02917	5.3
65.03934	2.1
67.05513	57.2
68.05849	2.1
69.03452	9.8
69.07079	28.9
69.44106	8.0
71.01365	2.3
71.04986	6.1
72.73810	1.5
73.02925	2.8
77.03913	1.6
79.05502	51.4
81.03425	20.5
81.07065	67.8
83.04998	12.3
83.08631	26.3
85.02905	7.5
85.06556	4.1
91.05489	61.5
91.06066	3.3
93.07055	52.5
95.04990	16.9
95.08617	27.1
97.02923	10.0
97.06547	15.9
97.10178	19.2
99.00832	22.2
99.04469	3.0
99.08104	2.5
103.05462	3.0
105.04530	2.6
105.07037	48.1
107.04966	16.9
107.08610	42.4
109.02876	14.4
109.06522	10.6
109.10186	16.8
111.04453	3.2
111.08095	10.0
111.59568	1.6
115.03937	3.6
115.05475	2.3
117.07049	18.3
119.08585	30.6
121.02905	1.9
121.06519	14.5
121.10148	10.5
123.04459	2.7
123.08067	3.2
123.11732	4.2
125.09644	15.3
127.03951	7.5
128.06256	3.1
129.06990	7.7
131.08574	16.9
133.06483	3.9
133.10143	60.3
135.08040	7.7
135.11700	13.5
137.06010	1.8
137.09637	4.6
139.07553	5.2
141.07007	2.1
143.08594	9.0
143.10837	1.8
145.06476	1.7
145.10138	16.7
146.07330	1.8
146.10606	1.8
146.24638	1.7
147.08076	3.6
147.11703	8.9
149.05994	2.1
149.09608	14.0
149.13260	4.5
151.11220	18.1
155.08630	2.3
157.10120	5.2
159.08089	1.9
159.11729	8.7
161.09637	25.8
161.13321	3.0
163.11171	10.9
165.09129	3.1
171.08069	4.8
171.10272	1.8
171.11722	3.7
173.09618	2.2
173.13277	7.0
175.11205	3.4
177.12813	2.6
179.10692	12.4
179.14307	4.2
183.11748	2.5
185.13176	1.9
189.09154	11.6
189.11040	9.4
189.12723	2.1
193.12285	3.2
195.13832	3.1
197.11803	4.5
207.10165	3.8
211.13281	5.3
225.11264	17.7
226.29655	1.5
227.12798	30.8
229.14311	2.4
229.19434	1.7
239.18030	3.2
243.12354	4.2
247.20558	3.0
255.15857	3.0
257.19046	8.9
267.16025	4.0
269.17496	11.9
275.20093	43.6
275.22934	3.2
281.13776	8.6
283.15457	3.3
285.17041	6.2
289.17920	2.9
291.19464	2.8
293.21201	4.3
299.14929	100.0
300.15338	3.2
321.23959	1.6
331.22650	3.5
349.23779	42.2
349.28262	2.0
367.24701	2.3
395.20633	3.4
419.24789	2.0
453.25153	3.6
469.24475	10.2
477.28244	2.9
479.25967	10.5
481.29254	1.6
493.28012	53.3
494.28195	2.9
536.11493	1.6
555.33118	6.5
559.35571	2.4
573.25336	3.3
573.34277	66.0
574.34814	3.0
591.35278	12.4
613.28265	2.3
637.32465	2.4
643.72784	1.5
789.36487	2.5
791.61224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
65.03936	1.2
67.05501	2.1
69.02303	0.6
69.02625	0.6
69.03429	2.6
69.07035	0.6
69.16161	2.9
71.05001	0.6
79.05479	2.6
80.05016	1.2
81.03410	3.3
81.05822	0.7
81.07083	1.3
82.06548	0.8
85.02915	1.8
91.05488	2.1
93.05800	2.0
93.07052	3.5
94.06567	8.7
95.04977	2.5
95.07346	3.1
95.08604	0.6
96.08121	6.0
97.02908	1.8
97.06539	1.4
98.22713	1.5
103.05499	1.3
105.04504	0.9
105.07054	1.2
106.06571	2.4
107.07348	2.3
108.04483	1.7
108.08116	19.3
109.02899	1.4
109.10185	1.1
110.09674	9.2
116.04999	1.1
118.06563	1.5
119.08595	1.0
120.04487	2.1
120.08102	15.3
121.08893	0.7
122.06025	14.6
122.09659	7.2
124.07574	3.8
125.43217	0.6
127.03941	0.9
132.04475	0.6
132.08125	2.4
134.05981	2.9
134.09659	1.5
136.07573	30.0
136.11179	0.6
138.05476	1.5
138.09137	18.2
144.04485	1.7
144.08080	0.9
146.06006	6.5
146.09651	0.7
148.07564	15.3
150.05530	1.1
150.09140	7.0
152.07062	9.7
154.08633	0.9
156.08075	0.6
158.06032	0.9
158.09645	0.8
160.03993	2.0
160.07547	4.0
162.05548	2.4
162.09184	2.1
163.11110	0.6
164.07054	3.7
166.08624	18.9
172.03944	9.8
174.05484	2.9
174.09160	1.2
176.07104	2.4
178.05127	0.7
178.08571	0.8
180.10251	1.6
182.08276	0.6
182.09702	1.1
184.09906	0.6
185.10950	0.5
186.05504	0.7
188.07039	1.3
190.04993	6.1
194.08199	1.5
196.09859	0.7
197.10805	1.7
198.09706	0.6
198.11388	2.7
199.08676	0.9
199.12320	1.4
200.07005	0.7
204.06573	7.4
206.08118	0.8
208.09755	1.3
209.10794	1.6
210.09264	0.7
210.11600	1.8
211.12263	7.1
212.09387	1.1
212.13174	2.1
213.10332	2.9
213.13805	0.9
214.08733	0.9
218.08128	0.8
220.09962	0.9
221.10783	1.5
222.11522	1.2
223.08784	1.5
223.12218	5.0
224.09431	1.3
224.13062	1.2
225.10217	8.9
225.13855	2.5
226.10963	4.0
226.14444	0.8
227.11743	8.1
229.13504	1.2
232.09819	1.2
233.10818	0.8
234.11589	0.7
235.08775	2.0
235.12415	2.4
236.09273	1.1
237.10233	10.3
237.13881	1.4
238.10956	6.4
239.11777	20.4
240.12550	5.6
241.09688	0.8
241.13289	4.2
246.11366	0.9
247.08670	0.6
248.09465	1.8
249.10182	7.5
249.14061	0.7
250.10966	5.8
251.08049	1.6
251.11797	26.0
252.09045	1.9
252.12538	7.5
253.09756	3.8
253.13341	10.5
254.10498	0.6
254.14204	1.6
255.11276	4.9
256.11905	0.7
257.12872	0.8
259.14499	0.7
261.10309	1.3
262.11136	2.3
263.08618	1.3
263.11777	18.0
264.09006	2.2
264.12524	4.7
264.42819	0.7
265.09808	10.0
265.13437	10.5
266.10501	7.0
266.13940	4.8
267.11282	21.0
267.14670	1.5
268.12079	2.6
269.12802	4.2
271.10849	2.1
271.14526	1.7
273.12500	2.2
274.11032	1.0
275.11826	1.8
276.12616	0.9
277.09839	5.5
277.13446	3.4
278.10468	5.3
278.13803	0.7
279.11270	34.1
280.11935	7.6
281.09659	0.8
281.12802	11.7
281.15891	0.6
282.13239	0.7
283.10818	2.1
283.14294	1.3
284.11710	1.3
285.12360	14.3
287.14081	0.9
289.09796	0.7
289.12799	0.6
290.10410	0.9
291.11270	13.2
292.11862	3.7
293.09448	1.5
293.12766	9.8
294.10132	0.8
294.13589	1.5
295.10870	3.6
295.14584	2.4
296.11548	2.5
297.12350	17.9
298.13049	2.3
299.13925	6.3
303.11133	0.8
304.12000	0.7
305.09293	1.1
305.12878	1.8
307.10806	5.9
307.14166	0.9
308.11444	0.9
309.12283	7.5
309.15475	0.8
310.12891	4.0
311.10471	1.6
311.13849	26.8
312.14462	1.5
313.12057	1.1
313.15463	1.3
315.13763	0.9
316.14420	1.2
319.10718	9.6
319.14090	1.0
320.11121	0.8
321.12305	8.9
322.12881	2.8
323.10355	5.2
323.13992	2.7
324.11209	0.8
325.11908	4.9
325.15451	1.0
326.12860	1.1
327.13544	4.5
328.14551	1.7
329.15103	1.7
330.16193	2.1
331.16693	0.9
332.17828	1.1
333.12314	1.1
335.13959	0.6
337.11874	3.6
338.12610	1.5
339.13318	8.1
340.14264	1.6
341.15125	2.3
342.16040	1.3
343.16968	1.2
344.17728	2.4
346.15479	0.7
346.19144	1.3
349.12341	0.7
351.13553	2.4
353.15009	3.2
354.16095	0.8
355.13077	2.4
355.16980	1.0
356.13971	1.9
356.17761	1.1
357.14539	2.3
358.15329	2.7
358.19336	1.9
360.17047	1.4
363.13623	2.2
365.11285	1.6
365.15329	1.2
367.12930	1.6
367.17026	0.9
368.13828	1.2
369.14447	3.6
370.15616	2.5
371.16248	1.7
372.17059	3.1
373.17700	1.2
374.18729	1.2
376.20688	0.8
377.15207	0.7
379.13031	2.5
381.14410	3.6
382.15625	1.7
383.16098	2.9
384.17288	1.7
386.14563	1.1
386.19031	3.4
387.15726	1.0
388.16409	1.1
388.20996	3.2
390.18079	1.1
393.14398	2.7
394.15442	1.0
395.16287	2.1
396.16812	1.0
397.13678	0.8
397.18115	0.7
398.14719	1.1
399.15552	2.6
400.16287	5.5
400.20715	0.6
401.16977	1.6
402.18253	2.2
402.22839	0.7
404.19839	3.2
405.14517	0.9
407.16406	1.1
409.14035	1.1
410.14807	0.8
411.15524	8.9
412.16312	4.1
413.17291	2.0
414.18225	2.2
416.20001	0.8
417.14478	1.2
418.21567	3.1
421.13834	1.1
422.20993	0.7
423.15356	3.4
424.16693	1.7
425.17126	1.2
426.18231	1.2
427.15103	1.8
428.15134	1.1
428.20010	1.6
429.16522	9.0
430.17416	5.5
431.18390	1.6
432.18884	2.7
435.15405	4.5
437.17432	1.1
439.14807	3.4
441.16574	7.8
442.17444	2.9
443.18280	1.6
444.19147	1.7
446.20770	5.9
448.18707	1.3
450.20337	2.6
451.15091	1.4
453.16577	8.2
454.17798	0.8
455.18222	0.7
456.19302	1.0
457.16003	1.2
458.16675	1.1
459.17603	3.9
460.18753	1.2
462.20377	0.7
463.14774	2.7
465.16571	1.4
467.14093	2.7
469.16122	3.7
471.17642	12.7
472.18393	3.1
474.20261	1.4
481.16061	12.6
482.16327	1.0
483.17758	1.4
492.21024	0.8
499.17001	2.6
502.19611	1.0
504.21436	1.0
506.22629	1.0
516.21606	1.5
518.22498	1.3
530.22943	1.3
532.20398	1.4
534.22498	1.1
544.21521	1.0
546.22650	1.6
548.24365	1.2
550.21729	1.0
556.20569	2.7
558.22687	1.7
562.22217	2.3
566.25256	3.2
568.20667	1.3
570.22638	1.1
574.21533	4.8
575.22321	0.8
576.23431	1.9
577.24176	1.4
578.25037	4.7
580.22723	2.9
586.21790	2.9
588.23157	1.4
590.24835	2.1
591.22638	2.1
592.22809	5.3
593.23669	28.5
594.24414	21.8
595.25305	3.1
598.22241	1.2
604.22791	3.8
606.24353	27.7
607.24835	3.3
616.22687	2.8
618.24359	9.8
620.22339	17.7
621.23138	13.2
622.23853	10.5
630.24823	0.8
634.23907	67.2
635.24469	10.7
636.25214	4.5
652.24762	3.3
655.27551	1.4
666.26550	52.4
667.27167	12.0
668.27625	1.9
675.28223	1.7
693.29034	1.8
703.27075	2.7
711.29547	3.2
721.28534	5.7
729.31024	4.3
739.16907	1.2
739.29706	17.7
740.30151	1.3
757.30713	100.0
758.31061	7.0
789.32770	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	789.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99029	1.3
64.55706	1.2
66.04765	1.0
67.05508	2.8
69.03435	1.7
73.02879	1.4
79.05490	3.6
80.63812	1.1
81.03416	3.4
81.07054	1.3
83.37494	1.2
85.02899	2.4
90.32854	1.2
90.53167	1.2
91.05484	3.5
93.05762	2.7
93.07040	3.6
93.63778	1.4
94.06577	7.3
95.04959	1.4
95.07371	2.4
96.08129	5.3
97.02911	1.9
101.99091	1.3
104.38450	1.3
105.07066	1.3
106.06602	3.2
107.07363	2.8
108.04469	1.7
108.08128	19.0
109.02849	2.3
110.09681	9.6
112.54008	1.3
116.04914	1.4
118.06516	1.5
120.04466	3.5
120.08113	12.3
122.06039	16.0
122.09669	6.2
124.07614	2.5
134.05995	2.8
134.09682	1.7
136.07581	31.1
138.09140	18.2
144.04430	1.4
146.06012	7.0
148.07582	14.5
148.41866	1.3
150.05524	1.7
150.09099	7.6
152.07080	9.8
160.03960	1.9
160.07619	1.9
162.05458	2.1
162.09198	2.0
164.07039	3.6
166.08653	18.1
172.03940	8.0
174.05540	2.8
176.07095	1.4
190.04999	7.4
194.08127	1.9
194.09796	1.2
198.11546	3.2
199.12325	1.5
204.06570	6.4
210.11472	2.7
211.08473	1.2
211.12366	6.6
212.13071	2.1
213.13855	1.7
221.10722	1.8
223.08754	1.4
223.12282	4.9
224.09363	1.6
224.12976	1.8
225.10297	6.6
225.13855	3.4
225.26350	1.3
225.28601	1.3
226.10960	2.8
226.68079	1.3
227.11819	6.7
229.13344	2.1
234.11618	1.9
235.08707	2.3
235.12251	3.4
237.10242	10.7
238.10925	6.0
239.11792	22.6
240.12602	5.1
241.13478	2.7
248.09425	1.9
249.10156	11.2
250.11021	4.4
251.11798	24.6
252.08917	2.4
252.12550	6.8
253.09718	4.4
253.13371	9.5
254.14018	1.5
255.11276	5.1
261.10236	1.8
262.11166	2.8
263.11777	19.3
264.08871	3.2
264.12448	3.1
265.09836	8.0
265.13266	10.9
266.10416	5.6
266.14099	4.5
267.11292	21.5
267.14240	1.9
268.11975	2.2
269.12885	3.2
271.10843	1.7
273.12277	1.7
277.09683	5.0
277.13370	3.8
278.10529	6.3
279.11285	36.4
280.12076	5.5
281.12878	13.0
283.10773	2.1
285.12347	13.7
291.11179	12.4
292.12012	4.2
293.09613	2.1
293.12799	11.0
295.10800	5.5
295.14218	1.9
297.12335	18.6
298.13016	1.5
299.13962	11.8
301.15491	1.5
303.11154	1.6
305.12717	1.7
307.10770	5.4
309.12247	6.2
310.12830	4.7
311.10388	2.6
311.13849	26.4
319.10788	8.4
321.12372	8.0
322.13058	2.5
323.10239	5.7
323.13715	2.6
325.11798	3.4
326.12610	2.0
327.13434	3.6
330.15900	2.6
337.11798	4.8
339.13464	8.3
341.15115	2.1
342.16006	2.4
344.17642	2.8
351.13293	3.8
353.15024	2.2
355.12973	4.4
356.17645	1.6
357.14542	5.3
358.15433	3.6
365.15042	2.4
369.14493	5.4
370.15344	2.9
372.17014	3.5
379.12820	2.9
381.14496	3.4
382.15305	1.7
383.15958	3.8
386.18832	2.1
388.21112	3.2
393.14319	2.5
395.15915	1.8
399.15475	3.1
400.16376	4.5
401.16602	1.5
402.18073	5.4
404.19702	2.4
411.15485	9.8
412.16495	3.4
414.18335	1.9
418.21509	2.5
423.15482	2.7
425.17136	2.5
427.14923	2.3
429.16440	8.2
430.17505	3.7
431.18210	2.0
432.19318	2.5
435.15607	4.1
439.15143	4.0
441.16562	5.9
446.20691	5.9
450.19919	2.4
453.16476	5.4
454.17026	1.4
459.17667	2.9
463.14536	2.3
467.14267	2.5
469.15790	2.6
471.17596	13.9
481.16141	11.0
482.16177	1.7
483.17429	1.7
484.18747	1.4
532.20178	1.4
548.22461	1.4
556.20880	2.8
557.22858	2.0
562.21521	1.7
566.25043	1.9
574.21838	4.9
576.23444	1.9
578.24432	3.9
580.22809	2.9
586.21912	3.0
588.23041	2.5
590.25134	3.0
591.23236	1.8
592.22644	4.7
593.15045	1.9
593.23767	29.0
594.24542	24.0
595.24817	3.1
604.22778	2.9
606.24518	29.0
607.24805	4.5
616.22388	2.2
618.24457	8.8
620.22357	17.2
621.23230	12.2
622.24146	12.5
634.23962	68.7
635.24640	11.5
636.25299	5.3
652.24640	4.3
655.28198	1.6
666.26556	48.2
667.27057	12.3
693.28882	2.8
703.27551	2.1
711.28882	1.9
721.29248	6.0
729.30701	4.4
739.19135	1.6
739.29755	17.9
757.30756	100.0
758.30676	6.9
789.33459	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	789.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.2
68.05013	0.5
68.91274	0.2
69.03126	0.2
69.03436	2.3
69.95119	0.4
79.05460	0.3
80.05025	0.7
81.03420	0.8
81.07035	0.3
91.05468	0.2
93.05764	0.3
93.07035	0.4
94.06577	1.6
96.04482	0.6
97.02894	0.3
98.22707	0.2
106.06561	2.4
107.04950	0.4
108.08105	0.7
109.06518	0.2
117.05737	0.2
117.07047	0.2
118.06546	1.0
119.07313	0.8
120.08111	5.4
121.08854	0.7
122.09667	0.5
124.07541	0.1
124.11241	0.9
125.02307	0.2
130.06509	1.2
130.18115	0.2
131.07288	0.5
132.08058	0.5
133.08897	0.2
134.06030	0.5
134.09628	0.6
135.04434	0.2
136.07571	0.6
136.11240	0.9
138.09178	0.3
139.03812	0.2
144.08083	0.5
146.05986	0.5
146.09717	0.3
147.06779	1.7
148.07582	3.5
149.08316	0.4
149.16269	0.2
150.09116	0.4
151.07567	0.2
152.10788	0.2
153.01823	1.4
153.05476	0.3
157.08900	0.2
158.09624	0.4
160.07573	0.6
160.11220	1.6
161.08363	1.0
161.11989	0.3
162.09142	4.3
162.12782	11.6
163.13437	0.4
164.07048	0.8
164.14339	0.8
166.08684	0.8
167.07111	0.2
170.09669	0.2
172.11188	0.2
173.11958	0.2
174.12802	1.8
175.09982	0.4
175.13457	0.2
176.10677	0.2
176.14369	3.0
178.12210	0.2
179.07121	0.2
181.04961	0.3
182.08145	0.8
186.09164	0.4
186.12811	1.4
188.10721	0.4
190.12265	0.8
190.15929	0.2
191.13071	0.2
192.13821	0.3
200.10715	0.2
202.12282	0.5
204.13843	100.0
205.14194	2.3
212.10619	0.3
218.11783	0.7
218.15367	0.3
223.06021	0.5
232.16954	1.4
239.44843	0.2
240.13841	0.2
241.14604	0.5
242.15378	1.5
243.16064	0.3
256.16962	0.5
260.16486	4.9
298.18436	0.2
310.10623	0.2
321.14493	0.2
327.09607	0.2
339.09561	0.3
353.16364	0.2
354.16913	0.5
359.12161	0.3
366.16849	0.3
368.18704	0.6
371.12302	0.2
372.17935	1.2
386.19623	23.3
387.20184	0.8
388.21158	0.2
492.17532	0.6
512.22681	0.5
524.20343	0.6
547.31787	2.3
626.63696	0.2
709.38544	0.2
721.34735	0.7
735.35809	0.8
753.37506	12.0
754.37646	1.1
759.24866	0.2
759.38293	0.4
771.38580	3.1
789.40045	2.9
790.40253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.64299	0.3
64.63040	0.3
67.05483	0.7
69.03435	1.7
70.06602	1.9
70.52811	0.4
71.04995	2.8
79.05463	0.6
80.04971	1.2
81.07028	0.3
82.06569	0.3
83.01347	1.4
84.08152	4.2
85.02866	0.9
85.50095	0.3
91.05443	0.5
93.07038	0.4
94.06525	1.1
95.04989	0.4
95.08551	0.9
96.08121	1.3
97.08900	0.5
98.05987	0.3
98.09714	0.3
98.23334	0.3
99.04415	0.8
101.05975	0.3
105.06998	0.4
106.06524	0.4
107.08577	0.5
108.08101	0.7
110.09667	1.0
110.95115	0.3
111.08093	2.5
111.21656	0.3
115.03894	1.2
120.08086	0.4
122.09686	3.2
123.08049	0.4
124.11182	1.1
129.05460	0.4
134.09618	1.0
135.10384	0.3
136.10217	0.3
136.11218	4.6
137.05940	0.3
137.12009	0.6
138.12796	0.7
139.07603	0.4
141.09071	0.4
143.03381	0.5
148.11258	0.4
150.09152	2.6
152.10684	1.1
155.06960	0.9
162.09148	0.4
162.12781	2.1
164.10710	0.3
164.14354	5.1
168.10231	2.7
170.11746	0.7
176.14389	0.5
177.05464	0.5
180.10207	0.3
180.13828	0.6
182.11769	5.3
182.15361	1.0
183.06622	0.3
184.13264	0.3
190.15831	0.4
192.13879	0.5
194.11679	0.3
195.16211	0.4
205.08736	0.4
208.13397	0.7
208.16925	1.2
210.14911	10.3
218.15320	0.5
234.14914	1.9
236.16455	4.7
247.09630	0.8
260.16501	0.5
262.17957	0.4
264.15948	4.6
278.17529	0.6
292.19153	0.9
308.18622	3.3
310.20236	0.4
316.79504	0.3
320.18549	2.4
338.19617	44.2
339.19955	1.2
354.19104	0.9
364.17673	0.4
378.19165	0.5
382.18805	0.3
387.45374	0.3
390.22620	0.6
434.21759	7.1
452.22812	100.0
453.23178	3.7
604.30371	0.3
616.98206	0.3
674.66187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
67.05488	1.2
69.03422	5.3
69.07072	1.2
69.63016	3.6
79.05502	1.2
80.05029	1.6
81.03424	5.1
81.07074	1.0
82.06606	1.6
85.02917	5.8
87.00838	1.9
91.05476	3.1
93.07067	5.4
94.06566	7.5
95.04967	1.9
95.07370	5.0
95.08638	1.6
96.08140	15.3
97.02895	3.2
97.06557	1.8
98.23480	1.3
99.04410	1.4
103.05483	1.5
105.01895	1.5
106.06580	1.6
107.07321	2.0
108.08128	15.7
109.02885	3.2
110.06047	2.6
110.09686	29.4
114.76108	0.8
118.06575	1.6
120.08109	20.8
121.06534	1.1
122.06034	1.5
122.09663	4.1
124.07616	1.2
127.03933	3.3
136.07603	12.9
137.08379	1.9
138.05505	2.8
138.09152	34.6
145.46140	0.8
146.06013	13.1
148.07558	8.3
150.09138	12.8
154.08684	1.5
162.05544	1.0
162.12776	1.3
166.08649	89.7
167.09035	1.6
172.03851	1.3
174.05547	2.5
174.75357	0.8
199.08578	1.1
204.13811	8.6
205.14154	1.5
206.08119	3.3
209.10684	1.8
211.08676	1.3
213.10353	2.0
223.08594	1.5
225.10152	4.8
227.08159	2.0
237.10265	14.9
238.10956	1.2
239.08162	6.3
239.11832	3.6
240.08926	1.0
241.09747	4.8
251.08192	3.8
252.08801	1.4
253.09723	14.0
254.10152	0.9
255.11438	4.3
260.24664	0.9
265.09729	28.5
266.07938	1.1
266.10452	2.3
267.07687	2.5
267.11334	7.0
269.09222	2.8
269.12582	1.2
277.09723	1.9
279.07999	1.3
281.09192	15.9
283.10791	12.4
286.09705	0.9
287.10327	2.4
293.09204	21.7
294.09943	1.5
295.10785	15.7
299.10239	4.6
301.11740	2.5
302.24142	1.0
309.08679	3.8
311.10260	18.7
312.10513	0.9
313.11874	4.9
315.13696	0.9
321.08704	10.4
325.11740	1.2
327.09747	18.7
339.09775	39.0
340.10452	1.6
341.11389	3.3
341.40924	1.0
353.11279	6.4
359.12381	29.9
359.16208	1.2
360.13010	1.4
371.12396	33.1
372.13074	1.1
372.17386	1.1
386.19467	1.8
388.16446	1.5
388.21106	3.3
400.16708	1.7
404.20578	1.5
414.14160	1.3
418.17477	4.9
418.22369	2.3
428.16110	1.9
436.18655	1.3
446.17145	7.2
448.18753	5.2
464.18088	9.8
466.19662	4.1
474.16678	5.0
478.19604	1.1
492.17700	100.0
493.18015	3.8
506.19330	7.4
510.18427	1.7
513.09216	0.9
524.20294	95.2
525.20544	5.2
654.21832	1.6
686.25366	1.8
702.59991	1.0
740.22845	10.7
772.25201	3.0
790.30432	1.3
791.40344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
61.02930	1.1
67.05509	1.5
69.03429	5.3
71.44760	0.8
79.05486	2.2
80.05054	1.2
81.03423	5.5
82.06599	1.3
85.02892	5.1
87.00828	1.9
91.05505	2.0
93.05814	1.8
93.07050	6.2
94.06568	4.7
95.04980	1.6
95.06854	0.8
95.07346	4.7
96.08132	11.2
97.02908	2.5
97.06547	1.0
103.05442	1.2
106.06572	1.2
107.07358	2.0
108.08119	14.3
109.02888	3.0
109.08948	1.1
110.06065	1.5
110.08986	0.9
110.09681	26.0
110.71746	0.7
118.06529	1.2
120.08106	17.8
122.06049	2.4
122.09664	3.8
127.03934	3.1
135.06824	0.9
136.07579	10.9
137.08376	0.9
138.05501	1.4
138.09149	34.2
146.05975	4.5
148.07567	9.5
150.09145	14.5
152.07071	1.2
154.08643	1.8
159.02872	1.6
164.07140	0.8
165.23392	0.9
166.08646	100.0
167.09062	1.4
174.05713	0.8
182.11600	0.8
183.57417	0.8
192.06502	0.9
204.13873	5.2
205.14104	1.3
211.08702	1.1
213.10202	1.1
223.08629	2.3
223.92264	0.8
224.09610	1.5
225.10233	4.1
227.08217	1.9
234.91214	0.9
237.10220	13.9
238.11035	1.8
239.08134	5.3
239.11784	2.7
241.09790	3.6
243.11320	1.0
247.08464	1.3
247.95738	0.9
251.08237	3.0
252.09027	2.3
253.09772	10.2
254.10365	1.3
255.07707	1.0
255.11313	4.5
265.09714	29.9
266.10379	2.7
267.07687	2.8
267.11273	5.4
268.08618	1.3
269.09305	2.3
279.07813	2.0
281.06259	1.7
281.09232	15.3
281.12360	1.3
283.10779	12.2
287.10425	2.4
293.09177	22.1
294.09970	3.2
295.10742	17.3
297.08762	1.2
299.10190	4.0
299.13528	0.9
301.11951	2.0
309.08737	3.6
311.10266	19.0
313.11902	3.0
321.08710	9.7
325.11728	1.4
326.13306	1.3
327.09720	21.3
329.11356	0.9
331.13235	1.2
339.09763	43.5
340.10205	2.0
341.11292	3.2
343.13123	1.6
353.11432	6.0
357.10703	1.0
359.12378	27.7
371.12381	33.9
372.12808	1.7
373.14603	1.7
386.14139	1.1
386.19702	1.5
387.22693	3.3
388.16687	1.4
388.20993	5.0
400.16779	1.8
404.20721	2.9
418.17624	3.9
428.15732	2.0
436.18848	2.3
446.17218	5.5
448.18527	4.1
464.18161	12.1
466.20050	1.2
474.16492	4.4
492.17661	91.9
493.17691	4.3
506.19165	7.9
524.20306	88.3
525.20160	4.1
545.91614	1.1
686.24414	1.0
740.22900	7.2
772.25189	3.2
791.40332	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	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.7
55.05511	31.8
57.03440	29.1
57.07083	2.3
59.04985	2.1
61.02932	5.5
65.03940	3.5
67.05505	77.4
67.05867	3.8
69.03431	25.1
69.06705	4.2
69.07069	57.1
70.66836	2.5
71.05000	27.3
73.02925	7.4
77.03925	3.8
79.05491	79.7
80.99837	2.0
81.03416	76.9
81.07057	85.9
83.04987	29.0
83.08618	33.9
85.02904	34.4
85.06543	6.7
91.05486	81.1
91.06065	4.2
93.07043	65.2
93.07600	4.2
95.04969	39.1
95.08597	36.6
97.02895	18.3
97.06532	100.0
97.10181	6.8
99.04459	5.4
99.08103	8.4
103.05487	3.1
105.04501	6.1
105.07030	55.2
105.07734	3.8
107.04948	18.2
107.08593	31.6
107.09263	3.3
109.02903	4.8
109.06513	28.4
109.10162	14.3
111.04440	7.7
111.08095	22.2
113.06004	6.5
113.09687	3.3
115.05483	3.8
115.07571	26.2
117.07028	20.1
119.08591	40.6
120.08924	2.3
121.06524	9.3
121.10136	28.1
123.08088	10.8
125.09595	5.3
127.03925	7.9
127.07590	6.8
128.06235	4.3
129.05521	3.2
129.07010	22.4
131.08566	33.8
133.06500	9.1
133.10132	38.8
135.08064	12.6
135.11693	12.7
137.09619	5.8
141.07025	4.4
142.07793	5.2
143.08571	8.4
145.06548	2.5
145.10107	19.3
147.08067	9.2
147.11684	23.4
149.09651	13.0
149.13264	6.0
151.11165	5.0
155.08554	4.6
157.10114	24.7
159.11717	15.4
161.09596	9.4
161.13321	2.6
163.11214	6.1
165.12718	3.7
167.08498	2.5
171.11668	7.2
173.04497	8.5
173.09686	3.3
173.13359	3.0
175.11168	23.1
177.12794	7.6
183.11662	2.6
185.13257	3.8
187.11143	3.1
189.11246	3.6
189.12802	4.0
193.12245	52.1
195.13651	4.4
199.14899	2.5
201.12662	2.8
205.12131	2.1
211.13293	73.4
216.53607	2.0
217.15878	14.3
221.15694	2.1
227.12781	8.1
233.15395	4.0
237.16394	2.6
245.12061	2.2
245.19035	7.2
249.14749	2.5
253.14384	5.3
255.17586	3.7
267.15881	28.7
269.17447	30.9
273.18463	49.0
275.20132	4.8
279.15961	2.4
283.15421	10.6
285.16965	72.6
291.19534	27.9
307.19144	4.3
321.08157	2.2
347.22147	16.3
349.23856	2.7
365.23288	16.2
371.94791	1.9
383.24335	3.1
398.96725	2.2
425.55597	2.0
437.25342	3.2
443.28250	2.7
447.27960	2.2
461.28940	17.9
465.29044	4.2
465.87943	2.4
477.28497	6.7
479.29993	40.0
483.31146	3.6
507.29617	4.2
517.31433	5.6
539.33398	7.4
557.34851	18.4
575.35687	25.0
593.36896	12.0
790.42059	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05514	18.8
57.03446	8.4
57.07080	2.1
59.04996	1.3
61.02929	1.6
62.90065	0.8
65.03946	2.2
67.05505	38.1
67.05869	2.0
68.73840	0.9
69.03425	2.6
69.07069	11.7
71.05000	5.2
73.02872	1.0
77.03912	1.4
79.05494	40.9
81.03419	36.2
81.07061	32.1
81.07551	1.0
83.04995	4.3
83.08620	13.1
85.02913	2.2
85.06546	2.3
91.05483	39.7
93.07046	40.7
93.90217	0.9
95.04971	17.8
95.08019	1.7
95.08610	21.4
97.02911	2.1
97.06529	3.8
97.10165	7.8
99.08100	3.5
101.06081	1.0
103.05465	1.5
105.04545	2.0
105.07025	38.9
107.04961	5.0
107.08594	20.6
107.09256	1.8
109.06530	3.8
109.09498	1.8
109.10158	12.7
111.08076	3.9
115.05431	1.9
117.07018	13.9
119.08585	28.1
121.06504	3.0
121.10149	18.9
123.08092	3.7
123.11720	2.9
125.09647	5.6
128.06250	2.2
129.07021	12.7
131.08565	22.4
133.06487	3.3
133.10133	19.7
135.08061	3.4
135.11687	9.8
137.09642	2.3
139.11195	1.0
141.06999	1.8
142.07808	2.8
143.08548	7.6
145.06511	1.5
145.10121	13.9
147.08061	3.2
147.11687	16.7
149.09616	3.5
149.13271	2.7
155.07451	1.1
155.08527	5.4
157.10132	14.7
159.11694	11.7
161.09671	1.9
161.13252	8.3
163.11171	2.2
163.14850	2.4
165.12753	1.3
169.10083	5.5
171.08006	1.9
171.11690	9.2
173.09587	1.3
173.11790	1.7
173.13199	7.1
175.11183	3.3
175.14862	3.2
177.12801	1.4
181.10158	4.4
183.11687	5.2
184.07391	1.2
185.09615	2.0
185.13272	7.6
187.11275	1.2
187.14825	2.4
189.11185	3.1
189.12766	1.2
193.10472	1.5
193.12277	5.7
195.11697	3.2
197.13293	4.7
199.11243	1.4
199.14813	4.1
207.11716	1.6
209.13269	3.1
211.13144	1.3
211.14871	2.1
213.16417	1.0
221.13298	1.2
223.14908	2.0
225.16521	1.3
227.12805	9.4
231.21130	1.4
240.73334	0.9
241.19557	5.0
245.13477	1.2
247.16867	1.1
259.20569	12.3
263.18149	1.1
267.15891	16.7
275.20157	1.2
283.20575	2.2
285.22073	1.3
291.19485	1.3
293.21091	1.1
297.22122	1.8
299.23743	6.3
301.21664	1.1
303.23596	1.1
323.23581	1.1
333.24338	10.3
336.20468	1.2
339.23230	1.6
357.24185	1.0
403.24811	1.5
405.31479	1.2
407.24149	1.6
415.29861	3.0
417.26385	1.3
421.25836	7.6
423.27328	1.5
433.30817	6.4
435.27213	5.7
443.27737	1.3
451.32111	10.9
461.29391	1.3
469.33420	5.7
487.34900	1.2
507.34891	5.0
515.36713	1.6
517.35205	2.4
525.35754	50.9
526.35828	1.6
539.36798	1.3
543.36816	100.0
544.37323	4.4
557.38422	9.3
567.36884	1.6
575.39368	16.4
651.38763	1.8
669.39801	1.4
687.41388	1.4
790.40662	1.4
791.39288	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.2
55.05527	0.2
56.05053	0.2
57.07077	0.3
60.04538	0.2
65.03967	0.1
67.05492	0.8
68.05051	0.4
69.03426	0.8
69.07082	0.3
69.22186	0.7
71.05017	0.4
77.03930	0.2
79.05506	1.2
80.05038	0.4
81.03450	0.2
81.07079	0.7
82.06583	0.2
83.01360	0.7
83.04979	0.2
83.07434	0.2
84.04543	0.2
86.09703	0.2
91.04974	0.2
91.05474	1.1
93.07043	1.0
93.63229	0.2
94.06607	0.5
94.93673	0.1
95.04948	0.6
95.08636	0.3
96.04552	0.2
96.08141	0.8
98.06037	0.1
98.09701	0.2
99.04501	0.6
100.11266	0.2
105.03415	0.2
105.07056	0.9
106.06548	0.7
107.04963	0.6
107.08619	0.4
108.08171	0.2
109.06564	0.5
110.09732	0.4
115.05544	0.2
117.07072	0.6
118.06544	0.7
119.04960	0.2
119.08618	0.4
120.08174	0.4
121.06552	0.5
122.09698	0.3
124.11259	0.5
126.12827	0.2
127.03915	0.9
128.06271	0.2
128.10757	0.5
129.07045	0.4
130.06575	0.2
131.04997	0.2
131.08609	0.5
132.08138	0.3
133.06548	0.5
134.09682	0.4
135.07034	0.1
135.08083	0.4
136.07602	0.4
136.11221	1.1
137.06004	0.3
137.09662	0.3
138.09239	0.3
138.12776	1.8
139.07533	0.2
140.10756	0.3
141.05537	0.4
142.07832	0.3
143.08606	0.4
144.08109	0.2
145.06538	0.6
145.10141	0.5
147.08032	0.3
148.07631	0.2
148.11182	0.2
150.09131	0.4
152.10771	0.4
153.05548	0.4
153.07117	0.1
154.12256	1.1
155.03366	1.0
155.07086	0.6
155.08556	0.3
157.10211	0.4
159.08072	0.4
159.11777	0.2
161.09668	0.3
162.09146	0.2
162.12849	0.6
163.07524	0.2
163.11203	0.2
164.10710	0.2
165.05472	1.2
165.06909	0.2
165.09108	0.2
166.08633	0.6
166.12360	0.1
167.07114	0.8
167.08632	0.2
169.10118	0.3
171.08099	0.3
173.06030	0.3
173.09636	0.4
174.12755	0.8
175.07568	0.5
176.14403	0.8
178.15894	0.3
179.07080	0.4
181.05080	0.2
183.06593	1.0
183.08009	0.3
185.09688	0.4
187.07587	0.3
187.11206	0.4
188.14412	0.2
189.09140	0.2
191.07057	0.2
191.10828	0.2
192.13863	0.3
195.06607	0.4
195.08182	0.2
197.09601	0.2
198.06761	0.2
199.07571	0.2
201.09167	0.4
202.12350	0.5
202.15962	0.2
203.07210	0.2
204.13832	1.2
205.08714	0.5
205.12221	0.2
206.15439	0.6
207.06534	0.5
211.07594	0.4
213.09131	0.4
215.10696	0.3
217.08664	0.3
217.12262	0.3
219.06557	0.2
219.10216	0.2
220.07364	0.2
220.13290	0.8
221.07983	0.2
222.14957	0.2
227.06993	0.3
229.08762	0.4
229.12424	0.1
231.10291	0.2
232.17033	0.5
233.08159	0.3
241.08607	0.2
243.10263	0.3
244.09865	0.2
245.11856	0.4
247.09744	0.5
249.11317	0.2
255.13850	0.2
256.07468	0.2
259.09665	0.4
260.16370	0.2
261.11258	1.5
263.09073	0.7
270.11429	0.1
271.09747	0.3
273.11218	2.1
275.12811	1.1
278.17743	0.2
285.11218	0.2
290.13983	0.3
299.12634	0.2
300.12442	0.2
315.16034	0.3
330.17014	0.1
340.10159	0.3
340.19571	0.2
358.20126	0.5
360.12680	0.2
361.18610	0.2
368.18793	0.3
374.23389	0.2
386.19635	0.9
388.21179	18.7
389.21460	0.6
404.20660	100.0
405.21002	3.2
445.43942	0.2
492.17819	0.2
493.17874	0.5
525.20355	0.4
727.15393	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	791.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.4
55.05524	0.4
56.08517	0.2
57.07105	0.2
59.00645	0.2
60.04547	0.1
67.05503	0.8
68.05048	0.3
69.03432	2.3
69.07092	0.3
69.41127	0.6
71.05008	0.4
79.05509	1.0
80.05051	0.5
81.07063	1.0
82.06603	0.3
83.01377	0.7
83.04992	0.2
83.07365	0.2
84.04527	0.2
91.05486	1.1
93.07039	0.9
94.06607	0.5
95.04956	0.8
96.08125	2.1
97.02966	0.2
98.06091	0.2
98.09723	0.2
99.04502	0.6
100.11269	0.3
105.07034	0.9
106.06603	0.7
107.04968	0.4
107.08656	0.7
108.08170	0.3
109.06553	0.4
111.08108	0.2
115.05498	0.3
117.07065	0.5
118.06601	0.6
119.05003	0.2
119.08630	0.5
120.08121	0.9
121.06535	0.4
121.08936	0.2
122.09669	0.3
122.82031	0.2
123.08096	0.3
124.11290	0.3
125.06039	0.2
126.09202	0.2
127.03956	0.7
128.06244	0.2
128.10767	0.6
129.07060	0.5
131.08647	0.5
132.08139	0.3
133.06548	0.5
133.10207	0.2
134.06030	0.2
134.09671	0.3
135.04451	0.2
135.08127	0.3
135.10461	0.3
136.11215	1.5
137.06007	0.3
137.09605	0.3
138.12769	4.5
139.07610	0.2
140.10742	0.2
141.05478	0.3
141.06998	0.3
142.07799	0.3
143.08548	0.3
144.08163	0.3
145.06538	0.6
145.10115	0.3
146.07355	0.2
146.09680	0.3
147.04573	0.2
147.08076	0.5
148.07610	0.6
149.06090	0.3
151.03944	0.3
151.07576	0.3
152.10780	0.5
153.05444	0.4
153.27518	0.2
154.12271	1.2
155.03412	1.1
155.07098	0.7
155.08472	0.2
157.06528	0.2
157.10182	0.4
159.08110	0.7
159.11737	0.2
160.11299	0.3
161.06102	0.2
161.09695	0.4
162.09154	0.3
162.12796	1.4
163.07526	0.3
163.09972	0.2
163.11215	0.4
164.10742	0.6
165.05470	1.3
165.09105	0.2
165.66139	0.2
166.12404	0.2
167.07005	0.8
169.10275	0.2
171.08121	0.2
173.06067	0.2
173.09708	0.5
174.12836	0.6
175.07646	0.6
176.10744	0.3
176.14342	1.5
177.09076	0.2
178.12306	0.2
178.15958	0.4
179.07069	0.4
179.13025	0.2
180.13966	0.3
183.06590	1.1
183.08025	0.3
185.09618	0.2
186.12791	0.4
187.07587	0.3
187.11241	0.3
188.14418	0.6
189.09149	0.5
189.12856	0.2
190.12331	0.5
191.07155	0.2
193.05037	0.3
195.06543	0.5
195.08115	0.2
197.09656	0.2
199.07581	0.3
201.09120	0.3
202.12219	0.3
203.06903	0.3
204.13834	5.5
205.08701	0.5
205.14621	0.4
206.15439	1.0
207.06621	0.5
209.09828	0.2
211.07594	0.2
212.08255	0.2
213.09149	0.5
215.10710	0.4
217.08701	0.2
219.06575	0.3
220.13391	0.6
221.08138	0.2
232.16986	0.6
233.08183	0.3
234.18553	0.3
235.09691	0.2
243.10234	0.2
245.08081	0.2
245.11835	0.2
247.09683	0.6
259.09723	0.4
260.16507	1.0
261.11209	1.0
263.09109	0.7
273.11243	2.2
275.12778	2.4
276.16171	0.2
278.17596	0.2
279.09045	0.2
285.11273	0.3
290.13605	0.2
291.12347	1.0
315.15729	0.2
330.17184	0.2
341.17032	0.2
342.17258	0.2
358.20078	0.3
360.21631	0.2
368.18408	0.4
370.20004	0.4
374.19760	0.2
386.19562	1.3
388.21179	49.4
389.21594	2.1
403.21631	0.3
404.20663	100.0
405.20978	4.8
446.34235	0.2
474.58298	0.2
791.40149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
55.05503	0.4
56.05037	0.3
56.67169	0.2
57.07062	0.3
67.05503	0.8
69.03435	2.5
69.07063	0.5
70.06594	0.5
71.04991	0.4
71.46590	0.2
79.05499	1.0
80.05003	0.6
81.03409	0.7
81.07046	0.9
82.06583	0.3
83.01345	0.7
83.04971	0.2
83.07360	0.2
84.08148	0.2
91.05470	1.2
93.07040	1.0
94.06559	0.6
95.04969	0.6
95.08615	0.3
96.08131	0.5
97.02928	0.2
98.06075	0.2
98.09683	0.3
99.04471	0.5
100.11250	0.3
103.05433	0.2
105.07021	1.0
106.06564	1.4
107.04950	0.3
107.08622	0.6
108.08124	0.6
109.06515	0.6
109.10139	0.2
110.06013	0.2
111.08065	0.4
112.07594	0.5
115.03950	0.3
117.07035	0.3
118.06570	0.4
118.14272	0.2
119.07306	0.4
119.08575	0.6
120.08099	2.7
121.06506	0.5
121.08885	0.4
121.10187	0.3
122.09679	0.4
123.08090	0.4
124.07564	0.3
124.11233	0.5
127.03919	0.6
128.06268	0.2
128.10794	0.2
129.06998	0.3
130.06488	0.2
131.08563	0.6
132.08128	0.2
133.06445	0.2
133.10098	0.2
134.09653	0.3
135.08087	0.4
135.10428	0.3
136.07634	0.3
136.11211	2.0
137.05975	0.4
137.09654	0.4
138.12796	0.8
141.05461	0.2
143.08583	0.3
145.06473	0.3
145.10110	0.3
146.09695	0.2
147.06819	0.4
147.07990	0.5
148.07610	0.7
148.11246	0.4
149.06000	0.3
149.09593	0.3
149.11980	0.2
151.03889	0.3
151.07523	0.6
152.10715	0.4
153.05527	0.4
154.12273	1.6
155.03403	0.4
155.07050	0.2
159.08051	0.5
160.11272	0.2
161.09618	0.3
162.09151	0.6
162.12782	9.5
163.07494	0.2
163.13412	0.4
164.10727	0.2
164.14359	0.4
165.05510	0.6
165.09068	0.3
167.07034	0.6
171.08026	0.2
172.11211	0.2
173.06010	0.3
173.09627	0.5
174.09160	0.2
174.12828	0.4
175.07523	0.6
176.10788	0.7
176.14368	0.8
177.09210	0.2
179.07039	0.8
179.08446	0.2
181.04959	0.3
183.06549	0.6
183.07973	0.2
186.12805	0.3
187.07512	0.3
187.11230	0.2
188.10709	0.2
188.14455	0.4
189.09265	0.3
190.12183	0.9
190.15936	0.2
191.07054	0.3
191.13087	0.3
193.08617	0.3
195.06531	0.3
197.09680	0.2
201.09143	0.3
203.07085	0.3
204.13837	12.1
205.08656	0.9
205.12209	0.2
205.14476	0.3
206.15346	0.2
207.06598	0.4
208.13409	0.4
211.07635	0.2
213.09023	0.2
214.15875	0.3
215.10683	0.2
217.08635	0.4
218.15283	0.2
219.10127	0.3
220.13344	0.2
221.07953	0.4
223.09573	0.2
225.09389	0.2
229.08736	0.2
229.12059	0.3
232.16966	2.6
233.08051	0.4
243.10313	0.6
247.09660	0.6
248.16414	0.2
249.11371	0.2
250.18143	0.2
258.14798	0.3
260.16492	1.0
261.11295	0.4
263.09283	0.3
264.16006	0.3
273.11227	0.9
275.12784	5.8
276.15875	0.2
278.17401	0.5
285.11340	0.4
288.16022	0.2
304.28098	0.2
311.18951	0.3
316.19135	0.2
328.18994	0.5
330.13284	0.2
341.17688	0.2
360.21762	0.3
370.20032	0.8
372.18024	0.5
386.19543	0.6
388.21170	13.0
388.71597	0.2
389.21506	0.6
404.20670	100.0
405.21014	2.9
530.31232	0.7
547.33496	0.3
709.38892	0.8
741.40521	0.2
743.39160	0.7
775.41492	2.0
791.41565	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	791.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05506	0.5
56.05028	0.3
64.28220	0.2
67.05511	1.1
68.05036	0.4
69.03428	2.9
69.07044	0.3
70.06584	0.8
71.04991	0.3
72.09689	0.2
73.74606	0.2
74.19313	0.2
75.97984	0.2
79.05500	1.9
79.22450	0.2
80.05026	2.6
81.03416	0.2
81.07058	6.3
82.06576	1.2
83.04995	0.3
83.07366	0.6
84.08144	3.6
85.02901	0.4
86.09692	0.2
91.05482	1.5
93.07051	2.0
94.06583	1.6
95.04973	0.8
95.08608	0.9
96.08126	1.1
97.02907	1.0
99.04446	0.7
100.07620	0.3
102.19572	0.2
105.07040	1.6
106.00945	0.2
106.06598	0.6
107.04930	0.3
107.07398	0.2
107.08617	1.1
108.08131	1.6
109.06520	1.9
109.10181	0.3
110.06036	0.3
110.09674	0.7
111.04406	0.3
111.08099	1.0
112.07600	0.4
113.02344	0.5
117.07038	0.5
118.06503	0.2
119.05005	0.2
119.08607	0.8
120.08125	1.0
121.06531	0.5
122.09679	3.4
123.04432	1.9
123.08067	0.4
124.07596	1.3
124.11242	1.1
125.06018	0.7
125.09651	0.9
126.09142	3.4
128.07080	0.3
129.07030	0.6
131.08569	0.9
132.08087	0.8
134.09665	2.7
135.08098	0.5
136.07608	0.3
136.11247	0.9
137.05988	4.8
137.08266	0.2
138.09135	0.8
139.07539	0.2
142.07727	0.4
145.06424	0.3
145.10127	0.7
146.09653	0.5
147.08035	0.5
147.11668	0.3
148.07568	0.3
148.11215	0.8
149.09578	0.3
150.09145	5.0
150.12823	0.4
152.09503	0.5
152.10709	7.7
154.12285	1.7
155.08514	0.2
157.10161	0.8
158.09683	0.8
159.08141	0.6
159.11752	0.3
160.11244	0.5
161.09727	0.4
162.09140	0.4
162.12802	0.4
163.07538	0.2
164.10744	0.6
166.08641	1.1
168.10220	3.2
173.09637	0.5
174.12811	1.7
175.07582	0.3
175.11269	0.5
176.10741	0.4
178.12328	0.3
180.10217	1.0
182.11774	19.3
183.12015	0.3
185.09613	0.5
186.12857	0.8
188.14278	0.3
190.12325	0.5
192.13817	1.9
194.11765	0.6
198.11279	0.8
201.09169	0.3
202.12276	0.4
203.10712	0.3
208.13403	0.6
218.11795	1.0
220.13226	1.2
222.14923	2.0
224.12823	0.3
232.13374	1.9
234.14929	1.0
248.12938	0.6
248.16655	0.3
250.14406	0.6
258.15005	0.8
260.16595	0.4
262.18185	0.4
272.16611	0.4
273.17303	0.3
274.14508	0.5
275.12839	0.6
276.15948	0.8
290.17502	1.1
312.65512	0.2
314.17477	3.0
327.09549	0.2
342.20654	0.5
357.25522	0.2
360.17972	0.7
360.21848	1.2
370.20258	2.4
387.20145	0.5
388.21198	100.0
389.21533	2.9
404.20688	23.3
405.21210	1.3
450.95325	0.2
493.17767	0.6
525.20813	0.6
557.34351	0.3
791.32349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
56.05030	0.2
67.05495	0.7
68.05033	0.3
69.03425	2.2
69.50578	0.2
69.80976	0.6
69.81326	0.2
70.06591	0.5
71.04984	0.4
78.58756	0.2
79.05501	1.5
80.05024	1.9
80.65314	0.2
81.03421	0.2
81.07053	7.5
82.06570	0.6
83.04997	0.3
83.07357	0.3
84.08134	2.7
91.05474	0.9
93.07041	1.6
94.06558	1.4
95.04962	0.6
95.08590	0.7
96.08131	0.6
97.02878	0.5
99.04445	0.5
99.68240	0.2
105.07032	1.1
106.06557	0.8
107.04979	0.2
107.08583	1.1
108.08100	1.7
109.06516	2.2
109.08894	0.8
109.10136	0.2
110.09664	0.3
111.08066	0.7
112.07677	0.3
113.02377	0.4
117.06995	0.4
118.06559	0.2
119.08541	0.5
120.08106	0.8
121.06519	0.4
121.10152	0.2
122.09671	3.0
123.04436	1.1
124.07594	1.5
124.11189	1.3
125.05987	0.6
125.09645	0.6
126.09158	1.8
129.07013	0.2
130.06459	0.2
131.08539	0.5
132.08096	0.5
133.06531	0.2
134.08696	0.4
134.09639	2.9
135.08069	0.3
136.11223	1.1
137.05974	6.8
138.12785	0.3
142.07721	0.3
142.08701	0.3
143.08577	0.3
144.08070	0.4
145.06438	0.2
145.10092	0.4
146.09578	0.4
147.08017	0.4
148.07570	0.3
148.11229	0.6
150.09137	3.9
151.07581	0.3
152.10703	11.6
153.01826	0.2
153.11424	0.4
153.25594	0.2
154.12299	0.8
157.10097	0.7
158.09616	0.5
160.11162	0.3
161.09598	0.3
161.11752	0.2
162.09122	0.6
162.12781	0.6
163.13097	0.3
164.10707	0.9
168.10202	2.1
172.11188	0.2
173.09605	0.2
174.12790	1.5
175.11258	0.5
175.13216	0.2
176.10643	0.2
176.14371	0.4
178.12282	0.6
180.10185	1.4
182.11761	22.3
183.12209	0.3
184.11122	0.3
185.09677	0.4
186.12845	0.5
189.09225	0.2
191.10655	0.2
192.13792	1.1
194.11766	0.5
198.11295	1.2
198.12831	0.3
203.10791	0.3
204.13838	4.1
205.14111	2.1
206.11894	0.2
206.14542	0.6
208.13358	0.5
218.11803	1.0
219.10161	0.3
220.13295	0.8
222.14893	2.3
232.13316	1.5
233.14183	0.4
234.14879	0.8
236.12733	0.2
248.12846	0.3
250.14368	0.5
251.15178	0.5
252.16017	0.3
258.14883	0.2
272.16501	0.3
274.14465	0.3
276.15982	0.7
286.17899	0.2
290.17444	0.2
314.17477	1.9
344.18582	0.3
360.17834	0.3
360.21658	0.5
370.20154	2.2
386.19565	0.7
387.19925	0.8
388.21164	100.0
389.21515	2.8
390.22601	1.3
404.20660	4.2
405.20950	0.4
651.05151	0.2
755.37750	0.9
791.40668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
55.05519	0.2
56.05041	0.2
57.07079	0.5
59.05028	0.1
66.80037	0.1
67.05511	0.8
68.05048	0.3
69.03424	2.5
69.03747	0.2
69.07087	0.3
71.05007	0.4
79.05498	1.0
80.05036	0.5
81.07060	0.9
81.96129	0.2
82.06599	0.3
83.01370	0.5
83.04996	0.2
83.07379	0.4
84.08180	0.1
85.63601	0.1
91.05478	1.2
93.07040	1.0
94.06577	0.4
95.04998	0.6
95.08643	0.2
96.08125	1.5
98.06093	0.2
98.09711	0.2
99.04491	0.6
100.11268	0.4
104.84782	0.2
105.07029	0.9
106.06590	0.7
107.04990	0.6
107.08600	0.5
109.06546	0.5
110.09738	0.2
111.04399	0.2
112.07581	0.2
115.03902	0.1
115.05457	0.1
117.07056	0.6
118.06577	0.6
119.04951	0.3
119.08645	0.5
120.08141	0.8
121.06551	0.6
122.09737	0.4
123.08104	0.2
124.11296	0.4
126.09162	0.2
127.03883	0.8
128.06181	0.2
128.10791	0.4
129.07030	0.2
131.08609	0.5
132.08122	0.3
133.06499	0.5
133.08914	0.2
134.09683	0.5
135.08102	0.5
136.07597	0.2
136.11211	1.6
137.06009	0.3
137.09651	0.3
138.12778	5.2
139.03912	0.1
139.07593	0.2
140.10753	0.3
141.05495	0.4
141.06987	0.2
142.07874	0.2
143.08615	0.3
145.06505	0.6
145.10170	0.4
146.09680	0.2
147.08067	0.4
148.07610	0.5
148.11226	0.2
151.03960	0.3
151.07513	0.2
152.06221	0.2
152.10728	0.5
153.05492	0.3
154.12277	1.2
155.03383	1.3
155.07092	0.4
155.08565	0.4
157.06535	0.2
157.10138	0.3
158.07336	0.2
159.08087	0.4
159.11768	0.2
160.11240	0.3
161.05981	0.2
161.09644	0.3
162.09192	0.4
162.12772	1.2
163.07559	0.2
163.11261	0.3
164.10741	0.6
164.14354	0.2
165.05486	1.3
165.09123	0.3
165.12732	0.2
167.07114	0.5
167.08516	0.2
169.06532	0.2
169.10121	0.2
173.05984	0.4
173.09715	0.4
174.12825	0.5
175.07547	0.3
176.10808	0.2
176.14351	1.2
177.09149	0.3
177.12880	0.2
178.15901	0.4
179.07059	0.4
180.13860	0.2
182.11726	0.2
183.06555	1.3
183.08035	0.2
185.09653	0.3
185.98894	0.1
186.12741	0.3
187.07539	0.2
187.11276	0.4
187.13509	0.2
188.14412	0.4
189.09116	0.3
190.12253	0.4
191.10744	0.2
192.13905	0.3
195.06555	0.4
197.09621	0.3
199.07501	0.4
201.09155	0.5
202.12238	0.3
203.07082	0.2
203.10686	0.4
204.13831	6.1
205.08620	0.3
205.14638	0.3
206.15358	0.9
207.06584	0.8
207.10054	0.2
213.09055	0.3
214.15916	0.2
215.10768	0.2
217.08693	0.2
219.06548	0.3
219.10176	0.2
220.13396	0.5
221.08012	0.3
225.09113	0.2
230.15395	0.2
231.10124	0.2
232.17058	0.5
233.07983	0.3
233.11937	0.1
234.18616	0.3
241.08621	0.2
243.10181	0.2
245.11790	0.3
247.09772	0.7
249.11194	0.2
250.18024	0.3
253.08516	0.3
255.10146	0.2
259.09720	0.2
260.16458	1.4
261.11179	0.9
263.09128	0.4
273.11240	2.6
275.12781	2.7
278.17673	0.4
279.13855	0.2
284.48654	0.2
287.11652	0.2
291.12390	0.6
299.12625	0.2
300.12646	0.2
330.17026	0.3
341.17276	0.2
358.20120	0.3
360.21768	0.3
368.18604	0.4
370.20178	0.2
373.18567	0.2
386.19672	0.9
388.21170	55.6
389.21591	2.4
404.20657	100.0
405.20984	5.0
448.92770	0.1
635.94952	0.2
791.41425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.05496	0.4
56.05034	0.5
57.03423	0.2
64.30906	0.1
67.05502	0.8
69.03419	0.5
69.07046	0.4
70.06596	1.6
70.72022	0.2
71.04990	0.2
79.05489	0.7
79.06039	0.1
79.63081	0.2
80.05013	0.5
81.07050	0.8
82.06570	0.3
83.08620	0.2
84.08133	0.8
86.09692	0.2
91.05483	0.2
93.07022	0.7
95.07367	0.3
95.08606	1.5
96.08131	1.1
97.02885	0.4
97.08888	0.6
97.67515	0.2
98.06087	0.1
98.09662	0.3
99.04465	0.3
100.07579	0.2
101.97102	0.2
105.07027	0.5
107.08574	0.7
108.08115	0.2
109.10159	0.2
110.09693	0.7
111.10477	0.2
119.08576	0.4
120.08090	0.3
121.06527	0.2
121.10132	0.5
122.09664	1.5
123.08059	0.2
123.10435	0.2
123.78900	0.1
124.07561	0.2
124.11242	0.6
125.05984	0.2
125.59917	0.2
126.12785	0.5
128.07108	0.1
131.08574	0.2
132.24355	0.1
133.10107	0.4
134.09637	0.2
135.11722	0.2
136.11221	3.5
136.12259	0.3
137.11998	0.3
138.12775	1.2
139.77097	0.1
142.08594	0.2
145.10135	0.5
147.11641	0.2
148.11200	0.4
149.11868	0.1
150.09142	1.0
150.12746	0.9
151.13570	0.5
152.10725	0.2
152.14337	0.2
159.11722	0.2
160.11125	0.2
161.13223	0.2
162.12778	1.0
163.14864	0.2
164.14403	0.9
168.10194	1.4
176.14320	0.5
178.15904	1.3
180.17473	3.3
180.18938	0.3
182.11769	0.6
190.15875	1.2
192.17552	0.9
193.18237	0.5
204.17467	1.1
206.19054	2.2
208.17009	0.2
218.15421	0.3
219.54716	0.2
222.14909	0.4
234.14821	0.6
234.22150	0.2
236.16440	3.0
238.18077	0.3
248.16388	0.2
250.18039	0.6
262.18036	0.3
264.19589	0.8
274.17969	1.1
276.19598	1.6
302.21100	2.8
330.24405	0.3
334.20410	0.2
348.25293	0.5
358.23730	0.5
374.23199	0.4
376.24796	100.0
377.25189	3.8
382.46289	0.2
388.21643	0.2
416.20660	0.2
518.99524	0.2
578.07239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.4
67.05492	0.5
69.03427	0.4
69.18839	0.7
69.45955	0.2
70.06607	0.3
79.05492	1.2
81.07058	6.7
82.06565	0.3
82.88240	0.1
84.08147	2.1
91.05461	0.2
93.07050	0.9
95.08604	0.8
96.08130	1.3
97.08923	1.2
101.32626	0.2
102.12131	0.1
105.07066	0.1
105.99229	0.2
107.08586	0.2
108.08121	0.2
109.06528	2.2
110.08944	0.2
110.09664	1.9
111.04451	0.2
119.08578	0.2
121.06486	0.2
121.10152	0.6
122.09675	0.4
123.04427	0.2
123.10446	0.3
134.09679	0.3
135.08046	0.2
136.11203	3.4
137.05980	6.4
137.11882	0.2
138.12776	17.1
148.11172	0.3
150.09061	0.2
150.12781	1.8
151.13567	2.0
162.12813	0.6
164.14357	4.2
168.10214	0.2
176.14337	0.3
178.15883	0.2
182.11769	0.4
190.16048	0.2
192.17470	0.4
194.11774	0.2
208.13283	0.1
220.62631	0.2
222.14903	0.2
236.16426	0.8
238.18086	0.3
262.18011	3.4
262.20590	0.3
274.17953	0.2
292.99643	0.2
300.19611	2.2
310.21640	0.2
328.22861	0.2
356.22189	0.5
374.23245	100.0
375.23602	3.6
376.24814	0.2
378.26547	0.2
418.21799	0.2
451.17380	0.2
529.29938	0.2
572.62646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69699	0.3
56.05029	2.9
60.04507	0.5
62.14077	0.3
62.24566	0.3
69.04541	0.9
70.02940	0.9
70.13448	0.8
81.04534	3.5
82.05313	3.5
83.06099	13.9
84.08131	0.6
85.04019	0.7
86.09702	14.6
91.05461	1.6
93.04523	11.0
93.05116	0.5
94.05342	0.5
95.06091	0.7
96.08111	0.4
106.06525	0.5
108.05555	0.4
109.04005	1.2
109.06381	0.7
110.07157	100.0
111.07487	0.7
113.03464	0.8
118.06539	5.0
120.05595	2.5
120.08192	0.3
121.04002	0.8
122.07165	0.4
122.09562	0.3
125.03466	0.9
127.05014	0.4
131.32607	0.4
132.04440	0.4
133.06247	0.3
134.06024	1.6
134.07089	0.7
136.04088	0.4
136.05066	1.3
136.07617	0.8
137.08240	0.6
138.06645	1.0
138.09134	0.3
145.02843	0.8
146.06010	4.1
155.09338	1.0
155.11774	1.2
158.06012	1.5
160.03893	0.5
160.05107	0.4
161.08192	0.9
162.05405	0.4
162.06660	1.2
164.04604	0.6
164.08167	0.4
165.07716	4.8
173.07088	0.5
174.05455	0.7
177.05441	1.0
177.07722	1.0
178.06018	0.5
178.08435	0.4
179.09222	1.0
181.09743	0.6
184.03894	0.5
189.07751	1.0
190.06268	0.5
191.05733	0.3
201.06555	0.8
202.04980	0.7
205.07202	5.3
207.08795	1.5
214.12289	0.7
215.08215	0.4
219.07683	1.0
220.10843	0.7
222.09262	0.3
233.06670	9.3
243.07516	0.6
243.14992	0.4
249.15849	0.4
250.09332	4.5
260.10959	0.3
264.10190	0.8
266.11472	0.4
269.05771	0.4
273.13559	1.0
277.15317	0.4
300.14511	5.5
305.09213	0.6
307.10849	0.8
317.07608	0.4
318.15686	0.4
328.13943	2.0
331.17609	0.6
332.16153	1.4
338.12701	0.4
338.19604	0.5
345.16800	1.5
363.17795	1.3
371.17154	0.8
382.13849	0.4
410.13596	0.7
416.19565	1.0
420.19449	0.7
427.16272	0.6
444.18701	4.6
452.22879	0.7
453.23172	1.0
454.23523	1.2
455.23810	0.5
464.21381	1.1
482.26450	0.4
492.20773	0.9
504.22443	0.4
516.18335	1.0
525.23920	0.5
531.73505	0.4
532.21924	1.8
549.23480	0.6
553.24939	0.7
581.24567	10.9
582.24707	0.4
629.27448	0.4
637.26605	2.3
655.27264	1.2
669.27740	2.7
686.28772	2.5
686.86865	0.4
687.28705	0.7
764.32880	0.5
774.31989	7.9
792.32990	12.6
793.33136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
57.03424	0.4
66.64983	0.3
67.05486	1.1
68.05003	1.0
69.03426	3.1
69.07058	0.4
69.62379	0.7
69.62769	0.9
70.06588	0.6
71.04971	0.7
74.12741	0.4
79.05475	1.2
80.05013	2.1
81.03388	1.3
81.07025	1.2
82.06562	0.7
83.01334	0.9
85.02866	0.4
91.05488	2.0
93.05777	0.4
93.07017	1.1
94.06564	3.8
95.04955	1.0
95.08593	0.5
96.04468	0.5
96.08131	0.4
98.06027	0.4
99.04440	0.5
103.05419	0.4
105.06982	1.1
106.06549	3.6
107.04897	0.4
107.08571	0.6
108.08092	1.4
109.06512	0.9
111.08092	0.6
111.10436	0.6
118.06538	2.0
119.04906	0.4
119.07309	0.8
119.08563	0.6
120.08105	8.3
121.08929	0.7
122.09640	1.2
123.04307	0.4
123.08046	1.0
124.11202	1.4
127.03885	0.8
130.06541	1.9
130.07375	0.4
131.07314	0.5
131.08565	0.6
132.08087	1.1
133.05182	0.9
133.08882	0.5
134.05983	1.1
134.09616	1.7
136.11220	3.8
137.05943	0.8
137.09586	0.5
139.07547	0.7
141.05421	0.4
144.08064	1.3
145.08719	0.4
146.05965	0.6
146.09656	1.9
147.06769	2.1
147.08037	1.0
148.07573	5.1
148.11252	0.7
149.05989	0.7
149.08418	0.5
149.09637	0.8
151.03830	0.7
151.07545	0.9
152.10660	1.4
154.12236	1.9
155.03326	1.7
155.07030	1.1
157.08812	0.4
158.09634	0.5
159.08087	0.8
160.11209	1.7
161.08351	0.8
161.09595	0.5
161.11992	0.5
162.09155	3.3
162.12781	22.1
163.13161	1.1
164.14340	3.1
165.05466	0.8
167.07085	0.7
172.11209	1.6
173.12021	0.8
174.12779	2.4
175.07512	0.6
175.09831	0.4
175.13519	0.4
176.10645	1.2
176.14325	3.4
178.12215	0.4
179.06985	0.9
180.13794	1.6
181.04948	1.2
181.08578	0.4
183.06537	2.2
186.12726	2.6
187.07497	0.5
187.11165	0.6
187.13521	1.0
188.10620	0.8
188.14328	2.0
190.12262	6.0
190.15883	0.6
191.12996	0.6
200.10678	0.6
202.12292	0.5
203.09335	0.6
204.13835	100.0
205.14233	3.6
206.15417	0.8
207.06561	1.3
212.10675	0.9
213.09132	0.4
214.15935	1.7
216.10298	0.4
216.17464	0.8
218.11807	1.9
218.15387	1.3
219.06526	0.5
225.07458	0.8
231.14078	0.4
232.16948	7.0
233.17357	0.6
240.13663	0.4
242.15431	1.1
243.10095	0.8
244.16951	0.7
247.09741	1.5
249.11211	0.6
250.18050	0.4
254.15381	0.5
255.16165	1.1
258.14920	0.5
260.16467	20.3
270.18341	1.8
275.12781	2.5
276.13080	1.1
278.17468	1.3
298.18045	0.6
316.19141	2.7
330.16953	1.2
370.20001	1.9
373.18866	0.5
386.19559	0.4
388.21182	69.8
389.21494	4.2
404.20679	29.6
405.21017	30.7
406.21399	1.3
424.21057	0.7
440.20853	0.9
466.22247	2.5
483.22095	0.8
484.23444	1.2
725.37421	0.7
743.38940	17.4
744.39227	1.0
766.50543	0.4
775.41528	17.0
776.41541	1.6
792.40344	1.3
793.42657	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	792.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.03402	0.2
57.07068	0.2
61.30459	0.2
67.05485	0.5
68.05010	0.5
69.03429	1.7
69.07050	0.2
71.04974	0.5
79.05481	0.5
80.05011	0.8
81.03410	0.8
81.07042	0.3
83.01338	0.5
83.04998	0.3
83.07339	0.3
85.02894	0.2
86.06052	0.2
87.63776	0.1
91.05489	1.0
93.05782	0.4
93.07049	0.4
94.06569	1.7
95.04937	0.5
95.08608	0.4
96.04475	0.3
96.08111	0.7
97.02847	0.2
98.06048	0.3
99.04446	0.5
103.05530	0.2
105.07047	0.4
106.06559	2.4
107.04967	0.3
107.08587	0.2
108.05765	0.2
108.08109	0.7
109.06505	0.5
109.10181	0.2
110.06107	0.2
111.08051	0.3
111.09779	0.2
111.10471	1.0
115.03922	0.2
117.05748	0.4
117.07015	0.2
118.06564	1.0
119.04935	0.5
119.07323	0.7
119.08604	0.4
120.07309	0.3
120.08118	4.4
121.06480	0.4
121.08859	0.4
122.09663	1.0
123.08083	0.6
124.11231	1.0
127.03914	0.9
130.06538	0.9
131.07298	0.4
131.08543	0.2
132.08076	0.8
133.05167	0.4
133.08908	0.3
133.10120	0.2
134.05988	0.5
134.09665	1.1
134.93184	0.1
135.08084	0.2
136.05168	0.4
136.07610	0.2
136.11212	2.0
137.05957	1.0
137.09636	0.2
138.12773	1.3
139.07524	0.3
139.09961	0.3
139.13084	0.2
143.07346	0.2
143.08438	0.2
144.08093	0.6
145.06517	0.3
145.08922	0.3
145.10112	0.2
146.05978	0.4
146.09644	1.6
147.06779	1.5
147.07968	0.3
148.07581	3.6
148.08759	0.3
148.11192	0.4
149.05989	0.3
149.08322	0.4
149.09590	0.3
149.11931	0.2
150.09126	0.3
151.03911	0.3
151.07555	0.4
152.10698	0.8
153.05515	0.2
154.12259	0.7
155.03365	1.5
155.07031	0.7
158.09669	0.3
159.08060	0.2
160.07536	0.4
160.08784	0.2
160.11230	1.2
161.08353	0.7
161.09560	0.2
161.11974	0.2
161.13376	0.2
162.09151	3.2
162.12787	13.3
163.07539	0.2
163.09821	0.2
163.11200	0.3
163.13315	0.3
164.07022	0.2
164.14354	2.1
165.05556	0.7
165.09135	0.3
167.07048	0.6
172.11182	1.2
173.09691	0.2
173.11975	0.2
174.09186	0.2
174.12810	1.4
176.10713	0.8
176.14368	2.3
178.12247	0.5
179.07062	1.3
180.13855	1.8
181.08600	0.6
182.11792	0.3
183.06525	2.0
186.12798	2.0
187.13585	1.0
188.10716	0.7
188.14366	1.8
189.09155	0.2
190.10698	0.3
190.12282	3.7
190.15910	0.2
191.13020	0.3
192.13800	0.2
200.10707	0.4
200.14388	0.3
202.12283	0.5
203.09392	0.7
204.13838	61.4
205.14348	1.8
206.15300	0.8
207.06488	1.8
207.10146	0.3
209.08163	0.3
212.10796	0.2
214.15941	1.0
215.16647	0.4
216.10162	0.2
216.13855	0.2
216.17479	0.6
218.11891	0.8
218.15341	0.9
220.13348	0.7
225.07506	0.7
228.13852	0.4
232.16966	2.4
233.08102	0.2
234.14964	0.2
242.15416	0.8
243.16190	0.4
244.16957	0.2
247.09773	0.8
248.10057	0.2
249.11349	0.3
255.16161	0.3
258.14767	0.3
260.16461	13.0
261.16843	0.4
268.13297	0.2
270.18597	0.7
272.16528	0.5
273.11212	0.3
273.16714	0.3
275.09482	0.1
275.12607	0.8
276.13068	0.2
276.15991	0.2
290.17465	1.7
291.17929	1.4
294.18433	0.3
298.17892	0.4
302.17468	0.2
312.15930	0.3
314.13861	0.2
316.19055	0.8
330.17010	1.3
332.14954	0.3
352.19043	0.3
360.21658	0.9
370.20099	2.4
371.20416	0.4
373.18771	0.6
388.21176	100.0
388.71347	4.0
389.21494	13.8
390.22519	2.0
404.20724	2.4
405.20901	1.3
406.22037	0.5
424.20950	0.2
483.22482	0.2
536.36047	0.2
671.18219	0.2
743.38513	1.0
757.39819	0.3
775.41638	14.0
776.41498	1.5
792.41144	0.7
793.42316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.2
55.05511	13.6
57.03435	8.2
57.07074	1.5
61.02929	1.8
65.03922	1.9
66.02322	0.9
67.05506	29.6
69.03436	7.0
69.06761	1.3
69.07070	14.4
69.72346	3.2
71.01337	1.1
71.04986	3.5
73.02927	1.8
79.05497	25.4
80.05018	1.9
81.03416	43.6
81.07052	31.1
83.04976	5.3
83.08612	11.5
85.02887	3.4
85.06537	2.8
86.09689	1.4
91.05479	24.9
93.07046	24.0
94.06549	3.3
95.04408	1.5
95.04973	16.1
95.08023	1.4
95.08601	15.7
97.02892	4.5
97.06538	6.9
97.10172	8.9
99.04446	1.6
99.08117	1.9
105.04536	1.1
105.07024	18.9
106.06554	3.9
107.04976	7.1
107.08588	18.7
109.02873	1.6
109.06511	5.3
109.10146	6.3
111.04436	1.7
111.08080	6.1
111.10458	2.9
115.05467	1.8
117.07008	7.9
118.06560	1.0
119.08586	15.4
120.08121	8.8
121.06512	4.8
121.10153	12.0
122.09653	1.8
123.04389	0.9
123.08058	3.6
123.11726	2.1
124.11213	2.0
125.09641	7.7
127.03918	1.6
128.06270	0.9
129.07005	7.1
130.06525	2.3
131.08557	13.5
132.08086	2.2
133.06482	2.0
133.10124	9.7
134.09627	1.9
135.08066	2.8
135.11696	7.5
136.11182	2.8
137.09598	2.0
139.11150	1.0
141.06993	0.9
142.07729	2.0
143.05054	1.0
143.07419	1.0
143.08542	3.9
144.08092	1.5
145.06490	2.6
145.10115	7.6
146.09592	2.0
147.06825	2.2
147.08020	3.3
147.11681	9.3
148.07584	5.1
149.09604	7.7
149.13252	3.3
151.11197	1.2
153.09105	1.1
155.03435	1.8
155.08568	1.4
157.10100	8.3
158.09595	1.0
159.07938	1.3
159.11668	5.3
160.11162	1.1
161.08371	1.0
161.09637	2.0
161.13191	1.1
162.09175	5.7
162.12772	24.9
163.11134	4.8
164.14372	3.0
165.12715	1.8
167.08572	1.1
169.10112	1.9
171.10269	1.3
171.11679	2.0
172.11206	1.7
173.13243	1.9
174.12830	2.7
175.11189	4.5
176.10696	1.1
176.14339	3.0
177.12758	1.2
178.12300	1.5
178.78043	0.9
179.07030	2.7
180.13844	2.9
181.10046	1.2
183.06503	2.6
183.11682	1.6
184.07343	1.8
185.13286	1.9
186.12799	3.6
187.13484	2.1
188.14317	3.2
189.11224	4.0
190.12276	6.1
191.12926	1.3
193.12178	9.2
195.13901	1.1
199.14896	1.2
201.88126	1.0
204.13829	86.5
205.14331	2.7
207.06511	3.4
210.50681	1.0
211.13275	1.7
211.48627	1.0
213.16438	1.2
214.15977	1.4
216.17464	1.7
217.15868	1.3
218.15239	1.2
227.12778	8.0
232.16916	5.5
242.15396	2.4
244.16656	1.1
245.13768	1.4
247.09669	1.3
247.20531	1.2
249.11185	1.4
249.14873	1.8
255.15962	4.9
257.19040	1.6
260.16470	17.3
267.15878	37.1
269.17496	8.7
270.18393	1.7
273.18484	1.1
275.20010	9.3
285.16956	1.6
293.21085	1.1
298.17902	1.0
299.19958	1.4
316.19061	1.6
330.16989	3.5
349.23755	11.4
360.21719	2.1
367.24634	2.3
369.24161	2.3
370.20035	4.9
373.18747	1.1
373.23444	1.1
387.25122	1.3
388.21167	100.0
389.21609	3.2
404.20709	1.3
405.20963	2.1
421.25735	2.9
431.29230	1.3
435.27692	1.4
443.27917	3.4
447.27448	10.9
449.30353	2.5
459.27298	1.5
461.22748	1.9
461.28995	33.9
462.28705	1.3
467.31519	2.8
469.20245	1.2
479.30457	4.9
523.34833	1.4
541.35278	29.5
541.43463	1.8
542.35492	1.3
559.36139	15.3
577.36920	2.9
594.52301	1.1
622.45013	1.1
743.38318	3.9
775.41565	54.8
776.41589	3.8
792.40143	5.3
793.40106	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.4
55.05513	33.3
57.03446	18.9
57.07077	3.4
59.05007	2.7
61.02920	4.3
65.03947	3.3
67.05511	79.5
69.03423	11.5
69.07076	32.2
71.05003	6.4
71.22151	2.7
79.05499	66.5
80.05010	2.5
81.03422	75.6
81.07059	94.8
83.04983	22.5
83.08627	36.4
85.02904	33.0
85.06540	6.4
86.80126	1.8
91.05479	66.2
93.07047	50.6
93.07607	3.8
94.06573	3.8
95.04972	35.1
95.08617	33.7
97.02911	6.5
97.06549	12.8
97.10174	11.6
99.04436	4.1
99.08105	4.3
100.77549	1.8
105.07037	48.3
106.06560	4.4
107.04951	18.1
107.08598	36.7
108.08088	2.0
109.02902	2.0
109.06549	16.3
109.07175	2.8
109.10168	24.4
111.04445	4.7
111.08077	18.5
113.05991	2.9
115.05496	3.1
117.07034	14.4
119.04932	2.8
119.07350	2.1
119.08585	35.9
120.08105	7.8
121.06523	7.4
121.10136	25.6
123.08089	7.9
123.11708	6.6
125.09647	8.1
127.03886	4.4
129.07008	14.7
131.08571	27.6
133.06483	5.1
133.10127	32.4
135.08073	6.8
135.11662	10.4
136.11205	5.1
137.05977	2.0
137.09628	5.5
138.12781	2.2
142.07813	3.2
143.07080	2.5
143.08586	2.4
145.04942	3.9
145.10118	13.6
146.09677	4.3
147.08052	7.0
147.11687	26.3
148.07594	6.7
149.09627	14.7
149.13292	14.6
151.07518	3.5
152.10645	2.6
153.09126	2.8
155.03423	2.6
155.08562	2.0
157.10120	20.9
159.11644	12.2
161.13275	3.1
162.09169	6.5
162.12779	30.4
163.11177	6.8
164.14343	2.5
165.05458	2.4
165.12762	5.5
169.10176	2.3
171.11725	5.2
172.11261	3.0
173.09686	2.6
173.11938	2.5
173.13300	4.6
174.12738	2.8
175.11220	16.4
176.14325	4.1
177.12859	3.2
180.13788	3.4
186.12810	5.6
188.14388	5.2
190.12283	5.0
191.14330	2.6
193.12239	48.6
195.13821	2.9
204.13844	89.5
205.12491	2.1
205.14330	2.5
207.06490	3.6
211.13277	53.4
214.15831	4.0
218.11868	2.0
227.12772	4.9
229.14281	9.8
232.17055	5.5
239.18179	2.3
247.09569	2.6
257.19061	7.9
260.16470	20.1
267.15912	36.3
269.17477	26.0
270.18732	2.3
275.20099	40.1
278.17691	2.0
285.16977	61.2
293.21124	6.8
330.17096	3.2
349.23761	30.5
360.21671	3.3
367.24838	12.7
370.20126	6.1
388.21201	100.0
389.21478	5.7
404.20908	2.8
405.20999	2.8
421.25955	3.9
425.46735	2.4
439.26941	22.9
443.28134	2.9
445.29297	3.0
461.28958	34.0
463.30215	3.0
467.31339	2.6
479.30045	92.5
480.30054	3.0
523.34186	3.6
541.35223	30.7
559.36261	62.6
560.36603	2.8
577.37305	27.8
623.34479	4.2
743.38367	5.2
775.41638	51.0
776.42224	3.2
792.38715	42.5
793.41565	10.6
800.49683	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	792.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05518	6.6
57.03433	3.3
57.07085	1.5
59.05017	1.1
64.11021	0.9
65.03939	1.0
66.50537	1.0
67.05509	16.4
69.03422	2.7
69.07066	5.8
69.15558	1.1
71.04987	2.2
71.44725	1.2
79.05497	11.9
80.05006	1.3
81.03422	10.9
81.07060	16.4
83.04960	1.6
83.08171	0.9
83.08602	5.2
84.08147	1.1
85.02893	1.9
85.06545	1.0
87.95042	0.9
91.05477	9.3
93.07047	14.7
94.06554	2.9
95.04986	5.6
95.08614	9.7
97.02876	1.4
97.10180	3.3
98.06057	1.0
99.04382	1.1
99.08067	1.1
105.04517	1.1
105.07034	8.9
106.06550	3.2
107.04964	2.4
107.08595	8.9
109.06500	1.9
109.10155	5.7
111.08077	1.7
111.10480	1.1
117.07024	3.7
117.20702	1.0
118.06547	1.5
119.07333	1.0
119.08601	7.9
120.08115	8.3
121.06511	1.8
121.10164	5.7
122.09678	2.1
123.08089	2.1
123.11732	1.4
124.11273	1.8
125.09623	3.7
127.03947	1.0
129.06978	2.9
130.06490	1.9
131.08563	7.2
132.08069	1.3
133.08780	1.0
133.10100	4.7
135.08066	0.9
135.11694	3.1
136.11240	2.8
137.05965	1.6
143.08571	2.4
144.08076	1.2
145.10120	4.3
146.09622	1.5
147.06836	2.1
147.08031	1.4
147.11678	2.8
148.07539	6.1
149.09596	2.1
149.13185	1.3
154.12219	1.3
155.03378	2.6
155.08598	1.0
157.10202	3.3
159.11714	2.5
160.11212	2.6
161.09601	1.1
161.13235	1.2
162.09117	5.9
162.12784	20.4
163.11176	2.0
164.14349	2.9
165.05414	1.0
169.10077	1.3
171.11705	2.0
172.11185	1.2
173.13252	2.5
174.12807	2.4
175.09872	1.0
175.11226	1.6
175.14890	1.2
176.14351	3.1
178.12221	1.0
179.06981	1.9
180.13876	2.0
180.31357	0.8
183.06508	3.1
184.07286	1.1
185.13228	1.2
186.12830	2.5
187.13466	2.3
188.14372	2.7
189.11182	2.2
190.12228	4.6
191.17728	1.0
193.12273	3.2
201.16350	1.0
204.13846	85.6
205.14301	2.9
207.06506	3.8
214.15904	2.7
218.11736	1.1
218.15489	1.5
227.12752	3.7
229.14326	1.3
232.16994	3.0
243.21086	1.0
247.09694	1.5
260.16446	16.8
261.22144	2.0
267.15857	5.1
270.18454	1.9
272.47531	0.9
298.17920	1.3
301.25269	3.1
330.16986	3.6
335.25665	3.4
370.20087	2.9
388.21191	100.0
389.21436	5.2
406.21933	1.0
407.24289	1.3
421.25745	1.7
435.32492	3.0
453.33450	2.6
466.22339	1.2
467.35590	1.0
509.35846	1.7
527.37402	21.2
528.37531	2.2
545.38422	35.9
546.38739	1.5
559.39618	3.4
577.41229	7.0
671.93994	1.2
743.38562	5.5
775.41620	41.6
776.41406	2.7
792.40002	18.9
793.41638	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05513	21.0
57.03181	0.8
57.03440	12.9
57.07075	2.4
60.29777	0.5
61.02920	3.3
65.03946	3.1
67.05505	81.7
67.08234	0.5
69.03424	1.7
69.07070	19.3
70.62173	0.9
71.04997	1.9
71.08638	0.6
72.82379	0.5
77.03928	1.5
79.05494	48.4
81.03414	1.1
81.07058	72.3
82.07420	0.6
83.04967	1.7
83.08618	9.2
85.02912	3.2
85.06554	1.6
91.03978	1.1
91.05480	26.2
91.67532	0.5
93.07045	55.0
95.04973	6.3
95.08608	58.0
96.08942	0.6
97.02898	2.0
97.06532	3.5
97.10165	3.6
99.08103	1.4
104.88483	0.5
105.04562	2.6
105.07032	20.8
107.08598	29.5
107.13780	0.6
109.06522	1.8
109.10157	25.6
111.08092	1.4
111.11755	1.1
117.07018	7.8
119.08583	19.5
121.10150	23.6
123.08066	1.6
123.11710	9.6
125.09645	1.2
129.07018	2.4
131.08572	13.4
133.10136	15.7
135.11691	16.8
137.09619	0.6
137.13263	3.3
139.11201	1.5
143.08546	2.0
145.10127	12.0
147.11681	13.0
149.09610	0.7
149.13274	8.8
151.11258	0.9
157.10146	2.3
159.11690	10.3
161.13239	8.3
163.11203	1.0
163.14819	4.4
165.12695	0.6
171.11646	3.0
173.13257	9.2
175.14809	3.0
177.12787	0.6
177.16426	1.5
179.14363	0.6
183.11703	0.6
185.13292	2.2
187.14803	4.1
189.16379	0.8
197.13342	0.5
199.14850	1.2
201.16393	1.5
203.18100	0.9
205.15904	0.6
213.16399	0.8
215.17891	0.9
217.19446	0.6
231.21034	0.6
233.22740	0.7
241.19658	2.6
243.21086	5.3
245.22641	0.9
259.20566	7.6
260.40698	0.6
261.22144	18.0
263.23727	1.7
279.23090	0.6
291.23196	0.6
299.23898	0.9
303.19159	0.5
303.22955	0.6
313.25385	1.0
315.23102	0.9
317.24927	3.4
318.25513	0.6
333.24249	5.8
335.25803	100.0
336.26123	2.5
337.27408	11.0
341.29037	0.6
353.26791	0.7
384.34598	0.6
416.88925	0.6
487.36453	0.6
521.43781	2.6
539.44342	1.0
595.47235	14.9
596.47272	0.7
613.48242	13.2
614.48962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
60.04514	1.6
61.02909	1.3
66.92368	0.6
67.05218	0.6
67.05505	6.6
69.03437	3.2
69.07053	2.5
69.41776	1.9
70.06564	2.1
71.04982	1.2
73.02891	0.9
79.05502	3.8
80.04999	0.6
81.03420	3.0
81.07069	4.2
83.01357	0.6
83.04971	0.9
83.08620	1.4
84.08143	0.9
85.02882	1.8
86.09643	0.6
91.03959	1.0
91.05489	4.1
93.07052	3.5
94.06551	0.9
95.04939	2.4
95.08601	2.3
96.08115	0.9
97.02888	1.6
97.10164	0.9
98.94999	0.6
105.07036	2.8
106.06525	0.8
107.04969	0.8
107.08567	2.2
109.06478	1.1
109.08972	0.5
109.10132	2.2
110.06006	1.2
111.08088	0.8
116.07064	0.9
117.06976	0.8
117.20202	0.5
119.08542	1.7
119.78397	0.6
120.08166	2.8
120.08849	0.7
121.06493	0.9
121.10092	2.1
122.09663	1.1
123.08039	1.1
124.11195	1.1
129.06978	0.9
131.08540	1.9
132.08063	0.7
133.10098	2.2
134.09605	1.4
136.11182	1.9
137.09634	0.7
145.10072	1.1
146.09656	0.8
147.11644	1.0
148.07536	2.1
149.05882	0.7
149.09523	0.7
150.12712	0.8
151.07518	0.7
151.11229	0.5
152.10634	0.7
154.12178	0.7
155.03394	0.8
157.10161	1.0
162.09097	1.6
162.12791	6.9
163.11119	1.3
163.13100	2.3
164.14371	2.9
171.11751	0.7
173.11774	0.6
174.12671	0.9
176.14270	0.9
179.06987	1.0
180.13797	1.3
182.11737	2.5
183.06508	1.3
184.07481	0.6
186.12737	1.1
190.12218	2.0
190.15875	0.6
201.00394	0.6
204.13847	22.1
205.14212	7.3
206.15096	0.9
207.06500	1.2
229.14380	0.7
232.17001	2.2
243.08517	0.7
250.18080	0.9
253.14285	0.7
260.16495	5.5
261.16760	2.1
267.15909	1.6
268.16135	0.9
278.17343	1.6
283.15298	0.8
318.29980	2.0
360.21542	1.3
370.19949	0.7
388.21201	22.3
389.21542	16.9
406.22174	5.1
439.84290	0.6
483.15256	0.6
498.24435	1.6
501.23032	0.7
542.35242	0.9
549.26404	0.8
559.36176	0.6
560.36475	1.4
571.24048	1.4
631.44196	0.8
676.35986	0.6
744.38605	1.5
760.20911	0.7
775.41766	5.4
776.41986	13.7
793.37860	100.0
794.37665	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	793.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
61.02912	1.2
62.29222	0.5
67.05494	1.7
67.38479	0.5
68.05025	0.5
69.03423	2.2
69.07059	0.8
69.88139	0.9
69.88517	1.1
70.06583	0.9
71.05004	0.6
73.02919	0.6
74.85027	0.5
79.05484	1.4
80.05026	0.5
81.03417	1.2
81.07042	1.3
83.08630	0.6
85.02905	1.1
91.03924	0.7
91.05473	1.7
92.80438	0.4
93.07007	1.4
94.06584	1.1
95.04951	0.9
95.08583	0.8
97.02888	1.3
98.06002	0.4
98.22797	0.6
101.02350	0.4
105.07011	1.3
106.06550	0.6
107.04990	0.5
107.08572	0.9
109.06508	0.8
109.10124	0.9
111.08118	0.6
117.07011	0.6
118.06484	0.5
119.08554	0.9
120.08102	3.0
120.39429	0.5
121.10091	0.7
121.98558	0.5
122.09675	0.7
127.03920	0.7
131.08539	0.8
132.08041	0.9
133.06441	0.6
133.10144	0.6
134.09625	0.7
135.08038	0.6
135.11656	0.5
136.11230	2.1
139.07530	0.4
145.10170	0.5
147.07993	0.5
147.11703	0.6
148.07547	1.0
149.09593	0.7
151.07532	0.5
155.07008	0.5
160.11191	0.7
162.09135	1.6
162.12785	8.0
163.11128	0.4
163.13087	1.8
164.14366	2.0
172.11133	0.9
176.14363	0.8
179.06963	1.0
180.13837	1.2
182.11798	1.0
183.06483	0.6
184.07307	0.5
186.12764	0.9
187.13438	1.0
188.10641	0.5
188.14384	1.2
190.12251	1.8
203.09317	0.5
204.13838	22.8
205.14206	8.2
207.06512	1.2
214.15927	0.6
230.15204	0.6
232.16898	1.7
233.17206	0.6
243.08342	1.2
250.17987	1.2
260.16446	5.6
261.16757	1.9
267.81116	0.4
270.18362	0.9
278.17456	0.8
283.15292	0.8
330.16943	0.5
360.21304	0.9
370.19934	0.9
371.20483	0.6
388.21198	20.3
389.21509	14.1
406.22021	2.7
408.17331	0.7
413.17444	0.5
501.22910	2.6
533.26752	1.9
567.25043	0.6
691.32544	1.7
695.32117	0.9
705.33655	1.2
744.38434	1.2
775.41357	2.3
776.41943	12.9
793.37585	100.0
794.37909	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	793.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
61.02935	3.8
63.59401	0.4
67.05511	2.8
68.05035	0.5
69.03439	4.3
69.07077	1.2
69.49577	1.9
71.04986	1.1
73.02932	2.7
79.05500	3.8
80.05029	1.0
81.03423	4.4
81.07064	4.4
83.01332	0.5
83.05016	1.3
83.07374	1.4
83.08625	2.3
85.02913	4.7
85.06554	0.6
87.04472	0.5
89.99738	0.4
91.03963	3.3
91.05484	3.1
93.07060	3.0
94.06553	1.2
95.04962	2.5
95.08621	1.0
96.08149	1.2
97.02900	3.5
97.10190	0.9
98.09719	0.5
98.23404	0.9
99.04477	1.6
101.00031	0.4
101.02373	1.2
103.67542	0.5
105.07046	3.1
106.06585	1.4
107.04986	1.3
107.08618	1.8
108.08124	0.7
109.02885	0.4
109.06559	1.9
109.10168	0.7
110.06051	0.6
111.08089	1.5
115.03926	0.6
117.07067	1.0
119.08604	1.6
120.08092	3.8
121.06516	0.6
121.10129	0.9
123.08118	1.0
124.11259	1.0
125.09635	0.7
127.03929	2.5
129.05508	1.3
129.07027	1.0
131.08591	1.5
132.08090	0.8
133.10155	1.6
134.09668	0.7
135.11690	1.0
136.11238	1.8
138.12830	1.4
142.12320	1.5
145.10139	0.9
146.09715	1.0
147.11681	0.8
148.07579	1.8
148.11205	0.6
149.09721	0.5
152.10802	0.7
153.12698	0.7
155.03394	1.1
157.10191	0.9
159.08084	0.5
160.11301	0.7
162.09196	1.8
162.12793	7.5
163.11241	0.6
163.13121	1.5
164.14400	1.8
165.68375	0.4
173.11873	0.6
174.12770	0.6
175.11234	0.8
176.14389	1.5
178.12267	0.5
179.07132	0.5
180.10295	0.6
180.13904	0.7
181.04640	0.5
182.11850	1.4
183.06577	1.3
184.07352	0.6
185.04265	2.7
185.11775	0.6
186.12787	1.3
188.14365	1.0
190.12277	1.4
191.12912	0.7
193.12224	2.5
200.10535	0.6
201.03638	1.0
203.05304	0.5
204.13852	21.9
205.14218	6.4
206.15373	0.5
207.06563	1.1
211.13356	1.1
214.15974	0.8
216.17581	0.6
218.15512	0.5
221.11609	1.3
232.16930	2.6
233.17398	0.6
243.08380	5.8
249.11127	0.6
250.18120	1.4
251.12578	2.3
260.16489	4.2
261.16879	1.4
262.18112	0.6
267.16016	0.7
275.12741	0.9
277.14291	1.2
278.17633	1.2
289.14178	0.8
291.15781	0.8
301.08914	5.0
313.08936	0.6
315.10519	2.6
316.19135	0.6
317.08221	0.6
327.10587	0.5
330.16940	0.6
349.16382	0.9
355.14011	0.6
357.15225	0.6
360.21719	1.1
369.15121	2.3
370.20206	0.9
371.16913	2.1
373.11011	2.5
383.16861	2.0
385.18344	3.3
388.21207	22.8
389.21539	11.2
395.17047	1.1
406.22308	4.1
415.15704	0.7
429.17233	1.1
439.19397	5.3
443.18903	2.2
451.19443	1.9
457.20749	0.7
467.19012	1.8
469.20441	14.2
470.21152	0.5
498.24677	0.7
499.21710	1.2
505.28024	0.5
539.21246	1.5
541.22504	5.9
553.22314	1.1
555.24170	1.2
569.25659	0.8
583.27386	1.0
585.28503	1.4
597.28943	3.9
609.28619	0.8
611.30475	1.7
649.32275	0.9
652.30829	0.8
667.33002	9.2
678.32086	2.5
679.32867	3.1
689.31738	0.5
695.31921	2.7
696.33270	20.0
697.33435	1.6
744.39056	1.2
757.40820	0.5
775.41302	3.1
776.41925	13.1
777.42426	1.0
793.40149	100.0
794.40472	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	793.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
61.02938	4.2
64.23088	0.4
65.03942	0.5
67.05502	3.2
69.03439	3.5
69.07064	1.9
71.05003	0.9
71.33886	0.4
73.02928	2.6
74.48183	0.4
78.21986	0.3
79.05503	4.5
80.05036	0.6
81.03417	3.5
81.07057	3.3
83.01334	0.5
83.05001	0.6
83.08625	1.1
85.02901	3.6
85.06537	0.5
87.04472	0.6
91.03970	2.4
91.05489	3.2
93.07045	3.8
95.04990	1.7
95.08613	1.7
95.53964	0.4
97.02885	3.5
97.06531	2.9
97.10191	0.6
98.22675	0.7
99.04475	0.8
101.02400	1.5
103.03966	0.4
105.07037	1.5
107.04977	1.1
107.08608	2.3
109.02909	0.7
109.06529	1.1
109.10190	0.8
111.04450	0.5
111.08064	0.5
113.06087	0.4
115.37336	0.4
117.07024	0.7
119.08614	1.8
120.08091	0.6
121.06528	0.7
121.10175	1.0
123.08055	0.8
125.09637	0.7
127.03966	1.1
129.07059	0.6
131.08633	1.1
133.10176	1.8
135.08073	0.6
135.11734	1.1
137.09625	0.4
145.10173	1.3
147.07993	0.4
147.11740	0.6
148.07599	0.5
149.09639	0.5
162.12799	2.0
163.11237	1.3
163.13319	0.5
175.11119	0.5
182.11761	0.7
183.06706	0.5
184.07390	1.1
185.04295	0.9
190.12379	0.7
204.13843	5.2
205.14264	1.7
207.62511	0.5
209.11722	0.5
221.11484	0.5
232.17039	0.4
243.08359	2.0
253.95181	0.4
260.16617	1.7
261.16760	0.6
267.16052	1.1
268.16122	0.6
278.17725	0.5
283.15564	0.8
349.19870	4.1
388.21207	5.8
389.21637	3.4
405.22672	0.8
406.22244	1.4
439.19632	1.2
453.21045	0.6
461.29105	0.5
462.29739	0.7
467.18872	5.1
469.20627	0.8
567.27820	4.1
775.40552	1.3
776.42139	3.6
793.39783	100.0
794.40247	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	793.425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
57.07082	0.5
64.04266	0.4
67.05503	2.8
67.46059	0.4
68.05036	1.3
69.03431	7.1
69.07094	1.3
69.55496	0.4
70.02940	0.5
70.06590	2.1
71.04996	1.2
72.08150	0.8
79.05497	3.0
80.05032	2.2
81.03424	1.3
81.07056	3.8
82.06574	2.2
83.01346	3.5
83.04994	0.9
83.07362	2.8
83.08612	0.8
84.04527	1.4
84.08152	1.2
85.02933	0.8
86.06075	1.2
91.05486	2.7
93.05796	1.0
93.07048	2.9
94.06566	3.4
95.04968	2.6
95.08615	1.0
96.04477	0.8
96.08138	4.2
97.02890	0.5
97.08937	0.5
98.06076	1.4
98.09730	2.4
99.04500	0.7
100.11259	0.5
105.04494	0.5
105.07040	2.3
106.06539	2.2
107.04990	1.3
107.08597	1.5
108.08120	1.9
109.06555	2.1
109.10160	0.9
110.06091	0.5
110.09685	1.1
111.08078	2.3
111.10511	0.4
112.07659	0.5
112.11269	0.7
115.03936	1.7
117.07014	0.9
118.06577	1.3
118.08693	0.4
119.04988	0.9
119.07386	1.3
119.08598	1.9
120.08110	7.8
120.08896	0.8
121.06541	1.5
121.08922	0.7
121.10204	0.8
122.08926	0.4
122.09669	2.2
122.10475	0.5
123.08083	1.4
124.07608	0.8
124.11221	2.8
125.06010	0.7
125.09681	0.7
125.12032	0.6
126.09133	0.7
126.12787	4.0
127.03949	1.6
129.07042	0.8
131.08600	1.3
132.08105	1.0
133.08923	0.6
133.10167	1.0
134.09679	2.1
135.08092	2.2
136.07602	0.8
136.11221	3.9
137.06052	1.0
137.09599	3.5
138.12781	5.0
138.13741	0.6
139.07541	0.6
140.07115	0.6
140.10750	1.7
140.84113	0.5
142.12321	0.6
143.03377	0.7
143.08603	0.5
144.08113	0.9
145.10178	0.9
146.09680	1.2
147.06908	0.5
147.08070	1.3
147.11693	0.7
148.07565	2.8
148.11263	1.0
149.05986	0.9
149.09648	0.6
150.09171	0.8
150.12750	1.1
151.07549	0.7
152.10709	2.9
153.05421	0.6
154.08655	0.9
154.12323	1.5
155.03377	0.8
155.07079	0.8
157.05000	2.2
157.08928	0.5
158.09671	0.6
159.08072	0.5
160.11255	1.5
161.09647	0.6
162.09157	2.6
162.12776	18.1
163.07465	0.6
163.13100	1.0
164.10800	0.6
164.14352	3.5
165.05519	1.5
165.09164	1.2
166.08710	0.7
166.12357	1.8
167.07088	1.9
170.11754	2.1
171.08112	0.5
172.11299	1.8
173.09734	0.8
174.12831	1.6
176.10692	1.0
176.14326	3.6
178.12276	0.6
178.15939	0.6
179.07164	0.8
180.13814	1.1
181.04956	2.0
182.05341	0.9
182.11812	1.3
182.15335	0.6
183.06593	1.5
184.13362	0.7
186.12854	1.6
187.13565	0.6
188.10728	1.8
188.14392	1.8
189.09106	0.6
190.12257	3.8
190.15962	1.0
191.07077	0.8
192.13826	0.8
194.11859	0.9
200.10861	0.5
201.09221	0.5
202.12337	0.8
204.13837	22.0
204.17549	1.3
205.14149	4.6
206.15475	1.7
206.19249	0.5
207.06561	1.1
207.10184	0.7
208.13316	3.5
214.15909	3.4
215.16623	0.7
216.17473	1.0
218.15727	0.6
220.13556	0.7
222.14909	1.0
222.18520	0.7
228.13867	0.6
232.16948	7.6
233.08138	0.8
233.17456	0.6
234.14914	1.0
234.18692	0.7
242.15485	1.1
243.16092	0.9
244.17070	1.3
247.09656	0.6
248.16589	0.8
250.18007	9.3
250.20464	0.7
250.94629	0.5
260.16486	5.3
261.16919	1.6
262.18121	1.3
264.19730	0.8
273.11359	0.7
275.12845	1.3
278.17654	1.5
285.11600	0.9
293.13864	0.9
301.10907	0.6
320.18549	1.8
342.20990	0.7
359.18265	0.6
360.21707	1.2
370.20209	2.0
388.21167	31.6
389.21509	14.8
390.21793	1.5
404.20709	3.6
405.21036	4.2
406.22116	29.3
407.22665	1.4
428.20465	0.5
456.24365	0.5
494.25516	0.7
498.24878	0.8
515.52747	0.5
570.27008	0.8
717.41132	1.5
743.89581	0.4
749.43842	3.6
775.41895	3.4
776.41821	6.2
793.42670	100.0
794.42999	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	793.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.2
63.33938	0.1
67.05491	0.4
69.03433	1.6
69.07045	0.2
70.06594	1.9
71.05001	1.0
71.70839	0.1
79.05473	0.4
80.04993	0.4
81.07053	1.8
83.04971	0.2
83.07348	0.2
84.08142	0.6
91.05441	0.2
93.07029	0.7
94.06564	0.5
95.04956	0.3
95.08600	0.5
96.08132	0.6
97.02872	0.8
97.06522	0.3
97.08903	0.3
98.22598	0.3
99.04462	0.4
100.07582	0.2
103.47935	0.1
105.07021	0.5
107.08613	1.1
108.08099	0.3
109.06524	0.8
110.09677	0.4
111.08064	0.8
112.07642	0.1
119.08570	0.3
120.08139	0.1
121.06506	0.2
121.10131	0.1
122.09626	1.3
123.04446	0.2
123.08061	0.4
124.08842	0.4
124.11224	0.4
125.05996	0.5
126.09153	0.1
128.07086	0.4
131.08531	0.2
133.10129	0.2
134.09647	0.4
135.08052	0.3
136.11214	1.1
137.05980	5.0
140.04602	0.1
145.10124	0.3
146.09639	0.2
147.08110	0.2
148.11206	0.2
150.09123	1.6
152.10704	0.6
154.12291	0.9
162.12805	0.7
164.10762	0.1
164.14352	0.4
166.15919	1.1
168.10219	1.5
180.10287	0.2
182.11766	2.4
183.12157	0.3
184.13348	0.4
190.15916	0.2
192.17514	0.2
194.15378	0.9
198.11292	0.2
203.10678	0.2
204.13837	0.2
218.15379	0.2
221.11702	1.2
222.14886	0.3
234.14870	0.3
236.16432	4.3
250.17926	0.1
264.19534	1.5
275.12808	0.2
278.17651	0.3
292.19019	2.2
293.19547	0.2
316.19046	1.6
326.42462	0.1
332.89792	0.2
357.85788	0.1
362.23175	0.3
372.21756	0.2
374.18829	0.1
388.21146	1.2
389.21503	2.0
390.22714	100.0
391.23053	4.0
401.30481	0.1
404.20657	10.4
405.20761	0.9
406.21521	0.2
468.05508	0.1
499.99268	0.1
597.33582	0.2
635.52063	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	793.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.8
67.05497	2.5
68.05023	1.7
69.03430	5.5
69.07075	0.6
71.04996	0.8
79.05486	1.8
80.05016	1.2
81.03419	0.7
81.07062	1.6
82.06589	1.4
83.01329	1.1
84.51751	0.6
86.06055	1.1
87.29361	0.5
91.05465	1.4
93.07037	1.2
94.06543	1.3
95.04964	1.0
96.08141	0.9
98.06022	0.5
98.09724	0.9
99.04459	1.2
100.07613	1.4
105.07040	1.2
106.06559	1.1
107.04941	1.5
108.08116	0.6
109.06469	0.9
110.09686	3.6
112.07607	0.8
114.12823	1.2
117.06992	0.8
118.06575	1.5
119.04915	0.6
119.08624	1.3
120.08128	1.6
120.08926	0.6
121.06517	1.3
123.08083	0.9
124.11215	5.6
127.03915	2.0
128.10684	0.7
129.07018	0.6
130.06540	0.8
134.09651	1.3
135.08102	0.9
136.07593	0.5
136.11197	2.1
137.05980	0.7
137.09601	1.0
138.09145	2.4
138.12787	1.9
141.05412	1.2
142.12280	7.5
146.09674	1.8
147.07985	0.6
148.07578	0.9
150.09146	1.0
152.10680	0.9
154.12273	1.5
155.03444	1.4
155.07076	1.4
156.13933	0.7
159.08105	1.0
162.12747	3.2
163.07507	0.9
163.13110	0.8
164.14389	0.8
165.05457	2.1
165.09119	1.0
167.07042	1.0
171.08043	0.6
172.11229	0.9
173.06010	0.7
173.09613	0.6
175.07545	1.0
176.14340	1.2
179.07057	1.2
181.08640	0.7
183.06584	3.7
188.10732	0.8
188.14268	0.8
189.09085	0.8
189.15036	1.0
190.12192	0.7
190.15926	0.8
204.13835	13.5
205.14163	5.2
207.06461	1.2
216.17496	1.4
220.13187	0.8
221.08131	0.6
233.17297	0.7
235.07690	0.6
242.15419	1.1
244.16867	0.9
247.09692	4.3
249.11176	2.9
260.16470	2.5
261.16882	1.5
262.11554	0.7
271.09836	0.7
273.11206	2.3
274.11465	1.5
275.12683	1.1
276.12363	3.6
278.17633	0.8
292.15350	0.8
332.18661	0.7
370.20081	0.8
372.21625	3.0
388.21222	21.5
389.21503	17.7
390.22733	100.0
391.23026	4.4
404.20676	60.2
405.15430	0.8
405.21024	55.2
406.21664	55.7
407.22052	1.2
765.13861	0.6
776.41888	3.4
793.42780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05061	0.5
57.03466	0.5
57.07112	0.3
58.06629	0.3
65.72770	0.2
67.01905	0.3
67.05514	1.4
68.05029	1.6
69.03428	5.1
69.07101	0.4
69.34736	0.4
69.35123	0.6
70.06625	0.5
70.94308	0.2
71.05025	0.5
71.08676	0.8
79.05489	1.1
80.05072	0.9
81.03448	0.3
81.07107	1.0
82.06635	0.8
83.01402	0.9
83.05065	0.3
83.07445	0.2
84.08198	0.4
86.06129	1.0
91.05486	1.3
93.05825	0.3
93.07098	0.9
94.06570	1.4
95.05029	0.9
95.08626	0.4
96.04535	0.2
96.08156	0.7
98.09715	0.4
98.22649	0.4
99.04490	0.4
99.08131	0.4
100.07693	0.8
105.07090	1.0
106.06576	0.6
107.04974	0.6
107.08636	0.5
108.08176	0.6
109.06582	0.9
110.09679	2.5
111.10500	0.5
112.07649	0.6
112.11349	0.3
114.12806	1.9
116.65051	0.2
117.07081	0.6
118.06615	0.6
119.04949	0.3
119.08639	0.6
120.08173	0.7
121.06567	0.9
121.10190	0.2
122.09732	0.7
123.08122	0.6
124.11221	5.2
125.06010	0.3
126.09176	0.4
127.03985	0.9
128.06290	0.3
129.07063	0.5
129.58495	0.2
131.08667	0.6
132.08136	0.5
133.06581	0.6
134.09698	0.5
135.08078	0.5
136.05217	0.3
136.07669	0.5
136.11237	1.3
137.06061	0.6
137.09691	0.3
138.09135	1.8
138.12856	0.7
139.07620	0.4
140.10760	0.4
141.05656	0.3
141.06976	0.3
142.12273	8.1
142.13332	0.4
143.08626	0.6
145.06552	0.6
145.10149	0.4
146.09648	2.3
147.06966	0.3
147.08151	0.5
147.10394	0.3
148.07631	0.5
149.06024	0.6
149.08505	0.2
149.09729	0.5
150.09224	0.6
151.03947	0.5
151.07610	0.4
154.12346	0.7
155.03485	0.7
155.07069	1.5
155.08321	0.2
156.13927	0.8
159.08128	0.6
160.08913	0.2
160.11293	0.6
161.09674	0.5
162.09142	0.3
162.12767	2.0
163.13152	0.3
164.10783	0.3
164.14391	0.4
165.05492	1.5
165.09169	0.4
167.07103	1.0
171.08142	0.4
172.11290	0.7
173.06085	0.5
173.09752	0.4
174.12852	0.6
175.07605	0.3
176.10794	0.3
176.14488	0.6
177.09198	0.4
179.07123	0.6
181.08716	0.8
182.11893	0.3
183.06526	2.2
183.07974	0.3
186.12811	0.3
187.07574	0.4
188.10759	0.5
188.14381	0.9
189.09142	0.3
189.15111	1.2
190.16031	0.7
192.13913	0.4
195.08080	0.3
201.09276	0.3
202.12326	0.4
203.10931	0.3
204.13840	4.7
204.15762	0.3
204.17529	0.3
205.08662	0.5
205.14157	2.1
206.15433	0.9
207.06612	1.0
214.16031	0.3
216.10329	0.3
216.17517	1.2
217.08597	0.3
230.15446	0.2
231.10254	0.5
232.17023	0.4
233.08128	0.5
242.15477	0.6
244.09795	0.4
244.16930	1.1
247.09630	2.9
249.11198	2.5
250.18030	0.3
260.16553	0.9
261.11130	0.3
261.16782	0.5
263.09161	0.4
271.09445	0.3
273.11163	1.8
274.11664	0.4
275.12854	0.4
276.12308	3.7
287.11929	0.2
292.15390	0.8
314.17642	0.4
328.23056	0.3
332.18661	0.7
360.21658	0.4
368.18643	0.2
372.21738	3.0
375.20447	0.3
376.25064	1.3
388.21182	7.0
389.21481	5.8
390.22726	100.0
391.23074	4.1
404.20660	36.7
405.20993	10.9
405.26440	0.4
406.21716	11.9
407.22195	0.4
729.91644	0.4
776.40863	1.0
793.42456	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	793.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
67.05502	0.8
69.03436	0.2
69.07076	0.2
70.06592	0.7
71.04999	0.1
71.46149	0.1
71.62322	0.1
79.05483	0.6
80.05022	0.3
81.07066	0.7
82.06574	0.4
84.08144	0.9
91.05466	0.4
93.07045	0.5
95.08611	1.3
96.08115	1.0
97.02898	0.4
97.08912	0.4
98.09730	0.1
99.04446	0.1
105.07024	0.3
105.40217	0.1
107.08585	0.6
108.08113	0.4
109.06483	0.2
109.08892	0.1
109.10141	0.3
110.09655	0.8
111.10461	0.2
112.07629	0.1
117.07005	0.1
119.08577	0.4
120.08105	0.3
121.10141	0.5
122.09678	1.2
123.08046	0.4
123.10448	0.3
124.11248	0.9
125.05969	0.2
126.09206	0.1
126.12812	0.5
131.08554	0.2
133.10089	0.2
134.09639	0.5
135.08012	0.2
135.11658	0.2
136.11211	2.9
137.11980	0.4
138.12779	1.1
140.14320	0.2
142.08672	0.2
143.08621	0.2
145.10075	0.3
147.11685	0.2
148.11200	0.3
149.12004	0.1
150.09154	1.0
150.12794	1.0
151.13553	0.5
152.10663	0.2
152.14381	0.2
159.11693	0.2
160.11227	0.3
161.09558	0.1
162.12744	1.2
163.14816	0.2
164.14351	0.9
168.10208	1.1
176.14337	0.5
178.15918	1.5
180.17462	3.1
180.18925	0.2
181.04997	0.4
182.11748	0.4
184.13297	0.2
190.15868	1.0
192.17493	0.7
193.18262	0.2
204.17456	0.8
206.19041	2.3
210.14871	0.2
216.13794	0.1
218.15369	0.2
220.13451	0.1
222.14867	0.5
234.14830	0.7
235.15659	0.1
236.16431	3.1
238.18140	0.3
248.16362	0.3
250.18037	0.6
260.16534	0.1
262.17755	0.2
264.19461	0.6
274.18033	0.7
276.19577	1.3
278.21213	0.2
282.78006	0.1
302.21140	2.8
303.21091	0.1
312.23376	0.2
330.24323	0.2
332.26178	0.1
335.72916	0.1
348.25491	0.4
358.23553	0.7
376.24796	100.0
377.25140	4.0
378.25412	0.4
415.14035	0.2
451.71811	0.1
483.57135	0.1
793.45673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35025	0.6
65.03944	3.6
66.92415	0.6
67.05488	1.3
69.03431	1.8
70.06587	1.0
78.04707	0.9
79.05505	3.7
81.03411	1.9
81.07052	1.8
82.04183	0.9
84.08140	0.7
85.02913	3.3
91.05476	4.9
93.03411	1.3
93.07056	0.8
94.04202	0.7
95.04965	2.9
95.08630	0.7
97.02876	0.6
97.06542	1.4
98.22713	1.3
102.04712	0.6
103.05466	15.3
105.03379	1.7
105.04521	0.6
105.07039	6.4
106.04204	1.3
107.04960	7.7
109.06499	1.5
109.68970	0.5
110.03677	1.1
110.09695	0.7
111.04465	0.8
115.05453	4.5
117.07025	4.3
118.04169	4.7
119.04951	4.3
119.08615	0.7
120.05740	1.0
121.06511	1.6
122.03626	0.7
123.04433	3.3
124.05201	1.5
125.05977	2.5
129.06972	1.9
130.04126	1.6
131.04929	17.8
132.05678	1.6
133.02861	3.6
133.06496	8.2
134.03606	1.0
135.08049	1.6
136.11243	1.3
137.05978	8.4
138.03101	1.2
138.12723	2.7
139.03856	0.6
139.07506	0.6
139.13060	0.7
140.04652	0.6
141.06999	0.8
143.04958	1.4
143.06018	0.8
144.05690	1.8
145.06485	5.7
146.03683	0.8
146.07227	0.9
147.04396	4.9
147.08043	2.3
148.05188	8.3
149.05959	2.2
151.03937	2.9
151.07539	1.8
152.04634	1.6
153.05467	4.8
155.05969	0.9
155.07114	0.6
157.06502	1.7
159.08072	2.3
160.05283	1.0
161.05975	10.1
162.06770	1.3
163.07542	18.3
165.05461	2.3
165.09099	1.4
167.07033	56.5
168.07431	0.9
171.04387	0.8
171.06526	3.2
171.07841	0.6
173.05978	6.6
174.06766	0.9
175.07530	4.4
176.04671	2.7
177.05446	2.2
177.09164	0.9
179.07048	5.3
179.08476	0.9
181.04948	74.6
182.05263	0.9
183.06548	0.8
186.06750	0.8
187.03947	0.5
187.07516	4.1
189.05516	0.9
189.09056	1.0
190.06248	1.1
191.07025	100.0
192.07442	1.7
193.04999	1.0
193.08597	3.4
195.06494	4.3
201.05473	1.2
203.07045	3.9
204.07872	0.6
205.08586	5.7
207.06543	1.8
207.10213	1.9
209.08093	4.0
217.08545	4.2
218.07378	0.9
219.08195	1.0
219.10149	6.7
219.76607	0.6
220.07256	0.8
221.07994	0.9
222.21100	0.5
225.07420	2.7
229.08586	0.7
231.06512	1.0
233.08046	7.0
234.06720	0.6
235.07457	2.1
235.09653	7.8
236.08264	0.7
237.09163	0.7
241.08864	0.8
245.08089	2.9
251.09172	0.8
252.07797	0.8
255.10243	1.0
257.08176	1.1
262.15344	0.6
263.09152	40.9
264.07639	0.9
265.08292	0.9
265.10724	1.6
267.10117	4.0
269.11783	0.7
271.09540	0.8
278.09375	0.6
279.10098	1.3
282.28873	0.7
283.09735	0.8
293.07996	0.7
295.09671	2.0
297.11224	2.5
305.08109	0.6
307.09680	1.2
309.07556	0.7
309.11026	0.7
311.12576	0.8
313.10608	0.8
323.09259	0.7
324.09796	0.8
325.10623	4.1
327.12064	1.0
329.10107	0.8
329.13785	0.8
331.11716	1.7
337.10614	1.7
339.12253	1.6
344.12683	1.0
353.09955	0.8
353.14093	1.0
355.11670	0.8
357.13364	8.5
359.15097	0.7
365.14194	0.7
367.11813	3.0
369.13293	2.7
371.14954	1.1
374.23318	6.9
375.23663	7.5
376.23999	6.6
377.24460	1.3
381.13245	1.1
385.12814	16.6
385.17798	0.9
386.12927	0.8
387.14261	2.3
389.15826	1.1
399.14410	6.6
409.22519	0.6
412.18723	1.6
413.15952	1.0
417.15433	40.3
418.15784	1.7
547.19055	1.5
579.22314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71251	0.4
61.02918	0.4
65.03934	2.4
67.05507	1.0
69.03436	1.3
70.06609	0.7
71.04999	1.5
75.04475	2.2
77.03935	0.8
78.04710	1.0
79.05491	2.6
81.03412	2.3
81.07085	0.8
83.08685	0.3
85.02906	4.6
89.03918	0.6
89.06046	0.4
90.48757	0.3
91.05475	6.5
91.05982	0.6
93.03398	6.5
93.07045	3.4
94.04204	0.9
94.06570	0.5
95.04958	4.5
97.02910	1.0
97.06559	1.8
103.05465	14.7
105.03387	0.9
105.04532	1.2
105.07024	3.5
106.04174	12.0
107.04966	4.2
107.08614	0.5
108.02119	1.0
109.02876	0.8
109.06528	1.2
110.03671	0.5
111.04441	0.9
111.08102	0.5
112.07605	0.4
115.05455	2.2
117.03369	1.1
117.07018	2.2
118.04167	2.6
119.04954	1.4
119.08562	0.6
120.05742	0.6
120.08083	0.7
121.06500	14.6
122.03659	2.3
123.04414	1.8
123.08057	0.5
124.05244	0.5
125.05976	4.7
127.03951	1.1
127.07568	0.4
128.06277	0.6
129.07024	0.8
130.04167	0.7
131.04929	23.0
131.08582	0.6
133.02884	1.1
133.06494	3.0
134.03600	2.3
135.04396	1.1
135.08047	1.4
137.05972	41.6
138.06476	0.4
138.12827	0.4
139.07535	1.9
141.05421	0.6
142.12157	0.4
143.04924	1.1
144.05609	0.4
145.02869	0.7
145.04915	0.5
145.06485	2.9
146.03619	0.8
146.07275	0.4
147.04445	0.8
147.08055	0.5
148.05186	7.1
148.07579	0.4
149.05977	25.4
151.03905	47.2
151.04993	3.6
151.07457	1.6
153.05405	2.1
153.09103	6.7
155.03407	0.4
155.07060	0.8
157.06461	0.8
159.04424	0.7
159.08066	0.5
160.05212	0.8
161.05988	1.9
162.07703	0.8
162.12794	1.0
163.03941	2.4
163.07541	14.8
163.13074	0.6
164.14366	0.6
165.05470	2.9
166.06236	0.9
167.07043	7.6
171.04337	0.9
171.06540	0.9
173.05974	3.0
174.06763	0.7
175.07516	3.3
175.14711	0.4
176.04689	1.2
177.05463	15.4
177.09012	0.6
179.07028	0.9
181.03285	0.5
181.04958	12.8
181.08572	13.2
183.06508	0.4
187.07544	2.0
189.05455	0.9
189.09109	1.2
190.06291	0.7
191.07022	52.1
192.07480	1.4
193.04932	0.8
193.08614	2.7
195.06625	2.0
195.08095	0.5
199.07590	0.5
201.05284	0.5
203.06912	2.2
204.13811	4.9
205.06749	0.6
205.08537	2.1
205.14156	2.7
207.06514	1.1
207.08237	0.6
207.10162	1.0
209.08078	100.0
210.08499	2.0
215.07036	0.4
217.08611	1.0
219.10147	1.2
221.08023	0.6
223.09564	0.8
225.09044	0.4
231.06346	0.5
233.06035	0.6
233.08014	1.8
234.06789	0.7
235.07550	0.5
235.09602	2.2
237.09114	1.0
249.09082	0.8
251.06886	0.5
259.09573	0.5
260.01355	0.4
260.16550	0.7
263.09167	9.5
265.08524	1.1
266.09354	0.4
267.10211	0.7
277.08585	1.1
283.09662	0.6
295.09579	0.6
297.11044	0.6
307.09784	0.5
309.11157	0.5
314.11627	0.4
323.08945	0.4
325.10638	0.8
327.12207	1.2
329.13776	1.2
331.24762	0.4
337.10660	0.8
339.12088	0.6
341.13818	0.5
351.12268	0.6
355.11761	3.7
357.13205	1.0
359.14758	0.7
365.66144	0.4
369.13202	2.8
371.14801	0.4
387.14346	23.0
388.14926	0.7
388.21030	4.9
389.21451	6.0
390.21851	2.4
405.20566	0.5
406.21552	0.5
406.26157	0.8
407.22314	0.6
417.15433	0.7
547.19080	0.5
567.21985	0.4
579.22351	1.7
711.15009	0.4
776.41083	1.5
777.41949	2.3
794.42535	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	794.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	1.8
69.03407	1.6
69.07067	1.8
69.33640	3.6
69.34044	2.0
79.05505	2.6
81.07041	4.2
83.04972	4.7
83.08614	3.4
85.02894	2.6
89.00717	1.2
91.05476	1.8
93.07041	2.9
95.04965	4.6
95.08606	3.2
97.06529	5.4
99.08096	1.0
105.07037	4.6
107.08604	5.9
109.06525	8.4
109.10182	8.0
111.08081	2.7
115.07553	3.0
119.08559	3.0
121.10133	4.2
123.08123	1.3
123.11723	1.6
125.09588	1.7
131.08514	2.4
133.10143	10.1
135.08038	1.2
137.05945	1.6
137.34473	1.0
145.10202	1.3
147.11668	3.5
149.13281	2.7
151.11154	6.7
151.61322	1.2
153.09109	2.5
163.14751	1.6
165.12784	1.8
167.14330	7.3
173.13274	9.9
175.14828	4.1
191.14328	10.4
209.15373	100.0
210.15724	2.8
220.85678	1.1
227.16425	27.3
232.13400	1.2
390.22638	7.9
391.23050	3.8
404.20764	6.1
405.20975	6.2
406.18030	3.2
407.18140	2.2
436.23788	1.6
489.26785	1.1
666.85120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	0.6
57.03443	0.6
60.83995	0.4
61.02928	1.3
67.05505	1.4
67.28304	0.5
69.03434	1.0
69.07079	1.1
69.64803	1.6
70.06606	0.6
71.05007	0.8
73.02891	1.0
74.51535	0.4
79.05495	1.8
81.03423	1.6
81.07057	2.3
83.04977	1.0
83.08628	0.7
85.02924	1.4
91.03964	1.0
91.05489	1.6
93.07062	1.5
93.82065	0.4
95.04981	1.0
95.08604	1.1
97.02913	1.2
99.04480	0.6
101.02422	0.5
102.21342	0.4
105.07045	1.3
107.08589	0.6
109.06567	0.4
109.10216	0.5
119.08595	0.7
121.06566	0.4
121.10130	0.7
127.27734	0.4
129.06995	0.4
133.10207	0.7
147.11705	0.6
147.50858	0.4
149.02393	1.3
149.09607	0.4
162.12833	0.4
164.14116	0.4
182.62491	0.4
184.07346	0.7
186.18356	0.4
193.05037	0.5
193.12288	0.8
200.20097	0.7
204.13823	1.1
205.14265	1.1
206.11687	0.4
213.67790	0.5
239.98276	0.4
243.08363	1.2
267.09140	1.2
269.10538	0.5
285.10126	1.2
319.21533	0.5
388.21277	0.6
389.21750	1.1
390.22131	0.7
422.49994	0.4
467.18634	0.6
469.20300	0.9
485.17441	0.7
487.21783	0.7
531.25458	0.7
551.28961	0.8
567.25543	0.7
750.50134	0.5
777.40759	1.8
778.41858	0.7
795.39697	100.0
796.40002	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	795.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
57.41302	0.2
61.02933	1.2
61.99842	0.2
63.46267	0.2
67.05514	1.4
69.03436	1.1
69.07069	0.5
69.26882	1.0
69.27296	0.7
70.06579	0.3
71.05006	0.4
73.02921	0.9
78.94981	0.2
79.05500	1.2
79.58356	0.3
81.03414	1.2
81.07039	1.4
83.08586	0.3
85.02911	1.5
85.06529	0.3
88.07635	0.5
91.03953	0.8
91.05482	1.2
93.07061	1.1
93.49233	0.2
95.04981	0.6
95.08610	0.6
97.02911	1.1
97.93539	0.3
98.86423	0.2
101.02381	0.5
102.09209	0.4
105.07053	0.8
107.08611	0.7
109.10155	0.5
115.84505	0.2
117.06972	0.4
121.10155	0.7
123.08041	0.3
127.03933	0.6
131.08569	0.3
131.47121	0.2
133.10133	0.6
134.69568	0.3
135.11713	0.4
136.41496	0.3
142.12291	0.4
143.70721	0.2
147.11644	0.4
149.02377	1.2
150.02686	0.5
162.12863	0.4
184.07544	0.3
193.05022	0.7
200.20108	0.9
204.13788	0.4
243.08528	0.9
267.09064	0.6
268.25717	0.3
285.10202	0.5
291.19391	0.3
309.10245	0.4
331.18872	0.5
332.69766	0.3
388.21173	0.4
389.21811	0.8
390.22052	0.5
443.19003	1.0
467.18973	0.5
469.20572	1.1
485.17465	1.2
487.21408	1.5
549.26660	0.9
551.28461	0.3
567.25238	0.5
693.34570	1.7
705.38086	0.9
707.36127	0.9
777.40479	1.2
795.39819	100.0
796.39734	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	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
61.02930	4.1
65.71416	0.3
67.05499	3.2
69.03433	3.8
69.07076	1.7
70.95676	0.4
71.01369	0.3
71.04990	1.5
73.02916	3.9
75.04514	0.3
79.05491	3.7
81.03416	4.3
81.07063	3.4
83.04993	0.9
83.08619	0.9
85.02904	5.2
85.90152	0.3
91.03962	2.8
91.05493	3.6
93.07042	2.3
95.04984	2.6
95.08634	1.0
97.02888	4.1
97.06546	3.1
99.04464	1.0
101.02390	1.8
105.07005	1.7
107.04948	0.6
107.08624	1.3
109.06596	0.4
109.10178	0.6
111.08119	0.8
117.07042	0.7
119.08572	1.9
119.85753	0.3
121.10170	1.3
123.08073	0.4
124.72680	0.3
127.03925	1.0
129.07014	0.8
131.08594	0.7
133.10193	1.4
135.08049	0.3
135.11751	0.5
137.05792	0.6
145.05002	0.4
147.11731	1.1
149.09671	0.3
149.13240	0.5
157.10194	0.8
165.12762	0.4
175.11226	0.5
185.04291	0.5
193.12328	1.3
211.13332	0.5
224.04451	0.3
235.88759	0.3
243.08441	2.5
251.12668	0.9
269.12863	0.3
273.37833	0.3
307.15109	0.4
319.18726	0.6
349.19885	7.1
405.22516	0.8
439.19534	1.7
453.21240	0.8
469.20499	8.8
506.21436	0.4
541.22217	0.3
567.27710	5.4
567.35876	0.4
568.28296	0.7
795.41351	100.0
796.41766	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	795.417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.5
57.03444	1.5
59.51606	0.3
59.74046	0.3
61.02930	4.0
63.06026	0.3
65.03938	0.7
67.05508	3.2
69.03435	2.7
69.07080	1.5
69.46776	0.9
69.47171	0.5
70.06600	0.6
70.57510	0.4
71.01356	0.7
71.04998	0.7
73.02919	3.3
79.05494	3.7
81.03420	2.9
81.07067	4.2
83.04999	0.6
83.08633	0.7
85.02905	3.5
91.03977	1.5
91.05480	3.1
93.07047	2.9
95.05001	1.5
95.08588	2.1
97.02898	3.2
97.06550	1.2
99.04464	1.1
101.02411	1.4
103.03979	0.5
105.07040	2.1
107.04972	0.4
107.08627	1.8
109.02892	0.8
109.06541	0.9
109.10182	0.7
111.08107	0.9
115.03953	0.5
117.07055	0.7
119.08621	1.4
121.06502	0.5
121.10140	2.2
125.09698	0.4
127.03934	1.4
129.07039	0.8
131.08589	1.0
133.10149	2.4
142.12291	0.6
144.47617	0.4
145.10132	0.9
147.11731	0.9
149.02342	0.8
149.09668	1.2
157.10126	0.7
162.12790	0.7
163.11166	0.5
163.13115	0.4
175.11200	0.8
185.04227	0.6
193.12349	1.4
200.20047	0.4
204.13930	1.6
205.14270	1.2
243.08444	2.3
249.11111	0.4
251.12642	0.7
269.13724	0.7
301.09042	0.8
306.57864	0.4
313.17807	0.5
315.10483	0.5
331.18796	1.1
346.77866	0.4
388.21237	1.2
389.21609	0.8
390.21857	1.0
391.21982	0.5
407.22882	0.5
413.17953	0.5
443.18799	3.2
451.19330	0.5
469.20569	1.4
485.19519	0.6
487.21463	4.0
531.25836	1.1
535.29492	0.5
549.27014	1.2
551.28693	1.0
559.23993	0.9
667.78973	0.5
693.34583	0.6
697.34174	0.7
705.37610	0.8
751.39673	0.5
777.40247	4.8
778.42175	1.7
795.41028	100.0
796.41461	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	795.415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
61.02925	4.4
61.15153	0.4
65.03945	0.9
67.05504	3.8
69.03422	3.3
69.07056	2.2
69.11763	0.8
69.12168	1.7
70.06612	1.6
71.01367	0.6
71.05016	0.9
71.08649	0.4
72.90304	0.3
73.02921	3.5
73.37984	0.4
75.43785	0.4
77.93906	0.4
79.05499	3.6
81.03415	3.5
81.07050	3.9
83.05011	1.2
83.08629	1.2
85.02904	3.9
86.09727	0.5
88.07610	1.9
91.03944	2.8
91.05482	3.1
93.07027	2.8
95.04996	1.6
95.08637	1.7
97.02888	3.9
97.06551	1.1
97.10197	0.7
99.04467	0.8
101.02362	1.8
102.09195	0.9
103.03938	0.4
105.07036	1.9
107.04997	0.7
107.08577	1.9
108.05338	0.3
109.02901	0.9
109.06566	0.8
109.10144	1.0
111.04449	0.6
111.08111	0.8
117.07059	0.6
119.08616	1.3
121.10127	1.7
123.08086	0.4
125.09625	0.6
127.03971	1.1
129.07065	0.7
131.08569	0.9
133.10170	1.3
135.11772	1.0
143.08482	0.5
145.10181	1.0
147.11731	0.6
149.02351	5.4
149.09665	0.9
150.02727	0.9
156.07364	0.4
157.10255	0.4
163.11267	0.5
175.11264	0.6
184.07306	1.7
185.04330	0.7
185.13884	0.4
192.28728	0.4
193.04936	2.2
193.12398	0.7
194.05379	0.5
200.20044	3.2
201.20540	1.1
203.05289	0.5
204.13942	0.5
223.13460	0.4
243.08357	3.0
251.12630	0.5
259.07950	0.5
267.16068	0.8
269.13815	0.6
283.15341	0.5
291.19791	0.5
301.09155	0.8
331.18869	1.0
333.20755	0.6
343.03253	0.4
363.32507	0.4
371.16812	0.5
389.22101	0.5
390.22302	0.5
413.17856	0.5
439.19406	0.6
441.17609	0.4
443.18799	3.3
453.21030	0.4
465.21368	1.2
467.18784	2.1
469.20346	2.5
485.19949	1.5
487.21512	3.3
530.72675	0.4
549.26721	2.8
551.28308	2.4
567.25360	0.5
622.16412	0.9
693.34442	7.6
705.38599	1.0
707.36157	4.0
751.38660	0.6
777.40533	2.9
778.41815	0.6
795.41022	100.0
796.41284	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	795.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	0.3
61.68805	0.3
63.21010	0.3
69.46169	0.8
69.46553	0.7
71.51662	0.4
81.07050	0.3
87.04470	0.4
87.26874	0.3
118.50514	0.3
214.55748	0.4
225.78481	0.4
246.91020	0.4
299.12686	0.4
485.74722	0.3
517.20831	0.3
535.27332	0.6
601.21667	0.4
645.60577	0.4
691.40051	2.7
795.42865	100.0
796.43140	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	795.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	0.3
69.41188	1.2
69.57137	0.3
70.06590	100.0
71.06917	0.8
79.44166	0.3
98.06051	54.3
99.06351	0.4
116.07091	14.4
118.28132	0.3
126.05509	44.9
127.05874	0.6
151.12288	3.2
165.10289	1.0
167.11797	10.8
177.10194	0.3
179.11771	1.4
195.11287	23.2
196.11674	0.4
213.12328	56.5
214.12674	0.8
223.10814	0.6
231.15002	0.3
246.36687	0.3
264.17151	1.2
292.16528	2.4
310.17584	25.8
311.17953	0.7
361.22534	0.6
389.21921	0.5
395.46936	0.3
407.22879	46.0
408.23236	1.7
458.27652	0.5
486.26791	0.4
504.28140	7.2
601.33417	45.4
602.33722	2.2
698.27863	0.4
698.38416	1.7
795.43958	11.2
796.44061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.439
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05038	0.5
70.06590	100.0
71.06924	0.6
72.33250	0.3
72.64401	0.2
73.97714	0.2
98.06052	54.7
98.23415	0.7
99.06394	0.4
116.07089	13.5
126.05511	45.9
149.10736	0.3
151.12309	2.2
165.10269	0.7
167.11795	10.5
168.12218	0.3
177.10263	0.5
179.11835	1.0
195.11285	23.8
205.81396	0.3
213.12334	52.6
214.12682	1.0
223.10957	0.4
246.36275	0.3
264.17108	1.0
270.90381	0.3
292.16519	2.3
310.17587	23.2
311.18188	0.3
361.22418	0.7
389.21765	0.5
407.22876	50.9
408.23068	1.5
418.22397	0.6
486.26822	0.4
504.28174	6.9
529.11792	0.3
552.58722	0.3
601.33423	47.7
602.33777	2.8
698.38605	1.8
795.44073	10.6
796.43573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.4
69.03068	0.2
69.03430	3.0
70.06592	1.8
71.04628	0.2
71.04992	2.0
79.05483	0.5
80.05022	0.5
81.07052	0.6
83.04988	0.2
84.08138	0.6
85.06566	0.3
86.06059	0.2
91.05479	0.4
93.07052	0.6
94.06560	0.4
95.04969	0.3
95.08609	0.4
96.08121	0.5
97.06549	0.2
97.08917	0.1
99.04458	1.7
100.07597	0.2
105.07014	0.4
107.08584	0.4
108.08128	0.2
109.06561	0.2
109.10152	0.3
110.06006	0.1
110.09674	0.4
111.08087	2.5
111.08833	0.2
117.06972	0.1
119.08595	0.5
120.08121	0.2
121.10134	0.3
122.09674	1.1
124.07571	0.2
124.11237	0.3
125.06007	0.5
125.09621	0.3
126.09214	0.1
128.07120	0.5
133.10172	0.2
134.09651	0.4
135.08017	0.2
136.11243	0.8
137.05992	0.3
137.09663	0.2
138.09157	0.1
139.07539	2.9
145.10129	0.2
147.11615	0.1
149.09612	0.2
150.09148	1.2
152.10704	0.5
153.09108	0.2
154.12262	0.8
155.06946	0.1
160.11217	0.2
162.12772	0.3
164.10687	0.1
164.14372	0.2
168.10216	1.4
171.11659	0.1
175.11186	0.2
176.14348	0.1
177.12747	0.3
180.10164	0.3
182.11745	2.1
183.11899	0.1
184.13345	0.4
186.13148	0.1
188.14340	0.1
195.13818	1.2
196.13322	0.2
198.11316	0.4
206.11938	0.1
220.13400	0.2
221.11745	0.2
223.13263	1.4
223.15224	0.1
234.14822	0.2
236.16440	0.3
262.18130	0.3
264.19507	0.2
275.12662	0.1
292.19070	0.4
294.20544	0.3
318.20605	1.1
319.20770	0.1
322.19989	0.2
327.31943	0.1
338.58026	0.1
374.23373	0.4
376.21082	0.4
390.17728	0.1
390.22726	2.3
391.23062	3.4
392.24277	100.0
393.24646	3.2
404.20667	10.9
405.20950	0.8
406.21442	0.2
420.20172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.45
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
57.07092	0.4
59.05025	0.5
60.18266	0.3
61.02927	4.3
61.28337	0.3
67.05505	2.9
69.03435	2.2
69.07083	1.2
70.06608	1.0
71.05016	1.0
73.02924	2.9
79.05505	4.0
81.03427	3.3
81.07059	2.8
83.08642	1.1
85.02908	3.4
85.06567	0.5
91.03969	2.7
91.05476	3.1
93.07051	3.8
95.04977	1.6
95.08605	1.8
97.02893	3.5
97.06583	0.7
99.04472	0.9
101.02425	1.5
105.07034	2.9
107.08607	2.4
109.02924	0.8
109.10219	0.6
117.07081	0.5
119.08596	2.2
121.10145	1.6
125.98311	0.3
127.03966	1.1
129.05489	0.4
129.07025	0.7
131.08601	1.2
133.10184	1.5
135.11708	0.6
147.08034	0.4
147.11742	1.5
149.09688	1.1
157.10196	0.7
175.11256	0.6
185.04225	0.5
193.04631	0.3
193.12354	1.4
203.05383	0.4
217.15968	0.3
225.14937	0.5
243.08371	2.9
253.14235	0.4
259.20718	0.4
266.10748	0.4
267.15894	0.9
270.90787	0.3
283.15112	4.2
301.09027	1.3
309.17224	0.4
315.10721	0.4
317.20938	0.5
339.17938	1.2
397.18341	0.5
427.19263	0.3
441.21335	0.5
451.19800	0.4
465.21179	0.6
469.20746	0.5
501.23096	11.6
502.23679	0.6
529.22571	0.5
535.28802	6.5
549.41187	0.4
573.25226	1.7
587.27081	0.4
601.28064	0.5
657.34833	0.5
795.45013	100.0
796.45441	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	795.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.04998	0.7
61.02929	3.0
67.05505	3.7
69.03441	2.0
69.07064	0.9
70.06587	0.7
70.60743	1.0
71.05000	1.2
71.08636	1.5
73.02932	2.4
79.05514	1.9
79.14708	0.5
81.03420	4.1
81.07047	3.3
83.05001	1.0
83.08623	1.0
85.02907	4.5
85.06504	0.5
91.03974	1.4
91.05470	2.9
93.07051	3.7
95.04993	1.6
95.08630	2.3
97.02898	3.7
97.06520	1.2
99.08121	0.9
101.02403	1.0
105.07059	1.8
107.04991	0.5
107.08604	1.9
109.02898	0.8
109.06521	0.7
109.10160	0.9
119.08607	1.6
121.10189	2.8
127.03922	1.1
131.08583	1.6
133.10138	1.5
135.11694	0.9
136.24832	0.5
138.99088	0.5
147.11708	1.4
149.09641	1.7
151.11197	0.8
157.10120	1.2
163.11214	0.7
179.14394	1.3
184.07501	0.6
185.04190	0.7
193.12270	1.3
203.05325	0.6
204.13852	0.9
205.14333	0.7
225.14803	0.7
243.08452	3.2
267.15958	0.8
283.15259	2.7
317.20798	2.7
339.18002	0.9
373.23550	0.8
469.20233	0.9
501.23083	14.5
535.28754	7.7
615.25183	0.6
625.31866	1.0
795.44934	100.0
796.44989	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	795.452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35592	0.6
57.03496	2.1
61.02985	4.7
65.32743	0.6
67.05510	6.9
69.03434	3.1
69.07114	0.8
69.21690	1.0
69.22092	2.9
71.01427	0.6
73.02993	3.1
75.39690	0.7
78.25307	0.6
79.05573	2.0
81.03482	1.7
81.07059	3.3
85.02991	3.6
87.04541	1.2
91.03954	3.6
91.05566	1.7
93.07124	2.2
95.08706	2.6
96.36653	0.7
97.02885	4.9
99.04539	0.8
101.02464	1.3
103.03944	0.7
107.08678	1.6
109.02949	0.9
109.10172	4.6
119.08639	1.0
121.10205	0.7
127.04036	2.1
137.80894	0.6
139.39207	0.7
173.11900	0.9
184.07516	1.8
195.10022	1.3
197.85953	0.6
204.13901	0.6
214.31430	0.6
229.14502	1.1
232.65114	0.6
243.08676	2.0
340.36145	0.6
413.17886	6.6
519.29315	8.4
658.18646	0.7
691.40259	100.0
692.40625	5.0
727.19293	0.6
749.44714	0.7
777.43164	1.2
795.43671	28.9
796.43835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.9
67.05505	1.2
69.03427	0.4
69.07059	0.6
70.06591	2.6
71.05000	0.5
74.83721	0.2
79.05493	1.0
80.05003	0.7
81.07059	1.1
83.08627	0.5
84.08145	0.8
89.83471	0.2
91.05479	0.6
93.03423	0.2
93.07047	1.4
94.06557	0.8
95.05011	0.2
95.08609	1.5
96.08134	1.1
97.10174	0.5
98.06065	0.9
99.04465	0.7
100.07574	0.2
105.07030	0.9
107.08613	0.7
109.06506	0.3
109.10146	0.8
110.09684	0.6
114.09183	0.3
116.07109	0.2
117.07080	0.2
119.08576	0.8
121.06525	0.6
121.10139	0.5
122.09682	1.8
124.07642	0.3
124.11246	0.4
125.05999	0.5
126.05532	0.6
128.07117	0.4
131.04967	0.4
131.08522	0.3
133.10118	0.7
134.09682	0.3
136.07483	0.2
136.11209	5.0
137.05984	0.6
137.11948	0.3
138.12793	0.9
142.08664	0.5
147.11589	0.3
148.11212	0.6
149.05956	0.5
150.09158	1.6
150.12762	1.1
151.03920	0.6
153.05510	0.5
157.10139	0.2
159.11728	0.3
162.12761	1.2
163.07526	0.2
163.55182	0.3
164.14410	0.7
167.07040	0.5
168.10254	1.8
171.42715	0.2
175.14810	0.2
176.14365	0.3
177.05423	0.4
181.08614	0.2
182.11812	0.8
190.15880	0.6
191.07016	0.7
192.17484	0.2
209.08109	1.3
210.08443	0.5
213.12361	0.9
218.15253	0.2
222.14879	0.5
234.14836	0.4
236.16454	2.9
240.07503	0.2
276.19650	0.3
278.21130	0.5
304.22665	3.4
305.23499	0.2
310.17682	0.3
332.25674	0.3
337.10806	0.2
338.11069	0.4
339.12125	0.3
342.14209	0.2
346.65192	0.2
358.13638	0.4
360.25333	6.8
369.13483	0.4
370.13263	0.5
374.11505	0.2
374.23395	0.4
375.23581	0.3
376.24802	1.1
377.25079	1.1
378.26367	100.0
379.26749	4.6
392.24240	0.4
407.22745	0.8
601.33258	0.7
654.43939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.7
57.07083	3.2
59.05006	1.8
61.02934	6.5
65.03938	1.5
67.05503	9.2
69.03431	32.4
69.07065	7.5
69.37092	2.4
69.37502	1.2
71.01341	0.8
71.04993	6.3
71.08640	0.8
72.96258	0.5
73.02920	7.3
77.26026	0.6
79.05491	11.5
81.03422	24.3
81.07056	26.2
83.01358	0.8
83.04979	9.0
83.08618	6.3
85.02905	79.9
85.06542	3.0
87.04468	21.4
91.03972	3.5
91.05474	10.4
93.07044	16.6
93.07600	1.1
95.04967	58.5
95.08606	8.8
96.05272	1.4
97.02893	33.4
97.06527	7.5
99.04456	18.7
99.08096	1.0
101.02366	1.5
103.03943	2.7
105.04561	0.8
105.07025	21.1
107.04948	1.0
107.08596	25.0
108.42154	0.6
109.02882	15.2
109.06517	41.5
109.10155	37.3
110.06853	1.2
110.10479	0.7
111.08061	3.4
113.09645	1.5
114.12777	1.0
115.03929	73.1
115.07569	2.1
117.07013	3.2
119.06064	0.8
119.08580	18.2
121.06510	2.3
121.10141	16.3
123.08086	5.7
123.11710	11.1
124.11268	1.2
125.09635	1.2
127.03918	53.3
127.07525	1.0
128.04214	0.7
129.07129	1.2
131.08563	16.7
132.08867	0.7
133.04968	23.7
133.06465	1.3
133.10127	76.4
134.10498	1.5
135.04544	0.7
135.08055	16.4
135.11684	12.3
137.06042	1.1
137.09625	2.0
139.11183	4.7
139.27702	0.7
141.09116	1.0
142.12274	12.5
143.08577	4.3
143.12593	2.8
144.09349	1.8
145.04961	43.2
145.10127	12.3
147.08089	0.9
147.11656	9.7
149.09608	2.2
149.13258	24.3
151.07544	0.9
151.11179	5.4
153.09106	22.5
157.04990	1.8
157.10143	1.8
158.10913	8.8
159.11717	0.8
161.04517	0.8
161.09590	0.9
161.13274	0.8
163.03873	1.7
163.06055	7.5
163.07405	1.0
163.11217	3.1
163.14809	3.3
165.12773	2.3
167.14297	7.5
171.10188	2.6
171.11668	1.0
173.13258	63.2
174.13615	1.8
175.06032	1.2
175.14821	12.7
177.05418	1.1
179.05515	1.5
179.07082	0.6
181.07047	0.8
181.74017	0.7
187.05957	3.4
191.14310	100.0
192.14726	3.0
193.15865	2.2
200.82693	0.6
203.14397	1.4
204.13869	2.2
205.06993	1.2
205.14195	1.3
208.65137	0.6
209.15366	91.3
210.15741	2.2
211.17035	0.8
215.10771	0.7
215.14285	0.9
217.07068	1.4
225.14946	1.3
227.16412	19.0
228.16705	1.1
233.15488	0.9
235.06006	1.2
241.07072	6.2
257.15237	0.9
259.08145	19.0
275.07642	0.9
277.09183	32.8
278.09494	0.9
293.08527	0.9
299.16464	1.8
301.09067	1.5
317.17422	1.7
319.10168	1.1
335.18546	2.1
353.19672	3.5
371.20358	0.8
385.10989	1.3
388.21078	2.5
389.21402	1.5
403.12210	0.8
407.22256	0.8
408.23761	3.1
409.23804	1.2
410.19366	33.5
428.20370	5.2
431.20676	0.6
449.21780	1.9
451.22110	1.1
467.22769	4.0
485.23856	4.9
503.25027	0.8
517.15576	1.0
535.16534	1.3
593.94330	0.6
828.14111	0.6
828.82813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	64.6
59.05001	1.5
63.33340	0.5
67.05518	1.2
69.03434	1.4
69.07067	1.2
69.76852	1.0
69.77233	1.0
70.06609	2.3
71.04983	0.7
71.08635	1.1
73.02924	2.3
73.06569	3.5
77.03934	0.5
77.27579	0.4
78.95627	0.4
79.05497	1.8
81.07044	1.0
83.05016	0.7
84.39209	0.5
84.74198	0.4
85.02924	0.5
87.04469	29.9
89.06032	100.0
90.06370	0.9
91.03938	0.5
91.05476	7.9
91.07616	0.6
93.07054	5.1
95.04967	2.7
95.08589	0.6
98.22732	0.6
99.04451	0.4
103.05473	1.5
105.04552	1.3
105.07024	2.9
107.04978	1.4
107.07071	1.9
107.08604	2.6
109.06558	1.2
109.10168	0.9
110.04025	0.5
113.06042	0.7
113.13309	1.1
115.07629	0.5
117.07025	2.1
117.09135	2.8
118.07798	5.1
119.04966	4.0
119.08585	6.6
121.02982	0.6
121.06506	20.4
121.10130	0.6
123.08071	1.2
129.07053	0.6
130.08591	3.0
131.07039	13.2
131.08549	1.0
133.08607	69.3
134.08923	0.9
135.08063	3.7
135.10179	0.6
135.11700	2.7
147.08049	11.1
147.09148	0.8
149.09601	5.7
149.13286	0.6
150.06776	3.9
157.08667	0.6
159.11777	2.0
161.11792	0.5
163.07622	0.6
163.11195	2.4
165.09122	6.3
167.10655	2.3
175.09680	9.2
175.11102	0.9
177.11232	28.7
177.12656	2.3
179.10629	0.6
184.07385	1.3
186.04222	0.5
191.10629	4.3
193.12296	1.7
194.90036	0.5
209.11697	3.5
211.13336	3.6
217.16997	0.6
219.12311	4.0
221.13831	6.0
221.15848	0.5
223.15402	0.7
231.17572	0.8
231.68515	0.5
233.19016	18.4
234.19328	0.6
235.13283	3.0
239.14987	1.1
247.20680	0.6
253.14445	1.3
255.15881	2.8
259.20544	5.0
265.16599	1.7
275.20285	0.7
275.23752	1.5
277.21637	27.1
278.22147	1.3
279.15988	1.7
283.17456	3.0
297.17075	0.6
299.18555	1.3
303.23230	3.9
309.19232	2.1
319.22958	0.6
321.24292	9.2
323.18668	0.7
327.20374	1.4
353.21957	1.5
397.24304	1.1
408.56754	0.5
410.19440	1.0
441.26993	0.6
624.31537	0.7
625.31946	0.8
626.31854	2.5
667.39252	2.1
677.37366	1.5
735.49536	0.6
779.51685	7.0
796.54468	15.9
797.40723	7.1
797.54144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	0.5
65.62270	0.3
67.05511	0.6
69.46567	0.8
69.46946	0.7
72.77435	0.3
76.59634	0.3
79.05470	0.4
81.07065	0.8
85.02898	0.4
95.04972	0.5
95.08643	0.5
98.22666	0.7
98.97630	0.4
165.89340	0.4
166.70474	0.4
184.07388	0.5
207.51347	0.4
228.04297	0.4
275.94119	0.4
317.17386	0.4
398.98642	0.4
410.19403	6.4
428.20529	0.8
501.16354	0.5
625.31696	0.7
707.37646	100.0
708.37848	6.4
760.03894	0.4
761.37305	0.5
797.39661	14.4
798.39215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06604	1.0
71.42979	0.8
72.53142	0.8
76.19044	0.8
83.43087	0.9
95.08556	1.0
105.59768	0.9
113.90587	1.0
120.84488	0.8
122.17340	0.8
269.24445	1.0
319.03549	1.0
384.80316	0.9
408.83536	0.9
410.19330	7.5
426.39969	0.9
434.78900	0.9
654.56018	1.1
707.37677	100.0
708.37994	6.1
719.24310	0.9
744.26215	0.9
760.04651	1.0
797.39923	18.4
798.39441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	0.7
57.28707	0.4
62.66869	0.5
67.05509	0.7
67.29119	0.5
69.53897	2.2
70.06588	0.6
71.05016	0.8
82.86751	0.5
86.06110	0.6
87.04465	1.1
88.04838	0.5
95.08599	0.6
98.23454	1.1
110.95512	0.6
112.33012	0.5
135.67409	0.5
164.99771	0.5
167.00542	0.5
184.07394	0.8
200.56235	0.5
259.08725	0.6
383.73752	0.5
410.19299	2.9
617.65747	0.6
707.37665	100.0
708.38031	6.0
797.40027	13.7
798.40363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.54693	0.2
61.02931	3.5
67.05506	4.7
67.98512	0.3
69.03429	3.0
69.07069	2.4
71.01330	0.3
71.05007	0.7
73.02917	2.8
79.05505	2.6
81.03419	3.2
81.07064	3.9
83.04986	0.7
83.08629	1.5
84.11923	0.3
85.02906	5.3
91.03968	2.1
91.05481	2.9
93.07055	2.3
95.04983	1.5
95.08593	2.0
95.13113	0.3
97.02898	3.5
97.03481	0.3
97.06548	0.8
97.10193	1.0
99.04494	1.0
101.02398	1.5
105.07051	1.9
107.08581	1.6
108.40330	0.3
109.02919	0.7
109.06535	0.3
109.10163	1.9
111.04433	0.3
111.08100	0.7
115.03984	0.4
117.07039	0.4
119.08604	1.3
121.10185	1.1
123.08002	0.3
123.11701	0.5
125.09667	0.9
127.03872	1.6
127.05459	0.3
129.06967	0.4
131.08595	0.9
133.10173	0.9
135.11707	0.5
137.06004	0.3
145.04987	0.5
145.10178	0.4
147.11720	1.1
149.09718	0.5
149.13301	0.3
157.10144	0.7
159.11754	0.4
175.11249	0.6
193.12325	1.2
203.05342	0.6
243.08382	2.9
251.12592	1.0
301.08926	0.3
351.21414	2.5
365.70139	0.3
407.24197	1.0
410.19312	3.4
469.20496	8.1
499.21637	0.4
516.98743	0.3
569.29388	7.1
569.37616	0.6
589.02032	0.3
742.75439	0.4
753.35248	0.3
797.42847	100.0
798.43207	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	797.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63384	0.3
57.03432	1.3
59.05014	0.8
61.02924	4.2
67.05508	4.8
68.95131	0.3
69.03424	1.9
69.07064	1.0
69.22388	0.4
69.46168	0.8
69.46559	0.8
70.06600	2.1
71.04987	1.7
73.02921	3.3
77.03892	0.4
79.05493	2.8
81.03423	3.8
81.07059	5.4
83.04977	0.6
83.08611	0.9
85.02914	4.0
88.69131	0.4
91.03958	2.2
91.05495	2.7
93.07048	3.9
95.04971	1.6
95.08614	2.8
97.02892	3.5
97.06515	0.8
99.04488	0.5
101.02372	1.4
103.03934	0.5
105.07019	2.4
107.08587	1.6
109.02857	0.9
109.06509	0.7
109.10144	1.1
115.03909	0.4
119.08607	1.0
121.10136	1.9
123.11679	0.4
127.03929	1.1
129.06987	0.6
131.08566	2.1
133.10121	1.1
135.11671	0.6
136.13168	0.4
145.10187	0.5
147.11671	1.5
149.09589	1.0
149.13307	0.8
157.10143	1.5
173.13144	0.5
175.11209	1.1
179.76170	0.4
185.04225	0.6
187.87903	0.4
193.12273	1.1
216.96234	0.4
225.14925	0.5
243.08452	2.5
267.15796	0.8
283.15128	3.6
339.17725	1.2
395.16043	0.5
410.19370	6.4
411.19781	0.6
428.20206	1.1
469.20215	0.8
501.23071	16.1
502.23108	0.6
537.30328	8.7
538.31384	0.5
627.28986	0.6
635.41138	0.5
679.22308	0.4
684.47125	0.4
707.39612	0.6
797.46881	100.0
798.47308	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	798.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
57.07077	0.5
59.04991	0.2
61.02911	0.9
65.03909	0.3
67.05494	0.8
69.03069	0.3
69.03430	4.2
69.07085	1.1
71.04984	0.5
73.02930	0.9
77.03934	0.4
79.05480	0.5
81.03417	2.9
81.07064	1.6
83.04993	0.2
83.08626	0.6
85.02907	9.3
85.06509	0.2
87.04464	2.1
91.03960	0.6
91.05481	4.5
93.03403	0.6
93.07048	7.3
94.07362	0.3
95.04958	2.8
95.08604	1.6
97.02893	4.6
97.06509	0.4
97.10149	0.2
99.04453	0.8
103.05470	4.5
103.14335	0.2
105.04532	1.1
105.07033	0.8
107.04967	0.5
107.08590	0.9
109.02887	1.8
109.10166	1.0
111.08089	0.5
115.03929	6.4
119.08600	0.5
121.06505	100.0
122.06830	1.1
123.11685	0.4
124.90143	0.2
127.03916	5.2
131.08580	0.2
133.04967	2.0
133.10167	0.3
135.08093	0.3
135.11699	0.5
137.05911	0.3
137.13295	0.2
139.11182	0.2
145.04964	4.5
145.06459	0.6
145.10103	0.3
147.11665	0.2
149.02328	3.5
149.13252	0.6
150.43352	0.2
159.11725	0.2
161.09636	0.2
161.13307	0.3
163.06143	0.4
163.07564	2.0
163.11174	0.4
167.03429	0.3
187.07579	0.7
205.08603	12.0
206.08994	0.3
207.17430	0.2
223.09750	0.2
229.08710	0.2
247.09689	0.4
259.08194	1.9
271.24304	0.3
277.09183	2.0
289.10767	0.5
289.25342	1.2
295.26160	0.2
307.26297	4.3
307.29666	0.3
313.10843	0.2
319.11902	0.3
325.14404	0.3
325.27420	1.3
331.11621	0.2
343.15207	0.3
349.12991	0.2
367.13940	0.4
410.19150	0.2
411.20047	0.2
439.26941	0.3
442.09497	0.2
463.15988	0.5
481.17236	0.7
482.00650	0.2
529.09937	0.2
798.38928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	0.7
57.03436	8.2
59.13908	0.4
61.02929	3.9
67.05545	0.6
69.03428	32.6
69.07068	5.3
69.22830	0.4
71.01329	0.8
71.04987	1.6
73.02911	5.0
76.91314	0.4
81.03417	5.5
83.01334	0.9
83.04993	0.5
83.28480	0.4
85.02902	100.0
86.09702	74.6
87.04472	1.3
87.10017	0.7
91.03960	0.7
95.04981	0.6
97.02888	33.0
98.22638	1.3
99.04456	10.2
101.02371	5.6
102.04646	0.4
103.03912	1.0
106.58497	0.5
109.02866	5.9
111.04425	0.6
115.03922	4.0
117.33450	0.5
119.04909	0.6
123.04443	0.8
127.03911	84.9
128.04254	1.3
132.10202	59.3
133.10519	0.9
139.67072	0.5
145.04953	94.6
146.05296	1.2
151.03918	1.5
163.06012	40.5
181.04913	1.1
193.04968	0.9
195.06555	0.5
199.06012	1.3
207.06500	0.7
211.06110	0.6
217.07050	1.2
223.05988	4.2
229.07022	1.2
241.07027	1.4
247.08037	2.8
253.07037	4.6
259.08145	5.3
271.08118	9.4
289.09161	21.6
290.09299	0.6
294.15457	0.7
307.10083	2.7
325.11279	30.8
326.11459	0.6
409.18295	0.6
456.20227	0.7
604.28729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72661	1.0
57.03440	1.7
57.23388	1.0
58.01002	1.0
61.02944	1.7
67.05506	2.1
69.03429	10.5
69.07068	1.3
70.72182	1.7
71.05003	1.5
79.05495	3.0
81.03410	8.7
81.07057	4.6
82.06577	1.2
85.02921	9.6
86.45673	1.1
87.00842	2.3
87.04449	1.3
91.05484	3.1
93.07050	4.1
94.06549	5.9
95.04945	1.7
95.08615	3.6
96.08147	4.5
97.02895	6.1
97.06551	1.6
99.04485	3.1
105.07056	3.0
107.07338	3.8
107.08606	1.3
108.08122	14.2
109.02888	7.2
109.10181	2.8
110.09691	8.3
115.03959	3.2
119.08596	2.3
120.04453	10.3
120.08108	11.1
121.06554	1.3
122.06036	14.1
122.09661	7.6
124.07603	2.5
127.03947	6.8
134.06091	1.4
136.07591	17.9
138.05540	2.4
138.09146	11.9
141.05455	1.3
144.08098	1.5
145.01649	1.3
145.05003	3.4
146.06013	10.1
148.07581	9.6
150.09148	14.5
152.07101	3.6
160.03957	1.7
162.05527	2.0
162.09093	1.3
164.07079	3.2
166.08641	36.7
168.10274	1.2
172.03929	2.5
172.07719	1.4
172.78204	1.1
174.05470	1.6
174.09221	1.1
176.07146	1.7
176.10645	1.8
180.10175	1.2
181.08803	1.5
186.05533	3.1
187.06181	1.3
188.07082	2.1
190.04962	10.3
194.08168	3.7
196.09856	2.0
197.10750	1.9
198.05482	1.9
204.06598	5.0
209.10754	2.6
211.12386	1.4
212.09230	1.7
216.06586	1.5
218.08203	3.1
220.09917	1.6
221.10803	1.9
223.08701	1.9
223.12306	2.6
224.09390	3.0
225.10236	5.5
226.10965	1.5
227.11795	3.8
232.06139	4.0
233.10753	2.1
235.08711	4.0
235.12241	2.0
236.09393	4.0
237.10240	19.4
238.11044	4.1
239.08038	1.1
239.11771	7.4
241.09709	2.8
241.21646	1.3
245.12895	2.4
248.09409	5.4
249.10245	15.7
250.11046	5.7
251.08183	4.5
251.11780	17.7
252.08910	2.0
252.12570	3.2
253.09688	12.1
253.13556	1.4
254.10529	3.1
255.11319	9.6
258.07535	1.9
261.10251	12.9
262.10974	4.0
263.08167	1.6
263.08878	1.9
263.11774	15.4
264.09018	1.5
265.09726	24.1
265.13589	1.9
266.10608	2.7
267.11252	14.6
268.12076	2.1
269.09375	1.4
269.12799	2.6
271.10904	2.0
273.12366	3.8
273.96216	1.3
275.11801	2.5
276.09116	1.5
277.09650	9.5
278.10458	10.4
279.07779	4.3
279.11255	32.5
280.11987	5.1
281.09314	5.4
281.12857	4.2
282.09900	1.3
283.10828	12.6
284.11179	1.3
287.14029	1.6
289.09711	27.2
290.10495	3.5
291.11322	10.7
292.11862	1.2
293.09229	10.2
293.12918	10.4
294.10031	6.9
295.10846	6.8
295.14108	1.5
296.11581	6.0
297.09219	1.3
297.12286	5.9
299.10239	2.8
303.11346	2.7
305.09164	5.5
305.12915	3.2
306.09888	1.9
307.10706	9.3
308.11511	3.9
309.12308	10.2
311.10260	11.0
311.13870	4.2
312.11032	6.3
313.11731	3.4
314.12906	2.5
317.09192	4.3
319.10678	2.8
321.08685	1.8
321.12384	4.0
323.10275	3.2
323.13913	4.1
324.11066	5.2
325.11838	8.9
326.12543	8.5
327.13467	10.4
331.10583	1.5
333.12347	1.9
335.10266	37.9
335.14331	1.9
337.11710	7.4
339.13400	89.4
340.10269	5.8
340.13943	4.6
341.11343	5.6
341.15042	2.3
342.16068	1.5
349.11896	6.2
352.10364	3.1
353.11316	51.6
354.12170	8.5
354.16025	2.1
355.12903	25.0
365.11414	1.8
366.12003	4.1
367.12885	62.3
368.13486	2.9
370.14993	1.6
372.17233	1.6
377.11270	1.6
381.14682	1.5
384.12857	23.9
385.13986	1.8
387.15628	1.3
388.21149	4.8
400.16425	1.2
414.18344	1.4
423.81610	1.4
432.19440	2.2
442.17734	2.4
444.19110	2.3
460.18805	7.8
461.19180	1.5
470.17191	2.6
472.18652	4.5
474.20313	3.2
484.18839	1.4
488.18161	72.7
489.18369	2.6
492.21225	2.0
502.19598	3.4
506.19232	76.0
507.19543	3.1
512.18134	2.0
520.20782	16.1
530.11542	2.2
530.19189	28.3
534.18768	37.2
535.18964	1.9
632.20581	1.3
682.25305	3.2
692.24243	3.1
718.22076	2.8
724.26910	4.6
736.23279	28.2
737.23737	1.5
768.26080	100.0
769.27173	5.3
800.28888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.2
57.07053	0.4
59.78429	0.2
67.00941	0.1
67.05502	0.3
68.04997	0.2
69.03418	0.7
69.07052	0.3
70.06562	0.3
71.04964	0.2
71.45801	0.1
79.05466	0.3
81.07012	0.6
82.06535	0.3
83.04964	0.2
83.07363	1.8
84.08118	0.2
86.06043	0.6
86.70246	0.1
87.04440	0.2
93.07030	0.8
93.44856	0.1
95.04959	0.3
95.08557	0.6
96.08135	0.9
97.06490	0.4
98.06048	0.2
98.09656	0.2
105.06996	0.5
107.08568	0.3
108.08094	0.2
109.06483	0.3
110.09654	0.2
111.08042	0.4
119.08593	0.8
121.06451	0.4
121.10102	0.2
122.09628	0.2
123.08080	0.2
124.11190	0.4
125.09540	0.2
125.11977	0.4
126.12771	0.5
131.08536	0.5
133.06467	0.3
133.10095	0.3
134.09621	0.3
135.08047	0.4
135.11676	0.2
136.06137	0.2
136.11151	0.3
137.09622	0.9
138.12785	1.6
139.07478	0.1
140.07033	0.3
141.05421	0.2
143.08557	0.2
145.10091	0.3
147.08022	0.7
147.11703	0.3
148.07426	0.2
149.09479	0.2
150.01070	0.2
150.12733	0.2
152.10544	0.1
152.14304	0.2
154.12256	0.5
159.11623	0.3
161.09578	0.2
163.11136	0.3
164.14287	0.5
170.11751	1.7
173.09573	0.3
175.14798	0.2
177.12718	0.3
178.15762	0.2
179.10748	0.1
179.14310	0.3
187.14734	0.2
188.14363	0.1
189.12724	0.4
190.12180	0.2
194.11777	0.5
194.15352	0.3
199.11121	0.2
203.14313	0.3
205.15891	2.3
206.15353	0.4
207.13757	0.2
208.13318	0.6
217.12181	0.2
224.16415	0.2
229.15923	0.3
231.17514	0.2
232.17015	0.8
233.15353	1.3
235.17033	0.2
236.16336	0.2
246.18513	0.2
247.17101	0.1
250.18066	1.3
259.16861	0.2
266.65149	0.2
276.19565	0.2
278.21265	0.2
292.19073	6.1
293.19559	0.2
294.20654	3.2
302.21021	0.5
303.19479	0.4
310.16483	0.2
310.20123	6.9
320.22198	1.0
322.20200	1.6
336.21677	2.2
338.23248	14.2
339.23477	0.2
364.21155	22.7
365.21548	0.6
366.22760	7.7
367.23203	0.2
382.22211	100.0
383.22644	2.6
405.06024	0.3
420.20154	2.5
436.19974	0.4
513.38147	0.2
532.25226	0.2
683.92645	0.2
691.86719	0.2
799.22546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11835	3.8
74.06084	0.7
83.04967	0.8
86.01914	0.5
91.05483	4.3
92.48623	0.6
105.07021	1.1
111.79828	0.7
119.07302	1.9
132.08113	1.6
134.09657	100.0
135.09996	1.2
143.08618	0.9
143.95709	0.6
158.09665	0.9
165.38664	0.6
180.10245	1.7
216.13852	1.4
229.11008	1.0
234.14857	5.2
244.13333	50.0
245.13666	1.4
262.14407	29.0
286.34973	0.6
362.19736	2.9
485.53595	1.0
523.27985	2.4
623.33240	1.3
784.41534	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	801.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78115	1.5
77.50970	0.4
81.07075	1.1
85.73599	0.4
91.05493	0.6
93.07014	0.5
98.22749	0.8
105.07034	0.9
121.06448	0.6
122.96262	0.4
167.07071	0.5
293.16028	0.6
313.59601	0.5
319.18890	0.9
331.18839	2.7
331.22482	0.8
375.25021	3.0
405.22427	0.7
413.30060	0.5
419.24191	1.1
431.31555	1.4
437.25125	7.6
461.29071	0.7
475.30362	2.1
493.31302	5.8
647.42377	0.5
685.47833	0.5
703.49231	0.7
721.50122	1.6
765.49072	1.1
783.50604	3.1
801.51215	100.0
802.51599	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	803.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
60.12910	0.4
61.02929	0.9
61.99549	0.4
62.55466	0.4
65.03920	0.5
67.05499	1.5
69.03431	3.8
69.07050	0.5
69.62094	0.8
70.47224	0.5
71.04976	0.4
78.57728	0.3
79.05492	1.6
80.05013	0.8
81.03435	1.5
81.07061	0.9
82.06567	0.5
83.08614	0.6
85.02903	3.5
86.46101	0.5
91.05493	1.4
93.07063	2.4
94.06567	4.7
95.04984	1.0
95.07362	2.2
95.08588	0.6
96.08126	4.1
97.02889	1.5
97.06548	0.5
99.04483	0.6
103.05481	0.7
105.07075	0.5
107.07332	0.9
107.08553	0.5
108.08121	5.8
109.02865	0.6
110.06068	0.4
110.09673	7.1
120.04514	0.9
120.08106	6.2
121.06555	0.5
122.06033	7.1
122.06850	0.7
122.09675	1.5
124.07619	0.6
128.06290	0.4
136.07582	5.8
138.05464	0.5
138.09142	9.3
138.12766	0.5
148.07597	2.8
150.09187	1.7
166.08624	11.8
172.07578	0.8
199.08670	0.6
204.13905	0.5
211.08727	1.8
219.09540	0.5
220.09897	0.4
221.10730	2.1
234.07919	0.6
234.14836	2.9
235.08589	1.1
237.10193	1.1
247.08929	1.4
248.09375	0.7
249.10220	10.7
250.10962	1.4
251.11835	1.4
261.10321	1.2
262.11069	0.6
262.18024	2.1
263.11902	1.3
265.09833	1.6
275.08194	1.1
277.09726	7.9
278.10403	0.5
279.07892	0.5
283.15573	0.5
285.09973	0.5
289.09793	0.8
291.11285	1.1
293.09052	1.0
295.10931	1.0
297.12817	0.6
299.11603	0.5
303.07593	0.5
308.11670	0.6
309.12332	6.6
311.11130	0.5
312.11832	0.7
312.15411	0.6
313.12729	0.7
314.13062	0.9
315.14099	0.7
321.08755	1.0
321.12381	0.6
322.13602	0.9
323.14322	0.9
324.11737	1.0
324.15222	0.7
325.12430	0.9
326.12991	2.3
327.13837	1.3
328.11050	0.8
328.14673	1.4
330.12405	0.5
330.16141	0.6
335.10388	0.5
336.11279	0.5
336.15070	0.8
337.12482	0.7
337.16187	1.1
338.13080	1.0
338.16736	1.4
339.14282	1.5
340.11227	2.0
340.14636	1.9
341.11826	1.0
341.15302	1.6
342.12424	2.1
342.15836	0.9
343.13199	0.8
344.14017	1.1
348.11377	0.5
349.12161	0.9
350.13052	1.1
351.13843	0.6
352.10803	0.8
352.14468	1.6
353.11554	2.1
354.12460	4.6
354.16156	1.0
355.13077	3.6
355.16586	0.4
356.13919	4.6
356.17517	0.7
357.14627	1.0
364.14456	3.4
365.15604	0.7
366.12256	1.2
366.16132	3.2
367.13080	3.1
368.10141	1.2
368.13998	9.9
369.14780	4.8
370.11563	0.9
370.15671	2.5
371.16422	1.1
372.13281	0.7
377.11545	0.6
378.12326	0.6
379.13110	0.7
380.14328	2.3
381.11108	0.6
382.11789	4.5
382.15683	6.2
383.12030	0.6
383.16589	2.2
384.13477	0.6
384.17215	7.0
385.14178	0.8
386.15033	1.2
386.19730	1.1
388.12726	0.5
388.21191	3.6
392.14059	2.6
393.14902	0.5
394.15985	1.9
395.12790	1.5
396.13391	6.1
397.14133	3.4
398.18756	9.3
400.16727	1.1
401.17407	0.5
402.14563	1.1
403.15228	0.5
408.13464	0.9
410.15015	6.9
411.15652	0.8
412.16605	8.3
413.13278	0.9
414.14105	1.9
415.15390	1.6
416.15799	0.9
416.20667	7.3
420.13651	1.8
426.13684	4.2
426.18781	1.7
428.16095	5.7
429.16925	1.3
430.17725	0.8
432.14285	0.5
438.14496	24.9
439.14832	1.4
441.13107	0.5
442.17947	2.4
444.20084	5.3
452.16077	1.0
456.15536	35.4
457.16113	2.2
458.17084	7.1
470.16971	2.1
476.18167	28.9
477.18530	1.4
488.18127	18.5
489.18863	1.1
508.26651	0.4
543.84015	0.5
563.22968	1.8
581.23853	0.6
591.22321	4.5
595.25372	2.2
609.23364	19.9
610.23767	1.3
613.26520	1.3
623.24963	19.1
624.25018	1.0
641.26044	100.0
642.26337	6.3
771.28491	1.5
785.30121	0.9
802.94824	0.5
803.29089	2.1
803.43011	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	803.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49588	0.5
65.03919	0.9
67.05474	2.2
69.03442	3.2
69.07056	0.8
71.04977	0.7
73.02895	0.5
79.05457	1.7
80.04993	1.7
81.03047	0.4
81.03417	5.0
81.05768	0.8
81.07027	1.9
82.06570	0.6
83.04945	0.8
83.08616	0.4
85.02877	1.9
91.05492	2.7
92.04978	0.8
93.05779	1.2
93.07037	3.0
94.06570	6.1
95.04951	1.6
95.07313	1.9
95.08574	0.7
96.04454	0.7
96.08127	5.7
97.02864	1.7
97.06468	1.7
99.04430	1.1
102.94906	0.5
103.05460	1.3
105.04517	0.6
105.07003	0.8
106.06536	2.2
107.07312	1.1
108.04455	1.4
108.07386	0.7
108.08116	11.3
109.02859	3.2
110.09680	7.3
115.03935	0.7
115.95753	0.5
116.04989	2.9
117.07030	0.6
118.06536	1.2
119.08567	0.6
120.04467	3.0
120.08112	9.6
121.06466	0.7
121.08329	0.5
122.06034	10.6
122.09655	4.2
124.07597	6.9
127.03893	1.8
129.06993	0.9
130.06512	1.0
131.07248	0.7
132.08064	1.3
133.06494	0.6
133.10104	0.6
134.06023	2.6
134.09631	1.0
136.07576	17.9
137.05894	0.7
138.05490	0.8
138.09145	13.7
138.12729	1.2
143.08533	1.1
144.04439	4.8
144.08051	1.4
145.05231	0.7
145.07591	0.5
145.08833	0.9
145.10149	0.5
146.04915	0.8
146.06015	13.5
146.07156	0.9
146.09605	1.3
148.03951	1.0
148.07582	5.9
149.09659	0.5
150.05550	2.3
150.09129	5.3
152.07033	1.9
154.12254	0.5
155.07210	1.1
155.08496	1.0
156.08075	0.8
157.08841	1.0
158.09621	1.1
160.03944	2.3
160.07571	2.2
161.07060	1.5
161.08311	0.6
162.05515	6.3
162.12708	0.7
164.07097	3.2
165.09111	1.2
166.08630	15.2
167.07164	1.5
168.10222	0.7
170.09636	4.5
171.09093	0.6
172.03941	22.1
172.07590	1.9
172.09932	0.7
172.11230	1.4
173.08331	0.9
174.05522	7.2
174.09116	1.4
175.08687	1.4
175.47939	0.6
176.07085	1.0
178.08656	1.2
180.06476	1.0
180.10138	1.0
182.09674	1.2
183.06766	1.1
183.09172	0.9
184.07561	0.9
184.11226	1.8
185.08397	1.1
185.10713	0.8
186.09117	2.1
186.12759	0.7
187.08653	1.0
187.12309	6.0
188.07104	0.8
188.10744	1.6
190.04990	10.0
191.05540	0.6
191.07088	1.0
192.06567	1.2
192.08089	0.6
192.10240	0.6
194.08113	1.0
196.07730	0.5
196.09789	1.4
197.08406	1.3
197.10762	1.4
198.09171	24.2
199.12325	1.9
200.07552	0.7
200.09134	3.1
200.10793	2.0
201.06633	0.7
201.10260	1.2
202.08580	1.1
204.06561	36.8
204.13821	1.0
206.08080	1.8
209.10690	1.0
210.09216	2.7
210.11061	0.7
211.08614	0.7
211.12341	1.9
212.07080	1.1
212.10977	6.7
213.10176	3.9
213.13620	0.8
214.08600	1.4
215.11800	20.8
216.10165	4.2
216.12056	0.9
218.08040	0.7
222.09392	0.6
223.08571	0.9
223.12386	0.8
225.10173	3.9
226.08923	6.2
226.10922	1.0
227.08153	2.2
227.11792	8.4
228.08647	0.8
229.09784	0.9
229.13365	2.3
231.11246	1.3
232.09647	1.6
234.09143	0.6
234.14960	2.8
235.08749	0.9
236.09453	2.0
237.10184	2.1
238.08667	1.2
238.10933	0.7
239.08241	1.0
239.11797	2.4
240.08876	2.7
240.10365	2.3
241.09727	14.5
241.13409	2.3
242.10326	2.6
243.11287	100.0
244.09662	3.1
244.11751	1.5
246.11200	2.8
247.09653	0.7
251.11800	2.6
252.10162	1.4
253.09724	3.3
253.13382	1.2
254.10394	0.7
255.11282	33.0
256.11920	2.5
257.12875	8.4
262.18091	1.8
263.08194	0.6
263.11819	0.8
264.09079	1.6
265.09787	1.2
267.11234	2.6
268.09369	0.5
269.09219	4.2
269.12756	1.0
275.12741	0.7
277.09738	1.2
278.10788	0.8
279.07956	1.0
279.11273	5.3
281.09308	1.1
281.12817	1.8
283.10788	17.7
284.11420	2.3
285.12338	98.8
286.12631	2.3
293.09161	1.7
295.10883	2.5
296.11670	0.7
297.12265	4.8
299.14017	0.7
301.11801	4.0
302.12476	0.7
303.13416	9.9
305.09113	0.6
307.07770	0.6
307.10788	4.5
309.12317	2.1
311.10410	1.2
312.11450	0.5
313.11902	2.3
321.08679	1.0
325.11755	12.0
326.12363	0.7
327.13449	1.1
335.10251	1.1
339.13675	1.7
341.15173	1.1
343.12952	2.4
345.14426	2.6
355.14102	0.6
356.14130	1.0
357.14597	6.9
358.15616	1.4
359.15933	2.3
367.14191	0.7
368.14410	0.7
370.15790	0.7
371.13611	1.0
375.15634	0.8
382.15390	1.1
384.13330	0.7
385.15326	0.9
386.19562	1.3
388.21213	8.0
389.15106	0.6
393.14340	1.8
396.13501	1.4
399.13605	0.6
400.16949	0.9
402.14233	0.6
403.15207	0.8
409.13895	1.4
410.14996	1.2
411.15494	6.2
412.16254	0.9
413.14542	0.8
414.14542	1.2
416.15723	0.7
416.20706	7.4
427.14990	7.7
428.15967	1.7
429.16605	13.0
433.13895	0.6
438.14511	1.0
442.17801	0.7
444.15970	1.9
445.16165	5.8
447.17618	15.0
448.18201	0.9
456.15701	4.1
457.15805	1.1
458.17062	1.0
470.16986	4.3
471.17868	0.8
472.18735	0.8
473.15613	0.6
474.16464	2.4
476.17923	0.9
487.17435	0.7
488.18051	1.3
502.19168	1.0
516.17725	0.7
544.20959	2.5
556.21649	0.7
562.21991	2.8
563.22601	0.9
570.18671	0.9
574.22034	1.2
576.20111	1.5
580.22839	1.9
581.24280	1.3
582.18707	1.4
588.19635	3.4
590.21924	0.8
591.22052	1.1
592.22717	0.6
595.25970	0.7
598.24255	1.4
600.19562	2.6
601.19678	0.6
602.21002	1.0
606.21118	1.7
609.23468	3.6
610.23328	0.9
618.20746	2.7
620.22266	1.5
623.25043	1.6
627.24750	0.8
632.21887	0.7
641.25427	0.7
669.25494	1.0
673.27411	0.8
689.25916	2.8
691.27545	1.9
707.27094	5.4
709.29095	1.0
717.25568	1.8
725.27734	3.4
727.30029	1.8
735.26672	8.2
739.29565	2.2
743.29193	2.4
749.27844	1.4
753.27734	7.7
757.31323	1.4
767.28851	2.2
771.28650	18.8
772.29401	1.0
785.30219	30.4
786.30212	2.1
803.41718	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	803.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
61.02934	0.8
62.33530	0.8
65.03928	1.3
67.05507	4.5
69.03442	5.1
69.07047	0.9
71.05007	1.1
79.05489	2.7
80.05015	1.5
81.03425	5.9
81.07059	2.4
82.06557	1.1
83.05021	1.0
85.02897	2.9
87.03577	0.8
91.05492	3.5
93.05798	1.3
93.07056	3.2
93.99825	0.8
94.06553	5.2
95.04964	1.9
95.07365	2.1
95.08636	1.5
96.04460	1.2
96.08134	7.3
97.02890	3.5
97.06540	1.6
105.07037	2.1
106.06543	2.5
107.04998	1.1
107.07349	1.0
107.08614	1.6
108.08121	13.2
109.02881	2.6
109.10129	1.2
110.09669	8.0
116.04977	2.5
117.05791	0.8
118.06537	1.8
119.08584	1.8
120.04461	2.6
120.08109	8.8
121.10135	1.0
121.54225	0.8
122.06026	9.6
122.09673	5.4
124.07596	6.4
127.03925	2.7
128.06229	1.1
131.08580	1.7
132.08104	2.2
134.06026	2.8
134.09656	1.3
136.07579	19.8
136.08617	1.0
138.09138	11.8
138.12791	2.7
144.04460	4.0
144.08124	1.1
145.06491	1.0
145.10046	1.0
146.06007	15.8
148.03957	1.5
148.07590	4.9
148.11171	0.9
150.05539	2.3
150.09149	6.6
150.62694	0.9
151.07561	0.9
152.07047	1.5
155.07208	0.9
155.08525	1.0
157.10141	1.0
160.03940	2.1
160.07591	2.0
162.05508	6.2
162.12729	1.5
163.13539	1.1
164.07069	3.6
165.09132	1.8
166.08643	13.4
167.07288	1.1
168.08095	1.4
168.10223	1.2
170.09673	3.0
172.02452	1.0
172.03937	21.5
172.07614	2.5
172.09886	2.0
172.11235	2.4
173.07086	1.0
174.05475	7.8
174.09201	1.5
175.08650	1.6
178.08618	1.1
180.08080	1.2
182.09732	1.0
182.11761	1.4
184.07640	1.3
184.09898	1.4
184.11369	1.6
184.32367	0.8
186.09137	1.9
187.12340	5.3
190.05009	10.7
192.06609	1.3
194.08180	1.3
196.09952	1.5
197.10789	1.2
198.07478	1.3
198.09171	23.8
199.08669	1.3
199.12329	2.4
200.09306	2.1
200.10962	1.7
201.10304	1.2
202.08479	1.0
204.06563	34.4
204.13927	2.3
206.08098	2.4
208.13390	2.1
209.10658	1.4
210.09158	2.4
211.08687	1.9
211.12265	1.5
212.07158	0.9
212.10976	5.4
213.10204	3.4
213.13780	1.1
214.08755	1.2
215.11815	20.0
216.10196	2.4
223.12111	1.0
225.10297	3.4
226.08861	5.7
226.10738	1.5
227.08263	2.1
227.11731	9.6
229.09912	1.2
229.13390	2.8
231.11562	1.0
234.14891	7.4
236.09445	1.8
237.10211	2.0
238.08868	1.1
239.11879	2.6
240.08647	2.3
240.10399	2.4
241.09749	16.2
241.13426	2.6
242.10495	3.3
243.11288	94.4
244.09644	2.3
244.11775	1.2
246.11284	1.3
247.09720	3.0
249.10820	1.2
251.08260	1.5
251.11868	2.1
252.10321	1.3
253.09850	4.2
253.13181	1.2
255.11278	40.4
256.12076	2.5
257.12860	7.2
262.17993	6.5
264.08911	2.7
267.11285	1.6
269.09283	4.3
269.12784	1.5
269.86719	0.8
273.11832	1.2
275.12689	1.7
277.09637	2.1
279.11285	5.6
281.09351	1.0
281.12769	1.7
283.10754	22.4
284.11456	3.1
285.12335	100.0
286.12527	2.1
293.09158	1.4
295.10815	2.4
297.12338	5.9
301.11801	4.3
303.13428	10.4
307.10791	4.8
309.12204	2.1
311.10229	1.9
313.11719	2.2
318.16904	1.1
321.08853	1.8
325.11890	13.1
337.12091	1.2
339.13644	2.1
343.12885	2.8
345.14664	2.1
356.14017	1.4
357.14465	8.1
358.15659	2.1
359.16208	4.3
368.13965	1.0
386.15195	1.7
386.19507	3.9
388.16599	1.6
388.21173	17.6
389.21588	1.3
393.14493	2.6
396.13147	1.3
409.13901	3.1
411.15582	8.2
412.16544	1.6
413.17938	1.3
414.14566	1.8
416.20731	21.8
427.15054	12.1
428.15955	1.7
429.16617	13.8
430.16815	1.1
444.15192	1.6
445.15976	7.9
447.17709	13.2
456.15515	4.3
457.15805	1.0
474.16547	2.4
476.18188	2.4
477.62827	1.0
487.16962	1.0
488.18045	1.1
544.20605	1.8
562.21582	2.1
570.18555	2.0
580.22516	1.2
581.23187	1.2
582.18341	2.0
588.19641	3.5
591.22174	1.3
598.23309	1.5
600.19495	2.6
606.21014	2.4
609.23779	5.4
618.20569	2.1
627.24524	1.9
641.25604	4.2
689.25751	3.1
691.27338	2.1
707.26611	3.3
709.28094	1.5
717.25610	2.3
725.27710	2.3
727.29260	1.8
735.26550	15.7
736.25720	1.1
739.29865	1.1
743.27875	1.5
753.15894	1.4
753.27673	11.7
767.28998	1.3
771.28619	26.2
772.28473	1.4
785.30023	1.7
803.41345	34.1
804.40961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49588	0.5
65.03919	0.9
67.05474	2.2
69.03442	3.2
69.07056	0.8
71.04977	0.7
73.02895	0.5
79.05457	1.7
80.04993	1.7
81.03047	0.4
81.03417	5.0
81.05768	0.8
81.07027	1.9
82.06570	0.6
83.04945	0.8
83.08616	0.4
85.02877	1.9
91.05492	2.7
92.04978	0.8
93.05779	1.2
93.07037	3.0
94.06570	6.1
95.04951	1.6
95.07313	1.9
95.08574	0.7
96.04454	0.7
96.08127	5.7
97.02864	1.7
97.06468	1.7
99.04430	1.1
102.94906	0.5
103.05460	1.3
105.04517	0.6
105.07003	0.8
106.06536	2.2
107.07312	1.1
108.04455	1.4
108.07386	0.7
108.08116	11.3
109.02859	3.2
110.09680	7.3
115.03935	0.7
115.95753	0.5
116.04989	2.9
117.07030	0.6
118.06536	1.2
119.08567	0.6
120.04467	3.0
120.08112	9.6
121.06466	0.7
121.08329	0.5
122.06034	10.6
122.09655	4.2
124.07597	6.9
127.03893	1.8
129.06993	0.9
130.06512	1.0
131.07248	0.7
132.08064	1.3
133.06494	0.6
133.10104	0.6
134.06023	2.6
134.09631	1.0
136.07576	17.9
137.05894	0.7
138.05490	0.8
138.09145	13.7
138.12729	1.2
143.08533	1.1
144.04439	4.8
144.08051	1.4
145.05231	0.7
145.07591	0.5
145.08833	0.9
145.10149	0.5
146.04915	0.8
146.06015	13.5
146.07156	0.9
146.09605	1.3
148.03951	1.0
148.07582	5.9
149.09659	0.5
150.05550	2.3
150.09129	5.3
152.07033	1.9
154.12254	0.5
155.07210	1.1
155.08496	1.0
156.08075	0.8
157.08841	1.0
158.09621	1.1
160.03944	2.3
160.07571	2.2
161.07060	1.5
161.08311	0.6
162.05515	6.3
162.12708	0.7
164.07097	3.2
165.09111	1.2
166.08630	15.2
167.07164	1.5
168.10222	0.7
170.09636	4.5
171.09093	0.6
172.03941	22.1
172.07590	1.9
172.09932	0.7
172.11230	1.4
173.08331	0.9
174.05522	7.2
174.09116	1.4
175.08687	1.4
175.47939	0.6
176.07085	1.0
178.08656	1.2
180.06476	1.0
180.10138	1.0
182.09674	1.2
183.06766	1.1
183.09172	0.9
184.07561	0.9
184.11226	1.8
185.08397	1.1
185.10713	0.8
186.09117	2.1
186.12759	0.7
187.08653	1.0
187.12309	6.0
188.07104	0.8
188.10744	1.6
190.04990	10.0
191.05540	0.6
191.07088	1.0
192.06567	1.2
192.08089	0.6
192.10240	0.6
194.08113	1.0
196.07730	0.5
196.09789	1.4
197.08406	1.3
197.10762	1.4
198.09171	24.2
199.12325	1.9
200.07552	0.7
200.09134	3.1
200.10793	2.0
201.06633	0.7
201.10260	1.2
202.08580	1.1
204.06561	36.8
204.13821	1.0
206.08080	1.8
209.10690	1.0
210.09216	2.7
210.11061	0.7
211.08614	0.7
211.12341	1.9
212.07080	1.1
212.10977	6.7
213.10176	3.9
213.13620	0.8
214.08600	1.4
215.11800	20.8
216.10165	4.2
216.12056	0.9
218.08040	0.7
222.09392	0.6
223.08571	0.9
223.12386	0.8
225.10173	3.9
226.08923	6.2
226.10922	1.0
227.08153	2.2
227.11792	8.4
228.08647	0.8
229.09784	0.9
229.13365	2.3
231.11246	1.3
232.09647	1.6
234.09143	0.6
234.14960	2.8
235.08749	0.9
236.09453	2.0
237.10184	2.1
238.08667	1.2
238.10933	0.7
239.08241	1.0
239.11797	2.4
240.08876	2.7
240.10365	2.3
241.09727	14.5
241.13409	2.3
242.10326	2.6
243.11287	100.0
244.09662	3.1
244.11751	1.5
246.11200	2.8
247.09653	0.7
251.11800	2.6
252.10162	1.4
253.09724	3.3
253.13382	1.2
254.10394	0.7
255.11282	33.0
256.11920	2.5
257.12875	8.4
262.18091	1.8
263.08194	0.6
263.11819	0.8
264.09079	1.6
265.09787	1.2
267.11234	2.6
268.09369	0.5
269.09219	4.2
269.12756	1.0
275.12741	0.7
277.09738	1.2
278.10788	0.8
279.07956	1.0
279.11273	5.3
281.09308	1.1
281.12817	1.8
283.10788	17.7
284.11420	2.3
285.12338	98.8
286.12631	2.3
293.09161	1.7
295.10883	2.5
296.11670	0.7
297.12265	4.8
299.14017	0.7
301.11801	4.0
302.12476	0.7
303.13416	9.9
305.09113	0.6
307.07770	0.6
307.10788	4.5
309.12317	2.1
311.10410	1.2
312.11450	0.5
313.11902	2.3
321.08679	1.0
325.11755	12.0
326.12363	0.7
327.13449	1.1
335.10251	1.1
339.13675	1.7
341.15173	1.1
343.12952	2.4
345.14426	2.6
355.14102	0.6
356.14130	1.0
357.14597	6.9
358.15616	1.4
359.15933	2.3
367.14191	0.7
368.14410	0.7
370.15790	0.7
371.13611	1.0
375.15634	0.8
382.15390	1.1
384.13330	0.7
385.15326	0.9
386.19562	1.3
388.21213	8.0
389.15106	0.6
393.14340	1.8
396.13501	1.4
399.13605	0.6
400.16949	0.9
402.14233	0.6
403.15207	0.8
409.13895	1.4
410.14996	1.2
411.15494	6.2
412.16254	0.9
413.14542	0.8
414.14542	1.2
416.15723	0.7
416.20706	7.4
427.14990	7.7
428.15967	1.7
429.16605	13.0
433.13895	0.6
438.14511	1.0
442.17801	0.7
444.15970	1.9
445.16165	5.8
447.17618	15.0
448.18201	0.9
456.15701	4.1
457.15805	1.1
458.17062	1.0
470.16986	4.3
471.17868	0.8
472.18735	0.8
473.15613	0.6
474.16464	2.4
476.17923	0.9
487.17435	0.7
488.18051	1.3
502.19168	1.0
516.17725	0.7
544.20959	2.5
556.21649	0.7
562.21991	2.8
563.22601	0.9
570.18671	0.9
574.22034	1.2
576.20111	1.5
580.22839	1.9
581.24280	1.3
582.18707	1.4
588.19635	3.4
590.21924	0.8
591.22052	1.1
592.22717	0.6
595.25970	0.7
598.24255	1.4
600.19562	2.6
601.19678	0.6
602.21002	1.0
606.21118	1.7
609.23468	3.6
610.23328	0.9
618.20746	2.7
620.22266	1.5
623.25043	1.6
627.24750	0.8
632.21887	0.7
641.25427	0.7
669.25494	1.0
673.27411	0.8
689.25916	2.8
691.27545	1.9
707.27094	5.4
709.29095	1.0
717.25568	1.8
725.27734	3.4
727.30029	1.8
735.26672	8.2
739.29565	2.2
743.29193	2.4
749.27844	1.4
753.27734	7.7
757.31323	1.4
767.28851	2.2
771.28650	18.8
772.29401	1.0
785.30219	30.4
786.30212	2.1
803.41718	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	803.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.6
67.05457	2.3
68.05025	0.8
69.03426	2.9
69.07041	1.1
70.06572	0.6
71.04961	0.7
73.02873	0.6
79.05464	2.3
80.04980	1.2
81.03410	4.8
81.07022	1.4
82.02911	0.5
82.06553	0.7
85.02866	1.5
89.03893	0.9
91.05478	3.5
93.05731	0.8
93.07007	2.5
94.06564	5.5
95.01269	0.6
95.04935	2.0
95.07319	2.3
95.08580	1.3
96.08118	6.2
97.02872	1.4
97.06499	1.6
99.04417	0.6
103.05413	0.5
105.07006	1.4
106.06526	2.2
107.07292	1.2
107.08594	0.8
108.04466	1.2
108.07393	0.6
108.08118	12.2
109.02869	4.2
110.09087	0.7
110.09682	7.1
115.05404	0.7
116.04998	3.4
118.06498	1.9
119.07254	0.7
119.08563	0.8
120.04469	3.9
120.08092	7.2
121.06408	0.6
122.06017	11.3
122.09669	5.1
124.07590	7.4
127.03902	1.6
129.06966	1.5
130.06462	0.7
132.04437	0.6
132.08064	0.7
134.05959	2.2
134.09677	1.1
136.07571	20.2
137.05974	0.8
138.09132	12.8
143.08566	0.9
144.04419	5.0
144.08054	1.2
146.05997	18.3
146.09685	0.8
148.03911	1.0
148.07538	5.3
150.05495	1.6
150.09142	5.5
152.07030	1.4
154.06471	1.0
155.07208	0.9
155.08499	1.2
156.08075	0.9
157.10043	0.9
158.05968	1.5
158.09541	0.6
160.03972	2.7
160.07541	1.8
160.11108	0.9
161.07120	1.4
162.05486	8.7
162.09105	0.8
163.03848	0.6
164.07037	3.4
165.09091	1.2
166.08633	13.5
167.07173	0.7
168.10196	0.7
169.08795	0.9
170.05922	0.8
170.09622	4.8
171.10397	0.9
172.03931	20.3
172.07542	1.7
172.09909	0.8
172.11208	1.5
173.07066	0.7
173.08321	1.2
174.05524	7.6
174.09131	1.5
175.08626	1.1
176.07047	0.9
178.08621	1.1
180.10330	0.7
182.09642	1.4
182.11832	0.6
183.06700	1.4
183.09145	1.2
184.07574	1.3
184.09836	0.7
184.11298	1.3
185.08379	1.2
185.10765	1.0
186.05429	0.9
186.09093	2.0
187.08658	1.5
187.12286	5.3
188.07043	1.6
188.10710	1.4
190.04993	11.1
190.12364	0.6
192.06535	1.6
194.08165	1.4
196.07626	0.8
196.09789	1.7
196.11375	0.7
197.08365	1.9
197.10696	1.7
198.09157	27.6
199.08601	1.1
199.12294	2.3
200.07213	0.5
200.09375	2.4
200.10721	2.1
201.10254	1.0
201.13780	0.9
202.08495	0.9
204.06544	33.4
206.08105	3.0
207.09209	1.0
208.09837	1.2
209.10678	1.0
210.09100	3.3
210.11206	1.1
211.08617	1.7
211.12257	2.5
212.07278	1.0
212.11003	6.0
213.10078	4.1
213.13759	1.1
214.08711	1.1
214.10612	0.7
215.11789	24.0
216.10229	2.7
220.87242	0.6
221.10732	0.7
222.11394	1.0
223.08612	0.9
223.12317	1.4
225.10172	4.1
226.08928	7.2
226.10866	1.2
227.08070	1.9
227.11752	10.5
228.08818	1.1
229.09692	1.5
229.13362	2.3
230.10379	1.0
231.11249	1.1
232.09824	0.9
234.11336	0.7
234.14899	3.7
235.08644	1.2
236.09311	3.2
237.10252	2.0
238.08553	1.7
238.10817	1.0
239.08028	0.8
239.11839	3.0
240.08882	3.5
240.10326	2.6
241.09691	16.8
241.13316	3.2
242.10402	3.3
243.11273	100.0
244.09488	2.7
244.11871	1.1
246.11270	1.6
247.09877	0.7
249.10423	1.2
250.11038	0.9
251.11740	3.5
252.10258	1.3
253.09703	4.0
253.13403	1.0
254.10541	1.1
255.11267	38.4
256.11899	2.3
257.12827	8.8
262.17960	2.3
263.07840	0.7
263.11838	0.7
264.09055	2.2
264.73230	0.6
265.09808	1.3
266.10718	0.7
267.07834	0.9
267.11243	2.4
269.09210	5.7
269.12646	1.1
271.10605	0.7
277.09613	1.5
278.10495	0.9
279.07986	1.0
279.11218	6.6
280.09518	0.8
281.09146	1.2
281.12811	1.8
283.10770	22.2
284.11459	2.6
285.12320	93.4
286.12640	2.5
291.07739	0.8
292.08307	1.1
293.09119	1.1
295.10822	2.8
297.09009	0.7
297.12283	6.1
299.13940	1.0
301.11819	3.9
301.14792	0.7
302.12604	1.6
303.13379	11.0
305.08789	1.0
307.10748	5.5
309.12430	1.9
311.10251	2.5
311.13651	0.8
313.11841	2.0
321.08725	1.8
325.11813	13.2
326.11978	0.7
327.13376	1.1
329.11414	0.7
335.10278	0.9
337.11349	1.0
339.13315	1.5
341.15182	1.1
343.13013	3.5
345.14536	2.3
346.15567	0.6
357.14462	8.5
358.15802	1.0
359.16080	4.3
371.13580	0.9
371.78470	0.6
375.15594	1.0
384.13046	0.6
385.14438	0.6
386.15146	0.8
386.19650	2.2
388.21210	8.1
393.14368	1.8
396.13623	1.2
400.16785	1.0
403.15216	0.9
409.14035	2.4
411.15546	7.3
414.14410	1.6
416.15854	0.9
416.20691	8.9
417.15521	0.7
427.14981	11.1
428.15756	1.3
429.16528	11.5
430.17221	0.9
444.15439	0.9
445.16071	7.7
446.16757	1.0
447.17563	11.6
448.18192	0.7
456.15552	3.3
457.15695	1.1
474.16602	3.1
475.16794	0.8
544.20728	1.4
546.21844	0.7
556.22144	0.9
558.18781	0.6
562.21826	1.3
565.24542	1.0
570.18506	1.3
574.21545	1.0
576.20020	0.9
580.22900	1.3
582.18634	1.2
588.19733	4.4
591.22467	1.4
592.22650	0.7
598.23737	1.3
599.25134	0.7
600.20026	3.6
602.21692	0.9
606.20752	3.0
609.23419	3.9
610.23816	1.9
618.21136	2.8
620.22766	0.7
627.24640	0.9
689.26324	3.7
691.27161	2.0
707.27087	5.0
709.28461	2.0
717.25336	2.0
721.28259	0.7
725.27826	2.3
727.29108	1.6
735.26477	13.6
739.29034	1.0
743.29065	1.7
753.27728	11.3
767.29022	1.5
771.28711	25.8
772.28802	1.8
785.29950	1.1
803.41608	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	803.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	0.6
67.05473	1.2
69.03441	2.7
71.42834	0.4
73.02860	0.4
75.29427	0.4
78.99120	0.4
79.05450	0.9
80.04993	0.7
81.03380	1.2
81.07029	1.3
82.06558	0.5
83.01315	0.6
85.02901	2.4
89.03902	0.7
91.05439	1.3
93.07005	1.6
94.06564	2.6
95.04953	0.8
95.07310	1.3
96.08134	2.8
97.02859	1.0
97.06482	0.6
99.04429	0.5
105.06985	0.7
106.06478	0.6
108.08112	4.1
109.02845	0.6
110.09686	4.6
116.04981	3.0
119.08541	0.8
120.08109	4.3
122.06033	4.7
122.09640	1.5
124.07594	2.5
126.68625	0.5
127.03873	1.3
134.06024	0.8
134.09610	0.5
136.07578	7.5
138.09142	5.3
144.04437	7.2
145.04974	0.5
146.06009	2.1
148.07578	2.1
150.09117	1.7
152.07048	1.2
160.11198	0.6
162.05539	2.9
164.07098	0.5
165.09117	2.7
166.08633	10.1
167.07074	0.7
168.10210	0.5
172.03935	47.9
173.04279	0.7
174.05522	0.8
187.12276	0.5
190.04988	9.9
198.09149	2.9
204.06563	100.0
205.06906	1.6
206.08075	0.5
209.10779	0.5
211.08649	0.7
215.11824	1.9
222.07735	0.8
225.10277	0.5
226.08801	0.9
227.11821	0.9
234.14897	4.1
235.08693	0.6
236.09494	0.5
237.10223	0.9
239.11842	0.5
241.09853	0.5
243.11296	11.1
247.09647	1.2
249.10315	1.9
251.11885	1.0
255.11382	1.1
257.12860	0.8
262.17975	2.8
264.08893	0.7
265.10077	0.5
267.09042	0.5
269.12839	0.8
271.10703	0.6
273.11618	0.4
275.12726	0.6
277.09763	1.5
279.11356	1.9
281.09378	0.5
283.10794	1.1
285.12372	18.0
286.12750	0.5
289.09399	0.4
297.12213	2.2
307.10803	1.7
313.12152	0.6
321.08350	0.5
325.11841	11.9
329.15137	1.5
334.09311	1.3
339.13593	2.0
340.14380	0.6
341.11520	0.7
342.12308	0.7
343.13025	1.9
344.13556	0.4
354.12360	1.2
355.12958	1.2
356.13919	0.7
357.14444	37.3
358.15277	1.2
366.16003	0.5
367.13232	0.7
368.14029	1.3
369.14874	0.9
370.15961	0.8
380.14319	0.6
382.15744	1.0
384.17584	1.0
386.15228	0.8
386.19778	2.4
388.21140	7.2
396.13492	1.1
397.14169	0.6
398.18774	1.2
412.16675	0.8
416.20682	11.8
438.14560	2.9
443.35129	0.6
456.15646	4.5
458.17303	1.5
476.18256	4.1
487.17075	9.7
488.18021	2.7
519.19873	2.3
591.22052	1.0
593.24048	0.5
595.25781	0.6
609.23413	6.3
623.25494	2.1
625.26636	0.5
641.26062	11.3
771.28241	3.3
785.30060	0.5
803.41107	14.7
804.41205	0.8
815.22748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95911	0.2
67.05500	0.9
67.81541	0.1
69.03429	7.7
70.06583	0.3
71.04983	0.2
76.23432	0.2
79.05482	0.6
80.05016	3.3
81.07056	0.5
82.06582	0.4
83.07349	0.4
84.08133	0.2
91.05478	0.4
93.07051	0.3
94.06567	2.3
95.04951	0.3
95.07352	0.4
95.08585	0.3
96.08129	0.7
98.05977	0.2
99.04458	0.4
100.41683	0.2
105.07035	0.9
106.06541	0.3
107.08609	0.3
108.08114	0.6
109.06527	0.2
109.17559	0.2
110.09699	0.7
117.06960	0.3
119.08595	0.4
120.08086	0.3
121.06488	0.5
122.09666	7.0
122.10558	0.4
123.08052	0.3
123.10497	0.3
125.06001	0.3
127.03901	0.3
128.06247	0.2
130.06487	0.2
132.08066	0.4
133.06441	0.2
134.09656	2.0
135.10449	0.2
136.07565	0.3
136.11224	0.5
137.05995	0.2
138.09152	0.5
138.12788	0.9
143.08524	0.4
145.10208	0.2
146.09647	0.7
148.07568	0.5
149.05951	0.2
150.09146	6.3
151.07578	0.4
152.10681	0.3
155.03372	0.3
155.07024	0.4
159.08018	0.2
160.11246	0.6
162.09175	0.4
162.12732	0.2
163.07471	0.2
165.05518	0.4
166.08669	0.2
167.07072	0.3
168.10201	4.7
171.08037	0.3
175.07623	0.2
179.07091	0.4
180.10115	0.3
181.08603	1.0
182.11708	1.0
183.06532	0.5
188.10625	0.2
189.09161	0.3
193.08636	0.2
194.11743	0.2
200.10727	0.3
204.13843	0.4
205.14807	0.2
206.11739	0.3
207.06531	0.3
208.11482	0.3
208.13338	2.3
216.13795	0.2
217.08670	0.3
232.13229	0.2
234.14908	1.3
242.15474	0.3
247.09682	1.7
249.11221	4.5
249.13782	0.2
260.16446	0.5
262.17963	0.9
270.14948	0.2
274.14343	0.2
275.12778	0.5
284.12778	1.1
299.61868	0.2
302.13889	0.8
302.17191	0.3
314.17490	0.2
316.15408	0.3
318.16968	0.3
328.15436	0.9
330.16962	0.4
342.16873	0.5
358.16458	3.2
364.83298	0.2
381.58408	0.2
388.21176	11.7
389.21362	0.4
398.19547	0.2
401.18439	1.0
416.20657	100.0
417.20972	4.0
609.44263	0.2
739.41083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42019	0.1
67.05514	0.9
69.03429	6.8
69.54561	0.6
71.04989	0.2
79.05487	0.5
80.05014	3.5
81.07056	0.5
82.06567	0.3
83.01340	0.2
83.07359	0.3
83.58662	0.1
91.05511	0.5
93.07039	0.4
94.06567	2.5
95.07347	0.4
95.08626	0.2
96.08121	0.6
99.04463	0.4
105.07018	0.8
106.06552	0.3
107.08572	0.3
108.08132	0.7
109.06532	0.2
110.09654	0.7
112.07519	0.2
119.08570	0.2
120.08099	0.4
121.06505	0.4
121.08900	0.2
122.09664	7.1
123.08057	0.3
123.10474	0.3
124.11264	0.2
125.05997	0.5
126.09325	0.1
127.03930	0.3
128.06242	0.3
129.06989	0.2
130.07849	0.1
132.08089	0.5
133.06519	0.2
134.09634	2.1
136.11241	0.8
138.09132	0.6
138.12781	0.7
141.05472	0.3
142.08588	0.2
143.08543	0.3
144.08215	0.2
145.06487	0.1
145.10046	0.2
146.09648	0.8
147.10461	0.2
147.47296	0.1
148.07547	0.4
148.11133	0.2
149.05931	0.3
150.09137	6.4
151.03926	0.2
151.07475	0.2
153.05562	0.3
155.03383	0.3
155.07047	0.3
158.09627	0.2
159.08057	0.2
160.11230	0.8
161.09578	0.2
162.09166	0.5
162.12798	0.3
164.10733	0.2
165.05464	0.5
165.09187	0.2
167.07045	0.2
168.10197	4.7
169.08780	0.1
169.10326	0.2
171.08049	0.2
176.14316	0.2
179.07063	0.4
180.10204	0.3
181.08595	0.8
182.11775	1.0
183.06569	0.6
186.12779	0.3
188.10739	0.2
189.09138	0.2
190.12106	0.1
191.07181	0.2
200.10741	0.3
202.15935	0.1
204.07906	0.2
204.13814	0.3
206.11731	0.3
207.06654	0.2
208.13329	2.5
216.13747	0.1
217.08586	0.3
219.06558	0.2
231.10059	0.2
233.14056	0.2
234.14925	0.8
246.14955	0.2
247.09659	1.9
249.11214	4.4
260.16422	0.4
261.11371	0.2
262.18216	0.3
270.14838	0.3
274.14404	0.2
275.12842	0.5
284.12784	1.0
290.17416	0.2
302.13974	0.7
304.15634	0.2
314.27438	0.1
316.15500	0.2
319.32315	0.2
328.15558	0.7
330.16974	0.3
340.15491	0.2
342.16989	0.5
358.16492	2.7
370.20053	0.2
388.21173	11.4
389.21487	0.4
398.19702	0.2
401.18378	0.9
416.20660	100.0
417.21002	5.4
418.22336	0.2
803.40356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49467	0.2
66.00107	0.2
67.05511	1.1
69.03061	0.4
69.03435	6.6
69.07085	0.2
69.54971	0.4
69.55363	0.5
70.06590	0.5
71.05032	0.2
79.05496	0.8
80.05016	3.2
81.03419	0.5
81.05818	0.3
81.07051	0.6
82.06587	0.7
83.01352	0.5
83.04974	0.3
83.07378	0.3
84.08176	0.2
85.02921	0.6
86.09721	0.2
87.00831	0.2
91.05478	0.7
93.07052	1.0
94.06576	3.0
95.04956	0.5
95.07345	0.9
95.08603	0.3
96.08134	2.1
97.02888	0.2
97.06564	0.5
98.23440	0.2
98.29402	0.2
99.04456	0.5
105.04497	0.3
105.07027	1.2
106.06561	0.5
107.08605	0.3
108.08132	1.9
109.02907	0.5
109.06525	0.3
109.08916	0.3
110.09682	3.4
117.07056	0.2
118.06487	0.3
119.04925	0.2
119.08519	0.3
120.08116	2.0
121.06525	0.8
122.06073	0.2
122.09670	6.9
123.08064	0.2
123.10488	0.4
124.07599	0.2
125.06002	0.5
127.03915	0.9
128.06252	0.3
129.07021	0.3
131.08589	0.4
132.08096	0.6
133.06494	0.3
133.08919	0.3
133.10115	0.3
134.09659	1.8
135.07999	0.3
136.07605	1.3
136.11209	0.8
137.06018	0.5
137.08359	0.3
137.09566	0.2
138.09151	4.4
138.12772	1.3
141.05450	0.3
142.08644	0.3
143.08588	0.4
146.06007	0.3
146.09645	0.9
147.04463	0.2
147.08046	0.2
148.07585	1.4
149.06023	0.5
150.09148	7.1
151.03911	0.2
151.11076	0.2
152.10739	0.3
155.03387	0.4
155.07076	0.3
155.08652	0.2
159.08063	0.2
160.11201	0.6
161.06013	0.4
161.09622	0.3
162.09126	0.3
162.12779	0.4
163.07611	0.3
163.09955	0.2
164.10774	0.2
165.05481	0.5
165.09128	0.2
166.08644	9.0
167.06972	0.4
168.10202	4.2
171.08154	0.2
172.11224	0.3
173.05916	0.3
173.09689	0.3
174.12823	0.3
176.14386	0.2
179.06985	0.4
180.10185	0.3
181.08643	1.2
182.11774	0.8
183.06525	0.7
184.07399	0.2
186.12708	0.2
187.07500	0.3
188.10742	0.3
189.09030	0.6
200.10709	0.4
201.09171	0.2
204.13927	0.5
206.11780	0.3
207.06563	0.3
208.13324	1.8
215.07109	0.2
216.13957	0.4
217.08601	0.5
218.11610	0.2
219.06561	0.2
225.10150	0.4
227.08171	0.4
231.10152	0.3
233.08105	0.3
234.14871	2.0
237.10170	1.2
238.10857	0.3
239.08197	0.8
241.09807	0.4
242.15492	0.3
244.57596	0.2
247.09712	1.5
249.11234	4.4
251.08058	0.4
253.09758	1.1
255.11322	0.4
260.16580	0.7
262.18063	1.7
265.09735	2.9
266.10657	0.3
267.08008	0.3
267.11356	0.9
269.09268	0.2
270.14719	0.3
275.12805	0.7
281.09189	1.9
283.10709	1.1
284.12918	0.8
287.10373	0.5
293.09152	2.8
295.10773	1.6
299.10342	0.7
302.13776	0.4
309.08731	0.5
311.10287	1.7
313.11905	0.3
321.08798	0.9
327.09735	1.9
328.15414	0.9
330.17078	0.4
331.13187	0.2
339.09760	4.6
341.11404	0.3
342.17111	0.6
353.11368	0.6
358.16504	3.3
359.12372	2.9
359.16473	0.3
371.12344	4.0
372.17587	0.3
386.15140	0.4
386.19647	3.9
387.20209	0.3
388.21210	14.9
389.21539	0.7
398.20102	0.2
401.10162	0.3
401.18307	0.8
414.19244	0.4
415.19583	0.6
416.20682	100.0
417.21011	5.0
418.17581	0.5
446.17245	0.7
448.18707	0.5
464.18173	0.9
474.16873	0.3
492.17667	9.2
506.19037	0.8
524.20300	9.7
740.22955	1.0
772.25183	0.3
803.40271	3.6
804.40149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49467	0.2
66.00107	0.2
67.05511	1.1
69.03061	0.4
69.03435	6.6
69.07085	0.2
69.54971	0.4
69.55363	0.5
70.06590	0.5
71.05032	0.2
79.05496	0.8
80.05016	3.2
81.03419	0.5
81.05818	0.3
81.07051	0.6
82.06587	0.7
83.01352	0.5
83.04974	0.3
83.07378	0.3
84.08176	0.2
85.02921	0.6
86.09721	0.2
87.00831	0.2
91.05478	0.7
93.07052	1.0
94.06576	3.0
95.04956	0.5
95.07345	0.9
95.08603	0.3
96.08134	2.1
97.02888	0.2
97.06564	0.5
98.23440	0.2
98.29402	0.2
99.04456	0.5
105.04497	0.3
105.07027	1.2
106.06561	0.5
107.08605	0.3
108.08132	1.9
109.02907	0.5
109.06525	0.3
109.08916	0.3
110.09682	3.4
117.07056	0.2
118.06487	0.3
119.04925	0.2
119.08519	0.3
120.08116	2.0
121.06525	0.8
122.06073	0.2
122.09670	6.9
123.08064	0.2
123.10488	0.4
124.07599	0.2
125.06002	0.5
127.03915	0.9
128.06252	0.3
129.07021	0.3
131.08589	0.4
132.08096	0.6
133.06494	0.3
133.08919	0.3
133.10115	0.3
134.09659	1.8
135.07999	0.3
136.07605	1.3
136.11209	0.8
137.06018	0.5
137.08359	0.3
137.09566	0.2
138.09151	4.4
138.12772	1.3
141.05450	0.3
142.08644	0.3
143.08588	0.4
146.06007	0.3
146.09645	0.9
147.04463	0.2
147.08046	0.2
148.07585	1.4
149.06023	0.5
150.09148	7.1
151.03911	0.2
151.11076	0.2
152.10739	0.3
155.03387	0.4
155.07076	0.3
155.08652	0.2
159.08063	0.2
160.11201	0.6
161.06013	0.4
161.09622	0.3
162.09126	0.3
162.12779	0.4
163.07611	0.3
163.09955	0.2
164.10774	0.2
165.05481	0.5
165.09128	0.2
166.08644	9.0
167.06972	0.4
168.10202	4.2
171.08154	0.2
172.11224	0.3
173.05916	0.3
173.09689	0.3
174.12823	0.3
176.14386	0.2
179.06985	0.4
180.10185	0.3
181.08643	1.2
182.11774	0.8
183.06525	0.7
184.07399	0.2
186.12708	0.2
187.07500	0.3
188.10742	0.3
189.09030	0.6
200.10709	0.4
201.09171	0.2
204.13927	0.5
206.11780	0.3
207.06563	0.3
208.13324	1.8
215.07109	0.2
216.13957	0.4
217.08601	0.5
218.11610	0.2
219.06561	0.2
225.10150	0.4
227.08171	0.4
231.10152	0.3
233.08105	0.3
234.14871	2.0
237.10170	1.2
238.10857	0.3
239.08197	0.8
241.09807	0.4
242.15492	0.3
244.57596	0.2
247.09712	1.5
249.11234	4.4
251.08058	0.4
253.09758	1.1
255.11322	0.4
260.16580	0.7
262.18063	1.7
265.09735	2.9
266.10657	0.3
267.08008	0.3
267.11356	0.9
269.09268	0.2
270.14719	0.3
275.12805	0.7
281.09189	1.9
283.10709	1.1
284.12918	0.8
287.10373	0.5
293.09152	2.8
295.10773	1.6
299.10342	0.7
302.13776	0.4
309.08731	0.5
311.10287	1.7
313.11905	0.3
321.08798	0.9
327.09735	1.9
328.15414	0.9
330.17078	0.4
331.13187	0.2
339.09760	4.6
341.11404	0.3
342.17111	0.6
353.11368	0.6
358.16504	3.3
359.12372	2.9
359.16473	0.3
371.12344	4.0
372.17587	0.3
386.15140	0.4
386.19647	3.9
387.20209	0.3
388.21210	14.9
389.21539	0.7
398.20102	0.2
401.10162	0.3
401.18307	0.8
414.19244	0.4
415.19583	0.6
416.20682	100.0
417.21011	5.0
418.17581	0.5
446.17245	0.7
448.18707	0.5
464.18173	0.9
474.16873	0.3
492.17667	9.2
506.19037	0.8
524.20300	9.7
740.22955	1.0
772.25183	0.3
803.40271	3.6
804.40149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	28.3
57.07079	3.3
60.05654	5.7
61.02917	5.4
65.03938	8.5
67.05505	88.2
69.03422	10.6
69.07062	19.7
70.06572	1.7
71.04992	16.1
77.03934	3.7
78.52780	1.6
79.05493	58.1
81.03418	9.2
81.07056	61.2
83.04986	6.1
83.08611	8.9
83.68034	1.5
85.02896	3.9
85.06544	19.0
91.03947	1.8
91.05479	67.9
92.05849	1.7
93.07045	59.3
94.06543	2.7
95.01345	2.8
95.04968	73.9
95.08017	2.9
95.08607	42.8
96.05299	1.7
96.08154	3.9
96.08927	1.5
97.02883	4.2
97.06496	9.8
97.10191	5.6
98.22707	5.1
99.04433	2.2
99.08103	2.7
103.05480	3.3
105.04539	3.3
105.07032	58.6
105.07741	3.2
107.04958	16.5
107.07920	3.5
107.08595	35.4
108.08106	2.6
109.06516	69.5
109.10152	14.6
111.04440	2.3
111.08068	4.9
113.06009	46.8
115.05437	4.2
117.07013	27.2
119.08575	41.4
121.06491	8.7
121.10141	18.8
122.09684	6.0
123.08078	9.9
123.11698	4.5
125.09594	4.3
128.06210	5.3
129.07004	15.0
130.07793	3.5
131.08560	41.0
132.08141	1.8
133.06487	6.4
133.10123	26.9
134.09636	2.9
135.08055	44.4
135.11703	13.9
137.05997	2.3
137.09570	3.5
141.06960	6.0
142.07741	2.2
143.08566	18.2
145.06477	4.0
145.10124	29.7
145.41127	1.5
147.08041	7.8
147.11671	21.3
149.06006	1.9
149.09624	9.4
149.13264	7.0
150.09178	3.3
151.11125	1.9
155.08560	6.5
156.46248	1.7
157.10100	13.0
159.08025	5.3
159.11684	24.2
160.11183	2.5
161.09639	9.3
161.13243	12.6
163.11212	5.1
163.14906	2.9
167.08568	1.7
168.10313	1.8
169.10132	8.0
171.11710	14.9
173.09688	1.8
173.11928	2.9
173.13222	12.2
175.11140	5.0
175.14854	5.4
177.12798	6.2
181.10178	3.0
182.11818	3.3
183.11687	5.9
184.07368	2.2
185.13203	8.2
187.11211	6.5
187.14830	4.4
189.12733	4.0
189.16391	2.1
191.14342	1.9
195.11757	3.5
195.13818	3.0
197.13332	4.8
199.11107	2.5
199.14789	6.3
201.12782	4.2
201.16405	2.8
204.13857	1.9
207.13748	2.0
209.13228	2.7
213.16347	2.9
217.15932	17.6
227.17787	2.5
231.17329	1.9
231.20958	2.4
233.15324	1.9
234.14873	20.8
235.14955	2.3
239.13162	1.8
241.14473	1.6
241.19582	11.4
245.19022	1.8
247.09665	3.0
255.17360	4.0
257.19046	6.0
259.20526	18.8
262.17990	16.3
273.18509	31.3
275.13068	2.0
275.20139	3.1
279.15863	15.2
291.19537	89.0
292.19833	2.7
315.23224	7.7
318.17078	2.3
327.26788	5.4
333.24231	38.7
347.22226	7.4
349.23798	2.8
365.23288	21.3
386.19604	6.3
388.20981	15.6
416.20673	57.5
417.20786	2.4
513.36646	3.8
531.38177	6.0
543.36487	2.2
549.39093	2.3
595.43835	2.3
605.41949	18.3
623.43018	100.0
624.43103	7.2
641.44012	23.9
803.40692	50.5
804.39301	3.3
804.52203	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	804.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
65.03940	1.0
67.05502	1.5
68.99792	0.8
69.03431	14.1
69.23343	1.3
69.23738	3.5
70.06611	0.8
71.04986	1.2
79.05488	3.5
80.05020	4.5
80.05427	0.7
81.03422	4.5
81.07053	1.8
82.06571	2.5
83.01343	0.8
85.02904	6.2
87.00835	2.3
91.05494	2.8
93.05785	2.1
93.07046	5.8
94.06553	10.2
95.04987	2.9
95.07351	6.2
95.08635	2.1
96.08131	16.5
97.02900	3.2
97.06524	1.8
99.04444	1.9
103.05466	1.7
105.01890	0.9
105.07044	1.7
107.07353	3.5
108.08121	13.4
109.02881	3.0
109.08972	1.4
110.06035	0.9
110.09682	28.1
111.10012	0.9
115.06252	0.7
120.08109	18.0
121.06493	1.3
122.06020	2.2
122.09663	11.8
123.10021	0.9
124.07611	1.4
125.05945	1.0
127.03882	5.6
134.09676	2.7
136.07573	12.0
136.11180	1.3
136.20872	0.7
137.05963	1.3
137.08339	1.9
138.05545	1.8
138.09138	38.9
138.12799	1.7
143.08559	1.0
145.04970	1.0
146.05998	2.7
146.09595	1.0
148.07552	9.9
149.06055	1.0
150.09142	22.4
151.09445	2.1
152.10670	0.9
154.08678	0.9
159.02861	1.1
159.76945	0.7
162.09138	0.9
165.05611	0.9
166.08638	100.0
167.07092	1.3
167.08975	2.1
168.10213	5.3
172.03821	0.8
180.10146	1.0
181.08749	0.8
182.11737	1.5
184.07352	3.9
189.09134	0.8
190.05037	0.8
194.83559	0.8
199.08746	0.7
204.06592	2.2
204.13905	1.6
206.08215	1.3
208.13452	1.6
211.08629	2.5
213.10149	1.1
220.13420	0.8
223.08701	2.7
224.09454	1.5
225.10225	3.1
227.08247	3.7
234.14891	2.3
235.08815	1.1
235.15323	0.9
237.10216	15.1
238.10837	1.9
239.08147	6.9
239.11842	3.0
240.08723	1.2
241.09723	5.1
247.09464	0.8
248.09743	1.4
249.11327	4.1
250.08705	0.9
250.11389	1.2
251.08194	4.3
252.08896	1.9
253.09711	12.6
254.10382	1.2
255.11232	3.6
262.18115	1.6
263.08252	0.8
265.09723	27.7
266.10406	2.6
267.07834	4.1
267.11288	8.5
269.09180	3.1
275.12659	0.8
277.09631	1.8
279.07825	1.1
280.08597	1.0
281.09201	19.9
283.10760	15.0
287.10300	3.7
293.09198	24.9
294.09824	2.3
295.10745	19.0
296.11307	1.2
297.08777	1.3
298.09534	1.2
299.10181	6.8
301.11801	1.9
302.13684	1.2
309.08734	4.5
311.10257	23.0
312.10553	1.3
313.11850	2.3
320.18677	1.2
321.08667	12.5
325.11920	2.4
327.09732	23.6
328.10245	1.1
329.11450	0.8
339.09753	50.2
340.10172	1.4
341.11420	3.3
342.16980	1.1
343.13300	1.5
344.18250	0.9
350.35620	0.9
353.11295	6.7
358.16217	2.6
359.12405	30.7
359.16650	1.9
360.12982	1.2
371.12381	37.3
372.13016	2.1
386.19559	1.9
387.19888	1.5
388.16687	1.7
388.21201	19.9
389.21423	9.5
400.16489	1.9
401.18173	1.3
414.13855	0.9
416.20679	83.1
417.21014	55.7
418.17273	5.2
418.22363	7.9
428.15610	1.6
436.18695	3.4
446.17154	8.7
448.18497	5.0
456.15585	0.9
464.18060	10.2
474.16602	5.6
478.19003	1.3
492.17667	94.3
493.17929	4.9
506.19089	7.3
524.20288	86.7
525.20386	5.8
557.69604	0.8
654.22791	1.0
740.23035	6.7
772.24792	3.3
803.39404	1.0
804.39813	3.4
805.43286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84834	1.4
79.05497	3.2
90.04692	0.6
91.05484	4.0
93.07071	1.0
95.04965	1.2
103.05479	16.2
105.04523	0.7
105.07035	27.2
107.04947	1.4
113.88390	0.5
115.05460	6.0
117.07034	1.1
118.04177	4.8
119.04955	2.4
120.05753	0.5
121.06504	1.7
123.04379	0.4
130.04178	1.1
131.04936	13.6
132.05690	0.7
133.02849	2.4
133.06497	24.2
135.04486	0.6
135.08044	0.9
143.06064	3.3
146.03645	0.9
147.04407	1.0
148.05202	8.2
149.05991	3.7
151.07509	1.5
153.05522	0.6
156.68225	0.4
161.05983	33.8
162.06413	0.5
163.07552	12.4
167.07056	0.6
173.05951	1.3
176.04718	1.4
176.08311	1.4
177.05492	1.2
177.09140	2.6
179.07045	1.5
181.04964	2.8
181.08623	1.6
191.07040	100.0
192.07439	1.8
193.08618	19.1
197.08093	1.7
205.08597	0.6
207.06534	8.1
208.07236	0.5
209.08101	2.5
209.92003	0.4
217.08597	1.1
219.10097	0.5
225.07779	0.4
251.09094	3.3
267.08691	2.4
273.82227	0.5
277.10751	4.6
321.80426	0.4
381.13174	0.6
393.30600	0.5
475.15823	1.7
617.83978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.2
57.07066	0.3
62.93691	0.3
68.05013	0.8
69.04522	0.7
69.24025	1.1
70.02934	1.1
70.06600	0.3
72.08153	6.6
81.04539	4.6
81.16508	0.3
82.05313	3.7
83.06103	9.0
84.08122	0.4
85.03971	0.3
86.09706	12.4
87.05577	1.0
88.14513	0.3
91.05481	2.3
93.04530	6.8
94.05296	2.5
95.06092	5.8
96.08131	0.4
98.86717	0.2
103.05456	0.4
108.05603	0.7
109.04007	0.6
109.06351	0.8
110.07162	100.0
111.05567	0.7
111.07520	0.6
111.09146	0.7
113.03484	1.0
117.05736	0.3
118.06544	7.9
120.05567	2.6
120.08115	1.5
121.03993	0.7
122.07162	1.2
125.03471	1.1
125.07923	0.3
130.06552	0.5
132.04469	0.8
132.08099	0.3
133.06339	0.9
134.06056	0.5
134.07140	0.5
135.06770	0.3
136.05081	0.7
136.07588	2.9
137.08206	0.4
138.06615	3.1
138.09109	0.5
139.08649	0.6
141.10204	0.6
146.06000	10.7
147.09155	0.8
149.10681	0.3
151.46565	0.3
152.04588	0.3
153.77455	0.3
155.11775	1.1
158.05991	1.5
160.07570	0.5
161.08186	0.4
164.04584	0.5
164.11832	13.3
165.07741	1.5
166.06122	23.0
167.06444	0.3
175.08710	0.3
176.07089	0.4
176.11819	3.8
177.07651	0.4
178.04976	1.6
178.13240	0.3
180.11349	0.4
181.09756	0.8
186.05392	0.6
186.12646	0.3
189.07721	0.9
191.08171	0.3
191.13017	0.5
192.11342	0.8
193.14471	0.6
202.04993	0.8
203.08200	0.6
204.06575	0.5
204.08838	0.4
204.13766	0.4
205.07208	0.9
206.10356	0.5
207.08710	0.6
208.10828	2.3
209.13968	8.1
214.12259	0.9
215.05560	0.3
219.12366	0.7
220.10805	17.7
221.11035	0.3
229.06219	0.3
230.04460	0.9
232.08223	0.4
233.06711	1.9
234.09193	0.3
236.10689	0.3
236.15048	0.7
237.13454	41.8
238.13744	0.5
242.11732	0.3
244.66615	0.2
247.07164	0.8
250.09370	1.6
251.11806	0.3
252.09935	0.8
253.16632	0.2
254.16307	0.3
260.07693	0.3
261.06372	0.3
264.10202	0.4
277.15619	0.4
288.14575	2.8
289.15302	1.3
300.14435	1.5
303.95389	0.3
305.17212	0.6
314.12454	2.2
315.13525	0.6
318.15536	0.4
328.14056	0.9
331.15167	0.7
332.13348	1.5
349.16147	6.6
352.93979	0.3
360.15607	0.4
377.18140	3.9
391.17191	0.8
403.16470	0.6
405.17691	6.6
418.20862	0.4
444.23816	0.3
445.21936	0.3
462.19492	0.7
462.24783	4.7
522.23480	0.8
523.22119	0.3
527.91071	0.2
528.21826	0.4
540.24725	0.8
550.22949	6.5
551.21954	0.5
568.23999	11.6
569.23877	0.6
665.79669	0.3
687.28619	0.6
691.27655	0.4
698.32178	0.4
705.29956	2.9
715.27704	0.3
723.82446	0.3
733.29193	0.5
758.36414	0.3
769.34265	0.4
776.36957	0.7
786.35706	1.7
787.34802	0.3
804.36731	13.1
805.36865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.2
57.07066	0.3
62.93691	0.3
68.05013	0.8
69.04522	0.7
69.24025	1.1
70.02934	1.1
70.06600	0.3
72.08153	6.6
81.04539	4.6
81.16508	0.3
82.05313	3.7
83.06103	9.0
84.08122	0.4
85.03971	0.3
86.09706	12.4
87.05577	1.0
88.14513	0.3
91.05481	2.3
93.04530	6.8
94.05296	2.5
95.06092	5.8
96.08131	0.4
98.86717	0.2
103.05456	0.4
108.05603	0.7
109.04007	0.6
109.06351	0.8
110.07162	100.0
111.05567	0.7
111.07520	0.6
111.09146	0.7
113.03484	1.0
117.05736	0.3
118.06544	7.9
120.05567	2.6
120.08115	1.5
121.03993	0.7
122.07162	1.2
125.03471	1.1
125.07923	0.3
130.06552	0.5
132.04469	0.8
132.08099	0.3
133.06339	0.9
134.06056	0.5
134.07140	0.5
135.06770	0.3
136.05081	0.7
136.07588	2.9
137.08206	0.4
138.06615	3.1
138.09109	0.5
139.08649	0.6
141.10204	0.6
146.06000	10.7
147.09155	0.8
149.10681	0.3
151.46565	0.3
152.04588	0.3
153.77455	0.3
155.11775	1.1
158.05991	1.5
160.07570	0.5
161.08186	0.4
164.04584	0.5
164.11832	13.3
165.07741	1.5
166.06122	23.0
167.06444	0.3
175.08710	0.3
176.07089	0.4
176.11819	3.8
177.07651	0.4
178.04976	1.6
178.13240	0.3
180.11349	0.4
181.09756	0.8
186.05392	0.6
186.12646	0.3
189.07721	0.9
191.08171	0.3
191.13017	0.5
192.11342	0.8
193.14471	0.6
202.04993	0.8
203.08200	0.6
204.06575	0.5
204.08838	0.4
204.13766	0.4
205.07208	0.9
206.10356	0.5
207.08710	0.6
208.10828	2.3
209.13968	8.1
214.12259	0.9
215.05560	0.3
219.12366	0.7
220.10805	17.7
221.11035	0.3
229.06219	0.3
230.04460	0.9
232.08223	0.4
233.06711	1.9
234.09193	0.3
236.10689	0.3
236.15048	0.7
237.13454	41.8
238.13744	0.5
242.11732	0.3
244.66615	0.2
247.07164	0.8
250.09370	1.6
251.11806	0.3
252.09935	0.8
253.16632	0.2
254.16307	0.3
260.07693	0.3
261.06372	0.3
264.10202	0.4
277.15619	0.4
288.14575	2.8
289.15302	1.3
300.14435	1.5
303.95389	0.3
305.17212	0.6
314.12454	2.2
315.13525	0.6
318.15536	0.4
328.14056	0.9
331.15167	0.7
332.13348	1.5
349.16147	6.6
352.93979	0.3
360.15607	0.4
377.18140	3.9
391.17191	0.8
403.16470	0.6
405.17691	6.6
418.20862	0.4
444.23816	0.3
445.21936	0.3
462.19492	0.7
462.24783	4.7
522.23480	0.8
523.22119	0.3
527.91071	0.2
528.21826	0.4
540.24725	0.8
550.22949	6.5
551.21954	0.5
568.23999	11.6
569.23877	0.6
665.79669	0.3
687.28619	0.6
691.27655	0.4
698.32178	0.4
705.29956	2.9
715.27704	0.3
723.82446	0.3
733.29193	0.5
758.36414	0.3
769.34265	0.4
776.36957	0.7
786.35706	1.7
787.34802	0.3
804.36731	13.1
805.36865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	20.2
57.07072	1.8
59.05008	7.7
61.02927	4.7
65.03938	1.8
67.05508	66.7
68.05820	0.8
69.03426	4.8
69.07070	12.1
71.01344	2.9
71.04993	7.5
73.02927	3.2
73.03275	0.6
74.89187	0.5
77.03922	0.9
79.05497	32.6
81.03422	18.2
81.07060	32.6
83.01337	8.7
83.04983	15.5
83.08624	20.3
85.02911	18.0
85.06549	3.1
87.04465	4.2
91.03960	1.8
91.05483	21.9
91.06059	1.2
93.07049	28.5
95.04974	11.5
95.08612	14.4
96.08098	1.0
97.02903	7.3
97.06522	7.8
97.10177	13.2
99.04467	3.6
99.08080	1.0
103.03966	1.1
103.05493	1.0
105.04514	1.8
105.07034	13.1
106.07333	0.5
107.04958	11.1
107.08595	18.7
109.06528	7.4
109.10162	50.5
110.90898	0.5
111.04437	4.8
111.08114	4.6
111.11756	0.9
111.85375	0.5
113.06026	0.6
115.05391	0.7
116.04708	1.0
117.07029	9.3
119.06099	0.5
119.08587	14.9
121.06529	4.3
121.10150	10.0
122.09665	1.1
123.04484	1.1
123.08074	8.6
123.11729	0.8
125.05997	2.3
125.09636	13.9
127.03928	1.2
127.11147	0.6
129.05499	2.5
129.07034	3.2
130.07765	0.9
131.08571	4.9
133.10141	3.6
135.08110	3.0
135.11687	13.2
137.09625	3.8
138.12790	0.9
139.07503	1.4
139.11263	0.6
143.08560	1.1
143.10651	3.0
145.06363	0.8
145.10135	17.1
147.08075	3.6
147.11684	1.2
149.09659	1.7
151.11176	1.4
153.09056	0.7
153.12740	5.4
155.08571	1.3
155.10632	3.3
157.10159	1.0
161.09660	0.6
163.11188	30.2
165.09088	0.8
173.09656	3.7
173.11742	14.7
175.11119	0.7
181.12245	6.9
182.11809	0.7
189.11255	0.7
191.10664	5.9
193.12262	2.6
199.13281	7.4
204.13812	1.3
208.13293	0.6
209.11720	16.3
211.13330	1.5
227.12775	16.5
229.14355	53.3
233.86324	0.7
234.14839	3.0
235.15259	1.4
238.82428	0.6
245.13802	0.8
257.13815	1.3
262.18127	2.7
263.18314	1.2
265.14355	2.1
267.15875	3.9
283.15402	100.0
284.15793	2.0
301.16464	16.3
311.14801	2.2
355.74918	0.5
387.19894	1.1
388.21188	5.8
389.21512	1.7
399.23767	13.9
407.24213	2.7
416.20648	4.8
417.20856	4.5
418.22141	3.2
425.25421	6.5
437.25351	39.9
438.25607	1.6
475.26794	1.5
491.26614	3.6
493.27789	1.7
509.27414	12.4
527.28473	2.7
607.34766	25.7
608.35266	1.4
804.40302	7.3
805.42932	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	804.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.5
57.07070	2.4
61.02939	2.2
65.03938	3.6
67.05505	75.4
69.03439	9.9
69.07073	16.3
71.04996	9.8
73.02911	1.6
79.05494	43.2
81.03419	88.9
81.07057	67.2
83.01363	3.3
83.04980	15.9
83.08618	24.2
85.02903	6.0
85.06564	6.3
87.04473	1.3
89.24333	1.0
91.05482	62.3
92.05851	1.3
93.07046	44.5
94.07355	1.0
95.04969	36.1
95.08610	25.9
97.02899	3.9
97.06506	7.2
97.10167	6.1
99.04472	2.7
99.08099	2.4
101.06056	1.3
105.04507	3.0
105.07031	50.0
105.76556	1.2
107.04958	16.0
107.08595	38.3
109.02886	1.7
109.06506	11.7
109.10156	57.8
111.04449	3.0
111.08081	9.8
113.06001	2.2
115.05457	1.9
117.07007	11.0
119.04910	1.6
119.08589	24.7
121.06508	10.9
121.10136	13.6
122.09689	1.4
123.04441	2.7
123.08097	6.2
123.11717	8.4
125.05977	1.5
125.09592	6.0
127.07549	2.6
128.06227	2.4
129.06993	11.7
131.08563	17.4
133.06522	8.1
133.10130	63.6
135.08078	7.7
135.11694	11.4
137.09624	6.0
138.12813	1.6
139.07611	1.2
141.07014	1.5
142.07814	3.0
143.08571	7.5
145.06512	2.5
145.10133	13.8
147.08051	8.0
147.11678	9.0
149.09630	10.4
149.13309	1.6
151.11169	29.2
153.12712	2.1
155.08578	2.3
157.10129	12.3
159.08081	3.3
159.11681	3.6
161.09596	6.8
162.12732	1.3
163.11182	13.8
165.05373	1.0
165.09151	1.8
165.12813	2.7
168.10182	1.1
169.10106	1.3
169.12273	4.8
171.11736	3.2
173.09682	3.5
173.11766	4.3
173.13182	1.6
175.11171	10.3
177.09097	1.5
179.10680	3.4
181.12227	1.6
184.07372	2.0
185.09686	2.0
185.13303	1.2
187.11142	1.4
189.12776	2.9
191.10625	2.2
193.12256	23.4
204.13751	1.9
205.12151	1.6
209.11671	2.6
211.13329	2.9
215.12796	2.2
219.13881	2.1
227.12749	13.0
227.17984	2.4
229.14366	13.6
234.14877	5.3
235.15265	1.5
245.18985	3.2
247.09651	1.5
248.10202	1.3
249.14903	1.9
253.14346	90.8
254.14656	2.1
255.17500	1.4
262.18066	2.7
263.20367	2.0
267.15912	75.7
268.16324	1.9
273.18494	13.5
283.15402	24.0
287.20074	8.9
291.19513	18.2
301.16586	2.5
309.20859	2.1
325.21390	1.2
327.70789	1.0
343.22314	1.7
344.18600	1.1
347.22189	6.3
365.23236	32.3
385.23587	1.2
388.21207	13.5
389.22076	3.9
399.23730	2.0
403.25446	1.1
407.24194	1.7
416.20746	11.0
417.20990	10.5
418.22247	7.4
421.25928	2.8
437.25394	11.1
445.25809	17.6
447.28531	2.4
459.27386	4.6
461.24988	2.6
463.20709	1.5
463.26904	29.4
464.27026	1.5
465.30014	4.2
475.26199	1.4
477.28369	1.4
483.31058	3.1
509.27261	3.1
539.33691	17.8
557.34760	100.0
558.34753	3.5
575.35638	4.6
607.34668	5.7
669.39764	2.2
687.40637	1.4
804.40918	17.2
805.42743	9.8
823.67072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.2
57.03439	2.5
57.07079	7.1
61.02926	5.0
63.29369	0.4
64.24059	0.4
67.05511	9.2
68.05035	1.0
69.03436	7.6
69.07078	3.5
69.40569	0.4
69.85086	1.0
70.06599	5.8
71.01363	0.7
71.04997	80.0
71.08630	4.1
72.04530	0.5
72.05345	0.5
73.02921	3.8
79.05498	7.5
80.05024	0.8
81.03428	3.4
81.07065	7.0
81.27110	0.4
82.06602	0.5
83.04990	1.0
83.08628	2.8
84.08151	4.0
85.02910	4.6
85.10188	2.5
85.14602	0.3
86.06073	3.8
87.04498	0.6
88.03995	4.1
91.03956	1.9
91.05486	3.0
93.07065	3.9
94.06567	1.0
95.04990	1.5
95.08614	5.2
96.08136	9.1
97.02903	5.0
97.06537	0.6
97.10175	4.7
98.06067	3.0
99.04485	0.7
101.02412	1.1
102.05551	0.5
105.07066	1.7
106.06572	1.4
107.04974	0.7
107.08601	3.0
109.02882	0.7
109.06537	0.7
109.10172	3.3
111.08099	1.3
112.07617	6.4
115.03948	0.5
117.07059	1.5
118.77200	0.4
119.08630	1.1
121.06561	0.4
121.10228	0.5
122.09703	1.1
123.08036	0.9
123.11749	0.6
124.07587	3.2
124.08387	0.5
125.09629	3.0
127.03938	0.7
129.07042	0.6
131.08580	0.8
131.83662	0.4
133.10204	0.8
134.09714	0.4
135.08092	2.1
138.12820	0.4
140.07135	0.8
141.07860	0.4
142.08635	4.5
145.10152	0.5
149.06024	0.4
150.09167	0.7
153.09158	1.5
158.08156	4.8
163.11151	0.5
168.83141	0.4
170.08128	2.3
182.11810	0.6
189.11267	0.8
202.10704	0.5
204.13899	0.5
227.12772	3.0
229.14482	0.7
234.14960	1.6
235.15306	1.2
247.09756	0.5
248.16556	0.8
262.18195	1.2
263.18463	1.0
267.15924	0.8
281.17670	0.6
313.27350	5.0
314.27728	0.6
326.14954	0.4
335.25882	0.6
386.19604	0.8
387.20273	0.6
388.21344	3.6
389.21695	1.5
416.20709	2.6
417.21030	4.1
418.22238	2.5
624.44055	0.5
642.45416	2.1
758.50342	0.6
804.51343	100.0
805.54047	4.5
812.37549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03384	0.9
65.03898	1.2
66.19714	0.7
67.02139	0.7
67.05428	2.7
69.03362	5.7
69.07023	0.9
70.06512	3.0
71.04922	1.0
71.46767	0.7
79.05493	3.8
80.04938	3.0
81.03351	1.9
81.06974	2.5
82.06528	1.4
83.01285	1.5
83.07305	1.3
83.08553	0.8
84.08071	1.0
85.02828	2.5
86.09675	1.2
91.05482	4.9
93.07038	4.1
94.06568	8.2
95.04881	3.7
95.07255	2.8
95.08556	1.9
96.08136	9.5
97.02818	2.1
97.06458	1.9
98.06048	0.8
99.04367	1.9
103.05421	1.1
105.07019	3.2
106.06475	1.3
107.04881	1.7
107.07273	1.3
107.08507	2.1
108.04404	1.8
108.08128	10.9
109.02829	1.8
109.06454	1.6
109.10123	1.3
110.09685	8.4
111.04382	1.0
111.08044	1.0
115.05381	1.7
117.06933	2.4
118.06483	1.6
119.08500	1.8
120.04406	2.5
120.08114	9.0
121.06390	2.0
121.10130	0.8
122.06041	6.4
122.09666	6.6
123.04365	1.4
124.07502	3.0
124.11183	1.1
125.05869	1.1
126.09063	0.8
127.03836	2.9
128.10658	0.8
129.06943	1.6
131.04849	1.2
131.08513	0.9
132.08032	1.2
133.06415	1.3
133.10033	0.8
134.05896	2.1
134.09578	1.5
135.04353	0.7
135.08005	0.9
136.07573	10.6
136.11234	3.6
137.05873	1.2
138.05437	1.6
138.09143	12.8
138.12770	7.3
144.04333	2.1
145.06384	2.1
145.10028	1.4
146.06032	5.5
147.08023	0.7
147.11598	0.9
148.07603	4.1
149.05878	1.2
150.05412	0.7
150.09155	7.5
151.07468	2.0
152.07014	1.1
152.10623	0.9
153.05382	1.5
155.03362	1.0
155.07031	1.4
158.09698	0.8
159.07986	1.1
159.11661	0.8
160.03827	2.8
160.11156	0.8
162.05434	1.6
162.09009	1.0
162.12738	1.9
163.03839	0.7
164.07001	1.8
164.10638	1.1
164.14281	1.2
165.05405	1.2
166.04955	1.0
166.08635	15.2
167.07066	12.3
168.10181	1.6
172.03929	8.3
173.05946	3.3
173.09608	1.2
174.05539	3.8
174.12682	0.7
175.07526	1.2
175.11108	1.0
176.07027	1.3
176.14278	2.3
177.05373	1.3
177.09018	0.8
179.07019	1.0
179.10556	1.1
181.04965	8.4
182.11740	3.7
183.06442	1.2
184.07332	2.1
184.09903	0.8
186.05482	0.9
187.07460	0.8
190.04953	7.3
190.12245	0.8
191.06915	1.1
195.06464	1.2
197.10774	0.9
199.12386	0.8
204.06529	6.2
204.13779	3.1
205.08562	1.5
206.15248	0.9
208.11186	0.7
208.13206	1.2
209.08087	1.0
211.12216	1.1
212.09386	1.6
214.12440	0.7
217.08560	1.1
219.08026	1.5
220.07457	2.5
220.75424	0.7
223.08583	1.0
223.12117	1.3
224.09325	1.3
225.10246	4.9
226.10921	0.7
227.11783	5.9
233.08185	1.5
234.14838	1.5
236.09448	1.1
236.16383	1.5
237.10201	6.0
238.11053	1.5
239.08110	0.8
239.11899	3.8
241.09460	1.1
245.12871	1.8
246.09088	4.2
246.14749	2.4
247.09528	2.6
249.10364	1.3
250.11002	1.2
251.08011	1.5
251.11867	3.9
253.09863	3.7
253.13315	0.7
255.11284	3.5
262.17819	1.0
263.11850	1.3
264.10062	2.8
265.09726	10.4
266.10385	2.0
266.17542	1.0
267.11285	3.4
269.12750	1.7
271.10696	2.1
273.11014	4.7
275.12805	5.6
277.09763	1.3
279.11282	5.7
281.09662	1.0
281.12793	1.9
283.10684	2.7
284.11417	1.0
285.12189	2.3
287.13824	2.1
289.12277	0.9
291.11185	1.1
293.09366	4.8
294.20657	0.9
295.10867	1.7
297.12347	4.5
299.13995	1.4
305.12753	6.4
307.10757	4.0
309.12225	1.8
312.15356	0.9
313.11786	1.1
314.17242	1.0
315.13531	1.0
320.18561	6.9
323.10236	1.3
325.11807	5.3
326.12402	0.9
327.13455	1.3
328.10815	0.8
328.14468	1.2
335.10275	2.2
337.11700	0.8
339.13474	0.9
342.12567	1.3
342.16501	0.7
343.13055	1.6
344.18427	3.8
346.20068	1.0
353.11273	1.1
355.12961	1.4
356.13992	1.0
357.14188	2.9
358.15674	1.2
360.21750	1.2
370.15503	1.6
374.14920	1.0
376.16739	1.5
385.12759	3.1
386.14786	1.0
386.19348	1.1
388.21182	100.0
389.21594	5.8
390.22168	1.4
397.13437	1.2
398.14978	2.5
399.15588	3.0
400.16205	0.8
404.16110	1.4
415.14456	1.1
416.15692	4.0
416.20728	3.2
417.16080	1.5
417.20993	4.1
418.22226	55.2
419.22476	1.2
434.17255	1.2
435.23898	1.4
440.16620	1.8
441.16574	0.9
446.17252	1.2
455.14539	1.0
458.17065	2.6
467.14362	3.3
469.16486	1.1
476.17920	1.3
485.15558	0.9
487.17300	1.5
488.18671	1.1
497.15930	1.0
547.26819	2.1
548.20343	1.2
573.24554	1.2
576.24731	0.9
578.21588	1.5
586.22028	0.9
593.23956	0.9
594.24438	0.9
604.23303	2.1
609.23022	4.9
611.24982	8.8
614.21484	1.6
620.22552	1.2
622.24109	3.7
632.22437	1.5
643.24127	4.8
650.23438	48.8
651.23334	3.3
654.27496	1.3
682.25989	11.6
683.26819	0.9
729.31549	1.1
751.33575	1.1
755.29352	4.0
769.34564	3.3
773.30267	33.5
774.30737	2.0
804.42157	0.9
805.42773	54.2
806.43018	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	805.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75062	0.5
65.03902	0.8
67.05442	1.8
69.03364	3.8
69.07026	0.6
70.06538	1.3
71.04922	1.0
79.05481	2.6
80.04955	1.8
81.03358	1.2
81.07041	2.5
82.06520	1.1
83.01287	1.1
84.08117	0.7
85.02830	1.0
91.05471	2.7
93.05738	0.8
93.06967	2.5
94.06577	3.1
95.04937	1.1
95.07288	0.8
95.08511	0.8
96.08112	4.9
97.02818	0.8
99.04425	1.0
105.06950	1.6
106.06518	0.9
107.08517	1.6
108.04406	0.8
108.08115	4.3
109.06445	1.2
110.09699	3.4
111.08045	0.6
117.06957	0.6
119.08517	1.2
120.04385	1.1
120.08092	3.5
121.06460	1.2
121.10105	0.6
122.06030	2.5
122.09675	3.0
124.07533	1.3
125.05964	0.7
127.03835	1.6
128.10675	0.6
129.06981	0.8
131.08499	0.9
134.05969	1.0
134.09557	1.4
135.08011	0.9
136.07596	4.6
136.11118	2.4
138.05464	0.6
138.09125	4.1
138.12785	5.5
144.04437	0.7
145.06451	0.9
145.10042	1.2
146.05939	2.4
147.07936	1.0
148.07568	3.0
148.11179	0.8
150.09132	3.5
152.10609	0.6
155.03294	1.1
155.07013	0.7
155.08412	0.5
159.08009	0.6
162.05432	0.9
162.09073	0.5
162.12711	1.4
163.07315	0.5
164.07106	0.8
164.10660	1.1
164.14253	1.6
165.05400	0.9
165.09073	0.7
166.08627	6.0
167.06989	1.7
168.10147	1.1
172.03915	3.1
173.09579	0.7
174.05464	1.5
175.07509	1.0
176.14243	1.3
182.11682	2.1
183.06447	1.1
184.07387	0.8
184.13344	0.7
186.12675	0.6
186.52382	0.6
187.13470	0.5
190.04985	3.2
190.12105	0.7
204.06567	2.6
204.13826	2.9
217.08606	0.9
221.08189	0.6
225.10130	1.9
227.11777	2.6
234.14926	0.7
236.16304	1.7
237.10287	3.2
238.10883	1.0
239.11668	0.9
241.09627	0.6
246.14743	1.9
247.09538	2.4
249.10983	0.8
251.11761	1.5
253.09724	1.2
255.11179	1.3
260.16406	0.8
262.17804	0.9
263.08963	1.0
265.09695	3.0
267.11307	1.3
269.12863	0.9
271.10788	1.2
273.11130	3.7
275.12772	5.3
279.11194	3.1
283.10724	1.3
283.98849	0.7
285.12140	1.3
287.05496	0.8
287.13812	0.6
293.09122	1.9
295.10712	1.2
296.11652	0.8
297.12234	1.2
307.10660	1.5
314.17419	0.6
320.18588	4.4
323.09821	0.7
325.11801	1.6
335.10254	1.0
340.14575	0.6
342.12384	0.9
342.16028	0.7
343.13239	0.8
344.18375	3.9
346.20001	0.6
355.12860	1.2
357.14526	0.8
360.17682	1.1
360.21805	0.8
380.13806	0.6
386.19180	0.7
388.21176	100.0
389.21457	5.8
390.21933	1.0
398.14914	1.8
399.15579	2.0
415.14920	0.8
416.15903	1.2
416.20776	3.3
417.21036	2.9
418.22263	64.8
419.22604	2.3
440.16541	0.6
446.16934	0.7
469.16165	0.8
560.20282	0.8
602.21326	1.0
609.23206	1.5
611.24799	2.6
622.24133	1.5
632.22394	0.9
643.27704	0.8
650.23395	16.1
682.25909	4.8
712.30438	0.6
713.29230	0.9
719.26703	0.7
727.30798	0.7
755.29205	24.1
756.30316	1.3
773.29828	0.8
787.31989	2.2
805.42639	27.3
806.42468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71233	0.7
65.03947	1.4
65.68466	0.7
69.03423	4.1
70.06619	1.6
71.04993	1.5
77.63088	0.8
79.05518	2.0
80.05033	1.8
81.03436	2.2
81.07072	2.3
83.01378	1.1
84.08157	0.7
85.02888	4.2
91.05518	3.0
93.05793	1.1
93.07038	3.7
94.06564	6.7
95.05007	1.3
95.07375	2.3
96.08133	8.2
97.02923	1.4
103.05499	1.7
105.07055	2.0
106.06569	2.2
107.07394	0.8
107.08611	1.2
108.04501	1.6
108.08131	9.9
109.02889	1.1
110.09681	7.5
116.04996	2.2
117.06982	0.9
119.08649	1.5
120.04483	4.3
120.08102	8.0
122.06049	4.4
122.09702	2.7
124.07596	7.8
124.08299	0.7
127.03936	1.3
129.97351	0.8
134.06046	2.1
134.09657	1.1
136.07578	9.5
136.11249	1.6
138.05553	1.3
138.09148	12.1
138.12793	6.3
143.08636	0.9
144.04398	4.3
145.10075	0.8
146.05984	6.4
148.07594	4.5
150.05530	0.9
150.09190	1.9
151.07503	0.8
152.07155	2.2
152.10796	1.0
155.03438	1.1
158.09738	0.8
160.04008	3.0
160.07642	1.3
162.05557	3.5
162.12801	1.0
164.07147	0.9
164.14459	1.3
166.08638	16.8
167.07167	2.5
172.03934	26.4
172.07550	1.1
174.05589	2.8
174.09224	0.8
176.07129	3.5
176.14366	1.6
180.08084	1.1
182.11754	1.7
186.09230	1.0
189.09145	1.0
190.04979	17.4
192.06464	1.0
195.57404	0.8
196.10101	0.8
197.10820	2.3
198.11569	0.9
199.08673	1.3
199.12389	2.3
204.06569	34.6
204.13947	2.6
205.06952	0.9
209.10770	2.1
210.09398	0.8
211.08771	3.5
211.12318	0.8
212.09500	1.9
213.10387	1.3
223.12367	1.4
225.10252	8.8
227.11807	14.8
229.13478	0.7
236.09457	2.0
236.16545	1.3
237.10136	3.8
238.11143	1.1
239.11806	4.6
241.09984	0.9
241.13284	0.8
245.12923	0.9
246.15083	1.1
249.10388	2.5
250.11041	1.0
251.08263	1.3
251.11765	3.9
253.09781	6.5
253.13097	0.9
255.11372	1.7
257.13092	0.9
263.08752	1.1
263.11807	1.9
264.09137	3.2
265.09738	1.6
266.10626	1.3
267.11292	3.8
269.12881	17.1
271.10770	8.2
271.13184	0.7
273.12262	2.9
274.20239	0.7
275.12857	2.7
277.09970	2.3
278.10645	0.9
279.11261	5.4
281.12906	2.0
283.10733	6.1
284.11508	4.6
285.12350	4.7
286.13254	1.3
287.13962	13.9
291.11310	1.1
293.09488	1.2
294.10172	1.3
295.10980	2.1
296.12164	0.9
297.12350	9.4
299.14215	3.9
300.12073	0.8
302.13190	0.8
307.10721	3.6
309.12332	1.2
311.10425	1.1
311.14499	1.0
312.11890	1.1
312.15070	2.4
313.13055	1.1
314.12976	1.0
315.13986	1.4
316.11157	1.6
316.14456	1.6
319.10883	1.0
320.18735	3.2
321.12305	1.5
323.10233	7.6
325.11804	21.9
326.16666	1.1
327.13742	2.9
327.17444	1.1
328.10953	2.0
328.14655	2.7
329.15463	1.1
330.16278	2.8
331.16910	1.7
337.11905	2.1
338.13248	0.8
339.14093	1.2
341.11826	1.9
342.12527	8.2
342.16302	2.2
343.12979	5.2
344.14172	1.4
344.18604	2.3
344.34686	0.9
346.19843	1.1
352.14767	1.2
353.12662	1.2
354.12402	1.7
354.16412	1.8
355.13312	1.9
356.13950	6.9
356.17291	0.7
357.14508	17.5
358.15491	5.1
365.11578	1.7
367.13580	1.5
368.13998	1.1
369.15186	1.4
370.11661	1.4
370.15729	5.6
371.16660	1.5
372.17648	1.5
378.18359	2.6
380.14069	1.9
382.11789	4.1
383.12939	2.3
384.13171	3.8
384.17715	1.5
385.14218	4.1
386.15140	2.0
386.19135	3.5
388.21194	44.6
389.21790	1.6
390.18207	2.6
397.15051	1.4
398.14999	20.8
398.20258	1.1
399.15848	25.8
400.16656	1.5
401.14163	1.0
402.18536	1.9
404.15945	6.9
412.16833	2.4
414.18475	5.1
414.23126	0.9
416.16016	16.9
417.16376	2.2
418.22278	18.4
418.27304	1.3
422.16095	1.4
428.16125	5.9
430.17642	3.7
440.16217	7.8
441.15744	1.3
446.17224	9.7
458.17139	27.1
459.17950	1.1
473.81949	0.8
478.20193	2.1
487.17142	7.9
490.19781	10.7
490.26230	1.0
491.20255	0.9
541.24493	1.1
565.24103	1.2
567.26752	1.3
569.23712	4.3
583.25269	1.6
593.23816	6.1
611.25000	100.0
612.25195	6.5
626.25403	2.8
643.27881	13.8
644.27863	1.4
773.30212	22.9
774.30743	1.0
788.31171	1.3
805.42798	43.6
806.43408	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	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
62.71409	1.1
64.83025	0.9
67.05509	1.6
69.03434	6.4
69.07078	2.2
69.20272	1.9
69.20678	3.4
70.06598	2.0
71.04996	1.5
77.04016	0.9
79.05515	2.9
80.05045	2.3
81.03442	3.4
81.07082	3.1
82.06569	1.3
83.04958	1.1
83.07366	1.4
85.02919	3.3
86.44743	0.9
91.05520	3.8
93.07081	4.0
94.06582	4.4
95.04981	2.0
95.07386	1.2
95.08643	3.4
96.08121	7.4
97.02933	1.8
98.22742	1.7
99.04509	0.9
100.11299	1.2
101.82729	0.8
105.07063	2.7
106.06647	1.4
107.05006	1.0
107.08620	1.6
108.04554	0.9
108.08116	7.5
109.02896	1.2
109.06541	1.4
109.10133	1.5
110.06077	0.8
110.09686	9.5
111.08158	1.1
113.51254	1.0
117.07043	1.2
119.08599	2.5
120.08125	8.0
121.06530	1.2
121.10198	1.0
122.06044	5.9
122.09692	2.7
123.08145	1.1
124.07634	2.0
126.09200	1.0
127.03929	1.8
131.08595	1.6
134.09659	1.4
136.07574	8.5
136.08501	1.0
136.11191	2.5
137.05943	1.3
138.09154	12.1
138.12813	6.0
142.07932	0.8
145.06493	1.0
145.10129	1.5
146.05994	1.2
147.11784	1.1
148.07596	5.4
150.09216	3.7
151.07561	8.1
155.07149	1.3
159.08217	1.3
160.11249	0.9
162.12886	1.7
164.07114	2.0
164.10712	1.7
164.14439	2.3
166.08640	15.8
168.10291	2.1
168.63618	1.0
172.04019	2.9
172.07733	1.0
173.04326	1.0
176.14429	2.2
177.12918	1.1
179.07114	1.0
182.11824	1.9
190.05034	2.7
191.10689	1.4
203.06931	1.0
204.06557	5.7
204.13922	2.0
205.06979	1.7
205.08698	1.6
211.08673	1.2
217.08713	1.0
225.10388	2.6
227.11873	1.8
233.08179	1.0
233.11984	1.0
234.14873	1.4
235.08777	3.5
236.09354	1.3
237.10240	6.3
238.11150	3.1
239.11888	4.2
243.11438	3.4
244.11755	2.7
246.15019	1.5
247.09087	2.2
248.09570	2.6
249.10187	9.0
250.11021	10.6
251.11751	9.8
252.12633	1.1
253.09865	1.6
253.13254	1.1
255.11345	1.9
256.11932	1.8
261.10410	4.1
262.11130	3.5
262.17926	1.1
263.08960	2.0
263.11743	24.2
264.09189	2.2
264.12772	3.1
265.09924	3.3
265.13431	4.9
266.10516	1.2
267.11411	1.7
269.13031	3.2
271.10788	1.0
271.14627	1.0
273.11392	4.0
275.12793	5.8
276.13156	1.1
277.09732	4.8
278.10703	2.9
278.17844	1.5
279.11261	21.9
281.13071	4.1
282.10132	1.5
283.10944	2.8
285.12347	4.9
286.12762	2.0
287.05695	1.5
287.13925	2.3
289.09906	2.1
291.11292	14.5
292.12012	3.1
293.09839	1.3
293.13034	4.2
295.11035	2.8
296.11655	1.8
297.12494	4.4
298.12891	1.5
299.91394	0.9
305.09409	1.2
307.10727	8.2
309.12341	10.9
310.13028	1.6
311.14157	1.9
318.17035	1.3
319.10764	6.3
320.18796	4.1
323.10330	3.4
323.14044	2.9
324.10538	1.0
325.11798	6.5
326.12567	1.2
328.14539	1.2
335.10190	4.5
336.10956	4.6
337.11816	33.9
338.12302	2.0
339.13748	1.7
342.12738	1.9
342.16617	1.9
343.13470	1.2
344.18744	2.2
354.16150	1.2
355.12894	8.7
356.13870	3.1
357.14499	24.7
358.15451	1.9
367.12927	13.4
368.14081	2.8
369.14432	16.5
369.18549	1.3
370.15536	3.9
371.16116	1.1
384.13516	1.4
386.14978	1.9
386.19592	1.7
388.21182	96.0
389.21530	7.8
390.22220	2.5
398.15341	3.2
399.16083	2.7
400.16534	1.6
403.18915	4.4
404.20789	2.3
416.16315	3.4
416.20905	2.5
417.21320	2.2
418.22177	42.0
426.18542	1.2
427.32471	2.4
428.16327	1.9
429.16776	1.4
430.17438	2.0
446.17087	2.2
458.16815	4.3
460.18732	2.0
472.19141	1.2
476.22119	1.6
478.20068	2.4
487.17279	1.1
488.18570	3.2
490.19644	10.7
492.21606	2.1
502.19748	1.4
504.21469	2.0
520.20825	32.9
520.28290	1.7
521.21362	7.6
522.22382	100.0
523.22693	6.1
593.23944	2.1
611.24957	17.6
612.25586	1.6
625.26959	2.3
643.27667	13.1
650.23615	1.1
652.25159	2.0
682.26404	4.5
683.27216	4.7
684.27661	23.5
737.27435	1.4
755.28271	1.4
773.29901	6.5
804.41785	1.6
805.42712	37.7
806.42932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.1
69.03429	4.1
69.22763	4.4
69.23170	2.0
71.04998	1.1
73.02924	1.2
79.05529	2.5
80.05009	1.9
81.03421	1.3
81.07058	2.0
85.02916	2.5
87.04555	0.9
91.05468	2.4
93.05837	1.0
93.07047	2.1
94.06583	3.9
95.07357	1.1
95.08632	1.1
96.08121	4.8
105.07059	1.1
106.06551	2.2
107.08590	1.2
108.04510	1.9
108.08119	9.3
110.09679	7.0
111.08138	1.0
114.11324	1.0
116.05014	3.4
118.06583	1.0
119.08601	1.0
120.04463	3.0
120.08108	7.5
122.06017	5.4
122.09677	1.8
124.07610	2.8
127.03903	1.8
134.05998	1.7
136.07582	9.3
136.11234	1.6
138.09145	11.0
138.12828	4.1
144.04482	7.2
146.06036	5.0
148.07610	4.4
150.09171	2.2
152.07092	1.1
158.02444	1.1
160.03973	2.3
162.05501	4.8
164.07155	1.0
165.05431	1.4
166.08643	11.4
172.03951	48.0
173.04262	1.7
174.05530	2.7
174.85062	1.0
176.07045	2.5
182.11836	2.1
190.04996	13.1
197.10805	1.2
199.12245	1.1
204.06569	100.0
204.13873	2.3
205.06972	2.7
210.09233	1.8
211.08719	3.6
212.09387	2.3
225.10197	7.6
226.10910	1.5
227.11787	13.0
236.09526	1.5
237.10162	2.7
238.10895	1.8
239.11827	4.3
241.09889	1.2
241.13457	1.1
246.14915	1.1
249.10272	2.3
251.08182	1.3
251.11797	2.6
253.09723	4.6
254.10454	1.2
255.11227	1.8
264.08893	2.4
265.09708	1.4
266.10498	1.2
267.11322	3.3
269.12811	10.5
271.10800	8.8
273.12259	1.4
275.12778	1.9
277.09653	1.6
279.11411	2.8
281.09448	1.0
281.12729	1.3
283.10840	4.1
284.11578	4.1
285.12262	5.2
286.13123	1.9
287.13922	20.2
295.10806	2.1
297.12448	5.8
299.13867	2.0
302.13058	1.4
307.10974	1.9
314.17728	1.6
315.13754	1.2
316.14566	1.8
317.15085	2.4
320.18661	2.8
321.08618	1.3
323.10190	6.6
325.11835	10.2
327.13400	3.2
328.10880	1.7
328.14456	2.4
329.11462	1.4
329.15063	2.5
330.16055	2.4
339.13776	1.7
341.11563	1.3
342.12354	5.9
343.13113	3.8
344.13898	1.1
344.18375	1.5
356.13882	3.8
357.14456	46.5
358.15198	3.6
369.10870	1.1
370.15488	4.4
371.16159	1.9
374.23248	2.6
378.18292	1.2
382.11765	2.2
383.12665	2.3
384.13284	3.3
385.14417	2.5
386.14417	2.2
386.18796	2.6
388.16827	1.6
388.21194	32.1
389.21524	2.3
390.17984	3.1
398.15045	19.3
399.15778	24.9
400.16180	2.7
402.17838	1.6
404.16083	3.9
412.16492	1.9
414.18100	5.4
416.15988	17.6
418.17117	1.6
418.22266	16.9
422.16458	1.3
428.15826	3.3
430.17587	3.2
440.16071	7.6
446.17032	6.0
458.17120	26.6
478.19342	2.3
487.16757	1.3
490.19849	9.9
520.21014	1.2
569.24011	4.4
583.25195	1.7
593.23584	4.2
611.25024	83.2
612.25757	6.1
625.26190	2.1
643.27600	63.3
644.27423	3.2
773.29944	10.1
805.43109	23.1
806.42212	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03961	1.3
69.03421	2.6
70.94422	1.0
74.52320	0.7
74.80234	0.7
76.03433	0.7
79.05508	1.4
81.03431	1.3
81.04031	0.7
82.06583	0.8
85.02910	2.8
85.50649	0.8
91.05492	0.7
92.04996	1.7
93.05795	1.0
93.07055	2.1
94.06575	5.8
95.07360	1.6
96.08127	6.3
97.02898	2.2
106.06564	1.6
107.07357	0.7
108.04504	1.5
108.08113	8.8
110.09683	6.8
116.04993	1.7
116.80134	0.7
118.06562	1.3
120.04461	3.8
120.08119	7.3
122.06042	6.1
122.09690	1.4
124.07597	4.6
126.54416	0.6
134.06018	4.1
136.07576	8.8
138.09131	9.9
144.04465	4.8
146.06013	6.0
148.07587	4.4
150.09180	1.8
152.07092	2.2
156.08130	0.7
158.06076	1.0
160.03951	4.3
160.07533	0.9
162.05495	3.7
164.07095	1.8
166.08638	16.9
172.03932	32.9
172.07585	1.5
174.05510	1.9
176.07039	3.7
184.09962	1.0
190.04991	19.4
192.06570	0.8
195.09163	1.0
197.10715	1.8
199.12296	1.4
204.06563	46.1
205.06964	1.6
209.10732	1.0
210.09206	2.2
211.08627	3.7
211.12283	1.7
212.09396	1.7
213.10226	1.2
223.08791	1.4
223.12489	0.7
224.09523	2.2
225.10210	8.6
226.10976	1.6
227.11801	13.4
235.08701	1.0
236.09529	2.5
237.10298	3.7
238.07426	0.7
238.11127	2.5
239.11784	4.0
241.09738	1.4
241.13371	1.4
249.10278	1.4
251.08168	1.3
251.11884	3.1
253.09727	6.0
253.13391	1.0
254.10580	0.8
255.11278	1.7
257.12878	1.3
263.08084	1.2
264.09009	3.2
265.09879	2.0
266.10562	1.5
267.11429	2.2
269.12866	13.9
271.10791	10.3
273.12540	4.1
277.09808	2.4
279.11264	4.5
281.12671	1.4
283.10825	6.0
284.11444	3.6
285.12436	5.5
286.13135	1.6
287.13889	13.0
291.10846	0.7
295.10791	2.0
297.12311	9.8
299.13959	5.2
305.09186	0.8
307.10880	2.0
309.12473	1.8
313.13403	1.2
314.12894	2.1
315.13623	0.8
316.11026	1.0
316.14508	1.6
321.12268	1.1
323.10199	6.0
325.11807	20.4
326.16403	1.0
327.13553	3.1
327.17365	1.7
328.10828	2.1
328.14526	2.5
329.15189	2.2
330.12271	1.1
330.16049	2.2
331.16943	2.7
339.13638	2.2
341.11969	2.1
342.12320	6.9
343.13062	4.3
344.13916	1.8
344.17993	0.9
352.14740	0.9
353.12717	1.3
354.12601	0.9
354.16254	1.0
355.13257	1.6
355.17136	0.9
356.13873	5.6
357.14453	22.8
358.15494	5.2
369.15128	1.5
370.11761	0.8
370.15598	5.5
371.16354	0.9
372.13171	0.9
372.17264	2.0
378.18115	1.2
380.13962	1.5
382.11804	3.9
383.12573	3.7
384.13187	5.0
384.17538	0.7
385.14334	2.8
386.15054	3.0
386.18732	2.8
388.16599	1.0
388.21274	1.6
390.18347	5.0
397.14896	1.2
398.14981	20.4
399.15787	29.9
400.16357	2.2
401.13486	1.1
402.18237	1.2
404.16016	7.5
412.16623	2.0
414.18228	4.7
416.16046	17.3
416.21265	1.4
417.16095	1.2
422.16980	1.2
428.16003	4.5
430.17877	3.8
440.15958	7.9
446.17108	8.2
448.18973	0.9
458.17130	29.5
459.17728	1.5
469.15833	1.3
478.19833	2.8
487.17099	10.4
490.19653	10.3
519.19702	1.9
551.22717	1.2
565.24878	1.4
567.26080	1.6
569.23914	4.0
583.25354	2.1
593.23828	5.0
611.25012	100.0
612.25201	7.7
643.27673	23.7
644.27881	2.2
731.29614	1.0
745.30811	1.2
755.29108	1.7
773.30225	37.6
774.30566	2.0
805.32605	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	805.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	0.3
58.06575	0.1
61.02180	0.1
63.08350	0.1
66.77676	0.1
67.05501	0.5
68.05007	0.1
69.03426	0.8
69.07049	0.1
70.06238	0.1
70.06596	1.0
70.60403	0.1
71.04983	0.1
75.26203	0.1
79.05503	0.6
80.05018	0.6
80.18003	0.1
81.07043	0.6
82.06550	0.3
83.04970	0.1
83.07339	0.2
84.08136	0.7
91.05474	0.4
93.07029	0.7
94.06566	0.8
95.04955	0.2
95.07335	0.2
95.08612	0.7
96.08134	1.1
97.02891	0.1
97.08901	0.1
98.09711	0.1
99.04414	0.2
100.07602	0.2
105.07020	0.6
106.06554	0.2
107.07313	0.1
107.08588	0.5
108.08118	0.7
109.06503	0.3
109.08905	0.1
110.09681	1.2
112.07590	0.1
115.13042	0.1
117.06989	0.3
119.08578	0.6
120.08070	0.3
121.06476	0.2
121.10143	0.2
122.08821	0.1
122.09669	1.3
123.04409	0.3
123.08039	0.3
124.07561	0.1
124.11197	0.2
125.02339	0.2
125.05963	0.6
126.09126	0.1
128.07057	0.2
131.08568	0.3
132.08049	0.2
133.06432	0.2
133.10103	0.2
134.09627	0.8
135.08026	0.3
135.10481	0.1
136.07596	0.1
136.11218	1.0
137.05923	0.1
137.09584	0.1
138.12738	0.2
142.07759	0.2
143.08556	0.2
145.06471	0.1
145.10124	0.5
146.09639	0.2
147.08046	0.4
147.11693	0.3
148.11198	0.2
149.05978	0.3
149.09573	0.2
150.09120	1.2
151.07529	0.1
152.10735	0.4
153.05472	0.2
154.12210	0.1
155.08571	0.1
157.10094	0.2
159.08073	0.2
159.11691	0.1
160.08786	0.2
160.11227	0.2
161.06021	0.1
161.09586	0.2
161.11896	0.1
162.09151	0.1
162.12770	0.7
163.07520	0.2
163.11174	0.1
164.10689	0.2
164.14330	0.3
166.08595	0.1
168.10229	0.5
172.11176	0.1
173.09593	0.5
174.12852	0.1
175.07521	0.2
175.11169	0.6
176.14380	0.1
177.08992	0.1
177.12715	0.2
182.11768	2.6
184.08803	0.1
184.13322	1.2
185.09584	0.1
186.12645	0.1
187.07475	0.1
187.11179	0.1
188.10733	0.1
188.14441	0.1
189.09079	0.2
190.12314	0.1
190.15849	0.2
191.10677	0.3
192.13818	0.1
199.11201	0.1
201.09081	0.3
202.12207	0.2
203.10724	0.3
206.11771	0.2
208.13260	0.3
213.08997	0.1
216.13750	0.1
217.08597	1.9
218.11736	0.1
219.10173	0.5
220.13257	0.1
227.10657	0.1
230.12062	0.1
234.14867	0.2
236.16431	0.9
241.12120	0.1
242.15506	0.1
246.14859	0.2
248.12915	0.2
258.14899	0.1
260.16467	0.1
264.19583	0.1
270.18567	0.2
286.18008	0.8
288.15878	1.0
299.15121	0.1
314.17484	12.4
315.17899	0.3
318.16724	0.1
320.18729	0.3
330.16812	0.2
342.20526	0.4
344.18439	0.2
344.22238	0.4
352.19208	0.1
360.17789	0.2
360.21796	0.5
370.20123	0.3
371.28094	0.1
373.18716	0.3
374.23166	0.1
388.21149	100.0
389.21506	3.0
418.22223	7.0
419.22629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.3
67.05508	0.6
68.05006	0.1
69.03442	0.8
69.07060	0.1
69.11558	0.6
70.06590	1.2
71.05001	0.1
72.94077	0.1
75.47756	0.1
79.05480	0.4
80.05013	0.8
81.07065	0.8
82.06564	0.4
83.04969	0.2
83.07361	0.2
84.08131	0.8
86.09688	0.1
89.35465	0.1
91.05476	0.4
93.07037	0.9
94.06561	1.0
95.04951	0.2
95.07348	0.3
95.08615	0.7
96.08127	1.1
97.02888	0.2
98.06053	0.1
98.09705	0.1
105.07018	0.7
107.07346	0.1
107.08595	0.4
108.08121	0.6
109.06527	0.3
109.08914	0.3
109.10120	0.1
110.09673	1.5
112.07551	0.1
117.07004	0.4
119.08593	0.7
120.08096	0.4
121.06522	0.3
121.10166	0.3
122.09653	1.3
123.04443	0.4
123.08046	0.3
124.07594	0.2
124.11217	0.3
125.05979	0.6
129.07007	0.2
131.08585	0.4
132.08046	0.1
133.06496	0.2
133.10161	0.2
134.09605	0.7
135.08067	0.3
135.11700	0.1
136.11238	1.0
137.05954	0.3
142.07703	0.2
143.08568	0.2
145.06487	0.2
145.10129	0.4
146.09593	0.3
147.08054	0.5
147.11671	0.3
148.11200	0.3
149.05980	0.2
150.09128	1.4
151.07558	0.2
152.10724	0.6
153.05415	0.2
154.12289	0.1
156.24409	0.1
157.10159	0.4
159.07976	0.2
159.11731	0.2
160.11206	0.3
161.06024	0.1
161.09615	0.2
161.12103	0.2
161.13365	0.1
162.12796	0.8
163.07545	0.2
163.11205	0.3
164.10657	0.1
164.14374	0.3
166.08690	0.1
168.10278	0.5
173.09593	0.2
174.12817	0.1
175.07573	0.2
175.11188	0.8
176.14326	0.1
182.10208	0.2
182.11765	2.9
184.13318	1.2
185.09656	0.2
186.12714	0.1
188.10628	0.2
188.14383	0.1
189.09215	0.2
190.12267	0.2
190.15950	0.3
190.96693	0.1
191.10641	0.3
201.09114	0.2
202.12305	0.2
203.10626	0.5
206.11761	0.3
208.13359	0.3
217.08582	2.2
217.10493	0.2
219.10207	0.6
220.13246	0.2
234.14856	0.2
236.16400	1.1
240.17566	0.1
241.12234	0.1
247.09705	0.1
248.12891	0.1
258.14911	0.2
260.16510	0.2
262.18109	0.2
264.19617	0.2
270.18396	0.2
276.88702	0.1
286.18018	0.8
288.15894	1.1
296.16504	0.1
314.17487	12.5
315.17792	0.4
318.17038	0.3
320.18536	0.6
330.16937	0.3
342.20627	0.4
344.18469	0.4
344.22375	0.4
360.17838	0.2
360.21799	0.5
370.20178	0.3
373.18845	0.2
374.23749	0.1
388.21149	100.0
389.21521	3.0
418.22211	9.6
419.22534	0.3
506.76132	0.1
805.43500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.2
67.05501	0.6
69.03426	2.0
70.06592	1.7
70.69521	0.2
71.05005	0.4
79.05499	0.9
80.05013	1.3
81.07053	0.5
82.06558	0.4
83.01332	0.2
83.04974	0.2
83.07367	0.2
84.08146	0.8
87.81894	0.2
91.05480	1.0
93.07049	0.7
94.06571	1.2
95.04951	0.3
95.08614	0.5
96.08112	1.1
98.23377	0.2
99.04424	0.5
105.07031	0.6
107.08609	0.3
108.08120	0.7
109.06515	0.3
110.09673	1.2
111.08075	0.2
119.08587	0.6
120.08106	0.5
121.06497	0.3
121.10068	0.2
122.09662	2.8
123.08043	0.2
124.11194	0.2
125.06001	0.3
126.09136	0.2
127.03937	0.4
127.53236	0.2
128.07126	0.2
129.06920	0.2
131.08562	0.4
132.08084	0.2
133.06499	0.4
133.10088	0.2
134.09677	0.8
135.08150	0.3
136.11243	0.9
138.09175	0.3
138.12785	1.3
143.08575	0.3
145.06709	0.2
145.10167	0.4
147.08066	0.3
147.11783	0.2
148.11212	0.3
149.06047	0.4
150.09151	2.0
151.07567	0.4
151.09439	0.3
154.12248	0.4
155.03430	0.6
155.07066	0.4
155.56874	0.2
157.10153	0.3
159.08055	0.3
161.06035	0.2
161.09549	0.2
162.12822	0.9
164.10670	0.3
164.14313	0.8
165.05467	0.2
167.07062	0.3
168.10229	1.6
171.08054	0.2
173.09601	0.3
175.11203	0.4
176.14313	0.2
179.07039	0.2
180.10211	0.2
181.08598	0.4
182.11780	2.0
183.06519	0.5
184.13370	1.0
187.11145	0.2
188.14339	0.2
189.09087	0.4
190.15866	0.3
201.09122	0.2
204.13841	0.5
205.08638	0.2
206.11731	0.2
206.15263	0.2
207.06281	0.2
208.13289	0.3
218.15511	0.2
220.13315	0.4
222.14810	0.2
234.14842	0.4
236.16457	2.3
246.14883	2.5
247.09680	1.3
249.11241	1.4
249.13565	0.2
260.16495	0.2
262.18170	0.2
264.19754	0.6
274.18051	0.2
275.12817	0.9
276.15820	0.3
283.20477	0.2
292.19125	0.4
302.17529	0.2
305.02689	0.2
318.17099	0.6
320.18552	7.1
321.18942	0.2
329.16098	0.2
344.18600	5.0
345.19003	0.2
360.17853	0.6
360.21860	0.2
388.21182	18.9
389.21512	1.3
390.22391	0.8
391.35956	0.2
403.19611	0.3
416.20734	3.5
417.21030	6.3
418.22189	100.0
419.22580	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	805.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03387	0.8
65.03890	0.8
67.05456	1.8
68.05006	0.5
69.03370	6.9
69.07021	0.6
70.06536	1.7
71.04941	1.2
71.14159	0.4
71.46671	0.5
79.05429	2.8
80.04951	2.1
81.03342	1.7
81.06989	2.3
82.06549	1.0
83.01328	0.9
83.07302	1.7
83.49348	0.5
84.08108	0.9
85.02906	2.8
86.06060	0.6
86.09618	0.5
91.05495	3.9
93.05732	0.6
93.07053	2.9
93.74162	0.5
94.06562	3.1
95.04897	1.6
95.07310	0.9
95.08545	1.4
96.08131	6.9
97.02853	0.8
99.04387	1.7
103.05391	0.6
105.04469	0.8
105.07053	2.6
106.06496	1.0
107.04893	1.1
107.07321	0.6
107.08537	1.4
108.04443	0.6
108.08125	5.2
109.02831	0.6
109.06499	1.1
109.08797	0.7
110.09679	4.1
111.04398	0.7
111.07998	0.6
112.11275	0.4
117.06990	1.2
118.06467	0.8
119.04887	0.5
119.08511	2.0
120.04402	0.9
120.08105	6.0
121.06470	1.2
121.10085	0.6
122.05950	2.2
122.09680	4.3
123.04395	0.7
123.08057	0.8
124.07530	1.5
127.03824	2.2
128.06136	0.5
128.10614	0.8
129.06941	0.9
131.08542	1.1
134.09573	1.6
135.08043	1.1
136.07584	10.2
136.11203	4.7
137.05962	1.2
137.09560	1.1
138.09158	5.1
138.12791	14.3
141.06866	0.5
143.08539	0.8
144.04367	1.0
145.06464	0.7
145.10074	0.8
146.06009	3.4
146.09505	0.8
147.07996	0.9
148.07555	4.3
148.11116	0.9
149.05925	0.7
150.09157	6.0
151.03883	0.9
151.07529	2.4
152.07065	0.8
152.10648	0.8
153.05423	0.9
154.12376	0.6
155.03426	2.7
155.06981	1.0
157.10092	1.0
159.08003	1.5
159.11446	0.5
160.03902	0.8
162.05440	1.4
162.09131	0.8
162.12756	1.7
163.07487	0.6
164.07077	4.1
164.10619	1.2
164.14297	1.5
165.05426	1.5
165.09026	1.0
166.07315	0.6
166.08652	9.0
167.07072	3.2
168.10141	0.9
172.02623	0.7
172.03938	8.6
173.05952	0.9
173.09589	1.3
174.05434	1.1
174.09026	0.5
175.07498	0.8
175.11110	1.0
176.14284	3.1
178.08542	0.6
179.07037	0.6
179.10597	0.7
181.04857	0.6
181.08627	0.9
182.11769	3.3
183.06578	1.3
184.07399	0.6
184.13321	1.1
187.07529	0.6
187.11189	0.7
189.09021	1.8
190.05013	4.8
190.12242	0.8
191.10609	1.3
195.06561	1.1
204.06546	9.6
204.13821	3.1
205.08498	0.8
205.12144	0.9
205.14529	1.4
206.15323	1.6
207.06474	0.7
207.13892	0.6
208.13246	0.7
210.09146	0.5
215.10635	1.0
217.08549	0.7
218.15492	0.7
221.07968	0.6
224.09541	0.6
225.10114	1.8
227.11655	2.3
233.08049	0.7
234.18512	1.4
236.09291	0.9
236.16499	2.4
237.10233	3.6
238.10939	0.6
239.11801	1.2
246.14856	3.5
247.09702	3.6
247.13191	0.8
249.10669	1.1
251.11890	2.8
253.09625	1.2
253.13356	0.8
255.11290	1.7
260.16507	1.1
263.09064	0.8
264.09219	0.6
265.09808	4.9
269.12744	1.8
271.10800	0.8
273.11206	3.3
275.10086	0.8
275.12784	9.8
276.15973	0.5
279.11264	4.3
281.09567	0.6
281.12860	1.8
283.10641	1.1
285.12158	1.1
287.13913	1.2
291.10995	0.6
292.18890	0.8
293.09195	2.9
294.09836	0.6
297.12274	2.3
307.10684	1.5
311.10342	0.7
318.16888	0.9
320.18533	8.9
323.10104	0.6
325.11835	6.8
327.13458	1.0
335.10251	2.5
341.11359	2.3
341.17563	1.1
342.12485	0.6
342.20364	0.6
343.12903	0.6
344.18546	6.6
345.19455	0.8
346.20062	0.7
353.11359	2.9
355.13550	0.7
356.14056	0.8
357.14532	3.1
358.15533	0.8
360.17627	0.7
360.21686	1.1
367.12820	0.7
374.23511	0.6
385.14053	3.4
386.18716	0.6
388.21191	100.0
389.21555	4.7
398.14987	1.2
399.15463	2.7
400.16605	1.0
416.16058	1.5
416.20944	1.1
417.21075	1.7
418.22250	56.4
419.22720	1.7
427.32108	0.7
430.17627	0.7
442.17868	0.6
446.17065	0.8
458.17157	1.5
460.18680	1.3
488.18277	2.0
490.19962	0.7
506.19199	4.4
611.25104	6.3
643.27301	1.4
650.23456	19.8
651.23474	2.4
668.24475	1.3
682.26038	4.9
683.26398	0.8
755.29321	1.7
773.30853	1.8
779.48981	0.6
805.42682	87.5
806.43030	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	806.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03205	2.5
57.03441	22.1
59.04994	5.8
61.02920	3.2
65.03947	4.1
67.05508	69.4
69.03426	17.1
69.07069	22.5
71.01353	5.1
71.05000	13.7
77.03950	2.4
79.05495	71.6
81.03418	100.0
81.03902	4.9
81.07059	62.1
82.07393	2.5
83.01384	4.2
83.04985	35.8
83.08621	34.2
85.02914	26.5
85.06526	6.1
91.03965	2.9
91.05480	62.9
93.07049	59.9
95.04974	44.1
95.08612	32.3
96.08167	3.2
97.02895	16.1
97.06532	17.5
97.10165	23.0
99.04475	3.7
99.08107	3.4
103.88955	2.0
105.04504	4.2
105.07034	47.8
107.04972	28.5
107.07920	4.0
107.08599	48.2
109.02905	2.7
109.06506	14.3
109.10156	20.9
111.04434	8.1
111.08078	15.8
113.05977	5.1
115.05453	5.5
117.07014	18.4
119.04961	2.8
119.08588	43.1
119.56065	2.1
121.06527	9.1
121.10142	26.6
123.08063	10.4
123.11702	4.3
125.06018	3.5
125.09644	19.3
127.03883	4.0
129.05493	3.4
129.07007	21.7
130.07780	2.5
131.08562	30.5
133.06506	4.9
133.10150	21.2
135.08060	7.9
135.11707	21.0
136.11229	5.0
137.09636	4.9
138.12767	4.5
141.06979	4.6
142.07751	4.1
143.08566	6.2
145.04984	2.1
145.06503	5.2
145.10124	26.3
147.08043	10.3
147.11684	26.3
149.09633	14.9
151.11171	2.7
153.09044	3.4
153.12729	12.4
155.08554	4.5
157.10130	20.5
159.08095	4.2
159.11691	6.8
161.09610	5.5
162.12772	3.0
163.11180	28.9
165.05389	2.3
165.09096	2.5
165.12758	3.8
169.10156	4.8
171.11639	4.7
173.09648	11.9
173.11823	4.0
173.13205	2.7
175.11189	16.8
181.12259	6.5
182.11743	4.0
183.11732	3.2
185.13361	4.5
187.11177	3.0
189.11250	10.9
189.12671	2.8
191.10715	9.8
193.12236	40.3
197.13312	2.6
204.13832	17.3
209.11716	20.2
211.13280	42.8
211.15135	3.9
227.12744	24.0
229.14310	6.4
246.14978	3.3
247.09425	2.5
249.14897	2.8
257.19104	3.6
260.16397	5.0
265.14307	10.4
267.15897	53.5
275.20120	10.0
283.15414	18.7
285.16986	31.3
291.19482	10.4
299.19855	2.5
301.16461	26.0
319.15115	2.6
320.18488	4.9
346.20200	2.5
349.23621	8.7
365.21722	2.2
383.21933	4.0
388.21216	35.1
389.21475	20.1
405.10321	2.3
407.24042	3.4
418.22107	17.0
419.22513	15.3
437.25323	2.8
438.24545	3.3
439.27237	3.0
447.27087	3.1
457.25806	18.6
459.27164	5.8
467.31702	5.0
475.20331	3.8
475.26865	54.4
476.27106	2.9
477.28458	4.9
487.30484	8.3
493.27991	61.6
511.29031	77.8
512.29065	4.9
519.33496	3.7
541.27368	3.9
541.35248	58.8
542.35236	3.3
559.36340	34.5
573.34760	6.5
591.34741	11.9
619.30695	3.8
637.31946	5.4
655.33362	6.6
775.41205	5.4
806.29059	3.2
806.42975	52.4
807.42322	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	25.2
57.07084	2.6
59.04997	5.0
61.02914	4.9
65.03938	3.9
66.61883	1.1
67.05504	100.0
69.03435	8.5
69.07069	15.3
71.01366	2.3
71.04985	10.4
73.02918	3.7
77.03948	2.0
78.52827	1.1
79.05493	46.5
81.03415	88.7
81.07053	55.8
83.04975	24.7
83.05427	1.6
83.08618	38.0
85.02903	39.8
85.06546	4.6
87.04457	6.1
91.03966	2.1
91.05480	49.3
93.07045	28.9
95.04970	33.3
95.08603	22.1
97.02889	8.5
97.06528	6.9
97.10172	16.7
99.04478	1.6
99.08082	2.0
103.03937	1.5
105.04524	1.4
105.07021	34.0
107.04939	13.7
107.08578	20.2
109.06511	8.8
109.10152	63.8
111.04444	6.2
111.08080	17.0
113.06010	2.6
116.04708	1.3
117.07028	3.9
119.04982	1.3
119.08579	26.1
121.06512	4.2
121.10117	12.1
123.08063	6.3
123.11736	2.9
125.09618	15.1
126.95109	1.2
129.05467	3.6
129.07007	14.1
131.08565	16.1
133.06480	5.1
133.10124	18.5
135.11693	4.4
137.09607	5.9
142.07790	3.2
143.10680	3.5
145.03844	1.2
145.10139	5.4
147.08049	5.3
147.11697	21.6
149.09607	10.0
151.11131	1.3
153.12794	3.4
155.10635	7.1
157.10121	16.3
161.09674	1.5
163.11176	10.1
165.12784	2.7
173.09619	3.0
173.11732	14.3
175.11179	20.5
178.41463	1.4
181.12234	2.1
189.11293	1.8
191.10617	2.4
193.12233	65.6
194.12540	1.6
199.13272	8.7
204.13837	1.7
209.11726	7.5
211.13280	93.9
212.13622	2.1
227.12752	8.4
229.14334	59.2
249.14877	2.1
253.14301	1.6
257.14038	1.3
267.15903	37.6
283.15402	8.1
285.16946	78.2
301.16476	17.5
383.21921	1.7
388.21091	5.5
389.21530	4.1
399.23712	26.3
409.25803	4.0
418.22244	3.5
419.22455	2.7
421.25873	14.9
427.26968	4.9
439.26889	51.3
440.27426	2.9
475.27032	2.0
493.27924	8.1
511.28922	12.1
529.30444	2.0
591.35291	1.6
609.36365	47.2
610.35986	2.3
763.79614	1.4
806.42944	8.7
807.43329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	25.6
57.07090	1.8
59.05006	7.2
61.02923	3.1
65.03938	4.7
67.05503	100.0
68.05849	1.8
69.03426	12.5
69.07066	15.0
69.62704	6.9
70.07437	1.7
71.01369	2.1
71.04992	10.9
73.02924	3.7
73.06580	2.0
77.03925	1.6
79.05491	57.5
80.05000	2.4
81.03417	86.8
81.07056	54.4
82.03759	1.7
83.01331	2.3
83.04982	29.5
83.08620	36.0
85.02901	38.3
85.06550	4.6
86.03251	1.8
87.04484	3.9
91.03955	3.5
91.05477	57.8
93.07046	38.4
95.04967	37.1
95.05591	1.9
95.08604	24.5
96.08134	2.3
97.02897	10.5
97.06541	10.1
97.10168	18.8
97.35853	1.5
99.04443	2.3
99.08092	2.4
105.04533	3.4
105.07035	36.2
107.04949	12.4
107.08587	20.8
109.06519	10.3
109.10154	64.8
109.10890	3.3
111.04453	4.4
111.08089	15.6
113.06001	4.2
115.05481	2.4
117.07024	6.6
119.08576	30.9
120.08141	2.2
120.08916	1.9
121.06501	3.9
121.10136	17.3
122.08729	1.9
122.09654	1.8
123.08069	4.5
123.11719	2.0
125.06065	1.8
125.09625	16.4
127.03879	2.3
129.05464	4.0
129.06998	15.8
131.08569	16.3
133.06493	4.0
133.10124	17.3
135.08011	2.2
135.11728	5.8
136.11250	3.0
137.09622	6.4
138.12798	3.9
139.13072	1.7
142.07806	2.5
143.10751	1.9
145.06435	3.0
145.10149	8.0
147.08075	5.5
147.11702	17.5
149.09636	9.1
151.11217	2.7
153.12711	3.0
155.08522	1.7
155.10637	3.4
157.10130	18.0
159.11771	2.0
161.11836	1.6
162.12772	3.7
163.11218	12.1
171.11746	1.9
173.09599	2.9
173.11749	18.3
175.11189	14.7
181.12265	1.9
182.11876	2.6
189.11232	2.7
191.10657	3.8
193.12241	59.1
193.13968	3.3
194.12614	1.9
199.13319	4.5
204.13788	10.9
209.11763	6.2
211.13286	79.2
224.13576	2.1
227.12756	12.2
229.14339	51.5
249.14796	2.3
253.14380	3.0
260.16458	2.3
265.14453	1.9
267.15939	35.0
268.16321	5.5
269.16696	2.3
275.12619	2.2
283.15491	7.8
285.16971	55.8
291.19534	6.5
292.19873	6.3
293.20151	3.1
297.67065	1.8
301.16531	13.1
320.18564	2.5
339.06750	1.7
344.18332	2.2
365.23245	4.6
366.23779	2.9
388.21274	25.7
389.21509	16.5
399.23767	13.3
409.25833	4.0
418.22272	12.8
419.22534	15.0
421.25897	14.9
427.27069	3.0
439.26907	43.5
447.27179	2.0
475.27020	1.8
493.27808	4.2
511.28976	9.3
529.30353	3.9
541.35260	3.3
557.34509	3.8
558.35211	4.2
559.35309	12.6
609.36292	31.9
610.36725	3.8
640.41138	1.8
806.42871	39.4
807.42188	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	806.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	18.1
57.07078	2.5
58.25256	1.3
59.05001	5.5
61.02924	5.3
63.28063	1.3
67.05507	66.3
69.03429	6.3
69.06648	8.5
69.07073	10.5
70.06590	3.5
71.01350	2.5
71.05000	5.4
71.08638	1.5
73.02939	3.3
73.74661	1.2
74.47075	1.2
79.05495	28.0
80.05807	1.4
81.03417	20.9
81.07063	29.0
83.01353	7.1
83.04988	15.0
83.08624	16.7
85.02901	16.8
85.06564	3.3
87.04477	5.4
90.10938	1.4
91.03960	2.1
91.05482	22.3
93.07052	30.0
93.07607	2.4
95.04984	13.3
95.08607	17.1
96.08152	2.6
97.02907	4.8
97.06516	6.9
97.10171	11.6
98.23418	3.8
99.04481	3.2
99.08122	2.6
101.23274	1.5
102.09219	1.9
105.04458	1.3
105.07024	13.3
107.04959	9.6
107.08593	18.4
109.06529	8.1
109.10159	49.5
109.10894	2.9
111.04454	4.6
111.08098	4.3
112.35401	1.4
113.05924	1.5
117.07038	8.7
119.08578	15.6
120.08050	1.6
121.06487	3.8
121.10150	10.0
123.04499	1.6
123.08054	7.2
125.05957	2.2
125.09651	11.7
127.03947	1.4
129.05482	1.4
129.07007	3.3
131.08582	6.0
133.10124	3.2
133.23741	1.3
135.08066	1.5
135.11700	13.2
137.09637	5.1
138.12779	3.2
143.08577	2.0
143.10654	2.9
145.06479	1.7
145.10138	19.0
147.08034	2.1
147.11699	3.0
149.02344	6.8
149.09612	1.4
153.12776	5.0
155.08601	1.6
155.10661	3.6
162.12831	2.0
163.11185	28.4
173.09669	5.1
173.11760	16.6
175.11295	2.5
181.12190	7.1
182.11752	2.1
191.10722	6.2
193.04985	1.7
193.12279	4.4
199.13271	6.5
204.13849	5.5
206.22414	1.5
209.11714	20.0
209.13499	1.9
227.12761	14.5
229.14346	55.2
251.11827	1.6
256.26416	3.3
257.13943	3.1
265.14456	1.5
267.16022	8.9
275.12750	1.6
283.15408	100.0
284.15869	2.4
289.64172	1.5
301.16467	16.5
343.99887	1.6
388.21191	19.6
389.21487	13.7
401.25317	7.5
407.24228	3.1
418.22321	10.4
419.22650	12.3
421.25876	3.0
425.25491	7.3
437.19598	2.5
437.25351	37.7
491.26529	3.6
509.27573	9.3
527.28284	4.1
609.36334	21.4
610.36060	2.6
775.41632	3.0
806.42822	30.6
807.41919	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	19.4
57.07089	1.8
59.04995	3.3
65.03933	3.3
67.05507	67.5
69.03439	8.6
69.07066	27.6
69.07358	3.0
69.07771	3.8
71.04993	8.4
73.02930	1.8
77.03943	1.8
79.05496	63.9
81.03420	100.0
81.07056	68.7
83.04963	11.5
83.08624	33.5
85.02916	5.1
85.06561	5.8
91.05482	60.3
91.06060	3.1
93.07048	55.8
94.47543	1.3
95.01342	1.3
95.04966	44.0
95.08611	28.4
97.02900	5.3
97.06535	13.8
97.10174	20.4
99.08076	1.6
103.05505	1.6
105.04523	2.7
105.07034	49.4
107.04964	17.7
107.08594	43.1
109.06525	8.4
109.10153	19.0
111.04449	3.6
111.08101	11.5
115.05463	2.7
117.07030	17.0
118.49445	1.3
119.08588	35.7
121.06523	9.8
121.10141	20.6
123.04490	1.6
123.08082	4.0
123.11695	5.7
125.09638	20.8
127.03913	2.3
127.07533	2.1
128.06216	3.0
129.07004	19.9
130.07874	1.4
131.08568	27.9
133.06505	6.3
133.10130	24.2
135.08035	6.7
135.11681	12.3
136.55034	1.4
137.09642	5.3
139.11140	1.8
141.06987	2.0
142.07805	2.1
143.08577	10.2
145.06506	5.6
145.10132	18.4
147.08076	8.2
147.11691	17.7
149.09622	15.7
149.13251	5.4
151.11197	2.3
153.09140	3.0
155.08607	4.6
157.06422	1.7
157.10101	15.4
159.08083	3.3
159.11723	10.5
161.09645	2.9
161.13271	4.9
163.11206	10.3
165.09000	1.4
165.12750	2.0
167.08580	1.6
169.10178	4.8
171.08044	2.0
171.10280	2.7
171.11719	5.6
173.09561	2.8
173.13249	4.1
175.11197	13.4
177.12709	3.8
179.08727	1.5
179.10690	2.4
179.14424	1.5
181.10085	1.5
183.11711	4.1
185.13263	5.2
187.11200	2.5
189.11220	8.1
191.10719	1.3
193.12239	28.3
197.13321	2.7
199.11153	1.6
199.14856	3.2
201.12886	2.2
204.13892	2.5
205.12192	2.5
211.13365	4.3
217.15987	2.6
219.13895	1.7
227.12772	21.5
229.14371	6.1
229.19646	1.8
245.13773	2.8
245.43135	1.5
247.20468	2.1
249.14931	2.3
255.15906	8.9
257.19009	5.1
260.04108	1.5
260.25751	1.6
267.15903	75.2
269.17462	13.1
273.14865	1.6
273.18604	2.3
275.20129	22.9
291.19568	2.3
297.22113	2.1
299.20062	5.0
315.23212	2.0
319.15469	1.9
331.22903	1.9
349.23788	25.8
350.24097	2.1
355.22586	2.0
363.21854	2.4
367.24738	3.2
369.24255	3.1
385.23438	2.0
387.25125	1.7
388.21231	4.1
389.21637	3.2
419.23834	4.2
421.25827	5.1
429.26440	2.6
435.27267	1.8
437.25113	4.7
443.27963	5.9
447.27405	25.8
449.30347	4.0
459.27429	5.2
461.28998	64.8
462.29529	1.6
467.31522	5.8
477.28357	3.6
493.31674	8.1
523.34210	4.7
541.35242	79.3
542.35468	3.8
559.36346	28.6
573.37732	2.4
580.35468	1.9
591.38824	3.9
806.42133	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	807.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90123	0.9
57.03434	1.7
61.02913	1.2
66.28897	1.0
66.92551	1.1
67.05492	3.2
69.03428	7.1
69.07045	1.4
70.06613	2.0
71.04996	4.8
79.05494	4.6
80.05009	1.1
81.03424	4.2
81.07060	4.2
82.06605	1.4
84.08143	1.5
85.02902	4.5
86.06083	1.2
91.05499	2.7
93.07039	4.3
94.06566	5.8
95.04969	2.1
95.07355	1.4
95.08649	1.2
96.08134	8.1
97.02883	4.3
98.09664	1.0
105.07025	3.0
106.06567	3.5
107.04923	1.4
107.07348	2.1
107.08608	1.7
108.08112	12.5
109.06539	1.4
109.10139	1.3
110.06062	2.0
110.09682	8.5
115.03911	1.2
120.04483	1.4
120.08112	7.2
121.06503	1.1
122.06039	10.0
122.09694	3.8
124.07594	6.4
125.09564	1.1
127.03924	2.5
133.10184	1.1
134.05995	2.1
136.07574	19.8
138.09135	14.1
138.12788	1.9
144.04442	2.8
145.05084	1.2
145.10115	1.4
146.05988	6.1
146.09657	1.3
148.07559	13.7
150.09129	10.5
151.03929	1.2
152.07074	17.5
160.07619	1.1
162.05521	2.0
162.09250	1.1
162.12735	1.6
164.07086	5.7
165.09171	1.3
166.08629	35.3
167.07005	1.2
172.03935	20.3
172.05334	2.2
173.09596	1.1
174.09114	1.3
176.07072	2.9
178.08537	1.6
180.10086	1.2
181.04913	2.0
182.08243	1.6
190.04959	13.9
194.08189	1.3
197.10817	1.2
198.11461	1.3
199.12357	2.0
201.05341	1.1
204.06561	24.5
204.13838	1.6
205.07199	1.1
209.10753	1.8
210.11516	2.8
211.12274	6.1
212.09361	1.3
212.13025	2.6
213.10127	1.7
217.08565	1.6
218.08127	1.3
219.09967	1.1
223.12364	3.6
224.09448	1.2
225.10139	5.5
226.10974	3.6
227.11833	3.4
229.09636	1.7
235.08748	1.8
235.12354	2.1
236.09659	1.2
237.10306	8.2
237.13867	1.2
238.11035	6.9
239.11826	9.0
240.12529	1.1
241.09833	1.1
241.13422	2.1
243.11263	1.4
246.07671	1.5
249.10268	5.8
250.11038	4.2
250.17981	1.1
251.11790	12.6
252.08862	2.7
252.12616	3.0
253.09694	1.9
253.13391	3.8
255.11311	4.7
256.12061	1.8
257.12912	1.3
262.11139	1.3
263.11819	11.2
264.08826	2.4
264.12589	3.3
265.09848	6.6
265.13177	8.7
265.15311	0.9
266.10577	3.6
267.11261	15.9
269.12833	4.7
271.10855	1.4
271.14484	4.1
273.12250	3.0
274.48932	1.2
275.12460	1.7
277.09619	2.5
277.12805	1.0
278.10492	3.2
279.11288	21.4
280.11963	4.3
281.12881	9.9
282.10144	1.4
283.10742	4.3
284.11517	9.8
285.12317	30.2
287.13785	1.4
291.11258	11.7
292.12012	2.8
293.09482	2.3
293.12848	11.0
295.10712	4.5
296.11514	4.1
297.12320	35.2
298.13040	1.6
299.14032	4.2
307.10776	2.9
309.12302	13.4
310.12912	2.8
311.10220	5.2
311.13898	4.7
313.11743	1.7
314.17477	3.2
319.10754	6.2
321.12357	10.3
322.12714	1.4
323.10294	10.9
323.13800	2.1
325.11862	18.7
327.13400	9.6
328.14597	1.4
337.11832	41.2
338.12198	2.6
339.13361	7.8
341.15298	1.1
343.12769	1.4
344.17712	1.8
355.12906	2.3
357.14417	9.1
359.16000	2.3
369.14581	4.3
370.15274	1.2
372.17307	1.7
373.13934	1.9
374.23175	2.9
384.17029	1.6
385.13852	2.5
386.18893	1.6
388.16656	1.9
388.21158	14.9
389.21469	9.9
390.22083	3.0
392.19540	1.7
400.16422	2.1
402.18005	2.3
402.22708	2.9
404.20285	5.7
414.18149	2.1
418.17276	1.8
418.22034	2.9
419.22308	3.5
420.19086	2.1
420.23495	4.0
422.20694	2.7
430.17596	6.7
431.18335	1.6
432.18976	6.0
442.17145	1.5
444.19244	2.2
446.20880	2.0
448.18546	18.1
449.19427	11.4
450.20245	10.0
460.18707	12.6
461.19022	1.4
462.20209	4.4
472.18652	3.0
474.20010	3.8
476.18265	4.2
477.19073	5.9
478.19666	3.6
480.21228	2.3
487.17096	4.3
490.19690	24.1
491.20480	2.6
492.21262	7.5
522.22296	11.8
523.22913	2.8
594.24640	1.5
595.25641	9.7
608.26160	1.8
611.24634	2.4
612.25262	4.1
613.26556	100.0
614.26666	5.3
645.29211	15.2
652.25061	20.3
653.25800	8.0
654.25922	3.6
684.27533	9.5
685.28094	3.7
757.30164	2.3
775.31787	38.3
776.31940	2.4
806.42261	2.0
807.42847	12.6
808.43030	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	807.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.3
60.04530	0.2
65.03944	0.2
65.96505	0.1
67.05509	1.1
68.05030	0.3
69.03422	0.5
69.07068	0.3
69.77329	0.2
69.77659	0.1
70.02965	0.1
71.04987	0.4
79.05499	1.0
80.04998	0.4
81.03412	0.1
81.07047	0.5
82.06597	0.1
83.01337	0.5
83.04993	0.2
84.04501	0.1
85.06537	0.2
86.09712	0.1
91.05502	0.8
93.07051	0.9
94.06555	0.3
95.04971	0.6
95.08625	0.2
96.08134	0.3
98.09704	0.1
99.04457	0.6
99.06858	0.2
100.11258	0.2
103.05466	0.1
105.04485	0.1
105.07031	0.9
106.06556	0.8
107.04950	1.0
107.07336	0.2
107.08597	0.3
108.08123	0.3
109.06535	0.3
110.09675	0.3
111.08105	0.2
112.07622	0.3
115.05465	0.2
117.07010	0.5
118.06562	0.9
119.04956	0.2
119.08564	0.2
120.08094	0.3
121.06510	0.5
121.10169	0.2
122.09653	0.2
123.10454	0.1
124.11235	0.5
127.03911	0.7
128.06236	0.2
128.10722	0.5
129.07001	0.5
131.08580	0.5
132.08086	0.2
133.06503	0.3
133.10193	0.2
134.06013	0.1
134.09673	0.2
135.08073	0.3
136.07582	0.2
136.11227	1.0
137.05984	0.3
137.09631	0.1
138.12788	0.5
139.07492	0.2
140.10721	0.3
141.05493	0.3
141.06947	0.1
142.04944	0.1
142.07777	0.2
142.12306	0.1
143.08597	0.2
144.08113	0.2
145.06465	0.6
145.10109	0.4
146.09657	0.3
147.08070	0.2
150.09155	0.2
151.03882	0.3
151.07545	0.2
152.10728	0.3
153.05481	0.4
154.07761	0.1
154.12288	1.2
155.03423	0.6
155.07040	0.5
155.08534	0.4
157.10201	0.3
159.08089	0.3
159.11632	0.1
160.07570	0.1
160.11235	0.1
161.06018	0.1
161.09669	0.4
162.12828	0.2
163.07654	0.2
163.11214	0.3
164.07156	0.1
165.05519	1.3
165.06874	0.2
167.07077	0.7
167.08604	0.3
169.06468	0.2
171.08057	0.2
172.08870	0.2
173.06001	0.3
173.09659	0.4
174.12769	0.9
175.07561	0.3
176.14349	0.5
177.09172	0.2
178.12355	0.2
178.15892	0.1
179.07040	0.3
179.10765	0.2
180.13895	0.2
183.06526	0.8
183.08078	0.4
185.09644	0.3
187.07523	0.3
187.11198	0.2
188.14319	0.2
189.09091	0.1
189.12740	0.2
191.07108	0.2
191.10622	0.2
192.13815	0.3
195.06529	0.3
195.08138	0.1
197.09665	0.3
199.07578	0.4
201.09146	0.3
202.09853	0.2
202.12242	0.4
203.06996	0.2
204.13826	0.6
205.08621	0.4
206.15382	0.3
207.06569	0.3
207.10133	0.3
209.06149	0.1
211.07553	0.1
213.09097	0.5
213.12613	0.1
215.10637	0.2
217.08600	0.2
217.12286	0.3
219.06554	0.2
219.10297	0.1
220.07202	0.2
220.13332	0.9
220.17079	0.1
221.08156	0.1
223.07692	0.1
225.09163	0.2
227.06857	0.2
227.10648	0.2
228.07860	0.2
229.08644	0.2
230.15474	0.2
232.16969	0.4
233.08093	0.3
233.11772	0.2
241.08591	0.2
243.10091	0.2
245.08090	0.2
247.09653	0.3
248.16576	0.2
249.11189	0.2
255.13829	0.3
259.09650	0.4
261.11258	1.4
263.09149	1.1
271.09677	0.2
273.11246	2.3
275.12817	0.2
283.13190	0.2
285.11148	0.2
287.11591	0.2
290.13791	0.4
291.12430	0.1
299.12723	0.3
300.12527	0.3
315.16013	0.3
345.16782	0.2
358.20096	0.3
361.18237	0.1
368.18457	0.2
386.19659	0.7
390.22604	1.0
391.22922	0.5
392.23538	0.3
404.20670	100.0
405.21033	3.1
418.21704	0.2
728.88257	0.1
768.80554	0.1
807.43182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.2
67.05497	0.5
69.03430	1.5
69.07047	0.2
71.04987	0.3
72.86237	0.2
79.05485	0.6
80.02357	0.1
80.05025	0.3
81.07044	0.7
83.01332	0.3
83.07367	0.4
83.09982	0.1
85.06534	0.2
86.06079	0.1
90.83658	0.1
91.05487	0.9
93.07038	0.6
94.06586	0.2
95.04967	0.5
95.08597	0.2
96.08141	1.7
97.06540	0.1
99.04468	0.3
105.07023	0.6
106.06563	1.3
107.08607	0.4
108.08102	0.7
109.06489	0.3
110.09692	0.4
115.05455	0.2
117.07011	0.2
119.08587	0.4
120.08088	0.5
121.06506	0.4
121.10086	0.2
122.09657	0.2
123.08089	0.2
124.07584	0.3
125.09571	0.2
126.09158	0.6
127.03919	0.6
129.07008	0.2
131.08539	0.2
134.09631	0.8
135.10443	0.1
135.55656	0.1
136.07568	0.2
136.11227	1.4
137.05956	0.2
138.09155	0.3
141.05472	0.3
145.06490	0.3
145.10153	0.2
146.09610	0.2
147.08031	0.2
148.11198	0.2
150.09183	0.4
151.03918	0.2
151.07561	0.2
152.10722	0.5
153.05400	0.3
154.12254	1.9
155.03404	0.6
155.07005	0.3
159.08066	0.2
159.11751	0.2
160.11258	0.2
161.09673	0.2
162.09200	0.2
162.12819	0.2
164.10716	0.8
165.05486	0.5
165.09109	0.2
167.07111	0.3
168.10208	0.3
169.10030	0.2
173.06004	0.2
173.09602	0.2
174.12769	0.3
175.07607	0.2
176.10709	0.2
183.06517	0.5
186.10472	0.2
187.11150	0.3
192.13820	0.4
195.06624	0.1
197.09717	0.2
202.12218	0.2
204.13742	0.2
205.08649	0.2
207.06477	0.3
207.10191	0.2
215.10770	0.2
219.06604	0.1
221.08104	0.4
233.08032	0.4
243.10104	0.2
247.09769	0.3
249.11206	0.3
250.17879	0.3
261.11182	0.2
263.09143	0.5
273.11172	0.5
275.12772	2.6
276.12573	0.2
276.15927	0.1
278.17523	0.2
292.15445	0.4
318.17035	0.3
328.15417	0.2
343.17749	0.1
357.16864	0.3
358.20160	0.4
361.18637	0.2
364.35681	0.1
386.19638	4.0
388.21204	0.6
390.22363	0.2
398.07654	0.1
404.20667	100.0
405.21014	3.4
406.22134	0.2
420.20248	0.4
832.38202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
57.97873	0.8
61.02928	4.4
67.05509	6.9
69.03441	2.2
69.07063	1.9
70.12298	0.9
70.12630	1.9
71.05012	3.0
73.02919	3.1
79.05488	4.4
81.03413	3.0
81.07059	3.6
83.04990	0.9
85.02900	5.6
86.09753	0.9
88.95809	0.9
91.03957	5.3
91.05485	3.6
93.07053	3.3
95.04996	1.3
95.08607	1.8
97.02892	3.1
101.02353	1.4
104.10719	2.2
104.47057	0.9
105.07051	2.0
107.08601	2.0
109.10146	9.0
111.08070	0.9
117.07075	1.0
119.08593	2.9
121.10156	1.0
127.03926	2.2
133.10176	2.2
138.12817	0.9
139.03606	1.0
147.11700	1.4
171.11653	1.2
173.11758	3.0
182.11775	1.1
184.07346	1.7
185.04166	2.0
195.09865	1.2
204.13927	1.9
229.14362	2.2
243.08487	2.5
247.13101	3.9
301.08984	1.9
314.17545	1.4
385.18158	1.3
388.21152	4.2
389.21518	2.8
390.22116	1.6
413.17810	14.3
418.22162	1.8
419.22653	2.3
420.23544	1.7
429.17392	1.4
465.20987	11.6
475.25815	1.3
483.22241	1.0
495.21985	2.5
495.71390	0.9
524.22156	1.1
537.23444	2.1
565.29193	1.5
637.31934	100.0
638.32117	4.0
663.33710	1.5
665.34589	4.0
693.34473	4.1
776.41547	1.1
807.41516	23.3
808.41760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24924	0.6
57.88447	0.6
60.11778	0.6
66.50967	0.6
67.05511	1.0
69.03435	3.4
69.23228	1.4
69.23637	1.8
70.06600	4.4
71.04987	1.0
72.16476	0.6
77.85767	0.5
79.05513	1.7
80.05006	0.8
81.07065	4.0
81.77233	0.6
82.06574	0.8
84.04508	0.7
84.08134	1.8
91.05472	1.1
93.07037	1.7
94.06573	1.5
95.08672	0.7
96.08144	1.5
97.02904	0.6
98.23524	1.1
99.04462	1.0
101.26617	0.7
105.07017	1.6
106.49332	0.6
107.08598	1.5
109.06493	1.5
110.09698	1.0
111.08107	1.2
116.39246	0.6
120.08113	1.0
121.06598	0.8
122.09669	2.6
124.11259	0.9
131.08487	0.6
134.09590	0.6
136.11241	4.2
137.05968	5.6
138.12781	13.8
139.07535	1.3
142.12299	0.9
150.09201	2.1
150.12793	1.7
151.13492	0.8
151.82335	0.6
154.12283	0.8
161.13255	0.7
162.12857	1.3
164.14363	3.8
166.15891	1.1
168.10194	2.3
177.05313	0.7
182.11786	2.8
182.15401	0.9
184.13394	1.0
195.13802	0.7
223.13243	0.8
234.14650	0.6
236.16394	3.6
239.53777	0.6
249.11266	0.6
262.18155	0.7
264.19495	1.2
276.12704	0.9
282.53738	0.6
292.18958	0.9
300.19458	1.4
314.17947	0.6
316.19092	1.2
318.20581	2.0
348.25488	0.6
372.21719	0.8
374.23273	5.4
376.25134	0.9
388.21307	4.0
389.21484	5.4
390.22723	76.8
391.23093	10.6
392.24271	100.0
393.24661	2.6
416.20642	4.9
417.21085	1.0
418.21948	1.3
420.23062	0.8
807.42194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41306	0.1
58.06577	0.2
59.79999	0.1
67.05500	0.4
69.03429	1.6
69.53291	0.3
69.53674	0.4
70.06593	2.0
71.04996	0.8
73.15384	0.1
77.49851	0.1
79.05486	0.5
80.04993	0.4
81.07059	1.8
83.04938	0.1
83.07378	0.2
84.08144	0.5
91.05508	0.2
93.07037	0.4
94.06563	0.4
95.04973	0.2
95.08599	0.5
96.05789	0.1
96.08129	0.8
97.02894	0.6
97.06573	0.2
97.08914	0.2
98.22754	0.3
98.69767	0.1
99.04482	0.2
100.05293	0.1
105.07009	0.4
107.08591	1.0
108.08134	0.2
109.06508	0.6
110.09683	0.4
111.04433	0.2
111.08062	0.5
112.07605	0.3
119.08576	0.2
121.06482	0.2
122.09664	1.3
123.08068	0.3
124.07590	0.2
124.08875	0.6
124.11253	0.4
125.05989	0.3
125.09599	0.1
128.07040	0.3
131.08543	0.2
133.10136	0.1
134.09676	0.3
135.08035	0.3
136.11232	1.2
137.05975	5.1
145.10118	0.4
147.11746	0.2
148.11230	0.1
150.09122	1.9
150.12759	0.2
152.10704	0.5
154.12321	0.6
159.11642	0.1
161.09593	0.2
162.12802	0.8
164.14383	0.4
166.15929	1.3
166.42111	0.2
168.10197	1.8
173.09625	0.2
175.11255	0.2
176.14398	0.3
177.12881	0.2
180.10167	0.2
182.11797	2.6
183.11977	0.1
184.13362	0.6
192.13840	0.3
194.15442	0.8
196.13397	0.2
198.11267	0.2
200.54208	0.1
203.10678	0.2
216.13857	0.2
220.16992	0.2
221.11719	1.5
222.14996	0.2
234.14944	0.2
236.16438	3.8
262.18109	0.2
264.19611	1.4
274.18002	0.2
278.17508	0.3
290.17667	0.2
292.19058	2.3
316.19101	1.6
319.06314	0.1
320.18289	0.1
362.23315	0.3
372.21674	0.4
388.21103	0.7
389.21426	0.8
390.22733	100.0
391.23038	2.3
418.22363	0.6
510.71106	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	808.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.6
57.07078	2.4
57.91968	0.6
59.04999	1.1
61.02926	5.1
65.03943	2.8
65.43354	0.6
67.05507	37.6
69.03432	21.9
69.07069	18.4
71.01359	0.8
71.04996	3.9
73.02913	5.2
77.03928	1.2
79.05496	18.6
79.50679	0.6
81.02962	1.1
81.03423	17.6
81.03895	1.2
81.07057	56.8
82.07401	0.7
83.01333	0.6
83.04971	3.3
83.08619	7.2
84.08183	0.7
84.54913	0.6
85.02907	66.4
85.06537	1.7
86.03252	0.6
87.04469	16.2
91.03956	3.6
91.05482	29.6
93.07045	83.4
94.06591	0.6
95.04973	8.7
95.08607	57.1
96.08155	0.7
96.08916	1.2
97.02894	23.6
97.06543	1.9
97.10168	2.5
99.04443	5.3
99.08097	2.2
103.03945	2.0
103.05457	2.1
105.04565	3.6
105.07032	65.2
107.04951	1.4
107.08595	56.3
108.08894	1.0
109.02880	10.6
109.06538	4.5
109.10159	99.2
110.10490	1.7
111.04436	0.9
111.08086	8.5
111.11712	0.9
115.03934	58.9
117.07034	3.1
119.08588	58.6
120.08835	1.2
121.06521	1.4
121.10149	58.1
123.08102	1.3
123.10880	1.2
123.11717	17.6
125.09618	2.1
127.03912	33.4
127.07561	1.3
129.05473	0.8
129.07010	1.0
131.08580	4.2
133.04971	26.1
133.10129	32.4
134.10449	0.9
135.08112	1.2
135.11693	55.5
136.12056	1.3
137.06009	1.7
137.09605	1.5
137.13223	1.1
139.11162	0.9
143.08595	1.5
145.04958	36.0
145.10095	5.5
147.11687	68.9
148.12115	1.2
149.09656	2.3
149.13261	2.1
151.11243	0.8
152.05638	0.9
156.06532	0.9
156.09428	0.7
157.04985	1.2
157.10118	2.7
159.07991	0.7
159.11655	3.4
160.12425	1.5
161.09607	1.5
161.13251	20.1
162.12714	1.0
163.06027	5.9
163.11183	2.0
163.14742	1.1
165.09143	0.8
165.12799	1.6
169.10066	1.2
171.11703	1.2
172.61824	0.7
173.09599	1.4
173.13130	0.9
175.06058	1.4
175.11150	2.0
175.14781	6.6
177.16386	0.7
183.11728	0.7
187.06136	0.8
187.11014	1.0
187.14804	1.0
193.12254	2.5
201.16406	1.1
203.17952	100.0
204.18271	2.5
205.12318	1.0
211.13275	2.3
213.16190	0.7
214.17978	1.2
215.17885	0.9
220.20708	0.7
221.15364	0.8
221.18964	5.1
229.14343	0.8
233.18951	0.7
241.07019	2.9
247.13164	0.9
259.08133	12.1
267.15839	2.2
273.18512	1.3
275.07413	0.6
277.09195	31.4
285.16837	3.1
291.19513	1.5
293.18948	0.8
311.20074	1.3
329.21072	1.2
365.23087	1.1
383.24423	0.7
388.20935	2.2
389.21396	1.2
407.73303	0.8
439.26846	1.8
461.29224	2.0
479.29694	2.3
514.30603	0.8
535.16504	1.9
539.33594	0.9
557.34143	2.0
575.35431	1.9
593.36761	1.2
627.36621	0.7
808.42255	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	808.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	21.6
59.05004	2.3
61.02931	2.8
65.03934	4.0
67.05506	68.0
67.05867	3.5
69.03430	20.0
69.07069	47.8
69.07447	3.2
69.20760	10.5
71.04672	2.3
71.05000	19.8
73.02924	4.6
76.52300	1.8
77.03925	2.3
79.05495	69.2
79.05952	3.9
81.03420	100.0
81.07056	83.4
81.07550	2.0
83.04983	20.7
83.08625	33.1
85.02905	13.6
85.06543	5.1
87.04473	2.0
91.03899	2.0
91.05479	58.2
93.06450	2.5
93.07047	56.7
95.04968	47.6
95.08606	30.7
97.02886	13.0
97.06532	59.8
97.10173	21.4
98.23496	3.1
99.04475	4.3
99.08094	6.0
103.05462	3.0
105.04524	2.7
105.07030	46.8
105.07739	2.6
107.04953	21.6
107.08598	33.7
109.02889	5.3
109.06522	25.2
109.10156	16.4
111.04456	6.8
111.08083	15.1
112.07594	3.8
113.02340	1.5
113.06014	3.6
115.05468	3.9
115.07558	20.9
117.07027	22.2
119.04966	2.5
119.08574	38.4
121.06515	14.4
121.10144	22.4
123.04468	2.8
123.08080	12.8
123.11705	9.2
125.09627	17.2
127.03922	4.3
128.06226	3.2
129.07004	24.5
131.04961	1.9
131.08566	37.3
133.06483	11.3
133.10132	23.9
133.40392	1.8
135.04323	1.8
135.08058	16.1
135.11699	12.5
137.06047	2.2
137.09608	7.0
140.07079	4.0
141.06982	4.5
142.07751	3.3
143.06993	1.9
143.08578	15.2
145.04955	2.3
145.06516	7.4
145.10121	17.2
147.08063	12.0
147.11687	18.3
149.09596	14.1
149.13290	7.4
151.11182	7.0
153.09079	3.7
153.12756	3.3
155.08574	6.6
157.06561	3.4
157.10138	20.2
159.08076	10.3
159.11708	9.0
161.05949	3.2
161.09592	8.8
161.13286	3.6
163.11192	10.3
165.09206	3.0
165.12776	4.8
167.07095	2.1
167.08553	2.7
169.10159	5.0
171.11720	6.1
173.04491	3.9
173.09619	7.1
173.13272	5.5
175.11174	16.2
177.09081	2.2
177.12755	6.1
179.08682	1.8
179.10632	2.3
181.10092	3.3
181.12209	3.0
183.11708	4.0
185.09647	3.5
185.13319	4.1
187.11166	5.1
189.11232	7.2
189.12753	3.0
191.10677	3.6
193.10440	3.3
193.12224	26.5
195.11841	3.5
195.13754	4.0
199.11206	3.4
199.14641	2.1
201.12782	2.7
205.12222	2.7
207.13824	2.3
211.13289	5.1
217.15903	7.4
219.13795	3.3
221.15370	3.2
223.13252	4.1
227.12656	12.0
227.17970	1.9
229.14180	2.1
233.13246	2.2
233.15422	3.0
241.15973	2.4
245.19034	2.1
249.14867	3.9
253.14337	2.3
255.15739	2.6
261.15176	1.6
267.15903	71.3
269.17529	14.9
271.17133	2.6
273.18469	23.7
275.20093	3.0
285.16962	2.6
289.18015	2.2
291.19543	20.3
307.19171	2.8
309.20569	4.3
313.21652	3.5
329.20932	1.7
345.20862	2.6
347.22183	10.4
349.23468	2.1
351.22839	1.9
365.23318	13.4
369.24124	5.2
383.24237	6.6
387.25146	4.0
396.62579	1.9
399.72287	1.7
420.24155	2.0
435.27420	6.3
443.27908	6.7
447.27740	7.0
461.28983	35.5
465.30905	7.4
471.27475	2.1
477.28030	2.2
479.30124	8.0
483.30948	7.9
485.29062	3.0
487.30240	5.7
489.28436	3.2
499.30487	5.6
517.31354	4.8
521.32861	3.5
539.33636	23.6
557.34784	62.5
558.34967	2.3
575.35803	46.4
578.33075	2.3
581.35675	2.4
593.36554	3.6
596.34381	3.2
599.35107	2.1
614.41815	2.0
758.69012	2.3
808.42340	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	808.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	28.0
57.07099	1.5
59.05010	6.6
61.02925	7.4
65.03940	3.3
67.05505	100.0
69.03428	11.2
69.07066	15.1
71.01344	1.7
71.05000	10.5
71.08624	1.4
73.02922	4.6
79.05492	46.4
81.03419	84.5
81.07055	48.9
83.04983	23.2
83.08619	34.6
85.02907	36.3
85.06538	4.4
87.04472	5.1
91.03960	3.7
91.05480	51.9
91.06055	1.9
93.07053	32.7
95.04970	30.7
95.08607	20.7
97.02893	11.1
97.06515	7.2
97.10167	16.3
98.97558	2.4
99.04465	2.5
99.08102	2.2
105.07032	28.8
107.04961	14.9
107.08588	17.8
109.05862	1.3
109.06470	7.4
109.10158	64.3
111.04443	4.5
111.08077	15.7
113.06041	2.8
115.05463	3.2
117.07013	4.4
119.04914	1.4
119.08585	29.1
121.06507	2.8
121.10124	10.0
123.08054	5.4
123.11714	2.1
125.09642	16.0
129.05502	1.5
129.06995	14.4
131.08575	15.1
133.06517	2.2
133.10121	17.7
135.11684	6.2
137.09665	6.3
142.07762	3.7
145.06592	1.4
145.10143	7.8
147.08058	3.9
147.11662	15.5
149.09650	8.8
153.12685	4.1
155.10686	5.5
157.10159	15.4
163.11188	10.5
165.12735	4.3
173.09615	1.3
173.11731	14.4
175.11185	20.1
181.12224	2.9
184.07396	3.1
191.10655	3.7
193.12253	64.1
199.13315	5.5
209.11717	8.3
211.13289	91.4
212.13608	2.7
227.12852	6.4
229.14352	55.1
243.08191	1.6
249.15028	1.5
267.15894	28.4
283.15259	6.4
285.16974	71.1
301.16516	14.7
351.64447	1.5
383.23630	1.5
386.92847	1.6
401.25381	16.2
409.25711	3.7
413.17587	5.3
421.25797	14.0
427.26883	3.3
439.26938	44.3
467.18643	3.6
493.27756	5.1
511.28946	11.5
581.29327	2.4
593.36456	2.1
598.77271	1.4
611.37939	32.3
639.29816	32.1
808.42780	10.6
809.39075	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	808.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	20.5
57.07077	4.5
59.04996	3.5
61.02918	5.3
65.03945	4.7
67.05506	75.2
68.05827	3.4
69.03423	12.2
69.07072	21.7
69.46564	6.7
69.46960	3.1
71.04992	11.1
71.08635	17.7
73.02906	4.1
78.13982	2.0
79.05496	57.1
80.05830	2.8
81.03418	100.0
81.07063	65.7
83.04980	16.3
83.08617	37.8
85.02913	16.3
85.06561	6.5
87.04463	3.2
91.03965	3.3
91.05482	56.5
92.60004	2.4
93.07045	54.3
95.04972	45.0
95.05520	1.5
95.08612	36.9
96.05353	2.2
97.02898	10.1
97.06546	12.7
97.10162	21.5
98.22749	4.9
99.08111	11.3
103.05486	3.1
104.63676	2.3
105.07037	42.4
107.04990	10.6
107.08592	32.1
107.26324	2.0
109.02883	3.6
109.06547	11.7
109.10163	22.1
110.10530	3.0
111.04468	5.6
111.08083	10.3
115.05489	4.9
117.06999	11.9
117.78686	2.3
119.08585	29.4
121.06539	6.7
121.10143	21.5
123.08073	7.3
123.11718	4.1
125.09650	20.8
127.03900	4.9
129.07004	16.0
129.79489	2.3
131.04944	5.4
131.08569	25.4
133.06480	7.0
133.10112	21.7
135.08043	4.5
135.11719	10.2
137.05984	2.6
137.09665	4.1
139.11201	2.6
143.08562	8.2
145.06488	6.2
145.10146	11.3
147.08099	7.0
147.11696	13.2
149.06042	2.7
149.09639	11.1
149.13268	10.7
151.11139	14.2
153.09116	2.8
155.08534	3.5
157.10156	10.5
159.11707	7.4
161.09648	3.3
161.13313	6.8
163.11182	9.9
165.12714	3.0
171.08044	3.6
171.11639	6.8
173.11769	4.7
173.13211	3.5
175.11131	11.4
177.12793	3.9
179.14352	3.0
184.07353	4.4
189.11229	10.4
191.55177	2.1
193.12230	34.5
204.13780	4.0
211.13330	6.4
217.15794	2.6
227.12733	22.0
227.14435	2.4
229.14297	14.5
245.13759	4.5
249.14877	4.4
253.14336	3.3
267.15894	94.1
268.16302	3.8
269.17523	23.4
277.21780	16.1
285.16968	4.3
293.21268	10.9
317.24823	3.1
331.22400	3.2
351.25421	24.4
367.25079	2.4
369.24130	5.6
387.24814	2.3
388.21179	3.9
389.21619	3.1
399.44778	2.6
405.48267	2.3
419.24304	3.4
421.25616	4.1
429.26013	2.3
435.27576	4.4
437.25061	7.3
443.27863	9.1
445.29510	5.8
447.27493	10.3
461.29013	97.5
469.33405	3.3
493.31616	15.7
499.21451	3.9
525.35706	3.1
543.36792	81.0
544.37207	4.3
554.22638	2.4
561.37817	29.3
562.38214	2.8
593.40845	3.5
639.29517	5.7
764.44855	2.9
808.45355	22.4
809.42908	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	10.4
61.02910	3.8
65.03888	3.6
67.05158	6.3
67.05501	79.2
69.07068	13.5
69.12515	26.4
79.05491	66.0
81.07053	56.7
83.04987	5.0
83.08617	8.4
83.15289	3.8
91.05474	49.6
93.07043	63.9
93.16038	3.6
95.04964	7.3
95.08605	45.4
97.10194	4.1
105.07023	52.0
107.08590	34.6
109.10191	20.6
113.37835	3.4
114.23025	3.8
117.07023	15.7
119.08568	48.1
121.10134	29.8
123.11707	5.7
129.07031	11.4
131.08562	29.8
131.17636	4.2
132.37221	3.6
133.10126	32.0
135.11678	20.5
143.08572	4.4
145.10124	23.8
147.11670	28.4
149.13301	13.7
157.10153	7.2
159.11723	24.1
161.13274	17.8
163.14900	5.7
169.10262	6.2
171.11684	16.5
173.13255	15.8
175.14833	8.2
185.13251	8.6
187.14813	4.6
199.14774	6.0
201.16553	4.4
204.73775	3.5
212.39737	3.8
215.18033	5.8
231.21152	8.4
239.17802	4.5
241.19545	23.4
243.20976	6.1
257.18945	7.3
259.20575	71.3
261.22119	11.8
285.22318	4.2
315.23181	6.5
320.26083	3.9
333.24228	64.1
335.25769	100.0
353.28699	4.9
356.10767	4.3
493.78293	4.0
507.02182	4.1
519.41840	7.9
593.45331	10.2
611.46722	75.2
612.46558	6.4
617.29358	4.8
813.84241	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	809.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37114	3.1
76.12741	0.9
79.05499	5.3
81.11883	0.9
87.15458	1.0
89.03912	1.0
90.04677	0.9
91.05482	2.7
95.04981	1.5
103.05465	6.4
105.07031	26.5
115.05431	6.3
118.04212	3.2
131.04968	3.8
133.06496	27.6
143.04976	1.1
143.06053	2.5
144.30888	1.1
146.26292	1.0
148.05246	1.5
149.06007	3.7
151.07573	2.0
161.05988	37.0
161.07336	1.8
162.06735	1.3
163.07555	2.1
164.08403	1.4
165.05441	1.3
168.49290	1.0
176.08406	4.6
177.05460	1.1
177.09164	1.3
179.07077	4.0
181.04964	2.3
184.05084	3.4
189.08989	1.0
191.07048	11.3
191.08501	1.2
191.10727	1.0
192.07881	2.7
193.08612	11.9
197.08173	1.1
203.10294	0.9
204.04015	5.6
205.04724	100.0
206.05177	1.2
207.06592	4.8
215.06792	8.8
217.04906	1.2
219.10255	1.0
231.06276	4.7
232.07089	6.1
261.07394	1.5
269.01932	1.0
274.08322	1.6
278.11588	1.9
287.09058	3.1
352.12463	1.4
365.10004	6.7
379.11603	2.2
380.12283	6.8
443.13232	1.4
469.14740	3.8
475.15958	1.2
482.15448	3.1
483.16479	3.2
499.15790	1.8
542.17609	24.6
543.18292	1.5
557.16711	1.4
637.13049	1.2
677.37750	1.1
721.24115	1.4
734.20044	1.3
749.24176	51.6
750.24200	4.6
809.26251	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.2
59.05010	0.6
61.02910	2.2
61.51582	0.6
67.05508	9.3
68.05831	1.0
69.03415	1.5
69.07060	2.0
71.04983	1.3
73.02908	1.2
74.87606	0.5
76.52578	0.5
79.05490	5.2
81.03419	2.4
81.07063	6.3
82.07366	0.8
83.04965	1.8
83.08602	2.0
85.02910	2.8
85.06517	0.9
87.48016	0.5
91.03946	1.3
91.05479	4.8
92.05780	0.9
93.07053	4.2
94.07364	0.8
95.04950	2.3
95.08607	2.9
96.08942	0.7
97.02901	2.5
97.06528	1.7
97.10137	1.9
99.04470	0.8
101.02381	0.9
105.04510	0.6
105.07031	2.5
105.96593	0.6
107.04948	0.7
107.08587	3.8
108.05254	0.5
108.08869	0.5
109.06506	1.1
109.10159	4.0
110.10480	0.6
111.08073	1.1
117.06982	1.2
119.08572	2.5
121.06516	0.7
121.10101	1.6
123.08042	0.5
123.11755	0.8
125.09612	1.8
127.03908	0.7
129.06995	0.6
131.08545	2.1
133.10088	1.9
135.08054	1.0
135.11659	1.6
145.06485	0.7
145.10109	1.7
147.11659	1.0
149.09596	1.4
157.10164	0.6
163.11127	1.7
173.11786	0.6
175.11176	0.8
189.11140	0.8
204.13875	0.7
209.11487	0.6
227.12743	1.4
229.14417	3.2
230.14642	1.2
243.08405	1.7
249.10930	0.7
260.12918	0.5
269.17346	1.1
275.19995	1.0
276.20352	0.9
283.15250	0.8
301.16394	1.5
302.16721	0.6
331.18747	0.6
349.23587	0.8
424.27728	0.8
467.18594	1.7
501.23273	1.1
503.33118	0.8
549.26379	1.7
576.36078	0.6
583.30865	1.0
594.37598	0.7
791.36707	1.0
809.36975	100.0
810.37030	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	809.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
58.96755	0.3
59.05024	0.5
61.02929	4.8
67.05505	8.1
69.03430	2.8
69.03748	0.3
69.07069	0.5
69.83043	1.0
70.06614	0.4
71.01366	0.3
71.05014	1.0
73.02924	3.2
79.05485	1.7
81.03416	2.6
81.07057	2.1
83.01384	0.7
83.05025	0.8
83.08627	1.4
85.02914	5.2
85.03400	0.3
87.04440	0.4
91.03954	3.8
91.05487	1.7
93.07050	1.8
95.05006	1.0
95.08608	1.4
97.02893	4.8
97.03478	0.3
97.06563	0.4
97.10186	0.3
99.04515	1.0
101.02389	1.8
103.03986	0.6
105.07077	0.9
107.04981	0.6
107.08639	1.0
109.02877	1.4
109.06577	0.3
109.10157	7.6
111.04417	0.4
111.08115	0.5
115.03956	0.4
117.07066	0.8
119.08561	1.3
121.06575	0.4
121.10169	0.5
123.08113	0.6
127.03913	2.0
129.05565	0.7
131.08621	0.4
135.11757	0.8
137.09668	0.7
145.05037	0.6
145.10197	0.9
147.11845	0.3
155.10779	0.9
163.11206	1.7
173.09602	0.3
173.11752	2.1
183.06535	0.3
185.04190	1.5
187.63983	0.3
192.38889	0.3
193.12270	0.3
195.10013	1.1
197.07552	0.3
201.03769	0.6
203.05289	0.4
209.11855	0.9
216.47002	0.3
229.14326	2.2
230.14810	0.4
243.08392	3.2
249.11095	1.0
251.12689	0.6
267.15909	0.4
283.15500	0.6
285.16907	0.3
294.09845	0.3
301.08902	2.4
305.13556	0.4
306.90494	0.3
315.10583	0.6
327.10529	0.5
337.16620	0.4
347.14798	0.3
357.15259	0.3
369.15244	0.7
373.10886	1.6
385.18246	1.5
413.17813	13.7
414.17953	0.3
429.17410	0.9
431.24387	0.7
439.19431	0.6
441.21420	0.5
457.20645	0.7
467.18906	9.4
469.20639	1.1
470.21524	0.5
477.24814	0.8
497.20383	0.8
498.20688	0.5
513.27112	0.3
539.21075	1.0
581.29327	2.7
582.29547	0.5
583.27783	0.4
609.28778	0.4
639.29858	100.0
640.30359	6.6
665.31763	0.9
667.33264	2.4
695.32495	3.4
705.38837	0.5
711.31830	0.8
741.33350	0.4
745.72253	0.4
809.39368	14.3
810.39886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.5
59.04991	0.4
64.35539	0.3
67.05504	1.0
69.03437	2.7
69.97064	0.9
70.06594	0.6
71.04987	0.9
71.08627	1.0
79.05508	1.5
80.05009	0.8
80.41680	0.3
81.07052	1.2
82.06578	0.9
82.48536	0.3
83.01348	0.9
84.08181	0.3
85.06557	0.4
91.05482	2.3
93.07038	1.3
94.06543	1.1
95.04964	1.2
95.08645	0.3
96.08148	1.5
98.06060	0.7
98.09719	0.3
99.04444	1.3
100.07637	0.5
105.07034	1.2
106.06557	4.4
107.04933	0.4
107.07343	0.4
107.08579	0.5
108.08134	1.2
109.06520	0.7
111.10390	0.4
115.05479	0.5
117.07011	0.9
119.04970	0.7
119.07306	0.3
119.08570	1.5
120.08112	1.1
121.06502	0.8
122.09661	0.7
123.04379	0.4
124.11234	1.2
127.03916	1.1
128.06175	0.6
129.07047	0.6
130.06537	0.4
131.08575	2.2
132.08083	0.5
133.06508	0.4
133.08905	0.6
134.09641	0.6
135.08072	0.7
135.10391	0.6
136.11226	4.0
137.06027	0.5
138.09158	0.4
138.12758	2.2
139.07568	0.5
140.10684	0.9
141.05490	0.4
141.07039	0.6
142.07777	0.3
142.12267	3.0
143.08546	1.1
145.02800	0.3
145.06473	0.4
145.10071	0.6
146.09633	0.5
146.70181	0.3
147.08041	0.4
148.07573	0.6
149.06039	0.4
150.09105	0.5
150.12825	0.4
151.03909	0.7
152.10683	0.5
154.12340	1.8
155.03394	0.9
155.07060	0.9
156.06012	0.3
156.13852	4.0
158.09673	0.4
159.08063	2.0
160.08795	1.0
160.11209	0.4
161.09634	0.5
161.12012	0.4
162.12740	1.5
163.07597	0.7
163.11186	0.6
164.02905	0.3
164.10657	0.4
165.05452	0.9
167.07100	0.7
169.10001	0.3
171.08020	0.4
173.06026	0.5
173.09651	1.2
174.12761	0.5
175.11166	2.2
177.05565	0.5
179.07014	0.8
179.13037	0.9
182.11757	0.4
183.06544	1.2
186.12653	0.8
187.07562	1.1
187.11125	0.4
187.13533	0.4
188.08255	0.4
189.09081	0.6
190.06192	0.3
190.12280	3.0
191.07011	1.4
191.10715	0.8
192.13820	0.3
200.10719	0.3
201.09148	0.5
203.10681	1.1
204.13843	0.7
205.08609	0.5
206.15323	0.4
207.06430	0.5
214.12343	0.5
214.15846	0.8
219.10175	0.9
222.14967	0.4
231.10216	0.6
232.13374	0.5
232.17039	0.4
233.08003	0.5
247.09734	1.6
254.12035	0.4
261.11420	0.4
263.09174	0.4
273.11234	0.5
275.12732	1.7
278.17523	0.4
292.16806	0.6
294.18515	1.3
297.17419	0.8
312.19617	1.3
324.19632	1.1
326.21149	0.9
330.17123	0.4
332.14813	1.0
342.17001	0.5
342.20670	0.5
344.22388	0.4
352.18958	1.6
358.20175	0.6
360.21564	0.5
368.18475	0.9
370.20148	1.4
371.17209	0.4
386.19595	5.8
387.19882	0.6
388.21176	23.2
389.21814	0.7
390.22794	1.1
391.22919	0.5
392.24323	6.8
404.20673	100.0
405.21021	14.2
405.26419	0.6
406.22168	59.8
407.22290	1.5
650.09619	0.3
809.42285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50587	0.2
65.91006	0.1
67.05505	0.3
69.03436	1.6
70.06591	2.1
71.05003	1.1
79.05499	0.5
80.05020	0.5
81.07068	1.2
83.04986	0.2
84.08155	0.5
85.29345	0.2
91.05485	0.3
93.07067	0.4
94.06567	0.3
95.04991	0.2
95.08632	0.3
95.84942	0.1
96.08139	0.4
97.02895	0.4
97.06528	0.3
98.06072	0.2
98.22668	0.5
99.04455	0.6
105.07061	0.4
107.08614	0.6
108.08143	0.2
109.06521	0.6
111.08080	1.4
119.08593	0.2
120.08118	0.2
121.10164	0.2
122.09669	1.1
123.08077	0.5
124.07563	0.1
124.08836	0.4
124.11172	0.2
125.06035	0.4
126.05506	0.2
127.03925	0.2
128.07072	0.3
131.08615	0.2
134.09677	0.4
135.08052	0.3
136.11188	1.0
137.05981	3.9
137.09628	0.2
139.07556	0.6
145.10126	0.2
146.09727	0.1
148.11256	0.2
149.09648	0.2
150.09161	1.4
151.07571	0.2
152.10741	0.5
154.12349	0.4
155.03476	0.2
160.11299	0.4
162.12788	0.4
163.11075	0.2
164.14371	0.3
166.15952	0.9
168.10211	1.3
170.11784	0.2
175.11211	0.2
176.14311	0.2
180.10205	0.2
182.11775	2.1
183.06624	0.3
184.13348	0.4
190.12183	0.2
194.15509	0.5
196.13329	0.2
208.13362	0.2
209.15306	0.2
213.12392	0.2
218.11847	0.6
220.17102	0.1
221.11668	1.1
222.14812	0.1
223.13278	0.3
225.07489	0.2
234.14905	0.2
235.15495	0.2
236.12845	0.5
236.14139	0.2
236.16441	2.9
264.19574	1.1
268.26730	0.2
278.17453	0.2
290.17474	0.2
292.19092	2.1
316.19043	1.1
362.23221	0.3
372.22009	0.2
388.21069	0.5
389.13828	0.3
389.21616	0.5
390.22751	100.0
391.23120	3.2
407.22781	0.2
420.20184	9.0
421.20514	2.0
434.22058	0.3
601.33582	0.4
612.61053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10492	0.1
67.05505	0.4
69.03429	1.9
69.13346	0.7
70.00722	0.1
70.06591	2.7
71.04996	1.0
72.08158	0.2
77.94905	0.1
79.05504	0.4
80.05021	0.6
81.07064	1.6
82.04196	0.1
83.07380	0.2
84.08118	0.6
86.09724	0.2
91.05482	0.5
93.07018	0.6
94.06577	0.3
95.08603	0.5
96.08131	0.7
97.02894	0.8
97.08936	0.3
98.06087	0.1
98.22694	0.2
99.04459	0.2
100.07590	0.2
105.07016	0.5
107.08592	1.1
108.08097	0.2
109.05851	0.1
109.06490	0.7
109.10164	0.1
110.09688	0.5
110.23208	0.1
111.08092	0.3
117.07004	0.2
118.64366	0.1
119.08575	0.4
120.08112	0.4
122.09675	1.1
123.08076	0.4
124.08860	0.7
124.11220	0.3
125.05991	0.4
126.09147	0.2
128.07121	0.3
131.08586	0.2
133.10091	0.1
134.09631	0.3
135.08044	0.3
136.11203	0.9
137.04929	0.3
137.05972	4.5
137.76860	0.1
140.07031	0.1
145.10132	0.3
150.09128	1.5
150.12788	0.2
152.10728	0.3
154.12292	0.5
157.10164	0.1
159.11729	0.2
161.09547	0.2
162.12788	0.5
164.14372	0.2
166.14658	0.2
166.15901	1.0
168.10204	1.5
173.09613	0.1
176.14383	0.2
180.10139	0.2
182.11757	2.2
184.13298	0.6
186.34131	0.1
190.15965	0.2
192.17450	0.1
194.15359	0.7
196.13356	0.2
198.11232	0.2
218.15353	0.1
220.13455	0.2
221.11736	2.0
222.14964	0.2
234.14821	0.2
236.12906	0.2
236.16446	3.7
264.19589	1.7
274.18118	0.2
277.81479	0.1
278.17465	0.4
280.12344	0.1
292.19031	1.8
293.19461	0.1
316.19034	1.2
362.23343	0.3
372.21802	0.2
390.22723	100.0
391.23080	2.3
420.20151	7.3
580.06122	0.1
750.26715	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	809.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11277	0.1
62.95841	0.1
67.05508	0.4
68.05037	0.1
69.03428	1.6
69.07038	0.1
70.06238	0.2
70.06598	2.5
71.04993	1.2
78.21965	0.1
79.05492	0.9
80.05004	0.5
81.03416	0.2
81.07063	1.9
83.04971	0.1
83.07364	0.2
84.08138	0.5
91.05483	0.4
91.91561	0.1
93.07048	0.7
94.06553	0.5
95.04959	0.3
95.08603	0.5
96.04509	0.1
96.08139	0.6
97.02895	0.6
97.06532	0.2
97.08932	0.2
98.06068	0.2
98.23481	0.3
99.04475	0.3
100.07621	0.2
102.45572	0.1
104.71175	0.1
105.07052	0.6
106.47612	0.1
107.08600	1.0
108.08093	0.3
109.06504	0.7
109.10155	0.1
110.09677	0.5
111.08078	0.6
112.07643	0.2
117.07003	0.1
119.08577	0.3
120.08102	0.2
120.18398	0.1
121.06480	0.2
121.10088	0.1
122.09657	1.4
123.04431	0.2
123.08066	0.4
124.07613	0.1
124.08873	0.6
124.11240	0.3
125.06030	0.3
125.36028	0.1
128.07079	0.4
129.07051	0.1
131.08556	0.2
133.10205	0.1
134.09691	0.3
135.08032	0.4
136.11240	1.0
137.05984	5.9
138.12718	0.1
142.08705	0.2
145.10175	0.4
146.09662	0.1
147.11731	0.2
148.11201	0.1
149.09615	0.1
149.12039	0.1
150.09142	1.7
151.07515	0.2
152.10684	0.4
154.12277	0.5
155.66399	0.1
158.49283	0.1
159.11717	0.2
160.11288	0.1
162.12798	0.5
164.10716	0.1
164.14352	0.3
166.15906	1.2
168.10201	1.6
175.11211	0.2
176.14322	0.1
182.11768	2.1
184.13365	0.4
185.09714	0.2
187.11246	0.1
190.15970	0.2
192.13788	0.2
192.17511	0.2
194.15416	0.8
196.13260	0.2
198.11292	0.2
218.15413	0.2
219.10173	0.1
220.17039	0.1
221.11740	1.6
222.14920	0.3
229.38458	0.1
234.14896	0.2
236.16443	3.9
242.16338	0.1
262.18127	0.1
264.19592	1.7
275.09875	0.1
278.17471	0.3
290.17599	0.3
290.32974	0.1
292.19067	2.5
316.19052	1.5
318.16074	0.1
362.23141	0.3
372.21854	0.1
388.21228	0.3
390.22739	100.0
391.23038	2.7
420.20166	8.7
421.20456	0.3
487.79880	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	809.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.04998	1.0
61.02934	4.9
65.03947	0.4
67.05505	6.9
69.03426	3.4
69.07051	2.3
69.70300	1.4
69.70641	0.4
70.96159	0.4
71.01337	0.5
73.02917	4.4
79.05499	4.2
81.03416	7.1
81.07045	5.4
81.07425	0.4
83.04990	1.6
83.08622	1.9
84.76216	0.4
85.02900	6.3
85.06533	0.5
87.04490	1.2
91.03954	2.6
91.05486	5.2
92.37152	0.4
93.07047	3.8
95.04971	2.8
95.08611	2.9
96.88763	0.4
97.02895	4.8
97.06552	0.9
99.04448	1.0
101.02377	2.3
105.07027	3.6
107.04980	1.4
107.08595	2.8
109.02902	1.4
109.06553	1.2
109.10162	4.3
111.04465	0.7
111.08103	1.7
117.22509	0.4
119.08563	3.0
121.06531	0.6
121.10159	1.9
123.08092	0.6
127.03935	1.8
129.05518	0.6
129.07053	1.1
131.08577	2.3
133.10126	3.2
135.11740	0.6
143.08641	0.5
143.61411	0.4
145.10161	0.6
147.11662	2.4
149.09637	1.7
151.11234	1.0
157.10181	1.3
163.11218	1.0
175.11212	1.9
185.04266	0.9
193.12219	3.4
203.05298	0.6
211.13303	2.3
212.13687	0.7
223.81128	0.5
225.14899	0.8
227.12796	0.5
229.14462	1.2
243.08414	4.8
249.11092	1.7
259.07974	0.5
262.97678	0.4
267.15961	1.4
268.16339	0.5
280.54218	0.5
283.15207	3.6
285.17041	1.2
286.17261	0.5
301.08963	1.6
313.17963	0.8
315.10727	0.7
331.18686	2.7
339.17783	1.3
342.74310	0.4
369.20654	0.5
373.11099	0.6
385.18451	0.8
385.25159	0.4
387.21600	0.5
413.17703	4.0
429.16800	0.5
437.17758	0.5
439.26892	0.7
440.27444	0.9
441.21426	0.6
451.19550	1.8
467.19006	3.7
469.20624	1.2
501.22992	14.3
526.20630	0.5
531.25879	2.1
549.26660	2.4
573.25360	2.0
610.29474	1.0
639.29846	27.7
640.30017	2.1
648.72528	0.5
667.33264	1.6
695.32635	0.9
698.43408	0.5
711.35254	2.5
718.31238	0.5
791.41791	6.6
809.42804	100.0
810.43066	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	809.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.05004	1.3
61.02931	4.4
65.03944	0.7
67.05508	7.4
68.05852	0.8
69.03437	4.2
69.07063	2.8
69.97044	1.1
70.06601	0.8
71.04999	1.6
73.02933	3.7
79.05502	4.2
81.03418	6.0
81.07068	4.1
82.46261	0.4
83.04990	2.0
83.08618	2.3
85.02911	5.4
85.06559	1.0
87.04504	0.4
91.03952	2.4
91.05484	5.0
93.07053	3.9
95.04974	3.2
95.08627	1.5
96.08105	0.6
97.02890	4.2
97.03378	0.4
97.06542	1.1
97.10194	1.3
99.04460	0.6
101.02414	1.4
103.03935	0.4
105.07041	1.9
107.04966	1.2
107.08601	2.9
109.02911	0.9
109.06503	0.8
109.10158	2.1
111.08147	0.6
119.08624	1.9
121.06554	0.8
121.10182	1.8
123.08112	1.0
125.09650	0.8
127.03934	1.3
129.07016	1.1
131.08600	1.9
133.06267	0.5
133.10152	1.8
134.99287	0.4
145.10149	0.6
147.11737	1.1
149.09637	2.0
151.11218	0.5
157.10207	1.3
163.11195	0.8
173.11794	0.5
175.11208	1.5
185.04257	0.5
189.11293	0.6
193.12189	2.2
194.12581	0.6
203.05458	0.5
211.13260	1.0
212.13699	0.7
223.13303	0.9
243.08447	3.6
267.15930	1.6
283.15207	2.6
291.19626	2.1
301.09048	0.5
331.18921	2.0
339.17944	1.5
345.38193	0.5
440.27701	0.6
469.20523	0.9
501.23016	13.4
502.23520	0.6
549.26758	8.2
623.11230	0.5
636.55878	0.5
639.29755	2.8
809.42896	100.0
810.43036	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	809.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27922	0.7
67.05516	0.9
69.03449	0.9
70.06584	1.9
70.61112	0.8
78.49622	0.6
79.05488	1.5
81.07056	4.4
84.08122	1.3
84.93251	0.5
93.07041	2.1
95.08610	1.1
96.08139	0.7
97.08920	1.0
109.06512	1.6
110.09669	1.4
122.09679	1.2
136.11186	4.7
137.05980	3.6
138.12772	26.8
138.13850	1.3
150.12787	2.6
151.13614	1.8
153.05492	0.8
164.14339	8.2
182.15414	1.9
209.08109	0.9
236.16734	0.8
255.84718	0.6
256.13315	0.8
262.18063	1.9
265.31772	0.6
300.19620	1.9
318.17023	1.3
372.11621	0.7
374.23239	13.5
378.26270	1.2
390.22720	1.9
391.23093	3.3
392.24277	100.0
393.24680	4.3
628.86218	0.7
809.46753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99586	9.1
70.36859	1.5
76.02228	48.9
76.03992	1.6
78.04681	0.9
79.05517	1.3
80.05024	0.8
84.04495	13.7
86.99058	1.7
89.03942	1.1
91.05483	10.1
93.07056	12.5
95.04982	2.8
103.05473	13.8
105.04518	2.3
106.04199	2.3
107.04956	2.0
116.01678	11.7
117.03368	1.3
118.04137	1.0
119.16965	0.7
121.06507	26.8
130.04985	8.1
131.04919	6.8
131.05951	1.8
134.03607	6.8
137.05931	0.8
142.03232	5.6
144.01143	7.3
145.02866	5.4
147.04388	1.5
148.05203	4.0
149.05980	55.2
153.05496	1.5
160.07442	0.7
161.05957	0.9
162.02214	25.1
163.07588	3.1
164.04591	0.8
166.06288	1.6
167.07011	2.5
170.02760	2.2
173.05934	1.5
173.09328	0.9
176.04677	3.5
176.69701	0.8
177.03235	1.8
177.05479	24.8
179.03276	1.9
179.04855	37.5
180.07803	1.2
181.08594	38.2
187.05336	1.4
190.00868	1.9
191.07042	25.9
192.06497	2.2
193.08650	1.2
207.08859	5.4
208.02008	1.1
209.08090	90.8
210.08464	1.5
215.04895	1.8
218.05711	1.1
223.04237	27.0
231.04362	1.8
233.05908	9.2
245.05891	1.6
249.05730	1.9
251.09149	100.0
252.09622	1.8
266.08496	1.4
277.05258	2.3
290.08148	0.9
291.06485	1.5
294.07916	2.3
304.35089	0.8
308.09100	78.0
369.11206	13.2
410.19327	0.9
411.14551	1.6
423.12085	2.4
423.59253	0.9
443.17087	1.6
498.15482	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	811.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.5
67.05524	0.8
69.03444	0.4
69.07066	0.4
69.10886	2.0
70.06580	1.9
79.05502	0.9
81.03413	0.6
81.07061	1.2
83.08640	0.5
85.02914	0.4
90.62806	0.3
91.03954	0.4
91.05489	0.4
93.07058	0.7
95.04988	0.5
95.08607	0.4
95.89607	0.3
97.02898	0.6
97.06544	0.4
99.04456	0.3
105.07071	0.4
109.06548	0.4
176.35110	0.3
267.09018	0.6
285.10196	0.5
439.19592	0.4
467.19113	0.4
469.20245	0.5
485.17627	1.1
583.24933	0.6
710.41345	0.4
793.39917	0.6
811.38861	100.0
812.39355	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	811.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
61.02930	4.7
67.05505	5.4
69.03436	5.0
69.07082	1.7
70.06573	0.5
71.04998	1.3
73.02921	4.0
74.76586	0.4
79.05491	3.8
81.03425	5.7
81.07058	3.6
83.05012	1.3
83.08634	1.6
85.02911	7.3
85.06570	0.5
87.04472	0.5
88.64875	0.5
89.64790	0.4
91.03953	3.2
91.05483	3.6
93.07057	3.7
95.04981	2.8
95.08568	2.2
97.02886	4.9
97.06549	1.0
97.10196	0.8
99.04481	1.2
99.08093	0.7
101.02383	2.5
105.07038	3.3
107.04964	0.8
107.08616	2.1
108.13746	0.5
109.02884	0.6
109.06541	0.9
109.10162	1.5
111.08108	0.8
112.45082	0.4
113.06007	0.5
117.07059	1.0
119.08625	2.0
121.10160	1.7
123.08115	0.9
123.11756	0.6
125.09666	0.8
127.03962	1.9
129.07033	1.1
131.08588	2.1
133.10168	1.5
135.08090	0.7
135.11710	1.1
143.08478	0.5
145.10170	1.2
147.11720	1.6
149.09618	1.2
153.12585	0.4
153.61299	0.4
155.08580	0.4
157.10156	1.5
163.11205	1.4
175.11230	1.5
183.06540	0.4
185.04300	1.3
186.17229	0.4
191.28520	0.4
193.12302	1.7
209.11879	1.4
211.13358	1.1
227.12801	0.6
243.08369	3.4
244.55408	0.4
247.20729	0.5
251.12651	1.3
267.12149	1.4
267.15878	0.9
283.12555	0.5
283.15134	2.1
307.15237	0.7
315.10596	0.5
333.20493	1.4
365.19205	0.6
389.23062	0.8
413.18030	1.1
439.19846	0.8
441.17123	2.3
461.90900	0.6
469.20483	9.5
485.19803	4.9
501.23099	7.1
551.28198	4.4
583.27753	1.4
641.31427	7.5
667.33197	1.1
669.31018	1.3
713.33850	2.0
721.38300	2.7
793.39923	0.9
794.43469	0.5
810.44275	0.6
811.41919	100.0
812.42719	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	811.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
61.02928	5.4
61.03206	0.5
67.05508	6.2
69.03427	3.3
69.07086	0.6
69.90167	0.7
69.90533	0.7
71.01372	0.7
71.05008	0.9
73.02913	3.3
79.05501	1.8
81.03419	2.7
81.07072	2.5
83.05001	0.9
83.08634	1.1
85.02912	6.6
87.04476	0.3
91.03952	2.9
91.05482	2.4
93.07055	1.7
95.05013	1.3
95.08664	1.2
96.08133	2.6
97.02892	4.3
97.03460	0.4
99.04474	0.6
101.02370	1.7
101.06170	0.3
103.03985	0.4
105.07087	1.5
107.08648	0.6
109.02913	0.8
109.06580	0.4
109.10157	5.5
109.10860	0.4
111.08143	0.7
113.06030	0.4
115.03972	0.6
119.08587	1.7
121.10243	0.5
127.03908	2.1
129.07025	0.8
131.08607	0.7
133.10181	1.0
137.09685	0.5
145.05016	0.5
145.10260	0.4
147.11729	0.9
149.09619	0.4
151.11171	0.4
155.10699	1.0
157.10187	0.7
173.11710	2.0
175.11279	1.1
185.04312	1.6
193.12222	1.7
195.09946	0.5
203.05307	0.6
211.13387	1.2
229.14461	1.4
243.08385	3.3
251.12527	1.6
285.16946	0.6
301.08975	2.5
307.15314	0.8
315.10623	0.8
329.12262	0.4
349.16254	0.6
367.17413	0.5
373.11136	1.0
377.28210	0.3
383.16779	0.6
385.18332	2.0
395.16925	0.8
413.17816	11.4
439.19696	0.7
441.21225	0.6
443.19009	0.8
444.19891	0.5
463.25928	0.4
469.20462	14.1
479.26178	0.7
485.20026	1.3
499.21738	1.4
528.21802	2.0
541.22253	1.8
553.30499	0.4
555.24432	0.4
583.28882	0.7
597.29492	0.6
611.29987	0.6
612.31238	1.4
639.29968	0.6
641.31433	100.0
642.31622	4.2
667.32751	1.1
669.34802	2.7
697.34113	3.0
713.33069	0.8
721.37421	2.4
743.34424	0.9
811.41260	20.6
812.41907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
61.02923	4.8
67.05505	7.4
69.03414	3.0
69.94327	0.6
70.06595	1.6
71.04999	1.2
73.02918	4.1
79.05502	2.5
81.03432	3.6
81.07059	2.3
83.08617	1.6
85.02898	5.7
87.04500	0.9
91.03967	3.1
91.05518	1.0
93.07044	2.1
95.04991	0.6
95.08620	0.7
97.02901	4.9
99.04485	0.9
101.02386	1.8
107.08594	1.0
107.27091	0.6
109.02893	1.2
109.06506	0.7
109.10164	8.7
119.08617	1.4
121.10157	1.6
127.03941	2.2
135.11681	0.9
145.10135	1.5
155.10750	0.6
163.11159	1.7
168.13293	0.7
173.11798	3.0
185.04314	1.1
195.09976	1.2
218.67612	0.6
229.14285	1.0
243.08466	2.5
249.11032	0.8
283.15286	1.0
301.08948	0.9
363.03647	0.7
406.22202	0.9
406.33646	0.6
413.17874	12.2
424.23254	0.7
467.18958	9.1
581.29016	1.0
639.29852	100.0
640.30286	3.9
641.30133	1.7
695.32062	3.3
707.39069	0.8
713.33240	5.5
811.40588	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
61.02930	4.4
65.62074	0.5
67.05504	4.4
69.03104	0.5
69.03422	2.7
69.07075	2.1
70.06584	1.1
71.04994	0.9
72.29340	0.5
73.02924	2.2
73.76823	0.4
79.05499	3.5
81.03432	3.3
81.07058	4.4
83.04990	1.4
83.08619	2.1
85.02907	4.9
87.04472	2.6
89.06026	3.9
91.03966	1.8
91.05479	3.9
93.07024	3.0
94.06651	0.5
95.04975	1.4
95.08611	1.7
97.02372	0.7
97.02881	3.8
97.06570	1.0
97.10171	0.9
98.23457	1.2
99.04449	0.9
101.02403	1.2
103.03967	0.8
105.07066	2.0
107.04976	1.0
107.08612	2.0
109.02914	1.3
109.06529	0.9
109.10157	1.0
111.04452	0.6
111.08099	0.7
117.07045	1.5
119.08614	2.2
121.06529	1.2
121.10169	1.2
123.08073	0.9
123.46839	0.5
125.09660	0.7
127.03922	1.3
129.07071	0.9
131.07037	0.9
131.08620	1.0
133.05228	0.8
133.06525	1.2
133.08603	3.4
133.10147	1.7
135.08087	0.8
135.11681	0.7
145.10164	1.6
147.08067	2.6
147.11722	0.8
148.08453	0.8
149.09622	0.9
157.10156	1.0
163.11217	1.2
175.09691	0.6
175.11206	0.9
177.11214	1.0
184.07330	0.8
185.04362	0.7
188.43253	0.5
191.10704	0.7
193.12238	1.3
194.11905	0.5
202.75569	0.6
204.13979	0.7
211.13454	0.6
222.94133	0.5
230.08171	0.8
243.08505	2.0
258.07687	2.0
267.15845	0.7
289.21777	1.2
315.10742	0.7
316.75488	0.5
317.03494	0.5
347.18466	1.4
349.19992	0.8
365.19641	0.7
388.21320	1.1
406.22479	1.0
429.24860	1.4
430.25235	1.0
439.19849	0.7
441.17282	0.9
443.18878	2.1
451.19553	0.7
467.19089	1.0
469.20352	4.3
472.29807	0.5
479.22556	1.4
485.20120	2.3
487.21643	1.7
516.25653	1.1
527.35748	0.6
528.36169	1.1
539.24890	0.8
551.49115	0.5
565.25739	1.4
567.27411	1.1
583.27502	1.1
706.42700	0.6
713.31482	5.5
714.31665	1.7
725.36963	0.9
767.38025	1.5
793.39673	1.1
811.40277	100.0
812.40070	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	811.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
61.02939	2.0
67.05506	2.2
69.03439	1.3
69.07050	0.5
69.17889	2.3
70.06592	2.1
71.05009	0.5
73.02924	1.5
79.05492	1.8
81.03417	2.3
81.07081	1.7
82.06593	0.4
83.08618	0.8
85.02916	2.3
91.03966	1.2
91.05505	0.9
93.07070	0.8
95.04971	1.0
95.08635	0.9
96.08138	2.5
97.02926	1.5
98.09718	0.6
101.02380	0.7
105.07044	0.8
107.05014	0.4
107.08574	0.8
109.02898	0.5
109.10161	2.9
110.06107	0.5
115.59565	0.4
119.08629	0.8
122.02990	0.4
125.97083	0.4
127.03938	0.7
132.83733	0.4
137.25279	0.5
145.10178	0.7
147.11734	0.7
185.04297	0.4
193.12335	0.6
212.16455	0.4
243.08488	1.3
251.12747	1.2
254.17577	0.4
267.09103	1.1
285.10321	0.5
301.09100	0.7
307.15338	0.4
315.03854	0.6
385.18149	0.9
413.17783	3.4
451.19366	0.6
467.19327	0.6
469.20377	4.1
485.16675	0.5
528.22052	0.6
551.26440	0.5
569.25854	0.5
632.44910	0.4
639.29596	0.7
641.31390	26.7
642.32050	1.2
669.34430	1.2
697.34412	1.2
699.35242	0.8
707.39984	0.5
713.33813	0.6
750.47577	0.5
793.48950	1.2
794.51099	2.1
811.42340	100.0
812.42657	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	811.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.4
68.05041	0.2
69.03429	2.7
69.51949	0.7
70.06297	0.1
70.06605	1.6
71.04991	1.7
79.05482	0.2
80.05012	0.5
81.07072	0.7
82.06570	0.1
83.04976	0.2
84.08143	0.6
85.06515	0.2
91.05506	0.2
93.07019	0.7
94.06575	0.4
95.08604	0.6
96.08141	0.4
97.06531	0.2
98.22720	0.2
99.04460	1.6
105.07038	0.5
107.08602	0.5
108.08099	0.3
109.06512	0.3
110.09677	0.3
111.08078	2.4
119.08578	0.5
121.10174	0.3
122.09678	1.2
124.07602	0.4
125.06048	0.4
125.09642	0.2
128.07114	0.4
131.08563	0.3
133.10114	0.3
134.09634	0.3
135.08069	0.2
136.11195	0.9
137.05981	0.6
137.09669	0.2
138.51228	0.1
139.07532	2.5
147.11667	0.2
150.09140	1.6
151.11264	0.2
152.10710	0.6
154.12369	0.3
159.11662	0.3
162.09169	0.2
162.12804	0.2
164.10620	0.2
164.14287	0.2
168.10225	1.3
170.11859	0.2
177.12750	0.2
180.10262	0.4
182.11763	4.3
182.13373	0.2
183.11948	0.2
184.13354	0.3
195.12102	0.2
195.13734	0.9
198.11301	0.5
202.12267	0.2
220.13310	0.2
221.11725	0.2
222.14719	0.2
223.13329	1.4
232.13406	0.2
234.14862	0.3
236.16440	0.4
260.16440	0.2
262.18134	0.5
264.19418	0.3
281.42444	0.2
292.19092	0.3
294.20407	0.2
318.20645	1.3
348.21683	0.2
374.23325	0.6
390.22763	4.6
391.23083	5.0
392.24277	100.0
393.24658	3.2
420.20163	6.2
420.25797	0.2
421.20514	0.9
422.21271	0.6
675.90479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02557	0.3
57.03442	2.1
59.04977	0.3
61.02925	4.3
65.03953	0.4
65.95639	0.3
67.05508	3.8
68.25488	0.3
69.03436	2.6
69.07068	1.6
69.46966	1.2
71.01348	0.4
71.05000	1.4
71.05360	0.3
73.02924	2.9
77.25917	0.3
79.05493	3.7
81.03416	3.1
81.07060	3.5
83.04985	0.6
83.08649	0.8
85.02912	4.2
85.06543	0.3
86.82744	0.3
87.04472	0.6
91.03963	2.0
91.05477	3.2
93.07051	2.9
95.04975	1.4
95.08604	1.7
97.02892	4.0
97.06549	0.7
97.10165	0.5
99.04462	0.9
101.02401	1.4
105.07028	2.4
107.04933	0.4
107.08620	1.2
109.02871	0.7
109.10175	0.5
111.08104	0.7
115.03905	0.3
117.07111	0.4
119.08575	1.8
121.06425	0.3
121.10120	1.8
123.08163	0.3
127.03934	1.3
129.07069	0.6
131.08611	1.3
133.10181	1.3
135.11746	0.4
145.10138	0.7
147.11740	1.3
149.09673	1.4
157.10210	0.9
165.12790	0.3
175.11244	0.7
185.04265	0.3
193.12271	1.0
196.74092	0.3
199.94597	0.3
203.05362	0.4
225.14999	0.6
243.08434	3.0
259.08395	0.4
267.15955	0.7
283.15179	2.9
283.85828	0.4
285.66754	0.4
301.09082	0.4
333.20303	1.8
339.17920	0.8
389.22824	0.4
413.17831	0.7
439.19269	0.4
441.21136	0.3
453.21234	0.8
469.20651	1.3
480.03128	0.3
501.23062	12.3
517.39276	0.3
551.28253	5.7
573.25311	0.5
641.30884	1.4
721.37378	2.0
811.44458	100.0
812.44794	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	813.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.4
57.07093	0.8
61.02929	7.8
61.88928	0.6
67.05505	6.7
69.03438	5.5
69.07076	3.0
69.34441	0.6
71.04972	1.5
71.42458	0.7
73.02924	6.1
74.31258	0.7
79.05499	6.5
81.03419	7.5
81.07063	7.9
83.01342	0.7
83.04993	3.0
83.08618	2.4
84.73480	0.7
85.02910	10.6
87.04475	0.7
91.03963	6.1
91.05499	6.4
93.07045	5.3
95.04987	4.7
95.08630	3.8
95.80164	0.6
97.02901	8.7
97.06571	0.8
97.10159	1.0
99.04461	1.5
101.02377	3.2
105.07046	3.5
107.04963	1.1
107.08617	1.9
109.02892	1.6
109.06561	1.4
109.10182	2.2
111.04462	0.9
111.08105	1.3
115.03959	1.0
119.08585	3.8
121.10164	2.1
123.08096	1.4
125.09647	1.2
127.03964	2.2
128.03204	0.7
129.07024	1.6
131.08591	2.7
133.06529	0.6
133.10147	3.2
135.11668	1.4
145.04945	0.8
145.10164	1.5
147.11743	2.1
149.09642	1.8
157.10164	2.1
161.09688	0.9
163.11253	1.1
175.11211	2.0
185.04305	1.1
193.12274	3.0
195.24318	0.7
203.05289	1.4
211.13365	1.4
243.08357	5.2
251.12598	1.2
259.07968	0.8
266.35718	0.7
267.15985	0.8
283.15195	1.3
302.04846	0.8
305.06039	0.7
307.14899	0.7
318.66150	0.7
331.18756	2.6
335.21832	2.2
338.92654	0.7
353.82904	0.6
387.21619	0.8
400.94583	0.7
413.17825	1.1
426.16867	1.2
439.19406	1.0
448.32715	0.7
467.18661	1.3
469.20551	11.3
470.20309	0.7
471.45444	0.7
501.22971	8.8
549.26978	3.6
551.28296	0.7
553.29846	5.3
585.24023	2.3
623.10223	0.8
641.31476	6.5
642.31415	1.8
643.32062	4.8
699.34540	0.7
715.33118	1.1
723.25299	1.1
723.37286	19.6
777.40387	8.7
795.42346	1.0
812.44519	2.2
813.37994	100.0
814.36316	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	813.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
61.02925	4.8
67.05505	7.1
69.03431	2.6
69.07079	1.0
69.92512	0.7
70.06601	3.9
71.04996	0.8
71.44905	0.9
73.02919	3.0
73.97522	0.7
79.05501	1.9
81.03407	4.4
81.07054	2.8
82.99512	0.7
85.02898	5.4
91.03959	3.0
91.05477	3.7
93.07041	1.8
95.04987	1.5
95.08637	1.3
96.08171	1.0
97.02872	3.7
99.04445	1.0
101.02394	2.3
105.07051	2.6
109.10137	4.3
111.08083	1.0
119.08599	2.7
121.10163	0.8
127.03921	1.8
131.08597	1.0
133.10204	1.3
137.09583	1.0
147.11668	1.1
147.95056	0.9
155.10686	0.8
173.11714	1.4
175.11235	1.4
193.12291	1.4
195.09993	1.3
202.97253	0.8
229.14236	1.2
239.07657	0.8
243.08481	3.1
251.12556	1.5
266.76166	0.8
301.09094	1.0
307.15024	1.0
324.41113	1.0
343.03247	0.8
344.89618	1.0
413.17776	8.6
426.16739	2.1
453.04227	0.8
469.20389	13.3
495.41653	0.9
605.96729	0.8
633.44952	1.0
641.31415	100.0
642.31622	4.7
643.33112	5.2
650.45190	1.1
651.45923	0.9
697.33612	2.8
701.36639	3.0
709.40088	2.4
777.28302	1.5
794.49280	1.1
795.51257	3.5
813.42743	33.6
814.40454	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.8
58.15477	0.3
61.02930	3.7
64.32540	0.4
65.03934	0.6
67.05512	4.4
67.24246	0.4
69.03432	3.4
69.07053	2.1
71.05006	1.6
73.02915	2.9
79.05488	4.7
79.60158	0.4
81.03425	5.3
81.07064	4.3
83.04996	1.2
83.08655	1.1
85.02908	4.3
85.03341	0.4
87.04465	0.4
90.27242	0.4
91.03967	2.3
91.05489	3.2
93.07053	3.6
95.04967	2.6
95.08621	2.4
97.02901	3.9
97.06550	3.1
97.10210	0.7
99.04483	1.0
99.10241	0.3
101.02406	1.2
103.03951	0.4
103.05470	0.4
105.07019	2.2
107.04973	0.7
107.08617	1.7
109.02887	0.9
109.06555	0.8
109.10178	0.7
115.16588	0.4
117.07031	0.9
119.08617	1.5
121.06522	0.5
121.10146	2.8
123.08128	0.4
123.11764	0.4
127.03967	1.4
129.05568	0.5
129.07037	1.0
131.08627	1.7
133.10150	1.1
137.05809	0.5
139.11206	1.0
147.11746	1.2
149.09641	1.5
150.10521	0.4
157.10197	1.2
161.09622	0.4
167.10771	0.4
175.11205	0.8
176.42845	0.4
184.07445	1.2
185.04250	0.6
193.12265	1.4
203.05348	0.7
211.13327	0.4
225.10986	0.4
228.57005	0.4
243.08377	3.0
267.15881	0.7
269.13766	0.9
311.12479	0.5
318.54926	0.4
319.18951	0.8
349.19894	6.7
355.15533	1.0
365.50174	0.4
397.55664	0.4
405.22546	1.1
439.19675	1.5
443.18912	5.4
453.21295	1.3
469.20422	2.9
479.22906	1.1
487.21426	7.2
550.49933	0.4
567.27716	7.3
639.30835	0.7
671.50897	0.5
725.36676	0.8
769.40125	1.6
795.39801	0.6
809.92047	0.5
813.42371	100.0
814.42896	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	813.4241
Annotation	Segetalin E
Peak:m/z	Relative Intensity
57.03445	2.0
61.02925	4.5
66.66691	0.4
67.05495	4.5
67.05756	0.4
67.72609	0.4
69.03428	3.1
69.06755	0.4
69.07066	2.7
69.50603	1.4
71.04991	1.7
73.02927	3.9
78.37689	0.4
79.05499	4.9
81.03422	5.6
81.07055	4.8
83.04982	1.5
83.08624	1.5
85.02901	5.6
87.04484	0.7
91.03964	2.3
91.05485	4.6
93.07036	5.0
95.04959	2.3
95.08595	2.3
97.02906	4.1
97.06539	2.8
99.04472	1.3
101.02393	1.9
102.60422	0.4
103.03973	0.6
105.07023	3.1
107.04976	0.9
107.08603	2.0
109.02910	1.0
109.06528	0.8
109.10197	0.9
111.04447	0.5
111.08103	0.4
115.03941	0.4
117.07064	0.7
119.08616	1.8
121.10145	3.0
123.08120	0.6
127.03954	1.4
129.07030	1.4
131.08601	1.3
133.10153	1.6
135.11771	0.6
139.11191	1.0
141.53140	0.4
145.47318	0.4
147.11699	1.0
147.27342	0.5
149.09688	1.6
157.10175	1.4
175.11223	1.0
184.07440	0.7
185.04198	0.5
187.20564	0.4
193.12283	2.3
211.13263	0.5
243.08440	3.3
243.27637	0.5
267.16089	1.2
269.13666	1.5
285.17194	0.8
325.16153	0.6
349.19800	9.1
355.15488	0.5
401.06589	0.5
405.22672	1.4
439.19235	2.1
443.18884	7.2
443.24423	0.5
453.20859	1.0
458.41000	0.5
469.20370	3.6
479.22681	1.0
487.21509	8.4
490.90527	0.5
529.40234	0.6
547.40955	0.5
567.27802	8.8
685.34619	0.6
725.37213	0.4
740.80585	0.5
769.40491	1.2
795.41260	1.3
813.42371	100.0
814.42706	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	813.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.05020	0.8
61.02928	4.8
65.03975	0.3
67.05514	4.7
69.03429	2.6
69.07088	1.2
69.44197	1.3
70.06587	0.4
70.06947	0.3
70.64478	0.3
71.05019	1.4
71.08653	0.6
73.02929	2.9
75.17960	0.3
79.05486	3.7
81.03429	3.2
81.07062	4.2
83.04999	0.7
83.08644	1.3
85.02915	4.6
85.06580	0.7
87.04522	0.7
91.03957	2.7
91.05481	3.3
93.07065	3.4
95.04962	2.1
95.08619	2.0
97.02909	2.9
97.06580	1.3
97.10187	0.8
99.04507	1.3
99.08111	0.5
101.02399	1.9
105.07037	2.1
107.08597	2.2
109.02934	1.1
109.06567	0.7
109.10220	1.1
111.08118	0.8
117.06973	0.4
119.08640	1.1
121.10220	1.4
127.03996	1.2
129.05573	0.4
129.07056	0.8
131.08675	1.3
133.10196	1.3
141.56184	0.3
147.11804	1.5
149.09628	2.0
156.63716	0.4
157.10210	1.1
173.94586	0.4
175.11285	0.6
193.12306	1.9
198.33522	0.4
200.20100	0.5
203.05299	0.5
225.15028	0.5
227.39122	0.3
243.08417	3.6
253.14384	0.4
267.16098	1.0
283.15121	4.2
335.22015	2.0
339.18079	1.3
391.24786	0.9
426.16953	0.8
439.19635	1.4
441.21582	0.5
469.20605	0.8
501.23074	16.2
502.23416	0.4
547.78510	0.4
553.29871	7.0
612.31104	0.4
633.75006	0.4
641.31726	1.2
642.32208	0.9
643.32629	1.2
723.39160	2.4
813.46326	100.0
814.47101	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	814.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.6
61.02923	3.2
65.03944	0.4
69.03065	0.8
69.03428	13.2
70.06544	0.4
71.01314	0.4
71.04980	1.6
73.02923	2.9
77.03904	0.4
79.05482	1.0
81.02962	0.7
81.03414	10.3
81.07060	0.5
85.02905	34.0
86.03195	0.4
87.04472	7.3
91.03960	1.9
91.05490	2.6
94.04192	1.9
95.04977	0.7
97.02894	16.9
99.04445	2.8
100.81956	0.3
101.02445	0.6
103.03940	1.5
103.05456	1.2
105.07028	3.9
107.04955	0.9
107.08572	0.5
108.04442	0.5
109.02879	7.3
109.06519	1.8
111.04459	0.5
115.03931	23.4
115.05388	2.7
117.07007	1.4
119.04935	1.8
119.08585	1.0
121.06517	0.7
122.03644	5.0
123.04463	0.5
125.06039	0.4
127.03915	21.0
128.06261	0.8
129.07001	2.4
131.04938	2.0
132.05701	0.9
133.04964	8.2
133.06480	3.0
137.05977	100.0
138.06366	0.8
143.04970	2.9
143.05974	0.8
144.05637	0.6
145.04962	27.0
145.06348	1.1
146.03593	0.6
147.04395	2.7
147.08018	1.5
149.05968	1.4
151.03891	1.0
151.07558	1.3
153.05460	0.8
155.04892	1.1
157.05029	0.5
157.06482	1.8
159.08130	1.9
160.05206	4.6
161.05986	12.0
163.06024	3.2
163.07530	2.9
165.05479	0.5
167.07051	0.6
169.06485	0.4
171.04387	0.4
172.05209	1.1
173.05974	0.7
174.06813	0.4
175.04137	2.3
175.07542	48.2
176.07845	0.9
179.05589	0.5
179.07022	1.9
181.06854	0.7
187.07536	18.3
188.08182	0.5
189.07399	0.6
189.09152	2.6
190.07816	1.7
190.09755	1.3
191.08557	7.2
199.07561	4.1
202.07826	0.8
203.06903	0.6
203.08571	2.1
205.06720	0.5
205.08597	6.6
207.06511	7.3
207.08241	0.7
208.08774	0.6
211.07365	0.4
217.06870	0.7
217.08653	3.1
218.07315	1.5
219.08057	11.0
220.08780	1.5
231.08041	3.3
232.08717	1.2
233.09695	0.7
235.07483	0.7
235.09616	11.6
236.08234	2.1
239.07004	0.5
241.07059	1.6
246.06519	0.5
247.07640	6.2
248.08322	2.7
251.10681	20.4
252.10977	0.5
253.08611	0.7
253.12209	0.4
259.08044	10.9
260.08386	1.5
261.08990	1.0
263.10654	2.3
264.07797	1.9
265.08603	1.1
270.08945	0.7
271.09637	1.4
276.07748	1.2
276.10629	0.5
277.09134	7.5
279.10175	12.4
279.31485	0.4
280.10947	1.3
281.08099	1.1
283.09821	0.6
283.13358	0.4
291.10150	8.5
292.10770	1.9
295.13367	0.6
296.10300	1.9
308.10556	0.8
309.11060	0.8
311.12747	41.4
312.13214	0.7
313.14517	0.8
321.11301	1.1
323.12775	26.0
324.13107	0.8
325.14313	1.5
335.12659	2.0
341.13843	13.1
342.14365	0.5
347.12894	0.4
353.13901	2.2
365.13791	1.4
369.11649	1.0
377.13678	0.8
396.51465	0.4
401.13693	2.4
406.22195	0.7
408.23651	1.3
408.44052	0.4
409.24036	0.6
411.19724	0.9
419.14926	1.9
437.16028	1.2
449.16266	0.6
455.16937	0.8
473.17752	0.4
533.17719	0.9
551.19104	2.8
569.20374	1.5
587.21130	2.0
617.21930	1.8
684.55579	0.4
766.86713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52624	1.4
66.06953	1.5
69.03426	4.6
70.06591	4.1
70.59969	3.2
77.31919	1.5
81.07061	2.3
87.60690	1.9
93.52560	1.6
106.58596	1.4
109.85227	1.5
137.06000	12.6
182.11739	1.9
221.11719	5.9
236.16521	3.1
264.19699	1.9
292.19012	2.9
304.38721	1.8
311.91644	1.7
316.19064	3.7
390.22736	27.6
391.22791	2.0
408.23804	100.0
409.24136	2.9
479.58344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.363
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05020	0.7
69.04539	1.1
69.38480	0.9
70.02953	1.8
72.33024	0.2
81.04544	7.0
82.05321	8.1
82.06577	0.7
83.05607	0.5
83.06105	9.6
85.04026	0.3
86.09708	17.8
87.05573	0.7
91.05469	0.6
93.04530	6.5
93.07032	0.3
94.05312	4.2
94.06557	0.4
95.06096	6.5
96.04471	0.4
96.08106	0.5
98.02444	0.4
98.23611	0.2
99.32563	0.2
101.21538	0.2
103.05506	1.2
107.04931	0.3
107.06081	0.4
108.04456	0.3
108.05602	0.8
109.04025	0.8
109.06414	1.6
109.07642	1.7
110.07166	100.0
111.05544	0.7
111.07491	0.4
113.03491	1.2
119.06067	1.4
120.05621	1.8
120.08107	14.4
121.03989	0.8
121.07655	1.2
122.07124	1.0
123.05564	0.4
124.05080	0.4
125.03477	0.9
130.06516	0.9
131.04951	3.0
131.05916	0.5
132.04456	1.1
133.06342	2.1
134.06053	2.3
136.08702	36.0
137.08215	0.3
138.06627	2.6
138.09148	1.0
141.10257	0.5
146.05997	0.4
146.07138	0.3
148.05099	0.4
148.08698	8.5
152.08215	0.7
155.09314	0.4
155.11801	1.7
158.05989	3.0
160.03967	0.3
161.08260	0.7
162.06644	0.6
163.09767	0.6
164.04568	0.6
164.06946	0.4
164.08205	4.9
165.07716	2.1
165.11369	0.7
166.06123	16.5
174.06679	0.4
178.06145	0.3
178.08484	0.3
179.06895	0.6
179.09294	0.3
180.07695	3.9
181.10870	19.0
186.05519	1.1
189.06439	2.3
189.08046	0.5
191.09343	2.7
192.07678	30.1
193.08061	0.3
197.10379	0.5
198.12434	0.5
201.06630	0.8
202.05093	0.3
203.08151	0.4
203.27332	0.2
204.08827	0.5
205.07195	1.5
206.05598	0.5
206.10399	1.0
207.08832	0.6
208.12077	1.3
209.10338	58.9
210.10626	0.3
215.09406	0.5
219.33330	0.2
222.09219	0.5
224.06668	1.5
226.13132	0.5
227.11411	0.3
229.06105	0.3
232.11798	0.3
233.06699	2.4
233.16571	1.2
235.07187	1.1
236.07938	0.3
236.20134	0.3
237.08855	1.0
243.08826	0.4
243.14906	0.8
248.10609	0.3
250.09355	2.1
258.09933	0.3
259.13116	0.3
260.07877	0.5
260.11459	4.2
261.06247	0.4
261.08768	1.0
261.16058	0.5
262.08524	0.3
264.10098	0.6
271.14365	0.5
273.13492	0.4
277.14114	1.0
278.08752	0.4
281.12665	0.3
286.09375	5.9
287.07574	0.6
292.09729	1.0
300.14468	1.4
303.12015	3.1
304.10397	3.3
309.12378	0.3
316.09573	0.3
318.15552	0.4
321.13040	9.9
328.14078	1.0
331.10794	0.6
331.17719	0.9
333.12335	0.5
346.17783	1.6
354.15631	0.2
356.16537	0.3
371.18253	0.5
376.13089	0.5
382.21997	0.4
391.17252	0.8
393.15485	0.3
409.24100	0.4
416.19937	0.5
417.18643	1.1
421.05539	0.4
422.20648	2.1
434.21201	13.5
438.05313	0.3
462.19907	6.1
463.06870	0.3
486.17215	0.4
489.21542	0.5
500.17975	0.3
506.23843	1.0
517.20874	1.3
532.61847	0.3
534.23517	11.4
535.23956	0.3
557.21075	1.2
564.25330	0.7
581.27533	1.1
591.24792	0.3
609.26703	6.6
627.25104	0.4
642.29840	0.6
657.08392	0.3
670.29901	1.2
671.29364	0.9
699.28992	0.3
707.28314	0.5
714.33228	0.5
725.30096	0.7
740.82574	0.3
742.33087	17.0
743.33008	0.5
746.32782	1.3
774.31946	0.5
782.31830	0.9
789.36865	2.0
799.35089	0.4
800.34967	0.4
817.36212	14.2
818.36670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00297	0.1
57.07036	0.2
65.03922	0.1
67.05471	0.5
68.05003	0.3
69.03430	2.6
69.07046	0.3
69.56105	0.6
71.04959	0.6
79.05118	0.1
79.05495	0.9
80.04991	0.2
81.03394	0.5
81.07047	1.0
82.06546	0.4
83.01327	0.7
83.04955	0.2
83.07331	0.6
83.08612	0.1
84.08110	0.2
85.02867	0.4
86.06035	0.3
86.09671	0.2
91.05001	0.2
91.05470	1.4
93.05730	0.2
93.07043	0.9
94.06553	0.2
95.04971	0.7
95.08588	0.3
96.07534	0.2
96.08121	2.6
97.02853	0.3
98.06041	0.2
98.09693	0.2
98.22712	0.2
99.04459	1.0
100.11256	0.2
102.80334	0.1
103.98033	0.1
105.04478	0.2
105.07023	1.2
106.06529	0.4
107.04929	0.4
107.08620	0.7
108.08119	0.2
109.06490	0.3
109.08894	0.2
109.10115	0.2
110.07129	0.2
110.09662	0.2
111.08107	0.2
114.96797	0.1
115.03851	0.2
115.05367	0.2
117.06996	0.5
118.45591	0.1
119.04897	0.4
119.08538	0.5
120.08083	0.6
121.06457	0.6
121.10095	0.3
122.09650	0.4
123.08026	0.4
124.11176	0.2
126.09187	0.2
127.03891	1.1
128.06183	0.2
128.10683	0.2
129.05450	0.2
129.06981	0.4
131.08536	0.5
132.08035	0.2
133.06444	0.3
133.08827	0.7
133.09996	0.2
134.09628	0.4
135.06744	0.3
135.07990	0.3
135.10390	0.2
136.07591	0.2
136.08691	0.1
136.11200	1.4
137.05957	0.4
137.09604	0.3
138.09137	0.3
138.12776	7.8
139.13130	0.1
140.07079	0.3
141.05463	0.3
143.03305	0.1
143.08488	0.2
145.06454	0.6
145.10138	0.3
146.09631	0.2
147.04399	0.2
147.08018	0.4
147.10431	0.1
148.07556	0.4
148.08717	0.2
148.11134	0.2
149.06003	0.2
149.09546	0.2
150.09093	0.4
151.03918	0.3
151.07520	0.4
152.10660	0.4
153.05444	0.4
153.08865	0.1
154.12283	0.1
155.03395	1.4
155.07039	0.5
155.08508	0.2
156.09230	0.1
157.06499	0.2
157.10069	0.2
159.08084	0.6
159.11693	0.3
160.11220	0.3
161.05917	0.2
161.09578	0.3
162.09116	0.6
162.12764	0.3
164.10654	0.3
165.05469	1.0
165.09103	0.2
166.08624	0.2
166.12283	0.2
167.07106	0.6
169.10155	0.4
171.08014	0.2
173.05966	0.5
173.09554	0.3
175.03951	0.2
175.07495	0.4
175.11113	0.1
176.10728	0.2
176.14304	1.2
177.05391	0.2
177.08989	0.3
179.07004	0.5
179.13010	0.1
180.10156	0.9
183.06572	1.1
183.08015	0.2
185.09781	0.1
187.07542	0.4
187.11166	0.4
188.10701	0.2
189.09087	0.5
190.12270	0.2
191.07153	0.1
192.07974	0.2
194.08194	0.2
195.06528	0.4
197.09563	0.3
200.10675	0.1
201.09125	0.3
204.06589	0.2
204.10246	0.2
204.13855	1.1
205.08624	0.5
205.10951	0.5
205.14520	0.3
206.11752	0.3
206.15414	0.6
207.06535	0.6
207.10165	0.6
213.09216	0.2
215.10680	0.5
217.08604	0.3
218.11731	1.1
219.10193	0.2
221.08060	0.6
225.09097	0.4
229.08549	0.1
229.12227	0.3
232.17053	0.2
233.08026	0.6
233.11647	0.4
234.18462	0.4
243.10213	0.2
247.09601	0.3
260.16492	0.3
261.11298	0.2
262.18118	0.2
263.09109	0.7
273.11197	1.0
275.12759	5.4
285.11304	0.2
341.17599	0.3
342.17014	0.2
345.19366	0.3
354.13412	0.2
358.19882	0.1
360.21722	0.6
370.20291	0.4
384.18039	0.2
386.18842	0.2
388.21155	100.0
389.21530	4.3
397.14890	0.2
402.19241	0.2
412.17606	0.6
428.16656	0.3
429.17288	0.4
430.18585	31.3
431.18976	1.5
817.35706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07042	0.2
66.58281	0.1
67.05479	0.4
69.03407	0.4
69.07044	0.4
69.95768	0.4
70.06567	0.2
71.04972	0.2
71.08602	0.2
79.05482	0.3
81.07027	0.4
82.06555	0.2
82.19542	0.1
83.06902	0.1
83.07355	1.8
84.04488	0.1
85.06520	0.2
86.06055	0.5
87.04431	0.2
93.07010	0.5
94.06508	0.1
95.04951	0.3
95.08572	0.5
96.08149	0.8
97.06491	0.3
98.06047	0.1
98.09653	0.2
99.04375	0.2
105.07009	0.3
107.08587	0.2
108.08079	0.2
109.06499	0.2
109.10087	0.2
110.09676	0.1
111.08048	0.5
115.07549	0.1
116.38187	0.1
119.08545	0.6
121.06507	0.2
122.09624	0.2
123.08010	0.4
124.11172	0.4
125.12004	0.2
126.12760	0.5
127.06264	0.2
131.08524	0.2
133.06477	0.3
133.10092	0.2
135.08003	0.3
135.11679	0.2
136.11171	0.3
137.09583	0.6
138.12755	1.1
145.10059	0.2
147.08057	0.7
147.11710	0.1
148.07487	0.2
149.09572	0.3
151.11169	0.2
152.10670	0.2
154.08484	0.1
154.12250	0.6
159.08000	0.2
161.09583	0.2
162.12698	0.3
163.09830	0.1
163.11127	0.2
164.14265	0.4
165.12706	0.2
170.11742	1.3
171.11685	0.2
173.09663	0.3
173.13284	0.2
175.11249	0.2
179.14311	0.2
180.13785	0.2
187.14926	0.2
189.12698	0.2
190.12221	0.1
192.13788	0.2
194.11731	0.3
203.14412	0.3
204.17461	0.2
205.15891	1.9
206.15398	0.3
207.13829	0.2
208.13284	0.5
215.14276	0.4
232.16962	0.6
233.15335	1.4
235.16931	0.3
236.12650	0.2
246.18497	0.2
250.18007	0.7
260.20166	0.2
284.20337	0.1
292.19061	5.5
292.22290	0.2
294.20624	3.5
302.21164	0.4
303.19424	0.3
310.20111	7.0
311.20349	0.2
312.12384	0.1
320.22150	1.0
322.20074	1.5
336.21732	1.6
338.23230	13.1
339.23575	0.5
364.21158	23.5
365.21396	0.4
382.22211	100.0
383.22549	2.3
436.19498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07042	0.2
66.58281	0.1
67.05479	0.4
69.03407	0.4
69.07044	0.4
69.95768	0.4
70.06567	0.2
71.04972	0.2
71.08602	0.2
79.05482	0.3
81.07027	0.4
82.06555	0.2
82.19542	0.1
83.06902	0.1
83.07355	1.8
84.04488	0.1
85.06520	0.2
86.06055	0.5
87.04431	0.2
93.07010	0.5
94.06508	0.1
95.04951	0.3
95.08572	0.5
96.08149	0.8
97.06491	0.3
98.06047	0.1
98.09653	0.2
99.04375	0.2
105.07009	0.3
107.08587	0.2
108.08079	0.2
109.06499	0.2
109.10087	0.2
110.09676	0.1
111.08048	0.5
115.07549	0.1
116.38187	0.1
119.08545	0.6
121.06507	0.2
122.09624	0.2
123.08010	0.4
124.11172	0.4
125.12004	0.2
126.12760	0.5
127.06264	0.2
131.08524	0.2
133.06477	0.3
133.10092	0.2
135.08003	0.3
135.11679	0.2
136.11171	0.3
137.09583	0.6
138.12755	1.1
145.10059	0.2
147.08057	0.7
147.11710	0.1
148.07487	0.2
149.09572	0.3
151.11169	0.2
152.10670	0.2
154.08484	0.1
154.12250	0.6
159.08000	0.2
161.09583	0.2
162.12698	0.3
163.09830	0.1
163.11127	0.2
164.14265	0.4
165.12706	0.2
170.11742	1.3
171.11685	0.2
173.09663	0.3
173.13284	0.2
175.11249	0.2
179.14311	0.2
180.13785	0.2
187.14926	0.2
189.12698	0.2
190.12221	0.1
192.13788	0.2
194.11731	0.3
203.14412	0.3
204.17461	0.2
205.15891	1.9
206.15398	0.3
207.13829	0.2
208.13284	0.5
215.14276	0.4
232.16962	0.6
233.15335	1.4
235.16931	0.3
236.12650	0.2
246.18497	0.2
250.18007	0.7
260.20166	0.2
284.20337	0.1
292.19061	5.5
292.22290	0.2
294.20624	3.5
302.21164	0.4
303.19424	0.3
310.20111	7.0
311.20349	0.2
312.12384	0.1
320.22150	1.0
322.20074	1.5
336.21732	1.6
338.23230	13.1
339.23575	0.5
364.21158	23.5
365.21396	0.4
382.22211	100.0
383.22549	2.3
436.19498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	20.9
57.07078	55.5
61.02927	6.3
67.05499	50.2
68.31414	5.3
69.03426	15.9
69.07071	48.2
71.05000	16.4
71.08636	45.0
73.02962	4.7
79.05503	42.5
81.03428	14.5
81.07062	55.3
81.07501	5.5
83.04987	8.3
83.08624	16.5
85.02927	8.9
85.06564	6.2
85.10183	32.8
87.04474	10.1
89.05521	7.7
89.06031	65.3
91.05489	32.4
93.07049	34.7
95.04990	16.2
95.08606	51.6
97.02888	12.7
97.06531	90.5
97.10198	8.3
98.23483	13.7
100.47681	3.9
105.07031	21.4
107.04959	9.2
107.08605	20.4
109.02885	4.4
109.06523	18.6
109.10176	15.5
111.08103	5.6
115.07584	31.6
117.07022	17.2
117.09195	4.6
119.08590	18.6
121.06561	5.4
121.10150	13.5
123.08076	8.4
127.03948	6.2
129.07069	7.8
131.08589	18.4
133.08595	33.0
133.10127	23.3
135.08092	11.8
135.11670	9.0
143.08601	9.5
145.10178	10.5
147.11772	4.5
149.09711	4.9
149.13330	6.9
151.11171	6.2
159.11722	8.8
161.09644	11.6
171.11707	5.4
173.04459	6.6
173.13138	5.4
177.11218	8.0
199.14787	5.5
217.15881	16.9
233.15384	5.8
242.91095	4.5
253.14484	7.3
269.17538	19.4
273.18466	40.7
291.19568	19.3
307.18832	7.5
313.27359	100.0
347.22147	19.8
365.23001	11.0
431.97983	4.7
507.40512	21.9
545.41858	7.7
549.13995	5.0
585.44824	10.5
603.46063	24.7
621.46838	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	819.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.3
60.04527	0.2
65.03922	0.3
67.01878	0.2
67.05512	1.7
68.05029	0.5
69.03062	0.4
69.03431	6.6
69.07039	0.2
69.32899	0.8
71.04984	0.5
79.05497	1.0
79.95773	0.2
80.05016	3.7
81.07050	0.6
82.06586	0.6
83.01334	0.8
83.04964	0.2
83.07356	0.3
84.08106	0.3
90.88524	0.2
91.05484	1.0
93.05815	0.2
93.07064	0.9
94.06570	2.7
95.04957	0.5
95.07343	0.5
95.08594	0.3
96.08128	0.5
97.06543	0.2
98.22734	0.4
99.03887	0.2
99.04427	0.9
105.07020	1.3
106.06524	0.9
107.04945	0.8
107.07344	0.3
107.08601	0.4
108.08145	0.9
108.56854	0.2
109.06532	0.4
110.09674	1.0
112.07587	0.3
115.05441	0.3
117.07025	0.8
118.06532	0.8
119.04926	0.5
119.07341	0.2
119.08541	0.4
120.08112	0.4
121.06512	0.6
122.09665	7.1
123.08048	0.5
123.10452	0.3
124.07542	0.2
124.11240	0.4
125.05995	0.7
127.03883	1.0
128.06169	0.2
128.10703	0.4
129.06984	0.5
130.07841	0.3
131.08572	0.4
132.08131	0.5
133.06514	0.5
133.10101	0.3
134.09651	1.7
135.04526	0.2
135.08058	0.3
136.07619	0.3
136.11237	1.1
137.05971	0.8
138.09129	0.6
138.12823	0.3
139.07524	0.3
140.10704	0.3
141.05478	0.4
141.06976	0.2
142.08693	0.3
143.08554	0.6
145.06477	0.4
145.10118	0.5
146.09651	0.6
147.08051	0.3
148.07585	0.7
148.11264	0.2
149.05980	0.5
150.09140	6.8
151.03897	0.3
151.07529	0.3
152.10692	0.4
153.05440	0.4
154.12312	1.0
155.03372	0.9
155.07019	0.8
155.08539	0.2
157.10139	0.4
158.07251	0.2
158.09610	0.2
159.08044	0.4
160.11255	0.3
161.05917	0.2
161.08385	0.2
161.09612	0.5
162.09146	0.3
162.12793	0.3
163.07561	0.4
163.11295	0.4
164.10699	0.3
165.05522	1.4
165.06726	0.2
165.09151	0.5
167.07089	0.9
168.10197	5.2
169.10004	0.2
170.07240	0.2
171.08052	0.6
172.11215	0.3
173.05997	0.3
173.09616	0.7
174.10536	0.2
174.12791	0.8
175.07454	0.3
175.13568	0.2
176.14360	0.3
177.09088	0.3
179.07016	0.5
180.10194	0.5
181.08588	0.9
182.11783	1.3
183.06531	0.8
183.08037	0.4
185.09624	0.3
186.12897	0.2
187.07478	0.2
187.11171	0.3
188.10645	0.3
188.14307	0.2
189.09122	0.5
190.12442	0.2
191.07118	0.3
195.06572	0.4
198.03955	0.2
200.10675	0.3
201.09163	0.4
202.12300	0.4
203.10645	0.5
204.13835	0.3
205.08636	0.3
206.11774	0.2
207.06538	0.8
208.13312	2.6
213.09109	0.2
214.12355	0.2
215.06934	0.2
216.13879	0.2
217.08626	0.5
219.06496	0.3
219.59325	0.2
220.13284	0.5
229.12184	0.2
231.10237	0.3
232.17021	0.2
233.08195	0.2
234.11281	0.2
235.09795	0.2
243.67151	0.2
245.08060	0.3
245.11760	0.2
247.09749	1.2
249.11224	4.5
258.14886	0.3
259.09711	0.4
260.16614	0.4
261.11227	1.5
263.09128	0.8
273.11169	1.8
275.12680	0.3
284.12833	1.2
290.14111	0.2
290.17590	0.3
300.12384	0.4
302.13855	0.9
302.17166	0.3
316.15460	0.3
318.17093	0.3
328.15454	0.6
330.17017	0.5
340.15411	0.2
342.16858	0.6
345.16821	0.2
358.16507	2.3
370.19946	0.2
386.19806	0.5
398.19705	0.2
401.18182	0.7
404.20667	80.6
405.20926	2.0
416.20663	100.0
417.21033	3.0
577.90900	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	819.406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32591	0.1
64.69941	0.1
65.03931	0.3
66.42902	0.1
67.05504	1.3
68.05020	0.4
68.16798	0.1
69.03429	6.5
69.07067	0.2
69.23262	0.7
70.06589	0.1
71.04995	0.2
79.05485	0.6
80.05016	3.8
81.03427	0.2
81.07056	0.5
82.06589	0.4
83.01339	0.5
83.05021	0.2
83.07353	0.3
84.08144	0.3
86.06046	0.1
91.05482	0.9
93.07032	0.8
94.06565	2.8
95.04973	0.4
95.07357	0.4
95.08594	0.2
96.08135	0.7
97.06519	0.2
98.22669	0.2
99.04445	0.5
99.05067	0.1
105.04546	0.1
105.07024	0.9
106.06541	0.4
106.64226	0.1
107.04965	0.5
107.08595	0.2
108.08121	0.7
109.06520	0.5
109.08875	0.1
110.09657	0.8
111.08073	0.1
112.07603	0.3
112.11268	0.1
113.56525	0.1
115.05505	0.2
117.07024	0.4
118.06535	0.5
119.04942	0.2
119.08569	0.4
120.08122	0.5
121.06498	0.5
121.08903	0.2
122.09665	7.1
123.04440	0.2
123.08102	0.2
123.10423	0.4
124.07605	0.2
124.11250	0.3
125.06006	0.6
127.03918	0.7
128.06239	0.4
129.06999	0.4
131.08600	0.5
132.08075	0.4
133.06511	0.3
133.08879	0.3
133.10112	0.2
134.09650	1.6
135.04431	0.2
135.08047	0.5
135.10458	0.3
136.07565	0.2
136.11191	0.7
137.05949	0.3
138.09119	0.5
138.12782	0.4
139.07526	0.3
141.05484	0.3
142.08673	0.2
143.08565	0.4
144.08098	0.1
145.06511	0.3
145.10114	0.4
146.09618	0.7
147.08000	0.1
148.07549	0.7
148.11336	0.2
149.05952	0.4
150.09145	7.2
151.03912	0.2
151.07552	0.6
151.09660	0.1
152.10741	0.4
153.05481	0.2
154.12248	0.6
154.80011	0.1
155.03374	0.5
155.07011	0.5
157.06467	0.2
158.09602	0.2
159.07909	0.2
160.11240	0.5
161.05945	0.3
161.09619	0.4
162.09184	0.4
162.12794	0.4
163.07565	0.4
163.11169	0.1
164.10690	0.3
165.05508	0.7
165.06747	0.2
165.09109	0.2
167.07036	0.7
168.08769	0.3
168.10191	4.7
168.11600	0.3
169.05104	0.1
171.08092	0.6
172.11258	0.3
173.09625	0.3
174.12726	0.2
175.07593	0.2
176.14340	0.2
179.07062	0.4
179.10625	0.2
180.10182	0.5
181.08556	1.1
182.11746	1.2
183.06595	0.7
183.07991	0.2
185.09637	0.3
186.12799	0.2
187.07619	0.2
188.10629	0.2
189.09143	0.3
190.12292	0.2
191.07034	0.3
192.13797	0.2
193.08614	0.3
195.06563	0.1
199.07559	0.3
200.10732	0.4
201.09145	0.2
203.10641	0.2
204.13884	0.3
205.08598	0.3
206.11714	0.3
207.06508	0.4
207.10197	0.2
208.13318	2.7
213.09125	0.2
216.13850	0.2
217.08559	0.2
218.11740	0.2
219.10225	0.2
220.13277	0.3
221.11969	0.1
230.15436	0.2
231.10153	0.4
233.08141	0.2
233.14114	0.2
234.14928	0.4
238.12230	0.1
240.13786	0.2
242.15439	0.4
244.13237	0.1
245.11751	0.1
246.14941	0.2
247.09625	1.3
249.11223	4.7
259.09647	0.2
260.16492	0.3
261.11435	0.6
262.17920	0.2
263.09171	0.2
266.12006	0.1
273.11252	1.1
274.14240	0.1
275.12668	0.2
284.12836	1.0
286.14136	0.2
288.15884	0.1
290.17609	0.2
291.12271	0.1
299.12936	0.2
300.12402	0.2
302.13852	0.8
302.17114	0.3
314.13931	0.2
314.17276	0.2
316.15451	0.3
318.17188	0.1
328.15329	0.6
330.17010	0.5
340.15445	0.3
342.17084	0.4
344.14926	0.1
358.16464	3.2
373.18536	0.2
386.19751	0.3
388.21054	0.2
398.19611	0.4
401.18335	1.1
404.20657	42.9
405.21124	1.3
413.64993	0.1
414.19162	0.1
416.20648	100.0
417.20959	2.8
465.21011	0.2
819.40295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.1
59.04992	0.1
65.03923	0.1
66.24995	0.1
67.01877	0.1
67.05511	0.3
68.05029	0.1
69.03433	2.1
69.07059	0.4
70.06577	0.2
71.04995	0.3
79.05498	1.1
80.05020	0.4
81.03418	0.2
81.07057	0.8
82.06576	0.3
83.01331	0.7
83.04985	0.2
83.07362	0.3
84.08149	0.2
85.02876	0.1
85.79939	0.1
86.06047	0.2
86.09737	0.2
91.05486	1.7
93.03412	0.2
93.07036	0.9
94.06564	0.2
95.04969	0.6
95.08617	0.3
96.08131	1.5
98.06066	0.4
98.09693	0.5
98.22604	0.2
99.04461	0.6
100.11256	0.4
103.05455	0.1
105.07025	1.0
106.06575	0.8
107.04962	0.7
107.07378	0.2
107.08587	0.6
108.08099	0.2
109.06516	0.3
109.08909	0.2
109.10160	0.2
110.09641	0.1
111.04453	0.1
111.08081	0.2
112.11265	0.1
115.03928	0.1
115.05476	0.2
117.07059	0.6
119.04964	0.2
119.07337	0.1
119.08566	0.5
120.08115	0.3
121.06504	0.5
122.09666	0.2
123.04382	0.1
123.08078	0.2
124.11248	0.2
125.05988	0.2
126.09190	0.2
126.12777	0.3
127.03925	0.9
128.06233	0.2
129.07013	0.5
130.07782	0.1
131.04932	0.2
131.08594	0.6
132.08083	0.1
132.33031	0.1
133.06482	0.5
133.10138	0.2
134.09651	0.4
135.04446	0.1
135.08098	0.3
136.11212	1.0
137.05983	0.2
137.09636	0.1
138.12775	3.4
139.03923	0.2
139.07530	0.1
140.07129	0.1
140.10730	0.2
141.05489	0.3
141.07002	0.3
142.07764	0.3
142.12233	0.1
143.08583	0.4
145.06511	0.7
145.10164	0.2
146.07259	0.1
147.08041	0.4
148.07594	0.2
148.11201	0.2
149.02322	0.1
149.05978	0.3
150.09160	0.2
151.04033	0.1
151.07553	0.4
152.10707	0.2
153.01863	0.1
153.05434	0.5
153.06850	0.2
154.07733	0.2
154.12280	0.4
155.03378	0.7
155.07050	0.6
155.08475	0.2
156.09367	0.2
157.06526	0.2
157.10121	0.5
159.08072	0.6
159.11699	0.2
161.05984	0.2
161.09656	0.3
162.09177	0.3
162.11574	0.1
162.12814	0.4
163.07521	0.3
163.11195	0.1
164.10713	0.6
165.05490	0.7
165.06767	0.1
165.09094	0.2
166.06099	0.1
166.12288	0.1
167.07059	0.6
167.08574	0.5
169.10117	0.4
171.08047	0.3
171.11783	0.1
172.04050	0.1
172.08832	0.1
172.11183	0.1
173.06003	0.4
173.09656	0.3
175.07547	0.8
175.11206	0.2
176.14342	1.1
177.05476	0.1
177.09100	0.3
178.12364	0.2
178.16054	0.2
179.07048	0.4
179.08499	0.2
179.10677	0.2
182.11856	0.1
183.06570	0.6
184.08916	0.1
185.09628	0.6
186.10413	0.3
187.07559	0.4
187.11182	0.6
188.14380	0.1
189.09122	0.2
190.12239	0.2
191.07022	0.2
191.10637	0.2
195.06535	0.3
195.08099	0.2
197.09619	0.3
198.06761	0.2
199.07607	0.3
201.09071	0.4
201.12756	0.2
202.09866	0.1
202.15918	0.1
203.10794	0.2
204.13814	0.8
204.17403	0.2
205.08597	0.7
205.14627	0.2
206.15402	0.3
207.06540	0.2
207.10139	0.2
209.08049	0.2
211.07539	0.1
212.08374	0.2
213.09174	0.6
214.06406	0.1
214.09880	0.1
215.06938	0.2
215.10654	0.5
217.08730	0.1
217.12273	0.2
219.06601	0.1
219.10124	0.2
221.08145	0.2
223.07512	0.2
225.09093	0.2
227.10730	0.2
229.08560	0.3
229.12279	0.2
230.09412	0.2
231.10106	0.3
232.16959	0.3
233.08101	0.6
234.18567	0.3
235.09712	0.3
241.08586	0.3
243.10220	0.1
245.11757	0.4
246.11311	0.1
247.09653	1.5
247.13339	0.2
249.11163	0.4
257.08133	0.2
257.11798	0.2
258.08942	0.2
260.16501	0.3
261.11163	0.3
262.18024	0.2
263.09164	0.4
273.11206	5.4
274.11053	0.1
275.12769	5.1
276.15930	0.3
285.11313	0.2
287.05505	3.5
288.05960	0.2
289.13110	0.4
304.15598	0.3
345.19241	0.1
360.21686	2.3
370.01849	0.1
370.20139	0.4
373.18832	0.1
388.21170	100.0
389.21506	3.0
414.19156	0.5
432.20129	2.2
449.10815	0.1
516.26050	0.2
819.40436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.5
58.20955	0.6
61.02921	0.7
61.81510	0.5
62.40854	0.6
67.73615	0.6
69.03430	7.5
69.40800	2.7
70.06586	2.1
73.02921	4.5
75.31942	0.7
81.03424	5.9
85.02908	8.2
86.09715	1.2
87.04456	3.5
91.05470	0.7
97.02891	4.8
97.06532	1.2
99.04459	1.6
102.36729	0.6
102.64366	0.6
103.03938	5.1
109.02877	4.1
110.77170	0.6
112.66385	0.6
115.03943	5.8
118.06590	1.5
127.03918	6.5
129.05501	0.9
130.06514	4.3
132.04443	0.7
137.06009	0.8
145.04979	2.0
146.06012	100.0
147.06363	1.1
148.07520	0.7
154.04144	0.6
157.04979	2.0
158.06023	0.7
159.06851	0.8
160.07574	19.6
162.12840	0.7
163.04016	0.6
170.06017	4.5
173.02316	1.2
174.05519	2.8
176.07072	1.2
181.06142	0.7
184.07562	3.4
186.05533	4.8
187.03949	0.9
187.06035	1.0
188.05345	1.4
188.07074	31.1
192.06563	37.2
196.07549	1.2
198.09181	1.8
199.06090	1.4
200.07002	1.2
202.08626	0.7
204.06570	1.6
204.13846	4.2
208.07593	1.7
212.07085	4.3
214.08542	0.6
215.07007	1.1
216.06563	2.1
217.07124	2.3
222.09187	0.9
226.08633	2.8
228.06601	1.2
230.08192	2.1
234.07611	31.9
236.07121	2.3
238.08386	0.8
240.06674	1.1
241.07245	1.4
242.08192	0.8
244.06073	1.0
254.08128	7.6
258.07544	6.7
259.07898	3.4
260.16537	1.0
272.09192	1.5
276.08679	3.1
282.07611	5.4
296.09409	1.5
300.08722	7.2
301.09476	0.7
316.15479	2.2
317.15698	1.5
318.09790	0.8
319.10080	1.4
324.08786	3.4
336.10837	3.6
342.09790	1.7
349.44833	0.7
360.10986	0.7
361.11343	2.3
364.10254	1.9
388.21210	6.1
403.12241	0.9
404.13507	1.1
410.10834	3.6
419.11249	5.8
422.14468	0.8
432.19791	4.9
433.20023	3.0
434.21667	2.1
437.12140	0.9
512.15515	1.2
530.16193	1.4
540.14954	2.8
558.16064	3.9
576.17041	6.6
594.18164	12.0
612.19135	6.7
619.89404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.6
59.05016	1.7
65.03941	2.0
67.05505	27.0
69.03416	5.5
69.07070	8.7
70.03054	2.9
70.03378	1.3
70.38632	1.3
71.01332	1.3
71.04988	4.0
79.05048	1.7
79.05495	30.4
81.03419	81.4
81.07059	33.3
83.01344	5.8
83.04980	17.1
83.08624	27.6
85.02897	5.6
85.06545	3.5
86.22543	1.2
91.04943	1.9
91.05482	27.9
93.07047	29.0
95.04975	30.6
95.08602	12.6
97.02882	6.6
97.06529	10.0
97.10172	11.2
99.04436	2.6
99.08091	2.6
104.27730	1.1
105.04509	1.7
105.07025	22.4
107.04946	12.8
107.08589	18.4
109.02845	1.5
109.06535	9.2
109.10159	8.4
111.04455	9.4
111.08102	13.8
115.05452	1.9
117.07040	10.6
119.04944	1.7
119.08583	26.3
120.07981	1.3
121.06505	6.8
121.10144	14.9
123.08069	10.6
125.05980	3.1
125.09638	10.1
128.06195	1.6
129.07030	9.7
131.04898	1.9
131.08546	14.9
133.06496	5.2
133.10159	8.6
135.08051	7.1
135.11693	11.4
137.09621	5.6
139.07524	1.7
142.07791	2.8
143.08562	2.9
145.06488	3.4
145.10126	17.2
147.08054	8.8
147.11703	7.5
149.02327	2.5
149.03595	1.2
149.09596	8.3
151.11159	2.2
153.09122	2.1
153.12735	4.8
155.08549	1.9
157.10124	13.9
159.08018	4.2
161.06020	2.8
161.09630	2.2
163.07570	1.9
163.11197	25.8
165.12833	2.2
173.09557	6.3
175.11165	9.3
181.10818	1.2
181.12257	5.4
188.79118	1.2
189.11244	3.7
189.15077	1.2
191.10660	3.5
193.12239	24.5
204.13797	4.1
205.08623	4.7
209.11736	8.3
211.11455	1.3
211.13292	5.0
227.12750	11.4
249.14735	1.4
260.16440	2.0
261.18503	1.5
263.16327	1.6
267.15921	100.0
268.16226	2.4
271.16876	4.9
273.18488	2.2
283.15402	18.4
285.17105	2.4
289.14673	2.6
289.17896	12.3
299.14835	2.8
305.11221	2.8
307.19144	8.7
311.19958	1.6
345.20425	2.5
347.21906	1.6
363.21552	4.8
365.21176	2.1
381.22702	38.6
383.22205	5.8
388.21115	5.1
401.23221	1.7
437.65533	1.3
457.25894	10.8
475.26947	96.3
476.27213	3.7
477.29025	1.8
493.27802	7.5
509.27280	3.5
529.31494	1.8
537.32056	2.7
555.33228	24.0
573.34235	83.1
574.33978	2.6
648.93115	1.5
655.58496	1.3
820.39966	5.9
821.41406	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	821.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05868	0.3
67.05492	0.7
69.03408	1.2
69.10617	1.2
69.11037	0.7
79.05483	0.8
80.05010	0.3
81.03407	1.2
81.07027	0.6
82.06560	0.7
84.04489	0.3
85.02898	1.2
85.06551	0.3
89.03934	0.6
91.05484	0.9
93.07034	0.9
94.06562	1.4
95.04952	0.6
95.07327	1.0
96.04491	0.4
96.08131	2.3
97.02876	0.4
97.06529	0.9
99.01362	0.3
105.07038	0.5
107.08575	0.3
108.04510	0.4
108.08121	2.0
109.02892	0.5
110.09679	2.8
116.04925	1.8
120.08102	3.0
121.06475	0.4
122.06025	4.1
124.07601	2.6
129.06995	0.4
130.04915	0.4
131.08534	0.5
132.04407	0.3
132.08070	0.3
134.06018	0.8
135.06805	0.4
136.07564	5.5
137.05986	0.4
138.09140	4.7
142.07756	0.3
144.04431	4.0
145.05164	0.4
146.06013	1.5
146.09647	0.3
147.07664	0.6
148.07533	1.6
150.05539	1.6
150.09090	0.5
152.07054	0.4
155.07204	0.5
155.08470	0.6
157.10110	0.4
158.05978	0.5
158.09650	0.4
160.03935	0.9
160.07536	0.4
161.07126	0.7
162.05499	2.3
163.03830	0.4
164.07010	0.6
166.08632	6.7
167.07086	0.4
169.08873	0.4
170.09650	2.5
172.03935	29.0
172.09900	0.4
172.11223	0.8
173.02377	0.8
173.04347	0.4
174.05496	0.9
174.09050	0.6
175.08644	1.0
175.14804	0.4
181.04942	0.4
183.06828	0.5
184.11218	0.4
186.09142	0.4
187.08774	0.3
187.12308	2.8
188.07079	0.3
188.10735	0.3
190.04970	4.4
194.08035	0.5
197.10799	0.8
198.09138	18.3
200.09177	1.9
200.10806	0.9
201.13922	0.4
204.06561	45.2
204.13814	0.7
205.06876	0.7
206.07965	0.3
208.07521	0.3
212.10808	3.3
214.10902	0.3
215.11795	16.6
216.12228	0.3
225.10202	1.2
226.08662	5.4
227.08257	0.7
227.11662	1.6
228.08774	0.5
229.09659	0.8
229.13339	1.2
231.11227	0.9
239.11783	0.8
240.10361	2.8
241.09695	1.6
241.13301	1.5
242.10588	1.3
243.11282	83.7
244.11646	2.2
247.09512	0.5
253.09651	0.6
255.11275	6.1
256.11948	0.7
257.12848	4.9
265.09818	0.4
267.11331	0.8
267.15793	0.4
268.09683	0.3
269.09186	1.0
269.12741	0.3
273.12228	0.4
279.11319	0.9
281.09341	0.5
281.12460	0.4
283.10596	0.5
284.11530	0.5
285.12332	77.9
286.12714	1.9
297.12289	1.3
298.13135	0.5
301.11813	6.2
302.12503	0.4
303.13382	100.0
304.13782	2.6
307.10693	0.9
311.10126	0.3
313.11584	0.4
315.09753	0.6
318.16943	0.6
321.08710	0.4
325.11908	4.1
327.13376	0.4
329.14944	0.7
339.13437	0.6
343.12860	0.6
344.18079	0.4
357.14450	10.9
358.15356	1.5
359.16183	1.6
370.15594	0.4
373.13925	0.3
381.10913	0.4
386.14682	0.4
388.21234	3.7
389.21597	0.5
391.11893	0.6
392.12134	0.7
400.16537	0.3
418.17807	0.4
419.10886	0.7
420.11523	0.8
428.16284	0.8
430.17917	0.6
434.21805	1.8
446.17905	0.4
462.16428	2.3
474.16528	1.8
476.17941	0.5
487.17139	1.1
494.19214	2.9
506.19183	1.2
519.19849	0.6
524.20074	0.9
583.25519	5.4
599.25159	2.7
609.23346	1.2
627.24481	19.8
628.24689	1.2
641.25964	0.8
659.27094	2.8
821.27625	0.3
821.42377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77672	0.2
67.05508	0.6
69.03421	1.1
79.05473	0.7
80.05032	0.4
81.03400	0.8
81.05790	0.3
81.07041	0.4
82.06563	0.3
84.04498	0.4
85.02882	1.3
85.56240	0.2
89.03915	0.7
91.05481	0.8
93.05792	0.3
93.07025	0.9
94.06580	1.7
95.04964	0.5
95.07343	1.0
96.04487	0.3
96.08122	2.8
97.02876	0.5
97.06512	0.6
106.06525	0.5
107.07360	0.3
108.04492	0.6
108.08123	3.0
110.09678	4.0
116.04966	2.1
118.06530	0.3
120.04408	0.6
120.08099	3.5
120.08897	0.4
122.06034	4.3
122.09631	0.3
124.07585	3.9
129.06999	0.3
130.04993	0.5
130.06499	0.2
132.08040	0.3
133.05234	0.3
134.05992	0.7
136.07576	6.9
137.08337	0.4
138.09148	5.3
144.04440	5.8
144.08099	0.4
146.06027	2.3
147.07657	0.6
148.07593	1.4
150.05476	1.4
150.09146	0.6
151.10025	0.2
152.07066	1.1
154.06477	0.2
155.07330	0.4
155.08615	0.4
157.08875	0.3
157.10081	0.2
158.09685	0.4
160.03932	1.4
160.07481	0.5
160.11192	0.3
162.05490	2.6
164.07039	0.3
166.08646	9.2
166.50957	0.2
170.09648	2.4
172.03934	31.2
172.07538	0.8
172.09915	0.5
172.11238	1.0
173.04327	1.0
173.07095	0.4
174.05545	1.1
174.09135	0.4
175.08669	0.8
180.06595	0.2
180.08147	0.4
182.09818	0.4
183.06728	0.5
184.07533	0.4
184.11206	0.6
185.06827	0.3
186.05354	0.3
186.09175	0.6
187.12321	2.9
188.10683	0.3
189.10152	0.3
190.04985	6.5
197.08331	0.4
198.09143	19.3
199.08574	0.5
199.12294	0.3
200.09358	1.1
200.10992	1.3
201.13820	0.3
204.06560	42.5
205.06927	1.0
206.08162	0.4
210.09132	0.6
211.12492	0.3
212.10805	3.6
213.10295	0.8
215.11797	17.7
216.10089	0.4
216.12077	0.3
222.11488	0.4
222.25786	0.3
223.12193	0.3
225.10136	0.8
226.08633	5.7
226.10870	0.4
227.08199	0.8
227.11729	2.3
228.08836	0.7
229.09726	0.6
229.13353	1.0
230.10349	0.3
231.11211	0.8
236.09383	0.5
237.10251	0.6
239.11938	0.7
240.10403	2.2
241.09641	1.7
241.13330	1.3
242.10471	1.5
243.11279	87.7
244.11632	2.2
251.11835	0.7
253.09740	0.5
255.11290	8.5
256.12054	0.7
257.12839	4.3
265.09818	0.3
267.11255	0.7
269.09238	0.7
269.12927	0.4
273.12524	0.3
279.11295	1.4
283.10791	1.0
284.11594	0.6
285.12329	76.0
286.12659	2.0
297.12234	1.8
298.13116	0.5
301.11823	8.1
302.12378	0.7
303.13382	100.0
304.13696	3.8
307.10843	0.8
313.11932	0.5
315.09790	0.5
325.11786	6.4
327.13474	0.4
329.14926	0.7
335.46536	0.2
339.13458	0.5
341.15103	0.4
343.12854	0.4
357.14465	10.0
358.15131	1.7
359.16068	1.5
371.12292	0.3
372.16602	0.3
400.16418	0.6
416.15979	0.3
418.17413	1.2
428.15939	0.4
430.17468	0.7
446.16882	0.3
456.15845	0.4
462.16611	2.2
463.17041	0.3
470.17047	1.3
471.17410	0.3
474.16620	2.6
476.18243	3.4
487.17395	2.1
488.17700	0.4
494.19199	1.8
506.19485	0.5
519.20105	0.5
536.20160	0.8
581.23969	0.3
583.25519	4.2
584.26062	0.3
591.21747	0.4
599.24969	1.5
609.23187	1.0
613.26270	0.3
623.25031	0.6
627.24481	13.8
628.24780	0.7
641.26050	10.8
642.25848	1.0
659.26788	1.9
803.30743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31794	0.3
59.97459	0.3
61.00760	0.4
62.18343	0.3
65.03943	0.5
67.05495	0.9
69.03410	1.3
69.07053	0.4
71.06263	0.4
72.62939	0.4
79.05482	1.0
80.05026	0.4
81.03406	1.4
81.07063	0.6
82.06564	0.3
82.48672	0.3
85.02888	1.1
85.03358	0.3
85.33917	0.3
89.03899	0.5
91.05463	0.9
93.07033	1.4
94.06580	1.8
95.04974	1.1
95.07319	0.6
95.08632	0.5
96.08129	3.1
97.02889	0.6
97.06520	1.1
103.05489	0.7
106.06565	0.5
107.04956	0.5
107.07337	0.7
108.04473	0.8
108.08116	3.3
110.09679	3.5
116.04975	1.9
118.06524	0.4
120.04433	1.1
120.08093	3.4
122.06032	4.7
122.09666	0.8
124.07582	2.3
127.03907	0.6
129.07005	0.6
134.06017	0.8
135.06723	0.4
136.07581	6.5
137.08377	0.5
138.09138	5.7
144.04440	5.6
145.02834	1.2
146.06064	2.2
148.07567	1.0
150.05489	1.2
150.09088	0.9
152.07094	0.6
158.05969	0.4
160.03944	1.5
160.07515	0.7
162.05501	3.0
162.12814	0.5
164.06926	0.3
166.08630	9.0
167.07050	0.6
170.09628	2.4
172.03931	36.4
172.07431	1.0
172.09917	0.5
172.11255	1.0
173.04355	0.8
173.07111	0.5
174.05533	1.0
174.09129	0.6
175.08652	0.5
177.05444	1.5
178.04980	0.5
183.06848	0.4
186.09184	0.7
187.12288	3.1
188.03398	0.5
188.06956	0.4
190.04999	5.6
191.28795	0.4
192.06497	0.5
194.08110	0.4
197.10722	0.5
198.09145	17.0
200.09355	1.3
200.10745	1.2
201.13892	0.4
202.08484	0.4
204.06561	55.3
205.06953	1.0
206.08032	0.5
212.07092	0.4
212.10849	2.8
213.10149	0.4
215.11800	16.2
216.10175	0.5
225.10213	0.8
226.08632	5.5
227.08180	0.4
227.11748	2.1
228.08766	0.6
229.09702	0.9
229.13371	0.8
231.11322	0.7
237.10167	0.4
239.11795	0.7
240.10463	2.0
241.09717	1.7
241.13370	0.8
242.10547	2.0
243.11282	75.0
244.11697	1.7
251.11794	0.9
253.09798	0.9
255.11284	7.3
256.11835	0.5
257.12845	4.5
267.11377	0.4
269.09125	0.7
269.12811	0.6
279.11295	1.0
283.10748	0.6
284.11566	0.5
285.12335	70.0
286.12646	1.6
287.05713	0.5
297.12305	0.8
298.12973	0.7
301.11813	7.9
302.12543	0.5
303.13382	100.0
304.13730	1.6
307.10910	0.9
325.11798	4.4
327.13544	0.4
329.14948	1.0
339.13379	0.6
343.12897	0.5
357.14447	16.5
358.15140	3.1
359.16049	2.1
388.21075	3.4
416.15887	0.5
418.17746	0.4
419.11368	0.4
420.11597	1.0
430.17776	0.7
434.21967	0.4
456.15680	0.4
462.16531	1.9
474.16595	2.4
476.18228	0.5
487.17340	1.7
488.17548	0.4
494.19275	2.6
506.19077	0.8
519.19562	1.2
583.25574	4.7
599.24976	1.9
609.23352	1.0
627.24420	18.7
628.24756	0.9
641.25781	1.3
659.27325	4.9
788.61865	0.4
821.42419	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	821.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	0.6
62.37308	0.6
64.34718	0.7
67.05505	0.9
69.03442	3.6
69.22439	3.3
71.04993	0.8
73.58533	0.7
78.44004	0.6
79.05505	1.3
80.05025	0.7
81.03441	1.7
82.06612	0.8
85.02894	3.2
89.03939	0.7
91.05486	1.9
93.07038	0.7
94.06561	3.8
95.04988	0.8
95.89410	0.6
96.08132	0.8
97.02901	1.5
98.09715	0.7
98.23509	1.2
105.07025	0.9
106.06535	4.0
108.04527	0.9
108.08141	2.4
109.02893	1.2
111.08091	0.9
116.04994	1.3
118.06580	1.5
120.04494	1.8
120.08131	2.1
122.06043	3.6
122.09705	0.7
123.11872	0.7
124.07629	1.4
127.03890	0.9
134.06001	7.1
136.07578	3.3
138.12779	0.9
144.04491	2.1
144.08104	0.9
145.10162	1.2
146.06012	15.2
148.07582	2.1
150.05544	1.4
152.07117	1.4
159.11679	0.8
160.03934	0.8
162.05559	2.2
162.12808	1.3
164.07071	4.3
164.14377	0.8
165.09184	0.8
166.08665	0.9
167.07187	1.1
169.09956	0.7
170.09695	1.1
172.03952	8.6
172.07573	0.9
174.05540	2.5
176.07124	2.7
184.09911	0.8
190.04987	6.4
194.09747	1.2
197.10803	1.7
198.09068	1.1
199.12379	1.8
204.06563	10.6
204.08292	0.9
204.13803	0.9
209.10768	0.8
210.09196	1.6
210.11330	0.7
211.08765	3.2
211.12283	1.4
212.09410	1.4
213.10316	1.3
221.93539	0.6
223.08730	1.6
224.09428	0.8
225.10251	5.2
227.11771	10.3
235.08658	1.2
236.09494	0.9
237.10184	4.2
238.11047	1.2
239.11824	4.8
240.08968	0.8
240.12231	0.8
241.09790	1.1
241.13290	0.9
243.11266	1.4
247.09758	0.7
249.10448	1.4
250.10999	0.8
251.11920	2.3
253.09807	3.3
253.89520	0.7
255.11328	3.6
263.08264	1.0
263.11960	0.8
264.08835	1.6
265.09769	3.4
267.11279	3.2
269.12857	11.0
270.09912	0.7
271.10736	6.1
273.11475	1.1
275.12485	1.0
276.16113	1.0
277.09802	1.8
277.16324	0.8
279.11407	2.6
281.09631	0.8
281.12830	3.1
283.10907	2.6
284.11694	2.4
285.12338	4.9
286.13123	1.5
287.13925	15.1
293.09372	2.2
294.80045	0.7
295.10913	3.3
297.12241	3.0
299.14389	0.9
303.13763	0.8
309.12686	0.8
311.14099	1.6
313.12390	0.8
314.12958	1.1
316.14578	1.3
321.08795	0.7
323.10300	11.2
325.11783	1.3
327.13635	0.8
328.10846	1.4
329.11761	0.8
329.15179	0.8
330.16089	1.4
341.11533	1.3
342.12253	3.1
343.13126	1.3
344.14041	1.4
354.12192	0.8
355.12863	3.5
356.13940	2.5
357.14545	2.4
358.15533	1.5
360.17450	1.1
367.13156	0.8
370.15588	1.8
373.14102	0.7
374.18948	0.9
381.14737	0.7
382.12061	0.9
383.12778	0.9
384.13589	2.2
385.14044	1.2
386.14859	1.7
386.19223	1.0
388.16495	0.8
388.21158	16.3
389.21579	2.0
390.17932	1.3
390.22220	1.1
398.14975	8.6
399.15891	9.9
400.16629	1.4
404.16058	2.1
404.20712	2.0
405.16498	0.7
412.16934	1.4
414.18277	1.9
416.15948	7.1
422.16855	1.2
428.16266	2.1
430.17676	3.0
434.21848	1.3
440.16287	3.4
446.17310	2.3
458.17081	10.0
470.17087	0.9
485.15479	1.2
490.19641	4.2
535.23224	0.9
537.24945	1.9
549.21484	1.5
563.22607	1.1
565.24438	2.9
567.22589	1.7
573.20703	0.8
581.24036	7.0
591.22485	5.3
597.27368	1.7
609.23438	100.0
610.23706	5.1
613.26770	2.4
623.24609	1.2
627.23889	1.5
641.26007	35.3
642.26447	1.9
668.50812	0.7
743.29999	1.2
759.31982	1.9
771.28424	5.6
803.31128	2.1
821.41522	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	821.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.4
71.04949	0.6
78.32948	0.6
79.05457	0.8
81.03394	1.8
81.07022	0.9
83.34226	0.7
85.02879	1.2
91.05459	1.4
93.07030	1.6
94.06540	2.4
95.07312	1.2
95.08583	0.9
96.08117	3.8
97.02848	0.8
97.06482	0.6
103.05419	0.8
106.06508	0.8
108.08139	3.6
108.08720	0.7
109.02803	0.7
110.09679	5.2
111.04427	0.6
111.08043	0.8
116.04979	3.0
120.04414	1.3
120.08085	3.9
121.06490	0.9
122.06030	5.5
122.09621	0.7
124.07579	3.0
134.05992	1.3
136.07564	7.3
137.09647	0.6
138.09143	7.3
143.08501	0.7
144.04422	6.8
146.05978	2.3
146.09560	0.6
148.07526	2.3
150.05444	1.2
152.07048	0.7
155.08551	0.7
160.03880	1.9
162.05507	4.7
165.09108	3.7
166.08621	12.9
167.06914	1.0
170.09593	2.5
172.03938	42.2
172.11278	1.2
174.05424	1.2
175.08701	1.0
178.08475	0.8
181.04907	0.9
182.11815	1.0
183.06734	0.8
186.09148	1.1
187.08647	0.7
187.12291	4.1
190.05017	5.7
194.08209	0.8
198.09149	17.2
200.09294	1.7
200.10855	1.2
204.06557	74.5
205.06924	1.3
212.10760	4.6
215.11800	16.8
225.10143	1.1
226.08636	6.4
227.08316	0.7
227.11710	1.6
228.08856	0.7
229.13315	0.9
231.11183	1.1
239.11865	0.9
240.10156	2.5
241.09634	1.8
241.13329	1.3
242.10320	1.6
243.11281	96.9
244.11649	1.5
255.11230	8.5
257.12891	5.9
260.16449	0.7
267.11392	0.7
269.09277	1.2
279.11279	2.0
283.10699	1.6
284.11417	0.8
285.12332	89.0
286.12701	1.6
297.12347	1.7
298.13446	1.0
301.11810	8.8
303.13391	100.0
304.13751	1.9
307.10675	0.8
315.09961	1.3
325.11902	5.6
329.15012	1.2
339.13617	1.5
357.14432	20.4
358.15268	2.6
359.15964	3.2
374.23404	1.4
375.23486	1.0
386.15067	0.9
388.21161	4.0
405.22183	0.7
416.15961	1.2
418.17468	0.9
428.16257	0.9
430.17444	2.0
445.24258	0.7
462.16626	2.4
474.16586	2.1
487.17093	2.0
494.18994	4.4
506.19003	1.5
519.19897	1.6
583.25586	7.1
584.25952	0.7
599.25031	3.7
609.23059	1.8
627.24438	27.0
628.24603	1.1
641.25775	1.6
659.27246	3.6
820.40021	0.9
821.41150	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	821.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.5
69.03432	2.1
69.52597	0.7
70.06617	0.2
71.04995	0.3
77.05352	0.2
79.05486	0.4
80.05009	0.4
81.07063	0.4
83.01366	0.2
85.06547	0.4
91.05485	1.1
93.07048	0.7
94.06533	0.3
95.04946	0.5
95.08623	0.2
96.08135	0.6
97.06522	0.2
105.07032	0.6
106.06545	0.2
107.04939	0.2
108.08109	0.4
109.06381	0.2
111.08047	0.2
113.05997	0.2
116.10822	0.2
117.06967	0.3
119.08579	0.5
120.08113	0.4
121.06527	0.3
122.09689	0.4
124.07606	0.2
125.09651	0.3
126.09185	0.5
128.06242	0.2
129.07016	0.5
131.08554	0.4
133.06494	0.2
134.09726	0.4
135.07999	0.2
136.11215	0.8
137.06007	0.3
138.09102	0.2
139.03946	0.2
141.07030	0.2
142.07744	0.3
143.08601	0.2
145.06491	0.4
147.08075	0.2
149.05936	0.2
150.09193	0.2
152.10732	0.7
153.01852	0.6
153.05415	0.4
154.12257	3.9
157.10162	0.4
159.08112	0.2
162.09085	0.2
162.12749	0.2
164.10727	0.5
165.05402	0.2
167.08621	0.2
170.07272	0.2
177.09157	0.3
185.09674	0.8
189.08981	0.2
192.13855	1.1
193.04987	0.4
202.12193	0.2
203.07091	0.2
213.09149	0.3
219.06558	0.5
220.13376	0.5
221.13969	0.2
222.14963	0.2
247.09644	0.4
248.16330	0.2
249.07573	0.2
250.18068	0.2
259.09753	0.2
273.11206	0.2
278.17514	0.2
289.10559	0.3
290.13882	0.2
291.12283	2.3
402.14331	0.2
402.19092	0.8
419.15295	0.2
420.20169	100.0
421.20587	2.6
450.21408	0.9
788.19794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94226	0.1
67.05437	0.8
68.04977	0.3
69.03362	2.6
69.03768	0.2
69.07027	0.3
69.47820	0.6
70.06521	1.5
71.04950	0.3
72.66750	0.1
79.05420	1.2
79.05901	0.3
80.05025	0.7
81.07065	0.9
82.06504	0.6
82.06992	0.2
83.01300	0.4
83.07307	0.3
84.08142	0.7
84.91905	0.1
86.06004	0.2
91.05476	1.2
93.07038	0.9
94.06559	0.7
95.04894	0.6
95.08599	0.8
96.08132	2.5
97.06495	0.2
98.06013	0.2
98.09652	0.4
98.22726	0.2
99.04380	0.4
100.11185	0.6
105.04421	0.2
105.07026	1.0
106.06474	0.4
106.07153	0.2
107.08518	0.6
108.08054	0.3
109.06413	0.5
109.08841	0.2
110.09686	1.1
111.08034	0.2
112.11234	0.7
115.03883	0.2
115.05379	0.2
117.06931	0.5
119.04838	0.2
119.08587	0.8
120.08034	0.4
121.06435	0.3
122.09673	1.9
123.08048	0.2
123.10303	0.2
124.07482	0.2
124.11160	0.2
125.05926	0.5
126.09052	0.3
126.12754	0.2
127.03835	0.3
128.06186	0.3
128.07053	0.2
128.10643	0.5
129.06927	0.4
131.08466	0.6
132.08038	0.2
133.06454	0.4
133.10014	0.3
134.09642	0.7
135.04320	0.2
135.07951	0.3
135.10345	0.3
136.11212	1.8
137.05899	0.2
137.09521	0.2
138.09074	0.5
138.12778	3.7
139.03847	0.3
139.07643	0.1
140.10701	2.9
141.05412	0.2
141.06909	0.2
142.07686	0.2
143.08450	0.4
145.06390	0.6
145.10043	0.3
147.07944	0.4
148.07513	0.2
148.11134	0.4
149.05923	0.4
149.09578	0.3
150.09122	1.4
151.07498	0.3
152.10645	0.4
153.01749	0.4
153.05394	0.4
153.06888	0.1
154.07553	0.2
154.12231	0.9
155.03294	0.5
155.07007	0.3
155.08447	0.2
157.06422	0.2
157.10066	0.5
158.11748	0.3
159.07964	0.4
160.11212	0.2
161.05977	0.2
161.09561	0.3
162.09050	0.4
162.12764	0.7
164.10649	0.3
164.14259	0.6
165.05394	0.5
167.06990	0.3
167.08484	0.3
168.10207	1.0
169.10049	0.2
171.07996	0.4
173.05939	0.3
173.09543	0.4
174.12691	0.2
175.07538	0.3
175.11151	0.4
176.14302	1.0
177.09084	0.3
179.06960	0.3
181.04877	0.2
181.08525	0.4
181.10011	0.2
182.11757	1.8
183.06464	0.5
183.07945	0.2
184.13350	1.1
185.09549	0.5
186.12604	0.2
187.07420	0.5
187.44051	0.2
188.14320	0.3
189.09016	0.3
189.12726	0.2
190.12228	0.2
190.15871	0.3
191.07030	0.2
193.04890	0.3
193.12234	0.2
195.06451	0.2
195.08080	0.3
197.09665	0.2
199.07495	0.2
199.11150	0.2
201.09021	0.5
203.06906	0.3
203.10501	0.2
204.13863	1.0
205.08505	0.4
205.14528	0.3
206.15283	0.3
207.06458	0.2
208.13350	0.3
209.07976	0.2
213.09047	0.3
215.06958	0.2
215.10580	0.2
216.13770	0.2
217.08557	0.3
218.15341	0.2
219.06480	0.3
220.13235	0.5
222.14919	0.3
229.08476	0.2
231.10123	0.3
232.16924	0.3
234.14836	0.8
235.15358	0.2
236.16466	2.3
241.08507	0.3
245.11870	0.2
246.14865	2.1
247.09671	2.1
249.11217	1.2
259.09583	0.3
260.16556	0.4
262.18018	0.5
264.19724	0.5
273.11145	0.5
275.12646	0.2
276.15936	0.2
279.08731	0.5
289.10654	0.6
291.12289	2.2
292.18845	0.3
302.17386	0.3
304.15475	0.3
316.15381	0.2
318.16974	0.7
320.18564	5.4
328.15283	0.2
342.20468	0.3
344.18573	3.9
348.17810	0.2
357.17154	0.2
358.20200	0.5
360.17950	0.4
374.19470	0.2
376.20941	0.2
386.19617	1.8
400.21008	0.2
403.19876	0.3
404.20663	100.0
405.20969	2.9
406.22165	0.3
414.19073	0.3
416.20770	1.7
417.21243	0.9
418.22223	86.5
419.22556	3.7
532.60870	0.1
571.66638	0.2
598.51660	0.2
781.67316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	0.7
67.05747	0.4
68.04957	0.3
69.03353	2.3
69.07034	0.4
70.05170	0.5
70.06508	1.9
71.04939	0.4
79.05405	1.0
80.04928	1.2
81.06963	1.1
82.06507	0.5
83.01281	0.4
83.07298	0.4
84.08053	0.6
86.05965	0.4
91.05393	0.8
93.06936	0.8
93.07486	0.4
94.06478	1.0
94.07002	0.2
95.04874	0.6
95.08543	0.5
96.08138	2.2
98.09629	0.3
98.23357	0.3
99.04382	0.5
100.11194	0.6
104.77914	0.3
105.07021	1.2
106.06472	0.8
107.04877	0.2
107.08498	0.6
108.08028	0.9
109.06440	0.4
109.36059	0.3
110.09577	0.7
112.11177	0.3
115.05405	0.3
117.06905	0.7
119.08459	0.9
120.08062	0.5
121.06394	0.4
122.09672	1.6
123.07961	0.4
124.11134	0.4
125.05907	0.4
127.03857	0.3
128.06119	0.2
129.06897	0.7
131.08478	0.6
133.06424	0.4
133.10057	0.2
134.09550	0.8
135.04320	0.3
135.07935	0.4
135.10378	0.3
136.11238	2.1
137.05898	0.3
137.91090	0.2
138.09033	0.4
138.12779	3.8
139.07468	0.2
140.10689	1.6
140.20497	0.2
141.05377	0.3
141.21040	0.3
142.07686	0.4
143.08548	0.4
145.06381	0.7
145.10074	0.4
146.09584	0.3
147.07954	0.3
147.11572	0.3
148.11137	0.5
149.05884	0.3
149.09514	0.4
150.09125	1.8
151.07411	0.3
152.10635	0.4
153.05376	0.5
153.08983	0.3
154.12163	1.0
155.03296	0.6
155.06932	0.6
155.08434	0.4
157.06439	0.3
157.10069	0.4
159.07988	0.4
161.09595	0.5
162.12694	0.8
164.10643	0.4
164.14259	0.8
165.05453	0.4
165.06915	0.3
165.08975	0.3
167.07037	0.4
168.10217	1.4
169.09996	0.2
171.08028	0.4
172.08778	0.3
173.05933	0.3
173.09492	0.6
174.12692	0.3
175.07483	0.4
175.11192	0.5
176.10643	0.3
176.14224	0.6
179.06909	0.4
180.10161	0.3
181.08546	0.6
182.11787	1.5
183.06451	0.7
183.07983	0.2
184.13383	1.3
185.09584	0.5
187.07457	0.3
187.11179	0.3
189.09053	0.5
190.12202	0.5
190.15807	0.3
191.10654	0.3
193.04808	0.4
195.07841	0.3
199.07454	0.4
201.09279	0.3
204.13786	0.8
205.08485	0.5
207.06497	0.3
211.07439	0.3
213.09001	0.5
216.88133	0.2
217.08604	0.3
217.12157	0.3
220.13257	0.5
222.14795	0.4
227.10561	0.2
234.14828	0.8
236.16402	2.5
245.07996	0.8
246.14882	3.3
247.09676	2.4
248.16542	0.2
249.11278	1.2
259.09576	0.3
262.17853	0.4
264.19565	0.3
273.11142	0.5
275.12759	1.0
276.15903	0.4
279.08603	0.4
289.10660	0.7
291.12271	1.5
292.18927	0.4
302.17584	0.3
318.16812	0.5
320.18594	7.8
321.18710	0.3
344.18506	5.4
358.19901	0.4
360.18027	0.6
376.21182	0.6
386.19775	1.8
388.21222	0.4
389.19095	0.3
403.19766	0.3
404.20679	100.0
405.21100	3.1
406.22311	0.9
416.20642	1.1
418.22244	95.4
419.22617	3.3
791.55438	0.3
821.42194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32067	0.4
70.06593	0.5
70.88745	0.5
103.23218	0.4
130.65482	0.4
133.21103	0.4
137.05965	0.5
175.41798	0.4
409.25595	100.0
410.25775	2.1
474.79059	0.4
629.80414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	19.5
57.07067	1.7
59.05002	5.5
61.02932	5.5
65.03940	2.7
67.05508	100.0
69.03436	6.1
69.07069	12.3
69.28484	3.6
69.28896	3.6
71.01366	4.7
71.05001	7.0
73.02927	5.1
73.38409	1.3
79.05499	25.3
81.03432	15.7
81.07066	32.6
83.04985	12.7
83.08626	17.6
85.02908	28.1
85.06548	4.3
87.04471	8.9
91.03931	1.5
91.05493	19.8
91.06068	2.2
93.07047	14.1
95.04984	9.5
95.08614	18.0
97.02898	8.0
97.06542	6.2
97.10174	25.0
103.03938	1.4
104.10779	1.7
105.07033	7.2
107.04980	3.7
107.08609	14.7
109.06525	2.4
109.10163	86.4
111.04440	3.6
111.08115	3.8
117.07040	3.8
119.08600	10.5
121.06556	2.5
121.10165	4.3
123.08095	2.2
123.77869	1.4
125.09636	29.4
127.04015	1.8
129.05484	2.3
129.07014	1.5
131.08578	5.3
133.10139	2.2
135.08083	2.6
135.11703	5.8
137.09592	4.9
143.10710	4.8
145.10162	5.9
147.08000	2.1
153.12767	4.3
155.10719	7.2
157.10197	2.3
163.11169	11.4
173.09612	2.7
173.10223	2.2
173.11761	31.0
181.12289	3.1
184.07518	1.3
189.11188	2.0
191.10725	4.0
193.12271	1.5
199.13332	11.6
204.13876	3.2
209.11749	12.0
227.12825	6.5
229.14359	76.9
230.14684	1.7
257.13834	3.5
258.05737	1.4
267.15988	2.8
283.15536	3.2
301.16467	11.0
353.23398	2.5
373.18604	24.1
383.24216	11.4
388.21024	2.3
399.23947	1.7
418.22345	3.6
455.26224	3.5
527.28534	23.3
545.29382	2.2
625.35663	8.6
643.36633	5.7
653.28918	5.0
822.41412	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	822.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	23.2
57.07094	3.1
59.04988	2.7
61.02927	4.5
63.24026	1.8
65.03945	4.6
67.05160	3.7
67.05507	61.4
69.03419	14.3
69.07067	42.0
70.72763	1.6
71.04990	20.7
73.02917	5.4
77.03942	2.7
79.05495	60.1
81.03417	100.0
81.07058	74.1
83.04989	16.8
83.08619	34.4
85.02911	8.0
85.06546	6.1
87.04462	2.3
87.38758	1.7
91.05484	58.1
93.07042	47.9
95.04971	45.9
95.08622	28.6
96.08833	1.8
97.02921	8.1
97.06535	69.1
97.10171	19.3
99.04479	2.9
99.08101	4.0
103.03999	2.6
103.06761	2.1
105.04527	4.7
105.07032	42.9
107.04958	21.0
107.08592	34.2
109.02909	5.8
109.06523	26.5
109.10155	17.6
111.04465	7.2
111.08067	17.4
113.06006	3.6
115.05470	2.7
115.07567	22.3
116.06272	1.7
117.07027	17.1
119.08566	33.5
121.06519	12.0
121.10150	20.7
123.08049	10.8
123.11706	5.3
125.09634	12.1
127.03943	5.4
128.06259	3.5
129.07021	22.5
131.04950	3.5
131.08553	36.5
131.09465	2.9
133.06503	10.3
133.10129	25.1
135.08047	20.5
135.11731	12.8
135.93480	1.7
137.09651	4.0
141.07025	4.9
142.07724	2.5
143.08536	12.6
145.06497	6.6
145.10155	17.7
147.08060	10.9
147.11685	14.1
149.09644	11.8
149.13272	6.9
151.11180	3.8
153.09167	2.6
155.08562	5.3
157.10133	17.9
159.08089	11.1
159.11670	11.5
161.09647	9.6
161.13264	2.7
163.11159	8.3
165.12756	3.3
167.08588	3.7
169.10114	5.1
171.08113	2.7
171.11722	6.0
173.04492	2.8
173.09653	5.3
173.13332	1.9
175.11201	13.6
177.12778	4.2
179.08731	2.5
181.10159	3.7
181.12260	2.8
183.08075	2.3
183.11731	4.1
185.09558	3.1
185.13321	5.8
187.11157	4.2
189.11238	7.1
189.12738	3.4
189.16324	1.6
193.12215	25.1
195.11752	3.4
197.09624	2.3
197.13301	2.7
199.11308	3.3
199.14886	4.2
201.12755	3.5
201.16393	1.9
203.14345	4.3
204.13846	2.6
205.12213	3.7
211.11391	1.8
211.13243	4.5
216.75996	1.7
217.15828	8.9
219.13850	3.1
221.15297	3.6
223.13165	2.5
227.12749	9.2
233.15373	4.3
235.13113	1.8
245.19061	4.0
249.14870	4.1
253.14391	4.9
255.17819	4.4
263.20120	1.9
267.15906	79.8
269.14932	2.6
269.17484	16.2
271.16888	3.1
273.15323	2.1
273.18417	29.8
289.18021	4.2
291.19562	18.8
293.17447	1.8
307.18921	2.1
313.21509	2.7
315.19403	2.7
320.40744	1.9
345.20816	2.4
347.22061	10.4
363.21906	2.7
365.23349	12.6
369.24557	2.9
383.24103	5.5
387.25211	3.3
395.25745	2.1
421.25861	4.5
435.27820	10.4
443.28094	9.1
447.27979	13.0
461.29041	45.0
465.29895	8.8
471.27750	2.7
477.28824	3.2
483.30814	5.1
487.30740	11.9
489.28461	4.8
493.31647	9.6
499.30453	7.0
501.31763	2.9
503.30121	2.3
517.31598	3.2
521.32849	2.8
539.33704	24.1
540.33636	2.2
554.95679	1.8
557.34735	59.2
558.35541	2.6
575.35699	35.4
589.37140	5.1
683.38208	4.0
719.39691	2.6
745.50635	2.1
822.42133	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	823.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	1.7
67.05497	1.6
69.03431	3.7
69.07071	1.5
79.05499	3.0
80.05037	1.4
81.03426	2.5
81.07069	1.2
82.06582	2.4
83.08636	1.1
84.04488	1.6
85.02897	4.6
87.04481	0.9
89.03902	0.8
91.05499	3.8
92.05019	1.4
93.05811	1.4
93.07050	7.2
94.06581	10.0
95.04972	1.9
95.07352	5.8
95.08633	1.4
96.08134	16.3
97.02916	1.8
97.06538	2.1
98.22559	1.5
99.04411	1.0
103.05503	1.1
105.06993	1.7
106.06555	2.6
107.07353	1.3
108.04488	2.8
108.08122	18.4
110.06024	1.1
110.09687	31.2
116.04984	3.9
118.06511	1.3
118.48735	1.2
120.04460	8.6
120.08104	24.5
121.06507	1.5
122.06055	7.3
122.09673	2.5
123.06860	0.8
124.07598	8.8
127.03972	1.4
130.05017	1.3
134.06024	4.0
136.07568	19.1
138.05533	5.6
138.09140	47.2
144.04436	8.5
144.08150	0.9
146.05997	8.2
148.03955	1.2
148.07573	11.2
150.05533	1.7
150.09152	3.6
151.07549	2.1
152.07089	3.3
160.03946	4.0
160.07605	0.8
162.05540	6.0
164.07129	3.0
166.05008	3.2
166.08643	84.2
167.07077	1.6
167.09070	1.2
172.03938	50.3
173.04306	2.0
174.05531	3.7
176.07076	2.5
178.05017	3.8
188.03452	1.3
188.07033	1.0
190.04985	30.7
190.06642	1.6
192.06436	1.3
193.36903	0.9
197.10762	2.9
198.11449	1.0
199.12344	1.5
200.07283	0.9
204.06561	61.9
204.13896	1.6
205.06915	3.6
209.08348	0.8
209.10742	1.9
210.09297	1.2
210.11505	1.3
211.08656	1.6
211.12285	1.1
212.09448	2.5
213.10336	3.4
215.11801	1.9
216.06425	1.4
222.11435	1.4
223.08607	1.6
224.09430	2.5
225.10242	7.5
226.11043	2.0
227.11794	15.4
235.08763	2.0
236.09459	2.6
237.10239	13.1
238.11110	2.7
239.11752	4.9
240.08936	1.3
241.09747	5.4
241.13350	1.5
241.51788	0.8
243.11340	3.7
244.11676	2.1
245.12837	3.7
247.14560	3.0
249.10321	3.4
250.07231	1.1
250.11107	1.5
251.08076	2.3
251.11797	12.2
252.08914	2.5
252.12485	2.7
253.09695	8.0
253.13414	1.4
255.11299	4.4
257.12836	2.0
263.08139	1.9
263.11792	3.2
264.08951	3.2
265.09760	17.6
266.10526	3.1
267.11368	5.6
268.08527	0.9
268.12024	1.1
269.09787	1.4
269.12820	9.3
271.10754	10.4
271.13861	1.2
273.12280	10.0
277.09738	2.7
278.06619	4.9
278.10422	1.6
279.11273	13.8
280.08670	1.2
280.11905	2.4
281.09189	2.5
281.12866	4.8
282.10022	1.0
283.10791	9.9
284.11487	3.4
285.12424	7.2
286.12677	2.5
287.13867	13.3
289.12021	1.7
291.11157	2.1
292.08121	1.2
293.09222	16.9
294.09964	4.3
295.10800	2.6
297.12341	14.1
299.10318	2.8
299.13892	3.6
300.10925	1.6
303.13437	4.0
304.13846	3.0
305.14954	18.7
307.10776	7.1
309.12326	4.0
311.10358	3.7
312.11243	3.0
313.11832	8.1
315.13605	1.6
316.14526	1.7
323.10220	5.7
325.11789	34.7
327.13571	3.0
328.10910	1.4
329.15451	1.0
330.16055	2.1
331.13156	1.3
335.10196	10.1
339.13528	1.5
340.10611	1.4
340.14554	1.0
341.11340	16.7
341.15225	1.6
342.12314	2.5
343.13062	4.2
346.15646	1.2
347.15610	1.4
353.11307	17.4
354.12271	1.1
355.13196	1.1
356.13956	2.5
357.14453	25.8
358.15445	3.7
359.16406	0.9
370.15607	1.6
372.17249	1.2
373.13919	9.1
373.18134	1.3
374.14581	1.2
376.16501	1.6
382.11884	1.6
383.12802	1.5
384.13382	1.3
385.14139	7.5
386.14911	2.6
388.16681	2.0
388.21097	7.3
390.17984	2.8
398.15137	9.3
399.15857	9.4
400.16339	1.8
404.15793	4.5
408.19354	1.9
414.18146	2.4
416.15887	12.4
417.16840	9.7
418.17343	2.3
418.22491	1.2
422.17072	2.1
428.16107	1.9
430.17694	2.0
432.19043	2.4
434.16809	4.6
436.18716	1.4
436.23972	1.3
440.15982	4.6
446.16943	4.9
448.18698	1.6
458.17154	13.0
459.16916	1.2
460.18552	2.7
464.18097	2.1
465.18854	6.2
476.18158	8.2
478.19696	4.3
487.17261	5.4
488.17813	4.9
490.19669	4.4
506.19235	95.9
507.19336	5.8
508.20703	2.4
510.22467	3.1
519.19977	1.4
520.21045	5.2
538.21844	100.0
539.21484	4.1
569.23279	1.8
587.24915	1.2
593.23248	1.7
611.24988	46.9
612.25079	3.3
625.29004	1.0
629.26044	32.0
630.26233	2.9
643.27667	12.4
661.28491	8.5
700.27295	1.1
773.30273	14.0
774.30072	1.3
791.31183	14.7
792.30554	1.3
805.32318	1.6
823.32385	2.6
823.44574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41269	0.1
65.04021	0.1
67.05627	1.0
69.03558	0.8
69.07172	0.2
70.06706	0.2
71.04765	0.3
71.05138	0.5
77.66596	0.1
79.05635	0.8
80.05157	0.6
81.07220	0.5
82.06725	0.2
83.01491	0.4
83.05092	0.3
85.06219	0.2
85.06702	0.5
91.05647	1.1
93.07202	0.9
94.06720	0.4
95.05128	0.7
95.08717	0.3
96.08261	0.3
97.06660	0.3
98.23533	0.3
99.04626	0.5
99.06968	0.2
103.05593	0.1
104.39555	0.1
106.06731	1.5
107.05138	0.7
107.08770	0.6
108.08217	0.2
109.06671	0.4
110.09832	0.2
111.08225	0.3
112.07819	0.5
113.06156	0.2
115.05596	0.2
116.06398	0.2
117.07190	0.4
118.06728	0.5
119.05046	0.2
119.08015	0.2
119.08760	0.5
120.08257	0.5
121.06673	0.4
122.06164	0.3
122.09814	0.3
123.08281	0.2
124.07744	0.2
125.09769	0.2
126.09348	0.9
127.04113	0.7
128.06445	0.2
129.07204	0.4
130.06667	0.3
131.08759	0.5
132.08223	0.3
133.06685	0.4
134.07442	0.1
134.09688	0.7
135.08226	0.4
135.11874	0.2
136.07761	0.3
136.11406	0.5
137.06088	0.3
138.09244	0.2
138.51358	0.1
139.04005	0.2
139.07690	0.2
141.05649	0.4
142.07925	0.3
143.08698	0.3
144.08223	0.2
145.06694	0.5
145.10324	0.4
146.09764	0.3
147.08165	0.3
148.07709	0.2
148.11348	0.1
150.09357	0.3
151.04054	0.2
151.07683	0.3
152.10718	0.8
153.05653	0.5
154.12279	2.3
155.03412	1.1
155.07257	0.6
155.08723	0.3
157.06618	0.3
157.10274	0.2
158.09773	0.2
159.07043	0.1
159.08266	0.5
159.11806	0.2
160.07657	0.2
160.11398	0.2
161.06090	0.2
161.09692	0.2
163.07692	0.1
163.11308	0.2
164.10956	0.5
165.05537	1.2
165.06779	0.2
165.09398	0.1
166.12344	0.2
167.07269	0.9
167.08673	0.2
168.10359	0.2
169.10303	0.3
170.11966	0.3
171.08311	0.4
172.11414	0.5
173.06093	0.3
173.09880	0.5
174.12904	0.2
175.07735	0.3
176.10886	0.1
177.05714	0.2
177.09311	0.2
178.12442	0.3
179.07162	0.3
183.06729	1.0
183.08249	0.5
185.09842	0.5
187.07658	0.3
187.11356	0.2
189.09247	0.3
191.07195	0.3
191.10837	0.2
192.13820	0.7
193.05135	0.3
195.06693	0.3
195.08324	0.3
195.10240	0.2
197.09792	0.3
199.07785	0.2
199.11330	0.2
200.10817	0.3
201.09293	0.5
202.09976	0.2
202.12560	0.2
203.07338	0.2
205.08853	0.4
207.06703	0.5
207.10304	0.1
211.07738	0.3
212.08479	0.1
213.09315	0.3
215.10858	0.2
217.08891	0.2
218.11855	0.2
219.10403	0.2
220.13541	0.4
221.08136	0.1
221.14278	0.2
225.09453	0.2
227.07263	0.1
231.10432	0.2
233.08224	0.3
233.11797	0.2
236.12814	0.1
243.10268	0.3
247.09644	0.7
247.76590	0.1
248.16528	0.3
249.11287	0.3
250.18094	0.1
259.09894	0.2
261.11267	0.9
263.09161	0.9
263.46347	0.1
263.49924	0.1
271.09875	0.4
273.11234	1.5
275.12756	1.5
276.16232	0.1
277.10837	0.4
278.17557	0.2
279.08875	0.2
283.09808	0.2
285.11279	0.3
288.12585	0.2
289.10764	0.3
290.14072	0.3
292.06140	0.2
292.15836	0.1
292.19165	0.1
308.15164	0.2
357.17160	0.2
384.17932	0.2
390.22723	0.3
402.19113	1.7
404.20694	44.4
405.21103	1.5
420.20145	100.0
421.20514	3.4
421.25851	0.3
422.21719	0.2
434.21841	0.2
823.42285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04539	0.1
60.32387	0.1
65.03952	0.2
67.01887	0.1
67.05505	1.1
68.05032	0.2
69.03429	1.1
69.07088	0.2
70.02954	0.1
70.06600	0.2
71.04993	0.7
71.46653	0.1
77.03947	0.1
79.05493	1.0
79.05875	0.1
80.05016	0.7
81.03442	0.2
81.07059	0.7
81.07423	0.1
82.06594	0.2
83.01342	0.7
83.05003	0.3
83.07391	0.1
84.04507	0.1
85.02965	0.1
85.06559	0.4
86.06099	0.1
90.16443	0.1
91.05473	1.2
92.05009	0.1
93.05812	0.1
93.07042	1.0
94.06566	0.5
95.04983	0.7
95.07394	0.1
95.08624	0.2
96.04498	0.1
96.08141	0.4
97.06550	0.2
98.06068	0.1
98.09705	0.2
99.04441	0.7
99.04964	0.1
99.06833	0.1
103.05481	0.1
106.06554	1.6
107.04945	0.6
107.07387	0.1
107.08596	0.5
107.53860	0.1
108.05723	0.1
108.08125	0.4
109.06503	0.6
109.08942	0.1
110.06090	0.3
110.09711	0.2
111.08111	0.3
112.07594	0.5
112.08257	0.1
113.06035	0.2
115.03970	0.2
115.05477	0.2
117.05795	0.1
117.07012	0.7
118.06547	0.4
119.04960	0.2
119.08601	0.6
120.08127	0.4
121.06487	0.6
121.08875	0.1
121.10132	0.1
122.06026	0.3
122.09657	0.4
123.04439	0.2
123.06773	0.1
123.08109	0.3
123.10480	0.1
124.07616	0.2
124.11250	0.2
125.05926	0.1
125.09670	0.1
126.09141	0.9
127.03910	0.8
127.07618	0.1
128.06235	0.2
128.10762	0.1
129.05556	0.1
129.06987	0.6
130.06566	0.4
130.07825	0.1
131.04962	0.1
131.07362	0.1
131.07697	0.1
131.08563	0.5
132.08075	0.3
133.06503	0.4
133.08881	0.1
133.10149	0.2
134.06004	0.1
134.09650	0.9
135.04442	0.1
135.08054	0.4
135.10448	0.1
136.07567	0.3
136.11209	0.6
137.05988	0.5
137.09636	0.1
138.09152	0.2
139.03918	0.1
139.07593	0.3
140.07047	0.1
140.10725	0.2
141.05495	0.3
141.07010	0.2
142.07802	0.2
143.08540	0.5
144.08101	0.2
144.10287	0.1
145.06476	0.5
145.09018	0.1
145.10144	0.4
146.06052	0.2
146.07285	0.1
146.09665	0.3
147.04501	0.1
147.08046	0.4
147.10480	0.1
148.07608	0.2
148.11243	0.2
149.05972	0.1
149.09645	0.2
149.12068	0.1
150.09158	0.4
150.12819	0.1
150.19797	0.1
151.03926	0.3
151.07500	0.2
151.11189	0.1
152.10698	0.9
153.05501	0.3
153.06931	0.1
154.07669	0.1
154.12262	2.3
155.03392	1.1
155.07080	0.8
155.08583	0.4
157.06541	0.2
157.10080	0.3
158.06041	0.1
158.07269	0.1
158.09642	0.1
159.08023	0.5
159.11713	0.2
160.07578	0.1
160.08789	0.1
160.11200	0.2
161.06047	0.2
161.08401	0.1
161.09666	0.2
162.09181	0.2
163.07545	0.2
163.11241	0.1
164.07063	0.1
164.10677	0.4
164.11900	0.1
164.14328	0.1
165.05502	1.2
165.06952	0.1
165.09155	0.2
166.07643	0.1
167.07079	0.7
167.08594	0.2
168.10204	0.2
169.05087	0.1
169.06526	0.2
169.10170	0.2
170.07335	0.1
170.09621	0.1
170.11761	0.4
171.08105	0.3
171.11765	0.1
172.08865	0.2
172.11214	0.4
173.06044	0.4
173.09570	0.5
174.09111	0.1
174.10445	0.1
174.12831	0.2
175.07552	0.3
175.11212	0.2
176.10703	0.2
176.14349	0.1
177.05508	0.1
177.09109	0.3
177.11458	0.1
178.12305	0.1
179.07051	0.4
179.08525	0.1
179.10645	0.2
179.97443	0.1
180.10226	0.1
181.04977	0.1
181.06493	0.1
181.08673	0.1
182.11778	0.2
183.06572	1.1
183.08099	0.3
184.08897	0.1
184.11305	0.2
185.05977	0.1
185.09613	0.4
186.10474	0.1
187.07555	0.4
187.11208	0.2
188.08301	0.1
188.10573	0.1
189.05467	0.1
189.09041	0.3
189.12819	0.1
190.06342	0.2
190.12325	0.3
191.07077	0.3
191.10683	0.1
192.10103	0.1
192.13832	0.7
193.05017	0.2
193.08606	0.1
194.15469	0.1
195.06540	0.5
195.08130	0.2
196.08998	0.1
197.05983	0.1
197.09605	0.2
198.06770	0.1
198.09154	0.1
199.07529	0.3
199.11217	0.2
200.10725	0.2
200.14374	0.1
201.09137	0.4
202.12326	0.2
203.07066	0.1
203.10696	0.2
203.12869	0.1
204.07841	0.1
204.13902	0.2
205.08577	0.4
205.12262	0.1
206.11804	0.1
207.06454	0.6
207.10121	0.3
209.09804	0.1
210.09128	0.1
211.07599	0.2
211.11211	0.1
212.08389	0.1
212.10684	0.1
213.05525	0.1
213.09134	0.3
215.07036	0.1
215.10684	0.3
217.08641	0.3
217.12282	0.2
218.11743	0.4
218.15417	0.1
219.06563	0.2
219.10185	0.3
220.07216	0.1
220.13403	0.4
220.16960	0.1
221.08023	0.3
221.13968	0.1
222.14940	0.2
223.09602	0.1
225.09154	0.1
227.06990	0.1
227.10701	0.2
228.07933	0.1
228.10080	0.1
228.13800	0.1
229.08652	0.2
229.12280	0.2
230.09505	0.1
230.15370	0.2
231.10199	0.2
232.13387	0.1
232.17154	0.1
233.08096	0.2
235.09641	0.1
236.12898	0.1
236.16603	0.1
239.10617	0.1
241.08669	0.2
243.10310	0.2
245.08022	0.2
245.11702	0.1
246.14963	0.1
247.09644	0.5
248.16534	0.2
249.11211	0.2
250.18076	0.2
255.10197	0.1
256.07358	0.1
256.09964	0.1
257.11765	0.1
258.08972	0.1
258.14835	0.1
259.09680	0.1
261.11243	0.9
263.09143	0.6
268.05917	0.1
271.09662	0.4
273.11176	1.7
275.12778	1.7
276.12955	0.1
276.15955	0.1
277.10635	0.4
278.17551	0.1
285.11282	0.3
285.14658	0.1
288.12347	0.2
289.10724	0.2
290.13870	0.3
292.06113	0.2
292.15448	0.2
292.18607	0.1
295.09161	0.1
296.05688	0.1
299.12640	0.2
300.12433	0.1
310.11057	0.1
313.14224	0.1
320.05609	0.1
323.12747	0.1
339.16168	0.1
342.14447	0.1
343.15668	0.2
357.16974	0.2
366.17334	0.1
374.19794	0.1
376.21362	0.1
377.18307	0.2
384.18082	0.3
386.19623	0.3
388.21094	0.3
390.22852	0.4
402.19095	1.4
404.20651	47.5
405.16107	0.1
405.21088	1.9
420.20114	100.0
421.20477	4.1
421.26404	0.1
823.42841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46467	0.2
60.04526	0.5
67.05503	0.5
68.05045	0.3
69.03428	2.1
70.06593	5.3
70.51073	0.2
71.04994	1.2
71.06907	0.2
72.07779	0.3
72.08152	3.3
72.59096	0.2
73.08485	0.3
79.05487	0.8
80.05021	0.5
81.07066	1.6
82.06570	0.2
83.05008	0.2
84.04498	0.4
84.08153	1.1
85.02880	0.2
86.09705	0.2
91.05489	0.6
93.07052	0.7
94.06575	0.4
95.05005	0.4
95.08601	0.5
96.05695	0.2
96.08102	0.9
97.02885	0.6
97.06555	0.3
99.04448	0.5
100.07655	0.3
105.07043	0.6
107.08578	1.0
108.08128	0.2
109.06519	0.8
109.08936	0.2
110.09686	0.7
111.08109	1.4
112.07584	0.3
114.09160	0.2
117.07077	0.2
119.08616	0.3
120.08100	0.3
121.10159	0.3
121.66461	0.2
122.09689	1.5
123.08091	0.3
124.07597	0.3
124.08892	0.5
124.11227	0.5
125.05985	0.4
126.09216	0.3
128.07053	0.5
129.10304	0.4
131.08578	0.2
134.09679	0.4
135.08072	0.4
136.11226	1.0
137.05984	4.8
139.07503	0.5
141.10217	0.4
145.10136	0.3
146.02383	0.2
147.11618	0.2
148.11200	0.2
149.13113	0.2
150.09152	2.1
152.10733	0.5
154.12158	0.4
159.11383	0.6
161.09628	0.3
162.12791	1.2
164.14380	0.4
166.15894	1.1
168.10201	2.0
169.09874	0.3
175.11046	0.3
176.14246	0.2
180.10153	0.4
182.11777	3.1
183.06390	0.3
183.07800	0.3
184.11914	0.2
184.13246	0.8
187.10716	0.2
190.15913	0.3
192.17619	0.3
194.15385	0.7
195.16341	0.2
198.11266	0.3
201.08818	0.3
201.12378	0.3
207.10165	0.2
217.07164	0.2
219.10242	0.2
221.11707	1.6
226.12035	0.2
234.14865	0.4
236.07179	0.3
236.16466	6.3
238.08513	0.2
247.09521	0.2
250.05075	0.6
250.14508	0.2
252.13490	0.2
254.15030	0.3
262.18082	0.3
264.06516	1.8
264.19687	1.8
268.06030	3.0
278.17795	0.2
282.14487	0.6
286.23990	0.2
290.17477	0.5
292.06055	2.9
292.19095	2.4
293.06522	0.2
294.07596	0.4
296.05527	1.9
300.15607	0.6
301.15704	0.2
316.15439	0.3
316.19043	1.6
320.05563	3.3
321.05865	0.4
336.17596	0.2
338.06580	1.4
362.22980	0.2
372.22067	0.3
388.21356	0.4
390.22742	100.0
391.23047	4.9
392.24249	12.0
393.24673	0.3
406.22845	0.2
410.96649	0.2
416.20834	1.2
429.19733	0.5
430.20053	0.5
432.20236	0.3
434.21783	14.3
435.22015	0.5
512.12347	0.2
528.26837	0.3
666.22021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.2
62.97319	0.2
67.05495	0.3
69.03127	0.2
69.03429	1.8
69.08115	0.2
70.06599	2.1
71.04999	1.0
79.05471	0.7
80.05010	1.0
81.07063	1.9
82.06552	0.3
83.01315	0.2
84.08121	0.8
85.06528	0.5
86.06085	0.2
91.05450	0.6
93.07047	1.0
94.00459	0.2
94.06573	1.2
95.08578	0.7
96.08115	0.6
97.02866	0.7
97.06538	0.3
97.08895	0.3
99.04417	0.4
105.07011	0.9
107.08588	1.3
108.08114	0.5
109.06497	0.9
110.09695	0.4
111.04423	0.2
111.08083	1.8
112.07549	0.2
117.06999	0.4
119.08577	0.5
120.08084	0.4
121.06470	0.7
122.09663	2.2
123.08063	0.5
123.10408	0.3
124.07567	0.3
124.08799	0.6
124.11206	0.5
125.05968	0.8
128.07094	0.2
131.08492	0.2
132.07098	0.2
133.06464	0.5
134.09630	0.8
135.08018	0.9
136.11208	1.5
137.05984	6.1
137.09578	0.3
139.07487	0.3
143.08601	0.3
145.10107	0.8
147.08038	0.2
149.06017	0.3
149.13248	0.2
150.09137	3.1
150.79118	0.2
151.07477	0.3
152.10710	1.0
153.05446	0.6
154.12267	0.6
159.08080	0.3
160.11174	0.4
161.09561	0.5
162.12750	0.8
164.10741	0.2
165.09193	0.2
166.15865	1.2
168.10194	2.4
173.09566	0.6
174.12817	0.3
175.11214	0.5
177.09064	0.2
177.12674	0.3
180.10217	0.3
181.08629	0.5
182.11769	4.4
183.06627	1.0
183.07962	0.2
184.13350	0.5
188.10857	0.3
189.09117	0.6
190.12239	0.3
194.15402	0.9
203.10738	0.3
205.12158	0.4
208.13322	0.5
218.11571	0.3
221.11758	1.9
222.14825	0.2
231.10039	0.4
232.13326	0.3
234.14813	1.2
236.16444	4.1
249.11327	0.4
262.18103	0.3
264.19592	1.6
278.17505	0.3
290.17618	0.3
292.19028	2.4
312.19800	0.2
314.17566	0.4
316.19049	1.7
318.17065	1.6
340.18951	0.4
342.16858	1.0
360.17923	0.3
370.20334	0.4
372.21518	0.7
388.21338	0.9
390.22745	100.0
390.62943	0.2
391.23074	3.3
398.19104	0.2
404.20740	1.4
416.20682	15.5
417.20718	0.5
434.21750	60.5
435.22070	1.8
574.72711	0.2
576.52228	0.2
592.52008	0.2
818.59528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.1
60.04519	0.3
67.05499	0.5
69.03112	0.2
69.03433	1.5
69.07082	0.1
69.30369	0.5
69.74310	0.1
70.06593	3.3
71.04993	1.0
72.08152	1.5
73.08478	0.2
77.03882	0.1
79.05491	0.5
80.05012	0.6
81.07053	1.7
82.06592	0.3
84.04488	0.2
84.08131	0.8
91.05481	0.3
93.07030	0.7
94.06565	0.4
95.04977	0.2
95.08600	0.5
96.08125	0.9
97.02883	0.6
97.06513	0.2
97.08930	0.3
99.04449	0.4
100.07639	0.1
102.05570	0.1
105.07034	0.4
107.08597	1.1
108.08118	0.3
109.06496	0.8
110.09687	0.4
111.04459	0.2
111.08083	0.8
114.00930	0.1
117.07012	0.2
119.08568	0.4
120.08127	0.2
121.10150	0.2
122.09668	1.5
123.08078	0.3
123.10503	0.2
124.07581	0.3
124.08830	0.5
124.11220	0.4
125.05981	0.4
126.09117	0.2
126.12697	0.1
127.03926	0.1
128.07069	0.4
131.08546	0.5
132.08028	0.1
133.10159	0.2
134.09628	0.2
135.08051	0.4
136.11197	1.2
137.05978	5.1
137.09642	0.1
138.09128	0.1
138.12711	0.2
139.07558	0.3
140.07103	0.1
141.10226	0.2
145.10065	0.2
148.11194	0.3
150.09140	1.9
152.10692	0.3
154.12276	0.4
159.11421	0.2
160.11339	0.2
161.09628	0.2
162.12752	0.6
164.10738	0.2
164.14352	0.3
166.15910	1.2
168.10199	1.9
169.09853	0.1
170.11821	0.2
175.11185	0.2
176.14330	0.2
177.12836	0.1
180.10187	0.2
181.09753	0.1
182.11763	2.6
183.06523	0.3
184.13371	0.6
190.15979	0.2
192.13731	0.2
194.15395	0.7
198.11031	0.2
201.12267	0.2
203.10678	0.1
218.15390	0.2
220.13434	0.2
221.11684	1.4
222.14958	0.3
234.14841	0.2
236.16440	4.7
250.05042	0.3
262.17914	0.1
264.06561	0.7
264.19534	1.5
266.08084	0.1
268.06046	1.4
276.06454	0.1
278.17380	0.1
282.14581	0.2
283.14899	0.1
290.17566	0.2
292.05994	1.3
292.19037	2.6
293.19351	0.1
294.07605	0.2
296.05579	0.8
316.19077	1.3
320.05533	1.7
321.06049	0.2
338.06537	0.6
362.23340	0.2
372.21857	0.3
388.21445	0.1
390.22726	100.0
391.17947	0.2
391.23071	4.5
392.24225	6.0
393.24371	0.2
416.20456	0.6
429.19711	0.3
430.19699	0.2
432.19998	0.2
434.21771	9.1
435.22101	0.3
539.35046	0.1
682.81171	0.2
760.41803	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	823.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	0.3
69.03426	1.6
69.64611	0.3
70.06593	2.7
71.05004	0.9
79.05449	0.7
80.05011	0.9
81.07058	1.8
82.06567	0.3
83.07339	0.2
84.08141	0.8
85.06490	0.2
91.05432	0.6
93.06996	0.7
94.06596	0.8
95.04915	0.4
95.08574	0.6
96.08098	0.6
97.02857	0.6
97.06513	0.3
97.08891	0.3
98.06024	0.2
98.22745	0.3
99.04425	0.3
105.07052	0.8
107.08604	1.1
108.08075	0.2
109.06524	0.9
109.08875	0.2
109.10184	0.2
109.64160	0.1
110.07184	0.1
110.09640	0.4
111.08086	1.3
117.06970	0.2
119.08517	0.4
120.08015	0.3
120.64514	0.1
121.06483	0.4
121.10049	0.2
122.07281	0.2
122.08933	0.2
122.09660	1.8
123.04359	0.2
123.08024	0.4
124.07520	0.2
124.08784	0.5
124.11181	0.5
125.05963	0.5
125.09599	0.2
127.03965	0.2
128.07001	0.3
128.46683	0.2
131.08543	0.3
133.10100	0.3
134.09613	0.6
135.08017	0.6
136.11201	1.0
137.04964	0.3
137.05971	5.1
143.08513	0.2
145.10040	0.4
146.09592	0.2
147.11629	0.2
148.07510	0.2
148.44046	0.2
149.05870	0.2
149.09613	0.3
150.09128	2.2
150.12724	0.2
151.07542	0.2
152.10655	0.6
153.05403	0.4
154.12265	0.3
160.11153	0.2
161.09616	0.4
162.12720	0.6
164.14413	0.2
165.09082	0.2
166.15891	1.2
168.10207	2.0
173.09619	0.3
174.12819	0.2
175.11172	0.4
176.14357	0.2
180.10155	0.3
181.08563	0.5
182.10205	0.3
182.11763	3.9
183.06419	0.5
184.13260	0.6
189.09061	0.4
190.12164	0.3
192.17451	0.2
194.15350	0.7
195.10748	0.2
198.11198	0.2
203.10469	0.2
205.12262	0.4
208.13367	0.2
218.15251	0.2
220.13359	0.2
221.11710	1.6
222.14836	0.2
228.24628	0.2
231.10022	0.2
234.14876	0.7
236.16437	3.7
246.18295	0.2
247.42949	0.2
260.12970	0.2
260.16180	0.1
262.18015	0.3
264.19482	1.5
268.06204	0.3
274.18103	0.2
276.16177	0.2
278.17358	0.3
290.17523	0.6
292.05786	0.4
292.19067	2.4
314.17432	0.3
316.19083	1.5
318.16919	1.1
320.05499	0.4
338.06671	0.3
340.18845	0.4
342.16925	0.6
360.18137	0.2
362.23285	0.4
370.20212	0.3
372.21631	0.5
388.21338	1.0
390.22729	100.0
391.23047	2.8
398.19348	0.2
416.20663	11.0
417.21085	0.3
434.21735	39.8
435.22058	1.0
710.54419	0.2
822.19550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47626	0.7
59.44332	0.5
67.05495	4.0
68.04992	1.2
69.03440	7.1
69.07032	1.7
69.40375	2.8
70.06597	3.7
71.04934	1.8
79.05482	3.9
79.96464	0.6
80.04959	2.5
81.03383	0.7
81.07060	5.1
82.06547	1.5
83.01337	3.3
83.04957	0.7
83.07315	1.5
84.08106	1.7
85.06519	0.7
86.06029	1.1
91.05482	2.8
91.05936	0.5
93.07038	2.9
94.06522	2.1
94.88200	0.6
95.04904	2.6
95.08546	2.5
96.04436	0.8
96.08151	3.4
96.08622	0.8
97.06475	1.1
98.06016	0.9
98.09660	1.0
99.04417	1.1
105.07037	3.6
106.06519	1.5
107.04892	2.7
107.08543	2.5
108.04400	0.6
108.08074	2.0
109.06463	2.4
109.10139	0.8
110.09609	2.1
111.08051	1.3
112.07586	0.7
114.12769	0.7
115.03886	1.0
117.06969	1.8
118.06490	0.9
119.04927	0.8
119.08529	2.1
120.08046	2.7
121.06464	1.8
122.09696	3.8
123.08041	1.0
123.11642	1.4
124.11291	3.0
125.05962	1.3
125.09638	0.7
126.09106	1.0
126.12762	0.6
127.03860	2.7
128.06169	1.1
128.10567	0.6
129.05432	1.1
129.06963	1.0
131.04878	0.7
131.08525	1.6
133.06454	1.2
134.09663	3.4
134.46931	0.6
135.07996	2.3
136.07533	1.0
136.11237	5.1
137.06032	2.9
137.09612	3.2
137.11897	0.5
138.09192	1.0
138.12779	3.9
139.07562	1.0
140.10635	2.5
141.05435	1.2
142.11221	0.8
142.12274	13.0
143.08511	1.0
145.06456	1.5
145.10106	1.4
145.85458	0.6
146.09546	1.3
147.07968	1.1
147.11635	0.8
148.07442	0.8
148.11157	1.7
149.05894	0.9
149.09584	0.8
150.09161	4.8
150.12750	3.1
151.07536	1.0
151.11131	1.8
152.10710	6.3
153.05414	1.3
154.05800	0.6
154.12297	3.0
155.03328	0.9
155.07034	1.5
155.08391	0.9
155.12584	0.6
157.04921	0.9
157.10075	1.1
159.08022	0.9
160.07466	0.8
160.11195	1.1
161.09607	1.3
162.12755	5.3
163.07487	1.0
163.11118	1.9
164.10742	2.9
164.14267	2.1
165.05397	2.0
165.09117	1.4
166.12247	2.1
167.06950	1.2
168.10226	3.6
170.11819	0.7
173.09613	1.2
174.12753	0.9
175.07489	1.0
176.14293	1.4
177.05464	0.8
178.12210	2.1
178.15863	1.2
179.10674	3.8
180.10155	1.0
181.08540	1.0
182.11809	5.5
183.06540	3.0
184.13260	1.2
185.09599	1.2
185.13571	0.7
187.07457	0.9
188.10738	1.8
188.14267	0.9
189.09026	1.7
189.12666	1.6
191.07025	0.7
192.13847	1.1
194.11705	0.9
195.06435	0.9
195.08072	0.8
196.13170	0.8
202.12180	2.0
204.13887	4.6
205.08556	0.7
206.15359	2.0
207.06586	0.7
208.13261	1.1
213.09010	1.3
214.14238	0.8
217.08609	1.2
217.15892	0.8
219.06512	0.8
219.10054	0.9
220.13329	9.0
220.16862	0.8
226.89500	0.6
230.15282	0.8
232.16962	2.2
234.14948	1.3
236.16423	3.3
237.16658	1.3
246.14862	3.7
247.09610	3.1
247.15128	1.7
248.16385	1.1
249.11136	1.4
250.17961	2.9
258.14951	1.0
260.16345	0.8
262.17923	1.3
263.09219	0.9
264.19629	0.8
273.11127	2.5
274.11395	0.9
275.12515	0.7
276.19501	1.2
278.17651	1.0
281.30728	0.7
290.17575	1.0
291.12256	2.4
314.17328	1.5
318.02658	0.6
318.17072	0.9
320.18597	5.1
321.18939	4.1
322.19244	1.3
344.18671	5.1
345.19067	2.9
346.19992	6.4
360.21933	0.7
370.20016	0.7
374.23386	1.9
386.19604	0.9
387.19812	0.7
388.21216	10.1
390.22424	0.7
392.24335	0.7
402.22711	2.6
404.20670	43.9
405.20993	23.3
406.22174	100.0
407.22275	3.1
408.23795	1.2
416.20572	6.5
418.22247	46.4
419.22574	53.4
420.19977	41.6
420.23782	33.4
421.20166	1.3
432.23975	0.8
436.23392	5.5
450.24692	3.9
590.37567	0.7
805.42609	0.9
823.43646	25.9
824.44293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.1
60.17201	0.2
67.05497	0.7
69.03424	0.7
69.35798	0.2
70.06583	0.9
71.10651	0.2
71.45972	0.2
79.05489	1.5
80.05043	0.3
81.07055	7.3
82.06577	0.6
84.08147	3.0
85.06619	0.2
91.05483	0.4
93.07056	1.2
94.06573	0.4
95.08603	0.7
96.08128	1.5
97.08931	1.3
98.09706	0.2
99.04459	0.2
105.07069	0.3
107.08595	0.3
108.08115	0.4
109.06521	2.5
110.09684	2.9
111.04440	0.2
121.10149	0.7
122.09661	0.7
123.04421	0.2
123.10419	0.3
124.11235	0.3
134.09644	0.3
135.08026	0.2
136.11220	4.1
137.05975	6.8
137.11974	0.2
138.12775	19.1
139.07571	0.2
139.13196	0.3
148.11229	0.3
150.09135	0.2
150.12791	2.3
151.13560	2.9
162.12778	0.7
164.14343	5.6
165.14995	0.3
167.07028	0.3
168.10219	0.3
174.12791	0.2
176.14337	0.5
182.11757	0.5
183.35025	0.2
190.15910	0.2
192.17514	0.4
194.11740	0.3
196.13371	0.2
207.06369	0.2
209.89374	0.2
216.13969	0.3
218.15614	0.2
222.14952	0.4
232.22981	0.2
236.16531	1.0
237.17160	0.3
238.17963	0.3
246.15015	0.6
262.18024	4.5
300.19574	2.0
315.39365	0.2
334.20139	0.3
344.18604	0.5
356.22266	0.5
368.44766	0.2
374.23245	100.0
375.23578	3.1
418.22189	0.5
432.23846	1.2
450.24954	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	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.6
67.05499	2.0
69.03425	1.3
70.17962	1.0
73.23283	0.4
75.04464	1.8
77.03914	0.8
78.04699	1.8
79.05486	3.6
81.03395	1.3
81.07048	3.5
84.08120	1.3
85.02905	6.1
85.08514	0.4
89.03903	0.7
89.06027	0.6
90.04691	0.4
91.05475	6.7
93.03403	5.8
93.07042	2.9
95.04974	3.6
95.08598	0.5
96.08100	0.5
97.02884	1.3
97.06530	2.0
97.08885	0.7
98.23354	0.6
103.05466	11.3
105.03385	1.3
105.04507	1.4
105.07038	4.1
106.04174	10.4
107.04956	5.8
107.08606	0.5
109.02907	0.5
109.06503	2.0
110.03735	0.5
110.09671	1.2
111.04443	0.8
115.05459	2.8
117.03394	0.6
117.07031	2.5
118.04150	1.6
119.04914	1.3
119.08569	0.4
120.05679	0.6
121.06509	13.1
121.10129	0.6
122.09658	0.4
123.04437	2.7
124.05220	1.1
125.05997	5.0
127.03913	0.5
129.06932	0.6
130.04099	0.5
131.04922	11.0
132.05688	0.9
133.02834	1.2
133.06480	5.2
134.03616	1.8
135.04379	0.6
135.08049	0.7
136.05212	0.4
136.11206	2.3
137.05965	5.6
138.03056	0.5
138.12773	8.9
139.07539	1.6
139.13138	1.2
141.06940	0.6
143.04955	0.7
144.05682	0.9
145.04970	0.7
145.06467	3.0
147.04402	0.7
147.08037	1.7
148.05180	5.5
149.05977	21.3
150.12810	1.1
151.03911	1.6
151.07533	1.6
151.13580	1.0
152.04703	1.0
153.05464	3.7
153.09097	5.9
155.06030	0.7
156.05777	0.4
157.06516	0.5
159.04398	0.5
159.08054	1.3
160.05235	0.7
161.05991	4.6
162.12781	0.6
163.03915	1.2
163.07532	12.2
164.14337	2.5
165.05391	1.0
165.14722	0.7
166.06311	0.8
167.07039	31.0
168.07422	0.6
171.06570	1.9
173.05992	3.0
174.06784	0.4
175.07507	1.4
176.04683	1.0
177.03926	0.8
177.05478	13.8
177.09082	0.5
178.06145	0.6
179.07033	0.9
180.08746	0.5
181.04956	34.6
181.08556	11.7
182.05289	0.5
187.07507	2.0
189.05363	0.9
190.06168	0.8
191.07030	45.5
192.07352	0.9
193.04933	0.8
193.08611	2.6
195.06523	2.4
201.05360	0.7
202.06218	0.5
203.06956	1.0
205.08632	2.3
207.06509	1.4
207.08278	0.7
207.10172	1.2
209.08083	100.0
210.08424	1.6
210.18640	0.4
217.08543	1.7
219.08112	0.9
219.10178	2.1
225.07455	0.7
231.06526	0.6
233.08054	2.5
235.07559	0.8
235.09654	3.8
245.08038	0.9
257.08176	0.5
262.18094	2.1
263.09167	14.1
263.18378	0.8
265.08560	0.5
267.10135	1.2
279.10120	0.7
282.08813	0.4
283.24359	0.6
292.07208	0.6
295.09619	0.6
297.11407	1.0
300.19510	1.1
301.19745	0.5
302.25482	0.5
307.09674	0.8
325.10669	1.6
327.12506	0.5
331.11746	0.7
357.13339	3.1
357.23047	0.5
359.14832	0.6
367.11783	1.0
369.13400	0.9
374.23254	37.1
375.23587	23.4
385.12793	5.1
387.14413	0.7
399.14420	2.1
417.15463	17.4
417.21201	0.9
450.24683	1.8
451.25565	1.2
609.23413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.6
67.05499	2.0
69.03425	1.3
70.17962	1.0
73.23283	0.4
75.04464	1.8
77.03914	0.8
78.04699	1.8
79.05486	3.6
81.03395	1.3
81.07048	3.5
84.08120	1.3
85.02905	6.1
85.08514	0.4
89.03903	0.7
89.06027	0.6
90.04691	0.4
91.05475	6.7
93.03403	5.8
93.07042	2.9
95.04974	3.6
95.08598	0.5
96.08100	0.5
97.02884	1.3
97.06530	2.0
97.08885	0.7
98.23354	0.6
103.05466	11.3
105.03385	1.3
105.04507	1.4
105.07038	4.1
106.04174	10.4
107.04956	5.8
107.08606	0.5
109.02907	0.5
109.06503	2.0
110.03735	0.5
110.09671	1.2
111.04443	0.8
115.05459	2.8
117.03394	0.6
117.07031	2.5
118.04150	1.6
119.04914	1.3
119.08569	0.4
120.05679	0.6
121.06509	13.1
121.10129	0.6
122.09658	0.4
123.04437	2.7
124.05220	1.1
125.05997	5.0
127.03913	0.5
129.06932	0.6
130.04099	0.5
131.04922	11.0
132.05688	0.9
133.02834	1.2
133.06480	5.2
134.03616	1.8
135.04379	0.6
135.08049	0.7
136.05212	0.4
136.11206	2.3
137.05965	5.6
138.03056	0.5
138.12773	8.9
139.07539	1.6
139.13138	1.2
141.06940	0.6
143.04955	0.7
144.05682	0.9
145.04970	0.7
145.06467	3.0
147.04402	0.7
147.08037	1.7
148.05180	5.5
149.05977	21.3
150.12810	1.1
151.03911	1.6
151.07533	1.6
151.13580	1.0
152.04703	1.0
153.05464	3.7
153.09097	5.9
155.06030	0.7
156.05777	0.4
157.06516	0.5
159.04398	0.5
159.08054	1.3
160.05235	0.7
161.05991	4.6
162.12781	0.6
163.03915	1.2
163.07532	12.2
164.14337	2.5
165.05391	1.0
165.14722	0.7
166.06311	0.8
167.07039	31.0
168.07422	0.6
171.06570	1.9
173.05992	3.0
174.06784	0.4
175.07507	1.4
176.04683	1.0
177.03926	0.8
177.05478	13.8
177.09082	0.5
178.06145	0.6
179.07033	0.9
180.08746	0.5
181.04956	34.6
181.08556	11.7
182.05289	0.5
187.07507	2.0
189.05363	0.9
190.06168	0.8
191.07030	45.5
192.07352	0.9
193.04933	0.8
193.08611	2.6
195.06523	2.4
201.05360	0.7
202.06218	0.5
203.06956	1.0
205.08632	2.3
207.06509	1.4
207.08278	0.7
207.10172	1.2
209.08083	100.0
210.08424	1.6
210.18640	0.4
217.08543	1.7
219.08112	0.9
219.10178	2.1
225.07455	0.7
231.06526	0.6
233.08054	2.5
235.07559	0.8
235.09654	3.8
245.08038	0.9
257.08176	0.5
262.18094	2.1
263.09167	14.1
263.18378	0.8
265.08560	0.5
267.10135	1.2
279.10120	0.7
282.08813	0.4
283.24359	0.6
292.07208	0.6
295.09619	0.6
297.11407	1.0
300.19510	1.1
301.19745	0.5
302.25482	0.5
307.09674	0.8
325.10669	1.6
327.12506	0.5
331.11746	0.7
357.13339	3.1
357.23047	0.5
359.14832	0.6
367.11783	1.0
369.13400	0.9
374.23254	37.1
375.23587	23.4
385.12793	5.1
387.14413	0.7
399.14420	2.1
417.15463	17.4
417.21201	0.9
450.24683	1.8
451.25565	1.2
609.23413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	4.0
61.02925	3.2
65.03945	3.7
67.05505	76.3
69.03428	10.4
69.07066	29.9
70.10069	1.2
71.04993	13.1
71.08652	1.3
71.46053	1.8
71.91037	1.3
77.03938	1.6
79.05495	51.1
81.03418	78.0
81.07056	70.5
83.04987	14.4
83.08620	31.6
85.02914	9.5
85.06542	7.0
87.04472	2.6
91.05479	46.1
93.07043	46.4
95.04963	32.5
95.05522	2.4
95.08604	31.8
97.02894	4.7
97.06530	27.5
97.10167	15.9
99.04456	1.9
99.08106	3.0
103.03947	1.9
105.04549	2.6
105.07030	39.7
107.04937	14.0
107.08595	35.7
109.02922	2.3
109.06517	13.0
109.10152	39.7
111.04456	2.8
111.08082	13.7
113.06042	1.8
115.07580	4.6
117.07013	14.6
119.05004	1.7
119.08588	35.8
121.06483	10.0
121.10142	23.1
123.04430	2.3
123.08079	7.6
123.11733	6.2
125.09622	16.4
127.03926	3.9
128.06218	2.2
129.06995	15.0
131.04941	1.6
131.08560	30.2
133.06511	5.0
133.10123	29.0
135.08047	8.5
135.11708	11.7
137.05980	2.7
137.09608	4.6
139.11125	2.6
141.07002	3.8
142.07784	4.3
143.08540	8.1
145.06490	4.2
145.10129	21.0
147.08044	6.4
147.11685	22.3
149.09625	15.0
149.13220	8.3
151.11153	3.7
153.09111	2.9
155.08601	5.7
155.10667	2.6
157.10100	19.1
159.08049	4.2
159.11679	15.1
161.09677	4.3
161.13216	3.1
163.07457	1.7
163.11174	9.6
165.12805	4.3
169.10072	3.5
171.11710	5.8
173.09679	2.6
173.11758	10.9
173.13260	5.5
175.11200	13.1
177.09157	2.1
177.12791	3.4
181.10211	2.3
181.12071	1.6
183.11684	2.5
183.54059	1.4
185.13304	3.6
187.11226	4.3
189.09283	1.3
189.11214	7.8
189.12758	2.9
191.10793	2.6
193.12234	28.6
195.11736	1.6
195.13843	4.1
197.13316	3.5
199.11200	3.7
199.13153	2.1
199.14845	2.6
203.14323	2.8
205.12338	2.5
211.13293	4.5
213.12830	2.1
215.10817	1.7
215.14316	1.6
217.15880	6.1
223.13237	1.6
227.12741	13.0
229.14325	34.8
233.15503	1.8
249.14755	3.3
253.14328	2.0
255.15952	1.9
257.18942	3.4
267.15909	100.0
269.17499	16.1
271.16992	1.6
273.18491	8.7
275.20035	22.0
285.16965	3.4
289.17935	2.2
291.19595	4.8
293.21140	4.9
299.20038	2.2
301.16525	3.6
309.16895	1.7
329.20825	1.6
347.22113	3.6
349.23764	18.2
351.23163	3.4
365.23236	2.1
367.24881	16.9
369.24280	5.6
387.25208	4.2
387.83167	1.5
392.58087	1.6
403.24847	2.5
405.26431	2.3
421.25781	33.4
423.27377	3.4
443.27850	12.6
447.27292	8.6
447.34009	1.4
449.30112	3.3
461.28998	73.0
462.29205	3.7
465.28320	6.3
467.31445	3.1
475.30698	3.1
477.28448	3.3
479.30139	9.7
483.30728	1.8
493.31607	36.0
495.29648	1.8
501.32187	3.8
519.33032	2.5
523.34351	3.0
541.35248	60.0
542.35748	1.6
555.32794	1.6
559.36340	68.2
560.36432	2.5
569.30865	2.0
573.37286	2.4
587.32025	3.1
591.36725	3.4
609.35803	2.5
623.33771	2.2
824.42487	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	4.7
67.05508	100.0
69.03428	10.3
69.06707	3.5
69.07069	40.2
71.04982	5.3
79.05502	74.2
81.03420	8.5
81.07063	96.3
83.04988	8.3
83.08628	17.9
85.02902	7.3
85.06558	4.0
91.05486	58.7
93.07048	80.9
95.04958	18.9
95.08022	3.8
95.08612	69.3
97.02887	5.0
97.06529	11.0
97.10176	14.8
98.23540	3.2
105.04527	3.4
105.07037	45.1
107.04958	7.1
107.08601	63.6
109.06505	9.5
109.10157	30.5
110.40131	2.3
111.08090	4.9
111.11713	2.5
117.07024	17.5
119.08582	41.4
121.06540	4.0
121.10157	30.7
123.08034	6.4
123.11728	6.9
125.09653	14.8
127.03915	4.7
129.07016	4.7
131.08572	30.3
133.10135	31.7
135.08025	5.6
135.11705	18.2
137.09592	3.3
141.06912	2.7
143.08568	9.9
145.10133	23.5
146.32236	2.5
147.11696	20.9
149.09596	11.0
149.13300	9.9
151.11159	3.6
157.10153	7.3
159.11719	18.1
161.13275	8.8
163.11215	9.2
163.14815	4.1
169.10138	3.9
171.11702	4.7
173.13260	6.3
175.14781	4.4
177.16373	3.1
179.14133	2.8
181.12236	2.3
183.11707	3.7
185.13292	8.0
187.14847	3.1
189.11223	5.6
195.13768	2.5
197.13260	3.9
199.14818	3.1
203.14412	3.0
219.17535	4.0
227.12796	15.8
229.14360	5.6
239.17911	4.7
243.21135	2.9
247.20457	3.0
255.16000	2.5
257.19043	9.8
259.20425	3.4
261.22116	9.6
267.15939	3.2
269.17398	6.3
273.18607	2.5
275.20053	49.6
275.26877	2.6
293.21021	4.8
297.81863	3.1
331.22479	4.3
333.23975	3.5
335.25815	90.0
349.23727	37.4
367.25076	3.0
489.35706	9.9
505.35452	3.3
515.36884	3.7
529.38751	7.4
569.42291	6.4
607.18829	2.5
609.45117	46.7
627.45898	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	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.4
65.03943	2.8
67.05508	37.9
69.03422	1.5
69.07074	12.2
71.04987	2.0
73.02906	1.1
77.03918	1.2
79.05038	1.8
79.05498	31.4
81.03400	1.4
81.07059	32.3
83.05022	1.1
83.08641	5.5
85.02901	2.2
85.06538	0.9
91.03953	1.4
91.05486	35.2
93.07048	36.3
94.82650	0.8
95.04971	4.5
95.08020	1.5
95.08612	27.5
97.02903	1.4
97.06530	2.8
97.10185	3.0
99.08109	1.5
99.31192	0.9
101.45787	0.8
103.05505	1.2
105.04514	2.1
105.07034	32.9
107.04980	1.8
107.08602	15.9
109.06531	1.4
109.10172	11.9
111.08091	2.0
115.05446	2.4
117.07021	16.9
119.08579	25.0
121.06470	0.8
121.10156	14.0
123.08073	1.2
123.11709	3.5
125.09642	1.2
128.06255	2.9
129.05495	0.9
129.06996	12.3
130.07773	2.3
131.08572	18.7
133.06548	1.0
133.10129	16.5
135.08020	1.2
135.11705	8.2
137.09589	1.2
137.13284	1.5
141.06998	3.1
142.07806	3.3
143.08563	11.5
145.10129	20.7
145.85310	0.7
147.11699	14.0
149.09573	1.2
149.13264	4.3
151.14934	0.9
154.07788	1.1
155.08539	8.9
156.09361	1.1
157.10136	13.0
159.11693	13.6
161.13313	6.2
163.14841	2.2
167.08607	2.7
168.09344	1.3
169.10118	9.8
170.10847	1.1
171.11702	12.2
173.13255	8.8
175.11214	1.1
175.14830	3.8
177.16367	1.0
179.08566	1.5
180.09285	1.0
181.10150	5.5
182.10921	1.0
183.11716	8.2
184.07368	0.9
184.12460	1.0
185.13258	8.9
187.14838	4.6
189.16396	2.3
193.10159	1.5
195.11673	4.9
197.13271	7.1
199.11272	1.0
199.14870	5.1
201.16367	2.0
203.17976	0.9
207.11783	1.8
208.12433	1.0
209.13303	5.6
211.14743	5.2
213.16429	2.5
215.18082	1.9
219.17458	0.9
221.13268	2.3
223.14816	3.3
225.12582	0.8
225.16357	2.9
227.16148	1.0
227.18089	2.0
235.14793	1.4
237.16368	3.6
239.18008	3.1
241.17595	1.2
241.19562	2.3
249.16441	1.4
251.17955	1.3
257.19022	5.2
259.20532	5.2
261.22092	1.4
263.17831	1.1
265.19501	1.4
277.19373	0.9
279.20959	1.2
293.52609	0.8
295.20239	1.2
297.22186	1.6
309.21857	1.1
311.23639	1.0
315.23196	1.5
323.23615	1.4
325.25165	1.5
331.22797	1.6
333.24310	5.4
335.25656	2.7
337.25281	1.8
339.23138	1.2
339.26877	1.1
341.24689	1.2
342.23154	0.9
351.26657	2.3
363.26929	1.3
365.28580	2.0
369.84006	1.0
379.30127	1.8
395.29523	1.3
409.31390	1.2
421.30615	1.1
435.32584	1.0
447.32437	2.3
453.33401	1.3
465.33810	0.9
473.32571	1.2
487.34668	1.0
495.34860	0.9
499.39825	1.4
501.35583	1.9
513.36047	1.3
515.38373	1.2
517.40417	9.4
521.36316	1.5
527.37079	2.0
535.41626	4.2
539.36932	2.6
540.38129	2.2
591.44171	9.2
609.45142	100.0
610.45166	3.1
735.47870	1.3
753.48920	1.7
771.50714	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05015	2.4
61.02916	3.7
65.03924	3.0
67.05505	85.1
69.03442	8.6
69.06706	2.2
69.07063	28.2
71.04984	4.7
73.06557	1.7
79.05042	3.3
79.05492	61.0
79.49832	1.5
81.03405	7.4
81.07058	89.7
83.04964	6.6
83.08623	12.2
85.02894	4.8
85.06557	3.7
91.03967	1.7
91.05476	48.5
93.07041	71.6
95.04976	10.8
95.08604	57.9
95.09217	2.5
97.02879	6.2
97.06544	8.5
97.10157	6.8
99.08082	5.5
105.04513	4.1
105.07025	35.4
105.67457	1.5
107.04949	4.5
107.08593	38.6
107.64348	1.3
109.02919	1.5
109.06511	6.0
109.10152	28.0
111.08085	4.1
112.78518	1.5
115.05413	1.6
117.07010	18.9
119.08582	28.2
121.06524	4.3
121.10146	33.6
123.08063	3.4
123.11691	6.6
125.09606	4.0
127.03916	3.5
128.06238	2.6
129.05492	1.9
129.07013	8.5
130.07787	1.8
131.08571	26.6
133.10132	23.2
134.84294	1.4
135.08020	4.0
135.11679	18.7
137.09599	3.9
139.11185	1.7
141.06940	3.4
143.08551	4.9
145.10126	21.9
147.07997	2.3
147.11687	16.3
149.09619	6.3
149.13260	11.4
151.11253	2.0
155.08479	2.6
157.10075	5.6
159.11714	16.6
161.09569	1.6
161.13263	7.2
163.11136	2.6
163.14833	3.7
163.89607	1.3
165.12730	2.0
169.10146	2.2
171.11652	4.8
173.04436	2.7
173.11809	2.9
173.13190	10.4
175.11191	2.4
177.12756	2.4
181.10153	1.9
183.11674	4.2
184.07254	3.7
185.13258	5.9
187.14824	4.4
188.16603	1.6
197.13161	2.0
199.14685	1.9
201.16312	1.9
213.16435	2.1
217.15971	2.7
219.17468	3.3
227.12738	2.2
229.14322	8.3
229.19525	2.4
239.17831	2.8
243.20961	2.8
255.15778	2.8
257.19083	7.4
259.20520	1.7
261.22180	7.8
267.15878	1.8
269.17484	13.3
275.20065	24.9
291.19479	3.1
293.21185	2.3
309.20587	8.6
317.24841	2.3
331.22736	3.4
335.25790	100.0
336.26373	2.4
349.23685	19.5
367.24689	2.2
489.35706	7.8
515.37488	6.9
529.38898	37.5
543.40277	3.5
569.42108	21.0
609.45038	24.7
627.46069	7.1
645.26520	1.7
657.22870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.3
69.08073	2.2
69.08492	2.7
71.04993	0.9
75.27803	0.7
75.62425	0.7
79.05515	1.0
81.03423	1.3
81.07066	1.8
81.81959	0.7
105.07062	1.0
107.08639	0.9
109.10204	1.1
110.06075	0.9
117.15258	0.7
128.24158	0.7
131.08609	0.7
159.06296	0.6
179.70937	0.7
184.07268	0.8
249.15457	0.9
389.08490	1.2
393.86246	0.8
504.42316	0.8
506.07541	0.9
514.18341	1.5
597.26648	2.2
598.27216	0.9
599.43030	0.8
637.32068	1.1
655.27271	100.0
656.27887	6.6
683.30420	3.5
711.30054	2.2
721.37823	5.0
767.75201	0.8
793.48627	1.1
825.37128	10.4
825.48456	1.7
826.49457	1.4
857.55981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4031
Annotation	Vincristine
Peak:m/z	Relative Intensity
59.05010	0.8
60.04532	1.1
66.58231	0.6
67.05504	7.0
69.03427	1.9
69.07069	2.1
69.77628	1.3
69.78011	1.6
70.06587	1.3
73.02914	0.9
79.05496	2.5
81.03432	4.0
81.07057	3.9
83.04989	1.2
83.08624	2.1
85.02896	2.0
88.70956	0.6
91.05489	2.9
92.05798	0.7
93.07050	2.4
95.04955	2.0
95.08619	2.4
97.02935	1.0
99.31214	0.8
105.07066	2.0
107.04956	1.2
107.08600	2.4
109.10163	4.7
110.10461	1.1
111.08095	1.0
119.08607	1.1
120.09009	0.7
121.10151	1.3
125.09612	0.8
127.03967	0.7
129.06969	1.2
131.08636	0.8
133.10118	1.2
135.11673	0.8
147.11697	1.3
157.10165	0.9
163.11234	0.8
173.11725	1.1
189.20537	0.7
193.12231	1.7
194.12659	0.9
211.13304	1.2
229.14404	3.1
267.16068	1.3
283.15363	1.4
284.15808	0.8
285.16983	1.3
314.81274	0.7
400.24240	0.9
413.17807	1.4
439.27112	1.5
440.26959	1.1
511.29880	0.7
610.36652	1.6
655.28900	9.3
825.40247	100.0
826.40784	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	825.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.5
69.03428	1.7
69.07056	0.2
70.06585	0.5
71.04986	0.5
79.05488	0.2
80.05018	0.5
81.03439	0.2
81.07068	0.4
83.01359	0.1
83.04992	0.2
84.08145	0.3
85.02910	0.1
85.06553	0.8
86.06052	0.4
91.05484	0.4
93.07043	0.5
94.06057	0.1
94.06564	0.6
95.04964	0.5
95.08620	0.2
95.97631	0.1
96.08109	0.2
97.06534	0.2
98.06068	0.4
99.04457	0.4
105.07029	0.4
105.87264	0.1
106.06558	0.2
107.08598	0.2
108.08142	0.2
109.06519	0.5
110.09660	0.3
111.04427	0.1
111.08080	2.5
112.07593	0.4
113.63966	0.1
116.21900	0.1
117.07037	0.2
119.08589	0.2
120.08108	0.5
121.06487	0.2
122.09666	0.6
123.04465	0.1
123.08042	0.1
124.11247	0.2
125.05953	0.2
127.03904	0.5
127.07513	0.1
128.06198	0.2
131.08566	0.2
132.08138	0.1
133.06450	0.2
133.08871	0.2
134.09654	0.6
136.07617	0.2
136.11214	1.0
137.06004	0.6
138.09137	1.1
138.12740	0.1
139.07544	0.3
140.10744	0.3
141.05548	0.2
142.12294	0.2
143.08609	0.2
144.08078	0.3
145.08939	0.1
145.10139	0.2
146.09666	0.2
148.07552	0.1
148.11188	0.3
149.05946	0.1
150.09145	0.4
151.03926	0.3
151.07587	0.1
152.10681	0.8
153.05481	0.1
153.11497	0.9
154.12268	0.4
155.03427	0.4
155.07022	0.7
158.09666	0.3
160.11243	0.5
161.09636	0.1
162.09187	0.5
162.12823	0.3
163.09891	0.2
164.10689	0.2
164.14432	0.2
164.78830	0.1
165.05486	0.8
166.12300	0.7
166.15950	0.5
167.07143	0.2
168.10274	0.2
170.09589	0.1
172.11215	0.5
173.09610	0.2
174.12811	0.2
176.10820	0.1
176.14337	0.4
178.12325	0.2
178.15900	0.6
179.07133	0.2
179.10712	0.2
180.10202	0.3
180.13860	0.2
181.08656	0.2
181.10985	0.2
182.11749	0.3
183.06531	2.8
184.11169	0.1
186.12807	0.2
187.13545	0.8
188.10776	0.2
188.14336	1.5
192.13809	0.2
194.11821	0.4
195.16219	0.1
197.08141	0.3
204.13768	0.7
205.12364	0.1
205.14604	0.3
206.15417	1.0
207.06537	0.1
210.12695	0.1
214.15842	0.8
215.16568	0.1
216.10223	0.1
216.17494	0.3
218.11868	0.4
218.15254	0.1
221.11847	0.3
222.14935	0.3
223.13321	0.1
224.16428	1.2
231.10295	0.2
232.17001	0.4
236.12776	0.2
236.16341	0.1
237.11357	0.2
240.13966	0.1
240.17535	0.2
242.15367	0.2
244.16951	0.1
249.11142	0.2
250.12190	0.2
250.18024	0.8
254.11905	0.2
254.15585	0.3
258.11295	0.1
260.16458	0.4
262.18130	0.2
264.17450	0.2
264.26431	0.1
266.14008	0.3
266.18982	0.2
267.12421	0.2
268.13461	0.2
268.16797	0.1
269.14340	0.1
272.12546	0.1
278.17563	0.5
282.14752	0.2
290.17511	3.0
292.16760	0.3
294.13583	0.2
294.18521	0.4
295.12631	0.1
296.16513	0.6
308.18539	2.9
310.17960	0.6
311.18835	0.5
314.17490	0.7
322.14243	0.1
324.19574	0.4
326.21292	0.4
328.15375	0.3
332.18530	0.2
337.16721	0.2
342.20627	0.4
345.13055	0.4
352.19046	0.5
360.21942	0.3
370.20163	2.2
388.21039	1.4
390.22711	0.4
391.19357	0.2
391.23679	0.2
392.24295	2.6
393.24854	0.1
404.20728	0.5
405.20944	0.4
406.22250	100.0
407.22571	3.4
420.20181	3.2
421.20407	0.2
422.21231	0.1
434.22336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01849	0.4
67.05499	1.0
68.05029	1.2
69.03428	1.2
69.07068	0.3
69.32005	1.1
70.06580	0.6
71.05001	0.8
71.08608	0.6
79.05495	0.9
80.05032	0.3
81.07054	1.1
82.06582	0.8
83.01339	0.6
83.04989	0.5
85.06592	0.3
86.06080	0.3
91.05482	1.7
93.07058	1.5
94.06571	0.7
95.04965	1.0
95.08649	0.5
97.02882	0.3
99.04478	0.9
99.08131	0.4
100.11207	0.2
105.07027	0.9
106.06560	0.4
107.08619	0.4
108.08117	0.3
109.06488	0.6
110.09657	0.3
111.08104	0.7
114.12849	0.3
115.05484	0.6
117.07017	0.9
118.06534	0.3
119.04948	0.6
119.08594	1.2
120.08134	0.5
121.06541	0.6
122.09659	0.5
123.08118	0.3
124.11218	4.0
125.05968	0.4
125.09644	0.3
126.11430	0.3
126.12695	0.2
127.03880	0.7
128.06207	0.7
129.06998	0.4
130.06490	0.6
131.08575	2.9
133.06485	0.4
133.10149	0.4
134.09669	0.5
135.08070	1.1
135.10416	0.4
136.11232	0.9
137.06029	0.3
137.09610	0.3
139.07564	0.5
140.10736	0.7
141.06950	0.8
142.12265	2.9
143.07280	0.3
143.08543	0.6
144.05748	0.4
144.08069	0.4
145.06473	0.5
145.10107	0.7
146.09521	0.2
147.08052	0.4
148.05145	0.3
149.09698	0.2
150.09183	0.5
152.10706	0.6
153.09148	0.7
154.12268	0.7
155.03368	0.3
155.07127	0.4
157.39919	0.2
158.09679	0.4
159.08052	2.3
160.08830	0.8
162.12822	0.6
163.07542	1.8
163.11232	1.0
164.14395	0.5
167.07092	0.4
171.08060	0.4
172.11319	0.3
173.09625	2.8
175.11153	1.7
176.14233	0.4
177.05505	0.3
177.09232	0.3
179.07076	0.3
182.11807	0.8
183.06570	0.6
186.12830	0.8
187.07532	1.6
187.13608	0.3
188.08379	0.4
188.14375	0.4
191.07011	3.3
191.10709	0.4
201.09177	0.5
203.10754	0.4
204.13719	0.4
206.15422	0.9
214.15886	1.2
215.10681	0.4
218.09592	0.3
218.11673	0.4
219.10229	0.9
221.11948	0.3
222.09163	0.3
232.16942	0.3
236.10750	0.3
237.11488	0.3
242.15518	0.3
247.09715	0.4
250.18034	1.7
254.11859	0.5
255.71454	0.2
260.16547	1.0
261.77191	0.2
262.08572	0.3
262.18240	0.4
264.17581	0.5
266.11719	0.3
266.18939	0.3
278.17587	0.8
282.14932	0.6
290.17529	1.8
292.16953	1.0
294.18439	1.7
296.16452	0.4
297.17194	1.4
308.18570	0.5
309.17209	0.4
322.14401	0.4
323.15985	0.2
324.19620	1.5
326.21082	1.7
331.17810	0.3
332.15051	0.8
338.17303	0.4
342.20584	0.6
352.19022	3.5
360.21912	1.1
361.80612	0.3
370.20093	1.2
388.21161	16.7
389.21451	0.6
390.22806	0.7
392.20343	0.2
392.24280	10.7
406.22260	100.0
407.22531	2.3
416.20990	0.5
420.20163	7.6
421.20526	0.4
434.22693	1.8
825.45996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01849	0.4
67.05499	1.0
68.05029	1.2
69.03428	1.2
69.07068	0.3
69.32005	1.1
70.06580	0.6
71.05001	0.8
71.08608	0.6
79.05495	0.9
80.05032	0.3
81.07054	1.1
82.06582	0.8
83.01339	0.6
83.04989	0.5
85.06592	0.3
86.06080	0.3
91.05482	1.7
93.07058	1.5
94.06571	0.7
95.04965	1.0
95.08649	0.5
97.02882	0.3
99.04478	0.9
99.08131	0.4
100.11207	0.2
105.07027	0.9
106.06560	0.4
107.08619	0.4
108.08117	0.3
109.06488	0.6
110.09657	0.3
111.08104	0.7
114.12849	0.3
115.05484	0.6
117.07017	0.9
118.06534	0.3
119.04948	0.6
119.08594	1.2
120.08134	0.5
121.06541	0.6
122.09659	0.5
123.08118	0.3
124.11218	4.0
125.05968	0.4
125.09644	0.3
126.11430	0.3
126.12695	0.2
127.03880	0.7
128.06207	0.7
129.06998	0.4
130.06490	0.6
131.08575	2.9
133.06485	0.4
133.10149	0.4
134.09669	0.5
135.08070	1.1
135.10416	0.4
136.11232	0.9
137.06029	0.3
137.09610	0.3
139.07564	0.5
140.10736	0.7
141.06950	0.8
142.12265	2.9
143.07280	0.3
143.08543	0.6
144.05748	0.4
144.08069	0.4
145.06473	0.5
145.10107	0.7
146.09521	0.2
147.08052	0.4
148.05145	0.3
149.09698	0.2
150.09183	0.5
152.10706	0.6
153.09148	0.7
154.12268	0.7
155.03368	0.3
155.07127	0.4
157.39919	0.2
158.09679	0.4
159.08052	2.3
160.08830	0.8
162.12822	0.6
163.07542	1.8
163.11232	1.0
164.14395	0.5
167.07092	0.4
171.08060	0.4
172.11319	0.3
173.09625	2.8
175.11153	1.7
176.14233	0.4
177.05505	0.3
177.09232	0.3
179.07076	0.3
182.11807	0.8
183.06570	0.6
186.12830	0.8
187.07532	1.6
187.13608	0.3
188.08379	0.4
188.14375	0.4
191.07011	3.3
191.10709	0.4
201.09177	0.5
203.10754	0.4
204.13719	0.4
206.15422	0.9
214.15886	1.2
215.10681	0.4
218.09592	0.3
218.11673	0.4
219.10229	0.9
221.11948	0.3
222.09163	0.3
232.16942	0.3
236.10750	0.3
237.11488	0.3
242.15518	0.3
247.09715	0.4
250.18034	1.7
254.11859	0.5
255.71454	0.2
260.16547	1.0
261.77191	0.2
262.08572	0.3
262.18240	0.4
264.17581	0.5
266.11719	0.3
266.18939	0.3
278.17587	0.8
282.14932	0.6
290.17529	1.8
292.16953	1.0
294.18439	1.7
296.16452	0.4
297.17194	1.4
308.18570	0.5
309.17209	0.4
322.14401	0.4
323.15985	0.2
324.19620	1.5
326.21082	1.7
331.17810	0.3
332.15051	0.8
338.17303	0.4
342.20584	0.6
352.19022	3.5
360.21912	1.1
361.80612	0.3
370.20093	1.2
388.21161	16.7
389.21451	0.6
390.22806	0.7
392.20343	0.2
392.24280	10.7
406.22260	100.0
407.22531	2.3
416.20990	0.5
420.20163	7.6
421.20526	0.4
434.22693	1.8
825.45996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	0.9
61.02930	3.7
63.62341	0.5
65.73064	0.5
67.05502	5.3
69.03424	3.4
69.07084	2.1
70.06606	1.1
71.05006	1.7
73.02918	3.3
79.05484	4.1
81.03421	6.7
81.07062	5.0
83.05000	1.8
83.08185	0.5
83.08649	2.2
85.02899	4.1
85.06551	0.6
87.04486	0.9
91.03988	2.7
91.05482	4.4
93.07062	4.7
95.05000	2.3
95.08636	2.6
97.02899	3.6
97.06579	1.9
97.10193	1.3
99.04422	0.9
101.02399	0.9
105.07047	3.7
107.04990	1.5
107.08636	2.7
109.02913	1.2
109.06490	0.6
109.10192	1.9
111.08133	0.8
112.94989	0.6
113.09799	0.7
115.03940	0.7
117.07042	0.8
119.08608	2.2
121.06517	1.2
121.10194	2.7
122.37347	0.7
123.08089	1.4
125.09666	1.1
127.03938	1.7
129.05498	1.3
129.07021	1.8
131.08612	2.4
133.10182	2.1
135.08069	0.7
135.11710	1.3
145.10153	1.3
147.08105	0.9
147.11729	0.8
149.09683	1.8
157.10184	1.6
173.09846	0.6
175.11234	1.4
181.12386	0.7
185.04333	1.5
187.11253	0.6
193.12331	2.3
211.13374	0.8
221.11584	1.1
241.07071	0.7
243.08432	6.2
254.81374	0.6
267.16046	2.6
283.15207	5.1
301.09003	5.8
309.16809	1.7
312.67480	0.6
315.10696	2.4
323.18515	1.3
339.18085	0.7
347.18320	0.9
351.02972	0.6
355.13565	0.8
369.15512	2.3
371.16882	1.3
373.11273	1.9
381.19177	2.4
385.18640	2.4
399.20383	0.8
427.19745	2.6
429.17453	0.9
439.19449	5.3
451.19751	1.9
465.28198	0.8
467.18875	1.5
469.20615	2.0
499.21457	1.9
501.23129	20.9
517.21973	0.8
529.22473	3.4
573.25299	7.3
583.27136	0.7
587.26959	1.7
601.28040	1.8
613.85370	0.7
615.30457	2.0
629.31335	6.0
643.33759	1.2
667.33197	0.9
699.35602	12.8
711.35773	3.7
727.35358	2.6
728.35944	24.9
729.37103	1.3
825.42456	100.0
826.42438	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	825.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57647	0.3
58.62883	0.4
62.50879	0.5
67.05476	0.7
69.03434	2.2
69.04508	1.0
70.06596	3.7
71.04991	2.7
77.55253	0.4
79.05473	0.8
80.04998	0.9
81.07073	2.2
82.06560	0.5
84.08144	5.1
84.14594	0.4
85.08479	0.6
86.09705	0.5
91.67338	0.4
93.07024	1.1
94.06540	1.5
95.04941	0.4
95.08586	1.6
96.08099	0.9
97.06532	0.7
98.97562	0.6
99.04418	0.8
105.07006	1.2
107.08556	1.1
108.05543	0.3
108.08100	0.5
110.09653	1.0
111.08099	3.6
113.03434	0.4
119.08625	0.5
120.08031	0.4
122.09687	3.1
124.11220	1.0
125.05968	0.6
126.09150	0.6
127.03913	1.0
129.05450	0.6
134.09602	0.6
135.08107	0.5
136.11212	3.4
137.05975	5.2
138.06316	0.4
139.07562	0.6
145.63930	0.4
148.11136	0.5
150.09155	3.2
150.12770	0.4
152.10696	1.3
154.12186	0.5
158.99631	0.5
160.11075	0.4
162.02982	1.6
162.12753	1.2
164.14355	1.6
166.15918	1.5
167.07011	0.7
168.10204	2.7
170.34337	0.4
175.11186	0.5
176.14429	0.4
177.06625	1.0
180.03967	0.8
180.13957	0.4
182.11777	6.8
184.13354	0.7
192.14001	0.5
194.15509	0.5
195.07668	1.6
201.11240	0.4
208.13229	0.4
208.16896	0.6
221.11691	1.6
234.14798	0.8
236.16446	4.5
245.10323	3.7
246.10616	1.6
247.11842	0.8
248.12202	0.6
262.18002	1.1
264.19598	1.3
290.17609	0.6
292.19138	2.5
293.12473	1.2
308.18533	7.0
316.19104	1.2
322.15195	0.8
323.15564	0.7
348.18246	0.6
354.82819	0.4
360.15417	0.4
362.19342	0.5
390.22739	100.0
391.18008	0.7
391.23087	13.5
392.23328	5.9
416.20862	1.0
417.21179	1.1
418.22046	5.1
434.21774	2.7
435.23163	9.7
436.23306	70.0
437.23672	3.0
631.67804	0.4
834.37256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40451	0.2
67.05493	0.4
69.03428	3.5
70.06591	3.3
71.04987	2.8
79.05488	0.6
80.05008	1.0
81.07053	2.3
82.06586	0.3
83.04991	0.2
84.08145	0.8
91.05482	0.4
93.07040	1.0
94.06577	0.6
94.94859	0.2
95.04937	0.2
95.08595	0.9
96.08121	0.9
97.02911	0.6
97.06528	0.4
97.08897	0.3
97.83278	0.2
98.23488	0.5
99.04447	1.2
100.07617	0.3
105.07027	0.7
107.08599	1.5
108.08129	0.3
109.06519	0.8
109.10181	0.2
110.09706	0.5
111.08088	2.2
111.44689	0.1
119.08607	0.5
120.08121	0.3
121.10133	0.4
122.09664	1.9
123.08066	0.4
124.07619	0.3
124.08865	0.6
124.11240	0.5
125.05978	0.6
128.07089	0.7
133.10144	0.3
134.09680	0.4
135.08078	0.3
136.11194	1.3
137.05968	4.7
137.06993	0.3
138.09167	0.2
138.12813	0.3
139.07544	1.8
142.08685	0.2
145.10135	0.3
147.08075	0.3
147.11658	0.3
148.11208	0.3
149.09572	0.3
150.09143	2.5
150.12692	0.2
152.10719	0.7
154.12285	0.4
160.11150	0.2
161.09619	0.3
161.12019	0.2
162.12770	0.5
164.14365	0.3
166.15948	1.2
168.10181	2.8
169.18311	0.2
170.11818	0.2
171.11856	0.2
173.09637	0.2
175.11133	0.4
180.10107	0.2
180.13956	0.2
182.11761	3.7
183.12076	0.2
184.13390	0.6
188.14342	0.2
194.15404	0.7
195.13750	0.8
196.13382	0.3
198.11243	0.3
219.10100	0.2
221.11725	1.8
222.14864	0.3
223.13348	0.6
234.14909	0.6
236.16460	4.1
251.12811	0.3
252.15919	0.3
262.17941	0.4
264.19565	1.8
278.17456	0.3
278.55585	0.2
290.17764	0.4
292.19028	2.3
316.19110	1.5
318.20651	0.6
354.76031	0.2
362.23465	0.3
372.21729	0.3
388.21225	0.3
389.21194	0.4
390.22726	100.0
391.23068	5.3
392.24268	64.9
393.24609	2.2
416.20782	0.3
418.22052	0.2
434.21820	2.2
436.23242	1.4
587.00421	0.2
642.22882	0.2
654.76721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.2
67.05486	0.7
69.03057	0.3
69.03423	3.3
69.30172	1.1
70.06238	0.4
70.06590	4.2
70.68702	0.2
71.04988	1.5
79.05483	0.9
80.05004	0.6
81.07049	2.4
82.06576	0.5
83.04991	0.2
83.07359	0.3
84.08167	1.4
91.05441	0.4
92.56485	0.2
93.07031	0.9
94.06545	0.7
95.04954	0.5
95.08578	0.6
96.05726	0.2
96.08117	1.1
97.02896	0.8
97.06522	0.4
97.08900	0.5
99.04435	0.7
100.07581	0.3
101.06023	0.2
105.07002	0.8
107.08599	1.1
108.08096	0.6
109.08911	0.3
110.09668	1.0
111.08081	0.8
113.09829	0.2
117.06998	0.4
118.59561	0.2
119.08581	0.6
120.08030	0.3
121.06481	0.4
122.09655	1.8
123.08080	0.6
124.08839	0.6
124.11243	0.5
125.05961	0.5
128.07051	0.4
131.08557	0.5
133.10066	0.4
134.09608	0.6
135.08087	0.6
136.11241	1.9
136.68805	0.2
137.05977	6.3
138.09169	0.5
143.08578	0.2
145.10136	0.4
147.11627	0.2
148.11238	0.4
149.05930	0.3
150.09145	2.1
152.10736	0.4
154.12285	0.4
155.07039	0.2
159.11708	0.2
160.11224	0.5
161.09727	0.2
162.09229	0.2
162.12749	0.7
164.14323	0.4
166.15891	1.3
168.10223	2.2
173.09636	0.3
175.11201	0.4
176.14450	0.3
180.10077	0.3
181.08592	0.5
182.11763	3.7
183.06505	0.4
184.13362	2.6
190.15919	0.7
194.15375	0.7
196.13370	0.5
198.11221	0.4
217.08664	0.3
218.15196	0.2
219.10214	0.3
220.13358	0.4
221.11786	1.6
234.14738	0.4
235.15576	0.3
236.16440	5.1
239.14331	0.2
246.14900	2.1
247.09668	2.4
249.11230	2.3
262.17920	0.3
264.19513	1.8
278.17484	0.4
292.19080	3.0
316.19055	2.1
318.16946	0.6
320.18539	3.3
344.18542	3.3
360.18179	0.6
362.23212	0.3
390.22736	100.0
391.23090	3.2
392.24265	7.0
400.21173	0.5
403.19858	0.4
404.24323	1.2
418.22217	11.5
419.22427	0.6
422.25436	3.1
434.21292	0.3
436.23291	60.7
437.23560	2.2
614.77802	0.3
624.94830	0.3
710.73499	0.3
710.98682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57647	0.3
58.62883	0.4
62.50879	0.5
67.05476	0.7
69.03434	2.2
69.04508	1.0
70.06596	3.7
71.04991	2.7
77.55253	0.4
79.05473	0.8
80.04998	0.9
81.07073	2.2
82.06560	0.5
84.08144	5.1
84.14594	0.4
85.08479	0.6
86.09705	0.5
91.67338	0.4
93.07024	1.1
94.06540	1.5
95.04941	0.4
95.08586	1.6
96.08099	0.9
97.06532	0.7
98.97562	0.6
99.04418	0.8
105.07006	1.2
107.08556	1.1
108.05543	0.3
108.08100	0.5
110.09653	1.0
111.08099	3.6
113.03434	0.4
119.08625	0.5
120.08031	0.4
122.09687	3.1
124.11220	1.0
125.05968	0.6
126.09150	0.6
127.03913	1.0
129.05450	0.6
134.09602	0.6
135.08107	0.5
136.11212	3.4
137.05975	5.2
138.06316	0.4
139.07562	0.6
145.63930	0.4
148.11136	0.5
150.09155	3.2
150.12770	0.4
152.10696	1.3
154.12186	0.5
158.99631	0.5
160.11075	0.4
162.02982	1.6
162.12753	1.2
164.14355	1.6
166.15918	1.5
167.07011	0.7
168.10204	2.7
170.34337	0.4
175.11186	0.5
176.14429	0.4
177.06625	1.0
180.03967	0.8
180.13957	0.4
182.11777	6.8
184.13354	0.7
192.14001	0.5
194.15509	0.5
195.07668	1.6
201.11240	0.4
208.13229	0.4
208.16896	0.6
221.11691	1.6
234.14798	0.8
236.16446	4.5
245.10323	3.7
246.10616	1.6
247.11842	0.8
248.12202	0.6
262.18002	1.1
264.19598	1.3
290.17609	0.6
292.19138	2.5
293.12473	1.2
308.18533	7.0
316.19104	1.2
322.15195	0.8
323.15564	0.7
348.18246	0.6
354.82819	0.4
360.15417	0.4
362.19342	0.5
390.22739	100.0
391.18008	0.7
391.23087	13.5
392.23328	5.9
416.20862	1.0
417.21179	1.1
418.22046	5.1
434.21774	2.7
435.23163	9.7
436.23306	70.0
437.23672	3.0
631.67804	0.4
834.37256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	1.6
61.02929	4.6
67.05504	11.9
69.03435	26.4
69.07071	8.4
70.06590	2.1
71.01361	1.5
71.04990	12.8
73.02920	7.1
79.05492	11.3
81.03419	20.5
81.07058	48.8
83.04972	3.4
83.08622	4.6
85.02906	80.1
85.06561	1.4
86.03246	2.3
87.04465	26.9
91.03938	2.7
91.05483	10.3
93.07047	24.0
95.04959	5.0
95.08603	24.0
97.02897	26.9
97.06540	3.7
97.10159	4.1
98.09695	1.3
99.04449	5.6
99.08083	3.3
101.02381	2.1
103.03938	4.6
103.05463	1.6
105.07036	27.2
107.04950	1.6
107.08595	31.4
109.02879	14.9
109.06546	2.7
109.10160	28.1
111.04449	2.1
111.08088	2.8
111.11704	2.3
115.03931	100.0
117.07024	2.4
117.61950	1.1
119.08581	41.8
121.06490	3.7
121.10168	9.6
123.04453	2.5
123.11704	13.0
125.09638	2.8
127.03917	46.5
127.11192	19.2
129.05527	1.1
129.06981	1.1
131.08574	4.9
133.04973	32.4
133.06493	2.1
133.10129	23.6
135.04439	1.5
135.08069	1.9
135.11694	46.2
137.06009	1.8
137.09621	2.5
137.13235	2.4
139.11163	1.8
143.08536	1.6
143.10672	23.3
145.04953	34.2
145.10118	6.4
147.08020	1.7
147.11699	20.2
149.13272	5.6
151.11185	2.0
152.05629	2.6
153.12744	4.1
155.08568	1.2
157.04965	3.0
157.10147	5.0
159.08072	1.3
159.11734	5.7
160.12442	1.5
161.13268	10.5
163.05992	6.3
163.14815	2.4
171.07996	1.4
171.11676	2.3
173.09621	1.9
173.13280	2.0
175.06117	2.7
175.11206	3.1
175.14828	4.2
177.16451	1.8
183.11726	1.1
185.13365	2.5
187.11157	2.1
189.16396	1.8
201.16408	1.7
203.17963	53.0
205.12325	1.5
205.19585	3.3
207.11842	1.4
215.17923	1.4
219.17380	1.5
221.18999	95.1
222.19334	1.6
223.20534	2.2
225.12686	2.0
229.07039	1.5
233.18942	2.7
239.20082	4.8
241.07101	3.8
243.17375	1.6
245.19041	1.8
259.08105	10.2
261.18723	1.8
263.20026	2.6
275.07562	3.2
277.09186	40.8
278.66464	1.2
287.20135	1.3
293.19107	1.8
311.19968	6.1
329.21021	4.7
347.22086	3.2
365.23163	2.4
383.17053	1.5
388.21127	3.5
389.21472	1.7
401.18137	1.7
443.24313	2.2
461.24988	5.2
479.26248	9.7
497.27222	3.2
535.16339	2.3
588.48621	1.3
627.21442	1.4
826.43158	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	826.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33716	0.4
61.02933	5.1
65.03937	1.2
65.41216	0.4
67.05511	13.2
68.05026	1.0
69.03435	8.1
69.05797	0.9
69.07081	3.2
69.12469	0.4
70.02966	0.6
70.06599	6.5
71.01377	0.5
71.04997	87.8
72.04498	0.8
72.05334	0.7
73.02914	3.5
79.05496	12.7
79.05954	0.8
81.03428	2.9
81.07061	9.4
82.06584	0.5
83.05002	1.0
83.08614	2.8
84.04520	0.5
84.08151	4.9
85.02912	4.8
86.06068	5.0
87.04457	0.5
88.03999	4.3
91.03976	2.5
91.05482	5.6
93.07051	10.4
94.06573	0.6
95.04977	2.4
95.08623	5.4
96.04501	0.6
96.08137	9.9
97.02892	6.4
97.06536	0.8
97.10171	4.3
98.06062	3.3
98.23532	1.0
99.04453	0.8
101.02390	1.4
102.05560	0.7
105.04551	0.6
105.07050	2.6
106.06586	1.4
107.04955	0.5
107.08598	6.0
109.02889	1.1
109.06548	1.1
109.10160	4.0
111.08076	2.2
112.07616	5.6
113.08432	0.5
114.05583	0.5
114.09218	0.7
117.07037	1.5
119.08593	2.5
121.10149	3.2
123.08086	0.8
123.11731	1.1
124.07614	4.5
125.09637	4.1
127.03947	0.9
131.08632	1.3
133.10178	1.2
135.08043	2.7
135.11728	1.7
137.09618	0.6
140.07124	1.2
141.07907	1.3
142.08646	4.9
144.08075	0.4
145.10167	1.2
149.13260	0.7
153.09154	1.4
157.10144	0.6
158.08141	8.8
159.11674	0.5
163.11249	1.0
170.08142	3.1
173.11873	0.5
189.11282	1.2
193.12283	0.5
202.10799	0.9
207.30261	0.4
211.13420	0.6
212.12921	0.4
227.12721	2.4
227.41415	0.5
229.14413	0.7
230.15778	0.4
238.18126	0.6
248.16501	0.8
261.22327	0.6
335.25812	6.1
413.18179	0.6
439.27118	0.6
639.30115	0.8
646.42480	0.6
655.28210	0.6
656.28052	1.5
657.28625	2.2
664.43768	2.3
722.38489	1.2
723.37744	0.7
729.33759	0.7
760.37518	0.5
826.49860	100.0
827.50946	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	826.4958
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02932	5.2
65.03955	0.9
65.21883	0.3
67.05510	12.1
68.05038	0.8
68.61474	0.4
69.03431	7.3
69.07072	3.1
69.42516	1.7
70.02958	1.0
70.06595	6.4
71.01357	0.8
71.04995	81.2
72.04522	0.6
72.44703	0.3
73.02917	3.4
77.03922	0.4
79.05495	11.0
80.05031	0.5
81.03425	3.9
81.07059	8.5
81.07510	0.7
82.06601	0.8
83.04985	1.0
83.08613	2.5
84.04552	0.5
84.08137	4.3
85.02903	4.9
85.06551	0.3
86.06065	4.7
87.04473	0.4
88.03996	3.9
91.03959	2.0
91.05484	5.8
93.07048	8.8
94.06564	0.9
95.04972	3.0
95.08604	5.8
96.08138	8.8
97.02890	4.9
97.06577	0.6
97.10167	3.6
98.06061	3.7
99.04483	0.4
100.07649	0.4
101.02409	1.0
102.05589	0.6
104.07139	0.4
105.04527	0.8
105.07034	2.3
106.06521	0.8
107.04939	0.6
107.08605	5.8
108.03947	0.3
109.02932	0.6
109.06525	0.8
109.10166	3.6
111.08103	1.7
112.07612	5.4
114.05596	0.4
114.09174	0.6
117.07061	1.6
119.08585	1.8
121.06517	0.5
121.10151	2.2
124.07595	3.6
125.09628	3.0
127.03970	0.7
129.07007	0.4
131.08600	1.4
133.10164	1.0
135.08069	1.8
135.11763	1.3
140.07106	0.9
141.07895	0.7
142.08627	5.9
145.10190	1.0
147.11694	0.9
149.09702	0.6
149.13318	0.7
153.09132	1.8
158.08131	7.4
158.09300	0.6
159.11728	0.5
163.11156	0.7
170.08177	2.6
171.78900	0.4
173.11873	0.4
175.14799	0.5
189.11215	1.8
193.12247	0.6
202.10840	0.5
211.13396	0.5
218.63673	0.4
224.79350	0.3
227.12718	2.6
229.14464	0.7
235.75525	0.4
248.16606	0.8
250.14316	0.4
261.22183	0.5
267.15839	0.6
335.25848	4.0
573.38171	0.4
611.38458	0.6
612.38342	0.4
646.43689	1.1
656.28131	1.7
657.29047	2.0
664.44208	2.2
723.38281	0.6
826.49927	100.0
827.51196	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	826.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.5
61.02928	8.0
65.03913	0.8
67.05507	46.2
69.03401	1.3
69.07069	3.3
69.51226	0.6
69.51563	1.8
71.04964	1.7
71.08632	13.9
73.02929	3.1
73.06553	0.4
79.05466	1.2
81.03400	1.0
81.07062	11.1
83.08623	8.3
85.02419	0.8
85.02902	11.2
85.06504	1.8
85.10188	7.5
87.04404	0.7
89.06008	0.5
91.03470	0.5
91.03963	7.0
91.05492	2.4
93.07018	1.9
95.08047	0.9
95.08608	12.5
96.04502	0.5
97.02894	5.1
97.10176	2.7
99.11749	0.5
103.07519	0.5
107.08589	0.7
109.10161	52.9
111.08088	2.2
119.08574	4.0
123.11729	2.4
127.03932	2.4
137.09647	2.4
137.13217	0.9
145.04964	3.2
155.10646	4.6
163.06038	4.6
173.11745	17.6
173.13260	0.9
221.22571	0.5
229.14349	100.0
230.14644	1.3
239.23604	1.8
257.24716	1.7
313.27368	74.8
314.27673	2.5
328.69510	0.4
373.18317	0.6
467.37344	68.9
468.37811	2.7
596.56854	0.5
826.48889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.6
67.05511	2.9
68.68171	0.6
69.03416	0.9
71.04998	0.8
81.03391	1.4
81.07052	1.6
83.08603	1.0
84.64676	0.6
85.02899	1.8
87.17249	0.6
91.03979	1.3
91.05492	1.2
93.07040	1.0
95.08606	0.6
97.02896	1.2
97.67166	0.6
107.08594	0.7
107.32225	0.5
109.10151	2.0
119.08541	0.9
123.02872	0.6
123.52413	0.5
135.11783	0.5
145.10136	0.7
163.29472	0.6
171.86729	0.6
178.74173	0.7
181.03247	0.6
184.21942	0.5
229.14365	0.9
243.08464	0.8
244.94452	0.6
301.08871	1.1
348.75949	0.6
385.18915	0.6
401.15500	0.9
410.19449	0.8
411.14673	0.7
413.17859	3.7
467.18698	1.2
485.19006	1.4
501.16974	0.9
544.18958	2.1
557.20062	1.1
611.28888	0.9
613.25781	0.8
628.28180	1.3
639.29993	5.8
640.29120	0.9
655.28302	1.3
657.28955	100.0
658.29303	4.8
683.30682	1.2
685.31421	4.4
713.31396	2.7
723.38074	0.8
729.33105	10.0
827.38495	24.8
828.39099	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	827.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.5
67.05522	1.2
68.62354	0.3
69.03426	0.5
69.60642	1.0
70.06604	0.4
77.27778	0.3
79.05479	0.7
79.29160	0.3
81.03426	0.9
81.07057	0.7
85.02924	0.9
86.23674	0.3
87.65488	0.3
91.05492	0.7
93.07057	0.4
95.04965	0.7
95.08627	0.5
97.02953	0.7
98.23534	0.4
105.07023	0.3
107.08617	0.4
109.10178	1.1
119.08635	0.5
119.86472	0.3
145.10249	0.4
147.11821	0.4
156.23875	0.3
173.11800	0.7
267.09195	1.0
267.16107	0.5
268.16504	0.4
269.10715	0.5
285.10123	0.8
349.16763	0.6
413.18002	0.9
467.18771	0.5
485.16705	1.5
501.23669	0.4
502.99640	0.4
517.21179	0.6
537.26843	0.3
561.48804	0.3
567.25391	0.5
639.29791	3.8
657.30566	3.6
723.39325	1.2
725.37073	2.3
737.35571	1.0
739.38867	1.3
827.41827	100.0
828.42084	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	827.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.3
69.03439	1.3
69.07079	0.1
70.04781	0.3
70.06605	1.0
71.04992	2.9
79.05483	0.4
80.05014	0.4
81.07052	0.4
83.07367	0.1
84.08147	0.7
85.02859	0.1
86.06073	0.1
91.05494	0.2
93.07056	0.5
94.06569	0.4
95.04967	0.2
95.08605	0.5
96.08134	0.4
97.06532	0.3
99.04456	3.1
105.07025	0.4
105.60974	0.1
106.06565	0.3
107.08584	0.4
108.08135	0.2
109.06539	0.4
109.10154	0.2
110.09650	0.2
111.08087	1.8
112.07561	0.2
119.08566	0.3
121.06487	0.2
121.10164	0.1
122.09674	1.1
123.08095	0.6
124.07616	0.3
124.11237	0.4
125.06020	0.2
125.09613	0.3
126.09165	0.2
126.74532	0.1
129.07062	0.2
131.08586	0.2
133.06474	0.2
134.09653	0.5
135.08096	0.3
136.11203	2.9
137.05960	0.9
137.09671	0.3
138.09085	0.2
139.07544	0.2
142.08638	0.2
143.08557	0.1
145.10196	0.2
147.08041	0.4
148.11186	0.2
149.09647	0.4
150.09126	1.4
152.10674	1.1
154.12267	0.3
155.07008	0.2
157.10133	0.2
159.11711	0.2
160.11223	0.1
162.09027	0.1
162.12761	0.4
164.14365	0.4
165.09116	0.4
168.10197	1.0
170.11765	0.4
175.11165	0.5
176.14365	0.2
177.12683	0.2
180.10233	0.1
180.13803	0.2
182.11765	4.1
183.10176	0.2
184.13348	0.3
190.12360	0.2
193.12210	0.3
194.15512	0.1
207.06625	0.1
208.13266	0.3
208.16774	0.1
218.11932	0.2
221.11726	1.3
234.14825	0.7
236.16476	0.5
239.12775	0.6
262.18097	0.2
264.19559	0.2
264.50894	0.1
274.18195	0.1
278.17432	0.4
292.19037	0.5
302.17398	0.1
311.25400	0.1
316.19186	0.7
320.18448	0.3
334.20062	1.4
338.19720	0.8
372.21765	0.2
390.22745	7.8
391.22992	0.4
392.23862	0.4
393.24380	0.3
394.24820	0.1
406.22333	0.7
407.22720	0.5
408.23782	100.0
409.24078	2.6
420.20142	9.6
421.20670	0.5
422.21594	0.8
435.22107	0.2
836.63080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	0.3
67.05496	0.9
68.05028	1.5
69.03409	0.8
69.07073	1.1
70.02928	0.4
70.06574	0.7
70.75478	0.4
71.04969	0.6
75.23521	0.2
79.05490	1.6
80.05019	9.7
81.03433	0.5
81.07060	1.3
82.06577	0.8
83.01341	0.8
84.04479	0.6
84.08112	0.2
85.02894	0.3
86.06075	0.5
86.09694	0.3
91.05476	0.6
93.07030	0.7
94.06547	0.7
95.04962	1.3
95.08598	0.7
96.04496	0.5
96.08141	1.4
97.05292	0.4
97.06543	1.2
98.06042	0.7
98.09685	0.7
99.04457	0.4
100.07621	0.3
100.11242	0.9
103.98914	0.2
105.07017	1.1
107.04961	2.2
107.08601	0.5
108.05243	0.4
108.08123	0.4
109.06503	1.1
110.09698	0.5
111.08064	0.4
112.07616	0.4
112.11252	2.6
115.03876	0.4
116.10757	1.4
119.08614	0.5
120.08129	0.3
121.06506	0.7
121.10107	0.3
122.09668	11.6
124.07544	0.3
124.08424	0.4
124.11243	0.6
125.05933	0.3
126.09156	0.5
126.12796	0.7
127.03904	0.9
128.10712	0.9
129.05487	0.2
129.06989	0.4
131.08551	0.5
133.06493	0.3
134.09685	0.4
135.08011	0.7
136.07555	0.6
136.11211	1.0
137.05930	0.6
137.09587	0.6
138.09120	0.7
138.12776	0.4
139.09889	0.4
140.10701	33.2
141.05502	0.3
141.11099	0.3
142.12263	2.4
143.03323	0.4
143.08542	0.2
144.86894	0.2
147.08093	0.6
149.05890	0.2
149.09590	0.2
151.03857	0.4
151.07552	0.4
152.10701	0.7
153.05513	0.3
154.12253	1.6
155.03377	0.7
155.07059	0.9
158.11761	48.4
159.08090	0.3
159.12086	0.3
161.05991	0.5
162.09125	0.2
162.12830	0.4
163.07498	0.2
164.10745	0.3
165.05460	0.7
165.08992	0.2
167.07001	0.5
170.11806	0.3
173.09621	0.4
175.07545	0.5
177.05487	0.2
178.08504	0.3
182.11842	0.2
183.06551	2.2
185.09634	0.3
187.07532	0.3
188.97917	0.2
189.09122	0.6
190.12331	0.2
191.06978	0.4
194.11789	0.6
194.15402	0.3
195.06538	0.6
203.10658	0.3
204.13803	0.7
207.06473	0.4
217.08540	0.3
223.15681	0.9
224.16510	0.3
231.10143	0.5
235.09732	0.3
236.16342	0.2
245.11836	0.5
249.11346	0.2
250.17999	0.8
260.16644	0.3
261.11325	0.3
275.12848	0.2
278.17542	0.8
296.15018	0.3
314.17456	0.2
370.20108	0.3
378.22510	0.3
388.21213	1.0
390.22690	0.6
392.24271	1.0
394.21967	0.3
396.23776	0.4
404.20523	2.5
405.20969	1.0
406.22226	12.3
407.22488	2.0
408.23724	5.7
409.24228	0.3
420.20145	1.1
421.20428	0.9
422.21667	6.9
423.22006	10.0
424.23230	100.0
425.23550	3.3
475.44061	0.3
704.60022	0.3
705.17181	0.2
736.29547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	0.7
61.02929	3.2
67.05512	2.9
69.03433	2.2
69.07072	1.6
69.12740	1.8
71.05011	1.8
71.83128	0.3
73.02924	2.7
74.82749	0.3
76.54639	0.3
79.05501	3.3
81.03425	4.1
81.07064	3.5
83.00712	0.3
83.04994	0.5
83.08626	0.9
83.48238	0.3
85.02901	3.7
85.06542	0.4
87.04479	0.6
91.03944	1.8
91.05483	2.8
93.07046	2.7
95.04974	1.9
95.08603	2.1
97.02893	2.7
97.06532	3.0
97.10233	0.5
99.04484	0.8
101.02370	1.5
103.43453	0.3
105.07042	2.8
107.08625	1.3
108.75517	0.3
109.02895	0.4
109.06548	0.6
109.10200	0.5
111.08088	0.7
115.05527	0.3
117.07046	0.8
119.08625	1.1
121.10168	1.8
127.03983	1.3
129.07022	0.6
131.08597	1.7
133.10188	1.4
135.11711	0.5
145.05000	0.4
147.08107	0.4
147.11748	1.2
149.09676	1.4
157.10188	1.1
159.11821	0.3
167.00705	0.3
170.38776	0.3
175.11285	1.1
185.04243	0.4
193.12231	1.6
203.05351	0.6
225.14944	0.6
243.08351	2.5
253.14276	0.3
267.15952	0.7
283.15088	2.7
319.18915	0.4
339.17978	0.8
349.19824	5.7
405.22766	1.3
439.19611	1.5
453.20758	1.5
469.20660	0.6
501.23071	12.5
502.23682	0.4
567.27728	6.9
643.32880	0.4
665.39447	0.5
718.51617	0.4
737.36676	0.6
768.48615	0.4
827.43951	100.0
828.44342	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	829.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	0.8
61.02929	4.7
67.05508	4.8
67.62786	0.4
69.03432	3.1
69.07063	2.5
70.06625	0.4
71.05010	1.6
73.02919	4.0
79.05491	4.6
79.05875	0.4
81.03425	4.0
81.03860	0.5
81.07058	5.6
81.07489	0.4
83.05003	1.2
83.08642	1.4
85.02905	4.2
85.06588	0.6
87.04505	0.5
91.03957	2.7
91.05483	3.3
93.07041	3.2
95.04937	1.9
95.08614	1.8
97.02888	4.3
97.06554	1.2
97.10201	1.5
99.04483	1.0
101.02384	1.8
105.07043	2.2
107.05063	0.4
107.08598	2.6
109.02911	0.9
109.10159	2.4
111.08104	0.7
117.07059	0.7
119.08620	1.4
121.06536	0.6
121.10151	2.3
123.08122	0.6
123.11753	0.3
125.09681	1.0
127.03973	1.6
129.07053	1.2
131.08568	1.8
131.55989	0.3
133.10201	1.8
135.08131	0.5
135.11751	0.5
147.11734	1.1
149.09598	1.8
157.10219	1.0
159.11694	0.5
161.05949	0.4
175.11174	0.9
178.05690	0.4
185.04385	0.8
193.12349	1.5
203.05307	0.6
225.14954	0.5
229.14557	0.5
243.08424	3.1
259.08102	0.4
267.16049	0.9
283.15176	2.7
339.17920	0.9
349.20117	1.2
351.21439	2.2
365.23541	0.5
407.24420	0.6
413.17783	2.6
416.20663	0.9
439.18970	0.5
443.18988	0.7
448.71970	0.4
452.88730	0.4
469.20599	0.9
471.21930	0.6
487.21497	0.6
499.21561	0.5
501.23126	11.9
567.28082	0.6
569.29321	8.0
583.31342	1.5
739.38696	16.4
740.38885	0.9
811.40991	0.7
829.45538	100.0
830.46094	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62641	1.9
61.02925	9.5
67.05502	11.9
69.03433	7.1
69.07058	4.1
71.36821	2.7
73.02917	7.2
79.05486	5.6
81.03393	2.4
81.07051	13.0
85.02908	10.8
87.49667	1.9
91.03926	9.4
91.05522	5.1
93.07049	6.7
95.08617	6.7
97.02899	7.0
99.04547	2.7
101.02386	3.2
101.07684	2.2
105.07041	2.8
107.08611	5.1
109.10166	4.3
117.07001	1.9
119.46638	1.8
121.10131	3.6
127.03901	4.2
130.98695	2.1
133.10158	3.2
135.11720	3.0
172.46136	1.8
243.08450	8.9
270.69638	1.8
297.86887	2.2
333.20328	3.0
485.64450	2.2
519.29144	11.6
549.71191	2.1
551.28229	6.2
829.50665	100.0
830.51575	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71047	0.4
61.02931	3.9
63.24786	0.3
67.05498	3.0
68.72600	0.4
69.03434	2.4
69.07073	1.1
69.28407	2.2
71.04995	0.5
73.02918	2.6
79.05492	4.0
81.03411	0.8
81.07055	2.5
83.04994	0.5
83.08615	0.6
85.02908	3.3
90.10849	0.4
91.03959	1.4
91.05486	3.3
93.07042	4.6
95.04967	0.8
95.08613	1.8
97.02890	2.9
97.36852	0.4
101.02406	1.5
103.03924	0.4
105.07070	2.9
107.08590	2.4
109.02877	0.7
109.10178	0.9
117.07014	0.9
119.08553	2.9
121.10149	1.5
127.03927	1.0
129.07007	0.6
131.08597	1.1
133.10123	2.1
135.11726	1.5
143.08546	0.5
145.10143	0.6
147.11696	1.3
149.13268	0.4
157.10150	0.8
161.13324	0.6
173.13312	0.4
184.07378	0.7
185.04292	1.2
185.13239	0.6
201.03783	0.5
203.05431	0.5
243.08389	3.9
259.20749	0.8
301.08981	1.7
315.10468	0.8
317.20947	1.0
321.75104	0.5
355.13751	0.5
373.23877	0.6
385.18607	0.4
429.26511	0.5
465.21210	1.3
495.22186	0.5
525.22852	1.2
535.28741	12.2
536.28894	0.7
590.96570	0.5
607.31348	1.7
691.39783	0.5
829.50671	100.0
830.51013	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.2
67.05504	4.5
69.03439	3.1
69.07068	1.9
69.11482	1.4
69.11891	3.6
71.05013	0.7
73.02919	4.4
78.59251	0.6
79.05492	3.4
81.03416	1.5
81.07053	5.9
83.08596	0.7
85.02901	4.6
87.04475	0.7
91.03992	3.2
91.05510	3.0
93.07053	3.6
95.04988	1.0
95.08617	3.3
97.02901	4.7
98.43983	0.7
99.04481	0.9
100.05385	0.6
101.02416	2.0
105.07066	1.3
107.08625	2.9
108.16763	0.6
109.02923	0.8
109.10194	0.9
111.59361	0.7
119.08582	1.4
121.10125	1.8
123.11784	0.7
127.03930	1.7
142.12286	0.7
145.10066	0.7
243.08514	2.9
327.81039	0.7
333.20505	2.7
505.25635	0.9
519.29498	6.4
551.28461	5.8
555.36462	0.9
559.20648	0.9
829.50714	100.0
830.51208	5.6
845.82953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84336	0.1
62.34100	0.1
63.50389	0.1
66.57668	0.1
67.05494	0.2
69.03417	0.2
71.04989	0.1
73.06599	0.1
80.05023	0.3
82.06559	0.2
83.01341	0.2
91.05479	0.2
91.15738	0.1
93.07059	0.2
94.06560	0.1
95.08595	0.1
96.08147	0.2
98.66305	0.1
99.04448	1.2
105.07044	0.1
108.08067	0.2
117.06963	0.2
120.08085	0.4
122.09653	0.2
125.05975	0.3
131.08540	0.1
132.08102	0.3
133.10152	0.2
134.09636	1.1
136.11218	1.3
139.07475	0.1
143.08534	0.2
144.08096	0.2
145.10155	0.1
146.09659	0.2
147.10378	0.2
148.11208	0.4
150.09113	0.2
153.05531	0.1
157.10152	0.1
158.09669	0.3
160.11220	0.5
160.97928	0.1
161.09651	0.2
162.09113	0.1
162.12773	3.6
163.09929	0.2
163.13394	0.1
164.10730	0.7
170.09633	0.2
172.11212	0.7
173.12009	0.2
174.12775	4.7
175.13536	1.2
176.10730	0.6
184.11263	0.2
186.12766	0.8
187.13528	0.2
188.10693	0.5
188.14372	0.2
189.09103	0.2
190.12257	3.2
191.13034	0.2
198.09265	0.1
199.13531	0.1
200.10696	1.3
200.14268	0.3
201.11363	0.2
201.15146	0.3
202.12312	0.4
210.12744	0.1
212.10727	0.1
212.14319	0.2
214.12187	0.6
214.15918	0.4
215.10825	0.1
215.12917	0.1
216.13792	0.7
218.11797	0.1
224.14343	0.2
226.12311	0.3
228.10237	0.2
228.13867	0.2
228.17450	0.1
229.18294	0.2
230.11664	0.2
230.15495	0.1
232.13339	0.4
234.14854	0.3
236.14348	0.2
238.12169	0.2
240.13867	0.5
242.15395	1.1
244.13268	0.2
244.17101	0.2
245.17630	0.1
246.14861	0.2
252.13719	0.3
254.11691	0.1
256.13336	0.7
258.14880	0.7
260.16400	0.7
261.17343	0.2
262.14301	0.3
266.15353	0.2
267.12646	0.1
268.13373	0.2
270.14868	1.1
272.16406	1.2
273.17245	1.6
274.14380	0.4
274.17993	1.2
282.14935	0.4
284.12894	0.6
284.15991	0.2
286.14291	0.7
287.15259	0.2
288.15918	5.1
289.16702	4.9
290.17493	0.5
296.12653	0.1
300.16061	0.6
302.13904	0.4
310.14325	0.6
310.17847	0.2
312.19501	0.2
314.17395	0.2
316.15363	0.4
317.16238	0.1
318.17151	0.4
328.15588	0.2
328.18982	0.2
338.17395	0.1
340.18954	0.9
342.16989	5.5
343.17432	0.2
344.22156	0.3
348.15903	0.1
356.18469	0.3
360.21274	0.1
368.15021	0.2
370.20102	0.7
372.21616	0.8
380.18814	0.1
384.17816	0.1
388.21170	1.9
398.19601	6.7
399.19836	0.1
416.20642	100.0
417.20959	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	831.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.6
65.03936	0.4
67.05508	5.3
69.03436	3.8
69.07066	0.8
71.04984	0.6
71.08630	1.5
73.02924	5.0
73.08201	0.4
79.05499	0.7
81.03430	2.2
81.07073	3.0
83.08629	1.2
85.02908	7.4
85.10170	0.9
87.04482	0.6
91.03955	5.2
93.07041	1.0
95.08592	2.2
97.02905	6.3
97.10180	0.7
98.23462	1.6
99.04467	1.2
101.02385	2.6
103.03909	0.5
107.08603	0.6
109.02871	0.9
109.10155	6.7
111.08070	0.6
115.03928	0.8
119.08596	0.5
127.03918	2.5
145.04973	1.1
155.10663	0.7
173.11725	2.2
184.07297	1.0
185.04219	1.6
195.09918	0.8
201.66124	0.4
203.05298	1.3
229.14357	1.3
243.08368	3.2
251.12636	0.9
252.13542	0.5
313.27277	0.9
347.09589	4.2
365.10538	1.4
405.13672	7.6
413.17831	14.0
477.80423	0.5
487.17371	0.5
497.30844	7.3
535.28448	1.1
537.30347	1.1
575.23102	13.7
648.49579	0.5
659.36499	5.7
669.41699	3.6
772.47046	0.5
831.46918	100.0
832.47009	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	832.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.4
65.80418	0.4
69.03430	24.3
71.01333	0.8
71.04999	0.7
73.02916	2.7
79.05507	0.4
81.03420	3.4
85.02905	68.8
87.04478	0.5
91.03926	0.6
91.05472	0.8
93.07050	1.0
93.13672	0.4
95.05001	0.5
97.02891	23.4
99.04458	6.4
100.08549	0.3
101.02377	2.6
103.03975	0.4
103.05468	6.3
107.04962	1.2
108.55867	0.4
109.02884	5.5
115.03936	3.0
120.08105	100.0
120.98117	0.4
121.08476	0.7
123.04428	0.4
127.03913	59.7
128.04247	0.6
131.04906	2.1
139.03963	0.5
145.04961	62.9
146.05324	0.8
149.05968	2.4
151.03932	0.8
163.06017	20.8
165.05441	0.8
166.08638	55.9
167.09029	0.5
173.85667	0.4
181.04988	1.2
183.10059	0.4
187.45946	0.4
192.94164	0.4
193.04974	1.0
199.06033	0.9
199.50494	0.4
201.76662	0.4
202.87601	0.4
211.06116	0.4
217.07092	0.7
223.06024	3.6
229.07024	0.9
241.06978	2.0
247.08147	2.1
253.07051	3.0
259.08121	3.4
271.08145	6.2
289.09195	13.5
290.09442	0.4
307.10077	1.7
308.98788	0.4
325.11282	18.3
326.11502	0.5
577.59845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06609	1.2
89.95425	0.5
98.06126	0.6
110.07192	0.5
133.06535	0.6
137.06084	0.6
175.03667	40.7
204.04021	0.9
205.04738	8.8
217.08595	0.9
218.05518	1.2
247.29028	0.6
248.86580	0.7
409.12875	0.8
410.13654	1.1
415.13861	1.7
429.15475	1.7
438.12744	1.0
439.13681	1.2
440.14484	1.3
453.15073	3.7
621.19598	1.3
635.20917	1.6
636.23834	0.5
715.35645	0.6
833.29834	100.0
834.30280	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	833.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85942	0.2
67.05502	1.1
68.02190	0.1
68.05030	0.2
69.03428	7.1
69.87232	0.3
70.06580	0.3
76.53788	0.1
79.05487	0.6
79.99097	0.2
80.04553	0.2
80.05017	3.2
81.07050	0.6
82.06581	0.3
83.01350	0.3
83.07358	0.3
84.08155	0.3
84.34720	0.2
91.05491	0.4
93.07025	0.4
94.06557	2.4
95.04941	0.4
95.07349	0.5
95.08624	0.2
96.08132	0.4
98.23425	0.2
99.04425	0.4
99.96002	0.2
101.06082	0.1
105.07017	0.9
106.06561	0.3
108.08138	0.8
109.06522	0.4
109.08890	0.2
110.09060	0.2
110.09673	1.0
117.07017	0.2
119.04933	0.2
120.08086	0.5
121.06510	0.5
121.08881	0.2
122.09663	6.9
123.08067	0.4
123.10485	0.2
124.11174	0.2
125.05993	0.5
127.03960	0.3
127.89383	0.2
128.06226	0.3
129.07077	0.2
131.08604	0.2
132.08080	0.4
133.06462	0.2
133.10124	0.2
134.09666	1.9
136.07542	0.3
136.11214	0.5
138.09143	0.4
142.08609	0.2
145.10101	0.2
146.09665	0.6
147.08034	0.2
148.07559	0.5
149.05981	0.5
150.09143	6.1
151.03851	0.2
151.07564	0.2
151.09535	0.2
152.10757	0.3
155.07031	0.5
160.11270	0.8
161.05946	0.2
161.09619	0.2
162.09044	0.2
162.12753	0.3
163.07542	0.3
165.05486	0.4
165.09157	0.3
167.07045	0.3
168.10194	4.2
171.08180	0.2
172.11136	0.2
174.12729	0.2
176.10701	0.2
179.07060	0.2
180.10182	0.4
181.08568	0.8
182.11731	0.9
183.06548	0.4
186.12834	0.2
188.10588	0.2
189.09062	0.4
190.12253	0.2
200.10706	0.4
206.11829	0.3
207.06589	0.2
208.11406	0.1
208.13321	2.3
215.53409	0.2
216.13722	0.2
217.08617	0.3
233.14180	0.2
234.14827	0.3
236.16518	0.3
240.14037	0.2
242.15373	0.4
246.14925	0.7
247.09682	2.3
248.10193	0.2
249.11220	3.9
260.16403	0.4
262.18097	0.2
274.14120	0.2
284.12827	0.9
292.19540	0.2
302.13892	0.7
316.15506	0.2
318.16974	0.2
320.18658	1.4
328.15503	0.7
330.16959	0.2
342.16989	0.5
344.18582	1.0
358.16507	3.0
368.02039	0.2
398.19598	0.3
401.18512	0.8
416.20657	100.0
417.15244	0.2
417.20950	6.8
418.22131	18.2
419.22684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.2
67.05498	1.1
68.05033	0.2
69.03429	7.8
69.66203	0.3
70.03746	0.2
70.06588	0.8
71.04975	0.3
71.77131	0.1
79.05484	0.7
80.05017	4.5
81.05781	0.1
81.07056	0.7
82.06580	0.5
83.01347	0.3
83.04975	0.2
83.07365	0.3
83.61717	0.1
84.08135	0.4
91.05476	0.5
93.07082	0.3
94.06564	2.9
95.04971	0.3
95.07362	0.5
95.08592	0.3
96.08116	0.7
97.06558	0.3
99.04466	0.4
101.06026	0.3
105.07011	1.2
106.06544	0.4
107.08584	0.2
108.08101	0.6
109.06517	0.4
109.08881	0.2
110.09675	1.2
111.10082	0.1
112.07587	0.4
117.07047	0.2
117.27592	0.2
119.04977	0.2
119.08591	0.2
120.08093	0.8
121.06506	0.5
122.09662	9.4
123.04417	0.2
123.08070	0.4
123.10498	0.3
124.07589	0.2
125.05988	0.6
127.03931	0.4
128.06216	0.2
131.08559	0.2
132.08060	0.3
132.38271	0.2
133.06483	0.3
133.10172	0.3
134.09668	2.0
135.08032	0.2
135.10483	0.2
136.07597	0.2
136.11217	0.6
137.06017	0.2
138.09138	0.5
142.08656	0.3
143.08563	0.2
145.10139	0.2
146.09657	0.7
147.08125	0.2
148.07570	0.5
148.08777	0.2
148.11288	0.2
149.06000	0.2
150.09140	8.3
151.03857	0.3
151.07530	0.3
151.09454	0.6
152.10696	0.2
153.05453	0.3
153.09067	0.2
154.40077	0.1
155.03413	0.3
155.07030	0.4
158.09679	0.2
159.08055	0.2
160.08792	0.2
160.11269	0.4
161.09631	0.3
162.09097	0.3
162.12823	0.4
163.07603	0.2
164.10725	0.2
164.14322	0.3
165.05496	0.5
165.09189	0.3
167.07056	0.4
168.10201	5.1
171.08020	0.3
172.08925	0.2
173.09686	0.2
174.12798	0.4
175.07698	0.2
175.11362	0.2
179.07074	0.3
180.10193	0.4
181.08591	1.3
182.11769	1.7
183.06551	0.8
183.08014	0.2
184.11220	0.2
184.13280	0.3
188.10805	0.2
188.14397	0.2
189.09117	0.3
190.12288	0.4
193.08604	0.3
200.10632	0.4
202.12346	0.2
206.11783	0.5
207.06573	0.2
208.13327	2.6
209.13777	0.3
216.13870	0.3
217.08656	0.3
218.11818	0.2
219.06621	0.2
219.10228	0.2
231.10120	0.2
233.13937	0.2
234.08968	0.2
234.11185	0.2
234.14917	0.5
236.16547	0.9
242.15456	0.3
246.14925	1.6
247.09610	1.8
249.11198	4.5
250.11461	0.2
256.13400	0.2
260.16476	0.4
262.17972	0.2
270.15021	0.2
284.12723	0.8
285.13120	0.2
290.17603	0.3
292.19260	0.2
302.13907	0.8
302.17300	0.3
314.14084	0.2
316.15424	0.3
318.17041	0.4
320.18628	2.6
327.15012	0.2
328.15671	0.7
330.17053	0.4
340.15533	0.2
342.16858	0.4
344.18634	1.6
346.70520	0.2
358.16513	3.1
359.16901	0.2
360.17737	0.2
370.20300	0.2
398.19711	0.4
401.18381	1.0
416.20651	100.0
417.20972	9.4
418.22131	36.2
419.22620	1.0
590.49957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77806	0.9
61.02932	5.4
67.05505	3.0
67.81615	1.1
68.99796	4.0
69.03430	38.4
70.59688	1.8
71.04998	3.9
72.37462	0.9
73.02915	6.9
79.05495	2.2
81.03420	40.5
81.07064	6.7
83.04973	1.3
85.02908	100.0
87.00832	42.3
87.04494	1.1
87.34522	0.9
91.03950	2.1
91.04855	0.8
91.05521	2.9
93.07055	3.8
95.04988	2.1
95.08608	7.3
97.02898	48.2
97.10164	2.8
99.04461	18.4
103.03969	1.2
105.01871	51.2
105.07027	3.4
107.08614	3.1
108.04483	2.9
109.02881	61.0
109.10189	5.0
111.04439	3.1
113.94611	1.0
115.03923	2.0
117.01863	4.1
119.08592	3.8
121.10168	4.4
123.11687	4.9
127.03917	97.4
129.01849	4.6
133.10152	4.4
135.11703	5.7
139.03885	1.2
145.04958	26.6
145.10059	1.0
147.02902	3.4
147.11702	6.4
149.13243	5.5
159.02884	16.9
161.13258	8.3
169.04991	2.9
171.02948	1.6
175.03696	9.9
175.14819	8.5
176.04129	1.6
177.04005	1.2
187.06136	2.4
187.14798	1.7
189.03964	7.2
189.05478	2.0
193.04968	2.3
195.03015	1.1
201.16428	2.8
213.03935	24.9
213.05815	1.8
217.04881	1.3
231.05011	38.6
235.06079	1.4
248.07603	1.6
249.06073	18.7
253.07077	1.9
257.22662	35.0
273.06018	16.3
275.23718	25.5
285.22229	1.5
297.05948	1.2
303.23145	8.3
315.06985	2.9
321.24152	2.4
339.07065	7.4
357.08182	6.6
365.24442	1.6
383.25757	1.7
400.86069	1.3
416.20532	1.8
417.20972	1.5
425.07217	2.0
443.08115	4.7
461.09103	9.3
479.09967	6.9
487.26956	8.1
505.28064	10.2
523.28912	3.2
551.28510	6.6
556.99463	1.3
834.30206	31.9
835.30273	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	834.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	3.1
61.02924	2.8
64.35055	1.3
65.03936	1.8
67.05505	52.0
69.03437	2.8
69.07070	12.4
69.34862	6.5
71.04976	4.1
71.08633	31.9
73.02901	2.3
73.75512	1.2
79.05499	11.6
79.72143	1.7
81.03421	7.4
81.07063	28.9
81.07506	2.3
83.04971	5.2
83.08617	21.3
85.02923	11.1
85.06544	3.1
85.10184	13.3
87.04494	4.7
89.06026	1.3
91.05475	6.4
93.07038	7.4
95.04974	2.9
95.08609	28.4
97.02888	2.8
97.06515	3.6
97.10159	17.0
103.07594	1.8
105.07029	3.5
107.08595	9.5
109.10156	60.3
111.08051	4.1
111.11742	2.4
117.07025	2.9
119.08595	5.9
121.10167	4.6
123.11696	3.3
125.08804	2.3
125.09640	14.6
135.11690	3.9
137.09612	2.0
139.48495	1.2
143.10641	3.4
145.10141	3.7
153.12756	2.6
155.10666	3.8
157.08632	1.3
163.11195	7.5
173.11737	13.8
181.12289	1.9
191.10690	1.9
193.12238	2.2
199.13254	4.6
209.11765	6.0
227.12840	7.8
229.14351	48.3
239.23807	4.5
257.13971	1.3
257.24603	1.5
267.16031	1.7
283.15445	4.3
301.16486	18.6
313.27359	100.0
341.03873	1.3
341.26526	1.7
399.23767	15.8
437.36258	2.8
455.37228	8.1
467.37317	26.7
505.38544	1.4
521.38409	2.2
539.39313	10.8
557.40601	3.9
637.46802	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97874	0.2
61.02914	0.5
67.05497	1.2
69.03415	0.7
69.07068	0.3
79.05475	0.9
80.04989	0.3
81.03422	0.6
81.07034	0.6
82.06548	0.3
85.02901	1.4
89.03905	0.8
91.05468	0.6
93.05776	0.3
93.07035	1.1
94.06561	2.0
95.04964	0.6
95.07325	1.1
95.08590	0.4
96.08134	2.7
97.02871	0.9
97.06526	0.6
99.04427	0.3
100.11233	0.3
105.07050	0.5
106.06544	0.6
108.08103	2.5
109.02844	0.5
109.10139	0.3
110.09672	3.7
116.04970	2.4
118.06535	0.3
120.04430	0.5
120.08096	2.7
122.06020	7.1
122.09662	0.5
124.06763	0.4
124.07594	5.2
127.03884	0.7
134.06003	0.7
135.06784	0.3
136.07571	6.8
138.09125	4.4
140.07045	0.9
144.04434	7.4
145.04848	0.3
146.05974	1.6
148.07545	2.0
150.05518	2.1
150.09109	0.8
152.07057	1.3
160.03926	0.7
160.07602	0.4
162.05510	2.4
164.07011	0.5
165.08989	0.4
166.08629	7.9
168.06548	0.9
172.03925	48.5
172.07588	0.8
173.04285	0.7
173.08298	0.4
174.05472	1.2
176.07140	0.3
178.08618	0.4
182.08179	1.3
182.09488	0.3
184.07564	0.3
184.92099	0.2
185.08315	0.3
185.10742	1.6
186.05473	0.3
186.09152	0.4
187.12375	0.4
190.04974	10.1
191.05353	0.3
192.06627	0.6
196.07521	0.3
197.10760	0.6
198.09239	1.6
198.11569	0.2
199.08646	0.7
199.12192	0.6
200.10704	0.5
201.10199	2.6
202.14700	0.3
204.06548	84.3
205.06816	1.3
205.08595	0.5
210.09172	0.4
211.08412	0.4
211.10159	0.3
212.10944	1.9
213.10164	2.5
213.11719	0.3
213.13770	0.4
214.10854	0.7
215.11815	1.9
218.08093	0.6
222.07547	0.4
222.09528	0.3
223.08765	0.3
223.12297	0.3
224.07027	0.3
225.10219	3.6
226.08752	0.5
226.10847	0.5
227.08119	2.2
227.11748	1.0
228.12479	1.5
229.09717	2.3
229.13335	1.1
230.14088	0.5
236.09213	0.3
237.10226	0.3
239.11784	0.9
240.10085	0.9
241.09708	5.7
241.13281	3.4
242.10455	11.5
243.11259	4.5
243.14856	0.4
244.12009	1.1
250.11028	0.5
251.11737	1.0
252.08806	0.3
253.09676	0.3
255.11259	2.0
256.09998	0.2
256.12036	8.4
257.10391	0.6
257.12823	9.5
258.11331	1.8
258.13483	1.8
259.11166	0.6
264.08755	0.4
265.09735	0.3
267.11224	1.0
269.09271	0.5
271.14551	0.4
272.12729	1.4
274.13434	0.4
277.09744	0.3
279.11343	1.6
281.12915	0.3
284.11514	6.0
285.09549	0.4
285.12354	3.7
286.12839	0.5
287.10257	2.0
289.12112	0.3
289.15381	3.5
297.12302	2.3
299.13879	0.7
300.12262	0.4
301.11835	0.8
302.12582	3.8
303.13058	0.3
307.10730	1.1
309.11960	0.3
315.13303	0.8
317.14938	100.0
318.15247	2.9
325.11792	13.0
329.11243	1.1
329.14972	1.1
334.09225	0.5
339.13446	1.5
341.14981	0.5
343.12912	1.6
356.14130	0.6
357.14423	26.0
358.14972	1.0
384.13187	0.4
400.16489	0.4
404.20557	0.4
418.22256	1.6
432.19168	0.5
458.16833	0.3
476.18149	2.2
487.17075	9.0
488.18124	1.8
501.18536	0.4
508.20889	1.2
519.19678	2.2
597.26715	1.1
609.23370	1.5
623.24799	0.9
641.26001	12.0
642.26245	0.9
673.28741	1.9
674.29486	0.3
708.86572	0.3
722.20123	0.3
759.31415	1.1
771.27979	0.6
803.31079	3.5
835.42255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	0.2
67.05498	0.6
68.05017	0.2
69.03107	0.1
69.03428	1.4
69.05783	0.1
69.07052	0.1
69.46219	0.4
69.46573	0.2
70.06238	0.2
70.06591	2.4
71.04984	0.4
79.05479	0.8
80.05009	0.9
81.03423	0.1
81.07045	0.4
82.06569	0.5
83.01342	0.2
83.04968	0.1
83.07352	0.1
84.08138	0.7
85.06575	0.1
87.04475	0.1
91.05471	0.5
93.07047	0.6
94.06569	0.7
95.04946	0.3
95.07341	0.1
95.08585	0.4
96.08112	0.8
97.06532	0.2
97.08894	0.3
99.04461	0.3
105.07009	0.7
106.06530	0.1
107.07322	0.2
107.08587	0.4
108.08131	0.5
109.06517	0.3
109.08884	0.3
110.05976	0.1
110.09667	0.9
110.67353	0.1
111.04291	0.1
117.07000	0.3
119.08595	0.5
120.08082	0.5
121.06527	0.2
121.10100	0.1
122.09660	2.3
122.10529	0.1
123.08103	0.1
123.10426	0.2
124.07610	0.2
124.11215	0.4
125.05987	0.4
125.09627	0.1
127.03899	0.3
128.07039	0.2
129.06984	0.1
130.07671	0.1
131.08533	0.3
132.08078	0.2
133.06487	0.2
133.10126	0.2
134.09662	0.6
135.08060	0.3
135.10464	0.2
136.11212	1.2
137.12004	0.2
138.09137	0.4
138.12799	0.1
139.07524	0.1
142.07733	0.2
142.08772	0.1
143.08510	0.2
145.06483	0.1
145.10123	0.3
146.09665	0.2
147.08047	0.2
147.11662	0.3
148.11192	0.3
149.05975	0.2
149.09610	0.1
150.09140	1.9
151.03915	0.1
151.07556	0.1
152.10687	0.3
153.05423	0.2
153.09094	0.1
154.12277	0.4
155.03389	0.3
155.06990	0.3
157.10133	0.2
159.08066	0.2
160.11226	0.3
161.06056	0.1
161.09619	0.3
162.09145	0.2
162.12775	0.8
163.07529	0.1
164.10709	0.1
164.14328	1.2
165.05460	0.2
165.38425	0.1
167.07043	0.3
168.10185	1.2
170.11826	0.1
171.07991	0.2
173.09550	0.3
174.12791	0.1
175.11194	0.4
176.14334	0.2
177.05614	0.1
179.07033	0.1
180.10141	0.1
181.08588	0.5
182.11761	2.0
183.06494	0.4
184.13324	1.2
187.07516	0.1
188.14378	0.2
189.09135	0.4
190.15959	0.2
191.06958	0.1
191.10709	0.2
196.13409	0.1
203.10721	0.2
204.13776	0.1
205.08629	0.2
208.13322	0.3
209.07951	0.1
210.14937	0.2
214.12196	0.1
217.08470	0.2
220.13316	0.3
222.14877	0.2
234.14868	0.3
236.14044	0.1
236.16440	3.1
246.14876	3.3
247.09657	1.1
248.16393	0.2
249.11209	1.0
262.18051	0.2
264.19565	0.4
274.18033	0.3
276.15823	0.5
288.15906	0.1
292.19083	0.4
302.17422	0.3
304.15329	0.2
310.92520	0.1
316.15430	0.1
316.18994	0.1
318.16928	0.6
320.18555	8.1
330.17075	0.1
342.20563	0.2
344.18506	4.3
345.18900	0.1
360.18030	0.8
372.21683	0.2
374.23502	0.2
390.18726	0.1
400.20975	0.2
403.19797	0.3
406.78647	0.1
418.22205	100.0
419.22528	2.8
523.99744	0.1
772.75317	0.1
830.70239	0.1
853.42645	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	835.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.1
66.30544	0.1
67.05500	0.4
68.05024	0.2
69.03436	0.8
69.37248	0.1
69.37514	0.5
70.06598	1.5
71.05003	0.3
76.81943	0.1
79.05510	0.6
80.05019	0.7
81.07069	0.6
82.06596	0.2
83.05026	0.1
84.08142	0.5
91.05487	0.5
93.07079	0.6
94.06564	0.8
94.30141	0.1
95.04980	0.2
95.08610	0.3
95.73232	0.1
96.08114	0.6
97.06518	0.2
97.78739	0.1
98.22692	0.2
99.04450	0.2
105.07013	0.6
107.08589	0.3
108.08121	0.3
108.30846	0.1
109.06521	0.3
110.09684	0.7
111.08127	0.1
112.07621	0.1
117.06994	0.2
119.08569	0.5
120.08150	0.3
121.06525	0.2
121.08858	0.1
122.09651	1.4
123.08136	0.1
124.11224	0.2
125.06010	0.3
127.03929	0.2
129.06992	0.2
130.50172	0.1
131.08580	0.3
132.08087	0.1
133.10141	0.1
134.09677	0.5
135.08026	0.2
136.11208	1.0
137.11893	0.1
138.09143	0.2
143.08565	0.2
145.06435	0.1
145.10092	0.3
146.27553	0.1
147.08041	0.2
147.11653	0.2
148.11247	0.3
149.05962	0.3
150.09157	1.4
153.05490	0.2
153.09106	0.2
154.12256	0.2
155.03366	0.2
155.07060	0.2
159.08038	0.2
160.11238	0.2
161.09726	0.2
162.09149	0.2
162.12805	0.4
164.14378	0.5
165.05484	0.3
168.10231	0.9
173.09706	0.2
175.11182	0.3
176.14330	0.2
177.09178	0.1
179.07060	0.1
181.08606	0.4
182.11757	1.8
183.06575	0.2
184.13403	0.9
188.14326	0.1
189.09094	0.2
190.12209	0.1
190.15977	0.2
202.12288	0.2
208.13362	0.3
216.13873	0.2
220.13356	0.4
222.14905	0.2
231.10185	0.2
232.13179	0.1
234.14998	0.2
236.16472	2.5
246.14908	2.6
247.09698	1.5
249.11203	0.7
254.15334	0.2
264.19601	0.4
268.16727	0.1
271.93344	0.1
274.18167	0.1
276.15997	0.4
278.13867	0.2
292.19028	0.4
302.17474	0.3
318.16904	0.7
320.18567	7.5
326.56354	0.1
330.16910	0.1
342.20599	0.3
344.18536	5.1
348.17911	0.2
360.17880	0.5
372.21661	0.2
374.23279	0.3
390.18875	0.2
403.19763	0.3
416.20535	0.2
418.22229	100.0
419.22601	3.0
526.30566	0.1
544.14661	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	836.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38982	0.2
59.17156	0.2
61.02890	0.7
66.29723	0.2
67.05490	0.5
68.99776	0.4
69.03432	3.3
69.81310	0.6
69.81647	0.2
71.04970	0.5
73.02903	0.2
79.05464	0.6
80.05006	0.2
81.03418	1.0
81.07074	0.2
82.06548	0.3
83.01323	0.4
85.02412	0.4
85.02906	6.4
87.04410	0.3
91.03914	0.2
91.05470	0.8
93.07014	0.6
94.06554	0.4
95.04968	0.5
95.08548	0.4
96.08154	1.3
99.04414	0.7
105.03352	0.2
105.07014	0.7
107.04907	0.4
107.08554	0.4
108.08081	0.4
109.02846	0.9
109.06498	0.3
110.09636	0.3
111.00761	0.4
115.03941	0.2
117.06998	0.4
119.08584	0.4
120.08084	1.1
121.02861	1.9
121.03716	0.3
121.06459	0.5
122.09644	0.5
124.11199	0.2
127.03938	1.5
131.08533	0.3
133.02866	0.3
134.09610	0.6
136.11183	0.8
137.02342	0.6
137.05948	0.3
138.12788	3.4
143.08528	0.2
145.04959	1.6
145.06506	0.6
146.09612	0.3
148.07526	0.8
148.11282	0.2
150.09125	0.3
152.10640	0.2
153.01813	2.7
155.03371	0.7
155.07071	0.3
157.06525	0.3
159.11678	0.2
161.05952	0.3
162.09131	0.6
162.12782	1.2
164.10658	0.2
165.01862	1.0
165.05420	0.3
167.07060	0.5
169.10020	0.2
173.05891	0.3
173.09647	0.3
174.12817	0.4
176.14333	0.7
179.07011	0.2
183.02916	0.7
183.06523	0.7
185.06044	0.3
189.05414	0.4
200.10620	0.3
203.07166	0.3
204.13834	7.5
205.08614	0.3
205.14342	0.3
206.15364	0.3
207.06480	0.4
207.10065	0.2
213.05475	1.0
222.14983	0.6
231.06529	0.6
232.16867	0.5
234.18716	0.2
241.04938	0.7
246.14908	0.3
247.09650	0.6
249.11275	0.3
258.05225	0.5
259.05841	0.4
260.16476	1.7
273.11172	0.5
275.12787	2.0
285.11008	0.2
287.05490	100.0
288.05792	2.8
334.20020	0.3
344.18460	1.0
370.20108	0.4
372.17773	0.3
388.21170	56.9
389.21561	3.1
416.20529	0.5
417.20947	0.3
418.22192	1.8
419.22360	0.6
430.22125	0.6
431.22443	0.6
432.23804	1.4
448.23416	3.9
449.10962	0.4
449.23798	3.1
450.24921	4.1
591.00073	0.2
639.20953	0.2
836.44263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90259	1.7
67.05496	3.0
69.03428	6.8
70.06570	1.6
71.16381	1.5
79.05495	3.5
80.05009	1.6
81.03408	2.1
82.42925	1.5
85.02917	4.7
91.05483	2.5
94.06565	5.5
95.04984	1.6
95.07350	2.1
96.08147	9.0
97.02889	2.6
98.23433	3.6
105.07033	3.2
106.31700	1.6
107.07326	1.8
108.04459	2.9
108.08086	11.7
110.09694	10.2
116.05003	2.1
120.04461	3.7
120.08138	13.3
122.06048	9.4
122.09666	4.5
124.07590	7.0
134.05989	3.2
136.07597	19.8
138.05484	2.0
138.09140	13.8
138.12756	1.8
144.04475	4.1
145.10059	3.5
146.05951	7.4
148.07593	8.2
150.09128	5.6
152.07082	3.1
160.03926	2.4
162.05472	1.9
164.07011	2.4
166.08647	24.7
167.06993	1.7
172.03943	22.5
173.09601	2.6
174.05447	1.8
176.07076	2.8
190.05016	14.0
198.09181	2.9
199.12263	2.2
204.06564	37.9
204.13849	3.6
210.09367	1.8
211.08662	3.1
211.12401	1.9
223.08661	2.1
225.10176	10.1
226.08623	1.8
227.11804	12.3
236.09390	2.8
237.10158	6.7
239.11755	4.5
241.09668	5.1
243.11295	15.4
246.14871	5.2
247.09624	5.9
249.10316	5.4
251.08144	3.0
251.11798	8.2
252.08934	1.6
253.09811	9.8
255.11230	4.8
261.10217	1.7
263.08072	2.5
263.11874	5.0
264.08926	4.5
265.09750	8.9
267.11346	9.0
269.12857	15.7
271.10660	9.5
273.12393	2.7
277.09567	3.8
278.10507	3.4
279.11282	16.0
281.09183	2.4
281.12860	3.2
282.09943	2.9
283.10886	8.0
284.11685	3.9
285.12393	16.3
286.13177	2.6
287.13974	14.2
289.09766	7.5
291.11328	3.1
293.09351	3.9
293.12787	4.5
294.10022	3.0
295.10849	4.6
296.11478	3.4
297.12338	9.4
299.13940	2.9
300.10956	2.5
301.11743	3.0
303.13403	14.2
307.10712	6.2
309.12341	4.9
311.10361	3.7
311.13870	3.7
313.11890	3.0
315.13409	6.2
323.10413	10.0
323.13754	2.6
324.10858	2.9
325.11841	23.0
326.12704	3.7
327.13483	6.8
328.10831	2.1
328.14145	2.2
329.15091	2.7
331.17331	1.9
334.20285	2.2
335.10114	10.3
337.12073	3.5
339.09778	2.6
339.13400	24.9
340.10370	2.4
341.11511	3.6
342.12274	5.6
342.16104	3.1
343.12875	6.8
344.18256	7.4
352.10663	1.7
353.11630	4.8
354.12277	4.3
355.12863	10.4
356.13812	4.5
357.14456	24.7
358.15494	2.8
365.11987	1.7
367.12848	21.1
370.15533	4.9
382.11835	3.6
384.13205	3.1
385.14304	2.1
386.14417	2.2
386.18866	2.8
388.16779	2.2
388.21127	11.0
390.17926	4.0
398.14883	17.1
399.15787	22.3
400.16589	2.9
404.16000	6.3
412.16440	4.2
414.18124	5.4
416.15891	14.2
418.22287	2.6
422.16748	2.2
428.15848	3.6
430.17584	4.4
432.23929	13.0
440.16119	8.3
446.17062	8.9
450.24725	4.1
458.17068	25.5
460.18625	3.2
478.19638	4.5
487.17068	10.8
488.18201	7.8
490.19565	7.3
506.18857	3.8
520.20886	8.3
569.24365	2.8
593.23236	2.5
611.25000	100.0
612.25439	4.3
625.22852	2.1
639.67157	1.9
642.26520	4.1
643.27692	24.3
650.22839	5.6
682.26086	77.4
683.26715	10.2
714.28955	13.8
715.29034	4.5
773.30389	37.0
774.29840	2.9
805.32141	7.2
837.45703	27.3
838.35944	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	837.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90259	1.7
67.05496	3.0
69.03428	6.8
70.06570	1.6
71.16381	1.5
79.05495	3.5
80.05009	1.6
81.03408	2.1
82.42925	1.5
85.02917	4.7
91.05483	2.5
94.06565	5.5
95.04984	1.6
95.07350	2.1
96.08147	9.0
97.02889	2.6
98.23433	3.6
105.07033	3.2
106.31700	1.6
107.07326	1.8
108.04459	2.9
108.08086	11.7
110.09694	10.2
116.05003	2.1
120.04461	3.7
120.08138	13.3
122.06048	9.4
122.09666	4.5
124.07590	7.0
134.05989	3.2
136.07597	19.8
138.05484	2.0
138.09140	13.8
138.12756	1.8
144.04475	4.1
145.10059	3.5
146.05951	7.4
148.07593	8.2
150.09128	5.6
152.07082	3.1
160.03926	2.4
162.05472	1.9
164.07011	2.4
166.08647	24.7
167.06993	1.7
172.03943	22.5
173.09601	2.6
174.05447	1.8
176.07076	2.8
190.05016	14.0
198.09181	2.9
199.12263	2.2
204.06564	37.9
204.13849	3.6
210.09367	1.8
211.08662	3.1
211.12401	1.9
223.08661	2.1
225.10176	10.1
226.08623	1.8
227.11804	12.3
236.09390	2.8
237.10158	6.7
239.11755	4.5
241.09668	5.1
243.11295	15.4
246.14871	5.2
247.09624	5.9
249.10316	5.4
251.08144	3.0
251.11798	8.2
252.08934	1.6
253.09811	9.8
255.11230	4.8
261.10217	1.7
263.08072	2.5
263.11874	5.0
264.08926	4.5
265.09750	8.9
267.11346	9.0
269.12857	15.7
271.10660	9.5
273.12393	2.7
277.09567	3.8
278.10507	3.4
279.11282	16.0
281.09183	2.4
281.12860	3.2
282.09943	2.9
283.10886	8.0
284.11685	3.9
285.12393	16.3
286.13177	2.6
287.13974	14.2
289.09766	7.5
291.11328	3.1
293.09351	3.9
293.12787	4.5
294.10022	3.0
295.10849	4.6
296.11478	3.4
297.12338	9.4
299.13940	2.9
300.10956	2.5
301.11743	3.0
303.13403	14.2
307.10712	6.2
309.12341	4.9
311.10361	3.7
311.13870	3.7
313.11890	3.0
315.13409	6.2
323.10413	10.0
323.13754	2.6
324.10858	2.9
325.11841	23.0
326.12704	3.7
327.13483	6.8
328.10831	2.1
328.14145	2.2
329.15091	2.7
331.17331	1.9
334.20285	2.2
335.10114	10.3
337.12073	3.5
339.09778	2.6
339.13400	24.9
340.10370	2.4
341.11511	3.6
342.12274	5.6
342.16104	3.1
343.12875	6.8
344.18256	7.4
352.10663	1.7
353.11630	4.8
354.12277	4.3
355.12863	10.4
356.13812	4.5
357.14456	24.7
358.15494	2.8
365.11987	1.7
367.12848	21.1
370.15533	4.9
382.11835	3.6
384.13205	3.1
385.14304	2.1
386.14417	2.2
386.18866	2.8
388.16779	2.2
388.21127	11.0
390.17926	4.0
398.14883	17.1
399.15787	22.3
400.16589	2.9
404.16000	6.3
412.16440	4.2
414.18124	5.4
416.15891	14.2
418.22287	2.6
422.16748	2.2
428.15848	3.6
430.17584	4.4
432.23929	13.0
440.16119	8.3
446.17062	8.9
450.24725	4.1
458.17068	25.5
460.18625	3.2
478.19638	4.5
487.17068	10.8
488.18201	7.8
490.19565	7.3
506.18857	3.8
520.20886	8.3
569.24365	2.8
593.23236	2.5
611.25000	100.0
612.25439	4.3
625.22852	2.1
639.67157	1.9
642.26520	4.1
643.27692	24.3
650.22839	5.6
682.26086	77.4
683.26715	10.2
714.28955	13.8
715.29034	4.5
773.30389	37.0
774.29840	2.9
805.32141	7.2
837.45703	27.3
838.35944	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	837.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43680	0.2
59.75187	0.2
67.05502	1.0
69.03433	1.5
69.53397	0.4
69.53764	0.4
70.06586	0.5
71.05013	1.1
71.31779	0.2
74.19666	0.2
79.05501	0.7
80.05030	0.5
81.07050	0.7
83.01349	0.3
83.04981	0.4
84.08134	0.4
85.06535	2.0
86.06062	1.6
90.08575	0.2
91.05487	0.8
93.07037	0.8
93.77109	0.2
94.06562	0.7
95.04983	1.0
95.08591	0.4
96.08138	0.7
96.30933	0.2
97.06541	0.4
98.06065	0.3
99.04465	1.0
105.07043	1.3
106.06541	0.3
107.04914	0.4
107.08577	0.3
108.08108	0.5
109.06505	0.6
110.09696	0.4
111.07304	0.4
111.08081	3.7
112.11335	0.2
115.03956	0.3
117.07023	0.3
118.06611	0.2
119.04885	0.2
119.08571	1.0
120.08099	0.6
121.06524	0.5
122.09644	1.4
123.04435	0.5
123.08025	0.3
124.07597	0.3
124.11250	0.4
125.06013	0.5
127.03941	1.2
127.07563	0.2
131.08569	0.3
133.06528	0.5
133.10095	0.3
134.09619	0.9
135.08020	0.4
136.07558	0.4
136.11229	0.7
137.05042	0.2
137.05957	1.1
137.09554	0.2
137.12016	0.4
138.09177	0.5
139.07545	0.9
141.05449	0.4
143.08505	0.3
145.10124	0.3
146.09647	0.4
147.08072	0.7
147.11684	0.5
148.07600	0.3
150.09146	1.6
150.12848	0.2
151.03926	1.7
151.07530	0.3
152.10712	1.5
153.05464	0.5
154.12239	1.5
155.03392	0.9
155.07039	2.6
157.10188	0.2
158.07263	0.2
159.08109	0.2
160.11237	0.6
161.09622	0.5
162.09145	0.4
162.12805	0.2
164.10695	0.5
165.05479	2.8
165.09064	0.2
167.07034	0.5
168.10289	1.3
169.10104	0.2
171.08038	0.2
172.11292	0.2
173.09589	0.3
174.12746	0.2
175.07523	0.3
175.11217	0.5
176.10672	0.4
178.12308	0.7
179.07057	0.3
181.08693	0.3
182.11739	1.5
183.06531	9.8
183.12021	0.2
189.09106	0.5
190.09903	0.2
190.12218	0.2
191.07085	0.3
191.10765	0.3
192.13889	0.6
193.12302	0.3
196.09648	0.3
197.08070	0.5
204.13809	0.2
205.96532	0.2
206.11693	0.3
207.10184	0.3
217.08588	0.3
218.11679	0.3
220.13412	0.3
221.11804	0.5
231.10175	0.4
232.13428	0.3
234.14903	0.7
236.16432	0.5
242.15373	0.3
243.38577	0.2
249.11246	0.6
252.16081	0.2
260.12799	0.2
260.16476	0.5
262.14401	0.3
267.12305	1.1
275.12778	0.6
278.17496	0.5
314.17471	0.3
318.16989	0.6
336.18063	1.2
340.19034	0.3
342.16870	0.8
360.18161	1.4
361.18707	0.4
372.21765	0.3
388.21127	0.7
404.20682	30.0
405.20755	1.0
416.20673	6.5
434.21957	100.0
435.22250	3.3
467.61209	0.2
837.42719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.6
59.04996	0.4
65.03951	0.3
67.05503	1.1
68.05013	0.3
69.03438	2.8
70.06594	3.5
71.04999	0.3
71.30319	0.2
77.33938	0.2
79.05485	0.8
80.05029	0.4
81.07079	0.7
82.06594	0.5
83.01343	0.4
83.04969	0.3
84.08141	1.5
91.05488	0.6
93.07047	0.6
94.06568	1.0
95.08619	0.7
96.08134	1.1
97.08900	0.5
98.09638	0.2
98.22675	0.5
98.35184	0.2
99.04467	0.3
105.07047	0.8
107.08562	0.5
108.08125	0.8
109.06537	0.4
109.08880	0.4
110.09673	2.8
117.07034	0.4
119.08553	0.5
120.08128	0.5
120.33790	0.2
121.06506	0.6
122.09653	1.5
124.07613	0.3
124.11248	0.5
125.05989	0.4
127.48721	0.2
129.07021	0.2
131.08572	0.5
133.10120	0.3
134.09671	1.1
135.08101	0.4
136.11235	0.6
137.09572	0.4
138.09145	1.7
138.12787	0.7
138.22266	0.3
139.07539	0.4
143.08614	0.3
145.06563	0.3
145.10117	0.5
146.09676	0.6
148.11194	0.4
149.05986	0.5
150.09140	0.9
151.07498	0.3
152.10709	0.3
155.07100	0.4
156.41968	0.3
159.34427	0.3
160.08798	0.4
160.11229	0.3
161.09586	0.3
162.09088	0.3
162.12817	1.3
165.05450	0.4
167.07071	0.4
175.07544	0.3
177.09192	0.3
179.69586	0.3
181.08578	0.8
182.11761	0.6
183.06569	0.6
184.13358	0.8
187.07573	0.3
189.09131	0.8
190.12239	0.3
190.16003	0.5
196.13348	1.2
198.14882	3.7
205.08688	0.3
206.06113	0.2
217.08696	0.6
219.10146	0.5
222.06694	0.2
236.16539	0.6
246.14899	7.7
247.09653	7.7
248.16513	0.4
249.11218	4.9
249.13557	0.4
250.11514	0.3
250.18019	2.0
274.17810	0.4
278.21231	1.0
284.12766	0.4
286.14386	0.3
286.18192	0.4
302.14066	0.3
302.17587	0.3
302.74774	0.3
306.20807	0.4
318.17017	1.2
320.18619	1.4
329.16400	0.4
334.20099	7.3
342.17050	0.4
344.18567	12.7
345.18829	0.4
355.08771	0.3
372.21909	0.3
374.19574	1.5
388.21124	3.2
400.21381	0.8
417.21494	1.6
418.22232	9.5
419.22763	0.9
420.23181	0.4
422.70453	0.3
432.23822	28.1
433.24139	0.6
448.23138	1.3
449.23489	2.0
450.24902	100.0
451.25226	2.3
621.12708	0.3
649.67975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15684	0.5
70.07090	1.2
70.07421	1.4
74.09335	0.6
77.03929	1.9
78.04682	0.6
79.05495	0.9
80.86231	0.6
81.54925	0.6
89.41106	0.7
91.05480	10.1
93.07056	3.4
95.04973	9.9
103.05471	5.2
105.03395	100.0
105.04405	5.2
105.07036	5.7
106.04209	1.5
115.05453	1.3
115.83777	0.6
118.04144	1.6
119.04950	5.3
121.06492	9.5
121.07308	0.8
131.04100	0.7
131.04941	4.1
133.06500	4.2
134.03654	2.4
136.05257	3.3
145.02861	1.6
146.03546	0.8
147.04427	2.5
148.05237	2.7
149.05989	15.9
151.07545	11.9
153.05482	1.8
161.05991	10.9
162.06741	1.1
163.07500	3.3
164.04700	1.4
171.37979	0.6
175.07533	1.0
176.04704	1.4
176.08321	9.8
177.05473	6.2
177.09117	4.6
179.07040	5.4
181.05019	1.8
181.08568	9.5
189.09109	3.0
191.07034	18.4
193.08588	3.1
207.06525	63.8
209.08093	30.7
217.08673	1.0
225.07576	3.6
235.09604	1.6
237.07547	1.0
251.09151	26.4
267.08627	5.1
273.62131	0.6
329.10168	23.1
339.12262	2.8
351.12262	0.8
353.13971	1.0
357.13321	0.7
399.14377	17.6
441.15796	1.4
459.16360	1.0
708.51648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	4.4
59.62981	0.9
61.02937	1.1
65.03944	2.3
67.05506	88.8
67.10477	1.2
69.03432	5.7
69.07072	13.2
71.01349	1.5
71.04990	4.8
73.02919	3.2
79.05496	30.7
79.05949	2.0
81.03419	100.0
81.07062	34.7
81.07550	1.2
83.04988	13.1
83.08624	29.3
85.02897	9.5
85.06542	4.0
87.04470	3.4
91.05481	33.6
91.64188	1.0
93.07043	22.4
95.04971	34.3
95.08607	17.3
97.02898	7.5
97.06531	6.7
97.10170	17.6
99.08052	1.3
103.03947	1.5
103.05459	1.3
105.04515	1.4
105.07022	16.0
107.04961	14.9
107.08593	17.8
109.06524	9.5
109.10159	61.0
111.04442	5.5
111.08078	11.0
115.05457	2.2
117.07020	7.3
119.04955	2.0
119.08595	21.4
121.06502	7.6
121.10150	12.3
123.04461	2.6
123.08073	4.1
125.09627	14.2
129.05521	1.8
129.07019	10.7
131.04951	2.5
131.08577	13.3
133.06499	4.7
133.10155	8.4
135.04419	1.6
135.08073	4.9
135.11697	4.4
137.06023	3.0
137.09654	5.2
139.11183	1.5
142.07784	3.0
143.08557	3.4
145.06490	3.5
145.10121	6.4
147.04449	5.2
147.08096	8.3
147.11678	11.7
149.05977	2.3
149.09624	7.8
151.11157	1.5
153.09128	2.7
153.12761	4.9
155.08582	2.4
155.10693	4.9
157.06482	2.3
157.10092	11.2
157.31944	1.2
159.08055	2.0
159.11702	1.4
161.05962	1.6
161.09694	2.6
163.11185	11.3
165.12762	2.3
171.10324	1.6
171.11739	1.3
173.09683	5.0
173.11737	16.0
173.13094	1.1
175.11192	11.6
181.12341	5.2
185.13245	2.2
187.11241	2.2
189.11333	5.4
189.12781	1.8
190.15598	1.2
191.10689	3.1
193.12238	39.1
199.13354	4.1
201.12703	1.2
203.14348	1.4
205.12344	3.2
207.13792	2.2
209.11699	5.9
211.11353	1.9
211.13254	13.4
212.91406	0.9
213.12814	1.5
217.12378	1.6
217.14360	4.1
219.13829	3.4
223.13376	2.2
227.12784	15.9
229.14334	53.9
231.13863	2.9
235.13300	3.5
243.13756	1.4
247.13364	3.4
249.14861	7.7
259.13315	4.1
267.09125	3.1
267.15906	81.6
268.16403	1.0
273.14886	1.7
273.18491	5.1
283.15393	9.1
285.10031	1.4
289.18146	1.6
297.15060	1.1
301.16650	7.5
309.17044	2.0
321.16766	1.6
333.17020	1.3
339.23187	1.7
347.22144	1.8
355.22678	3.2
357.24420	1.3
363.21729	1.7
365.21255	3.5
367.22626	3.4
373.23727	2.5
383.22144	10.6
385.23730	3.8
391.25003	1.8
399.23911	6.8
401.23380	9.8
403.24857	2.6
409.25851	1.2
410.19489	2.3
419.24124	5.0
421.25900	30.8
422.26382	1.2
457.25967	3.1
458.26773	5.3
459.27335	4.5
463.27936	1.2
475.26904	13.2
476.27740	6.1
477.28552	1.9
485.64481	1.3
493.28088	14.1
511.29208	2.7
518.32642	5.6
519.32910	2.6
530.30975	1.1
573.34192	2.1
591.34924	4.8
797.39600	2.5
838.44708	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	3.8
65.03954	3.3
65.17983	1.1
67.05507	83.8
68.89216	1.0
69.03425	5.5
69.07067	16.1
70.71250	1.4
71.01360	2.4
71.04990	5.1
73.02922	2.9
79.05496	33.8
79.05943	2.1
81.03419	100.0
81.07056	37.5
83.04994	12.5
83.08624	28.6
83.09096	2.1
84.08144	1.2
85.02911	8.5
85.06546	2.6
87.04496	4.4
91.05482	31.8
93.07045	23.4
93.07596	1.9
95.04974	33.5
95.08617	15.4
97.02903	7.3
97.06516	6.2
97.10166	16.7
99.04481	1.7
99.08097	1.7
103.03933	1.3
103.05511	1.4
105.04482	1.5
105.07032	19.0
107.04955	16.7
107.08600	15.4
109.06514	9.5
109.10163	63.3
110.10477	1.3
111.04457	5.7
111.08078	10.7
113.06026	1.7
115.05486	2.2
117.07024	7.3
119.04987	2.1
119.08588	25.2
121.02866	1.2
121.06506	7.8
121.10159	12.0
123.04462	3.8
123.08069	6.0
125.06004	1.5
125.09628	13.5
129.05496	3.3
129.07001	13.3
129.55440	1.1
131.04947	2.7
131.08568	14.8
133.06496	5.4
133.10130	7.5
135.04451	1.7
135.08076	5.1
135.11699	6.7
137.05969	1.8
137.09618	5.3
139.11241	1.1
142.07835	2.8
143.08594	2.6
143.10750	2.0
145.06522	3.0
145.10121	7.9
147.04468	5.5
147.08060	7.5
147.11670	10.9
149.06035	1.1
149.09622	8.7
151.11200	1.7
153.12764	6.6
153.54971	1.2
155.10658	6.1
157.06541	2.1
157.08841	1.5
157.10133	13.6
159.08089	1.6
159.11716	1.3
161.09578	3.4
161.13310	1.3
163.11171	12.5
165.12805	2.6
169.10162	2.3
171.10231	1.3
173.06004	1.1
173.09717	2.8
173.11731	12.1
173.13106	1.8
175.11212	13.9
181.12248	6.3
185.09695	1.5
187.11186	1.4
189.09154	1.3
189.11208	4.5
191.10664	5.0
191.14253	1.1
193.12250	35.7
199.11398	1.0
199.13350	3.7
203.14365	2.1
207.13907	1.4
209.11690	7.1
211.11406	1.6
211.13271	8.6
215.14285	1.3
217.14445	2.9
219.13817	4.1
223.13344	2.6
227.12773	18.5
227.14738	1.6
229.14359	37.1
231.13789	3.8
235.13348	3.6
241.14438	1.5
243.13864	1.1
247.13303	1.8
249.14830	5.3
259.13266	5.3
261.18655	1.3
267.15924	83.7
273.15054	1.7
273.18439	4.1
283.15366	13.8
289.14987	1.2
289.18073	2.1
293.17435	1.2
301.16669	7.3
309.16940	1.7
321.16998	1.4
329.20886	1.7
337.21848	1.2
349.21558	2.0
355.22751	2.6
357.24219	1.5
365.21353	2.3
367.22708	4.8
373.23645	2.6
383.22156	8.2
385.23590	3.9
399.23773	11.6
401.23190	7.2
403.24832	2.2
409.25818	1.2
419.24146	2.2
421.25827	22.4
457.25803	5.0
458.26608	9.7
459.27478	5.3
475.26859	17.1
476.27719	15.6
477.28592	5.1
493.27960	12.5
511.28970	5.1
518.32251	3.4
519.33203	1.6
573.34320	1.9
591.35199	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64367	1.3
65.03945	2.9
67.05505	46.9
69.03440	2.6
69.07073	8.9
71.04996	2.3
71.08621	1.8
77.03936	1.7
79.05495	33.5
81.03429	4.0
81.07053	34.6
83.04985	3.2
83.08611	5.8
85.02908	1.9
85.06551	9.5
89.44044	1.5
91.05485	35.0
93.07047	35.0
95.04970	41.0
95.08611	20.8
97.06546	4.3
97.10162	2.4
98.22622	3.3
105.04522	1.6
105.07034	34.3
107.04954	8.1
107.08595	18.8
109.06518	46.3
109.10135	8.1
111.08080	1.8
113.06008	34.5
113.06751	3.1
117.07024	15.4
119.08587	19.5
121.06512	7.8
121.10135	11.7
123.08059	4.7
123.11671	2.1
127.92417	1.4
128.06206	3.6
129.06993	9.1
131.08559	24.2
133.06465	2.7
133.10139	19.5
133.59406	1.5
135.08058	33.5
135.11716	8.7
137.05910	1.9
137.09592	1.5
141.06960	1.9
141.09219	1.5
143.08549	9.6
145.10109	17.1
147.08064	3.4
147.11664	13.1
149.09622	4.8
149.13263	5.4
155.06116	1.6
155.08508	2.6
157.10133	7.3
159.08015	2.0
159.11707	11.1
161.09619	7.8
161.13248	9.9
163.11212	3.1
169.10109	3.5
171.11662	8.4
173.13278	6.2
175.11191	3.7
175.14850	3.8
177.12711	3.7
183.11763	2.8
184.07268	2.8
185.13319	3.0
187.11328	2.1
187.14876	2.9
197.13213	2.0
199.14827	5.3
201.16310	2.3
217.15787	8.7
223.28607	1.4
237.16519	1.8
239.17961	2.3
241.19513	6.5
255.17401	3.2
257.19196	2.4
259.20560	13.9
273.18457	18.5
275.20117	3.1
279.15616	1.7
291.19565	59.7
315.23151	5.3
327.26804	1.9
333.24246	38.4
342.24286	6.3
347.22214	10.6
349.23737	1.7
365.23260	18.7
513.36865	1.6
565.38824	2.9
569.39398	2.1
595.42896	1.8
605.42078	17.1
623.43073	100.0
624.43152	4.7
641.43860	5.5
838.42438	2.3
838.55896	2.6
839.42749	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	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	5.6
67.05505	86.9
67.05869	4.3
69.03427	8.5
69.07067	26.5
69.50823	9.7
71.04992	7.3
73.21520	2.5
79.05495	70.6
81.03426	11.1
81.07059	90.6
83.04978	12.0
83.08630	16.0
85.02898	4.2
85.06559	8.9
86.09734	4.0
91.05479	100.0
92.22792	2.0
93.07047	78.2
95.04964	14.9
95.08605	49.1
97.02908	4.7
97.06538	11.5
97.10186	8.0
98.23421	4.3
99.04456	3.2
99.08090	4.4
105.04523	5.0
105.07031	97.5
107.04970	10.4
107.08587	55.2
107.09258	4.3
109.06506	10.7
109.10149	54.9
111.08080	6.0
113.05997	2.9
115.05463	4.4
117.07022	27.9
119.04971	3.0
119.08583	58.8
121.06511	8.4
121.10140	23.5
123.04502	2.7
123.08056	6.7
123.11705	8.7
125.09670	3.3
128.06184	3.0
129.06981	14.3
130.07732	2.2
131.08568	39.9
133.06500	7.5
133.07396	2.1
133.10123	92.8
135.08049	13.6
135.11688	19.1
137.09630	4.4
142.07751	4.7
143.08578	20.6
145.06543	2.8
145.10129	22.5
147.08083	6.6
147.11678	35.5
149.09616	9.9
149.13290	8.0
151.11183	29.6
153.06900	2.2
155.08513	4.4
156.09285	3.3
157.10152	13.7
159.08087	3.3
159.11656	21.6
161.09685	6.3
161.13278	20.3
163.11243	4.1
165.58458	2.2
169.10165	4.2
169.12273	4.6
171.11720	16.8
173.13203	11.9
175.11214	4.8
175.14842	7.7
179.14290	3.0
181.10213	3.7
183.11714	7.2
184.07355	6.2
185.13284	14.0
187.14944	3.5
195.11783	2.9
199.14819	5.6
201.16516	3.3
209.13383	3.7
213.16460	2.7
215.12735	4.5
229.14302	5.4
231.20999	5.4
241.19569	21.0
253.14339	76.6
257.19006	3.5
259.20575	60.9
259.23181	4.8
261.22214	4.6
271.15210	2.6
273.18497	15.1
275.20090	4.0
289.17911	10.1
291.19501	15.7
313.21494	3.0
315.23160	10.5
325.27533	3.5
333.20578	4.2
333.24237	52.3
335.25897	10.8
347.22214	5.1
353.28525	2.5
363.21677	6.3
365.23248	33.9
381.22702	4.5
389.22110	2.3
419.29233	3.2
424.72617	2.3
437.30386	4.4
455.31924	6.0
479.37238	4.8
501.35446	3.3
511.34265	17.2
513.36304	2.9
525.35986	3.9
529.35449	24.3
531.37756	6.3
549.39270	5.0
605.42139	10.8
609.45050	3.0
623.43024	53.9
641.44391	16.5
862.99249	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.9
64.37560	3.0
65.03943	6.3
67.05163	3.2
67.05510	56.1
69.03420	10.5
69.07070	36.2
69.64545	4.9
69.64954	7.7
71.04996	5.1
71.85207	2.3
73.02937	2.8
79.05492	60.2
79.91522	2.7
81.03413	7.7
81.07057	51.4
83.04980	7.9
83.08623	17.0
85.02901	2.7
85.06535	3.4
86.09682	4.5
87.04464	4.4
91.05484	69.0
93.07045	55.2
95.04986	12.9
95.08614	31.1
97.02895	9.6
97.06512	5.9
97.10164	24.2
105.07032	66.8
107.04967	9.6
107.08596	41.8
109.06512	9.6
109.10155	17.8
111.08128	2.9
117.07036	25.8
119.08588	58.2
121.06501	5.2
121.10143	24.2
123.08048	5.1
123.11721	5.9
125.09647	16.1
128.06311	4.7
129.07005	14.0
131.08554	29.5
133.06508	3.3
133.10143	37.9
135.08044	9.4
135.11723	14.6
136.06175	3.0
137.09619	2.7
141.07001	5.8
143.08554	11.8
145.10136	25.6
146.24475	3.0
147.08031	5.7
147.11682	26.3
149.09651	2.9
149.13284	7.7
153.09088	3.5
155.08615	5.5
157.10120	12.9
159.11719	18.7
161.13254	23.0
163.11177	4.8
167.08591	2.6
169.10173	6.9
171.11629	14.7
173.13269	9.5
175.11201	4.8
175.14815	10.2
177.12799	4.3
183.11674	6.4
184.07358	5.6
185.13263	8.6
187.14767	3.4
189.11224	8.0
195.11795	2.5
197.13329	4.1
198.09941	3.0
199.14790	5.6
211.14850	3.4
213.16286	4.5
223.13194	18.8
227.12814	12.0
231.17525	3.2
231.21060	6.9
241.19545	26.0
249.14848	3.5
259.20609	52.0
273.18442	12.6
275.20062	9.6
289.17715	3.4
291.19537	100.0
292.19717	2.9
299.23553	2.8
315.23068	9.2
333.24234	61.5
335.25522	3.4
349.23996	4.0
365.23199	43.2
379.29846	6.2
390.37082	2.9
513.36792	3.5
525.35535	11.1
529.35217	4.8
531.38123	6.1
543.36786	20.2
605.41888	9.2
623.43060	72.5
641.43683	11.8
780.45410	7.6
844.14075	3.5
868.01984	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	838.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86576	1.3
67.05501	6.8
69.07072	11.0
71.07371	4.5
71.08636	2.0
71.46369	1.2
79.05507	1.4
80.16004	1.0
81.07044	6.3
83.08618	7.6
85.10196	1.1
86.09705	24.6
91.05491	2.2
93.07040	2.9
93.88600	1.0
95.08621	6.9
95.74377	1.0
97.06480	1.4
97.10166	3.4
104.10731	5.0
105.07027	1.5
107.08612	2.2
109.10161	3.3
111.11685	2.1
121.10152	3.0
131.04968	1.6
133.06415	1.5
135.04375	2.3
135.11691	2.4
146.98172	44.0
204.94356	1.0
214.12173	1.0
225.47499	1.1
246.98280	1.0
247.24236	1.3
339.28894	17.9
426.47858	1.3
485.26404	31.6
514.44763	1.3
544.33722	100.0
545.33862	3.2
546.42096	1.2
839.33423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04519	0.2
65.03931	0.1
67.05502	1.0
67.92519	0.1
69.03428	0.3
70.02932	0.1
71.05001	0.8
77.35719	0.1
79.05502	0.6
80.05009	0.6
81.03411	0.1
81.07056	0.4
82.06566	0.1
83.01342	0.5
83.04986	0.2
84.04507	0.1
85.06557	0.4
91.05482	0.8
92.59943	0.1
93.07028	0.5
94.06562	0.2
95.04977	0.6
95.08592	0.2
96.04536	0.1
97.06544	0.2
98.22655	0.2
99.04453	0.3
100.64073	0.1
103.05417	0.2
106.06548	1.3
107.04961	0.8
107.08591	0.2
108.08151	0.2
109.06515	0.3
110.06051	0.3
111.08083	0.2
112.07624	0.1
113.05990	0.2
115.04038	0.1
115.05449	0.2
117.07032	0.3
118.06547	0.4
119.04902	0.1
119.08604	0.3
120.08123	0.1
121.06522	0.4
122.09684	0.2
123.04450	0.1
123.08072	0.2
124.07586	0.1
125.05904	0.1
126.09171	0.1
127.03878	0.5
128.06239	0.2
129.06987	0.5
130.06522	0.4
131.04938	0.2
131.07660	0.1
131.08588	0.4
132.08142	0.3
133.06490	0.5
134.09665	0.7
135.08107	0.2
136.07545	0.2
137.06007	0.4
140.10718	0.1
141.05482	0.4
141.06931	0.1
142.07803	0.2
142.12274	0.2
144.08092	0.2
145.06529	0.5
145.10130	0.3
146.06021	0.1
147.08084	0.3
148.07555	0.2
149.05997	0.2
149.09612	0.1
150.09178	0.2
151.07501	0.2
152.10707	0.5
153.05438	0.2
155.03362	0.9
155.07066	0.6
155.08508	0.3
157.10168	0.2
158.07289	0.1
159.08069	0.3
160.07603	0.2
161.09602	0.2
162.09093	0.1
165.05487	1.0
165.09161	0.1
167.07115	0.6
167.08374	0.1
168.10202	0.1
170.11830	0.7
172.11241	0.5
173.05965	0.2
173.09607	0.4
175.07581	0.3
177.09074	0.2
179.07039	0.2
179.10976	0.1
183.06549	1.0
183.08080	0.3
185.09630	0.4
186.10498	0.1
187.07518	0.2
187.11115	0.2
189.09041	0.2
189.12683	0.2
190.12306	0.2
191.07080	0.2
195.06557	0.3
195.08093	0.2
197.09660	0.1
199.11185	0.2
200.46220	0.1
201.09045	0.2
205.08676	0.2
205.12180	0.2
207.06458	0.5
207.10178	0.2
211.07458	0.2
212.08234	0.1
213.05542	0.1
213.09161	0.4
215.10678	0.3
217.08650	0.2
218.11829	0.5
219.10204	0.2
220.07269	0.2
220.13371	0.1
225.09198	0.2
227.07045	0.1
229.08716	0.2
236.12784	0.2
241.08777	0.1
243.10231	0.2
245.11804	0.1
246.14882	0.1
247.09715	0.4
249.11273	0.2
261.11267	1.0
263.09012	0.5
271.09512	0.2
273.11218	1.8
275.12845	0.3
290.13855	0.3
292.15485	0.2
294.16968	0.1
295.09854	0.1
300.12131	0.1
309.11264	0.2
331.15472	0.1
343.15393	0.2
377.18375	0.2
384.17883	0.3
402.18854	0.1
420.20157	100.0
421.20508	2.6
651.00824	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	839.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94328	0.2
67.05505	1.0
68.05026	0.2
68.67883	0.2
69.03426	3.6
70.00402	0.2
70.06590	3.5
71.05000	0.2
71.44335	0.2
79.05497	0.5
80.05020	0.5
81.07053	0.9
82.06585	0.3
83.01344	0.4
83.04950	0.2
83.07333	0.2
84.08162	1.0
85.02914	0.2
91.04958	0.2
91.05500	0.7
93.07049	0.8
94.06580	0.9
95.04964	0.2
95.08601	0.6
96.08125	1.3
97.06519	0.4
97.08921	0.6
99.04436	0.4
105.07024	0.7
106.06559	0.4
107.07365	0.3
107.08587	0.6
108.08125	0.7
109.08997	0.2
109.10127	0.2
110.09680	1.6
111.08072	0.6
119.08564	0.5
120.08095	0.6
121.06508	0.4
121.08884	0.2
121.10098	0.2
122.09670	1.3
123.08079	0.3
124.11228	0.5
125.06004	0.4
127.03925	0.5
129.07001	0.3
131.08566	0.3
133.06554	0.3
134.09677	0.8
135.08073	0.7
135.10500	0.3
136.07507	0.3
136.11224	0.7
137.05981	0.4
138.09128	1.0
138.12761	0.3
139.07579	0.2
141.05458	0.3
142.12318	0.2
145.06483	0.4
145.10123	0.5
146.09631	0.2
148.07640	0.2
148.11243	0.5
149.06047	0.4
149.09628	0.2
150.09164	0.8
150.12779	0.3
151.07545	0.4
152.10716	0.7
153.05504	0.3
153.09172	0.2
154.12296	0.5
155.03368	0.5
155.07085	0.5
158.09550	0.2
159.08043	0.5
160.11209	0.3
161.09645	0.4
162.06781	0.2
162.12788	0.8
163.07492	0.2
163.11272	0.2
164.10721	0.3
164.14372	0.2
165.05505	0.4
165.09154	0.3
167.07103	0.3
168.10213	0.6
170.11812	0.2
173.06026	0.2
173.09660	0.5
177.09296	0.2
179.07039	0.5
181.08600	0.8
182.11755	2.0
183.06497	0.9
184.13321	4.9
188.14296	0.2
189.09125	0.8
190.12416	0.2
190.15936	0.2
191.07092	0.4
191.10716	0.3
193.08685	0.2
196.13416	0.5
198.12656	0.2
202.12279	0.3
203.06972	0.2
207.06625	0.3
208.13324	0.4
210.14925	0.5
217.08730	0.4
218.11917	0.2
219.06570	0.4
220.13336	0.5
221.08234	0.3
221.11760	0.2
234.08859	0.3
234.14944	0.5
236.16423	2.1
244.17278	0.2
246.14891	4.7
247.09650	4.8
247.15192	0.2
248.16606	0.3
249.11220	4.9
250.18216	0.3
254.17723	0.3
259.77972	0.2
261.17026	0.2
262.18130	0.2
264.19705	0.7
275.12744	0.4
276.15924	0.2
278.14035	0.2
286.17999	0.2
292.19009	0.4
302.14111	0.3
302.17471	0.3
318.16879	1.0
320.18549	8.0
330.16742	0.4
336.09442	0.2
342.16913	0.4
342.20566	0.4
344.18561	7.0
360.18008	1.8
374.22900	0.2
386.19608	0.5
400.21310	1.0
403.19843	1.1
404.14938	0.3
404.20648	19.8
405.20981	1.1
406.22235	3.4
418.22232	22.5
419.22366	0.7
420.20065	4.4
434.21753	1.4
435.21915	0.6
436.23285	100.0
437.23630	3.0
839.42657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00773	0.1
67.05498	0.3
68.05026	0.2
69.03437	1.4
69.07050	0.3
70.06583	0.2
71.04979	0.1
71.44617	0.1
71.45067	0.1
74.03683	0.1
77.03981	0.1
79.05486	1.0
79.10342	0.1
80.05020	0.2
81.07059	1.3
82.06591	0.6
83.01340	1.3
83.07365	0.7
84.08136	0.1
85.02901	0.2
85.06560	0.2
86.06068	0.6
87.04481	0.1
91.05485	0.5
93.07051	0.6
94.06584	0.2
95.04974	0.4
95.08614	0.3
95.92637	0.1
96.08128	1.1
97.06532	0.2
97.08890	0.1
98.06060	0.4
98.09691	0.2
99.04475	0.2
100.11253	0.9
105.07027	0.5
106.06602	0.2
107.04968	0.2
107.08588	0.3
108.08125	0.4
110.06051	0.1
110.09689	0.2
111.08090	1.6
114.05542	0.1
115.03934	0.8
117.07006	0.3
119.04938	0.1
119.08554	0.3
120.08102	0.3
121.06509	0.4
121.10139	0.3
122.09659	0.3
123.04501	0.1
123.08064	0.4
124.03970	0.1
124.11227	1.1
126.09178	0.1
126.12791	0.4
127.03932	0.4
127.06290	0.1
128.10689	0.5
129.05490	0.6
131.08568	0.3
133.06522	0.2
134.09674	0.2
135.08078	0.2
136.07588	0.2
136.11203	0.5
137.08553	0.1
137.09622	0.3
138.12776	0.4
140.07104	0.3
141.07835	0.2
142.12257	0.2
143.03404	0.6
143.08554	0.1
145.04948	0.2
145.06522	0.1
145.10190	0.1
147.08052	0.3
147.11629	0.2
148.11238	0.3
149.09624	1.0
150.09164	0.1
150.12762	0.2
151.07579	0.1
152.07106	0.2
152.10718	1.6
152.14352	0.1
154.08630	0.3
154.12265	0.6
155.07088	0.1
157.04958	0.6
159.08105	0.3
159.11592	0.1
160.11133	0.2
161.05991	0.2
162.12791	0.8
163.07581	0.2
164.07097	0.3
164.10741	0.1
164.14378	0.5
165.05507	0.2
165.09155	0.3
166.12383	0.1
168.10237	0.1
169.08498	0.2
170.11775	2.1
172.03835	0.2
174.12836	0.2
175.07562	0.2
176.10741	0.1
176.14311	0.6
177.09198	0.2
177.12813	0.2
177.15114	0.1
178.08630	0.1
178.15892	0.2
181.04973	0.3
181.12299	0.1
183.06583	0.2
188.10730	0.1
190.12280	0.1
190.15948	0.1
191.07149	0.1
193.08678	0.2
194.11771	2.8
195.06593	0.2
195.10205	0.2
196.13365	0.2
202.15813	0.1
204.06572	0.2
204.13878	0.1
204.17532	0.3
206.19066	0.3
207.06558	0.3
208.13326	2.4
210.15025	0.2
215.14302	0.2
216.17583	0.2
220.13298	0.6
221.08070	0.2
222.14822	0.5
223.09666	0.2
231.10188	0.2
232.17049	0.2
233.15387	0.3
234.18582	0.4
235.09703	0.3
236.16534	0.1
243.11346	0.2
245.15370	0.1
248.16589	0.2
250.18048	1.9
258.14908	0.1
260.16440	0.1
261.12350	0.2
262.17996	1.3
273.11133	0.6
278.17517	3.6
285.12457	0.2
287.05542	1.4
292.19098	0.1
294.20676	1.3
303.13382	0.5
310.20132	2.2
321.14386	0.9
338.19644	0.2
376.21164	0.2
386.19839	0.2
388.21100	0.1
404.20712	1.5
406.21915	0.1
415.14255	0.2
436.23300	100.0
437.23691	3.2
521.88885	0.1
627.24109	0.2
659.26660	0.2
839.44476	0.2
864.22571	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	839.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37258	0.6
64.51049	0.6
68.80601	0.5
69.48102	0.5
71.21323	0.9
72.86034	0.6
78.71346	0.6
93.63470	0.5
100.52754	0.6
128.58086	0.5
160.48396	0.6
162.89456	0.6
181.94081	0.6
189.53424	0.6
251.56549	0.6
585.33606	1.1
599.35565	0.8
600.36725	1.3
839.45465	100.0
840.45801	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	839.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.8
69.03429	5.1
69.37907	2.1
70.06592	4.7
71.04993	1.1
71.06947	0.4
79.05504	0.9
80.05029	0.8
81.07058	4.3
84.08148	1.7
85.14967	0.4
91.05499	0.6
93.07044	1.0
94.06593	0.6
95.04958	0.5
95.07379	0.4
95.08011	0.3
95.08613	0.9
96.08147	1.7
97.02895	0.7
97.06532	0.6
97.08983	0.6
105.07061	1.2
107.08588	2.8
108.08150	0.5
109.06504	2.1
110.09684	2.0
111.08105	1.5
111.99648	0.4
119.08600	0.9
120.08089	0.6
122.09651	2.3
123.04433	0.5
123.08076	1.1
124.08856	2.4
124.11215	0.6
125.09616	0.5
131.08585	0.6
135.08113	1.2
136.08514	0.4
136.11240	1.4
137.05975	17.4
150.09193	1.3
151.09488	0.5
152.10732	0.9
162.12775	1.9
164.14377	0.8
166.15959	0.4
168.10168	0.6
175.11243	0.8
179.16728	0.5
182.11845	1.3
184.13448	0.8
185.09528	0.5
187.11243	0.5
188.29559	0.4
190.15985	1.0
191.16234	0.4
198.14972	2.1
198.16725	0.5
218.15462	0.7
221.11717	7.4
221.13660	0.5
236.16545	1.5
237.16733	0.4
246.14838	0.8
248.15315	0.6
250.14291	0.6
250.18028	5.0
272.75742	0.4
276.16101	0.6
278.21094	2.2
290.17560	0.7
292.19156	1.7
306.20593	1.2
316.19058	8.7
316.22556	0.6
320.18607	1.3
321.18942	1.5
322.19266	1.6
323.19379	1.0
324.21942	0.6
344.18622	0.9
345.18939	1.0
346.19244	0.9
362.18933	0.5
390.22736	9.4
390.27563	0.7
404.24316	39.3
405.24835	1.1
418.22174	7.4
419.22556	18.0
420.22818	26.1
421.23105	19.9
422.25446	100.0
423.25894	2.1
436.23157	0.7
504.38666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	4.0
65.03942	2.4
67.05508	78.8
69.03429	5.1
69.07068	9.0
71.05011	8.4
73.02940	3.6
79.05504	30.0
81.03419	100.0
81.07062	33.7
82.03751	1.5
82.51372	1.6
83.04996	12.0
83.08624	26.9
85.02912	10.4
85.06554	2.5
87.04472	3.4
88.74913	1.4
91.05481	28.2
93.07054	23.1
95.04974	32.4
95.08623	14.6
95.13087	1.3
97.02901	6.4
97.06547	6.1
97.10173	17.4
97.44048	1.4
99.08112	1.8
103.05391	1.5
105.07040	20.6
107.04952	16.4
107.08609	16.9
109.06521	6.5
109.10164	58.3
111.04469	4.1
111.08099	9.9
115.05462	2.6
117.07041	5.8
119.08584	21.3
121.02871	2.1
121.06504	8.6
121.10169	9.1
123.04391	3.6
123.08049	3.3
125.09640	11.9
129.06995	13.7
131.08600	12.6
133.06500	5.7
133.10165	6.1
135.08063	4.5
135.11691	7.7
137.09645	4.5
142.07758	1.5
143.08600	1.9
145.06480	3.0
145.10083	7.4
147.04379	6.8
147.08076	6.6
147.11729	12.2
149.09647	6.9
153.09096	2.1
153.12770	5.0
155.10667	2.7
157.10135	12.2
159.11725	2.1
161.06007	1.5
161.09651	1.7
163.11176	11.4
165.12781	2.4
173.09677	1.8
173.10211	1.7
173.11743	16.8
173.13147	2.7
175.11195	10.9
181.12239	4.9
184.07437	3.3
185.13359	2.6
187.11171	2.0
189.11250	5.5
191.10748	4.8
191.14359	2.3
193.12268	34.1
199.13240	2.1
202.21095	1.4
203.14355	1.7
205.12221	3.8
207.13669	2.2
209.11742	8.7
211.13333	9.2
213.12665	2.1
217.12289	2.6
217.14278	2.0
219.13821	4.8
221.15375	1.6
223.13339	2.4
227.12767	19.0
229.14345	41.3
231.13771	3.6
234.26184	1.5
235.13400	3.3
247.13310	3.2
249.14986	6.9
259.13300	6.3
267.15903	92.4
273.14911	1.7
273.18103	1.4
275.20026	2.6
283.15393	15.7
291.19580	2.7
293.17450	2.2
301.16684	10.1
333.24048	1.5
355.22736	2.7
365.21002	1.9
367.22693	3.0
373.23599	1.9
383.22049	9.0
385.23657	4.3
401.24878	10.3
403.24792	2.0
408.12564	1.8
409.26010	1.9
421.25900	24.9
457.25729	4.5
458.26718	10.0
459.27197	5.1
475.26968	18.4
476.27737	16.2
477.28491	3.6
493.28046	14.7
511.28955	3.5
552.83423	1.5
557.34204	2.0
593.36456	5.5
638.92725	1.6
732.52966	1.8
840.42603	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.4
61.47939	1.9
65.03943	4.5
67.05505	100.0
69.03423	17.4
69.07066	57.7
69.42983	2.0
69.50011	8.0
71.04987	21.9
73.02911	10.3
76.32119	1.8
77.03931	2.9
79.05489	79.9
81.03419	16.8
81.07054	92.0
83.04980	15.6
83.08624	18.4
85.02914	8.2
85.06533	5.8
91.05479	58.6
93.07041	84.8
95.04968	24.8
95.08607	65.2
95.09213	3.4
97.02905	13.9
97.06525	68.1
97.10181	6.4
99.04455	4.6
99.08073	5.3
105.04532	5.4
105.07030	43.0
105.07729	2.7
106.33271	1.9
107.04958	12.2
107.08591	40.7
107.09261	3.4
108.68783	1.9
109.02890	4.6
109.06522	20.7
109.10145	24.7
111.04488	2.5
111.08074	5.2
113.06039	2.6
115.05383	2.6
115.07565	29.1
117.07018	23.6
119.08578	33.7
121.06509	9.8
121.10151	39.4
123.08074	7.2
123.11734	8.3
125.09617	4.9
127.03909	5.9
128.06232	3.3
129.05527	2.3
129.06995	11.4
131.08565	30.9
131.56279	2.2
133.06488	4.3
133.10110	25.4
135.08086	15.8
135.11700	20.9
137.09653	4.1
141.07030	4.8
141.82344	2.4
143.08554	9.4
145.10121	21.5
147.08031	13.5
147.11635	12.0
149.09637	7.3
149.13269	10.3
151.11156	5.4
155.08560	5.3
157.10156	9.6
159.11665	15.8
161.09619	9.0
161.13278	6.3
163.11169	5.7
163.14806	2.3
169.10220	4.4
171.11719	8.2
173.04439	3.4
173.09612	3.6
173.13297	7.6
175.11221	3.4
175.14937	4.2
177.09274	2.1
181.09999	3.0
183.34271	2.1
185.09554	2.5
185.13312	3.8
187.14844	4.9
195.11646	3.1
195.13730	2.3
199.14818	4.5
209.13252	2.7
217.15952	8.6
224.16780	2.1
227.18045	3.4
233.15437	3.7
245.18927	4.2
253.14278	2.6
255.17506	3.3
257.19000	2.4
259.20547	2.4
261.22232	7.5
267.15845	3.3
269.17371	11.1
273.13684	2.5
273.18484	31.4
275.20105	3.7
287.73801	2.2
291.19614	19.8
301.84235	2.3
302.08051	2.4
307.18982	4.5
309.20700	2.1
327.07370	2.6
333.24115	3.6
335.25797	84.3
347.22025	11.9
354.76462	2.4
365.23248	13.1
515.37866	3.8
529.39136	17.1
607.43250	8.4
625.44586	26.6
643.45410	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	8.1
65.03945	5.8
67.05508	99.2
69.03432	25.8
69.07072	64.4
71.01339	2.8
71.04994	24.0
73.02921	7.3
74.21976	2.1
77.03959	2.3
79.05497	90.4
81.03429	28.2
81.07059	85.8
83.04979	13.7
83.08624	13.7
83.33424	2.2
85.02894	11.9
85.06561	4.0
86.50865	2.5
91.05484	66.4
93.07047	82.0
95.04978	24.3
95.08611	58.7
95.09218	3.3
97.02907	12.1
97.06537	100.0
97.10181	5.8
99.04491	2.5
99.08105	7.6
103.05481	2.6
105.04530	5.4
105.07034	41.8
107.04975	8.6
107.08596	44.7
109.02888	4.6
109.06516	22.5
109.10158	22.0
111.04492	2.2
111.08097	5.5
114.52145	2.0
115.07578	36.9
117.07024	21.1
119.08591	26.1
120.09007	2.1
121.06496	7.3
121.10156	29.4
121.23023	2.0
122.63611	2.0
123.04410	3.2
123.08084	7.5
123.11730	7.5
127.03938	9.0
128.06227	4.3
129.05478	2.6
129.07040	7.6
131.08582	29.7
133.06519	6.6
133.10127	24.4
135.08076	13.3
135.11684	15.6
137.09631	5.5
141.07054	2.8
143.08600	7.5
145.06406	2.9
145.10139	16.9
147.07957	3.6
147.11711	10.7
149.09650	6.0
149.13216	14.2
151.11153	5.2
155.08565	4.5
157.10146	10.6
159.08081	4.0
159.11693	16.9
161.09660	5.7
161.13300	7.2
163.11168	6.1
163.14915	4.0
169.10187	3.6
171.11731	6.2
173.04485	6.7
173.09616	2.9
173.13278	9.3
174.99045	2.0
175.11159	5.3
175.14761	3.4
177.12737	3.5
184.07370	6.0
185.13292	6.0
187.11230	3.3
187.14867	2.6
195.11768	2.6
195.13869	3.2
199.14815	5.5
201.07620	2.2
203.14313	2.4
205.15897	2.4
213.16440	2.6
217.15979	10.5
221.13464	2.3
221.15450	3.6
227.12701	4.3
227.17998	2.5
233.15314	3.5
237.16417	5.3
243.21104	3.8
245.19031	3.7
253.14398	5.9
259.20572	3.7
261.22162	9.0
263.19949	1.9
267.15967	3.5
269.17456	27.7
273.18500	31.0
275.20102	5.0
291.19550	21.9
297.16800	5.0
307.18945	4.3
333.24350	5.1
335.25818	87.1
336.25772	2.5
347.22205	8.7
349.23499	2.8
363.25238	2.3
365.23224	14.5
383.24277	3.5
413.21497	2.7
484.60587	2.4
515.37384	4.9
529.38983	34.0
531.36694	2.8
557.38257	3.6
585.41376	2.6
607.43542	9.8
625.44745	22.5
643.45972	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	2.1
61.02928	4.5
65.03944	6.6
66.78838	1.2
67.05505	98.0
69.03427	10.8
69.07066	41.8
71.04991	7.1
73.02912	2.5
77.03956	2.4
78.22961	1.2
79.05493	84.4
80.05804	1.6
81.03420	12.4
81.07056	100.0
82.49017	1.2
83.04987	10.8
83.08622	24.0
85.02898	7.9
85.06544	4.8
88.41945	1.3
91.05481	93.2
93.07043	93.9
95.04977	20.3
95.08607	67.3
96.08945	1.3
97.02915	4.8
97.06530	13.2
97.10160	15.3
97.45699	1.2
98.22709	4.0
99.08089	3.6
103.03960	1.3
103.05492	2.9
105.04537	5.0
105.07030	89.9
107.04957	8.4
107.08595	59.7
108.08926	1.5
109.02943	1.7
109.06522	8.7
109.10162	29.7
111.04393	1.9
111.08073	7.0
113.09591	1.7
115.05478	5.0
117.07015	33.6
119.06188	1.5
119.08579	66.2
121.02867	9.2
121.06518	5.1
121.10142	36.7
123.08065	5.3
123.11699	7.6
125.09626	10.0
127.03942	2.9
128.06200	6.4
129.06993	24.0
130.07750	1.5
131.08563	46.8
133.06514	3.0
133.10132	54.4
135.08075	5.7
135.11691	24.8
137.09644	4.9
137.13300	1.7
139.11160	2.2
141.07019	6.3
142.07811	4.7
143.08560	26.2
144.09319	2.9
145.06497	3.0
145.10124	42.0
147.08043	3.4
147.11682	38.8
149.09615	10.6
149.13251	12.8
151.07509	1.3
151.11177	3.5
153.06960	2.0
153.09195	1.5
155.08519	11.5
156.09412	2.1
157.10121	22.9
159.08015	2.1
159.11708	31.2
161.09610	4.4
161.13260	18.9
163.11182	8.5
163.14822	3.3
165.12764	2.5
167.08549	6.2
168.09421	2.2
169.10110	15.0
171.10315	2.8
171.11679	22.0
173.04472	3.1
173.09683	2.7
173.11850	1.9
173.13239	19.5
175.11180	3.3
175.14822	8.6
177.12732	3.1
179.08568	3.1
179.14323	3.4
181.10150	7.1
181.12198	1.4
182.10956	2.4
183.11690	15.6
184.07306	1.8
185.09663	1.9
185.13252	14.1
186.13901	1.3
187.11191	2.3
187.13385	1.4
187.14804	7.8
189.11209	4.8
189.16400	2.5
191.07065	2.1
193.10188	4.4
193.12366	1.4
195.10194	1.3
195.11717	7.0
195.13641	2.1
197.13243	9.1
199.11163	1.7
199.13205	2.1
199.14803	10.5
201.12709	1.9
201.16458	3.9
203.14340	2.3
207.11690	3.2
209.08060	1.5
209.13268	7.2
211.14774	7.4
213.12662	1.3
213.16508	3.5
215.14398	1.9
215.17912	1.7
221.13339	3.0
223.14838	5.2
225.16418	5.4
227.12723	9.9
229.14317	3.5
229.19528	2.5
231.17545	1.7
231.21033	2.4
235.14784	3.7
237.16284	2.8
239.14343	1.5
239.17986	4.9
241.19562	14.7
247.14857	1.4
249.16537	2.0
251.17931	3.1
255.15933	5.3
255.20966	2.0
257.18985	7.6
259.20593	39.0
267.15689	2.7
269.17371	10.2
273.18506	3.5
275.20096	20.5
277.21976	2.4
289.21603	1.6
291.19473	2.3
297.22238	2.5
299.19980	1.6
299.23608	1.6
309.21982	1.9
313.21686	3.0
315.23203	5.4
323.23746	1.9
331.22726	3.0
333.24261	43.2
335.25888	6.0
349.23724	18.5
363.26825	1.5
365.28400	4.2
367.24835	3.7
375.26147	1.5
381.31635	1.4
391.29556	1.5
403.29507	2.5
406.25732	1.4
417.31409	1.6
421.30746	4.1
435.32712	7.1
439.32050	2.0
453.33502	3.4
471.33981	1.9
485.32422	1.6
487.33188	1.6
495.34662	4.3
497.37088	1.3
501.35742	2.7
509.36295	4.0
513.35767	29.2
515.38367	6.7
525.36230	2.3
527.37354	39.3
528.37518	1.8
531.36908	2.5
533.39746	5.5
545.38251	4.9
550.47174	1.5
551.40826	3.3
567.40222	3.9
607.34412	2.4
607.43591	36.4
608.43481	2.0
625.34882	2.6
625.44604	42.7
647.71198	1.3
656.50433	1.3
671.41467	2.0
689.42456	2.3
733.45959	1.8
769.47723	2.0
815.24976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.5
65.03947	6.2
67.05508	88.9
69.03419	8.4
69.07072	36.4
71.01361	3.0
71.05000	7.2
73.02925	3.7
77.03905	2.9
79.05498	79.8
79.92776	1.8
81.03423	13.0
81.07060	100.0
83.04984	13.8
83.08620	18.3
85.02915	7.4
85.06535	4.8
87.04490	2.5
88.85550	1.5
91.05483	82.1
93.07047	86.3
95.04976	19.5
95.08608	61.0
97.02899	6.0
97.06552	10.1
97.10166	8.4
99.08125	4.3
103.05492	3.0
105.04539	4.9
105.07034	77.7
107.04942	7.7
107.08598	44.8
108.08966	2.2
109.06516	7.8
109.10170	20.5
111.08096	6.5
114.41076	1.8
115.05469	5.0
117.07026	31.7
118.98250	1.7
119.08585	60.1
121.02880	8.8
121.06503	4.1
121.10146	32.7
123.08053	7.6
123.11720	5.8
125.09680	2.6
127.03905	3.6
128.06259	5.3
129.05530	1.8
129.07010	19.0
130.07834	2.1
131.08569	39.0
133.10133	48.8
135.08064	5.8
135.11699	26.6
137.09657	4.8
141.07027	5.5
142.07799	3.8
143.08557	17.1
145.10130	34.5
147.08011	3.9
147.11696	34.2
149.09630	10.4
149.13272	17.5
151.11180	4.7
154.07828	1.8
155.08557	9.5
157.10147	16.1
159.11713	24.9
161.09642	4.6
161.13268	21.6
163.11211	9.0
163.14838	3.4
165.12828	4.5
167.08578	3.9
169.10115	10.4
170.10936	2.2
171.11711	16.8
173.04433	2.1
173.09610	2.0
173.13274	18.6
175.11128	4.0
175.14853	8.9
177.12723	5.1
179.14365	1.7
181.10146	5.8
183.11696	10.0
184.07375	2.6
185.13249	12.7
187.11122	2.4
187.14867	6.0
189.12787	3.3
193.10182	2.6
195.11722	3.3
195.13826	5.4
197.13287	8.8
199.11226	2.0
199.13205	1.9
199.14885	7.1
201.16443	2.6
202.74365	1.7
203.14313	2.2
207.11761	2.8
209.13307	5.8
211.14839	2.6
213.16446	3.6
215.18028	2.3
217.15924	2.2
221.13206	3.3
223.14793	3.5
225.16321	2.4
227.93854	1.6
231.21190	2.4
241.19514	19.8
245.18918	1.8
255.15778	13.6
257.19119	7.0
259.20605	48.6
261.22238	4.0
263.20230	3.1
267.15964	7.0
269.17456	28.3
273.18530	4.3
275.20041	17.1
277.21683	3.7
281.18817	2.3
287.20163	1.9
291.19571	3.1
295.20645	2.2
301.21652	2.5
315.23090	8.5
317.24936	1.7
333.24274	50.6
335.25842	11.1
339.23322	2.6
349.23853	15.3
351.25793	2.7
365.23218	5.8
367.25049	9.0
381.27582	2.1
403.29620	2.3
403.92279	1.8
409.31021	2.4
417.31454	3.9
421.30841	3.8
435.32538	9.9
453.33487	6.4
459.32584	1.9
471.34473	5.3
483.34860	1.7
489.35556	4.1
509.36060	6.3
513.35815	19.6
515.37518	7.3
517.38910	2.8
525.35651	3.6
527.37299	79.8
528.37988	2.0
531.36743	5.4
533.40021	2.8
545.38245	10.9
551.40540	2.3
607.43555	25.2
625.44543	35.3
635.39600	2.4
643.45856	2.0
689.42542	3.1
841.46997	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	840.568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91278	1.4
63.16003	1.6
67.05521	9.9
69.03450	1.6
69.07070	2.3
70.01218	1.6
71.04982	1.6
73.02908	2.9
73.06539	2.9
79.05484	5.9
81.03416	2.5
81.07057	5.8
83.08590	1.8
87.03969	3.0
87.04472	38.3
89.06033	100.0
91.05486	8.8
93.07045	7.2
95.04977	2.9
95.08604	2.9
97.06514	1.5
97.10162	3.0
103.05453	1.6
105.04432	1.8
105.07044	4.1
107.04964	1.9
107.07090	1.9
107.08602	4.2
109.10162	4.8
113.06023	2.1
117.06985	3.9
117.09126	4.4
118.07793	5.0
119.04956	3.1
119.08604	6.0
121.06517	21.0
121.10154	2.3
123.08094	2.3
124.62914	1.6
125.09692	1.9
130.08672	2.4
131.07043	17.3
131.08472	2.0
133.07578	3.6
133.08604	70.7
133.10114	2.8
135.08081	3.3
135.11668	4.2
145.10164	2.2
147.08064	11.4
149.09637	5.3
150.06754	4.2
163.11168	2.5
165.09108	7.3
175.09718	11.2
175.11024	2.3
177.11249	30.5
177.12773	3.5
184.07318	1.9
187.83763	1.6
191.10667	2.7
193.12105	3.2
209.08113	2.0
209.11765	2.6
211.13223	4.9
219.12274	3.5
221.13728	8.0
229.14389	4.2
233.18979	18.1
235.13293	3.8
241.56039	2.0
255.15898	4.4
259.20523	7.6
259.55038	1.7
277.21603	35.6
279.15952	3.3
283.17719	3.0
299.18408	2.8
303.23096	4.5
309.19083	2.3
316.62277	1.7
321.24332	8.6
335.25739	3.2
353.21680	2.1
527.29065	2.2
571.95288	1.6
668.16028	1.6
677.36450	1.8
685.70172	1.8
823.53979	8.5
840.42078	1.9
840.57495	19.4
841.45184	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	841.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25705	0.1
67.05493	0.3
68.05038	0.3
69.03421	0.4
69.07056	0.2
69.16090	0.6
70.06567	0.1
71.05000	0.2
75.86105	0.1
79.05485	0.4
80.05029	0.2
81.07049	0.2
82.06580	0.7
83.01357	0.6
83.07368	0.6
86.06075	0.3
91.05485	0.3
91.94357	0.1
93.07058	0.3
94.06529	0.3
95.04951	0.2
95.08585	0.2
96.08145	1.4
98.06059	0.3
99.04447	0.1
105.07024	0.3
106.06554	0.3
107.04938	0.1
107.08608	0.2
108.08102	0.2
111.08064	0.2
115.03934	0.4
117.07011	0.1
119.08607	0.2
120.08100	0.1
121.06515	0.6
122.09677	0.2
123.08072	0.3
124.11250	0.6
125.05997	0.1
125.11996	0.1
126.12798	0.3
127.03916	0.1
127.06253	0.1
129.07065	0.1
131.08621	0.2
133.06509	0.2
133.10126	0.1
134.09666	0.2
135.08038	0.2
136.11179	0.5
137.02309	0.1
137.09627	0.3
138.12753	0.7
140.07053	0.4
141.07785	0.1
143.03391	0.3
145.10153	0.1
147.07993	0.2
149.09612	0.3
150.12782	0.4
152.10690	0.5
152.14470	0.1
154.12280	0.4
155.07021	1.3
157.10091	0.1
159.08160	0.1
161.09593	0.2
162.12828	0.2
164.14378	0.4
165.05424	0.2
165.09102	0.2
166.08638	0.1
166.12456	0.1
167.07051	0.2
170.11783	1.1
176.14349	0.3
177.09122	0.1
177.12788	0.1
178.15916	0.2
180.10210	0.1
182.11807	0.1
183.06488	0.2
194.11765	5.0
194.15443	0.2
196.13466	0.1
201.13007	0.1
204.13776	0.2
205.15898	0.3
206.19055	0.4
207.06467	0.1
208.13353	0.9
213.09050	0.1
215.14317	0.2
216.15108	0.2
220.13484	0.1
222.14903	0.4
224.16524	0.1
231.10201	0.2
231.13943	0.1
232.17020	0.3
233.15373	0.2
236.16449	0.1
244.16934	0.1
250.18048	0.9
261.11224	0.2
262.18127	0.2
273.11151	0.4
278.17523	2.8
280.19162	0.4
296.18558	0.2
318.20654	0.4
324.17749	0.1
350.23120	0.2
360.21762	0.2
376.21332	0.2
378.22723	0.8
386.19550	0.3
390.19049	0.5
394.22223	0.4
404.20767	1.1
420.20184	8.1
421.20526	4.7
422.21695	100.0
423.22049	3.8
844.29071	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	841.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69240	0.3
62.37775	0.3
67.05508	0.3
68.05025	0.4
69.03409	1.3
71.04981	0.5
79.05503	0.6
80.05001	0.6
81.03400	1.2
81.07039	1.5
85.02916	1.7
85.03334	0.4
91.05472	0.9
93.07030	0.6
94.06530	0.5
95.04933	0.4
97.02892	1.0
99.04430	1.0
103.05467	0.5
105.01867	0.3
105.07034	1.8
106.06570	1.6
107.04932	0.7
108.08020	0.3
109.02885	0.6
109.06507	1.8
109.10164	0.5
117.06998	0.4
118.06500	0.9
119.07239	0.3
119.08622	0.3
120.08106	4.4
121.06510	0.7
122.09654	0.6
123.04438	0.9
124.11199	1.3
127.03967	1.5
130.06500	0.8
131.07317	0.4
132.08047	0.4
133.05196	0.3
134.06024	0.6
135.08076	1.0
136.07600	0.8
136.11229	1.2
137.05980	7.0
139.07501	0.4
144.08049	0.3
145.06427	0.4
145.12210	0.7
146.05896	0.4
147.06772	2.2
148.07576	5.0
149.08284	0.3
150.06786	0.4
151.03947	0.6
151.07547	2.2
152.08348	0.3
154.12270	0.4
155.03387	2.1
155.07025	0.8
158.09636	0.4
160.07573	0.5
160.11208	0.8
161.08365	0.6
162.09132	3.0
162.12793	11.7
163.13383	0.3
164.07097	0.5
164.14331	1.8
165.05472	0.5
165.07689	0.6
165.09113	8.8
167.06987	0.4
173.12109	0.5
174.12817	2.2
175.10020	0.3
176.14359	2.6
179.07059	0.4
181.04944	0.4
183.06534	2.1
186.09135	0.4
186.12744	1.6
187.13515	0.3
188.14395	0.8
189.09100	0.3
189.14912	0.6
190.12244	2.3
191.13049	0.5
202.12251	0.5
203.09459	1.1
204.13834	87.6
205.14218	2.3
206.15413	0.7
207.06529	0.4
207.10239	0.4
214.15967	0.7
218.11781	0.8
218.15276	1.4
225.07544	1.4
229.23889	0.3
232.16968	2.2
242.15350	0.6
260.16467	18.6
261.16833	0.5
275.12778	27.5
285.11005	0.4
287.12784	0.5
353.13776	0.4
370.20129	1.7
383.15155	0.6
388.21176	100.0
389.21414	2.9
401.15619	0.5
443.85699	0.3
530.68536	0.4
841.35754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35524	0.5
65.26485	0.5
65.43565	0.4
66.59363	0.4
67.05508	0.5
67.97874	0.4
69.03433	7.9
69.58476	0.4
69.78663	1.5
70.06597	3.3
71.04986	2.3
73.01762	0.4
79.05488	0.5
81.07048	1.3
84.08142	0.6
85.32045	0.5
91.05511	0.6
93.07071	1.0
95.08604	0.7
96.08134	0.6
97.06566	0.6
99.04463	2.7
107.08601	1.1
110.09690	1.6
111.08078	8.7
116.00954	0.5
119.08578	1.1
122.09647	0.7
123.08069	0.5
125.09626	0.7
131.08571	0.7
137.05971	1.2
139.07539	10.2
142.12282	0.6
149.09625	1.1
150.09183	0.6
153.09116	0.6
159.11818	0.6
163.14058	0.4
177.12758	0.7
195.13815	4.0
195.85854	0.5
198.14853	1.4
210.14803	0.8
221.11754	1.7
223.13316	7.0
292.19110	0.9
307.17969	0.4
318.20618	7.0
374.23380	0.6
390.22287	0.7
391.23004	0.6
392.24329	9.5
393.24789	0.5
404.24347	1.4
405.24448	2.2
406.25919	32.9
407.26453	1.2
418.22525	0.6
420.23114	0.6
422.25388	3.7
423.25650	4.9
424.26932	100.0
425.27222	3.4
428.38290	0.5
434.98315	0.5
778.27075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.7
69.03433	9.8
69.36165	2.6
70.06600	2.3
70.78517	0.6
71.04994	2.7
76.08015	0.6
81.07052	0.7
84.08150	1.8
85.06542	0.7
85.79334	0.5
93.07040	1.3
95.08566	0.9
96.08115	1.0
97.06528	0.7
99.04467	3.1
105.07048	0.6
110.09688	1.2
111.08082	10.4
137.05954	1.2
138.06326	0.6
139.07538	8.5
149.09680	1.1
150.09238	0.7
150.48210	0.6
152.10744	0.8
165.36870	0.6
195.13757	4.0
198.14845	0.7
221.11702	1.0
223.13254	5.9
292.18942	1.2
294.14731	0.6
318.20499	5.0
361.12814	0.7
378.67358	0.7
392.24310	8.0
404.24164	0.9
405.24606	1.5
406.25870	31.5
407.26083	0.8
418.22263	1.2
419.22900	0.8
422.25281	2.5
423.25809	4.2
424.26947	100.0
425.27261	2.4
541.18744	0.7
546.58612	0.6
764.46838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05024	2.4
61.02930	2.9
65.48654	2.0
67.05504	93.8
67.05872	4.5
69.03422	4.6
69.07063	23.9
71.04992	6.2
71.10029	2.1
73.02896	1.9
77.03918	1.9
79.05491	54.5
79.96940	1.7
81.03416	4.2
81.07054	82.0
83.04980	6.3
83.08627	17.2
85.02883	2.8
85.06551	5.1
86.09698	2.1
90.52946	2.0
91.05480	34.6
93.07040	63.5
93.07605	3.9
95.04959	8.6
95.08604	55.8
97.06533	7.9
97.10164	8.9
99.08082	1.9
99.87428	2.1
105.04523	3.1
105.07036	37.8
107.04954	2.5
107.08587	46.0
109.06512	7.5
109.10155	34.8
111.08086	4.2
115.05460	2.9
117.07008	15.1
119.08571	21.8
121.10146	24.8
123.08064	4.4
123.11699	8.1
125.09643	5.4
129.06987	5.1
131.08571	19.5
133.10129	21.7
133.91177	1.9
135.08017	3.6
135.11710	13.6
137.09645	2.5
143.08543	6.1
145.10141	12.7
147.11685	12.4
149.09631	4.3
149.13234	10.9
155.08627	2.2
159.11681	10.1
161.13231	5.9
163.11217	2.6
171.11682	4.3
173.11746	7.3
173.13297	8.4
175.14778	2.5
177.12654	2.8
184.07368	5.9
185.13341	3.0
187.14825	5.8
189.11191	4.2
189.16386	2.3
191.14235	2.2
195.13768	2.1
227.12750	8.1
229.14304	24.9
237.75885	2.3
243.21181	4.8
245.13971	3.4
257.19061	4.8
261.22125	9.5
267.16016	2.7
269.17499	14.7
275.20047	26.9
290.66229	2.0
293.20999	4.5
309.20657	6.7
313.27130	2.9
317.24689	4.6
335.25815	100.0
349.23828	15.8
367.24741	10.1
430.92648	2.1
489.35855	16.9
515.36890	3.8
529.38824	39.9
569.41882	27.4
609.45190	30.1
610.44550	2.3
627.45941	23.1
675.24738	2.7
739.40045	5.0
752.39630	2.1
843.47937	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	843.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47061	1.8
69.47396	5.5
73.70168	1.4
79.05492	12.4
91.05473	7.0
95.04969	6.0
98.23475	2.6
103.05466	14.0
105.03403	17.7
105.04498	3.1
105.07030	83.6
115.05438	16.9
118.04182	5.1
119.04941	4.4
121.06540	1.7
129.39919	1.2
130.04213	1.4
131.04930	9.0
133.06490	69.4
137.06004	1.6
143.05046	2.5
143.06026	8.6
147.04454	4.8
148.05197	2.1
149.06027	4.5
151.07593	4.9
161.05975	97.9
162.06479	2.3
163.07515	2.2
164.08366	1.4
166.49754	1.6
175.03661	7.7
176.08394	2.4
177.05490	4.0
179.07097	5.2
184.04999	2.6
189.05258	4.9
191.06995	13.8
193.08611	28.7
205.04727	11.4
207.06531	16.1
215.06897	2.9
216.66666	1.3
232.07152	6.2
320.10132	2.4
331.16159	1.3
339.12317	2.4
365.09958	2.9
380.12366	2.4
471.16382	6.1
591.18311	4.4
783.26215	100.0
784.26813	3.8
843.28210	60.9
844.28546	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64628	0.4
61.02929	0.4
66.69547	0.4
67.05495	1.0
69.03425	0.5
70.06595	1.6
70.98367	0.5
72.41735	0.4
79.05488	0.5
81.03432	0.9
81.07070	0.7
85.02929	0.6
91.05484	0.6
93.07068	0.4
95.04958	0.5
97.02924	0.5
98.23335	0.4
105.07039	0.4
107.04960	0.5
109.10197	0.8
114.67526	0.4
119.08615	0.5
180.35165	0.5
193.12248	0.7
224.35695	0.4
229.14435	0.4
267.09158	1.3
269.10654	0.7
285.10202	0.9
481.24893	0.4
485.17087	1.4
583.25592	0.7
625.20990	0.5
703.36292	0.4
739.37976	0.7
825.47552	0.8
843.41309	100.0
844.41406	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	843.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04911	0.9
61.02824	3.5
61.03162	0.7
66.92406	0.3
67.05398	4.8
67.05801	1.0
69.03318	1.8
69.06978	0.5
69.91748	1.1
71.04892	1.2
73.02799	2.8
73.03234	0.5
79.05373	1.6
81.03298	3.4
81.06935	1.7
83.04883	0.5
83.08495	1.1
85.02782	3.9
85.06449	0.6
90.55733	0.4
91.03828	2.2
91.05354	2.1
93.06909	1.5
93.78839	0.4
95.04890	0.6
95.08533	0.6
97.02757	3.9
97.06419	0.5
99.04331	1.1
101.02240	1.4
103.03843	0.4
105.06882	1.8
107.04852	0.4
107.08472	0.7
109.02777	0.6
109.06402	0.4
109.10019	4.8
111.07973	0.8
119.08440	1.1
121.09988	1.4
123.07816	0.5
127.03759	1.3
129.05368	0.3
129.06892	0.6
131.08418	0.9
133.10010	0.6
137.09505	0.5
137.59879	0.4
147.11597	0.9
147.90002	0.4
149.09592	1.6
149.10477	0.4
155.10548	0.7
157.10040	0.7
165.12616	0.3
173.11713	2.0
175.11012	0.9
182.70007	0.3
184.07191	0.4
185.04004	1.1
193.12257	1.7
195.09772	1.0
203.05052	0.4
218.67513	0.4
223.89856	0.3
229.14072	1.1
235.13206	0.4
242.56194	0.3
243.08369	3.1
248.95798	0.3
251.12393	1.0
262.19510	0.4
267.15720	1.3
283.15186	6.8
301.08960	3.0
309.16714	0.5
315.10266	0.9
323.18152	0.7
335.79181	0.3
339.17572	1.1
373.11023	1.4
381.18597	1.2
385.18195	2.6
387.12265	0.5
399.19974	0.4
413.17813	15.1
414.17871	0.5
427.19418	2.7
439.18930	0.5
441.20972	1.0
465.28082	1.1
469.20261	1.3
493.27802	0.6
499.21390	1.4
501.23114	18.8
502.23740	0.6
511.28656	1.4
516.21295	0.4
529.22516	3.7
573.25232	3.1
587.26904	0.8
601.28088	0.7
613.31818	1.5
615.30383	0.7
629.31329	0.9
643.33008	1.1
673.34033	100.0
674.34308	4.1
699.35730	0.9
701.37286	4.2
729.36566	3.5
745.36157	0.6
843.43457	24.3
844.43213	1.2
852.43829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.9
61.02941	3.8
64.56885	0.8
67.05504	5.3
69.03419	3.9
69.07088	1.3
69.72632	2.3
70.06625	1.0
71.04995	3.7
73.02931	3.0
78.71921	1.0
79.05492	4.6
80.05813	0.8
81.03411	7.2
81.07057	5.0
83.05013	1.9
83.08657	1.2
84.08167	0.8
85.02907	5.5
86.09718	1.7
87.04510	0.9
91.03985	2.4
91.05474	4.9
93.07030	4.3
94.12702	0.8
95.04984	2.5
95.08641	2.9
97.02904	4.9
97.06552	1.7
97.10192	1.4
99.04493	0.9
101.02406	1.0
105.07079	3.0
107.05041	0.9
107.08615	2.7
109.02861	0.8
109.06554	1.2
109.10179	3.1
109.92667	0.8
117.07079	1.7
119.08626	3.0
121.10177	2.5
123.08027	1.0
127.03948	1.2
131.08611	2.0
133.10179	1.8
135.11790	0.8
145.10143	1.5
147.11761	1.8
149.09662	1.8
157.10164	1.1
163.11295	2.8
175.11270	1.3
180.39134	0.7
193.12303	3.2
211.13242	1.0
227.12822	0.8
230.14725	0.8
243.08569	2.8
267.12247	2.2
267.16016	2.3
268.16525	1.7
283.15143	4.7
339.17960	0.9
365.19418	1.1
413.18063	2.0
439.19672	1.6
441.17157	5.7
467.18964	1.2
485.19919	7.8
501.23013	19.5
541.35358	0.8
542.35657	2.0
583.27710	1.3
673.34375	10.7
699.35602	1.5
701.33466	3.9
745.35797	5.4
843.43451	100.0
844.43311	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	843.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.6
67.05504	4.1
69.03437	2.4
69.07073	1.1
69.23107	2.4
69.23504	0.9
73.02928	2.3
79.05119	0.7
79.05477	3.9
81.07061	3.1
83.08611	0.7
85.02888	3.0
85.06577	1.1
91.03976	1.9
91.05479	3.7
93.07039	5.1
95.04975	3.1
95.08598	3.2
97.02895	3.5
97.06524	0.7
101.02376	1.0
105.07025	3.2
107.08614	2.6
109.06525	2.0
113.06036	2.7
114.90145	0.6
117.06998	0.9
119.08606	2.2
121.10184	1.4
121.64561	0.6
127.03944	0.8
131.08611	1.2
133.10161	2.1
135.08083	1.4
135.11662	0.7
145.10089	0.9
147.11710	1.1
156.90991	0.7
159.11714	0.9
161.09648	0.7
171.11768	0.8
184.07417	0.7
241.07198	0.8
243.08398	4.3
259.08063	0.8
280.22849	0.6
301.09055	1.0
331.18765	4.5
362.82132	0.7
387.21530	1.0
448.53088	0.6
463.14752	0.7
465.20770	1.3
535.28839	7.0
549.27026	7.1
601.26294	5.5
621.29077	1.2
715.35010	0.7
771.36377	1.0
843.48645	100.0
844.48975	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.2
64.92754	0.5
65.03957	0.9
67.05509	11.2
68.05849	0.9
69.03439	3.9
69.07069	5.0
69.42107	0.5
71.05025	0.9
73.02933	2.6
79.05493	11.0
81.03448	2.0
81.07059	11.1
81.07494	0.8
82.07407	1.5
83.05034	0.7
83.08645	2.4
85.02905	3.9
85.42725	0.7
86.09717	0.6
91.03985	2.0
91.05486	7.6
91.05984	0.8
93.07054	10.0
94.07410	1.6
95.04993	2.5
95.08614	7.3
97.02888	4.1
97.06551	1.3
97.10198	2.4
98.22678	1.1
99.04503	0.9
101.02418	1.7
102.31646	0.6
104.57976	0.5
105.07033	6.6
106.07352	0.6
107.04992	0.6
107.08601	6.4
108.08959	0.7
109.02900	0.6
109.06551	1.0
109.10188	4.3
117.07043	2.7
119.08549	5.1
121.10130	3.7
122.10497	0.7
123.08042	0.6
123.11724	1.1
125.09695	1.6
127.03928	0.9
131.08641	2.5
133.10123	3.7
135.11739	2.4
137.23529	0.6
145.10107	1.4
147.11736	2.3
149.09749	1.1
149.13298	1.2
157.10144	0.7
159.11765	1.6
161.13332	1.6
171.11797	0.9
173.11841	0.6
173.13344	1.1
184.07323	2.9
185.04337	0.8
189.11256	0.9
189.16447	0.7
196.10580	0.6
220.44981	0.6
223.13367	1.1
227.12903	1.8
228.13129	0.8
229.14394	1.4
243.08386	4.3
245.14046	1.9
261.22205	0.6
269.17389	1.1
275.20236	1.2
291.19730	1.2
301.08987	1.3
310.41156	0.5
313.27570	1.1
314.28009	0.6
315.10605	0.8
331.18918	1.8
335.25854	5.0
336.26175	3.8
349.23807	0.8
350.24179	1.0
465.21179	1.4
490.37097	0.9
530.39435	3.5
535.28699	8.1
549.26593	4.6
570.42102	0.7
609.45050	0.7
610.45709	2.5
621.28723	1.4
628.46832	1.8
803.83411	0.7
839.20782	0.7
843.48621	100.0
844.49017	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	843.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07734	0.4
61.02928	3.0
62.71927	0.4
64.33973	0.5
67.05511	3.8
69.03442	2.2
69.07083	0.8
71.05013	0.6
73.02906	2.7
79.05495	3.7
81.03446	1.1
81.07064	4.5
83.04983	0.8
83.08643	0.9
85.02917	3.1
91.03961	2.3
91.05492	3.9
93.07046	3.4
95.04986	1.1
95.08611	2.6
97.02915	2.8
97.06546	0.5
97.10177	0.5
98.22723	1.1
99.04443	0.5
101.02412	1.0
105.07036	2.2
107.04993	0.5
107.08588	2.1
109.02923	0.5
109.06553	1.0
109.10186	1.2
111.08178	0.5
117.07062	0.8
119.08575	1.9
121.10190	0.6
127.03925	1.3
129.05553	0.7
129.07034	0.5
131.08627	1.3
133.10158	1.6
135.08066	0.4
135.11794	0.5
145.10208	0.6
147.11760	0.6
149.13312	0.6
151.70433	0.5
157.10085	0.4
161.13283	0.7
171.11734	0.4
185.04327	0.8
193.12498	0.4
243.08421	2.3
253.66766	0.4
301.09082	1.3
308.04944	0.4
313.08951	0.8
313.18015	0.7
315.10645	0.7
331.18762	2.6
336.26157	0.5
347.18655	0.5
355.13779	0.6
397.18127	0.4
451.19354	0.9
465.20749	0.5
531.25848	1.5
535.28796	5.1
549.26678	2.0
607.31226	0.4
745.41351	1.0
774.41901	0.5
825.47784	6.1
826.48279	0.7
843.48596	100.0
844.48792	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	844.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.3
65.03939	1.1
67.05505	2.0
69.03431	43.2
69.52093	3.3
70.92592	0.6
71.01345	1.2
71.04987	3.5
73.02917	9.5
79.05492	3.8
81.03418	34.5
81.07053	9.9
83.05014	1.0
85.02904	100.0
86.03258	0.7
86.48633	0.7
87.04469	26.1
91.03966	6.1
91.05484	4.7
95.04974	4.8
97.02892	45.8
99.04452	10.0
101.02379	1.3
103.03934	6.8
103.05453	1.6
105.07037	7.6
107.04932	4.5
107.66551	0.7
109.02879	26.1
109.05849	1.0
109.06526	10.7
111.04452	2.1
115.03931	65.6
117.07011	1.4
119.04942	1.2
119.08549	1.6
121.06512	3.6
123.04425	18.8
124.64243	0.7
127.03913	64.6
131.04898	1.3
133.04955	12.6
133.06540	2.5
135.04417	5.5
135.08006	4.3
137.05980	50.7
139.03983	1.0
139.07573	2.6
145.04958	42.4
147.04422	5.7
147.08061	1.5
149.05981	2.7
149.09625	1.2
150.06781	2.1
151.03943	1.0
151.07544	15.6
152.08337	4.0
153.09085	3.5
157.05000	2.3
159.08090	1.1
161.05991	7.5
163.03926	1.5
163.06030	6.3
163.07523	2.4
165.09117	45.1
174.06779	1.1
175.06097	1.4
175.07500	7.0
177.09167	3.6
179.07059	0.8
179.10703	3.1
181.04919	1.1
187.06032	2.0
188.08292	1.0
189.05486	3.1
189.09100	8.0
190.09955	0.8
191.10555	0.8
193.08701	1.5
201.09225	1.0
203.07243	0.8
203.10710	2.1
205.07014	1.5
205.08781	1.2
207.06554	0.8
207.10190	3.1
211.07489	0.8
212.08322	0.9
213.05521	0.8
215.07082	1.1
215.10727	1.2
217.07039	2.4
225.09120	0.9
227.07004	0.8
227.10587	1.9
231.10239	1.5
235.05850	1.1
241.06920	5.7
241.12231	0.9
243.10115	1.3
255.10188	3.1
257.11649	1.2
259.08008	13.8
267.10135	1.2
269.11792	1.8
271.08044	0.8
273.11298	2.5
275.12775	73.2
277.09180	21.2
277.12234	1.4
283.09714	3.5
284.10449	1.1
285.11255	14.2
287.12781	35.3
290.09491	0.9
293.08212	3.0
294.08960	1.9
295.09814	0.8
296.10477	2.2
297.11237	2.7
299.12762	21.4
299.16071	1.4
301.10538	4.1
305.11652	0.9
307.09616	1.3
309.11246	7.0
311.12805	2.6
313.14456	1.9
317.13846	48.8
321.11139	1.2
322.12067	1.1
323.12869	4.0
325.10880	1.3
333.11279	1.4
337.14346	1.8
341.13828	22.7
347.12909	1.0
351.12320	1.3
353.13931	2.3
355.15219	2.8
365.13840	40.9
366.14124	1.4
367.10291	2.0
383.14880	82.4
384.15259	3.1
385.11044	1.3
388.21268	1.9
389.13742	0.9
400.88925	0.8
401.15994	4.4
403.12485	0.9
407.14929	5.4
421.13220	1.2
425.15814	4.1
449.15823	1.6
473.15912	1.3
479.17105	2.2
491.16656	1.1
497.18045	6.6
515.19012	7.0
517.15521	1.3
533.20258	1.4
535.16693	1.1
557.20331	1.1
581.20624	1.1
623.20911	1.1
641.22644	4.9
659.23163	3.1
823.89594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.7
69.03434	13.4
69.07043	0.7
69.69478	2.3
71.04987	1.3
73.02911	2.7
78.04697	1.4
79.05489	5.3
79.05867	0.8
79.32225	0.6
81.03421	9.9
81.07052	1.0
85.02906	25.2
87.04485	4.5
91.03946	1.8
91.05489	3.1
95.04955	2.7
97.02900	12.7
99.04463	2.3
103.03944	0.8
103.05476	1.8
105.07032	5.7
106.04142	0.9
107.04263	0.9
107.04955	10.9
108.04475	1.8
109.02871	5.8
109.84750	0.6
115.03933	11.9
115.05445	2.7
116.91284	0.7
117.06998	1.9
118.04110	0.9
119.04932	1.4
119.08586	1.7
121.06508	1.6
123.04455	3.7
124.05213	1.6
125.06020	0.8
127.03924	14.4
128.06219	2.2
129.07014	8.8
131.04904	4.0
131.08553	1.5
132.05707	2.4
133.04982	3.2
133.06485	6.2
134.03650	0.8
137.05977	7.5
140.10716	0.9
141.06953	0.7
142.12263	2.4
143.04933	1.3
144.05672	1.3
145.04970	12.3
145.06407	3.3
147.04463	1.5
147.08037	1.9
151.03923	1.3
151.07529	0.8
152.04654	2.0
153.05469	2.2
155.04883	1.6
155.06006	0.8
156.05757	1.1
157.06456	1.5
159.08025	6.9
160.05193	2.2
161.05978	12.1
161.09572	1.1
163.03947	1.0
163.05975	1.4
164.04102	0.8
167.07042	100.0
168.07401	1.2
169.06464	0.8
171.08022	1.2
171.97688	0.7
172.05193	2.9
173.05960	4.7
175.03922	1.0
175.07545	30.3
177.05498	1.9
178.07835	2.0
179.06999	1.5
181.08638	1.0
184.05174	0.9
187.07544	27.5
188.07939	1.0
189.06943	0.7
189.09102	2.3
190.06245	1.8
190.07784	1.5
191.07008	8.1
191.08513	1.1
193.08600	4.4
193.10126	1.4
197.61530	0.7
199.07564	8.7
201.09119	1.1
202.07846	1.2
203.08611	3.2
205.06813	1.4
205.08559	6.9
206.07242	2.5
207.06483	1.8
209.08109	3.7
215.08534	1.2
217.06677	1.3
217.08586	6.2
218.07254	1.7
219.08022	2.2
220.08807	1.1
221.09644	6.7
231.08041	2.4
233.09557	2.5
234.06746	3.4
235.07463	2.0
235.09691	5.1
246.06650	1.0
247.07713	1.4
248.08328	1.9
249.09129	8.3
250.09839	1.8
250.18109	1.4
251.07018	2.1
251.10616	0.6
259.08041	6.4
260.08301	1.4
261.09091	2.9
262.06277	0.8
263.07022	1.5
265.08435	0.7
265.10748	4.8
266.09393	1.9
274.06250	0.9
276.10858	1.1
277.08759	7.4
278.09354	2.9
278.17517	12.0
278.21085	4.5
279.17880	8.0
279.21432	1.4
280.22708	1.6
281.11716	16.5
289.08432	4.1
291.10123	0.8
293.11728	2.1
294.08755	3.0
295.09720	1.1
306.08807	1.0
307.09531	1.2
309.11185	13.4
310.12173	1.3
311.09006	1.3
321.11282	7.0
322.12152	1.1
325.14044	0.9
326.11523	2.3
327.12399	0.7
339.11798	0.7
341.13837	70.7
342.14157	1.8
353.13837	38.4
354.14075	1.5
355.15402	4.6
365.13818	1.0
371.14893	21.6
372.15204	0.8
383.14783	0.9
387.91034	0.7
395.14597	1.3
406.22287	1.0
417.13242	0.8
418.22015	3.5
419.22745	1.1
425.23898	0.8
426.18921	9.2
427.19354	6.8
428.20743	1.2
431.14600	1.0
434.69067	0.7
438.20993	1.5
439.21255	0.8
440.20352	0.8
441.20935	1.5
442.16211	0.9
445.20325	1.1
449.15570	0.9
480.06223	0.7
482.18106	0.7
483.66785	0.8
581.19635	0.8
647.23090	1.1
782.98877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83764	0.1
67.05499	0.5
69.03433	1.7
69.07057	0.3
70.06593	0.2
73.61776	0.1
79.05489	0.9
80.05026	0.3
81.03426	0.3
81.07048	0.8
82.06583	0.1
83.01340	0.4
83.07358	0.5
84.08131	0.1
85.02883	0.3
86.06060	0.2
86.09702	0.1
88.84841	0.1
91.05477	0.9
93.07047	0.8
94.06615	0.2
95.04966	0.7
96.08124	2.0
98.09669	0.4
99.04442	0.4
100.11320	0.2
103.05489	0.2
105.07047	0.7
106.06541	0.4
107.04979	0.3
107.08588	1.1
108.08131	0.4
109.06495	0.3
109.10149	0.2
110.53981	0.1
111.08068	0.2
115.03947	0.2
117.07011	0.4
119.04983	0.3
119.07287	0.1
119.08594	0.4
120.08150	0.7
121.06525	0.4
121.10154	0.3
122.09648	0.2
123.08057	0.2
124.11267	0.2
127.03917	0.7
128.10719	0.2
129.06969	0.3
131.08549	0.4
133.06482	0.2
133.10126	2.4
134.09669	0.2
135.04424	0.2
135.08046	0.4
136.11220	1.0
137.05980	0.4
137.09647	1.1
138.12781	5.7
141.05460	0.3
142.07791	0.2
143.08490	0.1
145.04984	0.1
145.06442	0.3
147.06802	0.1
147.08051	0.2
147.11656	0.2
148.07562	0.6
148.08716	0.2
149.13289	0.1
151.07620	0.2
152.05682	1.8
152.10672	0.3
153.05458	0.4
154.12283	0.2
155.03406	1.1
155.07028	0.4
157.06435	0.1
157.10210	0.2
159.08046	0.5
159.11729	0.2
160.11363	0.2
162.09213	0.3
162.12778	1.3
163.03915	0.3
164.10687	0.4
165.05490	0.4
165.06856	0.1
167.07082	0.5
169.10144	0.2
173.05951	0.1
173.09631	0.3
173.13283	0.2
174.12794	0.3
175.07567	0.5
176.10771	0.2
176.14366	1.3
177.05507	0.1
179.07027	0.2
181.05069	0.2
183.06541	0.5
186.12828	0.3
187.07518	0.3
187.11267	0.2
188.14398	0.2
190.12299	0.4
191.07034	0.2
191.14313	1.9
193.08621	0.2
195.06549	0.3
197.09669	0.3
199.07722	0.1
201.09209	0.2
204.03966	0.1
204.13831	7.5
205.08675	0.4
205.14459	0.6
206.15433	0.7
207.06538	0.5
207.10173	0.4
209.15413	0.5
213.09108	0.2
215.10712	0.3
217.08676	0.2
218.15298	0.2
221.08112	0.3
231.10248	0.2
232.16951	0.4
233.08032	0.3
234.18582	0.4
235.09721	0.2
241.08543	0.3
247.09674	0.5
257.28027	0.1
260.16510	1.3
262.18146	0.3
263.09180	0.3
273.11221	1.6
275.12747	4.0
330.17209	0.2
341.17404	0.3
360.21780	0.8
373.19116	0.2
388.21170	100.0
389.21475	3.1
406.59216	0.1
646.34235	0.4
808.39282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	5.4
67.05511	7.2
69.03443	2.7
69.07095	0.7
71.04999	2.0
72.11664	0.5
73.02911	3.7
74.38425	0.7
79.05506	2.1
81.03417	4.7
81.07079	2.5
83.04977	0.6
83.08662	1.1
85.02909	5.7
86.09728	1.2
87.04530	0.6
91.03975	3.5
91.05470	2.6
93.07066	1.5
95.04990	1.9
95.08619	1.5
97.02897	4.9
98.22620	1.1
99.04479	1.4
101.02401	2.1
103.03962	0.8
105.07047	1.5
109.02838	1.1
109.06575	0.8
109.10155	6.6
111.08081	0.8
111.42548	0.6
112.07625	1.1
113.06036	0.9
119.08596	2.3
121.10184	1.9
125.00069	1.2
127.03914	1.5
129.07011	0.7
131.08598	1.4
132.08147	1.4
133.10112	0.8
146.06065	1.2
147.11714	1.4
149.09663	2.3
151.20032	0.5
157.10165	1.1
158.09641	0.6
173.11755	2.1
175.11232	0.8
176.10704	3.0
177.11337	2.2
178.11932	0.6
184.07378	6.2
185.04298	1.0
185.07834	0.6
190.08641	4.6
191.09044	0.8
193.12321	1.3
195.10075	1.0
206.95233	0.7
220.13350	0.6
229.14510	1.3
234.92856	0.6
237.80232	0.5
243.08347	3.1
255.85339	0.5
267.16086	1.0
283.15179	6.3
286.18130	0.7
299.73590	0.6
301.09177	0.8
330.20694	0.6
339.17664	1.2
348.21643	6.2
349.22058	3.8
385.18100	0.7
391.05969	0.6
413.17831	17.3
441.21417	1.1
469.20453	0.7
485.40305	0.5
501.23129	17.9
511.29208	1.2
529.22845	0.7
566.29010	0.9
567.29797	1.2
573.24823	1.3
585.29449	1.2
673.34058	100.0
674.34595	3.6
683.47424	1.0
701.37219	1.4
729.36719	3.5
844.51593	1.3
845.45679	27.6
846.45337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.9
67.05503	3.4
68.90496	0.6
69.03443	0.9
69.07091	0.9
72.17023	0.6
79.05511	1.8
81.07072	2.7
85.02906	0.6
88.06802	0.6
91.03925	0.6
91.05498	0.9
93.07074	2.2
94.72338	0.6
95.08653	1.5
97.02887	0.9
98.20477	0.6
98.22696	2.4
100.82931	0.6
105.07058	1.1
107.08569	1.3
109.10177	1.3
119.08609	0.8
121.10172	1.0
135.11728	0.7
137.66397	0.6
145.17197	0.7
168.97289	0.6
184.07411	1.3
261.18689	0.6
298.70956	0.8
310.49936	0.6
465.66812	0.9
530.39087	0.8
551.26593	0.8
730.35950	0.7
845.48438	100.0
846.49048	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	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.6
66.42038	0.3
66.58041	0.3
67.05505	3.9
69.03432	2.3
69.03986	0.4
69.07075	1.8
71.01361	0.4
71.04987	0.5
73.02930	3.5
79.05496	4.2
81.03427	1.4
81.07051	3.7
83.04999	0.6
85.02900	3.9
87.04502	0.3
91.03970	1.7
91.05480	3.7
93.07045	4.3
95.04994	0.8
95.08602	2.4
97.02904	3.6
97.06539	0.7
97.10196	0.3
99.04456	0.5
101.02382	1.7
105.04529	0.5
105.07034	3.0
107.08578	2.3
109.02900	0.6
109.06519	0.3
109.10162	1.0
117.07025	0.9
119.08575	2.0
121.10162	1.0
127.03940	1.0
129.07083	0.4
131.08586	0.9
133.10120	1.7
135.08066	0.3
135.11731	1.2
138.80330	0.3
145.10179	0.7
147.11725	1.1
149.13249	0.4
159.11678	0.6
161.13342	0.6
173.13356	0.3
184.48987	0.3
185.04221	0.8
201.01967	0.3
203.05367	0.6
215.81039	0.3
243.08421	3.6
253.71545	0.3
256.33447	0.3
259.20660	0.5
301.09052	1.2
315.10571	0.6
333.20465	2.2
341.11676	0.3
373.11490	0.4
373.23520	0.4
389.23053	0.5
429.17606	0.3
439.19638	1.0
453.21231	1.0
465.21320	0.6
469.20728	0.4
535.28906	4.8
541.22516	0.4
551.28333	7.4
601.25958	0.4
623.30493	0.7
637.32544	0.4
651.33380	0.4
665.34698	0.5
808.38898	0.3
845.50183	100.0
846.50616	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	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.6
65.03931	0.3
67.05505	4.2
69.03432	2.2
69.07066	1.6
69.12102	1.7
71.01355	0.4
71.04999	0.7
73.02927	2.7
74.21621	0.3
79.05494	4.0
81.03430	1.4
81.07059	3.7
83.08636	0.6
85.02907	3.3
85.57945	0.2
87.04480	0.4
91.03953	2.1
91.05479	4.1
93.07047	3.9
95.04983	0.9
95.08607	2.1
97.02903	3.3
97.06557	0.5
97.10191	0.4
97.64339	0.2
99.04475	0.7
101.02381	1.4
103.03963	0.3
103.05421	0.2
105.04514	0.5
105.07045	2.5
105.68934	0.3
107.08605	2.1
109.02913	0.5
109.06513	0.3
109.10175	1.0
115.03923	0.3
117.07066	0.8
119.08565	2.0
121.10209	1.2
127.03975	0.7
129.05502	0.4
129.07036	0.5
131.08594	1.0
133.10115	1.7
135.11674	1.1
145.10165	0.5
147.11740	0.9
149.09729	0.3
149.13330	0.5
159.11729	0.5
161.13348	0.6
173.13326	0.3
177.12863	0.3
183.56932	0.2
184.07437	0.6
185.04298	1.0
203.05290	0.3
243.08398	2.8
259.20721	0.4
301.09027	1.0
313.09116	0.5
315.10510	0.7
317.21063	0.4
333.20459	1.7
347.81812	0.3
373.11230	0.7
373.23734	0.3
383.16806	0.3
389.23074	0.3
397.18393	0.5
433.34619	0.2
439.19736	1.1
453.20959	1.3
465.21310	0.9
469.20642	0.4
469.40274	0.3
481.20795	0.6
535.28802	6.6
541.22534	0.5
551.28357	5.3
623.30627	0.9
651.33258	0.3
707.39679	0.3
735.78986	0.3
766.96960	0.3
845.50177	100.0
846.50543	5.0
853.65643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	4.3
65.03949	0.6
67.05505	5.3
69.03423	2.4
69.07078	1.5
69.27631	2.6
70.09293	0.5
71.04990	1.0
73.02919	4.4
76.77773	0.5
79.05498	3.6
81.03434	1.4
81.07063	4.3
81.43027	0.5
83.04999	1.4
83.08642	1.1
85.02906	5.1
91.03947	3.2
91.05500	2.3
93.07050	3.8
95.04977	0.8
95.08630	3.3
97.02913	4.2
97.06534	2.6
98.23434	0.8
101.02403	1.3
103.03936	0.5
105.07056	1.3
107.08601	2.7
109.02914	0.8
109.06526	0.7
109.10176	1.1
119.08618	0.8
121.10166	2.0
127.03926	1.1
131.08614	1.2
135.11737	0.7
142.26909	0.5
145.10121	0.8
149.13327	0.6
173.13246	0.7
184.07416	1.3
185.04253	0.8
192.64938	0.5
243.08391	2.9
335.25989	0.8
344.32443	0.5
349.19885	7.4
405.22690	0.9
427.19153	0.5
439.19620	1.0
453.21396	0.7
519.29346	4.7
524.22595	0.6
567.27686	4.6
658.68079	0.7
845.50195	100.0
846.50702	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.6
62.95468	0.5
65.03947	0.6
67.05507	5.8
69.03424	3.7
69.07071	1.7
70.94418	0.4
71.05016	0.7
73.02916	4.1
79.05490	4.4
81.03436	1.8
81.07068	4.6
81.07507	0.6
83.04955	0.6
85.02911	5.2
86.09776	0.5
87.04469	0.5
90.73594	0.5
91.03943	2.7
91.05480	2.3
93.07041	5.0
95.04985	1.3
95.08598	3.7
97.02892	4.9
97.06522	1.0
101.02396	1.6
105.07044	1.5
107.08621	2.0
109.02928	0.8
109.06567	0.7
109.10182	1.9
113.56989	0.4
115.03945	0.6
117.07050	0.8
119.08603	1.0
121.10124	2.1
127.03942	1.5
131.08604	0.7
133.10161	0.6
135.11714	0.8
161.13373	0.5
161.91898	0.5
184.07419	1.5
185.04277	0.4
203.05241	0.5
229.02005	0.6
243.08429	1.9
261.14725	0.6
293.53485	0.5
335.25885	1.3
337.27325	0.5
349.19794	6.3
394.29288	0.5
405.22638	0.6
453.20963	0.7
479.22696	1.8
519.29291	5.2
567.27997	3.0
757.44653	1.5
845.50098	100.0
846.50409	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	846.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19647	0.3
61.02927	3.1
69.03428	38.3
71.01353	1.1
71.04999	2.3
71.52441	0.4
73.02914	5.5
75.24651	0.4
81.03414	5.7
82.22255	0.4
83.01352	0.5
83.04983	0.4
85.02903	100.0
86.03211	0.7
87.04469	1.1
91.03975	0.9
95.04983	0.7
97.02890	32.6
99.04450	10.3
99.05077	0.8
101.02380	6.6
103.03916	0.7
107.04984	0.5
109.02879	7.5
111.04398	0.6
115.03935	3.8
117.79759	0.4
123.04408	0.6
127.03912	83.3
128.04237	0.6
133.04985	0.6
135.04404	0.9
136.85361	0.4
139.03897	0.9
145.04953	81.2
146.05289	0.7
147.04410	0.5
151.03897	1.1
163.06012	28.0
165.05464	0.7
166.45100	0.4
181.04967	1.4
193.04988	1.4
194.11823	0.4
199.06018	0.7
200.24399	0.5
207.06491	0.7
211.06064	1.0
217.07079	1.2
222.63286	0.4
223.06006	3.8
229.06996	2.1
230.40604	0.4
235.05870	0.5
241.07109	1.4
247.08070	2.4
248.46671	0.4
253.07024	4.1
254.56607	0.4
259.08160	4.4
271.08148	7.7
289.09177	17.8
307.10266	1.8
325.11273	38.2
326.11536	0.6
343.12119	0.4
720.94537	0.4
766.67297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73075	0.1
67.05502	0.4
68.04993	0.2
69.03067	0.2
69.03429	2.4
69.07064	0.4
71.04977	0.5
71.46920	0.2
79.05497	0.8
80.04987	0.3
80.75291	0.1
81.03423	0.3
81.07050	0.8
82.06583	0.2
83.01354	0.3
83.04975	0.2
83.07348	0.5
85.02896	0.4
86.06066	0.2
91.05476	1.2
93.07048	0.9
95.04957	0.5
95.08599	0.3
96.08123	1.8
96.56296	0.1
97.02869	0.3
98.06084	0.2
98.09671	0.4
99.04455	0.3
100.11253	0.3
105.04543	0.2
105.07027	0.9
106.06531	0.3
107.04935	0.1
107.07943	0.2
107.08556	0.7
108.08111	0.2
109.02877	0.2
109.06518	0.4
109.10153	0.4
111.08115	0.2
115.03909	0.1
117.07042	0.3
119.04958	0.3
119.08593	0.8
120.08091	0.4
121.06511	0.6
121.10134	0.4
123.08025	0.3
126.09064	0.1
127.03928	0.7
128.06226	0.2
128.10756	0.2
129.07001	0.3
131.04944	0.2
131.08542	0.5
133.06477	0.4
133.10123	0.5
134.09637	0.3
135.08055	0.3
135.11708	0.4
136.11183	0.7
137.05963	0.5
138.12776	5.3
138.13846	0.3
139.07591	0.2
141.05498	0.3
143.08595	0.2
145.06459	0.3
145.10095	0.4
147.04413	1.0
147.08070	0.3
148.11165	0.2
149.09595	0.2
151.03914	0.2
151.07588	0.2
152.05666	0.2
152.10699	0.2
155.03398	0.6
155.07018	0.4
155.08475	0.2
158.07230	0.2
159.08041	0.3
159.11679	0.2
162.09137	0.4
162.12782	0.4
163.11163	0.2
164.10724	0.6
164.14363	0.2
165.05531	0.9
165.09106	0.2
167.07028	0.4
169.10123	0.4
171.08018	0.2
173.06007	0.3
173.09656	0.4
175.07553	0.5
175.11205	0.1
175.14784	0.3
176.14357	1.4
177.09161	0.2
179.07056	0.3
181.04990	0.2
183.06572	0.4
185.09627	0.2
187.07539	0.3
187.11205	0.4
188.14394	0.1
189.09093	0.2
190.12251	0.3
191.06958	0.2
193.15907	0.2
195.06522	0.3
199.11240	0.2
201.09184	0.3
202.09952	0.1
204.13812	1.8
204.17528	0.1
205.08611	0.3
205.12332	0.2
205.14644	0.8
206.15434	0.4
207.06581	0.4
207.10115	0.2
211.16936	1.0
215.10674	0.5
219.13901	0.1
221.08095	0.3
225.09145	0.2
231.10332	0.2
232.17006	0.6
233.08119	0.5
233.11702	0.4
234.08565	0.2
234.18497	0.4
247.09682	0.5
247.13301	0.2
253.08664	0.1
260.16461	0.3
261.11252	0.3
263.09097	0.5
273.11182	1.8
275.12756	4.2
276.13132	0.2
283.13370	0.2
285.11224	0.5
341.17511	0.4
360.21844	0.8
370.20480	0.2
388.21161	100.0
389.21494	4.2
390.21622	0.2
459.27133	0.1
515.25244	0.1
519.82971	0.1
662.44012	0.2
786.23468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.7
65.03953	0.5
67.05499	0.5
68.01523	0.4
69.03429	4.5
71.04945	0.4
73.02912	1.1
77.03896	0.3
79.05495	0.9
81.03419	7.8
81.07069	0.8
85.02908	11.2
87.04458	2.8
91.03939	0.6
91.05490	2.7
93.07055	0.5
93.10104	0.3
94.04188	1.6
95.04960	1.0
97.02895	4.1
99.04445	1.1
103.03285	0.6
103.03946	6.9
103.05444	1.7
105.03360	0.5
105.07066	1.8
107.04981	0.9
109.02894	2.8
109.06516	0.7
111.04433	0.5
115.03940	9.0
115.05460	1.6
117.07019	1.1
119.04934	2.9
119.08558	0.5
121.06500	0.7
122.03674	3.6
123.04453	0.6
125.06037	0.4
127.03924	5.6
128.06247	0.9
129.07005	2.8
131.04935	3.3
131.08556	0.5
133.02847	1.8
133.04979	2.4
133.06520	2.0
135.04457	0.7
137.05981	100.0
138.06317	1.1
141.07002	0.6
143.04967	2.8
144.05650	0.6
145.04968	5.6
145.06421	1.9
146.03638	0.4
147.04401	3.3
147.08061	0.4
149.05991	1.3
151.03922	4.7
151.05002	0.8
151.07526	2.0
153.05444	0.4
157.05179	0.5
157.06502	3.4
159.04414	0.7
159.08063	0.5
160.05212	3.3
161.05994	6.1
162.06726	0.9
163.06102	0.6
163.07564	2.4
165.01857	0.4
165.05490	0.8
165.06999	0.5
167.07082	0.4
167.08385	0.4
169.06522	0.5
171.08113	0.5
172.05139	0.6
173.06012	1.0
174.06781	1.2
175.06146	1.2
175.07544	27.8
176.04669	0.3
176.08002	0.4
177.05431	1.7
177.09187	0.9
179.07042	2.6
181.04974	0.6
181.06525	0.4
184.05272	0.6
185.06013	1.4
186.06760	0.4
187.07555	8.3
188.08189	0.7
189.09099	3.9
191.07047	5.2
195.08130	0.3
195.84039	0.3
197.06038	0.8
199.07550	4.8
201.09065	0.9
203.07011	4.4
203.08655	0.5
205.08606	13.5
211.07512	1.6
213.09018	0.6
215.07002	2.1
217.06697	2.3
217.08807	4.5
225.09171	0.7
229.08598	5.1
233.08055	4.6
235.07358	0.6
235.09659	9.6
239.06891	0.4
241.08698	0.5
247.09729	0.6
257.08066	4.2
259.08054	1.5
261.09128	1.0
263.10611	0.4
265.08740	0.9
267.10217	1.2
267.15802	0.4
269.08014	0.6
275.09103	2.5
277.08936	1.2
283.09641	0.8
285.11337	1.0
291.10217	1.1
293.10068	2.2
295.09555	0.6
297.11389	1.0
299.12799	0.7
301.08682	0.4
303.10361	0.7
306.09067	0.4
306.12930	0.4
307.09750	0.4
309.11304	1.0
311.12595	0.4
320.10355	0.5
321.11282	1.4
323.12823	2.1
325.14603	0.5
327.12283	0.6
333.11121	0.4
335.12784	2.6
336.14825	0.4
339.12289	0.6
341.13800	0.9
347.12820	1.4
353.13885	1.6
357.13278	1.2
365.13828	4.2
377.14142	0.5
377.29871	0.4
383.15039	1.6
388.21188	6.9
389.12399	1.0
389.21530	1.5
390.21957	0.4
395.14825	1.4
401.14267	0.4
407.13370	2.1
413.15897	1.0
418.13947	0.6
427.22797	0.4
439.15176	0.4
441.86719	0.4
448.15250	1.0
449.16141	0.8
459.18008	0.7
471.18069	0.9
487.17493	1.3
489.19046	3.6
501.19107	1.7
507.20020	0.8
519.20233	3.9
633.22003	0.6
686.25854	1.8
747.25439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	0.4
61.39191	0.2
63.05169	0.2
67.05489	0.6
68.17659	0.2
69.03430	1.4
70.06590	2.3
72.08155	4.0
79.05493	0.5
80.05015	0.8
81.07056	0.4
84.08145	0.7
86.06075	0.2
86.09692	0.5
88.96649	0.2
91.05479	0.4
93.07043	0.4
94.06550	0.5
95.08594	0.2
96.08122	0.8
97.08884	0.3
99.04432	0.3
105.07040	0.5
107.04962	0.2
107.08592	0.5
108.08131	0.4
110.07167	0.3
110.09676	0.8
117.06979	0.2
119.08628	0.2
120.08085	0.5
121.06501	0.3
122.09681	1.8
125.06013	0.2
127.03944	0.2
128.07076	0.2
128.66805	0.2
129.07001	0.2
129.10274	0.3
131.08542	0.4
133.10152	0.2
134.09642	0.4
136.11218	0.9
143.08485	0.2
145.10085	0.3
147.11647	0.3
148.11211	0.3
149.05984	0.3
150.09125	1.6
152.10721	0.3
154.12305	0.2
155.03391	0.3
159.11345	0.5
162.12781	0.6
164.14392	0.5
168.10185	0.9
175.11227	0.4
181.08647	0.3
182.11702	1.5
183.06360	0.3
183.07785	0.4
184.13271	1.0
189.09071	0.3
201.08788	0.3
208.13287	0.5
220.13385	0.3
231.17085	0.5
234.14915	0.3
236.16408	2.2
246.14912	3.1
247.09692	1.6
249.11298	0.8
254.15060	0.7
262.18121	0.3
272.16083	0.8
274.17972	0.2
276.16022	0.4
282.14496	2.9
292.19131	0.3
300.15585	2.8
301.03122	0.2
302.17508	0.3
318.16913	0.6
320.14749	0.4
320.18576	7.4
321.18451	0.2
322.17706	0.2
344.18521	5.6
355.31088	0.2
360.18124	0.4
390.22891	0.3
403.19818	0.4
418.22226	100.0
419.22574	2.7
431.19464	0.3
432.20169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.9
61.02927	12.5
65.03944	2.4
67.05508	99.2
69.03437	2.6
69.07072	9.4
71.05017	4.2
73.02915	3.9
79.05496	20.9
81.03421	3.1
81.07059	38.6
83.04995	2.0
83.08619	10.3
85.02908	14.1
85.06546	3.0
87.04505	0.8
91.03951	8.1
91.05486	15.5
91.06049	0.8
93.07048	28.4
95.04996	4.1
95.08614	30.9
97.02892	6.4
97.06517	2.2
97.10187	2.8
98.23460	2.8
99.04443	1.0
99.08122	1.0
105.04503	1.5
105.07024	9.6
107.08597	16.7
109.02897	0.9
109.10160	82.7
110.10525	1.4
111.08105	2.7
117.07057	3.0
117.67039	0.7
117.87267	0.8
119.08586	11.4
121.10139	13.7
123.11725	3.5
125.09660	1.7
127.03926	3.6
129.06998	1.2
131.08571	6.0
133.10127	4.0
135.11707	9.6
137.09589	3.7
139.11166	1.1
145.04982	4.0
145.10115	3.9
147.11671	4.1
149.13266	6.4
155.10643	5.3
159.11700	5.1
161.13272	2.9
163.06012	5.5
163.14862	3.5
167.04041	0.7
173.11769	20.0
173.13275	4.0
175.14827	1.1
177.16357	1.2
180.08705	0.8
184.07330	1.7
187.14812	1.6
189.11270	1.3
190.08582	1.2
208.94348	0.7
227.12791	5.8
228.93341	1.1
229.14354	100.0
230.14659	1.0
243.21028	6.2
261.22147	24.1
317.24783	3.1
334.01324	0.8
335.25806	82.4
336.26151	1.6
348.21680	1.7
379.29767	1.6
397.30988	2.7
415.32397	1.0
471.34506	2.9
478.82843	0.9
489.35767	83.8
490.36127	2.2
507.36908	8.4
546.38232	0.9
583.22729	1.0
609.17767	0.9
633.39618	1.3
731.12775	1.0
744.14221	0.9
848.48846	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	848.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.9
61.02927	12.5
65.03944	2.4
67.05508	99.2
69.03437	2.6
69.07072	9.4
71.05017	4.2
73.02915	3.9
79.05496	20.9
81.03421	3.1
81.07059	38.6
83.04995	2.0
83.08619	10.3
85.02908	14.1
85.06546	3.0
87.04505	0.8
91.03951	8.1
91.05486	15.5
91.06049	0.8
93.07048	28.4
95.04996	4.1
95.08614	30.9
97.02892	6.4
97.06517	2.2
97.10187	2.8
98.23460	2.8
99.04443	1.0
99.08122	1.0
105.04503	1.5
105.07024	9.6
107.08597	16.7
109.02897	0.9
109.10160	82.7
110.10525	1.4
111.08105	2.7
117.07057	3.0
117.67039	0.7
117.87267	0.8
119.08586	11.4
121.10139	13.7
123.11725	3.5
125.09660	1.7
127.03926	3.6
129.06998	1.2
131.08571	6.0
133.10127	4.0
135.11707	9.6
137.09589	3.7
139.11166	1.1
145.04982	4.0
145.10115	3.9
147.11671	4.1
149.13266	6.4
155.10643	5.3
159.11700	5.1
161.13272	2.9
163.06012	5.5
163.14862	3.5
167.04041	0.7
173.11769	20.0
173.13275	4.0
175.14827	1.1
177.16357	1.2
180.08705	0.8
184.07330	1.7
187.14812	1.6
189.11270	1.3
190.08582	1.2
208.94348	0.7
227.12791	5.8
228.93341	1.1
229.14354	100.0
230.14659	1.0
243.21028	6.2
261.22147	24.1
317.24783	3.1
334.01324	0.8
335.25806	82.4
336.26151	1.6
348.21680	1.7
379.29767	1.6
397.30988	2.7
415.32397	1.0
471.34506	2.9
478.82843	0.9
489.35767	83.8
490.36127	2.2
507.36908	8.4
546.38232	0.9
583.22729	1.0
609.17767	0.9
633.39618	1.3
731.12775	1.0
744.14221	0.9
848.48846	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	850.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.8
66.93370	0.4
69.07037	0.4
69.64190	1.2
69.64526	0.4
70.06589	20.9
71.08641	3.3
72.08138	0.5
74.06035	0.5
85.10149	1.2
86.09686	0.5
88.07626	25.9
98.22754	0.7
102.09174	20.0
105.03411	0.6
121.02856	2.2
131.04918	0.6
133.02841	0.8
139.03868	2.0
146.11739	0.7
147.04411	1.1
149.02339	84.0
149.03433	6.9
150.02647	0.8
164.55095	0.3
175.03857	2.6
177.05490	2.0
191.07027	1.2
193.04951	47.5
194.05284	1.3
212.23630	0.9
219.06487	2.9
237.05174	0.4
237.07553	10.5
256.26337	61.9
257.26669	0.9
262.44388	0.4
297.03876	0.8
300.29019	1.2
313.07211	0.8
341.06528	3.5
343.08154	1.3
359.07703	1.7
385.09143	7.4
385.13660	0.7
386.09167	0.5
411.10410	0.5
429.11737	1.6
442.24551	0.4
522.62543	0.3
533.10657	1.1
570.11035	0.4
577.13239	8.0
621.15936	9.8
621.25482	0.7
622.16559	0.4
806.09662	0.6
832.38727	1.4
850.39978	100.0
851.40216	8.0
864.67969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.2
70.06590	22.1
71.08646	3.1
82.74037	0.8
85.10219	1.2
85.24472	0.9
86.09702	5.0
88.07632	23.0
94.52094	0.9
98.23465	1.7
102.09182	18.4
102.09836	1.0
104.10773	1.6
105.03433	1.1
121.02892	1.5
125.00020	3.2
139.03946	1.2
147.04459	1.4
149.02347	75.1
149.03444	7.4
171.99785	0.8
174.93573	0.7
175.03952	3.3
177.05507	1.1
184.07347	16.4
184.08833	1.3
191.07207	1.1
193.04958	39.4
212.23802	1.0
219.06627	1.5
237.07538	8.8
256.26355	54.8
257.26840	1.1
300.29199	1.3
313.07043	1.3
341.06665	2.7
343.08133	1.2
359.07922	1.4
374.04337	0.9
385.09290	5.6
429.11896	1.4
451.89493	0.9
520.34131	2.7
533.10767	1.6
575.25562	1.1
577.13568	8.0
582.39471	1.0
621.15839	8.5
832.38873	1.4
850.40070	100.0
851.40057	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	851.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34102	0.5
70.73436	0.9
77.88458	0.5
103.10784	0.5
127.03801	0.6
162.35716	0.5
162.44838	0.5
169.04709	0.6
185.04213	57.7
186.04437	0.7
203.05264	22.2
231.89964	0.5
245.04875	1.0
273.05759	1.5
275.07556	0.8
310.07590	0.5
347.09488	90.0
348.09927	2.5
365.10559	29.0
406.55289	0.5
407.11337	0.6
509.14783	18.9
510.14816	0.9
527.15808	17.6
671.19958	8.0
689.20984	10.5
851.26331	100.0
852.26477	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	851.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62384	0.2
67.05473	0.7
69.03426	2.2
69.32171	1.0
70.06586	1.1
71.04974	0.4
79.05471	0.3
80.05001	0.9
81.07034	0.3
82.06570	0.6
83.01322	0.5
84.08141	4.2
86.06033	0.3
91.05450	0.5
93.07011	0.3
94.06535	0.8
96.08099	0.7
99.04462	0.3
101.05978	0.2
105.07012	0.3
106.06517	0.4
108.08097	0.8
109.06464	0.3
110.09676	1.4
117.06998	0.2
117.66572	0.2
119.08536	0.4
120.08070	0.9
121.06506	0.4
122.09653	2.2
123.10407	0.3
125.05981	0.4
131.08553	0.3
134.09659	1.7
135.07899	0.2
135.10419	0.3
136.11201	1.8
138.09102	0.5
141.05446	0.2
145.06471	0.2
145.10120	0.2
146.09616	0.5
147.08043	0.2
148.07507	0.4
148.11194	0.3
149.05948	1.0
150.09122	1.9
151.03842	0.2
151.07549	0.4
152.10686	0.3
155.03336	0.4
155.06998	0.2
159.08011	0.4
160.08862	0.3
160.11221	0.5
161.09645	0.4
162.09125	0.2
162.12740	0.5
163.13515	0.2
164.14348	2.4
165.05547	0.4
167.07114	0.2
168.10205	3.2
171.08066	0.3
172.11197	0.2
173.09688	0.2
175.11214	0.2
176.08241	0.2
179.07039	0.5
180.10214	0.2
181.08600	0.7
182.11755	1.7
183.06479	0.7
184.09726	0.3
187.07446	0.3
189.09116	0.7
190.12299	0.6
191.10626	0.3
200.10713	0.3
204.07912	0.2
206.11742	0.2
207.06493	0.3
208.13324	1.2
217.08519	0.4
219.10149	0.6
220.13280	0.6
231.10326	0.2
234.14835	1.8
236.16432	0.8
246.14853	0.3
247.09648	25.1
248.10115	0.5
249.11212	3.3
252.16086	0.2
260.12842	0.6
260.16464	0.3
262.14307	0.2
262.15250	0.2
262.18015	2.2
267.12308	1.1
270.14862	0.2
274.18225	0.3
276.16077	0.3
284.12683	0.5
290.17368	0.2
300.27783	0.2
303.14676	0.7
304.15381	0.2
318.16974	50.6
319.17267	1.0
320.18469	0.5
328.15237	0.5
338.61285	0.2
342.17001	0.2
344.18439	0.4
348.18408	0.2
358.16431	1.4
374.19748	1.2
398.19415	0.3
401.18222	0.4
402.18652	0.3
416.20639	5.7
417.21362	4.1
418.22198	5.3
419.22971	1.2
420.22961	1.1
432.20242	0.5
433.20566	0.6
434.21713	100.0
435.22159	2.4
484.67010	0.2
623.87012	0.2
679.70459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.6
65.03942	0.9
67.05156	0.7
67.05505	11.3
69.03436	2.9
69.07066	3.3
71.01347	0.7
71.04993	3.2
72.45531	0.4
73.02918	2.7
79.05492	13.5
79.05952	0.8
81.03416	30.7
81.07056	14.9
83.01340	2.4
83.04980	8.4
83.05395	0.3
83.08620	12.6
84.57423	0.3
85.02905	14.4
85.06550	0.9
91.03959	3.7
91.04461	0.5
91.05479	14.2
93.03421	0.4
93.07043	14.3
95.04966	12.9
95.08597	5.7
97.02889	5.0
97.06534	3.6
97.10175	2.0
99.04448	1.4
99.08097	0.4
101.02478	0.4
105.04514	0.9
105.07028	9.7
105.07741	0.6
107.04949	6.0
107.08593	7.1
109.02871	0.5
109.06503	4.2
109.10146	2.0
111.04382	2.1
111.08090	4.3
111.11752	0.4
113.06007	0.8
115.05472	0.5
117.07004	3.6
119.08578	9.8
121.06512	2.0
121.10142	6.0
123.08072	4.8
123.11735	0.4
125.06008	0.7
125.09637	1.3
127.03918	1.6
127.11285	0.3
128.06253	0.4
129.05498	0.5
129.07004	4.7
130.07797	0.4
131.08560	5.4
133.06476	1.2
133.10121	4.6
135.08052	1.2
135.11687	5.1
137.09641	1.4
142.07771	1.0
145.04982	2.2
145.06480	0.4
145.10115	7.0
147.08044	2.1
147.11678	5.9
149.09593	2.6
153.12766	0.9
155.08563	0.7
157.10124	5.4
163.06020	1.7
163.11182	10.7
164.53658	0.4
165.12770	0.8
173.09575	1.7
175.11172	7.0
181.12204	1.4
191.10710	1.5
192.13971	0.5
193.12241	17.4
201.83521	0.4
209.11804	2.7
211.13278	26.5
212.13611	0.6
227.12755	1.9
249.14880	0.8
265.14526	0.5
267.15945	7.7
283.15384	33.5
285.16962	23.5
286.17545	0.4
383.21985	1.7
401.23312	1.1
457.25912	4.1
475.26874	17.4
476.27408	1.0
493.27951	100.0
494.28265	2.9
501.11472	0.4
637.32367	1.0
737.22375	0.4
852.33069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.3
67.05502	2.0
69.03427	1.6
70.06590	0.6
70.15357	0.2
71.04997	1.4
75.73583	0.2
76.78429	0.2
79.05496	1.5
80.05020	1.1
80.16895	0.2
81.03407	0.3
81.07057	0.9
82.06562	0.3
83.01316	1.1
83.04961	0.2
85.06554	2.4
86.06059	0.9
91.05486	1.8
93.07057	1.7
94.06565	0.7
95.04971	1.7
95.08637	0.5
96.08140	0.5
97.06527	0.6
98.06040	0.5
99.04437	1.1
103.05445	0.3
106.06550	1.6
107.04953	1.1
107.08604	0.7
108.08102	0.5
109.06518	1.4
110.05986	0.3
110.09670	0.5
111.08081	4.3
112.07607	0.4
115.03973	0.3
115.05451	0.3
117.07005	0.7
118.06554	0.4
119.04971	0.3
119.08572	1.1
120.08110	1.1
121.06528	1.2
122.09667	1.7
123.04488	0.4
123.08047	0.6
124.07583	0.4
125.05993	0.9
126.09144	0.2
127.03925	1.7
127.07552	0.5
128.06229	0.4
129.07014	0.8
130.06535	0.6
130.07680	0.3
131.04909	0.3
131.08551	1.1
132.08076	0.5
133.06480	0.8
133.10085	0.4
134.09708	1.2
135.04436	0.3
135.08044	0.7
136.07588	0.8
136.11188	0.5
137.05980	1.2
138.09128	0.3
139.07545	1.3
141.05475	0.6
142.07738	0.5
143.08644	0.4
144.08116	0.4
145.06493	1.0
145.10118	0.8
146.09621	0.6
147.08084	0.8
148.07561	0.8
148.11177	0.3
149.05972	0.3
150.09137	1.3
150.12837	0.3
151.03923	2.1
151.07562	0.8
152.10709	1.3
153.05450	0.7
155.03391	2.3
155.07057	3.9
155.08516	0.6
157.06502	0.3
157.10153	0.4
158.07288	0.3
158.09613	0.4
159.08052	0.9
160.11191	0.5
161.06033	0.3
161.09645	0.4
162.09148	0.7
162.32744	0.2
163.07552	0.5
164.10693	0.3
165.05484	4.6
165.09070	0.4
166.08655	0.8
167.07045	1.5
167.08427	0.4
168.07948	0.3
168.10184	1.3
170.11826	0.7
171.08202	0.2
172.11209	0.7
173.05962	0.5
173.09659	0.9
175.07578	0.8
175.11249	0.4
176.10754	0.4
177.09148	0.7
178.08629	0.3
178.12292	0.4
179.07014	0.8
179.10623	0.3
180.10226	0.3
181.08607	0.4
182.11823	1.5
183.06541	11.5
183.07979	0.6
184.09692	0.3
185.09604	0.8
187.07561	0.3
187.11244	0.4
189.09087	0.6
190.12280	0.5
193.08641	0.3
195.06541	0.5
195.08138	0.3
197.08113	0.7
199.07669	0.3
200.10744	0.3
201.09070	0.9
203.10651	0.4
205.08644	0.7
207.06538	0.9
207.10147	0.5
213.09164	0.4
215.10652	0.4
217.08534	0.4
218.11758	0.6
219.10219	0.3
220.13339	0.5
227.10625	0.3
229.08536	0.3
230.47458	0.3
231.10159	0.5
233.11708	0.4
234.14862	0.6
236.12776	0.5
236.16402	1.2
243.10216	0.5
245.11922	0.3
247.09552	1.2
249.11282	0.6
256.07391	0.3
260.16571	0.4
261.11230	1.9
263.09052	1.3
267.12299	1.0
270.14508	0.3
271.09604	0.5
273.11215	2.5
275.12814	0.6
278.17810	0.3
279.10190	0.3
288.16061	0.4
290.13678	0.4
297.11108	0.3
306.16766	0.4
314.13867	0.3
314.18277	0.3
318.17047	0.7
323.09000	0.3
336.18073	0.8
340.19064	0.6
342.17068	0.6
360.18039	0.9
384.18167	0.4
388.21304	0.5
402.19431	0.4
416.20667	5.5
420.20163	100.0
421.20517	2.6
434.17557	37.7
434.21796	64.8
435.17917	0.9
435.22253	1.2
436.23386	0.7
853.45715	0.4
887.42169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70595	0.2
62.45344	0.3
67.05495	1.0
69.03431	2.0
69.56505	0.6
69.91010	0.2
70.06583	0.4
71.04992	1.2
79.05500	1.2
80.05001	1.1
81.07042	0.7
82.06611	0.4
83.01349	0.8
83.31139	0.2
85.06548	2.0
86.06069	0.8
91.05483	1.2
93.07040	1.2
94.06558	0.8
95.04958	1.5
95.08656	0.4
96.08180	0.4
98.06065	0.3
98.23399	0.5
99.04465	1.9
106.06583	1.2
107.04940	0.6
107.15021	0.3
108.08163	0.4
109.06525	1.5
110.09671	0.3
111.08087	5.6
117.06999	0.6
118.06546	0.4
119.08559	1.3
120.08096	0.4
121.06492	0.6
121.10033	0.2
122.09680	1.6
123.04470	0.5
123.08105	0.4
124.07616	0.4
125.05997	0.6
127.03924	1.7
127.07565	0.4
128.06209	0.3
129.07060	0.4
130.06528	0.3
130.07726	0.2
131.08580	0.7
133.06491	0.5
133.10123	0.4
134.09653	0.9
136.07607	0.5
136.11232	0.3
137.05983	1.4
138.09131	0.8
139.07561	1.1
140.04689	0.4
140.08360	0.3
143.08563	0.7
145.06421	0.7
145.10112	0.5
146.09673	0.3
147.08044	0.6
148.07559	0.5
150.09163	1.5
150.12775	0.3
151.03902	2.1
151.07552	0.4
152.10706	1.4
153.05469	0.6
155.03394	1.6
155.07028	5.1
155.08334	0.4
159.08118	0.5
159.57224	0.2
160.07550	0.4
160.11259	0.3
161.05923	0.4
161.09586	0.6
162.12756	0.4
165.05493	4.9
165.09171	0.3
166.08617	0.4
167.07091	1.0
168.10225	1.5
170.11786	0.5
173.09676	0.5
175.07573	0.5
176.10718	0.5
178.12317	0.4
178.90105	0.3
181.08609	0.4
182.11810	1.2
183.06531	16.1
184.09763	0.4
185.09636	0.5
186.09070	0.4
188.10742	0.3
189.09152	0.4
195.06523	0.5
197.08118	0.6
201.09213	0.3
205.08507	0.4
207.06468	0.5
218.11714	0.4
221.11771	0.6
231.10210	0.3
234.15012	0.3
236.12807	0.3
236.16545	0.6
241.79182	0.2
244.13351	0.3
247.09743	0.4
249.11305	1.0
252.16177	0.3
260.16608	0.5
261.11288	1.0
262.18228	0.3
263.09232	0.9
267.12308	2.0
271.09854	0.3
273.11292	1.7
274.10910	0.3
275.12912	0.4
278.17456	0.3
306.17087	0.4
318.17059	0.7
334.16669	0.3
336.18011	0.7
340.18985	0.5
360.18039	0.8
388.21289	0.5
398.19998	0.4
416.20624	5.2
420.20169	55.9
421.20523	1.7
434.17117	9.4
434.22339	100.0
435.22693	3.0
564.32654	0.3
657.27643	0.3
727.49054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64760	0.2
66.95936	0.2
67.05513	1.0
69.03425	1.6
69.42822	0.7
70.06593	0.5
71.04981	0.8
73.17812	0.2
79.05476	1.0
80.05035	1.0
81.03428	0.2
81.07069	0.6
83.01343	0.6
83.04961	0.3
83.07395	0.2
84.04454	0.2
84.08154	0.4
85.06542	2.0
86.06078	0.9
91.05486	1.1
93.07056	0.8
94.06548	0.8
95.04969	0.9
96.08119	0.5
97.06537	0.2
98.06030	0.4
98.22598	0.2
99.04464	0.6
103.05529	0.2
106.06543	0.6
107.04980	0.3
107.08611	0.4
108.08068	0.4
109.06500	0.9
110.09717	0.3
111.08080	4.0
112.07621	0.3
117.07001	0.4
118.06543	0.3
119.08608	0.7
120.08130	0.5
121.06524	0.6
122.09677	1.3
123.04427	0.5
123.08054	0.4
124.07583	0.4
124.11254	0.2
125.06009	0.7
126.09176	0.4
127.03918	1.1
127.07555	0.5
129.07018	0.4
130.07809	0.2
131.08569	0.3
132.08112	0.5
133.06474	0.3
133.10072	0.2
134.09674	0.6
135.08025	0.3
136.07620	0.3
136.11201	0.8
137.05966	0.9
137.09628	0.2
137.11946	0.2
138.09169	0.4
139.07556	0.6
140.04701	0.2
141.05479	0.4
143.08583	0.3
145.06470	0.4
145.10136	0.4
146.05965	0.2
146.07161	0.2
147.08037	0.4
147.11612	0.3
148.11273	0.2
149.06056	0.3
150.09163	1.5
150.12779	0.4
151.03920	1.7
151.07518	0.3
152.10716	1.1
153.05492	0.6
154.12323	0.3
155.03392	0.8
155.07033	3.1
155.08447	0.2
159.08028	0.3
160.11121	0.2
161.09634	0.4
162.09125	0.3
162.12762	0.8
164.10736	0.4
165.05495	3.5
165.09052	0.3
167.07053	0.5
168.10237	1.3
171.08011	0.3
173.09583	0.4
174.12790	0.2
175.07587	0.3
175.11211	0.4
175.33777	0.2
176.10768	0.2
177.09261	0.2
178.12291	0.5
179.07068	0.3
180.10197	0.2
180.13673	0.2
181.08620	0.4
182.11768	1.6
183.06526	10.4
186.09129	0.2
188.10738	0.2
188.14287	0.2
189.09128	0.6
190.09952	0.3
190.12379	0.3
197.08067	0.4
200.10744	0.4
205.08578	0.3
205.12202	0.3
206.11890	0.2
207.10329	0.2
208.13383	0.3
218.11810	0.3
220.13298	0.2
221.11678	0.4
227.10614	0.2
231.10211	0.4
234.14919	0.5
236.16469	2.8
247.09625	0.5
249.11223	0.6
252.15811	0.2
260.12811	0.2
260.16577	0.3
261.11243	0.4
262.18207	0.2
263.09152	0.4
267.12265	1.3
273.11310	0.5
278.17593	0.2
288.15683	0.2
306.16760	0.2
318.16983	0.6
334.16495	0.2
336.18057	1.2
340.19223	0.2
342.17041	0.6
360.18030	0.8
388.21371	0.4
398.19690	0.3
402.19116	0.7
407.46204	0.2
416.20752	5.0
420.20169	41.2
421.20502	1.2
422.21780	0.5
432.20071	0.2
434.21982	100.0
435.22424	2.4
436.22714	0.2
853.45203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.5
68.05022	0.2
69.03426	1.2
69.07065	0.2
70.06590	0.2
71.04995	0.6
78.08020	0.1
79.05485	0.5
80.05019	0.6
80.45592	0.1
81.07059	0.3
82.06600	0.2
83.01316	0.2
83.04951	0.2
84.04527	0.1
84.08144	0.2
85.06553	1.3
86.06072	0.7
90.72073	0.1
91.05483	0.7
93.07021	0.7
94.06561	0.7
95.04951	0.6
95.08600	0.2
96.08128	0.3
97.06519	0.3
98.06056	0.4
98.22703	0.3
99.04442	0.4
105.07013	0.7
107.04949	0.2
107.08601	0.2
108.08099	0.5
109.06530	0.3
109.08841	0.1
110.09681	0.3
111.08080	2.5
112.07578	0.1
117.07018	0.4
119.08566	0.6
120.08094	0.4
121.06502	0.7
122.09663	1.5
123.04418	0.2
123.08106	0.2
124.07610	0.2
124.11304	0.1
125.05983	0.7
125.09666	0.1
127.03923	0.5
127.07633	0.2
128.06201	0.2
129.07013	0.2
130.07759	0.1
131.08589	0.2
132.08072	0.2
133.06508	0.3
133.10118	0.2
134.09665	0.9
135.08055	0.3
136.11217	0.4
137.06015	0.4
137.09682	0.2
137.11978	0.2
138.09145	0.5
139.07553	0.3
141.05453	0.2
143.08556	0.3
144.08110	0.2
145.06491	0.3
145.10112	0.3
146.09637	0.3
147.08061	0.3
147.11694	0.2
148.07558	0.2
148.11205	0.1
149.06000	0.3
149.09662	0.2
150.09132	1.3
150.12764	0.2
151.03876	0.4
151.07501	0.3
152.10690	1.5
153.05479	0.6
153.09103	0.1
155.03407	0.4
155.07042	0.9
159.08086	0.2
160.11224	0.3
161.05951	0.3
161.09622	0.5
162.09167	0.2
162.12811	0.4
163.07599	0.1
164.10715	0.2
165.05479	1.3
165.09116	0.3
166.08641	0.1
167.07066	0.2
168.10191	1.1
171.08167	0.1
172.11205	0.2
173.09641	0.4
174.12796	0.2
175.07553	0.2
175.11194	0.4
176.10757	0.4
177.09128	0.2
177.12801	0.1
178.12273	0.3
178.15834	0.2
179.10684	0.2
180.10161	0.2
181.08609	0.7
182.11766	2.1
182.13361	0.2
183.06525	4.5
183.08150	0.3
185.09624	0.2
187.11295	0.1
188.10664	0.2
189.09109	0.5
190.09929	0.3
190.12244	0.4
191.10696	0.2
193.08633	0.2
193.12253	0.2
194.11839	0.1
197.08147	0.4
201.09204	0.2
202.12180	0.2
203.10690	0.2
205.08557	0.2
205.12260	0.5
206.11902	0.1
207.10187	0.1
208.13373	0.4
214.12210	0.1
216.13809	0.2
221.11661	0.4
227.10541	0.1
231.10216	0.2
232.13292	0.2
234.14888	1.3
236.12733	0.2
242.15482	0.3
246.11305	0.1
246.14839	0.1
249.11340	0.2
252.16057	0.3
256.99002	0.1
258.14954	0.2
260.12894	0.3
260.16409	0.4
261.11169	0.2
262.14316	0.2
262.18039	0.3
267.12247	0.3
270.14938	0.2
273.11240	0.2
278.17517	0.2
288.16141	0.1
290.17294	0.2
292.15439	0.1
292.46445	0.1
302.17587	0.2
304.15359	0.3
306.17157	0.3
314.17532	0.3
318.17010	1.6
328.15472	0.2
332.18567	0.1
334.16318	0.2
336.18008	2.0
340.19180	0.5
342.16971	1.0
359.17212	0.2
360.17993	1.2
370.20279	0.3
372.21796	0.3
388.21097	1.4
398.19611	0.3
416.20657	13.2
417.20984	0.4
420.20135	10.7
421.20361	0.3
433.20090	0.1
434.21707	100.0
435.22015	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	853.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03505	0.2
67.05514	0.8
69.03432	2.6
70.06593	3.6
71.05053	0.2
79.05560	0.5
80.05024	0.8
81.07111	0.6
82.06629	0.4
83.01385	0.3
83.07431	0.3
84.08138	1.0
91.05542	0.5
93.07114	0.5
94.06635	0.5
95.05006	0.4
95.08662	0.6
96.08126	0.8
97.08952	0.4
97.55389	0.2
99.04514	0.2
101.06088	0.2
105.07108	0.6
106.06583	0.2
107.08633	0.3
108.08136	0.3
109.08945	0.4
109.10218	0.2
110.09687	1.7
111.08130	0.3
115.05424	0.2
117.07072	0.3
119.08594	0.4
120.08172	0.3
121.06564	0.3
122.09660	1.3
123.08109	0.4
124.11297	0.4
127.03931	0.2
131.08612	0.2
133.06570	0.2
134.09750	0.7
135.08131	0.4
135.10544	0.2
136.11281	0.5
137.06059	0.3
137.09676	0.3
138.09158	0.8
138.12814	0.4
141.05553	0.2
143.08652	0.4
145.10228	0.5
145.68442	0.2
146.09676	0.3
148.11250	0.3
149.06075	0.5
149.12090	0.2
150.09250	0.7
150.12862	0.2
151.07579	0.2
152.10808	0.3
153.05586	0.2
153.09187	0.2
155.03455	0.3
155.07108	0.3
160.08907	0.2
161.06056	0.2
161.09572	0.3
162.12891	0.7
163.07643	0.2
165.05536	0.3
165.09206	0.3
166.12332	0.3
167.07135	0.3
168.10278	0.4
170.11749	0.4
171.08121	0.3
173.09682	0.2
175.07584	0.2
175.11237	0.3
176.14453	0.2
177.09305	0.2
179.07153	0.2
181.08598	0.8
182.11761	1.5
183.06638	0.5
184.13326	5.0
185.09651	0.2
187.11258	0.2
189.09193	0.4
190.12364	0.2
190.15915	0.4
193.08582	0.2
196.13387	0.4
202.12350	0.2
204.07811	0.2
205.08710	0.2
208.13423	0.5
210.15007	0.4
217.08755	0.4
219.06552	0.3
219.10225	0.3
220.13507	0.3
221.11884	0.4
234.14977	0.3
236.16493	1.9
246.14899	4.4
247.09634	3.8
249.11206	5.5
250.11549	0.2
254.17615	0.5
262.18076	0.3
264.19608	0.9
276.15952	0.3
292.19189	0.4
302.14136	0.3
302.17621	0.5
304.15912	0.2
316.15442	0.2
318.16916	0.8
320.18561	7.1
330.17007	0.2
342.16980	0.5
342.20721	0.3
344.18546	7.3
345.19095	0.2
360.17993	1.2
372.21768	0.2
400.20889	0.8
403.19876	1.1
418.22241	22.9
419.22507	1.1
420.23209	0.2
434.21362	0.3
435.22293	0.4
436.23291	100.0
437.23682	3.0
887.49597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08739	0.1
67.05409	0.8
67.87916	0.1
68.04974	0.2
69.03339	2.4
69.03746	0.3
69.53547	0.1
70.06497	3.2
70.06921	0.4
71.04923	0.3
79.05394	0.7
80.04922	0.4
81.06960	0.6
82.06479	0.5
83.01263	0.2
83.04917	0.2
84.08042	1.3
91.05379	0.6
93.06939	0.5
94.06465	0.7
95.04918	0.2
95.07269	0.2
95.08539	0.3
96.08021	0.8
97.08793	0.5
97.98365	0.1
98.22697	0.3
99.04388	0.3
101.05970	0.3
105.03251	0.1
105.07023	0.7
107.08469	0.5
108.08014	0.5
109.08780	0.4
110.05956	0.2
110.09692	1.4
116.57663	0.1
117.06950	0.3
119.04868	0.2
119.08478	0.3
120.07989	0.4
121.06389	0.5
122.09658	1.3
123.04383	0.1
123.08010	0.3
124.07551	0.2
124.11139	0.4
125.05885	0.2
127.03853	0.2
129.06895	0.2
131.08449	0.3
133.06438	0.2
133.10063	0.3
134.09544	0.7
135.08000	0.2
135.10364	0.2
136.11214	0.7
137.05887	0.3
137.09444	0.1
138.09161	0.9
138.12671	0.2
139.07436	0.3
141.05360	0.2
143.08415	0.5
143.09480	0.1
144.08058	0.2
145.06352	0.2
145.10052	0.2
147.07939	0.2
147.11639	0.2
148.11086	0.5
149.05853	0.6
149.09512	0.2
150.09138	1.1
150.12711	0.2
151.03812	0.2
151.07507	0.1
152.10686	0.3
153.05437	0.3
153.09018	0.2
154.12195	0.2
155.03323	0.2
155.06927	0.3
155.08305	0.1
159.07953	0.2
160.08702	0.2
160.11143	0.3
161.09517	0.4
162.12816	1.0
164.10640	0.2
164.14351	0.2
165.05334	0.4
165.09006	0.4
166.12225	0.2
167.07030	0.2
168.10100	0.5
170.11688	0.3
171.07912	0.3
173.09491	0.2
175.07475	0.2
175.11072	0.4
177.05350	0.2
179.06929	0.3
181.08592	0.7
181.09929	0.1
182.11771	1.7
183.06451	0.3
184.13324	4.5
187.07475	0.2
188.14255	0.2
189.08995	0.5
190.12117	0.2
190.15811	0.4
191.10590	0.2
193.04848	0.2
196.13188	0.3
200.12737	0.1
201.05443	0.1
203.10460	0.2
205.08485	0.2
205.12184	0.2
208.13155	0.4
210.14804	0.3
216.07755	0.2
217.08470	0.6
218.15248	0.2
219.10043	0.2
220.13214	0.2
221.07846	0.2
221.11388	0.2
228.13699	0.2
231.10083	0.2
233.11595	0.2
234.08826	0.3
234.14783	0.4
236.16434	2.1
246.14891	4.2
247.09650	3.8
247.15155	0.3
249.11220	5.4
250.11571	0.2
251.12621	0.2
260.12756	0.2
260.16150	0.2
264.19580	0.8
272.16434	0.2
276.15952	0.2
286.17639	0.1
292.18933	0.3
302.17377	0.3
304.15439	0.2
308.18478	0.2
316.15268	0.2
318.16949	0.9
320.18567	7.6
321.19064	0.2
328.15579	0.2
330.16855	0.4
338.19623	0.2
342.16916	0.4
342.20444	0.2
344.18555	6.5
345.18832	0.3
360.18134	1.1
372.21719	0.2
374.23340	0.2
400.20978	0.7
403.19864	1.0
418.22217	25.1
419.22556	2.1
420.22781	0.4
434.21780	1.3
435.22122	1.9
436.23282	100.0
437.10239	0.3
437.23727	4.2
597.15271	0.1
662.72247	0.1
853.26953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54820	0.2
67.05428	1.1
69.03357	2.7
69.03766	0.2
70.06512	3.5
71.04919	0.3
79.05418	0.7
80.04948	0.5
81.06976	0.6
82.06493	0.7
83.01279	0.4
83.07294	0.3
84.08141	1.3
84.21428	0.2
85.06467	0.3
91.05403	0.6
93.06945	0.6
94.06485	0.8
95.04917	0.4
95.07304	0.2
95.08549	0.5
96.08144	1.1
97.06466	0.2
97.08818	0.8
105.06950	0.7
106.06490	0.2
107.04909	0.3
107.08483	0.5
108.08018	0.9
109.06424	0.5
109.08813	0.3
110.09685	2.5
111.08020	0.2
117.06956	0.3
119.04756	0.2
119.08503	0.4
120.07998	0.8
121.02747	0.2
121.06487	0.4
121.08874	0.2
122.03450	0.2
122.09658	1.5
123.08039	0.3
123.10350	0.3
124.11119	0.7
124.11944	0.2
125.05904	0.3
127.03810	0.7
129.05388	0.2
129.06885	0.2
131.08458	0.4
132.07971	0.2
133.06441	0.3
133.10059	0.4
134.09660	0.9
135.07983	0.5
136.11235	1.0
136.12042	0.3
137.05927	0.3
137.09512	0.3
138.09128	1.8
138.12692	0.5
139.07454	0.2
141.05339	0.3
142.12253	0.5
143.08456	0.5
145.06410	0.2
145.10088	0.5
146.09561	0.4
147.07962	0.3
148.11150	0.5
149.05988	0.9
149.09521	0.3
150.09048	0.8
150.12775	0.2
151.03790	0.2
151.07471	0.3
152.10646	0.4
153.09216	0.2
155.03311	0.2
155.07014	0.3
159.07971	0.4
160.11150	0.4
161.09525	0.2
161.11954	0.3
162.12752	1.2
163.07430	0.3
164.14276	0.2
165.05379	0.6
166.12119	0.3
167.06979	0.5
171.07997	0.3
173.09447	0.2
175.11107	0.5
176.08260	0.3
176.14326	0.4
179.07002	0.3
181.08511	0.7
182.11671	0.5
183.06459	0.3
184.13359	1.0
187.07433	0.3
188.10599	0.2
188.14218	0.3
189.09079	0.9
190.00211	0.2
190.12184	0.3
190.15805	0.6
191.10696	0.2
195.78365	0.2
196.13322	1.2
198.13028	0.3
198.14896	4.3
202.12065	0.2
205.08488	0.2
205.12097	0.2
208.13286	0.2
209.08034	0.2
209.14130	0.2
210.14803	0.5
217.08539	0.4
219.06456	0.3
219.10115	0.2
220.13219	0.4
221.08118	0.2
221.11697	0.4
222.14861	0.4
224.16391	0.4
228.13855	0.4
231.10117	0.3
234.08800	0.5
235.09741	0.3
236.16367	0.5
246.14893	8.5
247.09650	8.2
247.15060	0.3
248.16367	0.3
249.11220	5.2
250.11647	0.2
250.18042	2.5
262.18088	0.2
268.16708	0.3
272.16525	0.3
277.61310	0.2
278.13889	0.4
278.21072	1.3
284.12744	0.2
284.16504	0.3
286.17926	0.3
287.05518	1.5
288.05710	0.5
290.17352	0.2
302.13730	0.3
302.17294	0.4
306.20569	0.3
318.16922	1.1
320.18494	1.5
330.17065	0.4
334.20120	7.9
335.20441	0.3
342.17044	0.6
344.18567	13.5
372.21616	0.3
374.19586	2.4
400.21100	1.0
402.19308	0.4
404.20639	3.3
405.20996	1.3
417.21500	2.0
418.22211	9.9
419.22516	0.4
432.23813	30.2
433.24149	1.1
436.23355	4.4
450.24872	100.0
451.25153	2.7
461.79001	0.2
574.64679	0.2
705.09857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.448
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47017	0.2
67.05447	0.9
68.04977	0.2
69.03428	2.8
69.07058	0.2
70.06596	3.2
70.65644	0.2
71.04945	0.3
79.05428	0.6
80.04974	0.4
80.63623	0.2
81.07015	0.5
82.06543	0.4
83.01321	0.3
83.07323	0.3
84.08156	1.2
91.05422	0.6
93.07030	0.8
94.06490	0.6
95.04900	0.3
95.07314	0.2
95.08533	0.5
96.08134	1.5
97.06479	0.2
97.08869	0.5
99.04417	0.3
103.05407	0.2
105.06960	0.7
107.04902	0.2
107.08554	0.4
108.08061	0.7
108.59311	0.2
109.06441	0.4
109.08830	0.4
109.50147	0.2
110.09691	1.9
110.81661	0.2
111.04424	0.2
117.07001	0.3
119.08523	0.5
120.08038	0.5
121.06469	0.4
122.09660	1.3
123.08023	0.3
124.11163	0.6
125.05954	0.2
127.03850	0.3
131.08536	0.4
134.09660	0.8
135.07977	0.4
135.10385	0.3
136.11143	0.6
137.05904	0.2
137.12004	0.2
138.09138	1.5
138.12685	0.5
142.12291	1.4
143.08502	0.2
145.10081	0.3
146.09576	0.4
147.07991	0.3
148.11153	0.5
149.05962	1.0
150.09079	0.7
150.12749	0.3
151.07506	0.3
152.10683	0.2
153.05469	0.3
155.03259	0.2
155.06943	0.2
159.08011	0.3
160.08766	0.4
160.11115	0.3
161.05911	0.2
161.09555	0.4
162.12767	1.3
163.07431	0.2
163.11107	0.3
164.10747	0.3
165.09045	0.3
166.12254	0.2
168.10031	0.2
171.07950	0.4
173.09506	0.3
175.07503	0.3
175.11076	0.3
176.10463	0.2
176.14339	0.2
179.07086	0.4
181.08563	0.6
182.11697	0.6
183.06442	0.4
184.13255	0.7
187.07567	0.2
188.14322	0.2
189.08997	0.8
190.12178	0.2
190.15810	0.6
191.10574	0.4
193.08539	0.3
196.13312	1.0
198.14882	3.5
203.10567	0.2
207.06581	0.2
210.14822	0.3
216.07925	0.3
216.13905	0.3
217.08472	0.4
219.10147	0.4
220.13292	0.3
221.08098	0.3
221.11783	0.3
231.10129	0.2
234.08748	0.3
234.14851	0.3
236.16467	0.6
246.14886	8.2
247.09651	11.1
248.09908	0.4
249.11243	4.3
250.18042	1.7
274.14587	0.2
274.17975	0.2
278.13968	0.4
278.21188	1.0
286.14127	0.2
286.17871	0.3
288.15958	0.2
300.19553	0.2
302.10477	0.2
302.13876	0.6
302.17206	0.5
303.18161	0.2
304.15222	0.2
306.20508	0.4
318.17065	1.4
320.18616	1.6
328.15433	0.2
329.15991	0.3
330.16815	0.3
334.20114	7.6
342.16861	0.4
344.18564	14.7
345.18991	0.4
360.18146	0.3
368.18539	0.5
372.21805	0.3
374.19574	1.5
386.19516	0.2
400.21350	0.9
402.19080	0.3
403.19717	0.3
404.20657	6.0
405.20825	0.3
406.22195	0.6
417.21432	1.5
418.22232	9.6
419.22571	0.9
432.23819	29.6
433.24152	1.1
434.22055	0.2
436.23459	1.6
450.24866	100.0
451.25272	3.6
452.25110	0.3
465.30017	0.2
613.34314	0.2
837.76544	0.2
853.45374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54820	0.2
67.05428	1.1
69.03357	2.7
69.03766	0.2
70.06512	3.5
71.04919	0.3
79.05418	0.7
80.04948	0.5
81.06976	0.6
82.06493	0.7
83.01279	0.4
83.07294	0.3
84.08141	1.3
84.21428	0.2
85.06467	0.3
91.05403	0.6
93.06945	0.6
94.06485	0.8
95.04917	0.4
95.07304	0.2
95.08549	0.5
96.08144	1.1
97.06466	0.2
97.08818	0.8
105.06950	0.7
106.06490	0.2
107.04909	0.3
107.08483	0.5
108.08018	0.9
109.06424	0.5
109.08813	0.3
110.09685	2.5
111.08020	0.2
117.06956	0.3
119.04756	0.2
119.08503	0.4
120.07998	0.8
121.02747	0.2
121.06487	0.4
121.08874	0.2
122.03450	0.2
122.09658	1.5
123.08039	0.3
123.10350	0.3
124.11119	0.7
124.11944	0.2
125.05904	0.3
127.03810	0.7
129.05388	0.2
129.06885	0.2
131.08458	0.4
132.07971	0.2
133.06441	0.3
133.10059	0.4
134.09660	0.9
135.07983	0.5
136.11235	1.0
136.12042	0.3
137.05927	0.3
137.09512	0.3
138.09128	1.8
138.12692	0.5
139.07454	0.2
141.05339	0.3
142.12253	0.5
143.08456	0.5
145.06410	0.2
145.10088	0.5
146.09561	0.4
147.07962	0.3
148.11150	0.5
149.05988	0.9
149.09521	0.3
150.09048	0.8
150.12775	0.2
151.03790	0.2
151.07471	0.3
152.10646	0.4
153.09216	0.2
155.03311	0.2
155.07014	0.3
159.07971	0.4
160.11150	0.4
161.09525	0.2
161.11954	0.3
162.12752	1.2
163.07430	0.3
164.14276	0.2
165.05379	0.6
166.12119	0.3
167.06979	0.5
171.07997	0.3
173.09447	0.2
175.11107	0.5
176.08260	0.3
176.14326	0.4
179.07002	0.3
181.08511	0.7
182.11671	0.5
183.06459	0.3
184.13359	1.0
187.07433	0.3
188.10599	0.2
188.14218	0.3
189.09079	0.9
190.00211	0.2
190.12184	0.3
190.15805	0.6
191.10696	0.2
195.78365	0.2
196.13322	1.2
198.13028	0.3
198.14896	4.3
202.12065	0.2
205.08488	0.2
205.12097	0.2
208.13286	0.2
209.08034	0.2
209.14130	0.2
210.14803	0.5
217.08539	0.4
219.06456	0.3
219.10115	0.2
220.13219	0.4
221.08118	0.2
221.11697	0.4
222.14861	0.4
224.16391	0.4
228.13855	0.4
231.10117	0.3
234.08800	0.5
235.09741	0.3
236.16367	0.5
246.14893	8.5
247.09650	8.2
247.15060	0.3
248.16367	0.3
249.11220	5.2
250.11647	0.2
250.18042	2.5
262.18088	0.2
268.16708	0.3
272.16525	0.3
277.61310	0.2
278.13889	0.4
278.21072	1.3
284.12744	0.2
284.16504	0.3
286.17926	0.3
287.05518	1.5
288.05710	0.5
290.17352	0.2
302.13730	0.3
302.17294	0.4
306.20569	0.3
318.16922	1.1
320.18494	1.5
330.17065	0.4
334.20120	7.9
335.20441	0.3
342.17044	0.6
344.18567	13.5
372.21616	0.3
374.19586	2.4
400.21100	1.0
402.19308	0.4
404.20639	3.3
405.20996	1.3
417.21500	2.0
418.22211	9.9
419.22516	0.4
432.23813	30.2
433.24149	1.1
436.23355	4.4
450.24872	100.0
451.25153	2.7
461.79001	0.2
574.64679	0.2
705.09857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.1
67.05505	6.5
69.03430	4.3
69.07077	1.6
71.01395	0.7
71.05001	0.9
73.02915	4.4
79.05505	2.6
81.03429	2.6
81.07059	4.9
81.07507	0.4
83.05002	0.7
83.08627	0.7
85.02905	7.7
85.06547	0.4
87.04462	0.5
89.06070	0.5
91.03952	4.6
91.04417	0.5
91.05488	2.7
93.07053	2.9
95.05002	1.5
95.08612	2.8
97.02892	6.9
97.06517	0.4
97.10187	0.6
99.04478	1.2
101.02405	2.3
103.03987	0.7
105.07062	1.4
106.58240	0.4
107.04981	0.4
107.08580	1.9
109.02914	1.1
109.06554	0.7
109.10164	3.8
111.08060	0.5
115.03987	0.5
117.07073	0.6
119.08608	1.3
121.06608	0.3
121.10181	1.2
127.03950	2.5
131.08589	1.0
132.87773	0.3
133.10178	1.3
135.11679	0.8
145.04996	0.6
145.10167	0.8
147.11852	0.5
149.09677	0.6
149.13326	0.4
159.11664	0.4
173.11778	1.6
185.04301	0.8
195.09999	0.9
203.05272	0.5
227.12808	0.4
227.72786	0.4
229.14409	0.7
243.08440	2.4
251.12682	0.5
274.18579	0.4
275.20139	0.5
291.19775	1.4
347.09451	2.1
349.23508	0.5
363.09055	0.7
365.10577	0.9
365.23331	0.6
405.13696	6.2
413.17838	6.1
519.29266	7.4
545.33783	0.4
559.36597	1.1
575.23010	4.9
585.09448	0.4
656.41876	0.7
681.34650	7.4
682.35278	0.5
691.40332	2.8
853.45490	100.0
854.45844	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	854.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	9.3
65.03944	1.3
67.05503	23.9
69.03433	6.4
69.07065	6.9
71.01353	0.6
71.04996	4.7
73.02925	2.3
73.06552	0.5
77.03949	0.7
78.91982	0.4
79.05492	25.8
81.03417	84.6
81.07053	31.3
82.03728	0.6
83.04980	18.9
83.08618	28.4
85.02904	33.7
85.06544	1.6
87.04470	1.2
91.03960	6.3
91.05479	35.8
93.07048	18.1
93.07657	0.5
95.04967	34.0
95.08607	10.6
97.02886	8.5
97.06540	4.4
97.10161	5.3
99.04468	0.6
99.08060	1.2
105.04501	1.5
105.07028	25.1
107.04951	8.8
107.08587	7.9
109.02892	0.8
109.06519	5.9
109.10174	3.9
111.04446	2.5
111.08082	11.5
113.05999	2.7
115.05455	1.8
117.07018	2.0
119.04931	1.0
119.08574	21.6
120.08907	0.5
121.06537	2.5
121.10135	9.4
123.08070	3.0
123.11726	2.1
125.06038	0.7
125.09623	2.1
127.03918	2.2
127.07519	0.5
128.06230	1.1
129.07010	13.2
131.08559	14.0
133.06506	3.5
133.10129	13.3
137.05975	1.3
137.09607	2.6
137.13333	0.8
142.07764	3.4
145.04941	1.9
145.06435	0.5
145.10147	2.1
147.08043	4.5
147.11678	19.2
149.09616	8.1
157.10124	17.6
161.09688	0.5
163.06026	2.4
163.11217	0.9
165.12761	3.4
175.09657	1.2
175.11183	19.8
189.11153	0.6
193.12242	53.9
194.12630	0.6
211.13286	78.6
212.13603	1.2
229.14375	1.0
233.15256	0.6
249.14867	1.0
267.15903	46.8
268.16223	1.0
273.14822	0.8
285.16956	86.6
286.17365	2.0
361.09518	0.6
364.79553	0.5
367.22665	2.4
385.23685	4.2
403.24847	1.6
403.90253	0.5
429.21695	0.7
433.25757	3.3
441.26392	2.5
459.27374	40.6
460.27960	1.7
477.28470	36.2
478.28430	0.8
495.29507	100.0
496.29868	2.1
496.98425	0.5
532.10223	0.6
639.33606	2.8
854.36121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	3.1
65.03943	4.4
67.05502	60.5
69.03423	13.1
69.06709	2.5
69.07069	45.1
71.04980	6.8
73.02904	2.5
77.03916	1.9
77.37968	1.6
79.05042	3.3
79.05492	58.0
81.03412	13.1
81.07056	67.8
83.04985	12.9
83.08623	19.3
85.02912	7.0
85.06533	3.4
91.05480	48.1
93.07047	49.4
95.04968	21.9
95.08601	29.5
97.02898	15.6
97.06543	14.7
97.10165	22.1
99.04442	1.9
99.08086	2.6
102.33959	1.6
103.05450	2.0
104.65482	1.5
105.04513	2.6
105.07035	41.9
107.04940	13.8
107.08590	38.8
109.06506	6.9
109.10151	21.2
109.26272	1.3
109.29958	1.5
111.04421	2.6
111.08055	6.7
115.05460	2.9
117.07012	15.2
119.04903	2.0
119.08578	27.4
121.02861	7.3
121.06504	6.0
121.10135	13.9
123.08057	6.1
123.11688	4.4
125.09628	16.5
128.06241	1.9
129.06973	7.9
131.08568	20.9
133.06493	5.3
133.09190	1.9
133.10132	28.0
135.08054	7.8
135.11684	11.3
137.09622	2.9
141.06953	1.6
142.07802	2.4
143.08559	8.6
145.10117	17.9
147.08018	5.7
147.11676	12.8
149.09605	13.9
149.13252	6.4
151.11168	6.2
153.09062	2.6
155.08580	2.7
157.10138	5.1
159.11693	12.5
161.09634	5.5
161.13235	4.1
163.11174	7.4
163.92229	1.4
169.10101	3.5
169.12265	1.7
171.11610	3.0
173.04523	2.2
173.09587	2.9
173.13258	3.5
175.11194	4.6
177.12752	4.3
183.11720	1.5
185.13333	1.9
189.11192	7.2
189.12758	3.0
193.12294	2.3
195.13873	3.1
197.13229	2.0
205.12062	1.6
213.16553	1.5
217.15726	1.6
223.13283	20.9
227.12761	21.6
227.40469	1.4
229.14366	1.7
229.19618	1.9
232.86267	1.7
239.17946	3.0
245.18906	3.4
247.20499	1.8
249.14943	2.9
253.14354	14.4
255.15965	5.5
257.18961	6.7
263.20117	1.9
267.15970	2.7
269.17505	15.4
273.18488	19.8
275.20053	26.4
291.19534	100.0
331.22501	2.1
347.22083	4.8
349.23691	22.5
365.23248	51.7
423.23679	2.5
461.29208	2.4
469.33588	2.3
516.14435	1.7
535.32153	2.4
541.34967	3.7
545.34808	16.3
553.38892	1.8
559.36273	47.9
560.36438	2.7
621.41107	2.8
639.32745	2.2
639.42584	32.2
657.43481	4.1
703.39880	2.0
815.13031	1.7
854.46051	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	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05164	1.6
60.37819	1.5
61.02935	5.9
65.03942	3.7
65.20774	1.5
67.05507	90.4
68.05851	2.0
69.03430	16.4
69.07071	51.4
71.05000	7.6
73.02921	5.1
77.03931	3.2
79.05495	64.8
81.03421	18.2
81.07059	91.9
83.04986	17.4
83.08625	19.4
85.02905	10.7
85.06540	4.2
90.07597	1.7
91.03987	3.5
91.05483	69.6
93.07046	69.8
95.04972	21.8
95.08609	40.7
97.02895	17.1
97.06529	19.2
97.07017	1.7
97.10169	14.5
99.04470	3.1
99.08118	4.2
101.02390	2.0
103.05495	2.1
105.04538	4.2
105.07030	55.6
107.04971	16.1
107.08597	49.6
109.02917	1.8
109.06518	10.5
109.10163	34.4
111.08084	8.2
113.09706	2.6
116.06245	1.6
117.07024	21.2
117.07696	2.0
119.04954	1.9
119.08587	33.5
121.02885	2.1
121.06522	10.9
121.10149	19.9
123.08054	9.1
123.11710	8.9
125.09636	14.2
127.03920	3.0
127.07613	3.0
128.06284	4.4
129.07004	10.9
130.07802	2.8
131.04915	2.0
131.08580	28.7
132.72786	1.7
133.06519	5.7
133.10130	53.1
135.08060	10.4
135.11673	13.3
137.09653	5.3
139.11240	2.2
141.06990	3.0
142.07816	2.5
143.08537	11.3
145.06575	3.6
145.10135	20.9
147.08102	7.4
147.11691	11.9
149.09615	15.9
149.13254	10.5
151.11177	15.7
157.10168	6.1
159.07957	2.2
159.11670	12.0
161.09656	7.1
161.13329	6.5
163.11189	11.1
165.09195	3.6
169.10181	2.6
169.12273	2.5
171.10349	2.0
171.11749	7.1
173.09692	2.6
173.13338	6.7
175.11188	6.0
177.12842	5.6
183.06555	1.7
183.11665	3.8
185.13309	4.1
189.11333	4.3
195.11928	2.0
195.13831	6.9
196.36946	1.7
199.11211	1.8
201.12671	1.9
215.12831	1.9
223.13260	15.9
227.12799	8.6
231.17755	1.8
233.15602	2.0
245.19154	5.1
249.14897	3.0
253.14334	39.0
255.15854	8.7
257.18958	10.0
259.20633	2.5
263.20303	1.9
267.15939	3.7
269.17517	28.4
271.15588	3.6
273.18463	26.2
275.20044	23.3
289.18243	2.6
291.19543	100.0
293.21051	2.7
309.20639	1.9
331.22815	3.1
347.22263	6.6
349.23715	19.3
365.18726	2.7
365.23239	48.1
365.27509	3.3
367.24701	4.7
388.71829	1.9
405.13882	2.0
406.14096	2.0
414.17908	2.2
461.28726	2.6
465.28589	5.8
520.29681	3.7
527.34369	2.1
541.35205	7.0
545.34644	23.2
557.34772	2.1
559.36310	78.2
560.36627	3.4
573.50110	2.1
576.24194	2.2
621.41626	4.4
639.42462	27.4
639.59930	2.1
653.20227	1.9
657.43750	6.5
682.35339	3.8
854.45782	63.2
855.44739	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	854.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03766	1.0
61.02927	1.7
65.03937	3.9
67.05507	70.9
68.99810	1.2
69.03430	8.0
69.06712	1.9
69.07071	28.6
70.59091	1.5
71.01366	1.2
71.05009	8.5
71.08637	4.3
73.02898	1.0
75.84184	1.1
77.03909	1.4
79.05498	51.3
81.03420	12.4
81.07059	78.8
82.07404	1.3
83.04990	13.3
83.08626	12.5
85.02902	2.7
85.06555	5.5
85.10189	1.8
87.04459	3.1
89.06017	9.1
90.72280	1.1
91.05483	67.2
93.07049	56.5
95.04974	17.1
95.08608	29.0
97.02900	4.1
97.06536	10.6
97.10190	4.0
99.04447	3.2
99.08078	2.2
103.05482	3.0
105.04517	3.1
105.07031	59.5
107.04958	14.3
107.08598	43.5
109.02867	1.7
109.06525	9.9
109.10162	43.9
111.04461	1.3
111.08092	5.1
113.05998	2.1
113.09599	1.3
115.05427	2.4
117.07018	16.7
119.08589	24.2
121.06523	10.3
121.10141	14.4
123.04417	1.7
123.08088	5.3
123.11726	9.4
125.09629	4.0
127.03918	1.3
127.07566	2.3
128.06207	2.2
129.05464	1.3
129.07016	6.4
131.07059	1.7
131.08577	22.7
133.06485	4.3
133.08662	7.5
133.10133	65.8
135.08054	9.7
135.11685	12.0
137.09605	3.6
141.06993	1.4
143.08562	6.5
145.06505	1.7
145.10136	16.3
147.08049	4.8
147.11681	10.8
149.09612	15.1
149.13272	5.4
151.11179	30.7
152.05676	12.4
153.04117	1.3
155.08604	2.5
157.10135	5.9
159.11673	9.6
161.09618	6.9
161.13252	4.2
163.11195	8.8
165.12717	2.3
167.08548	1.1
168.71121	1.0
169.10107	2.9
169.12199	4.8
171.11662	6.4
173.09572	1.3
173.13278	4.5
174.13599	1.1
175.09764	1.2
175.11217	3.0
177.09123	1.7
177.11223	2.7
177.12773	3.5
179.10612	2.4
179.14345	2.4
181.10133	1.0
181.12196	1.3
183.11676	1.8
185.13307	2.4
187.11156	2.8
187.14864	1.7
189.11214	1.3
189.12758	2.6
191.10670	1.4
193.12302	1.5
195.12032	1.0
195.13802	3.6
197.13293	2.2
207.13754	1.3
213.12837	1.1
214.13318	1.0
215.12805	5.0
227.12798	5.7
227.18015	1.7
229.19498	1.9
239.17999	2.9
245.18944	3.9
247.20488	2.4
251.12711	3.1
253.14362	100.0
254.14766	1.6
255.15848	3.4
257.19037	7.3
263.19995	2.0
267.15997	1.9
269.17468	15.3
271.15457	3.0
273.18546	22.8
275.20074	25.9
289.22107	1.0
291.19583	23.5
291.23047	2.9
293.21088	1.9
309.20541	2.9
335.25760	1.4
347.22208	8.2
349.23740	18.9
365.23254	26.0
413.21609	1.4
423.23923	1.7
447.27539	5.2
451.26880	3.1
464.70386	1.2
465.28546	9.1
479.30414	1.3
527.33716	5.0
541.35046	8.5
545.27228	1.4
545.34711	20.2
546.34637	1.6
559.36359	38.7
560.36444	1.8
609.32428	1.5
621.40863	4.0
639.42499	17.9
657.43054	4.3
692.45300	2.4
854.44659	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	6.6
65.15720	2.4
67.05161	4.0
67.05508	68.3
69.03440	3.4
69.07056	15.6
70.06590	3.1
71.04977	4.5
79.05495	49.2
81.03438	11.2
81.07063	57.9
82.33569	2.0
83.04993	5.7
83.08607	9.7
85.02916	3.7
85.06550	12.8
91.05483	45.2
93.07048	47.6
95.04974	69.1
95.08601	27.7
97.06539	13.8
97.10156	5.8
105.07029	37.3
107.04975	13.3
107.08591	33.9
109.06525	60.5
109.10182	11.7
111.08098	4.0
113.06005	21.9
115.05424	2.8
117.07020	21.2
119.08567	25.0
121.06484	6.8
121.10130	12.5
123.04389	2.5
123.08055	5.6
125.09644	6.3
127.03909	2.8
128.06221	3.3
129.07027	12.9
130.07761	2.6
131.08563	28.8
133.06496	2.5
133.10147	18.2
135.08069	44.2
135.11702	13.7
137.05986	2.5
137.09648	3.2
137.26215	2.1
141.06952	3.5
143.08598	11.1
145.06494	2.7
145.10127	14.9
147.08052	8.3
147.11691	7.9
147.85301	2.1
149.09621	12.4
149.13324	5.9
157.10143	9.8
159.08084	4.7
159.11732	14.8
161.09607	11.9
161.13219	3.1
163.11176	9.9
169.10167	2.9
171.11749	5.8
173.13257	4.9
175.11197	4.8
177.12761	2.9
185.13234	3.4
187.11266	2.3
189.12672	2.8
195.13791	3.5
199.14825	5.4
217.15863	15.5
227.12723	7.4
235.30548	2.5
251.16389	4.5
255.15703	5.6
257.19025	6.8
267.15924	2.9
269.17511	16.5
273.18506	33.9
275.20007	14.1
279.15961	2.3
291.19562	100.0
310.62704	2.8
343.85757	2.2
347.22162	13.9
349.23712	21.3
365.23254	20.6
367.24765	4.6
541.35248	9.7
545.34680	10.7
559.36401	42.0
621.41626	13.4
626.58093	2.8
639.42609	28.3
657.43567	6.0
676.07141	2.6
754.20160	2.4
854.43762	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	855.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05296	0.3
67.05671	0.4
69.03220	0.5
69.03616	0.8
69.28410	0.9
71.05143	0.3
74.85368	0.2
79.05680	0.4
80.04732	0.4
80.05206	0.5
81.07229	0.3
83.01080	0.2
83.01498	0.3
85.06278	0.3
85.06725	0.3
91.05141	0.4
91.05708	0.5
93.06767	0.2
93.07246	0.4
94.06218	0.2
94.06756	0.3
95.05160	0.4
95.08763	0.2
97.06679	0.2
105.07287	0.5
106.06809	1.1
111.04654	0.3
112.07155	0.2
112.07821	0.3
115.05658	0.2
117.07236	0.4
119.05154	0.2
120.08304	0.3
121.06712	0.3
122.06282	0.3
122.09867	0.3
124.07775	0.2
125.02545	0.2
126.09429	0.8
128.06491	0.3
129.07274	0.5
130.06752	0.3
133.06720	0.2
134.09856	0.5
136.11433	0.3
137.06192	0.3
139.04143	0.4
143.08879	0.5
145.06773	0.6
146.09903	0.2
147.08243	0.2
148.11415	0.2
150.09322	0.3
152.09758	0.3
152.11009	0.6
153.01009	0.2
153.02127	0.6
153.05754	0.5
154.12567	1.2
155.08727	0.4
157.10403	0.3
159.08243	0.4
161.06163	0.3
162.09451	0.2
165.05777	0.5
165.07271	0.2
168.10448	0.2
170.11960	0.2
171.08351	0.5
172.11456	0.4
175.07849	0.2
176.08652	0.2
177.09390	0.3
179.07372	0.2
183.06850	0.2
183.08353	0.5
185.06255	0.2
185.09926	0.4
189.05817	0.2
191.07178	0.2
193.05052	0.9
199.07831	0.3
200.10988	0.2
201.09431	0.3
203.07393	0.3
213.09305	0.3
218.12038	0.3
219.06799	0.5
236.13078	0.3
241.08824	0.2
245.08070	1.1
247.09766	0.2
250.18251	0.2
271.10114	0.3
277.11032	0.6
279.08932	0.6
289.10672	0.9
291.12280	1.0
311.40860	0.2
329.56665	0.2
353.14322	0.2
381.58981	0.2
400.17538	0.3
402.19104	0.2
418.18530	1.6
420.20187	39.6
421.20697	1.1
436.19647	100.0
437.19888	2.2
518.41315	0.2
686.64301	0.2
781.74414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46747	1.4
69.70537	0.4
70.06584	0.8
98.23407	0.9
98.47544	0.4
142.49142	0.3
164.65269	0.3
200.84412	0.4
235.84673	0.3
246.76408	0.4
334.63950	0.4
396.21475	11.0
416.20822	0.7
418.21967	0.8
419.22421	0.6
420.17776	1.7
423.16681	0.5
436.23434	0.7
437.23767	0.9
438.18872	100.0
439.19144	16.4
440.20358	85.8
441.20654	2.3
450.24539	0.5
458.21872	2.4
481.23120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.7
68.05034	0.5
69.03431	2.4
69.07046	0.3
70.06595	1.8
71.04996	2.1
79.05497	0.8
80.05038	1.4
81.07059	0.6
82.06596	0.6
83.01336	0.7
83.07339	0.4
84.08149	1.5
85.06557	0.5
86.06075	0.5
91.05469	0.6
93.07052	0.8
94.06574	1.2
95.04957	0.6
95.08626	1.8
96.08141	1.2
97.02897	0.3
97.06532	0.6
97.08921	0.7
98.06071	0.6
99.04453	1.0
105.07015	0.8
106.06569	0.5
107.05003	0.4
107.08584	0.7
108.08100	0.8
110.06087	0.3
110.09682	0.7
111.08080	6.1
113.09632	0.3
115.03946	0.6
117.06954	0.3
119.08594	0.8
120.08125	0.4
121.06509	0.7
122.09685	3.4
123.08054	0.5
124.11228	1.2
124.77242	0.3
125.05991	0.7
126.09142	0.3
127.03932	1.4
127.09948	0.3
129.05489	1.4
131.08575	0.3
134.09659	1.2
135.08054	0.3
136.11218	4.3
137.05920	0.3
137.09666	0.5
138.09155	0.3
138.12782	0.8
139.07553	1.0
140.07088	0.4
145.10181	0.3
147.08070	0.4
147.11714	0.4
148.11247	0.4
149.09619	0.3
150.09148	2.8
151.03937	0.3
152.10689	1.7
154.12288	0.5
155.03409	0.3
155.07042	1.2
160.11235	0.5
161.09653	0.3
162.09164	0.5
162.12814	1.1
164.10779	0.6
164.14359	2.6
165.05435	0.6
167.07060	1.3
168.10165	2.1
170.11771	0.9
173.09622	0.3
175.11211	0.5
176.14351	0.4
178.15921	0.4
180.10233	0.9
180.13832	0.5
181.08524	0.3
182.11765	7.1
182.15312	0.4
183.06522	1.8
190.12297	0.3
190.15941	0.5
194.11778	3.9
204.13831	0.5
206.11903	0.3
208.13194	1.4
208.17004	0.4
216.13651	0.4
222.14821	0.4
232.16956	0.5
234.14958	2.8
235.15393	0.3
236.12836	0.4
236.16479	0.9
238.14427	0.5
250.18027	0.6
260.16550	0.4
262.17920	1.2
267.12326	0.3
278.17465	1.6
280.18985	0.6
290.17551	0.5
308.18567	8.0
318.16891	0.6
318.20398	0.3
336.18008	0.5
338.19614	0.6
344.18625	0.3
348.18182	0.4
360.18005	0.6
362.19724	0.4
378.22894	0.6
392.24615	0.3
404.20593	0.7
416.20761	3.0
417.20871	0.8
418.22235	7.6
420.20184	11.2
421.20483	1.2
422.21722	42.0
423.22064	1.0
434.21756	26.6
435.22110	7.7
436.23346	100.0
437.23853	2.8
768.27759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.9
65.03942	2.9
67.05508	100.0
69.03461	2.5
69.07069	18.3
69.57509	3.1
69.57912	4.6
71.01361	2.8
71.04989	5.7
73.02936	2.5
75.17914	1.7
79.03092	1.6
79.05494	47.2
81.03428	7.8
81.07062	64.1
83.04997	6.4
83.08617	13.5
85.02917	13.6
85.06527	2.7
87.04473	4.2
91.05497	24.5
93.07052	50.6
95.04975	7.2
95.08614	38.3
97.02906	5.1
97.06552	4.6
97.10173	15.9
105.07037	14.1
107.04984	2.4
107.08597	25.6
109.06516	3.8
109.10162	52.7
111.08111	4.0
117.07005	8.2
119.08594	14.0
121.10159	18.1
123.11726	3.7
125.09628	13.3
129.05482	3.8
129.07001	2.1
131.08575	8.9
133.10139	7.2
135.11696	11.8
137.09584	2.7
145.10071	9.1
147.11734	5.7
149.09677	3.1
149.13277	3.9
155.10680	4.8
159.11705	5.9
161.13261	3.6
163.11208	8.8
163.14798	2.5
173.11766	11.9
173.13271	4.0
181.12178	3.4
189.11230	2.4
199.13301	4.7
209.11751	5.5
227.12852	6.5
229.14352	40.5
243.21159	3.4
261.22076	8.7
283.15439	2.5
301.16418	13.4
335.25815	69.4
399.23743	11.3
477.35730	3.6
489.35687	15.3
561.37988	4.5
579.38831	2.4
659.44836	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04542	1.5
61.02930	2.2
65.03934	5.0
67.05507	86.8
69.03424	12.5
69.07069	47.1
69.34933	1.3
71.05006	9.2
73.02929	2.6
77.03923	3.0
79.05495	74.8
81.03419	16.9
81.07057	100.0
83.04984	16.2
83.08617	19.5
85.02910	7.8
85.06543	6.3
91.03975	1.6
91.05481	66.7
93.07049	74.8
95.04968	20.0
95.08609	44.4
97.02882	4.9
97.06535	22.8
97.10168	12.0
99.04471	2.8
99.08097	5.2
103.05479	2.7
105.04510	5.0
105.06345	3.1
105.07034	52.1
107.04948	13.9
107.08595	47.7
107.09348	1.8
109.02906	1.8
109.06519	11.1
109.10169	18.8
111.04434	2.8
111.08083	7.2
113.05933	1.8
115.05453	3.3
117.07025	28.4
119.04917	1.7
119.08585	37.8
121.02057	1.4
121.02872	35.8
121.03815	2.6
121.06487	8.4
121.10145	21.9
123.08089	6.1
123.11722	6.2
125.09637	9.9
127.03918	5.4
128.06271	1.3
129.05518	1.7
129.06995	11.6
130.07727	1.5
131.08574	30.8
133.06487	4.5
133.10135	33.5
135.08047	8.6
135.11697	21.3
137.09599	5.4
141.06999	4.7
142.07736	1.9
143.08574	6.9
144.09282	1.8
145.06445	3.6
145.10124	22.5
147.08055	2.6
147.11679	17.0
149.09641	19.2
149.13245	15.3
151.11229	2.7
153.09019	1.8
155.08577	5.7
157.10133	9.9
159.08066	2.4
159.11703	19.3
161.09596	2.6
161.13252	5.1
163.11191	13.4
165.12808	2.1
167.08583	1.6
169.10146	5.7
171.08022	1.7
171.10345	2.0
171.11679	7.7
173.04468	2.9
173.13281	8.7
175.11174	3.3
175.14845	2.8
177.12827	6.5
179.14297	3.7
181.10152	3.2
183.11713	5.7
185.13228	2.2
187.11046	3.2
187.14827	2.7
189.11197	3.9
189.12746	2.6
191.07036	5.9
195.13838	9.1
197.13310	3.8
199.14905	1.8
209.13397	1.6
211.14996	2.1
212.66983	1.2
227.12799	7.6
229.19632	3.0
239.17961	5.9
247.20499	4.2
251.16513	2.4
255.15936	15.3
257.19046	11.1
267.15784	2.6
269.17477	49.9
275.17047	2.1
275.20074	42.3
291.19641	3.0
292.19910	1.6
293.21036	3.0
313.21445	1.8
318.30093	6.0
329.10529	2.1
331.22726	3.8
349.23761	38.9
367.24756	7.9
389.26877	1.4
413.21799	1.7
423.27448	1.5
431.27277	1.9
433.30774	2.4
435.27383	4.6
445.29510	2.5
449.29001	27.9
451.32159	2.2
463.30551	40.4
503.33942	1.7
515.36902	2.1
525.35748	6.9
529.35272	8.9
543.36865	40.7
547.36243	1.9
561.37836	6.5
607.34772	3.0
623.42773	5.6
641.43207	4.9
659.45508	2.2
857.46289	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	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65193	2.8
60.24190	2.2
61.02923	3.6
65.03940	6.4
67.05506	100.0
67.05870	5.3
69.03431	15.6
69.07069	40.3
70.45540	2.4
71.04992	6.9
73.02914	3.0
77.03919	2.9
78.37574	2.5
79.05497	97.5
81.03417	17.6
81.07057	95.9
83.04996	16.6
83.08615	35.6
85.02920	7.0
85.06555	8.0
87.04485	5.9
91.05482	77.2
92.98615	2.4
93.07047	74.5
95.04961	23.3
95.08607	45.5
97.02904	8.1
97.06536	23.3
97.10172	52.9
99.08099	2.4
101.56858	2.2
105.04529	6.2
105.07035	67.4
107.04940	14.8
107.08598	90.7
109.02888	4.1
109.06516	15.9
109.10149	31.6
109.69280	2.5
111.04451	2.8
111.08096	10.2
113.06000	5.4
113.09635	3.2
115.05445	4.2
117.07006	25.2
119.08589	46.4
121.06481	6.8
121.10147	23.6
123.08054	4.7
123.11696	8.0
125.09634	57.6
125.10521	4.7
127.03889	3.3
127.07569	2.7
128.06236	4.3
129.07016	9.2
130.07779	3.5
131.08562	29.1
133.10143	47.9
135.08038	12.3
135.11705	13.8
137.09610	2.6
141.06921	2.7
143.08591	14.8
145.10129	31.5
147.08051	3.3
147.11687	23.7
149.09631	22.9
149.13261	5.5
151.11163	3.6
153.09138	3.9
155.08560	7.2
157.10158	11.8
159.11700	27.8
161.09657	3.9
161.13295	6.8
163.11176	14.5
165.12689	2.8
167.08540	3.0
169.10115	10.3
171.10173	8.2
171.11676	9.2
173.09644	4.1
173.11826	5.2
173.13300	9.1
175.11183	3.8
177.12773	6.4
179.14291	5.8
181.10072	3.3
183.11702	7.1
185.13278	5.1
187.11362	2.9
187.14859	3.2
189.11243	30.6
189.12807	3.8
197.13284	7.2
199.11154	2.3
217.15837	3.2
227.12766	91.7
229.14325	8.1
229.19548	4.8
239.17996	5.8
245.13898	8.4
253.18143	2.8
255.15948	8.4
257.18927	20.4
259.20383	3.4
269.17438	23.9
273.18533	5.0
275.17053	4.5
275.20065	85.4
291.19601	7.2
292.19785	4.6
293.21109	5.3
331.22559	8.1
347.21957	3.7
349.23755	84.2
365.23209	2.8
367.24939	5.6
389.18344	3.7
397.22244	6.3
425.25348	4.3
425.79819	2.7
433.30905	3.5
439.26819	5.8
501.32172	3.1
513.37054	2.7
519.33087	13.3
525.35724	5.6
529.35107	22.3
543.36829	66.4
550.55591	2.8
561.37665	3.8
583.30908	4.0
597.40625	3.2
605.41980	4.7
623.33606	4.4
623.43121	48.1
641.43982	20.7
686.34174	3.6
783.12848	2.9
856.45032	54.1
857.45862	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	4.0
65.03938	7.4
67.05507	97.6
69.03426	21.1
69.07065	56.6
69.07405	6.6
71.04986	15.0
73.02908	5.8
74.54520	3.1
77.03923	5.0
79.05493	93.0
81.03432	19.4
81.07060	100.0
83.04990	17.7
83.08628	22.9
85.02921	11.2
85.06554	8.5
86.09723	3.6
91.05482	86.1
93.07049	88.3
95.04967	26.4
95.08619	52.9
97.02895	14.5
97.06532	51.3
97.10172	19.6
99.04426	5.0
103.05418	4.0
105.04517	9.4
105.07030	74.6
107.04987	20.8
107.08601	53.2
109.02836	3.9
109.06538	18.1
109.10164	30.8
111.04482	4.8
111.08077	9.4
113.06026	4.5
115.05457	5.0
115.07563	15.6
117.07015	33.6
119.06084	4.3
119.08584	58.0
121.02868	6.3
121.06512	12.9
121.10143	26.2
123.08054	5.2
125.09650	14.6
127.03916	5.8
128.06250	7.7
129.05466	4.8
129.07037	21.0
130.07838	5.0
131.08578	37.1
133.06485	4.8
133.10130	39.9
135.08083	13.1
135.11703	17.3
137.09634	8.1
141.07031	6.8
143.08575	15.2
145.10147	39.5
147.07980	6.0
147.11691	23.5
149.09578	18.4
149.13275	12.1
151.11143	4.6
153.09267	4.9
155.08585	12.6
157.10143	16.7
159.08087	7.7
159.11732	25.5
161.09633	5.9
161.13321	7.1
163.11200	10.9
165.12849	3.8
169.10201	12.0
171.11703	17.7
173.09702	5.1
173.13290	9.1
175.11127	5.1
177.12781	6.3
181.08586	4.5
181.10109	7.2
183.11707	10.9
185.13280	8.4
189.11162	6.5
193.10068	4.7
195.11594	4.2
195.13797	5.2
197.13303	10.1
199.14803	6.7
201.16438	5.7
209.08136	11.6
209.13359	5.5
211.14774	5.4
217.15939	5.9
221.13087	4.7
227.12715	18.1
239.17967	5.9
247.20465	3.7
252.19540	5.4
255.15627	4.8
257.19022	16.2
259.20712	8.2
263.61398	3.8
267.15784	5.3
269.17404	20.3
273.18478	7.9
275.20078	46.1
291.19492	9.0
293.21176	8.3
318.29901	5.1
331.22623	4.8
333.24164	15.7
347.22409	5.8
349.23776	40.9
367.24808	9.0
383.24655	4.0
400.33041	3.7
449.29025	8.5
463.30792	6.7
527.37140	9.2
529.34894	10.1
543.36774	21.1
605.41449	5.9
623.43463	23.7
641.44281	21.0
856.42487	5.0
857.46039	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.0
65.03938	5.0
67.05505	90.1
69.03429	13.2
69.07068	48.3
69.07451	2.5
69.25832	5.1
71.01381	1.8
71.04993	9.0
73.02911	3.1
73.06569	1.1
77.03947	2.2
79.05496	76.6
79.10941	1.1
81.03419	15.1
81.07058	100.0
83.04984	14.9
83.08621	22.5
84.83007	1.0
85.02908	6.6
85.06542	5.3
91.03957	2.1
91.05480	68.4
93.03388	1.3
93.07044	71.6
95.04977	18.2
95.08604	44.9
97.02895	6.2
97.06534	22.1
97.10172	22.7
99.04417	1.7
99.08112	4.0
102.56586	1.1
103.05471	2.3
105.04517	5.2
105.07028	61.6
107.04972	14.2
107.08595	56.8
109.02913	3.2
109.06520	9.9
109.10160	20.5
111.04450	2.0
111.08075	9.0
113.06015	2.0
113.09635	2.3
115.05444	5.4
116.06215	1.6
117.07017	24.7
119.08585	41.7
121.06519	10.1
121.10146	22.6
121.10984	1.6
123.08073	6.0
123.11691	6.7
125.09628	19.2
127.03925	4.5
128.06259	3.5
129.05490	3.0
129.07004	12.0
130.07814	3.0
131.08563	34.0
133.06509	2.5
133.10138	33.0
135.08040	9.3
135.11694	19.5
137.09601	4.0
139.11218	2.5
141.06992	4.6
142.07751	2.4
143.08560	9.5
144.09343	1.7
145.06479	2.5
145.10117	29.9
147.08031	3.5
147.11682	21.6
149.09624	26.6
149.13257	12.5
151.11166	3.8
153.09123	2.4
155.08553	6.4
157.10135	10.3
159.08102	2.4
159.11694	23.7
161.09645	3.8
161.13263	9.2
163.11176	13.0
165.12831	1.2
167.08585	2.3
169.10124	6.5
171.10280	2.6
171.11714	8.9
173.04453	3.3
173.09709	2.1
173.13258	8.3
175.11191	3.9
177.12726	6.2
179.14323	5.5
181.10170	1.3
181.12228	1.8
183.11719	6.8
185.13263	2.7
187.11185	2.9
187.14809	2.5
189.11223	8.5
189.12730	2.1
191.14218	1.6
195.11862	2.2
195.13826	6.3
196.12480	1.2
197.13271	5.0
199.14853	1.3
201.12784	1.5
205.12276	1.7
209.13266	1.3
211.14816	2.4
212.16237	1.2
213.16461	1.7
215.18040	1.9
227.06836	1.5
227.12752	24.1
228.21022	1.2
229.14369	3.3
229.19524	4.0
239.17986	5.2
245.13878	2.5
245.18849	1.3
247.20560	4.0
253.17967	2.5
255.15857	11.1
257.19012	19.2
267.15860	3.3
269.17441	29.2
275.20071	64.8
279.15909	1.7
291.19595	1.4
293.17993	1.4
293.21213	5.0
310.77087	1.1
315.23160	1.5
321.24490	1.5
331.22516	3.5
349.23734	60.3
365.23395	2.1
367.24762	7.1
389.26929	1.3
413.21707	1.7
423.27411	1.4
431.27914	3.7
433.30695	2.4
439.26813	2.5
445.29306	2.3
447.31171	2.5
449.28973	12.5
451.31784	1.9
463.30542	12.4
469.33447	1.5
503.33560	3.0
519.33228	4.6
525.35687	5.2
527.37311	2.6
529.35327	13.9
535.36029	1.2
543.36804	47.7
544.37750	2.3
559.36969	1.5
561.37872	6.5
605.41425	2.0
607.33942	1.3
623.22815	1.2
623.42981	17.0
641.43774	5.3
687.40784	1.6
857.46991	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	856.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05459	0.3
69.03429	2.0
69.07050	0.2
70.06548	0.3
70.69044	0.2
70.69392	0.2
70.98727	0.1
79.05428	0.6
79.05837	0.1
80.04177	0.1
80.04996	0.2
81.07007	0.4
82.06512	0.5
83.01305	0.3
83.04908	0.3
83.07301	0.4
83.08633	1.2
84.08109	0.2
85.02837	0.2
91.05412	0.6
93.06980	0.5
95.04917	0.3
95.08571	0.2
96.08137	2.2
97.06478	0.2
98.05981	0.2
98.09648	0.5
98.26550	0.2
100.07556	0.4
100.11260	8.5
100.11909	0.4
105.06968	0.7
107.07270	0.1
107.08532	0.3
108.08058	0.2
109.06505	0.2
110.05936	0.2
111.04362	0.6
112.11231	0.2
117.06962	0.5
117.13801	0.2
119.04916	0.2
119.08558	0.3
120.08023	0.5
121.06468	0.4
121.10179	0.2
122.09638	0.2
123.08018	0.1
125.02312	0.2
126.09120	0.2
127.08606	0.2
128.07037	0.7
128.10661	0.6
129.06944	0.6
131.08510	0.3
133.06433	0.2
134.09566	0.2
135.04305	0.3
136.11237	1.3
137.05963	0.2
138.09076	0.3
138.12784	6.3
139.03874	0.3
139.08586	0.6
140.06995	0.5
140.10675	0.3
142.07753	0.3
142.12265	0.2
143.08492	0.3
145.06396	0.5
145.10046	0.2
147.08025	0.2
147.87453	0.2
149.05948	0.2
151.03775	0.2
152.10660	0.4
153.01755	0.6
153.05370	0.4
154.12135	0.4
155.08481	0.2
157.10066	0.3
159.08002	0.4
162.09200	0.3
162.12714	0.2
164.10635	0.4
164.14326	0.3
165.05423	0.5
167.07051	0.2
167.08488	0.2
171.07944	0.2
173.05933	0.4
173.63538	0.1
175.07487	0.4
176.10580	0.3
176.14336	1.4
177.09038	0.6
179.07079	0.2
181.04933	0.2
182.15411	2.6
185.05959	0.2
185.09596	0.7
187.07458	0.3
187.11183	0.3
189.05460	0.2
191.06900	0.2
193.05063	0.3
201.09082	0.2
202.09776	0.2
203.07014	0.3
204.06474	0.2
204.13747	0.5
205.08626	0.3
205.14499	0.4
206.15338	0.3
209.16510	4.2
210.14888	3.7
213.09068	0.4
217.04999	0.3
217.12335	0.2
219.06470	0.4
223.07587	0.2
226.19104	1.2
227.10497	0.2
228.15910	0.3
231.10072	0.3
232.16936	0.2
234.18495	0.5
241.08606	0.2
245.08006	0.3
245.11734	0.3
247.09622	0.5
254.05930	0.2
255.10019	0.3
259.09634	0.2
273.11102	0.4
275.12854	0.2
276.89276	0.2
279.08661	0.3
283.09763	0.3
289.10703	0.4
291.12308	3.1
301.11594	0.2
319.12872	0.3
320.13330	0.2
326.27905	0.8
336.22729	1.0
357.17038	0.2
358.20108	0.5
376.21060	0.3
386.19806	0.7
404.20679	100.0
405.21060	2.3
435.33347	3.0
453.34375	29.6
454.34756	1.0
856.47559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.8
61.83261	3.1
65.03927	5.8
67.05509	99.2
69.03429	13.2
69.07069	45.3
70.06596	5.2
71.04996	13.6
71.08643	16.8
73.02901	4.6
75.93121	2.8
79.05494	77.4
81.03426	18.4
81.07058	100.0
83.04982	19.1
83.08620	23.5
83.19455	2.7
85.02911	6.2
85.06538	8.2
91.05485	67.5
91.06056	4.3
93.07043	86.0
93.07603	5.4
95.04981	25.4
95.08616	52.2
97.02889	9.0
97.06517	22.5
97.10162	19.9
98.22618	6.9
99.04424	3.9
99.08088	16.7
105.04482	5.0
105.07029	52.5
107.04970	8.5
107.08597	42.7
109.02895	3.0
109.06508	10.2
109.10159	19.7
111.08083	9.6
113.06013	11.2
117.07024	23.9
119.08613	32.7
121.06500	7.0
121.10155	24.5
123.04471	3.4
123.08092	6.0
123.11729	7.2
125.09592	13.5
127.03910	9.0
128.06227	3.6
129.05496	4.6
129.07019	12.4
131.08588	27.8
133.10138	29.2
135.08035	7.4
135.11693	20.9
141.07010	3.0
141.15076	2.9
143.08562	9.2
145.10124	21.8
147.08092	4.8
147.11693	17.4
149.09636	13.4
149.13246	13.7
151.11218	14.9
155.08583	7.2
155.23343	2.9
157.10120	9.5
158.40504	2.7
159.11720	16.5
161.13261	9.5
163.11185	16.0
165.12744	3.4
171.11664	7.2
173.04506	5.7
173.13278	8.5
175.14711	2.9
177.12730	6.1
179.14305	7.9
184.07320	8.1
185.13277	5.1
189.11162	6.9
193.12206	3.1
195.11821	3.3
195.13799	6.7
197.13255	3.4
227.12718	17.6
228.95763	3.4
229.14220	3.5
239.18245	3.8
241.19395	5.8
245.13728	4.2
255.15804	8.1
257.18918	4.9
267.15814	7.1
269.17419	46.1
275.20117	28.4
277.21671	19.3
279.15710	3.4
291.19376	3.6
301.02594	3.0
335.25760	8.8
349.23865	29.2
351.25339	27.8
367.24887	5.3
413.21478	4.3
418.32431	2.9
426.65707	2.9
431.27798	4.3
449.28778	19.1
463.30606	33.1
527.37115	6.7
529.38776	7.5
531.36444	6.7
543.37024	24.0
543.83624	3.3
545.38263	31.7
547.29089	3.9
549.26758	6.0
561.37762	4.2
607.43744	3.3
625.44598	14.7
643.44855	10.7
649.73462	3.3
858.46533	34.8
859.47943	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	859.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36802	0.2
69.03410	0.8
69.93614	0.5
71.04961	0.2
79.05484	0.4
83.01301	0.3
91.05469	0.3
97.06522	0.4
99.04471	0.3
105.07011	0.2
106.06532	0.2
106.95617	0.2
107.04913	0.5
108.08078	0.3
115.05424	0.2
117.06973	0.2
119.04926	0.4
120.08099	0.3
121.06562	0.2
124.07594	0.2
125.05982	1.4
129.06927	0.2
130.06532	0.3
131.04828	0.4
132.08060	0.4
134.05925	0.2
134.09647	0.2
144.08084	0.5
146.05978	0.3
146.09627	0.5
147.06737	0.4
148.07561	0.7
148.11221	1.9
150.09097	0.8
155.08459	0.3
156.08115	0.4
158.09602	0.7
158.10829	0.2
160.07567	0.3
160.11253	0.2
162.09135	1.7
169.72795	0.2
170.09637	0.3
171.06760	0.3
172.07477	0.4
172.11208	1.3
174.09120	3.3
175.09932	5.3
176.10732	1.6
179.16402	0.2
182.09738	0.5
186.09082	1.1
188.10663	0.8
198.09021	0.3
200.10677	3.4
200.14314	0.2
201.11447	0.5
204.10202	2.1
205.10999	0.3
210.12740	0.4
212.10706	0.3
214.08615	0.7
216.10132	0.2
218.11723	0.6
228.10103	0.3
228.13835	1.6
230.11691	0.3
232.13293	0.3
238.12242	0.4
244.13400	0.5
246.11330	0.3
246.14870	2.1
254.11717	0.4
256.13315	3.4
258.14664	0.2
272.12735	0.3
274.14365	87.8
275.14676	1.9
276.15857	0.5
286.14246	0.4
287.15219	0.2
288.12320	0.7
288.15897	0.4
302.13858	70.1
303.14429	4.0
326.17535	0.3
370.16348	0.2
384.18127	0.5
397.95465	0.2
402.19199	0.7
412.17703	1.1
430.18597	100.0
431.18939	3.3
778.27985	0.3
859.32349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.0
67.05506	2.2
69.03435	3.5
69.07092	1.2
71.01368	0.9
71.04996	0.8
73.02917	4.2
76.09100	0.4
79.05510	1.7
81.03420	5.7
81.07050	2.0
82.15028	0.4
83.05006	1.0
83.08644	1.5
85.02904	9.0
87.04499	0.6
89.73936	0.4
91.03972	4.1
91.05458	3.5
93.07014	1.8
95.04964	2.9
95.08630	1.3
97.02893	6.6
97.03469	0.4
97.06509	0.5
99.04478	1.3
101.02412	2.7
103.03970	0.9
105.07032	2.3
107.04945	0.6
107.08636	0.8
109.02926	1.4
109.06522	0.7
109.10233	0.7
111.04469	0.6
111.08125	1.1
115.04001	0.5
119.08560	2.0
121.10182	0.8
123.08134	0.5
127.03924	2.4
129.07053	0.8
131.08604	1.2
133.10176	1.7
137.05904	0.7
140.10521	0.4
142.07848	0.6
145.05038	0.6
145.10114	0.4
147.08119	0.5
147.11748	1.8
149.09679	0.9
157.10188	1.5
159.08096	0.5
175.11238	1.8
185.04347	0.6
185.07101	0.4
193.12215	2.9
203.05315	0.7
211.13274	1.8
243.08391	2.6
251.12570	1.2
264.24420	0.4
267.16058	0.4
285.16937	0.9
307.15210	1.5
336.27237	0.4
347.09430	3.3
363.08795	0.7
365.10709	1.3
388.21271	1.2
405.13574	5.9
443.54660	0.4
463.15363	0.5
469.20435	17.4
517.28271	0.5
607.38232	0.4
631.25647	13.1
637.42072	0.5
697.33990	3.5
859.39227	100.0
860.39764	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	859.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.7
67.05517	1.2
71.42365	1.0
79.05515	0.7
81.03404	1.0
81.07041	1.1
89.51646	0.7
97.52348	0.8
106.12597	0.7
107.08589	0.8
109.10168	0.8
124.10174	0.6
147.08195	0.9
184.07341	1.6
212.77846	0.7
219.92888	0.7
229.14294	0.9
339.15720	0.8
360.38583	0.8
395.93939	0.7
401.15820	1.2
413.17847	1.3
431.98972	0.7
443.16870	3.0
517.20300	1.2
527.25812	1.0
532.19189	0.8
545.19659	3.4
585.28558	4.0
589.22253	2.8
589.36908	0.7
629.29327	1.6
631.27582	1.1
671.32574	1.1
687.30206	0.9
689.31451	100.0
690.31262	3.7
717.34174	4.3
745.33392	2.5
859.40131	27.7
860.40942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4819
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02933	2.6
64.36419	0.4
67.05506	6.1
68.05854	0.5
69.03423	2.9
69.07073	3.7
69.20784	1.7
69.21195	0.7
70.28863	0.3
71.04991	0.6
71.08635	0.6
73.02925	2.0
79.05493	3.9
81.03407	2.2
81.07056	5.8
81.07504	0.5
83.04997	1.2
83.08630	1.5
85.02908	3.0
91.03979	1.9
91.05478	3.1
92.05834	0.4
93.07046	3.8
95.04948	1.8
95.08624	2.6
97.02900	3.3
97.06564	1.1
97.10201	1.9
99.04457	0.5
99.08115	0.7
101.02402	1.1
101.29989	0.4
105.07061	2.9
107.05016	0.5
107.08594	3.2
108.56968	0.4
109.02928	0.6
109.06558	0.9
109.10178	1.5
111.08099	0.5
117.07053	1.7
119.08615	2.2
121.10200	1.4
125.09669	1.3
127.03935	1.0
129.07028	0.6
131.08611	1.3
133.10187	1.5
135.08083	0.7
135.11736	1.3
145.10172	0.7
147.11728	0.8
149.09706	0.7
149.13255	0.6
157.10123	0.4
159.11748	0.7
163.11217	0.7
184.07431	0.6
185.04274	0.6
189.11301	0.5
203.05219	0.6
223.13420	0.5
227.12912	0.6
243.08344	3.5
269.17566	1.2
270.17932	0.8
275.20105	0.8
291.19650	1.3
301.09195	1.0
331.07510	0.4
331.18921	1.0
333.20535	1.6
335.25882	0.8
336.26254	0.5
342.01495	0.4
387.21780	0.5
389.23099	0.6
432.72821	0.4
439.19659	0.7
448.54181	0.4
453.21268	0.8
464.30966	0.4
515.26428	0.4
546.38721	0.6
549.26740	4.0
551.28271	4.9
626.72614	0.4
693.39453	0.5
743.56689	0.4
761.41003	0.5
859.48108	100.0
860.48315	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	859.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.6
63.12747	0.3
67.05501	6.3
69.03429	2.8
69.07063	3.4
69.58959	1.0
71.01381	0.6
71.05007	0.7
73.02921	2.7
79.05490	4.9
81.03426	1.9
81.07059	6.4
81.07499	0.5
82.96188	0.3
83.04997	1.3
83.08643	1.1
85.02908	3.6
88.01635	0.3
91.03945	2.1
91.05480	4.0
93.07049	4.6
95.04975	1.8
95.08605	2.8
97.02895	3.2
97.06558	0.9
97.10192	1.1
99.04488	0.9
99.08087	0.6
101.02424	1.3
103.04014	0.4
105.07018	2.8
107.04984	0.6
107.08591	3.0
109.02902	0.4
109.06550	0.9
109.10152	2.0
111.08072	0.5
113.06053	0.3
117.07056	1.0
119.08581	1.9
121.06549	0.4
121.10178	1.3
123.11726	0.4
125.09684	0.8
127.03920	0.8
129.07048	0.4
131.08615	1.4
133.06560	0.5
133.10132	2.4
135.08141	0.8
135.11711	0.8
137.09650	0.5
145.10175	0.8
147.11694	0.8
149.09627	0.4
149.13336	0.6
151.11198	0.6
159.11761	0.6
161.13376	0.3
163.11232	0.5
172.66679	0.3
173.13310	0.5
184.07448	0.3
185.04330	0.7
203.05389	0.5
223.13226	0.6
243.08392	4.1
269.17700	0.4
273.18527	0.3
277.14047	0.3
291.19583	0.7
301.08865	0.5
331.18921	2.0
333.20352	2.0
335.25912	0.5
336.26105	0.4
387.21478	0.6
389.23105	0.6
408.49011	0.3
439.19388	1.6
442.72629	0.4
453.20914	1.0
469.20419	0.8
517.38269	0.4
549.26691	5.8
551.28333	5.5
859.48059	100.0
860.48285	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	859.4822
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02931	3.5
63.75275	0.5
65.03941	0.4
67.05503	4.7
69.03440	2.5
69.07082	2.1
69.45692	0.4
71.04999	0.7
71.44891	0.5
73.02922	3.2
79.05501	3.7
81.03435	1.6
81.07059	4.2
83.04996	1.3
83.08638	1.1
85.02888	3.4
91.03981	1.4
91.05488	3.8
93.07047	2.7
95.04980	1.2
95.08604	2.8
97.02904	2.7
97.06540	0.8
97.10178	0.6
99.04464	0.8
101.02379	0.9
105.07021	2.5
107.04994	0.7
107.08623	1.9
109.00020	0.4
109.02915	0.5
109.06554	1.2
109.10187	1.5
117.07037	0.7
119.08642	1.3
121.06606	0.4
125.09592	0.4
127.03936	0.9
129.07024	0.6
131.08575	0.8
133.10181	1.8
133.81821	0.4
135.11702	0.8
145.10072	0.6
151.11276	0.4
166.76794	0.5
175.11227	0.7
184.07387	0.5
185.04358	0.6
203.05214	0.5
243.08330	2.6
273.18515	0.4
294.21066	0.5
305.40598	0.4
315.10733	0.8
331.19061	1.5
333.20508	1.7
333.54425	0.4
339.14594	0.5
387.21698	0.5
439.19073	0.6
451.19379	0.7
453.21365	1.0
524.80432	0.4
531.25800	1.8
549.26611	2.7
551.28253	5.0
623.30457	1.0
637.32837	0.5
761.40735	1.7
841.46747	4.4
859.48083	100.0
860.48785	5.0
888.74823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79695	0.3
66.67683	0.3
67.05511	0.9
69.03429	0.6
69.07085	0.5
79.05504	0.8
81.07059	0.8
86.09698	0.7
91.05445	0.4
93.07062	0.8
95.08631	0.8
97.02885	0.3
119.08605	0.4
157.80521	0.3
162.87140	0.3
170.63127	0.3
176.46439	0.3
184.07451	0.9
243.08458	0.7
243.10857	0.5
250.89819	0.3
492.00232	0.3
551.26959	0.6
567.25409	0.4
568.70605	0.3
671.49921	0.4
759.42767	0.3
843.48450	0.5
861.47705	100.0
862.47992	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	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.6
65.03973	0.4
67.05496	2.9
67.05794	0.3
69.03424	2.0
69.07060	0.9
69.69206	0.6
69.69582	0.9
71.01368	0.4
71.04990	1.1
73.02921	2.4
76.47538	0.4
77.96066	0.3
79.05499	3.9
81.03404	1.1
81.07049	3.7
81.07438	0.4
83.08591	0.4
85.02911	2.8
85.06554	0.4
91.03960	1.8
91.05475	5.1
93.07040	3.6
95.04977	1.1
95.08593	2.0
97.02884	2.5
97.06548	0.6
99.04477	0.8
101.02401	1.4
104.10758	0.9
105.07027	2.8
107.08583	1.9
109.02924	0.5
109.06541	0.6
109.10179	0.5
117.07014	1.7
119.08574	2.0
121.10157	0.7
122.71826	0.4
127.03961	0.7
128.06248	0.5
129.07043	0.9
131.08575	1.7
133.10185	1.5
143.08571	0.9
145.10159	1.0
147.11700	0.8
155.48155	0.3
157.10191	0.5
159.11710	0.6
161.13318	0.6
171.11787	0.5
183.11514	0.3
185.13304	0.7
203.05376	0.5
243.08418	1.8
247.13077	0.9
303.15842	0.6
333.20386	5.2
369.21005	0.4
388.36893	0.3
389.22928	1.0
463.23108	0.4
465.20959	7.4
542.32611	0.7
545.16003	0.4
551.28143	10.4
552.28717	0.5
732.58331	0.4
775.42517	1.4
837.71350	0.4
861.49603	100.0
862.49689	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.4
61.21933	0.8
67.05523	2.7
67.21268	0.7
69.03432	1.3
69.07086	0.9
69.84317	0.8
71.04994	1.2
71.45214	1.2
73.02922	3.0
79.05497	4.4
81.03428	0.9
81.07058	5.6
85.02915	2.5
91.03967	1.6
91.05520	2.5
93.07065	2.7
95.05036	1.3
95.08629	2.9
97.02893	2.2
101.02460	1.0
105.07030	2.7
107.08637	1.0
108.72320	0.7
119.08598	2.5
129.06987	1.0
131.08585	1.4
133.10196	0.8
143.08638	1.2
185.04329	0.8
243.08493	3.0
248.96872	1.0
272.27167	0.8
331.05862	0.9
333.20459	3.4
348.82141	0.8
389.22931	1.1
465.21039	2.0
551.28137	10.8
553.26129	0.9
559.81128	1.0
861.49634	100.0
862.49792	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.4
65.03953	0.5
67.05502	4.8
69.03429	2.6
69.07066	2.7
69.89163	0.6
71.01363	0.3
71.05011	0.6
73.02917	3.5
73.03295	0.3
77.06133	0.2
79.05492	2.9
79.05890	0.3
81.03408	1.8
81.07057	4.3
83.05005	0.8
83.08613	1.0
85.02910	3.4
85.06570	0.2
87.04471	0.4
91.03974	2.0
91.05482	2.7
93.07049	3.7
95.04970	1.5
95.08603	1.9
97.02908	3.2
97.06549	0.7
97.10249	0.3
99.04491	0.6
101.02390	1.4
103.03985	0.4
105.04571	0.3
105.07021	2.5
107.04977	0.3
107.08605	2.2
109.02914	0.6
109.06492	0.4
109.10193	0.7
111.08105	0.2
115.03983	0.3
117.07052	0.9
119.08569	1.5
121.06566	0.3
121.10159	0.7
123.08018	0.2
123.11742	0.2
125.09692	0.3
127.03943	0.9
129.05577	0.3
129.07056	0.3
131.08611	0.5
133.10153	1.1
135.11705	1.1
137.09720	0.2
145.10173	0.8
147.11728	0.8
149.13364	0.4
159.11790	0.3
163.11244	0.3
173.13310	0.3
177.12827	0.3
181.12213	0.2
184.07320	0.4
185.04251	0.8
202.00949	0.2
203.05388	0.3
243.08421	3.9
275.20074	0.3
301.09027	0.2
303.19443	0.4
333.20355	3.7
389.23145	0.9
439.19299	2.1
453.20978	2.1
465.21075	0.2
466.42517	0.2
469.20715	0.8
496.34396	0.2
551.28271	11.9
552.28754	0.6
623.30371	0.4
749.39722	0.3
861.49622	100.0
862.49896	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	863.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16698	0.2
63.59180	0.2
67.05514	1.0
68.05009	0.4
69.03429	0.9
69.07059	1.3
69.32422	0.5
69.32825	0.3
71.04979	0.3
79.05453	0.2
80.04998	0.8
81.03383	0.5
81.07062	1.0
83.08612	0.3
85.06545	0.3
91.05491	1.1
93.07030	0.7
94.06552	0.3
95.04968	0.3
95.08033	0.2
95.08607	3.7
99.04444	0.3
105.07037	2.2
106.06547	1.4
107.08624	1.0
109.10152	4.2
111.08044	0.3
117.05732	0.2
117.06989	0.2
118.06519	0.7
119.08576	9.5
120.07297	0.3
120.08105	2.9
120.08907	0.4
121.08867	0.3
121.10126	0.7
122.09657	0.5
123.08067	0.5
123.11691	0.3
124.11189	0.6
127.03916	0.9
130.06494	0.7
131.07336	0.3
131.08542	0.3
132.08067	0.3
133.05154	0.3
133.10124	10.5
134.06047	0.4
134.09570	0.3
135.11674	1.8
136.11174	0.7
137.05989	0.2
137.09615	2.1
144.08081	0.5
145.10107	0.5
146.05965	0.3
146.09634	0.3
147.06752	1.2
147.07822	0.2
147.11665	2.6
148.06465	0.3
148.07573	4.1
148.08749	0.3
149.08333	0.2
149.13251	0.7
151.03987	0.2
151.14830	0.8
154.12233	0.2
155.03384	2.0
155.07051	0.6
158.09691	0.2
160.07591	0.3
160.11192	0.5
160.12408	0.4
161.08348	0.5
162.09142	2.9
162.12776	9.8
163.03946	0.2
163.11252	0.2
163.13423	0.2
164.14317	1.2
165.05453	0.7
167.07014	0.4
172.11115	0.2
173.11911	0.4
173.13292	0.4
174.12813	1.4
175.14813	33.2
176.14157	1.3
179.06960	0.2
183.06487	2.2
186.12775	1.4
187.93314	0.3
188.10692	0.2
188.14337	1.0
190.12254	2.5
193.15875	20.5
194.16269	0.3
202.12401	0.2
203.09442	0.9
204.13828	86.5
205.14339	1.8
206.15350	0.5
207.06561	0.2
207.10115	0.5
214.15892	0.5
218.11836	1.2
218.15294	1.0
225.07567	1.1
228.13919	0.2
232.16975	2.0
242.15402	0.3
248.11859	0.2
258.14786	0.2
260.16449	19.0
261.16711	0.5
342.20663	0.3
370.20245	1.9
388.21161	100.0
389.16934	0.3
389.21497	3.0
404.20685	0.3
447.29074	0.2
476.25891	0.3
734.91443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	3.0
67.05501	4.2
69.03445	2.5
69.07078	2.4
69.53672	1.8
69.54084	1.3
69.69334	0.6
73.02932	1.6
79.05490	3.4
81.03450	0.8
81.07053	3.2
83.08642	1.1
85.02912	3.8
91.03987	2.0
91.05467	2.6
93.07049	3.1
95.04989	0.8
95.08634	2.0
97.02900	3.1
97.10196	0.6
98.22675	0.6
101.02409	1.3
105.07058	2.1
107.08609	1.8
109.10181	2.3
119.08582	1.4
121.10228	0.9
125.09698	1.0
127.03989	1.1
131.08595	0.8
133.10181	1.6
134.66499	0.5
135.11702	1.1
145.10242	0.5
147.11780	0.8
149.13408	0.6
151.04457	0.7
159.11781	0.8
173.11771	0.7
180.94449	0.6
181.04561	0.7
185.04300	0.8
217.56981	0.6
243.08519	2.9
301.08905	0.8
315.10577	0.5
351.21600	2.5
473.97702	0.6
535.28772	6.4
569.29443	5.9
609.74866	0.6
636.54657	0.7
641.31818	0.9
673.34442	1.9
783.58118	0.8
863.51263	100.0
864.51947	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	865.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86072	0.3
67.05506	1.1
69.03429	3.0
69.43553	1.2
70.06596	4.1
79.05497	0.8
80.05023	0.8
81.07067	0.7
82.06583	0.6
84.08132	1.0
89.26598	0.3
91.05502	0.8
93.07038	0.4
94.06587	0.7
95.08607	0.8
96.08143	1.2
97.08910	0.6
101.06066	0.3
101.58885	0.3
104.08260	0.3
105.07045	0.9
108.08125	0.7
109.06570	0.5
110.09684	2.4
117.06983	0.5
120.08152	0.4
121.06500	0.3
122.09666	1.5
123.04418	0.4
124.11250	0.5
127.03948	0.5
133.10139	0.4
134.09650	0.8
135.08061	0.5
135.10449	0.3
136.11218	0.7
137.05971	0.3
138.09116	1.3
138.12772	0.3
145.10139	0.5
145.90309	0.3
148.11168	0.5
149.05997	1.0
150.09180	1.0
151.07513	0.3
155.07068	0.4
162.12830	1.1
164.10777	0.4
165.05551	0.5
167.06996	0.4
171.07988	0.3
174.12746	0.4
175.11197	0.4
179.07085	0.4
181.08620	0.8
182.11775	0.6
183.06534	0.4
184.13359	1.0
187.07607	0.3
188.14406	0.3
189.09146	0.8
190.15947	0.7
196.13333	1.5
198.14888	3.1
203.10745	0.4
217.08669	0.3
219.10172	0.6
221.11952	0.4
222.15082	0.3
227.66463	0.3
236.16568	0.6
246.14877	8.4
247.09645	9.5
249.11232	4.9
250.18062	2.0
272.16678	0.4
274.18015	0.4
278.18106	0.4
278.21255	1.3
302.14093	0.4
302.17456	0.4
306.20572	0.5
318.17215	0.8
320.18640	1.0
334.20145	6.5
344.18573	14.9
358.16422	0.4
372.22205	0.5
374.19669	1.3
400.21436	0.5
416.20627	4.9
417.21497	1.9
418.22260	8.5
432.23834	29.5
433.24265	0.9
439.45450	0.3
450.24902	100.0
451.25153	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	865.448
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86322	0.3
65.07668	0.3
67.05510	2.4
67.28746	0.4
68.05021	0.3
69.03059	0.8
69.03429	10.8
70.06577	1.1
72.11575	0.4
80.05011	1.3
81.07050	0.8
82.06561	0.8
83.01332	0.7
84.08116	0.9
91.05477	0.8
94.06574	2.0
95.04985	0.5
95.07346	1.4
95.08619	0.5
96.08128	1.7
96.35356	0.3
97.08908	0.5
99.04475	0.8
105.07031	1.0
106.06564	0.9
108.08124	1.5
109.06519	0.5
109.08904	0.7
110.09664	1.8
116.06274	0.3
117.07026	0.4
120.08098	0.7
121.06510	0.9
122.09665	2.8
123.10426	1.3
125.05972	0.9
127.03915	0.7
131.08572	0.7
132.08095	0.8
133.06485	0.4
133.08913	0.5
133.10136	0.5
134.09653	7.1
135.10448	0.7
136.11229	1.6
137.06021	0.9
138.09142	2.1
143.08548	0.5
146.09656	3.9
148.07613	0.9
149.05988	1.2
150.09120	2.5
151.07559	0.4
155.07033	1.1
159.08051	0.8
160.11198	1.2
162.09167	0.6
162.12717	0.6
163.07559	0.8
165.05519	1.2
167.07054	0.5
168.10201	0.9
168.88069	0.4
171.08037	0.6
172.11237	0.7
174.12836	0.7
180.10184	0.5
181.08554	1.8
182.11771	1.2
183.06577	2.2
186.09183	0.4
186.12761	0.7
188.14407	0.4
189.09090	0.7
194.11821	0.4
196.13380	1.1
198.09201	0.4
198.14833	0.5
200.10690	2.2
208.13315	1.2
214.12302	0.7
214.14325	0.5
216.13838	1.2
217.08546	0.6
219.06624	0.4
220.13383	0.8
222.12770	0.5
222.14885	5.9
228.13913	0.5
238.52400	0.4
242.15384	1.4
246.14923	2.5
247.09650	14.5
247.15500	0.7
248.10086	0.5
249.11226	7.6
250.11652	0.5
250.18098	0.5
256.13257	0.6
270.14908	0.9
274.18011	1.0
284.12817	3.9
295.75250	0.5
302.13858	0.4
302.17346	0.5
314.13913	0.5
316.15479	1.0
327.14731	1.0
328.15308	2.7
330.16760	0.5
334.20294	2.1
342.17010	3.9
344.18604	4.0
356.18652	0.4
358.16458	0.9
372.18024	5.4
381.33768	0.5
398.19681	0.7
400.21408	0.5
401.18484	0.6
415.19855	2.2
416.20654	9.9
417.21313	0.8
418.22198	2.5
430.22263	19.1
431.22598	1.0
432.23917	6.9
448.23294	100.0
449.23654	5.0
450.25021	21.6
455.05402	0.5
525.97943	0.4
556.32062	0.5
865.28369	0.5
882.82599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.4
68.04985	0.3
68.91322	0.2
69.03439	1.5
69.07042	0.7
69.31977	1.4
71.04980	0.5
79.05470	0.7
80.04999	0.7
81.03416	1.4
81.07057	1.1
83.08591	0.5
85.02907	1.9
87.00795	1.0
91.05442	0.7
93.07035	1.2
94.06553	0.5
95.04955	0.5
95.08618	2.4
97.02866	1.0
97.10122	0.3
98.23473	0.5
99.04415	0.5
99.08060	0.9
99.36947	0.2
105.01873	2.1
105.06984	0.5
106.06535	2.0
107.08601	3.1
109.02867	0.7
109.10139	0.4
111.08128	0.6
118.06509	0.9
119.07287	0.5
119.08563	0.3
120.08098	3.9
121.10143	4.7
122.09629	0.6
123.11697	0.3
124.11211	1.0
125.09633	0.5
127.03909	2.1
130.06514	0.6
131.07349	0.3
132.08096	0.4
133.05232	0.8
133.10109	0.3
135.11685	1.4
136.11174	0.7
137.06004	0.4
137.13220	0.4
140.08887	0.3
144.08162	0.5
145.04941	0.5
146.05972	0.4
146.09651	0.7
147.06740	1.3
148.06465	0.4
148.07565	4.9
149.08365	0.5
151.03944	0.3
151.07510	0.3
152.10625	0.4
154.12344	0.3
155.03392	2.3
155.06989	0.6
158.09700	0.3
159.02847	0.3
160.07539	0.3
160.11203	0.9
161.08334	0.9
162.09172	3.4
162.12773	11.9
163.11153	0.4
164.14333	1.7
165.05444	0.8
167.06992	0.5
172.11281	0.3
173.11926	0.6
174.12761	2.0
175.14819	0.3
176.10741	0.6
176.14322	2.5
177.16379	14.2
179.07074	0.3
181.08508	0.4
183.06482	2.4
186.12788	1.8
187.13432	0.2
188.10785	0.3
188.14349	0.9
189.03954	0.3
190.12263	2.5
191.12900	0.4
195.17439	4.8
202.12221	0.3
203.09369	1.0
204.10104	2.2
204.13828	91.2
205.14258	1.7
206.15378	0.7
207.10168	0.3
209.07935	0.3
213.18483	4.6
214.15889	0.6
216.17390	0.3
218.11755	1.4
218.15388	1.4
225.07507	1.2
228.13834	0.3
231.04990	1.4
232.16939	2.2
242.15372	0.4
249.06059	1.6
258.14758	0.3
260.16449	20.4
261.16736	0.3
294.18594	0.3
342.20459	0.3
370.20129	1.6
388.21161	100.0
389.21527	1.9
404.20706	0.3
407.20480	0.6
417.03809	0.3
425.21848	0.6
443.22751	0.7
461.23926	0.6
465.23480	0.3
568.54010	0.3
794.56152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2127
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
65.03934	2.0
67.01891	1.0
68.99792	7.9
73.88171	0.7
77.03905	1.3
79.05481	0.9
81.03402	3.5
85.02876	0.8
89.03909	1.9
91.05481	0.8
93.03407	1.4
95.04961	2.3
99.04449	0.7
103.05457	0.8
105.03379	1.3
107.04948	4.2
109.02897	3.7
111.00798	7.6
111.04438	6.6
117.03361	1.3
119.04923	1.2
121.02882	1.7
123.04425	58.8
127.03910	100.0
131.04935	2.6
133.06554	0.7
135.04410	50.2
137.02341	4.2
139.03896	47.8
141.06963	1.1
143.04924	2.0
145.06406	1.3
147.04420	7.0
149.02327	6.3
149.05992	3.0
151.03915	13.2
155.04907	1.0
157.06534	1.3
159.04413	5.5
161.02271	1.1
161.06013	4.3
163.03896	55.4
165.01773	0.7
165.05499	6.2
165.67792	0.7
167.03418	5.5
169.04958	1.8
169.06459	1.7
171.04372	0.7
173.05949	4.6
175.03925	3.6
176.04832	0.9
177.05510	5.4
179.03416	6.0
181.04959	1.3
181.06461	1.5
183.04410	2.0
185.05922	1.3
187.03876	8.9
187.07529	0.8
189.05452	2.8
189.62782	0.7
191.03378	9.6
193.04953	1.9
197.06049	3.6
201.05478	7.3
203.03391	10.9
203.07039	2.7
205.04977	2.9
207.02956	0.9
207.06494	1.2
209.06059	0.7
211.03937	0.7
213.05452	3.6
215.03383	2.8
215.06892	3.2
217.04970	2.3
219.06586	1.3
223.02423	1.1
225.05492	3.2
229.04976	8.3
231.02824	1.4
231.06531	2.1
233.04442	5.0
233.85941	0.7
237.05370	1.3
241.04942	2.7
243.06477	5.5
245.04445	53.5
246.04692	0.7
247.06006	47.1
251.05489	1.1
253.04964	2.4
255.06508	2.6
257.04453	15.7
258.05139	1.1
259.05994	11.1
261.07571	2.4
263.05426	0.9
265.04828	1.4
267.06430	0.9
269.04456	4.9
271.05978	23.4
273.07553	1.6
274.04742	2.6
275.05490	19.3
281.04428	1.7
283.05994	12.6
285.04077	1.5
285.07404	1.4
287.05478	20.4
289.07050	37.2
291.08624	19.8
295.06058	2.3
297.04019	2.3
297.07516	0.9
299.05450	5.9
301.07065	12.6
303.08511	1.8
307.05972	1.6
309.03922	1.9
311.05475	1.9
313.07040	1.6
323.05496	3.0
331.08209	1.3
333.09781	0.9
349.07068	0.8
351.04907	2.5
361.07028	1.4
362.52484	0.7
363.08810	1.0
365.06509	0.9
367.07938	0.8
377.06512	2.0
379.08014	3.2
383.07678	1.9
389.06436	1.7
391.08203	2.3
393.05618	3.2
397.09299	6.0
405.05914	2.8
407.07605	20.6
408.08112	0.9
409.03867	1.5
409.09171	25.2
410.10120	0.8
411.10938	4.4
419.07474	3.7
421.08969	3.6
425.08673	8.7
427.10287	16.6
433.09076	2.0
437.08722	7.6
439.10065	2.3
449.08679	2.6
451.10660	3.5
453.11554	2.0
515.19458	0.7
517.11304	1.8
527.09576	2.9
535.12390	1.6
541.11243	1.5
545.10663	5.9
559.12915	1.2
571.12482	2.2
577.13647	3.4
579.14807	7.2
679.14056	1.5
697.15167	3.7
715.16321	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.7
67.05486	0.7
68.99779	6.6
69.65516	2.2
73.51467	0.5
77.03919	0.6
81.03417	1.6
83.04980	1.0
84.45811	0.6
85.02914	1.2
89.03895	1.2
91.05467	0.9
91.72118	0.4
93.03394	1.9
95.04949	1.6
99.04424	0.5
105.03393	0.8
107.04961	3.7
109.02882	2.1
111.00797	8.0
111.04437	6.1
115.05460	0.7
117.03364	1.6
119.04911	1.7
121.02906	1.2
123.04424	57.5
127.03910	57.4
131.04932	1.7
135.04408	48.9
137.02345	3.2
137.03239	0.5
137.05966	1.0
137.41115	0.6
139.03896	41.9
141.06946	0.6
143.04941	0.8
145.06497	0.9
147.04405	7.0
149.02341	7.4
149.06006	1.8
150.03194	1.0
151.03897	14.4
155.04912	1.3
157.06509	1.0
159.04390	2.5
161.02313	0.9
161.05966	3.0
163.03891	50.5
164.04561	0.6
165.01857	1.4
165.05495	4.7
167.03467	2.8
169.04907	1.6
169.06462	1.5
173.02339	0.8
173.05960	3.6
175.03926	3.0
177.05476	6.0
179.03389	8.1
181.04956	1.1
181.06429	1.0
183.04373	1.4
185.05951	2.0
187.03871	5.3
189.01811	0.7
189.05455	2.7
190.02559	0.9
191.03372	11.5
193.04959	1.8
196.90216	0.5
197.05888	2.7
199.03874	0.7
199.07590	0.6
201.05493	7.8
203.03391	13.3
203.07048	1.4
205.04967	3.5
213.05389	3.2
215.03383	3.6
215.06961	2.5
217.04903	2.7
219.06451	1.3
221.04308	0.6
223.02385	1.7
223.07603	0.7
225.05484	1.9
227.07091	0.9
229.04941	10.5
230.05495	0.5
231.02858	1.2
231.06488	2.9
233.04425	6.0
235.02257	0.8
235.07625	0.5
237.05435	0.7
241.04916	3.2
243.02844	1.5
243.06517	2.4
244.03635	1.1
245.04443	100.0
246.04829	2.2
247.06004	52.2
248.06241	1.1
253.04974	1.8
255.06468	1.7
257.04449	13.3
258.05063	1.5
259.05991	11.4
261.07477	2.7
263.05573	1.4
265.05069	1.2
267.06549	0.7
269.04446	3.6
271.05988	20.6
273.03986	0.5
273.07507	1.1
274.04678	5.7
275.05481	27.1
279.06775	0.6
281.04456	2.3
283.06058	7.0
285.03906	3.6
285.07233	1.1
286.04532	0.9
287.05453	18.7
289.07037	31.2
290.07361	1.0
291.08649	11.9
295.05905	1.9
297.03983	1.3
299.05414	4.2
301.07037	13.3
303.05161	1.0
303.08545	1.9
307.06046	0.7
309.03949	1.5
309.07541	0.9
311.05518	1.3
313.06995	1.4
315.06287	0.5
321.07672	0.8
323.05426	2.2
331.08292	1.0
333.07535	0.9
345.07568	0.6
349.07141	1.0
351.05032	2.5
361.07071	2.8
365.06622	1.6
367.08167	0.9
373.07089	0.7
377.06595	2.0
379.07986	2.6
383.07642	3.9
389.06512	2.3
391.07977	2.2
393.05972	3.8
395.07428	1.5
397.09164	13.4
403.08340	0.7
405.05923	2.4
407.07590	35.1
408.07855	1.0
409.09137	21.1
411.10590	2.3
419.07620	5.8
421.09247	2.1
425.08643	10.6
427.10205	16.7
431.07608	1.4
433.09241	1.8
435.10257	0.6
437.08661	11.7
439.10181	1.8
449.08768	4.0
451.10312	3.9
453.11774	2.2
517.10864	1.0
527.09363	1.5
535.12457	2.9
541.11011	1.9
545.10748	4.8
559.12061	1.7
563.11523	0.7
577.13080	2.1
579.14771	4.9
628.47174	0.5
667.19000	0.6
679.14081	0.8
697.15100	2.4
715.16028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.0
67.01854	0.6
67.05478	0.7
68.99778	4.4
69.44293	1.1
69.44682	1.0
70.06590	1.2
79.05478	1.2
81.03426	3.6
85.02903	0.7
89.03915	1.7
93.03409	2.5
95.04399	0.7
95.04941	2.4
99.04471	1.1
105.03349	0.8
107.04951	4.6
109.02883	3.0
111.00797	3.3
111.04442	8.3
115.05457	1.0
117.03390	1.2
119.04930	2.0
121.02852	1.5
123.04429	55.4
127.03913	100.0
128.04285	0.7
129.07027	0.7
131.04903	2.5
135.04413	51.5
137.02338	4.1
137.05945	0.5
138.37741	0.5
139.03900	44.8
141.06958	0.9
143.04929	1.3
145.06467	0.8
147.04401	8.5
149.02348	5.5
149.05991	2.0
151.03900	16.4
152.06500	0.5
153.06880	0.5
154.22963	0.6
155.04909	1.4
157.06464	1.2
159.04443	3.6
161.05988	3.5
163.03900	41.7
164.04297	0.6
165.05473	5.1
167.03412	5.0
169.05159	0.7
169.06494	1.9
173.06007	4.6
175.03926	2.2
177.05417	4.0
179.03415	4.1
179.07094	0.8
181.04953	2.1
181.06433	0.7
183.04440	1.8
185.05997	2.1
187.03860	7.6
187.07419	0.8
189.05418	2.4
191.03375	8.3
193.04982	3.2
197.05951	4.3
201.05453	6.9
203.03397	6.0
203.07071	2.2
205.05009	3.0
207.06581	2.3
212.07037	0.6
213.05515	2.5
215.03465	2.3
215.06926	3.1
217.04970	1.8
219.06593	0.8
221.04378	0.6
223.02458	0.5
224.14384	0.6
225.05420	2.5
227.03423	0.5
229.04938	8.2
231.06517	3.0
233.04443	4.5
237.05341	1.2
241.04948	2.0
243.06573	4.4
245.04449	15.5
246.04720	0.5
247.06023	30.2
251.05342	0.7
253.04967	1.6
255.06570	1.3
257.04440	13.7
258.05389	0.7
259.06024	9.1
261.07608	3.3
269.04471	3.5
271.05991	22.5
273.07614	1.3
274.04745	0.7
275.05493	11.4
279.06616	1.0
281.04440	2.0
283.05984	6.2
285.04105	0.5
285.07382	1.0
287.05490	18.5
289.07062	36.1
290.07297	0.6
291.05383	1.0
291.08621	16.9
291.11816	1.1
295.06046	1.5
297.04004	0.6
297.07507	0.6
299.05469	7.3
301.07037	9.4
303.08685	2.9
309.03885	3.8
311.05356	1.0
313.07043	1.3
314.88748	0.5
317.06345	0.7
323.05484	1.2
325.07050	0.6
329.06305	0.6
333.09738	1.3
335.05371	0.8
343.08331	1.1
351.05048	0.6
373.06662	0.6
375.04816	0.9
377.06531	1.0
379.08142	1.2
383.07632	0.9
389.06876	0.7
391.08252	1.4
393.05927	3.5
397.09247	1.1
403.07733	0.6
405.05777	2.5
407.07660	5.2
409.09158	27.5
410.09723	0.7
411.10684	3.4
419.07617	2.0
421.09320	3.2
423.10880	0.8
425.08603	2.1
427.10245	18.1
433.09366	1.0
434.21628	0.6
435.10953	2.7
437.08649	3.7
439.10278	3.1
449.08459	1.0
451.10199	3.5
453.11746	3.8
469.11401	1.7
506.22949	0.6
517.11871	0.6
527.09399	1.6
529.10638	0.8
535.12000	0.7
545.10858	4.7
561.13647	2.1
571.12421	0.7
579.15027	11.1
589.13251	1.1
679.13971	0.8
697.15594	2.5
739.93097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2127
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
65.03942	1.8
67.05502	0.8
68.99784	9.2
69.59678	2.1
74.48286	0.5
77.03935	1.1
79.05473	0.7
81.03431	3.4
83.04983	0.7
85.02894	1.3
89.03934	1.0
91.05481	1.0
93.03368	1.5
93.25248	0.6
95.04967	1.1
99.04455	1.3
105.03361	0.7
107.04960	5.5
109.02905	2.5
111.00799	9.1
111.04417	5.0
115.05457	1.0
115.68739	0.6
117.03353	1.2
119.04926	1.9
121.02841	1.3
123.04428	58.7
125.62685	0.5
127.03911	80.3
128.04236	0.8
131.04941	1.9
133.06439	0.6
135.04411	50.4
137.02325	3.4
137.05931	1.0
139.03897	38.3
141.07008	1.3
143.04933	1.0
145.06458	1.1
147.04407	5.6
149.02341	6.6
149.05969	1.3
151.03893	10.3
153.07028	1.1
155.04947	1.2
157.06502	0.9
159.04457	2.9
161.02321	0.9
161.05969	4.1
163.03897	56.2
165.01874	1.2
165.05481	4.8
167.03383	4.7
169.04976	3.1
169.06438	1.5
173.05966	3.9
175.03954	3.2
177.05455	7.1
179.03365	6.8
181.05035	1.2
181.06415	1.0
183.04367	1.5
185.05972	2.1
187.03865	6.6
187.05107	0.6
189.01794	0.7
189.05438	2.8
191.03372	11.5
191.06941	0.8
193.04988	1.6
197.05995	3.8
201.05453	8.9
203.03374	11.7
203.07011	1.7
205.04901	2.8
207.06525	0.8
211.03908	0.8
213.05354	3.0
215.03477	4.2
215.07033	2.5
217.04979	2.9
219.06500	1.2
221.04301	0.8
223.02411	1.9
225.05476	1.9
227.06926	0.7
229.04965	10.4
231.06508	2.2
233.04405	4.4
237.05548	1.1
239.06941	0.7
241.04796	3.0
242.05566	0.7
243.02913	1.3
243.06435	3.6
245.04449	100.0
246.04977	1.2
247.06010	51.9
253.04967	1.6
254.05771	0.6
255.02829	0.6
255.06544	2.7
257.04443	14.3
258.05179	1.3
259.06018	7.7
261.07611	1.8
263.05356	1.5
265.04883	1.4
267.06540	1.0
269.04398	4.4
271.06009	23.1
273.07587	1.2
274.04727	5.1
275.05487	29.9
276.99261	0.6
279.06503	0.8
281.04440	1.8
283.05984	10.2
285.04001	2.8
285.07004	0.7
286.04660	1.8
287.05457	19.9
288.05811	0.7
289.07043	29.5
291.05505	0.8
291.08658	12.3
293.04471	0.8
295.06015	2.3
297.03925	2.0
297.07336	1.1
299.05469	4.1
301.07031	9.8
303.05194	1.6
303.08640	1.7
307.05942	1.5
309.03845	2.2
309.07477	1.1
311.05469	2.5
313.07156	1.7
321.03769	0.8
323.05505	3.0
329.06653	0.6
331.08072	2.5
337.07007	0.8
341.06415	1.1
351.04865	1.8
361.06976	2.6
363.08810	1.0
365.06653	1.3
377.06467	1.8
379.07962	3.5
383.07660	2.6
389.06607	3.9
391.07956	1.7
393.06161	3.1
395.07605	1.8
396.08188	1.1
397.09207	12.5
401.06396	1.5
405.05997	3.1
407.07571	35.0
409.03891	1.3
409.09186	20.3
411.10660	3.1
419.07693	6.1
421.09045	2.6
425.08646	11.0
427.10190	10.8
428.10553	0.6
431.07559	1.6
433.09351	3.0
435.10522	1.2
437.08646	14.4
439.10083	1.3
449.08603	4.3
451.10132	4.6
453.11658	1.2
517.11139	1.4
527.09674	2.6
529.11237	0.7
535.12396	0.9
541.11481	2.4
545.10895	5.9
557.10339	1.1
559.12042	2.7
571.12439	1.2
577.13574	1.3
579.14856	5.9
581.43408	0.6
589.13269	1.4
679.13611	2.1
697.15509	4.3
715.15802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	2.3
67.01855	1.1
67.05512	0.9
68.99787	10.6
70.06595	0.9
70.14414	1.7
72.08140	1.0
73.57095	0.7
77.03922	1.0
79.05473	1.7
81.03412	4.8
83.04973	1.4
85.54749	0.7
89.03918	3.0
91.05460	1.7
91.16350	1.0
93.03406	3.3
95.04967	2.8
99.04498	1.3
103.05466	1.2
105.03356	1.2
107.04960	7.0
109.02877	3.6
111.00800	8.8
111.04452	8.0
117.03354	2.0
119.04928	2.5
121.02882	2.4
123.04428	77.1
127.03914	100.0
129.10345	0.9
131.04932	4.1
135.04414	78.1
136.04735	1.7
137.02336	6.3
137.05948	2.2
139.03897	58.3
141.06987	1.2
143.04953	1.9
145.02873	1.4
145.06502	1.8
146.60446	0.8
147.04402	11.6
149.02364	8.6
149.05989	2.9
151.02684	1.0
151.03899	18.6
153.01807	0.9
153.05525	1.1
153.06914	0.9
155.04939	2.3
157.06415	1.0
159.04422	5.7
161.02307	1.2
161.05991	5.0
161.54404	0.8
163.03902	75.0
164.04265	1.2
165.05519	5.6
165.74448	0.9
167.03433	5.5
169.04993	4.0
169.06491	1.7
173.02339	1.3
173.05984	5.4
175.03906	3.5
177.05493	8.3
179.03398	10.7
181.04900	2.1
181.06488	1.8
183.04431	3.3
185.05994	3.5
187.03876	9.6
189.05450	4.8
189.23413	0.8
191.03375	13.2
193.04965	2.0
193.16779	0.7
197.06047	6.0
199.03893	1.0
201.05487	12.5
203.03394	17.3
203.07025	3.6
205.01192	0.9
205.05000	2.9
207.06514	1.0
209.06094	0.8
213.05472	3.7
215.03383	5.1
215.06937	3.8
216.04222	0.9
217.04938	3.6
219.06462	1.6
223.02318	2.3
225.05438	1.8
227.03482	1.0
229.04980	13.5
231.02866	1.2
231.06461	3.8
233.04547	4.7
241.04974	3.4
243.06546	6.8
245.04457	95.7
247.06009	66.8
248.06345	1.4
253.04945	4.3
255.06479	3.0
257.04440	20.0
258.05154	2.0
259.05997	14.7
261.07687	4.4
263.05511	1.6
267.06628	0.9
269.04352	6.5
271.05994	30.2
272.06427	1.4
273.03973	0.9
273.07391	1.6
274.04694	4.7
275.05472	31.5
279.06494	1.6
281.04474	3.0
283.05978	9.1
285.03891	3.9
285.07251	1.1
286.04648	1.6
287.05496	26.0
289.07059	43.5
290.07468	1.0
291.08624	25.8
295.05994	4.0
297.03955	2.7
299.05457	7.9
301.07031	16.1
303.05173	1.4
303.08661	2.6
307.06036	2.3
309.03937	2.8
309.07431	1.4
311.05499	2.2
313.07089	3.3
317.07257	1.0
321.03748	0.9
321.07288	1.4
323.05539	3.4
331.08182	3.0
345.07663	1.3
349.07111	1.2
351.04999	3.5
361.06943	1.7
365.06512	2.9
377.06641	1.6
379.08109	5.1
383.07669	5.0
389.06592	2.6
391.08075	3.3
393.05719	4.6
395.07574	2.5
396.07935	1.3
397.09125	15.0
401.06403	1.1
405.05981	3.9
407.07602	38.2
408.07983	1.8
409.09155	33.3
411.10629	3.4
413.56055	1.0
419.07657	8.3
421.09113	4.2
425.08682	16.8
426.08722	1.2
427.10266	24.1
431.07523	1.8
433.09161	3.2
435.10986	1.8
437.08649	16.5
438.08990	1.1
439.10098	2.2
449.08670	5.6
451.10168	7.0
453.11636	2.6
469.10861	1.6
517.11200	5.0
527.09406	3.0
531.11829	1.0
535.12085	2.9
541.11212	3.5
545.10968	9.6
557.10760	1.0
559.12274	3.1
561.13971	1.0
571.12134	1.8
577.13446	4.1
579.15015	9.2
589.13141	2.2
679.13654	2.2
697.15497	6.5
715.16248	1.9
866.03271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2373
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
70.51228	0.8
70.51561	0.4
83.46446	0.3
90.64871	0.4
95.87290	0.3
151.92969	0.4
291.76450	0.4
295.53049	0.4
363.06787	2.0
370.53198	0.4
371.73749	0.4
373.27728	0.3
381.07895	2.0
525.12128	4.2
543.13263	5.1
588.06989	0.4
687.17267	6.4
688.17249	0.4
705.18500	7.5
735.38867	0.4
867.23712	100.0
868.23755	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	867.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21967	0.6
64.49745	0.6
67.97162	0.6
70.11014	1.1
71.67346	0.6
71.84335	0.5
84.65496	0.5
98.97607	2.2
110.97604	2.0
116.98723	0.6
127.33357	0.6
128.98621	1.4
130.20911	0.6
158.99745	2.5
166.99200	0.7
170.99664	4.7
177.00754	1.2
189.00731	3.5
198.75156	0.6
201.00800	2.4
219.01907	1.8
223.18231	0.6
231.01932	0.9
249.02882	0.9
261.03003	1.3
279.03796	1.1
291.04037	2.4
363.07150	2.0
381.07379	2.9
399.08319	1.0
453.09171	1.0
525.11725	3.3
542.37012	0.6
543.12891	5.8
687.17621	6.7
705.18060	5.5
707.94464	0.7
867.23718	100.0
868.23492	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	867.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.3
68.05016	0.4
69.03426	3.5
70.04349	0.6
70.06593	4.6
71.05030	0.3
79.05492	0.8
80.05010	0.6
81.07040	0.6
82.06570	0.5
83.01362	0.6
84.08141	1.8
85.06577	0.3
91.05480	0.6
93.07034	0.8
94.06565	0.9
95.04962	0.4
95.08598	0.9
96.08141	1.4
97.08911	1.0
99.04414	0.3
105.07057	0.9
107.08614	0.8
108.08105	1.1
109.06558	0.5
109.08881	0.3
110.09679	3.1
117.07050	0.4
119.08585	0.5
120.08131	0.9
121.06506	0.6
122.09692	1.3
123.10458	0.5
124.11207	0.7
125.05973	0.4
127.03903	0.4
131.08617	0.7
133.06548	0.3
134.09663	1.3
135.08086	0.6
135.10445	0.4
136.11188	0.7
138.09160	1.9
138.12805	0.3
143.08548	0.4
145.06549	0.4
145.10130	0.5
147.08037	0.5
148.11240	0.5
149.06004	0.3
150.09209	1.0
150.12791	0.4
153.05481	0.4
155.07040	0.3
159.08113	0.4
160.08734	0.3
160.11250	0.6
161.05984	0.3
161.09621	0.5
162.09018	0.3
162.12778	1.6
163.07565	0.4
164.10744	0.4
164.14391	0.3
165.05463	0.3
165.09120	0.4
166.12306	0.3
167.07022	0.5
171.08069	0.4
175.07497	0.4
175.11230	0.4
179.07028	0.6
181.08643	1.0
182.11789	0.8
183.06529	0.4
184.13345	1.1
188.14392	0.4
189.09143	0.9
190.15906	0.9
196.13388	1.2
198.14880	4.8
210.14932	0.6
217.08636	0.6
218.15463	0.4
221.11856	0.4
222.14746	0.5
224.16492	0.5
231.10251	0.5
234.08926	0.3
236.16345	0.7
246.14894	8.7
247.09647	7.4
249.11197	6.1
250.18004	2.1
262.18204	0.3
278.21188	0.8
286.14481	0.4
286.17841	0.5
302.14160	0.6
302.17426	0.5
306.20691	0.4
318.16956	1.5
320.18491	1.5
330.17120	0.5
334.20108	8.2
342.16858	0.4
344.18561	13.0
372.21899	0.5
374.15616	0.3
374.19550	2.0
400.21164	1.1
402.19260	0.5
417.21439	2.2
418.22247	10.8
432.23840	31.0
433.23965	0.5
450.24878	100.0
451.25021	2.9
625.71185	0.3
736.07397	0.3
829.16327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83482	0.2
67.05408	0.9
68.04974	0.3
69.03336	3.3
69.03748	0.4
70.06494	3.4
70.48222	0.4
71.04926	0.5
79.05396	0.7
80.04918	0.7
81.06972	0.6
82.06480	0.6
84.08030	1.4
84.30432	0.2
91.05348	0.8
91.05873	0.3
93.06929	0.8
93.07472	0.2
94.06461	1.0
94.06979	0.3
95.04867	0.5
95.07280	0.2
95.08530	0.5
96.08022	1.8
97.08817	0.6
99.04342	0.3
101.05900	0.2
102.69904	0.2
105.06915	1.0
107.04800	0.3
107.08482	0.6
109.06422	0.5
109.08766	0.4
110.09682	2.5
110.10358	0.4
111.07989	0.4
117.06976	0.2
117.31161	0.2
119.08490	0.5
119.71468	0.2
120.07958	0.6
121.06418	0.5
121.09599	0.2
122.09641	1.3
123.07975	0.5
124.11117	0.6
127.03837	0.4
129.06888	0.3
131.08467	0.4
133.10005	0.4
134.09648	1.0
135.08035	0.5
135.10361	0.4
136.11115	0.8
137.05876	0.5
137.09531	0.4
138.09175	1.1
138.12680	0.5
139.07443	0.3
143.08458	0.4
145.06343	0.3
145.10034	0.5
146.09523	0.2
147.07915	0.3
148.11064	0.4
149.06000	1.5
149.09538	0.2
149.11903	0.2
150.09032	0.6
151.07437	0.3
152.10579	0.3
155.06932	0.3
159.07996	0.4
159.10306	0.2
160.08730	0.2
160.11049	0.6
161.09547	0.4
161.11894	0.3
162.12811	1.6
164.10555	0.4
165.05428	0.4
165.08980	0.5
167.06946	0.4
168.10143	0.2
171.07944	0.4
173.09514	0.3
175.11063	0.4
176.08084	0.2
179.06906	0.2
181.08488	0.6
182.11679	0.8
183.06445	0.3
184.13275	1.0
187.07487	0.3
188.14207	0.6
189.08943	1.0
190.12120	0.5
190.15788	0.6
191.06920	0.5
191.10614	0.5
196.13284	1.2
198.12987	0.3
198.14873	3.3
202.12102	0.2
203.10515	0.3
204.07635	0.3
210.14772	0.4
217.08469	0.4
218.15279	0.4
219.09932	0.4
222.14815	0.4
224.16312	0.3
234.08875	0.4
234.14748	0.3
236.16435	0.6
244.16902	0.3
246.14896	10.6
247.09651	13.8
248.16341	0.3
249.11238	4.1
250.18037	2.3
268.16684	0.3
278.13788	0.4
278.21033	0.9
286.17950	0.2
302.13937	0.5
302.17395	0.5
306.20514	0.4
316.15341	0.2
316.18918	0.4
318.16992	1.2
320.18549	2.2
330.17105	0.3
334.20139	8.4
342.16858	0.3
344.18552	18.1
345.18723	0.4
372.21915	0.2
374.19653	1.6
400.21097	0.9
404.20468	0.3
406.22372	0.4
416.20920	0.3
417.21411	1.7
418.22229	13.2
419.22516	1.7
432.23813	31.3
433.24127	0.8
450.24863	100.0
451.25284	2.9
464.22446	0.3
521.43799	0.2
867.47156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01864	1.3
67.05500	0.9
69.03426	1.7
69.07072	65.0
71.04993	1.0
73.02922	1.1
73.06557	9.4
77.08115	0.5
81.03436	5.4
81.07052	1.2
83.04984	2.8
85.02893	3.4
85.06543	1.0
87.08110	100.0
91.05479	0.8
93.40833	0.7
95.08598	0.8
97.02892	3.4
97.06540	10.8
98.22705	1.7
99.04457	11.3
101.02393	0.8
101.66308	0.7
105.09164	2.1
107.08602	1.3
109.02174	1.4
109.02885	17.0
109.10137	0.9
111.04434	3.8
115.07584	2.9
125.02359	1.4
125.09612	1.0
127.03918	60.5
128.10724	5.0
133.08620	2.4
133.10141	1.2
140.48697	0.7
145.04950	6.4
155.07045	1.4
159.13812	13.4
163.06058	4.6
169.08578	6.1
173.15382	36.4
181.08652	1.0
187.09688	1.4
195.10156	6.2
197.11765	1.0
201.14864	1.1
205.14400	1.1
209.08070	0.7
211.13332	1.7
215.12801	14.9
219.15950	1.9
223.09668	2.6
223.35950	0.7
227.09175	3.4
229.02213	0.9
229.14363	33.7
231.12326	2.2
241.10735	18.6
245.10138	1.0
253.14407	2.6
259.11777	3.9
269.13998	1.2
271.15347	1.4
277.12817	2.1
283.15421	1.1
287.14941	0.8
301.16425	0.6
309.17157	0.9
313.27322	1.5
315.21533	0.7
329.19568	4.1
337.16470	2.0
341.16019	11.5
343.21036	4.7
355.17517	12.7
359.17023	4.7
373.18701	5.0
377.18164	2.8
386.72113	0.7
391.19498	3.9
401.21628	2.2
451.23056	0.8
455.22806	18.4
469.24362	10.5
473.24130	1.5
487.24918	1.0
491.24905	4.5
505.26334	3.5
509.38559	1.7
619.33789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.1
67.05502	24.5
69.07067	14.9
69.58492	0.4
69.58833	1.0
71.04980	0.6
71.08620	0.9
71.33036	0.3
76.17806	0.3
79.05488	8.0
81.07055	27.5
83.04982	1.0
83.08617	7.2
85.06539	1.0
85.10183	0.4
91.05479	4.9
93.06451	0.4
93.07040	7.5
95.04987	0.9
95.08603	22.4
97.06541	2.3
97.10165	4.0
98.22709	0.5
98.98463	18.8
99.08073	1.0
105.07024	4.4
107.08582	4.3
109.06521	0.5
109.10152	9.7
111.08069	1.1
111.11696	0.8
113.00072	0.3
116.99488	0.5
119.08576	3.4
121.06494	0.5
121.10133	3.9
123.08088	0.6
123.11697	3.2
125.09609	0.4
133.10114	3.0
135.04416	0.5
135.08054	0.4
135.11696	1.8
137.09618	0.4
137.13258	1.2
139.11197	0.4
140.01079	0.3
147.11650	2.4
149.13268	1.4
150.06761	1.1
151.07520	0.4
151.11137	0.4
151.14828	1.3
153.12799	0.4
155.01036	10.6
161.13261	2.0
163.14850	1.0
165.09090	1.1
165.16414	0.6
169.02638	0.4
173.02081	3.4
175.14760	1.5
189.16406	0.7
203.17900	0.5
204.77396	0.3
237.91470	0.3
245.22636	4.6
246.38129	0.3
249.02939	0.3
256.26440	0.4
263.23685	11.8
323.25739	1.7
337.27347	100.0
338.27634	1.8
417.23849	1.0
556.24567	0.4
599.49976	0.6
756.56183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97322	0.9
71.10375	0.9
77.03957	1.1
79.05508	3.4
91.05474	4.8
95.04997	2.5
103.05468	8.2
104.10758	1.1
105.03387	9.7
105.04483	1.1
105.07025	33.9
107.04961	1.3
107.58099	0.8
107.82038	0.7
109.05300	1.0
115.05460	7.9
118.04189	3.3
119.04985	2.8
121.06509	1.0
131.04962	3.7
132.05724	0.9
132.12102	0.9
133.06488	32.4
141.36549	0.9
143.06104	3.0
147.04445	2.0
148.05162	1.3
148.51799	0.9
149.06001	3.8
151.07590	2.6
159.08159	1.0
161.05971	47.7
163.07590	3.9
164.08377	1.8
165.05511	1.5
167.07115	0.9
176.04607	1.9
176.08266	7.2
177.05321	1.0
177.09210	1.9
179.07008	4.7
181.05008	3.1
181.35669	1.0
184.05019	3.0
189.09148	1.4
191.07053	15.3
192.07863	2.3
193.08586	13.0
193.10126	1.2
197.08061	1.6
204.03897	6.5
205.04718	100.0
207.06439	7.1
215.06757	8.3
219.10251	2.0
219.37424	0.8
230.05559	1.3
231.06303	4.7
232.07022	6.0
235.09770	1.5
236.10396	1.7
246.07387	1.8
274.08270	1.9
275.09045	1.3
278.11639	2.2
287.09064	2.2
301.10666	1.3
365.09903	6.5
379.11664	2.4
380.12274	5.7
401.94919	1.0
469.14963	2.4
483.16364	1.7
499.15570	1.5
542.17310	5.7
544.17072	2.2
545.17542	1.4
597.20563	1.0
604.19080	14.1
619.18091	3.2
737.94916	0.9
781.24823	1.0
811.25641	56.8
812.26245	2.6
871.27814	55.7
872.28259	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	871.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49686	2.5
70.06599	2.6
90.61182	0.7
94.71133	0.8
124.26292	0.7
226.33290	0.8
303.32712	0.8
358.51495	0.7
418.22287	1.0
438.19125	2.1
451.25421	2.2
452.24420	2.7
453.22852	3.7
454.16306	42.6
454.22876	1.6
455.16577	10.5
456.17746	100.0
457.18073	2.6
714.39880	0.8
770.42780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45715	0.2
67.05499	0.6
69.03419	1.4
70.06595	1.3
71.04986	1.8
71.43951	0.2
79.05501	0.6
80.05025	1.0
81.07044	0.6
81.32407	0.2
82.06579	0.3
83.01343	1.2
83.04965	0.2
83.07365	0.2
84.08136	1.3
91.05508	0.3
91.48106	0.2
93.07039	0.4
94.06557	0.6
95.04940	0.5
95.08602	0.5
96.08121	0.6
97.06521	0.2
97.08931	0.3
98.06033	0.3
98.09660	0.2
99.04449	0.4
105.07030	0.6
106.06554	0.5
107.04926	0.2
107.08586	0.3
108.08131	0.5
109.08836	0.2
110.06149	0.2
110.09703	0.4
111.08071	2.9
112.07622	0.2
115.03939	0.9
115.04636	0.2
118.14861	0.2
119.08591	0.4
120.08127	0.3
121.06448	0.2
122.09673	1.8
123.08082	0.5
123.10454	0.3
124.07630	0.2
124.11214	0.7
125.06018	0.2
126.09119	0.4
127.03837	0.2
128.06186	0.2
129.32536	0.2
130.06586	0.2
131.08580	0.3
133.06473	0.2
134.09630	0.9
135.10367	0.2
136.11212	2.8
138.09109	0.2
139.07512	0.3
141.09062	0.2
143.03415	0.6
145.06488	0.3
146.09731	0.2
148.11194	0.2
150.09142	2.2
152.10686	1.3
152.92543	0.2
153.01782	0.2
153.05501	0.2
154.12274	0.6
155.07019	0.6
159.08089	0.3
160.11194	0.3
162.09117	0.5
162.12793	0.7
163.13528	0.2
164.10764	0.2
164.14340	4.6
165.05426	0.2
166.12262	0.3
168.10201	1.6
170.11754	0.6
171.08043	0.2
173.05919	0.2
173.09619	0.2
174.12781	0.3
176.14339	0.3
177.09091	0.2
178.15912	0.2
180.10146	0.3
180.13847	0.4
181.04945	0.3
182.11763	5.0
182.15323	0.9
184.13290	0.3
188.14549	0.3
189.09055	0.4
190.12305	0.3
190.15961	0.5
192.13829	0.3
195.16176	0.3
197.08069	0.2
199.07481	0.2
208.13275	0.5
208.16925	0.4
217.73143	0.2
218.11707	0.2
220.13245	0.3
233.07890	0.3
234.14902	1.7
235.15656	0.2
236.12883	0.4
236.16455	1.7
247.09634	0.6
248.16513	0.3
260.16385	0.5
262.18008	0.6
264.19568	0.4
277.10583	0.2
278.17468	0.9
278.73273	0.2
289.10690	0.2
292.19067	0.4
308.18536	3.5
352.17505	0.2
354.19180	0.8
364.17447	0.3
374.19559	0.2
378.19049	0.2
390.22778	0.5
402.18994	0.4
406.22122	0.3
416.20648	0.4
418.18756	0.4
420.20160	12.6
421.20294	0.4
434.21738	7.3
436.19629	22.8
437.19894	0.5
450.21356	0.3
451.21588	0.4
452.22772	100.0
453.23132	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	871.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36861	0.2
67.05509	0.5
68.09290	0.2
69.03430	1.4
70.82835	0.3
71.04984	0.4
79.05490	0.5
80.05015	0.7
81.07062	0.4
82.06621	0.3
82.73834	0.2
83.01342	0.3
85.06535	1.3
86.06064	1.2
91.05482	0.5
93.07049	0.5
94.06561	0.8
95.04999	0.4
95.08609	0.3
96.08155	0.5
98.06062	0.4
99.04447	0.4
102.87331	0.2
105.07042	0.7
106.06614	0.2
107.08546	0.2
108.08133	0.5
109.06526	0.5
109.08933	0.3
110.09727	0.3
111.08085	3.6
117.07042	0.4
119.08598	0.7
120.08119	0.4
121.06542	0.4
122.09665	1.7
123.08090	0.3
124.07594	0.2
124.68712	0.2
125.06001	0.6
127.03927	0.8
127.16109	0.2
129.07008	0.2
131.08521	0.2
133.10143	0.3
134.09666	0.4
135.08063	0.3
136.11229	0.9
137.05949	0.3
137.11972	0.7
138.09142	0.5
139.07556	0.6
143.08577	0.4
145.10135	0.5
146.09647	0.5
147.08026	0.4
147.10329	0.2
148.07558	0.5
148.11211	0.2
150.08110	0.3
150.09113	1.2
150.12798	0.8
151.03882	0.6
151.07637	0.3
152.10709	0.7
155.03384	0.3
155.07037	1.1
160.11200	0.3
161.09639	0.3
162.09160	0.3
164.10724	0.4
165.05482	1.3
166.08771	0.3
167.07166	0.3
168.10246	0.7
173.09720	0.3
175.11166	0.5
176.10789	0.3
178.12292	1.4
181.08644	0.4
182.11731	1.2
183.06520	4.4
186.11247	0.3
188.10709	0.3
196.09714	0.5
197.08138	0.5
198.11212	0.5
205.12317	0.2
206.15381	0.3
216.13867	0.3
231.10208	0.3
233.14397	0.2
234.14928	0.7
242.15546	0.5
244.13292	0.2
248.12749	0.3
249.11301	0.3
251.15141	0.2
252.16002	0.8
260.16412	0.6
262.14444	0.7
267.12097	0.5
278.17566	0.4
286.14447	0.2
288.15927	0.5
290.17361	0.2
304.15439	0.8
308.18594	0.3
314.17593	0.4
318.16788	0.4
334.16541	0.5
336.18045	2.1
342.16913	1.2
354.18735	0.3
357.08157	0.2
360.18036	4.6
379.04807	0.2
388.21292	0.7
398.19342	0.3
402.19644	0.2
416.20694	1.6
420.19998	1.0
434.21750	19.6
435.22141	0.8
436.22775	0.7
452.22787	100.0
453.23129	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	871.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.9
67.07639	0.3
69.03433	2.1
70.06588	3.9
71.04988	0.4
79.05484	0.6
80.05004	0.7
81.07043	0.5
81.39185	0.2
82.06604	0.3
83.01357	0.3
84.08135	1.0
91.05467	0.9
93.07030	0.9
94.06577	0.8
95.04961	0.4
95.08585	0.6
96.08140	1.4
97.08898	0.3
100.55136	0.3
105.07012	0.9
107.04845	0.2
107.08568	0.4
108.08111	0.8
109.08900	0.3
110.09666	1.9
112.07631	0.2
117.07007	0.4
119.04933	0.3
119.08551	0.6
120.08080	0.5
121.06515	0.5
122.09649	1.7
124.11235	0.4
125.05973	0.3
127.03878	0.3
131.08588	0.5
133.06482	0.3
133.10202	0.3
134.09673	0.7
136.11198	0.8
137.05992	0.4
138.09184	0.5
139.07510	0.3
140.76201	0.2
141.06964	0.3
143.08575	0.5
145.06470	0.3
145.10118	0.3
147.08002	0.4
148.11240	0.4
149.05972	1.7
149.67813	0.2
150.09158	0.9
151.07555	0.2
155.07040	0.3
157.10172	0.2
160.11206	0.3
161.09581	0.4
162.12785	1.0
163.07620	0.4
166.12115	0.2
167.06990	0.2
167.10699	0.3
168.10249	0.3
170.11848	0.4
173.09619	0.3
174.12860	0.3
175.11166	0.3
176.14330	0.2
181.08618	0.6
182.11739	2.4
183.06491	0.5
184.13332	6.4
184.15028	0.3
187.07544	0.3
188.14331	0.3
189.09001	0.9
190.15810	0.4
191.10655	0.4
201.09055	0.2
202.12184	0.3
206.11729	0.3
207.06482	0.3
208.13300	0.5
210.14946	0.4
216.13651	0.3
217.08685	0.2
220.13257	0.5
221.11702	0.3
229.90195	0.3
231.10204	0.3
233.11603	0.3
234.14877	0.4
236.16455	1.9
246.14871	7.0
247.09647	13.0
248.10016	0.6
249.11197	2.6
262.17984	0.4
264.19547	0.8
268.17255	0.2
292.15622	0.3
292.18924	0.4
302.17606	0.4
318.16910	1.0
320.18546	10.9
321.18756	0.7
322.18893	0.3
330.16754	0.3
342.20566	0.4
344.18533	12.4
345.18921	0.8
360.18054	0.8
390.22925	0.3
400.21011	1.1
403.19785	0.4
418.22217	26.1
419.22626	1.6
420.22812	0.8
436.23279	100.0
437.14575	0.4
437.23682	6.5
438.23959	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	872.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.6
65.03951	1.1
67.05151	1.2
67.05506	16.9
69.03440	4.5
69.07072	5.8
71.04992	3.8
73.02933	0.6
77.03963	0.9
79.05497	18.5
81.03421	81.1
81.07063	16.9
82.03751	0.7
83.04990	9.6
83.07378	0.6
83.08624	18.7
85.02907	13.7
85.06562	1.1
91.03947	2.2
91.05486	22.5
93.07049	13.0
95.04974	26.9
95.08602	8.1
97.02903	4.2
97.06549	3.0
97.10164	5.2
99.08086	1.1
105.07033	15.6
107.04962	7.4
107.08601	8.3
109.02866	1.0
109.06535	4.7
109.10153	3.0
111.04456	2.3
111.08089	8.9
113.06027	0.9
115.03979	0.9
115.05471	1.4
117.07030	2.9
119.04967	1.3
119.08589	14.5
121.06508	5.9
121.09362	1.0
121.10157	7.0
123.04465	0.9
123.08068	2.6
123.11692	1.0
125.06046	0.7
125.09647	2.8
127.03926	1.7
128.06288	0.6
129.07014	11.5
131.04910	1.2
131.08574	11.3
133.06491	4.1
133.10144	6.9
135.04350	0.6
135.08052	1.8
135.11678	1.2
137.06001	1.1
137.09633	2.4
138.12863	0.7
141.06973	0.9
142.07785	2.7
143.08563	1.7
145.04904	1.1
145.06491	4.4
145.10133	3.6
147.04424	1.4
147.08028	4.8
147.11690	10.4
149.09607	5.9
151.07524	0.6
151.11172	1.0
155.08566	1.5
157.10129	11.0
159.08073	1.3
159.11734	0.8
161.05972	0.9
161.09607	1.0
163.03886	0.8
163.06091	1.1
163.07515	0.8
163.11185	1.4
165.12773	2.5
167.07092	0.8
169.10234	1.1
171.08060	1.2
171.11714	0.8
173.06059	0.7
173.09633	1.0
175.07675	0.6
175.11177	11.5
175.12651	0.9
175.14626	0.7
179.07210	0.6
183.11685	0.9
185.09666	1.1
187.07507	0.9
187.11163	0.7
189.09132	0.8
189.11154	1.4
189.12740	0.9
193.12251	33.6
195.11682	1.2
205.12392	0.7
207.11919	0.7
207.13963	0.8
211.11345	0.7
211.13284	11.6
213.12785	0.9
215.14465	0.7
219.13786	1.4
227.12750	0.7
229.14377	1.3
233.15491	0.9
237.12775	0.9
249.14891	1.8
255.13760	2.4
267.15921	100.0
268.16229	1.3
273.14883	4.9
285.16986	12.2
301.14441	0.8
339.23044	1.1
341.21094	1.7
342.69461	0.6
349.21725	2.5
357.24445	1.3
367.22681	8.0
385.23672	9.0
386.23819	0.8
388.21292	5.0
403.24805	2.7
421.25653	0.8
423.25427	0.8
433.25870	17.1
441.26556	6.1
459.27438	84.6
460.27676	2.5
477.28503	53.0
478.28854	1.1
495.29550	2.3
501.28439	2.6
519.29309	2.9
567.29602	0.8
573.30566	0.7
585.30469	2.7
603.31403	2.5
621.32324	1.6
701.54120	0.7
872.37134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.3
65.03942	3.9
67.05505	100.0
68.22357	1.6
69.03436	3.5
69.07063	17.4
69.73493	1.5
71.01316	1.6
71.04985	5.3
71.08638	2.2
73.02914	3.5
74.06057	1.3
77.03922	2.9
78.04701	1.6
79.05498	51.4
81.03424	12.6
81.07057	60.4
83.04998	7.1
83.08622	17.5
85.02907	10.1
85.06552	5.5
87.04474	3.6
91.05479	61.5
93.07047	51.8
95.04961	11.0
95.08025	1.9
95.08611	34.5
97.02883	5.7
97.06554	8.6
97.10165	16.2
99.04465	2.2
99.08052	2.9
103.05456	2.1
105.04530	3.8
105.07030	55.3
107.04934	3.2
107.07927	2.4
107.08600	31.7
109.06519	6.6
109.10155	60.9
111.04448	2.0
111.08076	4.0
115.05411	3.0
116.04745	1.5
117.07035	23.8
119.08583	46.5
121.06525	2.4
121.10147	18.3
123.08050	3.5
123.11722	2.5
125.09620	15.7
128.68022	1.5
129.05481	3.4
129.06985	11.9
130.07765	2.2
131.08562	22.9
133.06509	1.5
133.10135	38.6
135.08087	2.9
135.11690	14.4
137.09569	4.9
141.07021	1.8
142.07782	3.4
143.08578	10.1
143.10594	1.5
145.10123	21.9
145.49648	1.9
147.07968	1.6
147.11700	27.4
149.09596	3.9
149.13252	8.1
153.12747	2.9
155.08525	4.6
155.10658	2.9
157.10175	8.8
159.07913	1.6
159.11693	16.0
161.09665	1.8
161.13255	16.3
163.11218	6.9
163.14883	1.8
169.10159	1.9
171.11678	8.3
173.09723	2.2
173.11726	13.8
173.13239	10.0
175.11061	3.0
175.14789	5.4
179.14404	1.5
181.10115	2.1
183.11737	5.5
185.11813	2.1
185.13266	7.7
187.14880	2.1
191.10538	1.6
193.12329	2.5
197.13248	4.3
199.13264	5.6
199.14853	3.4
201.16319	1.6
209.11697	4.0
227.12796	7.2
229.14336	38.6
231.21039	4.8
239.17836	1.6
241.19508	15.3
257.19052	5.4
258.19894	1.4
259.20572	48.4
267.15976	4.5
271.20398	1.8
275.20050	5.4
293.20795	1.9
301.16312	8.4
313.21466	3.4
315.23212	6.9
325.21710	2.1
333.24240	38.4
335.25906	2.8
349.23932	1.7
399.23730	14.2
452.52145	1.5
487.34061	4.5
504.34146	4.0
505.35059	4.2
532.52734	1.8
541.35339	3.7
559.36224	2.9
577.36786	2.5
585.41589	3.5
657.42688	5.2
675.44287	5.2
872.44391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.2
65.03934	6.3
67.05508	97.5
69.03436	18.2
69.07072	67.3
69.07450	3.8
71.01344	2.4
71.05004	24.2
73.02921	5.4
77.03931	2.1
79.05498	84.4
79.49334	1.5
80.50089	1.6
81.03415	27.1
81.07059	100.0
83.04988	18.0
83.08623	25.1
85.02914	10.9
85.06557	6.2
91.05486	70.6
93.07051	73.9
95.01357	1.7
95.04977	24.3
95.08024	2.4
95.08614	43.6
97.02900	10.5
97.06535	76.0
97.10175	21.7
99.04449	3.2
99.08095	7.7
103.05460	4.0
105.04515	6.3
105.07036	57.8
107.04964	19.2
107.08597	51.6
109.02880	4.3
109.06520	21.0
109.10161	26.9
111.04448	5.0
111.08070	10.8
113.06014	4.1
115.05468	5.2
115.07578	21.0
116.06240	1.7
117.07030	29.9
119.08590	42.2
121.06521	10.4
121.10147	25.1
123.08092	9.9
123.11694	5.1
125.09641	12.9
127.03918	6.6
127.07556	2.8
128.06212	5.5
129.07005	17.7
130.07802	2.8
131.08563	32.7
131.09465	2.6
133.06494	4.2
133.10138	34.9
135.08063	14.6
135.11700	17.2
137.05914	1.8
137.09633	5.1
139.07530	1.7
141.07024	4.2
142.07761	2.4
143.08562	14.2
145.06485	4.4
145.10132	27.0
147.08076	8.3
147.11699	15.2
149.09644	17.9
149.13269	11.6
151.11191	6.0
153.09108	1.9
153.12758	2.7
155.08551	7.4
157.10155	13.4
158.68413	1.6
159.08054	3.1
159.11696	20.1
161.09619	8.7
161.13240	6.1
163.11220	13.8
165.12732	4.0
166.07759	1.8
167.08574	3.1
169.10123	6.8
171.08153	1.7
171.11639	9.7
173.04504	6.5
173.09593	3.7
173.11888	2.8
173.13197	8.4
175.11183	7.9
175.14897	2.4
177.12738	7.0
179.14296	2.9
181.10201	3.3
181.12187	2.1
183.11714	5.0
185.09590	2.6
185.13272	5.2
187.11121	3.9
187.14812	2.7
189.11238	7.8
189.12714	3.1
191.10683	2.3
193.12282	2.7
195.11794	3.8
195.13811	5.6
197.13280	3.8
199.14841	4.7
203.14398	1.6
205.12238	2.8
211.14824	2.6
213.16515	2.1
215.14409	1.8
217.15915	4.8
219.13869	2.0
223.13150	3.1
223.15077	2.0
223.82538	1.5
227.12769	18.6
227.18010	3.0
229.14360	7.6
229.19525	2.7
233.15378	3.1
237.16444	2.1
239.18015	2.1
245.13757	2.3
245.18947	3.7
253.14310	4.7
255.15944	5.7
257.19031	8.9
263.20090	2.8
266.94568	1.8
267.16016	4.9
269.17508	33.9
273.18500	25.8
275.20114	31.0
281.18924	1.7
291.19543	28.0
293.21082	1.9
323.19107	1.9
329.21109	2.3
334.39304	2.3
347.21912	10.2
349.23743	27.7
365.23239	18.3
367.25037	3.8
383.24197	2.9
431.28595	2.6
444.18716	1.6
449.29535	2.5
450.10938	1.8
463.30823	8.1
477.28082	1.7
489.32098	2.0
519.32953	5.9
525.35522	1.6
527.33661	3.2
529.35620	2.9
541.34888	6.2
543.36841	11.9
545.34692	3.9
559.36194	15.4
561.37714	3.0
577.37457	4.3
621.41760	3.7
639.42615	14.0
657.43884	7.5
872.44781	4.1
873.44598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.446
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13327	0.6
67.05507	1.5
69.07083	1.2
70.06572	0.5
77.85160	0.6
78.69218	0.5
79.05513	0.7
81.07057	0.9
93.07063	1.0
98.23431	1.3
105.07075	1.2
109.10148	0.8
117.55420	0.7
121.10205	0.6
155.06863	0.9
179.14291	0.7
255.12146	1.1
269.13605	5.0
309.38589	0.7
310.90125	0.6
369.18884	2.7
383.20456	7.1
441.21027	7.4
455.22540	1.7
495.22638	0.7
513.23010	0.7
527.25000	0.9
545.00391	0.6
611.57581	0.7
627.29883	0.9
641.31665	0.8
676.45258	1.1
759.37762	1.4
873.44470	100.0
874.44684	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	874.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02664	0.4
61.02925	3.5
65.03905	0.4
66.39784	0.4
69.03427	17.5
70.06577	0.6
71.04973	1.2
73.02535	0.4
73.02914	3.6
77.03925	0.3
78.04672	0.6
79.05496	3.6
80.05013	0.4
81.03416	19.8
81.07052	0.4
83.01323	0.5
85.02903	41.0
87.04467	9.0
91.03960	2.0
91.05467	2.1
95.04953	1.5
97.02891	20.0
98.06036	0.4
99.04458	3.2
102.04687	0.5
103.03925	0.4
103.05460	0.8
105.04495	0.5
105.07023	1.0
107.04954	8.6
108.04488	2.9
109.02172	0.6
109.02874	7.8
109.06515	0.4
115.03928	24.5
115.05424	5.7
117.07018	14.5
121.06469	0.7
122.03661	0.5
123.04431	2.2
124.05195	2.0
125.05959	0.6
126.05493	0.9
127.03909	22.0
127.91026	0.3
128.06223	0.9
129.06996	2.6
130.04099	0.7
131.04932	1.1
131.08565	2.9
132.05748	0.5
133.04964	8.3
133.05986	0.4
133.06488	0.8
137.05940	0.5
141.06995	1.5
142.12312	0.4
143.04881	0.8
144.05676	3.4
144.06680	0.4
145.04959	21.3
145.06468	34.4
146.06897	0.4
147.08032	1.2
149.05942	0.5
151.03848	0.4
152.04657	1.4
153.05418	0.7
155.04861	0.5
155.06010	6.5
155.07080	0.5
156.05670	5.8
157.05070	0.4
157.06462	1.7
158.07249	0.7
159.08054	6.0
160.05188	0.8
161.05965	3.2
162.07620	0.6
163.03902	0.7
163.06027	2.5
165.93860	0.3
167.07034	45.0
168.07430	0.5
169.06372	0.6
169.07660	0.7
170.07175	0.4
171.04372	0.3
172.05235	0.7
173.05978	64.6
174.06424	0.6
175.07579	2.1
177.05482	0.9
179.07037	0.5
180.08635	1.1
181.04932	1.9
181.08592	0.9
183.06500	0.5
184.05170	1.5
186.06744	0.6
187.05946	0.8
187.07509	6.4
188.08266	0.5
189.05496	0.5
189.08975	0.4
189.78067	0.4
190.06244	35.5
191.06963	1.9
193.08588	1.9
195.06485	0.6
202.06242	4.8
203.07037	6.9
204.07922	0.6
205.08594	100.0
206.09029	1.0
207.06458	2.2
207.10217	0.6
208.05148	0.7
208.08879	0.5
209.07985	0.6
210.06763	0.8
211.07559	0.4
215.06978	1.4
217.08589	43.9
218.09116	1.0
219.08035	1.2
219.10175	4.0
220.08823	0.4
221.06003	0.5
223.09641	2.9
229.08667	0.6
231.07945	0.9
231.10107	0.7
233.09663	0.6
235.09637	34.5
236.07964	0.6
238.06331	0.5
239.06955	0.4
241.07047	1.2
245.09711	0.6
247.07475	1.3
247.09663	8.5
248.08206	2.0
249.09030	0.6
249.11266	1.3
254.05615	0.5
255.06340	0.4
259.08072	7.8
260.08371	0.5
261.09100	0.7
262.09836	0.7
263.06818	0.4
263.10715	1.1
264.07825	0.9
265.10706	76.2
266.11011	0.9
269.07974	1.5
271.09680	2.4
275.06937	0.8
276.07822	0.8
276.10767	0.5
277.09180	8.4
279.10144	1.6
281.08130	0.6
282.08701	0.5
284.06567	0.6
290.09375	0.7
291.10040	1.8
292.07306	0.6
293.07977	1.4
299.09134	1.0
301.07025	0.5
305.08109	0.8
307.09570	1.6
308.10312	1.2
311.12637	0.7
315.08643	5.3
318.08936	0.6
319.09531	1.3
321.07477	0.7
322.08090	0.4
323.12723	1.4
330.10941	9.8
331.11740	3.7
336.09940	0.6
337.10635	1.1
339.12289	1.5
343.11774	1.1
351.12256	3.8
353.10236	0.9
356.12680	0.7
368.12543	1.0
369.13208	2.2
371.14832	3.3
383.14859	14.9
385.16559	0.7
401.15945	30.5
402.16269	0.8
406.22021	0.7
411.14374	0.7
417.15320	0.7
418.22360	0.9
419.22430	0.5
456.17688	0.4
461.17981	1.1
527.18927	0.4
677.24042	0.4
874.36761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	100.0
67.05872	5.5
68.59583	2.6
69.03438	6.4
69.07072	34.0
69.83984	8.7
71.04993	10.0
79.05499	68.4
81.03431	11.2
81.07060	86.7
83.04976	12.3
83.08614	25.4
85.02893	6.1
85.06559	7.1
89.58733	2.4
91.05485	54.2
93.07051	60.6
95.04983	16.6
95.08607	37.5
97.02924	4.9
97.06525	21.1
97.10171	14.9
98.22747	4.5
99.08089	2.5
105.04489	3.7
105.07040	52.6
107.04935	13.0
107.08604	46.4
109.06551	11.2
109.10181	34.8
111.08131	5.7
117.07054	14.6
119.08580	31.3
121.06528	7.3
121.10143	22.5
123.08060	4.8
123.11716	6.6
125.09615	16.0
127.03967	3.4
129.07059	6.3
131.08549	20.1
133.10144	32.7
135.08075	10.7
135.11716	16.0
137.09630	5.8
141.07045	4.7
143.08595	9.5
145.10127	20.9
147.08118	3.2
147.11655	20.6
149.09645	14.3
149.10680	2.7
149.13258	11.7
155.08577	4.3
157.10141	6.8
159.11699	17.0
161.13266	4.7
163.11189	9.3
169.10124	6.8
171.11745	5.8
173.04404	3.2
173.09685	3.0
173.11926	4.7
173.13295	8.5
177.12740	7.0
183.11682	6.9
184.07381	4.0
185.13232	4.5
187.11290	3.6
187.14819	3.5
189.11212	9.1
195.11688	3.2
195.13806	4.1
197.13324	4.0
205.40692	2.9
206.91934	2.5
211.14868	2.8
220.67697	2.6
227.12769	19.7
229.14357	17.2
229.19530	3.3
239.17976	4.5
255.15851	4.4
257.19101	11.9
269.17496	33.4
270.85590	2.8
275.20084	61.2
293.21249	7.5
296.33560	2.5
349.23761	51.0
367.24701	12.4
409.25964	3.8
423.27350	17.7
449.28986	12.8
463.30502	32.7
469.32947	3.3
503.33759	12.6
519.33386	5.1
525.35657	8.7
527.37146	3.7
527.46466	3.0
529.34961	6.6
543.36841	63.7
561.37805	17.7
607.34900	4.2
623.43170	18.2
641.43811	16.1
715.27570	3.2
726.39594	2.8
874.45819	26.1
875.46887	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	875.4773
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02949	1.7
66.11148	0.4
67.05508	3.5
69.03429	2.9
69.07078	1.9
69.52734	0.5
71.05046	0.6
73.02936	1.8
79.05495	2.6
81.03436	2.1
81.07050	3.0
83.04994	0.8
83.08644	0.6
85.02918	2.1
85.06664	0.5
91.03992	1.4
91.05489	3.2
93.07063	2.8
95.04999	1.6
95.08620	1.0
97.02894	2.5
97.06564	2.0
97.10204	0.6
99.04501	0.7
101.02412	1.0
105.07076	1.9
106.43485	0.5
107.04996	0.7
107.08618	1.4
109.10202	1.4
109.56551	0.4
117.07070	1.0
119.08629	1.4
121.21232	0.5
125.09705	0.6
127.03965	0.8
129.05493	0.5
131.08577	1.0
133.10197	1.8
135.11726	0.5
145.10172	0.8
147.11681	0.5
152.05750	1.6
157.10161	0.5
188.73848	0.5
197.95444	0.5
216.22560	0.6
223.13300	0.8
242.84727	0.5
243.08478	3.0
291.19669	1.0
313.09055	0.6
319.18951	0.7
331.18863	1.0
349.20129	2.1
405.22403	0.7
423.22717	0.5
439.19601	1.3
459.21384	0.6
549.26617	3.5
551.28461	1.0
565.26373	0.6
567.27777	4.7
642.78851	0.6
777.40271	1.3
875.47406	100.0
876.47003	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	877.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	0.6
67.05502	2.0
69.03420	0.8
69.07063	0.8
73.02917	1.0
76.40416	0.5
79.05487	1.3
81.03426	0.6
81.07060	1.2
85.02905	1.1
91.03988	0.9
91.05466	0.9
93.07038	0.7
95.08576	1.2
97.02877	1.2
101.02380	0.7
105.07029	1.1
107.08579	0.7
109.02912	0.7
119.08611	0.5
133.10107	0.7
137.06065	0.5
173.13199	0.6
184.07292	0.8
185.05721	0.5
243.08479	0.6
310.40591	0.5
365.22977	0.6
450.00473	0.5
535.28772	1.8
567.25964	1.0
583.30725	1.5
877.47150	100.0
878.47650	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	877.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	3.0
65.03956	0.4
67.05507	4.3
69.03436	2.4
69.07069	3.4
70.51753	0.5
70.96392	0.2
71.01363	0.3
71.05006	0.9
73.02926	2.8
79.05495	3.6
81.03406	1.7
81.07063	3.6
83.04977	0.7
83.08651	0.6
85.02907	2.7
91.03957	1.7
91.05492	3.1
93.07042	2.6
93.48449	0.2
95.04966	1.4
95.08608	1.5
97.02894	2.8
97.06544	2.2
97.10175	0.7
98.23515	0.2
99.04494	0.6
101.02408	1.1
105.07021	1.2
107.04945	0.3
107.08601	1.7
109.02901	0.3
109.06531	0.6
109.10190	1.0
110.87866	0.3
115.07561	0.2
115.27593	0.2
117.07027	0.6
119.08640	0.8
121.10181	0.7
125.09729	0.2
127.03972	0.9
129.05481	0.3
131.08624	0.8
133.10182	0.9
135.08046	0.3
135.11729	0.7
137.09644	0.3
145.10181	0.7
149.09776	0.3
149.13379	0.3
185.04349	0.8
201.03816	0.3
203.05283	0.6
241.07011	0.4
243.08447	3.0
259.08014	0.3
301.09109	0.6
315.10623	0.3
333.20444	1.3
349.19879	3.5
373.10800	0.4
389.22916	0.3
405.22510	0.5
413.17807	0.4
428.03876	0.2
439.19470	1.8
453.21024	1.4
464.38315	0.3
469.20401	0.4
551.28333	4.5
567.27808	4.6
569.29584	0.7
585.28979	0.4
623.30695	0.3
639.30139	0.3
673.33850	1.0
689.31757	0.9
877.49158	100.0
878.49347	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	877.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.8
65.03923	0.3
67.05506	4.1
69.03424	2.3
69.07076	2.7
71.01364	0.5
71.05012	0.9
73.02927	2.3
77.84000	0.3
79.05502	3.6
81.03429	1.8
81.07065	4.8
83.05003	0.4
83.08631	0.6
85.02906	3.2
91.03972	1.4
91.05486	3.0
93.07045	3.1
95.04990	1.3
95.08604	1.5
97.02903	2.8
97.06561	1.2
97.10194	0.7
99.04491	0.6
101.02398	1.2
105.04575	0.6
105.07049	2.1
107.04964	0.5
107.08569	1.5
109.02924	0.3
109.06552	0.4
109.10186	0.7
111.04379	0.3
111.08092	0.6
117.07040	1.0
119.08615	1.1
121.10199	0.7
123.08112	0.4
125.09660	0.7
127.03948	1.0
129.07021	0.5
131.08557	1.4
133.10191	0.7
135.11748	0.7
145.10161	0.4
147.11691	0.4
149.09660	0.4
159.11836	0.5
161.13269	0.5
163.11060	0.3
174.24687	0.3
177.12845	0.3
184.07436	1.3
185.04320	0.7
243.08392	2.9
261.14819	0.4
288.78528	0.4
313.08978	0.5
315.10428	0.3
333.17007	0.3
333.20526	1.2
349.19873	2.6
349.23651	0.3
356.13190	0.3
365.70233	0.3
379.84357	0.3
405.22696	0.4
438.67770	0.3
439.19733	1.0
453.21103	0.9
479.22604	1.2
549.27252	0.6
551.28290	4.6
567.27777	3.6
569.29559	0.7
585.29010	0.5
689.31616	1.2
789.43842	0.9
877.49158	100.0
878.49677	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	877.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.4
67.05511	6.9
69.03445	1.7
69.83868	0.6
71.01344	0.8
73.02928	2.7
79.05506	2.8
81.03438	1.5
81.07064	2.6
83.08624	0.8
85.02908	4.2
91.03960	2.2
91.05495	2.3
93.07059	2.5
95.04982	0.7
95.08623	1.7
97.02887	3.7
99.04469	1.1
101.02412	2.0
105.07061	2.4
107.08609	1.7
109.10163	4.7
117.07056	0.7
119.08626	2.2
121.10195	0.8
127.03931	1.3
129.05551	0.9
133.10225	1.0
143.08505	0.8
147.11757	1.5
173.11743	1.8
185.04286	1.2
195.09949	0.7
229.14384	1.2
238.52414	0.6
243.08369	3.1
251.02956	0.7
301.08939	3.1
315.10641	1.0
373.11127	0.8
383.88498	0.6
385.18417	1.9
410.15656	0.7
413.17883	11.9
429.17703	1.1
465.21039	1.2
469.20554	0.6
485.19763	1.1
525.23145	4.9
535.28754	7.3
569.28864	0.9
594.30048	1.0
607.31067	1.8
609.32837	2.0
635.34863	0.7
707.39758	100.0
708.40057	5.3
735.42828	2.8
763.42285	3.5
877.49384	21.0
878.48962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.5
65.03920	1.6
67.05494	1.3
69.03429	5.1
69.67989	1.9
71.01371	0.9
71.04987	1.0
73.02908	2.7
77.03916	0.8
79.05491	1.9
81.03410	6.5
85.02904	20.5
87.04473	5.8
91.05471	3.4
93.07043	0.9
94.04177	1.4
95.04984	3.8
97.02903	6.1
97.06538	0.9
99.04474	1.2
103.03947	22.4
103.05459	17.1
103.05978	0.4
105.03414	0.9
105.07008	2.9
106.04242	0.7
107.04939	4.3
108.02119	0.9
109.02857	2.7
109.06516	1.2
111.04404	1.4
115.03931	17.3
115.05405	4.1
117.07037	3.9
118.04146	2.8
119.04961	3.8
119.08564	1.1
121.06481	1.8
122.03618	3.8
123.04440	1.5
124.05226	0.7
125.05988	1.9
127.03927	5.5
129.07008	1.9
130.04128	1.2
131.04932	35.6
131.08487	0.9
133.02888	3.2
133.04982	4.1
133.06496	4.0
135.08086	1.8
137.05978	76.5
138.06287	0.9
141.05405	1.4
141.06996	1.9
143.04929	3.0
144.05588	0.6
145.05005	4.6
145.06467	6.6
146.03625	1.0
147.04393	5.0
147.08051	1.5
148.02531	0.7
148.05199	7.1
149.05971	3.8
151.03908	71.0
151.04990	5.3
151.07553	1.9
153.05463	3.7
155.06044	0.9
157.04955	3.0
157.06464	2.5
159.04413	1.0
159.08061	1.4
160.05196	3.0
161.05977	6.7
163.03876	1.3
163.07549	28.5
165.05469	2.9
167.07033	11.8
169.06503	2.4
171.04440	2.0
171.06464	0.8
172.05182	0.9
173.05972	6.6
173.42032	0.6
174.06761	0.8
175.06023	2.8
175.07513	13.9
175.14926	0.8
176.04663	3.4
177.05441	6.3
177.09206	1.4
179.07027	11.6
179.08585	0.6
180.76614	0.7
181.04955	19.6
185.05978	1.3
187.07553	7.6
189.05460	3.0
189.07445	0.5
189.09084	3.6
190.06244	2.2
191.07028	100.0
192.07559	0.8
193.04929	1.7
193.08618	1.7
195.06543	1.1
197.05962	2.7
200.04723	0.6
201.05469	1.0
201.09056	2.3
203.07024	12.2
204.99550	2.2
205.06676	1.2
205.08580	13.3
207.06412	1.2
207.10110	1.4
209.06345	0.7
209.08061	3.6
211.07547	1.6
215.07037	5.6
217.07024	11.1
217.08740	2.7
219.08220	1.1
219.10178	1.7
221.08046	0.9
222.06625	0.6
223.09531	1.0
225.05429	0.8
227.07016	1.2
229.08589	8.7
231.06573	2.7
233.06165	0.7
233.08058	19.5
234.06697	1.2
234.08838	0.7
235.07712	1.2
235.09691	9.3
237.09151	1.9
238.69142	0.7
239.06999	1.9
245.08102	2.5
247.07593	0.7
247.09760	1.3
249.09195	1.2
251.00005	2.4
251.07007	0.8
257.08078	13.6
259.07999	1.8
262.06183	0.8
263.09155	17.3
265.08487	1.2
265.10739	4.5
267.10226	1.1
275.09183	9.9
277.08740	1.5
278.09134	0.8
281.11722	0.8
291.10083	1.1
293.10278	6.7
295.09695	2.1
297.11307	1.6
299.12628	0.7
307.09546	1.3
309.11078	1.1
311.11301	1.5
325.10593	1.5
327.12286	2.6
329.13855	1.3
333.51669	0.6
337.10709	1.4
339.12250	2.4
341.13770	1.7
351.12119	1.4
353.13782	1.7
355.11774	6.6
357.13226	2.1
359.14914	1.6
369.13412	5.7
371.14880	4.0
385.16437	2.7
387.14371	66.6
388.14523	1.1
388.21027	1.8
389.12119	4.4
407.13394	13.4
425.14749	1.5
464.26724	0.7
507.11038	3.1
517.18146	2.0
549.20972	3.6
663.22729	0.8
878.34625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.8
65.03937	2.3
67.05496	2.3
69.03430	7.7
71.04964	1.5
73.02908	4.3
77.03931	1.3
79.05479	1.8
81.03418	7.5
85.02908	22.5
87.04480	6.0
91.03946	1.0
91.05487	4.8
93.03400	0.8
93.07056	0.9
94.04185	1.0
95.01326	0.9
95.04959	4.1
97.02891	6.5
97.06528	1.0
98.22697	1.7
103.03950	27.5
103.05465	19.9
105.03362	0.8
105.07030	3.7
107.04970	4.6
107.36651	0.7
108.02075	1.0
109.02882	3.1
109.06506	2.3
114.28692	0.7
115.03934	19.3
115.05433	4.3
117.07029	3.6
118.04151	2.8
119.04951	4.8
121.06527	1.9
122.03621	3.9
123.04421	2.7
124.05215	0.9
125.05980	1.6
127.03888	5.9
129.06979	2.5
131.04926	39.6
132.05699	0.9
133.02873	4.9
133.05006	3.6
133.06477	5.2
135.04414	1.4
135.08054	1.8
136.01540	0.8
137.05981	85.1
138.06339	0.9
141.05476	1.4
141.07027	2.2
143.04939	3.6
144.05701	1.8
145.05013	5.7
145.06473	7.6
146.03676	1.2
147.04396	7.2
147.08073	1.1
148.05199	9.2
149.05988	4.7
150.97687	0.7
151.03911	75.7
151.04999	5.3
151.07527	2.5
152.04181	0.8
153.05467	3.1
155.04974	1.1
155.06030	1.1
157.04971	3.5
157.06503	2.3
159.04388	2.0
159.08099	1.6
160.05177	3.4
161.05974	8.1
161.09660	0.9
162.06721	1.1
163.07552	30.9
165.05476	3.2
167.07056	13.4
169.06491	3.3
171.04402	2.7
171.06578	0.9
172.05252	1.1
173.06015	8.1
174.06731	1.6
175.06013	4.1
175.07561	15.4
176.04701	2.4
177.05447	5.6
177.09149	2.4
179.07040	11.5
181.04962	20.5
181.08583	1.1
183.04346	1.1
185.05943	0.9
187.07562	10.4
188.04720	1.3
188.08409	0.9
189.05460	2.3
189.09126	2.7
190.06229	2.2
191.07036	100.0
193.08597	1.3
195.06618	1.1
197.06046	3.8
199.05872	1.3
199.07619	1.2
201.05392	1.0
201.09148	2.7
203.07048	14.9
205.06709	1.2
205.08615	11.1
207.06441	1.1
207.08215	1.1
207.10123	1.6
209.08087	3.1
211.07503	0.9
214.06128	0.7
215.07043	8.1
217.06848	9.3
217.09027	4.6
218.07370	0.7
219.06427	0.9
219.10124	1.8
221.07985	1.3
222.18573	0.7
223.09647	1.7
225.05547	1.2
225.09038	0.9
227.06949	1.1
229.08627	9.4
231.06470	3.7
233.08078	23.4
235.07645	1.4
235.09708	8.0
237.09149	1.9
239.07045	1.3
239.10739	1.0
241.08659	0.9
245.08040	1.0
247.09654	2.2
249.09120	2.4
251.07072	0.9
257.08072	15.5
259.07852	1.6
263.06699	1.3
263.09158	15.1
264.09317	0.7
265.08481	1.6
265.10791	4.5
267.10132	1.7
269.08066	1.0
275.09201	9.5
277.08755	2.4
279.10385	0.9
281.07837	1.0
281.11667	0.7
293.10233	8.8
295.09763	2.2
297.11047	0.9
299.09204	0.8
299.12659	1.0
300.09882	0.9
307.09515	1.2
309.11099	1.6
311.12347	1.3
321.11212	1.5
325.10843	0.8
325.14661	1.0
327.12216	2.9
329.13791	1.6
337.10764	1.2
339.12079	3.9
341.13794	1.8
351.12256	1.5
353.13889	1.3
355.11795	6.0
357.13278	1.6
359.14740	1.7
369.13254	5.2
371.14920	4.2
385.16412	2.8
387.14374	58.5
388.21194	2.1
389.12219	5.1
407.13409	15.1
425.14825	1.4
517.18585	2.2
521.22144	1.0
549.21558	3.3
663.22565	1.8
777.25885	0.8
783.00769	0.9
878.35919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.9
66.82755	0.5
67.05515	5.2
69.03439	2.1
69.07074	3.5
73.02922	2.3
79.05491	2.8
81.03429	2.1
81.07051	4.5
83.05000	1.1
83.08618	0.8
85.02901	4.0
91.03974	1.3
91.05495	2.0
93.07049	2.7
95.04990	1.1
95.08617	1.4
97.02911	2.9
97.10185	1.1
101.02373	1.0
105.07048	1.8
107.08608	2.0
109.02911	0.9
109.10172	1.7
119.08568	1.2
125.09679	0.8
133.10153	1.1
135.11702	0.7
145.10129	0.9
147.11697	0.7
159.11594	0.6
180.86342	0.6
243.08426	3.9
272.41119	0.5
329.76834	0.6
333.20621	1.7
351.21555	1.9
373.19672	0.6
377.34622	0.6
387.12823	0.8
413.17953	0.9
415.19580	0.6
439.19901	0.9
447.21402	0.6
453.21616	0.8
551.28424	5.9
557.40033	0.6
569.29407	8.0
702.07172	0.5
879.50726	100.0
880.51337	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	880.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.4
64.12973	0.2
66.17019	0.3
66.36359	0.3
67.05507	8.2
69.03428	1.2
69.07071	3.9
69.28394	1.3
71.01346	0.6
71.05008	1.2
71.08636	11.2
73.02928	2.4
75.50470	0.2
79.05495	6.4
81.03421	5.4
81.07060	11.7
83.01335	3.4
83.04547	0.3
83.04984	4.5
83.08621	8.1
85.02911	9.8
85.06525	0.4
85.10186	6.8
89.06007	0.7
91.03960	5.7
91.05482	3.6
93.07049	9.0
95.04970	3.1
95.08610	10.8
96.04481	0.5
97.02354	0.3
97.02904	4.7
97.06545	1.7
97.10182	2.4
99.04460	1.7
99.08102	0.3
103.05536	0.2
103.07529	0.7
104.96658	0.3
105.04514	0.3
105.06476	0.2
105.07032	3.0
107.04951	3.7
107.07924	0.4
107.08592	5.3
109.02866	0.4
109.06510	2.3
109.10159	5.0
111.04423	1.1
111.08091	0.7
111.11702	0.9
114.52077	0.3
115.03922	0.5
117.07016	2.6
119.07868	0.3
119.08589	3.5
121.06497	1.3
121.10149	3.4
123.08067	3.8
123.11686	1.8
125.05969	0.6
125.09564	0.7
125.13216	0.3
127.03918	2.5
129.05463	0.3
129.07001	0.6
130.07770	0.6
131.08609	1.2
133.10092	0.7
135.08029	0.7
135.10771	0.5
135.11700	6.4
137.09595	0.7
137.13245	0.8
139.07520	0.4
143.08519	0.3
145.04967	3.2
145.06400	0.4
145.10133	7.5
147.08040	1.0
149.09566	0.3
151.14803	0.4
153.12747	1.6
155.08527	0.6
163.06032	3.9
163.11189	12.6
173.09599	1.6
181.12201	1.9
183.58374	0.3
189.07628	0.3
191.10739	1.3
209.11722	4.2
219.78105	0.2
227.12801	2.6
239.23674	1.1
257.24698	1.4
283.15405	100.0
284.15765	1.6
313.27368	71.2
314.27679	1.0
521.38403	53.0
522.38641	1.5
633.29272	0.3
708.40332	0.8
710.41479	0.6
880.50238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.8
65.03917	0.6
67.05505	10.3
69.03395	1.3
69.07068	7.5
71.04950	1.9
71.08630	14.2
71.90498	0.5
73.02878	1.8
77.03961	0.5
79.05498	12.2
81.03379	1.9
81.07056	15.3
83.04939	2.1
83.08620	9.2
85.02907	4.9
85.06503	0.8
85.10187	8.8
89.06007	1.1
91.03916	1.9
91.05470	4.6
93.07043	18.2
95.04979	3.4
95.08607	28.4
97.02889	4.1
97.06484	1.9
97.10173	3.9
99.04476	2.6
99.11714	0.6
103.07554	0.5
105.07020	4.2
107.04949	3.9
107.08595	13.3
109.06553	0.9
109.10165	7.7
111.04379	1.1
111.08058	0.6
111.11712	0.6
117.06305	0.5
117.07012	4.3
119.07904	0.6
119.08579	6.6
121.06508	3.7
121.09412	0.5
121.10144	7.9
123.11715	2.8
125.05939	2.1
127.03873	0.6
129.06987	0.6
130.07758	1.1
133.10069	1.5
135.07974	1.5
135.11694	30.8
137.13115	0.7
139.07487	0.7
145.04855	0.8
145.08978	1.0
145.10121	19.0
153.12692	0.8
163.05928	1.4
163.11179	43.9
173.09691	1.0
181.12225	8.6
209.11629	1.8
227.12773	47.7
228.13179	0.5
239.23720	1.0
257.24698	2.0
283.15390	94.5
284.15695	1.7
313.27356	86.4
314.27667	0.8
365.59515	0.5
475.92902	0.5
521.38385	100.0
522.38568	2.2
708.40723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	7.3
63.45662	0.6
65.50484	0.6
67.05505	18.6
67.05865	1.0
69.03426	3.6
69.07072	16.9
69.34369	1.4
69.34772	2.4
71.04991	2.8
71.08620	1.6
73.02920	2.8
77.03977	0.7
79.05493	12.9
81.03419	29.4
81.07056	23.8
83.04976	6.6
83.08622	18.1
85.02903	18.1
85.06524	1.4
85.10180	0.8
85.89878	0.5
91.03943	4.8
91.05481	13.4
93.07045	11.9
95.04973	10.9
95.08603	13.2
97.02894	5.1
97.06532	2.0
97.10175	6.6
99.04475	0.8
99.08093	1.6
105.06337	1.0
105.07026	8.6
107.04999	3.1
107.08591	6.9
109.02862	0.9
109.06515	2.1
109.10165	5.0
111.04449	1.7
111.08082	6.5
111.11697	1.7
113.05952	1.1
117.07042	1.2
118.83244	0.6
119.08585	9.1
121.06493	1.0
121.10128	8.3
123.08085	1.7
123.11694	2.4
125.09571	1.0
127.03933	1.9
128.06178	0.9
129.06989	4.5
131.08582	6.1
133.06419	0.8
133.10150	5.4
135.11685	4.5
137.09634	1.4
137.13240	1.4
139.11176	1.1
145.04979	2.6
145.10155	1.2
147.08052	1.3
147.11702	8.5
149.09636	2.7
149.13272	2.5
157.10144	6.8
163.06058	2.7
163.11220	1.0
165.12778	1.6
175.11189	7.2
193.12228	22.9
211.13290	40.3
212.13765	0.7
215.08076	0.6
219.21120	1.1
237.22223	1.0
267.15906	13.0
279.37653	0.6
285.16968	55.6
311.25800	53.4
312.26230	1.1
364.84647	0.7
503.37329	10.9
509.92337	0.7
521.38391	100.0
522.38727	2.7
540.08606	0.8
854.40454	0.7
880.48602	11.6
910.52838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.2
67.05476	1.4
67.92983	1.1
68.99776	10.0
70.04060	2.4
70.06602	1.4
77.03928	1.9
81.03411	3.7
83.04976	1.6
85.02896	1.3
89.03926	2.7
91.05482	1.0
93.03410	1.6
95.04975	2.6
105.03394	1.0
107.04945	6.4
109.02887	4.3
111.00793	8.9
111.04436	9.0
112.16689	1.1
117.03378	1.3
118.33750	0.8
119.04942	1.9
122.03657	1.8
123.04427	56.2
125.06015	0.9
127.03914	100.0
128.04269	1.2
131.04942	2.9
133.02904	1.0
135.04411	67.6
137.02348	6.9
137.03296	1.4
137.05972	36.8
139.03894	59.7
143.04971	1.6
145.02823	1.4
145.06528	1.5
147.04391	11.4
149.02338	8.3
149.05968	7.2
149.71980	1.0
151.03896	18.2
153.05495	1.5
153.07042	1.3
155.03537	1.1
155.04909	2.1
157.06519	1.2
159.04404	4.1
161.02370	2.0
161.05989	4.6
163.03896	68.3
165.01968	0.9
165.05501	2.0
167.03395	4.5
169.05005	2.9
169.06467	1.6
173.05965	4.6
175.03961	4.7
177.05479	14.8
179.03397	11.9
179.07021	1.8
181.05009	2.0
181.06485	2.0
183.04449	3.2
185.05948	1.8
187.03865	7.3
189.05470	2.9
191.03380	13.3
193.04955	2.6
197.05997	3.5
199.03859	1.3
201.05482	12.5
203.03372	17.8
203.07022	2.2
205.04956	3.2
213.05496	4.1
215.03421	3.8
215.07011	3.4
217.04970	3.0
219.06392	1.5
223.02362	1.4
225.05446	3.9
229.04932	14.0
231.02827	1.6
231.06537	2.4
233.04362	4.9
235.02377	1.1
237.05460	1.6
239.03400	1.1
241.04977	3.9
243.06412	5.3
245.04446	74.3
246.04745	1.2
247.06012	61.2
253.04994	3.3
255.06541	5.5
257.04453	20.0
258.05139	1.6
259.06015	13.6
261.07614	5.7
263.05539	1.9
265.04898	1.4
267.06512	1.1
269.04504	4.9
271.05975	30.6
273.03961	1.3
273.07614	1.3
274.04773	4.5
275.05466	25.2
279.06390	1.1
281.04532	3.0
281.89880	1.1
283.06009	12.4
285.03976	3.5
285.07550	2.9
286.04877	1.3
287.05469	26.5
289.07043	40.8
293.04742	1.4
295.06085	3.6
297.03955	2.8
297.07645	1.3
299.05469	6.4
301.07056	18.5
305.10202	17.5
307.05978	2.3
309.03903	3.1
311.05453	2.4
313.06964	2.5
317.10150	2.5
321.04022	1.3
321.07697	1.8
323.05435	3.3
331.08206	3.3
349.07248	1.5
351.04868	3.7
361.06903	2.5
365.06387	2.5
377.06641	2.7
379.08093	4.1
383.07745	6.9
389.06375	2.0
390.23059	1.2
391.08157	3.4
393.05954	6.8
395.07648	2.0
397.09152	10.0
405.05911	4.4
407.07590	28.4
409.09198	21.8
411.10779	1.5
419.07761	6.1
421.09161	3.6
423.11053	7.7
425.08206	11.5
427.10309	15.3
433.09204	2.8
437.08691	11.4
439.10089	4.1
441.11743	3.6
447.10605	1.2
449.08563	3.0
451.10236	4.4
453.11981	1.3
517.11316	5.0
527.09711	3.1
535.12219	3.7
541.11591	2.3
545.10565	6.2
559.12500	5.4
571.11823	2.2
577.13318	3.2
585.13513	2.1
593.16187	3.5
693.15552	2.4
711.17084	5.7
729.17639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.5
67.05496	0.9
68.99785	7.0
69.33350	3.5
69.50076	0.8
73.62358	0.7
73.79948	0.7
75.21927	0.7
77.03899	0.9
77.28632	0.7
79.05512	0.8
81.03419	3.5
89.03908	2.1
91.05515	1.3
93.03405	2.5
95.04962	1.7
99.04437	1.1
105.03387	1.5
107.04951	5.9
109.02885	3.2
111.00150	1.2
111.00797	6.4
111.04440	6.0
112.17537	0.8
115.05473	1.2
117.03411	0.8
119.04901	1.9
121.02843	1.4
122.03654	1.1
123.04426	45.3
126.62370	0.7
127.03912	100.0
131.04938	1.9
135.04411	52.2
137.02339	3.5
137.05022	0.7
137.05971	30.2
139.03894	56.4
143.04970	1.1
145.02779	1.3
145.06476	1.2
147.04391	8.7
149.02333	6.2
149.05991	4.6
151.03897	14.6
155.04906	1.5
159.04390	4.0
161.02374	1.2
161.06021	4.4
163.03903	55.1
165.05479	2.0
167.03392	5.1
169.05003	1.2
169.06497	1.8
173.05977	4.2
175.03868	3.9
177.05475	9.2
179.03383	8.7
179.07059	2.2
181.04977	1.8
181.06512	1.2
183.04407	1.5
185.05994	2.3
187.03885	8.2
187.07530	1.2
189.05487	2.2
191.03384	10.2
193.05002	2.6
195.04437	0.9
197.05969	5.1
197.42599	0.9
200.04648	0.9
201.05467	8.9
203.03362	10.6
203.07060	2.7
205.04979	3.2
213.05464	2.9
215.03398	3.4
215.07030	3.2
217.04924	2.7
219.06635	0.9
223.02295	1.4
225.05527	2.9
227.03392	1.0
227.06912	1.5
229.04932	10.6
231.06508	3.0
233.04440	3.8
235.02318	1.0
237.05383	1.5
241.04866	2.2
243.06595	4.7
245.04445	44.9
247.06013	49.8
248.06247	1.0
253.04942	3.4
255.06546	2.5
257.04416	15.4
258.05127	1.8
259.05981	10.4
259.08475	0.9
261.07495	4.1
263.05560	1.6
265.05008	2.0
267.06503	0.9
269.04346	4.7
271.06000	28.7
273.07538	1.4
274.04803	1.6
275.05487	17.5
278.05728	0.8
281.04413	2.7
283.06009	12.7
285.03958	1.4
285.07376	0.8
287.05511	23.8
289.07056	35.3
295.06012	2.3
297.03958	2.0
299.05389	8.0
301.07031	14.5
303.08826	1.1
305.10193	19.2
307.06082	1.2
309.03943	2.1
311.05582	2.3
313.07062	2.4
317.10446	1.6
321.07385	1.2
323.05588	2.8
331.08139	1.3
335.05490	0.9
351.04980	2.9
361.06992	1.0
365.06573	2.2
377.06631	1.6
379.08020	2.7
381.09555	1.0
383.07553	4.0
389.06354	1.8
391.08011	1.8
392.24228	1.7
393.06140	3.9
395.07611	1.6
397.09082	5.3
401.06213	1.0
405.05719	5.3
407.07617	19.9
409.09146	25.7
417.06030	1.1
419.07642	3.8
421.09247	2.7
423.10809	8.5
425.08112	10.6
425.13272	1.3
427.10233	16.2
433.09106	2.8
435.10913	1.2
437.08731	7.0
439.10388	3.0
441.11743	4.3
449.07693	1.5
449.12964	1.7
451.10049	4.4
453.11682	1.2
467.13943	1.0
517.11176	3.0
527.09827	3.0
529.11572	1.1
535.12518	1.9
541.10913	1.9
545.10663	4.6
559.12390	4.1
571.12238	1.3
577.13080	2.8
585.14130	1.2
593.16547	6.6
679.13947	0.9
693.15381	2.2
711.16815	4.2
713.18115	1.1
729.17291	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	881.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.8
67.05519	1.2
68.99785	8.3
69.49704	3.5
70.06597	2.0
72.08148	1.0
76.84692	0.7
77.03941	1.1
81.03412	3.9
86.09683	0.9
89.03928	2.9
91.05476	1.2
93.03415	4.2
95.04433	1.0
95.04932	3.9
103.05466	1.0
105.03396	1.0
107.04957	7.5
107.14746	0.7
109.02870	3.6
110.07172	0.8
110.31425	0.7
111.00790	7.9
111.04449	13.6
117.03404	1.7
119.04984	1.3
121.02900	1.4
121.06505	1.0
122.03661	1.4
123.04429	67.0
127.03915	100.0
129.07008	1.0
131.04951	2.8
135.04411	75.8
136.04762	1.0
137.02380	5.2
137.05977	40.6
139.03900	76.4
140.04266	0.7
141.07016	1.3
143.04930	1.1
145.02914	1.3
145.06436	1.0
147.04404	12.5
149.02342	10.5
149.05962	6.9
151.03906	25.4
152.06186	0.9
153.05490	1.7
155.04938	2.0
157.06549	1.5
159.04445	5.6
161.05981	3.4
163.03903	65.5
165.01874	0.9
165.05502	3.4
165.51128	0.7
167.03426	6.3
169.05049	1.4
169.06468	2.1
173.05956	5.5
175.03929	3.4
175.07538	1.5
177.05481	11.9
177.48273	0.9
179.03381	8.0
179.06982	3.4
181.05025	1.7
181.06464	1.4
182.13171	0.9
183.04385	2.0
185.05986	2.6
187.03897	8.7
187.07639	0.9
189.05544	3.7
191.03392	11.0
193.04958	3.5
197.05992	4.2
201.05467	8.9
203.03366	14.2
203.06996	2.7
205.04980	3.5
213.05548	4.3
215.03429	4.3
215.07048	4.5
217.04941	2.8
219.06599	1.8
221.08032	1.3
223.02307	1.0
225.05455	2.5
227.07016	1.1
229.04959	12.7
231.06502	4.8
233.04407	5.4
237.05498	1.0
241.04932	4.3
243.02966	1.0
243.06525	6.7
245.04453	94.4
247.06013	55.1
253.04951	3.0
255.06560	2.7
257.04449	18.8
258.05115	1.4
259.06024	11.8
261.07510	7.0
263.05630	1.0
269.04498	5.4
271.05994	25.8
273.07413	1.0
274.04779	4.1
275.05484	26.6
281.04514	0.9
283.05966	10.0
285.03931	2.6
285.07547	1.1
286.04565	1.0
287.05481	25.9
289.07047	53.5
291.08725	1.3
295.06100	1.5
297.04016	1.2
297.07507	1.1
299.05606	7.1
299.08777	1.2
301.07068	13.0
303.05170	1.0
303.08521	1.2
305.06839	1.6
305.10196	26.5
306.10617	1.0
309.03888	1.6
311.05530	1.6
313.07117	1.6
317.10483	1.1
323.05600	1.8
331.08218	0.8
345.07767	0.9
351.04709	1.7
361.07254	1.8
363.08475	1.1
365.06488	2.2
377.06586	1.5
379.08020	3.6
383.07712	1.0
389.06528	2.6
391.08185	2.2
393.06140	4.3
397.09192	11.0
401.06763	1.0
405.05969	2.9
407.07574	34.9
408.07663	1.6
409.09152	19.0
418.22098	2.7
419.07526	4.4
421.09030	3.5
423.10806	8.5
425.08167	10.2
425.13651	1.6
427.10217	15.2
433.08997	1.4
437.08643	11.2
439.10016	2.9
441.11661	4.6
449.07642	1.4
449.13031	1.6
451.10226	2.7
453.11856	1.7
464.22919	1.1
467.13251	2.6
521.46588	1.0
527.09576	1.0
535.11981	1.6
541.11322	1.9
545.10553	3.3
559.12390	4.1
571.12152	0.9
575.15143	1.1
577.13306	1.7
593.16382	7.1
632.02405	1.0
693.16168	1.0
697.14349	1.4
711.17078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.5
67.05502	0.6
68.99779	6.9
69.03428	0.8
70.06583	1.3
72.68977	0.4
74.98906	0.5
77.03925	1.0
79.05476	1.0
81.03419	1.9
81.07015	0.5
82.10307	0.5
83.04979	0.8
89.03897	1.0
91.05473	1.2
93.03389	1.7
95.04964	2.3
98.22639	1.3
103.05487	0.7
105.03387	0.9
105.04494	0.8
107.04967	3.6
109.02876	1.3
111.00799	9.1
111.04435	6.9
117.03372	1.7
119.04917	1.3
121.02839	1.5
122.03592	1.0
123.04423	47.6
127.03909	44.7
131.04932	1.5
135.04408	45.7
137.02342	3.1
137.05974	23.9
139.03889	38.9
143.04906	0.9
145.02841	0.9
145.06476	1.0
147.04391	7.4
149.02344	7.5
149.05971	9.5
151.03891	14.2
153.01872	0.7
153.05472	1.1
155.04942	1.7
157.06451	0.9
159.04430	2.6
161.02312	0.7
161.05949	3.3
163.03894	49.2
165.01843	0.9
165.05495	4.6
167.03377	2.6
169.04974	1.5
169.06444	1.1
171.04408	0.6
173.05966	2.3
175.03938	4.3
175.07646	1.0
177.05464	17.7
179.03377	7.7
179.06947	1.1
181.04945	2.6
183.04402	1.6
185.06010	1.3
187.03889	5.9
189.05502	3.3
190.02539	1.1
191.03372	11.9
193.04984	1.6
197.01189	1.1
197.05965	2.8
201.05493	6.6
203.03381	13.7
203.05273	1.0
203.07031	1.3
205.04942	3.6
212.32019	0.6
213.05411	3.3
215.03381	3.9
215.07034	2.1
216.04123	0.6
217.04979	3.5
219.06505	1.1
220.54126	0.6
221.08046	0.8
223.02380	1.6
225.05400	1.1
227.03381	0.9
227.06905	0.7
229.04936	10.8
231.06467	2.2
233.04387	4.7
235.02136	0.7
237.05438	1.2
241.04930	3.8
243.02881	1.2
243.06488	4.2
244.03665	1.0
245.04440	100.0
246.04706	1.5
247.06004	52.4
251.05492	1.0
253.04877	1.5
255.06435	2.0
257.04431	16.3
258.05164	2.0
259.05997	9.6
261.07516	3.4
263.05515	1.5
265.04877	1.4
267.06497	0.7
269.04413	4.9
270.05115	0.8
271.05988	20.0
273.03839	1.0
273.07584	1.0
274.04736	5.4
275.05460	25.6
281.04370	2.2
283.05911	7.0
285.03860	2.8
285.07529	1.9
286.04596	0.8
287.05478	20.3
289.07034	27.3
293.04935	0.7
295.05905	1.2
297.04007	1.6
297.07275	0.7
298.62897	0.6
299.05591	5.0
301.07022	9.0
303.04941	1.5
303.08563	1.2
305.10245	7.9
307.05902	1.3
309.03876	1.5
309.07480	0.8
311.05450	1.9
313.06992	1.1
317.10425	0.6
319.05728	0.6
321.04016	0.9
323.05478	2.7
331.08246	1.1
331.11835	1.6
333.07590	1.5
337.06909	0.8
349.07111	1.1
351.04987	2.1
361.06937	3.0
363.08432	0.7
365.06387	1.7
373.06802	1.0
377.06693	1.6
379.08118	4.0
381.09808	0.8
383.07712	2.9
389.06488	2.5
391.08185	1.3
393.05841	4.0
395.07605	1.6
396.08408	1.3
397.09125	12.1
401.06717	0.9
405.05579	2.8
407.07562	30.5
408.08130	0.9
409.09146	12.9
419.07605	5.3
421.09058	4.3
423.10754	4.6
425.08389	10.0
427.10223	10.8
431.07437	0.8
433.09286	2.8
437.08627	14.2
439.10168	2.3
441.11713	1.6
449.08493	2.4
451.10263	4.4
465.11823	1.2
509.02478	2.6
517.11365	1.2
527.09344	1.0
535.12146	2.1
541.11383	2.8
545.10760	3.0
559.12195	4.5
563.11700	0.9
577.13104	2.3
589.13550	0.8
593.16168	2.1
603.14795	0.7
693.15259	1.2
711.16608	2.5
729.17450	1.4
816.50720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
84.63794	0.7
90.32744	0.9
108.50254	0.9
109.55383	0.8
149.05751	6.1
151.03703	0.9
198.08943	1.0
267.01453	0.9
274.14435	7.8
302.13736	4.7
324.12042	2.8
325.12964	2.5
368.92770	0.8
424.17349	5.9
434.15778	1.3
452.16818	100.0
453.17157	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96268	0.1
67.05507	0.4
68.05024	0.2
69.03435	1.2
70.06596	1.5
71.05004	0.2
71.44142	0.1
73.06564	0.1
79.05491	0.6
80.05014	0.5
81.03420	0.1
81.07051	0.5
82.06561	0.2
83.04993	0.1
84.08140	0.5
85.02900	0.3
91.05473	0.7
93.07045	0.6
94.06584	0.7
95.05001	0.2
95.08606	0.5
96.08156	0.7
97.06521	0.2
99.04453	0.3
100.07646	0.2
105.07032	0.5
106.06548	0.2
107.08597	0.4
108.08122	0.5
109.06496	0.2
109.08908	0.2
109.10166	0.1
110.09689	0.4
111.08096	0.2
113.30703	0.1
116.91364	0.1
117.07027	0.3
119.08549	0.6
120.08108	0.5
121.06499	0.2
122.09666	1.6
124.11256	0.3
125.05990	0.3
127.03917	0.3
129.07016	0.2
131.08562	0.3
132.08121	0.2
133.10033	0.2
134.09662	0.6
135.08035	0.2
136.11238	0.7
137.02301	0.2
137.05927	0.2
138.09128	0.1
142.07738	0.1
143.08574	0.3
145.10100	0.2
146.09616	0.2
147.08109	0.2
147.11693	0.2
148.11177	0.4
149.05986	0.2
149.09534	0.2
150.09122	1.5
152.10681	0.2
153.05420	0.1
154.12294	0.2
155.03394	0.4
155.07138	0.2
159.08099	0.2
161.09639	0.3
162.12782	0.5
163.07553	0.2
164.10721	0.2
164.14380	0.4
165.05519	0.3
167.07124	0.2
168.10190	0.9
169.10068	0.1
173.09692	0.3
175.11192	0.6
179.07005	0.2
179.74333	0.1
181.08597	0.4
182.11804	1.2
183.06480	0.2
184.13335	0.7
188.10776	0.2
188.14438	0.2
189.09132	0.3
190.15950	0.3
192.14107	0.1
193.08560	0.2
199.90617	0.1
206.11775	0.3
208.13318	0.3
216.13777	0.1
218.15312	0.2
219.10205	0.2
220.13298	0.3
222.14798	0.1
234.14830	0.2
236.16440	1.8
246.14902	3.5
247.09692	1.6
249.11230	0.6
262.17972	0.2
264.19577	0.4
274.17960	0.3
276.15839	0.2
292.19150	0.3
302.17499	0.3
303.04993	5.1
304.15475	0.2
316.19168	0.2
318.16867	0.4
320.18579	7.0
329.43356	0.2
342.20810	0.2
344.14417	0.3
344.18561	5.2
348.18057	0.2
360.17789	0.2
390.23044	0.2
400.21442	0.2
403.19827	0.2
418.22229	100.0
419.22629	3.2
497.75101	0.1
818.08997	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	882.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	0.4
67.05507	1.6
69.03441	1.6
69.07072	100.0
69.76357	0.4
69.76735	0.5
70.07413	0.5
71.05000	1.1
71.08647	1.1
73.02914	0.6
73.06560	0.3
79.05492	0.7
81.03420	4.7
81.07063	1.0
83.01347	0.2
83.04984	0.4
83.08627	1.1
85.02905	3.6
85.06551	0.3
85.10193	0.6
87.08108	17.8
91.03920	0.4
91.05489	0.7
93.07059	0.6
95.04982	0.7
95.08612	0.8
97.02905	2.7
97.06535	3.9
97.10161	0.4
97.22822	0.2
98.22753	0.3
99.04456	6.4
99.05070	0.4
101.02383	0.4
105.07051	0.7
105.09132	1.3
107.08580	0.3
109.02883	10.6
109.10201	0.4
110.09724	0.5
111.04449	4.4
111.08102	0.2
113.06036	0.4
115.03915	0.3
115.07572	1.6
119.08611	0.5
121.10190	0.3
123.08038	0.3
125.02348	1.1
127.03920	32.7
128.04308	0.3
128.10722	2.0
129.07013	0.2
133.08591	1.4
133.10107	0.3
145.04976	4.5
147.11682	0.5
163.06001	2.3
165.09085	0.3
169.08633	0.9
173.15378	24.6
174.11305	0.3
187.07559	0.3
187.09630	1.0
193.12279	0.5
195.10173	2.2
201.14865	0.9
211.13307	1.1
219.15927	1.2
223.09631	0.7
229.14352	25.7
230.14796	0.3
231.10263	0.4
231.12289	1.3
241.10724	9.2
247.15375	1.0
259.11774	3.3
267.16013	1.2
277.12802	1.3
281.17538	0.3
283.15387	1.1
284.15683	0.6
285.17044	1.6
301.16434	1.1
309.16864	0.4
313.27399	2.8
315.27908	0.3
337.16446	1.1
343.21149	6.7
355.17520	13.4
356.17685	0.2
373.18567	5.1
391.19659	5.4
415.23230	0.8
446.88950	0.3
451.23050	0.3
467.26669	0.2
469.24323	12.3
487.25616	1.6
505.26553	4.3
505.38113	1.1
521.38232	0.3
522.38403	0.3
523.39777	2.9
555.95197	0.2
583.30804	0.7
601.32220	1.1
619.32745	0.8
702.26343	0.2
829.46130	0.3
882.49390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	1.5
67.05504	1.5
69.03432	3.3
69.07072	83.4
71.05004	2.2
71.08628	0.8
73.02908	0.9
73.06563	0.5
79.05499	0.8
81.03424	8.6
81.07043	1.3
83.08630	1.1
85.02908	6.2
85.06583	0.6
87.08111	100.0
91.05515	1.0
92.18755	0.4
93.07069	0.6
95.04946	0.9
95.08585	0.7
97.02897	4.7
97.06535	11.0
98.23479	1.0
99.04462	13.0
101.02377	0.9
105.07027	0.7
105.09141	0.5
107.08570	0.9
109.02885	17.4
111.04449	4.2
115.07577	1.8
119.08587	0.6
125.02382	1.8
127.03922	55.3
128.10718	3.4
133.08624	1.9
145.04974	6.7
163.06027	3.5
169.08614	5.3
173.15384	32.1
177.09254	0.5
183.13762	0.6
187.09660	1.7
193.12308	0.5
195.10164	3.9
201.14821	0.7
211.13326	2.1
219.15880	1.2
223.09587	2.2
229.14360	32.5
230.14700	0.7
231.12317	1.4
241.10732	15.4
243.54607	0.5
247.15363	1.3
256.03940	0.4
259.11826	2.9
267.15945	1.1
277.12756	1.5
283.15369	2.0
285.16864	0.5
301.16449	1.3
305.68066	0.4
313.27261	1.3
337.16437	2.0
343.21164	6.3
355.17520	15.0
373.18588	6.3
391.19638	4.7
415.23096	1.5
425.46396	0.4
451.23221	0.9
469.24365	17.3
479.95422	0.4
487.25336	2.0
505.26602	5.4
523.39465	1.7
602.43567	0.5
619.32196	0.7
619.48090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.8
67.03584	0.5
67.05510	11.9
69.03430	2.9
69.06718	0.4
69.07069	6.3
71.01341	0.6
71.04997	2.5
71.08636	13.8
73.02927	2.2
77.09038	0.5
79.05502	9.5
79.30801	0.4
81.03423	30.0
81.07060	16.5
83.04988	7.4
83.08624	16.1
85.02910	18.4
85.06532	0.9
85.10195	8.9
87.04429	0.8
89.06033	0.8
91.03456	0.5
91.03959	6.9
91.05489	12.7
93.06517	0.5
93.07042	6.8
95.04972	11.6
95.08610	12.3
97.02344	0.5
97.02905	6.5
97.06524	1.6
97.10175	4.1
99.04470	0.6
99.08073	1.0
103.07579	0.5
105.06371	0.5
105.07036	9.3
107.04342	0.4
107.04962	3.3
107.08607	2.6
109.06493	1.8
109.10168	6.5
111.04412	1.2
111.07450	0.4
111.08084	5.2
111.11684	0.9
113.06013	1.1
113.10877	0.4
115.05411	0.6
117.06995	0.6
117.09113	0.5
119.04913	0.4
119.07765	0.4
119.08586	7.4
121.06496	0.7
121.10151	4.5
123.08026	1.4
123.11714	3.1
127.03913	2.3
129.07030	4.5
131.08575	5.5
133.06456	1.0
133.10133	5.6
137.09653	0.7
137.13194	0.8
142.07785	1.2
145.04951	2.3
145.10065	0.9
147.08044	1.2
147.10600	0.5
147.11687	8.8
149.09639	3.4
151.11147	0.5
157.10144	8.1
163.06027	3.2
163.11192	0.6
165.12785	2.0
175.11189	8.5
176.03117	0.4
193.12262	26.4
211.13303	39.6
239.23689	1.4
249.14790	0.5
257.24817	1.0
259.25635	0.4
260.93448	0.4
267.15930	15.6
273.26245	0.4
285.16974	58.5
286.17386	0.9
313.27377	59.8
314.27734	0.8
350.67456	0.4
505.38876	13.0
523.39984	100.0
524.40308	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	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05160	0.5
67.05506	8.5
69.03434	1.9
69.07076	4.7
71.01358	0.5
71.05005	1.7
71.08632	12.4
73.02903	1.8
73.06535	0.7
75.50994	0.4
79.05495	7.1
81.03420	26.2
81.07059	12.1
83.04983	5.5
83.08117	0.7
83.08620	13.4
85.02906	12.7
85.06541	0.8
85.10176	6.5
86.10477	0.4
87.04478	0.5
89.06020	0.5
91.03954	2.3
91.05482	7.7
93.07047	5.3
95.04971	10.5
95.08610	10.4
97.02885	4.2
97.06530	0.9
97.10169	3.4
98.23540	0.5
99.04482	0.8
99.08125	0.4
99.11723	0.6
103.07545	0.7
105.07031	6.8
107.04932	2.0
107.08591	2.9
109.02866	0.5
109.06524	1.6
109.10159	5.2
111.04451	1.2
111.08079	5.0
111.11732	0.5
113.05991	0.8
117.06977	0.5
119.04972	0.5
119.08571	4.8
121.10151	3.5
122.79067	0.4
123.08054	0.5
123.11720	2.5
125.06034	0.4
127.03919	0.9
129.06984	3.8
131.08563	3.8
133.06500	1.0
133.10143	3.1
135.11707	0.6
137.09650	0.4
137.13281	0.5
142.07756	0.9
145.05002	1.0
145.10217	0.7
147.08083	1.2
147.11679	6.0
149.09592	2.6
157.10126	6.8
163.06042	1.0
163.11176	0.8
165.12833	1.4
175.11203	6.5
193.12241	22.2
211.13295	26.5
220.95033	0.4
227.12895	0.5
239.23746	1.2
257.24841	1.0
267.15930	9.0
283.15430	1.2
284.15793	0.9
285.16971	24.3
286.17557	0.5
313.27359	33.3
314.27826	1.7
315.28241	0.6
315.99368	0.4
429.21426	1.0
505.38870	7.9
521.38367	0.5
522.38708	1.1
523.39948	100.0
524.40265	2.9
667.44305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.4
67.05506	13.3
69.03431	2.7
69.07068	7.4
70.67460	0.7
71.01338	0.4
71.04991	2.0
71.08636	17.3
71.09023	0.6
72.32864	0.3
73.02921	2.0
73.06555	0.3
79.05498	8.5
81.03421	26.0
81.07058	17.4
83.04533	0.5
83.04984	6.0
83.08622	16.1
85.02906	16.9
85.06509	0.9
85.09710	0.5
85.10183	8.6
86.09702	0.4
87.04446	0.5
89.06010	0.7
91.03962	4.4
91.05482	11.5
93.07049	6.4
95.04970	10.8
95.08611	14.5
97.02896	4.5
97.06528	1.8
97.10168	4.8
99.04430	0.6
99.08060	0.6
99.11678	0.9
100.11232	0.6
103.07561	0.9
105.04453	0.4
105.06358	0.5
105.07024	8.4
107.04980	3.0
107.08617	2.7
109.02895	0.4
109.06523	1.8
109.10158	6.8
111.04385	1.0
111.08099	4.4
111.11681	0.9
113.05967	1.0
115.05395	0.7
117.07005	0.7
118.32934	0.3
119.08592	7.7
121.06499	0.6
121.10136	3.8
123.08037	1.0
123.11703	2.4
125.09576	0.7
127.03930	2.0
129.07011	4.8
131.08562	4.6
133.06429	1.1
133.09183	0.4
133.10129	5.9
137.09613	0.6
137.13164	0.7
142.07744	1.3
145.04967	2.2
145.10101	1.1
147.08020	1.3
147.11696	6.7
149.09599	3.2
151.14795	0.4
157.10135	5.8
163.05998	1.9
163.11130	0.7
165.12788	1.6
175.11179	6.8
193.12242	19.9
211.13287	21.0
212.13715	0.4
236.70366	0.3
239.23703	1.6
249.14717	0.7
257.24738	1.5
267.15894	12.6
285.16971	33.2
298.27484	0.3
313.27368	65.3
314.27615	0.7
429.21210	0.5
487.54016	0.4
505.38892	17.3
506.39621	0.4
523.39960	100.0
524.40344	2.2
667.44836	0.6
898.10876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.7
67.05505	35.2
68.03967	1.3
68.05851	1.6
69.07072	17.3
71.05006	1.3
71.08636	1.7
77.03925	1.3
79.05484	8.9
81.07055	30.8
81.07502	2.7
81.41727	1.2
82.07383	2.5
83.04987	1.7
83.08608	11.0
87.64244	1.2
91.05495	5.9
93.07042	9.7
94.04192	3.2
94.07383	2.0
95.04975	7.0
95.08607	28.9
96.08884	2.4
97.06546	3.3
97.10178	4.3
98.98453	2.3
99.17325	1.3
103.05457	2.9
103.86034	1.2
105.03397	29.0
105.04543	3.9
105.07028	6.0
107.08596	4.6
109.06527	1.6
109.10165	11.3
110.10503	2.2
113.00014	35.5
119.08599	3.3
121.06460	1.7
121.10179	3.1
122.03642	3.6
123.08115	1.2
123.11711	4.6
128.06212	2.0
129.07025	5.3
131.04904	4.1
133.10135	3.9
135.11670	2.7
137.05981	54.4
137.13309	1.4
149.05969	1.5
149.13217	2.4
151.03909	3.2
151.07578	2.5
157.06503	4.8
161.05975	9.1
161.13254	2.1
162.06708	1.1
163.07576	3.0
163.14839	1.6
165.06932	5.9
169.02618	23.7
175.07593	2.0
177.05554	1.5
178.92529	1.2
185.05992	5.2
187.03697	3.6
187.07602	1.7
189.09114	2.2
193.06541	4.3
203.28348	1.4
210.06711	2.2
217.08611	5.2
221.05940	8.9
223.07585	1.9
225.09135	9.1
238.06288	3.7
245.22722	2.2
253.08601	44.1
254.09296	1.6
255.10272	1.3
261.09012	2.5
262.87320	1.3
263.23679	5.0
271.07431	1.6
279.39008	1.3
284.08264	3.1
285.11230	31.4
289.08600	2.5
301.08521	3.6
306.08633	2.0
313.08582	1.6
314.09528	1.7
315.10275	2.2
316.10794	1.9
321.11392	3.0
327.10242	3.8
337.27362	100.0
338.27716	47.6
344.10480	3.0
345.11163	2.1
346.11942	3.7
347.12689	4.7
348.11191	2.1
359.12894	8.2
360.30762	1.5
365.12079	2.5
376.10858	2.4
391.13275	1.7
393.11304	3.3
405.11060	2.1
408.13550	2.6
419.12515	3.5
421.10620	1.5
422.11179	2.4
423.16055	1.8
436.12976	4.0
437.13959	1.6
451.15363	15.7
468.15573	4.2
483.18060	63.6
484.17712	1.7
501.18906	2.8
573.19025	3.9
605.21686	28.9
606.21869	1.3
623.22961	1.5
727.24762	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	885.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.6
68.05035	0.4
69.03440	1.7
69.45701	0.4
69.46099	0.8
70.06593	3.0
72.84705	0.3
76.18684	0.3
79.05476	0.7
80.05015	0.8
81.07061	0.7
82.06599	0.4
83.01347	0.3
84.08139	1.0
91.05459	0.7
93.07032	0.5
94.06550	0.8
95.04958	0.5
95.08590	0.6
96.08124	1.1
97.06492	0.3
105.07024	0.5
107.08599	0.6
108.08120	0.6
110.07177	0.3
110.09666	1.2
115.05511	0.4
117.07058	0.3
119.08573	0.6
120.08102	0.7
121.86414	0.3
122.09657	2.2
123.08113	0.3
125.06106	0.3
127.03942	0.3
131.08537	0.4
134.09636	0.8
135.10330	0.2
136.11188	0.7
137.05994	0.3
138.09157	0.6
143.08612	0.5
145.10139	0.5
147.11578	0.3
148.11107	0.3
149.05913	0.3
150.09161	1.8
151.07532	0.3
152.10669	0.4
153.05414	0.4
155.03377	0.5
157.10172	0.3
161.06049	0.2
162.09039	0.3
162.12791	0.8
164.93135	0.3
165.05482	0.3
167.07005	0.4
168.10191	1.4
171.08038	0.4
175.07458	0.3
175.11240	0.4
181.08612	0.7
182.11713	1.6
184.13362	1.2
188.14357	0.3
189.09087	0.4
190.12325	0.3
190.15967	0.4
198.14830	0.5
208.13335	0.5
210.14896	0.6
218.15338	0.3
219.10033	0.3
220.13437	0.4
234.14841	0.3
236.16457	4.7
236.18695	0.5
246.14903	4.9
247.09653	3.8
249.11308	2.0
264.19666	0.4
268.16995	0.4
292.19119	0.3
300.41885	0.3
302.17691	0.3
316.15350	0.3
318.17050	1.1
320.18558	8.5
334.19998	1.2
342.17236	0.3
344.18552	7.6
360.18143	0.7
400.20932	0.5
402.75647	0.2
417.21545	0.3
418.22217	100.0
419.22650	2.1
432.23825	6.1
433.24127	0.3
436.23254	7.4
450.24881	21.1
451.25333	0.8
468.21924	0.3
756.54181	0.3
914.75824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03636	0.9
65.03912	4.4
70.14902	2.2
75.04486	1.6
77.03925	1.3
78.04721	2.4
79.05489	6.3
81.03442	1.0
82.01042	1.0
85.02914	3.4
87.15171	1.0
87.29424	0.9
91.05477	15.4
93.03406	6.9
93.07056	6.4
95.04997	5.2
97.06544	1.9
98.23417	1.4
100.28612	0.8
103.05462	12.9
105.03376	1.7
105.04548	2.1
105.07033	14.6
106.04175	13.0
107.04958	7.9
109.06492	4.7
110.03674	1.2
111.04472	1.1
115.05473	3.3
117.03361	0.9
117.07022	2.6
118.04177	2.1
119.04957	2.0
119.06059	1.5
119.08566	1.4
120.05811	1.4
121.02842	1.5
121.06506	34.8
123.04436	4.8
124.05209	1.6
125.05983	5.8
129.06981	1.3
131.04938	10.8
131.08612	1.0
132.05669	1.4
133.06500	5.0
134.03633	2.8
135.08057	29.0
135.09079	1.9
137.06015	5.9
138.03160	1.0
139.07542	1.8
144.05766	1.1
145.06477	4.2
147.07990	4.8
148.05211	5.3
148.06221	0.9
149.05983	27.4
151.03902	2.8
151.07587	1.6
152.04649	1.6
153.05481	3.3
153.09120	6.9
155.07074	0.9
159.08022	1.7
160.05309	1.3
161.05991	5.9
163.07535	11.3
165.05527	1.5
167.07040	60.8
171.06575	2.5
173.06059	3.7
174.06772	4.0
175.07539	13.4
176.04771	1.4
177.05486	17.1
179.07065	1.1
181.04974	35.7
181.08569	20.3
187.07582	2.9
187.51854	0.9
190.06218	0.9
191.07028	47.2
193.08614	2.1
195.06523	2.2
201.05498	1.0
205.08644	2.6
207.06432	1.2
209.08093	100.0
219.10225	2.8
225.07487	0.8
233.08118	2.7
235.07632	1.0
235.09679	3.8
245.08115	1.1
263.09143	12.0
267.10260	2.4
271.13281	2.6
279.10141	1.2
283.13309	11.5
289.10321	0.9
295.10126	1.2
295.13278	28.9
297.11316	1.3
313.14343	2.0
325.10693	1.3
339.12012	1.0
357.13278	3.8
385.12805	6.1
399.14307	1.9
417.15475	10.1
449.19611	7.9
467.20731	1.1
679.90417	1.2
870.03217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11893	0.2
67.05516	0.8
69.03430	2.9
69.07072	2.2
71.01358	0.8
71.05013	0.5
71.08621	1.3
73.02918	3.7
73.03294	0.3
73.53204	0.2
79.05504	0.7
81.03411	1.9
81.07044	1.4
83.01347	0.3
83.04979	0.3
83.08628	0.9
85.02905	5.4
85.10209	0.9
87.04475	0.4
91.03954	3.8
91.04480	0.3
91.05511	0.6
93.07079	0.8
95.04987	0.3
95.08616	1.2
97.02892	4.7
97.03479	0.3
97.10184	0.4
98.22603	0.3
99.04436	1.1
101.02378	1.6
103.03955	0.4
105.07056	0.4
107.04985	0.2
107.08637	0.5
109.02885	1.1
109.10197	0.8
111.04457	0.4
115.03963	0.6
119.08595	0.4
121.10173	0.4
123.08119	0.2
123.11712	0.3
127.03919	2.1
135.11743	0.5
145.05005	0.5
145.10190	0.8
149.13402	0.2
153.12808	0.3
163.11163	1.4
173.09641	0.2
173.15427	0.2
179.36589	0.2
181.12279	0.3
183.06773	0.2
185.04234	1.2
201.07677	0.2
203.05383	0.6
209.11722	0.3
227.12955	0.3
229.14404	0.3
243.08392	2.4
249.11105	0.6
250.11586	0.2
283.15515	0.5
305.08310	0.2
305.13693	0.3
313.27451	1.1
347.09402	2.2
347.12595	0.2
363.09064	0.4
365.10760	0.9
405.13651	6.0
405.18701	0.4
467.18881	9.4
468.19855	0.3
497.30939	4.8
629.24115	8.1
659.36194	4.3
660.36542	0.3
672.42084	0.2
674.29510	0.2
723.43140	2.8
885.48132	100.0
886.48157	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	885.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08010	0.5
67.05502	1.3
69.03439	1.7
69.12980	2.9
71.04972	0.6
71.08649	1.6
73.02915	3.6
79.05502	1.0
79.76765	0.5
81.03435	1.9
81.07079	1.9
83.08616	0.8
85.02901	4.7
85.10213	1.0
90.57345	0.5
91.03979	3.5
91.05527	0.6
93.07065	1.2
95.08638	2.5
97.02899	4.9
99.04484	0.8
101.02412	1.7
107.08636	0.8
109.02951	0.8
109.10172	0.8
119.08617	0.7
120.69597	0.6
121.10132	0.7
124.06996	0.5
127.03920	1.6
133.04929	0.6
135.11703	2.6
145.10155	0.9
163.11201	2.8
185.04292	1.1
201.09991	0.6
203.05385	0.8
227.12714	3.0
243.08513	1.7
249.10980	7.3
262.67740	0.6
305.13654	2.2
313.27591	1.3
347.09442	3.6
365.10480	1.3
382.79593	0.5
386.57809	0.6
405.13672	6.6
415.47751	0.6
467.18912	14.3
497.30887	10.0
525.40784	0.7
629.24005	10.7
629.33356	0.8
659.36108	7.9
720.43317	0.6
723.42767	4.3
732.00830	0.5
885.48120	100.0
886.48224	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	886.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.1
67.05504	14.4
68.07137	0.5
69.03429	3.3
69.07071	4.3
69.49906	2.3
69.84597	0.4
71.01342	0.5
71.04992	2.7
73.02927	0.9
77.03901	0.7
79.05496	16.4
81.03419	68.6
81.07056	16.6
82.03747	0.5
83.04988	7.4
83.08623	18.5
85.02905	9.8
85.06556	1.3
88.83099	0.5
91.03952	1.9
91.05483	20.3
93.07051	11.3
95.04972	25.4
95.08614	6.1
97.02889	4.6
97.06512	2.3
97.10174	4.6
98.22753	1.0
99.04460	0.8
99.08093	0.8
105.04536	0.9
105.07030	13.3
107.04951	6.6
107.08595	6.7
109.06526	4.4
109.10158	3.1
111.04466	2.4
111.08076	8.0
113.06016	1.5
115.05486	1.2
117.07011	2.1
119.04930	0.9
119.08588	14.8
121.06514	3.5
121.10151	5.9
123.04432	1.3
123.08065	2.5
123.11720	0.8
125.06063	0.5
125.09628	3.3
127.03929	1.0
128.06207	0.8
129.05510	0.6
129.07007	10.5
131.04967	1.1
131.08583	9.8
133.06500	3.6
133.10126	6.3
135.08038	1.1
135.11723	0.9
137.09616	1.4
141.07008	0.9
142.07767	2.0
143.08548	1.2
145.06476	5.0
145.10136	2.4
147.08052	3.8
147.11690	10.4
149.09624	5.6
153.09041	0.6
155.08510	1.0
157.06538	1.0
157.10133	12.3
159.08044	0.9
159.11713	0.9
161.05991	0.8
161.09590	0.8
163.06064	1.1
163.11168	1.8
165.09135	0.5
165.12741	2.0
169.10115	1.0
171.08058	1.3
171.11699	1.3
173.09628	0.8
175.11185	11.6
185.09717	0.7
185.13249	0.6
189.05435	0.6
189.09364	0.4
189.11203	1.8
189.12740	0.7
193.12248	32.1
195.11737	1.4
197.09613	0.5
197.13240	0.8
199.11232	1.1
205.12241	0.9
211.13286	13.8
213.12820	0.6
227.12640	1.0
227.14534	0.7
229.14285	1.2
231.13689	0.7
233.15300	1.2
237.12686	1.0
249.14915	1.7
255.13760	2.8
257.15488	0.6
259.13379	0.7
267.15915	100.0
268.16321	1.6
273.14874	4.4
281.15726	0.5
285.16946	11.0
301.14264	0.9
309.16882	1.4
336.84949	0.5
339.23276	1.5
341.21072	1.6
349.21616	2.9
357.24286	1.0
367.22708	6.4
385.23737	9.3
388.54904	0.6
403.24750	2.6
415.24704	0.9
433.25854	17.3
434.26532	0.7
441.26187	6.4
459.27417	92.5
460.27734	2.8
477.28488	51.6
478.28693	1.7
491.30048	1.3
501.28506	2.7
509.31409	0.8
519.29773	3.1
543.29559	0.8
567.29175	1.0
573.30463	0.6
585.30743	2.3
603.31317	1.7
621.32349	1.3
763.45679	0.5
886.37964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.7
67.05508	57.0
69.03426	7.5
69.07069	22.6
69.44820	5.6
71.04986	4.6
73.02914	1.6
79.05498	25.5
81.03407	9.7
81.07060	28.3
81.82225	1.2
83.04983	8.1
83.08614	12.5
85.02911	6.0
85.06539	2.6
87.04477	2.1
91.05482	19.2
93.07043	18.5
94.04152	1.6
95.04972	10.1
95.08609	16.7
97.02895	8.1
97.06540	3.9
97.10169	14.5
103.03920	1.3
105.07044	12.0
107.04976	9.2
107.08595	16.2
109.06528	3.4
109.10159	35.7
111.04446	1.5
111.08089	4.0
117.07023	6.7
119.08558	10.4
121.06490	2.8
121.10144	5.4
123.04370	1.3
123.08065	4.7
123.11673	1.5
125.09642	11.7
128.06235	1.5
129.05490	1.4
129.07002	4.2
131.08577	6.6
133.06505	3.8
133.10118	6.6
135.08066	3.2
135.11739	2.6
137.09604	3.2
143.08549	2.5
145.06447	2.1
145.10141	6.8
147.08063	6.5
147.11688	2.7
149.09636	2.9
151.11230	2.5
153.12744	1.4
155.10614	2.8
157.10120	3.3
159.11710	2.4
161.09642	2.6
163.11169	4.0
165.09090	2.0
166.51080	1.3
169.12250	2.1
173.11751	9.4
175.11205	2.6
177.12785	1.6
189.11226	4.7
190.19934	1.5
191.10701	1.5
193.12302	2.5
195.11705	1.3
195.13753	1.6
199.13286	4.8
209.11739	3.4
210.77373	1.4
223.13280	14.8
227.12843	7.2
229.14352	31.2
245.19057	1.4
249.14880	3.1
253.14334	4.0
262.16010	1.7
267.15945	6.8
273.18494	12.1
283.15414	2.0
291.19550	100.0
301.16434	9.3
309.20505	1.8
318.35120	1.4
331.53857	1.3
347.22186	2.2
365.18625	2.2
365.23227	40.5
368.69589	1.5
399.23785	10.9
489.31805	2.7
507.32785	3.1
519.33234	33.1
527.37134	4.0
573.34070	2.4
591.35199	7.9
629.32977	1.3
689.42499	16.3
886.48407	3.7
887.50238	7.7
900.62347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67514	0.1
67.05492	0.4
68.05010	0.2
69.03422	1.1
70.06590	1.0
70.71788	0.1
71.04996	1.7
79.05482	0.4
80.05025	0.7
81.07068	0.4
82.06580	0.2
83.01343	1.3
83.07344	0.2
84.08134	0.9
91.05458	0.2
91.40357	0.1
93.07036	0.5
94.06571	0.5
95.04958	0.5
95.08604	0.5
96.08115	1.2
97.06552	0.2
97.08887	0.3
98.06047	0.2
99.04462	0.4
99.10490	0.2
105.07024	0.4
106.06578	0.2
107.08605	0.4
108.08125	0.4
110.09689	0.5
111.08087	2.8
115.03932	0.9
119.08551	0.2
120.08112	0.3
122.09663	2.1
123.08051	0.5
124.07590	0.3
124.11227	0.7
125.06023	0.3
125.09615	0.2
126.09136	0.3
127.03941	0.2
133.06503	0.2
133.10158	0.2
134.09660	0.6
136.11218	2.5
137.05989	0.2
140.55272	0.1
141.09113	0.2
143.03409	0.5
147.11644	0.2
148.11221	0.4
150.09138	1.7
152.10715	1.0
154.12207	0.2
155.07021	0.8
160.11256	0.3
161.09651	0.3
162.09166	0.3
162.12759	0.8
163.13463	0.2
164.10744	0.3
164.14365	4.6
167.07095	0.1
168.10194	1.7
170.11810	0.5
174.12834	0.2
176.14366	0.4
177.09117	0.2
178.12343	0.2
180.10204	0.1
180.13821	0.5
182.11775	4.9
182.15347	0.9
183.06532	0.2
184.13364	0.3
189.09180	0.3
190.12186	0.2
190.15903	0.6
192.13852	0.2
194.11761	0.2
195.16144	0.1
196.13419	0.2
197.08067	0.3
205.08582	0.1
208.13266	0.8
208.16975	0.4
210.14821	0.1
234.14864	2.0
235.15553	0.2
236.12849	0.2
236.16422	1.5
247.09607	0.6
248.16496	0.2
260.16507	0.3
262.18103	0.5
264.19629	0.3
265.11017	0.2
266.17398	0.2
278.17584	0.5
280.18982	0.4
288.15976	0.1
290.17523	0.2
292.19022	0.5
308.18555	3.3
310.20120	0.2
348.21707	0.1
354.19095	0.6
360.18124	0.2
364.17554	0.2
378.19174	0.4
390.22647	0.3
402.19171	0.2
406.22174	0.3
416.20779	0.5
434.21738	6.8
436.19662	7.8
437.19717	0.7
438.20651	0.3
450.16742	0.2
450.21942	0.2
451.21967	0.3
452.22781	100.0
453.23062	2.3
644.22174	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	887.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02725	0.2
69.07069	0.4
81.03416	0.3
85.02922	0.3
97.06519	0.3
98.22668	0.4
102.37623	0.2
113.21270	0.2
129.34908	0.2
155.06848	0.8
168.78392	0.2
200.35313	0.2
244.64812	0.2
269.13611	10.4
281.10239	0.3
323.14957	0.4
341.15732	1.0
383.20425	13.3
384.20804	0.3
395.16779	0.6
395.93967	0.2
413.17761	0.6
425.21545	1.3
453.21194	0.8
455.22519	10.0
485.23621	0.5
509.23959	1.2
527.24493	2.3
601.25940	0.3
602.32086	0.3
609.99072	0.2
613.28522	0.4
623.30261	0.7
640.17792	0.2
641.31519	1.9
659.32556	0.8
727.35248	0.5
755.37933	0.8
773.39337	2.0
869.45850	0.5
887.46124	100.0
888.46436	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	887.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	4.0
67.65518	0.3
69.03429	4.2
69.07076	1.7
71.01356	0.4
71.04989	0.8
71.08639	2.1
71.10123	0.4
73.02917	4.9
75.10238	0.3
79.05508	1.6
79.69080	0.3
80.05839	0.3
81.03413	3.5
81.07059	3.5
83.04997	0.8
83.08643	1.5
85.02908	7.1
85.03414	0.4
85.06557	0.4
85.10192	0.9
87.04497	0.7
91.03963	4.9
91.05479	2.1
93.07043	1.8
95.04979	1.1
95.08607	2.1
97.02895	7.5
97.06542	0.5
97.10167	1.6
98.23397	0.4
98.64084	0.3
99.04461	1.0
101.02394	1.9
101.04078	0.3
103.03963	0.5
103.48016	0.3
105.07052	1.4
107.04961	1.0
107.08627	1.2
109.02914	1.2
109.10149	2.7
111.08132	0.4
115.03938	0.4
119.08613	1.1
121.06577	0.3
121.10161	0.6
125.09672	0.5
127.03911	1.9
129.07088	0.6
131.08582	0.6
133.10152	0.8
135.08211	0.3
145.04976	0.6
145.10161	0.6
147.11629	0.4
149.09709	0.3
157.10204	0.5
163.11209	0.4
173.11784	0.3
175.11220	0.5
185.04236	0.8
195.44737	0.3
203.05290	0.6
211.13234	0.4
223.13376	0.5
229.14461	1.0
230.14870	0.5
239.23767	0.7
243.08359	1.9
245.19206	0.4
251.12636	0.9
267.16013	0.5
273.18588	0.8
291.19580	3.5
292.19913	2.0
307.15430	0.4
313.27383	2.2
328.81345	0.3
347.09451	3.1
365.10788	1.3
365.15112	0.3
365.23425	1.3
366.23734	0.8
399.23883	0.5
400.24203	0.4
405.13644	5.4
469.20401	4.5
488.32297	0.4
497.30841	6.9
520.33838	0.8
527.37592	0.4
631.25891	4.2
659.36078	8.1
688.54895	0.4
690.42987	0.7
725.44568	2.2
887.49707	100.0
888.49622	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	887.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.2
69.03432	3.0
69.07082	0.5
71.01365	0.4
71.05001	0.4
71.08632	0.9
73.02923	3.2
79.05494	0.7
81.03418	2.4
81.07066	1.5
83.05011	0.5
83.08624	1.0
85.02907	5.3
85.10184	0.7
87.04482	0.4
91.03960	3.0
91.05482	1.1
93.07024	0.6
95.05001	0.5
95.08622	1.3
97.02896	4.4
97.06561	0.2
97.10197	0.4
99.04446	0.9
101.02377	1.6
103.03970	0.4
104.92307	0.1
105.07013	0.7
107.04977	0.2
107.08607	0.3
109.02888	0.7
109.06533	0.3
109.10156	0.8
111.08084	0.3
115.03968	0.3
119.08585	0.6
121.10194	0.3
123.08125	0.2
123.11720	0.2
127.03916	1.5
129.05510	0.1
129.07033	0.2
131.08585	0.3
133.10146	0.6
139.83371	0.1
145.05013	0.4
147.08038	0.1
147.11736	0.5
149.09676	0.2
157.10182	0.4
175.11258	0.3
178.86569	0.1
185.04222	0.7
185.05646	0.1
193.12277	0.9
203.05353	0.6
211.13272	0.6
227.64516	0.1
239.23898	0.2
243.08374	1.7
243.10461	0.1
251.12706	0.7
257.25052	0.2
259.07904	0.1
267.15982	0.2
305.08319	0.1
307.15109	0.6
313.27362	1.0
347.09540	2.2
363.09146	0.4
365.10342	1.0
403.12274	0.2
405.13669	5.3
406.14145	0.1
421.13361	0.2
469.20459	7.8
470.21063	0.1
497.30859	4.7
498.30762	0.1
563.39215	0.3
631.25702	6.8
632.26166	0.2
659.36115	4.2
725.44385	2.6
887.49707	100.0
888.49792	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	888.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.0
66.77631	0.2
67.05505	2.3
69.03427	4.8
69.07057	1.0
70.53541	0.3
70.53864	0.3
71.04985	1.0
73.02898	0.7
79.05481	1.7
81.02965	0.3
81.03419	3.9
81.07056	4.1
83.04985	1.6
83.08605	1.8
85.02905	8.5
85.06525	1.3
87.04477	2.4
90.02977	0.2
91.03957	0.4
91.05482	10.2
91.06048	0.5
93.07047	2.7
95.04975	3.2
95.08620	1.6
97.02901	3.9
97.06522	1.0
99.04453	1.4
99.08080	0.3
103.03978	0.3
103.05450	0.5
103.37979	0.3
103.90070	0.2
105.07028	3.1
107.04972	0.4
107.08595	4.6
108.04464	0.7
109.02869	2.0
109.06508	3.4
109.10157	11.3
111.08058	0.7
113.05996	0.4
115.03931	4.5
117.03333	0.3
117.06997	0.7
118.04140	0.3
119.04945	17.0
119.08560	1.9
121.10139	4.3
123.08067	1.8
123.11701	2.1
125.09596	0.8
126.84037	0.2
127.03909	4.9
129.07002	0.3
131.08557	2.0
132.02071	0.5
133.02757	0.3
133.04959	0.9
133.10126	8.0
135.08046	1.9
135.11679	0.6
137.13235	0.4
143.08562	0.5
145.02913	0.6
145.04976	4.2
145.06165	0.4
145.10100	1.4
146.03598	1.1
147.04407	16.4
147.11679	1.3
148.31346	0.3
149.02319	0.5
149.09599	0.3
149.13243	2.6
151.11172	2.7
153.09094	1.4
154.05078	0.2
155.58334	0.3
157.03954	2.0
157.05006	0.2
158.10907	0.8
161.06001	0.3
163.03914	0.3
163.05974	0.3
163.11208	0.3
163.14819	0.7
164.04698	0.5
165.12773	2.2
167.07091	0.6
167.14304	1.9
173.13252	6.2
174.03152	1.4
175.03908	32.5
175.14815	0.7
179.07054	1.5
189.09123	0.5
191.14310	6.6
192.04170	2.5
193.15848	0.5
207.06523	100.0
208.06859	0.8
209.15366	18.1
221.08162	0.4
225.07570	0.8
227.16299	0.5
231.06464	0.4
249.07556	1.0
259.08057	1.8
273.07465	0.3
277.09250	1.2
315.08578	0.8
333.09692	0.9
351.10733	0.8
369.07507	0.4
369.11835	3.7
388.21130	3.5
483.14844	0.7
645.20447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03653	0.9
65.03931	4.9
67.05505	100.0
69.03429	8.7
69.07069	31.3
69.07446	1.7
71.01348	2.2
71.04987	7.8
71.08614	0.8
71.76591	0.6
73.02929	2.5
75.04458	0.9
77.03944	1.5
78.04632	0.8
79.05125	0.7
79.05492	56.9
81.03416	19.2
81.07056	71.5
83.04984	14.6
83.08619	20.4
83.09096	1.4
84.40943	0.6
85.02904	12.9
85.06538	5.8
87.04482	3.3
91.03991	1.1
91.05480	44.0
93.07044	46.0
95.01321	0.8
95.04971	15.6
95.05527	1.5
95.08605	32.5
97.02897	6.8
97.06533	14.7
97.07115	1.3
97.10165	20.5
99.04472	2.4
99.08097	3.1
101.09657	0.8
103.03972	0.9
103.05482	1.7
105.04526	2.9
105.07034	30.0
107.04954	11.1
107.08595	34.3
109.02905	2.1
109.06522	8.0
109.10155	63.2
111.04463	2.5
111.08063	7.3
111.11730	0.9
112.79228	0.7
113.06026	1.7
113.09655	1.3
115.05498	2.2
116.04739	0.8
117.07020	15.4
119.05029	0.8
119.08586	26.5
119.09424	1.6
121.06534	5.4
121.10134	15.7
121.10971	1.0
123.04432	0.9
123.08083	5.2
123.11720	3.3
123.77296	0.7
125.09633	21.5
127.03933	3.8
127.07581	1.0
127.11177	0.8
128.06261	1.3
129.05536	4.5
129.06949	4.6
130.07848	1.0
131.08568	16.8
133.06532	1.5
133.10135	21.0
135.08067	6.1
135.11693	14.8
137.09630	6.4
137.13269	1.2
139.11195	1.1
141.06985	1.2
141.09045	0.7
142.07791	1.3
143.08571	4.9
143.10716	2.0
145.04985	1.6
145.06505	1.5
145.10121	15.9
147.04393	1.0
147.08054	2.7
147.11697	12.0
149.09625	11.5
149.13263	8.4
151.11215	1.6
153.09109	1.0
153.12781	2.3
155.08560	2.5
155.10648	3.9
157.08917	1.0
157.10121	5.2
159.08089	1.3
159.11703	12.0
159.12936	1.0
161.09663	1.9
161.13235	3.6
163.11185	15.6
165.09218	1.2
165.12762	1.7
169.10185	2.1
171.10292	0.9
171.11749	2.7
173.04462	1.9
173.09625	2.6
173.11774	15.7
173.13293	4.6
175.11174	1.7
177.12709	4.2
179.14330	2.1
181.12268	3.5
183.11726	2.1
185.13252	1.0
187.11151	1.4
189.11179	6.1
189.12492	0.8
191.10777	2.4
193.12300	2.8
195.13757	5.5
197.13159	1.5
199.13280	6.6
201.12737	1.3
205.12262	1.2
207.13766	1.1
209.11734	5.8
211.13280	1.2
217.14291	1.0
219.13866	1.0
227.12794	19.6
229.14334	44.3
229.19472	2.3
235.16933	1.2
239.17995	2.1
247.20682	1.5
251.16525	0.8
253.18089	1.6
255.15794	6.3
257.13763	0.8
257.19131	7.7
261.14926	1.5
265.14294	1.5
267.15961	7.3
269.17441	17.6
273.18665	1.6
275.20059	31.5
283.15350	4.5
291.19543	3.7
293.21255	2.4
301.16461	9.7
321.16901	1.0
321.24191	0.9
323.18890	1.0
331.22638	2.2
339.18375	0.9
349.23721	27.9
365.23227	1.2
367.24713	2.3
399.23770	18.4
407.27728	1.0
409.25916	6.5
411.27460	1.8
413.21664	1.7
423.27399	22.2
439.27145	0.9
461.29251	0.8
477.28445	2.0
481.27817	1.4
491.33936	0.9
495.29492	3.7
503.33636	13.5
521.34833	2.1
557.34973	1.2
562.83685	0.8
573.33459	1.1
575.35498	3.7
579.35687	4.0
591.35492	0.8
593.36798	24.6
633.39642	1.1
673.42944	10.9
691.44281	3.6
888.49817	3.0
902.90942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	6.4
67.05505	100.0
69.03419	8.9
69.06714	1.4
69.07066	24.2
69.28134	1.0
71.01344	1.8
71.04993	6.7
71.08606	1.8
73.02907	3.4
77.03932	1.6
79.05492	44.9
81.03421	18.2
81.07058	76.2
83.04987	14.3
83.08624	16.9
85.02906	12.7
85.06535	4.8
87.04472	4.9
91.05480	41.7
93.07043	41.8
95.04964	15.1
95.08607	26.8
97.02893	6.4
97.06523	12.8
97.10171	14.7
99.04427	1.3
99.08092	3.6
103.03931	1.6
103.05460	1.7
105.04510	3.2
105.07027	26.1
107.04945	9.8
107.08597	29.0
109.02863	1.9
109.06510	7.8
109.10156	53.4
111.04427	1.2
111.08067	9.4
115.05422	2.0
117.07023	13.7
119.08581	24.4
121.06508	3.0
121.10139	13.9
123.08063	4.0
123.11700	3.4
125.09641	14.0
127.03931	3.0
128.06206	1.5
129.05461	3.5
129.07014	5.7
130.07811	2.2
131.04915	1.1
131.08566	14.9
133.06537	1.7
133.10126	18.7
135.08064	5.3
135.11700	16.1
137.09618	5.6
139.11232	1.6
141.07016	1.4
143.08563	3.0
143.10590	1.2
145.06528	1.6
145.10126	13.5
147.08058	1.8
147.11678	10.1
149.09628	10.9
149.13235	12.1
151.11230	2.0
153.12758	3.0
155.08563	2.5
155.10677	3.6
157.10133	3.6
159.08087	1.4
159.11684	11.6
161.09636	1.5
161.13214	2.6
163.11185	12.2
165.09117	1.6
165.12709	1.5
169.10144	1.5
171.11674	2.1
173.04494	2.3
173.09566	2.2
173.10187	1.2
173.11734	15.2
173.13257	4.2
175.11162	1.4
177.12737	3.8
179.14291	2.2
181.12224	3.8
183.11684	2.1
185.13159	1.6
187.14778	1.6
189.11255	2.5
191.10649	3.7
192.00485	1.0
193.12209	3.8
195.13824	7.5
197.13315	1.7
199.13242	6.2
207.13701	1.4
209.11763	5.0
209.70862	1.2
211.13248	1.3
213.14801	2.3
227.12772	11.6
229.14334	44.8
229.19363	2.6
239.17902	2.1
245.13792	1.0
247.20720	2.0
251.16336	1.5
253.14412	1.7
255.15933	13.9
257.18979	4.9
265.14331	2.3
267.15857	7.5
269.17474	33.2
275.20065	19.7
283.15457	6.6
285.16873	1.2
291.19553	2.5
293.21054	2.3
301.16486	13.1
339.18390	1.1
349.23749	18.9
367.24744	4.1
399.23764	22.5
409.25797	10.3
411.27563	1.5
413.21664	2.3
423.27386	30.4
447.27945	1.2
459.27216	1.6
477.28397	3.0
481.27609	2.3
495.29553	7.8
503.33646	7.9
513.30212	1.3
521.34332	1.8
553.33899	1.3
575.35278	3.1
579.34967	4.9
593.36804	38.1
594.37366	1.4
638.03345	1.1
666.14893	1.1
673.42450	4.8
691.44684	5.0
719.35370	1.6
733.24731	1.2
846.57025	1.2
863.43066	1.2
888.49506	4.0
889.47290	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03784	0.4
65.04066	0.5
67.05317	0.7
67.05628	0.7
69.03201	0.6
69.03612	2.0
71.05144	0.5
79.05246	0.5
79.05647	0.7
81.03095	0.8
81.03618	1.8
85.02551	0.8
85.03104	1.8
87.01000	1.0
91.05636	0.7
93.05934	0.5
93.06723	0.7
93.07233	0.8
94.06135	0.7
94.06789	2.8
95.07502	0.7
96.07675	0.6
96.08359	2.2
97.03111	1.3
99.04640	0.8
101.41030	0.4
106.06774	0.6
107.07545	0.7
108.07580	0.8
108.08364	3.6
109.03105	1.1
110.09116	0.8
110.09942	3.5
114.86981	0.3
116.82267	0.3
118.05801	0.4
120.04665	0.4
120.07438	0.7
120.08379	3.9
122.05341	1.2
122.06300	5.9
122.09051	0.5
122.09917	1.1
124.07760	0.4
127.04125	0.7
134.06197	0.5
136.06737	0.9
136.07874	6.1
138.08260	1.0
138.09442	6.1
148.07875	2.0
150.09468	1.6
166.07480	0.9
166.08987	10.6
198.08199	0.5
204.13998	0.5
207.53598	0.4
211.08972	1.4
221.11166	1.5
225.10504	0.6
235.09041	1.1
236.09770	0.4
237.10721	1.0
247.09132	1.6
248.09853	1.2
249.10249	10.1
250.11456	0.9
251.12285	1.1
261.10651	1.5
263.08585	0.6
263.12158	1.1
265.09982	1.0
275.08572	1.3
277.09726	8.1
279.11545	0.5
291.11743	1.4
293.09564	1.0
300.12695	0.5
309.12357	6.6
310.13358	0.7
311.14508	0.5
312.11899	0.7
314.13370	0.6
316.15158	0.4
321.08939	0.7
322.13806	0.7
323.14548	0.9
324.12097	0.5
324.15604	0.7
325.12714	0.6
326.13431	1.6
327.14224	0.9
328.11423	0.7
328.15076	0.9
329.11954	0.5
336.15244	0.8
337.12659	0.7
337.16351	0.8
338.13358	0.8
338.17004	1.3
339.14713	0.9
340.11081	1.6
340.14902	2.5
341.11737	1.0
341.15778	1.3
342.12738	1.6
342.16544	1.1
343.13605	1.3
344.14371	0.7
349.12488	0.7
350.13040	0.6
351.14264	0.9
352.11130	0.6
352.14987	1.1
353.12299	1.3
354.12308	5.1
354.15497	0.9
355.13046	3.3
356.14273	3.1
356.17603	0.9
357.14996	0.8
358.15698	0.7
364.14404	4.1
365.15622	0.7
366.12534	1.1
366.16492	3.1
367.13510	3.1
368.10278	0.7
368.14008	7.5
369.14792	5.3
370.11880	0.5
370.15573	2.2
371.12631	0.8
371.16754	1.3
377.11777	0.5
379.13596	0.8
380.14322	1.5
382.12036	3.5
382.15970	5.0
383.12628	0.9
383.16623	2.2
384.12799	0.4
384.17111	6.9
385.14511	0.5
386.15356	1.5
392.13858	3.7
394.15973	1.7
395.12881	2.0
396.13321	5.6
397.14038	2.4
398.18741	11.2
400.16962	1.1
401.17966	0.5
402.14859	1.1
403.15326	0.5
408.13889	0.5
410.15009	5.8
411.15982	0.7
412.16531	8.3
413.13849	0.8
414.14261	2.3
415.15088	1.8
416.16046	0.5
420.13840	1.7
426.14862	2.7
426.18954	1.7
428.16116	5.6
429.17087	1.0
430.17667	0.5
433.18088	0.4
438.14502	25.7
439.15234	1.2
441.13773	0.5
442.17786	3.0
444.19937	6.1
452.16284	1.3
456.15540	33.2
457.16098	1.0
458.17166	7.3
470.17117	2.8
473.16431	0.5
476.18176	25.1
477.18832	0.8
488.18188	19.1
502.19962	0.8
532.70142	0.5
547.23743	0.6
563.22723	1.0
581.23975	0.5
591.22443	3.9
595.25366	2.5
609.23376	19.4
610.23547	0.5
613.26288	0.8
623.25012	18.6
624.25684	0.6
641.26068	100.0
642.26392	2.9
683.27209	0.5
813.29938	0.5
827.31091	0.9
839.27667	0.6
845.32269	4.3
857.28717	5.0
871.29535	0.8
888.42828	0.7
889.30481	13.2
890.31274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01880	0.6
70.06595	3.3
84.04479	1.6
110.07146	1.6
112.27039	0.5
112.76958	0.5
153.05209	1.2
177.05472	0.5
196.68005	0.5
266.15253	0.5
298.17715	1.4
352.22803	0.6
378.20154	0.5
396.21484	14.8
419.55310	0.6
422.18073	0.5
428.23965	4.6
440.20447	100.0
441.20657	2.0
458.21631	3.1
472.23074	70.7
481.23062	1.4
503.32971	0.6
889.43237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.9
67.05537	0.6
68.99823	0.6
69.03427	3.8
69.46887	1.6
69.47279	1.2
70.60754	0.6
71.05010	0.6
71.56932	0.6
79.05503	1.1
80.05015	1.3
81.03418	4.3
82.06588	0.8
85.02905	4.0
87.00833	3.0
89.03934	0.5
91.05491	1.3
92.05003	0.5
93.05785	0.7
93.07069	1.4
94.06560	5.0
95.04972	1.1
95.07362	1.3
96.08137	4.0
97.02888	3.3
97.06564	0.6
99.04467	1.4
103.05530	0.6
105.01909	1.3
106.06577	1.3
107.07343	0.8
108.04486	1.2
108.08115	9.5
109.02876	5.9
110.09676	5.8
116.05003	2.3
118.06524	0.8
120.04469	3.3
120.08115	6.3
122.06033	7.6
122.09692	2.2
124.07595	5.0
127.03898	5.8
134.06024	2.4
134.14738	0.5
136.07573	12.6
138.05539	0.9
138.09134	8.9
144.04468	4.2
144.08075	0.5
145.04924	0.9
146.06006	6.9
146.09520	0.6
148.03879	0.5
148.07571	4.0
150.05469	0.6
150.09148	4.3
152.07047	2.4
158.06061	0.6
158.09723	0.5
160.03934	3.9
162.05469	3.8
164.07094	1.4
166.08638	23.3
172.03932	26.7
172.07509	1.2
173.40154	0.5
174.05498	3.1
174.09201	0.8
175.06287	0.5
176.07050	3.3
178.04988	0.7
182.09782	0.8
183.09259	0.9
186.05557	1.4
186.09203	1.1
187.08749	0.6
190.04977	17.7
190.06598	1.0
192.06648	0.7
196.09825	0.6
197.10771	1.9
199.12334	1.9
204.06561	49.1
205.06964	0.6
208.09897	0.7
209.10851	1.4
210.09203	1.6
211.08731	3.7
211.12260	0.7
212.09402	2.5
213.10307	1.8
213.13779	0.8
222.07697	2.0
223.12309	1.1
224.09442	1.6
225.10226	9.6
226.10883	0.9
227.11795	11.2
231.05037	0.8
233.10809	0.7
235.08795	0.6
236.09503	2.1
237.10249	3.4
238.11095	1.3
239.11848	4.5
240.12564	0.7
241.09770	1.8
241.13396	1.2
245.12973	0.6
249.10268	2.1
250.11073	1.7
251.08244	1.1
251.11797	4.2
252.08778	0.7
252.12799	0.7
253.09726	5.9
253.13358	1.4
255.11348	1.8
263.08282	1.0
263.11771	0.7
264.08826	3.2
265.09769	2.8
266.10526	1.8
267.11249	3.7
269.12833	13.3
271.10779	11.3
273.12363	2.9
277.09824	2.2
278.10400	1.2
279.11313	6.4
280.12091	1.1
281.09464	0.9
281.12897	3.2
283.10727	6.7
283.13168	0.5
284.11475	5.6
285.12253	6.3
286.13336	1.4
287.13846	11.5
287.16791	0.7
294.10147	0.8
295.10889	2.1
297.12286	10.8
297.15326	0.9
299.14005	5.2
307.10724	2.9
309.12372	1.9
310.13205	0.8
311.10349	0.7
311.14072	1.3
312.15234	1.1
313.12305	1.8
314.13046	1.8
315.13831	1.5
316.11105	1.2
316.14603	1.6
317.15305	0.8
321.08783	0.7
321.12283	1.2
323.10220	7.8
325.11826	16.5
326.12958	0.9
326.16623	1.9
327.13617	2.6
327.17395	1.5
328.10855	2.8
328.14627	2.0
329.11649	0.9
329.15250	2.4
330.12537	1.3
330.16129	2.8
331.16919	1.5
337.12164	0.6
338.12955	0.7
339.13583	2.9
340.14551	1.2
341.11844	1.2
342.12326	6.7
342.15881	0.8
343.13022	6.4
343.16846	0.6
344.13989	1.6
344.17749	1.0
352.14557	0.9
353.12268	0.7
354.12167	0.8
354.16098	1.3
355.13464	2.0
355.17279	0.8
356.13968	5.9
356.17526	0.7
357.14478	22.9
358.15475	4.9
365.11401	1.8
366.16089	1.3
367.13098	1.0
368.94830	0.7
370.11652	0.9
370.15570	5.9
371.16177	2.3
372.17126	1.9
374.14963	0.7
375.15460	1.0
378.18039	1.4
380.14117	1.8
382.11749	3.7
383.12662	2.1
384.13165	4.6
384.16321	0.7
384.17584	1.1
385.14267	2.0
386.14478	2.9
386.19141	3.1
387.15741	0.9
388.16745	1.1
390.18106	3.0
394.15457	2.0
396.17572	1.0
397.14651	1.6
398.14993	22.4
399.15793	32.2
400.16528	3.2
402.18237	1.9
403.15057	0.6
404.16013	7.5
404.20740	0.7
412.16574	3.7
414.18387	4.8
415.16232	0.8
416.15997	18.9
417.16742	1.4
422.17029	2.9
428.15924	6.4
429.16574	0.6
430.17685	5.9
440.16046	13.4
446.17154	7.4
447.17624	0.9
448.18735	1.0
458.17117	34.4
459.17700	0.9
460.18661	0.6
472.18756	0.7
477.19324	0.7
478.19962	2.1
490.19690	11.1
491.20081	0.7
504.29669	2.4
523.23608	1.1
529.17902	0.6
541.24835	0.8
547.19446	0.8
551.23206	0.6
555.15942	1.3
561.21008	0.6
565.24457	1.2
569.24213	2.9
573.17126	19.2
575.23090	1.2
577.19928	1.4
583.25446	1.2
593.23846	6.4
595.25739	1.1
605.19562	4.4
611.25012	100.0
612.25085	3.5
625.26526	1.1
643.27502	15.5
761.20233	0.6
771.32733	1.0
773.30566	3.1
797.30792	0.7
815.30981	5.8
817.29480	1.9
841.29816	1.3
859.30219	46.5
860.30725	2.3
891.31805	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	891.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31541	0.6
65.03904	0.7
67.05508	1.1
69.03440	4.6
69.50895	0.6
70.06590	0.7
71.04982	1.0
79.05497	1.8
81.03414	6.3
81.07067	1.5
82.31309	0.6
83.04925	0.6
85.02903	4.1
87.00829	2.1
91.05498	2.2
92.05000	0.9
93.05801	1.0
93.07059	2.6
94.06585	4.7
95.04955	1.1
95.07347	1.4
95.08630	1.0
96.08139	5.0
97.02882	4.1
99.04475	1.2
101.51925	0.7
103.05486	0.8
105.01857	0.9
105.07029	1.5
106.06570	1.2
107.07359	1.3
108.04468	2.9
108.08125	8.6
109.02885	6.1
110.06084	1.0
110.09689	5.6
116.04989	2.8
117.05791	0.6
118.06554	1.0
119.08579	1.0
120.04462	4.0
120.08115	7.1
122.06026	8.0
122.09673	2.5
124.07616	5.9
127.03935	6.6
133.06554	0.7
134.06046	2.6
136.07574	11.3
137.08391	0.9
138.09143	8.5
141.07036	0.7
144.04451	5.3
145.04974	0.9
145.10133	0.9
146.06036	7.2
146.09720	0.8
148.07570	5.2
150.09116	4.2
152.07094	2.1
159.02960	0.9
160.03969	2.7
160.07602	0.9
162.05522	3.7
164.07144	1.5
166.08647	24.5
166.10028	1.2
167.07278	0.9
172.03946	27.4
172.07567	1.1
174.05539	2.8
175.41992	0.6
176.07076	3.0
178.08676	1.1
182.09758	0.8
183.09192	0.7
184.09955	1.4
186.05461	1.3
186.09311	0.8
190.04982	17.1
190.06621	1.2
194.09666	0.9
196.07822	0.8
197.10791	2.1
199.12343	2.3
204.06564	42.0
204.13893	0.9
207.09113	0.7
209.10794	1.8
210.09296	1.3
210.11330	0.6
211.08669	3.6
211.12241	1.4
212.09512	2.7
213.10303	1.1
222.07687	2.3
223.08710	1.7
223.12242	0.9
224.09436	1.7
225.10211	7.9
226.11008	0.8
227.08344	0.9
227.11783	14.1
228.12578	0.7
231.04901	0.9
233.10876	0.7
235.08754	0.9
236.09550	2.5
237.10234	3.2
238.11076	1.8
239.11818	5.3
241.09749	1.7
241.13365	1.6
245.12953	0.9
248.09546	0.7
249.10234	3.3
250.11035	1.8
251.08092	0.8
251.11888	3.9
252.08995	1.2
253.09721	7.2
253.13445	0.9
255.11299	3.6
262.11099	0.9
263.08121	1.6
264.08771	3.4
265.09851	3.1
265.12772	0.6
266.10577	2.6
267.11255	3.0
269.09903	1.1
269.12866	11.3
270.10202	0.8
271.10757	8.8
273.12296	3.2
275.12738	0.8
277.09769	2.0
278.10727	0.8
279.11246	5.4
280.12131	1.3
281.09583	1.1
281.12946	2.2
283.10852	6.2
284.11456	4.3
285.12323	4.9
286.13159	1.3
287.13934	9.3
291.11346	1.3
294.10071	0.9
295.10944	2.0
296.11795	1.2
297.12332	9.3
299.14026	5.2
300.11905	1.1
305.09351	0.9
307.10693	3.5
309.12457	2.1
310.13364	0.8
311.14145	0.9
312.15036	1.8
313.12430	1.5
314.13144	2.0
315.13770	1.7
316.10898	1.0
316.14456	2.3
317.15338	0.9
319.10724	0.8
321.08817	0.7
321.12427	1.6
323.10223	6.9
323.13715	0.8
325.11823	13.9
326.12704	1.3
326.16580	2.4
327.13773	1.5
327.17468	0.7
328.10895	2.2
328.14551	3.1
329.11682	1.1
329.15332	1.7
330.12354	1.9
330.16058	1.8
331.16772	1.7
335.10001	0.7
337.11795	0.9
339.13528	2.7
340.14670	0.8
341.11768	0.9
342.12488	7.2
342.16272	1.6
343.13071	4.6
344.13916	1.8
352.14777	1.4
354.12439	1.2
354.16321	1.3
355.13348	2.2
356.13943	7.5
356.17685	0.9
357.14490	21.6
358.15787	3.5
365.11447	1.9
366.16113	1.8
367.13397	1.4
368.17801	0.9
369.11096	0.8
369.15518	1.2
370.11694	0.9
370.15619	5.6
371.16275	2.6
372.17072	1.0
375.15598	0.9
378.18250	2.0
380.13876	2.1
382.11792	4.0
383.12531	3.5
384.13519	5.5
384.17740	1.0
385.14105	3.1
386.14923	2.2
386.18826	2.7
388.16772	1.0
388.21176	9.1
389.21576	2.0
390.18289	3.1
394.15588	1.8
395.16171	0.7
397.14349	1.7
398.15009	21.3
398.20203	1.1
399.15808	29.8
400.16443	4.1
401.13779	1.0
402.18353	1.0
404.16110	5.8
404.20688	2.0
405.21121	0.7
410.15225	1.2
412.16483	2.9
414.18311	5.0
416.16058	17.9
417.16876	1.0
422.16141	1.9
428.16095	6.3
430.17508	4.5
440.16144	10.9
441.16455	1.0
442.17865	0.7
446.17212	8.9
448.18674	0.9
458.17123	32.9
459.17691	1.3
478.19974	2.1
490.19757	11.6
491.20078	0.8
520.20667	0.8
523.23456	1.1
547.18958	0.8
551.22772	1.0
555.16278	2.1
565.24561	1.8
569.23914	2.0
573.17133	21.8
577.19891	1.1
583.25275	1.4
587.18518	0.9
591.17664	0.9
593.23907	7.8
605.20093	4.1
611.25006	100.0
612.25305	3.1
643.27637	13.9
644.27405	1.0
771.32397	0.9
773.30505	3.8
815.31415	5.3
817.29089	2.3
841.28906	1.2
859.30298	46.1
860.30579	2.0
891.32269	4.8
920.68738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53312	0.2
68.05010	0.7
69.04527	0.8
69.79472	0.4
69.79799	0.4
70.02950	1.2
70.06545	0.3
72.08150	6.8
80.78030	0.2
81.04534	5.2
82.05315	4.2
83.04987	0.3
83.06103	9.5
85.04011	0.3
86.09704	10.5
87.05584	0.3
87.10007	0.3
91.05480	1.7
93.04520	7.2
94.04050	0.3
94.05302	2.9
95.06087	6.2
96.04459	0.3
96.08108	0.6
107.04961	0.3
107.82397	0.2
108.05563	0.4
109.04000	0.8
109.06375	1.0
110.07159	100.0
111.05550	0.6
111.07484	0.6
111.09210	0.5
113.03476	0.9
116.03407	0.3
118.05753	0.4
118.06532	4.7
120.05596	2.6
120.08129	0.4
121.04029	0.3
122.07156	1.6
123.05521	0.4
124.05063	0.2
124.51138	0.2
125.03496	1.1
130.06496	0.6
131.04916	0.3
132.04434	0.4
133.06332	0.7
134.06009	1.6
134.07100	0.6
135.42374	0.2
136.05099	0.5
136.07602	0.9
137.08200	0.5
138.06616	2.5
138.09114	0.5
139.05048	0.3
139.08687	0.5
141.10216	0.6
146.05994	4.7
147.09175	0.8
148.05031	0.3
149.10748	0.5
152.04601	0.4
154.06137	0.2
155.09236	0.4
155.11795	0.8
158.06038	1.5
159.09140	0.4
160.03899	0.4
160.05074	0.3
161.08220	0.4
162.06674	0.4
163.07332	0.2
164.04572	0.6
164.11829	13.7
165.07677	1.8
166.06113	21.8
173.07022	0.4
174.05450	0.5
175.08760	0.2
176.11832	4.1
177.07706	0.7
179.09232	0.2
180.11290	0.5
181.09712	0.6
182.05992	0.2
184.03963	0.5
186.05540	0.3
189.07895	1.0
190.12241	0.2
191.12885	0.4
192.11346	0.8
193.14594	0.6
198.12334	0.2
201.06499	1.2
202.05011	0.8
204.08867	0.3
205.07208	1.7
206.10431	0.6
207.08678	0.4
208.10815	2.5
209.13971	7.2
211.62117	0.2
214.12289	0.4
219.07742	0.7
219.12395	1.1
220.10799	14.4
222.09137	0.6
225.06651	0.4
225.13541	0.2
226.05035	0.4
229.06079	0.4
232.08336	0.5
233.06671	2.4
234.09190	0.3
236.15071	0.8
237.13449	36.0
243.07689	0.6
243.14977	0.3
246.09026	0.4
247.07193	0.4
250.09354	1.5
252.09821	0.8
254.16176	0.4
260.07791	0.5
260.15152	0.4
261.06104	0.3
262.08734	0.2
264.10214	0.4
269.05435	0.3
269.12894	0.4
273.13483	0.2
279.11264	0.3
286.08298	0.4
288.14493	3.0
291.09845	0.3
297.05341	0.2
300.14731	1.3
303.11127	0.3
305.09406	0.3
305.17258	0.7
307.10782	0.7
314.07651	0.2
314.09229	0.2
314.12479	1.7
318.15536	0.3
328.14041	0.7
331.10822	0.6
331.15176	0.6
332.12927	1.1
349.16168	6.0
371.16925	0.4
376.18719	0.2
391.17316	0.6
399.16580	0.3
410.13440	0.7
416.19254	1.1
420.19138	0.7
427.15973	0.5
442.16663	0.2
444.18753	8.5
462.24536	3.9
464.21335	1.2
475.18198	0.5
492.20840	1.8
504.22339	0.5
532.21869	2.4
549.22754	1.9
581.25183	1.1
609.25140	0.3
610.24615	0.3
615.25195	0.5
627.27295	0.3
637.25958	4.5
652.31866	0.2
655.27197	2.7
680.31433	16.2
681.31812	0.3
686.30072	0.2
757.36450	0.3
768.34479	4.7
774.32153	0.5
785.35779	1.3
792.33051	1.9
802.30994	0.3
830.35651	0.3
852.11371	0.2
856.35498	0.3
863.39893	0.5
873.38763	3.8
874.40088	0.3
891.39868	15.2
892.40259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05031	0.5
69.04539	0.7
70.02946	1.1
70.06599	0.6
72.08157	6.3
81.04539	3.9
82.05325	4.0
83.06104	7.6
86.09190	0.7
86.09705	12.4
87.05572	0.3
91.05473	1.2
93.04523	7.2
93.34076	0.3
94.05313	2.4
95.06084	6.4
108.05656	0.5
108.35406	0.4
109.03989	0.7
109.06380	0.7
110.07159	100.0
111.05553	0.6
113.03461	1.2
118.06525	3.9
120.05601	2.4
120.08099	0.4
121.03984	0.6
122.07185	1.5
125.03509	1.2
133.06380	0.8
134.06010	1.5
134.07039	0.5
136.05049	0.5
136.07599	0.7
137.08263	0.4
138.06615	3.6
138.09132	0.7
139.08676	0.5
146.06013	4.7
147.09175	0.9
152.53630	0.4
155.09290	0.4
155.11806	0.6
158.06035	1.1
161.08228	0.4
162.06647	0.5
164.04565	0.8
164.11841	13.1
165.07755	2.0
166.06117	24.1
173.07095	0.4
174.05540	0.4
176.11862	4.1
179.33319	0.4
181.09764	0.8
184.04004	0.7
186.05693	0.4
189.07759	0.5
192.11368	0.8
193.14563	0.9
201.06538	0.7
202.05019	0.5
204.08850	0.4
205.07188	1.8
206.10324	0.8
208.10817	2.8
209.13971	8.5
219.07686	0.9
219.12509	0.8
220.10788	18.3
222.28732	0.4
225.06549	0.6
225.13564	0.4
233.06664	2.2
236.15125	0.9
237.13449	41.2
243.07751	0.6
250.09346	2.1
252.09839	0.9
260.07788	0.8
260.15283	0.4
261.06119	0.4
264.10184	0.4
269.05737	0.4
273.13608	0.4
286.08505	0.5
288.14493	3.1
300.14661	1.3
305.17206	0.6
307.10825	0.6
314.12350	1.7
315.10922	0.5
328.14035	0.7
331.10654	0.5
332.13684	1.5
349.16159	7.2
359.17014	0.4
371.17111	0.6
391.17352	1.0
399.16507	0.5
406.29697	0.4
410.13675	0.7
416.19409	1.0
427.16150	0.9
444.18765	9.9
444.24438	0.7
462.24515	4.8
464.21820	1.0
475.18420	0.4
490.19614	0.4
492.21176	2.1
504.22128	0.4
532.21613	2.6
549.23029	2.1
581.24847	1.1
615.25537	0.5
623.14453	0.3
637.26178	5.7
655.27460	3.1
680.31470	18.8
681.32013	0.8
728.34155	0.5
746.88751	0.4
757.35071	0.3
768.34460	5.6
785.35876	2.1
792.32898	1.6
820.32794	0.6
873.38831	4.4
891.39899	15.7
892.39722	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	891.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.0
69.03432	3.5
69.07063	0.5
71.05000	0.8
73.02919	3.2
79.05491	2.1
81.03419	5.2
81.07057	2.2
83.04982	0.7
83.08629	1.3
85.02912	5.9
85.06553	0.5
87.04481	0.5
91.03955	2.5
91.05479	3.1
93.07035	1.6
95.04996	1.4
95.08600	0.8
96.08118	0.4
97.02898	5.2
97.03477	0.4
97.06586	0.7
97.10222	0.3
101.02361	1.6
103.03970	0.5
105.07037	1.9
107.04997	1.0
107.08626	1.2
109.02898	0.8
109.06512	0.4
111.08095	0.9
115.03934	0.6
119.08593	1.8
120.08116	0.6
121.10182	1.3
127.03921	2.1
129.07050	1.1
131.08609	1.0
133.10162	1.2
137.06039	0.8
145.04939	0.5
145.10184	0.5
147.11705	1.3
149.09692	1.1
151.03987	0.3
157.10085	1.5
173.09592	0.3
175.11218	1.0
185.04321	0.6
193.12263	2.5
194.11855	0.3
197.15508	0.4
203.05322	0.5
204.06696	0.4
204.13954	1.2
205.14209	0.3
211.13350	0.7
225.15128	0.4
233.17743	0.4
243.08488	1.2
251.12555	0.3
267.16061	0.5
275.12875	0.3
278.17810	0.5
279.11124	0.3
283.15109	2.7
285.16925	0.3
339.17975	0.7
347.09595	2.8
363.09183	0.4
365.10663	1.2
388.21213	2.1
389.21600	0.8
405.13602	5.5
447.09283	0.3
469.20419	7.8
501.23068	9.2
504.29526	3.9
515.74762	0.3
526.07623	0.4
567.32104	0.4
603.26379	0.4
631.25708	8.7
643.27338	0.4
663.28259	8.4
664.28503	0.4
711.35602	1.2
729.36554	3.1
891.41925	100.0
892.42322	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	892.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	0.6
69.17842	0.7
69.18248	1.6
70.06590	100.0
74.64416	0.4
77.01299	0.4
98.06053	51.6
98.22718	0.8
106.21983	0.4
110.07166	0.6
116.07088	13.0
126.05512	47.1
129.26299	0.3
151.12296	3.7
165.10255	0.8
167.11801	14.1
177.10413	0.4
179.11755	2.0
193.09830	0.4
195.08661	0.5
195.09746	0.4
195.11285	30.8
213.12334	60.7
214.12744	0.4
223.10838	1.0
237.13428	0.4
237.81972	0.4
264.17105	2.2
292.16568	3.6
302.08652	0.4
310.17596	47.6
311.18100	0.5
315.60117	0.3
330.49780	0.4
334.50885	0.4
361.22495	1.3
389.21915	1.3
407.22882	18.9
415.44794	0.4
450.86188	0.4
458.27637	0.5
504.28168	75.6
505.28299	2.3
601.33398	6.1
601.43140	0.4
602.34509	0.4
698.38696	57.1
699.38855	2.5
795.42902	1.1
892.49261	12.5
893.50238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37852	0.3
67.40531	0.2
68.05028	0.6
69.38452	1.2
70.06590	100.0
71.06913	0.4
75.62465	0.2
78.84403	0.2
82.06589	0.4
87.79431	0.2
98.06051	55.2
99.86996	0.3
116.06413	0.2
116.07092	12.6
126.05510	50.3
127.05869	0.3
137.10645	0.3
137.27116	0.3
151.12285	3.4
154.60695	0.2
165.10211	0.8
165.85329	0.2
167.11794	13.5
173.88988	0.3
177.10281	0.4
179.11792	1.6
182.06664	0.3
193.09714	0.3
195.09755	0.4
195.11287	27.9
213.12331	59.7
214.12706	0.8
223.10802	0.7
251.66084	0.3
264.17053	2.1
286.03229	0.3
292.16556	3.1
310.17590	44.7
311.18051	0.9
361.22488	1.0
389.21954	1.1
402.79596	0.3
407.22876	16.5
408.23376	0.5
458.27985	0.5
504.28156	73.1
505.28278	2.3
601.33337	5.5
602.33771	0.4
698.38690	55.6
699.39154	2.4
795.44086	1.5
892.49127	12.3
893.49139	0.6
906.88281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.1
69.03452	4.5
70.06582	2.1
71.44773	1.2
73.02909	1.5
79.05479	2.8
81.03407	6.0
81.07107	0.9
85.02892	5.9
87.00814	2.0
91.05496	2.9
93.07047	2.3
94.06582	4.5
95.04984	1.9
95.07323	1.0
95.08613	1.4
96.08128	5.1
97.02877	3.9
99.04447	1.4
105.01887	1.7
105.07039	2.3
106.06530	2.7
107.04977	1.1
107.07375	2.5
107.08584	2.3
108.08120	10.8
109.02878	7.2
110.06113	1.1
110.09663	6.4
116.05007	1.5
120.04453	2.1
120.08110	8.0
121.06490	1.1
122.06023	12.5
122.09661	5.7
124.07603	4.7
127.03906	6.5
132.08058	2.5
134.06018	2.7
134.09708	0.9
136.07576	21.3
137.05949	1.5
137.08421	1.3
138.05513	1.4
138.09148	9.9
144.04440	2.4
145.10144	1.3
146.06012	9.4
148.07579	13.7
150.09140	15.8
152.07069	19.3
152.08224	1.8
160.03969	1.1
160.07567	1.5
162.05531	2.9
164.07037	5.9
165.09056	1.3
166.08629	44.4
172.03929	20.4
174.05498	2.4
174.09062	1.6
176.07050	1.7
182.08128	1.2
184.19835	0.9
186.05530	1.5
190.04985	13.0
197.10765	2.0
198.11542	3.0
199.12225	1.2
204.06540	28.3
205.04704	9.3
209.10629	1.8
210.09398	1.3
210.11559	3.4
211.08885	1.1
211.12289	3.6
212.13139	1.2
218.08151	1.9
222.07564	2.5
223.12317	3.0
224.13062	1.3
225.10226	5.9
225.13843	2.2
225.27965	0.9
226.11009	4.1
227.11821	4.3
229.13264	1.2
235.08617	1.2
235.12225	1.4
237.10168	5.0
238.10980	6.9
239.11803	7.2
240.12486	1.8
246.07605	1.4
248.09421	1.8
249.10236	6.4
250.11069	4.9
251.08046	1.5
251.09264	1.4
251.11743	12.4
252.09309	0.9
252.12550	3.1
253.09702	2.6
253.13371	4.2
255.11353	4.7
256.12106	1.6
257.12949	1.1
259.14432	1.1
262.11108	1.2
263.07950	1.2
263.08871	1.3
263.11807	16.5
264.08978	3.1
264.12598	4.0
265.09653	6.5
265.13342	8.5
266.10522	3.8
267.11273	16.7
269.12833	3.9
271.14432	3.6
273.12460	2.4
277.09830	1.9
278.10565	2.6
279.11276	26.6
280.12033	4.4
281.09665	1.5
281.12772	8.4
282.09967	1.8
282.13464	1.5
283.10840	2.8
284.11624	8.0
285.12332	27.7
286.12692	1.1
287.13959	1.9
291.11282	13.9
292.11993	3.9
293.12839	11.4
295.10822	4.2
296.11435	3.9
297.12332	36.2
298.12939	2.4
299.13919	5.5
307.10849	3.9
309.12274	16.7
310.13156	2.7
311.10205	4.1
311.13910	4.9
313.11923	2.3
319.10632	8.7
321.12305	10.7
323.10370	7.7
325.11862	14.4
326.12650	1.4
327.13345	7.4
329.15503	1.3
330.15909	1.6
337.11792	43.4
338.12305	1.8
339.13406	6.6
340.14148	1.2
343.12628	1.4
344.13739	1.3
351.13300	2.1
355.12909	1.7
356.13889	1.6
357.14371	7.2
358.15500	1.5
359.16080	1.4
367.12793	2.2
369.14432	3.9
371.16095	2.4
372.17252	1.5
375.30939	1.0
386.14609	1.4
388.16525	1.2
388.21204	3.3
392.19247	1.3
400.16101	1.5
402.18076	1.4
404.19733	2.8
412.16681	2.1
414.18057	1.5
416.19852	1.1
418.17456	2.7
422.20749	1.2
430.17728	5.2
432.19110	3.9
442.17548	2.5
446.20917	1.9
448.18613	16.9
449.19492	6.5
450.20123	6.9
460.18738	11.6
462.20108	2.0
472.18491	2.9
474.20361	6.3
476.18121	2.4
477.18893	4.7
478.19601	2.8
480.20947	3.1
490.19720	20.7
492.21448	6.5
505.29202	1.4
506.22812	2.0
522.22174	3.8
573.17480	6.6
595.25464	7.7
605.19781	2.0
607.21033	2.0
613.26514	100.0
614.26776	2.0
636.25818	1.7
645.29126	5.8
678.26306	2.0
686.27643	1.2
694.25647	3.6
697.24963	5.0
698.26074	5.5
698.36664	1.4
738.24835	14.7
739.25464	2.9
740.26678	4.5
770.27643	12.3
771.28601	4.6
775.30627	1.6
817.32086	2.1
843.28992	1.4
861.31653	22.3
862.31342	1.5
893.32080	19.1
902.93384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05412	5.8
67.05811	0.9
69.03333	2.1
69.06987	1.2
69.07320	0.4
69.40076	0.4
70.06509	0.4
71.04915	0.6
73.02820	2.6
79.05396	2.1
81.03318	1.8
81.06956	3.6
83.04903	0.7
83.08549	0.7
85.02809	3.9
85.06475	0.4
87.04377	0.5
89.50311	0.4
91.03847	2.6
91.05384	2.1
93.06937	2.1
95.04916	0.9
95.08505	1.7
97.02786	3.3
97.06467	0.6
98.22675	0.8
99.04333	0.5
101.02271	1.4
105.06922	1.8
107.08531	1.0
109.02715	0.4
109.10164	6.1
111.08054	0.6
119.08446	1.3
121.10046	0.7
123.08035	0.4
123.70803	0.4
127.03780	1.4
127.43664	0.4
133.10049	0.9
135.11595	0.8
136.39613	0.5
137.09486	0.4
145.04932	0.4
145.10034	0.5
147.11607	0.6
173.11621	1.9
185.04091	1.1
195.09813	0.9
197.45580	0.4
201.03514	0.5
203.05116	0.5
229.14310	1.1
243.08382	3.0
251.12492	0.7
265.88959	0.5
287.13901	0.5
301.08890	1.9
315.10419	0.5
333.20355	2.9
373.10950	1.0
380.19077	0.5
385.18295	1.2
389.22803	0.9
413.17825	12.1
413.23294	0.8
429.17221	0.7
431.23734	0.5
439.19211	1.7
441.20746	0.4
453.20712	1.5
469.20334	1.1
477.24545	0.7
481.20673	0.7
500.22079	0.8
515.33679	0.7
541.22583	5.0
551.28198	8.1
561.34113	1.2
583.27057	0.8
610.29456	1.0
623.30554	1.7
625.31940	2.9
670.20898	0.5
693.38330	0.5
705.38422	0.5
721.38062	1.0
723.39185	100.0
724.39655	4.6
749.40808	1.2
751.42017	3.9
779.41412	3.3
795.41718	0.8
893.48682	25.8
894.48517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03876	0.3
67.05409	5.6
67.05810	0.7
69.03336	2.3
69.06976	1.6
69.20806	1.4
71.01287	0.5
71.04920	0.5
73.02818	2.9
73.98681	0.2
77.63197	0.2
79.05394	2.2
81.03312	1.8
81.06954	3.7
83.04899	0.6
83.08522	0.9
83.38990	0.2
83.53538	0.2
84.01467	0.2
85.02807	4.1
85.03361	0.3
85.06429	0.3
87.04406	0.2
91.03844	2.7
91.05375	2.1
91.06013	0.3
93.06930	2.8
95.04846	0.9
95.08502	1.7
97.02776	3.5
97.06452	0.5
97.10119	0.4
99.04340	1.0
101.02259	1.6
105.07012	1.3
107.04851	0.2
107.08589	1.3
109.02772	0.8
109.06411	0.4
109.10160	4.9
111.07982	0.4
115.03837	0.4
117.05387	0.3
117.06936	0.5
119.08582	1.6
121.10007	0.7
123.07950	0.3
125.09544	0.5
126.29515	0.2
127.03928	1.5
129.05383	0.3
131.08481	0.5
133.10136	1.2
135.11577	0.9
137.09566	0.4
143.08351	0.2
145.04872	0.4
145.10025	0.4
147.11546	0.5
149.13173	0.2
151.11095	0.2
155.10603	0.5
159.11545	0.2
163.11047	0.3
173.11766	2.3
183.06355	0.3
185.04167	1.2
195.09813	0.8
203.05157	0.5
229.14238	0.9
235.13101	0.3
241.06735	0.3
243.08362	3.7
244.04311	0.2
251.12404	0.7
259.07761	0.3
259.33466	0.2
263.12662	0.3
275.19992	0.2
301.08926	2.6
315.10284	0.9
333.20374	3.8
341.11963	0.3
355.13486	0.3
357.14978	0.4
359.21939	0.4
369.15427	0.3
371.16983	0.4
373.10895	1.1
373.23422	0.4
385.18332	1.6
389.22748	0.6
413.17810	13.1
429.17493	0.7
431.23883	0.6
439.19489	1.3
441.21063	0.4
453.20935	0.8
457.20346	0.3
469.20612	1.3
477.24469	0.8
481.20395	0.5
485.19934	0.4
500.22473	0.4
515.33417	0.5
541.22552	5.0
551.28247	9.4
561.34125	0.7
583.27655	0.4
597.29071	0.2
610.29645	1.1
611.30316	0.4
623.30243	2.0
625.31494	1.7
637.31543	0.5
651.33563	0.5
655.32849	0.5
665.34875	0.6
679.36505	0.4
693.37738	0.6
705.38678	0.4
721.37604	1.2
723.39203	100.0
724.39618	4.3
749.40668	1.0
751.42426	3.6
779.42047	3.3
795.41797	0.4
807.41077	0.3
825.41754	0.4
893.48602	23.3
894.48560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.488
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80333	0.5
65.03946	0.7
67.05503	3.3
69.03440	2.2
69.07076	2.5
70.06594	1.2
70.07784	1.0
71.01377	0.6
71.04990	2.1
72.22821	0.6
73.02926	2.7
78.59124	0.6
79.05495	4.0
81.03429	1.7
81.07051	3.7
83.04978	0.8
85.02921	2.1
89.17548	0.6
91.03947	1.4
91.05508	2.2
93.07076	2.4
95.04984	1.7
95.08646	0.9
97.02914	2.7
97.06541	4.2
98.06064	1.0
99.04409	0.7
105.07069	1.3
107.08604	1.6
109.02793	0.6
117.07044	1.0
119.08583	0.8
123.94144	0.6
127.03902	0.7
133.10149	0.9
137.05695	0.6
138.44412	0.6
141.27319	0.6
158.40318	0.6
221.11612	0.7
240.43507	0.7
243.08493	1.9
265.76120	0.7
277.14319	0.8
319.18909	0.9
349.19736	6.8
380.86459	0.6
405.22684	1.4
439.19708	2.3
453.21088	1.6
567.27850	10.3
631.71033	0.7
699.39056	0.9
893.48608	100.0
894.48962	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	894.427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.2
70.06590	16.9
71.08630	1.1
71.45408	0.9
72.08157	1.9
74.09615	0.8
82.87820	0.7
84.08151	1.7
86.09708	3.4
88.07629	4.9
89.90576	0.8
102.09206	2.3
105.03434	1.5
106.15009	0.7
116.06841	0.8
120.89420	0.7
121.02889	1.8
132.10176	5.5
132.80627	0.8
136.27180	0.8
139.03894	1.2
140.64172	0.7
146.11749	6.4
147.04449	1.3
149.02345	77.5
149.03445	7.5
156.26268	0.7
158.54584	0.8
175.03993	2.9
177.05507	1.9
177.91286	0.8
191.07030	1.2
193.04953	41.5
212.23770	1.3
219.06586	2.9
225.78493	0.8
237.07532	8.1
238.25342	1.6
255.08788	0.8
256.26340	10.2
256.28409	0.9
300.28940	22.2
300.32126	1.3
313.07147	0.9
341.06396	3.8
359.07883	2.1
385.09128	6.1
429.11902	1.1
577.13318	7.7
621.16071	8.4
665.18390	1.3
772.26184	1.5
817.78687	0.9
832.40045	4.3
894.42621	100.0
895.43500	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	896.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96066	0.3
67.05501	7.5
69.03427	1.9
69.07068	3.8
71.01315	0.7
71.04959	0.4
71.08635	10.0
73.02918	2.5
74.43904	0.3
79.05486	2.9
81.03428	1.8
81.07056	10.0
83.04942	1.1
83.08140	0.6
83.08615	7.7
85.02906	6.8
85.06502	1.0
85.10188	5.6
89.06036	0.5
89.36116	0.4
91.03463	0.4
91.03952	4.1
91.05488	7.8
92.99946	0.3
93.06544	0.4
93.07043	5.7
95.04981	1.8
95.08047	0.6
95.08605	8.4
97.02892	4.7
97.06488	1.5
97.10168	2.5
98.23495	0.8
99.00815	7.5
99.04417	0.8
99.11679	0.4
103.05428	0.6
103.07555	0.6
105.07030	6.4
105.58804	0.3
107.04947	2.3
107.08598	2.5
109.02881	4.8
109.06500	1.3
109.10170	4.7
111.04401	0.7
111.08080	2.2
111.11707	0.6
115.03920	1.5
117.06982	0.9
119.08587	3.3
119.34510	0.3
121.06517	3.3
121.10135	0.4
123.04383	1.2
123.08057	0.6
123.11712	2.7
127.03917	2.9
128.06145	0.5
131.08553	0.6
132.80960	0.3
133.06488	0.4
133.10123	16.1
135.07965	0.4
135.11705	0.4
135.19817	0.3
137.05977	0.8
137.09601	0.3
137.13171	0.4
139.07497	1.3
143.08583	2.2
144.34302	0.3
145.04926	2.2
145.06404	0.4
147.07986	0.5
151.11172	5.2
161.09619	8.2
163.06015	3.3
165.09114	0.5
171.08055	2.0
179.09222	0.4
179.10681	5.3
189.09106	4.6
197.11717	2.0
207.10100	1.9
225.11201	5.1
239.23657	1.1
243.12296	1.4
257.24701	1.2
281.13885	3.1
293.89252	0.4
299.14890	100.0
300.15143	0.8
313.27356	73.5
314.27753	0.9
369.15445	0.4
379.54126	0.4
537.37878	54.2
538.37866	0.9
676.90497	0.4
721.41364	0.5
723.39136	1.0
724.39508	3.0
896.49573	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.6
69.03424	0.5
71.04981	0.5
73.98484	0.4
75.07614	0.4
79.05479	0.7
81.03410	0.8
81.07048	1.7
85.02898	1.5
87.00867	0.3
91.05484	4.3
93.07020	0.4
97.02901	1.0
97.06515	0.5
105.01877	0.9
105.07046	2.0
106.51428	0.4
109.02872	0.5
109.10178	0.6
115.05494	0.6
117.07026	1.7
119.04948	5.0
119.08605	0.9
120.08163	0.3
121.06518	3.1
127.03964	1.9
129.07014	0.5
131.08566	0.7
133.06502	14.4
133.10060	0.6
137.05968	2.3
142.07764	1.6
145.04997	0.9
147.08031	0.5
147.11691	0.9
157.10136	12.7
160.08887	0.5
175.11194	100.0
176.11507	1.3
207.48186	0.4
231.04962	0.9
238.42917	0.4
266.08649	0.5
284.09775	8.7
348.20334	0.6
388.21204	2.1
458.20157	1.4
596.20105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	24.3
69.03426	3.9
69.07071	10.9
71.01363	2.9
71.05001	3.7
71.08638	22.2
73.02920	4.7
79.05491	17.9
81.03420	15.2
81.07062	28.4
83.01335	1.6
83.04985	11.1
83.08624	11.6
85.02910	16.9
85.06542	1.9
85.10183	12.9
86.63747	1.1
91.03963	5.6
91.05477	12.1
93.07053	21.0
95.04976	7.7
95.08602	25.5
97.02889	13.1
97.06539	5.7
97.10180	5.5
98.23512	2.8
99.04462	3.6
105.07035	5.8
107.04953	11.7
107.08593	13.4
109.06519	3.7
109.10141	11.1
111.04462	8.8
111.08050	1.6
111.11726	1.6
117.07037	6.9
119.07874	1.4
119.08579	7.2
121.06532	2.6
121.10136	9.9
123.08122	2.9
123.11719	4.4
125.06054	1.9
125.09626	1.8
127.03939	3.5
129.07013	1.6
131.08553	8.5
133.10130	1.9
135.08063	3.9
135.11684	14.8
137.09637	3.2
137.13217	1.5
145.04991	5.4
145.06528	1.8
145.10124	18.3
147.08038	3.9
149.09659	2.1
153.12723	12.4
155.08568	2.2
163.06026	3.7
163.11197	28.7
173.09685	6.9
181.12233	9.0
191.10623	11.9
193.11957	1.2
209.11743	24.3
227.12791	18.0
239.23672	2.1
257.24701	2.1
265.14343	9.4
283.15402	64.5
301.13596	1.0
301.16437	63.0
313.27365	100.0
314.27515	2.6
330.45966	1.2
341.26938	2.2
445.20975	1.8
481.40271	1.3
503.37231	9.0
521.38379	89.0
522.38422	2.0
539.39435	96.2
540.39410	3.7
683.43213	1.8
726.39459	1.8
841.78278	1.4
898.47363	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.7
67.05510	11.9
69.03426	1.9
69.07069	6.2
69.55406	0.4
70.72148	0.6
71.04972	1.1
71.08633	19.1
73.02889	1.8
79.05493	7.2
81.03418	52.7
81.07057	15.0
81.65076	0.4
83.04986	2.5
83.08131	1.0
83.08619	16.3
85.02479	0.5
85.02905	5.7
85.06530	0.9
85.09700	0.7
85.10184	10.5
85.45953	0.4
89.06009	1.3
91.03559	0.3
91.03958	3.7
91.04942	0.6
91.05477	10.9
93.07043	5.2
95.04342	0.5
95.04970	15.6
95.08606	16.7
97.02893	3.2
97.06506	0.9
97.10191	4.5
99.08069	0.6
103.05386	0.6
103.07556	0.6
105.07024	6.0
107.04958	3.8
107.08592	2.9
109.06499	1.4
109.10161	7.1
111.04436	1.2
111.08079	4.6
111.11723	1.0
113.05991	0.4
115.05444	1.2
117.06965	1.2
119.08587	6.7
121.06515	1.9
121.10140	3.7
123.04403	1.7
123.08047	1.1
123.11694	2.4
125.13220	0.5
127.03898	1.4
129.06235	0.4
129.07005	5.3
131.08572	5.4
133.06488	2.2
133.10109	2.3
135.07951	0.6
135.11700	0.9
137.05962	0.5
137.09613	0.8
137.13197	1.1
142.07744	1.6
145.04944	2.4
145.10104	1.3
147.04381	0.7
147.08028	1.8
147.11684	4.8
149.09627	3.1
151.14830	0.8
157.10117	5.7
163.06035	3.9
163.11183	1.0
165.12749	0.9
175.11166	6.1
193.12241	22.1
205.12277	0.7
211.13301	1.9
235.13237	1.8
239.23697	1.5
249.14856	1.4
257.24771	2.1
259.13306	1.5
267.15912	100.0
268.16284	1.2
273.14774	0.9
283.15652	0.5
301.13904	2.0
309.16956	3.0
313.27368	94.7
313.60797	0.5
314.27765	1.9
319.15359	0.6
322.97769	0.4
333.16757	0.6
375.18201	0.7
383.18738	0.4
505.38861	84.1
506.39224	2.3
523.39874	3.7
541.40143	0.4
547.40045	6.1
565.40820	0.7
571.39044	0.6
589.41199	0.8
601.41003	2.8
613.41083	1.1
631.41992	3.2
649.43518	2.2
770.24408	0.5
822.32269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50267	0.4
65.03926	0.9
67.05507	10.5
69.03400	1.7
69.07066	6.3
70.71902	0.5
70.72250	0.7
71.04962	0.9
71.08636	18.4
73.02877	1.5
79.05486	7.0
81.03417	48.9
81.07057	14.3
83.04969	2.9
83.08620	17.7
85.02464	0.5
85.02901	4.9
85.10184	10.7
89.06003	1.4
91.03964	3.6
91.04956	0.5
91.05482	8.6
92.49213	0.4
93.07047	4.5
95.04966	14.7
95.08604	16.4
97.02885	3.4
97.06500	1.0
97.10182	5.0
99.08002	0.5
99.11740	0.4
103.07553	1.0
105.07018	6.7
107.04955	4.6
107.08582	2.4
109.02827	0.4
109.06493	1.3
109.10154	6.7
111.08083	4.5
111.11723	1.0
115.05453	0.8
117.07010	1.3
117.09143	0.5
119.08582	6.5
121.06468	1.8
121.10129	4.3
123.04416	1.1
123.08035	0.9
123.11674	2.7
125.06015	0.5
125.13223	1.0
127.03865	1.4
129.06244	0.5
129.07008	5.5
131.07690	0.5
131.08568	4.9
133.06490	2.4
133.10104	2.4
135.11658	0.8
137.09637	1.0
137.13220	1.0
142.07724	1.4
145.04956	1.6
145.10062	1.2
147.04417	0.7
147.08029	2.3
147.11708	5.1
149.09613	3.7
151.14757	0.5
157.10129	7.3
163.06023	2.9
163.11118	1.2
165.12721	1.7
175.11189	7.3
193.12244	21.7
194.12553	0.6
207.13693	0.4
211.13312	1.5
235.13297	0.9
239.23683	1.8
249.14857	1.4
257.24734	2.1
259.13266	1.4
267.15903	100.0
268.16293	1.0
273.14890	0.7
285.17078	0.9
301.14316	1.5
309.16913	3.1
313.27359	94.8
314.27762	1.9
319.15356	0.8
333.17007	0.6
431.35199	0.7
494.30295	0.5
505.38861	84.9
506.39011	2.2
523.39917	3.5
547.39948	6.7
565.40814	0.9
589.40778	1.1
601.40656	2.7
613.41022	1.7
631.42029	2.7
649.43243	1.2
865.84369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83297	0.4
67.05512	1.9
69.03429	2.6
71.01373	0.6
71.08643	1.8
73.02921	2.8
79.05506	0.6
81.03438	1.8
81.07070	1.4
82.07410	0.4
83.08632	1.7
85.02911	4.0
85.10194	1.4
91.03944	3.0
91.05480	1.1
93.07047	1.0
95.05006	1.2
95.08624	1.8
97.02904	4.7
97.10222	0.7
98.22714	1.5
99.04468	0.9
101.02416	1.4
105.07041	1.1
107.04935	0.6
109.02905	0.8
109.10184	0.8
127.03952	1.3
131.08620	0.6
133.10210	1.4
145.05020	0.7
161.09662	0.7
163.11314	0.5
179.10661	0.5
185.04227	1.1
186.53407	0.4
203.05432	0.7
225.25150	0.5
239.23877	0.5
243.08466	1.1
265.10657	0.7
267.16092	1.5
268.16373	1.3
283.15540	0.7
299.15244	0.7
313.27350	3.4
314.27640	1.3
315.28308	0.5
321.13092	0.6
338.47357	0.5
347.09442	3.5
365.10754	1.4
405.13562	2.6
478.67780	0.5
483.18417	7.8
497.30789	3.9
505.38858	0.9
506.39526	1.4
523.39374	1.1
541.40338	0.9
645.23346	5.6
659.35968	3.8
739.43188	2.1
901.47644	100.0
902.47711	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	902.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	0.4
67.05502	0.3
69.81718	0.6
69.82069	0.4
77.03911	2.5
79.05489	1.4
81.03378	0.3
89.89375	0.2
91.05476	1.8
93.07042	0.4
94.04184	0.4
95.04966	10.8
98.22741	0.5
102.04675	0.4
103.05469	22.2
105.03394	100.0
105.04414	7.0
105.07024	12.8
106.03750	0.6
107.04996	0.3
112.60622	0.2
115.05464	2.8
117.03442	0.3
117.06979	0.4
118.04185	0.6
118.06522	0.4
119.04953	1.8
119.47569	0.3
121.06506	0.7
122.03687	0.6
125.44865	0.3
128.06232	0.8
129.07002	0.5
131.04929	36.3
132.05699	0.9
133.06488	9.8
135.04459	0.6
137.05978	4.7
143.06061	1.1
145.06496	1.1
146.03615	4.1
146.07265	1.5
147.04402	2.7
147.07973	0.3
149.05991	2.5
151.03897	0.5
151.07571	0.6
155.04878	0.4
156.05687	0.7
157.06407	0.3
159.08095	1.1
160.05238	0.6
161.05977	42.0
162.06729	1.4
163.07547	13.6
163.36250	0.2
168.05699	1.2
169.06450	0.6
171.07964	0.6
172.05217	0.3
175.07579	0.5
177.05486	4.3
179.07021	0.9
179.08508	0.4
183.04379	0.8
184.05185	0.8
185.05995	0.4
187.07536	1.3
189.06966	0.3
190.07764	0.3
191.08588	0.6
194.07318	0.4
198.06743	0.7
199.07536	21.2
202.07690	0.4
203.08417	0.6
215.06964	1.3
217.08496	0.3
218.07281	0.7
219.08032	1.3
220.08884	0.3
222.06705	0.3
229.06462	0.3
231.08008	0.9
233.05701	0.3
233.09537	0.6
235.07564	0.6
237.09033	0.5
244.64778	0.3
245.06038	0.3
246.06792	1.0
247.07611	1.3
248.08273	0.7
249.09119	0.7
251.07036	0.5
251.10620	0.3
253.08630	0.4
258.06528	0.3
259.07510	1.4
261.09158	1.6
262.09784	0.7
263.06976	0.6
263.10602	0.3
265.08673	0.6
273.08957	0.4
274.06326	0.6
275.07025	1.0
276.07880	0.4
277.08536	0.6
278.09464	0.3
279.10175	0.7
281.11731	0.7
283.09613	0.8
289.08603	3.5
290.09277	0.9
291.07101	0.3
291.10193	1.6
293.11545	0.6
297.11069	0.9
299.09058	1.6
305.07993	0.7
306.08826	0.5
306.12445	0.4
307.09637	1.9
309.11182	2.7
310.12018	0.6
321.11166	7.4
322.11957	3.0
323.12695	1.1
337.10699	2.0
339.12332	1.3
344.10400	0.5
359.12845	2.7
408.13596	0.3
411.12021	0.5
413.13748	0.9
415.15472	0.5
419.14197	0.9
429.13712	0.4
431.15015	0.3
443.14893	8.5
444.15616	1.4
445.16156	0.4
451.10474	0.3
451.15488	4.3
461.16040	0.4
481.16345	3.0
483.17990	4.7
501.18777	0.4
573.18939	1.9
605.21869	4.1
727.24927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.7
67.05524	3.8
68.29194	1.4
69.07084	2.6
72.04520	21.3
74.06077	2.0
81.03419	2.0
81.07078	2.9
88.07619	2.0
91.05462	10.5
92.12376	1.8
93.07040	2.8
95.04977	3.9
105.07028	3.7
106.04171	3.2
109.10143	2.1
121.06502	29.3
121.60439	1.7
123.04404	1.3
123.08080	13.4
125.06015	3.1
131.04893	2.5
135.04449	2.3
135.08070	4.2
137.06039	3.0
138.06731	2.3
139.07561	8.2
149.05994	4.9
149.07076	2.5
150.06802	8.9
151.07545	100.0
158.07353	2.2
161.05998	1.8
165.09117	14.8
167.07045	2.9
177.05501	1.9
179.08434	1.8
181.04926	2.4
183.08023	3.6
191.07101	3.4
197.09613	2.3
208.09074	1.8
209.08092	8.4
209.09715	4.1
211.07582	3.4
215.10574	4.0
223.11244	1.7
224.08356	2.5
225.09138	8.0
226.09915	6.1
227.10780	5.0
228.07845	5.0
237.09184	3.3
238.09996	4.1
239.10631	4.4
241.08597	3.9
241.12238	9.7
242.09377	4.0
242.13069	4.4
242.24812	5.3
243.10178	41.0
253.08609	44.8
253.12340	2.9
254.09335	3.1
255.10181	13.4
257.11746	2.5
263.23730	6.5
267.10181	47.5
269.11731	26.0
270.08932	8.2
270.12515	24.6
271.09900	2.2
271.13358	10.2
280.26343	15.4
285.11227	58.8
286.11978	3.1
287.12689	5.7
298.27383	17.4
299.12796	2.1
301.14362	60.3
302.15115	45.2
303.15872	2.1
316.17719	3.1
316.28458	51.6
317.13779	6.5
511.44489	1.8
555.23712	12.6
587.26361	37.8
690.50281	1.8
694.43134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88596	0.3
79.41678	0.3
91.05480	1.2
91.58659	0.3
101.00921	0.5
103.40348	0.3
105.07072	0.5
115.05412	0.3
117.07046	0.4
119.01928	0.8
119.04967	1.1
121.06474	0.8
133.06480	3.5
137.05995	0.7
142.07806	0.4
143.01965	1.2
143.90158	0.3
157.03484	0.6
157.10121	4.0
161.02943	1.7
175.04588	0.5
175.11183	10.6
175.12645	0.7
176.11551	0.5
185.02936	0.8
187.00909	1.3
197.09334	1.7
203.05432	0.4
216.49718	0.3
227.05328	0.9
229.02022	1.0
233.10201	0.9
245.06480	3.0
247.03082	0.3
257.10214	4.9
269.10202	0.8
271.04156	0.7
271.11884	0.5
275.11252	1.0
289.05356	7.2
299.11368	0.6
329.12506	0.3
330.31662	0.4
343.10349	0.5
349.06284	0.5
359.13770	0.4
362.57690	0.3
373.06372	0.4
377.15717	1.8
417.04871	0.6
419.16821	6.6
463.15753	100.0
464.16037	1.8
477.06769	0.4
495.08710	0.4
507.62497	0.4
555.09570	0.7
756.05060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28129	1.3
79.05437	1.2
337.34457	1.4
354.93597	1.4
418.40756	1.5
685.52148	1.5
762.37134	1.6
883.61963	1.3
903.43463	100.0
904.43604	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	903.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.6
69.03429	1.4
69.07066	0.2
69.52917	0.2
69.53242	0.8
79.05507	0.5
81.07068	0.3
83.01371	0.2
83.04988	0.7
83.07365	0.4
91.05477	0.7
93.07063	0.6
94.06559	0.5
95.04972	0.5
95.08643	0.4
96.08140	0.3
97.06511	0.2
98.06078	0.3
98.23428	0.4
99.74049	0.2
105.07021	0.7
106.06552	0.8
107.08642	0.2
108.08149	0.3
108.96689	0.2
111.08083	0.5
113.06076	0.2
117.06963	0.3
118.06557	0.3
119.07305	0.3
119.08601	0.6
120.08102	2.3
121.06525	0.9
122.09677	0.5
124.11233	0.4
127.10353	0.2
131.08601	0.4
132.08112	0.4
133.05234	0.3
134.06076	0.2
134.09641	0.4
135.08090	0.6
136.11253	0.4
137.09616	0.3
138.12802	0.8
139.03937	0.6
139.07455	0.3
144.08134	0.3
145.10220	0.2
146.09688	0.3
147.06876	0.3
147.08063	1.1
148.07571	1.5
148.11281	0.3
149.05991	0.3
149.09662	0.3
154.12239	0.3
158.09700	0.5
159.08104	0.3
160.11195	0.4
162.09140	2.0
162.12778	5.4
163.07570	0.5
164.14317	1.4
166.72348	0.2
167.03473	0.3
173.09641	0.2
174.12769	0.3
175.07530	0.3
175.09959	0.3
176.10663	0.5
176.14388	0.7
177.05518	0.2
177.12758	0.4
179.07057	0.5
186.12801	0.7
188.10699	0.6
189.09213	0.3
189.11305	0.3
190.12248	1.1
190.15851	0.3
193.08560	0.3
194.11626	0.3
202.12320	0.4
203.09438	0.6
203.14352	0.6
204.10223	1.1
204.13838	17.6
204.17476	0.9
205.14162	0.3
205.15915	0.8
207.06535	0.5
208.13455	0.3
214.15921	0.6
218.11771	1.9
218.15433	0.6
231.13840	0.5
232.16968	6.8
232.19339	0.4
233.15421	0.6
239.09154	1.6
242.15419	0.8
250.18016	2.2
258.15018	0.3
260.16470	20.0
261.16748	0.3
265.07065	4.8
265.10733	0.4
278.17505	10.0
283.08237	0.3
296.06708	0.2
335.11176	1.4
339.13217	0.2
388.21191	0.5
418.22324	0.6
498.24997	0.7
516.25928	100.0
517.26227	2.8
598.46973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.0
68.05021	0.8
69.03437	1.3
69.07053	1.1
70.02954	1.1
70.06583	0.5
71.04976	0.4
71.08607	0.4
71.43398	0.5
79.05492	3.7
80.05020	0.5
81.03414	2.2
81.07060	3.5
82.06564	1.1
83.01339	1.1
83.04989	2.2
83.08612	0.9
84.04508	2.9
85.02891	0.6
85.06573	0.3
86.09719	0.6
86.31475	0.3
90.79539	0.4
91.05475	2.4
93.07053	2.9
94.06557	0.6
95.04969	1.6
95.07351	0.4
95.08595	2.3
96.08144	1.0
97.02910	0.5
97.06519	0.9
98.06042	0.4
99.04460	0.8
103.08960	0.4
105.07027	1.7
106.06578	0.5
107.04964	2.1
107.08599	2.9
108.08122	1.3
109.06500	2.5
109.10143	0.7
109.59641	0.4
110.06023	0.5
110.09682	1.1
111.04451	0.9
111.08106	0.5
112.11255	1.3
114.09133	0.4
116.10730	0.7
117.07014	1.1
119.08587	1.3
120.08112	1.0
121.06509	2.1
121.10157	0.8
122.09689	0.8
123.04429	0.4
123.08082	0.5
124.11208	1.0
125.05991	0.6
126.09162	0.8
127.03945	0.7
128.06238	0.4
128.10739	0.7
131.08575	0.8
133.06505	0.4
133.10149	0.5
134.09644	1.0
135.08047	3.8
135.11676	0.7
136.07588	0.4
136.11186	0.8
137.05954	0.6
137.09627	1.0
138.09087	0.7
138.12755	1.6
139.03914	0.7
140.10684	5.2
142.12221	0.6
143.08525	0.4
145.10130	1.0
146.09683	0.5
147.04422	0.7
147.08040	0.6
148.07585	0.9
149.05981	1.2
149.09605	0.6
149.13251	1.3
151.03926	0.6
151.07527	0.6
152.10739	1.2
153.09082	0.5
154.08650	1.2
154.12280	1.5
155.03375	0.5
159.08080	0.7
161.05927	0.4
162.09082	0.8
162.12776	1.4
163.03976	0.5
163.07559	1.2
163.11215	0.8
164.14362	0.4
165.05466	0.5
166.12315	1.5
167.03395	1.3
167.07095	0.4
173.09641	0.4
175.07664	0.4
176.14284	1.7
177.09119	0.5
177.12738	0.5
179.07027	1.0
181.05023	0.5
181.08588	0.8
182.15425	0.5
185.09639	0.4
186.12845	1.2
190.12274	0.9
191.14342	0.6
193.08466	0.8
193.12202	0.5
194.11865	0.5
204.10591	0.3
204.13844	5.7
204.17398	2.1
207.06567	0.8
208.13361	0.5
208.17093	0.6
214.15912	0.6
215.10754	0.5
216.17526	0.5
218.11815	0.6
221.08167	0.6
222.14964	0.8
222.18433	0.5
227.12801	0.5
232.16959	2.8
234.18546	0.6
235.09511	0.5
237.07669	0.5
239.09154	3.1
242.15472	0.4
250.18008	9.5
251.09248	0.6
260.16467	3.2
265.07056	14.2
267.15909	1.0
268.16385	0.4
278.17490	12.2
283.08163	0.8
292.04395	0.4
374.23495	0.7
388.21100	4.4
404.20703	0.4
470.25235	1.2
475.26981	0.9
476.27209	1.3
480.24088	0.4
498.25070	4.1
516.25909	100.0
517.26288	1.6
903.46991	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	903.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.4
69.03421	1.5
69.07069	0.4
70.06602	1.0
71.37722	0.4
77.05671	0.3
81.07052	0.6
83.04990	0.5
83.07338	0.6
84.08116	0.5
86.04100	0.4
86.09672	0.5
91.05478	0.9
91.74197	0.4
93.07066	0.5
94.06554	0.5
95.04996	0.5
96.08170	0.8
98.23512	0.8
105.07055	0.9
106.06562	1.1
111.08061	1.0
119.08527	0.7
120.08093	2.7
121.06508	1.5
122.09682	0.6
123.08052	0.6
124.11194	0.6
131.07349	0.4
133.10100	0.5
134.09665	0.5
135.08023	0.8
136.11197	0.5
137.09612	0.6
138.12776	0.9
138.41341	0.4
139.56010	0.4
145.54280	0.4
146.06001	1.0
146.09657	0.4
147.08076	1.1
148.07578	1.7
149.06099	0.8
149.09691	0.7
150.09047	0.4
154.12372	0.9
160.11258	0.5
162.09106	3.3
162.12781	6.7
163.07605	0.4
164.14391	0.9
175.07613	0.4
176.10748	0.5
176.14391	1.4
186.12842	0.9
187.07553	0.4
188.10764	0.8
190.12314	1.4
190.15887	0.4
203.07269	0.4
203.14371	0.5
204.10336	0.9
204.13834	19.8
205.12271	0.5
214.15912	0.5
218.11780	1.4
218.15381	1.0
221.07874	0.4
231.13884	0.5
232.16956	6.6
239.09177	1.4
242.15395	0.7
250.18019	2.0
258.14728	0.4
260.16464	18.8
265.07050	6.8
278.17487	11.0
283.07938	0.4
331.95209	0.4
335.11377	1.5
388.20868	0.4
433.09583	0.5
486.17331	1.4
498.24744	0.8
506.80438	0.4
516.25928	100.0
517.26221	2.0
528.40399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.7
69.03415	0.6
71.21635	0.4
73.02933	0.7
74.96136	0.4
75.19812	0.4
79.05512	0.6
81.03423	0.4
81.07062	0.9
81.43926	0.5
83.30049	0.5
85.02890	1.1
87.65900	0.5
91.05515	0.5
93.07011	0.5
95.08650	0.6
97.02898	0.7
112.07423	0.5
131.53311	0.4
168.35046	0.5
244.62215	0.5
283.15524	1.2
347.10336	0.6
384.76004	0.5
497.31345	0.8
628.51788	0.5
646.94849	0.5
647.24048	0.9
885.46716	1.3
903.47418	100.0
904.47534	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	903.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.1
67.18490	0.4
69.03436	2.6
69.07072	0.7
69.24045	2.4
71.01349	0.5
71.04988	0.5
71.08645	1.4
73.02923	3.1
73.71183	0.4
79.05509	0.9
81.03419	2.2
81.07066	1.4
83.04990	0.6
83.08646	0.6
85.02892	4.6
85.10178	0.6
91.03934	2.9
91.05501	1.1
93.07047	0.8
95.04968	0.5
95.08631	1.5
97.02895	4.7
99.04451	0.9
101.02410	1.6
103.44414	0.4
107.08605	0.8
109.02928	0.8
109.10222	1.2
121.10202	0.5
127.03913	2.1
130.06477	0.4
145.10118	0.9
153.12753	0.5
163.11273	1.2
185.04243	0.5
203.05322	1.1
209.11790	0.8
227.13112	0.6
243.08517	1.9
267.12064	0.9
283.15408	0.6
313.27585	1.6
347.09375	2.4
365.10583	1.1
402.97818	0.5
405.13495	4.1
441.17325	3.7
467.19214	0.9
485.19827	4.0
497.30902	4.8
603.22510	5.1
647.25372	3.7
659.36115	5.4
697.41528	1.9
741.43848	0.9
859.47113	1.7
885.47931	0.8
903.48938	100.0
904.49280	3.9
923.28564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.2
65.93884	0.3
67.05505	37.3
67.08275	0.3
68.05845	0.3
69.03438	3.5
69.07067	9.7
69.62962	1.1
71.04992	3.6
73.02922	2.7
77.03918	0.7
78.16987	0.3
79.05495	30.2
81.03036	0.6
81.03418	34.7
81.07057	37.9
83.04975	8.0
83.08620	14.7
85.02905	20.6
85.06538	1.9
87.04485	0.7
91.03955	5.1
91.05482	26.5
91.83938	0.3
93.07046	30.2
95.04971	17.6
95.08605	24.1
96.04452	0.3
97.02895	5.5
97.06533	3.2
97.07102	0.3
97.10166	3.4
99.04458	0.9
99.08111	1.3
103.03968	0.4
105.04505	1.2
105.07030	19.3
107.04964	3.8
107.08595	15.0
107.09348	0.4
109.02936	0.3
109.06520	3.6
109.10161	10.1
109.10887	0.6
111.04436	1.3
111.08084	6.4
113.06033	1.4
115.03934	0.5
115.05457	0.9
117.07029	3.6
118.06605	0.3
119.08581	17.0
121.06496	0.8
121.10144	14.1
123.04482	0.5
123.08077	2.5
123.11705	3.3
125.05994	0.4
125.09656	1.3
127.03945	1.9
127.07532	0.5
128.06201	0.5
129.05545	0.4
129.07013	5.6
131.08566	11.0
133.06532	1.5
133.10130	10.1
134.05876	0.3
135.08031	0.5
135.11696	6.7
137.09627	1.3
137.13295	1.1
139.11176	0.4
141.07010	0.3
142.07787	1.8
143.08586	1.4
145.04987	2.2
145.10124	4.5
147.08046	1.8
147.11685	11.1
149.09625	3.3
149.13251	3.4
151.11238	0.5
155.08611	0.5
157.10133	8.5
159.11710	3.4
161.13245	2.4
163.06023	2.3
163.11221	1.1
163.14812	1.6
165.12778	2.3
169.10226	0.7
171.11673	0.7
173.13263	2.2
175.11194	7.9
175.14835	0.9
177.16451	0.4
183.11778	0.3
185.13400	0.5
187.14857	1.2
189.11304	0.7
191.14268	0.3
193.12250	23.3
195.11699	0.3
201.16400	0.7
211.13287	31.8
227.12801	1.0
229.14297	0.7
237.18483	0.2
243.21066	2.3
249.14847	0.6
259.20535	0.4
261.22131	8.1
267.15909	8.8
269.17459	0.4
273.18573	0.3
279.23068	0.4
285.16968	41.0
286.17310	0.5
291.19540	0.5
301.24985	0.5
303.23279	0.3
305.76733	0.3
317.24734	1.6
333.24512	0.5
335.25793	62.7
336.26147	0.9
415.05762	0.3
435.32346	1.6
437.29291	0.4
453.33536	1.9
471.34738	0.9
509.36258	0.6
527.37354	12.6
528.37561	0.4
545.38367	100.0
546.38892	2.3
555.08423	0.3
563.39423	0.6
689.43091	0.5
904.48083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.9
67.05505	36.5
67.49130	0.4
69.03432	4.4
69.07071	9.4
69.83112	1.4
71.04993	4.0
73.02917	3.2
77.03902	0.9
79.05494	30.7
81.03418	40.4
81.07058	39.8
82.63000	0.4
83.04985	11.6
83.08132	0.5
83.08623	17.9
85.02905	24.3
85.06517	1.7
91.03961	6.4
91.05481	27.6
93.07043	29.9
95.04970	20.2
95.08607	26.9
96.04472	0.8
97.02898	7.8
97.06529	3.6
97.10180	4.4
99.04431	0.9
99.08080	1.4
105.04476	1.3
105.07034	19.9
106.15188	0.4
107.04963	4.8
107.08594	14.2
109.02856	0.6
109.06522	3.8
109.10156	10.5
111.04441	1.5
111.08090	7.5
113.05994	1.6
115.03873	0.4
115.05460	0.9
117.07016	3.6
119.04932	0.5
119.07740	0.8
119.08582	16.9
121.06467	1.0
121.09272	0.7
121.10148	14.4
123.08091	2.2
123.11706	4.0
125.09616	1.4
127.03932	2.3
128.06229	0.7
129.07021	7.0
131.08569	11.8
132.23109	0.4
133.06491	2.2
133.10133	11.6
135.08032	0.5
135.11690	6.1
137.09578	2.0
137.13271	0.9
142.07791	2.2
143.08598	0.9
145.04939	2.5
145.10123	4.9
147.08022	2.7
147.11681	11.3
149.09624	4.8
149.13287	3.0
151.11198	0.8
153.12740	0.5
155.08496	0.5
157.10138	8.7
159.11682	3.4
161.13255	2.3
162.04509	0.4
163.06047	3.2
163.11168	1.7
163.14891	2.1
165.12747	1.8
171.11687	0.7
173.13266	2.5
175.11191	9.2
175.14807	0.9
177.12706	0.6
181.12173	0.4
185.13356	0.6
187.14812	0.6
189.11191	0.8
191.10648	0.6
193.12250	31.0
197.13173	0.5
198.75729	0.4
201.16457	0.7
211.13293	53.9
212.13490	0.4
215.18001	0.5
227.12700	1.8
229.14380	0.9
241.19246	0.5
243.21045	2.2
249.14940	0.6
261.22134	7.9
267.15930	14.0
269.17398	0.4
279.23151	0.4
283.15408	0.9
285.16962	68.9
286.17349	0.8
301.25211	1.1
302.34302	0.4
315.35376	0.4
317.24652	2.7
327.23709	0.5
335.25806	62.0
336.26154	0.7
392.93814	0.4
417.31476	0.5
435.32614	2.6
453.33664	2.4
473.33469	0.6
496.08606	0.5
505.02402	0.5
509.36163	0.6
527.37347	14.0
528.38074	0.5
545.38385	100.0
546.39001	2.3
561.05829	0.4
563.39465	1.4
574.58337	0.4
606.70093	0.4
689.42200	0.6
833.89746	0.5
866.99457	0.5
883.34332	0.5
904.49438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.0
67.05507	100.0
69.03439	22.2
69.07070	42.3
71.04993	17.8
73.02911	8.9
79.05498	64.1
81.03419	29.8
81.07059	67.0
83.04985	20.0
83.08626	17.9
85.02905	19.4
85.06535	6.6
87.04469	4.6
91.03934	4.9
91.05478	50.1
93.07048	44.2
95.04977	20.2
95.08608	26.8
97.02905	13.1
97.06535	80.2
97.10175	11.1
99.04482	3.7
99.08075	5.0
103.03943	2.2
105.04507	4.6
105.07031	29.4
107.04972	13.2
107.08588	30.9
109.02869	3.0
109.06545	12.7
109.10163	50.5
111.04443	4.6
111.08066	10.7
113.05998	3.1
115.05418	2.6
115.07584	26.1
117.07011	19.8
119.04929	2.7
119.05976	2.1
119.08584	24.8
121.06522	8.0
121.10136	13.3
121.30274	2.5
123.04366	2.6
123.08047	6.6
123.11658	2.8
124.08585	2.7
125.06059	3.1
125.09604	13.6
127.03917	5.9
127.07573	2.6
128.06221	3.0
129.07014	8.6
131.08562	23.0
133.06548	4.2
133.10115	17.2
135.08046	10.1
135.11673	10.8
137.09642	5.7
137.16138	2.1
139.07521	2.4
141.07008	2.5
143.08592	7.2
145.06517	4.1
145.10115	9.9
147.08067	8.6
147.11688	9.4
149.09627	6.6
149.13235	7.7
151.11182	3.3
155.08577	3.4
155.10640	4.0
157.08466	2.3
157.10115	8.3
159.11694	10.9
161.09612	6.6
163.11188	8.0
165.12796	3.3
169.10088	2.9
171.11731	2.9
172.93256	2.1
173.04462	9.5
173.09566	3.9
173.11746	16.4
173.13170	4.9
175.11211	4.1
177.12758	6.6
183.11690	3.0
185.09520	2.2
185.13368	2.7
189.12851	3.0
193.12238	6.6
195.13733	4.6
197.13338	2.9
199.13225	4.3
199.14880	3.0
209.11710	3.5
211.13162	3.5
217.15936	6.8
220.46033	2.8
221.15343	2.9
227.12781	6.4
229.14337	36.0
233.15463	4.9
237.16562	2.9
245.19070	4.5
253.14258	5.9
255.17725	3.6
267.15942	5.6
269.17450	15.4
273.18515	28.5
285.16739	3.2
291.19489	17.8
301.16605	7.9
307.19101	5.2
335.25732	3.7
347.22174	7.0
365.23199	9.2
383.24249	4.0
399.23846	16.5
411.27472	2.7
423.27408	12.0
477.28595	2.9
501.31799	4.3
519.33032	10.7
537.33911	2.5
545.37885	8.4
593.36505	10.2
643.41614	2.5
689.42322	5.9
707.43109	6.7
904.49359	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5081
Annotation	C21217
Peak:m/z	Relative Intensity
67.05524	1.2
68.96321	0.2
69.03433	3.0
69.07081	0.8
69.27763	0.4
69.28165	0.6
69.56945	0.2
71.01357	0.5
71.05001	0.4
71.08640	0.6
73.02922	2.9
79.05492	1.3
81.03416	2.1
81.07050	1.9
83.04980	0.3
83.08646	0.9
85.02911	5.6
85.06542	0.2
85.10185	0.4
87.04490	0.2
91.03966	2.9
91.05491	1.0
93.07052	1.1
95.04985	0.5
95.08610	1.5
95.09023	0.1
97.02896	4.2
97.03475	0.3
97.06543	0.4
97.10181	0.4
99.04438	1.1
101.02379	1.9
101.84560	0.2
103.03921	0.3
105.07025	0.9
107.05004	0.3
109.02922	0.6
109.10191	0.8
111.04420	0.3
115.03985	0.4
119.08605	0.5
121.06519	0.3
121.10108	1.2
123.11791	0.4
127.03917	1.6
127.04715	0.2
129.05487	0.2
129.07057	0.4
131.08614	0.6
133.10083	0.4
139.11235	0.3
145.05020	0.5
147.11723	0.2
149.09630	1.0
157.10165	0.5
167.10861	0.2
175.11278	0.6
185.04268	0.6
193.12199	0.9
198.23314	0.2
203.05385	0.6
239.23659	0.4
241.06790	0.2
243.08369	1.8
259.07922	0.2
267.16010	0.5
269.13644	0.7
299.04852	0.2
301.09088	0.2
313.27484	0.6
325.16278	0.2
335.25848	0.2
336.25967	0.2
346.87192	0.2
347.09470	3.1
363.09290	0.5
365.10596	0.9
386.09766	0.2
405.13641	4.9
405.18726	0.3
430.29602	0.2
443.18887	4.2
469.20337	1.4
487.21521	3.0
497.30862	4.3
537.38519	0.2
546.38934	0.4
563.38312	0.2
581.40906	0.3
605.24060	4.7
631.25507	1.7
649.26849	5.8
659.36102	6.2
699.43030	1.4
725.44519	0.9
731.38245	0.3
743.45740	1.9
859.48230	0.3
861.48096	1.3
887.49573	1.0
905.50732	100.0
906.51050	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	906.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.4
65.58300	0.2
69.03422	1.1
70.06591	1.6
77.03939	0.2
81.03416	4.0
85.02916	1.0
87.32138	0.2
89.03923	0.3
91.05479	11.6
97.02912	0.3
98.06039	0.7
99.04440	0.4
103.05457	0.5
107.04942	0.3
109.02878	1.3
110.74068	0.2
118.04124	0.3
119.04942	20.5
120.05328	0.2
126.05516	0.7
127.03904	0.4
129.03378	0.3
130.08646	0.6
131.04926	0.3
132.02103	0.7
133.02853	0.2
135.04419	0.2
136.05205	0.2
136.11201	0.2
137.05988	1.8
145.02826	0.3
146.03549	0.2
147.04405	19.6
149.02361	0.5
151.07547	0.3
157.03966	2.3
162.02986	0.2
163.03903	0.2
163.07523	0.2
163.30614	0.2
164.04752	0.7
164.14398	0.2
175.03903	37.2
176.04239	0.5
177.05463	0.2
179.06999	1.5
187.07626	0.3
192.04166	0.8
195.11356	0.3
198.52365	0.2
199.01999	0.2
207.06519	100.0
208.06854	0.9
225.07555	0.5
227.13869	1.0
291.10330	0.2
323.12778	0.4
324.19199	0.5
341.13898	0.5
351.10770	4.5
369.11777	9.3
390.22336	0.2
418.22195	0.8
488.20609	0.3
518.29645	0.7
712.39606	0.6
906.45251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31568	0.6
67.05502	1.4
69.07066	1.1
77.03916	1.5
77.76794	0.6
79.05489	2.2
81.07056	2.3
91.05477	3.8
93.07025	1.0
95.04956	6.3
95.08602	0.7
102.04665	1.2
103.05466	67.8
104.05790	0.7
105.03392	20.1
105.04465	3.3
105.07026	10.9
106.07443	0.6
115.05451	1.9
119.04930	2.2
121.06505	1.5
131.04927	100.0
132.05275	1.0
133.06482	9.6
134.98175	3.7
136.06584	0.6
137.05986	1.9
143.06013	1.5
146.03549	0.8
146.07263	0.8
147.04440	3.3
149.05997	1.2
159.04207	1.4
161.04704	1.1
161.05984	17.6
162.06671	1.3
163.07533	19.9
166.70961	0.5
175.03687	6.0
175.07486	0.8
177.05510	2.1
185.05794	0.8
187.07552	1.0
199.07527	3.3
215.07028	2.7
253.08749	0.9
285.11212	1.2
291.10083	0.8
307.09644	1.5
309.11160	1.3
321.11136	1.2
337.27399	1.1
338.27582	0.7
339.12311	1.0
457.23318	1.3
458.23428	1.1
471.24939	4.6
472.25244	4.8
475.13290	1.9
501.15121	1.0
523.38678	0.6
621.20807	2.2
623.18927	9.5
753.96002	0.6
785.25616	58.4
786.25250	2.4
907.28796	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	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.5
67.05491	0.4
68.99805	0.3
69.03433	2.2
70.17113	0.7
79.05497	0.9
81.03427	3.3
81.07045	0.5
82.06580	0.7
85.02905	1.8
85.69030	0.3
87.00827	1.7
89.03921	0.9
91.05466	0.7
93.07038	0.9
94.06564	1.8
95.04984	0.4
95.07339	0.7
96.08140	2.7
97.02899	3.5
97.06528	0.5
99.04471	0.7
103.05471	0.4
105.01871	1.2
105.07020	0.3
105.34161	0.3
106.06564	0.4
107.07349	0.8
108.04438	0.5
108.08130	3.5
109.02882	5.1
109.10133	0.4
110.06053	0.4
110.09682	4.2
114.05309	0.3
115.03948	0.3
116.04961	2.5
118.06537	0.3
120.04468	0.6
120.08119	3.4
122.06033	8.6
122.09671	0.7
124.07596	3.9
127.03914	3.8
129.07013	0.4
130.06519	0.4
132.04469	0.3
132.08014	0.4
134.06017	0.8
135.06825	0.6
136.07584	11.4
137.08331	0.6
138.09148	6.8
144.04453	5.7
144.07997	0.4
145.05023	0.9
146.06009	2.9
148.07561	3.0
150.05495	1.7
150.09134	3.4
152.07048	1.3
153.06992	0.5
154.08646	0.3
155.07242	0.3
155.08534	0.6
157.08842	0.3
158.06029	0.6
158.09613	0.4
159.02840	0.4
160.03922	1.6
160.07565	0.9
161.04631	0.3
161.07121	0.6
162.05490	3.3
164.07056	0.6
166.08641	22.5
167.07201	0.4
168.08162	0.3
170.09624	2.1
172.03937	36.9
172.11214	0.9
173.04382	0.4
173.07077	0.4
173.08374	0.4
174.05522	2.1
174.09108	0.5
175.08653	0.9
178.08632	0.6
182.09676	0.4
183.06808	0.4
184.07549	0.4
184.11177	0.5
186.05536	0.6
186.09135	0.7
187.08571	0.3
187.12312	2.9
188.07065	0.3
189.10239	0.4
190.04991	9.0
192.06569	0.7
194.08098	0.6
197.08293	0.5
197.10817	0.5
198.09132	16.5
200.07634	0.3
200.09369	1.2
200.10767	1.2
201.13947	0.4
204.06566	76.6
204.13817	0.8
205.07027	0.7
206.08083	1.0
209.10500	0.3
209.15254	0.4
210.09200	0.4
212.10791	3.5
213.03876	0.4
213.10139	0.4
215.11806	14.3
216.12062	0.3
222.07576	2.0
223.12325	0.4
225.10213	1.0
226.08688	5.1
227.08153	0.7
227.11789	2.4
228.08800	0.4
229.09746	0.9
229.13342	0.8
230.10405	0.4
231.05066	0.9
231.11377	0.7
236.09360	0.3
237.10143	0.3
239.11809	0.7
240.10463	2.5
241.09732	1.4
241.13434	1.5
242.10353	1.3
243.11292	90.0
244.11595	1.0
249.10155	0.5
250.10883	0.5
251.11803	1.2
253.09889	0.5
253.13367	0.7
255.11302	9.7
256.11963	0.6
257.12866	5.9
265.09714	0.8
267.11307	0.8
269.09164	1.1
269.12704	0.4
279.11200	1.9
281.12714	0.6
283.10721	1.3
284.11490	0.5
285.12341	94.9
286.12781	1.4
296.11752	0.3
297.12299	2.5
298.13159	0.6
299.13873	0.6
301.11807	10.0
302.12671	0.3
303.13394	100.0
304.13803	1.6
307.10754	1.7
309.12238	0.5
311.13916	0.7
313.11874	0.5
315.09729	0.6
325.11819	10.1
326.12772	0.3
327.13516	0.6
329.14908	1.2
339.13239	2.1
343.12921	1.4
357.14471	19.9
358.15265	2.2
359.16144	2.1
367.14371	0.3
370.15643	0.3
371.16211	0.4
375.15445	0.9
383.14310	0.3
388.21133	0.9
389.21445	0.6
389.97318	0.4
400.16565	0.4
414.13937	0.5
418.17490	0.9
420.09366	0.5
428.16016	0.9
429.14471	0.6
430.17746	1.1
434.17426	0.5
444.15927	0.5
456.15338	0.5
458.16864	0.5
462.16617	2.2
470.17108	1.4
474.16501	2.9
476.18124	2.5
488.17926	0.9
494.19220	2.7
506.19098	1.0
517.26044	0.7
518.26428	0.8
519.26709	0.8
555.15845	1.2
559.19000	0.4
573.17200	6.2
574.18475	0.4
577.20026	1.2
583.25433	4.3
587.18384	0.8
599.25061	1.8
605.19696	3.9
606.20135	0.4
609.23083	1.4
623.25348	0.5
627.24487	23.2
628.25122	0.7
641.26050	7.7
659.16443	0.5
659.26978	4.8
831.30548	1.0
845.31934	0.5
875.29218	1.0
889.31000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.8
69.03433	3.9
69.07063	1.0
71.01353	0.7
71.05004	0.4
73.02917	3.7
78.35254	0.3
79.05495	2.6
81.03408	2.1
81.07059	3.2
82.03748	0.3
83.05002	0.4
83.08621	0.8
83.13698	0.3
85.02897	5.2
87.04478	0.5
91.03973	2.9
91.05502	1.6
93.07037	3.2
95.04952	0.5
95.08616	2.7
97.02894	5.9
97.06612	0.4
98.22723	1.0
99.04438	0.9
101.02374	1.9
105.07018	1.0
107.08620	1.7
109.02924	0.9
109.06541	0.4
109.10168	1.7
110.10542	0.5
117.07067	0.7
119.08624	1.1
121.10162	1.2
127.03914	1.8
131.08636	0.6
133.10164	0.5
135.11757	1.4
145.05038	0.6
145.10143	1.2
147.11812	0.5
149.13303	0.5
153.27991	0.4
163.11206	1.8
164.92119	0.7
185.04216	0.8
192.78455	0.4
195.59171	0.4
203.05286	0.5
227.12810	1.1
243.08521	1.7
249.10997	7.0
259.08035	0.5
305.13672	0.7
310.83667	0.4
335.26031	0.6
347.09381	1.9
365.10724	1.1
405.13678	5.1
467.18906	4.5
519.29242	6.2
546.38690	0.5
547.39246	0.6
548.39539	0.6
583.36346	0.5
629.23871	2.7
681.34540	7.8
719.35602	0.6
721.38751	0.5
737.36591	1.3
745.40997	1.8
831.13678	0.4
907.46582	100.0
908.46796	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	907.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80962	0.3
65.03934	0.4
67.05510	3.6
68.67841	0.3
69.03434	3.8
69.07064	1.1
69.14173	0.7
69.14599	1.5
71.01369	1.1
71.04998	1.1
71.08649	0.7
73.02917	4.7
79.05499	3.0
81.03423	3.1
81.07063	2.9
83.04996	0.7
83.08189	0.3
83.08634	1.1
85.02907	8.1
85.10218	0.6
86.03262	0.5
87.04455	0.6
88.64559	0.3
91.03962	4.8
91.05468	2.0
93.07040	2.9
95.04987	1.2
95.08604	2.0
97.02895	6.8
97.06543	0.5
98.03223	0.5
99.04449	1.4
101.02388	2.3
105.07056	1.0
107.04993	0.4
107.08622	0.9
109.02900	1.0
109.10184	1.0
110.65384	0.3
112.07626	0.7
112.46018	0.3
113.05997	0.5
115.03938	0.9
115.50760	0.3
117.07069	0.3
119.08617	1.0
121.06572	0.4
121.10171	1.4
123.11739	0.3
127.03907	2.0
131.08565	0.7
133.10129	0.5
135.11729	0.6
145.05005	0.8
145.10179	0.7
149.09648	0.4
163.11232	0.6
170.96896	0.4
185.04213	0.9
203.05341	1.1
243.08493	2.2
269.13718	0.3
291.17429	0.3
335.25967	0.6
347.09531	2.5
363.09100	0.6
365.10675	1.1
405.13666	5.5
406.14145	0.9
407.14124	0.6
443.18875	1.2
444.19360	1.0
445.19360	0.6
467.18875	6.0
470.20923	0.5
487.21600	0.9
488.22018	0.7
489.21912	0.4
497.31067	0.3
498.31116	1.5
499.31247	0.9
519.29108	3.3
547.40533	0.4
548.40381	0.9
596.66437	0.3
606.24701	1.1
607.24939	1.3
629.24323	4.9
632.25671	0.4
633.26984	0.4
649.27295	0.4
650.27063	1.2
651.27423	1.4
659.36261	0.6
660.36359	1.5
661.36639	2.1
681.34393	2.9
701.43396	0.5
737.35828	1.3
745.42346	0.8
863.48590	0.7
889.49792	0.5
906.51123	5.4
907.48151	100.0
908.47046	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	907.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.6
69.03431	3.5
69.07066	0.6
71.01367	0.4
71.04997	0.8
71.08636	0.3
71.47341	0.2
73.02917	4.4
79.05498	2.2
80.05863	0.2
81.03427	2.6
81.07056	3.0
83.01382	0.2
83.04965	0.4
83.08604	0.7
85.02907	6.8
85.03419	0.5
87.04472	0.3
88.38091	0.2
91.03954	4.0
91.05477	1.6
93.07044	2.3
94.07407	0.2
95.04968	0.8
95.08611	2.1
97.02896	6.3
97.06527	0.3
98.03265	0.3
99.04485	1.2
101.02386	2.4
101.49388	0.2
103.03971	0.3
105.07040	0.9
107.08601	1.3
109.02889	0.8
109.06536	0.4
109.10149	1.0
115.03889	0.4
116.83435	0.2
116.84333	0.2
117.06993	0.5
117.09124	0.5
119.08581	1.0
121.10155	0.9
123.08058	0.3
127.03927	2.4
129.05449	0.3
129.06940	0.2
131.08571	0.6
133.10126	0.6
135.11716	0.8
136.53456	0.2
145.04951	0.3
145.10146	0.6
145.98520	0.2
147.11737	0.2
163.11180	0.7
173.09561	0.3
184.07164	0.2
185.04291	0.7
186.41760	0.2
193.12370	0.2
203.05347	0.7
243.08423	1.7
249.11041	0.3
259.07758	0.3
267.15909	0.2
268.16046	0.2
335.25842	0.6
347.09415	2.3
363.08917	0.5
365.10614	0.9
405.13663	4.6
406.14001	0.5
407.14243	0.3
443.19009	0.5
444.19247	0.3
467.18875	3.5
487.21558	0.3
488.21790	0.3
489.22308	0.4
497.31158	0.3
498.31357	0.5
499.31717	0.6
519.29309	4.8
548.40582	0.2
606.24744	0.7
607.24811	0.7
607.88440	0.2
629.24066	2.5
650.27081	0.5
651.27197	0.7
660.36267	0.8
661.36462	0.8
681.34583	4.9
701.43640	0.5
737.35040	0.5
745.40900	1.1
863.49945	0.5
906.51630	2.1
907.47113	100.0
908.46985	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	908.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.2
66.35779	0.4
67.05502	2.3
69.03429	4.3
69.07073	1.0
69.97269	0.4
70.06596	0.6
71.04999	0.6
71.43513	0.6
73.02923	1.4
75.04488	2.5
77.03913	0.9
78.04727	1.5
79.05499	3.6
81.03408	4.3
81.07056	2.7
82.04183	0.5
83.04981	0.6
85.02908	10.9
87.04478	2.4
89.03938	0.9
91.03951	0.6
91.05474	8.8
93.03400	7.9
93.03931	0.6
93.07051	5.4
94.04189	0.8
95.04967	5.7
95.08612	2.0
97.02895	2.9
97.03407	0.4
97.06529	2.4
99.04485	1.1
103.03958	6.4
103.05466	18.1
105.03405	1.4
105.04523	1.4
105.07047	5.8
106.04174	10.9
107.04948	6.3
107.08614	1.3
108.02077	1.0
108.05696	0.5
108.08112	0.5
109.02901	1.6
109.06544	1.9
109.10138	1.1
110.03668	0.8
111.04456	1.7
115.03951	6.6
115.05453	4.5
117.03336	0.6
117.07016	4.0
118.04156	2.8
119.04956	2.3
119.08577	1.0
120.05730	0.7
120.08127	0.5
121.06506	15.0
122.03646	2.6
123.04431	3.4
123.08105	2.1
123.11654	0.9
124.05169	0.9
125.05987	6.8
127.03922	3.6
129.06996	1.1
130.04150	0.7
131.04933	25.7
131.08588	0.7
132.05733	1.1
132.08972	0.4
133.02826	2.2
133.04977	1.3
133.06485	6.1
133.07413	0.7
134.03615	2.6
135.04402	1.6
135.08043	3.0
136.07552	0.5
137.05977	42.8
138.06754	0.6
138.09207	0.7
139.03917	0.6
139.07536	2.2
140.58195	0.5
141.05460	0.7
141.06982	1.1
143.04921	2.0
143.05968	0.5
144.04559	0.5
144.05727	1.2
145.02853	1.1
145.03914	0.6
145.04964	2.2
145.06471	6.1
145.10181	0.7
146.03622	1.0
146.07176	0.6
147.04456	2.4
147.08031	1.5
148.05196	8.1
149.05977	27.8
151.03909	39.5
151.04994	3.2
151.07536	23.5
152.04631	0.7
153.05490	4.3
153.09093	7.6
155.04909	0.7
155.05989	1.0
155.07068	1.2
157.05106	0.6
157.06491	2.2
159.04407	1.2
159.08049	1.4
160.05177	1.5
161.05995	6.4
162.06691	1.1
162.12845	0.8
163.03876	2.5
163.07542	20.8
163.11211	0.8
165.05528	3.3
165.09148	0.8
166.06192	0.8
166.08618	0.7
167.07034	26.6
168.07236	0.5
169.06456	0.9
171.04308	0.8
171.06544	1.2
172.03899	1.7
172.05222	0.7
173.04491	0.8
173.05989	7.2
173.09621	0.5
174.06850	0.6
175.06071	0.6
175.07516	7.9
176.04736	2.1
177.05472	16.7
177.09106	2.8
179.07033	4.1
180.07893	0.6
181.04959	31.9
181.08566	13.6
183.06496	0.5
185.06049	0.7
187.07536	3.2
189.05479	3.2
189.09116	2.0
190.06216	1.5
191.07030	71.8
191.10622	10.4
192.07611	1.0
193.04967	1.2
193.08604	5.5
195.06557	3.1
195.08128	0.7
197.06021	1.3
199.07570	0.8
201.05424	1.4
201.09128	1.3
203.07033	6.0
204.06451	2.5
204.13855	3.0
205.06746	1.3
205.08597	7.5
205.12206	1.7
206.05702	0.6
207.06512	2.1
207.08327	0.6
207.10164	1.8
209.08086	100.0
210.08444	0.5
211.07516	0.6
213.05614	0.5
214.06114	0.5
215.07027	1.4
215.10558	0.9
217.06676	2.1
217.08803	3.2
219.06523	0.6
219.10135	2.2
221.08028	5.7
222.06740	0.7
223.07513	0.6
223.09645	0.7
225.07555	0.6
227.07007	1.3
229.08574	1.5
231.06551	1.1
231.10147	0.5
233.05917	0.8
233.08054	8.0
234.06889	0.6
235.07477	1.0
235.09650	5.1
237.09126	1.6
243.06482	0.5
243.11206	1.5
244.11568	1.2
245.08069	2.0
245.93733	0.5
247.09814	0.6
249.09062	1.0
249.11337	0.6
251.06851	0.5
251.09152	0.7
255.10983	0.4
257.08145	2.6
259.09637	1.8
260.16415	0.5
263.09155	17.1
265.08289	0.9
265.10846	2.4
267.10147	1.9
269.07895	0.7
271.16940	1.1
275.09155	2.0
277.08444	1.1
279.06595	0.5
285.12241	1.5
286.12643	1.1
287.09244	2.1
289.10776	0.7
289.17819	0.9
293.10144	1.2
295.09555	1.5
297.11121	0.9
303.13379	2.2
304.13660	1.7
305.10373	2.2
307.09641	1.5
309.11093	1.3
311.57123	0.5
323.11298	0.8
324.09784	0.6
325.10757	1.7
327.12112	1.5
329.13959	0.8
335.11188	0.5
337.10403	0.8
339.12238	1.5
351.12207	0.8
355.11673	2.9
357.13306	3.2
359.14789	1.0
369.13297	1.9
383.15109	0.6
385.12711	3.7
387.14380	26.1
388.21082	5.0
389.12115	0.6
389.21347	0.9
399.14056	1.6
401.15628	1.0
404.20435	1.0
405.20755	0.6
407.13159	1.7
417.15460	14.5
419.13354	0.9
427.32083	9.8
437.14188	1.1
467.16495	0.5
529.50024	0.5
547.18970	1.2
551.21991	0.7
579.22418	2.8
628.24719	0.8
663.22736	1.2
693.23108	1.5
908.43878	2.4
909.43488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	1.0
67.05510	18.2
69.03423	2.7
69.07071	16.9
69.16293	4.8
71.04993	3.4
71.08640	3.3
73.02913	1.9
79.05492	12.9
81.03422	29.3
81.06574	1.0
81.07056	21.6
83.04981	7.7
83.08624	25.1
85.02904	18.9
85.10191	0.9
86.99034	0.8
91.03967	5.5
91.05481	15.2
91.53888	0.8
93.07050	13.3
95.04977	12.9
95.08601	16.4
97.02895	4.7
97.06546	2.6
97.10162	8.7
98.22749	1.6
99.34528	0.8
105.07028	10.2
107.04948	3.5
107.08613	6.3
109.06534	3.0
109.10165	7.5
111.04465	2.0
111.08082	5.8
111.11729	1.4
113.05987	1.3
117.06969	1.2
119.08594	9.0
121.06535	0.9
121.10146	9.5
123.08070	1.0
123.11698	2.3
125.09643	1.1
127.03915	2.1
129.06999	4.7
131.08574	6.5
133.06512	1.5
133.10167	4.8
135.11711	4.3
137.13286	1.2
139.81339	0.7
141.06921	0.9
142.07761	1.5
145.04971	2.1
147.07977	0.9
147.11703	7.7
149.09645	3.6
149.13293	1.6
149.25417	0.8
157.10139	7.9
163.06064	2.1
165.12769	2.2
175.11208	8.5
193.12257	22.5
211.13306	37.4
247.24442	0.8
265.25290	1.9
267.15970	13.6
285.16974	54.1
293.17484	2.7
313.27390	1.2
339.28955	54.0
531.40466	16.8
549.41528	100.0
550.41663	2.8
645.28320	1.1
737.35211	1.2
738.35370	6.8
908.46503	3.9
909.45947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.8
65.56815	1.1
67.05502	1.2
69.03423	5.3
79.05501	2.3
81.03416	7.3
85.02914	5.7
87.00848	1.9
91.05471	2.7
93.07047	5.9
94.06580	7.4
95.04946	2.8
95.07346	3.2
96.08141	12.5
97.02895	3.3
97.06523	1.7
99.04477	2.0
103.05490	1.5
105.07029	1.9
106.06562	2.8
107.04976	1.3
107.08604	1.5
107.96288	1.1
108.04509	2.0
108.08125	14.4
109.02881	6.5
110.09698	16.4
116.04945	3.6
118.06548	2.2
120.04469	4.1
120.08105	16.4
121.06483	1.6
122.06023	8.8
122.09671	3.9
124.07581	6.7
127.03905	6.7
130.06647	1.2
133.10135	1.3
134.06006	3.1
136.07584	18.1
137.05931	2.1
138.05495	2.9
138.09151	34.0
144.04448	7.2
145.04918	1.5
146.06018	7.7
148.07553	9.2
150.09129	6.4
152.07008	2.8
160.03947	3.5
162.05482	3.4
162.09258	1.5
164.07065	2.1
166.04996	2.9
166.08644	83.5
167.07048	1.4
167.08759	1.0
172.03940	42.3
174.05513	2.4
176.07004	2.0
177.05403	1.3
190.04993	19.1
191.05200	1.5
192.06529	1.9
199.12296	1.3
204.06569	63.3
204.13762	1.9
205.06947	3.6
209.08035	1.4
211.08607	1.9
211.12280	2.9
212.09377	3.0
222.07568	2.7
222.11302	1.3
224.09444	2.3
225.10205	5.7
227.11830	9.6
232.16739	1.2
233.99265	1.1
235.08739	2.5
236.09383	2.3
237.10297	7.4
238.11028	2.4
239.11815	2.7
241.09708	2.7
243.11353	4.8
244.11708	2.5
245.12923	3.3
247.14526	2.0
249.10329	2.5
251.08260	1.5
251.11810	7.9
252.08878	1.6
252.12433	1.5
253.09721	7.6
253.13269	1.6
255.11298	5.3
264.09094	3.4
265.09738	12.3
266.10587	2.9
267.11295	3.7
269.12857	7.5
271.10754	8.3
273.12277	6.2
277.09485	1.8
278.06564	4.7
279.11356	11.8
281.09274	1.6
281.12842	4.1
282.69562	1.3
283.10712	7.4
283.74698	1.5
284.11536	2.2
285.12366	9.0
286.12820	4.4
287.14023	7.5
291.11368	1.6
293.09189	11.6
294.09799	3.8
295.10687	2.1
296.58875	1.3
297.12369	12.2
299.13870	4.7
303.13327	7.7
304.13766	4.3
305.14764	5.2
307.10806	5.9
309.12302	3.9
311.10098	2.2
312.11172	2.3
313.11935	8.6
314.12808	2.7
323.10306	5.6
325.11804	29.9
327.13315	2.9
331.16577	1.7
335.10315	7.9
339.13422	2.9
341.11343	16.0
341.15143	2.2
342.12210	2.6
343.12881	4.5
353.11334	15.3
355.12970	1.7
356.13919	2.8
357.14444	26.2
358.14984	3.5
370.15491	2.9
373.14078	6.9
385.14059	9.9
386.14529	1.8
386.18845	2.1
388.21213	12.8
389.21368	4.8
390.17896	2.5
398.14963	9.6
399.15759	18.1
400.16467	1.3
402.18448	1.5
404.16013	3.8
412.16397	1.7
414.18317	2.0
416.15894	8.6
417.16739	4.0
418.17493	1.8
428.15756	3.6
430.17630	2.5
440.16049	7.0
446.17120	5.1
448.19608	1.3
458.17169	16.7
460.18820	3.2
464.17938	1.4
465.18597	3.1
476.18005	3.0
478.19800	5.9
488.18216	6.3
490.19644	7.1
506.19232	71.5
507.19171	1.4
508.20883	2.2
510.22324	2.8
520.20532	6.7
538.21863	100.0
539.22266	2.2
569.24280	2.2
573.17145	13.4
577.19824	1.5
593.23828	3.6
605.19849	5.6
611.25018	58.9
612.24951	2.0
629.26013	17.9
643.27551	14.6
661.27960	3.2
754.24188	3.2
773.30353	2.0
786.26294	2.6
805.30652	1.3
815.30780	3.3
859.30487	31.2
877.31195	7.4
891.32037	5.1
909.35986	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	909.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.1
67.05862	0.2
69.03430	3.4
69.07065	0.9
69.81245	0.4
70.06603	0.4
71.01347	0.6
71.05007	0.6
73.02917	4.1
74.62137	0.1
75.04495	0.1
79.05493	2.2
81.03426	2.3
81.07056	3.0
81.07494	0.2
83.04977	0.5
83.08640	0.6
85.02908	6.9
86.09763	0.1
87.04496	0.4
91.03956	4.4
91.04494	0.2
91.05478	1.8
93.07038	2.6
95.04973	0.7
95.08609	1.9
95.09153	0.2
97.02896	6.5
97.06528	0.2
97.10201	0.1
99.04453	1.0
103.03958	0.4
105.04559	0.2
105.07030	1.3
107.08596	1.3
109.02888	1.1
109.06512	0.2
109.10139	0.9
109.10796	0.1
110.75218	0.2
111.08112	0.2
114.26003	0.1
115.03935	0.6
117.05518	0.1
117.07045	0.4
119.08599	0.9
121.10146	1.2
122.93015	0.1
123.11769	0.2
127.03920	1.9
127.77842	0.1
129.05528	0.2
129.07002	0.3
131.08569	0.7
133.10152	0.7
135.08092	0.2
135.11739	0.6
145.05014	0.5
145.10123	0.2
147.11694	0.7
149.13344	0.3
157.10178	0.4
159.11705	0.2
161.13364	0.2
162.56744	0.1
162.96634	0.1
175.11259	0.3
184.07430	0.2
185.04300	0.7
193.12183	0.6
203.05275	0.7
211.13451	0.3
213.03775	0.1
241.06798	0.2
241.25081	0.1
243.08423	1.8
245.06439	0.2
251.12646	0.5
259.07977	0.2
307.15347	0.3
319.10141	0.2
335.25815	0.8
347.09494	2.5
363.09131	0.5
365.10620	1.3
405.13657	5.6
405.18613	0.3
413.17923	0.3
469.20444	4.8
519.29315	6.3
520.29907	0.2
585.37628	0.2
631.25739	3.3
681.34595	6.4
721.37842	0.7
737.37598	0.2
739.37775	0.8
747.42523	1.6
909.48096	100.0
910.48529	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	909.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.2
67.05509	2.3
69.03430	2.8
69.07066	0.4
69.16304	0.4
69.16710	0.6
70.06587	0.3
71.01342	0.3
71.05019	0.5
73.02912	2.7
76.66186	0.2
79.05491	1.6
79.59496	0.2
81.03420	2.3
81.07055	2.1
83.04973	0.6
83.08637	0.8
85.02905	5.9
87.04456	0.4
91.03956	2.8
91.05477	1.5
93.07046	2.0
95.04969	1.0
95.08617	1.5
96.64456	0.2
97.02892	5.0
97.03476	0.3
97.06563	0.3
98.22691	0.4
99.04474	0.9
103.03961	0.3
105.07004	1.2
107.05020	0.2
107.08572	1.1
109.02912	0.8
109.06518	0.2
109.10181	0.6
111.08083	0.3
115.03973	0.3
119.08601	1.1
121.10136	0.9
127.03919	1.9
129.07021	0.2
131.08595	0.6
133.10185	0.5
135.11699	0.2
145.05023	0.3
145.10132	0.4
147.11710	0.6
149.09613	0.2
157.10178	0.6
175.11273	0.4
185.04309	0.7
193.12277	1.1
196.34616	0.2
203.05363	0.8
211.13402	0.6
243.08429	1.9
251.12627	0.7
259.07748	0.2
269.30838	0.2
307.15292	0.8
335.25873	0.2
347.09497	2.3
363.08881	0.4
365.10471	1.0
405.13666	5.2
405.18701	0.4
411.26093	0.2
462.80914	0.3
469.20474	7.0
470.02963	0.2
519.29266	4.0
519.36407	0.3
563.77539	0.2
585.38062	0.3
631.25800	5.7
681.34503	3.9
721.37793	0.6
737.36505	0.3
739.37256	1.7
747.43274	1.7
909.48090	100.0
910.48438	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	910.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78397	1.3
67.05505	19.1
69.03422	3.1
69.07069	13.1
69.48547	3.8
69.48948	2.4
71.04985	4.3
71.08631	23.4
73.02922	2.5
79.05490	15.2
81.03414	55.9
81.07059	30.1
81.07477	0.8
83.04984	11.0
83.08617	27.2
85.02903	28.5
85.06547	1.4
85.10178	15.9
91.03966	9.3
91.05474	21.6
93.07038	12.5
95.04964	21.4
95.08601	27.3
97.02898	10.0
97.06554	4.6
97.10181	10.4
99.08109	1.8
103.07561	1.8
105.07018	16.4
107.04987	4.4
107.08593	5.7
109.06513	3.7
109.10146	9.2
111.04442	2.2
111.08086	10.6
111.11742	1.5
113.06005	2.7
116.02477	1.2
116.87546	1.2
119.08571	14.7
121.10140	8.6
123.08054	1.5
123.11727	4.4
125.09653	2.1
127.03915	2.7
129.06996	10.0
131.08597	7.7
133.06488	1.8
133.10147	9.4
135.11781	1.2
137.09671	1.4
145.04958	1.9
145.10153	1.5
147.08057	2.1
147.11703	15.7
149.09641	5.0
157.10139	14.7
163.06030	3.0
163.11182	2.2
165.12740	4.2
175.11209	14.8
193.12236	44.5
195.24229	1.3
204.59848	1.2
211.13289	52.5
254.08531	1.3
267.15912	16.8
285.16956	63.8
285.27808	2.9
341.30478	73.0
383.04477	1.5
533.41974	13.7
551.43030	100.0
552.43115	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	914.568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.7
67.05161	0.6
67.05508	11.1
69.03426	2.0
69.07064	5.9
69.39064	0.4
71.04993	1.1
71.08634	17.0
73.02915	1.6
75.04477	0.4
77.17209	0.3
79.05486	5.8
81.03419	50.1
81.07057	14.2
81.07784	0.4
83.04986	2.4
83.08622	16.2
85.02910	4.9
85.06577	0.6
85.10186	12.0
85.10705	0.7
89.06024	1.1
91.03975	3.2
91.04461	0.5
91.05486	8.7
93.07034	4.0
95.04971	16.1
95.08607	15.0
97.02890	3.8
97.06530	0.9
97.10170	4.6
98.23508	0.7
102.64169	0.3
103.07555	0.7
105.07027	6.2
107.04955	3.3
107.08614	2.3
109.06526	1.8
109.10162	7.8
111.04435	1.2
111.08085	5.1
111.11713	0.7
115.05468	0.8
117.07056	0.7
117.09128	0.4
119.04952	0.7
119.08588	7.1
121.06532	1.4
121.10162	3.8
123.04428	1.7
123.08088	0.7
123.11708	3.0
125.09649	0.8
125.13284	0.4
127.03931	1.3
128.83144	0.3
129.07008	6.0
131.04907	0.3
131.08572	4.5
133.06534	1.8
133.10097	2.7
135.11722	0.8
137.05997	0.6
137.09615	1.2
137.13220	1.2
142.07800	1.1
145.04982	1.5
145.10112	0.7
147.04425	0.8
147.08034	1.7
147.11685	5.0
149.09622	3.1
151.14790	0.6
157.10130	6.1
159.13774	0.3
163.05984	3.5
163.11157	0.9
165.12744	1.4
165.16437	0.5
175.11194	8.3
186.32338	0.3
189.12738	0.6
193.12245	24.5
205.12250	0.6
211.13298	1.6
222.81277	0.4
231.13795	0.4
235.13283	1.2
239.23703	2.4
249.14838	1.3
257.24722	2.8
259.13327	1.8
267.15912	100.0
268.16266	0.8
273.14850	1.2
300.69763	0.4
301.14346	1.8
309.16953	3.0
313.27368	93.4
314.27731	1.4
319.15390	0.9
333.17230	0.5
375.18079	0.6
390.58484	0.5
505.38885	74.9
506.39209	1.2
523.39996	3.9
547.39929	5.8
565.40869	1.4
589.40570	1.6
601.41138	2.4
613.41199	1.9
631.42126	2.1
649.43713	1.9
733.05072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.1
67.05502	14.3
67.05866	0.8
69.03417	2.1
69.07063	8.1
71.01346	0.8
71.04989	1.8
71.08630	22.6
73.02895	2.2
79.05485	8.7
81.03416	65.0
81.07054	18.3
81.07420	0.3
83.04987	3.9
83.08618	19.0
85.02906	5.6
85.06541	1.2
85.10181	11.3
89.06035	2.5
91.03954	3.5
91.05478	13.6
93.07038	6.4
95.04965	20.1
95.08605	17.5
97.02901	4.6
97.06523	1.0
97.10181	5.0
99.08076	0.4
103.07594	0.9
105.07030	8.1
107.04962	4.8
107.08583	2.0
109.02853	0.7
109.06509	2.8
109.10155	7.6
111.04461	1.1
111.08078	4.3
111.11692	0.9
115.03948	0.5
115.05437	1.0
117.06999	1.0
119.04953	0.8
119.08575	8.4
121.06511	1.3
121.10151	4.7
123.04417	1.1
123.08044	1.0
123.11676	3.0
125.09631	1.3
127.03937	1.0
128.06206	0.6
129.07013	6.4
131.08568	5.9
133.06485	2.1
133.10135	3.3
137.09642	0.9
137.13255	1.4
142.07758	1.9
145.04936	1.5
145.10139	1.5
147.04463	1.1
147.08076	2.1
147.11682	5.5
149.09605	3.5
151.14903	0.5
157.10115	7.4
163.06004	3.1
163.11169	1.1
165.12802	1.0
165.16418	0.5
175.11194	7.4
189.05513	0.5
193.12239	21.9
211.13335	1.4
225.14801	0.5
228.80016	0.5
231.13818	0.5
235.13284	1.5
239.23650	1.7
249.14857	1.5
257.24753	2.1
259.13306	2.0
267.15903	100.0
268.16214	0.9
273.14844	0.9
273.96106	0.4
301.14316	1.7
309.16992	2.7
313.27353	95.8
314.27692	1.6
319.15546	0.7
327.28781	0.7
333.16629	0.7
375.17694	0.7
393.19034	0.8
431.34991	0.6
432.63965	0.5
503.07544	0.6
505.38855	81.8
506.39044	2.2
519.40051	0.7
523.39923	3.1
542.81750	0.4
547.39905	5.0
565.40796	1.0
571.39777	0.6
589.41052	0.7
601.41119	2.8
613.40735	1.4
631.41840	2.3
649.43170	0.9
914.50452	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.5
67.05502	59.7
68.54836	0.6
69.03435	5.1
69.06711	1.0
69.07066	14.3
71.01348	2.1
71.04979	2.8
71.08629	28.9
73.02920	4.5
75.04469	0.7
79.05489	18.6
81.03396	5.1
81.07053	32.9
81.60803	0.7
83.01289	0.6
83.04530	0.6
83.04993	3.7
83.08616	21.8
85.02904	27.4
85.06548	2.9
85.10179	16.3
87.04472	5.8
89.06020	2.3
91.03951	7.8
91.05489	6.5
93.07043	6.0
95.04945	2.9
95.08602	29.1
96.04466	0.8
97.02884	9.2
97.06522	2.2
97.10164	26.8
99.04459	1.2
99.08070	0.9
99.11710	0.7
101.02367	0.8
101.06107	0.7
103.03937	2.0
103.07591	1.1
105.04480	0.8
105.07027	1.7
107.04955	2.1
107.08594	11.2
109.02892	0.9
109.06530	1.0
109.10152	44.8
111.04410	1.3
111.08064	2.5
111.11706	1.4
113.76749	0.6
115.03922	1.0
117.07023	1.6
117.09134	0.6
119.08590	3.8
119.09348	0.6
121.10155	3.0
123.08080	0.9
123.11697	4.0
125.09626	18.7
127.03900	2.8
129.05519	0.8
131.08577	1.7
133.10106	1.1
135.11716	3.0
135.39601	0.7
137.09592	2.2
137.13275	1.5
140.11348	0.6
143.10686	3.8
145.04935	2.1
145.10121	2.2
147.08063	0.9
150.97166	0.6
153.12747	1.8
155.10638	2.6
163.06015	2.1
163.11227	3.6
171.75911	0.6
173.09531	1.0
173.11722	8.6
173.15056	0.5
181.12285	1.3
191.10704	2.7
193.12230	0.8
199.13290	13.2
205.99376	0.5
209.11708	3.5
217.14334	1.6
227.12772	11.6
229.14345	55.9
239.23671	4.3
257.24722	1.8
267.15906	3.1
267.69669	0.8
283.15530	3.7
301.16449	33.8
302.17126	0.7
313.27350	100.0
314.27658	1.6
319.17535	2.1
341.26926	2.0
437.36270	7.3
455.37277	18.4
463.21790	0.9
467.37308	29.7
505.38928	0.9
521.38165	2.6
538.14288	0.7
539.39429	19.9
557.40540	6.4
701.44153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.3
67.05505	50.5
69.03426	2.9
69.07071	10.1
69.07442	0.6
69.46449	0.7
70.47894	0.3
71.01368	1.5
71.04989	2.7
71.08633	23.1
73.02919	2.7
75.04462	0.5
79.05038	0.7
79.05494	12.2
81.03419	3.4
81.07059	24.7
83.01337	0.4
83.04984	3.3
83.08120	0.7
83.08623	17.2
85.02905	19.8
85.06551	1.8
85.10184	13.5
87.04471	5.0
89.06024	1.8
91.03951	5.2
91.05484	5.2
93.07037	4.8
95.04964	2.1
95.08606	22.6
96.04499	0.6
97.02899	6.9
97.06541	1.8
97.10167	20.2
99.04444	0.9
99.08099	0.6
99.11744	1.0
101.09665	0.4
103.03949	1.5
103.07589	0.9
104.29832	0.4
105.07035	2.0
105.36929	0.4
107.04958	1.6
107.08591	8.0
109.02870	0.5
109.06532	0.5
109.10158	44.1
110.10504	0.4
111.04449	1.3
111.08090	2.2
111.11730	1.3
113.13304	0.6
115.04005	0.5
117.07022	0.9
117.09164	0.6
119.08591	3.9
121.06497	0.5
121.10149	2.3
123.08092	0.9
123.11712	3.2
125.09634	15.6
125.13214	0.5
127.03916	2.4
129.05525	0.4
131.08598	1.2
133.10112	0.6
135.11682	1.6
137.09598	1.9
137.13248	1.2
139.11168	0.5
141.09044	0.3
143.10684	2.7
145.04961	1.6
145.10139	1.7
147.07988	0.6
149.09630	0.5
151.14807	0.5
153.12767	1.4
155.10654	2.7
159.06454	0.4
163.06015	2.3
163.11192	2.2
169.12288	0.4
173.09550	0.7
173.10239	0.6
173.11749	9.8
181.12199	1.1
191.10722	1.6
193.12291	1.2
199.13290	10.6
209.11682	3.5
217.14265	1.1
227.12770	6.4
229.14346	60.6
230.14780	0.5
239.23663	3.2
257.13800	1.4
257.24777	1.6
265.14322	0.8
267.15817	2.3
283.15387	4.1
297.17117	0.6
301.16449	29.3
313.27362	100.0
314.27762	1.3
319.17459	0.7
341.26956	1.9
383.42883	0.4
437.36319	5.6
455.37296	15.8
463.21564	1.1
467.37366	31.8
468.37579	1.0
505.38480	1.2
521.38123	2.2
539.39404	15.8
557.40625	3.4
611.79272	0.4
701.44440	1.8
810.83588	0.4
916.48590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03852	0.8
67.05372	11.0
67.05779	3.1
68.79577	0.4
69.03297	2.5
69.03703	0.9
69.06934	3.6
69.07347	1.0
69.15250	0.4
69.24738	2.5
71.01240	0.6
71.04864	1.8
71.05286	0.8
71.27283	0.4
73.02824	0.5
79.05349	14.3
79.05864	2.8
81.03273	33.3
81.03804	6.2
81.06911	11.9
81.07445	2.3
83.04838	4.0
83.05379	0.5
83.08471	10.7
83.09016	1.9
85.02756	2.4
85.06406	1.0
87.04334	0.6
91.03838	0.9
91.05325	11.1
91.05956	1.6
93.03304	0.7
93.06887	10.7
93.07524	1.3
95.04812	16.8
95.05480	2.1
95.08448	5.9
97.02739	2.2
97.06369	4.9
97.07049	0.5
97.10009	11.5
97.10707	1.5
99.00701	0.9
99.07951	0.6
103.05354	0.7
105.04362	0.8
105.06865	8.1
105.07632	1.0
105.93266	0.4
107.04787	10.3
107.05573	1.1
107.08424	8.3
109.06353	6.7
109.09992	4.4
111.04272	2.6
111.07915	4.6
111.08730	1.0
113.05871	0.6
115.05292	1.5
115.06040	0.4
116.49070	0.4
117.06851	4.6
119.04795	0.8
119.08412	8.6
119.09317	0.6
121.02692	0.5
121.06335	8.2
121.09969	6.1
123.04247	1.9
123.07895	3.0
123.11592	1.0
125.05858	0.8
125.09450	10.4
127.03755	0.8
128.06079	0.6
129.05365	0.7
129.06992	6.6
131.04745	1.5
131.08383	7.8
131.09448	0.9
133.06465	3.1
133.09952	4.6
135.04333	0.4
135.07863	4.3
135.11491	1.8
137.05882	0.9
137.09450	1.5
139.03770	1.1
139.11034	0.9
141.06808	1.3
142.07645	1.2
143.08366	2.5
144.05539	0.6
145.06490	4.6
145.10114	4.2
147.04239	1.7
147.08040	3.6
147.11681	5.5
149.05858	0.7
149.09613	4.7
153.09109	3.4
153.12534	1.2
155.08382	1.9
157.06316	1.7
157.10114	6.6
159.07858	1.6
159.11522	1.9
161.05800	1.6
161.09453	1.9
163.03796	0.8
163.05930	0.9
163.07277	0.6
163.11168	3.0
165.06769	0.5
165.12607	1.3
167.10510	1.2
169.06305	0.6
169.10014	0.9
171.08026	2.0
171.10077	0.9
171.11516	1.4
173.09618	2.1
173.11726	0.5
173.13060	1.9
175.07420	0.6
175.11179	5.6
177.12712	0.8
179.08409	0.5
181.09943	0.9
183.07881	0.8
183.11554	0.9
185.09526	1.1
185.13087	0.8
187.07378	0.4
187.10965	2.0
187.14674	0.9
189.09137	1.0
189.11020	6.4
189.12660	1.8
191.10495	0.7
191.14154	1.4
193.12244	14.4
195.11530	1.3
196.12425	0.4
197.09390	0.9
197.13051	1.7
197.14792	0.5
199.11023	1.7
199.12979	0.8
201.12599	0.7
203.14221	1.0
204.13644	0.8
205.12239	2.3
205.15756	0.7
207.11464	0.5
207.13576	0.7
209.13084	1.1
211.11070	0.9
211.13066	1.1
213.12596	1.5
215.14288	2.5
217.12021	1.2
217.14024	0.5
219.13763	2.8
223.11165	0.9
223.13113	1.9
225.12616	1.0
227.12479	2.2
227.14502	0.8
231.13644	1.3
233.15372	3.1
235.13129	1.7
237.12515	1.5
239.14195	0.7
241.08411	0.6
241.12042	0.5
241.14180	0.5
245.15291	1.0
249.14844	2.0
255.13803	2.2
257.15265	1.0
259.09476	0.8
259.13208	1.5
267.15909	45.4
268.36789	0.5
269.15207	0.6
271.16974	0.6
273.06122	2.1
273.14774	7.4
275.16425	0.7
283.16800	0.9
287.16327	1.1
289.14499	0.5
293.17450	1.0
302.43045	0.5
309.16800	1.0
310.80051	0.5
321.69357	0.5
333.17065	0.6
339.23260	3.3
349.21686	4.0
357.24203	1.8
367.18021	0.5
367.22644	11.8
385.23712	20.4
386.24252	0.5
388.21039	1.1
403.24750	6.8
405.24152	0.8
441.26392	10.0
442.21896	0.6
447.11395	1.0
448.52393	0.5
459.27402	99.2
460.27679	2.5
461.33115	0.8
477.28476	100.0
478.28845	1.9
491.22818	0.8
491.30017	14.8
501.28503	6.3
509.31177	5.8
513.28308	2.0
514.23724	0.7
517.18695	1.1
519.29999	1.2
525.28589	0.6
531.29388	1.9
543.29706	2.2
555.29590	1.3
566.05780	0.5
567.29407	5.4
573.30609	0.9
585.30756	2.0
603.32056	1.7
621.32312	0.7
669.04333	0.5
691.24023	0.7
754.18829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.6
67.05163	2.4
67.05507	44.0
69.03429	3.5
69.07061	10.6
70.06578	1.9
71.01360	1.4
71.04999	1.9
73.02914	3.9
79.05495	30.2
81.03405	5.6
81.07059	48.3
83.04973	3.2
83.08622	14.4
85.02911	13.4
85.06579	1.8
91.03954	7.3
91.05477	31.1
93.07049	39.7
95.04979	8.4
95.08606	30.5
97.02901	9.5
97.06519	3.2
97.10176	1.5
99.00829	12.3
99.08112	1.3
103.05473	1.6
105.04512	1.7
105.07033	23.1
107.04954	5.7
107.08595	21.2
109.02891	8.8
109.06519	5.1
109.10160	21.4
111.04466	1.5
111.08099	3.9
115.03927	4.2
117.07024	7.0
119.08577	15.7
119.35398	1.1
121.06509	5.4
121.10147	11.8
123.04409	2.2
123.08058	2.0
123.11682	6.7
127.03922	5.3
127.32114	1.0
129.06943	1.4
131.08589	8.9
133.10130	38.3
135.08098	1.5
135.11696	12.4
137.05965	1.7
137.09607	1.7
137.13315	1.2
139.07550	2.7
143.08582	2.8
145.04947	3.1
145.06462	1.9
145.10124	5.1
147.08040	1.2
147.11700	5.1
149.13249	4.7
151.11195	10.4
159.11687	3.4
160.24951	1.2
161.09608	17.7
161.13284	3.5
163.06010	3.0
163.14807	2.6
167.06993	1.6
171.08063	3.1
173.13278	4.8
175.14867	1.9
179.10674	9.6
187.14830	2.4
189.09100	9.2
197.11809	2.4
207.10167	3.2
225.11241	10.2
227.12756	1.2
243.12286	2.1
243.21135	6.6
259.20468	1.7
259.84283	1.4
261.22125	22.0
277.21716	2.0
281.13855	4.4
287.23584	1.6
299.14899	95.8
300.15369	1.9
315.23230	3.7
317.24738	4.3
333.24298	1.7
335.25806	100.0
336.25992	2.2
439.31537	1.4
467.31461	3.8
485.32675	4.5
504.60504	1.2
513.35577	4.8
515.37195	2.8
531.36816	4.2
541.35205	18.9
559.36316	72.9
560.36523	2.3
577.37256	4.2
748.14856	1.2
787.05023	1.2
829.44763	1.9
869.74042	1.1
918.47034	1.2
922.73505	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73655	0.5
69.87324	1.8
77.22758	0.5
84.96037	3.8
91.05484	0.5
98.97582	64.7
102.43430	0.6
110.97601	1.1
112.99109	2.6
116.98624	25.2
119.04942	1.0
121.06490	0.8
128.98604	1.3
129.94098	0.5
131.00162	2.6
133.06491	3.1
134.99670	5.5
140.00150	1.4
140.98618	1.1
149.01202	1.5
157.10097	2.4
158.99684	5.3
173.01216	2.2
175.11186	8.8
177.00731	5.3
181.01732	0.8
191.02229	1.7
201.00714	0.7
207.06543	0.7
208.56793	0.5
219.01746	1.3
231.06862	1.2
233.03348	0.9
244.99710	0.5
249.08028	1.2
251.09502	0.6
259.06448	4.2
261.07919	2.2
263.06241	0.5
273.07977	100.0
274.08401	1.3
277.07425	2.3
285.07947	1.8
287.09476	6.6
291.09030	32.5
301.07541	0.8
305.02756	0.6
305.10547	1.4
314.10693	4.1
315.05380	0.9
315.09030	17.6
333.10110	17.4
345.10126	3.0
347.11755	3.4
359.08188	0.8
375.11218	3.9
393.12180	13.6
435.13272	42.9
436.13724	0.6
453.14359	4.2
463.15842	0.8
467.15573	1.2
479.12677	24.9
495.15369	6.6
509.16797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	1.0
65.67858	0.5
67.05497	1.2
69.03431	4.2
69.07087	0.8
70.94767	0.6
73.02898	1.2
77.79633	0.5
79.05505	1.8
80.05017	0.7
81.03418	2.5
81.07059	0.9
82.06556	0.8
85.02904	6.1
87.00859	0.5
87.04476	2.2
89.03943	0.7
91.05473	1.4
92.05025	0.9
93.05813	1.1
93.07047	1.6
94.06560	4.9
95.05001	1.4
95.07359	1.3
96.08141	3.8
96.27812	0.6
97.02885	5.6
97.06538	1.7
99.04454	0.9
103.05476	1.1
105.07057	0.6
106.06572	1.5
107.07343	1.0
107.08636	0.6
108.04483	1.6
108.08118	9.1
109.02905	1.8
110.06015	0.6
110.09682	5.8
111.04476	0.7
115.03945	4.0
116.04978	1.9
118.06540	1.1
120.04508	1.7
120.08098	5.5
122.06023	7.6
122.09669	2.1
124.07589	4.9
127.03909	4.4
129.05470	0.8
130.06569	0.6
132.04398	0.7
132.08144	0.8
134.06015	2.7
136.07568	12.1
138.09151	9.0
139.76343	0.6
144.04469	3.9
145.04948	0.9
146.06006	7.7
148.07570	4.8
150.09128	4.9
152.07071	1.7
157.05040	0.8
160.03906	3.1
162.05464	2.7
164.07092	0.9
166.08636	20.6
172.03935	19.9
172.07605	1.2
174.05559	1.0
176.07109	3.6
186.05547	0.8
188.07001	0.7
190.04980	19.6
190.06609	1.1
193.42587	0.5
197.10677	1.5
199.08661	0.6
199.12389	1.4
204.06558	35.0
205.06857	0.5
208.09894	0.8
209.10898	0.7
210.07607	0.6
210.09358	1.3
210.11499	0.7
211.08704	2.2
211.12268	1.4
212.09485	1.9
213.10252	1.7
213.14027	0.5
222.07599	3.3
223.12366	1.0
224.09471	2.2
225.10205	8.8
226.11028	1.7
227.11758	12.3
227.13747	0.9
229.13309	0.7
235.08543	0.7
236.09509	1.6
237.10283	2.6
238.11142	1.7
239.11758	4.6
241.09700	0.7
241.13351	1.2
245.12967	1.6
249.10324	2.2
250.11067	1.4
251.08194	0.8
251.11726	3.5
252.08974	0.9
252.12563	0.8
253.09642	5.1
253.13393	1.0
255.11336	2.2
259.08102	0.6
261.10452	0.8
263.08246	2.1
264.08936	4.1
265.09802	2.0
266.10559	0.7
267.11380	2.4
269.09793	0.6
269.12814	12.0
270.09875	0.7
271.10779	9.9
273.12372	2.7
277.09735	2.6
278.10526	0.9
279.11298	5.1
280.12143	0.8
281.09549	0.8
281.12897	2.0
283.10721	5.9
284.11618	3.4
285.12292	5.3
286.13062	1.2
287.13913	8.9
289.13272	0.9
291.11368	0.7
293.09558	0.9
294.10022	0.7
295.10779	1.9
296.11838	0.7
297.12332	8.9
299.14023	4.3
301.13171	0.6
301.93384	0.6
302.12967	0.9
305.09280	1.0
306.10016	0.6
307.10730	3.3
309.12527	1.2
310.14850	0.7
311.10626	0.6
311.14114	1.0
312.14999	2.2
313.13025	2.3
314.13083	2.1
315.13834	1.3
316.11017	1.4
316.14615	1.3
317.15451	1.2
319.10394	0.8
321.08795	0.9
321.12363	1.6
323.10226	7.3
324.15298	0.7
325.11835	15.2
326.13034	1.1
326.16605	1.4
327.13657	2.8
327.17313	1.3
328.10840	2.6
328.14514	3.1
329.11667	1.4
329.15427	1.9
330.12521	0.9
330.16068	2.4
331.13046	0.9
331.16763	1.9
339.13528	2.3
340.14633	0.8
341.11838	1.3
342.12512	6.5
342.16119	1.6
343.13046	6.2
343.16629	0.8
344.14130	1.1
344.17657	0.9
354.16095	1.7
355.13147	1.6
355.17090	1.0
356.13931	5.4
357.14462	19.4
358.15448	5.2
365.11420	1.1
366.16302	0.7
367.13190	0.9
367.39642	0.6
369.11026	0.8
369.15366	0.7
370.15512	5.7
371.16217	2.2
372.17178	1.0
375.15939	1.0
378.18274	1.8
380.13937	1.5
381.14673	0.7
382.11826	3.9
383.12411	2.8
384.13141	4.3
385.14334	2.2
386.14844	1.7
386.19031	3.4
387.16031	0.7
388.16714	1.6
388.21259	0.8
390.18021	3.2
394.15509	1.4
397.14801	1.5
398.15012	21.0
399.15781	29.7
400.16672	3.2
402.18207	1.9
404.16132	6.3
408.49033	0.5
412.16522	2.3
414.18301	5.1
415.16312	0.7
416.16010	15.9
416.21149	1.0
417.16342	1.0
418.17413	0.8
422.16309	1.6
428.16037	6.1
430.17465	4.6
431.18451	0.8
432.19257	0.6
440.16113	10.2
446.16992	6.6
447.17728	0.8
448.11810	0.6
458.17108	28.6
459.17618	1.1
472.18613	0.7
478.19852	1.6
490.19742	11.0
505.22772	0.6
523.24280	0.7
541.24683	0.9
551.23303	1.4
557.21179	1.3
565.24219	1.5
569.23932	2.8
573.20819	1.2
583.18567	4.6
593.23999	7.1
601.20258	18.0
605.23950	0.9
611.24988	100.0
612.25458	2.0
625.25848	0.8
633.22833	3.2
643.27606	20.2
843.34021	2.0
845.32330	1.3
869.32385	0.8
887.33411	47.8
888.33160	2.2
913.71277	0.7
919.35675	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	919.459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	0.9
68.05029	0.3
69.03430	1.7
69.07057	0.6
69.29536	1.0
71.37663	0.2
75.75581	0.2
79.05490	0.6
80.05021	0.5
81.03415	0.3
81.07044	0.6
82.06593	0.4
83.01359	0.7
83.07362	1.3
86.06078	0.2
91.05462	1.1
93.07060	0.8
94.06559	0.3
95.04966	0.7
95.08605	0.4
96.08134	1.0
98.06042	0.2
99.04467	0.5
103.05477	0.3
105.07043	1.3
106.06572	1.0
107.08597	0.4
109.06498	0.3
111.08089	0.8
113.06046	0.4
115.03939	0.6
117.06992	0.2
118.06551	0.3
119.07371	0.5
119.08575	0.7
120.08109	3.5
121.06506	2.0
121.10191	0.4
122.09684	0.7
124.07561	0.2
124.11232	0.5
126.12789	0.8
129.07048	0.4
131.08577	0.5
132.08151	0.4
133.10153	0.3
134.09692	0.7
135.08057	0.9
136.11230	0.8
137.06021	0.3
137.09645	0.6
138.12788	2.0
139.03947	0.5
139.07558	0.5
143.03377	0.4
143.08514	0.3
145.06502	0.3
145.10172	0.4
146.09624	0.5
147.06943	0.4
147.08017	2.1
147.11685	0.3
148.07552	1.2
148.11206	0.6
149.05981	0.6
149.08411	0.3
149.09595	0.4
150.09172	0.3
151.07556	0.2
152.10796	0.4
153.09108	0.5
154.12309	0.8
158.09657	0.5
159.08102	0.6
160.11256	0.8
161.08369	0.3
161.12015	0.3
161.13315	0.3
162.09137	2.2
162.12779	8.3
162.14098	0.5
164.14388	1.7
165.05486	0.7
170.11737	0.3
173.09650	0.5
174.09186	0.4
174.12837	0.3
175.07578	0.5
175.09886	0.3
175.11267	0.3
176.10771	0.7
176.14323	1.9
177.05501	0.9
177.12839	0.3
181.08644	0.5
186.12817	0.5
187.14790	0.4
188.10733	1.0
188.14417	0.3
190.12312	1.0
190.15895	0.3
191.10719	0.3
193.04961	1.3
194.05733	0.4
194.11803	0.6
194.15274	0.3
202.12338	0.8
203.09399	0.5
203.14365	1.0
204.10310	0.9
204.13841	18.8
204.17502	1.2
205.12314	0.4
205.15904	1.3
207.06612	0.3
208.13351	0.5
209.08043	1.3
214.15947	0.7
215.14337	0.7
215.16507	0.3
216.10246	0.8
216.17439	0.3
218.11838	0.9
218.15520	0.4
222.05289	0.4
222.14854	0.3
230.15424	0.8
231.13840	0.7
232.16974	7.3
233.15414	0.7
237.07518	2.0
239.09245	0.3
242.15479	0.8
248.16441	0.5
250.18013	2.5
258.14893	2.6
259.15335	0.3
260.16467	13.9
265.07114	0.7
274.17926	0.3
276.16092	0.3
278.17511	8.3
281.06522	2.1
335.11423	0.4
351.10678	0.6
388.21240	1.6
404.20389	0.3
468.24237	0.5
496.23193	1.2
514.24249	1.0
516.26056	1.9
532.25427	100.0
533.25696	2.3
745.18658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	0.9
68.05029	0.3
69.03430	1.7
69.07057	0.6
69.29536	1.0
71.37663	0.2
75.75581	0.2
79.05490	0.6
80.05021	0.5
81.03415	0.3
81.07044	0.6
82.06593	0.4
83.01359	0.7
83.07362	1.3
86.06078	0.2
91.05462	1.1
93.07060	0.8
94.06559	0.3
95.04966	0.7
95.08605	0.4
96.08134	1.0
98.06042	0.2
99.04467	0.5
103.05477	0.3
105.07043	1.3
106.06572	1.0
107.08597	0.4
109.06498	0.3
111.08089	0.8
113.06046	0.4
115.03939	0.6
117.06992	0.2
118.06551	0.3
119.07371	0.5
119.08575	0.7
120.08109	3.5
121.06506	2.0
121.10191	0.4
122.09684	0.7
124.07561	0.2
124.11232	0.5
126.12789	0.8
129.07048	0.4
131.08577	0.5
132.08151	0.4
133.10153	0.3
134.09692	0.7
135.08057	0.9
136.11230	0.8
137.06021	0.3
137.09645	0.6
138.12788	2.0
139.03947	0.5
139.07558	0.5
143.03377	0.4
143.08514	0.3
145.06502	0.3
145.10172	0.4
146.09624	0.5
147.06943	0.4
147.08017	2.1
147.11685	0.3
148.07552	1.2
148.11206	0.6
149.05981	0.6
149.08411	0.3
149.09595	0.4
150.09172	0.3
151.07556	0.2
152.10796	0.4
153.09108	0.5
154.12309	0.8
158.09657	0.5
159.08102	0.6
160.11256	0.8
161.08369	0.3
161.12015	0.3
161.13315	0.3
162.09137	2.2
162.12779	8.3
162.14098	0.5
164.14388	1.7
165.05486	0.7
170.11737	0.3
173.09650	0.5
174.09186	0.4
174.12837	0.3
175.07578	0.5
175.09886	0.3
175.11267	0.3
176.10771	0.7
176.14323	1.9
177.05501	0.9
177.12839	0.3
181.08644	0.5
186.12817	0.5
187.14790	0.4
188.10733	1.0
188.14417	0.3
190.12312	1.0
190.15895	0.3
191.10719	0.3
193.04961	1.3
194.05733	0.4
194.11803	0.6
194.15274	0.3
202.12338	0.8
203.09399	0.5
203.14365	1.0
204.10310	0.9
204.13841	18.8
204.17502	1.2
205.12314	0.4
205.15904	1.3
207.06612	0.3
208.13351	0.5
209.08043	1.3
214.15947	0.7
215.14337	0.7
215.16507	0.3
216.10246	0.8
216.17439	0.3
218.11838	0.9
218.15520	0.4
222.05289	0.4
222.14854	0.3
230.15424	0.8
231.13840	0.7
232.16974	7.3
233.15414	0.7
237.07518	2.0
239.09245	0.3
242.15479	0.8
248.16441	0.5
250.18013	2.5
258.14893	2.6
259.15335	0.3
260.16467	13.9
265.07114	0.7
274.17926	0.3
276.16092	0.3
278.17511	8.3
281.06522	2.1
335.11423	0.4
351.10678	0.6
388.21240	1.6
404.20389	0.3
468.24237	0.5
496.23193	1.2
514.24249	1.0
516.26056	1.9
532.25427	100.0
533.25696	2.3
745.18658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	0.9
68.05029	0.3
69.03430	1.7
69.07057	0.6
69.29536	1.0
71.37663	0.2
75.75581	0.2
79.05490	0.6
80.05021	0.5
81.03415	0.3
81.07044	0.6
82.06593	0.4
83.01359	0.7
83.07362	1.3
86.06078	0.2
91.05462	1.1
93.07060	0.8
94.06559	0.3
95.04966	0.7
95.08605	0.4
96.08134	1.0
98.06042	0.2
99.04467	0.5
103.05477	0.3
105.07043	1.3
106.06572	1.0
107.08597	0.4
109.06498	0.3
111.08089	0.8
113.06046	0.4
115.03939	0.6
117.06992	0.2
118.06551	0.3
119.07371	0.5
119.08575	0.7
120.08109	3.5
121.06506	2.0
121.10191	0.4
122.09684	0.7
124.07561	0.2
124.11232	0.5
126.12789	0.8
129.07048	0.4
131.08577	0.5
132.08151	0.4
133.10153	0.3
134.09692	0.7
135.08057	0.9
136.11230	0.8
137.06021	0.3
137.09645	0.6
138.12788	2.0
139.03947	0.5
139.07558	0.5
143.03377	0.4
143.08514	0.3
145.06502	0.3
145.10172	0.4
146.09624	0.5
147.06943	0.4
147.08017	2.1
147.11685	0.3
148.07552	1.2
148.11206	0.6
149.05981	0.6
149.08411	0.3
149.09595	0.4
150.09172	0.3
151.07556	0.2
152.10796	0.4
153.09108	0.5
154.12309	0.8
158.09657	0.5
159.08102	0.6
160.11256	0.8
161.08369	0.3
161.12015	0.3
161.13315	0.3
162.09137	2.2
162.12779	8.3
162.14098	0.5
164.14388	1.7
165.05486	0.7
170.11737	0.3
173.09650	0.5
174.09186	0.4
174.12837	0.3
175.07578	0.5
175.09886	0.3
175.11267	0.3
176.10771	0.7
176.14323	1.9
177.05501	0.9
177.12839	0.3
181.08644	0.5
186.12817	0.5
187.14790	0.4
188.10733	1.0
188.14417	0.3
190.12312	1.0
190.15895	0.3
191.10719	0.3
193.04961	1.3
194.05733	0.4
194.11803	0.6
194.15274	0.3
202.12338	0.8
203.09399	0.5
203.14365	1.0
204.10310	0.9
204.13841	18.8
204.17502	1.2
205.12314	0.4
205.15904	1.3
207.06612	0.3
208.13351	0.5
209.08043	1.3
214.15947	0.7
215.14337	0.7
215.16507	0.3
216.10246	0.8
216.17439	0.3
218.11838	0.9
218.15520	0.4
222.05289	0.4
222.14854	0.3
230.15424	0.8
231.13840	0.7
232.16974	7.3
233.15414	0.7
237.07518	2.0
239.09245	0.3
242.15479	0.8
248.16441	0.5
250.18013	2.5
258.14893	2.6
259.15335	0.3
260.16467	13.9
265.07114	0.7
274.17926	0.3
276.16092	0.3
278.17511	8.3
281.06522	2.1
335.11423	0.4
351.10678	0.6
388.21240	1.6
404.20389	0.3
468.24237	0.5
496.23193	1.2
514.24249	1.0
516.26056	1.9
532.25427	100.0
533.25696	2.3
745.18658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.1
67.05811	0.2
67.41729	0.2
69.03429	2.2
69.07069	0.2
69.20212	0.4
69.20597	0.5
71.01353	0.3
71.05009	0.6
71.08646	1.0
71.37794	0.2
73.02921	2.6
79.05494	1.0
81.03418	2.2
81.07055	1.5
83.05000	0.2
83.08632	0.8
85.02906	3.9
85.03401	0.2
85.06546	0.2
85.10212	0.4
87.04479	0.4
91.03956	2.6
91.05492	1.1
93.07062	0.8
95.04982	0.7
95.08607	1.0
97.02895	4.3
97.03486	0.3
97.06541	0.4
99.04473	0.6
101.02384	1.3
103.03970	0.4
105.07069	0.6
107.08634	0.4
109.02907	0.8
109.10181	0.7
111.08080	0.2
113.06094	0.2
115.03934	0.3
119.08631	0.4
121.10168	0.7
122.05347	0.2
123.11740	0.2
127.03903	1.1
129.05565	0.2
129.07021	0.2
131.08615	0.5
131.82910	0.2
133.10159	0.4
142.07782	0.2
145.04990	0.4
147.11754	0.5
149.09677	0.7
157.10172	0.3
175.11269	0.5
183.06548	0.3
185.04225	0.8
193.12352	0.4
203.05437	0.5
224.98935	0.2
225.15044	0.5
233.11517	0.2
239.23810	0.3
243.08453	1.2
259.08075	0.2
267.16071	0.6
283.15173	1.9
313.27502	0.6
313.32617	0.2
332.21927	0.2
339.17792	0.5
347.09427	1.9
363.09076	0.4
365.10315	0.9
405.13663	5.0
405.18680	0.4
408.65118	0.2
421.13757	0.2
441.21429	0.3
469.20245	0.3
497.30829	4.3
501.23059	8.3
595.41498	0.3
603.26123	0.3
631.25800	0.2
659.36090	5.5
663.28412	8.0
757.47021	3.1
919.52295	100.0
920.52686	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	919.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49928	0.2
67.05507	1.0
69.03437	2.5
69.07067	0.3
71.01357	0.4
71.05006	0.6
71.08637	1.0
73.02924	2.7
79.05499	0.8
81.03414	2.5
81.07053	1.3
83.08613	1.0
84.11527	0.2
85.02901	4.1
85.10215	0.6
87.04490	0.5
91.03952	2.8
91.05494	1.1
93.07062	0.5
95.04962	0.5
95.08631	1.1
95.09160	0.2
97.02894	3.7
97.03490	0.3
97.06528	0.2
99.04467	0.7
101.02380	1.4
103.03979	0.3
105.07038	0.7
107.08615	0.5
109.02926	0.8
109.10178	0.6
111.08121	0.3
115.03908	0.3
119.08591	0.5
120.89024	0.2
121.10181	0.8
127.03933	1.3
129.07024	0.3
131.08621	0.7
133.10156	0.5
145.05008	0.4
147.11742	0.6
149.09671	0.8
157.10179	0.6
175.11230	0.3
185.04326	0.6
191.41318	0.2
193.12312	0.8
203.05354	0.6
211.13359	0.3
221.86787	0.2
225.14963	0.5
243.08325	1.2
243.77689	0.2
259.07983	0.3
267.02338	0.2
267.16052	0.7
283.15146	2.6
313.27365	0.9
339.17969	0.7
342.68359	0.2
347.09467	2.4
347.13260	0.2
363.09113	0.4
365.10709	0.9
405.13675	5.1
405.18726	0.3
469.20633	0.2
497.30893	4.3
501.23071	9.3
585.23877	0.2
595.42480	0.3
631.25635	0.4
645.28180	0.3
659.36163	5.6
663.28296	8.5
757.46851	2.9
919.52307	100.0
920.52594	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	920.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.4
67.05505	38.5
69.03413	5.3
69.07071	12.2
69.38808	8.4
71.04977	5.5
73.02901	2.0
75.15436	1.8
79.05497	45.3
81.03419	39.2
81.07059	47.0
83.04978	10.7
83.08617	20.4
85.02908	23.2
85.06526	5.9
87.04458	2.5
90.75097	1.8
91.03963	5.1
91.05481	62.1
93.07045	47.3
95.04964	19.8
95.08604	26.8
97.02884	5.7
97.06525	7.1
97.10165	5.4
98.23383	4.2
99.08073	2.3
103.05419	3.4
105.04509	2.3
105.07034	61.1
107.04978	9.0
107.08600	22.7
109.06520	5.4
109.10142	13.3
111.04482	3.0
111.08079	6.5
113.92368	2.2
115.05463	2.6
117.07036	14.8
119.08592	45.0
121.06516	4.5
121.10152	23.0
123.08070	3.5
125.09631	3.7
127.03902	2.9
129.07013	18.8
131.08559	28.4
133.06462	2.6
133.10136	34.9
135.08072	2.6
135.11710	14.0
137.09637	2.1
143.08542	10.3
145.10136	17.7
147.11690	38.5
149.09645	7.4
149.13211	5.2
151.11188	2.3
155.08530	3.5
157.10141	17.5
159.11702	14.5
161.13242	18.2
163.11201	4.8
163.14951	2.2
169.10133	4.0
171.11682	9.6
173.13268	10.1
175.11142	8.4
175.14871	7.0
185.13295	6.8
187.14774	4.0
193.12216	22.1
199.14803	4.9
211.13284	31.6
215.09541	2.0
227.12852	2.3
229.14409	3.1
231.21005	4.6
241.19530	16.1
257.18909	2.4
259.20581	55.6
267.15912	17.1
277.21756	3.1
283.15341	2.8
285.16983	40.2
297.22156	2.6
299.23639	2.3
315.23227	4.7
333.24234	47.1
349.24005	2.3
358.35107	2.2
433.30923	7.1
451.32230	10.0
469.32690	4.2
507.34457	4.0
515.37238	3.5
525.35675	37.2
543.36810	100.0
561.37659	5.3
651.38184	2.3
669.39954	3.6
688.12170	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	920.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.8
67.05508	41.4
69.03416	4.1
69.07071	16.4
69.77408	5.5
69.77724	1.7
71.04993	4.7
73.02912	4.7
79.05494	46.1
81.03421	48.2
81.07059	48.6
83.04984	13.1
83.08622	16.3
85.02903	23.6
85.06565	3.3
91.03961	5.8
91.05484	55.4
93.07047	44.1
95.04976	22.2
95.08606	21.1
97.02905	7.6
97.06539	6.2
97.10181	5.2
99.04417	1.8
99.08085	2.8
101.37006	1.7
105.06350	3.4
105.07032	52.1
107.04952	6.4
107.08598	22.5
109.06507	4.5
109.10165	9.5
109.10793	1.8
111.04430	3.3
111.08083	6.4
115.05429	1.9
117.07008	13.7
119.08585	46.3
121.02888	3.6
121.06509	3.1
121.10152	20.5
123.08033	3.7
123.11749	3.2
125.09664	3.0
128.06250	2.0
129.07008	16.0
131.08583	24.1
133.06487	4.1
133.10136	35.5
135.08084	2.9
135.11662	11.2
141.06963	2.0
142.07800	5.0
143.08563	7.2
145.10139	15.1
147.08049	4.8
147.11691	32.5
149.09627	5.6
149.13293	9.0
155.08664	2.7
157.10135	16.8
159.11667	13.6
161.13257	15.7
163.06036	3.5
163.11226	3.3
165.12770	2.6
169.10152	3.9
171.11673	10.6
173.13261	7.8
175.11186	9.4
175.14839	7.7
177.12697	2.3
183.11668	3.1
183.40808	2.3
185.13280	8.2
187.14876	2.1
189.11226	2.1
193.12259	31.5
199.14799	5.6
203.14128	2.5
211.13263	40.2
211.15071	3.0
213.16585	2.0
217.19551	2.1
227.12717	4.3
229.14357	3.0
231.21068	3.1
239.18132	2.1
241.19533	17.0
259.20584	47.1
259.23193	3.5
267.15872	19.6
275.19968	2.1
283.15439	4.1
283.20538	3.5
285.16949	49.4
297.22238	2.2
315.23199	4.1
333.24255	40.4
415.30090	2.5
433.31070	7.0
451.32101	8.7
469.32935	5.3
487.34103	2.5
507.34366	3.5
515.36920	4.4
525.35785	40.2
540.60620	2.0
543.36829	100.0
544.36743	3.5
559.36102	2.0
561.37384	7.5
651.38055	3.9
687.39832	3.6
705.41357	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	921.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.5
67.05492	0.9
69.03433	2.6
71.04983	0.6
72.21957	0.3
73.02908	0.4
79.05489	0.8
80.05025	0.6
81.03416	3.8
82.06591	0.5
83.04945	0.3
85.02917	2.7
87.00834	2.4
89.03909	1.0
90.45003	0.3
91.05453	0.5
93.07031	1.1
94.06538	2.4
95.04977	0.7
95.07336	0.6
95.08636	0.4
96.08140	2.0
97.02898	4.6
99.04432	1.5
105.01856	1.4
105.07053	0.3
106.06531	0.6
108.08118	3.6
109.02880	7.6
110.09698	2.4
111.22865	0.3
112.93605	0.3
116.04991	3.5
120.04505	0.4
120.08104	3.8
122.06030	9.4
124.07601	4.6
127.03922	6.1
134.06020	0.5
136.07573	10.6
138.09145	4.1
140.07080	0.4
144.04436	8.8
145.05031	0.8
146.04950	0.4
146.05960	2.2
148.07555	2.8
150.05501	2.6
150.09140	1.6
152.07097	1.8
154.08701	0.4
158.09766	0.3
159.02974	0.5
160.03923	0.7
160.07602	0.5
162.05519	3.3
164.07124	0.5
165.09021	0.4
166.08632	15.8
168.06613	0.8
172.03937	52.2
174.05533	1.6
176.07040	0.4
178.08612	0.8
182.08144	1.3
184.07657	0.4
184.11021	0.4
185.10757	1.3
186.05380	0.5
190.04993	12.3
190.08685	0.4
192.06679	0.7
196.07570	0.3
197.08409	0.4
197.10799	0.7
198.09172	1.6
199.12294	0.6
201.10236	3.0
204.06560	100.0
205.06911	1.0
206.08144	0.4
210.09128	0.4
211.08575	0.6
211.12344	0.5
212.10698	1.4
213.04057	0.6
213.10138	2.5
214.10866	0.8
215.11786	1.4
218.08026	0.6
222.07597	3.7
223.08449	0.5
223.12283	0.5
225.10217	3.1
226.08871	0.4
227.08138	1.8
227.11818	1.0
228.08791	0.5
228.12524	0.8
229.09731	2.5
229.13356	1.0
231.05046	1.0
236.09480	0.6
239.11653	0.7
240.10219	1.0
241.09718	4.6
241.13356	2.8
242.08200	0.6
242.10478	9.1
243.11281	3.6
244.09856	0.5
244.12062	1.5
250.10858	0.6
251.11771	1.3
255.11237	1.7
256.09579	0.3
256.12027	7.2
257.10202	0.6
257.12845	8.4
258.11139	1.2
258.13693	1.5
261.61591	0.4
267.11270	1.2
269.09210	0.7
271.14395	0.5
272.12778	0.7
277.09613	0.5
278.10522	0.4
279.11279	2.6
281.12909	0.6
283.10773	0.7
284.11526	6.2
285.12396	2.7
287.10306	1.6
289.15421	4.0
297.12366	2.9
299.13873	1.0
301.11688	0.6
302.12640	3.4
307.10706	1.7
311.13876	1.3
315.13376	1.3
317.14954	99.3
318.15231	1.9
325.11804	11.3
329.11279	1.9
329.14911	1.7
331.16238	0.4
339.13474	3.1
341.14905	0.9
343.13004	2.8
357.14444	29.6
358.15170	0.4
371.15979	0.6
373.10040	0.4
375.15405	1.6
388.21329	0.6
412.16360	0.6
414.14706	0.4
420.09174	0.7
432.18893	0.6
460.19101	0.5
476.18158	1.6
488.18207	2.9
508.20819	1.7
527.16602	0.4
529.18097	0.6
541.17279	0.4
543.19629	0.5
545.17841	0.4
555.16064	3.7
559.19232	0.6
561.20587	0.4
569.17401	0.8
573.17133	25.5
574.17480	0.8
577.20459	1.7
587.18567	1.3
591.18420	1.6
597.27026	0.9
605.19666	5.8
609.22845	0.9
641.15631	0.4
641.26086	8.8
673.28741	2.4
723.90991	0.4
801.33087	0.7
813.30347	0.6
845.32269	2.3
857.28125	0.6
868.38464	0.4
889.31274	8.3
903.32257	0.5
921.44952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75455	0.4
70.06627	0.5
76.70330	0.3
76.99370	0.4
84.08167	0.5
91.05589	0.3
96.08210	0.5
97.44045	0.4
107.67961	0.4
126.41037	0.4
137.06055	0.5
149.06200	0.4
153.05305	1.2
169.77773	0.4
177.05510	0.5
178.48669	0.4
194.59612	0.4
265.79736	0.4
266.15332	1.1
273.43268	0.4
298.17682	2.2
337.17322	0.4
364.19086	0.6
388.21155	0.9
396.21448	9.9
396.26569	0.6
418.22235	0.5
428.24042	6.2
438.46191	0.4
440.20450	56.1
441.20673	1.0
443.01706	0.5
450.25183	0.8
472.23038	100.0
473.23505	1.7
481.22614	0.5
506.68527	0.4
513.26215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69646	0.4
66.92926	0.4
67.05513	2.9
69.03442	1.0
69.07067	0.6
71.08666	0.5
71.44864	0.5
73.02927	1.4
79.05505	1.5
81.03465	0.7
81.07082	1.4
83.04948	0.4
83.08631	0.6
85.02923	1.7
91.03973	1.5
91.05495	0.9
93.07063	0.7
95.08650	0.7
97.02917	1.9
97.10193	0.4
99.04457	0.7
100.80244	0.4
101.02373	0.6
105.07034	0.5
107.04900	0.4
107.08625	0.5
109.02942	0.5
109.10139	2.1
110.10512	0.5
114.26639	0.4
114.41057	0.4
121.10153	0.6
135.11719	0.6
141.99088	0.4
173.11726	0.8
175.43542	0.4
178.90781	0.4
229.14328	0.7
319.09436	0.5
347.09436	0.5
405.13577	1.1
413.18216	0.8
473.36053	0.5
485.20032	0.6
497.31076	1.5
544.38135	0.5
575.22778	0.6
607.18976	0.7
625.20422	0.6
647.25989	1.1
659.36035	2.5
741.44189	0.5
831.47052	9.6
897.85968	0.5
903.50006	0.6
910.55408	0.5
921.48425	100.0
922.48773	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	921.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	6.0
69.03443	2.8
69.07068	0.7
71.01352	0.5
71.05005	1.0
71.08620	0.8
73.02922	3.1
79.05500	1.0
81.03426	1.5
81.07073	2.4
85.02904	4.2
85.10191	0.5
86.30053	0.4
91.03963	3.0
91.05486	1.5
93.07054	1.3
95.04983	0.8
95.08618	1.3
97.02904	4.0
97.06541	0.5
97.10181	0.7
101.02368	1.4
103.03956	0.7
107.08616	0.9
109.10172	6.6
110.10502	1.0
116.20988	0.4
119.08609	0.6
124.99670	0.5
125.09647	1.2
127.03945	1.9
145.04947	0.5
155.10670	0.7
163.11090	0.4
173.11742	2.4
185.04181	0.8
186.81551	0.5
192.06287	0.4
199.13275	0.6
209.11722	0.5
227.12845	0.5
229.14365	4.1
230.14706	1.2
243.08406	1.3
347.09311	2.2
365.10724	0.7
399.23883	0.9
400.24387	0.6
405.13568	4.2
413.17795	7.2
497.30856	4.4
498.31155	0.5
575.23169	10.9
659.36133	7.3
669.41315	2.9
724.43805	0.6
831.47125	100.0
832.47211	3.3
903.49005	1.4
921.50360	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	921.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05398	3.2
67.05800	0.6
69.03320	1.7
69.06989	0.3
69.27513	0.9
71.04927	0.4
71.08521	0.7
73.02805	2.5
73.03244	0.4
79.05415	0.4
81.03294	1.0
81.06936	1.3
81.07456	0.4
83.04887	0.3
83.08484	0.7
85.02781	4.6
85.03336	0.6
85.10094	0.4
87.04371	0.4
91.03829	2.8
91.04432	0.3
91.05364	0.4
93.06953	0.4
95.08478	1.3
97.02760	3.4
97.10063	0.3
99.04332	0.8
99.04950	0.3
101.02235	1.4
103.03848	0.4
109.02744	0.8
109.10015	3.2
109.10796	0.2
115.03850	0.2
119.08464	0.5
121.10081	0.2
123.11592	0.2
127.03918	1.3
145.04834	0.4
155.10512	0.5
173.11737	1.3
183.06261	0.2
185.04048	0.8
195.09712	0.6
203.05045	0.7
209.11694	0.3
229.14450	1.1
239.23618	0.3
243.08342	1.0
251.12471	0.4
259.07809	0.2
293.30154	0.2
299.14621	0.3
313.27176	0.9
337.27353	0.2
347.09412	2.4
363.09033	0.6
365.10800	0.9
405.13687	4.5
413.17783	8.6
414.18295	0.3
485.19855	0.3
496.66638	0.2
497.30823	5.5
507.36584	0.2
575.23102	10.8
659.36121	6.8
660.36694	0.2
669.41809	4.0
669.53192	0.3
831.47058	100.0
832.47235	3.5
862.99146	0.2
903.49280	0.8
921.49139	19.9
922.48474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.0
67.05505	60.7
69.03428	4.0
69.07069	16.4
69.53968	3.8
71.01349	1.7
71.04990	4.0
73.02526	0.9
73.02913	2.5
77.03915	1.3
79.05495	46.3
81.03419	82.3
81.07056	62.6
83.04978	7.6
83.08117	1.6
83.08616	24.5
85.02910	10.4
85.06538	1.3
91.03951	7.3
91.04468	0.9
91.05479	36.3
93.07043	53.1
95.04970	35.3
95.08607	44.8
95.09221	2.0
97.02897	6.4
97.06529	5.5
97.10168	8.6
98.23406	1.8
99.04450	1.4
99.08089	1.5
103.18335	1.0
105.04513	2.1
105.07030	27.4
107.04960	6.8
107.08596	31.8
109.02937	1.2
109.06523	5.4
109.10155	22.7
111.04410	1.8
111.08083	7.5
115.05463	2.0
117.07005	8.7
119.08584	27.9
121.06515	5.0
121.09277	1.3
121.10150	27.2
121.23700	0.9
123.04435	3.3
123.08082	2.7
123.11707	8.6
125.09646	6.0
127.03925	2.8
129.05475	1.3
129.07018	10.6
131.07646	1.8
131.08565	22.0
133.06473	3.7
133.10133	16.6
135.08031	3.0
135.11691	14.0
137.09612	3.4
137.13223	1.8
139.11238	1.6
142.07765	2.0
143.08574	2.2
145.04932	4.1
145.06500	1.4
145.10124	10.9
147.08058	4.1
147.11674	17.0
149.09662	7.6
149.13252	8.6
151.11098	1.8
151.14755	1.0
155.08582	2.5
157.10118	11.8
159.11674	10.0
161.09688	1.2
161.13266	7.1
163.06020	5.9
163.11188	2.4
163.14827	2.9
165.12723	3.5
169.10153	2.3
171.10306	1.0
171.11678	4.1
173.09682	0.9
173.11852	1.9
173.13274	7.8
175.11166	9.7
175.14777	2.0
177.12787	1.1
183.11691	1.1
185.13309	1.8
187.14836	3.5
189.11185	4.0
189.12756	2.0
193.12244	22.5
195.11710	1.6
197.13203	1.1
199.14798	1.4
201.12434	0.9
201.16397	1.5
211.13188	1.9
219.17508	1.1
221.15343	1.1
222.67896	1.0
225.16513	1.0
227.12737	6.8
233.15399	1.5
235.13295	3.1
241.14372	1.1
243.21077	6.3
249.14810	1.6
259.13254	2.2
259.20599	1.1
261.22122	24.1
267.15912	100.0
279.23172	1.7
285.17035	2.5
301.14304	1.3
301.25247	6.8
309.17087	4.6
309.20163	1.2
315.23303	1.0
317.24774	4.2
333.16986	1.7
333.23920	1.3
335.25790	92.7
336.26080	1.1
359.25726	1.5
363.25235	1.1
401.21066	1.1
417.30960	1.3
421.25833	3.0
435.27383	3.3
435.32553	5.4
449.28934	1.9
453.33640	8.9
471.34979	5.9
475.30209	1.1
489.35751	1.5
490.19846	0.9
509.36032	2.7
527.37360	79.9
528.37561	1.1
545.38367	99.8
546.38580	2.7
563.39520	7.7
569.38153	11.1
587.39227	3.3
611.39429	1.4
623.39099	3.1
635.38971	2.9
653.39978	3.8
671.41144	4.0
689.41803	1.6
783.52948	1.0
922.47333	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	925.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43700	0.3
65.63117	0.3
66.27573	0.3
67.05499	3.8
69.03453	0.8
69.07083	1.1
73.02921	1.2
75.70564	0.4
79.05512	1.2
81.03426	2.6
81.07051	2.9
83.04995	0.5
83.08640	1.0
85.02916	2.0
91.03989	1.1
91.05509	1.3
93.07059	1.4
95.05000	1.4
95.08593	1.9
96.08933	0.4
97.02889	2.0
97.84741	0.4
101.02402	0.5
105.07027	0.7
107.04962	0.7
107.08614	1.2
109.02909	0.4
109.06544	0.4
109.10172	1.1
119.08612	1.2
121.10196	1.1
127.03928	1.0
132.82765	0.4
133.10182	0.5
135.11755	0.4
145.10172	0.5
147.11697	0.7
175.11298	0.4
193.12256	0.5
194.12656	0.3
243.08559	0.5
267.09195	1.0
267.15894	2.8
268.16412	0.9
285.10294	0.7
337.27478	1.7
338.27881	1.3
347.09784	0.6
365.23074	0.9
385.18484	0.5
386.09970	0.4
405.14072	1.3
413.17810	2.7
441.17279	0.4
453.14484	0.4
519.29272	0.7
529.38898	1.1
530.39081	2.4
547.40039	1.3
548.40125	2.0
583.31226	1.1
603.22833	0.5
647.24231	0.8
681.34119	0.9
697.32336	0.8
711.38507	0.4
737.36145	1.0
755.42120	12.4
811.44556	0.4
837.42206	0.4
907.45978	0.9
919.22644	0.4
925.45953	100.0
926.46368	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	926.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	6.6
67.05492	2.4
69.03429	3.9
69.66445	2.1
74.50848	0.6
77.03920	0.8
77.32140	0.7
79.05473	2.2
81.03400	4.0
82.04188	1.1
85.02903	6.6
91.05473	5.4
93.03416	4.2
94.04182	1.3
94.28131	0.7
95.01318	1.2
95.04976	4.1
97.02887	2.1
97.06513	1.2
103.05465	15.7
105.03395	1.4
105.04529	1.7
105.07030	3.7
107.04950	5.5
108.02074	2.0
109.02835	1.0
109.06530	1.2
110.03663	5.2
111.04447	5.9
115.05482	5.4
115.06181	1.1
117.07016	5.3
118.04167	3.5
119.04936	6.5
121.06474	2.1
122.03658	3.9
123.04404	1.9
124.05176	1.2
125.05991	10.5
127.03910	1.9
128.06190	1.1
129.06972	2.7
130.04144	0.9
131.03955	1.5
131.04924	27.1
131.08554	0.9
132.05663	0.8
133.02841	6.0
133.06493	4.9
134.03577	0.8
135.04329	1.3
135.08061	1.7
137.05974	65.2
138.03134	0.7
141.05415	1.1
143.04922	3.1
144.05684	1.7
145.04898	0.9
145.05374	0.7
145.06493	6.5
146.03606	1.1
147.04398	6.2
147.08041	2.4
148.05180	9.9
149.05994	3.6
151.03909	76.6
151.04994	5.3
151.07510	5.1
152.04587	0.8
153.05464	36.3
155.04869	1.3
157.06462	1.4
158.07295	0.7
159.04491	1.0
159.08009	4.6
160.05208	1.9
161.05963	6.5
161.09637	1.1
163.03944	0.7
163.07536	27.0
165.05470	2.9
165.06921	1.3
167.07045	26.2
167.08511	1.2
171.04417	2.3
171.06512	1.2
172.05168	1.1
173.05959	6.7
174.06790	1.4
175.07524	16.7
176.04723	3.2
177.05495	4.8
177.09091	1.3
178.07791	0.9
179.07048	7.9
179.08493	0.9
181.04958	29.5
181.06334	1.0
181.08578	1.1
183.06522	1.4
185.06032	1.4
186.06773	4.6
187.07518	10.8
189.05421	2.0
189.06967	1.5
189.09146	3.1
190.06245	1.6
191.07025	95.5
192.07623	0.9
193.08504	2.5
195.06509	1.4
199.07539	3.1
201.05437	2.0
201.09148	1.4
203.06989	7.2
203.08662	1.4
205.06566	2.3
205.08609	10.7
206.07251	1.0
207.06453	1.6
207.08162	1.5
207.10170	2.0
209.07971	4.1
215.06947	1.6
216.07819	4.8
217.06584	1.2
217.08542	4.3
218.07401	1.8
219.08067	4.9
219.10172	1.8
220.08891	1.8
221.06001	1.5
221.07890	1.5
221.09663	2.2
222.06630	0.7
223.09644	0.8
225.09123	0.8
226.06116	0.8
227.07103	1.2
229.08528	5.1
231.08128	0.8
233.05949	1.4
233.07858	4.6
234.06688	2.2
235.07462	3.5
235.09660	9.2
236.08321	5.0
237.09120	3.0
239.07094	1.0
239.10736	0.9
241.08620	1.0
241.12755	0.7
245.08141	1.4
246.06720	1.2
247.07515	3.7
247.09550	1.2
248.08321	2.6
249.05461	1.7
249.09082	4.4
251.06956	1.5
251.10684	9.3
253.08591	2.0
255.10068	0.9
257.08167	1.1
259.07565	1.1
261.05521	1.0
261.09128	2.6
262.06357	1.0
262.09897	0.8
263.06927	1.8
263.09152	19.3
264.07803	7.3
265.08286	5.4
265.10953	5.3
266.09195	1.1
267.10181	1.9
268.11038	1.3
269.08246	0.8
275.07025	2.3
276.07724	3.9
277.05615	1.3
277.08496	5.8
278.09421	2.6
279.10165	7.1
280.10730	0.9
281.08188	1.5
281.11783	2.5
282.08893	1.0
283.10242	1.0
283.13260	4.5
289.08594	0.9
290.09402	0.7
291.10117	3.3
292.07309	2.5
293.07959	1.7
293.10962	0.8
294.08817	1.9
295.09561	3.6
297.11285	1.7
299.12476	0.8
301.10663	1.2
304.07181	1.0
305.08002	1.8
307.09622	30.7
308.10312	4.7
309.11203	4.6
311.12939	4.3
319.09555	4.5
321.07547	1.2
321.11334	2.3
322.08383	0.7
323.12805	1.3
325.10748	2.8
326.11536	0.9
327.12302	3.8
329.13797	1.6
337.10635	4.8
338.11411	0.9
339.12268	61.9
340.12930	1.5
341.13852	11.2
351.12253	13.7
353.13812	4.9
355.11719	7.5
355.15610	1.0
357.13129	5.6
359.14828	1.4
365.14255	0.9
369.13321	26.9
370.13995	2.0
371.14908	6.2
387.14359	100.0
388.14590	1.2
413.15829	2.0
418.22067	2.6
499.17142	1.0
501.18704	1.1
517.18835	1.5
519.19220	3.3
549.19897	9.7
711.24969	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	926.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	4.4
67.05493	1.7
69.03412	2.1
69.14215	1.0
69.14609	3.0
74.70831	0.4
79.05479	1.5
81.03422	2.9
82.04207	0.9
85.02908	4.9
86.64291	0.5
91.05484	5.1
93.03392	2.2
94.04166	1.9
95.01305	0.8
95.04959	2.8
97.02896	3.4
98.22689	1.0
99.04465	0.5
103.05466	14.6
105.03371	0.8
105.04502	0.6
105.07028	2.8
105.38810	0.5
106.04158	0.6
107.04956	4.9
108.02098	1.0
109.02882	0.6
109.06490	1.2
110.03664	3.9
110.07201	1.0
111.04449	5.8
115.05443	3.9
117.07014	3.4
118.04174	3.2
119.04952	5.6
119.08527	0.8
121.06485	1.9
122.03677	3.2
123.04415	1.7
124.05257	0.8
125.02313	0.5
125.05994	6.8
127.03887	1.7
128.55991	0.5
129.06981	2.9
130.04222	1.0
131.04927	24.2
131.08530	0.5
133.02853	4.6
133.06516	5.0
135.04404	0.7
135.08034	1.8
136.01465	0.6
137.05978	58.7
138.03175	0.7
139.07489	0.6
141.05423	1.6
143.04890	2.5
144.05711	1.6
145.05006	0.8
145.06468	5.6
146.03625	1.1
147.04413	6.9
147.08029	1.5
148.05180	8.0
149.05975	3.1
151.03908	65.1
151.05005	4.5
151.07512	3.2
152.04498	0.8
153.05466	25.8
154.05789	0.7
155.04874	0.7
155.07036	0.9
157.06587	1.4
158.07173	0.5
159.04352	1.0
159.08058	3.8
160.05241	2.8
161.05972	5.9
161.09587	0.9
162.06752	0.7
163.03900	1.3
163.07539	22.8
165.05482	3.4
165.09061	0.9
167.07039	23.9
170.07182	0.6
171.04420	2.4
171.06506	1.0
173.05975	6.5
174.06783	1.0
175.07549	13.7
176.04694	2.0
177.05472	3.7
177.08998	0.9
179.07030	9.1
179.08487	0.9
180.89667	0.6
181.04951	24.8
181.06299	1.1
184.05109	0.6
185.05951	1.0
186.06784	3.6
187.07550	8.9
188.08302	0.8
189.05455	1.8
189.07082	0.8
189.09100	2.5
190.06232	0.9
190.07799	0.9
191.07028	90.5
192.07539	0.9
193.04967	1.0
193.06766	0.7
193.08600	2.3
195.06474	1.2
195.08066	1.1
197.06042	0.7
199.07492	2.0
201.05431	1.1
201.09131	1.3
202.07800	0.6
203.07033	5.2
203.08681	1.0
204.13884	0.6
205.06546	1.5
205.08556	9.3
206.07243	0.7
207.06531	1.4
207.08240	1.1
207.10179	1.3
208.08774	1.0
209.08025	3.3
211.07506	0.8
212.08383	0.7
215.07025	1.6
216.07732	3.2
217.06616	1.0
217.08502	3.9
218.07224	1.3
219.08061	3.8
219.10170	1.7
220.08853	2.0
221.06076	1.2
221.07889	0.8
221.09688	2.0
223.07506	1.0
223.09552	1.0
225.09113	1.0
227.06999	0.8
229.08589	4.1
233.05998	1.2
233.08086	4.5
234.06708	2.1
235.07492	3.5
235.09676	9.1
236.08301	3.5
237.09090	3.1
239.07079	1.0
239.10577	0.7
241.08569	1.0
245.08115	1.2
246.06786	0.7
247.07549	2.5
247.09698	1.0
248.08298	1.7
249.05530	1.0
249.09082	3.7
251.06958	1.4
251.10690	6.2
253.08565	1.8
257.08069	1.1
261.05273	1.1
261.09189	1.6
263.07089	1.2
263.09164	17.3
264.07803	5.1
265.08243	4.1
265.10904	5.0
266.09311	1.1
267.10135	2.1
275.06802	1.3
276.07910	2.6
277.05624	0.8
277.08582	4.3
278.09259	1.6
279.07019	0.9
279.10098	5.4
281.08099	1.8
281.11740	2.0
283.09824	0.9
283.13235	2.4
285.07611	0.7
289.08459	1.0
291.10095	1.8
292.07309	1.8
292.10529	0.7
293.08093	2.0
294.08759	1.0
295.09601	3.7
295.12509	0.6
296.10403	1.0
297.11215	1.3
299.09064	0.7
299.12830	1.1
300.09961	0.8
304.07474	0.6
305.08063	0.7
306.08902	1.2
307.09644	21.9
307.13257	1.1
308.10355	4.1
309.11124	3.9
311.12912	4.6
319.09549	3.1
320.10376	0.8
321.11285	1.3
323.12598	1.8
325.10617	2.4
327.12189	2.9
329.13745	1.7
336.10104	1.1
337.10587	2.7
339.12268	39.4
340.12964	0.9
341.13855	11.3
351.12228	8.5
353.13855	4.4
355.11707	8.0
355.15573	0.6
357.13303	3.5
359.14825	1.1
365.13583	0.7
369.13306	21.3
371.14938	7.1
383.14615	0.6
387.14359	100.0
388.14682	1.3
413.15860	1.8
418.22321	1.5
434.21664	1.0
448.15225	0.6
489.19153	0.7
503.20126	0.7
509.19812	3.5
519.19092	2.7
531.19232	1.0
549.19885	9.0
706.48181	0.6
711.24799	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	928.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05733	0.6
69.03426	32.7
70.06588	1.2
71.01333	0.7
71.04998	3.3
73.02915	6.4
81.03415	28.7
83.01319	0.9
83.04996	1.2
85.02901	97.1
87.04469	21.9
91.03941	4.6
91.05499	1.1
94.04221	1.4
95.05006	0.8
97.02889	53.9
99.04459	6.6
101.02356	1.0
103.03934	2.4
103.05459	0.9
108.04471	1.3
108.12715	0.7
109.02879	24.2
109.03645	1.2
109.06495	1.3
111.63800	0.7
115.03928	78.1
115.05456	4.8
117.07042	2.0
122.03616	3.7
125.05964	1.3
127.03909	70.5
128.06218	1.6
129.06989	4.6
131.04962	4.2
133.03940	1.7
133.04959	31.7
135.04466	0.6
137.05975	86.4
143.04918	10.8
144.05646	0.8
145.04955	61.2
147.04410	0.8
147.30699	0.7
149.05981	1.1
151.03900	4.3
151.04987	1.1
151.07564	1.6
153.05455	2.3
157.04968	2.0
157.06480	4.0
158.07277	0.7
160.05197	12.5
161.04506	0.6
161.05956	2.3
163.06018	9.6
163.07378	1.1
169.04886	1.3
172.05194	1.5
173.05933	0.9
174.06761	2.2
175.07538	100.0
176.07925	1.1
177.05479	1.1
179.05524	1.2
179.06967	1.1
185.05959	0.9
187.06091	1.9
187.07532	38.9
189.09090	10.9
191.07002	1.3
193.08519	0.8
199.07573	1.8
201.09184	1.2
203.08557	1.5
204.03377	0.6
205.07045	1.4
205.08618	20.4
211.07623	1.7
213.93709	0.6
217.06961	1.8
217.08784	4.9
219.08026	2.0
219.10138	1.5
231.07996	2.9
235.09641	49.6
239.06996	1.3
241.07050	13.1
247.07491	1.3
248.08360	2.1
251.10666	1.1
255.06535	1.3
259.08099	29.1
261.08990	0.9
263.10602	3.5
265.08572	0.9
270.08768	2.9
271.09946	4.3
275.07532	1.5
276.07916	1.4
277.09161	49.3
279.10147	2.9
283.09308	0.9
291.10135	7.6
293.08478	1.2
296.10522	1.8
301.09247	1.6
308.10327	1.2
309.11151	0.8
311.12704	3.7
323.12723	9.7
325.14285	2.4
341.13834	38.8
357.13251	3.0
365.13776	0.7
367.10358	1.6
385.11084	3.1
403.12134	1.5
421.13379	2.0
499.14511	1.1
517.15363	2.4
535.16138	2.9
662.22638	0.9
718.02527	0.8
807.00183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.2
69.03401	1.6
71.05026	1.3
79.05490	1.9
80.05022	2.9
81.07057	2.5
91.05479	2.3
93.07030	1.9
95.05034	2.0
95.08593	1.5
97.30379	1.1
99.04460	3.1
103.05505	1.5
105.05772	4.2
105.07052	2.9
106.06579	3.2
111.04530	1.1
113.05985	1.5
117.05780	2.7
117.06997	1.5
119.07356	1.2
119.08574	2.3
120.08119	6.6
121.06567	1.5
127.03957	3.6
130.06598	1.8
132.08098	12.6
133.06529	2.1
133.08878	1.6
134.09673	2.6
135.08051	2.4
137.09647	3.0
143.08617	1.5
144.08122	1.9
145.10229	1.2
146.09688	1.4
148.07550	1.9
149.05988	1.6
150.09154	2.1
158.09679	1.3
160.07585	85.1
160.11240	2.6
162.09122	6.3
162.12746	1.6
163.07562	2.2
165.09132	8.4
173.09711	1.3
174.09203	4.1
176.10748	2.2
178.08714	4.6
180.10254	1.4
181.66869	1.1
186.09131	8.8
188.10765	3.8
193.08614	26.0
194.11806	1.4
203.14449	1.1
204.10136	8.4
204.13863	2.8
204.17545	1.9
207.06618	1.5
210.09206	1.7
210.12854	1.1
212.10783	3.0
217.08626	1.4
224.10640	1.6
232.17107	1.6
238.12352	3.8
240.13860	2.6
249.11281	1.3
250.18155	3.5
253.14970	1.3
260.16562	3.1
266.11865	3.2
272.00433	1.3
276.16272	1.3
278.17508	26.4
284.12869	1.8
308.12985	1.3
323.15347	1.6
324.19806	1.9
336.15833	1.4
350.17584	3.3
368.18674	3.1
370.20404	2.6
378.17072	6.0
388.21451	1.4
396.18082	30.2
414.19110	100.0
415.19458	2.1
516.26031	6.0
521.17719	1.2
529.09375	1.3
648.08295	1.2
929.44110	73.3
930.44489	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	932.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46416	0.7
77.03928	2.5
79.05489	3.0
81.03439	0.6
91.05499	2.9
92.02617	2.0
94.04248	0.7
95.04968	15.8
102.04640	1.2
103.04762	1.3
103.05464	36.8
105.03393	87.4
105.04424	7.6
105.07025	18.7
107.04929	1.4
115.05457	4.0
117.03377	0.7
118.04173	1.3
119.04966	2.3
121.02845	1.1
121.06493	1.1
125.06006	2.0
128.06209	1.1
129.06990	0.8
131.04927	65.7
132.05690	2.4
133.06490	16.3
135.04416	100.0
137.05984	6.0
143.06036	1.5
145.06464	0.7
146.03641	3.8
146.07274	2.9
147.04396	4.8
149.05954	4.1
155.04944	0.8
156.05641	0.9
159.07991	1.6
160.05177	0.9
161.05974	55.1
162.06731	1.2
163.07538	19.8
168.05724	1.6
169.06493	0.8
171.07965	0.9
175.07455	1.3
177.05490	5.8
179.07028	2.0
183.04434	0.6
184.05214	1.7
187.07562	1.3
189.06956	0.7
191.08540	0.9
194.07480	0.8
198.06778	1.6
199.07539	27.5
203.08536	1.6
207.06552	1.0
215.07016	2.7
217.08574	1.0
218.07065	0.7
219.08047	1.7
221.09663	0.6
231.08195	1.2
233.09648	0.9
246.06726	1.0
246.50587	0.6
247.07501	1.7
248.08414	1.0
259.07538	1.5
261.09085	2.2
262.09909	0.8
263.06985	0.6
263.10648	1.4
265.08612	1.3
275.07047	1.5
276.07623	0.7
277.08786	1.1
278.09152	0.8
279.10178	1.0
283.09781	0.7
289.08615	7.5
290.09335	1.2
291.10037	2.5
293.11685	1.0
297.11316	1.3
299.09216	1.2
306.08939	0.7
306.12543	1.0
307.09637	3.6
309.11197	3.0
310.11993	0.7
321.07758	0.9
321.11212	10.2
322.11880	3.7
323.12790	2.0
328.10803	0.6
337.10596	3.0
337.50974	0.6
339.12146	2.4
351.12299	1.1
359.12817	4.1
385.83282	0.6
413.13828	1.1
415.15253	1.1
419.14468	0.7
443.14868	11.4
444.15604	1.7
451.15540	5.8
461.16071	1.1
473.16098	3.2
481.16559	3.6
483.18158	6.4
511.17404	1.4
573.18713	2.1
574.56232	0.8
605.21436	3.8
635.22601	1.2
672.24243	0.6
744.78906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.63
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.2
67.05157	3.9
67.05506	59.5
69.03419	3.0
69.07073	14.7
69.36000	6.1
69.36407	4.3
69.85126	2.2
71.04987	2.3
71.08627	21.5
73.02907	5.9
79.05495	34.4
81.03410	2.9
81.07056	75.7
83.04959	1.9
83.08629	11.6
85.02904	24.1
85.10176	12.6
89.05975	1.8
91.03958	11.3
91.05489	20.8
93.07050	43.9
95.04971	3.1
95.08606	57.7
97.02884	13.6
97.06529	3.5
97.10168	5.0
105.04525	1.9
105.07024	14.0
107.08607	22.5
109.10152	27.6
117.07058	6.6
119.08569	9.8
121.10123	17.6
123.11714	8.2
127.03906	5.8
131.08542	8.5
133.10114	6.0
135.11725	10.6
137.13240	3.2
145.04951	5.3
145.10083	8.8
146.52856	2.0
147.11693	5.2
149.13255	8.6
151.92242	1.8
159.11699	5.8
161.13231	2.3
163.06020	7.1
163.14822	5.2
168.94395	1.9
173.13272	4.8
177.16428	3.4
187.14850	3.7
201.04732	2.2
222.18205	1.9
243.21031	11.1
245.23854	2.1
261.22153	39.1
313.27359	100.0
317.24817	6.1
335.25790	81.5
336.54001	2.0
573.48718	48.5
591.49750	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42720	0.4
73.67274	0.4
73.99533	0.3
78.43023	0.4
82.66281	0.4
105.47873	0.4
225.79716	0.4
267.09274	0.4
279.92136	0.4
285.10059	0.4
317.24329	0.4
571.33032	0.4
598.61816	0.5
647.22681	0.5
693.33545	0.9
831.47229	1.2
885.45074	0.8
935.49768	100.0
936.49384	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	936.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.3
67.05502	72.4
69.03426	15.5
69.07064	36.0
69.19849	10.1
70.41789	1.8
71.04979	8.3
73.02902	4.2
79.05489	81.0
81.03413	100.0
81.07053	82.6
82.03770	3.4
83.04975	27.4
83.08615	45.2
84.14112	1.8
85.02905	46.5
85.06529	5.0
91.03958	6.0
91.05476	78.5
93.07038	76.8
95.04966	51.3
95.08602	37.9
95.15820	1.8
96.05270	2.0
97.02883	17.3
97.06532	20.9
97.10170	19.9
99.04465	4.3
99.08070	3.5
103.05450	3.3
105.04515	2.0
105.07028	64.9
107.04942	17.7
107.08591	49.8
109.02872	3.8
109.06529	12.0
109.10163	14.7
111.04457	6.2
111.08086	15.4
113.06007	3.7
115.05467	4.4
117.07034	17.5
119.08579	46.6
121.06503	8.5
121.10149	26.0
123.08047	6.9
123.11700	6.9
125.09631	19.9
127.03897	6.7
129.06998	19.3
131.08565	38.2
133.06496	6.1
133.10121	39.6
135.08067	6.7
135.11684	13.5
137.09634	3.0
141.07040	2.1
142.07758	4.5
143.08568	6.3
145.04866	3.4
145.10126	22.5
147.07973	3.5
147.11687	28.4
149.09608	25.7
149.13275	9.5
151.11127	4.0
155.08575	2.8
157.10139	23.7
159.11664	15.8
161.09706	2.2
161.13235	5.3
163.11177	8.1
165.12752	5.0
169.10138	2.3
171.11658	3.5
173.04436	3.9
173.13272	8.5
175.11188	22.4
177.12738	2.7
179.14319	4.2
183.11711	4.5
185.13194	2.8
187.11113	3.9
189.11221	6.7
193.12230	58.4
195.13792	2.8
197.13264	4.1
211.13275	88.8
215.54852	1.8
227.12752	32.2
229.14413	6.6
229.19397	3.2
239.17987	3.6
247.20601	2.9
255.15996	5.7
257.18961	12.3
267.15887	44.7
268.16245	3.9
269.17416	21.8
275.20062	51.9
285.16956	90.7
293.21133	5.1
298.60391	1.7
301.14041	2.4
302.84695	2.1
321.24252	2.3
331.22656	4.1
349.23715	57.8
421.25681	3.5
437.25201	5.3
439.26590	10.1
443.27838	4.1
447.27493	12.1
449.30612	2.5
455.26129	6.0
459.27432	3.6
460.27963	2.8
461.28912	33.7
463.30295	3.6
465.28433	13.5
477.28415	2.6
479.29993	78.1
480.29971	2.4
519.33014	2.4
541.35254	41.0
559.36304	98.8
577.37286	16.3
599.30676	2.3
617.89319	2.1
623.34332	6.3
653.81848	2.0
659.71930	2.2
703.40332	3.0
748.43854	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	936.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.9
67.05506	52.3
69.03430	4.3
69.06721	0.8
69.07075	12.3
71.01363	0.9
71.04980	4.2
73.02921	2.6
77.03922	1.2
78.80369	0.7
79.05494	40.6
80.96793	0.7
81.03419	87.1
81.07059	59.3
83.04987	6.3
83.08116	1.2
83.08619	25.2
85.02905	9.4
85.06538	2.4
91.03956	6.0
91.05485	35.6
93.06446	1.7
93.07047	40.6
95.04969	30.0
95.08609	42.2
97.02896	6.6
97.06534	4.9
97.10178	6.5
98.23511	1.5
99.04484	1.1
99.08073	2.4
103.05498	1.2
105.04507	2.4
105.07035	26.3
107.04957	7.5
107.08598	27.0
109.06526	5.3
109.10155	19.7
111.04429	1.8
111.08083	8.7
112.19127	0.7
115.05437	2.4
117.07041	7.9
119.08587	26.2
121.06549	5.0
121.10146	25.1
123.04419	2.2
123.08075	3.9
123.11705	6.7
125.09601	5.3
127.03908	2.0
129.06998	10.8
131.04932	0.7
131.08574	20.3
133.06493	3.2
133.10144	17.9
135.08043	3.3
135.11693	12.6
137.05946	0.7
137.09639	2.4
137.13249	1.5
139.11240	0.8
141.06969	0.9
142.07790	3.0
143.08568	2.0
145.04942	3.0
145.06508	1.4
145.10120	11.4
147.04439	1.7
147.08090	4.1
147.11687	14.9
149.09612	5.7
149.13243	7.6
151.11200	0.7
153.09148	1.0
155.08560	1.7
157.10138	10.8
159.08038	1.0
159.11690	8.5
161.13268	7.4
163.06047	5.0
163.11203	3.8
163.14839	4.5
165.12793	2.6
165.42274	0.7
169.10115	1.7
171.11726	2.8
173.09619	0.7
173.11758	1.2
173.13216	6.6
175.11198	9.6
175.14827	2.8
177.12704	1.6
177.16376	1.6
179.14328	1.0
183.11624	1.8
185.13214	1.8
187.14856	3.6
189.05507	0.9
189.11238	3.5
189.12756	1.1
191.14247	1.0
193.12242	22.1
197.13205	1.3
199.14803	1.1
201.16365	1.7
201.94078	0.8
203.17981	0.7
207.13741	1.0
211.13286	2.0
213.16382	1.0
219.17319	1.1
227.12769	9.9
231.13739	0.7
235.13297	2.5
243.21121	5.7
247.16985	1.3
249.14827	2.2
259.13318	2.9
259.20535	1.0
261.22122	17.7
267.15924	100.0
268.16330	1.4
273.14801	1.6
279.19650	0.8
279.23114	1.6
285.22205	1.4
293.96265	0.8
299.23706	1.3
301.14310	2.1
301.25229	7.8
303.23151	0.7
309.16986	4.9
317.24728	3.7
319.15024	0.7
323.51288	0.9
333.16885	1.0
335.25818	82.1
336.26144	1.6
343.22659	1.0
353.26410	1.0
357.24149	0.8
359.25717	1.8
363.25208	0.9
378.58322	0.8
389.23495	0.8
403.24500	1.3
407.24036	1.2
417.26385	0.9
417.31293	1.1
421.25763	3.1
435.27237	3.9
435.32654	5.6
445.29596	1.2
449.28934	1.3
453.33640	7.7
471.34903	5.1
475.30402	1.3
501.35522	1.1
509.35947	2.5
527.37360	78.6
528.37671	1.3
545.38379	84.5
546.38727	2.5
559.40063	4.3
569.38300	9.6
571.71783	0.7
577.40747	2.4
587.39044	1.9
611.39417	2.2
623.39355	1.9
635.39514	4.0
653.41235	3.3
671.41443	3.0
689.42218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.1
67.05507	58.5
69.03427	2.6
69.07071	11.4
69.64328	1.9
69.64712	1.3
70.06592	1.4
71.01369	1.2
71.04988	3.6
71.08639	1.2
73.02918	2.0
77.03957	1.0
79.05495	42.8
81.03419	77.9
81.07058	59.2
83.04980	5.5
83.08627	22.3
83.10412	0.8
85.02904	9.4
85.06535	2.6
91.03963	6.4
91.05477	30.8
93.07045	49.7
95.04971	27.0
95.08604	42.6
97.02908	6.2
97.06534	4.1
97.10152	6.4
99.08118	1.1
105.04530	2.7
105.07034	25.7
107.04959	7.4
107.08595	29.4
109.06544	4.3
109.10163	18.9
111.04449	2.8
111.08076	6.5
113.09652	1.0
113.48318	0.8
115.05450	1.9
115.83163	0.7
117.07013	8.5
119.04918	1.5
119.08581	24.6
121.06543	4.5
121.10146	24.8
123.04430	2.2
123.08054	2.8
123.11705	7.5
125.09628	4.7
127.03911	1.9
128.06235	1.1
129.06996	10.2
131.08572	21.2
133.06479	3.1
133.10138	14.2
135.08072	2.4
135.11697	16.0
137.09631	2.5
137.13252	2.2
142.07796	2.8
143.08615	2.1
145.04980	2.9
145.06421	1.3
145.10130	12.3
147.04465	1.1
147.08031	3.7
147.11682	14.2
149.09608	4.4
149.13275	7.4
151.11191	1.2
153.12688	0.8
155.08533	2.3
157.10132	10.7
159.11671	6.3
161.09650	1.4
161.13274	5.1
163.06047	5.8
163.11197	2.8
163.14796	4.5
165.12775	1.8
169.10144	1.6
171.10303	0.7
171.11665	2.4
173.09506	1.1
173.11810	1.2
173.13237	6.8
175.11214	8.1
175.14851	2.9
177.12743	1.3
177.16336	2.0
183.11592	1.4
185.13284	2.5
187.14851	4.0
189.11253	3.3
189.12782	1.1
193.12250	18.9
199.14784	0.9
205.12305	1.6
205.15797	1.0
207.13805	1.0
209.13297	0.9
211.13182	1.1
213.16576	0.9
217.12427	0.8
223.13316	1.2
227.12692	6.1
233.15224	0.9
235.13310	3.2
243.21130	5.5
249.14960	2.3
257.19153	0.9
259.13153	2.6
259.20584	1.0
261.22150	22.5
265.14456	1.2
267.15912	93.5
273.14825	2.1
277.21417	0.8
279.23199	2.2
301.14383	2.2
301.25220	6.3
309.17047	4.8
313.27454	0.9
315.19601	0.8
317.24808	3.3
333.24036	1.2
335.25809	100.0
336.26205	1.8
359.25885	1.3
375.18094	0.9
403.24591	0.8
417.26175	1.2
417.31345	1.2
421.25677	2.9
425.35568	0.8
435.27368	3.4
435.32431	4.3
449.29071	1.7
453.33560	8.8
461.28854	1.3
471.34763	4.9
475.30609	1.3
509.36075	2.5
527.37329	78.4
528.37598	2.3
543.78699	0.8
545.38367	91.5
546.38696	2.4
559.39807	3.3
569.38464	11.9
577.40479	1.2
587.39343	2.2
611.39410	2.2
623.39325	3.3
635.39795	4.7
653.40552	4.0
671.41229	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	938.366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.3
67.05504	1.1
69.03431	2.0
70.06593	0.4
71.04984	0.4
73.02905	0.6
75.04481	1.5
78.04705	1.3
79.05501	2.4
81.03428	2.1
81.07044	0.6
82.04198	0.6
85.02909	6.4
87.04473	0.7
89.06058	0.3
91.05472	4.8
93.03407	5.5
93.07047	2.6
94.24084	0.3
95.04981	3.6
96.90755	0.3
97.02876	1.5
97.06529	1.9
99.04465	0.4
103.03965	1.7
103.05466	9.2
105.03378	0.7
105.04511	0.6
105.07034	4.6
106.04176	9.9
107.04965	4.9
109.02876	0.9
109.06499	1.2
110.03644	0.6
111.04419	0.8
115.03947	2.3
115.04667	0.3
115.04795	0.3
115.05448	2.4
116.06288	0.3
117.07022	2.7
118.04162	1.8
119.04944	1.1
119.08578	0.5
120.05756	0.4
121.06507	12.6
122.03644	0.6
123.04425	2.6
123.08056	0.3
123.60372	0.3
124.05215	1.2
125.05991	5.0
127.03920	1.3
128.06200	0.6
129.06998	0.5
130.04155	0.5
131.04935	8.4
131.08553	0.4
132.05728	0.9
133.02850	0.8
133.06488	5.1
134.03639	2.0
135.04405	0.8
135.08035	1.0
137.05965	2.4
138.03119	0.4
138.06726	0.5
138.12773	0.3
139.03899	0.4
139.07555	1.1
143.04926	0.6
144.05733	0.5
145.02831	0.8
145.04955	1.3
145.06468	3.0
146.03572	0.5
147.04417	0.6
147.08046	1.2
148.05186	4.6
149.05984	23.1
151.03899	1.9
151.07585	1.5
152.04655	0.4
153.05484	2.8
153.09106	6.4
155.05997	0.7
155.07111	0.6
157.06514	0.9
159.04399	0.6
159.08063	0.9
160.05133	0.6
161.05989	5.9
163.03905	1.4
163.07545	9.5
165.05492	1.0
165.09122	0.6
166.06265	0.7
167.07040	33.6
171.06523	1.3
172.05167	0.3
173.06000	4.5
174.06758	0.5
175.07509	2.0
176.04713	1.3
177.05470	13.8
177.09131	0.5
178.06146	0.4
179.07030	0.9
179.08533	0.4
181.04962	32.4
181.08562	13.2
184.05211	0.5
185.05968	0.5
187.07510	1.7
189.05444	1.1
189.09070	0.8
190.06242	0.9
191.07033	36.0
192.07710	0.6
193.04846	0.4
193.08595	3.1
195.06496	2.6
199.07564	0.5
201.05508	0.9
202.06194	0.3
203.07033	1.4
205.08647	3.4
207.06462	1.7
207.08232	0.6
207.10170	0.9
209.08089	100.0
210.08566	0.6
211.07663	0.3
213.05327	0.4
217.08720	1.4
219.08218	0.7
219.10175	2.1
221.08043	4.5
225.07536	0.9
227.07080	0.5
229.08546	0.5
233.08064	3.4
234.06752	0.5
235.07501	0.7
235.09599	2.8
245.08086	1.5
249.05814	0.3
249.11284	0.5
251.09137	0.5
259.09891	0.5
263.09146	12.6
265.10736	0.9
267.10196	1.1
271.09592	0.4
277.08771	0.5
279.10178	0.4
287.09039	1.9
295.09372	0.5
297.11188	0.7
305.10367	1.5
307.09567	0.5
323.11206	0.9
325.10617	1.1
327.12271	0.5
329.10098	0.3
329.13831	0.4
331.11588	0.4
335.11279	0.6
337.10663	0.4
339.12466	0.5
353.12302	0.3
355.11624	0.6
357.13422	2.3
367.11557	0.7
369.13217	0.8
371.14496	0.3
385.12723	3.9
387.14532	0.7
388.21143	8.9
389.16315	0.6
389.21402	1.4
399.14322	2.1
401.15799	0.4
417.15457	18.3
419.13364	0.4
437.14288	0.6
467.15625	0.6
581.24054	0.4
597.23163	0.6
609.23236	2.1
693.24170	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	938.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.2
67.05488	0.9
69.03431	1.6
70.33607	0.3
72.63981	0.3
73.02909	0.6
75.04461	1.1
77.03927	0.6
78.04709	1.5
79.05487	2.4
81.03425	1.8
81.07039	0.5
82.04194	0.6
85.02901	5.4
87.04449	1.0
87.90516	0.3
89.03906	0.5
89.06020	0.5
91.05485	5.7
93.03409	5.9
93.07044	2.7
95.01351	0.3
95.04972	3.5
96.08121	0.3
97.02924	1.5
97.06536	1.8
99.04470	0.5
103.03955	1.0
103.05467	9.0
105.03420	0.6
105.04508	0.9
105.07034	4.0
106.04179	9.1
107.04952	4.8
108.04551	0.3
109.02882	1.1
109.06525	0.5
109.10136	0.3
110.03645	0.9
111.04418	0.9
115.03931	2.1
115.05461	2.1
117.03356	0.6
117.06989	1.8
118.04196	1.7
119.04956	0.9
119.08553	0.6
120.05765	0.4
121.06512	13.8
122.03680	0.3
123.04459	2.1
123.08111	0.4
124.05241	0.8
125.05997	5.6
125.18770	0.3
127.03896	1.7
129.05542	0.4
129.07014	0.6
130.04153	0.5
131.04942	8.3
131.08641	0.5
132.05693	0.6
133.02838	0.7
133.04996	0.4
133.06493	4.9
134.03604	1.9
135.04414	0.8
135.08047	0.9
137.05969	2.9
138.06731	0.4
139.03868	0.4
139.07538	1.1
143.04909	0.7
143.05956	0.4
144.05699	0.6
145.02840	1.1
145.04967	1.2
145.06488	3.2
146.03578	0.5
147.04402	0.7
147.08035	0.9
148.05194	4.7
149.05986	24.1
151.03918	1.7
151.07558	1.5
152.04611	0.8
153.05487	3.1
153.09106	6.0
155.06009	0.5
155.07097	0.7
156.05721	0.4
157.06450	0.8
159.04382	0.4
159.08066	1.3
160.05264	0.5
161.05994	5.4
163.03880	1.4
163.07549	8.8
165.05502	0.8
166.06282	0.7
167.07043	32.5
170.87840	0.3
171.06522	1.2
171.07866	0.4
173.06000	4.8
175.06036	0.5
175.07416	1.7
176.04707	1.0
177.05479	14.9
177.09033	0.6
179.07037	0.9
180.07730	0.4
181.04967	32.7
181.08578	14.7
182.05212	0.5
183.06470	0.5
185.06021	0.5
187.07515	2.2
189.05482	1.6
189.09093	0.6
190.06172	0.9
191.07034	38.7
192.07587	0.6
193.08606	4.4
195.06546	2.2
199.07643	0.7
201.05484	0.6
203.06976	1.6
205.08598	2.9
207.06474	2.0
207.10158	1.1
209.08090	100.0
210.08423	0.8
211.09724	0.5
213.05527	0.6
217.08746	1.6
219.06433	0.5
219.10120	2.3
220.07324	0.5
221.06020	0.6
221.08063	4.9
221.96941	0.3
225.07571	0.6
227.07068	0.5
229.04980	0.4
231.06453	0.4
233.08063	3.9
234.06801	0.4
235.07480	0.9
235.09624	4.2
236.08353	0.4
245.08043	1.7
251.09222	0.7
253.08414	0.5
257.08188	0.4
259.09665	1.0
263.09171	11.3
265.08356	0.5
265.10757	0.9
267.10132	2.0
279.09793	0.3
287.09073	1.4
289.10629	0.5
293.07959	0.6
295.09793	0.4
297.11261	0.8
299.09134	0.5
305.10165	1.4
307.09607	0.8
323.11282	0.9
325.10587	1.5
327.12198	0.5
331.11459	0.3
339.12006	0.4
344.12363	0.4
355.11545	0.4
357.13412	2.9
359.14792	0.5
367.11554	0.8
369.13345	0.5
371.14841	0.4
383.14899	0.5
384.43365	0.3
385.12735	4.3
387.14313	1.3
388.21158	4.4
389.16348	0.6
389.21591	1.3
399.14377	2.2
401.15729	0.5
417.15448	19.0
437.14279	1.0
467.15503	0.6
577.19995	0.6
581.24396	0.4
597.23151	0.6
609.23517	2.1
693.23651	3.9
809.87921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.4
69.03432	0.9
70.06592	1.5
71.04992	0.3
79.05496	0.5
80.05021	0.6
81.07044	0.5
82.06580	0.3
83.04973	0.1
84.08145	0.4
87.66581	0.1
91.05469	0.5
93.07035	0.4
94.06547	0.6
95.04967	0.2
95.08607	0.4
96.08147	0.8
97.08912	0.2
98.06070	0.1
99.04471	0.2
100.07614	0.1
105.07024	0.4
106.06507	0.1
107.08603	0.3
108.08134	0.5
108.86126	0.1
109.06505	0.3
109.08903	0.2
110.06066	0.1
110.09687	0.5
111.08103	0.2
112.07568	0.2
117.07013	0.2
119.08588	0.3
120.08104	0.3
120.69331	0.1
121.06483	0.2
122.09663	1.5
123.08057	0.1
124.11256	0.3
125.06000	0.3
127.03868	0.3
129.07005	0.1
131.08569	0.3
132.08073	0.2
133.08875	0.1
133.10126	0.2
134.09645	0.6
135.08037	0.2
135.10490	0.2
135.11591	0.1
136.11200	0.6
137.05995	0.1
138.09129	0.2
141.05437	0.1
143.08568	0.2
145.10104	0.1
148.11259	0.3
149.06027	0.2
150.09157	1.4
150.12796	0.1
151.07559	0.2
153.05502	0.1
154.12247	0.1
155.03391	0.2
155.07115	0.2
155.08427	0.1
157.10216	0.1
159.08054	0.3
160.11313	0.2
161.09605	0.2
162.09064	0.1
162.12804	0.8
164.14391	0.6
165.05536	0.2
165.09172	0.1
166.08606	0.1
167.07092	0.1
168.10205	0.8
170.11897	0.1
172.11301	0.1
173.09619	0.2
175.11183	0.2
176.10628	0.1
176.14279	0.1
181.08597	0.4
182.11772	1.2
183.06505	0.2
184.13373	1.0
188.14365	0.1
189.09126	0.3
190.15909	0.4
191.06915	0.1
191.10789	0.1
196.13390	0.2
203.10664	0.1
208.13342	0.2
209.08020	0.1
219.10185	0.1
220.09918	0.1
220.13293	0.3
221.11769	0.2
234.14931	0.2
236.16475	2.3
244.13304	0.1
246.14891	3.1
246.18654	0.2
247.09659	1.4
249.11311	0.7
259.58429	0.1
262.18161	0.2
264.19601	0.5
274.17828	0.2
276.16071	0.3
286.14401	0.2
286.18094	0.2
292.19028	0.3
296.05542	0.1
302.14328	0.1
302.17520	0.2
304.15411	0.2
316.15491	0.2
316.18970	0.1
318.16931	0.7
320.18561	6.6
342.20895	0.1
344.18564	5.2
348.17975	0.2
360.18042	0.6
400.20984	0.1
403.19791	0.3
418.22217	100.0
419.22601	1.8
653.07611	0.1
809.24023	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	941.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.2
67.35363	0.2
69.03435	2.6
69.07090	0.6
69.88699	0.2
69.89018	0.4
71.01363	0.3
71.04995	1.0
73.02924	2.8
73.03290	0.3
74.78910	0.2
79.05502	1.8
81.03417	2.8
81.03821	0.2
81.07056	2.1
83.05000	0.5
83.08644	0.5
85.02911	4.3
85.03401	0.2
87.04505	0.5
91.03955	2.4
91.05482	1.7
93.07064	1.5
95.04993	0.9
95.08610	1.2
97.02900	4.4
97.03478	0.3
97.06554	0.3
97.10190	0.3
99.04470	0.8
101.02386	1.4
103.03970	0.4
105.07041	1.3
107.05005	0.3
107.08642	0.8
109.02879	0.9
109.10188	0.6
109.73537	0.2
111.08118	0.3
113.29362	0.2
115.03973	0.4
117.07073	0.2
119.08614	0.8
121.06478	0.2
121.10166	1.1
122.10535	0.2
125.09626	0.3
125.83713	0.2
127.03932	1.4
129.07057	0.4
131.08623	0.8
133.10182	0.5
135.11743	0.3
143.22981	0.2
145.05089	0.4
147.11768	0.6
149.09665	0.8
157.10184	0.6
173.11945	0.2
175.11171	0.2
185.04308	0.8
193.12282	1.1
203.05325	0.5
243.08408	1.5
259.08023	0.3
267.16068	0.6
283.15240	2.3
308.69098	0.2
335.25925	0.2
338.27481	0.2
339.18036	0.7
347.09451	2.6
363.09119	0.4
365.10541	1.1
374.33557	0.2
405.13675	5.4
405.18655	0.3
441.21109	0.2
469.20389	0.4
501.23074	8.8
502.24054	0.2
519.29303	4.5
617.40851	0.3
663.28290	7.6
681.34576	4.5
771.35089	0.4
779.45374	2.0
929.38593	0.2
941.50757	100.0
942.50842	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	941.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.8
69.03432	2.9
69.07066	0.6
70.67229	0.2
71.01361	0.4
71.05000	0.8
73.02919	3.1
79.05491	2.6
81.03426	2.5
81.07064	2.6
83.05006	0.3
83.08637	0.4
85.02910	5.3
87.04471	0.4
91.03959	3.2
91.05485	1.9
93.07046	2.1
93.07603	0.2
95.04981	0.6
95.08620	2.3
97.02895	5.5
97.06549	0.2
97.10170	0.3
99.04470	0.7
101.02383	1.6
101.02950	0.2
103.03962	0.4
105.07070	0.8
107.08610	1.0
109.02897	0.8
109.09549	0.2
109.10162	1.2
111.04467	0.2
115.03958	0.4
117.07092	0.3
119.08568	0.9
121.10145	1.3
123.08018	0.2
123.11762	0.3
125.09619	0.2
127.03926	1.5
129.07014	0.2
131.08572	0.3
133.10167	0.5
135.11707	0.5
145.04996	0.5
145.10204	0.3
147.11713	0.6
149.09633	0.5
149.13312	0.3
157.10213	0.3
173.29906	0.2
175.11223	0.3
185.04256	0.7
193.12306	0.5
203.05312	0.7
229.14427	0.4
230.14691	0.2
243.08418	1.7
267.16061	0.3
283.15204	3.1
335.26016	0.8
337.27563	0.6
339.18002	0.5
347.09494	2.2
363.09164	0.5
365.10583	1.1
380.65317	0.2
405.13663	5.7
405.18674	0.3
469.20563	0.3
501.23047	4.5
519.29321	6.8
617.40460	0.3
631.25751	0.3
663.28369	4.3
681.34497	8.4
682.34320	0.3
779.45612	2.0
941.50739	100.0
942.50684	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	946.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	0.4
70.62085	0.2
76.03143	0.2
77.03921	0.3
79.05489	0.2
81.03423	0.8
85.02885	0.3
89.03904	1.3
91.05474	19.6
91.89053	0.1
95.04958	0.3
97.02886	0.2
99.04422	0.1
101.03903	0.2
103.05450	0.6
105.03392	0.2
105.06215	0.1
107.04951	0.4
108.05738	0.3
109.02860	0.4
117.03365	1.1
118.04142	0.4
119.04934	32.0
120.05292	0.2
121.02879	0.2
127.03896	0.2
129.03348	0.5
129.04485	0.2
131.04910	0.5
132.02055	1.3
133.02837	0.3
135.04398	2.3
136.05182	0.5
145.02841	2.4
146.03577	0.5
147.04398	28.0
148.04938	0.1
149.02336	1.0
149.05943	0.2
150.03174	0.1
157.02689	0.2
157.03957	4.3
160.01505	0.2
160.07454	0.1
161.06073	0.1
162.03078	0.3
163.03893	13.1
164.04675	1.2
174.03157	0.5
175.03893	50.3
176.04294	0.4
179.06998	2.7
181.04970	0.3
192.04166	0.9
207.06506	100.0
208.06970	0.6
225.07571	0.2
256.60431	0.1
266.97745	0.1
277.07013	0.2
307.08008	0.3
319.08081	0.1
325.09082	0.2
337.09183	0.2
351.10846	0.9
369.11768	1.6
381.11765	0.1
531.14789	0.4
543.14978	0.9
575.17126	0.3
587.17773	0.7
613.15076	0.2
945.63477	0.5
946.63684	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	946.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.5
71.21857	0.1
75.02339	0.1
76.03149	0.2
77.03926	0.3
79.05487	0.3
81.03415	1.0
85.02893	0.5
89.03900	1.2
91.05479	18.2
95.04978	0.3
97.02914	0.2
101.03899	0.1
103.05470	0.6
104.02637	0.2
105.07042	0.1
107.04952	0.3
108.05732	0.2
109.02908	0.3
116.95711	0.1
117.03371	0.9
118.04155	0.4
119.04941	29.9
127.03968	0.2
129.03357	0.5
129.04462	0.2
131.04926	0.3
132.02071	1.3
133.02818	0.3
134.03590	0.2
135.04408	2.1
136.05202	0.5
137.06006	0.2
145.02840	1.9
146.03601	0.4
147.04405	26.0
148.04762	0.2
149.02339	0.9
149.05984	0.1
151.07512	0.1
157.03966	3.9
157.05234	0.2
158.03648	0.1
162.03128	0.3
163.03903	10.3
164.04657	0.9
174.03168	0.2
175.03903	46.6
176.04367	0.2
177.05597	0.1
179.07027	2.5
181.04932	0.2
191.06940	0.1
192.04144	0.8
207.06517	100.0
208.06833	0.5
235.05878	0.1
259.30484	0.1
307.08148	0.1
325.09103	0.3
351.10764	1.5
363.10974	0.1
369.07440	0.2
369.11826	2.3
505.47189	0.1
531.14929	0.3
543.15009	2.1
587.17377	0.4
613.14587	0.2
663.91992	0.1
674.22119	0.2
731.58044	0.1
765.03412	0.1
945.61707	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	954.6155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	88.9
69.07066	23.8
69.89391	20.6
72.98839	8.4
79.05073	11.6
79.05479	58.2
79.67557	7.9
81.07058	100.0
83.08642	8.9
85.02911	18.6
91.03947	23.3
91.05465	39.1
92.21129	6.9
93.07042	86.1
95.04974	12.8
95.08605	72.7
97.02909	14.4
105.07031	25.0
107.08581	27.6
109.10168	36.7
117.07016	18.6
119.08576	24.7
121.10159	24.8
123.11730	9.1
131.08542	21.3
133.10146	24.8
135.11708	18.0
145.04941	10.0
145.10178	10.5
147.11726	17.0
158.90781	7.2
159.11647	18.3
173.13281	8.1
188.81566	7.0
205.72487	7.7
261.22131	25.1
303.85385	8.2
333.24265	14.1
335.25803	96.5
465.36517	8.5
595.46991	9.2
613.48108	23.5
650.01312	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	956.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.4
67.37116	0.5
68.07514	0.5
69.03430	2.9
71.05013	0.6
71.45870	0.6
75.04491	1.8
77.03925	0.6
78.04740	1.8
79.05516	2.9
81.03408	3.3
82.04192	0.7
85.02902	7.3
91.05474	7.3
93.03407	6.7
93.07045	1.7
94.04205	1.0
95.04970	6.1
97.02895	2.4
97.06564	2.2
97.18890	0.7
99.04418	0.6
102.04671	0.8
103.05460	17.7
105.03390	1.6
105.04523	1.5
105.07016	4.8
106.04168	8.0
107.04964	7.8
108.02127	0.8
109.02930	0.6
109.06540	1.7
110.03661	1.8
111.04432	2.7
115.05460	4.7
117.07030	4.3
118.04165	4.0
119.04960	2.9
120.05777	0.9
121.06509	11.7
122.03650	1.6
123.04414	3.6
124.05226	1.8
125.05988	6.3
127.03922	1.6
129.07018	2.2
131.04924	25.4
131.08572	1.2
132.05710	1.2
133.02853	2.7
133.06493	5.9
134.03638	1.2
135.04410	1.4
135.08051	1.8
137.05975	29.4
138.03119	0.8
139.07562	0.7
141.06989	0.8
142.02678	0.7
143.04903	2.4
144.05690	1.5
145.05026	0.8
145.05379	0.9
145.06476	6.0
146.03717	0.6
147.04384	4.2
147.08041	2.1
148.05186	11.5
149.05978	21.3
149.07184	1.1
151.03911	33.3
151.04971	2.3
151.07506	3.4
152.04662	1.4
153.05458	11.0
153.09068	4.2
155.06007	1.1
157.06500	1.4
159.04433	1.4
159.08061	2.2
160.05186	2.2
161.06000	7.6
163.03877	2.1
163.07545	23.5
164.04575	0.8
165.05467	2.6
165.09126	0.7
167.07042	47.0
171.06557	2.4
172.05235	1.3
173.06003	9.2
174.06772	1.0
175.07532	7.0
176.04681	2.9
177.05479	14.9
177.09117	0.8
179.07043	8.5
181.04956	59.9
181.08528	11.9
183.06430	0.7
186.06744	1.4
187.07550	5.6
189.05472	1.4
189.09061	1.1
189.67735	0.5
190.06238	2.2
191.07028	100.0
193.04956	0.9
193.08571	4.8
194.07294	0.7
195.06535	3.4
199.07591	1.1
201.05463	1.5
201.09097	0.8
203.07031	5.2
205.06625	1.3
205.08571	9.7
207.06477	2.7
207.08165	1.2
207.10156	2.1
209.08081	85.2
215.06964	1.2
216.07797	1.4
217.08601	5.8
219.08232	1.3
219.10133	4.7
221.08063	1.9
222.06712	0.7
223.07498	1.0
225.07434	0.9
229.08585	1.5
231.06389	1.0
231.10327	0.7
233.05945	1.2
233.07979	5.9
234.06754	0.6
235.07480	1.9
235.09633	6.9
236.08257	1.2
237.09122	2.3
241.08473	0.6
245.08078	1.9
247.07420	1.3
247.09651	0.9
248.08351	0.8
249.09097	2.0
249.11342	0.6
251.06917	1.0
251.10651	1.8
257.08026	1.1
259.09824	0.7
263.09174	27.7
264.07761	2.4
265.08456	1.9
265.10907	4.3
267.10138	3.3
275.06723	0.9
276.07764	1.0
277.08478	2.4
278.09274	1.0
279.07114	0.6
279.10193	2.1
283.09552	0.9
283.13278	1.0
291.09921	0.8
292.07239	0.7
293.07965	0.9
295.09625	1.8
296.10312	0.8
297.11121	1.3
299.09021	0.8
305.08054	0.8
306.08871	0.8
307.09641	7.2
308.10248	1.0
309.07867	0.8
309.11194	1.4
311.12656	1.6
312.09897	0.8
314.11374	0.7
325.10635	2.5
327.12119	1.4
329.13791	1.3
331.11636	0.9
337.10577	1.9
339.12268	16.0
340.12787	0.7
341.13007	2.3
351.12140	3.0
353.14038	1.2
355.11679	2.3
357.13400	6.1
359.14847	1.6
367.11588	1.6
369.13281	6.5
370.13452	0.7
371.14526	2.3
383.14789	1.3
385.12775	10.5
387.14377	33.0
388.14508	0.7
399.14392	3.3
401.16000	1.0
413.15735	1.1
417.15439	46.5
418.16461	0.7
418.22253	4.4
419.22095	0.7
519.18781	0.9
531.19885	0.8
547.19476	1.2
549.19806	3.8
567.21790	1.0
579.21033	6.0
624.86011	0.7
636.48419	0.6
711.25012	8.5
741.26477	2.8
758.12439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	41.7
69.03804	2.3
69.07068	1.1
70.04122	1.7
70.04449	1.3
71.04994	4.7
73.02921	8.8
79.05494	4.6
80.05030	1.5
81.03418	38.4
81.07079	2.1
81.22275	0.9
83.29542	0.9
85.02905	100.0
87.04469	24.3
91.03944	6.6
91.05484	4.5
94.04205	1.0
95.04974	4.4
97.02895	62.6
99.04453	11.8
103.03954	3.3
103.05488	2.3
105.07049	3.6
106.04202	1.1
107.04956	11.5
108.04485	6.1
109.02883	25.6
111.04456	1.8
114.73181	1.0
115.03934	77.7
115.05403	9.6
116.06246	1.0
117.07026	11.2
119.04913	1.4
119.08544	1.3
121.06488	1.7
122.03642	3.6
123.04456	3.5
124.05219	2.0
125.06010	2.4
126.05544	1.3
127.03918	80.4
128.06267	2.8
129.07021	7.1
131.04939	4.3
131.08588	4.3
133.04964	29.7
133.06532	3.1
137.05983	67.9
138.12753	1.1
143.04926	7.3
144.05704	2.7
145.04980	61.4
145.06491	22.1
147.04393	1.8
147.08047	2.6
149.06032	2.5
151.03897	3.0
151.07567	2.4
153.05539	3.1
155.06076	2.7
156.04607	1.0
156.05727	4.3
157.05162	2.6
157.06526	6.2
159.06898	0.9
159.08089	6.0
160.05199	10.9
161.04764	1.6
161.05966	8.0
163.06050	9.6
163.07417	1.5
167.07042	69.2
169.05003	2.4
172.05209	4.0
173.05992	38.7
174.06708	2.0
175.07538	81.4
177.05490	2.5
181.05003	2.1
181.06564	1.1
181.08615	1.8
184.05208	1.6
184.94908	1.0
187.06064	2.8
187.07539	42.0
189.05515	1.2
189.09087	7.1
190.06239	13.3
191.07051	6.1
193.04912	1.2
193.08650	3.7
199.07581	4.8
201.09088	2.1
202.06293	3.0
203.07059	4.0
203.08685	1.6
205.08606	71.0
207.06557	1.5
207.10138	1.3
209.08153	2.7
215.06964	1.6
217.06972	1.5
217.08617	38.9
218.07330	2.4
219.08250	1.4
219.10184	5.3
220.08841	1.3
221.09642	3.1
223.09564	1.3
231.08092	2.3
233.09595	4.2
234.06664	2.0
235.09644	58.5
241.06900	10.7
246.06802	1.7
247.09608	7.0
248.08273	1.2
249.09138	4.2
249.11380	1.9
252.08095	1.0
255.06673	1.2
259.08121	31.1
260.08221	1.5
261.09113	6.2
262.10156	1.1
263.07031	2.3
263.10797	1.3
265.10718	71.1
267.10162	1.1
269.08173	2.1
276.07852	2.0
277.09134	42.5
278.09433	5.2
279.06540	1.4
279.09723	1.4
280.07288	1.4
281.11771	8.2
285.07617	7.1
289.08612	3.8
291.09940	1.2
293.08701	1.5
293.11798	4.6
295.09750	1.7
300.09933	10.6
301.10605	4.0
306.09119	1.6
307.09735	3.1
309.11182	9.2
313.10675	2.3
321.11203	10.2
323.09161	2.5
326.11548	2.2
338.11661	1.4
339.12253	3.0
341.13852	31.6
351.12527	1.2
353.13834	32.6
355.15341	5.9
367.10205	2.7
371.14893	67.5
385.11264	2.9
387.14456	2.6
388.21170	13.5
389.15915	2.0
389.21576	1.8
403.12109	3.0
413.16269	1.4
421.13455	2.0
461.16068	1.5
497.18073	1.4
517.15649	1.5
535.16064	2.1
581.20081	1.4
647.22729	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	960.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	31.9
69.07052	0.8
70.06573	0.7
70.55895	0.8
71.04987	1.9
72.04900	0.6
73.02911	5.4
76.03918	0.5
79.05482	0.6
81.03418	5.3
84.62758	0.5
85.02903	100.0
86.09706	23.4
87.04466	0.7
91.03951	0.6
91.73445	0.5
92.00819	0.6
95.04983	1.0
97.02893	31.7
99.04455	8.9
101.02380	5.8
103.03944	0.5
109.02866	6.7
115.03929	3.8
118.50734	0.5
123.04372	1.4
127.03912	85.2
132.10204	20.5
132.11224	0.9
133.05006	1.0
139.03896	0.7
145.04956	85.1
146.05380	0.6
151.03899	1.2
163.06020	32.4
169.04996	0.7
175.11931	1.1
181.04912	1.2
193.04994	1.4
199.05995	1.9
213.34262	0.7
217.07089	1.6
223.05991	4.8
229.07133	2.1
235.05977	0.7
241.07108	1.8
245.04866	0.6
247.08127	2.7
253.07036	4.7
259.08157	6.4
271.08148	9.3
289.09171	27.1
307.10236	1.8
325.11279	59.2
412.55716	0.6
456.20416	0.7
484.84479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.8
68.05025	0.8
69.03431	4.8
69.05791	0.3
69.07072	1.7
70.02939	0.3
70.06595	4.0
71.01359	0.6
71.04995	52.2
71.08634	2.6
72.04540	0.3
73.02922	3.1
74.61838	0.2
76.49149	0.2
79.05499	4.0
80.05023	0.3
81.03423	2.6
81.07061	3.1
82.06577	0.4
83.05002	0.8
83.07330	0.3
83.08623	2.1
84.04512	0.4
84.08143	2.6
85.02909	5.0
85.06557	0.2
85.10178	1.4
86.06074	3.4
87.04451	0.3
88.04003	2.5
91.03954	2.8
91.05477	1.5
93.07052	1.6
94.06516	0.5
95.04981	1.0
95.08603	2.7
96.04540	0.2
96.08135	7.0
97.02901	5.5
97.06532	0.3
97.10181	3.1
98.06070	2.4
99.04492	0.6
101.02401	0.9
102.05566	0.4
105.07040	0.8
106.06580	0.9
106.82446	0.2
107.08595	1.9
108.47204	0.2
109.02895	1.0
109.06527	0.4
109.10149	2.2
111.08084	1.0
112.07613	3.4
114.05572	0.4
114.09144	0.3
115.03957	0.4
117.07056	0.8
119.08582	0.5
121.10194	0.3
122.06046	0.5
123.11710	0.4
124.06754	0.4
124.07602	3.5
125.09647	2.2
127.03938	0.9
131.08586	0.4
133.10124	0.3
135.08044	1.4
140.07114	0.8
141.07860	0.9
142.08643	4.9
145.05017	0.4
148.07686	0.3
153.09151	1.0
158.08125	5.4
158.09323	0.4
163.11169	0.4
170.08134	2.5
189.11284	0.8
193.12384	0.3
202.10823	0.5
227.12759	2.3
229.14445	0.2
239.23750	0.3
248.16557	0.7
250.14473	0.3
291.22711	0.2
313.27304	4.3
483.36935	0.5
566.43903	0.3
578.44385	0.4
596.29218	0.3
606.43787	0.4
624.44873	0.9
638.13898	0.3
642.45929	2.1
724.50574	0.2
804.51447	1.8
966.56305	100.0
967.56525	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	967.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05419	0.4
69.03355	1.8
76.48132	0.4
79.05383	1.3
80.04920	0.4
81.03333	1.4
82.06530	0.7
85.02812	2.8
89.03821	0.7
91.05388	1.7
92.40201	0.4
93.03347	0.7
93.05743	0.5
93.06953	1.6
94.06557	4.5
95.04879	1.3
95.07256	1.4
96.08030	4.5
97.02843	1.1
97.06448	0.8
99.04361	0.5
103.05422	0.7
105.06972	0.5
106.06493	1.0
106.07214	0.4
107.07254	0.5
108.04396	2.1
108.08119	7.7
110.05990	0.6
110.09686	6.8
116.04876	1.5
118.06453	0.6
120.04475	3.8
120.08105	6.7
122.06025	5.7
122.09600	0.9
124.07597	5.0
127.03809	1.5
132.07953	0.5
134.06012	3.1
136.07570	10.6
138.05386	0.7
138.09143	9.2
144.04449	4.1
144.08009	0.6
145.10077	0.5
146.06012	7.4
148.07545	3.3
150.09062	1.4
152.06946	1.9
158.05960	0.7
158.09599	0.6
160.03928	3.0
160.07431	0.5
162.05508	3.1
164.06953	1.9
166.08638	15.8
172.03931	22.4
172.07498	0.7
174.05482	2.3
176.07054	3.8
176.44554	0.5
178.04947	1.1
182.09639	0.9
183.09082	0.9
184.09871	0.9
186.05431	0.9
186.09100	0.8
187.08545	0.8
188.06792	0.6
190.04994	19.9
192.06482	0.7
197.10617	1.4
199.08647	0.6
199.12198	1.8
200.10826	0.6
204.06558	41.9
208.09879	0.7
209.10628	1.4
210.09154	1.4
210.11279	0.5
211.08731	2.8
211.12180	1.0
212.09340	2.3
213.10133	1.3
220.59673	0.5
223.08601	1.3
223.12183	1.5
224.09322	1.8
225.08235	0.7
225.10233	9.0
226.10828	1.3
227.11781	16.7
235.08539	0.9
236.09352	2.0
237.10223	4.5
238.10919	1.4
239.11751	4.4
240.08702	0.8
241.09596	1.7
241.13237	1.6
245.13020	0.9
249.10175	1.6
250.11082	0.7
251.08012	0.8
251.11868	3.0
252.08757	0.6
253.09706	5.8
253.13367	1.2
255.11266	2.3
257.12796	0.8
262.10962	0.5
263.08109	1.8
264.08826	3.3
265.09711	3.4
266.10364	0.8
267.11264	3.3
268.08426	0.6
269.12863	18.1
270.09842	0.6
271.10757	10.8
273.12393	3.1
277.09723	2.6
278.10370	1.0
279.11356	5.7
280.11984	0.8
281.09381	0.7
281.12717	1.2
283.10715	5.4
284.11517	5.0
285.12305	5.7
286.13141	1.1
287.13940	14.3
289.09103	0.6
293.09149	0.8
295.10681	1.7
297.12323	12.3
298.13367	0.7
299.14047	3.3
300.11624	0.5
305.09045	1.3
307.10739	2.3
309.12302	1.3
311.10178	1.0
311.14142	0.7
312.14929	1.8
313.12717	1.9
314.12918	2.1
315.13596	1.6
315.16940	0.5
316.10944	0.9
316.14374	3.2
317.14923	1.1
318.16046	0.7
319.10669	0.8
321.08655	1.0
321.12070	1.1
323.10318	8.4
323.13983	0.4
325.11807	20.8
326.12735	0.6
326.16418	0.9
327.13391	4.0
327.17184	1.4
328.10742	2.3
328.14478	2.9
329.11533	0.9
329.15399	2.2
330.12387	1.1
330.16013	2.5
331.16718	2.1
338.12708	0.5
339.13535	1.8
340.14328	0.7
341.11832	1.6
341.15640	0.7
342.12350	7.7
342.16071	1.2
343.13065	6.7
343.16953	0.9
344.13849	1.1
344.17493	1.3
352.14328	0.7
354.12338	1.0
354.16019	1.3
355.13501	2.0
356.13913	7.1
356.17853	0.5
357.14459	24.4
358.15530	6.5
360.16968	0.7
365.11389	1.3
367.12982	1.1
368.13733	0.9
368.17804	0.9
369.10822	0.9
370.11615	1.2
370.15436	5.7
371.16006	1.8
372.17001	1.9
374.18826	0.6
378.17978	1.9
380.14114	1.2
382.11768	3.7
383.12576	3.2
384.13232	5.2
384.17307	0.7
385.14032	3.1
386.14270	2.2
386.19049	3.5
387.15634	0.7
388.16718	0.9
388.21094	4.7
389.21396	0.9
390.18066	3.9
394.15558	1.1
395.15933	1.0
396.17551	0.7
397.14935	1.4
398.14978	21.3
399.15784	32.5
400.16467	3.7
401.13089	0.6
402.18005	1.7
404.15985	8.2
406.17670	0.6
412.16714	3.1
413.17166	0.7
414.18237	4.7
415.15558	0.8
416.16037	18.8
417.16898	1.3
418.17679	0.7
422.17279	2.4
428.15891	4.9
430.17700	5.0
431.18158	1.5
434.17242	0.7
437.59244	0.5
440.16003	9.7
442.17807	0.6
446.17075	8.0
448.18561	0.7
458.17126	32.4
459.17569	1.6
460.18878	0.6
472.18689	1.3
476.17850	0.9
478.19586	2.7
487.17068	9.7
490.19800	9.6
501.19049	0.5
519.19623	3.0
523.22833	0.7
539.26794	1.3
541.24695	1.4
545.16327	0.9
551.23053	1.6
560.19983	0.9
565.24396	1.1
567.26019	1.6
569.23822	5.6
575.22614	0.8
583.25378	1.0
584.20642	0.7
590.21527	0.6
593.24268	4.1
602.21216	2.2
608.22565	0.8
611.24988	100.0
612.24756	2.3
620.22321	4.2
643.27594	49.4
644.27881	1.1
652.25409	1.2
727.30914	0.5
729.30695	0.9
737.28241	2.5
745.30786	1.3
755.29248	8.7
773.30243	65.1
774.30402	2.0
787.31781	2.8
805.32886	20.8
917.35284	2.7
935.35663	5.1
949.37347	0.5
967.38507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	0.4
68.05030	0.2
69.03430	0.8
69.29752	0.5
69.32980	0.1
70.06595	1.6
71.04995	0.2
75.30388	0.1
79.05513	0.6
80.05020	0.7
81.07062	0.5
82.06565	0.2
83.01369	0.2
83.04993	0.1
84.08134	0.5
84.91401	0.1
91.05493	0.5
93.07039	0.5
94.06579	0.8
95.04962	0.3
95.08595	0.3
96.08142	0.7
97.06540	0.3
97.08907	0.2
98.23510	0.1
99.04452	0.3
105.06985	0.6
106.06590	0.1
107.04939	0.2
107.08574	0.3
108.08128	0.3
109.06519	0.3
109.08884	0.2
110.09678	0.7
111.08082	0.1
113.05973	0.1
117.06985	0.2
119.08582	0.5
120.08117	0.4
121.06500	0.3
122.09669	1.9
123.08009	0.1
123.10448	0.2
124.11204	0.3
125.06004	0.4
127.03914	0.1
129.06961	0.2
131.08580	0.3
133.06566	0.1
134.09666	0.5
135.08044	0.2
136.11201	0.7
137.05971	0.2
137.09589	0.2
137.45334	0.1
138.09143	0.2
139.07553	0.2
140.07130	0.1
143.08578	0.3
145.06473	0.2
145.10089	0.3
146.09647	0.2
147.11659	0.2
148.11203	0.2
149.06000	0.3
149.09631	0.1
150.09117	1.4
151.03946	0.1
151.07571	0.2
152.10811	0.1
153.29054	0.1
154.12300	0.1
155.03386	0.2
155.07024	0.3
155.08714	0.1
156.69389	0.1
159.08080	0.3
160.08865	0.1
160.11163	0.3
161.09630	0.2
162.09131	0.2
162.10396	0.1
162.12778	0.7
163.07536	0.1
164.10736	0.1
164.14322	0.7
166.96043	0.1
167.07050	0.2
168.10185	1.1
173.09584	0.1
175.11195	0.4
176.14299	0.2
181.08588	0.4
182.11769	1.8
183.06586	0.3
184.13336	0.9
187.11224	0.1
188.10629	0.1
189.09094	0.2
191.54811	0.1
192.13916	0.2
193.12404	0.1
196.13319	0.1
206.11926	0.1
210.14891	0.1
217.08615	0.3
219.10213	0.2
220.13316	0.4
225.20943	0.1
234.09007	0.1
234.14838	0.2
236.16460	2.7
244.17027	0.1
246.14870	2.6
247.09671	1.1
248.16470	0.2
249.11250	1.0
250.14554	0.1
256.16965	0.1
262.18094	0.2
264.19601	0.4
276.15903	0.3
292.18991	0.5
302.17365	0.2
304.15530	0.1
318.16977	0.8
320.18564	6.9
344.18573	4.7
360.17960	0.7
372.21194	0.1
388.21048	0.5
397.27951	0.1
400.21121	0.1
403.19876	0.4
418.22220	100.0
419.22565	2.0
616.00409	0.1
680.91479	0.1
784.10345	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	969.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05447	0.3
68.05008	0.1
69.03429	1.3
69.07018	0.1
69.46064	0.2
69.46457	0.1
70.02910	0.1
71.04955	0.2
73.02862	0.1
79.05489	0.6
80.04962	0.3
81.07066	0.5
82.06542	0.2
83.01351	0.4
83.04938	0.1
83.07302	0.3
85.02862	0.2
85.06492	0.1
86.06042	0.1
87.04270	0.1
91.05480	0.8
93.05740	0.1
93.07047	0.6
94.06496	0.2
95.04958	0.5
95.08575	0.1
96.04447	0.1
96.08138	1.0
96.15678	0.1
97.02852	0.1
97.06478	0.1
98.06030	0.1
98.09640	0.2
99.04395	0.3
100.11182	0.2
103.05394	0.1
105.04508	0.1
105.07037	0.4
106.06556	1.5
107.04886	0.3
107.07300	0.2
107.08528	0.3
108.08070	0.2
109.06471	0.2
109.08862	0.1
110.09615	0.2
111.08001	0.1
112.07604	0.1
112.11193	0.2
113.02277	0.1
115.03886	0.1
115.05431	0.2
117.06963	0.3
118.06488	0.3
119.04917	0.2
119.08522	0.3
120.08101	0.5
121.06515	0.4
121.08866	0.1
121.10133	0.1
122.09613	0.3
122.19516	0.1
123.08032	0.1
123.10394	0.2
124.07561	0.1
124.11154	0.2
126.09127	0.2
127.03891	0.4
128.06197	0.2
128.10628	0.3
129.06923	0.3
131.08501	0.3
132.07996	0.1
133.06418	0.2
133.08841	0.2
134.09636	0.6
135.04367	0.1
135.07991	0.2
135.10341	0.1
136.07532	0.1
136.11226	1.6
137.05916	0.1
137.09557	0.1
138.09082	0.2
138.12785	1.8
139.03867	0.2
139.07437	0.1
140.10747	0.6
141.05489	0.1
141.06908	0.1
142.07721	0.2
143.08501	0.3
144.08096	0.1
145.06454	0.4
145.10030	0.2
146.05989	0.1
146.09657	0.2
147.07977	0.2
148.07527	0.2
148.11119	0.2
149.05974	0.1
149.09598	0.2
150.09116	0.2
151.03888	0.1
151.07497	0.1
152.10738	0.4
153.01741	0.2
153.05411	0.3
154.12263	1.3
155.03378	0.6
155.06949	0.3
155.08510	0.2
155.16257	0.1
156.08151	0.1
157.06429	0.2
157.10062	0.2
159.07985	0.2
159.11678	0.1
160.11186	0.2
161.05971	0.1
161.09587	0.2
161.11920	0.1
162.09108	0.1
162.12779	0.4
163.07492	0.2
163.11050	0.1
164.10732	0.4
165.05515	0.5
167.07007	0.3
167.08447	0.2
169.06332	0.1
169.10057	0.1
170.07210	0.1
171.08020	0.2
172.08791	0.1
173.05898	0.2
173.09602	0.3
174.12740	0.3
175.07469	0.2
175.11234	0.1
176.10637	0.2
176.14311	0.5
177.09087	0.2
178.12209	0.1
179.06976	0.3
179.08432	0.1
179.13057	0.4
181.04871	0.1
183.06465	0.7
183.07996	0.1
184.11162	0.1
185.06013	0.1
185.09552	0.3
187.07600	0.2
187.11137	0.2
188.10648	0.1
189.12660	0.1
190.12321	0.2
191.06941	0.2
192.13789	0.3
193.04901	0.3
195.06453	0.2
195.08078	0.2
197.09601	0.2
199.07494	0.1
201.09044	0.3
202.09871	0.1
202.12213	0.3
203.07051	0.1
204.13860	0.4
204.17508	0.1
205.08551	0.3
205.14417	0.1
206.15424	0.2
207.06519	0.4
207.10114	0.2
211.07452	0.1
211.11133	0.1
212.08257	0.1
213.09074	0.3
213.82993	0.1
215.10632	0.1
217.08662	0.2
219.06549	0.1
220.13255	0.3
220.16751	0.1
221.08110	0.2
221.13713	0.1
222.14992	0.1
223.07544	0.1
229.08658	0.1
229.12140	0.1
231.10136	0.2
232.13457	0.2
232.16902	0.2
233.08044	0.2
241.08572	0.2
243.10104	0.2
245.08115	0.6
245.11818	0.2
247.09677	0.5
250.17899	0.1
255.10086	0.1
258.14883	0.1
259.09625	0.2
261.11249	0.4
263.09167	0.3
273.11249	1.1
275.12778	1.2
279.08557	0.2
284.12949	0.1
289.10632	0.3
291.12256	1.2
293.11578	0.1
296.31741	0.1
301.11133	0.1
302.13956	0.2
302.17252	0.1
310.17731	0.1
328.15375	0.2
330.17105	0.1
339.15549	0.1
342.17014	0.3
346.16388	0.1
351.15686	0.1
353.16287	0.1
358.20224	0.5
361.18790	0.2
368.18539	0.3
371.17255	0.2
376.21106	0.3
386.19635	3.2
388.85574	0.1
404.20660	100.0
405.21033	1.3
418.22226	0.2
419.22781	0.2
566.25958	15.1
567.26184	0.4
965.52863	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	970.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.1
69.45554	0.7
70.06283	0.2
70.06596	1.9
71.04999	0.4
74.65018	0.2
75.68974	0.2
79.05483	0.8
80.05007	1.0
81.03371	0.1
81.07051	0.7
82.06590	0.3
83.01363	0.2
84.08139	0.5
89.50699	0.2
91.05485	0.7
93.07037	0.5
94.06595	0.5
95.04936	0.3
95.08589	0.3
96.08141	1.0
97.72736	0.2
98.09664	0.2
99.04471	0.4
105.07021	0.6
107.08600	0.3
108.08129	0.5
109.06519	0.3
109.08886	0.3
110.09670	0.7
111.08070	0.2
119.08590	0.6
120.08107	0.5
121.10137	0.2
122.09670	1.5
123.08033	0.2
124.07572	0.2
124.11279	0.3
127.03901	0.4
128.07062	0.2
131.08571	0.4
134.09621	0.4
136.11214	1.1
138.09111	0.3
139.07535	0.2
145.10080	0.2
148.11234	0.3
149.06065	0.2
150.09152	1.4
151.07509	0.3
153.05484	0.3
155.03413	0.4
155.07036	0.2
160.11276	0.2
162.12776	0.8
164.10693	0.3
164.14363	0.8
165.05411	0.2
166.12318	0.2
166.29568	0.2
167.07054	0.3
168.10194	1.1
173.09660	0.5
175.11197	0.4
176.10606	0.2
179.07100	0.2
181.08649	0.4
182.11745	1.8
183.06490	0.5
184.13315	1.2
189.09109	0.2
190.15913	0.2
208.13327	0.3
217.76906	0.2
218.15405	0.3
220.13383	0.3
236.16423	2.8
246.14928	3.9
247.09683	1.1
249.11279	1.1
262.17929	0.2
264.19592	0.5
274.17911	0.3
276.15936	0.3
292.19116	0.6
304.15494	0.2
318.17099	0.7
320.18576	7.5
321.18896	0.4
340.97406	0.2
344.18573	5.5
345.18942	0.2
360.18021	0.5
372.21658	0.3
400.21259	0.2
403.19852	0.5
418.22232	100.0
419.22623	4.4
419.28177	0.4
420.22906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04990	0.3
69.03441	1.1
69.07018	0.1
69.38325	0.4
70.06593	1.6
71.04956	0.3
73.85593	0.1
77.03909	0.2
79.05493	0.8
80.05016	1.0
81.03396	0.2
81.07052	0.6
82.06541	0.2
83.01315	0.4
83.04964	0.2
83.07354	0.1
84.08101	0.5
85.02875	0.3
87.04422	0.1
91.05461	0.9
93.07027	0.9
94.06571	0.8
95.04962	0.6
95.07297	0.1
95.08569	0.4
96.08115	0.7
97.02863	0.2
97.06514	0.2
99.04459	0.5
105.07045	0.9
106.06517	0.4
107.04915	0.3
107.08544	0.4
108.08078	0.4
109.06474	0.4
110.09686	0.6
117.07008	0.3
118.06496	0.4
119.08595	0.6
120.08068	0.4
121.06464	0.4
121.10146	0.1
122.09659	1.8
123.08035	0.3
124.11219	0.6
125.05960	0.3
127.03910	0.8
128.06171	0.1
128.07095	0.2
129.07007	0.3
131.08543	0.4
132.08049	0.2
133.06433	0.3
133.10100	0.3
134.09624	0.5
135.08032	0.3
135.10461	0.2
136.07559	0.2
136.10338	0.1
136.11211	1.3
137.05951	0.3
137.09615	0.2
137.11961	0.2
138.09119	0.3
138.12738	0.2
139.07477	0.3
140.10703	0.1
141.05476	0.2
141.06905	0.1
142.07729	0.3
143.08527	0.3
145.06456	0.2
145.10117	0.3
146.09627	0.2
147.08023	0.2
147.10452	0.1
147.11603	0.3
148.11209	0.3
149.05930	0.3
149.09520	0.1
149.12016	0.1
149.97380	0.1
150.09132	1.4
150.12770	0.1
151.03993	0.1
151.07515	0.3
152.10657	0.2
153.05444	0.3
153.09120	0.2
154.12228	0.7
155.03409	0.7
155.07001	0.7
155.08453	0.2
157.10126	0.2
159.08044	0.2
159.11707	0.1
160.07559	0.2
160.11182	0.2
161.09572	0.2
162.12753	1.0
163.11145	0.4
164.10693	0.3
164.14349	0.8
165.05508	0.6
165.06741	0.2
165.09091	0.2
167.07040	0.5
167.08459	0.2
168.10182	1.1
169.10016	0.1
171.08054	0.2
173.05933	0.2
173.09624	0.4
174.12773	0.6
175.07632	0.3
175.11116	0.3
176.14375	0.2
177.09088	0.2
178.12245	0.2
179.07028	0.3
180.13847	0.2
181.08554	0.4
182.11746	1.7
182.14330	0.1
183.06496	1.0
183.08003	0.2
184.13368	0.9
185.09653	0.2
187.07437	0.3
187.11131	0.2
188.10657	0.4
189.09105	0.4
190.12225	0.1
190.15889	0.2
191.06967	0.2
192.13750	0.1
193.04883	0.1
193.08675	0.1
195.06512	0.2
196.13385	0.1
197.09650	0.2
199.07588	0.2
199.11099	0.1
201.09048	0.2
202.12242	0.7
203.10689	0.2
203.13007	0.1
204.13786	0.3
205.08536	0.2
206.11736	0.1
207.06506	0.4
207.10172	0.2
208.13321	0.3
210.14807	0.1
211.07629	0.1
214.15721	0.1
215.10631	0.2
217.08540	0.2
219.06444	0.1
219.10095	0.2
220.13324	2.5
221.11765	0.2
222.14905	0.2
225.07426	0.2
227.10765	0.2
229.08578	0.1
230.15350	0.2
231.10330	0.2
232.16920	0.1
233.11757	0.1
234.14851	0.3
235.09610	0.1
236.16463	2.6
238.09721	0.1
245.11693	0.1
246.14879	2.6
247.09653	1.2
248.16347	0.2
249.11188	1.2
258.14859	0.7
259.09579	0.2
261.11194	0.9
262.18097	0.2
263.09113	0.3
264.19559	0.5
267.75916	0.1
273.11230	1.4
275.12808	0.2
276.15894	0.5
284.16666	0.2
286.18021	0.2
290.13803	0.1
290.17444	0.1
292.19055	0.5
299.13010	0.1
302.14136	0.1
302.17542	0.3
304.15417	0.2
318.17062	0.5
320.18570	6.7
344.18573	5.1
360.18039	0.6
368.18375	0.3
374.23422	0.2
386.19583	0.2
390.22910	0.2
400.21326	0.3
403.19916	0.5
404.20688	16.9
405.21155	0.2
417.21036	0.2
418.22223	100.0
419.22501	1.4
566.25940	38.9
567.26044	0.5
697.71143	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	985.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.8
69.07038	0.1
70.06549	0.1
71.04995	0.6
73.02873	0.2
73.16216	0.1
77.03902	0.1
79.05495	0.7
80.05019	0.5
80.20831	0.1
81.03410	0.3
81.07005	0.3
83.01349	0.4
83.04938	0.2
84.04475	0.1
84.08064	0.1
85.02909	0.7
85.06535	0.3
87.04415	0.2
91.03912	0.1
91.04958	0.1
91.05466	0.9
92.05001	0.1
93.05730	0.1
93.07044	0.7
94.06511	0.1
95.04985	0.5
95.08567	0.2
97.02898	0.3
97.06496	0.2
99.04456	0.4
103.05450	0.1
106.06555	1.2
107.04940	0.5
107.08540	0.2
108.08078	0.3
109.02811	0.1
109.06521	0.4
110.05996	0.2
111.08013	0.1
112.07544	0.2
113.05975	0.2
115.05403	0.2
117.05682	0.1
117.07027	0.4
118.06489	0.3
119.04864	0.2
119.08497	0.3
120.08121	0.4
121.06535	0.3
122.05966	0.1
122.09597	0.2
123.04456	0.1
123.08042	0.2
124.07583	0.1
124.11147	0.1
126.09090	0.1
127.03913	0.9
128.06163	0.2
129.06999	0.4
130.06503	0.4
130.07343	0.1
130.07692	0.1
131.07173	0.1
131.08578	0.3
132.08015	0.2
133.06499	0.4
133.10074	0.1
134.05988	0.2
134.07103	0.1
134.09657	0.7
135.04404	0.1
135.08008	0.3
136.07513	0.2
136.11177	0.1
137.05914	0.3
137.09532	0.2
138.09090	0.1
139.07484	0.2
140.10756	0.1
141.05452	0.3
141.06995	0.2
141.72998	0.1
142.07719	0.2
142.12238	0.2
143.08498	0.3
144.07974	0.1
144.10152	0.1
145.06454	0.5
145.10088	0.4
146.05942	0.1
146.07181	0.1
146.09604	0.2
147.07971	0.3
148.07527	0.2
148.11169	0.1
149.05878	0.1
149.09608	0.1
150.09067	0.3
151.03867	0.2
151.07533	0.1
152.06314	0.1
152.10669	0.5
153.05403	0.2
153.06883	0.1
154.12215	0.2
155.02394	0.1
155.03403	0.9
155.06978	0.7
155.08475	0.4
157.06383	0.1
157.10080	0.3
158.09619	0.1
159.08080	0.4
159.11693	0.1
160.07494	0.2
160.11165	0.2
161.05884	0.1
161.09579	0.2
162.09077	0.2
162.12793	0.1
163.07454	0.1
164.10612	0.1
165.05484	1.1
165.06834	0.1
165.08989	0.2
167.07068	0.9
167.08429	0.1
168.10127	0.2
169.10071	0.1
170.09576	0.1
170.11789	0.6
171.08020	0.1
172.07512	0.1
172.08821	0.2
172.11240	0.4
173.05873	0.2
173.09570	0.3
174.09077	0.1
174.10416	0.1
174.12688	0.1
175.07457	0.2
176.08322	0.1
177.09053	0.2
177.12689	0.1
178.08626	0.1
179.06975	0.3
181.04912	0.1
181.08498	0.2
182.07309	0.1
183.06477	0.8
183.08040	0.2
184.08810	0.1
184.11194	0.2
185.09543	0.3
187.07475	0.2
187.11224	0.1
189.09114	0.2
190.12257	0.2
191.06984	0.2
191.10625	0.1
192.13805	0.1
193.04921	0.1
193.08531	0.2
195.06438	0.4
195.08067	0.2
196.13326	0.1
197.09601	0.2
199.07439	0.2
199.11128	0.1
200.08313	0.1
200.10661	0.1
201.09068	0.4
202.06064	0.1
202.12193	0.3
203.10571	0.1
204.13853	0.1
205.08517	0.3
207.06499	0.5
207.10049	0.2
208.13284	0.1
211.07542	0.2
212.08266	0.1
213.09119	0.4
215.10649	0.2
216.10126	0.1
216.13808	0.1
217.08636	0.1
217.12180	0.1
218.09854	0.1
218.11760	0.5
219.06412	0.1
219.10164	0.2
220.07370	0.1
220.11258	0.1
220.13307	1.8
223.09564	0.1
227.10596	0.1
228.07791	0.1
229.08609	0.1
231.10159	0.1
233.08023	0.2
233.11647	0.1
236.12732	0.3
236.16499	0.1
238.14397	0.1
241.08589	0.2
243.10138	0.1
245.11713	0.2
247.09624	0.5
248.16344	0.1
249.11186	0.2
254.09399	0.1
254.12132	0.1
255.10220	0.1
256.07309	0.1
258.14948	0.3
259.09576	0.1
261.11224	1.1
263.09097	0.7
266.17435	0.1
271.09637	0.3
273.11215	1.6
275.12717	0.4
276.16000	0.1
283.12997	0.1
288.12512	0.1
290.13864	0.2
292.15347	0.3
294.17023	0.1
300.12372	0.1
306.13358	0.1
339.16229	0.1
343.15176	0.1
345.12924	0.1
352.12973	0.1
367.15347	0.1
373.16510	0.1
377.18332	0.1
384.17896	0.3
386.19739	0.3
402.19070	0.3
404.20645	4.6
420.20126	100.0
421.20471	1.4
566.25928	16.9
567.26355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.0
70.06593	1.9
71.04985	0.2
71.46466	0.2
79.05491	0.3
80.05012	1.0
81.07042	0.4
82.06568	0.2
83.01328	0.2
84.08128	0.6
91.05468	0.3
93.07040	0.6
94.06563	0.7
95.04968	0.3
95.08595	0.4
96.08134	0.7
105.07027	0.5
107.08607	0.4
108.08125	0.3
110.09681	0.6
117.06993	0.2
119.08576	0.5
120.08109	0.2
121.06549	0.2
122.09665	1.9
124.11211	0.3
125.05961	0.4
131.08545	0.2
133.10126	0.2
134.09648	0.3
135.08026	0.2
136.11221	1.0
138.09166	0.3
143.08566	0.3
145.06487	0.1
145.10123	0.3
146.09671	0.2
147.11682	0.2
148.11232	0.5
150.09106	1.6
151.07512	0.3
153.05449	0.2
154.12227	0.2
155.03386	0.3
155.07037	0.3
157.10114	0.2
159.08008	0.2
159.23846	0.1
160.08923	0.2
162.12793	0.7
164.10750	0.2
164.14348	0.8
167.07095	0.3
168.10208	1.2
175.11241	0.2
176.14384	0.2
179.07028	0.2
180.74869	0.1
181.08580	0.3
182.11784	1.7
183.06551	0.4
184.13341	1.0
188.14374	0.2
189.09123	0.2
190.15927	0.3
196.13193	0.2
210.14896	0.2
217.08635	0.2
219.10107	0.2
220.13281	0.2
233.11732	0.2
234.15034	0.2
236.16458	2.5
246.14867	2.5
247.09702	1.0
249.11192	0.9
262.17938	0.2
264.19577	0.5
274.14587	0.2
274.17828	0.2
276.15869	0.3
278.13846	0.2
292.18961	0.3
302.13870	0.2
302.17380	0.2
304.15433	0.2
316.15665	0.2
318.16934	0.6
320.18549	6.3
342.20721	0.3
344.14423	0.3
344.18552	3.9
360.17926	0.3
372.21417	0.2
375.19849	0.2
388.17355	0.2
390.22818	0.2
400.21225	0.2
403.19949	0.4
418.22217	100.0
419.22626	1.7
435.89655	0.2
511.24622	0.2
542.27295	0.2
757.84009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.361
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.9
70.52394	0.4
73.02917	0.8
77.39455	0.3
80.69635	0.3
81.03407	2.1
85.02913	4.8
86.09694	0.4
87.04462	0.8
91.05476	0.6
97.02898	2.7
103.03967	0.7
109.02882	1.2
115.03921	2.0
118.06528	1.6
127.03922	2.6
129.07008	0.4
132.08075	0.6
137.05989	3.8
143.04970	0.5
145.04982	3.0
146.06006	100.0
147.06358	0.6
153.28432	0.4
154.12370	0.4
158.05995	0.5
159.06799	0.6
160.05321	0.9
160.07576	23.2
170.06006	4.5
172.07465	0.7
174.05521	0.8
174.09137	0.4
175.07523	2.7
176.07042	0.6
180.07994	0.4
184.07603	1.6
186.05515	1.4
187.07585	1.1
188.07066	30.5
192.06538	4.0
198.09142	0.7
200.07071	1.8
202.08633	1.2
208.07530	1.0
212.07066	3.4
214.08643	0.7
216.06512	1.0
226.08617	1.7
230.08099	2.1
234.07617	1.4
236.06996	1.9
242.08099	1.1
254.08177	3.8
258.07590	1.3
259.08078	0.8
272.09174	3.0
276.08591	1.2
277.09158	0.7
282.07657	0.7
290.10159	3.8
291.10181	0.4
300.08636	3.6
308.11301	4.5
318.09705	8.8
336.10770	26.3
342.09494	0.9
350.12039	0.7
360.10767	4.4
378.11926	4.3
402.11719	1.6
404.13000	0.5
408.10764	0.4
416.13022	0.5
426.11905	2.9
444.12943	1.7
464.15353	0.8
548.16919	0.4
558.15735	0.9
566.18359	1.7
576.16907	2.1
584.19586	1.7
591.26172	0.5
594.18256	1.9
612.19067	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	988.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	33.4
69.92211	0.5
70.26973	0.5
71.01357	1.1
71.04986	2.1
73.02917	5.6
78.04711	1.0
79.05488	3.7
80.05005	1.3
81.03416	34.5
81.07079	0.7
83.01333	0.9
83.04983	0.9
85.02902	77.4
87.04465	20.6
91.03968	4.3
91.05463	2.9
95.04964	3.1
97.02892	52.2
97.70347	0.6
99.04453	7.9
101.02380	1.2
102.04656	0.5
103.03988	2.9
103.05472	1.2
105.04504	0.8
105.07031	1.2
106.04192	0.5
107.04951	11.5
108.04473	4.7
109.02878	23.5
111.04470	1.0
115.03928	61.0
115.05363	6.6
116.06249	0.6
117.07016	17.0
119.04946	0.6
119.08560	0.8
121.06477	1.0
121.22628	0.5
121.45684	0.5
123.04445	3.0
123.08128	0.6
124.05199	2.3
125.02345	0.7
125.05969	1.2
126.05521	1.1
127.03913	64.1
128.06213	1.6
129.06998	2.4
130.04169	1.1
131.04895	1.4
131.08582	4.0
133.04968	21.1
133.06519	1.2
137.05919	0.9
138.12811	0.6
139.03908	0.5
141.07042	1.7
143.04848	0.7
144.05699	3.2
145.04955	48.5
145.06468	39.8
147.04442	0.7
147.08008	1.4
149.05962	1.4
151.03896	1.9
152.04704	1.6
153.05373	1.2
155.04906	1.1
155.06032	7.6
155.07085	0.8
156.05693	7.0
157.04951	1.9
157.06464	2.4
159.08052	6.6
160.05165	0.7
160.28227	0.5
161.05981	4.0
163.03870	1.9
163.06010	7.7
165.05560	1.0
167.07033	51.2
169.04898	1.4
169.06328	0.8
169.07634	1.0
173.05978	76.2
174.06540	0.8
175.03822	0.8
175.06003	1.5
175.07527	2.6
177.05467	1.0
179.07018	0.7
181.04970	2.3
181.07030	0.6
181.08594	1.3
183.06534	1.2
184.05167	2.7
186.06779	1.2
187.06012	2.4
187.07544	7.3
189.05519	0.6
189.09106	0.6
190.06248	43.6
191.07042	3.0
191.08437	0.7
193.04976	1.0
193.08612	1.3
195.06537	2.0
202.06248	5.6
202.07988	0.7
203.07028	9.1
203.08832	0.8
205.08604	100.0
206.08955	0.8
207.06496	2.4
209.07971	0.7
211.07663	0.7
215.06998	1.5
217.08607	48.9
218.09160	0.6
219.07999	1.7
219.10156	4.7
223.05911	0.6
223.09613	2.8
229.08807	0.8
231.08073	1.2
231.10175	1.0
233.09753	0.7
234.10353	0.6
235.05858	1.4
235.09637	31.8
236.08240	0.7
241.07043	10.0
245.09663	0.6
247.07442	2.0
247.09679	7.8
248.08340	2.3
249.08965	0.9
249.11256	1.9
251.10696	0.6
253.07056	1.8
258.09616	0.7
259.08109	25.3
260.08252	1.2
261.09055	0.9
262.09940	0.8
263.06897	0.8
263.10550	2.2
264.07806	1.4
265.10709	95.6
266.10941	1.3
269.08096	2.1
271.09637	2.3
275.06958	1.1
276.07791	1.1
276.10623	1.3
277.09180	37.3
278.09357	0.7
279.10071	2.3
282.08859	1.1
283.08215	1.6
289.09024	0.9
290.09195	1.1
291.10184	3.1
293.08054	1.6
299.09094	1.6
301.09293	3.1
307.09448	2.8
308.10370	1.6
309.07697	0.6
309.11075	1.0
311.12494	1.1
315.08566	7.3
316.09283	0.7
319.09833	2.4
322.08255	0.8
323.09399	0.8
323.12637	2.9
325.11063	1.2
330.10971	13.2
331.11697	3.2
336.09946	0.7
337.10510	1.5
339.12100	1.7
343.11517	1.3
351.12289	3.9
353.10107	1.1
356.12350	1.2
367.10123	2.8
368.12573	1.6
369.13419	2.8
371.14719	2.2
383.14868	16.4
385.11197	2.9
385.16327	1.4
388.21170	10.5
389.21518	5.7
390.21735	2.1
401.15945	42.9
403.12164	2.4
417.15598	2.4
419.16693	0.8
421.13538	2.8
443.16800	0.8
461.18094	0.8
499.14438	1.6
509.17905	0.8
517.15753	3.0
527.18719	1.2
535.16492	3.5
600.79199	0.6
601.28662	0.7
659.22888	1.2
677.23938	1.0
917.59137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	1.3
69.79469	1.4
79.05496	0.5
81.07052	2.0
83.08623	0.8
91.05502	0.4
93.07002	0.4
95.08609	1.5
97.10207	0.4
105.07057	0.5
105.25653	0.4
109.10167	0.5
121.10143	0.4
134.98195	5.4
203.05299	1.2
259.07886	0.8
268.90179	0.4
274.35254	0.6
337.27478	1.7
359.25677	0.8
422.64182	0.4
471.24786	14.0
527.23083	0.5
541.33459	100.0
542.33765	2.0
977.26740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.4
69.07089	0.6
69.88999	0.9
73.02919	1.9
74.69920	0.2
79.05488	1.8
81.03441	0.8
81.07052	1.4
85.02914	2.8
91.03964	1.9
91.05479	1.9
93.07056	1.8
95.04989	0.3
95.08644	1.0
97.02901	2.5
98.22681	0.4
99.04455	0.4
101.02421	0.6
105.04564	0.4
105.07050	1.6
105.39735	0.3
107.08628	1.0
109.02921	0.5
117.07023	0.4
119.08620	1.1
121.02901	0.8
121.10184	0.7
127.03957	1.0
131.08565	0.5
133.10181	1.0
135.11732	0.4
137.80099	0.3
143.08569	0.3
145.10170	0.5
147.11745	0.7
149.31917	0.3
159.11636	0.3
185.04329	0.7
194.92201	0.3
201.03787	0.8
203.05437	0.7
243.08388	1.5
257.06418	0.3
301.09164	0.8
317.20877	0.5
347.09430	3.6
363.09140	1.1
365.10727	0.9
373.23785	0.3
405.13684	4.9
405.18759	0.4
463.14508	1.1
465.20932	0.7
475.14673	0.4
477.15906	0.6
503.18127	0.4
525.23639	0.3
535.16809	0.4
535.28766	5.1
559.23828	0.7
583.70081	0.3
607.31165	0.4
627.26459	0.7
687.28632	0.8
697.34088	8.0
728.91547	0.3
769.36603	1.0
783.37567	0.8
797.38934	0.4
811.41119	0.5
829.50970	0.4
898.43469	0.3
991.56012	100.0
992.55688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.5
69.07061	0.1
70.06583	0.1
70.56724	0.1
70.92570	0.1
71.07368	2.2
79.05463	0.1
80.97426	0.1
81.07053	0.4
83.04986	0.1
83.08614	0.1
86.09700	26.3
91.05473	0.1
93.07001	0.1
95.08582	0.2
98.98460	2.2
104.10738	2.6
124.99994	18.3
127.61330	0.1
143.01054	0.1
155.07042	0.2
166.02589	0.1
176.08896	0.1
179.87378	0.1
184.07327	100.0
185.07642	0.3
195.06461	0.1
258.11029	0.2
337.27261	0.2
410.26440	0.1
457.92963	0.1
502.32852	2.0
520.33948	25.3
521.34216	0.3
727.01056	0.1
864.57123	0.1
997.32513	0.1
1012.64575	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	998.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.9
70.06590	1.6
71.04986	0.2
71.45528	0.2
71.84633	0.1
71.85825	0.1
79.05480	0.5
80.05013	0.7
81.07056	0.4
82.06584	0.2
83.01334	0.2
83.04983	0.2
84.08138	0.7
91.05484	0.5
93.07046	0.4
94.06561	0.6
95.04994	0.2
95.08632	0.3
96.08121	0.7
99.04473	0.3
100.07639	0.3
105.07032	0.4
107.08601	0.4
108.08133	0.2
109.06539	0.3
110.09693	0.6
117.07030	0.2
119.08615	0.4
120.08067	0.3
121.06509	0.2
122.09650	1.5
124.11257	0.3
125.06036	0.2
127.03912	0.3
127.56080	0.2
133.10117	0.2
134.09682	0.5
135.08046	0.2
135.10468	0.1
136.07561	0.1
136.11214	0.8
137.06018	0.2
138.09161	0.3
145.10141	0.3
146.09698	0.1
147.11719	0.2
148.11229	0.3
149.05974	0.2
150.09146	1.7
151.07591	0.3
153.05460	0.2
154.12238	0.2
155.03378	0.2
155.07047	0.2
160.11165	0.3
161.09613	0.2
162.09157	0.3
162.12805	0.7
163.07632	0.2
163.22404	0.1
164.14374	0.6
165.05469	0.2
167.07045	0.4
168.10182	1.3
173.09634	0.3
175.11255	0.3
177.05417	0.2
179.07069	0.2
181.08659	0.3
182.11731	1.6
183.06607	0.2
184.13358	0.6
189.09158	0.2
190.15999	0.3
191.07198	0.2
202.12241	0.2
205.08569	0.1
207.06590	0.3
208.13290	0.2
210.14925	0.1
219.10251	0.1
220.13297	0.3
222.14908	0.2
234.14967	0.3
236.16451	2.4
246.14868	2.7
246.17155	0.2
247.09685	1.1
248.16528	0.2
249.11195	1.2
253.57181	0.1
262.18188	0.2
264.19614	0.4
274.17917	0.3
276.16034	0.4
292.19012	0.5
302.14191	0.2
302.17545	0.3
304.15302	0.2
318.16953	0.5
320.18573	6.7
344.18533	4.8
344.22665	0.3
360.17975	0.5
372.21613	0.3
390.18857	0.2
400.20975	0.2
403.19916	0.3
418.22217	100.0
419.22449	1.0
429.24393	0.2
1016.39117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.7337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	6.7
69.89814	2.2
69.90161	1.5
71.08637	2.8
79.05492	2.1
81.07056	9.0
83.08626	7.4
85.10195	2.3
93.07044	4.1
95.08618	9.7
97.06525	1.4
97.10173	4.1
107.08570	4.7
109.10149	4.9
111.08086	1.7
111.11713	1.3
121.10168	5.0
123.11721	2.3
135.11685	4.4
137.09610	1.0
139.11125	1.3
149.13245	2.7
153.12869	1.2
163.14844	1.8
167.14287	1.1
177.16492	1.1
184.07411	1.5
191.17888	1.1
279.26797	1.9
307.26343	2.5
343.28574	5.3
381.30014	6.0
399.30884	6.3
425.23163	1.0
455.33783	8.2
473.34735	100.0
474.34756	1.7
501.64886	1.1
614.34650	1.1
830.82269	1.0
906.40619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	33.7
72.99284	0.7
73.02946	1.8
83.01382	1.8
85.02950	9.9
87.00870	2.1
89.02444	35.9
95.01382	2.6
97.02923	0.9
99.00858	1.0
101.02443	20.8
111.00880	1.1
113.02451	21.5
115.03939	0.5
119.03499	6.8
125.02435	1.6
129.01952	0.9
131.03481	2.0
143.03514	4.6
149.04570	1.2
160.06190	1.0
161.04550	6.1
179.04063	0.9
179.05598	13.8
203.05620	0.5
221.06638	0.5
252.15817	0.5
323.09851	8.5
341.10913	3.6
485.15164	4.0
503.16174	100.0
504.16425	1.3
665.21429	57.6
666.22760	0.9
682.95837	0.7
691.95227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	2.6
73.83054	0.8
79.95732	18.4
81.03445	1.6
83.05016	1.3
85.02956	6.8
87.00866	5.8
93.03458	45.3
95.05041	2.6
105.03441	5.6
106.04245	14.7
107.03521	0.9
107.05059	1.1
108.02162	1.5
109.02962	5.1
111.00890	1.6
111.04530	5.1
121.02953	2.4
124.01627	1.7
125.55045	0.9
127.03987	1.5
132.02141	1.7
133.02960	41.4
134.03743	12.3
135.04524	44.9
136.05301	3.5
137.02443	6.7
138.03195	1.1
139.03998	1.8
145.18568	0.7
150.03214	1.9
151.04010	4.8
151.07655	4.2
155.03503	3.7
160.01556	1.4
161.02437	3.2
172.05222	0.8
173.04549	33.8
177.01903	12.4
178.02699	7.9
179.03523	8.7
191.05612	31.2
191.07330	1.7
198.06982	0.8
209.11836	5.0
210.06924	1.1
211.13461	3.9
215.05588	2.2
255.10219	1.4
257.11816	67.8
283.13428	2.2
307.08273	1.1
308.08969	1.9
309.14941	3.1
322.05270	1.0
327.16006	5.8
337.07492	100.0
351.07126	4.9
352.07867	2.2
353.14011	1.2
371.15628	0.8
420.13409	0.9
581.26630	1.6
773.37665	1.7
791.38904	6.6
817.36603	13.5
835.37671	13.7
991.41547	1.6
1009.42816	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45262	0.6
71.01381	21.8
71.05814	0.6
73.02945	10.5
73.22427	0.6
73.54123	0.6
83.01381	4.4
83.05006	1.0
85.02946	6.8
89.02444	10.6
92.88662	0.7
95.01411	1.3
95.17512	0.6
97.23650	0.6
98.22653	1.2
98.46387	0.6
98.84364	0.7
99.00871	1.3
101.02439	13.5
103.55324	0.7
113.02466	8.9
119.03526	4.1
121.76344	0.6
123.08172	13.8
125.02413	0.9
130.33630	0.6
131.03456	0.9
137.09737	5.1
143.03503	2.4
149.04549	1.9
153.09164	1.0
154.94116	0.6
161.04568	7.9
163.11285	13.2
171.11772	1.1
173.09731	1.3
179.05539	3.8
189.12851	24.0
197.04590	1.4
203.05627	3.0
207.13898	28.7
221.06696	2.0
225.14958	7.8
243.90320	0.8
359.09692	1.0
369.19141	2.1
387.20230	12.7
429.21295	100.0
430.21390	0.8
452.92029	0.8
535.27539	27.2
813.52393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
51.98315	1.9
54.46609	2.1
55.01877	36.9
57.03447	38.0
58.00568	2.2
59.01381	58.4
70.60114	3.5
71.01367	11.2
73.02946	100.0
79.08722	2.3
83.01398	12.9
96.16089	2.0
99.92570	5.7
100.93410	10.2
100.94610	60.7
101.02438	62.7
101.06098	3.0
102.05596	4.9
114.59533	2.3
115.92077	11.6
119.34295	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	101.0244
Annotation	ACETIC ANHYDRIDE
Peak:m/z	Relative Intensity
55.01878	16.9
57.71674	2.6
58.00590	3.9
59.01378	100.0
61.58921	2.8
71.01398	8.3
73.02948	94.1
74.03313	3.4
83.01356	6.1
87.99596	2.5
98.21842	8.4
101.02438	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	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01869	3.8
57.03217	1.8
57.03451	17.0
58.00579	3.6
58.46609	2.2
59.01376	58.3
60.37104	1.9
61.98823	6.4
71.01385	16.9
72.99300	2.0
73.02946	100.0
74.03266	3.3
81.73635	2.1
99.92533	3.1
100.92641	3.6
100.93358	5.5
100.94600	5.6
101.02443	52.4
101.06073	6.0
102.05627	3.5
115.92094	9.1
119.20274	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	1011.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05811	0.2
83.01382	0.3
85.02956	0.1
89.02475	0.2
91.01845	0.2
93.03435	0.7
101.02426	0.1
107.01383	0.8
109.02940	0.3
113.02464	0.3
116.39257	0.1
121.02976	0.3
125.02425	0.2
125.86074	0.1
131.04988	0.2
132.02214	0.4
135.00903	0.5
137.02486	0.1
143.05046	0.4
151.00371	1.2
153.01878	0.3
159.04488	0.4
163.00375	1.1
165.01967	0.3
167.04990	0.3
169.01437	0.2
169.06624	0.3
171.04482	0.3
175.03996	0.2
178.99860	0.2
179.05588	0.2
185.06067	1.1
187.04002	1.3
189.05569	0.6
191.05663	0.3
192.00647	0.2
195.04500	0.3
197.06065	0.6
199.04015	0.6
201.05591	0.2
209.00906	0.1
211.03972	1.2
212.04668	0.3
213.05573	0.9
214.02760	0.2
215.03487	0.2
222.65923	0.2
227.03497	13.0
228.04193	0.2
229.05040	5.7
230.05415	0.2
239.03415	1.0
240.04202	0.5
241.05054	0.8
243.02985	0.2
255.02983	24.8
255.92470	0.1
256.03781	2.0
257.04544	3.7
267.03018	0.6
283.02469	0.3
284.03265	37.6
285.04037	50.8
286.04260	0.4
327.05048	0.7
392.25952	0.2
560.67035	0.2
593.15100	100.0
594.15399	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	102.986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56654	0.9
55.77914	0.7
57.03434	3.1
58.99601	100.0
59.01377	81.9
59.01703	0.8
59.42509	0.7
59.99944	1.4
60.01714	1.0
60.06970	0.6
67.08380	0.8
69.51227	3.1
72.00882	1.1
73.02952	1.2
74.02474	2.6
74.99093	4.1
75.80564	0.7
75.89767	0.9
80.67048	0.7
88.03488	0.7
92.06543	0.7
102.98596	34.8
103.01525	1.1
103.03995	2.1
103.92014	1.7
104.01246	0.7
104.03561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96825	0.6
57.03442	2.9
58.99602	19.1
59.01379	100.0
59.99929	1.0
60.01716	1.9
69.14185	1.5
69.14602	2.4
71.79974	0.6
72.00916	1.8
73.02940	1.2
74.02480	3.9
74.99110	1.0
85.02942	0.8
102.98600	7.1
103.01491	2.9
103.04031	2.5
103.92033	1.0
104.03552	1.9
122.01814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.4
73.02934	0.1
74.06622	0.1
76.74828	0.1
81.03463	0.2
83.05022	0.3
85.02944	6.3
87.00865	1.3
93.03451	2.4
99.04461	0.2
100.04021	0.2
101.02399	0.1
105.44862	0.1
109.02939	0.6
111.04526	0.9
119.03463	0.1
125.02444	0.2
127.04005	1.6
127.62117	0.1
133.02943	0.8
135.04498	0.7
137.02451	0.1
137.11855	0.1
143.03499	0.1
146.06134	0.3
153.01756	0.1
155.03490	0.2
161.02425	1.9
171.03011	0.5
173.04507	1.2
179.03456	0.8
191.05600	100.0
192.05919	0.6
222.39253	0.1
351.07227	0.2
353.08743	22.8
354.09277	0.2
514.17841	0.5
671.23047	0.2
780.65753	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	1025.6385
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	9.2
72.99287	0.3
73.02941	18.0
81.03449	3.4
83.01378	4.5
83.04514	0.4
83.05019	8.5
85.02946	2.1
87.00868	0.2
89.02446	4.0
95.01374	0.8
97.02962	0.3
98.22708	0.3
99.00895	0.2
99.80151	0.2
101.02441	13.6
105.49876	0.2
108.04585	0.3
108.50378	0.2
112.21085	0.2
113.02450	6.4
119.03505	2.0
125.02445	0.3
131.03493	1.4
137.25328	0.2
143.03517	1.5
149.04544	3.6
155.03474	0.7
156.98593	0.2
161.04546	6.0
173.04564	0.2
179.05635	0.3
191.05649	0.4
192.80588	0.2
203.05560	1.1
207.14993	0.5
216.33646	0.2
221.06662	2.3
224.17688	1.3
225.16061	8.9
242.18672	0.4
255.03014	0.3
261.13495	0.3
284.03143	0.4
285.04062	0.5
303.14493	1.6
309.21686	0.4
324.26627	0.2
333.22565	0.3
341.29233	0.6
351.23901	0.3
367.27048	1.2
432.01608	0.2
433.31573	0.7
450.34424	0.9
451.32852	6.6
489.10162	0.8
550.43042	0.8
559.39636	0.4
565.44226	0.3
593.43896	0.7
659.48730	2.2
677.49634	100.0
678.50085	1.4
708.12207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43736	0.2
75.04482	0.2
83.68062	0.1
85.02962	0.4
87.00899	0.2
93.03451	1.4
103.05179	0.2
105.03464	0.2
105.88423	0.2
106.04240	4.8
106.04942	0.3
108.02196	0.6
111.04585	0.2
118.21365	0.2
120.02198	0.3
121.02921	1.4
122.03741	19.1
124.01665	1.1
133.02960	1.2
134.03804	0.3
135.04524	2.1
135.05367	0.2
136.01671	3.3
136.05309	1.1
137.02425	0.4
138.03270	0.2
149.02458	0.4
151.04008	1.0
151.07645	1.6
153.01874	0.2
162.00331	0.2
173.04572	1.2
177.01932	0.2
178.02747	0.2
179.03458	0.5
187.41978	0.2
191.05605	2.3
209.11801	0.2
210.06938	0.4
211.13686	0.2
226.06467	0.3
227.07031	0.2
228.63875	0.2
243.06636	0.5
257.11826	31.0
258.08905	1.2
258.11832	0.3
273.11310	100.0
274.11771	0.8
327.16010	0.3
477.17630	18.6
511.94199	0.2
577.40997	0.2
791.38470	0.3
817.35205	0.3
835.37158	0.9
1009.42749	1.9
1027.43848	1.0
1048.42297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0354
Annotation	D-Serine
Peak:m/z	Relative Intensity
54.01502	0.3
59.01373	1.3
60.52433	0.3
61.72080	0.4
69.58398	1.2
72.00909	41.0
72.99297	2.3
73.01249	1.1
74.02473	100.0
75.00880	1.9
75.02804	1.8
81.59449	0.3
98.85040	0.4
104.03539	30.7
105.01934	5.9
105.03915	1.0
108.54721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	1.1
79.71719	0.3
80.02675	0.4
81.03452	1.2
81.72130	0.4
83.05010	1.4
85.02947	17.1
87.00877	4.0
89.02438	0.9
93.03449	8.8
95.01374	0.9
96.96002	0.4
101.02441	1.1
109.02966	2.3
111.04506	2.8
113.02441	0.5
127.04012	3.8
133.02925	1.3
135.04538	0.9
137.02415	1.0
155.03487	0.6
158.03749	0.6
159.04501	2.0
160.05232	1.0
163.11317	0.7
171.02991	1.2
171.04446	0.4
172.05302	7.0
173.04526	4.8
173.06030	2.0
174.03189	0.6
174.06699	0.4
183.04443	0.9
184.05167	0.5
185.06084	0.8
186.06821	1.1
187.03976	1.2
187.07831	0.4
191.05602	100.0
192.05920	0.5
197.06059	0.6
198.06909	0.5
199.03995	4.9
200.04729	2.6
201.05518	1.4
202.06396	2.3
205.12361	0.6
209.11810	7.6
211.03979	1.2
211.07642	0.5
213.05551	0.7
214.06233	0.6
227.01222	0.8
227.03487	15.7
228.04286	8.1
229.01422	0.5
237.16414	0.4
255.13860	0.9
257.15448	0.7
260.73975	0.4
267.13818	0.7
281.15384	1.0
283.13382	38.4
299.16586	0.7
301.14410	7.6
309.14954	8.6
311.12918	5.7
311.16260	0.8
325.14438	2.1
327.12286	3.0
327.15973	8.2
329.13907	2.0
343.15387	0.7
345.13220	0.5
345.16913	1.1
353.13910	17.5
371.14932	5.1
409.15176	0.4
445.18542	0.4
471.36377	0.5
497.16080	0.4
530.74866	0.4
563.23389	0.5
565.22522	0.5
581.25970	0.8
607.23999	2.6
773.33948	3.2
775.35236	1.4
789.36346	0.6
791.38660	4.0
817.36499	58.4
818.36188	0.6
835.37512	10.5
849.39160	18.2
849.55762	0.9
867.40393	5.8
928.42157	0.5
1009.42944	14.0
1023.44098	1.0
1041.45410	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	1041.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	0.5
75.11327	0.5
77.03979	0.7
79.95738	3.7
81.03459	1.8
83.05023	2.0
85.02954	8.2
87.00872	8.1
89.03963	0.8
93.03456	69.1
95.01389	0.5
95.05031	1.8
99.00925	0.6
99.04526	0.7
105.03463	6.1
105.49280	0.5
106.04250	2.7
107.05051	0.7
108.02160	2.6
109.02935	5.1
111.00858	0.9
111.04513	8.7
121.02951	2.8
122.03750	0.7
123.04529	1.2
124.01662	2.1
125.02458	1.2
126.03251	0.8
127.04010	2.3
129.01947	1.4
132.02176	2.6
133.01921	1.1
133.02956	48.0
134.03740	14.8
135.04523	59.9
136.05319	4.1
137.02441	7.7
139.03983	1.7
149.02429	1.4
150.03244	2.6
151.04033	4.6
155.03526	4.1
160.01631	1.7
161.02454	7.0
162.03214	1.2
163.11363	0.6
171.02942	0.7
172.05534	0.7
173.04544	40.5
174.03171	0.5
177.01926	16.1
178.02711	9.6
179.03496	11.7
184.27100	0.6
187.03986	0.6
191.05603	63.3
197.06082	0.6
209.11830	5.1
211.13403	2.7
215.05603	4.3
227.03374	0.7
227.12762	0.5
257.11826	12.1
283.13345	1.0
299.16602	1.0
301.14676	0.6
307.08264	1.0
308.09006	1.5
309.14935	3.4
325.14328	0.6
327.16049	6.5
337.07526	18.2
345.17044	0.6
351.07162	7.5
352.07953	2.3
353.13940	2.5
376.97122	0.5
445.21216	0.6
706.88165	0.5
762.86517	0.5
769.12488	0.5
773.37689	1.4
790.79565	0.6
791.38531	8.0
817.36499	12.3
817.51935	0.7
835.37689	8.8
849.38947	6.7
867.40240	5.4
991.41644	0.9
1009.42804	34.1
1023.42468	0.6
1041.45496	100.0
1042.46411	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	1049.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02965	0.1
85.87461	0.1
89.02443	0.8
90.22995	0.1
93.03459	0.2
99.00876	0.1
101.02429	0.2
106.04244	24.1
108.02171	0.2
112.65434	0.1
113.02415	0.1
125.02436	0.6
131.03481	0.1
138.03238	1.6
141.96220	0.1
146.07394	0.3
149.04556	0.3
150.03223	2.8
159.19832	0.1
161.09720	43.3
162.10069	0.1
166.67558	0.1
182.02205	0.9
191.05577	0.3
205.08687	100.0
206.09070	0.5
233.06627	0.4
255.06563	0.1
293.08783	5.3
430.69974	0.1
499.18201	18.8
500.18594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02953	0.2
83.01385	0.7
85.02950	0.5
89.02451	0.4
91.01900	0.2
92.17676	0.2
93.03464	0.3
98.00083	0.2
98.22650	0.3
101.02409	0.9
107.01392	1.8
108.02176	0.7
109.02956	1.0
113.02452	4.1
119.01387	0.3
119.03456	0.2
121.02975	1.1
123.08181	0.6
124.01702	0.2
125.02416	0.2
135.00883	0.3
137.02426	0.2
145.02963	0.2
148.01649	0.8
151.00374	7.3
152.00946	0.2
153.56468	0.2
159.02899	0.2
161.04581	1.3
161.09648	0.3
163.00363	1.8
163.11308	0.5
164.01083	0.4
165.01965	0.2
169.01398	0.3
178.99873	3.5
179.05618	0.5
183.04514	0.3
187.03941	0.5
188.13963	0.2
189.12837	0.9
189.74843	0.2
190.99881	0.3
191.05698	0.3
192.00574	0.2
198.03357	0.2
199.03986	0.7
201.01811	0.2
201.05688	0.3
205.08742	0.4
207.13846	0.9
211.03976	1.0
215.03545	0.3
216.04233	0.4
225.14978	0.4
226.02664	0.9
227.03499	1.9
228.04245	0.2
229.05014	0.6
239.03400	0.3
243.02965	6.6
244.03645	0.4
245.04587	0.7
254.02190	1.1
255.02979	18.7
256.03397	0.6
266.02328	0.2
271.02475	37.4
272.03040	1.8
273.03851	0.7
283.02573	1.1
296.03030	0.2
297.03891	0.5
299.02017	0.9
300.02737	72.9
301.03503	25.1
302.03662	0.8
303.04071	0.3
341.02927	0.6
342.03116	0.5
343.04288	0.2
347.17096	0.2
349.08578	0.2
387.20178	2.6
433.24417	0.2
434.10941	0.2
455.22986	0.2
463.08865	1.8
501.23477	2.0
503.08432	0.9
504.08508	1.0
505.09875	100.0
506.10242	3.0
507.10501	1.8
516.60468	0.2
938.72461	0.2
1038.01160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02941	0.8
75.00867	7.8
81.03452	0.6
83.01376	0.8
83.05007	0.3
84.02143	0.1
85.02946	8.8
87.00879	2.4
89.02432	1.5
91.03993	0.4
93.03472	0.9
95.01387	3.1
97.02937	0.2
99.00875	4.9
101.02420	0.2
103.00349	1.0
109.02927	0.4
111.00883	0.4
111.04485	0.4
112.01634	0.2
113.02445	10.3
115.00375	0.8
115.04026	0.3
117.01940	1.7
121.02949	43.6
125.02423	0.2
129.01904	0.8
139.91701	0.1
155.94148	0.2
157.01424	0.3
175.02480	1.4
189.04008	0.8
191.05637	0.2
216.35413	0.2
231.05074	3.1
249.06129	31.4
311.07663	0.3
351.55292	0.2
353.08728	0.9
371.09781	100.0
372.10059	0.7
628.78925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02944	5.0
83.01395	2.4
85.02946	7.2
87.00875	0.8
89.02444	5.9
95.01379	1.2
97.02952	1.5
99.00884	2.0
101.02436	14.9
106.04272	1.3
107.05025	100.0
108.05350	1.4
113.02436	6.5
118.24826	0.6
119.03483	4.3
125.02430	3.2
131.03539	0.8
143.03494	2.1
149.04546	0.8
159.02992	0.8
161.04559	5.1
167.03445	0.9
173.04619	0.8
179.05606	4.0
191.05658	1.4
221.06595	3.2
225.05634	0.9
239.07129	1.7
246.07658	0.8
255.10204	6.8
263.07852	0.7
273.11310	68.9
274.11533	0.8
315.66193	0.7
323.09769	16.4
355.21378	1.3
373.22318	12.8
407.11398	0.7
415.23355	28.3
472.71158	0.7
597.22174	1.5
976.65448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02941	0.2
89.65630	0.1
93.03493	0.1
101.02430	0.4
104.05058	0.1
104.58923	0.1
113.02465	0.3
118.03009	0.2
131.03767	1.4
141.65134	0.1
144.04552	5.0
145.05351	0.2
146.06114	100.0
147.06471	0.4
159.02980	0.1
161.04567	0.8
177.04311	0.1
188.03542	0.2
190.05092	14.9
191.05542	0.1
297.91711	0.1
308.11371	1.4
352.10355	47.5
353.10672	0.2
376.96152	0.1
484.58636	0.1
578.32703	0.1
708.20087	0.1
956.72791	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	107.0503
Annotation	o-Cresol
Peak:m/z	Relative Intensity
66.90237	0.7
68.20121	0.7
68.35790	0.6
84.46515	0.8
98.22793	1.3
106.04246	2.0
107.05032	100.0
108.04678	1.0
108.05355	4.8
124.67432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0218
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
54.36115	2.1
58.22260	1.9
59.00939	2.4
77.04762	2.1
80.02666	5.7
81.03461	3.4
90.94434	2.3
107.03765	8.3
108.02174	100.0
108.04557	64.3
108.05322	2.1
109.02967	59.3
109.04084	3.7
112.13435	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	1085.371
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	3.5
84.01508	0.3
85.02949	7.9
87.00857	1.7
89.02442	16.1
93.18352	0.3
95.01376	2.5
96.81216	0.3
97.02923	0.4
99.00884	0.4
101.02441	15.9
107.01402	2.8
108.02179	1.4
109.02950	1.3
109.63876	0.3
113.02448	18.0
119.01524	0.3
119.03509	6.5
119.45465	0.3
121.02965	1.1
125.02430	1.1
131.03450	1.5
135.00880	0.9
143.03482	2.7
148.01656	1.7
149.04514	1.8
151.00363	10.6
159.04509	0.4
161.04552	5.5
161.05896	0.6
163.00372	3.0
163.03975	0.5
164.01140	0.7
169.01378	0.4
175.03928	0.5
178.99843	5.2
179.05591	6.5
179.07123	0.5
181.97917	0.3
183.04478	0.4
187.03964	0.6
191.05519	0.6
192.00659	0.6
199.03946	0.5
209.90332	0.3
211.03972	1.1
212.47270	0.3
215.03461	0.4
216.04289	0.4
226.02727	1.8
227.03508	3.0
229.05132	0.5
239.03481	0.6
243.01093	0.2
243.02974	10.2
245.04509	1.9
254.02251	2.6
255.02968	27.4
257.04654	0.4
271.02466	60.0
272.03152	2.1
273.04001	1.0
283.02383	1.3
299.01971	1.5
300.02731	100.0
301.03503	42.2
302.03741	0.4
343.04388	0.5
355.21344	0.8
455.62393	0.3
463.08807	96.5
464.09055	0.8
517.26501	84.9
518.26904	1.2
535.27557	43.9
536.28619	0.3
577.28613	89.0
578.29156	1.0
584.04498	0.3
871.15106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.398
Annotation	Unknow
Peak:m/z	Relative Intensity
77.48578	0.1
79.05536	0.1
83.01392	0.1
85.02950	0.5
87.00912	0.1
89.02455	0.4
93.03431	0.1
95.01402	0.2
97.02969	0.1
99.00883	0.1
101.02438	0.9
106.04251	2.7
107.05029	100.0
108.05315	0.4
113.02465	0.6
119.03497	0.1
121.02961	0.1
122.03687	0.1
131.03525	0.1
136.05290	0.2
138.03218	0.2
139.04002	0.1
143.03506	0.3
149.02425	0.1
151.03984	0.2
151.07619	0.5
159.02988	0.1
161.04539	0.7
173.04564	0.1
179.05649	0.2
181.06645	0.1
191.05682	0.1
210.06943	0.1
221.06641	0.2
224.04753	0.1
225.05568	1.8
239.07118	1.3
239.09448	0.1
240.07893	0.6
255.10252	7.2
256.07529	0.1
256.10684	0.1
257.11826	9.7
271.09882	0.3
272.10095	0.1
273.11313	64.4
274.11676	0.4
323.09760	0.3
340.34680	0.1
419.17328	0.7
581.22388	9.3
582.22870	0.1
680.09589	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01868	3.9
62.09615	1.8
67.01890	69.7
68.02183	2.3
69.15751	4.4
69.16154	7.5
78.95900	42.5
83.01369	11.3
98.21892	4.5
111.00883	100.0
111.02010	4.0
112.01260	3.9
112.04038	7.3
125.77487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.0
67.01889	70.9
68.02197	1.3
69.53551	6.3
78.95903	62.3
79.84917	1.3
83.01383	13.5
102.35587	1.3
111.00880	100.0
111.02061	4.6
111.04517	3.3
112.01214	4.5
112.04039	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	1129.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	0.4
93.03443	0.3
96.90276	0.1
99.90194	0.1
107.01392	1.4
108.02180	0.5
109.02980	0.7
113.02441	0.1
120.02149	0.1
121.02929	1.0
124.01635	0.2
125.02456	0.2
135.00891	0.4
136.92032	0.1
139.03906	0.1
148.01665	0.5
149.02425	0.3
149.68379	0.1
151.00365	5.8
153.01910	0.1
153.23802	0.1
158.08290	0.1
161.02444	0.1
163.00362	1.3
164.01207	0.3
165.01984	0.2
169.01421	0.3
171.04599	0.2
173.66296	0.1
173.75732	0.1
175.03952	0.1
178.99864	2.7
183.04539	0.2
187.03960	0.3
190.99893	0.4
191.05385	0.1
192.00652	0.2
193.01302	0.2
199.04010	0.3
201.05606	0.2
202.28374	0.1
203.03542	0.2
211.04004	0.6
215.03481	0.3
216.04254	0.2
218.73723	0.1
226.02754	0.8
227.03490	1.7
228.92818	0.1
229.05070	0.3
239.03468	0.3
242.01981	0.2
243.02966	4.4
244.03571	0.2
245.04584	0.5
247.75429	0.1
254.02170	1.2
255.02972	14.7
256.03607	0.3
257.04504	0.2
271.02463	30.2
272.03238	1.0
273.04019	0.8
283.02591	0.5
284.03171	0.2
285.04077	0.3
299.01950	1.0
300.02734	57.3
301.03510	21.9
343.04688	0.6
489.14194	0.1
607.13025	0.2
608.13721	0.2
609.14539	100.0
610.14746	0.9
611.15198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07152	23.8
69.03453	75.3
69.10242	46.5
69.10647	100.0
85.02940	51.4
91.05238	23.2
98.22666	47.3
114.05597	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	113.0245
Annotation	19322-27-1
Peak:m/z	Relative Intensity
50.11674	1.2
54.92043	1.3
55.01873	9.7
57.03447	27.8
61.29749	1.2
67.01889	4.2
68.99557	3.8
69.03463	8.0
69.99257	3.8
71.01366	4.2
83.01385	7.8
84.02174	17.8
85.02948	100.0
86.03282	3.9
95.01390	3.7
113.02444	18.7
114.01987	2.3
114.02763	1.7
114.05573	2.5
134.69217	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	113.0245
Annotation	Methylsuccinic anhydride
Peak:m/z	Relative Intensity
50.57911	2.8
50.89755	2.6
51.02370	4.5
52.69474	2.4
61.22702	2.4
67.01904	13.3
69.03456	100.0
69.23992	14.4
70.03786	4.9
71.01377	9.6
85.02957	5.9
98.00094	6.7
113.02458	17.9
121.68080	3.2
132.33594	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	113.0244
Annotation	Methylsuccinic anhydride
Peak:m/z	Relative Intensity
51.02369	4.5
52.78907	1.5
59.99504	1.3
60.20453	1.4
67.01888	15.8
68.99542	1.6
69.03448	100.0
69.24916	5.4
70.03773	2.3
71.01374	6.2
85.02944	4.8
98.00089	6.5
109.04799	1.5
113.02436	13.4
114.05598	4.5
118.72166	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	115.0038
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
58.00557	0.9
59.01379	1.0
69.03445	1.9
71.01377	100.0
71.05019	12.3
71.25848	1.1
72.01710	2.6
73.04068	4.0
87.04539	2.1
89.01427	1.7
97.02951	1.4
97.93113	3.6
99.14919	0.9
99.92580	1.4
114.93401	10.7
115.00340	6.5
115.04002	14.5
115.07635	2.8
116.02542	8.8
116.07188	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	115.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31340	4.3
57.08427	3.3
60.01186	3.3
67.30632	3.3
67.40038	3.3
70.53719	7.2
71.01373	100.0
73.81944	3.3
76.20300	4.3
115.00370	13.2
116.07130	6.4
125.19928	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
54.13123	2.7
70.51728	4.6
71.01378	100.0
72.89240	2.6
104.46277	2.4
115.00380	14.1
116.07165	6.1
116.26385	2.7
123.64068	2.9
132.27727	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00557	0.9
59.01379	1.0
69.03445	1.9
71.01377	100.0
71.05019	12.3
71.25848	1.1
72.01710	2.6
73.04068	4.0
87.04539	2.1
89.01427	1.7
97.02951	1.4
97.93113	3.6
99.14919	0.9
99.92580	1.4
114.93401	10.7
115.00340	6.5
115.04002	14.5
115.07635	2.8
116.02542	8.8
116.07188	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	115.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25197	8.8
61.10683	12.8
69.03497	9.5
69.12682	59.9
71.05019	46.8
71.65321	10.2
72.29023	10.6
78.36391	9.6
80.91596	8.4
87.04499	11.8
91.56814	9.0
98.22603	22.9
114.84789	10.1
115.04012	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	115.0401
Annotation	LEVULINIC ACID
Peak:m/z	Relative Intensity
71.01384	31.7
71.05019	16.6
75.23267	3.6
85.87357	3.7
87.04522	5.2
115.04010	42.2
116.07176	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	115.0401
Annotation	3-Methyl-2-oxobutanoic acid
Peak:m/z	Relative Intensity
57.43079	7.0
68.05348	7.0
69.86998	21.7
71.01369	8.8
71.05016	51.6
87.04491	13.1
92.22810	6.4
115.04013	100.0
116.04192	6.5
116.07162	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.3724
Annotation	Maltoheptaose
Peak:m/z	Relative Intensity
83.01383	1.9
85.02950	8.9
87.00880	2.7
89.02444	32.0
95.01367	2.4
96.96005	0.9
97.02963	1.2
99.00883	1.6
101.02445	27.3
111.00897	2.7
113.02449	21.7
113.03248	1.1
115.03992	3.7
119.03506	3.2
125.02445	1.8
129.01956	1.2
131.03522	3.3
139.03996	0.5
141.01927	1.3
143.03500	4.8
149.04552	1.8
155.03439	0.9
159.02998	5.7
160.03354	0.9
161.03400	0.4
161.04562	7.4
167.03459	0.8
179.05600	21.5
203.05586	1.5
207.67990	0.5
233.06609	1.1
235.08215	0.6
313.97638	0.4
323.09808	2.6
341.10889	5.2
354.58209	0.5
372.10306	0.4
485.15186	1.2
503.15692	0.6
505.44479	0.5
647.20746	1.5
665.21576	1.3
809.25836	1.4
827.27081	1.9
971.30792	6.9
989.31610	1.7
990.32739	1.4
991.32483	1.3
1151.37256	100.0
1152.37952	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	116.0507
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
55.34951	0.5
59.01369	2.2
59.20793	0.6
69.98757	0.7
69.99084	1.0
71.05020	1.7
71.76491	0.5
73.02942	5.3
74.02474	0.7
75.00867	1.0
89.01466	1.0
96.13762	0.5
98.22681	0.6
99.00883	0.8
99.92586	20.5
113.03709	0.6
116.02583	3.2
116.05066	100.0
116.07177	15.4
116.92863	60.6
117.05430	7.4
117.07562	0.6
118.17603	0.5
125.32767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0717
Annotation	L-Valine
Peak:m/z	Relative Intensity
69.28716	5.0
73.02944	15.9
84.84847	0.8
99.92582	1.9
99.94402	1.0
116.07174	100.0
116.92870	7.1
117.01934	2.8
117.07533	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	1167.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03475	1.0
83.01388	3.5
89.03976	1.2
91.01926	0.6
93.03412	0.9
95.01395	0.7
95.05027	0.7
97.02964	1.9
102.70829	0.5
107.05011	1.7
108.02168	0.8
109.02940	5.1
117.03404	0.7
120.02197	0.8
121.02961	1.8
121.06593	0.9
122.03674	0.9
123.00919	0.7
123.04506	1.9
125.02441	100.0
131.05002	1.9
132.02130	0.7
133.02939	7.7
135.00928	0.9
135.04512	1.6
137.02444	8.7
144.11009	0.6
145.02954	0.8
146.03841	0.7
147.04459	1.2
148.01633	0.7
149.02440	2.7
150.03229	0.7
151.04007	10.3
155.05113	0.7
159.04539	1.5
160.01727	0.7
161.02434	34.0
162.03215	1.5
163.00417	3.1
163.03976	3.1
164.01125	7.3
164.02119	0.6
165.01929	5.1
171.04430	0.7
173.02420	0.6
173.06026	1.3
174.03226	1.3
175.04004	16.8
176.01125	1.6
177.01906	12.0
177.05495	1.6
187.04007	3.1
189.01959	1.2
191.03459	1.2
193.05054	1.4
199.03989	6.1
201.01965	1.2
201.05542	1.5
203.03354	2.9
203.07181	0.6
205.01361	0.8
205.05058	1.5
211.03987	1.6
213.05713	0.8
215.03500	1.6
217.01375	0.8
217.05043	7.7
219.02960	3.4
219.06345	1.1
225.05557	1.1
226.02783	0.7
227.03456	2.6
228.04228	0.7
229.05103	1.8
231.03017	0.8
232.03761	0.7
238.06003	0.6
239.03491	1.0
241.05083	1.2
243.02950	22.8
243.06653	1.0
244.03581	0.6
245.04539	9.7
245.08116	0.6
253.05139	1.4
255.03009	6.2
256.03693	3.1
257.04617	1.4
261.04004	8.0
267.02991	1.0
269.04514	4.2
273.04083	1.7
281.04575	1.2
282.01685	1.2
283.02524	1.4
285.04053	2.3
287.05594	41.9
289.07178	2.4
293.04620	1.0
295.02618	1.1
296.03436	0.7
297.04099	0.7
299.05588	1.6
300.83057	0.6
303.08694	4.3
327.05090	0.9
329.06750	1.4
337.07352	1.2
347.05673	0.9
353.10266	1.6
355.08469	0.9
363.05249	0.9
381.05804	0.8
387.04999	0.8
394.34705	0.7
405.06000	5.1
407.07684	3.1
413.08798	12.9
421.09250	2.5
423.07184	10.1
425.08786	1.4
439.10495	7.2
449.08710	10.1
449.14600	0.8
463.10324	0.9
465.11987	1.9
531.09180	1.0
533.11176	1.6
549.10553	1.8
557.11053	1.7
575.11902	20.0
577.13599	2.0
583.12415	0.8
585.51007	0.8
589.13428	1.5
591.14935	8.8
601.13885	2.2
693.12872	2.2
701.15094	4.1
709.15973	4.2
711.14264	1.2
727.16748	4.0
737.15820	1.4
740.13837	1.0
753.18103	3.9
827.17017	1.2
845.17432	1.7
863.18518	4.0
871.19208	1.4
879.21259	6.0
979.21088	0.7
997.21716	3.9
1015.23175	2.2
1041.25452	1.4
1167.27075	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	1178.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
82.03001	0.4
83.01385	1.6
83.05030	2.2
84.02145	0.4
85.02937	4.3
87.00870	0.9
89.02425	0.9
90.86323	0.3
93.03448	11.6
95.01364	0.6
95.05009	0.4
97.02939	1.2
99.00871	0.9
101.02430	4.8
106.52547	0.3
110.02477	10.9
111.49546	0.3
113.02451	4.7
114.68824	0.3
119.05032	0.7
121.02975	0.7
124.04032	1.3
125.02445	0.9
125.06109	0.3
127.04012	0.4
127.69449	0.3
128.10199	0.3
132.50105	0.3
135.04614	0.4
135.08191	0.8
143.03471	1.1
145.02930	0.7
145.05081	0.8
150.03209	0.3
158.23907	0.3
159.03027	0.7
159.04494	1.4
161.04547	5.8
163.11279	3.3
165.12822	1.6
167.05104	0.4
169.06564	1.6
170.04582	0.4
171.10248	0.7
179.05605	0.3
181.12227	0.5
188.05692	1.6
191.05620	0.5
191.10677	0.6
203.05595	14.0
208.00346	0.4
209.11816	100.0
210.12276	0.3
211.07626	1.0
213.05626	1.5
223.06296	4.6
225.09181	0.4
227.07126	17.7
227.12880	13.5
230.06679	55.9
231.06696	0.3
232.07692	0.3
235.08221	2.2
239.07126	17.4
247.13510	0.4
250.06134	0.6
250.08702	8.4
251.07066	0.4
253.09248	4.7
267.06616	1.9
278.08063	2.1
281.03253	0.3
281.08163	4.9
323.09232	0.5
341.10080	0.5
363.08911	0.3
368.11334	14.4
386.12500	1.5
427.19577	0.6
428.07651	0.6
428.13446	9.5
445.20749	4.9
463.21436	0.8
522.72424	0.4
606.74438	0.3
637.32629	1.9
655.33594	0.8
673.33356	0.4
761.50439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.9
85.02946	3.3
87.00861	0.9
89.02447	2.8
89.02945	0.2
93.03471	0.5
95.01392	0.9
97.02947	0.8
99.00880	0.9
101.02441	7.2
106.04243	11.1
113.02450	5.4
119.03513	0.8
121.02956	0.5
125.02442	0.4
131.03506	1.0
136.05266	0.8
137.02348	0.1
137.06137	0.2
138.03226	0.6
143.03528	1.1
149.02393	0.3
151.04033	0.8
151.07657	2.9
159.02959	0.5
161.04556	3.2
179.05623	0.4
191.05559	0.2
195.06514	0.2
204.44478	0.1
210.06883	1.0
211.36740	0.2
221.06606	1.4
225.05209	0.1
255.10193	0.7
257.11823	80.1
258.12180	0.4
291.87735	0.1
323.09772	1.0
419.17154	2.6
441.24924	0.4
580.21320	0.2
581.22363	100.0
582.22821	0.6
685.81940	0.1
695.25549	6.6
733.20544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0349
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
55.01859	2.0
59.01378	100.0
65.68299	2.2
66.03510	2.0
69.17352	8.3
69.17766	2.9
71.01378	11.3
72.99306	2.7
78.47418	2.4
78.58469	2.0
92.91354	2.0
101.02470	2.7
106.76059	2.0
118.33590	1.9
118.92625	3.1
119.02505	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	121.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15789	1.4
62.12714	1.4
71.03518	2.6
93.03459	4.0
94.02999	6.0
100.48760	1.5
120.02145	1.9
121.02950	100.0
122.02470	10.1
122.03305	7.5
124.87685	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.24392	2.4
60.30185	2.3
64.62395	2.2
69.12209	13.8
94.02961	4.6
99.35002	2.2
113.49902	2.0
121.02953	100.0
122.02496	4.8
122.03295	4.6
137.71814	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	121.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76033	1.8
61.88095	1.9
66.03492	2.3
69.27494	10.3
70.99883	1.8
93.03439	2.0
94.02979	9.7
121.02955	100.0
122.02463	9.7
122.03316	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.54031	3.9
65.02627	3.7
67.26284	3.5
69.37173	17.4
98.22705	6.2
121.02958	100.0
122.03290	7.6
128.48550	4.3
135.18224	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	123.0452
Annotation	Orcinol
Peak:m/z	Relative Intensity
66.03483	22.3
67.01888	3.7
68.99816	7.3
69.48420	8.2
70.20069	1.9
78.03481	2.8
79.05531	43.0
79.95750	1.8
80.05058	9.3
81.03461	39.0
82.02984	2.8
86.24461	2.2
94.02991	61.8
94.98115	2.1
95.01389	100.0
95.05069	2.9
96.04539	10.8
100.07230	1.8
102.21462	1.9
108.02172	6.9
109.01672	2.1
122.99979	3.0
123.00895	57.5
123.01913	3.5
123.02802	3.5
123.03607	4.7
123.04525	95.5
123.05512	4.2
124.01656	2.0
124.04055	42.1
124.04879	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	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
55.01870	7.9
59.01368	16.4
70.46545	6.3
71.01375	11.1
71.43317	6.3
83.01375	12.9
86.02468	7.2
126.90449	79.7
127.00366	17.8
127.04008	10.5
127.07667	100.0
128.03526	48.8
128.07169	14.7
128.08022	9.1
147.90439	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	128.0353
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
53.92603	0.9
57.29259	1.0
68.10868	0.9
69.12283	5.5
70.52952	0.9
70.96066	0.8
73.98468	0.9
75.49857	0.9
80.52316	0.9
80.61961	0.9
82.02959	2.1
85.02950	33.5
85.03468	1.7
117.35841	0.9
128.03537	100.0
128.07138	5.0
129.01959	1.8
129.03880	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	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56998	0.8
55.01879	2.1
55.04930	1.0
56.83800	0.9
57.03440	5.1
59.01352	1.2
67.01887	2.9
69.15675	5.5
71.01398	2.1
73.02959	1.0
82.02982	2.5
84.04558	1.6
85.02945	18.0
101.02421	1.2
117.97776	0.9
128.03535	100.0
128.07175	40.7
128.08134	2.0
129.01932	2.6
129.03859	3.5
129.05548	1.2
129.07565	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	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	1.0
70.82594	1.9
71.01237	0.8
78.82181	0.9
82.02987	2.6
84.04571	1.4
85.02927	1.1
128.03540	100.0
129.03886	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	130.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84893	0.8
58.02961	3.0
69.03460	0.8
70.02966	14.3
70.16941	1.4
70.17297	0.6
71.01383	0.8
71.02496	3.4
72.00896	5.6
73.02926	1.3
74.87344	1.0
86.02448	0.9
87.04498	10.2
88.04025	9.0
95.02505	6.8
98.21913	0.9
105.32633	0.8
111.01981	1.2
112.04031	2.1
113.03568	17.3
113.29607	0.8
114.01955	21.1
114.02705	1.5
130.08727	100.0
131.03558	1.3
131.04610	3.1
131.08226	1.0
131.09096	4.4
132.19016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30426	1.2
52.48489	1.1
55.37028	1.2
56.18531	1.4
57.02208	1.2
68.32687	1.2
69.64772	4.7
75.48268	1.4
84.08208	1.4
87.04522	7.8
98.21901	1.7
126.33385	1.5
130.08737	100.0
131.03531	1.6
131.08215	1.8
131.09087	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	131.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67213	0.6
65.56820	0.5
69.03457	1.3
70.03599	0.8
74.87469	0.5
87.04511	100.0
88.04848	2.1
113.02451	5.7
131.03508	16.3
131.09134	0.7
132.03835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30926	0.5
61.95569	0.6
69.03443	1.9
87.04513	100.0
88.04857	2.4
113.02435	5.6
124.18764	0.5
131.03502	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70847	0.4
63.16433	0.5
66.03696	0.4
69.03455	1.8
70.32932	0.7
76.18244	0.5
87.04510	100.0
88.04839	3.7
113.02438	5.6
114.02785	0.5
131.03505	19.4
135.15063	0.4
139.29498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
66.04556	0.5
69.03451	1.4
70.49987	0.9
73.02934	1.6
87.04507	100.0
88.04840	4.2
90.22345	0.5
113.02442	6.4
113.03604	0.8
114.01971	1.2
114.57313	0.6
131.03497	19.7
131.08261	4.0
131.09041	1.2
132.03836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0351
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
69.03448	1.3
70.02960	1.2
71.19926	0.6
73.02952	0.9
87.04511	100.0
88.04845	4.0
113.02454	5.5
113.03605	0.9
114.01953	1.8
131.03505	15.4
132.03821	0.8
134.27878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	2-Acetolactate
Peak:m/z	Relative Intensity
54.19518	5.9
57.03449	30.7
58.84561	5.9
59.01379	73.0
61.39827	5.3
68.46210	5.7
68.99829	8.3
71.01382	41.4
71.40572	9.2
73.02950	100.0
75.00857	45.2
85.02951	59.0
87.04497	32.9
101.02457	12.9
113.02446	24.8
131.03487	10.8
146.65106	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	131.0714
Annotation	(S)-(-)-2-Hydroxyisocaproic acid 
Peak:m/z	Relative Intensity
69.03455	10.7
69.66441	1.2
73.02951	0.9
83.05006	0.7
85.06586	100.0
86.06932	3.3
87.04499	1.3
110.48099	0.8
113.06098	2.7
122.67836	0.8
129.05511	1.7
131.07138	51.5
131.43259	0.8
132.07458	2.1
133.17607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	DMHB
Peak:m/z	Relative Intensity
52.03189	0.9
57.03437	1.6
59.01366	3.1
64.98520	0.9
68.99805	3.0
69.03446	2.1
71.01370	1.7
73.02941	12.3
78.44870	1.0
79.31709	1.0
83.05042	1.5
85.02951	2.8
85.06588	100.0
86.06922	3.7
87.04515	73.9
88.04862	1.9
113.02448	5.0
113.06071	1.8
129.05560	1.8
131.03505	12.0
131.07141	56.9
132.07439	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	132.0304
Annotation	Aspartate
Peak:m/z	Relative Intensity
56.68512	0.1
59.01376	1.2
70.02943	0.1
70.04620	0.1
70.04947	0.1
71.01379	65.4
72.00900	0.2
72.99306	14.5
87.00867	1.4
88.04037	5.4
89.02444	7.4
96.02897	0.1
114.01974	0.3
114.03880	0.1
115.00372	100.0
132.03032	1.7
133.01431	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.05089	0.4
55.08557	0.4
58.76033	0.5
59.01377	1.1
69.59759	1.0
69.60148	0.9
71.01380	65.2
72.01722	1.8
72.66589	0.4
72.99309	13.7
87.00890	1.6
89.02444	7.6
89.02959	0.8
115.00374	100.0
116.00713	3.5
133.01431	23.6
133.05058	0.5
134.01746	1.0
147.26665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97502	2.1
71.01376	66.3
72.01701	1.7
72.99306	16.9
87.00876	1.2
89.02448	6.9
98.21908	1.0
115.00368	100.0
116.00705	3.6
133.01425	25.7
133.05095	1.5
134.01813	1.0
150.47664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64384	0.8
62.42794	0.9
71.01379	65.9
72.01707	1.5
72.99311	16.1
87.00868	1.3
89.02448	8.3
112.79249	0.9
115.00373	100.0
116.00699	4.0
124.49298	0.9
133.01431	24.9
134.01767	1.9
149.79831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25288	8.7
106.04279	6.1
107.05034	4.4
120.34589	3.8
134.03767	100.0
134.04701	7.8
134.89484	48.8
135.04564	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	134.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01324	0.3
65.01428	1.2
68.02539	0.4
71.01373	2.3
72.01711	4.3
72.99305	0.4
73.99638	0.7
75.00871	1.4
91.05498	0.3
92.02533	6.3
93.02879	0.5
93.03445	0.4
99.92566	0.7
106.04202	0.5
107.03627	27.6
107.04961	1.9
108.03292	0.5
108.03963	0.8
108.27985	0.4
115.00335	0.4
116.00705	9.1
117.00792	1.0
123.34198	0.3
128.89565	0.4
134.01868	1.9
134.04715	100.0
134.86578	0.4
134.89464	13.9
135.01994	0.5
135.02977	0.6
135.03372	0.5
135.04390	7.8
137.83769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01465	0.9
68.02538	0.6
69.20818	2.7
72.19108	0.5
80.02513	0.6
83.45573	0.5
92.02544	5.8
107.03631	26.6
108.03939	0.6
116.00713	1.0
134.04723	100.0
134.89485	4.4
135.05051	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	136.0166
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
65.03971	1.2
68.99796	0.9
69.03438	1.4
69.52332	2.3
79.75405	1.2
81.03451	1.1
83.01383	1.4
91.18547	1.2
92.02677	5.8
92.05050	6.0
93.03453	100.0
94.02967	1.3
95.01393	6.2
98.22641	2.1
99.92576	2.1
102.70699	1.0
106.04228	2.7
108.02177	64.3
108.04546	1.9
109.02398	1.3
109.03037	2.3
119.05021	3.0
123.00876	1.3
129.58867	1.1
135.89487	13.1
136.01654	75.6
136.03975	4.8
136.04877	4.1
136.86272	4.7
136.89177	20.0
137.02463	52.3
137.03471	2.5
137.06059	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	137.0244
Annotation	Sesamol
Peak:m/z	Relative Intensity
59.54683	0.7
63.92521	0.7
64.19765	0.7
65.03953	1.4
69.03073	1.2
69.03454	24.2
70.03795	0.8
71.05831	1.3
83.01382	76.2
83.67701	0.8
84.01706	2.4
93.03453	26.2
93.44815	0.8
94.03789	1.8
95.01410	1.2
109.02951	30.9
110.03272	2.0
137.02440	100.0
138.01868	1.7
138.02849	6.5
146.31696	0.8
158.83858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
52.69989	1.2
69.03449	22.9
69.13119	6.2
79.07211	1.2
81.03452	1.3
83.01381	72.6
84.01717	2.3
93.03453	54.3
94.03819	1.9
108.02187	4.2
109.02938	27.6
116.69176	1.3
136.86275	2.8
136.89180	5.5
137.02438	100.0
138.01936	4.8
138.02805	4.2
156.43336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
65.03961	0.6
70.79076	0.3
93.03456	100.0
94.03792	4.8
99.92573	0.7
102.99522	0.3
108.02176	0.8
136.86316	1.5
136.89177	13.2
137.02443	10.8
137.89197	0.9
138.01961	1.5
138.02765	0.5
152.52855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
52.66089	0.4
53.34755	0.4
65.03953	0.8
71.23364	0.4
77.36769	0.3
81.03470	2.2
81.29765	0.4
93.03454	41.5
94.03783	1.8
94.69695	0.3
95.01381	0.8
103.57725	0.4
107.05013	0.4
108.02173	5.0
109.02958	4.0
119.01382	0.7
123.00859	1.1
123.03267	4.0
136.01662	7.4
136.89172	10.2
137.02441	100.0
138.01918	1.7
138.02794	5.3
138.05609	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	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65554	0.4
54.64130	0.4
65.03954	0.4
79.36832	0.4
93.03457	100.0
94.03014	0.3
94.03259	0.5
94.03790	4.5
99.92580	2.6
102.09397	0.4
108.02172	2.5
108.02790	0.4
136.01688	0.6
136.86307	5.3
136.89178	51.1
137.02455	16.4
137.03479	1.0
137.89218	2.1
138.01956	5.2
138.02844	0.4
138.05617	0.7
157.75497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90945	0.4
65.03954	0.8
70.44232	0.8
81.03444	2.2
91.01885	0.6
92.67891	0.4
93.03456	100.0
94.03017	0.8
94.03793	4.6
95.01385	1.2
99.92593	1.3
100.16994	0.5
108.02177	8.0
109.02950	4.3
110.02491	0.9
110.03391	0.5
119.01408	0.8
119.98866	0.5
123.00893	3.2
123.03256	1.1
136.01666	7.6
136.86304	0.9
136.88071	0.6
136.89177	26.9
137.02443	92.0
137.89159	1.0
138.01840	3.9
138.02884	3.6
138.05615	1.2
138.39938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0607
Annotation	SCHEMBL9698637
Peak:m/z	Relative Intensity
65.03953	1.2
71.04183	0.8
71.42773	0.8
81.03450	1.7
93.03455	100.0
94.03039	1.0
94.03792	3.8
106.03129	0.9
106.04252	15.1
107.05013	3.6
108.02185	7.4
109.02979	2.3
119.05014	13.4
119.09364	0.8
120.42988	0.8
135.04492	1.1
136.01646	1.7
136.24876	0.8
136.86253	4.2
136.89182	8.7
137.02452	38.7
137.06082	53.9
138.01917	8.0
138.02798	1.5
138.06453	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.85474	0.2
63.40792	0.2
68.21712	0.3
70.58681	0.4
92.02654	0.7
94.98093	0.2
95.01365	0.3
106.77313	0.2
108.02170	55.5
109.02491	2.3
132.05072	0.2
138.01968	100.0
139.00481	0.3
139.02327	5.0
139.03984	0.4
141.02031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
83.01374	1.5
93.03474	1.4
94.02982	2.3
94.03810	4.1
94.06641	1.2
95.01389	1.4
95.05017	4.1
108.02181	10.3
109.02475	1.4
110.02609	1.2
111.00874	4.0
123.03267	90.7
124.03597	4.2
134.55365	1.1
137.89166	12.4
138.01964	25.9
138.02798	2.0
138.05611	100.0
138.89117	1.6
139.00351	3.1
139.04039	2.2
139.05956	5.6
149.77989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0401
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
51.73089	7.1
55.01875	22.1
56.71674	7.1
67.01900	11.6
67.05534	14.1
68.99814	21.2
69.03453	13.1
69.25208	25.7
79.95751	8.8
81.03462	11.3
83.01383	13.3
93.03475	12.9
94.98074	13.2
95.05020	76.3
96.04553	18.4
98.22636	15.6
98.99783	7.4
111.00880	68.3
111.04515	9.3
111.08119	6.9
116.90733	7.3
124.01659	9.0
124.05327	12.5
139.00455	23.9
139.04012	100.0
139.05017	12.7
139.07675	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0509
Annotation	3770-22-7
Peak:m/z	Relative Intensity
58.02968	2.5
61.28417	1.2
65.51549	1.0
69.03460	1.3
70.02969	1.9
70.94287	1.4
71.01365	2.5
71.05011	4.8
85.02951	2.2
93.18085	1.1
93.63458	1.0
96.04545	1.2
98.06078	2.4
99.04524	25.4
100.04041	24.4
105.47952	1.1
113.02502	1.2
115.04010	12.2
124.98843	1.4
142.05095	100.0
143.03526	13.1
143.05446	6.2
162.46516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0661
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
56.27607	0.6
58.43323	0.5
59.01353	1.7
60.01692	2.3
64.80118	0.5
66.14345	0.5
68.89164	0.5
71.01374	1.2
81.03452	0.6
85.02911	0.6
89.01458	0.6
99.04521	4.1
101.84870	0.5
114.05632	1.0
115.03988	2.7
116.02570	0.8
116.05056	2.1
140.05141	0.7
142.04091	4.8
142.05084	11.9
142.06606	100.0
143.02562	0.9
143.03534	4.0
143.06982	6.5
143.10712	2.8
161.56664	0.6
164.87773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42080	1.2
69.56371	5.3
71.05016	18.6
75.60640	1.4
97.02960	2.0
99.04525	100.0
100.04837	3.5
115.04013	53.6
116.04330	1.9
139.41580	1.3
143.03506	52.5
143.05359	2.4
144.03844	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	143.035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76353	8.0
71.05005	17.5
85.20558	2.6
90.08885	2.4
92.76537	2.4
95.73518	2.4
98.21949	4.2
99.04509	100.0
100.27284	2.4
108.09303	2.5
115.04002	63.5
143.03491	57.4
162.20143	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	143.035
Annotation	Triacetate
Peak:m/z	Relative Intensity
54.17325	6.0
54.40010	5.9
55.01888	10.3
57.03451	6.5
59.01376	7.1
67.35308	6.7
69.03458	25.6
69.40838	6.6
69.73955	8.6
69.74296	18.7
71.01384	72.0
71.05019	17.7
83.01398	47.2
84.84786	6.9
85.02953	54.4
87.00877	17.6
91.11517	5.7
97.02970	20.5
99.04524	100.0
113.02428	11.0
115.04007	46.5
123.85501	6.1
125.02459	14.1
125.81005	6.5
143.02504	12.1
143.03499	76.4
143.10733	9.1
144.04622	34.1
144.06688	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	143.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
59.01378	12.6
64.11611	2.5
69.03450	4.2
71.01373	12.6
71.05016	14.2
71.43130	2.9
83.01374	3.3
85.02950	7.8
87.00869	4.1
91.37458	2.4
96.99324	2.9
97.02943	2.5
97.55996	2.5
99.04514	100.0
100.04879	5.0
115.00322	2.8
115.04001	51.6
116.02575	2.5
116.04375	2.9
124.98793	7.8
125.02367	2.8
142.22292	2.5
142.99841	13.1
143.02441	3.9
143.03500	57.9
143.05389	4.2
143.10753	8.7
144.04561	6.5
144.06657	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	143.1077
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
60.03040	0.8
60.22056	0.8
61.98825	1.3
69.42217	0.7
69.45168	3.7
80.89714	0.9
94.12209	0.9
99.04527	3.1
115.03983	1.4
116.02545	1.0
143.02492	1.1
143.03557	2.1
143.10768	100.0
144.04544	4.1
144.11096	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	144.0455
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
51.99191	0.1
58.47480	0.2
61.98811	0.2
83.04989	0.2
99.08176	0.2
99.92555	0.2
101.06075	0.2
116.05048	1.5
117.03475	0.3
126.03505	0.9
133.45085	0.2
142.03023	0.3
144.04550	100.0
145.04901	6.2
145.08733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
51.72479	0.4
59.01365	0.5
61.98828	0.9
69.45691	1.2
69.46037	0.6
78.68875	0.3
81.03400	0.4
82.02963	0.4
83.05028	0.8
84.04536	0.7
90.13660	0.3
99.08198	0.5
99.92588	1.6
100.07673	0.5
101.06090	1.8
102.05562	0.4
109.04085	1.2
116.04333	0.4
116.05060	1.4
126.03466	0.7
127.05162	1.8
128.03526	0.7
144.04552	100.0
145.03067	0.7
145.04907	5.5
145.06190	1.8
145.08727	0.4
145.09851	0.6
147.42581	0.4
154.76372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0506
Annotation	5-Methoxy-5-oxopentanoic acid
Peak:m/z	Relative Intensity
69.03452	51.8
69.31586	7.3
83.05048	1.9
85.02945	3.0
88.84209	1.4
98.00008	1.7
98.22716	3.4
113.02449	100.0
114.02760	2.6
118.02997	3.0
141.64566	1.4
145.04955	6.0
146.02473	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	13.7
67.03011	3.0
69.88702	2.3
70.02940	2.9
70.64355	4.5
72.00898	7.4
74.02465	20.0
82.02972	9.1
84.04536	44.1
85.02917	2.4
86.02457	6.7
97.04035	4.6
99.05645	5.3
101.02422	2.4
101.07196	20.7
102.05598	100.0
103.26729	2.6
109.04063	52.7
125.03553	10.9
127.05123	91.3
127.06064	4.4
128.03529	85.1
145.06190	66.5
145.09853	4.9
146.04579	17.3
146.06436	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67617	2.4
54.71177	2.6
58.02969	11.1
64.51625	2.3
67.03014	5.9
67.81227	2.5
70.50089	4.2
72.00911	6.0
74.02467	25.5
77.46917	2.7
82.02985	10.7
84.04546	40.6
86.02467	7.4
98.02486	4.7
99.04397	2.5
99.05627	5.6
101.07222	15.2
102.05606	50.1
109.04070	48.5
125.03566	9.8
127.05135	100.0
128.03534	68.6
128.05528	2.9
130.89384	2.7
145.06171	67.9
145.09853	6.2
146.04594	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34511	0.6
53.16779	0.6
61.26691	0.5
69.04710	4.4
77.74344	0.5
82.96305	0.5
83.05037	1.2
84.04579	0.7
87.33349	0.6
94.65531	0.6
97.06579	1.9
98.33781	0.6
99.08160	100.0
100.08499	3.7
100.80511	0.6
101.06094	1.7
102.03523	0.6
105.38011	0.6
114.40610	0.6
117.03435	0.9
118.02976	1.3
127.05103	1.2
127.07664	3.1
143.07155	1.3
144.96497	2.6
145.02995	1.1
145.03964	1.0
145.04947	2.6
145.08711	43.6
146.02487	5.5
146.09042	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
52.22919	1.6
63.15430	1.5
68.04539	1.8
69.31092	8.4
83.01379	2.5
83.05008	3.1
89.25865	1.6
99.08154	100.0
100.08492	4.4
101.06075	3.4
102.05584	3.4
111.96706	1.5
117.80289	1.6
118.02978	3.8
128.03464	1.8
144.96454	2.3
145.02963	3.4
145.03883	3.1
145.04991	17.4
145.08708	46.1
146.02472	11.1
146.06175	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	146.0458
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
52.47811	1.0
53.81098	1.0
71.01886	2.1
85.02885	1.0
90.80726	1.0
91.64449	1.1
92.93895	1.1
101.36793	1.1
102.05598	100.0
103.05946	4.8
128.03525	39.9
129.03836	1.7
130.73152	1.1
141.95216	1.1
146.04588	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
59.01370	2.9
69.77779	3.5
74.02470	4.1
84.04539	3.1
85.02940	5.6
87.00847	4.9
101.02438	1.2
102.05608	100.0
103.05933	3.8
128.03532	41.2
128.04251	0.7
128.05484	4.2
129.01939	2.8
129.03941	2.3
146.02496	1.5
146.04608	19.5
146.06458	2.0
146.86679	4.9
147.02972	1.7
149.58829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0605
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
58.95698	1.2
59.01381	1.9
61.98828	2.0
69.26952	6.4
71.01394	4.0
85.02981	1.5
87.00875	1.9
88.73650	1.3
93.03455	2.4
98.21829	2.5
99.00864	3.7
102.05639	2.3
118.02995	5.8
118.06647	2.6
131.03763	16.8
132.04152	1.5
144.04543	47.8
145.04915	3.9
146.02487	15.3
146.06111	100.0
147.01926	2.9
147.04530	9.6
147.06511	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	146.0609
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
69.77731	3.1
69.78056	1.9
75.24181	1.4
98.22576	2.2
118.03008	2.8
131.03775	15.4
144.04553	43.1
145.05011	1.9
146.02498	3.0
146.06114	100.0
147.06450	5.7
153.51869	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	146.0612
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
59.01365	2.2
61.98821	1.2
64.48392	0.7
64.93753	0.7
67.73666	0.8
68.53437	1.0
69.30254	1.3
69.30657	2.9
71.01370	3.2
73.47013	0.7
74.01001	0.7
75.00851	0.8
85.02941	1.5
87.00867	1.8
88.23501	0.7
93.03427	1.7
94.19298	0.8
98.21828	1.0
99.00877	1.8
102.03487	1.9
102.05589	2.4
103.04226	0.9
104.05094	0.8
118.03014	4.2
118.06634	0.8
119.05010	2.4
120.27202	0.8
128.03519	1.4
131.03761	18.6
144.04543	46.4
145.04944	1.7
146.02473	14.9
146.06111	100.0
147.01932	1.4
147.02980	1.5
147.04512	6.6
147.06429	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	147.0299
Annotation	(-)-Citramalic acid
Peak:m/z	Relative Intensity
50.93496	0.8
57.03445	21.9
59.01378	6.5
71.01386	0.9
85.02946	62.3
86.03285	2.2
87.00873	100.0
88.01195	2.2
93.08472	0.8
98.22658	2.2
101.02434	3.6
101.06107	1.6
103.04012	8.2
118.99867	0.9
129.01045	1.7
129.01938	16.4
147.02997	37.3
147.06613	0.9
148.03284	1.2
164.84378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
53.93332	2.7
54.84209	2.6
57.03449	22.1
59.01379	34.1
70.02972	5.8
71.01379	38.0
71.05016	8.8
72.99302	6.7
73.43445	2.8
74.24591	2.7
75.00864	6.1
82.09033	2.7
85.02946	68.2
87.00871	100.0
99.00891	20.1
101.02388	4.8
101.06078	6.7
103.03998	7.3
111.00962	3.7
119.02480	2.6
129.01938	19.7
147.01985	8.8
147.02986	40.7
147.04523	35.2
147.06639	10.4
148.07729	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	147.0452
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
59.01377	7.1
69.99899	11.7
71.01375	4.5
85.51482	4.1
87.00889	6.6
91.68290	3.9
93.66210	3.8
99.00861	8.9
103.05531	17.5
119.05054	4.2
147.01964	4.2
147.03244	7.3
147.04517	100.0
152.94000	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.86216	3.4
59.01370	10.2
61.64807	3.5
67.71655	3.6
70.02969	7.4
71.01388	20.7
75.00898	4.4
84.99299	4.7
85.02953	8.7
87.00879	7.1
88.83848	4.0
92.55726	3.2
99.00896	19.9
103.05516	6.3
119.05008	10.0
120.06689	6.5
147.01982	13.5
147.03064	7.2
147.04517	100.0
148.04865	5.0
154.11366	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	147.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65056	5.1
53.84062	4.4
53.90285	3.9
59.01381	10.0
60.77161	4.4
70.69620	6.5
71.01372	8.4
75.00865	6.1
99.00893	18.1
103.05543	14.1
112.29884	4.5
119.05011	12.2
120.06758	5.0
147.01979	7.8
147.03252	6.9
147.04524	100.0
147.05637	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	148.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	26.6
63.04419	10.2
64.17023	8.9
64.78342	9.5
70.71267	20.4
71.01347	10.3
73.02952	16.4
73.97243	10.2
75.00866	100.0
76.67593	10.0
87.00873	12.6
88.01212	10.9
89.02436	30.2
100.04032	31.3
148.04305	33.3
149.04538	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27052	17.5
69.77674	18.1
70.80789	30.5
71.01372	22.2
73.02935	33.9
83.16829	18.5
87.00874	23.6
89.02452	68.6
100.04066	95.5
105.09730	19.4
106.22534	18.8
109.10628	16.2
122.64480	18.5
129.02281	17.0
148.03355	21.9
148.04388	100.0
149.04530	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	beta-D-Xylose
Peak:m/z	Relative Intensity
57.03449	1.3
59.01376	29.4
69.03448	4.4
71.01379	25.7
71.41330	1.3
72.99313	11.0
73.02947	33.2
75.00871	100.0
76.01216	1.6
78.98012	1.1
79.93175	1.2
85.02940	3.0
87.00882	9.6
89.02444	93.2
96.29613	1.2
101.02438	3.1
103.04035	9.5
110.57993	1.1
121.02955	1.9
131.03500	12.3
149.04550	77.9
150.04875	3.0
165.02544	1.2
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-Arabinose
Peak:m/z	Relative Intensity
50.72205	1.4
59.01379	31.3
69.03449	5.6
70.43926	3.8
71.01379	27.7
71.53386	1.5
72.99294	10.2
73.02951	31.0
75.00871	100.0
76.01192	1.9
85.02948	5.6
87.00850	9.5
89.02445	88.2
90.02758	2.1
98.22717	1.5
101.02401	2.0
103.04016	9.2
107.50790	1.8
120.01104	1.5
121.02953	3.9
127.08699	1.7
129.41573	1.5
131.03513	11.4
149.02527	3.4
149.04553	77.4
150.04875	2.9
162.33064	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	149.0455
Annotation	alpha-L-Arabinose
Peak:m/z	Relative Intensity
52.42836	0.9
59.01375	11.4
69.03440	2.7
69.46786	3.9
71.01376	29.4
72.99293	2.5
73.02943	28.2
74.34144	0.8
75.00468	1.8
75.00871	20.2
79.60685	0.9
85.02957	1.1
87.00866	8.9
89.02442	100.0
90.02784	1.6
98.21858	0.9
101.02409	1.2
103.04020	11.4
131.03490	9.4
149.04556	57.3
150.04909	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	149.0456
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
57.02622	1.7
59.01377	100.0
60.43111	1.5
71.01377	2.2
82.08214	1.9
89.02438	6.9
94.99311	15.8
104.97747	6.0
121.02944	7.0
148.96733	4.5
149.02423	4.8
149.04596	3.4
149.06042	5.7
150.05661	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	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72205	1.4
59.01379	31.3
69.03449	5.6
70.43926	3.8
71.01379	27.7
71.53386	1.5
72.99294	10.2
73.02951	31.0
75.00871	100.0
76.01192	1.9
85.02948	5.6
87.00850	9.5
89.02445	88.2
90.02758	2.1
98.22717	1.5
101.02401	2.0
103.04016	9.2
107.50790	1.8
120.01104	1.5
121.02953	3.9
127.08699	1.7
129.41573	1.5
131.03513	11.4
149.02527	3.4
149.04553	77.4
150.04875	2.9
162.33064	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	150.0321
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
59.01380	0.9
67.91515	0.7
69.15163	3.7
71.01390	0.7
80.05036	0.8
84.50461	0.6
93.03506	0.7
94.02968	1.1
107.05051	3.4
108.02150	1.1
122.03747	6.3
123.04509	6.1
136.01646	8.7
139.04004	1.7
148.81660	0.7
149.02434	4.6
150.00151	2.1
150.03218	100.0
150.05658	2.2
151.04021	6.5
151.64288	0.8
165.29253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	4.1
51.17383	1.4
58.55310	1.5
59.01365	3.3
66.03494	2.4
67.01892	14.7
68.99796	2.9
69.03451	20.9
71.01379	6.1
79.01884	17.2
80.02682	6.5
81.03455	86.2
82.03790	2.2
82.58972	1.4
89.02465	3.3
93.03504	1.8
94.57681	1.5
95.01386	43.9
97.02945	12.7
101.02442	3.8
107.01384	79.1
107.05021	28.1
108.02188	41.7
108.04544	4.8
108.05295	1.6
109.02953	1.5
109.04052	3.6
122.03680	1.9
123.00890	40.2
123.04513	8.1
124.01762	1.7
125.02441	100.0
126.02789	2.9
136.01657	63.7
137.01979	2.4
151.00360	18.0
151.03989	24.0
151.05121	6.5
151.06165	3.2
151.07581	1.9
152.01154	27.6
152.03467	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.02829	0.2
59.01360	0.3
62.80009	0.2
64.96979	0.2
66.03483	0.2
68.70338	0.2
69.03452	0.3
71.01371	0.5
79.01856	0.2
81.03430	0.2
85.59582	0.2
85.88722	0.2
88.06091	0.2
88.56937	0.2
89.02417	0.2
91.31352	0.2
92.02135	0.3
92.02668	1.7
95.01366	0.5
107.01322	0.2
107.05030	0.7
108.02177	4.5
108.04545	0.3
123.00859	0.3
123.04520	0.5
136.01656	100.0
137.01994	4.0
151.04004	10.8
151.05058	0.6
152.04416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.26376	0.6
53.10338	0.7
59.01380	2.3
66.03487	1.4
67.11418	0.7
69.53450	2.1
71.01387	2.7
77.17372	0.6
78.98641	0.8
79.21274	0.7
82.00602	1.8
85.02970	0.7
86.28437	0.7
89.02449	1.0
91.01917	0.9
92.02676	21.3
92.03231	1.2
95.01392	9.8
101.02438	1.8
104.25845	0.7
107.05032	3.7
108.02166	11.9
108.04562	1.4
109.04083	1.2
119.01328	0.8
123.00912	1.3
123.04535	1.9
130.43057	0.7
136.01660	100.0
137.01994	2.8
151.04004	90.5
151.07611	1.9
152.04507	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	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
68.57054	0.2
78.98599	0.3
81.03469	0.2
98.69376	0.3
106.04275	0.3
108.02130	0.4
109.02943	1.0
118.19055	0.2
121.02930	0.9
122.03735	34.1
123.04079	1.5
137.01976	0.4
152.03528	100.0
153.01953	0.4
153.03893	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	153.0193
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
51.09273	0.4
65.03959	16.1
67.01887	7.2
83.01395	0.5
91.01897	4.9
96.39758	0.5
98.15421	0.5
102.46836	0.4
109.02950	100.0
110.00106	1.1
110.03278	2.4
125.02427	0.6
135.00883	26.7
136.01180	0.8
137.99611	0.8
151.00388	1.3
153.01935	80.0
154.02296	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	153.0193
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
56.28828	0.6
57.03436	5.2
63.02386	2.3
65.00314	9.6
66.03462	0.7
67.01889	3.4
68.99813	8.0
69.32455	1.2
69.32846	1.4
72.30429	0.6
72.71001	0.6
73.54763	0.6
80.52110	0.6
81.03458	3.4
82.02996	0.9
83.01382	35.5
85.02965	3.0
85.63727	0.6
93.04581	1.6
98.21883	1.0
107.01385	13.8
108.02171	5.1
109.02950	26.4
111.00880	1.5
123.00900	1.5
125.02444	14.4
136.96855	0.6
137.03525	0.8
137.99516	0.7
138.03279	1.6
151.00363	58.2
152.00684	2.1
153.01929	100.0
154.02319	3.2
154.06200	2.7
169.01518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75436	0.5
59.01359	0.6
65.03960	14.4
66.03480	0.6
67.01888	6.4
80.96441	0.7
81.03473	0.6
81.07142	0.6
82.02985	1.8
83.01368	1.0
91.01878	3.4
108.02193	1.2
109.02946	100.0
109.06583	0.8
110.00100	1.7
110.03262	3.3
111.00869	1.7
116.46980	0.5
123.00851	0.8
124.01680	0.6
124.03992	0.7
125.02455	1.9
135.00879	27.7
136.01237	1.0
137.99600	0.9
138.03203	1.3
151.00356	1.2
153.01932	79.8
153.05525	3.6
154.02379	2.5
154.06215	1.4
160.45726	0.5
161.14189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0556
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
68.99826	2.2
69.03440	1.6
71.01396	1.8
81.03463	4.7
82.00605	1.8
82.02985	2.7
93.03440	1.5
95.01385	1.9
95.05014	1.9
97.02934	1.7
100.18613	1.2
108.02161	7.4
109.02953	91.2
109.06584	3.6
110.00095	6.5
110.02548	1.4
110.03281	2.7
122.03744	2.2
123.00896	21.3
123.04529	100.0
124.04044	2.0
124.04897	3.7
124.98793	1.6
125.02434	3.3
126.31145	1.3
135.04506	2.4
137.99579	3.8
138.02223	1.6
138.03233	19.3
153.01942	21.9
153.03098	2.7
153.05577	26.1
153.06688	1.4
153.09203	3.4
153.86867	18.8
163.52341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10360	0.6
65.78474	0.5
66.03476	1.6
67.03004	5.2
69.68317	0.8
69.68666	1.5
72.00900	9.3
74.02464	1.1
80.03796	7.2
81.04578	10.8
93.04575	61.4
94.04906	1.3
106.12338	0.6
108.05672	7.4
109.04074	4.3
110.07236	15.8
111.01981	1.0
118.04117	2.5
121.15781	0.6
128.79228	0.6
136.05167	9.7
137.03560	39.2
138.03883	1.2
154.06218	100.0
155.06528	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	154.0622
Annotation	L-Histidine
Peak:m/z	Relative Intensity
51.63471	0.5
55.73650	0.5
63.59350	0.5
66.03479	2.3
67.03013	7.3
68.20261	0.5
69.36435	1.5
69.36828	1.1
72.00903	9.9
74.02454	1.2
80.03804	9.9
81.04576	12.1
93.04578	69.0
94.04910	1.2
98.21893	1.0
107.08441	0.5
108.05672	9.8
109.04066	5.1
110.07233	17.8
118.04145	3.4
134.03563	0.6
136.05167	10.0
137.03564	45.3
138.03917	0.9
143.23146	0.5
154.06221	100.0
155.06538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0504
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
54.15192	0.4
59.01373	9.0
69.03459	2.9
69.73009	1.6
71.05016	0.6
74.87115	0.4
85.02986	0.6
87.00858	0.4
88.51415	0.4
106.98200	0.4
107.16687	0.4
110.06686	0.4
113.06081	100.0
114.06393	2.8
114.93436	0.8
115.00374	1.0
126.02403	0.4
127.00323	0.5
130.06595	0.4
155.99524	0.4
156.89536	0.7
157.05051	10.1
157.08699	1.4
157.12349	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	157.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10524	1.6
57.03437	5.2
59.01378	42.0
69.03453	3.4
69.08244	13.4
71.01405	1.8
72.00901	2.3
75.68614	2.0
78.25413	1.9
84.99306	8.1
85.02937	2.8
95.05025	2.7
95.62950	2.2
97.93147	12.4
112.95522	15.0
113.06089	100.0
114.05599	3.2
114.06388	3.3
114.92655	3.8
114.93417	56.3
127.00324	5.7
128.98312	2.2
134.10767	1.8
154.16539	1.9
156.89502	2.6
156.94438	7.1
157.05020	13.1
157.08662	6.3
157.12323	3.7
158.04631	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
54.10524	1.6
57.03437	5.2
59.01378	42.0
69.03453	3.4
69.08244	13.4
71.01405	1.8
72.00901	2.3
75.68614	2.0
78.25413	1.9
84.99306	8.1
85.02937	2.8
95.05025	2.7
95.62950	2.2
97.93147	12.4
112.95522	15.0
113.06089	100.0
114.05599	3.2
114.06388	3.3
114.92655	3.8
114.93417	56.3
127.00324	5.7
128.98312	2.2
134.10767	1.8
154.16539	1.9
156.89502	2.6
156.94438	7.1
157.05020	13.1
157.08662	6.3
157.12323	3.7
158.04631	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	158.0459
Annotation	4-Methylene-L-glutamate
Peak:m/z	Relative Intensity
52.01893	0.4
56.05037	1.2
57.03447	63.9
58.03786	0.7
59.12287	0.4
66.03481	14.0
68.05049	17.4
69.03454	7.1
69.71947	1.5
71.01379	0.9
72.00908	100.0
73.01257	0.6
85.02946	3.0
86.02478	1.7
86.06100	2.4
87.04509	3.2
95.66888	0.5
96.04551	5.7
97.02953	2.1
98.22695	0.4
101.51740	0.4
112.04031	1.1
113.02453	11.8
114.05608	57.0
115.05940	1.3
130.05107	5.4
140.03548	4.1
158.04585	95.7
159.04900	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	158.9391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
65.75096	0.3
68.61293	0.3
70.73359	0.5
71.01376	0.5
71.05048	0.3
73.02956	0.9
76.77534	0.3
84.93861	2.6
86.78203	0.3
86.95431	2.5
87.00910	0.3
92.13328	0.3
97.06594	1.5
99.92586	29.2
100.01662	0.5
100.92600	1.4
100.93363	1.0
101.02442	0.4
111.00837	0.5
113.02470	0.4
114.94933	25.5
115.04007	5.5
115.07626	1.1
115.92061	0.5
115.94958	1.2
116.92861	100.0
117.92865	4.9
133.37668	0.3
142.05223	0.4
158.93919	13.7
159.03029	1.3
159.06541	0.7
159.93993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34594	0.3
59.01381	1.9
69.03444	0.3
73.02946	0.6
78.18661	0.2
84.93879	2.9
86.95437	2.9
99.92586	29.8
100.01656	0.5
100.92597	1.6
100.93366	0.9
101.02411	0.4
108.57938	0.3
112.93343	0.4
114.94934	23.9
115.04011	6.2
115.07668	1.4
115.92085	0.5
115.94957	1.0
116.92860	100.0
117.92862	4.7
129.01956	0.3
158.93912	12.6
159.03029	0.6
159.06639	0.7
159.93982	0.8
160.06120	0.3
162.08681	0.3
171.86017	0.3
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	3-Oxoadipate
Peak:m/z	Relative Intensity
57.03440	3.9
57.91861	1.0
65.32516	1.0
69.03472	5.0
69.22704	5.4
71.01385	1.0
71.05016	23.4
72.99298	3.3
80.93214	0.9
85.02959	1.3
87.04510	14.0
87.05010	1.5
96.21793	1.1
97.02940	6.2
98.21831	1.8
113.02418	5.6
115.04010	100.0
116.04341	1.9
116.07180	14.8
131.03471	1.4
141.01929	4.4
142.05103	29.1
149.06549	1.1
153.00049	1.2
158.38269	0.9
159.02992	15.1
159.04350	1.0
159.04922	1.8
160.06174	4.6
174.26692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	2-Formylglutarate
Peak:m/z	Relative Intensity
53.13341	0.8
56.83887	0.9
57.03437	3.0
69.03451	3.3
71.01371	1.2
71.05021	23.7
71.05416	1.3
72.99289	1.2
85.02926	2.2
87.04517	12.6
88.89011	0.8
88.89568	0.9
97.02944	5.8
98.22633	1.6
113.02441	4.2
113.12271	0.9
115.04012	100.0
115.89989	0.7
116.04346	2.0
116.07164	1.3
116.92805	1.0
131.03481	2.1
141.01952	3.0
142.05083	1.1
146.07516	0.9
159.02992	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67844	1.8
65.42003	2.0
69.03455	5.8
71.05016	26.7
71.33070	2.1
87.04523	17.3
97.02946	4.4
115.04011	100.0
116.04402	2.9
159.02969	7.8
163.56451	2.1
176.31252	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	159.0662
Annotation	(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
58.55017	0.7
59.01365	3.4
60.89339	0.7
64.45738	0.6
69.03423	0.9
70.00474	1.9
71.01373	1.4
71.05025	6.7
73.02963	1.0
79.78265	0.7
84.93890	0.9
87.00805	0.9
87.04510	3.0
95.69951	0.6
97.02971	1.1
97.06574	3.5
98.21858	0.7
99.92580	14.4
102.34766	0.7
104.05026	1.0
111.00880	1.0
112.01662	0.8
113.72601	0.7
114.94925	14.2
115.03183	1.5
115.04005	31.2
115.07645	100.0
116.04342	1.0
116.07187	1.7
116.07999	2.7
116.92854	47.0
117.92884	1.3
129.01967	1.1
131.03719	1.0
132.04550	7.1
141.05586	7.2
142.05093	4.2
158.03712	7.6
158.89333	0.9
158.93901	8.3
159.03075	4.6
159.04518	62.4
159.06580	34.3
159.10324	0.7
160.03979	16.5
160.06975	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	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36729	2.6
73.02940	1.7
74.02483	0.8
78.48975	0.5
85.02985	0.7
87.48077	0.6
96.04506	0.7
98.06119	1.6
98.21884	0.7
99.04505	1.6
114.05582	0.9
115.04021	1.1
116.07175	50.6
117.07517	1.0
142.05095	100.0
143.05409	2.1
160.04855	1.0
160.06152	17.0
165.60152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.3
71.05020	11.1
72.05346	0.2
73.02949	0.2
81.03458	0.6
87.04507	0.4
97.02950	0.6
99.04520	38.2
100.04843	1.3
115.04012	24.7
116.04340	0.8
117.05576	4.6
138.53209	0.1
139.26483	0.1
143.03502	100.0
144.03835	4.3
161.04559	10.0
162.04933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91563	2.1
71.05014	9.8
81.03468	0.7
99.04517	31.2
100.04841	1.2
106.09837	0.6
115.04007	18.9
117.05578	4.3
143.03494	100.0
144.03885	3.4
161.04562	11.0
175.06413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	2-Hydroxyadipate
Peak:m/z	Relative Intensity
55.01886	1.6
55.51922	1.3
57.03435	5.1
59.01375	45.0
69.03461	1.5
71.01382	28.8
71.05019	45.4
72.99309	2.8
73.02943	78.8
75.00893	2.0
81.03451	7.3
83.01400	9.6
83.01873	1.5
85.02949	44.4
85.82669	1.5
87.00867	2.5
87.04499	13.6
89.02444	9.6
95.01392	4.1
97.02937	4.4
99.04514	67.3
100.04839	2.0
101.02443	8.7
104.41631	1.4
113.02436	13.4
115.04011	44.2
115.07625	6.0
116.04362	1.6
116.92871	6.6
117.05576	55.4
118.03014	1.6
118.05943	1.4
118.92683	2.8
131.03502	17.8
133.02901	3.1
133.05034	1.6
143.03497	100.0
147.68381	1.3
160.84229	4.6
161.02412	3.8
161.03464	1.7
161.04582	26.5
161.08194	84.4
162.01952	3.5
162.08485	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	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
69.70568	0.4
69.89389	1.1
70.70975	0.5
71.01382	0.5
71.05022	10.3
73.02943	1.0
80.96553	0.4
81.03466	0.7
85.02951	0.8
97.02983	0.5
99.04517	36.4
100.04840	1.1
115.04012	23.6
116.04334	0.5
117.05584	3.9
143.03500	100.0
144.03830	2.9
161.04559	10.1
175.38507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.24216	0.2
68.88517	0.2
70.67234	0.2
82.52486	0.2
87.82804	0.1
88.99310	0.2
91.05511	0.3
92.05061	0.3
93.03448	1.2
101.02422	0.2
102.98615	0.2
116.92073	0.2
118.71275	0.2
119.05025	100.0
120.04547	0.7
120.05331	3.3
125.24549	0.2
133.86519	0.2
135.04437	0.2
139.87032	0.2
147.04590	0.2
162.83899	0.2
162.89313	0.3
163.00346	0.4
163.04013	9.1
163.07562	0.2
164.04387	0.2
164.07159	0.2
172.48531	0.2
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	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
70.07449	0.6
73.02969	0.2
80.47852	0.2
91.01896	0.4
91.05530	2.1
93.03448	1.3
101.02398	0.3
102.98602	0.2
116.92097	0.3
117.03462	0.2
119.05024	100.0
120.05365	2.7
121.02894	0.3
135.04514	0.6
147.04518	0.7
162.83907	13.4
162.89308	0.7
162.90446	0.4
163.00327	0.7
163.04002	22.4
164.04369	0.7
164.07127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54554	1.6
63.81732	1.8
65.01474	1.8
66.42308	2.0
72.03509	1.7
73.37712	1.9
75.30625	1.7
81.07879	1.8
82.85759	1.8
82.91529	1.6
118.99269	2.8
119.05007	2.4
162.83917	29.4
163.11284	100.0
164.11601	4.4
166.56895	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	163.1122
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.63399	2.3
52.64469	2.4
61.25469	2.5
71.43170	3.6
74.55470	2.4
100.76344	2.9
104.95941	2.7
116.92130	3.1
118.99239	6.5
162.83902	23.4
163.11281	100.0
164.11613	3.8
181.00336	2.4
183.04645	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
56.10880	0.8
69.39616	4.0
72.00906	43.2
79.63996	0.9
81.82274	0.9
91.05540	4.7
96.25681	0.8
103.05562	5.5
103.44047	0.8
132.33412	1.0
144.08997	0.9
147.04517	100.0
148.04854	2.6
151.40178	0.8
164.07155	54.9
165.07465	1.9
166.12956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
66.03490	0.5
70.63768	0.4
72.00900	0.3
80.05058	2.3
85.05186	0.2
92.05043	0.3
93.03475	0.3
94.02974	0.2
107.03710	0.3
108.08183	1.8
118.02921	0.2
119.95129	0.3
120.04541	1.5
120.05334	0.5
121.02969	2.8
121.05338	11.5
121.06664	0.5
122.05600	0.3
135.03268	0.6
136.04063	1.3
136.07675	14.6
137.04839	1.2
147.04506	1.5
149.01088	0.2
149.04817	8.1
152.03618	0.5
153.04321	0.5
164.03543	2.5
164.07159	100.0
164.83635	0.6
165.07506	3.2
180.50060	0.2
181.03775	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	165.0193
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
51.26959	0.5
57.39434	0.5
59.01359	0.5
66.05442	0.6
66.05807	0.6
74.99091	0.6
75.00846	0.7
77.03976	1.5
82.74560	0.5
84.41777	0.6
87.75042	0.5
93.03463	3.5
109.54540	0.5
121.02952	100.0
121.06558	2.5
122.03230	2.8
123.04581	0.5
123.05632	1.0
136.01624	0.6
137.02438	1.1
138.05583	0.7
147.04518	1.2
148.04871	0.9
149.00960	2.5
150.03236	2.3
151.00435	0.8
164.89568	2.7
165.01898	11.5
165.04117	1.0
165.05547	2.0
165.06654	0.8
166.01350	1.1
172.00266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29308	0.7
55.01870	3.5
59.01381	11.3
70.10815	1.3
71.01369	5.6
72.99299	3.7
75.00871	100.0
76.01220	0.9
77.52734	0.7
85.02936	1.6
87.00876	41.8
89.02450	3.5
99.00886	12.4
101.02460	2.5
104.22281	0.8
105.01933	35.3
117.01912	2.5
119.03488	1.1
129.01953	11.4
135.03029	1.3
147.03015	9.5
158.87726	0.8
165.04037	62.1
166.04391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
58.50549	1.1
58.73486	1.1
59.01386	12.9
69.47643	4.0
70.74641	1.2
71.01386	9.2
71.82379	1.1
72.99310	4.4
73.02957	2.6
73.97640	1.4
75.00871	63.7
77.13153	1.5
81.92764	1.3
85.02966	1.4
87.00876	100.0
88.01191	1.4
89.02435	5.3
93.03454	3.6
98.22595	2.8
99.00880	19.0
101.02450	5.5
105.01933	79.3
117.01923	5.7
121.02950	14.7
121.06669	1.7
129.01958	5.1
135.02989	3.3
145.04047	1.7
147.02992	14.5
147.04454	4.5
165.04039	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18911	0.6
55.01879	0.9
55.73526	0.6
57.03474	1.0
59.01371	9.5
64.75594	0.7
69.84755	0.7
70.84868	1.0
71.01378	7.9
72.99281	3.4
73.02938	3.3
75.00869	35.9
77.03960	2.9
87.00871	100.0
88.01225	1.4
89.02480	3.4
93.03460	1.9
99.00871	18.5
101.02453	3.9
105.01930	79.1
106.02283	1.1
115.03318	0.8
117.01955	3.3
119.03432	0.9
121.02950	67.2
121.06546	0.8
122.02456	0.8
122.03259	1.5
129.01991	3.9
135.02989	2.5
147.02997	11.3
147.04356	1.2
148.04041	1.5
150.03183	0.8
164.89615	4.0
165.02034	5.5
165.04036	76.4
165.49005	0.6
166.01373	0.9
166.04196	0.8
173.35651	0.8
184.41838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
54.51597	0.5
66.38354	0.5
67.01897	0.8
70.57475	0.8
72.99306	29.9
91.01931	1.5
91.05519	2.9
95.01398	1.9
100.04564	0.5
101.04000	1.5
103.05498	2.9
105.01945	0.5
109.02988	1.2
117.03487	0.7
119.05027	33.7
120.05383	1.4
120.70469	0.5
121.02958	6.7
121.03769	0.7
121.06643	1.2
123.00887	8.7
137.02435	1.1
147.04521	100.0
148.04839	2.6
149.01051	0.7
150.03195	0.6
151.00368	19.6
165.01958	2.5
165.05563	35.7
166.01378	0.5
166.02690	1.5
166.05923	0.5
174.32805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
52.03191	0.3
54.31725	0.3
60.83274	0.3
74.36499	0.3
92.02699	0.3
92.05032	0.7
93.03454	0.4
94.02980	0.5
95.01391	0.5
108.02170	1.6
117.35477	0.3
118.02997	0.4
120.04515	0.4
121.02991	1.8
121.05351	1.8
122.02508	0.5
122.03256	1.5
122.06120	0.5
123.00828	0.7
123.04562	0.7
124.04015	0.6
124.98428	1.3
135.04527	1.0
136.01674	1.0
136.04184	0.6
136.05293	18.4
137.05589	0.6
137.52101	0.4
138.01964	0.7
138.05620	0.4
140.02670	0.3
143.32298	0.3
148.03986	0.5
151.00369	1.4
152.01151	3.0
166.01439	4.7
166.05090	100.0
166.83315	0.5
167.03519	1.3
167.05481	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
51.99696	0.2
55.93826	0.2
66.03488	0.3
75.22463	0.2
76.34289	0.2
83.13177	0.2
93.03459	0.5
93.99341	0.2
95.01367	0.3
97.94800	0.2
108.02171	1.0
121.02947	9.7
122.02516	0.3
122.03310	0.9
122.06067	0.3
123.00898	0.2
123.04507	0.5
124.04032	0.3
124.98418	1.3
136.01640	0.7
136.05292	8.6
137.05658	0.3
151.00377	0.6
151.02742	25.5
152.01163	1.7
152.03081	0.6
159.34348	0.2
165.83675	0.8
166.01463	2.9
166.05089	100.0
166.83356	1.3
166.99603	0.5
167.03543	0.8
167.05458	3.0
168.50014	0.2
183.01718	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0347
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
63.35076	1.0
77.90342	0.9
80.02692	1.5
81.03445	1.5
91.01889	3.1
95.01382	4.4
96.04563	4.6
97.02969	1.4
99.04520	1.0
108.02177	55.8
114.11012	1.0
123.00896	2.8
123.04525	21.8
123.05492	1.1
123.08231	0.8
124.01633	1.1
124.98427	6.3
125.02364	0.9
125.28134	0.9
139.00372	1.0
140.02483	1.0
150.01573	0.9
152.01155	100.0
153.00601	2.7
153.01694	2.3
163.47940	0.8
166.99655	2.1
167.03473	28.1
167.05753	1.2
167.07173	2.1
168.03040	2.4
182.42137	1.1
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	Orsellinate
Peak:m/z	Relative Intensity
54.37525	1.0
61.24018	0.9
65.00321	7.1
68.51471	1.1
69.37639	2.6
69.38039	3.0
83.01408	1.3
89.24522	1.3
91.01889	50.8
95.01370	5.9
108.02174	67.7
109.02460	1.3
111.00833	2.3
123.00920	9.2
123.04521	100.0
123.08141	2.2
124.01656	3.1
124.04825	2.9
124.19981	1.1
139.00398	1.9
150.14291	1.1
152.01147	74.9
153.00568	1.9
167.03491	39.7
167.04889	2.3
167.07156	2.0
168.04041	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	167.0347
Annotation	Orsellinate
Peak:m/z	Relative Intensity
52.66216	0.6
55.20289	0.6
56.65398	0.5
63.02377	0.6
65.00318	6.0
66.67772	0.6
70.07845	0.5
70.12833	1.1
70.55641	0.5
78.95906	4.5
80.02672	1.2
80.05053	1.3
83.01419	1.0
83.68372	0.6
91.01885	44.8
95.01386	1.4
95.05026	2.2
100.81760	0.5
101.98267	0.5
108.02164	46.9
111.00214	0.6
111.00864	3.3
123.00891	2.0
123.04514	100.0
124.01625	2.0
124.04865	2.3
152.01138	59.0
153.01559	1.5
158.41859	0.5
167.03473	36.7
168.03864	0.8
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	Unknow
Peak:m/z	Relative Intensity
63.02388	0.8
65.00319	7.2
69.74489	1.8
71.04974	0.6
80.02695	1.1
91.01890	50.0
92.02248	1.1
95.01414	1.9
108.02168	55.4
109.02438	0.8
111.00894	3.0
123.00875	2.4
123.04519	100.0
124.01662	2.4
124.04817	3.0
138.03139	0.7
152.01146	60.6
153.01486	1.2
167.03487	37.2
168.03876	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	167.035
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
63.02390	1.4
65.00318	7.9
70.70348	1.6
71.41526	0.6
80.02695	1.0
87.45189	0.7
91.01893	55.2
92.02225	1.6
94.43102	0.7
95.01379	1.1
108.02174	57.5
109.02464	1.0
111.00888	3.1
123.00896	1.5
123.04528	100.0
124.01689	1.9
124.04865	3.3
146.14943	0.7
152.01155	57.2
153.01486	1.7
167.03497	38.3
168.03851	1.2
183.84598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18730	3.0
56.10323	3.3
59.01371	3.6
61.98823	7.7
74.24712	3.1
80.05060	4.3
82.95406	17.1
85.00436	15.9
95.01386	9.4
95.75645	3.3
96.04555	15.5
108.02168	34.3
109.06567	10.3
111.08147	20.4
123.00867	13.9
123.04543	22.3
124.01710	3.8
124.98437	100.0
126.99563	3.4
131.08653	4.5
132.86786	44.0
140.02513	8.8
141.02109	4.0
151.03221	8.4
152.01141	81.7
153.00644	34.8
166.83325	61.4
166.99500	27.7
167.03510	45.8
167.06213	10.8
167.14400	44.8
167.83629	7.5
167.87100	27.3
168.03017	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0302
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
53.59378	0.3
57.93461	0.3
63.26258	0.2
65.99836	0.9
86.44312	0.3
96.04552	0.8
98.22679	0.6
109.02934	0.6
121.02944	0.4
122.03746	0.3
124.01689	0.7
125.02449	1.1
125.63451	0.3
126.02000	0.3
126.71571	0.3
137.02451	7.4
138.03232	19.2
139.03551	0.7
140.96846	0.3
153.00674	1.9
168.03017	100.0
169.01495	0.3
169.03394	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	168.1393
Annotation	Nitramine
Peak:m/z	Relative Intensity
58.02973	100.0
59.01365	4.2
61.98510	1.2
61.98832	23.8
69.03448	1.7
69.60575	4.7
77.30460	1.1
80.05048	3.3
80.35646	1.4
80.36148	1.2
80.36658	1.1
82.95415	32.0
87.00869	1.8
95.01397	1.5
96.04562	19.5
97.02940	2.5
103.01462	2.9
108.04558	1.6
123.00847	7.4
124.04816	1.9
125.02444	34.1
125.09660	1.9
125.98540	5.4
126.01920	2.3
126.90308	1.8
126.98054	1.3
129.60164	1.1
132.86790	29.6
134.41452	1.2
141.02090	3.4
153.00656	43.6
167.83562	4.6
167.85730	2.6
167.87114	41.8
167.99522	2.2
168.03040	19.6
168.04282	2.3
168.10287	3.5
168.13821	10.9
168.83589	13.5
169.01422	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	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
50.50411	0.4
52.14937	0.4
53.19931	0.4
61.98820	0.5
68.99821	3.1
69.03454	4.7
69.17895	0.4
70.66158	0.8
79.01905	1.0
81.03454	3.4
82.01125	0.4
83.01417	0.5
85.00436	3.0
95.01408	1.3
95.77775	0.4
96.99319	0.9
97.02953	5.6
107.01385	0.5
120.60001	0.5
123.00858	0.5
124.01666	0.6
125.02447	100.0
126.00944	0.7
126.02815	2.6
132.86795	8.7
134.86554	26.8
168.98994	1.8
169.01424	35.2
169.83430	5.0
170.01791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	Boonein
Peak:m/z	Relative Intensity
53.92338	5.0
65.00320	14.7
69.03439	10.3
70.77975	9.0
71.05031	32.6
79.01994	5.2
82.27338	6.6
83.05008	10.4
97.02934	30.5
111.28671	5.1
123.08128	8.1
125.00685	6.2
125.02432	32.8
125.06070	10.5
125.09731	43.4
127.59718	6.8
139.00372	8.3
151.07541	5.1
168.83594	6.3
169.01442	34.7
169.06233	15.9
169.08733	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	169.087
Annotation	Boonein
Peak:m/z	Relative Intensity
54.98748	6.8
62.67044	5.7
62.73947	6.2
69.03420	7.7
69.44656	20.4
71.05012	25.6
83.05013	6.7
83.82887	4.9
97.02939	18.6
101.25370	5.1
104.43934	5.0
104.90670	5.4
123.08168	12.2
125.02418	14.3
125.09716	38.0
163.26373	5.5
169.01445	13.2
169.08681	100.0
181.96524	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	169.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.4
61.98824	2.7
66.22128	1.2
69.03459	8.8
69.07169	7.3
71.05019	27.1
81.03456	4.5
83.01371	1.2
83.05017	7.1
84.95107	3.1
85.00430	4.1
87.00861	3.5
97.02946	7.1
97.06583	1.9
107.11080	1.0
111.38206	1.2
123.08137	6.4
125.02451	100.0
125.06135	2.2
125.09725	94.0
126.02791	2.7
126.10086	1.3
126.90377	2.6
126.98191	3.8
132.86781	2.9
134.24203	1.0
134.86542	8.1
154.00989	1.9
168.83617	27.1
168.99217	1.9
169.01421	38.4
169.05048	1.6
169.06291	2.5
169.08704	13.6
169.83496	1.1
169.86798	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	171.1026
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
54.56227	0.6
69.31279	1.6
69.31677	0.8
98.21948	1.0
114.23310	0.5
123.08157	0.7
125.09722	3.2
127.07626	0.9
127.11273	6.5
153.09195	1.2
154.44008	0.6
170.83310	6.1
171.01976	3.6
171.10255	100.0
172.10617	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	171.139
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
55.34752	0.2
58.02974	0.5
58.48277	0.3
59.01376	2.7
59.45019	0.3
61.98825	1.3
62.01815	0.2
62.99087	0.3
65.00312	0.4
70.88952	0.4
71.01388	0.3
88.98807	1.4
89.02437	6.4
89.49166	0.2
96.96008	0.8
99.00837	0.9
99.92576	1.8
103.01488	0.7
115.92126	0.3
117.00426	0.6
125.02439	0.3
125.09762	0.5
127.01469	0.2
127.02912	0.7
127.07658	1.2
127.11298	0.5
128.90089	1.8
128.98006	0.4
129.12971	0.2
134.86511	1.5
136.86290	1.7
144.04483	0.3
170.83331	4.4
170.84732	0.5
170.88356	2.0
170.91148	0.6
170.99132	0.4
171.01990	6.8
171.10292	7.0
171.13896	100.0
171.83192	0.6
171.86467	0.6
171.91064	0.3
172.14206	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	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.37861	0.3
58.02975	1.2
59.01378	3.5
65.26711	0.4
69.84610	1.1
83.05068	0.3
85.02927	0.4
85.06582	0.8
89.04774	0.3
93.03475	1.1
98.22002	0.6
99.92531	0.3
111.04572	0.3
111.08189	0.4
113.06139	0.5
128.05086	1.4
128.07991	0.6
128.10866	2.1
130.08733	100.0
131.07141	3.3
131.08223	1.0
131.09097	1.7
144.04572	1.2
172.01405	0.5
172.04031	0.8
172.09789	15.2
172.83041	0.4
173.10229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
56.94543	0.3
58.02976	2.5
66.62837	0.3
69.67735	0.6
69.68111	0.8
93.03477	1.0
98.01519	0.7
99.92593	5.8
102.76852	0.3
127.92123	0.5
128.08000	0.7
128.10815	5.9
130.08737	100.0
131.08273	0.9
131.09087	1.8
144.04538	1.4
171.83382	0.4
171.91064	1.4
172.09784	19.1
173.04521	0.8
173.10091	0.4
185.63214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00322	2.1
55.01879	6.0
57.03443	4.4
58.53765	1.8
59.01380	11.7
67.01884	7.2
68.99813	4.5
69.03455	44.4
69.73904	6.9
70.76120	2.3
71.01382	84.3
71.05022	7.2
72.99290	9.4
73.02943	29.2
80.99835	2.7
83.01393	7.7
83.05013	12.4
85.02956	8.4
85.06588	14.7
87.00884	9.1
93.03458	38.2
96.99303	5.1
97.02946	38.4
99.00882	40.4
99.04526	7.4
101.02435	2.3
101.06091	11.7
110.03062	1.9
111.00888	6.5
111.04514	33.6
112.98810	59.2
113.02450	36.7
115.00375	5.0
124.98802	22.9
129.01970	2.4
129.05569	29.5
131.08243	15.0
137.02444	8.3
140.98351	3.4
142.99855	100.0
145.05067	5.2
155.03499	17.4
169.83972	1.9
172.83066	20.7
173.00923	8.0
173.04590	28.2
173.08284	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	173.0453
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
50.92910	0.6
57.03439	2.5
59.01385	7.9
60.99299	1.3
67.01886	12.0
69.03439	2.5
69.38087	2.8
71.01377	6.8
75.34690	0.6
81.03440	2.3
81.28352	0.6
83.01396	0.9
83.05009	2.0
85.02946	2.2
93.03455	63.1
94.03759	1.0
109.02931	1.7
111.00871	1.7
111.04514	8.5
113.02439	1.3
113.74010	0.7
125.99612	0.6
131.07126	2.1
131.08263	2.0
137.02441	1.3
155.03496	2.0
173.04543	100.0
174.04886	2.6
191.11899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01115	0.9
59.01379	10.2
60.99300	1.7
66.13673	0.5
67.01895	15.0
69.03456	3.3
71.01386	7.8
81.03464	2.5
83.05035	1.7
83.40210	0.5
85.02966	1.8
85.06599	1.3
91.52021	0.6
93.03460	73.8
94.03796	1.5
96.02172	0.6
98.21818	1.5
99.00907	0.8
99.04496	0.7
109.02964	2.0
111.00888	1.4
111.04530	10.1
111.08158	1.1
113.02486	0.9
113.06119	1.3
127.04031	1.0
131.07141	5.9
131.08194	0.9
137.02463	2.1
138.22063	0.5
145.42601	0.5
153.01872	0.5
155.03525	2.2
173.04555	100.0
174.04881	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	173.0454
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
57.03441	1.3
58.00578	1.5
59.01373	1.3
64.67071	0.8
67.01888	1.9
69.03452	100.0
69.18224	4.9
70.03779	1.9
71.01377	5.1
71.05013	2.0
73.02934	5.9
83.05007	3.6
85.02928	2.6
85.06584	12.5
93.03457	9.5
97.02941	16.1
99.00856	2.6
99.04498	1.4
101.06081	4.6
102.47989	1.1
111.00848	1.1
111.04507	4.9
113.02444	70.5
115.38311	1.0
129.05571	42.4
130.05959	1.0
131.08246	2.1
145.05069	10.1
155.03473	2.3
173.04532	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	173.0455
Annotation	Shikimate
Peak:m/z	Relative Intensity
56.76916	2.0
58.00592	8.1
59.01367	5.6
63.67332	2.1
65.54023	2.1
67.01893	6.8
69.03454	23.0
69.32758	2.9
69.59777	6.8
69.60116	3.5
71.01381	7.0
71.05014	12.7
71.14247	1.9
72.99297	3.6
73.02947	16.2
75.00902	2.3
80.66322	1.8
83.05035	5.3
85.02956	5.7
87.00860	2.1
93.03468	40.3
95.17252	1.9
97.02947	100.0
99.00912	3.7
99.04510	5.7
101.06087	33.3
106.56245	2.2
111.00832	2.1
111.04536	15.8
111.08176	2.4
112.98812	4.8
113.02451	14.6
129.05547	4.0
137.02463	6.5
141.01967	5.6
142.99899	2.6
145.01472	4.5
155.03549	3.8
172.83070	16.0
173.00977	3.0
173.04564	22.1
173.08194	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	173.0454
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01874	4.8
57.03436	5.1
58.00573	4.2
59.01373	8.4
67.01889	3.5
68.99861	1.5
69.03455	11.9
69.54544	1.4
69.54861	3.3
71.01379	62.4
71.05026	6.0
72.51109	1.4
72.99323	7.1
73.02943	56.2
81.03449	6.8
83.01399	7.7
83.05016	22.6
84.05374	1.3
85.02946	13.3
85.06596	6.8
87.00871	35.6
88.34222	1.4
93.03455	100.0
94.03785	2.7
97.02950	23.9
98.21862	2.8
99.00871	32.6
99.04517	13.8
101.06069	8.5
109.02956	1.4
111.00877	8.2
111.04517	50.8
111.50457	1.4
112.98809	19.3
113.02464	5.5
113.60601	1.3
115.00345	2.5
124.98793	11.9
126.81818	1.3
129.01933	6.5
129.05576	20.3
131.08237	2.8
137.02449	33.0
142.99860	23.6
143.03499	4.0
155.03491	12.2
173.00967	7.9
173.04543	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78024	1.9
58.00592	8.3
68.23747	1.9
69.03456	20.7
70.47913	3.9
71.05033	11.7
84.59536	2.2
93.03456	4.2
97.02951	100.0
97.03581	5.0
98.03309	2.7
99.04514	3.7
101.06077	30.6
113.02442	14.6
141.01950	7.0
172.83022	2.5
173.04581	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01870	2.6
57.03441	1.5
58.00587	1.8
59.01374	2.7
65.03944	3.1
67.01868	1.1
69.03447	2.4
69.30579	1.5
69.30975	1.8
69.87045	0.6
71.01372	8.1
71.05018	1.3
72.99300	7.8
73.02945	41.1
81.03454	6.5
83.01374	0.8
83.05019	18.8
83.05485	1.4
85.02941	7.2
93.03456	100.0
94.03796	2.2
99.00871	11.6
99.04508	13.2
101.02435	0.9
107.19073	0.6
109.02946	1.1
111.00919	1.4
111.04518	30.6
112.04878	1.0
117.00450	1.1
129.01929	4.3
130.89731	1.2
131.08275	1.8
137.02446	22.5
143.03488	3.7
154.94725	2.0
155.03503	8.5
173.04538	12.8
186.39249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
57.03440	0.9
59.01379	95.6
62.44484	0.5
67.01881	1.9
69.03444	1.5
69.75237	1.5
71.01377	1.9
71.04984	0.5
72.99323	0.6
73.02946	1.2
73.53584	0.5
83.05034	1.5
85.02976	1.0
85.06589	23.5
91.05347	0.6
93.03459	11.2
97.02946	1.5
97.06571	0.5
99.00801	1.6
99.04477	0.5
100.92549	0.8
101.06096	1.2
111.00874	1.1
111.04527	1.9
111.08156	7.7
113.02445	0.8
113.06090	14.4
129.01955	0.6
131.07141	100.0
132.07466	1.8
145.02950	0.7
145.04883	0.7
173.02371	0.6
173.04567	7.1
173.08235	4.5
173.11824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57158	0.3
57.03453	2.6
67.01891	5.0
70.42257	0.5
71.70177	0.3
72.99298	0.8
78.95901	3.1
79.89626	0.3
80.96341	0.7
83.01384	0.8
83.05017	0.3
83.06132	0.5
85.02454	0.5
85.02946	7.2
88.04034	0.3
93.03453	2.6
96.96007	10.0
96.96945	5.0
98.22463	0.4
98.95589	0.9
99.00885	0.4
111.00878	50.4
111.04507	0.9
112.01223	0.8
112.08855	0.4
113.07138	0.5
114.05624	1.7
117.25604	0.3
127.89861	0.3
128.72189	0.3
129.01924	1.4
131.08261	100.0
132.08646	1.9
146.15247	0.3
154.99831	1.0
156.07790	3.1
173.00917	0.7
173.04517	1.1
173.10449	6.0
173.12794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1044
Annotation	L-Arginine
Peak:m/z	Relative Intensity
54.42867	0.3
58.04085	0.4
60.66978	0.2
69.03455	0.3
71.08183	0.4
73.02949	0.3
83.06155	0.3
85.02940	1.1
85.07732	0.4
93.03429	1.1
107.91767	0.2
111.00857	0.7
111.04533	0.4
112.08788	0.3
113.07159	0.3
114.05605	1.3
126.46932	0.2
131.08263	100.0
132.08681	1.3
132.55254	0.3
156.07773	2.9
173.04552	0.4
173.10429	6.7
173.12773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1182
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
51.03133	0.3
52.93861	0.3
59.01373	0.5
67.01880	0.8
69.03449	0.3
69.21553	1.2
71.01372	0.6
73.02924	0.7
80.98579	0.3
83.01437	0.3
83.05017	0.7
85.02958	0.6
86.42639	0.3
87.76147	0.2
88.36858	0.2
88.78629	0.3
93.03450	4.0
99.00896	0.5
99.92561	0.3
100.92587	0.5
104.45657	0.3
111.00890	0.4
111.04497	0.8
111.08167	1.5
125.09734	0.4
127.11292	10.1
129.09213	0.9
130.06610	1.1
131.07263	0.3
131.08266	4.7
137.02437	0.3
155.10754	2.0
157.72168	0.3
162.63585	0.3
171.10295	1.1
172.83049	6.1
173.11816	100.0
174.01920	0.4
174.12137	2.9
192.66444	0.2
193.86205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0559
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
59.01377	4.8
68.89391	0.6
69.03458	0.6
69.13987	3.5
87.00881	7.4
116.05058	31.9
117.05405	0.9
128.05064	20.9
129.05429	0.8
130.06621	58.5
131.06955	2.3
131.08113	0.7
132.98160	0.9
144.04538	7.2
146.06117	46.7
147.06439	2.1
151.73399	0.6
156.04544	7.2
167.42540	0.7
172.03990	3.5
174.02042	1.9
174.05597	100.0
175.05957	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	175.0247
Annotation	Parapyruvate
Peak:m/z	Relative Intensity
57.03449	4.3
66.03468	0.9
68.05029	0.7
69.03453	16.6
69.22386	1.9
72.00912	9.3
84.82722	0.4
85.02943	3.2
87.00875	100.0
88.01221	0.8
111.00842	0.5
112.01649	1.0
113.02440	9.3
114.05611	6.7
130.05099	0.6
130.84872	0.4
140.03459	0.5
157.01411	2.3
158.04584	34.3
175.02444	1.3
176.05637	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	175.0247
Annotation	(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate
Peak:m/z	Relative Intensity
57.03450	1.7
59.01398	0.4
62.93557	0.2
67.01883	0.3
69.03454	16.0
69.08777	0.2
69.73170	0.2
71.01370	0.3
72.00903	2.2
72.99305	0.3
85.02949	2.9
87.00873	100.0
88.01212	1.0
103.03951	0.2
111.00867	0.4
112.01648	0.8
113.02445	7.3
114.05615	2.1
129.01924	0.3
147.02995	0.6
157.01389	1.5
158.04584	8.5
161.87790	0.2
175.02451	1.2
175.06137	0.4
176.05742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11901	0.2
51.31633	0.2
51.46381	0.2
57.03454	1.1
59.01379	0.3
66.08537	0.2
67.01879	0.4
69.03452	15.9
70.03764	0.3
70.81533	0.4
72.00903	1.4
85.02949	2.9
87.00873	100.0
88.01226	1.1
90.09692	0.2
105.23714	0.2
112.01690	1.1
113.02443	6.8
114.05594	1.3
147.02994	0.4
156.20444	0.3
157.01405	2.2
158.04591	5.5
169.97791	0.2
175.02463	1.2
175.06110	0.3
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
51.43172	0.5
55.01863	0.7
55.74167	0.5
57.03442	1.7
59.01376	20.2
59.85479	0.5
61.84071	0.4
69.03451	2.0
69.48102	2.2
71.01389	0.6
71.05014	1.0
72.00906	2.1
85.02950	1.0
85.06586	43.1
86.06924	0.9
87.00869	7.1
87.04537	1.2
90.93333	0.5
93.03439	1.3
102.78436	0.5
108.99383	0.5
110.18624	0.5
113.02451	1.0
113.06086	39.0
114.05617	1.3
114.06390	0.9
115.04008	100.0
115.92052	0.7
116.04362	2.0
116.92871	1.6
129.05574	1.6
131.07141	8.9
132.98167	5.2
135.04547	3.7
146.79169	0.5
157.01440	0.5
157.05049	9.6
158.04552	5.6
169.38733	0.5
174.82851	1.4
174.88966	0.8
174.99220	2.3
175.06114	61.5
176.03943	1.0
176.06415	1.4
179.03442	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	176.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40912	0.7
57.03446	3.1
59.01375	2.2
66.03484	0.8
67.01889	5.3
69.03445	2.3
69.97888	1.9
70.00848	0.6
71.01392	1.4
72.00909	0.8
76.89231	0.6
81.03453	3.1
83.05025	2.3
85.02942	5.4
87.00883	9.4
88.01204	1.3
93.03456	17.7
95.01366	0.7
99.04532	1.2
105.03448	1.4
107.05039	1.4
108.02155	3.7
109.02961	8.8
111.04532	4.8
114.05613	1.1
115.04064	0.7
123.99732	0.6
127.04021	1.0
129.01952	4.7
133.02963	4.1
133.06575	1.5
134.03728	6.6
135.04526	100.0
136.04823	4.4
137.02472	1.5
155.03526	1.3
158.04565	6.2
161.02484	1.6
162.03264	1.7
167.03467	0.6
173.04501	0.7
176.04005	15.3
176.54214	0.7
177.01921	1.3
177.09320	0.6
179.03490	73.6
180.03864	3.6
186.31960	0.7
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	Unknow
Peak:m/z	Relative Intensity
56.05033	0.2
57.03446	16.2
58.03778	0.2
60.04903	0.1
66.03482	3.5
68.05052	4.4
69.03455	5.8
71.01388	0.4
71.05012	0.3
71.30238	0.2
72.00906	32.3
73.01226	0.2
73.17915	0.2
75.45995	0.2
85.02946	1.1
86.02480	0.4
86.06126	1.6
86.94777	0.1
87.00876	0.4
87.04513	0.8
92.72127	0.1
96.04554	1.1
97.02956	0.9
112.04039	0.4
113.02453	10.3
114.05606	27.7
115.03996	0.3
115.05962	0.4
119.41405	0.2
130.05098	3.6
132.06662	0.6
140.03546	2.2
141.01920	0.2
158.04590	100.0
159.04973	2.2
176.05644	3.9
187.67657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	17.2
58.03785	0.4
59.01373	2.3
66.03490	3.9
68.05045	4.2
69.03452	6.5
69.62997	0.4
69.63330	1.5
71.01378	1.5
71.05020	1.2
72.00909	31.0
72.99313	2.2
85.02938	2.2
86.06136	1.1
86.06934	0.7
87.00869	4.1
87.04514	0.6
88.01209	2.7
90.23888	0.5
93.03456	0.4
96.04562	1.2
97.02946	3.5
113.02457	11.5
113.04968	0.4
114.05610	26.0
115.04001	4.4
118.98098	1.5
125.55598	0.4
130.05090	3.3
131.03513	1.4
135.04543	1.6
140.03583	2.3
141.01933	4.8
158.04585	100.0
159.02986	13.7
159.04930	2.5
176.05446	3.3
177.04030	1.2
179.03525	1.2
179.47105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	Daphnetin
Peak:m/z	Relative Intensity
57.03460	0.3
59.01375	1.1
59.51078	0.2
60.41097	0.2
60.77693	0.2
61.87941	0.2
66.81910	0.2
66.87534	0.2
69.62501	0.2
71.01385	0.8
71.40604	0.2
72.99341	0.2
77.03962	0.7
81.03457	1.9
85.02928	0.2
85.79372	0.2
87.00887	0.3
89.02491	0.2
89.03967	6.8
93.03467	1.6
95.05023	1.2
97.02889	0.3
99.00909	0.5
105.03458	12.9
106.03809	0.3
107.01392	0.6
109.02967	0.3
113.02460	0.3
115.04043	0.3
121.02956	1.4
129.01944	0.4
133.02951	27.0
134.03314	0.6
135.00858	0.2
135.04515	0.5
136.04857	0.6
139.04008	0.7
149.02432	4.6
150.00862	0.2
159.02998	1.0
159.04239	0.2
162.03197	1.7
177.01918	100.0
178.02267	3.5
179.03505	0.2
180.03850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98838	0.3
62.00703	0.1
69.35208	0.1
70.84044	0.3
71.01400	0.2
74.47842	0.1
74.97060	0.1
79.95728	0.3
81.25315	0.1
87.00879	0.6
95.95231	0.2
96.96023	0.2
99.00903	0.1
119.93719	3.4
120.93828	0.2
134.96091	30.9
135.96153	1.3
136.94009	100.0
137.94084	4.0
138.94394	0.2
151.92719	9.7
152.92795	0.4
154.95058	0.4
161.04568	0.5
178.95061	65.0
179.05621	0.4
179.95163	3.9
181.79044	0.1
196.96094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.25592	0.2
59.01377	1.8
69.96331	0.6
71.01379	1.0
73.02941	0.3
85.02952	0.3
87.00889	1.1
89.02410	0.4
91.05532	0.5
97.02930	0.2
101.02446	0.2
107.05016	1.6
117.03449	0.5
125.02458	0.3
134.03745	5.2
135.04520	100.0
136.04823	2.4
160.77281	0.2
161.04559	0.7
176.76952	0.2
179.03497	19.4
179.05482	0.7
180.03836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Aspirin
Peak:m/z	Relative Intensity
57.03460	0.5
59.01379	17.0
63.02423	0.5
65.90338	0.5
69.28983	2.2
71.01380	10.8
73.02943	0.9
83.01400	0.7
85.02969	2.2
86.71922	0.4
87.00876	5.4
87.33538	0.4
89.02443	5.1
91.05533	44.5
92.02688	0.6
92.05858	0.5
93.03490	0.8
95.01382	0.6
96.96037	0.9
98.21882	1.1
99.00874	1.0
101.02438	1.8
107.05023	2.3
108.02223	0.7
108.15704	0.5
113.02441	1.2
117.01926	0.6
121.02979	0.7
125.02450	0.5
130.22507	0.5
135.04523	100.0
136.01682	1.4
136.04869	2.6
137.32094	0.4
141.01941	0.8
151.00366	0.8
151.03944	0.5
151.07637	0.7
159.03073	0.6
161.04559	2.9
164.01167	0.6
178.84326	0.6
179.03494	13.8
179.05664	3.6
179.07034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Aspirin
Peak:m/z	Relative Intensity
58.35784	0.5
59.01379	23.4
65.36343	0.4
71.01382	15.2
71.42270	0.4
71.96947	0.4
72.99319	0.6
73.02945	0.7
80.27670	0.5
83.01395	0.9
85.02943	2.2
87.00884	5.6
89.02441	7.4
91.05533	37.1
92.05882	1.4
93.03472	0.7
96.96013	1.5
97.02938	0.9
99.00880	1.3
101.02448	2.2
107.01391	0.7
107.05046	0.9
108.02200	0.7
113.02434	1.5
117.01968	1.5
118.99299	0.7
125.02450	1.3
135.04526	100.0
136.04861	2.5
151.00400	1.3
159.03075	0.5
161.04517	3.5
164.01144	1.2
178.99902	1.3
179.01852	0.7
179.03522	12.5
179.05603	6.0
179.07056	0.9
193.02963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
55.01871	1.5
57.03444	1.8
58.00584	2.1
59.01380	98.2
69.03449	2.0
71.01382	63.6
71.05012	3.1
72.99304	8.1
73.02939	10.5
75.00871	100.0
76.01209	1.0
81.03463	4.6
83.01371	2.8
85.02948	12.1
87.00882	28.0
89.02443	28.7
95.01388	2.8
95.92160	0.7
97.02956	3.6
99.00879	15.6
99.04536	1.7
101.02448	5.9
104.03558	2.0
105.01941	1.4
105.03857	1.2
113.02458	5.6
117.01948	3.6
125.02471	5.8
141.01964	1.6
143.03505	10.2
161.04558	23.9
171.84851	0.9
179.05614	84.9
180.06041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0666
Annotation	Tyrosine
Peak:m/z	Relative Intensity
52.76422	1.3
55.78456	1.3
59.01368	4.4
71.01371	1.7
72.00911	23.7
72.01713	1.7
74.02455	4.1
87.04503	1.6
93.03452	21.1
98.22707	3.0
106.03525	1.4
106.04224	3.9
107.04986	2.5
119.05025	64.5
120.05376	1.6
121.86401	1.2
123.65919	1.2
125.37479	1.3
134.06073	1.7
135.96185	2.3
136.07687	5.1
137.94073	6.0
162.05559	2.5
163.04004	71.9
179.95158	5.0
180.06654	100.0
181.07062	3.6
195.67812	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	181.0142
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
55.01872	1.8
58.12938	1.0
65.00320	13.0
67.01878	4.1
69.60149	2.9
78.01100	3.5
81.03457	21.4
85.93884	0.9
91.35806	1.0
93.03458	10.8
95.01392	4.0
98.22562	1.9
100.01767	1.0
105.53673	1.1
109.02954	13.3
120.99306	4.0
122.00103	26.3
123.00881	12.4
137.02441	100.0
138.02798	1.7
144.44356	1.0
151.00409	2.6
153.01910	2.3
155.03487	21.9
166.02701	3.6
166.99860	4.1
181.01437	5.7
181.04971	2.0
182.02144	1.5
183.82727	0.9
195.27629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0142
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
50.75645	1.0
50.91388	0.9
54.10406	0.8
55.01873	1.5
55.82650	0.7
61.59106	0.8
63.02393	1.3
65.00326	10.8
67.01886	4.2
69.59758	1.6
69.60152	2.0
71.01384	1.0
74.58016	0.8
78.01111	2.9
81.03452	21.7
93.03446	8.5
95.01385	2.7
105.39133	0.9
108.02107	1.3
109.02954	12.3
119.28889	0.8
120.99324	4.9
122.00111	20.9
123.00911	9.2
125.02431	1.0
137.02438	100.0
138.02794	2.0
142.42116	1.0
148.63365	0.8
151.00420	1.8
152.40559	1.1
153.01949	1.8
155.03497	21.2
155.04723	1.5
155.50783	0.9
166.02702	2.0
166.99870	2.6
181.01364	6.9
182.02129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0142
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
50.21205	0.9
54.46096	0.8
55.01883	1.5
55.30659	0.8
59.01370	2.9
63.02386	1.8
65.00330	10.9
67.01897	5.1
67.92122	0.8
69.53074	2.9
71.01374	2.2
74.26865	0.9
78.01111	2.4
81.03460	18.9
89.02427	1.0
93.03451	12.4
95.01388	5.8
98.21936	1.7
101.02438	2.0
108.02162	1.1
109.02954	12.0
119.05008	1.4
120.99355	6.2
121.02952	1.0
122.00095	21.7
122.99472	0.9
123.00894	16.8
125.02390	0.9
131.32904	1.0
137.02443	100.0
137.06001	1.8
138.02821	1.1
148.53979	1.0
149.42531	0.8
151.00368	7.4
152.40469	0.9
153.01906	2.5
154.55624	0.9
155.03499	21.4
166.02722	9.3
166.99879	7.3
181.01425	7.0
181.05032	3.5
181.07263	2.0
181.08720	1.1
182.02167	1.7
183.76379	0.8
203.56255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0505
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
59.01391	1.7
62.50370	0.4
67.01880	0.5
69.35497	1.9
71.01389	1.2
73.02964	0.3
85.28864	0.4
89.02467	0.9
95.01373	0.4
101.02452	1.1
109.02936	0.4
109.05842	0.4
109.06593	0.5
123.00877	14.6
137.02423	0.6
137.09724	1.0
151.00365	84.4
152.00665	2.0
158.66887	0.4
165.01909	2.2
165.60930	0.4
166.02704	100.0
167.02997	2.9
177.44351	0.5
181.05052	17.7
181.06842	0.6
181.07259	0.9
185.60626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Veratric acid
Peak:m/z	Relative Intensity
50.83070	0.2
51.58720	0.2
52.60961	0.2
52.73496	0.2
58.71337	0.2
59.01377	2.0
59.51731	0.2
69.13022	0.2
71.01383	1.0
71.69881	0.2
73.02966	0.4
81.43817	0.2
89.02460	0.9
93.03471	0.6
95.01380	0.3
98.22691	0.4
101.02449	1.0
107.05038	0.3
108.02161	0.7
109.02959	0.9
110.02496	0.2
113.02500	0.2
119.05028	0.5
120.98878	0.6
121.02935	1.4
122.03742	15.3
123.00898	0.6
123.04044	0.2
123.66551	0.2
124.01636	1.1
135.04530	1.8
136.01643	3.5
137.02580	1.7
137.06084	100.0
138.06433	2.5
145.02927	0.4
151.00366	2.2
153.01961	0.3
154.89603	0.2
163.04008	21.4
164.04343	0.7
166.02701	2.5
166.06364	0.5
171.90326	0.2
181.05063	29.8
181.07040	1.1
182.05464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
50.59570	3.7
52.03008	3.6
59.01374	22.8
65.00309	8.7
71.01371	16.1
72.58568	4.6
73.02949	11.7
78.61263	4.0
79.55934	4.4
89.02447	10.9
93.03457	6.2
99.29648	3.5
101.02434	15.3
109.02908	6.0
115.68690	3.9
120.98929	4.0
122.03696	5.1
123.00890	8.8
133.25758	3.7
137.02452	6.8
137.09746	6.7
143.12767	4.0
151.00345	43.7
152.03528	15.8
166.02715	64.6
180.03029	13.4
181.05054	11.5
181.07188	22.0
181.12338	100.0
182.04602	21.7
188.65172	4.3
189.17159	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	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
69.03445	0.4
69.51488	0.9
74.77301	0.3
75.50249	0.3
79.09795	0.3
92.05054	3.6
93.87045	0.4
94.02968	1.2
95.01400	0.7
96.61028	0.4
96.95982	0.4
98.22692	0.4
108.04551	49.8
109.04890	1.1
110.02512	0.3
110.06121	0.5
112.04016	0.5
115.04007	1.0
120.04552	4.2
123.00891	1.2
123.03251	1.4
136.04030	1.3
137.02220	1.4
138.05605	100.0
139.05989	2.4
143.03500	2.1
149.43886	0.3
166.99889	0.7
167.03075	0.4
182.04568	26.5
183.02838	1.3
183.04807	0.8
200.16719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1186
Annotation	3alpha-Acetoxytropane
Peak:m/z	Relative Intensity
50.73462	1.3
50.80297	1.3
52.90261	1.3
57.00591	1.3
66.03477	1.3
80.05040	2.0
96.96013	1.4
112.98608	1.5
122.09769	3.6
130.73065	1.4
136.11345	8.3
138.01991	2.6
138.12885	100.0
139.13206	3.8
152.00749	1.5
154.12350	2.4
181.93013	6.6
182.04573	1.6
182.11842	43.1
183.10277	1.6
183.12198	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	183.1026
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
52.57780	1.3
57.03446	100.0
59.01370	4.0
61.31837	1.3
61.98835	1.7
68.99550	7.3
69.03465	7.3
71.05013	4.6
76.14851	1.4
79.95489	1.5
81.20660	1.4
95.01371	2.8
95.04945	1.8
111.00859	3.9
111.08170	2.1
112.98597	9.2
123.00901	4.7
123.08160	9.5
124.01643	2.1
139.00366	2.2
139.11292	45.9
153.00662	3.9
165.01927	2.6
165.09241	3.1
167.99336	5.7
168.00603	3.0
181.56166	1.7
182.86031	3.1
183.00481	19.2
183.02931	2.1
183.10233	23.5
183.13783	2.1
184.00949	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	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50320	4.1
57.41658	5.5
59.01367	10.9
59.32000	3.9
69.91832	8.2
69.92192	10.8
70.03162	4.5
104.84354	5.0
129.07678	4.8
130.07419	4.4
140.02052	45.8
140.89650	6.5
141.04025	5.3
142.00006	7.4
172.47052	4.3
178.23672	4.5
184.01018	100.0
185.01205	7.2
197.64154	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	185.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
59.01360	5.1
60.60307	1.3
67.01865	4.7
69.03453	8.6
71.01342	1.2
71.04974	1.2
73.02946	40.2
78.95911	10.0
84.82557	1.2
85.02951	16.4
87.00864	6.1
93.91709	1.2
95.05000	10.1
96.96965	5.6
97.06596	21.7
99.00879	72.6
99.04509	1.7
110.98537	3.6
111.00881	100.0
118.53793	1.5
123.04527	3.4
140.89613	2.1
141.01910	1.3
141.05580	57.0
141.09224	4.5
141.10275	3.4
142.08737	3.2
142.96677	1.5
167.03452	2.5
185.01097	3.7
185.02950	2.1
185.04532	13.3
185.09422	6.4
185.11836	6.0
185.15497	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	185.0931
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
50.83343	2.1
59.01365	7.5
63.57133	2.0
68.05067	5.0
68.99841	2.4
69.03434	2.7
69.21985	10.1
78.95891	2.5
81.27946	1.8
93.03640	2.2
97.06593	2.1
98.22686	3.9
103.53638	2.2
111.00870	2.6
116.27449	2.3
123.08163	3.4
125.87310	2.2
140.89656	3.5
141.09258	4.4
141.10327	33.8
142.08730	29.4
142.96715	2.5
185.09334	100.0
185.11913	6.9
185.15266	3.0
186.09575	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	186.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22893	0.3
58.02979	3.7
59.01381	2.3
65.45686	0.3
66.03460	0.3
68.04707	0.6
68.05047	4.8
70.06618	0.3
71.01384	0.4
77.62455	0.3
114.09245	100.0
115.09595	1.2
125.09750	0.3
144.10304	35.6
145.10622	1.0
147.79379	0.3
186.11356	5.2
202.38435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
58.00577	0.9
59.01381	5.5
67.01891	11.9
69.93903	0.4
70.34573	0.9
71.04994	0.8
73.02944	17.3
73.04070	8.9
75.43825	0.5
81.03465	1.2
83.01363	1.3
85.02954	0.8
90.97114	0.9
95.05009	0.5
97.06600	0.8
98.21971	0.5
99.04523	7.9
99.08112	0.6
99.92610	0.6
111.00886	100.0
112.01237	1.0
113.09756	0.6
115.04043	0.8
125.06124	1.1
125.09734	2.2
127.04076	0.5
130.08748	23.1
131.08269	7.5
131.09126	0.9
132.98233	0.7
137.55647	0.6
141.12842	0.5
143.03506	15.1
143.07173	2.0
143.11902	11.6
151.75255	0.5
154.99876	1.3
159.01526	5.0
186.85672	0.8
186.95631	1.0
187.01120	0.6
187.02591	0.9
187.06264	1.4
187.10968	17.5
188.13031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.35920	1.0
55.01868	1.4
58.33479	0.9
59.01377	1.7
69.34656	2.3
69.35044	2.4
71.01369	9.4
72.99305	11.7
87.00887	1.6
97.06584	91.5
98.06895	1.5
99.00886	11.8
107.05030	2.5
107.08670	8.0
123.08161	24.9
125.09698	3.8
141.09227	3.0
151.07643	28.3
167.07167	1.7
169.08696	7.7
187.07820	3.3
187.09744	100.0
188.10060	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03444	3.1
59.01387	0.5
64.06130	0.4
69.03454	0.6
69.47836	1.6
79.95753	0.5
83.05044	0.5
84.08006	0.4
87.00877	3.8
95.05050	0.7
97.06579	11.2
107.94137	1.3
123.08168	5.4
125.09720	100.0
125.95309	0.5
126.10069	1.9
129.79521	0.5
143.10771	2.2
152.40146	0.4
165.74451	0.5
169.08751	2.2
172.05255	0.5
187.09749	53.5
187.89775	0.8
188.10150	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	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03438	0.4
59.01370	1.5
61.98822	2.8
71.01395	0.4
71.19260	0.3
99.92589	0.4
103.01514	0.3
103.63638	0.3
116.92842	0.3
125.09713	2.5
127.11299	3.5
132.98204	0.3
138.82367	0.2
141.12872	2.0
141.86809	7.7
142.89359	0.9
145.35663	0.2
159.01538	0.4
159.87837	2.1
169.12321	1.7
185.11862	0.8
186.88307	0.3
187.13387	100.0
187.86093	0.6
188.13721	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	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
58.00606	0.4
59.01365	1.5
61.98829	5.8
68.87041	0.4
69.84264	0.3
71.01384	0.4
71.05021	6.6
71.07840	0.6
74.90230	0.3
81.15456	0.3
85.06584	0.6
90.97114	0.4
97.06578	1.2
99.08150	6.0
99.92552	1.1
115.92122	0.3
125.09747	2.4
127.04057	0.3
127.87077	0.4
132.98154	0.5
140.61044	0.3
141.11778	0.8
141.12862	15.6
141.86826	13.0
142.89404	2.2
143.10832	0.4
151.11298	1.1
159.01501	0.5
159.87883	4.0
169.12325	1.7
175.93874	0.4
180.30991	0.3
185.11841	2.3
186.88376	0.5
187.13394	100.0
187.86070	1.1
188.13795	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	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
50.05928	0.5
59.01359	2.9
60.45213	0.5
61.98826	8.8
69.24091	2.3
69.24493	1.3
71.01392	1.0
79.78640	0.5
83.05025	2.3
85.06583	28.9
90.97119	0.9
97.06572	0.6
99.08166	1.7
99.92595	1.4
103.01486	0.6
106.35837	0.6
106.63541	0.6
125.09727	5.1
127.87004	1.3
139.11282	0.8
141.12848	37.5
141.86809	23.3
142.89383	2.9
151.11295	1.5
153.49597	0.7
159.01511	1.2
159.57251	0.6
159.87840	7.7
169.12282	2.8
172.12885	0.6
185.11823	3.4
186.88223	0.8
187.01245	0.6
187.09976	3.1
187.13380	100.0
187.86115	2.1
188.13750	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1338
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	0.5
61.98829	4.6
69.75703	0.3
69.85401	0.6
72.67634	0.3
74.55516	0.3
98.22614	0.4
99.92622	0.4
100.53912	0.4
103.01486	1.0
122.89448	0.3
125.09673	1.5
127.87084	0.7
141.12820	0.7
141.86806	5.2
142.89369	1.8
159.01482	0.6
159.87817	1.7
187.09732	1.1
187.13396	15.9
187.86028	0.5
190.22220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0562
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
55.01871	1.3
57.03442	3.9
58.02971	1.3
58.88667	0.5
60.04517	0.8
60.72270	0.5
62.20115	0.5
66.03476	0.7
69.03445	0.8
70.02977	0.7
71.05020	1.4
72.00901	1.0
72.04526	5.2
73.02916	1.5
80.05065	0.6
82.02974	3.1
83.01379	8.3
84.00891	1.4
84.04525	0.8
84.61610	0.5
85.02943	2.2
86.02470	1.9
86.06107	6.4
86.74845	0.6
87.00864	1.3
94.02995	1.0
96.04547	8.4
98.02467	85.5
98.06094	3.3
99.02806	0.9
100.04034	1.1
104.03548	0.6
108.04534	4.2
112.04045	6.9
113.12702	0.6
114.05595	88.5
115.05927	1.3
115.75195	0.5
116.07151	14.8
119.67422	0.5
124.04036	12.7
125.04382	0.5
126.05598	13.0
142.05083	100.0
143.05394	1.4
144.06647	44.4
153.06685	0.8
170.04568	1.2
171.07729	2.8
188.05621	68.3
189.05943	1.0
189.08754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0403
Annotation	4-Hydroxy-2-oxo-heptanedioate
Peak:m/z	Relative Intensity
52.64872	0.5
54.61550	0.5
57.03433	0.7
59.01358	1.1
63.39225	0.5
69.03450	1.6
69.83341	1.5
69.98856	0.5
85.02942	5.5
87.00870	100.0
88.01231	0.6
101.02456	1.7
107.94375	0.5
109.54330	0.5
112.01659	0.6
113.02423	1.5
124.24850	0.6
189.04117	0.6
189.07619	0.5
192.71274	0.5
206.58589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0768
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
59.01380	2.6
69.34552	0.5
69.37712	3.0
71.05009	3.5
72.90822	0.6
85.06586	0.8
98.22567	1.2
99.08150	38.3
100.08528	0.8
119.88810	0.5
127.07645	38.4
129.05574	100.0
130.05904	1.6
143.07123	0.6
145.08673	5.6
171.06631	7.4
173.00610	0.5
189.07674	53.3
190.08023	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	189.0768
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
50.45137	0.4
57.03444	1.9
58.30688	0.4
59.01374	3.6
66.50415	0.5
73.02957	0.7
73.61407	0.4
79.31925	0.4
83.05042	1.1
99.00872	0.5
99.08154	24.0
100.08530	0.6
101.06089	1.3
116.92912	0.5
120.04586	0.5
123.99776	0.4
125.84994	0.4
127.07651	28.2
128.07939	0.7
129.05579	100.0
130.05928	2.5
143.07100	0.6
143.10741	0.6
144.04512	1.0
145.08681	3.8
145.64108	0.5
164.03609	0.4
171.06616	6.1
189.03032	1.2
189.07681	50.9
190.08028	0.8
205.32704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0921
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
59.01366	2.4
61.98816	2.4
66.49343	0.7
69.13752	4.9
73.02941	1.2
83.05026	1.0
101.29653	0.9
106.04253	0.7
120.04596	1.6
124.19448	0.7
125.09785	0.8
127.11264	1.5
134.03723	1.1
142.86951	0.7
143.86478	3.7
146.02426	1.4
148.05305	62.5
149.05635	0.9
160.97612	1.0
161.87614	1.8
164.03482	0.9
171.10271	73.8
172.10635	2.0
174.06848	3.1
180.04272	24.1
189.03082	2.3
189.09204	100.0
190.09552	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	189.0921
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.58897	1.0
59.01370	4.8
61.98541	1.3
61.98834	13.9
66.51132	0.9
70.87540	1.3
73.02929	1.6
83.05025	1.7
94.84479	1.0
100.92549	1.1
114.48140	0.9
114.89471	0.9
115.74593	1.1
120.04520	3.4
121.21497	1.0
123.56038	1.1
125.50031	1.0
125.80272	1.0
127.00343	1.3
130.65469	0.9
134.03737	91.6
135.04088	1.4
142.86832	3.1
143.86526	17.9
146.02425	1.3
147.56490	1.1
160.87891	1.0
160.97702	2.2
161.02362	1.1
161.87556	8.0
164.03523	1.1
166.02708	20.2
167.03033	1.1
188.85419	1.2
189.03171	2.7
189.09206	100.0
189.85796	1.5
190.09567	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	190.0509
Annotation	Desmethyldeschlorobenzoyl Indomethacin
Peak:m/z	Relative Intensity
52.05172	0.2
58.43461	0.2
59.01377	0.9
66.03443	0.2
69.30631	1.0
75.33768	0.2
85.02962	1.7
87.00866	1.0
88.16982	0.2
93.03464	0.5
111.00885	1.6
118.02992	0.7
118.06619	0.7
118.99342	0.3
119.05002	0.2
120.04551	1.5
127.32637	0.2
131.03769	3.8
134.03394	0.2
143.86543	0.4
144.04550	13.6
145.05032	0.4
146.06113	100.0
147.06464	2.4
156.12961	0.2
164.03531	0.5
172.04024	2.6
188.03558	0.4
190.01433	0.4
190.05055	1.0
191.05621	5.5
191.07330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03448	5.3
59.01370	1.0
63.22915	0.5
63.70420	0.5
67.01885	3.4
69.47243	1.6
69.47654	1.0
73.88038	0.5
85.02947	29.3
86.87187	0.6
87.00877	48.0
87.76745	0.5
93.03442	0.5
96.65723	0.5
111.00880	100.0
112.01222	1.1
129.01933	4.6
130.99831	0.8
136.46320	0.5
154.99915	0.8
173.00879	1.7
191.01982	11.0
191.05605	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51645	2.3
57.03449	4.4
67.01894	2.7
71.01388	3.7
71.43490	2.4
74.66573	2.4
77.11887	2.7
78.91902	2.4
85.00449	3.0
85.02951	38.9
87.00877	45.0
91.01868	2.8
92.01396	2.6
93.03439	6.0
102.72213	3.0
111.00883	100.0
116.92892	5.9
118.98064	4.2
119.01382	5.4
127.04009	3.6
129.01978	3.4
147.00879	5.3
148.92415	3.7
163.00328	5.2
165.01979	2.6
174.89015	5.4
176.12292	2.4
190.88483	11.7
190.99908	5.1
191.01952	12.6
191.05614	62.9
191.10834	4.1
191.52374	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Citric acid
Peak:m/z	Relative Intensity
52.53553	0.4
57.03443	7.1
59.01377	11.7
59.91678	0.4
60.99201	0.4
65.37580	0.4
66.28246	0.4
67.01873	2.8
71.01382	7.3
73.02949	3.9
74.70313	0.4
75.00875	1.4
80.23490	0.5
83.01408	0.6
85.02950	36.7
87.00877	49.1
89.02446	1.9
93.03478	0.9
93.57455	0.4
101.02453	4.4
103.03999	0.5
108.13993	0.5
111.00881	100.0
112.01212	1.7
113.02447	17.8
114.45601	0.5
117.01936	0.7
118.99318	0.6
127.04054	0.5
129.01942	5.7
131.03485	2.2
137.54807	0.5
147.02982	0.9
148.94124	0.4
154.99876	0.7
173.00874	1.6
191.02008	11.7
191.03566	0.6
191.05608	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37026	0.4
55.65180	0.4
57.03445	6.0
59.01376	0.5
60.76583	0.4
67.01888	3.6
69.47994	1.6
72.99304	0.4
73.02959	0.4
77.18732	0.4
85.02950	29.8
87.00875	47.4
88.01202	0.5
96.49627	0.4
97.98117	0.4
101.02444	0.4
102.47170	0.4
103.04062	0.4
111.00883	100.0
112.01234	1.4
121.97163	0.4
123.62000	0.4
129.01955	5.8
130.99844	1.0
147.02936	0.4
154.99873	0.5
173.00932	2.2
191.01982	12.3
191.05638	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
50.77781	0.2
57.03424	0.5
59.01385	1.5
65.84458	0.2
67.01875	0.4
69.10236	1.7
85.02942	3.6
87.00871	3.5
90.29591	0.2
93.03492	0.3
111.00880	9.0
111.01658	0.5
118.99284	1.3
119.05017	0.9
120.04537	0.3
121.02952	100.0
122.03297	1.9
129.01941	0.5
147.04515	5.9
163.00394	0.3
163.04012	0.4
173.00821	0.4
176.01134	0.4
190.97760	0.4
191.01978	0.9
191.03525	7.4
191.05614	6.9
191.10776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12662	0.3
56.29818	0.3
57.03442	2.8
59.01376	5.6
67.01888	2.5
69.03440	0.4
69.76050	1.0
71.01384	2.6
71.05030	0.3
72.99302	1.2
73.02940	1.9
74.57964	0.3
79.91414	0.2
81.03454	1.1
82.07753	0.3
83.05016	1.3
85.02949	31.9
86.03290	0.4
87.00875	21.3
88.01201	0.3
93.03456	7.5
98.21921	0.6
99.00889	1.3
99.04522	1.2
101.02471	0.8
109.02983	1.7
111.00881	35.4
111.04505	2.4
112.01199	0.5
113.02441	0.3
117.01928	0.9
125.02458	0.3
127.03131	0.5
127.04008	5.2
129.01961	2.3
129.05566	0.7
131.03487	0.4
133.01462	0.4
137.02496	0.4
148.94954	0.6
154.99847	0.5
155.03506	0.7
167.23582	0.3
171.02924	1.1
173.00888	1.1
173.04550	3.0
182.24680	0.4
191.02083	3.9
191.05605	100.0
192.05969	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03442	0.6
59.01373	2.8
60.99296	0.3
67.01871	0.8
67.78532	0.2
69.03458	0.3
69.34492	0.2
70.47342	0.3
71.01372	1.6
73.02950	0.8
81.03449	0.7
83.05039	0.6
85.02949	20.4
86.03287	0.4
87.00874	7.4
90.98616	0.3
91.57115	0.3
93.03458	6.3
94.03809	0.3
94.64018	0.2
99.00866	0.3
99.04519	0.7
101.02468	0.3
101.78741	0.2
109.02956	1.6
111.00877	7.1
111.04518	2.1
127.04008	4.3
129.01930	0.6
137.02377	0.3
155.03540	0.4
171.02982	1.0
173.04568	2.1
191.05605	100.0
192.05957	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	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39100	0.3
57.03435	1.2
59.01378	5.8
67.01899	0.5
69.03460	0.8
69.07036	0.6
69.07438	2.1
71.01378	1.5
73.02943	1.2
81.03448	0.8
83.05037	0.9
85.02946	22.9
87.00871	6.8
93.03455	6.3
97.02948	0.4
99.00863	0.4
99.04515	0.6
101.02451	0.4
109.02954	1.4
111.00880	8.0
111.04521	1.9
113.02496	0.4
118.99280	1.2
127.04020	4.1
129.01924	0.8
131.03574	0.4
137.02536	0.6
163.00462	0.3
171.03003	1.3
173.00937	0.3
173.04550	2.0
174.02103	0.3
176.01122	0.5
191.05597	100.0
192.05989	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	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03448	4.3
59.01378	4.1
67.01897	2.6
67.03394	0.3
67.03743	0.3
69.03452	0.9
70.75788	0.5
71.01381	1.8
71.05036	0.3
72.99289	0.3
73.02943	1.2
81.03458	1.3
83.05025	1.0
85.02950	34.7
86.03293	0.5
87.00876	29.1
93.03458	8.0
98.65402	0.3
99.00871	0.5
99.04524	0.7
101.02470	0.5
109.02930	1.9
111.00880	49.8
111.04517	2.3
112.01202	1.0
113.02431	0.3
117.01942	0.5
127.04020	4.5
129.01939	3.0
137.02441	0.5
153.01956	0.3
154.99916	0.4
155.03452	0.4
171.02983	1.4
173.00928	0.9
173.04520	2.2
191.02037	6.1
191.05609	100.0
192.05971	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74118	0.3
57.03450	4.2
59.01380	6.2
65.79125	0.4
65.95770	0.3
67.01893	2.0
69.03461	0.8
69.74236	1.2
71.01383	3.0
71.05001	0.6
72.99300	1.4
73.02930	1.5
81.03457	1.2
83.01405	0.5
83.05015	1.5
85.02947	31.9
87.00876	21.8
87.01283	0.3
87.01440	0.4
93.03457	6.2
97.02941	0.9
99.00872	1.6
99.04511	0.8
101.02444	1.4
109.02953	1.8
111.00879	41.4
111.04501	3.1
112.01241	0.7
112.98787	1.9
113.02473	0.9
115.04009	1.1
127.03999	4.9
129.01941	2.6
129.05588	0.8
129.65475	0.3
131.03519	0.5
136.43961	0.3
138.63260	0.3
141.01906	1.0
148.94945	0.5
154.99825	0.5
155.03499	0.5
159.02995	3.9
171.02963	1.2
173.00972	0.6
173.04535	3.0
173.26149	0.4
183.73755	0.4
191.02055	5.6
191.05603	100.0
192.05975	2.7
201.73950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1078
Annotation	11,12,13-Trinor-4-amorphene-3,8-dione
Peak:m/z	Relative Intensity
57.03426	1.3
59.01384	1.8
67.01878	0.9
69.14780	0.3
71.01366	0.3
73.02938	0.6
76.35247	0.3
79.05526	2.0
81.03445	1.3
85.02449	0.6
85.02949	7.7
87.00874	9.8
93.03459	0.7
101.02382	0.4
104.02679	4.0
105.03443	0.6
105.07095	0.4
111.00877	20.7
118.04263	1.5
118.99289	1.1
129.01941	1.3
129.07106	1.8
130.04237	8.5
131.05013	0.4
132.61223	0.3
143.05017	0.9
143.08609	1.4
145.06572	0.7
145.10233	6.1
146.10603	0.4
147.04509	0.8
155.08672	2.9
157.06580	10.5
157.07883	0.6
158.07393	1.8
171.08139	1.9
173.00948	0.5
173.09697	9.3
190.97800	0.5
191.02072	2.2
191.05681	6.7
191.10767	100.0
192.11095	3.6
207.20065	0.3
210.24278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85954	0.3
55.75846	0.3
55.77163	0.4
69.28935	1.7
72.31995	0.3
89.03966	5.8
96.97631	0.4
106.04224	0.6
107.78594	0.4
117.03464	11.0
134.03738	100.0
135.04070	2.3
149.06087	5.2
178.02736	1.0
193.05038	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	193.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83000	0.3
69.28766	1.4
89.03968	5.1
106.04258	0.7
117.03464	11.7
134.03738	100.0
134.93452	0.3
135.04070	1.6
149.06071	3.9
165.58461	0.3
178.02745	0.8
193.05040	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05663	0.4
69.28667	1.3
69.29073	0.8
89.03970	5.6
103.25137	0.3
106.04227	0.9
109.43881	0.4
117.03467	12.3
121.12016	0.4
134.03737	100.0
135.04068	1.7
149.06068	4.6
178.02725	0.9
193.05038	11.5
193.06738	0.7
203.35262	0.4
205.07860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
58.39351	0.4
59.01390	0.7
59.75044	0.4
61.28341	0.4
68.63904	0.4
71.01383	0.7
73.02934	0.8
80.62125	0.5
85.02943	1.3
87.00855	0.5
89.03961	3.8
93.03479	0.5
101.02431	1.0
111.00878	0.8
117.03465	9.7
133.02946	0.9
134.03740	100.0
135.04068	1.9
137.02422	0.9
149.02412	0.6
149.06088	6.4
161.04541	1.5
164.84718	0.5
178.02716	6.4
183.65739	0.4
193.05055	14.3
193.06967	0.7
214.48160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
50.02241	0.5
56.07232	0.6
57.55225	0.4
69.20441	3.0
76.31247	0.5
106.04254	0.6
121.02942	1.4
126.41806	0.5
130.50447	0.5
133.02956	18.7
134.03745	35.0
135.04030	0.8
137.02446	5.7
139.04022	1.7
150.03290	0.7
153.29369	0.5
161.02444	28.2
162.02795	0.7
166.04091	0.5
178.02664	2.9
191.39305	0.5
193.05055	100.0
194.05421	2.9
195.20692	0.4
203.24443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
69.11965	2.7
89.85014	0.4
93.03473	1.0
106.04226	1.3
116.11533	0.4
117.03489	0.9
121.02956	1.5
133.02942	4.4
134.03741	100.0
135.04082	1.3
137.02437	7.8
139.04002	2.4
149.06081	18.1
150.03250	1.1
150.06367	0.5
153.72006	0.5
160.96570	0.4
168.41920	0.4
178.02718	51.9
179.03026	1.7
181.48933	0.4
181.77016	0.4
193.05058	24.6
194.05502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03428	4.3
59.01377	24.9
69.70381	5.8
70.07677	1.5
71.01368	10.5
72.99306	4.6
75.00871	100.0
85.02942	10.1
87.00874	17.6
89.02428	6.6
91.63080	1.7
99.00883	23.4
105.01920	8.3
111.00864	3.2
129.01945	41.4
147.02997	3.8
159.03000	8.9
177.04025	8.0
195.05096	76.7
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	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.49287	0.8
56.16914	0.7
59.01375	3.4
63.90066	0.7
63.93239	0.7
70.59409	0.8
75.00867	1.2
78.95889	1.2
80.18993	0.7
84.66740	0.8
89.49965	0.7
93.03443	4.7
96.96021	1.5
107.05025	1.7
108.02176	6.5
109.01445	0.7
109.02974	1.1
119.05025	38.3
120.05411	0.9
121.02954	5.7
122.03744	17.6
123.00914	1.9
123.04517	1.9
124.01637	1.6
125.02476	0.9
133.02948	1.1
133.06505	1.3
134.03748	1.2
135.04594	1.7
136.01627	2.1
136.04312	1.1
136.05296	12.8
137.02396	1.2
149.02444	16.2
150.03221	100.0
151.03712	2.3
151.07596	3.2
152.91742	3.3
152.94444	1.0
153.05515	1.0
163.03960	2.1
164.04794	4.6
165.05560	96.5
166.05893	1.5
176.89503	2.1
180.04279	14.7
181.00130	1.1
194.90604	3.2
194.92755	2.2
194.99344	0.9
195.01407	1.0
195.03006	5.5
195.04749	1.3
195.06615	19.6
195.10403	0.8
212.94029	0.7
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	Unknow
Peak:m/z	Relative Intensity
59.01378	9.3
67.26038	0.5
71.41915	0.6
77.82910	0.5
80.96501	0.6
84.65613	0.5
84.82389	0.6
91.05572	0.7
93.03465	0.7
96.23347	0.5
96.96007	0.7
104.02716	0.6
108.02172	2.3
119.05033	10.8
121.02956	29.0
121.03838	1.5
122.03748	0.7
123.04549	4.1
124.01669	2.0
125.02471	1.2
134.03751	2.3
135.00894	0.6
135.04529	24.5
136.05301	100.0
137.02444	0.6
137.05661	2.0
141.91003	0.6
141.98805	0.5
150.03194	4.1
151.04001	3.8
151.07632	3.4
152.91771	2.1
162.03232	0.7
165.01930	0.9
165.05568	2.8
167.90454	0.7
176.89447	0.8
177.05580	1.7
180.04317	1.4
194.90596	1.9
194.92850	1.1
195.06618	77.3
196.07011	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
69.30601	1.4
78.25085	0.3
83.87291	0.3
86.57523	0.3
98.21930	0.5
109.06591	4.5
111.08156	3.3
122.03725	0.5
125.09718	0.7
135.11855	0.4
138.06868	2.4
150.03154	0.3
152.91750	1.2
152.94493	0.5
160.84213	9.9
167.14426	6.6
179.09268	0.5
179.10756	4.3
180.11420	0.3
195.13907	100.0
195.81107	3.7
196.14253	3.1
209.09773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.9856
Annotation	dihydroxyacetone phosphate acyl ester
Peak:m/z	Relative Intensity
55.58665	1.7
69.81657	6.3
73.60110	1.4
85.02941	5.4
87.04500	4.0
94.89916	1.6
102.94389	4.7
108.24696	1.6
111.00776	2.1
112.01678	4.1
140.01094	2.5
144.46198	1.5
152.99562	3.0
166.97662	2.0
186.54939	2.0
192.74792	1.6
196.98566	100.0
197.98950	2.7
198.01721	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	197.0202
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00319	0.9
56.26398	0.7
58.34973	0.7
64.00645	0.6
64.01915	0.8
65.01439	0.6
65.99844	2.8
69.48321	0.6
71.41714	0.8
76.01923	2.6
78.03484	3.5
89.01427	0.6
92.99812	1.2
94.02984	1.5
95.01375	3.0
104.01416	2.9
105.02190	0.7
106.02998	1.2
108.02164	1.0
109.01692	1.0
109.02937	3.4
116.21910	0.7
116.92849	0.9
119.02477	0.9
120.00903	2.2
121.02980	1.6
122.02507	1.1
123.00883	7.1
123.03250	1.6
125.93641	1.0
126.90485	2.5
132.00874	1.0
133.01718	3.1
136.00427	0.8
137.01196	1.6
137.02423	2.1
138.01994	2.1
138.03122	1.5
139.00391	0.8
150.01950	6.4
151.02728	1.4
153.05550	2.2
160.84213	3.7
161.84224	1.0
162.83922	10.7
163.01550	1.0
166.99837	3.6
167.02216	2.8
167.99365	5.2
168.01724	1.1
179.01010	2.8
180.01775	5.0
182.00616	1.0
182.02165	8.9
183.01659	5.7
196.81239	0.7
197.02028	100.0
197.11827	2.9
197.80775	8.4
198.02290	1.9
198.04091	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	197.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72499	0.4
53.79590	0.4
63.02392	1.0
67.01910	0.4
78.01108	6.9
83.01382	1.2
89.00331	9.2
91.01897	3.7
95.01385	3.6
98.21792	0.7
106.00607	10.6
108.09763	0.4
111.00854	1.1
121.02956	100.0
122.03294	1.3
123.00887	17.2
125.99601	0.4
127.00408	1.8
134.11627	0.4
136.98801	1.7
138.03230	11.6
139.00372	1.5
141.01935	0.5
153.05573	53.7
154.02696	0.7
154.05896	1.1
166.99854	7.9
181.01453	0.5
182.02211	20.5
197.04550	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	197.0454
Annotation	Syringic acid
Peak:m/z	Relative Intensity
56.76263	0.4
63.02388	1.3
65.00296	0.8
67.01888	0.7
68.99794	0.6
69.28935	1.0
69.29334	1.1
70.50430	0.4
77.58313	0.4
78.01108	8.2
79.01858	0.4
83.01387	1.0
89.00328	10.5
91.01896	5.2
95.01397	3.0
96.99583	0.4
106.00600	11.4
111.00884	1.7
121.02952	100.0
122.03268	1.6
123.00884	18.3
127.00356	1.2
136.98773	0.9
138.03223	13.7
139.00385	1.5
141.01978	0.7
153.05568	53.2
154.02669	0.7
154.05855	1.3
164.46169	0.4
166.99847	7.9
172.41574	0.6
182.02203	22.6
183.02386	0.4
197.04541	28.6
198.04865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31850	0.5
55.75388	0.4
63.02404	0.8
65.00317	0.7
65.03965	0.9
67.01894	1.0
69.37935	1.9
78.01102	5.7
81.99975	0.5
83.01375	0.9
83.12543	0.4
89.00343	7.9
91.01888	4.6
95.01397	4.3
96.74690	0.4
97.02980	0.6
105.94119	0.4
106.00615	9.3
109.02959	0.6
111.00885	1.2
112.98818	0.6
119.97754	0.4
121.02959	100.0
122.03324	1.9
123.00886	24.3
124.01211	0.5
127.00415	1.4
136.98802	1.3
138.03232	15.8
139.00375	1.2
141.01907	0.6
153.01974	1.5
153.05585	70.0
154.02640	0.6
154.05925	1.6
166.99866	13.2
182.02225	38.4
183.02582	0.9
197.00864	1.4
197.04561	40.0
198.04900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71079	0.4
63.02391	1.0
65.00323	0.4
67.01904	0.5
69.09296	2.3
78.01107	7.1
79.89326	0.3
83.01386	1.0
89.00327	8.6
91.01894	3.8
95.01366	2.8
106.00605	10.9
111.00897	1.2
112.98762	0.5
116.92900	0.7
121.02955	100.0
122.03278	1.9
123.00885	16.1
127.00371	1.4
136.98802	1.3
137.02405	0.5
138.03232	12.6
139.00362	1.3
141.01932	0.4
153.05573	57.3
154.05933	0.8
156.39647	0.3
166.98448	0.4
166.99858	8.6
182.02205	21.5
183.02528	0.6
197.04543	29.6
198.04735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74434	0.4
61.02435	0.4
63.02390	0.8
65.00324	1.0
65.26084	0.5
67.01888	0.5
69.42493	1.9
78.01096	4.2
79.95757	0.5
82.00562	0.5
83.01380	1.1
89.00323	8.4
91.01892	4.1
95.01392	4.5
106.00600	10.6
109.02956	1.1
111.00867	1.8
111.04494	0.7
111.47197	0.4
112.98793	0.7
116.92857	1.6
117.21117	0.4
120.24099	0.4
121.02951	100.0
122.03271	1.9
123.00874	18.1
125.02403	0.6
126.90521	1.1
127.00365	1.9
135.08162	0.5
136.98802	1.6
138.03212	11.0
139.00392	2.0
139.04018	1.0
141.01947	0.9
153.01932	1.6
153.05568	59.6
154.02718	1.4
154.05865	0.9
166.99843	11.3
167.99388	1.9
178.99652	0.5
182.02200	26.4
183.01691	1.4
197.04539	31.5
197.08199	1.4
197.11838	0.9
198.04500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Syringic acid
Peak:m/z	Relative Intensity
62.01595	0.4
63.02399	1.1
65.00326	0.8
69.64326	1.0
78.01107	7.3
83.01379	0.7
89.00330	9.5
91.01893	4.3
95.01395	3.7
96.81724	0.4
105.08405	0.3
106.00600	9.8
111.00890	1.1
121.02953	100.0
122.03265	1.2
123.00885	16.1
127.00398	1.8
136.98849	0.9
138.03226	14.4
139.00368	1.1
139.03931	0.4
141.01938	1.2
153.05571	57.6
154.02713	0.6
154.05864	1.1
165.02090	0.4
166.99850	8.0
182.02205	23.5
183.02505	0.6
189.20668	0.4
197.04544	30.7
207.39934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01368	0.9
69.03445	1.5
74.72672	0.4
74.74847	0.4
80.02712	0.5
81.03469	0.4
83.01360	0.5
83.05024	1.1
86.73854	0.4
95.01384	0.8
112.01711	0.4
115.79454	0.4
121.02932	1.2
123.00883	2.6
126.90459	0.8
141.09193	0.7
151.11293	1.2
153.05553	1.3
153.09225	1.1
153.12839	3.6
160.84270	2.0
162.83910	6.4
166.99828	1.8
167.99364	2.4
169.12329	15.6
178.99850	0.5
179.10739	2.0
182.00725	0.7
182.02206	5.2
183.01672	2.3
197.04530	1.8
197.11819	100.0
197.80830	4.1
198.04227	0.6
198.12178	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	198.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99186	0.2
61.98822	1.2
65.01428	0.4
69.26637	0.6
69.27050	0.4
73.26038	0.2
75.01247	0.2
79.64095	0.2
92.02538	4.5
105.04590	2.4
117.02045	1.7
118.02836	0.3
119.03615	0.9
127.93159	0.6
132.04402	0.6
144.03137	0.5
153.01994	0.2
154.95430	0.6
155.86954	0.2
157.03922	0.6
157.05132	0.3
160.84200	9.3
162.83902	25.0
166.32823	0.2
167.99380	3.3
171.06754	0.9
182.04594	0.4
183.01732	3.6
183.05478	10.5
184.05922	0.2
191.64008	0.2
196.06258	0.7
197.07054	0.7
197.78857	0.3
197.80779	15.4
198.07834	100.0
198.31619	0.2
199.08163	2.4
199.13383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08437	0.6
59.01378	0.6
67.11813	0.8
70.32186	1.9
79.23409	0.7
125.87333	1.9
127.93156	76.5
129.92336	1.0
139.93153	36.5
154.95499	100.0
155.87204	3.4
155.93954	0.8
155.95741	1.3
157.97687	1.0
173.93707	1.1
198.94449	22.4
199.98782	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	199.061
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.01875	9.5
55.10542	0.4
59.01361	0.7
67.01872	1.4
69.03440	0.7
69.52056	0.4
83.01353	0.5
83.05022	0.9
93.07084	0.7
95.05025	0.9
102.98593	0.7
109.06605	2.1
111.00865	2.3
111.08154	100.0
112.08488	1.3
122.03732	5.9
122.51599	0.4
123.00950	0.6
126.30394	0.5
127.03995	0.9
127.93153	3.2
128.01810	0.6
130.24550	0.5
137.06078	25.5
137.09669	0.9
139.93121	0.4
154.95473	2.9
154.99858	0.7
155.05888	0.8
155.07140	15.3
155.10709	0.6
181.05051	8.1
199.04225	0.6
199.06113	8.6
199.07822	0.9
199.09836	1.0
199.13306	0.9
199.17021	3.3
202.61676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03452	2.9
59.01111	0.7
59.01382	8.5
67.01907	0.5
69.03445	1.1
69.21246	2.4
71.01384	0.7
77.27734	0.5
81.03444	3.0
83.01438	0.6
83.05021	21.4
84.02144	0.5
85.02938	1.1
85.06557	0.6
95.05038	0.8
98.21836	0.7
109.06586	2.1
111.00916	0.8
111.08202	0.8
117.75577	0.5
119.08672	1.1
127.23640	0.5
127.93143	8.5
129.92430	0.5
135.08163	2.0
137.09717	36.3
138.10049	0.5
139.93138	1.7
145.81631	0.5
154.95490	6.6
154.96657	0.7
155.10773	100.0
156.11118	1.9
168.99683	0.8
181.08705	15.7
184.02019	0.7
198.94469	1.6
199.09747	91.1
199.17009	1.5
200.10028	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01885	0.5
59.01363	1.6
61.98824	0.5
67.85474	0.5
71.05019	0.5
72.83276	0.6
75.00895	0.5
79.51662	0.5
92.99784	0.6
99.00879	1.5
99.08173	0.8
101.84666	0.6
106.54028	0.5
111.00895	0.5
127.93159	8.9
136.98817	0.6
137.06290	0.6
137.09708	6.0
139.93155	1.7
154.95494	9.1
154.96695	1.0
155.10777	100.0
156.11087	2.0
162.83910	0.8
164.83691	0.6
168.99739	1.3
181.08714	1.2
184.02089	1.4
198.94374	2.0
199.09755	10.4
199.13409	1.9
199.17026	1.3
199.85143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	0.3
69.94645	0.5
69.94953	0.4
92.29271	0.3
110.05936	0.3
113.04619	0.3
155.23270	0.3
156.99355	0.3
157.03564	5.9
157.04843	0.4
159.01485	2.1
176.78484	0.3
201.02559	14.3
202.02780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40817	0.3
58.76507	0.3
59.01378	100.0
60.01717	0.5
69.46097	0.7
69.46462	1.3
70.75430	0.3
88.04047	1.8
100.82623	0.3
113.04604	0.7
139.04059	0.7
153.92659	0.4
157.03574	5.3
157.13440	0.9
159.01447	2.2
201.02545	14.3
201.12424	1.8
202.02872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11573	0.3
59.01377	100.0
60.01702	0.3
70.95279	0.5
76.42921	0.3
77.63895	0.3
80.11301	0.3
84.47865	0.4
85.02964	0.4
99.92602	0.3
113.06064	0.6
114.94731	0.3
133.73895	0.4
139.04037	2.1
157.03560	5.8
157.08743	0.5
157.13449	0.9
159.01472	2.7
201.02534	17.0
201.07681	1.4
201.12343	1.9
202.02716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0403
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
53.99890	0.6
59.01377	100.0
60.01719	0.5
71.41448	0.6
73.08572	0.5
74.57101	0.6
79.30964	0.5
81.03436	0.7
87.05674	0.7
95.05035	2.8
97.85612	0.5
99.92610	1.4
102.98613	0.8
103.85081	0.6
113.06085	19.1
125.09776	1.2
127.03921	0.5
129.05635	1.2
130.08760	1.3
135.72545	0.6
139.04008	48.4
140.04387	0.9
141.93578	2.0
142.85509	0.5
144.47939	0.6
157.03590	4.6
157.05078	2.9
157.13506	1.3
159.01477	2.9
173.60522	0.6
201.02599	15.8
201.04128	3.7
201.07726	1.0
201.12555	2.7
201.15092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0404
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
56.24665	0.5
59.01377	6.7
67.05505	1.0
68.99812	0.7
71.40762	0.7
72.66522	0.5
81.03406	0.6
95.05029	8.6
111.04520	0.8
113.06087	42.1
114.06442	0.5
115.04059	1.1
116.07149	0.7
129.05566	5.1
136.92593	0.6
139.04015	100.0
140.04333	3.0
142.05090	1.1
143.03499	1.7
149.45277	0.5
157.03813	1.2
157.05048	12.6
183.02948	0.9
193.27513	0.8
201.04068	15.0
201.07742	0.8
219.71635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0767
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
53.51511	1.0
59.01376	45.9
70.28345	1.8
73.02946	1.7
87.04509	1.8
95.08647	1.6
99.92583	3.5
111.08136	2.8
113.09720	7.7
125.09698	2.3
129.09207	5.9
139.04048	1.6
139.07718	1.1
141.93390	3.7
155.10796	1.9
157.03564	2.1
157.08694	100.0
158.09042	1.6
159.01472	1.3
168.94923	1.0
183.10207	1.3
201.02557	7.0
201.05824	1.7
201.07681	10.6
201.11472	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	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
59.01375	100.0
60.01722	0.9
65.00346	0.5
69.27548	2.4
72.99313	0.8
73.02951	1.6
79.05528	4.5
85.02969	0.5
86.62196	0.5
95.05016	3.1
97.06590	5.9
99.08173	0.5
99.92577	11.5
110.72813	0.5
111.08189	0.6
113.09788	0.4
121.06529	0.7
123.04509	0.6
125.09728	1.1
127.05421	0.4
139.07648	13.7
141.05580	19.3
141.93681	13.4
155.07166	1.7
157.03638	1.2
157.08691	15.4
157.09898	0.7
159.01547	1.5
183.06630	3.0
201.02531	6.4
201.07669	12.2
201.09366	0.9
201.11392	2.1
201.95796	0.8
202.04938	0.5
202.08128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03438	1.9
58.02977	9.5
59.01377	71.4
63.29501	0.8
69.03448	3.0
71.01401	0.9
71.05015	1.8
71.43243	1.2
72.99307	24.2
85.06593	1.2
99.92577	1.6
107.08712	1.9
109.10233	2.5
113.06107	1.1
117.03430	0.9
123.03448	0.8
125.09725	5.8
127.11292	3.3
135.08224	1.1
137.09714	1.0
139.11285	3.3
141.93170	7.4
145.06624	2.5
154.09584	0.8
155.10750	9.1
157.03571	2.3
157.08696	8.8
157.12366	1.4
158.03769	3.8
159.01514	2.1
159.04507	6.7
172.05316	2.6
173.06078	11.5
183.04524	3.2
183.10262	40.1
184.10722	1.1
185.02397	2.4
186.03304	3.3
199.04138	0.8
199.09677	1.0
200.04855	2.0
201.02705	11.0
201.05565	44.5
201.07405	2.0
201.11354	100.0
201.40262	1.0
202.06268	3.5
202.11732	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	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03445	5.8
59.01377	44.3
69.03450	0.8
69.20985	1.3
69.21393	3.4
69.74765	0.7
91.64109	0.7
92.41161	0.7
99.92583	5.6
100.07779	0.7
110.72100	0.7
111.08151	4.9
116.92812	1.3
125.09785	1.3
126.60326	0.6
137.09723	2.3
139.11282	94.5
140.11610	1.5
141.93130	8.4
157.03539	1.6
157.12302	1.3
157.60336	0.6
164.83588	2.1
183.08598	1.6
183.10252	37.7
201.02609	6.0
201.11307	100.0
201.80151	1.2
202.11671	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	202.051
Annotation	Doryanine
Peak:m/z	Relative Intensity
52.37658	0.3
53.94392	0.5
56.00047	0.5
56.50152	0.4
59.01376	18.8
60.01696	0.6
61.98819	0.7
63.89003	0.4
65.99844	3.3
70.84282	0.5
98.21881	0.4
99.90628	0.4
99.92579	15.2
102.70319	0.5
114.03450	0.5
115.04267	2.4
116.05065	0.5
116.92864	2.3
127.87050	0.5
130.06682	0.6
131.03793	3.1
131.04692	0.5
132.98137	0.6
141.86804	2.7
141.93634	16.8
141.94743	0.9
142.02974	21.7
143.03650	1.5
143.92754	0.7
144.03471	0.9
144.04538	8.2
145.04878	0.5
153.62700	0.4
157.95406	0.6
159.03246	7.5
159.87874	1.0
160.97632	1.6
164.64363	0.4
164.83586	5.5
166.83307	2.1
171.18492	0.4
174.05592	28.2
174.99261	3.1
175.05925	0.7
201.80185	3.6
201.95753	1.6
202.05086	100.0
202.98729	1.5
203.05402	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	203.035
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
53.96674	0.4
59.01375	23.5
60.01691	0.9
61.98808	0.5
70.51736	0.4
72.00885	0.5
74.02481	0.9
86.05137	0.3
90.97176	0.6
99.92561	1.7
100.92591	3.6
109.14989	0.4
116.05051	2.5
118.96548	0.5
128.95166	0.4
132.98181	1.7
141.93639	0.5
142.06619	1.0
142.93663	4.3
143.92720	1.8
147.63152	0.4
148.95473	0.5
158.03690	2.2
159.04506	100.0
160.04866	2.2
160.89308	0.6
160.97701	3.8
161.97240	0.5
174.99234	12.7
185.02463	1.1
200.63939	0.4
202.94107	0.7
202.95912	0.7
202.98717	5.4
203.01762	0.8
203.03510	11.0
203.08307	1.9
204.41786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21951	0.6
51.99924	0.6
58.30303	0.7
59.01379	100.0
71.01381	3.1
73.02961	1.7
85.02978	0.9
90.97159	0.8
99.92585	0.9
100.92603	1.9
110.17853	0.6
110.18595	0.7
131.03584	0.7
132.98247	1.2
142.93695	1.9
143.92731	1.5
159.04556	1.1
160.96625	0.6
160.97697	4.4
161.06227	0.7
174.99257	10.1
202.98747	4.1
203.05635	3.8
203.07262	1.9
203.10680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36022	1.8
55.01881	2.5
59.01376	100.0
63.25022	1.8
69.03438	6.5
69.12580	10.7
69.60081	1.7
71.01377	59.7
73.02956	4.1
81.03459	6.6
83.01382	2.9
85.02941	8.7
97.02933	9.0
99.00869	3.3
100.92599	2.7
101.02399	3.3
104.39700	1.9
113.02425	14.3
125.02412	7.4
132.98199	3.9
142.93726	2.2
143.92697	5.5
155.03502	4.1
160.97694	10.0
163.29118	1.9
174.99246	21.8
175.42865	2.4
190.21480	2.0
202.98756	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	203.0825
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.82015	0.6
69.59812	2.7
70.36472	0.7
72.00906	17.7
74.02476	37.0
83.50814	0.8
88.16995	0.7
99.93652	0.8
108.86586	0.8
116.05061	100.0
117.05367	1.8
121.05570	0.6
129.05887	0.8
130.06613	2.8
142.06616	27.3
143.06985	0.9
159.07982	1.0
159.09264	16.7
186.05635	3.7
195.84222	0.7
203.08252	68.1
204.08614	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	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29684	0.6
51.71013	0.5
52.08945	0.5
57.68651	0.5
59.01376	19.5
60.01725	0.6
68.51208	0.6
69.11264	1.0
69.11641	3.4
71.05000	0.6
72.00890	1.2
74.02477	4.2
85.02957	0.5
85.06567	0.7
95.08665	2.6
99.92574	0.9
100.92591	1.5
111.08132	0.8
113.09721	13.7
116.05058	9.7
132.98177	1.2
141.09216	27.6
142.06635	2.5
142.93677	1.7
143.92737	1.2
157.08684	16.0
159.04503	0.7
159.09235	1.5
159.10361	1.3
160.97688	2.6
166.50023	0.6
174.99243	9.4
185.08174	100.0
186.08490	1.9
202.98715	4.2
203.09505	15.3
203.12851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07243	0.6
59.01379	27.9
60.01725	0.7
69.20693	3.9
71.01340	0.7
74.02493	1.4
85.02985	0.7
89.22842	0.6
95.08655	2.8
99.92574	1.9
100.92594	4.7
111.08172	0.9
113.09726	13.2
115.02140	0.7
116.05051	4.5
119.31400	0.7
132.98198	2.4
141.09225	27.9
141.93663	1.1
142.06673	0.8
142.93677	5.8
143.92741	2.5
157.08685	16.6
159.10272	2.4
160.97653	4.4
174.97702	0.8
174.99234	11.9
185.08183	100.0
186.08513	1.9
202.98767	6.1
203.02376	0.9
203.09314	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	203.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65624	2.0
52.52076	1.7
59.01377	41.0
69.21709	8.9
70.00557	1.8
73.02953	1.8
79.05537	6.7
83.01373	5.1
91.05519	3.7
97.02950	3.3
121.18222	2.0
129.07108	8.2
143.08647	5.6
143.92702	6.4
157.10208	2.5
159.11787	100.0
160.97650	7.6
170.43112	1.8
174.03235	2.3
174.99261	16.6
185.15617	1.7
202.98726	6.0
203.07074	2.8
203.10796	13.9
203.12831	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	203.1078
Annotation	3',4',5,6,7-Pentahydroxyflavone
Peak:m/z	Relative Intensity
57.03440	2.5
59.01377	73.0
60.01696	2.4
61.98835	1.5
69.18774	3.8
69.19181	2.8
70.74873	1.1
71.01379	5.4
71.05008	2.8
73.02945	5.8
83.05016	3.2
85.02966	2.1
90.97138	2.1
91.05534	12.8
99.00908	1.1
99.04517	27.4
99.92577	3.9
100.92589	6.7
101.46782	1.1
104.97745	2.6
110.56220	1.1
111.04519	10.2
113.02382	1.8
118.96662	1.9
121.13858	1.2
123.67942	1.3
132.98169	7.0
142.93663	8.4
143.44762	1.1
143.92717	8.1
148.05307	50.5
149.05672	1.8
157.06593	1.2
159.08192	8.8
160.97675	14.4
161.04556	1.4
174.99254	36.3
175.11290	8.7
180.04282	25.9
202.94160	2.1
202.98773	18.6
203.10768	100.0
204.11198	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1078
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
51.59332	0.5
55.38269	0.5
59.01379	27.2
60.01707	0.6
61.98829	1.0
65.84971	0.6
99.92583	1.5
100.92578	3.1
104.97733	1.5
105.31632	0.5
117.92847	0.7
118.96654	0.7
121.02991	0.8
121.28548	0.5
132.98177	2.8
142.93645	2.8
143.92744	4.2
148.05309	62.2
149.05669	1.1
154.11621	0.6
160.97720	6.1
166.83342	0.7
174.99254	19.2
180.04292	33.7
181.04581	0.8
188.08411	1.0
202.94170	1.3
202.98752	7.0
203.10782	100.0
204.11143	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	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
55.77699	0.3
57.03437	0.5
59.01377	20.9
60.01693	0.8
69.22453	0.3
69.84587	0.3
70.65703	0.6
73.02920	0.5
74.02429	0.5
83.05044	0.6
85.06584	0.8
90.97071	0.5
99.08153	0.9
99.92607	0.9
100.92589	2.6
103.91983	0.6
116.05066	0.7
118.96660	0.4
121.02134	0.7
121.02958	9.0
125.09706	1.3
127.11299	10.9
132.98192	1.3
137.09683	0.5
139.11269	0.4
141.93576	0.5
142.93643	3.2
143.92667	1.9
144.04558	3.1
155.10779	5.9
157.12331	47.3
157.89958	0.4
158.12688	1.2
160.89229	0.4
160.97672	4.2
172.04045	5.1
174.99240	12.2
185.11789	0.7
187.26378	0.4
201.11359	0.9
202.94139	0.5
202.98740	5.3
203.12866	100.0
204.13231	1.9
210.29794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0865
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
59.01355	3.8
69.09523	6.5
69.09924	3.6
74.84998	1.7
78.54274	1.9
78.91879	2.4
82.16276	1.5
98.21836	2.6
106.04243	70.4
138.03212	3.0
141.25433	1.6
145.92537	2.2
150.03239	10.6
161.09714	100.0
162.10112	2.2
162.89323	2.3
182.02191	5.3
183.63846	1.7
205.08670	77.0
205.15947	5.7
206.09056	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	205.0868
Annotation	2,2-Dimethyl-6-methoxy-4-chromanone
Peak:m/z	Relative Intensity
53.52163	0.5
55.91011	0.6
56.45357	0.6
59.01368	1.3
67.16558	0.7
106.04235	71.9
107.04562	0.9
138.03220	5.8
139.25620	0.7
146.07365	0.7
150.03214	7.8
161.09705	100.0
162.10023	2.4
182.02209	2.8
205.08669	66.5
205.15944	1.7
206.09007	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	205.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39345	1.1
53.48908	1.2
69.14830	7.6
76.50446	1.2
86.25591	1.2
90.15037	1.1
99.57404	1.0
101.76593	1.2
106.04243	82.1
138.03221	5.7
150.03230	10.0
150.66086	1.1
161.09717	100.0
162.10063	2.5
182.02225	2.6
203.98610	1.1
205.08682	70.4
206.09044	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	205.087
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
54.23153	0.9
56.99169	0.9
59.01376	2.2
61.98810	0.9
63.04609	0.8
63.28797	0.9
70.73117	1.3
74.99097	0.9
92.92630	0.9
106.04243	70.4
138.03244	7.5
145.92496	1.0
150.03230	7.8
161.09717	100.0
161.85240	0.9
162.10022	2.2
175.07697	1.1
182.02211	3.3
187.07635	2.0
205.08687	76.8
205.15771	1.8
206.09076	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	205.0869
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
57.75233	0.6
59.01371	1.9
61.98835	0.8
65.74142	0.7
69.68269	1.3
69.68612	1.5
71.01368	1.1
78.91894	0.9
93.03477	0.8
94.34158	0.6
99.83699	0.6
106.04243	2.3
109.02950	1.2
115.00348	1.6
122.03716	3.7
123.10934	0.7
142.99908	0.8
145.92458	0.9
149.02455	1.4
150.03221	54.2
151.03531	1.1
161.09715	1.5
162.03159	0.8
182.02214	14.4
189.05568	2.7
190.06345	5.7
204.79219	0.9
205.08685	100.0
206.09027	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	205.0869
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
58.49178	0.2
59.01378	0.8
59.67265	0.2
69.37047	0.8
69.37453	0.4
71.01393	0.5
76.68909	0.2
85.02959	0.2
93.07100	0.7
100.62016	0.2
103.83488	0.2
105.07097	1.1
106.04245	0.4
109.02908	0.4
114.95671	0.3
115.00364	0.4
121.02968	0.9
122.03738	8.0
124.01624	0.2
133.02962	0.3
134.03748	0.3
137.02417	0.5
146.03743	0.4
146.97255	0.2
147.04523	8.5
148.05275	1.0
149.06084	1.0
150.06830	0.5
154.02724	0.3
160.91417	0.2
161.02449	0.6
161.06036	0.7
161.09703	0.6
161.13351	0.9
164.07198	0.3
174.03387	0.4
175.04001	21.0
176.04779	100.0
177.05106	2.4
177.09163	1.0
187.07574	1.1
205.08688	38.8
205.12114	4.2
205.15965	0.6
206.09021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0868
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
51.80849	0.3
52.11913	0.3
55.84760	0.3
58.28144	0.2
59.01367	0.4
61.98816	0.5
68.01756	0.4
68.07153	0.3
69.61639	0.6
78.91884	1.2
93.03431	0.5
98.22560	0.5
102.77468	0.3
106.04240	74.0
107.04579	1.4
108.02205	0.4
121.02960	0.5
138.03236	7.3
140.29803	0.3
145.92444	0.4
146.07344	0.7
150.03224	8.0
161.09711	100.0
162.10071	2.1
162.89418	0.4
182.02190	3.2
185.36177	0.3
188.84091	0.3
192.84889	0.3
195.35985	0.3
204.79240	0.4
205.08678	70.8
206.09117	1.5
211.00858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1233
Annotation	(plusmn)-Ibuprofen
Peak:m/z	Relative Intensity
51.58556	1.0
55.95794	1.1
57.58662	1.0
59.01347	1.4
62.23500	1.0
69.38751	4.3
93.07088	3.1
105.07102	2.7
135.11803	3.4
136.36703	1.1
150.06866	23.4
161.13368	17.9
162.89369	1.3
184.36815	1.0
205.12332	100.0
206.12654	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1233
Annotation	(R)-(-)-Ibuprofen
Peak:m/z	Relative Intensity
57.01989	1.8
59.01373	5.6
66.78514	1.6
69.24900	10.8
87.35821	1.6
91.05533	1.9
93.07087	17.0
93.45036	1.7
93.91885	1.4
99.04534	2.1
105.07090	10.4
115.00332	2.7
127.52240	1.7
133.02904	3.0
135.11781	2.9
148.52837	1.7
150.06853	27.7
161.06056	3.3
161.13361	23.2
176.04822	4.4
177.09267	2.1
205.08916	10.5
205.12318	100.0
211.73170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46929	1.4
58.02973	40.9
59.01371	5.1
59.83099	1.5
61.98834	2.4
69.34869	6.2
70.02977	11.9
72.00914	6.2
72.34428	1.6
77.16216	1.6
80.56513	1.6
91.05539	20.9
113.86562	2.0
133.60289	1.8
135.82932	1.4
147.04520	39.4
148.04887	1.5
162.09285	1.5
164.07176	100.0
177.01990	1.9
186.52055	1.5
206.08224	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.90143	0.7
58.02974	41.5
59.01380	2.3
61.98840	0.9
70.02978	13.9
72.00900	6.1
91.05531	20.5
94.85425	0.7
101.12781	0.7
103.05573	0.9
117.11002	0.7
135.04510	0.8
147.04520	33.1
162.09187	1.0
164.07162	100.0
165.07457	2.4
192.04141	0.9
206.08209	48.7
210.32135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02974	31.1
59.01381	7.0
69.28557	3.6
69.28835	1.0
70.02972	13.0
72.00905	5.8
82.14209	0.6
90.30004	0.6
91.05531	27.4
91.57715	0.6
103.05550	1.9
119.05006	1.0
147.04521	42.2
149.13487	0.6
160.44084	0.7
162.09222	1.2
164.07158	100.0
165.05586	8.0
165.07446	2.1
180.42250	0.7
206.08206	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	36.0
59.01361	0.8
69.29241	2.8
70.02976	14.3
72.00916	4.4
81.54818	0.7
91.05532	24.2
98.21855	1.6
108.94086	0.8
128.04059	0.7
138.61909	0.7
147.04526	37.0
148.04857	0.8
154.54866	0.7
162.09200	1.1
164.07164	100.0
165.07520	1.7
195.38306	0.7
203.59885	0.8
206.08224	43.4
207.08578	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29714	0.7
58.02973	33.8
59.01379	1.4
61.98842	1.1
69.21557	3.5
70.02975	15.2
72.00901	5.1
83.60518	0.7
91.05532	22.4
91.33155	0.7
103.05530	1.4
110.16738	0.8
113.49916	0.7
114.32007	0.7
135.04541	1.3
143.09685	0.7
147.04515	40.9
154.20468	0.7
162.09235	1.8
164.07158	100.0
165.07539	1.0
175.13948	0.8
177.01950	0.9
192.04221	1.5
205.63103	0.9
206.08205	42.2
207.06627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0507
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
57.03441	1.6
59.01369	3.4
70.58929	1.7
71.01372	3.4
72.99290	3.8
73.02942	2.5
81.03453	1.4
83.05003	1.4
85.02939	12.5
87.00866	3.9
96.38642	1.2
97.02963	1.3
99.00866	5.7
99.04489	1.9
101.02406	5.3
108.02180	1.2
109.02956	8.6
113.03558	1.8
114.01969	1.6
115.00356	1.7
117.01939	3.6
124.92360	1.4
127.03980	5.0
129.01920	10.3
131.04594	6.0
133.01448	6.3
136.37738	1.1
186.32803	1.1
196.15445	1.2
207.05075	100.0
208.05415	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	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87780	0.2
59.01373	0.6
59.98930	0.1
60.86831	0.2
61.98816	0.2
62.61345	0.1
66.31369	0.2
69.37016	0.7
73.02935	1.4
77.03963	0.2
78.91879	0.2
84.99123	0.2
85.87167	0.1
95.05005	0.4
97.91586	0.1
105.03458	4.2
119.01385	0.2
123.04536	0.4
124.51379	0.1
127.92110	0.1
132.02159	0.2
133.02957	35.1
134.03323	0.5
135.91652	0.1
149.02467	1.8
151.03996	0.2
160.01628	0.3
164.04811	2.7
177.01930	10.9
183.01477	0.2
192.04283	100.0
193.04608	2.3
206.78958	0.2
207.06627	22.3
207.10159	0.7
208.06949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11237	1.1
59.01378	100.0
71.03371	1.5
72.10114	1.3
72.99306	8.0
80.13135	1.3
97.58849	1.3
98.00611	1.4
98.22687	3.0
107.53053	1.3
108.02187	1.3
109.06555	2.6
119.05021	10.5
135.00935	1.6
135.04527	1.6
147.04520	95.5
148.04901	1.4
153.20091	1.5
163.04005	1.6
163.07545	2.0
163.11221	2.1
165.05563	88.3
166.05905	2.4
177.01973	5.4
178.31313	1.5
192.04256	4.9
207.06631	4.2
207.10237	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	207.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13160	0.6
55.50361	0.6
55.91199	0.5
59.01375	6.0
59.35779	0.6
71.01371	0.9
73.05301	0.7
76.54142	0.6
78.91861	0.8
80.91643	0.7
93.03461	3.6
93.53770	0.6
95.05016	3.3
107.01414	0.7
121.02944	4.4
123.04518	5.7
129.01936	1.2
147.02962	0.8
149.02435	16.9
163.00342	0.7
163.04076	1.1
170.24709	0.7
177.01921	94.9
178.02258	2.5
191.03493	2.1
192.04280	100.0
193.04581	2.4
207.01154	1.0
207.05153	1.3
207.06624	26.8
207.10228	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	209.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
60.07900	0.3
67.85194	0.4
69.45987	1.4
71.99860	0.3
73.81789	0.3
82.20647	0.4
91.01896	0.6
96.00921	0.4
99.09520	0.3
112.04039	0.5
120.02172	11.5
121.02954	100.0
122.03281	1.3
136.01584	0.4
150.03235	0.7
165.05579	0.4
174.54907	0.3
185.78108	0.3
194.02235	0.7
202.15791	0.3
209.04514	12.6
213.56532	0.4
218.70105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
52.98016	0.3
69.42897	1.4
91.01907	0.7
92.02716	0.3
106.58092	0.3
109.23366	0.3
112.04074	0.8
113.86797	0.3
120.01292	0.5
120.02168	11.9
121.02955	100.0
122.03286	1.5
123.04514	1.0
136.01685	0.7
161.02402	0.3
179.03543	0.5
209.04524	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01884	3.7
57.03449	27.4
58.00606	0.6
58.58625	0.7
59.01382	26.5
65.98327	0.7
69.03448	1.6
71.01388	10.8
71.42168	0.7
73.02945	3.3
75.00861	1.3
75.33826	0.8
83.01394	4.2
83.46841	0.6
84.02155	4.3
85.02950	92.2
87.00878	28.7
87.04503	1.2
89.02454	6.0
93.03452	1.0
97.02947	2.4
99.00888	5.6
99.04523	1.0
101.02464	3.6
104.25455	0.7
110.89967	1.0
110.98556	0.8
111.00882	7.5
115.00376	2.1
115.04003	1.7
129.01947	41.8
131.04637	0.9
131.08257	7.1
133.01439	3.4
141.01947	4.9
155.03485	0.7
159.02989	11.9
170.60988	0.8
173.04544	3.1
173.10420	3.3
173.35895	0.7
191.05725	1.1
209.06665	100.0
210.07047	1.6
220.72488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0665
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
53.43941	1.0
54.54308	0.9
55.01875	3.6
57.03447	26.0
58.00578	1.8
59.01383	27.2
68.99815	1.3
70.80532	1.7
71.01383	7.2
73.02942	4.3
73.90818	1.0
83.01392	4.3
84.02151	3.9
85.02948	88.2
86.03307	1.3
87.00872	27.4
87.04510	1.3
89.02461	6.2
91.22588	1.0
97.02971	2.1
99.00896	5.4
101.02445	2.5
103.04017	1.2
111.00873	8.3
112.04060	1.3
115.03990	1.4
129.01952	41.2
141.01947	4.7
159.03009	11.1
209.06670	100.0
210.07047	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	209.0818
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
54.85614	1.0
58.60950	0.9
59.01376	2.7
69.72539	2.3
71.05020	1.5
79.01892	3.3
80.02686	1.3
80.91679	2.0
83.05037	2.8
85.06566	1.7
87.04462	0.9
92.99812	1.3
93.03439	1.4
95.05037	7.9
95.91212	1.0
96.95998	3.1
97.02932	2.8
103.01441	1.3
107.05112	1.2
109.06613	1.8
111.04517	5.3
112.04017	2.2
118.94167	1.9
120.02163	5.8
121.02949	71.1
123.08181	4.9
136.98776	1.2
139.04013	9.3
150.06921	1.7
151.03996	2.0
161.02380	1.7
163.11311	2.9
165.01947	3.1
165.09195	42.2
165.12866	2.2
166.02773	1.3
173.39342	1.0
176.04784	2.2
179.03490	3.5
179.37483	0.9
191.07153	3.4
194.05817	2.9
208.78539	1.0
209.04556	11.2
209.08176	100.0
209.11752	40.3
209.15443	3.6
210.08513	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.00049	0.6
55.01855	1.6
57.03435	2.4
59.01361	2.6
60.33560	0.7
61.98813	3.0
69.11755	3.4
69.12158	1.3
71.04978	0.7
71.72475	0.6
80.02650	1.1
80.91663	0.6
81.03449	3.2
82.95431	0.8
83.01387	24.3
83.05022	2.8
89.84699	0.6
92.99812	1.7
93.03459	0.8
95.05033	1.6
96.95992	1.7
97.06570	4.5
111.08171	0.8
112.04059	1.2
118.94176	2.2
120.02171	3.4
121.02957	43.6
122.03313	0.9
123.08146	1.9
125.09720	20.3
127.00138	1.1
135.08144	2.0
136.01633	1.0
136.98752	1.0
147.11778	1.3
151.02711	1.0
163.11272	9.9
164.98293	1.1
165.12843	3.8
165.51595	0.7
166.73853	0.8
171.82402	0.6
173.09625	0.8
174.36163	0.6
179.03430	0.8
181.12323	1.3
191.10745	7.0
208.78645	0.8
209.04549	4.4
209.11823	100.0
210.12187	3.0
215.77678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03435	3.0
59.01375	8.3
67.57097	1.1
69.03455	21.7
70.16051	3.0
71.01395	1.0
71.05024	3.8
83.05028	1.7
93.03438	2.4
95.05026	1.9
96.96009	1.4
97.06572	1.5
98.22448	1.4
108.05794	1.3
109.06628	2.3
111.08179	5.8
120.02190	1.9
121.02951	32.6
121.10218	1.5
131.95837	1.1
134.38403	1.2
135.08170	1.7
137.09776	0.9
147.11798	2.6
153.09195	5.8
163.11304	3.9
165.09230	4.1
165.12834	21.2
165.14114	1.9
173.09753	1.3
181.12335	18.9
191.10774	25.5
209.04451	3.3
209.11819	100.0
210.12215	2.1
225.58250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
62.22165	2.6
74.66331	2.3
85.00425	2.7
95.01365	6.4
98.22632	5.7
111.00890	3.8
118.49734	2.2
122.58085	2.9
122.59081	2.3
123.00877	3.2
126.99568	12.0
131.08699	6.8
141.86824	2.9
151.03154	4.9
165.04819	3.1
167.06313	77.3
167.10715	7.4
183.13896	11.4
197.81917	2.6
211.03783	5.5
211.05486	6.6
211.07576	2.7
211.13387	100.0
225.03008	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	211.0612
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
56.01126	1.1
59.01376	28.1
60.86483	1.1
69.83880	3.6
69.84216	1.0
71.51219	1.2
78.95901	3.1
97.59044	1.1
98.21921	2.2
108.02166	1.6
112.04073	1.5
123.04514	3.2
123.08170	2.0
129.05594	7.0
134.03731	14.5
136.01660	62.2
139.07693	5.8
139.08672	1.3
148.01639	5.9
149.06049	3.9
151.04004	100.0
152.04364	2.2
153.05548	5.6
163.03987	6.2
166.91035	7.7
166.93825	1.2
167.03523	1.2
167.05438	2.1
181.05083	5.8
196.03781	2.3
210.89975	1.7
211.02505	2.3
211.06166	12.5
211.13454	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	211.0764
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
59.01380	0.5
64.89106	0.4
65.03946	1.4
77.06876	0.5
85.00460	0.4
85.41510	0.4
87.18591	0.4
92.05030	2.2
95.01402	0.8
97.72208	0.4
113.06066	1.7
124.05583	0.4
141.07104	0.4
141.86749	0.5
149.13313	1.8
152.06310	0.7
164.98445	0.4
165.07065	1.0
167.08627	7.3
169.05153	1.0
169.06584	18.7
183.13843	1.3
195.39322	0.4
211.03716	3.0
211.07634	100.0
211.13309	10.6
212.07991	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.82980	0.9
56.29475	1.2
59.01367	1.9
61.98827	3.2
69.03440	0.8
69.63873	3.4
71.21178	1.0
84.56040	1.0
85.00436	10.9
95.01391	1.4
125.87351	1.9
136.15703	0.9
141.86830	9.5
142.87599	2.2
152.91725	1.7
159.87846	3.1
167.07224	1.1
167.10780	4.1
167.14413	1.4
183.13905	12.3
193.12335	3.3
194.36894	0.9
211.13399	100.0
212.13818	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	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.07694	0.7
59.01362	1.0
61.98825	2.0
69.03452	1.0
70.64439	0.9
85.00424	3.2
88.73311	0.8
95.01344	1.1
122.93896	0.8
126.18233	0.8
139.00215	1.0
161.44724	0.8
167.10770	1.5
183.13876	13.2
193.12340	2.8
211.03674	1.4
211.07669	2.6
211.13388	100.0
212.13704	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	212.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06594	0.5
56.82263	0.5
57.53853	0.5
59.01390	0.8
65.01445	1.6
69.14977	3.1
83.92117	0.6
92.02542	16.2
108.89972	0.6
115.02997	1.0
115.67627	0.5
117.04582	10.9
118.02987	40.2
123.11109	0.5
127.68550	0.6
137.73953	0.5
141.04578	6.6
142.04105	100.0
143.04483	1.2
144.05676	10.0
168.05666	96.3
169.06010	2.4
212.04643	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	212.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01908	1.1
55.24096	1.3
69.36740	3.7
69.37156	2.0
72.04549	33.6
82.02983	100.0
87.60202	1.1
98.02467	9.8
100.04048	52.8
112.04050	2.1
124.07684	1.3
130.08766	1.6
139.03618	1.1
141.09236	1.8
150.09206	2.2
153.04295	1.5
166.08731	19.7
168.10274	7.3
169.08588	1.4
180.86972	1.2
212.09274	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	212.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01886	0.7
60.19962	0.5
69.11591	3.3
70.02979	1.2
72.04545	34.1
75.90948	0.5
82.02981	100.0
83.03328	0.5
98.02469	11.1
100.04041	55.8
101.04408	0.7
112.04018	0.8
114.26073	0.5
137.44955	0.5
140.10831	0.7
150.09259	0.8
166.07324	1.0
166.08725	20.3
168.10347	3.7
212.09279	29.1
224.77823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0927
Annotation	N-(3-Oxohexanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
56.05546	0.5
58.02950	0.5
70.02972	1.5
70.19052	0.6
70.38641	0.6
70.38964	0.7
72.04542	35.1
77.95299	0.5
82.02978	100.0
83.01375	0.8
98.02475	10.0
100.04040	56.2
101.04385	0.7
112.03960	0.5
112.38638	0.7
116.69566	0.5
129.46129	0.5
137.74870	0.6
140.10786	0.8
150.09244	0.8
159.68571	0.5
162.37347	0.5
166.08719	18.7
168.10318	4.0
184.09709	0.6
212.09262	27.8
217.54457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.9805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75444	0.2
69.03441	0.8
71.40645	0.2
72.00904	0.3
85.02943	2.6
87.00871	100.0
88.01202	0.8
91.82527	0.2
102.94379	0.3
110.87038	0.2
112.01665	1.8
113.02441	0.6
124.96420	0.3
129.02426	0.2
142.97522	3.9
158.04466	0.5
160.55823	0.2
166.53583	0.2
194.97003	3.8
196.05542	0.2
197.10953	0.3
212.98047	4.1
214.01277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0554
Annotation	4,5'-Dimethylangelicin
Peak:m/z	Relative Intensity
59.01386	0.6
69.03437	0.7
80.67329	0.4
85.00412	0.7
85.62292	0.4
94.73626	0.4
97.02948	1.2
103.01477	0.5
105.03473	0.4
108.02168	100.0
109.02505	1.6
121.02971	0.4
123.05617	0.4
125.02459	0.6
127.93170	0.5
131.07021	0.3
143.04987	0.5
143.86514	0.9
149.32838	0.3
157.06577	4.2
158.03712	2.9
159.04442	1.2
169.06555	3.1
171.04504	2.6
177.90291	1.0
185.06065	9.6
195.76144	0.3
197.99170	1.1
212.04752	3.6
213.05545	51.1
213.18654	0.5
214.05838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60289	1.5
56.26134	1.4
67.65969	1.3
69.03445	2.8
71.05040	8.3
73.02940	5.0
76.01885	1.3
80.47684	1.4
83.05064	2.0
98.21706	2.4
107.08652	2.8
123.08178	6.1
125.06101	1.7
125.09718	16.4
134.00714	1.6
141.09201	34.6
161.48242	1.5
169.08701	100.0
170.09038	1.8
213.07610	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	213.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.5
57.03431	2.3
61.02935	0.8
71.05013	25.3
71.42945	0.7
73.02943	3.4
77.80057	0.8
79.38421	0.9
82.02979	1.1
83.05026	3.3
97.02882	0.9
97.06598	1.3
98.68382	0.8
100.04018	1.2
107.08582	0.8
109.02988	1.0
109.06576	2.3
123.08204	1.3
125.09721	100.0
126.10033	2.0
130.95096	0.7
136.05353	1.2
139.07678	1.0
141.00169	0.8
151.07639	5.5
169.08699	40.0
196.20677	0.8
213.06175	0.8
213.07719	8.8
213.14752	1.1
219.50253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0768
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
58.07778	1.5
69.35822	4.1
69.36209	2.0
71.05027	7.1
82.51009	1.4
89.75659	1.3
123.08151	3.8
125.09721	7.0
141.09215	49.2
141.10300	2.6
144.25481	1.4
169.08699	100.0
170.09044	1.7
213.07628	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	213.0768
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
57.00866	1.0
57.48111	0.8
59.01378	1.3
69.03444	2.3
69.49194	2.9
71.05013	7.0
71.47537	0.8
72.99274	0.9
73.02948	2.5
79.43004	0.9
83.05022	1.7
85.02937	2.0
97.06583	1.9
98.21935	1.9
107.08689	2.1
112.05563	0.8
123.08144	3.8
125.06111	2.0
125.09721	12.9
141.09212	38.3
151.07591	1.9
169.08698	100.0
170.09071	1.7
213.04007	0.8
213.07724	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	213.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48717	1.1
66.78989	1.2
69.69279	2.4
69.69599	2.1
71.05016	9.0
71.76559	1.4
84.38772	1.4
97.13770	1.4
101.57065	1.5
107.08710	2.0
123.08133	2.7
125.09663	6.5
141.09210	46.4
155.98166	1.3
169.08698	100.0
170.09056	1.9
205.04803	1.5
213.07675	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	213.0921
Annotation	3,3'-Dihydroxybibenzyl
Peak:m/z	Relative Intensity
55.00682	0.8
57.03436	0.8
59.01370	0.8
63.92722	0.7
79.57777	0.7
79.63853	0.7
81.03455	2.8
83.01374	1.2
93.03461	1.3
97.02976	1.0
98.21826	1.7
108.02148	1.9
122.03741	35.8
125.02493	1.1
125.87404	0.7
127.41882	0.8
137.02466	1.9
153.01843	1.0
169.06619	1.5
169.10220	3.4
170.04700	0.9
171.08151	11.4
177.90250	1.3
177.94814	0.7
194.99355	0.9
195.13945	0.7
197.99171	0.8
198.86029	0.8
213.09203	100.0
213.14908	2.3
214.09531	3.6
217.32007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03447	0.5
63.14339	0.4
69.03453	0.7
71.43578	0.4
90.12928	0.4
91.85765	0.4
97.06604	0.8
118.53545	0.4
126.98319	0.4
130.51152	0.4
149.09726	0.4
151.11296	13.1
155.32419	0.4
161.25008	0.4
169.12337	100.0
170.12617	1.8
195.10249	1.2
213.11302	22.0
213.14832	1.1
229.78075	0.4
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	(-)-Pestalotin
Peak:m/z	Relative Intensity
59.01369	8.1
66.16647	1.8
66.44032	1.9
68.99786	2.1
69.53278	9.1
73.73627	2.2
84.02200	2.4
98.21948	4.6
107.05038	2.3
111.00860	6.2
113.09073	2.2
122.03716	2.7
125.09716	2.5
127.11286	2.5
142.43338	1.9
148.78136	2.0
151.11343	2.8
155.10727	5.0
167.10760	5.1
169.12308	3.3
171.03043	2.8
185.11827	85.0
195.10303	14.8
197.71158	1.9
197.99155	2.9
213.09358	4.5
213.11298	100.0
213.14711	3.9
213.18542	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	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01373	1.0
71.43099	0.5
76.74171	0.4
82.35506	0.3
88.50311	0.3
93.03437	0.7
97.02932	0.5
97.06615	0.3
107.05033	10.2
111.08161	0.5
125.09692	0.4
169.12350	1.0
183.13893	26.9
184.14162	0.4
194.99480	0.4
195.13896	21.3
196.14241	0.4
211.13290	0.8
213.09528	2.4
213.14954	100.0
214.15340	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	213.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
68.00443	0.3
69.03439	0.4
69.22880	1.7
79.96013	0.4
80.04923	0.4
85.29279	0.4
89.10786	0.4
98.90540	0.4
108.14948	0.4
123.05611	0.6
125.06149	0.5
132.91873	0.4
167.14381	1.4
169.12289	0.5
177.90237	0.6
183.13908	5.4
192.11458	0.5
195.13898	14.7
211.13390	1.1
213.14957	100.0
214.15335	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	215.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99619	1.1
55.64966	1.0
55.67882	1.1
57.37420	1.1
59.01379	8.3
61.98833	3.0
65.00321	1.9
65.03960	1.2
71.01380	2.7
71.42832	1.0
72.99308	1.3
75.00869	2.6
81.78140	1.0
83.05003	1.1
89.02438	3.3
96.96029	3.0
99.00851	2.4
101.02457	1.2
103.01463	2.9
109.02914	1.4
116.92860	3.7
122.89424	3.3
144.00896	10.6
144.76195	1.1
156.97775	3.2
171.02010	3.4
171.96902	1.7
172.00391	2.1
177.90260	1.2
178.90312	3.6
186.89697	3.2
206.57756	1.2
215.00975	100.0
216.01309	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	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12158	0.4
59.01377	100.0
60.01712	0.6
69.47258	1.8
88.04031	0.8
90.97124	0.8
96.96013	1.0
98.21852	0.8
120.62218	0.4
130.08751	2.5
132.98183	2.7
143.11835	0.6
146.08197	0.5
174.99239	30.1
187.10847	3.8
217.00284	28.1
217.11905	2.2
218.00493	0.5
218.10286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.8
60.01700	1.7
65.25491	0.5
69.99648	1.5
71.01377	10.3
71.05014	19.2
88.04031	100.0
89.04373	0.6
91.47816	0.5
98.21883	0.7
99.04504	5.4
101.21504	0.5
116.03506	0.8
116.07151	1.9
129.05565	0.9
146.08217	47.0
147.08458	0.7
152.05258	0.4
172.67715	0.5
175.99648	0.5
200.09259	0.6
218.00569	0.9
218.10301	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	218.1032
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01385	2.9
60.01721	0.8
69.76288	1.0
69.76618	0.8
71.01010	1.0
71.01377	12.2
71.05013	16.9
72.00893	0.9
72.04551	0.5
79.03056	0.4
88.04036	100.0
89.04372	0.5
98.22575	0.7
99.04514	5.4
116.03526	0.8
116.07192	2.3
124.10929	0.4
129.05569	1.1
146.08234	47.7
147.08556	0.7
198.41209	0.5
218.00595	0.9
218.10320	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	218.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.5
60.01712	1.3
67.14574	0.5
70.77428	0.7
71.01378	12.4
71.05019	21.2
72.00903	0.8
88.04035	100.0
89.04406	0.8
99.04509	6.4
111.93414	0.5
116.03484	0.8
116.07198	3.1
129.05580	1.0
146.08226	48.5
147.08533	1.0
160.41776	0.5
165.82318	0.5
218.00786	0.7
218.10313	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0775
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.07712	0.2
55.84356	0.2
58.07449	0.2
59.01392	1.1
59.20963	0.2
61.01814	0.2
69.98796	0.6
77.55892	0.2
82.02988	0.3
85.02961	0.3
86.02489	1.2
88.04047	0.8
89.04391	0.4
92.05068	1.9
98.22576	0.3
106.20898	0.2
116.05047	0.3
119.06203	0.3
120.04578	0.7
122.81454	0.2
128.05064	0.6
130.06628	2.1
131.03777	1.1
132.04544	1.2
134.06055	0.5
141.04651	0.4
144.04596	1.4
146.04871	3.0
147.08533	0.4
157.07709	100.0
158.06102	0.3
158.08109	1.9
162.98393	0.5
164.99838	1.5
175.08778	3.4
189.76347	0.2
201.06717	3.4
218.97298	0.4
219.00667	0.3
219.07732	15.0
219.17502	1.0
220.07864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0454
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
54.54565	0.4
54.74905	0.4
55.01874	12.7
59.01375	0.6
69.77153	1.3
70.52950	0.4
103.05580	0.4
115.05527	1.4
123.04525	1.0
131.05017	9.3
133.06592	100.0
134.06915	2.1
158.03717	0.6
159.04512	10.0
177.05550	4.6
178.55275	0.4
203.03468	3.7
221.04541	7.7
221.08104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09549	0.3
50.37645	0.3
53.18708	0.4
55.01875	12.0
59.01378	0.7
65.91915	0.3
69.76949	1.1
72.04556	0.3
115.05511	1.5
131.05023	8.9
133.06592	100.0
134.06934	1.7
144.82791	0.3
158.03712	0.7
159.04515	10.9
160.04890	0.4
177.05548	3.8
185.02490	0.6
203.03482	4.0
221.02533	0.6
221.04556	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	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
51.90768	0.8
55.01888	0.8
57.03450	1.5
59.01377	100.0
61.98822	0.8
69.03464	1.1
69.39381	2.7
71.01378	20.1
73.02946	38.7
75.00874	2.1
83.01389	6.1
84.10795	0.7
85.02946	7.5
85.53221	0.7
89.02430	4.8
95.01409	1.3
97.02975	0.8
101.02442	18.2
102.95637	0.8
113.02449	19.4
125.02451	1.0
131.03539	2.8
145.02998	0.8
149.05986	0.8
150.00201	2.1
161.04546	4.7
164.58102	0.7
166.03343	1.0
177.09232	2.3
178.03387	1.2
178.98582	5.1
189.05682	1.0
220.99529	4.4
221.03999	2.3
221.06212	1.3
221.08241	2.2
221.11891	0.8
221.15514	0.8
223.70496	0.8
234.34227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
55.01878	1.2
59.01376	100.0
61.98841	0.6
69.03450	2.0
70.12028	1.1
71.01376	28.2
72.99312	0.7
73.02942	54.7
75.00875	1.4
75.36932	0.5
75.72856	0.5
83.01380	8.3
83.01829	0.7
85.02950	7.5
89.02437	6.2
95.01403	1.6
97.02939	1.2
99.00903	0.6
101.02437	23.6
113.02445	16.0
131.03525	3.6
133.06642	0.6
136.04530	0.5
161.04564	2.6
178.98552	3.6
220.99460	3.3
221.06078	0.8
221.08153	0.7
221.11652	0.5
221.15474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78726	1.9
55.86654	1.8
56.63173	1.9
59.01377	100.0
61.85365	1.9
68.87222	1.9
69.03429	2.4
69.09505	5.1
69.09924	8.8
71.01383	22.9
71.78697	2.0
73.02942	45.4
75.00846	2.0
83.01381	8.2
85.02931	9.1
89.02439	6.8
101.02444	23.5
107.05083	4.3
113.02440	20.6
115.90662	2.0
131.03468	5.3
151.04095	2.0
161.04543	3.3
184.26123	1.8
212.51692	2.8
221.08182	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	221.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03442	1.4
59.01378	100.0
61.71592	1.2
69.03461	1.3
69.32491	2.6
69.32895	2.8
71.01379	29.1
73.02944	58.5
75.00875	1.7
77.25689	0.9
83.01395	9.4
85.02952	8.8
89.02451	7.8
95.01391	1.4
98.22609	2.3
101.02439	23.1
104.15569	1.0
113.01701	1.6
113.02454	18.6
131.03513	3.1
132.81371	0.9
133.26752	1.2
161.04611	3.0
177.12895	1.7
178.98541	1.7
221.08183	1.2
221.11906	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	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01379	100.0
68.88661	3.1
69.44798	9.5
71.01383	31.5
73.02944	49.2
83.01386	5.1
85.02938	12.5
87.14955	3.5
89.02424	6.4
98.21982	7.2
101.02460	22.0
107.28739	3.8
113.02454	28.7
131.03499	6.2
143.03291	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	221.0666
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
51.91668	0.6
52.98677	0.7
55.01878	1.2
57.03441	1.6
59.01379	100.0
62.78862	0.6
63.96152	0.6
69.03469	0.8
70.11247	0.6
71.01382	6.6
71.40920	0.7
71.41360	0.7
72.99325	2.7
73.02946	5.0
75.00902	0.8
83.01395	2.2
85.02950	4.1
87.00912	1.6
87.04521	0.9
89.02467	2.8
97.02970	1.6
101.02445	9.5
113.02472	3.1
125.02524	0.8
129.01949	14.8
131.03500	0.7
133.01395	0.9
141.01918	1.7
159.02925	1.0
161.04568	7.5
180.49670	0.7
189.54939	0.8
221.06680	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.093
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.01872	7.3
59.01375	70.1
61.98819	1.4
70.82968	1.2
71.01375	2.0
72.00911	1.1
73.02953	5.3
73.04064	100.0
74.02468	0.9
74.04400	0.9
78.95890	0.9
85.02973	0.8
89.02380	0.7
91.05531	5.0
93.03426	0.7
101.02426	2.1
113.02463	1.4
116.74557	0.7
121.02949	0.7
123.04466	1.0
124.04053	0.9
127.12321	0.7
131.03494	0.7
131.05029	6.2
133.06590	59.0
134.06973	1.1
141.23796	0.8
147.04518	16.0
150.94745	1.6
159.04512	5.9
161.00397	1.7
161.04536	6.8
164.07162	22.0
177.05585	2.1
177.10347	3.2
178.98517	6.6
203.03458	1.6
214.40839	0.7
220.99602	6.5
221.02484	1.4
221.04625	6.0
221.09302	50.8
221.15300	1.4
222.09576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96748	0.4
52.81464	0.4
55.01873	8.7
57.03449	5.9
58.00594	1.3
58.60530	0.4
59.01376	100.0
59.05012	0.8
60.01713	0.5
69.03448	0.8
69.12503	1.2
69.12920	1.7
71.01377	60.9
72.99302	2.7
73.02942	33.6
74.03234	0.5
75.00868	1.8
81.03456	0.6
83.01380	16.6
85.02945	35.3
86.00090	1.9
86.00570	0.5
87.00868	2.6
89.02441	8.7
90.08640	0.4
95.01372	4.7
97.02958	1.6
99.00875	11.1
101.02438	71.0
111.00877	2.9
113.02443	29.5
119.03484	1.7
121.02948	0.8
125.02511	1.0
129.01923	1.5
131.03444	0.9
131.05016	0.7
133.06577	8.0
143.03491	1.2
153.00951	0.5
159.02963	3.7
159.04460	1.0
161.00349	1.0
161.04552	14.7
177.05591	0.7
178.98521	2.1
179.05472	0.5
220.99567	1.7
221.04544	1.3
221.10272	16.7
221.15283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.6
57.03445	4.2
58.00587	0.8
59.01377	100.0
60.01733	0.6
69.03471	0.7
70.64722	0.9
71.01377	38.9
72.99319	1.4
73.02942	22.3
75.00858	1.1
83.01382	11.0
84.02153	0.6
84.83303	0.5
85.02948	23.1
86.00114	0.9
87.00878	1.5
89.02435	6.4
95.01382	3.9
97.02980	0.9
99.00875	6.4
99.04494	0.7
101.02438	44.4
102.02770	0.6
104.48711	0.5
111.00919	1.4
113.02450	19.0
118.91602	0.6
119.03515	1.8
125.02402	0.8
129.01947	1.4
136.97502	1.0
143.03543	1.9
146.14568	0.6
148.24611	0.5
159.03024	2.1
160.84195	0.5
161.00433	0.9
161.04549	11.3
164.07169	0.7
176.94009	0.6
178.98524	7.9
201.08298	0.5
220.99577	6.6
221.10266	10.8
221.15541	0.5
222.07959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1545
Annotation	Kobusone
Peak:m/z	Relative Intensity
54.65218	0.1
59.01378	1.3
61.98815	0.1
69.62663	0.3
73.02953	0.1
96.84768	0.1
127.07629	0.3
148.05325	0.3
149.06079	0.4
151.07620	0.2
161.04605	0.2
162.83836	0.3
164.08414	1.9
165.09135	0.2
178.98615	0.2
196.07356	0.1
202.88734	0.1
205.12354	1.3
206.12671	1.1
207.13847	0.4
217.20503	0.1
219.14128	0.1
220.14693	3.1
220.84633	0.1
221.15439	100.0
221.84119	0.4
222.15790	3.2
235.13438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
54.94588	0.7
56.41359	0.7
59.01399	2.0
69.47518	1.4
69.47918	2.0
84.95019	0.7
89.91735	0.8
91.05552	1.7
92.11548	0.6
93.03449	12.2
111.79054	0.8
121.02959	32.0
134.03700	0.9
135.04524	10.9
136.01633	0.9
137.02480	0.9
145.68364	0.8
148.01648	0.9
149.02441	61.1
150.02805	1.0
151.04039	1.3
152.01152	8.9
163.04010	18.1
164.04793	54.0
165.01941	11.6
165.05043	1.7
167.03490	1.5
168.50575	0.7
169.05034	3.5
175.46935	0.7
179.07126	15.9
179.73085	0.7
180.04240	0.9
193.01414	71.3
194.01784	1.2
208.03763	100.0
209.04202	2.0
223.06108	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Calaminthone
Peak:m/z	Relative Intensity
59.01370	3.6
70.78766	1.3
91.05531	3.7
93.03462	16.7
93.04015	1.1
96.36041	0.6
121.02955	31.7
133.06557	1.3
134.03783	1.0
135.04532	11.8
136.01630	1.0
137.02437	1.2
138.03224	0.7
141.01724	0.9
148.01631	0.9
149.02440	66.8
150.02824	1.2
151.04013	2.5
152.01160	11.3
155.52057	0.7
161.06093	2.5
163.03998	19.2
164.04787	52.0
165.01933	14.2
165.05077	1.2
167.03479	2.1
169.05061	6.2
179.07130	13.4
193.01408	75.0
194.01775	2.1
207.02963	1.4
208.03755	100.0
209.04140	1.8
223.02602	2.2
223.06097	61.1
224.06479	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	223.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.0
57.02541	0.7
57.03441	4.9
59.01377	95.1
69.03426	0.8
69.36282	2.6
69.36688	1.6
71.01379	74.0
72.33739	0.8
72.99319	1.9
73.02945	38.7
75.00871	3.7
81.03450	0.9
83.01383	19.0
85.02946	44.4
87.00872	4.0
89.02442	7.5
89.68460	0.8
95.01382	4.9
97.02950	1.8
99.00887	13.5
101.02441	100.0
111.00894	1.8
113.02444	32.8
119.03543	1.0
119.05029	5.6
123.00854	0.8
125.02438	2.0
129.01958	2.3
131.03490	0.9
135.04526	0.9
141.01733	1.5
143.03485	2.9
159.03006	7.9
161.04555	36.1
163.04048	1.9
181.05022	2.0
193.01419	2.2
207.98412	1.8
208.03705	2.0
223.02713	1.9
223.06238	1.4
223.08240	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01380	38.1
61.98827	8.5
65.34830	1.5
69.03446	6.6
69.30197	4.0
69.30601	5.5
74.99069	3.7
82.98126	1.6
83.45770	1.9
86.71485	1.8
95.32648	1.8
96.96040	8.8
121.02952	1.9
126.88067	1.6
141.01735	13.4
141.86790	3.8
151.04025	3.8
160.84219	2.0
164.83585	2.5
166.06377	12.5
167.10770	6.2
176.83717	7.6
179.10741	4.5
179.14413	6.9
193.01443	4.2
194.85818	2.0
195.13913	35.5
205.12286	18.6
208.03751	6.9
211.32008	1.7
223.02863	16.1
223.05913	3.3
223.09906	5.9
223.13390	100.0
224.13838	3.0
235.56091	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	225.0769
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.11875	0.4
58.45751	0.4
59.01381	7.2
66.52319	0.5
66.75378	0.4
69.31452	1.0
69.31853	1.4
86.94270	0.5
93.03454	1.0
96.96019	0.7
118.27135	0.4
119.05029	1.2
121.02920	1.1
123.00883	0.7
123.04525	23.1
134.03746	6.3
136.05305	0.6
136.96268	0.4
137.02443	2.3
137.06064	0.9
137.72432	0.5
138.03236	1.1
139.00464	0.9
141.94832	0.4
149.02512	0.8
149.06070	4.9
150.03192	2.9
151.04004	100.0
152.04388	1.6
153.05553	0.9
154.02704	1.3
155.03503	0.5
164.04810	1.6
165.01929	5.1
165.05562	23.1
166.06346	31.4
167.06651	0.9
177.01941	1.1
180.04208	1.0
181.05107	3.0
181.08672	1.7
188.08832	0.4
192.04283	0.9
195.06612	1.7
207.06592	1.1
210.05307	0.6
224.90428	0.7
225.07672	81.2
226.07964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0921
Annotation	4,4'-Dihydroxy-alpha-methylstilbene
Peak:m/z	Relative Intensity
52.85442	0.2
55.01870	3.7
59.01374	0.6
61.98836	0.5
65.00309	0.3
69.38454	0.9
74.99092	0.2
77.74520	0.2
79.05527	1.2
92.04408	0.2
93.03492	0.2
99.00832	0.2
101.03971	0.2
107.05029	0.6
107.59926	0.2
108.38473	0.2
126.90527	0.7
132.21297	0.3
135.04504	0.9
137.02417	0.3
139.17490	0.2
147.20062	0.2
165.01930	0.3
165.07005	0.4
169.06595	2.5
178.83481	0.4
179.08675	1.7
181.10223	12.2
182.10579	0.3
195.03091	0.5
195.06628	0.3
197.05984	0.4
197.09718	0.3
210.03275	0.2
210.05249	0.3
210.06909	0.6
223.07697	0.6
224.08115	0.3
224.90494	0.6
225.09206	100.0
226.09558	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	225.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	26.5
61.98813	1.6
63.57199	0.3
75.18906	0.4
87.11235	0.3
93.03471	0.8
99.92569	1.0
126.90504	0.7
130.13206	0.3
137.02425	0.7
143.10774	100.0
143.86522	1.0
144.11111	2.2
165.02020	0.4
168.07877	0.6
178.83411	3.3
179.86786	0.3
181.16011	0.6
224.90555	1.1
225.11095	6.6
225.14975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03431	2.2
59.01374	100.0
64.10215	0.7
65.23147	0.8
69.89067	1.5
69.89397	1.2
81.03448	1.0
83.05043	0.8
95.01396	1.3
95.05029	1.3
97.06566	2.4
98.22528	0.9
117.58254	0.7
121.06580	1.4
123.00880	7.5
123.03271	0.9
125.02444	1.2
135.08147	0.9
137.02486	1.7
138.09189	1.9
146.06093	5.2
147.08133	3.3
149.02397	1.1
150.03149	1.0
151.00360	2.9
155.10744	2.3
163.11263	1.4
164.10713	0.9
165.09171	2.9
167.03561	0.9
172.36818	0.8
173.92805	0.8
177.01842	0.9
180.10309	2.1
181.12306	2.0
182.11839	1.9
190.05145	0.8
195.02972	22.5
210.05322	29.2
219.39207	0.8
225.07744	20.6
225.11290	40.8
226.10770	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.98826	1.5
64.69833	0.7
64.71871	0.6
65.73824	0.7
69.65018	1.4
69.65363	2.2
71.88230	0.6
75.03403	0.7
83.05010	0.8
93.03460	0.9
93.15533	0.7
95.05026	0.7
97.02933	8.9
98.21844	0.8
99.00858	3.8
107.04999	0.7
109.06572	2.5
110.03728	5.3
125.09723	1.6
126.90510	1.7
135.08136	1.4
136.05299	1.6
142.02686	1.4
153.12846	0.8
161.09709	1.2
163.11279	8.3
178.83408	1.8
179.10588	1.0
181.12326	28.9
182.12608	0.8
197.11751	1.4
207.10251	65.1
208.10478	1.7
224.90538	1.2
225.11302	100.0
226.11636	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
59.01377	13.8
69.03454	2.0
71.05015	1.1
78.57121	0.8
80.02676	2.8
81.03451	7.1
83.05021	4.7
84.02190	4.9
85.02946	0.9
93.03413	1.2
95.05013	1.6
97.02950	11.5
97.06611	1.2
98.22694	1.4
99.00893	1.7
99.04520	1.2
106.04247	1.0
107.05036	1.5
109.06589	63.7
110.03742	9.1
110.06944	1.1
114.30264	0.7
121.06600	4.0
123.04516	1.2
125.09715	1.2
131.76601	0.7
135.08179	8.0
136.05270	2.3
142.02736	1.9
145.10187	1.1
161.09692	2.8
163.11282	34.4
165.09172	1.1
171.58209	0.7
179.10641	1.0
181.12326	16.2
189.09142	1.9
197.11911	0.9
207.10252	100.0
208.10609	3.1
225.11310	81.3
226.11674	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	225.1495
Annotation	Annuionone E
Peak:m/z	Relative Intensity
51.28180	0.1
59.01377	100.0
60.01721	0.5
60.99307	0.3
65.00351	0.2
79.07255	0.2
93.03400	0.2
93.43217	0.2
109.06591	0.4
137.09726	0.2
160.95781	0.2
163.11221	0.3
165.01820	0.2
180.05875	0.3
181.06544	0.2
181.08672	0.7
181.12358	0.2
207.10292	0.8
224.91827	0.3
225.05647	0.4
225.07634	0.6
225.11285	1.4
225.14949	25.5
226.15213	0.5
234.14500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1607
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
58.02976	0.8
59.01363	1.3
59.08974	0.3
67.61382	0.3
70.95178	0.4
77.78959	0.3
80.05061	0.5
80.98413	0.3
81.03453	12.4
82.06628	0.6
83.05023	75.5
84.05354	0.7
107.06138	0.7
108.04550	1.1
111.00897	0.6
123.00856	0.4
125.07197	3.3
127.28619	0.3
137.02415	0.6
138.03218	1.1
143.08247	2.4
151.03969	0.4
166.02687	0.6
166.12309	0.4
181.05022	1.0
195.02979	1.2
207.15010	9.4
208.15471	0.4
210.05342	1.5
222.61974	0.3
225.04025	1.8
225.07671	0.9
225.16072	100.0
226.16348	2.6
247.00935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0559
Annotation	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
55.01866	1.4
57.03434	2.1
59.01370	1.8
69.03448	6.7
69.55917	2.8
70.02959	1.2
72.04527	1.5
78.51222	1.1
82.02988	8.6
83.05010	2.3
83.60239	0.9
85.02953	1.9
87.00864	1.6
94.04221	2.3
95.05024	8.1
96.00909	1.2
96.04533	1.7
97.02953	1.8
98.02467	7.0
98.22704	1.0
99.00874	1.1
100.04036	2.0
106.04211	2.2
109.06580	38.5
111.08153	100.0
112.04034	8.3
112.05158	1.6
112.08501	1.2
112.98788	1.3
113.02432	19.5
113.03195	1.4
113.03580	2.3
114.05546	1.3
115.04026	2.3
121.06588	30.6
122.03728	12.0
124.05299	8.7
128.73729	1.1
130.05066	7.5
130.08727	27.2
135.04478	3.1
137.06087	18.1
139.05196	1.3
139.07629	21.1
143.02007	1.1
145.03564	2.9
154.39931	1.0
155.02028	1.6
155.07144	17.7
165.05548	26.6
165.06827	2.5
171.01393	1.5
173.01108	2.1
173.03050	6.8
173.32883	1.0
181.06137	1.7
182.08102	1.3
183.06529	8.2
199.01015	2.3
209.04506	11.6
210.07840	1.0
227.00493	4.0
227.05556	6.2
227.06628	3.8
227.10272	2.1
227.20137	3.4
228.08806	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0711
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
57.90579	0.2
65.03944	0.2
68.87135	0.2
79.04076	0.2
83.05019	0.4
84.02192	0.2
93.03439	0.5
95.05056	0.3
107.05000	0.3
115.05545	0.4
117.02747	0.2
117.03456	1.6
119.05021	1.1
141.07118	1.4
143.05019	16.8
145.02931	0.8
155.08684	0.3
156.05836	0.3
157.06607	2.5
159.08141	4.5
161.72391	0.2
163.11317	0.3
164.89285	0.2
165.12782	0.3
167.04933	0.3
168.05740	0.5
180.05832	0.2
181.06601	2.1
182.07376	3.6
183.08144	5.3
183.09982	0.4
184.05276	0.6
185.06070	23.6
186.06403	0.7
193.09799	0.3
209.04596	0.3
209.11795	5.3
225.05560	0.4
227.07127	100.0
227.20125	0.7
228.07480	3.2
230.85773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0714
Annotation	cis-resveratrol
Peak:m/z	Relative Intensity
54.24261	1.0
65.00322	4.0
67.01901	1.9
68.99821	1.9
69.25684	2.5
69.26068	2.2
72.77505	1.4
81.03466	9.4
91.05552	1.4
98.21866	1.9
101.03875	0.9
104.01156	0.9
107.01399	1.1
108.02174	2.4
115.05548	13.4
117.03432	1.4
119.04234	1.6
119.05025	16.2
121.02961	5.8
122.03748	8.3
128.41214	0.9
131.08667	33.5
134.68530	0.9
135.04588	1.5
136.05331	1.7
137.02481	4.9
137.31244	1.0
137.82991	1.0
141.03502	1.0
141.07114	3.9
143.05025	23.9
145.02939	3.8
149.02594	1.0
155.08676	3.7
157.06593	24.2
159.08154	28.7
165.07132	1.0
165.12877	8.4
169.02986	1.5
180.83144	1.2
181.06619	1.8
183.08168	23.1
183.13905	24.1
185.06061	11.6
199.07646	70.9
200.07990	2.0
209.06052	1.6
209.11897	2.3
225.05621	1.0
227.07143	100.0
227.10788	4.1
227.12680	5.7
227.20146	1.8
228.07451	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59602	0.2
55.01875	2.3
69.37959	1.0
79.05508	0.3
89.78155	0.2
91.05551	0.4
95.05036	1.3
98.21866	0.5
101.28139	0.2
106.21585	0.2
114.62128	0.2
122.03745	0.4
127.29188	0.2
128.02928	0.2
136.05304	25.5
137.05629	0.5
139.03996	0.5
141.12395	0.2
151.04012	0.8
169.06702	0.3
171.08185	1.3
183.11794	1.5
209.11856	1.2
209.34154	0.2
211.04428	0.2
225.09166	0.3
227.10779	100.0
228.11124	3.7
236.88466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07983	0.2
53.03117	0.2
55.01877	2.2
55.70067	0.2
59.01384	0.3
59.59493	0.2
60.76204	0.2
66.48188	0.2
70.19380	0.2
71.41736	0.2
79.05534	0.3
91.05558	0.6
95.05028	1.4
101.02435	0.2
105.07086	0.5
109.02936	0.2
122.03755	0.7
123.04533	0.3
129.07184	0.2
135.04526	0.8
136.05302	25.9
137.02426	0.3
137.05589	0.4
139.04019	0.5
139.11304	0.2
151.03999	1.2
156.05803	0.3
167.03470	0.2
168.04247	0.3
169.06609	0.4
171.08159	1.3
183.11746	1.5
188.60609	0.2
204.95041	0.2
209.09712	0.7
209.11816	0.6
225.09256	0.3
227.10774	100.0
228.11093	3.3
243.71286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1076
Annotation	Nabumetone
Peak:m/z	Relative Intensity
59.47761	0.4
60.93717	0.4
61.10309	0.4
69.82118	1.2
72.84179	0.4
74.02488	0.5
95.05035	1.8
121.02958	0.6
122.03723	1.3
123.04456	0.6
135.04524	0.9
136.05301	29.9
137.02411	1.3
137.05690	0.4
139.04018	0.6
139.11374	0.5
150.03212	0.8
180.83041	0.8
183.11792	0.8
183.13898	0.6
185.09689	2.8
194.87096	0.4
199.13303	0.7
209.11803	0.4
209.17787	0.4
210.46968	0.4
216.08508	0.4
227.04965	1.9
227.10771	100.0
228.11079	3.6
228.15868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1078
Annotation	Nabumetone
Peak:m/z	Relative Intensity
53.19641	0.2
55.01877	2.4
67.64781	0.3
69.77898	0.5
79.05501	0.3
83.05009	0.4
91.66792	0.3
93.03436	0.2
95.05039	1.5
98.22657	0.4
105.07058	0.3
107.05019	1.0
108.05357	0.6
122.03725	0.6
123.04533	0.3
135.04524	1.3
136.05307	24.8
137.05658	0.4
139.03990	0.7
139.11346	0.3
151.03999	0.7
168.04237	0.4
169.06561	0.6
171.08173	1.7
181.10298	0.3
183.11766	1.8
183.13626	0.6
186.24069	0.2
207.03377	0.2
209.11816	3.3
225.09261	0.5
226.09709	0.4
227.10768	100.0
228.11070	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
59.01386	0.8
80.02658	2.3
81.03441	2.1
83.01393	0.5
83.05019	8.4
84.02172	4.5
95.05061	0.6
97.06602	0.8
104.64173	0.4
107.05059	0.5
109.06625	0.6
111.08135	0.7
121.04021	0.5
125.06064	0.7
125.09718	0.6
135.08148	1.2
139.11299	1.0
152.88762	0.4
162.56100	0.5
163.11293	5.7
165.12854	7.2
179.78267	0.5
181.12367	0.9
183.13878	3.7
185.25870	0.5
191.10779	1.6
206.24443	0.6
209.11830	100.0
210.12210	2.5
227.03072	0.5
227.09418	0.7
227.12894	16.5
227.20201	1.1
239.77344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.22449	0.2
53.83456	0.2
55.01874	0.2
57.02583	0.2
57.03451	0.2
70.36863	0.2
71.05008	0.5
80.02677	2.1
81.03453	2.2
82.61867	0.2
83.01399	0.6
83.05028	7.0
84.02164	3.9
91.01384	0.2
95.05028	0.8
97.06572	0.6
101.21169	0.2
109.06593	0.4
111.08167	0.3
112.47095	0.2
123.07187	0.2
125.06077	0.7
125.09744	0.6
125.75208	0.2
135.08138	0.9
139.03969	0.4
147.11784	0.4
149.09715	0.2
153.12811	0.3
163.11288	5.9
164.11586	0.2
165.12839	3.8
181.12416	1.0
191.10750	1.7
209.11819	100.0
210.12154	3.1
218.20387	0.2
227.12885	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
59.01377	2.2
67.01907	0.6
69.73274	1.9
81.03442	0.6
111.08147	0.9
115.05547	1.5
119.05032	0.9
131.08673	2.5
139.11295	1.0
143.04980	1.2
157.06598	1.8
159.08145	2.0
163.11314	0.9
165.12837	21.3
183.08162	1.7
183.13898	100.0
184.14346	2.8
185.11810	1.3
199.07628	5.3
199.13382	0.5
201.58812	0.5
209.11833	14.2
227.07156	8.3
227.12878	23.3
227.16389	1.0
227.20201	0.7
228.13106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.28988	0.3
58.05576	0.3
59.01364	0.7
59.40944	0.3
60.16730	0.4
62.67108	0.4
67.01889	0.5
69.53472	1.5
71.05003	0.6
80.02668	1.8
81.03455	1.9
83.01387	0.7
83.05023	7.4
83.05496	0.3
84.02148	4.0
95.05025	1.3
95.96511	0.4
109.06577	0.6
111.00885	0.3
111.04561	0.3
123.92924	0.3
125.06073	0.5
125.09689	0.5
135.08145	0.9
139.03986	1.3
163.11287	5.3
165.09084	0.5
165.12833	3.7
181.12318	1.1
183.10242	0.6
191.10799	1.5
209.11815	100.0
210.12077	2.4
227.03526	2.5
227.07214	0.8
227.09184	0.6
227.12866	3.6
227.20203	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	228.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01875	1.2
55.25169	1.1
57.20917	0.8
69.23289	4.9
72.04148	1.8
72.04542	35.7
82.02976	100.0
82.06631	1.9
83.01375	2.7
83.03307	1.0
97.01715	1.0
98.02470	41.3
98.06075	1.2
98.21857	2.0
100.04039	47.4
121.06561	3.1
124.43626	0.9
128.10814	2.8
130.08781	5.0
147.23267	0.9
154.08722	1.2
166.08757	1.9
182.08205	18.0
184.09785	3.9
228.08752	76.4
229.09123	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.087
Annotation	bis-(4-hydroxybenzyl)ether
Peak:m/z	Relative Intensity
59.01376	0.6
61.85515	0.2
70.97408	0.2
72.64511	0.2
75.32714	0.2
79.05524	0.5
81.03457	29.0
82.03767	0.4
93.03471	1.0
103.01565	0.2
103.23502	0.2
106.04243	0.4
122.03775	0.2
123.04526	100.0
124.04880	1.8
135.04527	0.9
159.08115	0.6
183.08119	0.5
187.07599	0.2
197.01433	0.2
197.11963	0.2
211.07578	0.3
229.02562	0.5
229.08690	24.6
229.14484	0.5
230.09073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.108
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
59.01368	1.1
69.13709	2.5
69.14110	2.0
71.05025	0.7
74.34544	0.8
77.59405	0.7
85.06592	9.0
99.04516	100.0
100.04858	2.1
109.64756	0.6
121.00706	0.7
125.02427	4.1
125.09684	0.8
148.02480	0.7
149.06096	1.4
167.10748	1.7
185.11818	34.3
187.11958	0.9
198.45699	0.8
229.02553	1.1
229.05034	1.0
229.08806	0.9
229.10834	13.4
229.14484	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.92388	0.6
57.03455	0.8
69.69666	2.4
74.80724	0.6
75.28139	0.6
79.38770	0.6
98.21907	0.8
99.42020	0.6
107.30389	0.6
108.02173	1.4
123.04550	0.7
123.08087	0.7
125.09711	1.7
126.14700	0.7
127.11303	3.5
130.06566	0.9
131.08644	1.3
149.61902	0.6
155.14407	0.9
156.79625	0.7
165.12833	0.9
167.14406	1.5
170.48549	0.6
171.10268	3.1
183.13765	1.3
185.07169	1.5
188.04716	1.1
193.12283	0.9
199.07654	1.8
203.07140	1.7
209.11806	2.5
211.13400	9.7
229.02614	1.1
229.08675	1.9
229.14447	100.0
230.14615	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	229.1556
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
66.03491	0.5
69.19138	2.7
73.20699	0.4
82.06632	0.5
87.00873	0.6
98.06097	0.6
99.92571	0.8
114.09254	1.3
115.08759	5.0
115.92043	0.6
116.92876	0.8
130.08740	32.0
185.08192	0.6
185.16597	29.0
186.17073	0.5
191.16835	0.5
229.15558	100.0
230.15854	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	229.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47882	0.4
59.01373	0.7
66.03497	1.0
68.30699	0.4
70.18501	1.0
70.74809	0.5
71.01354	0.6
72.00906	0.5
77.19691	0.4
82.06628	6.0
87.00880	0.5
96.50791	0.4
98.21980	0.5
99.04504	0.7
100.07674	1.1
104.37446	0.4
112.07684	1.2
116.07175	35.0
123.08134	0.7
129.10352	1.6
130.08731	2.4
141.09233	1.2
168.13968	4.5
168.36015	0.5
178.88068	0.5
185.08156	0.6
185.16591	32.1
207.68225	0.4
229.15561	100.0
230.15843	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31276	0.6
59.01375	1.6
70.02983	2.3
71.01382	11.1
88.04037	100.0
96.99311	6.4
110.91489	0.6
114.01959	8.8
114.09245	74.1
115.00365	21.2
115.07645	33.6
115.09589	1.0
132.03059	3.6
134.45128	0.6
140.10806	0.9
153.67407	0.7
156.65114	0.7
168.10271	3.6
186.11346	28.9
200.07916	0.6
212.09271	6.1
230.10318	54.1
230.17619	1.8
231.10567	1.7
247.45856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67358	0.7
57.03439	1.4
59.01360	1.4
60.99293	2.9
72.00920	1.1
74.02470	100.0
84.04537	1.0
104.03541	17.5
107.97684	0.7
125.09718	14.2
141.12843	4.9
143.10748	1.4
154.12373	11.8
156.13962	4.0
168.13928	26.4
169.14319	0.7
169.86891	0.8
182.10316	1.2
182.11848	17.5
200.12909	53.3
201.13274	0.9
230.13931	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0775
Annotation	13113-08-1
Peak:m/z	Relative Intensity
51.34159	1.7
55.01849	3.0
57.03430	2.9
58.02974	8.9
59.01373	17.3
69.03455	2.2
69.15024	5.9
69.15455	5.1
69.40096	1.5
71.01326	2.4
71.05014	13.4
72.00883	6.0
72.99281	1.7
73.02934	12.6
74.02467	11.7
78.29760	1.8
79.17745	1.5
83.04995	5.3
84.00900	9.3
87.00835	3.3
97.02919	3.8
97.06541	5.7
100.00372	3.0
102.01968	56.6
107.05006	1.8
109.06560	3.6
113.02406	2.0
113.06023	3.9
116.05063	25.9
123.82505	1.5
125.09721	54.1
127.03951	4.8
127.07641	19.0
128.05074	1.8
129.05602	2.2
130.06673	9.9
130.08649	1.9
132.96873	1.6
139.07651	9.5
142.06577	7.3
144.04568	10.1
144.64627	1.6
145.04994	2.4
151.07529	4.8
157.08702	10.5
158.06020	3.4
160.06386	1.9
160.07632	10.8
169.08727	37.1
171.06650	2.5
183.06505	2.6
184.97275	1.7
185.05602	4.7
187.08691	27.5
188.97066	2.6
189.07686	8.8
201.07677	22.7
213.07684	20.2
230.99716	2.3
231.07645	100.0
231.15723	2.0
232.08020	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	231.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63898	0.8
59.01378	27.6
64.39542	0.9
69.03451	0.8
71.01379	1.3
71.05006	2.1
71.06358	1.2
72.99307	2.3
73.02947	8.2
83.05019	1.9
85.02934	1.4
87.04536	1.6
89.08040	0.9
91.17855	0.7
97.06591	3.3
97.49331	0.8
99.04492	1.3
99.08150	1.3
107.08687	0.9
109.06580	7.2
113.06095	1.7
115.03993	1.1
116.07136	0.8
125.06081	2.0
125.09707	5.5
127.07653	100.0
128.07936	1.7
135.04564	0.9
135.79459	0.9
143.03546	1.4
143.07150	10.8
145.05080	3.0
151.07660	3.0
169.08669	11.1
169.09842	1.4
171.06633	20.1
189.07681	69.6
190.07988	2.4
191.05627	1.3
212.51021	0.9
213.07689	12.7
231.06642	1.4
231.08742	17.6
231.12433	3.1
232.09061	0.9
245.82590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63898	0.8
59.01378	27.6
64.39542	0.9
69.03451	0.8
71.01379	1.3
71.05006	2.1
71.06358	1.2
72.99307	2.3
73.02947	8.2
83.05019	1.9
85.02934	1.4
87.04536	1.6
89.08040	0.9
91.17855	0.7
97.06591	3.3
97.49331	0.8
99.04492	1.3
99.08150	1.3
107.08687	0.9
109.06580	7.2
113.06095	1.7
115.03993	1.1
116.07136	0.8
125.06081	2.0
125.09707	5.5
127.07653	100.0
128.07936	1.7
135.04564	0.9
135.79459	0.9
143.03546	1.4
143.07150	10.8
145.05080	3.0
151.07660	3.0
169.08669	11.1
169.09842	1.4
171.06633	20.1
189.07681	69.6
190.07988	2.4
191.05627	1.3
212.51021	0.9
213.07689	12.7
231.06642	1.4
231.08742	17.6
231.12433	3.1
232.09061	0.9
245.82590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1025
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.10215	0.8
53.28068	0.7
58.99257	0.8
59.01374	2.6
67.18132	0.8
69.88931	2.4
70.97736	0.8
72.99288	1.1
73.02950	1.4
73.65447	0.7
80.08922	0.7
82.06627	0.8
98.21981	1.3
100.50461	0.8
132.05809	95.3
133.06178	1.9
133.74670	0.9
143.86540	0.9
146.47629	0.8
164.04793	22.7
169.86832	8.2
170.88358	4.9
172.88013	1.7
176.04799	2.5
187.11273	100.0
188.11617	2.9
208.03818	0.9
231.10248	78.2
232.10661	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	231.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
56.84739	0.7
59.01370	3.4
65.59078	0.7
68.99817	46.8
72.99294	0.9
75.92347	0.7
83.05029	2.4
91.05541	2.9
97.02940	1.1
99.04516	1.4
108.13490	0.8
111.04528	1.9
115.05537	0.8
121.02970	1.9
122.03738	93.3
123.04061	2.0
131.05042	1.9
133.06610	5.3
139.04012	15.7
140.04317	1.4
143.04993	1.0
154.02690	3.7
161.09749	4.7
161.27945	0.8
182.18857	0.8
185.11768	1.1
189.09148	1.9
191.97574	0.8
192.01088	1.0
193.04941	1.6
213.09206	100.0
214.09558	4.3
230.15451	0.9
231.06712	1.2
231.10269	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	231.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74090	0.6
59.01373	3.2
64.82330	0.7
69.23251	4.0
72.99291	2.7
73.02924	0.8
75.00858	3.1
78.95918	0.9
83.86192	0.7
87.00873	45.2
98.22691	1.7
105.01931	70.6
106.02270	1.0
116.92905	0.8
121.18458	0.7
143.10773	100.0
144.11043	1.0
156.89227	0.8
162.45375	0.7
169.86836	3.5
170.88327	1.4
231.12346	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	231.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.2
69.91699	2.1
70.36311	0.8
71.01356	1.1
71.05032	1.0
72.00893	1.3
72.99292	2.5
73.02937	2.1
73.04068	15.8
78.95900	1.3
83.05009	1.2
85.02970	1.2
87.00874	1.9
93.37758	1.0
97.06602	1.3
98.22535	1.4
99.92551	1.5
100.93344	1.3
112.09988	0.9
114.00201	1.0
114.09209	1.4
115.92059	1.8
116.92851	7.9
125.06099	1.5
125.09687	2.4
127.04010	1.3
127.07608	2.5
130.08734	91.8
131.08257	3.5
131.09113	1.4
135.75607	0.9
136.58597	0.9
141.05537	1.2
141.10335	1.6
143.03647	1.1
143.07085	2.1
143.11891	24.4
147.04515	2.5
164.07140	6.3
169.05058	1.1
169.08687	2.9
170.88351	2.9
173.10464	1.8
175.42192	1.2
187.10870	100.0
188.11163	1.9
188.97180	1.3
189.07657	1.7
213.07724	1.6
230.95978	1.1
231.01529	1.7
231.06702	1.6
231.08734	5.6
231.13499	30.4
242.65303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1348
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
59.01379	11.6
60.48507	1.0
66.01818	0.9
68.68430	0.9
71.05020	1.4
72.99309	4.9
73.02940	2.0
73.03687	1.5
73.04070	15.3
78.95908	2.4
85.02956	1.0
87.00890	2.2
92.28675	0.9
99.92642	1.8
100.39031	1.2
100.93375	1.7
115.92074	4.6
116.92863	14.7
119.35348	1.1
125.09707	3.1
128.58171	1.0
130.08740	88.7
131.08258	2.7
132.98189	1.6
138.14026	1.0
143.11908	26.9
151.07674	1.3
164.07138	2.7
169.08731	1.8
170.88266	7.4
171.01535	1.3
173.04588	1.1
173.10262	1.3
186.93137	1.7
187.10878	100.0
188.11206	1.6
188.97183	4.0
189.07753	2.0
191.38768	1.1
201.07785	1.3
203.07442	1.0
212.90556	1.1
213.07692	1.3
230.96010	1.2
231.06641	1.9
231.08705	5.7
231.13487	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61898	1.4
57.03447	14.2
59.01378	100.0
60.89581	1.6
65.31134	1.3
67.01894	4.0
68.99831	2.0
70.12232	3.0
70.12566	1.6
71.01382	46.2
71.05020	2.0
72.09244	1.3
73.02943	10.3
83.01385	12.6
85.02945	9.6
87.00868	2.6
93.03469	8.5
94.99306	1.3
96.96031	4.6
99.00879	59.9
99.01533	3.1
101.02451	3.0
108.93717	2.7
111.00883	21.5
111.97598	1.5
113.02467	2.1
115.03999	20.1
129.01941	26.2
139.04041	1.8
145.00844	7.1
159.02991	21.7
173.00922	6.5
173.04572	7.6
174.94789	3.0
176.96402	12.4
178.97888	8.1
188.96332	1.8
188.99838	4.9
191.49080	1.5
196.98506	1.9
215.07127	3.0
232.95352	6.7
232.98991	7.4
233.06680	6.1
233.10368	2.1
233.15451	34.6
233.17632	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.103
Annotation	ascr#11
Peak:m/z	Relative Intensity
54.21478	0.7
55.01871	2.2
57.03452	0.8
59.01379	31.9
70.59971	1.3
70.60313	0.9
71.05017	3.6
73.02940	38.1
76.33963	0.8
82.90533	0.8
85.02946	1.8
85.06593	7.4
90.32835	0.7
91.28300	0.7
93.03459	1.3
95.05011	2.8
97.02972	4.1
97.06587	20.0
100.23085	0.7
101.06065	1.9
111.04507	17.1
113.06095	8.3
115.04020	1.8
116.99482	0.8
129.05577	51.8
130.05844	0.9
135.08150	2.7
139.04007	19.6
141.05571	11.9
153.09200	31.8
154.09502	1.1
157.05032	4.8
171.10263	8.4
173.04584	3.9
179.07164	5.6
188.98544	2.4
197.08171	27.8
201.04050	12.5
215.09216	100.0
216.09592	2.6
232.97574	2.3
233.07982	1.7
233.10297	33.8
233.15431	19.1
234.10789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1029
Annotation	ascr#11
Peak:m/z	Relative Intensity
57.03447	1.0
59.01375	77.6
69.03436	4.2
69.52554	2.5
71.01376	4.2
71.05011	19.6
73.02921	0.8
75.00860	1.3
81.03432	1.1
83.05018	5.2
87.04520	3.0
93.03451	1.5
96.96008	2.2
97.06566	1.6
99.04511	1.8
99.08157	1.5
101.06078	9.4
110.69702	0.6
111.04517	1.5
113.02436	7.1
115.04006	5.9
115.07658	1.0
125.06061	2.2
125.09724	1.5
127.11305	0.7
135.08139	4.6
137.92918	0.7
143.07080	3.6
143.10768	5.8
144.99477	0.8
147.03239	0.9
153.09198	22.6
155.07103	3.3
169.08670	2.3
171.10260	17.3
171.11375	0.5
172.87964	0.8
173.04532	2.0
175.06047	0.8
187.09708	0.9
188.98560	7.2
189.11298	1.8
190.98734	0.8
197.08173	9.4
215.07158	1.9
215.09209	27.3
231.08621	0.9
232.97514	4.8
233.10278	100.0
233.15382	27.6
234.10628	3.1
234.15788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30771	0.3
52.97961	0.3
57.21415	0.3
59.01369	0.7
60.97507	0.5
69.10899	1.9
69.57993	0.3
72.19579	0.3
74.99067	8.3
74.99467	0.6
88.17601	0.3
91.02221	1.1
93.00133	2.0
97.28837	0.3
118.96278	1.1
133.98697	0.3
134.99399	7.4
136.97314	2.2
143.05339	1.0
149.00954	69.1
149.09303	0.3
150.00909	1.6
150.98900	0.5
152.96867	0.3
159.08467	1.5
161.06427	3.3
167.01967	0.4
201.04128	0.4
206.68408	0.3
215.05632	1.4
217.07207	92.8
218.07315	3.3
233.10338	100.0
234.10454	3.8
235.08229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.15
Annotation	Huperzine W
Peak:m/z	Relative Intensity
53.65401	0.3
69.28045	2.1
79.62048	0.4
97.41872	0.4
98.21803	0.4
100.96806	0.4
100.97579	0.4
159.73360	0.4
204.15111	0.7
207.02216	0.4
218.11754	1.8
219.12619	1.7
234.14967	100.0
235.15306	3.4
251.11638	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	235.061
Annotation	5,7,8-Trimethoxycoumarin
Peak:m/z	Relative Intensity
53.66781	1.8
55.01864	7.8
59.01379	37.2
68.54372	1.6
68.72475	1.7
71.01381	3.1
91.05535	61.7
98.21895	5.9
99.00880	100.0
100.01667	11.8
125.99596	3.9
129.07118	10.6
132.00510	2.3
145.06584	4.6
147.08160	20.5
149.06078	4.5
162.03297	2.7
162.89230	1.8
173.06056	15.5
191.07132	83.5
192.07471	2.1
204.99532	1.9
211.04141	2.3
232.54639	2.0
235.03876	3.6
235.06090	44.2
235.09720	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	235.0975
Annotation	Pyrenochaetic acid C
Peak:m/z	Relative Intensity
50.21820	0.4
59.01381	5.1
83.71780	0.4
93.03414	0.7
119.91007	0.5
121.02950	5.3
121.06586	0.6
122.03711	0.5
129.07179	0.5
133.02983	2.7
135.04514	0.7
147.74767	0.4
150.43158	0.5
158.07297	0.7
159.04474	0.7
159.08139	0.6
161.06049	0.9
163.84673	0.4
164.04747	1.5
165.01944	1.5
173.06085	0.7
175.07643	8.2
176.08426	21.2
177.01933	1.5
177.08739	0.7
179.03468	1.3
179.52678	0.5
191.10773	12.2
201.05547	0.8
203.07248	1.3
205.05054	1.6
205.08638	1.3
217.08725	1.4
219.06650	8.7
220.07397	75.6
221.07687	2.3
221.33675	0.5
235.09749	100.0
236.10072	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	235.0974
Annotation	Pyrenochaetic acid C
Peak:m/z	Relative Intensity
55.31800	0.3
59.01364	1.1
70.73360	0.4
86.70415	0.3
93.03458	0.7
94.75925	0.3
109.74532	0.3
110.17407	0.3
121.02948	6.3
133.02960	2.7
135.04498	0.5
137.67513	0.3
139.00337	0.6
144.05737	0.3
150.26883	0.3
158.07330	0.8
159.04475	0.9
159.08153	3.3
161.06078	2.3
165.01901	2.4
175.07632	8.8
176.08415	24.8
177.01900	1.0
177.08772	0.6
179.03400	1.6
179.07095	0.7
183.77086	0.4
191.07082	0.6
191.10770	15.3
202.15024	0.3
203.07106	1.1
205.05080	1.8
219.06604	9.9
220.07388	84.5
221.07732	2.1
230.93417	0.3
235.09735	100.0
236.10039	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	235.1088
Annotation	ALANYL-dl-PHENYLALANINE
Peak:m/z	Relative Intensity
59.01376	26.3
62.88363	0.5
69.55348	2.3
70.02978	2.9
71.01354	0.7
72.00913	1.1
74.02474	0.9
83.39209	0.5
85.02928	0.7
87.05634	100.0
91.05528	10.1
92.05038	0.7
96.96958	0.6
102.42634	0.5
116.03478	0.6
131.97263	0.9
135.04543	0.6
144.04573	0.5
147.03337	1.1
147.04510	21.8
148.04001	1.9
164.07146	9.0
173.07191	1.1
178.96037	0.8
190.98639	1.1
191.11906	4.4
192.02596	1.9
207.95222	1.4
210.45232	0.5
234.97595	1.5
235.10858	95.7
236.11264	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	235.1187
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
55.01685	0.9
55.01885	8.9
57.03449	6.4
58.00573	1.0
58.15357	0.8
59.01379	100.0
61.49231	0.7
71.01382	69.8
71.05021	1.7
71.41779	0.9
71.42201	1.1
72.01750	0.9
72.99307	3.5
73.02946	34.7
73.06571	2.5
75.00845	0.9
83.01389	19.0
85.02949	39.5
85.03472	1.9
86.00084	1.7
87.00878	3.9
89.02452	8.0
95.01417	5.0
96.95983	1.4
97.02914	1.4
99.00884	13.1
101.02441	77.8
105.03769	2.1
106.56021	0.8
111.00896	2.0
112.39961	0.8
113.02452	32.7
114.02814	1.0
119.03470	1.4
125.02498	1.7
129.01945	2.3
131.38135	0.8
131.97183	1.1
136.59227	0.9
143.03516	1.9
143.07069	1.1
159.02971	6.4
161.04559	20.8
179.06932	1.1
181.08492	1.4
207.95259	1.4
234.97507	1.6
235.06358	2.4
235.11823	24.1
235.13995	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	235.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.3
57.03440	4.7
59.01376	100.0
60.52357	1.0
69.03462	1.2
69.07986	3.2
69.08395	2.3
71.01380	60.0
71.05009	1.9
72.99306	2.0
73.02942	31.4
73.06580	3.8
75.00874	1.4
83.01382	17.7
85.02948	36.0
86.00083	2.0
87.00855	2.5
88.93298	0.9
89.02458	4.6
94.72660	1.0
95.01379	5.3
97.02940	1.7
99.00871	10.2
101.02438	80.0
111.00872	2.7
113.02444	26.5
129.01939	1.3
143.03494	1.9
143.07184	1.8
159.02975	4.2
161.04552	18.9
173.06013	3.8
191.07162	1.5
193.47003	1.2
202.23701	1.0
207.95163	1.7
235.06136	3.0
235.11839	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1187
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
55.01879	10.2
57.03445	5.7
58.00568	0.9
59.01377	100.0
59.27082	0.8
68.71405	0.7
69.03436	1.1
70.26186	0.7
71.01379	80.2
71.05007	2.3
72.99287	3.6
73.02945	40.7
73.06577	3.1
75.00871	2.3
83.01384	24.7
85.02948	50.0
86.00077	2.6
87.00896	3.8
89.02435	9.1
95.01380	6.7
96.89091	0.8
97.02943	1.4
99.00883	13.8
101.02441	94.2
106.04234	3.0
111.00860	3.3
113.02449	38.1
119.03481	2.4
125.02443	1.6
129.01927	2.4
131.03502	0.7
143.03452	2.8
143.31773	0.7
145.06607	0.9
147.08144	6.4
148.05301	0.9
159.02954	7.0
161.04553	24.9
163.04033	0.8
163.07632	9.0
173.06067	2.9
174.73227	0.8
191.07159	1.2
235.06134	2.2
235.09747	1.6
235.11838	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1187
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
55.01879	9.5
55.58490	0.8
56.36049	0.8
57.03439	5.3
58.00573	1.2
59.01377	100.0
69.03452	0.8
70.52241	1.0
71.01379	72.8
71.05014	1.4
72.99299	2.1
73.02947	34.9
73.06580	1.9
75.00854	2.0
83.01379	18.7
85.02952	42.0
86.00081	1.3
87.00871	3.8
87.96760	0.8
89.02436	6.0
93.85927	0.8
94.02986	1.0
95.01395	5.5
97.02958	2.1
98.21983	1.2
99.00883	11.6
101.02442	76.3
105.03797	8.4
111.00855	1.3
113.02442	32.9
117.38334	0.7
119.03480	1.9
125.02437	1.2
129.01877	2.1
130.52710	0.8
143.03531	1.8
159.02963	5.4
161.04544	20.0
175.04376	0.9
193.05363	2.0
218.68781	0.8
221.03386	0.9
234.97391	1.5
235.11832	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98814	0.1
70.13174	0.1
70.44960	0.1
77.84884	0.1
95.28500	0.1
99.94334	0.1
134.03748	0.5
135.04524	0.3
136.05281	0.4
148.05299	7.6
149.05995	0.4
149.09712	1.0
161.06129	0.1
162.06862	0.3
164.08408	0.2
175.07666	0.3
176.08478	0.6
177.09206	40.8
178.09560	1.3
180.07910	0.1
190.09985	1.7
191.10806	0.8
192.11557	28.6
193.11948	1.0
201.09212	0.5
203.07124	0.7
217.08704	3.0
218.09471	7.5
219.09880	0.3
236.10533	100.0
237.10898	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	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	20.1
77.03992	0.3
98.22647	0.6
100.91849	0.2
103.05443	0.2
114.99560	0.5
115.00376	9.6
121.02955	100.0
122.03269	1.7
123.06908	0.4
135.54640	0.2
150.04247	0.2
162.09343	0.2
237.04079	0.3
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
53.58952	0.3
54.57823	0.4
56.02729	0.3
57.31652	0.3
59.63224	0.4
70.49858	0.7
71.01379	20.0
71.96306	0.3
77.03960	0.4
95.03274	0.3
112.64333	0.4
115.00371	9.1
121.02952	100.0
122.03300	1.5
199.75496	0.3
251.22348	0.3
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
61.32704	0.3
69.46562	1.0
69.46910	0.7
71.01380	18.7
77.03908	0.4
112.86870	0.4
114.65816	0.3
115.00368	9.6
121.02952	100.0
122.03241	2.2
159.90352	0.4
214.52162	0.4
253.21397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31020	0.3
66.50149	0.3
69.44966	0.7
69.45347	0.8
71.01377	19.4
74.83937	0.4
77.03968	0.4
93.91282	0.3
108.37476	0.3
115.00367	9.7
119.54388	0.3
121.02950	100.0
122.03317	2.1
124.53468	0.4
191.83922	0.4
237.04083	0.4
239.62953	0.3
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
59.01374	3.5
62.48917	0.4
69.34377	1.9
71.01377	18.3
80.96519	0.7
87.00863	1.0
89.06047	0.7
93.03452	0.6
106.98995	0.5
115.00362	9.3
121.02950	100.0
122.03288	1.5
131.08626	0.5
149.06134	0.6
150.09239	0.7
161.04486	0.5
177.05530	0.5
191.05550	1.0
193.12364	1.2
193.56677	0.5
193.72586	0.5
237.07634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34412	1.8
69.34784	1.1
71.01377	20.1
78.16430	0.6
98.33064	0.8
115.00377	8.3
121.02953	100.0
122.03320	1.7
139.96127	0.8
152.62091	0.7
222.59155	0.7
229.15172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03413	0.8
55.01874	9.6
57.03461	6.1
59.01377	95.2
71.01379	96.7
72.99313	1.7
73.02946	44.1
75.00865	3.1
77.23709	0.8
80.96526	1.9
81.03455	1.2
83.01388	18.2
84.40495	0.8
85.02948	50.7
87.00867	4.4
89.02440	15.6
95.01396	6.9
97.02940	2.0
99.00883	14.3
101.02441	100.0
101.52000	0.8
102.02707	1.1
111.00873	0.8
113.02446	41.1
114.02824	0.8
114.73605	0.9
119.03507	4.0
121.02956	1.6
125.02409	1.9
129.01958	1.3
143.03482	3.7
149.06038	1.0
159.02972	10.1
161.04559	51.3
162.04890	1.2
182.73813	0.9
237.04344	1.2
237.09781	32.9
237.12172	1.6
238.10173	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	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.70072	1.3
57.03447	14.1
59.01367	6.2
69.82311	1.4
69.82626	2.6
70.90811	1.4
78.95883	1.5
83.05054	2.2
116.92832	1.9
121.02944	1.9
167.10721	2.3
177.12976	1.5
179.10756	5.3
193.15944	3.6
195.13892	3.6
237.14949	100.0
238.15372	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	238.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57998	0.3
55.01884	0.9
59.01375	3.4
69.05967	2.3
82.02980	0.9
84.04542	57.6
85.04865	0.7
87.00869	0.5
93.03444	0.4
97.06600	2.4
98.42665	0.3
107.05019	1.0
109.05882	0.6
109.06587	8.4
122.03736	0.3
123.04507	1.3
124.32225	0.4
125.06092	1.3
135.04515	0.9
151.07611	0.4
153.04428	0.5
153.05583	6.7
161.04546	0.4
179.05627	2.2
220.09772	1.1
223.02866	0.6
238.10826	100.0
239.11176	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	239.0559
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.17276	0.9
59.01376	33.6
71.01365	2.8
80.96497	1.0
83.05029	1.1
85.02926	1.9
87.00873	11.9
89.02431	1.2
93.03433	3.0
96.95972	1.3
99.00832	1.4
101.02400	1.3
104.00063	1.0
106.04231	2.8
107.05027	28.7
108.02148	3.0
109.02936	2.0
113.02504	1.1
117.01949	1.4
121.02925	5.9
129.79543	1.2
133.06596	16.6
135.04463	4.9
137.02435	3.1
141.01878	1.1
149.06073	37.7
150.03258	1.2
151.03996	2.7
151.07631	1.9
161.04501	4.1
177.05565	42.8
179.03485	64.9
179.05573	27.0
181.01414	3.6
188.04680	1.0
193.05029	1.9
195.03044	1.2
195.06590	7.7
195.10246	1.7
195.14006	1.0
196.03700	2.2
221.04521	2.9
223.02708	5.5
224.03258	2.0
239.05591	100.0
240.05981	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	239.056
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
59.01376	60.3
59.66167	1.1
70.54241	2.3
71.01367	3.5
74.56130	1.2
74.99048	1.2
78.95889	1.3
83.01430	1.3
85.02950	2.4
87.00880	10.1
89.02438	2.2
96.96021	1.8
99.00868	3.5
101.02442	2.0
103.44546	1.2
107.08663	33.9
107.09385	1.6
108.09009	1.3
109.02927	3.0
109.06527	1.2
113.02413	1.6
117.01944	2.5
135.05591	1.6
151.07639	100.0
152.07971	2.2
156.71051	1.3
161.04556	9.2
178.94868	2.1
179.05598	46.7
179.07178	3.0
192.26846	1.6
195.06583	14.0
195.13892	1.7
223.02823	10.4
239.05486	6.5
239.10323	3.5
250.46147	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	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
59.01574	0.6
59.96629	0.6
59.96873	0.3
61.98728	0.5
67.45052	0.3
69.62861	0.7
74.98939	8.9
74.99415	1.8
76.31571	0.3
83.04906	0.3
87.00749	0.4
91.02071	9.3
91.02676	1.0
92.99995	3.9
95.01237	1.0
96.03677	0.3
96.92110	0.4
96.95866	1.3
98.21951	0.3
99.92472	0.6
101.05970	0.4
103.01353	0.3
116.92742	0.6
123.00726	0.9
127.86897	0.3
136.89070	0.3
145.00165	0.3
146.54813	0.3
149.00952	4.5
151.00276	0.4
151.07504	0.3
154.06262	1.1
160.84116	0.3
162.92619	0.3
167.14317	0.8
177.04170	0.3
179.05562	1.0
179.06978	0.3
181.01122	0.8
182.05812	0.3
193.56027	0.3
194.90527	0.6
195.13908	2.7
206.99748	2.4
207.04115	2.4
223.02827	100.0
224.02846	4.0
239.06740	12.1
239.12595	0.9
239.20143	0.4
241.03928	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	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48071	1.3
59.01378	100.0
69.03452	1.3
70.50856	1.5
70.51179	1.4
71.01389	8.9
73.02928	1.9
75.00867	9.6
85.02957	8.4
87.00879	20.1
89.02444	4.4
94.36929	1.2
97.02942	1.6
99.00909	4.8
101.02441	6.1
104.03553	4.6
117.01895	3.2
125.02448	3.0
129.01912	2.5
131.03468	2.3
141.01915	1.6
161.04530	18.5
165.04030	19.1
179.05608	85.8
195.87563	1.3
198.93486	1.4
221.06636	6.1
239.07825	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	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.40556	0.4
57.53646	0.3
59.01371	1.7
59.68255	0.3
69.68304	0.9
86.42063	0.3
95.05035	1.3
98.21893	0.4
99.08162	0.4
101.06083	9.4
108.33982	0.4
109.06602	6.5
111.08158	5.8
122.03812	0.7
125.09692	1.3
134.81787	0.4
135.11797	0.7
138.06851	3.2
139.04015	14.0
140.74782	0.3
151.11296	0.6
154.06361	35.5
155.06691	0.8
167.14421	10.2
168.14714	0.6
179.05626	0.9
179.10789	4.6
180.11415	0.6
182.05869	3.5
185.15530	0.5
193.06548	0.7
195.13907	100.0
196.14255	3.7
211.07710	0.7
223.02884	0.7
237.05391	0.4
239.07104	4.7
239.12889	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	240.0791
Annotation	Benquinox
Peak:m/z	Relative Intensity
58.82081	0.1
59.01360	0.2
70.90197	0.2
123.09044	0.1
148.89690	0.1
169.06631	0.1
180.05867	0.4
183.08131	0.6
195.08139	1.2
196.05275	0.3
196.08942	8.8
197.06075	4.8
197.09012	0.3
198.06851	1.4
210.06537	0.2
211.07643	3.6
212.08160	2.9
225.05569	3.2
226.06273	0.2
227.05774	0.1
239.07127	2.3
240.07909	100.0
241.08264	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27703	0.8
57.03431	2.5
58.89262	0.9
59.01371	9.9
60.33598	0.7
63.82790	0.8
65.67300	0.8
66.16247	0.8
69.03442	1.3
70.60820	1.5
71.01378	7.8
72.99313	1.2
73.02942	1.4
78.33243	0.9
78.37865	0.9
82.99895	1.0
83.01380	1.5
85.02945	25.5
89.02454	2.0
99.00881	17.1
111.00900	4.9
112.98805	22.5
112.99584	1.3
115.00383	1.9
117.00444	4.9
117.01923	1.2
124.98770	1.1
125.00891	1.2
129.01956	2.6
141.04059	3.1
142.99861	17.4
143.00896	1.7
143.01968	2.1
145.01398	2.3
153.04034	4.4
155.02002	4.6
159.01483	4.8
167.01964	4.9
169.03558	20.3
170.00772	1.0
171.05186	1.2
173.00897	23.8
185.03044	35.4
186.03285	2.6
187.04614	100.0
188.04755	4.8
197.03026	7.6
205.03490	9.6
208.98596	6.2
223.00981	12.3
241.02023	57.4
242.02208	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	241.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22234	0.5
55.93218	0.6
57.95464	0.5
59.01373	7.9
65.16341	0.5
69.03436	1.8
69.42416	1.2
69.42789	1.1
71.01367	4.0
85.02947	21.7
87.04565	0.5
97.02946	1.0
103.40051	0.5
112.98774	0.6
117.00431	4.2
118.52303	0.5
125.00949	1.4
125.04556	0.9
129.01967	0.6
141.04082	2.4
142.99823	0.7
143.02005	2.3
143.05620	1.2
145.03563	0.8
153.04086	4.2
155.01994	5.5
159.01524	4.9
167.01984	3.8
169.03549	12.3
170.00734	0.7
170.03726	0.6
171.01421	0.8
171.05151	0.7
173.00974	0.8
185.03047	34.7
186.03239	1.7
187.04614	100.0
188.04726	3.1
197.03056	8.2
202.87178	0.6
203.75410	0.6
205.03548	0.7
213.02672	0.7
223.00964	9.4
224.01195	0.9
241.02034	55.8
241.21790	1.0
242.02258	2.7
264.12363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0718
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
54.75415	1.1
55.01877	1.5
57.03454	1.2
59.01370	9.9
67.01867	1.2
69.82976	2.3
69.83296	1.2
75.00875	2.0
83.05022	1.7
97.02911	1.4
99.81245	1.1
111.04520	1.7
119.05010	1.6
121.02911	1.3
121.06523	1.1
122.03735	2.5
123.00880	9.2
123.04481	1.4
125.02472	2.3
127.04040	1.0
133.05217	1.0
135.00864	4.4
135.08116	1.3
137.06123	1.4
138.03242	3.3
139.00372	2.1
139.03993	5.3
150.03227	5.3
153.01947	18.8
153.05579	5.9
153.09209	20.4
162.89795	1.0
163.00372	64.5
178.02708	89.2
179.03293	3.2
179.07082	1.5
181.01410	36.9
183.05051	2.0
183.06604	26.8
193.05058	50.6
194.05414	1.4
195.03012	1.2
196.03761	13.9
197.08157	8.5
198.07713	1.3
211.02577	3.5
211.06107	100.0
212.06503	3.3
217.68222	1.1
226.04788	15.4
241.07170	66.2
241.10753	8.2
241.21738	4.8
242.06931	2.5
242.10353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0871
Annotation	Tupichinol C
Peak:m/z	Relative Intensity
59.01368	1.7
65.03964	1.4
67.01886	0.8
68.99822	1.4
69.03910	6.3
71.35501	0.9
75.05585	0.8
79.01888	1.4
81.03465	1.2
84.32895	0.8
88.67865	1.0
91.05524	2.0
93.03480	1.6
95.05034	11.8
95.34538	0.8
99.51691	1.0
107.05007	1.2
115.05517	4.7
117.03487	1.1
119.05023	12.4
121.02952	11.4
122.03750	4.8
125.06041	1.1
129.07118	3.8
133.06599	1.4
135.04532	6.4
136.05296	2.7
137.02412	1.3
143.05048	4.7
145.02979	2.1
145.10272	1.5
150.03252	2.7
151.04012	2.6
155.08739	5.0
157.06587	4.0
163.03937	5.3
167.08696	1.0
169.06641	1.0
169.10254	4.5
171.08122	9.3
173.08240	1.8
173.09720	27.2
174.10071	1.1
179.08653	3.7
181.06519	1.9
182.07434	1.5
195.08185	3.7
197.06097	2.0
197.09691	10.4
197.15451	2.6
198.06793	1.2
199.07646	6.4
211.07625	2.9
213.09219	47.5
214.09627	2.2
222.06853	1.0
223.05565	1.4
223.07652	21.3
225.05606	2.3
226.06392	3.6
239.07172	2.0
241.08713	100.0
241.21886	1.1
242.09134	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	241.087
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
52.62561	0.3
63.02386	0.9
65.40263	0.4
69.07712	0.4
78.38048	0.3
91.01897	7.7
93.03466	0.8
95.05025	0.4
95.07286	0.4
108.02150	0.4
118.87070	0.4
121.02950	4.8
122.03742	24.0
122.98537	0.3
123.04037	0.5
134.89445	0.4
137.02452	1.3
138.03246	0.4
148.01628	0.7
150.03230	10.3
150.49522	0.4
165.01910	2.0
165.12807	0.5
169.06625	3.0
171.08156	1.4
180.11221	0.4
195.08192	1.1
196.27956	0.3
197.15446	0.5
212.58990	0.3
213.09198	10.2
214.09677	0.3
225.02621	0.4
226.06268	0.6
239.07150	10.2
241.08699	100.0
241.18132	1.0
242.09047	4.0
257.08282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0871
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
51.14666	0.4
59.01369	0.6
65.03989	0.5
68.99809	1.7
69.05247	1.3
69.05663	2.0
73.93034	0.5
81.03455	2.2
81.85283	0.5
85.05031	0.5
91.01911	4.0
95.01398	0.5
98.22598	1.3
108.02172	1.4
122.03741	29.5
123.00877	0.8
125.02435	1.8
137.02455	1.4
150.03244	9.1
153.01929	0.6
166.28134	0.6
169.06613	1.9
169.10216	2.0
171.08153	8.4
182.02222	0.9
195.08144	1.1
213.09216	48.7
214.09602	1.5
239.07133	6.6
241.08707	100.0
241.18008	5.1
241.21764	0.7
241.79251	0.5
242.09032	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	241.0868
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
58.13526	0.4
70.97896	0.5
72.33609	0.4
78.95891	2.4
91.05524	0.5
91.10023	0.4
96.96947	0.6
121.02947	0.5
122.03734	60.0
123.04027	0.7
127.91031	0.4
127.98106	0.4
150.03218	32.1
151.03552	0.4
154.02701	1.1
169.10045	0.5
181.42206	0.5
213.09193	41.6
214.09528	1.0
241.01534	2.1
241.08688	100.0
241.18143	1.0
241.21651	1.4
242.08984	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	241.0871
Annotation	Dunnione
Peak:m/z	Relative Intensity
70.14140	0.6
136.05374	0.3
144.48213	0.3
181.06693	0.3
182.07347	4.0
195.50703	0.2
197.06036	1.2
197.09908	0.3
198.06845	8.4
209.95706	0.2
214.29318	0.2
225.05588	0.9
226.06345	100.0
227.06718	3.9
241.08691	84.0
242.09015	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03434	2.3
57.44991	1.4
58.70450	1.2
59.01380	2.8
59.99613	1.2
69.03452	3.6
70.00407	3.7
71.05038	4.5
76.26795	1.6
81.03450	15.0
83.05025	96.7
98.22604	2.0
101.21918	1.2
125.09715	2.7
153.12828	3.7
179.10785	7.5
195.15016	12.4
196.13383	3.4
197.11824	100.0
198.12138	2.4
213.16124	22.5
223.09741	4.1
226.06337	19.3
241.05479	8.4
241.08633	18.2
241.10808	90.5
241.15604	4.4
241.21582	2.3
242.11162	2.4
250.18726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03439	1.8
59.01377	33.1
67.01891	1.6
69.03442	2.7
70.77670	1.7
71.01392	2.0
71.05006	1.8
72.99287	1.4
81.03464	6.2
81.75882	0.8
83.05024	30.3
84.02169	0.8
85.02921	1.1
85.06564	1.3
87.62584	0.7
88.78313	0.8
95.05029	9.5
97.02939	1.6
97.06588	11.0
99.04520	26.6
99.08145	4.6
101.02448	2.9
105.82202	0.9
107.08665	7.4
109.25543	0.8
111.04533	4.2
113.06084	28.4
113.06887	1.4
125.06076	3.8
125.09708	0.9
127.04037	1.0
129.05579	11.0
135.11800	3.3
137.09758	2.0
139.04050	0.9
141.05531	2.1
143.07164	4.3
153.09215	1.2
153.12863	1.8
161.09700	3.0
169.08710	4.4
179.07385	1.0
179.10754	31.0
180.11121	1.2
181.08678	8.1
195.10262	2.2
197.11813	56.0
198.12169	2.7
199.07903	1.8
199.09746	32.3
223.09795	8.3
241.10800	100.0
241.21681	1.6
242.11201	2.4
242.15610	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	241.1233
Annotation	Bisphenol B
Peak:m/z	Relative Intensity
69.24508	0.6
69.69391	1.1
69.69772	1.4
88.58199	0.6
99.07925	0.6
122.03706	2.2
134.89500	1.3
135.04514	2.4
136.05273	0.7
137.06068	1.0
149.06094	0.7
150.03354	0.9
150.06865	23.3
151.04019	0.9
151.07141	0.7
152.47514	0.6
164.04869	0.8
213.09064	0.6
223.09561	0.7
226.06311	1.1
226.09795	0.8
239.10732	1.2
241.08904	4.3
241.12332	100.0
241.17804	1.9
242.12648	4.1
244.94191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
59.91601	0.8
60.66699	0.8
61.98823	2.0
66.03482	0.8
69.03439	2.6
71.01395	1.9
71.05015	1.4
71.40514	0.8
78.95903	1.0
82.02978	1.8
85.02953	7.2
87.00874	0.9
95.03820	0.9
96.04559	5.1
97.02946	3.1
99.04522	3.0
99.08160	7.9
99.92581	0.9
108.04555	0.8
109.04067	1.8
110.02484	3.6
110.06098	4.1
112.04031	2.8
115.03995	2.9
118.00507	1.0
124.07667	8.6
125.41375	1.0
126.09245	18.9
128.03523	1.7
136.07663	5.1
143.03485	9.5
152.07167	2.7
154.08740	48.7
156.02176	1.2
160.01666	1.4
170.03671	2.0
182.03065	1.0
186.03191	7.3
186.99245	1.1
187.02834	1.7
187.04549	1.9
188.04788	23.5
189.04269	4.3
197.03107	1.2
198.03395	1.4
198.07707	50.0
199.08110	1.1
224.01160	2.8
224.04074	2.6
225.02551	1.7
242.02563	16.3
242.06702	100.0
243.01440	1.6
243.02046	1.1
243.03751	7.0
243.06863	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58148	0.6
59.01368	1.4
69.57559	2.2
79.71246	0.7
83.50298	0.6
84.93858	4.3
85.00427	11.4
99.91895	0.9
99.92580	30.3
100.93359	6.6
115.92072	12.6
116.92858	100.0
117.92868	1.5
143.10823	1.3
160.95557	0.7
161.08191	2.6
162.83887	0.9
165.66998	0.6
181.92981	1.0
184.88681	0.7
199.04243	3.4
243.03276	41.4
243.12386	0.8
243.15926	0.9
244.03331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50114	0.7
57.07003	0.5
59.01373	1.8
69.79988	1.1
69.80317	0.9
71.05013	3.4
89.20333	0.5
97.02957	0.9
98.22610	0.8
99.04518	33.8
99.92592	1.1
110.02464	0.8
110.06145	1.0
115.03191	0.9
115.04010	19.0
122.06108	1.4
128.01802	3.0
130.91820	0.6
137.02287	0.8
137.04614	0.6
139.02539	1.4
143.03499	100.0
144.03859	1.8
155.02017	3.1
155.07117	1.1
156.04900	4.0
157.03551	0.7
161.04575	4.3
169.03615	0.8
171.05133	7.4
181.03554	3.3
183.02769	4.4
186.99287	3.5
189.00830	1.1
189.04443	1.6
197.03072	11.3
199.04604	1.8
200.03871	1.5
201.02547	2.0
225.00484	0.9
225.02563	13.4
226.02670	0.7
230.11086	0.5
242.98309	2.5
243.03598	83.8
244.03040	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	243.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
61.98809	0.5
69.03448	1.5
70.41692	0.9
71.01378	1.0
71.05015	2.5
79.77486	0.4
82.02994	0.9
83.01378	0.5
85.02959	1.9
87.00852	2.9
93.03468	0.6
95.05036	0.9
97.02965	1.1
99.00874	0.7
99.04519	34.3
100.04027	0.5
100.04852	0.5
101.02456	0.4
102.98631	0.7
109.06593	0.5
110.02469	2.6
110.06125	1.1
111.04472	0.4
111.08159	2.0
115.04008	20.3
117.00443	0.6
122.06115	2.8
127.07683	0.5
128.01758	10.0
137.02261	1.9
137.06004	0.6
139.02501	0.8
143.03500	100.0
144.03844	1.5
153.03023	0.6
153.04117	1.0
153.05612	0.6
154.08716	0.5
155.02008	2.8
155.07196	2.7
155.75140	0.5
156.03639	0.4
156.04881	7.2
157.03563	0.9
161.04536	6.2
169.03555	0.8
169.05028	0.6
171.05109	7.2
181.03601	3.3
181.08733	0.7
183.01405	0.3
183.02765	4.9
186.99268	1.1
187.02837	2.0
189.04341	4.7
197.03050	9.9
198.03229	0.6
199.04605	1.6
199.06158	1.0
200.03860	4.5
200.05525	0.7
201.02551	1.3
212.76277	0.5
225.00471	1.0
225.02530	11.5
243.03589	72.5
244.02771	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	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
52.01914	0.7
52.91056	0.5
57.90368	0.5
58.06876	0.6
59.01362	0.7
66.03487	13.4
68.01421	3.0
69.56096	1.0
69.56441	1.3
71.01392	1.6
72.00555	0.6
75.83909	0.6
82.02979	30.3
83.01384	1.3
84.04556	1.0
94.03005	3.0
96.04561	1.8
108.04568	2.1
110.02476	100.0
111.02020	5.9
111.02750	1.0
117.01945	0.8
120.04560	0.8
122.02491	8.5
124.04064	3.8
125.80586	0.5
132.02997	0.9
140.03531	9.7
140.06944	0.6
152.03528	16.9
153.03044	9.4
153.04172	0.9
164.03517	0.9
182.04597	1.2
200.05641	42.7
201.06001	1.2
243.06203	33.5
244.06367	0.7
254.43193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1024
Annotation	1,2-Bis(4-hydroxyphenyl)-2-propanol
Peak:m/z	Relative Intensity
50.34080	0.7
59.01369	0.7
61.98803	1.2
63.33303	0.7
67.45105	0.7
68.90658	0.8
71.43507	0.8
85.00424	2.9
93.03447	3.0
106.04243	13.2
108.02157	3.2
109.02940	1.1
116.92834	1.0
121.02969	1.0
121.52527	0.7
122.03735	67.3
123.04121	1.2
126.03159	0.9
134.02368	0.7
137.02452	2.5
137.06078	83.9
138.03195	1.8
138.06410	1.5
155.13937	0.8
161.08173	1.7
163.37643	0.7
164.83629	0.8
170.36798	0.8
211.70824	0.7
229.75967	0.7
231.23691	0.8
237.54648	0.8
243.10239	100.0
244.10571	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	243.1025
Annotation	1,2-Bis(4-hydroxyphenyl)-2-propanol
Peak:m/z	Relative Intensity
59.01394	0.2
59.59539	0.1
59.77895	0.1
63.23219	0.1
64.69850	0.1
67.01891	0.3
67.38994	0.1
80.02680	0.4
81.03456	0.4
85.00393	0.2
93.03442	0.5
93.07104	0.5
95.05023	18.4
96.05382	0.3
106.04232	0.3
111.00853	0.2
122.03748	1.2
123.04577	0.1
132.06960	0.1
135.04465	0.2
136.05246	0.2
137.06081	100.0
138.06422	1.9
145.06474	0.2
149.06129	0.4
151.04034	0.2
187.30133	0.1
191.97165	0.1
243.10239	21.7
244.10634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1025
Annotation	1,2-Bis(4-hydroxyphenyl)-2-propanol
Peak:m/z	Relative Intensity
54.04946	0.2
69.08842	0.3
69.09254	0.8
73.89824	0.2
81.03457	34.8
82.03767	0.4
93.03461	1.6
93.07095	0.3
95.05036	1.4
98.21934	0.3
106.04246	0.8
122.03743	0.6
136.05389	0.3
137.06085	100.0
138.05591	0.2
138.06435	2.0
149.06075	0.7
183.08070	0.2
197.09752	0.2
199.11229	0.2
201.09387	0.1
213.09088	0.2
243.10255	34.8
244.10580	1.3
246.08339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1026
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
56.00500	0.6
57.03403	0.6
59.01339	1.6
62.37870	0.5
69.03444	3.2
69.74638	2.2
74.32096	0.7
81.03412	1.7
83.04998	0.8
84.80528	0.6
85.00403	2.9
85.00863	0.7
85.02896	1.6
91.05524	6.1
93.03415	0.7
95.01337	1.9
95.04993	1.9
96.54545	0.6
97.02955	6.0
108.02143	0.9
109.02947	36.2
111.04471	1.1
121.02941	1.1
122.03706	2.6
134.03773	4.6
137.02446	75.7
137.06050	6.7
138.03236	33.8
139.04019	10.9
151.04021	1.2
157.06555	1.0
157.10223	0.7
158.93857	0.6
173.09682	1.7
181.09833	0.7
183.08139	1.8
188.95682	0.6
190.35181	0.6
197.09666	1.9
199.07581	3.5
199.11255	6.7
201.09175	12.2
201.60825	0.8
210.06862	7.3
215.10722	0.6
224.08366	1.2
225.09212	23.4
226.09695	0.6
228.07910	100.0
229.08209	3.5
243.10249	99.9
244.10594	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	243.1027
Annotation	1,2-Bis(4-hydroxyphenyl)-2-propanol
Peak:m/z	Relative Intensity
50.55532	0.5
55.01856	0.6
56.67310	0.7
58.71033	0.7
59.01385	1.0
69.37683	2.3
72.93439	0.6
81.03458	20.6
85.00444	2.7
90.83706	0.6
91.05528	1.8
93.03472	1.5
95.05006	1.4
106.04245	8.7
107.05046	1.7
108.02177	1.5
109.02961	2.1
114.87504	0.7
120.31250	0.6
121.02935	4.0
122.03724	1.8
123.04520	1.4
135.04553	2.1
136.05344	1.4
137.02434	1.8
137.06088	100.0
138.03275	1.2
138.06416	2.1
139.03870	0.7
151.03951	0.8
151.83044	0.6
152.04822	0.8
153.05632	0.7
161.08234	0.6
169.06647	0.7
185.64470	0.6
187.11342	0.9
197.06071	6.3
199.07625	1.9
225.05606	2.5
228.07877	1.6
243.06691	6.0
243.10254	97.5
244.07388	1.7
244.10573	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03427	1.9
59.01377	31.2
68.19105	0.5
70.69705	0.6
71.01377	1.0
71.05025	1.1
71.43249	0.6
72.73083	0.7
73.02944	1.7
73.87003	0.6
83.33585	0.6
83.45822	0.6
87.49378	0.6
94.14346	0.6
95.05038	0.8
97.02940	2.3
97.06611	0.9
99.00875	5.6
110.03757	0.9
120.30164	0.7
122.03770	0.7
125.09710	3.2
127.11290	2.2
128.76741	0.6
130.08571	0.5
137.02425	1.1
137.06111	1.8
137.09686	0.8
139.11282	16.8
140.11729	0.7
153.12834	1.3
155.14442	1.0
163.11292	4.1
165.09251	0.7
171.10301	0.8
181.12325	20.3
183.10255	23.2
184.10442	0.6
197.11771	2.0
199.13385	25.8
200.13771	1.0
201.11270	4.9
207.10258	18.2
225.11308	47.3
226.11659	1.2
243.12349	100.0
244.02809	0.7
244.12741	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61015	0.7
57.03434	1.0
59.01376	57.7
62.51445	0.6
69.03436	1.6
69.23087	2.8
72.99310	9.5
74.29398	0.6
83.05026	1.0
85.06580	1.4
90.74427	0.5
98.74729	0.7
107.08662	3.2
109.06545	0.6
109.10207	3.1
121.10191	1.8
125.09740	1.6
130.08713	1.9
137.09717	1.1
139.11264	4.2
154.40404	0.7
155.10773	4.5
161.06036	0.6
181.12303	1.7
183.10254	63.6
184.10585	1.4
201.11317	100.0
202.11636	2.7
225.11324	1.7
243.02913	1.0
243.06700	0.6
243.10023	0.8
243.12349	10.1
243.16087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
56.63696	0.8
59.01374	3.2
66.46811	0.8
69.07046	5.1
71.05019	3.7
81.03453	2.1
93.03436	1.7
95.05007	0.9
95.16899	0.7
97.02948	6.1
97.06595	1.6
98.22805	1.7
99.00877	18.6
104.42825	0.8
109.06616	1.3
110.03730	1.9
112.56340	1.1
122.03742	0.9
123.08135	1.0
125.02447	1.9
125.09732	6.1
127.11175	1.0
137.06087	12.0
145.63751	0.9
155.14418	2.3
155.47307	0.7
163.11270	7.4
179.10744	0.9
181.12350	22.1
192.42123	0.9
197.11678	1.4
198.21379	0.9
199.13390	18.7
204.34033	0.9
207.10252	41.9
225.11314	79.0
226.11685	2.5
228.07910	0.8
243.06895	4.3
243.10402	4.1
243.12350	100.0
244.12747	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03974	0.7
57.03430	1.4
59.01377	56.9
69.01521	0.8
69.03469	1.2
69.11608	3.8
72.99301	10.0
85.06625	0.7
86.73745	0.7
95.62334	0.7
97.06590	0.7
98.22710	1.3
101.53099	0.6
106.55827	0.7
107.08686	3.4
109.06599	1.3
109.10232	4.4
121.10246	2.5
125.09762	1.1
127.11247	0.8
137.02487	1.7
137.09712	1.0
139.11255	3.6
155.10785	4.3
165.09267	0.7
174.46310	0.8
183.10260	68.3
184.10545	1.6
199.09798	2.3
201.11322	100.0
202.11644	3.6
207.10281	1.7
225.11391	2.3
243.02953	2.7
243.12369	7.8
244.03070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.27120	0.9
55.01876	4.0
55.46082	0.9
57.75112	0.9
59.01369	3.1
67.01895	1.6
68.99825	2.6
69.35723	4.5
69.36108	1.6
71.05023	2.6
81.03458	34.6
85.00423	1.3
93.03445	2.3
97.02955	2.1
97.06604	1.3
99.00878	14.8
100.73050	0.9
106.04236	1.7
109.02972	9.0
110.03756	1.8
121.02957	5.4
122.03741	98.0
123.04065	1.4
125.09705	5.2
135.04568	5.1
137.02374	1.0
137.06090	20.4
142.74373	1.0
149.06026	0.9
155.14423	1.7
163.11320	5.7
181.12350	15.7
183.08136	1.8
193.06468	1.1
196.36018	1.0
197.11780	1.4
199.07661	1.6
199.13393	17.5
207.10263	30.0
211.07693	5.2
215.10863	1.3
215.12798	1.0
217.08659	10.6
225.11330	58.9
226.11690	2.1
227.07184	2.2
228.07887	2.8
234.19275	1.0
243.10225	88.8
243.12415	100.0
244.10553	3.6
244.12758	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
69.31239	1.9
70.49113	0.5
80.05055	1.0
82.06610	0.8
84.08186	0.5
84.53238	0.4
86.42570	0.4
108.28027	0.4
112.07683	0.4
114.09246	0.9
114.60534	0.4
121.67438	0.5
129.10347	3.6
130.08737	39.8
131.09052	0.4
141.10358	0.7
156.04893	0.9
182.15527	0.6
197.16510	0.7
199.18149	23.8
200.18484	0.6
225.16014	0.5
243.17122	100.0
244.02776	0.9
244.17337	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	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.2
61.06718	0.3
67.53329	0.3
69.11203	2.0
80.05060	0.4
82.06609	0.9
84.08212	0.3
86.70439	0.3
87.00885	0.4
88.34395	0.3
112.07675	0.6
113.02467	0.6
113.06104	0.4
114.09219	1.0
129.05502	0.3
129.10333	3.9
130.08733	40.5
131.09076	0.5
135.04482	0.4
157.06551	0.5
158.03683	0.6
159.04477	1.8
172.05286	1.0
173.06041	1.3
175.03941	0.3
181.06726	0.4
182.03667	0.7
182.15514	0.6
183.04451	0.7
184.05229	0.3
186.03090	0.4
197.06093	0.4
199.03914	1.7
199.07574	0.5
199.18147	22.3
200.04721	1.5
200.18471	0.7
201.05574	5.0
215.07080	1.2
225.05595	1.5
225.16081	0.4
243.03094	2.1
243.06599	11.4
243.17117	100.0
244.06924	0.7
244.17438	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	243.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.1
59.01376	0.6
60.01971	0.1
66.03481	0.9
66.99168	0.1
71.01407	0.1
71.42828	0.2
72.22337	0.2
79.54194	0.1
82.06619	5.7
83.05035	0.1
84.08186	1.2
88.04025	0.2
90.25025	0.1
95.05015	0.1
97.06603	0.3
99.05461	0.1
100.25745	0.1
111.00897	0.1
112.07685	1.5
114.09226	1.0
129.10336	5.2
130.08736	44.6
131.09087	0.5
141.10326	0.8
145.02995	0.2
157.13469	0.4
159.04501	0.2
182.15491	4.0
193.66745	0.1
195.15027	0.2
197.16602	0.6
199.03938	0.2
199.18146	24.9
200.18456	0.5
201.05579	0.2
225.16069	0.2
243.02884	0.5
243.17117	100.0
244.17459	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	243.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
66.03480	0.5
68.53614	0.3
69.31527	0.4
69.31927	1.1
82.06622	6.4
84.08174	0.9
100.65359	0.3
112.07678	1.3
114.09235	1.0
129.10338	4.9
130.08734	43.1
131.09064	0.5
137.64409	0.3
141.10329	0.7
155.84341	0.3
157.13478	0.5
182.15501	3.8
197.16582	0.4
199.03825	0.3
199.18147	24.6
225.16130	0.4
239.50967	0.3
243.17125	100.0
243.72916	0.3
243.83502	0.3
244.17467	3.2
252.70824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1962
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
50.66698	0.3
53.21099	0.4
59.33527	0.3
65.54861	0.3
67.01890	1.2
69.55361	1.4
71.91058	0.3
81.78542	0.4
83.05034	0.8
85.00435	0.7
94.51809	0.3
98.22642	0.7
99.92603	0.7
111.00861	1.1
112.98812	0.3
154.99869	0.4
161.08173	0.7
169.16019	1.0
193.16028	0.6
195.17548	4.3
196.17953	0.5
197.19102	68.9
198.19417	1.8
218.74905	0.3
225.18524	1.6
241.18120	0.5
243.19635	100.0
244.19952	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	244.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69417	0.7
57.97539	0.9
58.75776	0.8
80.05044	4.3
87.02785	1.1
96.04545	9.0
110.05396	1.3
110.06118	17.5
112.99401	3.1
113.00667	2.2
120.53169	0.7
122.06118	31.2
122.73082	0.7
128.01758	77.6
129.02066	1.2
156.04886	86.4
157.05188	1.7
169.79985	0.7
171.40741	0.8
195.60936	0.8
200.03853	30.8
208.52267	0.7
215.29301	0.7
225.53903	0.8
239.03766	0.8
244.02821	100.0
245.03113	3.0
246.48767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97550	0.7
66.03514	0.7
70.44886	1.4
80.05064	3.7
87.02720	1.5
90.87226	0.7
96.04566	10.6
96.63590	0.7
110.06120	19.9
111.48551	0.7
112.99390	2.5
113.00661	3.2
113.04292	1.3
122.06119	33.7
128.01767	84.1
129.02110	1.1
156.04895	86.7
157.05199	1.9
172.05029	0.8
200.03867	31.9
244.02835	100.0
245.03137	3.1
248.03719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68849	0.7
57.97563	1.3
66.03480	1.2
69.82042	2.1
80.05064	4.5
81.73787	0.8
82.16148	0.8
87.02733	1.5
96.04546	11.5
110.06123	21.7
112.99397	3.1
113.00652	4.2
113.04345	0.9
118.06309	0.7
122.06121	41.1
128.01764	100.0
129.02116	1.3
130.08708	3.3
156.04892	93.0
157.05235	1.4
199.18185	1.5
200.03873	30.8
243.17168	4.6
244.02840	92.6
244.17416	1.6
245.03131	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	244.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52889	0.7
70.68518	1.0
80.05062	4.7
87.02740	1.8
95.86733	0.8
96.04548	11.3
110.06108	20.4
112.27593	1.0
112.99400	4.1
113.00653	3.1
117.03225	0.9
122.06121	40.7
128.01762	100.0
153.20439	1.0
156.04884	88.3
156.84389	0.9
157.05203	1.6
200.03853	27.1
209.53560	1.1
215.30782	0.8
244.02817	88.1
245.03015	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	245.0815
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.18339	0.1
55.96765	0.1
57.03197	0.1
57.03443	1.6
58.02970	0.1
59.01359	0.3
59.24480	0.1
65.00295	0.1
67.01888	0.2
67.85795	0.1
68.99789	0.1
69.12961	0.1
74.02472	0.7
80.02652	0.6
81.03453	5.3
83.01355	0.2
83.05010	0.3
85.02930	0.2
91.05554	0.2
93.03461	1.0
95.01376	0.2
95.05029	3.9
97.02943	2.1
98.83898	0.1
99.04523	0.2
108.02146	0.5
109.02952	7.1
115.05460	0.3
116.03505	0.3
116.05022	0.3
117.03461	0.2
119.04987	0.2
121.02125	0.2
121.02950	2.9
122.03742	1.3
123.04525	5.5
129.07109	0.2
130.08711	0.5
131.04984	0.6
133.02914	0.4
133.06541	0.4
135.04530	1.0
139.04004	1.5
143.05034	0.8
144.05815	0.2
145.02943	0.9
146.03737	2.9
147.04521	2.1
147.08170	0.3
149.02431	1.7
150.03238	0.6
151.04001	0.2
156.05777	0.1
157.06578	1.3
158.03732	1.0
159.04512	8.7
159.08142	0.3
160.05304	3.3
161.02455	0.9
161.06084	10.1
162.03233	2.4
162.06367	0.2
162.59280	0.1
163.03937	0.4
171.08171	0.2
172.05363	0.3
173.02525	0.8
173.06053	3.0
174.03223	2.5
174.06830	1.2
175.04007	6.7
175.07620	6.7
176.08017	0.2
181.06567	0.2
183.04478	0.5
183.08113	0.2
184.05350	0.8
185.06070	2.2
186.06927	0.3
187.04002	13.2
188.04778	11.5
188.06581	0.2
189.05341	0.5
199.07643	2.6
201.01955	1.0
201.05557	2.4
201.09242	0.3
201.11211	0.3
202.06348	4.8
203.03403	0.9
203.07117	29.9
204.07364	0.9
209.06160	0.3
211.03973	0.5
212.04790	2.4
215.07089	0.2
217.05139	1.0
217.08638	1.6
226.06325	0.2
227.03476	0.4
227.07133	6.5
229.05099	0.1
230.05836	1.9
245.08171	100.0
246.08485	3.3
246.10918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0814
Annotation	Torachrysone
Peak:m/z	Relative Intensity
54.59237	0.1
56.50338	0.1
57.03205	0.1
57.03442	1.8
59.01353	0.4
61.92112	0.1
67.01874	0.2
69.53092	0.4
69.53493	0.2
74.02445	0.5
75.35505	0.1
80.02663	0.7
81.03453	5.2
81.47421	0.1
83.05000	0.2
84.53369	0.1
85.02962	0.2
87.00859	0.1
91.05517	0.2
93.03455	1.1
95.05023	4.1
97.02944	2.0
108.02174	0.7
109.02941	7.7
111.32584	0.1
115.05537	0.2
116.03578	0.1
117.07065	0.2
119.04984	0.2
121.02145	0.2
121.02951	3.0
122.03746	1.0
123.04515	5.8
131.05006	0.6
133.02917	0.4
133.06578	0.7
135.04544	1.1
139.04012	1.6
143.04982	0.6
144.05847	0.2
145.02930	1.1
146.03726	2.8
147.04520	2.4
147.08159	0.2
149.02434	1.7
149.06067	0.2
150.03159	0.5
151.03973	0.2
156.05730	0.2
157.03014	0.2
157.06586	1.6
158.03693	1.0
159.04506	10.4
159.08083	0.4
160.05292	3.1
161.02438	1.3
161.06071	12.5
162.03210	2.8
162.06377	0.3
163.03911	0.2
171.04428	0.3
171.08115	0.2
172.05344	0.2
173.02458	0.8
173.06061	3.3
174.03215	2.2
174.06842	1.2
175.03998	6.9
175.07614	6.8
175.09190	0.2
176.04352	0.2
180.90135	0.1
181.06612	0.3
183.04500	0.5
183.08096	0.2
184.05292	0.9
185.06070	2.7
186.06815	0.6
187.03995	14.2
188.04774	12.7
188.06131	0.2
188.06569	0.3
189.05327	0.4
198.53587	0.1
199.07637	2.6
201.01929	0.4
201.05539	2.1
201.09271	0.3
202.04445	0.3
202.06343	5.6
202.67645	0.1
203.03371	0.7
203.07114	33.1
204.07430	1.2
209.06047	0.4
210.06622	0.1
211.04115	0.2
212.04788	3.0
213.05444	0.1
215.07152	0.2
217.05087	1.0
217.08641	1.7
217.79388	0.1
218.08859	0.1
225.05580	0.1
226.06354	0.3
227.07112	7.0
228.07278	0.1
230.05817	2.4
245.08159	100.0
246.08504	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	245.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	24.4
59.01361	1.1
69.16840	2.1
69.17229	2.1
70.02972	16.1
72.00909	3.4
72.04552	5.4
74.02473	100.0
76.97688	0.8
80.96524	2.3
87.00848	0.9
98.02475	24.9
102.18611	0.9
107.11756	0.9
116.03543	33.0
116.05058	32.7
129.05736	1.4
130.06638	3.3
130.81514	1.1
136.37857	1.0
142.06621	8.6
159.09256	7.7
171.62276	0.8
183.09303	1.2
186.05565	2.1
201.10152	7.7
203.08249	83.4
204.08589	2.0
209.11955	1.4
245.09297	99.6
246.09691	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
52.69118	0.6
56.40733	0.8
58.02973	27.1
58.24739	0.6
59.01376	2.0
69.41975	3.3
70.02974	15.8
72.00898	3.8
72.04545	6.4
74.02472	100.0
87.00878	0.8
94.06580	0.7
98.02473	23.9
116.03548	31.9
116.05054	32.0
117.05417	0.7
121.06586	0.8
130.06622	4.1
142.06624	7.1
152.88443	0.8
159.09290	4.9
159.78148	0.7
165.05603	1.3
166.28615	0.7
183.09258	2.5
186.05592	2.4
201.10104	7.9
203.08246	90.4
204.08511	3.0
209.11803	2.5
245.09300	96.7
246.09622	3.0
263.34656	0.6
266.86041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	25.6
69.36416	3.4
69.36757	0.6
70.02975	15.0
70.03336	1.1
72.00906	3.6
72.04556	6.1
74.02473	100.0
95.97665	0.8
98.02474	24.8
102.44717	0.6
116.03549	29.8
116.05059	32.0
127.11241	0.7
129.05847	1.0
130.06619	4.4
142.06622	8.3
151.56204	0.7
153.50485	0.6
157.07814	0.8
158.06082	0.7
159.09282	7.9
165.07545	0.9
183.09207	1.8
186.05586	2.0
201.10292	6.0
201.11540	2.9
203.08253	85.1
204.08597	1.8
209.11815	7.8
227.12866	1.3
245.09299	90.0
246.09572	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54810	0.3
56.38849	0.3
57.03445	0.4
59.01377	39.4
60.01726	0.4
71.05026	0.9
122.91281	0.3
127.11297	3.1
129.08006	0.3
139.11259	1.4
155.10789	2.2
155.80638	0.3
157.12335	16.2
158.12672	0.4
185.11821	15.4
186.12181	0.4
203.12866	100.0
204.13194	2.4
245.04564	0.5
245.13916	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66787	0.3
57.03428	0.3
57.73094	0.3
59.01379	42.1
69.81169	0.3
71.05038	0.3
75.93517	0.4
81.03432	0.5
92.83650	0.3
96.46561	0.3
96.95983	0.3
97.14556	0.3
115.92054	0.4
119.05037	0.6
121.02961	0.9
127.11295	4.3
139.11313	1.7
147.04535	0.9
155.10762	1.7
157.12331	18.3
158.12724	0.4
161.02449	0.6
171.10448	0.4
174.99217	0.6
180.59612	0.4
183.08183	0.7
185.11829	14.4
189.05525	0.9
190.06384	0.4
201.09195	1.1
201.11060	0.5
202.09970	1.3
203.12874	100.0
204.13240	2.5
209.06157	0.5
227.07185	1.7
230.09462	1.6
245.08197	2.8
245.11768	7.0
245.13972	6.0
246.02489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.49932	1.4
51.82315	1.2
56.48560	1.4
57.03439	2.3
59.01374	5.0
61.38131	1.4
69.48258	1.3
71.05005	2.1
72.34713	1.5
75.00861	1.7
81.02149	1.3
83.04970	2.1
87.00869	3.4
111.08128	2.3
123.00807	1.5
125.42287	1.2
155.14345	2.5
165.12836	17.8
171.10268	3.0
174.99240	4.0
183.13866	15.7
201.14966	9.6
203.12981	2.4
209.11790	11.7
225.11278	1.8
227.12891	40.0
228.90182	1.9
245.04488	3.4
245.13931	100.0
246.14305	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	246.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43813	16.4
69.10143	16.1
69.23425	100.0
84.00897	25.0
98.91073	18.7
145.53148	16.4
149.44617	16.6
153.16959	17.5
165.45284	25.0
188.19936	20.0
232.71063	21.3
235.06317	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	246.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02081	21.3
61.34710	21.1
65.03806	25.8
68.29422	26.0
69.08849	56.0
69.09267	98.7
72.27722	25.0
84.00920	37.9
98.21910	61.8
190.80124	22.7
201.26094	23.9
231.06140	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	246.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51787	0.3
59.01378	2.1
65.78271	0.2
69.24027	0.3
72.00906	12.4
78.95879	0.3
80.40945	0.3
88.04072	0.5
91.05550	1.3
91.19351	0.3
92.24545	0.3
96.14489	0.3
96.96925	0.4
99.92610	0.5
103.05544	1.2
116.07186	1.0
124.58229	0.3
129.01945	0.8
130.08795	0.3
131.09154	0.3
137.94606	0.3
147.04520	37.9
148.04776	0.7
164.07158	100.0
165.07564	2.2
246.07462	3.9
247.11205	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	247.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79629	0.5
57.03437	3.0
58.84194	0.5
59.01375	2.6
60.41872	0.5
69.48614	0.9
69.49012	1.7
71.05000	0.6
72.99313	1.4
75.00875	2.0
83.05010	0.8
85.02923	0.7
85.06574	1.0
87.00876	27.4
89.02431	0.8
89.17310	0.5
93.03461	1.4
97.04849	0.5
99.04520	0.7
99.08201	0.6
100.00414	0.6
105.01933	65.8
106.02264	0.5
113.09724	18.4
115.11304	0.7
121.06497	0.5
127.90186	0.7
129.09331	0.6
132.98268	0.9
141.09233	1.3
157.08691	1.8
159.10262	100.0
160.10622	2.4
174.99261	0.7
176.01749	1.7
176.87718	0.5
181.26811	0.5
186.95613	1.7
191.05602	1.6
196.52647	5.5
197.02823	1.3
215.07210	0.7
219.02844	0.7
247.02448	0.6
247.06203	0.8
247.11768	8.2
247.15422	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	247.1338
Annotation	Wutaipyranol
Peak:m/z	Relative Intensity
51.15567	0.5
56.54665	0.6
57.03437	0.7
59.01380	4.7
61.48921	0.6
69.23380	2.4
69.23785	0.9
71.01376	3.1
71.05013	1.0
72.02161	0.9
73.02950	8.5
83.05037	2.3
85.06590	95.8
86.06921	1.6
89.02448	0.9
93.03463	4.9
97.06572	1.4
98.21744	1.1
106.04250	16.8
107.05025	1.1
111.04476	0.6
113.02468	1.6
113.06091	11.0
121.02956	1.1
121.06616	1.5
125.06051	3.6
129.07108	1.2
130.04210	1.6
132.98192	0.6
133.06602	1.9
136.63762	0.6
138.03239	2.1
141.07085	1.4
141.09251	0.9
143.05009	2.7
146.03735	2.8
157.06584	29.4
159.08154	100.0
160.08434	2.9
161.06125	3.1
161.09709	1.1
165.01804	0.7
173.08330	0.9
173.09692	5.3
174.99214	0.7
185.09796	1.9
186.95653	1.5
187.04036	0.8
187.11212	2.9
191.10770	13.4
197.09758	3.0
197.11572	0.7
203.07188	1.5
203.10767	5.0
205.00302	0.9
215.07358	0.9
215.10770	13.5
238.49054	0.6
247.13370	23.6
248.13708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
63.15782	0.1
65.93745	0.1
69.15722	0.6
69.16129	0.3
76.46284	0.2
92.17097	0.2
98.21895	0.3
140.63876	0.1
157.09773	0.1
182.96339	0.1
204.15210	0.3
205.15994	0.3
220.17142	0.7
220.18889	0.1
231.13908	0.4
247.17006	100.0
248.17348	4.6
249.36349	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	249.0768
Annotation	Citrinin
Peak:m/z	Relative Intensity
58.72081	0.9
59.01381	2.8
67.01891	4.1
67.93749	0.7
72.38116	0.7
78.44979	0.8
84.02165	0.8
93.03445	4.0
99.04520	5.2
101.19229	0.8
106.04240	19.3
112.91426	0.8
120.01243	0.9
121.02949	1.1
121.06564	2.6
128.03528	1.9
129.07103	3.7
138.03215	1.6
145.06581	2.7
146.07362	3.2
161.09731	1.2
171.07722	1.3
173.06091	15.3
190.06378	1.3
205.08693	100.0
206.09010	3.7
249.07687	27.6
249.14911	1.8
250.14520	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	249.113
Annotation	delta-CEHC
Peak:m/z	Relative Intensity
51.45375	0.4
57.03432	0.8
59.01356	1.2
59.01633	0.4
62.48136	0.4
69.03508	0.4
71.41943	0.5
81.07092	1.3
81.30096	0.4
82.94453	0.4
83.05008	1.0
93.07079	0.5
93.52899	0.4
99.04511	1.6
100.03927	0.4
105.07094	1.0
135.11810	0.5
150.06860	5.6
161.09746	0.7
161.13359	24.9
162.13687	0.7
187.11246	1.7
205.12326	100.0
206.12703	3.5
207.10272	0.7
249.11301	13.9
250.11812	0.9
250.14560	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	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
53.45119	4.4
59.01372	18.8
61.98840	4.7
69.03456	25.3
70.84614	6.1
70.84988	4.3
82.03858	4.3
99.27676	5.9
111.08105	4.0
113.32999	4.2
157.85373	4.8
168.09229	3.7
175.83072	4.0
187.14746	5.5
193.12408	5.9
205.12250	11.2
205.15967	16.2
221.15474	16.6
231.13924	24.3
249.08977	6.6
249.11165	7.8
249.14948	100.0
249.17319	8.0
250.14487	68.9
258.83432	4.7
263.65530	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01373	3.7
61.98819	0.8
63.55402	0.5
69.22736	2.4
85.00426	0.5
98.21880	0.9
104.21313	0.5
121.02901	0.5
126.08120	0.5
136.07651	0.5
165.95700	0.6
175.08324	0.5
183.78433	0.5
205.12376	0.8
205.15994	8.7
205.19611	1.6
231.17607	1.5
247.17052	0.7
248.97449	0.7
249.00323	0.6
249.14954	13.4
249.18591	100.0
250.14485	25.0
250.18488	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	249.2223
Annotation	Civetone
Peak:m/z	Relative Intensity
55.01868	0.6
57.03456	0.8
59.01379	0.4
69.03465	2.1
69.60326	1.7
81.03447	0.7
83.05013	3.4
95.05017	1.9
97.06573	1.5
98.22559	0.9
109.06613	2.5
111.08165	0.6
113.09669	0.7
125.09731	0.5
127.11292	5.9
139.11276	1.3
141.12852	52.2
142.13148	1.3
153.12837	0.8
155.14413	21.7
156.14659	0.5
169.16028	2.0
181.16072	0.5
191.18042	1.0
195.17616	0.6
225.01079	0.5
231.21141	2.0
232.76106	0.5
247.20605	2.3
248.97202	1.2
249.00209	0.4
249.22220	100.0
250.14450	9.7
250.16817	0.8
250.22575	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	250.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66189	2.1
55.01842	3.5
58.02973	17.5
59.01380	27.3
66.03988	2.5
69.11852	2.3
69.22392	9.4
69.22800	4.7
70.02977	5.5
71.01376	24.2
72.00902	4.1
73.02950	8.6
74.13162	2.5
82.02979	6.8
85.02943	10.5
87.00876	8.8
88.04041	8.4
89.02431	5.2
91.05538	17.8
98.21875	5.3
99.00894	2.5
101.02459	13.5
113.02430	12.9
120.05714	2.4
130.94385	4.2
132.02998	11.7
147.04533	23.0
161.04553	12.6
162.04915	4.0
163.03941	6.3
163.07579	2.5
164.07167	58.7
165.95711	4.9
193.01692	2.4
205.04709	3.4
206.08211	55.1
207.96738	5.2
212.69545	2.6
250.07625	4.0
250.14461	100.0
250.18129	10.8
251.05482	3.4
251.11336	6.2
251.14886	3.5
259.24939	2.5
274.60559	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	251.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03425	1.1
59.01378	10.8
66.12265	1.0
68.26240	1.0
70.71590	1.3
71.01015	1.1
71.01380	13.3
72.99294	0.9
73.02931	4.1
75.00851	1.2
83.01363	1.9
85.02948	6.5
87.00874	77.7
88.01243	1.0
89.02425	1.3
91.05530	91.7
92.05875	1.5
93.03455	2.3
101.02444	8.9
113.02444	4.9
115.00356	1.6
117.07063	1.5
118.03011	1.2
133.52458	1.0
135.04489	3.7
136.04054	8.6
143.05060	1.9
145.06581	8.2
150.77853	1.0
161.04576	5.0
163.04005	100.0
164.04343	1.5
164.07193	1.3
189.05562	4.1
233.04514	1.6
251.06767	4.8
251.11301	3.8
251.14778	3.8
252.05048	3.5
266.81604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65245	0.4
59.01377	0.7
69.12064	0.9
69.12482	1.3
71.01380	22.7
80.35143	0.3
91.05531	14.1
96.96018	0.7
98.22808	0.3
99.07436	0.3
101.02440	0.3
104.65035	0.3
115.00374	10.8
135.04521	100.0
136.04836	1.8
173.99353	0.3
210.93510	0.3
233.08191	0.9
250.14494	1.0
251.05717	0.7
251.09312	1.0
251.14836	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
66.52666	0.8
69.12260	2.0
69.12672	3.4
71.01387	1.9
85.02954	0.8
87.00875	78.1
91.05533	89.1
92.05872	1.2
93.03455	1.3
93.73786	0.9
98.00095	1.2
101.02442	1.1
117.07114	2.2
134.03674	1.2
135.04565	4.8
136.31239	0.9
143.05011	1.8
145.06590	10.9
149.06142	1.4
157.58904	1.0
161.06029	1.0
163.04010	100.0
163.54239	1.3
164.04420	1.5
172.68964	0.9
186.99846	1.0
189.05556	5.2
233.04506	1.7
239.36491	1.0
250.14459	2.0
251.05522	3.1
251.09331	1.7
251.14851	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	251.0923
Annotation	3-O-Acetylniduloic acid
Peak:m/z	Relative Intensity
50.38122	0.2
59.01379	9.0
62.78438	0.3
62.84478	0.3
69.03464	2.4
69.35480	0.7
69.35864	0.7
70.46272	0.3
75.30443	0.3
78.97782	0.3
93.83138	0.3
98.22591	0.7
100.86948	0.3
103.05514	0.5
105.07104	0.4
105.33558	0.3
109.32525	0.3
129.07117	3.0
131.05028	21.8
132.05327	0.5
136.35641	0.3
145.06590	0.6
145.10201	0.4
147.08160	100.0
148.08508	2.8
157.27736	0.3
169.04578	0.3
176.44077	0.3
189.09209	29.8
190.09502	0.5
191.07137	14.7
192.07500	0.4
193.05154	0.4
195.46347	0.3
207.10307	0.5
251.09241	22.1
252.09589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1037
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.61312	0.9
56.05067	0.6
59.01373	5.0
69.11229	4.2
71.01379	0.9
71.02493	2.0
72.00901	2.3
73.04066	100.0
82.89589	0.7
87.00884	0.9
91.05521	3.9
96.96011	2.3
98.22725	1.6
101.02454	0.8
102.05779	0.7
103.05107	3.8
106.05277	0.7
127.87563	0.7
147.04510	15.6
164.07150	26.2
177.10388	1.0
184.87259	0.8
221.09302	54.6
222.09555	1.4
233.09265	1.4
250.98152	0.6
251.10368	62.3
251.14783	4.7
252.10658	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	251.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.3
55.66289	1.4
55.72360	1.4
56.39175	1.3
57.03440	5.4
59.01375	94.8
71.01376	100.0
71.22533	1.5
72.99297	2.1
73.02939	44.0
73.04074	4.2
74.02469	6.6
75.00884	1.6
78.95935	1.3
81.04573	3.1
83.01379	18.7
85.02943	49.4
85.04034	7.1
87.00870	6.3
87.04518	2.4
87.05621	1.8
89.02438	22.5
91.05533	3.9
93.04603	2.0
95.01387	8.0
95.55903	1.4
96.96001	2.4
97.02985	3.0
97.04077	3.1
99.00866	13.5
101.02436	94.7
111.01999	3.3
113.02440	43.4
114.05601	3.9
119.03526	7.7
119.63120	1.6
125.02433	2.6
127.19415	1.3
129.01917	2.6
141.46812	1.6
143.03510	4.7
147.04594	1.5
149.96242	2.6
154.06233	4.9
159.02995	11.0
161.04555	51.0
163.08800	2.0
164.07162	2.4
172.07687	2.0
178.93799	1.4
189.10318	2.1
203.08412	2.2
221.09294	19.4
232.79865	1.6
251.11162	34.2
251.14845	8.1
252.02988	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.4
57.03447	6.2
58.00589	1.5
58.86477	0.5
59.01377	87.0
60.01702	0.6
68.99809	0.6
69.03475	0.9
71.01379	100.0
72.01696	0.8
72.99311	2.6
73.02943	39.7
75.00874	3.6
76.41811	0.6
79.95698	0.6
83.01384	15.9
85.02949	45.1
87.00875	4.0
87.04535	2.2
89.02440	17.3
89.06088	2.0
93.03470	1.9
95.01376	7.6
97.02955	2.8
98.22626	1.7
99.00880	12.6
101.02440	84.2
102.02785	1.4
111.00884	1.4
113.02445	46.2
114.02788	0.9
115.00366	1.9
118.03008	2.2
119.03506	5.1
125.02435	1.8
129.01924	1.5
136.02980	0.7
136.04042	13.1
137.02480	1.1
143.03497	4.2
152.48196	0.4
156.90269	0.6
159.02985	10.0
161.04562	53.2
162.04865	1.2
163.05394	0.5
164.07202	1.3
166.98552	0.5
205.03587	0.7
208.06120	0.9
208.67914	0.5
251.06755	1.2
251.11356	35.7
252.05183	3.6
266.85358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.2
57.03440	7.4
58.00597	1.0
59.01374	100.0
66.50549	0.7
69.03436	1.0
69.93050	1.5
69.93401	1.4
71.01375	99.8
72.99301	1.5
73.02940	37.8
75.00862	3.8
78.95863	1.0
81.04581	0.8
83.01378	19.5
85.02945	47.2
87.00866	4.9
87.04507	2.4
87.05644	1.5
89.02438	24.4
89.03003	1.2
89.06084	0.8
91.37808	0.8
95.01376	7.9
96.96957	0.8
97.02953	2.4
98.22601	0.6
99.00879	11.8
101.02435	98.1
102.02805	1.5
111.00920	1.4
113.02443	42.3
114.05615	1.3
117.35800	0.8
119.03497	8.8
125.02451	2.3
129.01973	2.2
131.03485	1.4
143.03458	5.1
149.04552	1.0
154.06219	1.0
159.02980	10.6
161.04546	47.3
178.93752	1.1
179.05580	1.2
202.66898	0.7
244.74976	0.7
250.98026	0.9
251.11356	41.2
251.14386	1.5
252.03075	0.9
252.11749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22499	0.7
55.01875	9.2
57.03441	6.4
58.00584	0.6
59.01376	83.3
69.03460	1.1
71.01377	100.0
71.40823	0.6
72.01715	0.9
72.99313	2.2
73.02942	38.4
75.00867	3.6
83.01385	17.5
83.01891	0.7
84.02155	0.6
85.02946	49.4
85.65833	0.5
86.03265	0.7
87.00876	5.5
87.04501	2.7
89.02438	18.2
89.06084	1.9
91.05514	0.6
93.03461	0.7
95.01385	7.5
95.51731	0.6
97.02953	2.2
99.00872	12.5
101.02438	89.9
101.70678	0.5
102.02797	0.8
111.00878	1.5
111.11659	0.5
113.02444	42.5
115.00384	1.2
115.03980	0.5
118.02957	1.3
119.03522	3.8
125.02450	1.9
129.01950	1.7
131.03474	0.9
136.04042	7.0
143.03491	4.5
159.02986	10.2
161.04550	52.8
162.04886	1.5
163.00418	0.7
163.03981	1.2
164.07179	1.3
179.05582	0.9
207.06616	1.2
240.54311	0.6
251.11331	33.7
252.05083	2.2
252.11819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1466
Annotation	CI 4
Peak:m/z	Relative Intensity
58.04103	3.2
58.51941	0.3
59.01378	8.2
60.01731	0.4
67.01894	1.4
67.41743	0.3
71.01394	1.4
73.02934	0.5
78.95911	0.4
83.06163	1.7
84.04514	0.4
85.02982	0.7
86.03284	0.5
95.02515	0.6
95.06129	0.5
96.04581	0.5
96.96015	0.6
101.02445	1.0
102.02800	0.6
113.02451	0.6
113.07221	6.4
114.02786	0.4
123.05636	2.6
124.04080	0.9
125.03584	1.6
137.02435	0.9
141.06705	6.7
145.31635	0.4
152.05931	5.3
153.06725	4.0
154.06268	0.6
162.04929	0.7
164.01370	0.4
167.04599	5.1
167.11888	1.0
181.09782	0.8
182.09360	2.6
182.12889	0.4
192.11436	0.4
193.07224	0.4
193.09763	1.1
208.10944	2.4
210.12474	100.0
211.12849	2.7
216.89636	0.4
235.11987	7.7
252.02902	1.2
252.14642	45.2
253.14946	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	253.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
71.01012	0.4
71.01382	5.2
80.83314	0.3
85.19935	0.2
93.03457	38.8
94.03784	0.5
115.00381	1.9
119.23222	0.2
121.02970	0.6
133.01440	0.8
137.02444	100.0
138.02768	2.2
154.16350	0.3
200.34483	0.2
223.18933	0.3
253.03467	0.3
253.14439	0.3
274.35779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0503
Annotation	Nordalbergin
Peak:m/z	Relative Intensity
56.73702	0.5
59.01375	29.7
60.71043	0.5
65.00315	1.6
69.15660	3.1
70.41547	0.5
71.01349	0.6
90.99596	0.5
91.01869	0.9
93.03462	0.7
99.82875	0.6
116.05101	0.6
117.03445	1.2
121.02992	0.9
139.07658	0.5
143.05029	6.2
151.07544	0.6
157.06592	0.6
161.04507	1.0
165.03264	0.5
167.03568	0.9
167.05008	16.2
169.06593	3.5
169.79817	0.6
170.88312	0.8
171.10255	9.1
180.05797	8.9
181.06555	6.3
182.03751	0.8
183.04489	5.7
185.06096	1.5
193.07086	1.5
193.08478	1.8
196.05260	1.1
197.06067	5.7
208.05257	10.5
209.06055	25.5
210.03200	1.1
210.06459	0.7
211.03946	5.1
224.04828	1.8
225.05540	10.7
252.04185	1.9
253.05035	100.0
254.05331	3.0
271.06100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0869
Annotation	3,7-Dimethoxy-5-hydroxyphenanthrene
Peak:m/z	Relative Intensity
59.01383	15.4
61.06145	0.6
61.98839	0.8
68.99812	0.7
70.96233	1.1
82.00605	2.3
91.73274	0.6
92.02674	45.8
93.03467	0.8
93.59316	0.8
95.01388	22.0
101.02437	0.8
106.00625	1.3
108.02174	20.8
108.02903	1.1
121.02908	0.7
123.00883	3.1
136.01657	100.0
137.01968	1.4
152.04419	0.7
152.17317	0.7
152.91753	0.9
170.88376	3.2
170.91075	0.9
193.07198	0.9
194.92757	1.6
197.48299	0.7
209.09668	5.3
209.15428	0.9
217.84946	2.2
252.88736	1.0
253.08694	46.3
253.14389	2.5
253.17970	1.3
253.21736	0.8
254.09071	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	253.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	30.5
61.98814	0.7
66.57872	0.4
70.76976	0.6
89.02445	1.0
91.53956	0.4
94.92492	1.0
99.92586	2.2
101.02444	0.5
112.34334	0.6
115.92068	0.5
116.92830	0.6
118.15444	0.4
119.94685	0.5
137.06081	0.4
152.91763	1.1
161.04573	0.7
170.87070	0.5
170.88393	3.9
170.91122	1.2
170.97823	0.7
171.13899	100.0
172.14200	2.2
185.43073	0.4
193.07204	0.6
194.06206	0.4
194.92709	2.2
209.15427	0.7
217.85004	7.9
217.87056	0.7
229.08423	0.4
252.88641	1.3
253.09119	0.4
253.14220	13.1
253.18074	4.4
254.06404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01377	2.7
61.98816	0.6
63.53736	0.3
65.00302	0.3
71.41190	0.4
89.42585	0.3
116.92847	1.2
134.89491	0.6
136.98769	0.6
147.52249	0.3
217.85028	0.8
253.21718	100.0
254.22079	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	254.0946
Annotation	Dimethachlor
Peak:m/z	Relative Intensity
54.04454	0.1
59.01358	0.3
62.25357	0.1
65.01991	0.1
68.67509	0.1
69.36161	0.1
69.36493	0.4
93.20564	0.1
98.21908	0.2
117.83734	0.1
119.94740	0.1
136.57722	0.1
140.15250	0.1
152.91760	0.1
157.06680	0.1
181.06517	0.1
183.08070	0.5
194.07343	0.3
194.92807	0.3
197.09747	0.1
198.06934	0.2
207.08012	0.1
208.08923	0.1
209.06058	0.1
209.09708	3.4
210.06802	0.4
210.10495	8.5
211.07640	9.0
211.10892	0.3
212.08087	0.3
212.33774	0.1
217.84927	0.2
224.08142	0.3
225.05823	0.2
225.09203	4.0
226.09587	2.4
227.07137	0.4
238.06415	0.9
239.07123	4.8
240.07664	0.3
253.06601	0.1
253.08684	5.2
254.09468	100.0
254.85669	0.1
255.06711	0.8
255.09830	4.1
255.23184	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	255.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61654	1.4
57.19647	1.4
58.18244	1.3
59.01365	5.9
59.82477	1.4
67.01878	1.5
68.87763	1.4
69.09499	1.4
69.76803	3.2
69.77156	3.0
78.95882	4.2
81.03428	1.9
85.02923	2.0
87.00862	1.9
89.99327	1.5
92.58919	1.5
93.03449	5.3
94.04237	21.1
95.05059	1.8
96.75633	1.8
96.95990	1.4
99.04513	43.2
100.04857	1.7
105.07089	17.7
107.05029	3.8
108.05808	4.4
109.06610	1.5
111.00858	4.0
111.04511	44.9
112.01662	1.8
113.46482	1.5
117.66027	1.6
121.06614	7.3
122.03740	3.0
123.08158	100.0
124.08503	3.1
125.02434	4.6
127.66888	1.4
129.01929	1.9
135.04518	5.3
139.07645	24.1
149.06067	4.0
152.91782	7.2
155.03470	9.0
167.07129	38.0
173.04486	2.3
176.04013	3.0
179.03467	5.5
184.97638	1.6
191.00291	2.2
191.05579	2.7
194.92731	11.2
211.06026	7.4
215.61440	1.6
225.02423	5.8
233.01385	1.7
234.99184	2.2
255.02832	2.1
255.05078	12.5
255.23280	71.9
256.23749	1.9
277.00198	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	255.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
70.05103	0.4
70.05426	0.7
72.99300	0.5
73.49778	0.3
79.64124	0.3
80.98482	0.4
91.44847	0.3
136.05350	0.3
152.91733	1.3
161.68640	0.3
167.04991	0.4
169.06616	0.4
183.04469	0.8
183.77216	0.4
184.05272	6.0
184.87584	0.4
192.74181	0.3
194.92783	2.9
195.04488	3.7
195.08209	0.4
196.05203	1.3
196.08955	2.8
197.02426	5.5
197.06023	0.4
199.07869	0.3
209.06190	0.4
211.03989	8.0
211.07660	0.8
212.04784	47.6
213.05217	1.8
215.03578	0.4
219.84535	7.2
223.03943	2.3
224.04793	0.8
225.05602	0.8
227.07132	0.8
227.10728	0.6
236.04861	0.4
237.05559	5.1
238.06303	0.9
239.03494	5.6
239.07042	2.5
240.04263	17.0
240.07909	16.4
241.04510	0.5
241.08290	0.7
254.85594	1.1
255.06613	100.0
255.10205	15.7
255.23274	8.7
256.06912	4.0
256.10672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43601	0.4
57.02670	0.4
59.01379	0.6
60.21474	0.4
62.66287	0.5
63.02383	0.5
65.00320	0.6
69.28989	2.7
70.98158	0.4
72.99300	0.7
78.95895	0.6
96.95993	0.5
98.22694	0.5
121.02965	0.5
137.06094	2.4
141.07153	1.2
149.02522	0.8
149.06158	0.8
152.91768	2.0
165.05582	3.1
165.07091	8.4
167.04991	1.8
167.08673	3.8
169.06580	9.3
171.08183	0.9
174.25601	0.5
181.06592	1.7
183.08145	1.9
193.06577	17.0
193.16006	1.3
194.92786	3.8
195.04541	0.9
196.05286	1.0
196.09024	0.6
209.06076	17.4
210.06619	0.8
211.07648	23.7
211.17020	0.6
212.04805	0.8
212.08063	1.0
219.84549	10.0
227.10893	0.6
237.05573	18.3
237.14938	0.6
238.05949	0.9
240.07907	9.9
254.85587	1.4
255.06627	100.0
255.10179	9.2
255.15765	2.9
255.23271	10.2
256.07043	4.8
256.10971	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	255.0663
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
59.01374	0.6
63.02398	4.8
65.00322	6.7
67.01908	0.4
68.99805	0.3
69.56501	0.6
69.56889	0.6
71.60860	0.3
83.00916	0.6
83.01384	6.4
88.41760	0.3
95.01383	0.5
107.01389	7.8
108.02183	1.0
123.00874	0.7
133.02957	0.6
136.01654	1.4
141.07130	0.8
143.05081	0.3
145.06586	5.8
151.00371	10.8
152.91753	1.2
164.01169	1.5
169.06607	2.2
171.04498	5.2
171.30965	0.3
172.05301	1.7
172.88057	0.4
183.08051	0.5
183.64511	0.3
184.87616	0.4
185.06062	2.3
187.07655	2.0
193.06511	0.3
193.15985	0.8
194.92735	1.9
211.07628	3.1
213.05554	9.9
213.07513	0.6
214.05879	0.4
219.84521	6.8
220.57365	0.3
227.07111	0.8
239.07089	0.5
240.07689	0.4
254.85403	0.4
255.06616	100.0
255.23273	7.0
255.82196	0.5
256.06989	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	255.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61980	0.2
59.01391	0.3
59.60429	0.3
74.54169	0.2
95.01401	1.0
96.30941	0.2
121.02942	0.5
121.47858	0.3
122.03716	0.9
140.26779	0.2
149.06084	0.3
160.05359	0.4
169.06523	0.3
181.06590	6.0
183.04482	3.1
194.92790	0.7
196.05257	1.2
197.06044	2.2
211.07784	0.5
212.93814	0.3
219.84538	1.3
224.04794	6.9
225.05568	40.2
226.05911	1.6
239.07138	25.0
240.07901	11.1
241.08244	0.4
255.10257	100.0
255.23306	4.9
256.10611	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	255.1025
Annotation	Pterostilbene
Peak:m/z	Relative Intensity
52.56727	0.2
56.95682	0.2
58.41330	0.2
69.23729	1.1
75.51406	0.2
95.01392	1.1
122.03732	0.8
138.03271	0.2
144.67763	0.2
145.02940	0.2
152.06291	0.4
152.91664	0.2
153.06993	0.2
157.06575	0.2
160.05319	0.5
169.06573	0.4
175.14886	0.2
180.05711	0.4
181.06595	7.6
182.06937	0.4
183.04509	4.2
194.92828	0.4
196.05290	1.9
197.06090	2.4
209.03941	0.2
209.06050	0.5
211.07635	0.3
224.04793	8.1
225.05563	44.1
226.05898	1.5
237.14961	3.4
239.07127	27.3
240.07890	10.5
241.08183	0.3
255.10254	100.0
255.23244	3.0
256.10583	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	255.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58088	1.0
59.01379	1.7
65.78851	1.0
68.63728	0.9
71.43864	1.0
91.81263	0.9
95.01390	1.4
128.83926	1.1
149.05989	1.1
151.11386	1.2
152.91757	2.6
181.06607	4.4
183.04543	2.1
194.92755	5.0
196.05363	1.1
196.08890	2.3
197.06024	2.0
200.33266	1.1
212.08333	2.3
219.84509	9.4
224.04796	6.0
225.05569	28.6
226.05785	1.8
237.14865	2.0
239.07123	19.5
240.07903	54.8
241.08195	1.4
255.06204	2.8
255.10251	100.0
255.15984	3.5
255.23297	26.5
256.10495	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	255.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90529	0.9
59.01387	1.1
60.06884	0.8
61.72321	0.9
70.43462	1.2
70.43802	0.9
96.96031	1.1
118.57540	0.9
118.62572	0.8
134.03764	1.2
149.06001	1.1
152.91760	6.1
156.35222	0.9
167.90541	1.1
169.06560	0.8
170.88315	1.3
172.88063	2.7
184.87628	1.1
194.92766	7.9
196.08922	3.7
204.31003	0.8
211.07619	3.8
212.04768	1.3
212.08318	5.2
212.93837	1.6
219.84534	37.8
225.05403	1.1
227.07213	1.2
227.10707	1.6
239.07167	8.4
240.07904	100.0
241.08240	3.8
254.85643	3.7
255.06648	8.8
255.10248	93.3
255.23288	22.4
255.82236	1.9
256.10651	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	255.1026
Annotation	Pterostilbene
Peak:m/z	Relative Intensity
57.10079	0.4
69.41231	1.7
94.01154	0.4
95.01376	0.6
104.63306	0.4
117.03692	0.3
122.03739	0.8
145.34018	0.3
152.91769	0.6
160.05400	0.4
172.50020	0.4
181.06578	5.9
183.04521	3.8
194.92760	1.1
196.05350	1.5
197.06055	1.8
202.21022	0.4
219.84508	5.3
221.17775	0.4
221.55852	0.4
224.04785	7.0
225.05562	38.4
226.05865	1.2
239.03516	0.5
239.07127	25.3
240.07855	9.7
255.10249	100.0
255.23329	1.6
256.10583	4.4
270.47150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1025
Annotation	Pterostilbene
Peak:m/z	Relative Intensity
61.92470	0.4
70.65167	0.8
74.12556	0.5
91.05519	0.9
113.82329	0.4
115.74388	0.4
116.09660	0.4
135.04515	8.2
136.05295	59.9
137.05678	1.0
139.11450	0.5
152.74971	0.4
152.91745	1.0
163.03923	0.7
164.04782	31.2
165.05174	0.6
173.48482	0.4
194.92809	1.4
219.84520	6.9
227.10762	38.3
228.11102	1.3
240.07884	0.8
254.85616	0.5
255.10240	100.0
255.23256	1.4
256.07870	0.8
256.10574	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	255.1138
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.47306	0.2
65.03951	0.5
67.01866	0.5
68.59529	0.2
69.47910	0.8
80.02630	0.3
90.03405	0.2
92.05044	0.4
95.04496	0.2
95.04998	1.2
98.22663	0.3
103.74951	0.2
108.04540	0.9
120.04540	1.5
121.05370	0.3
122.06126	1.0
129.89578	0.2
132.04564	0.9
134.06125	6.4
136.07765	0.2
137.06287	0.2
145.05354	1.6
146.06140	0.5
148.07744	0.5
159.05623	3.4
160.06354	0.9
163.40982	0.2
182.06065	2.7
196.07620	2.3
197.08487	2.3
210.09186	0.4
211.08669	0.4
212.10796	9.4
212.12842	0.4
213.11096	0.5
225.06659	1.9
226.07449	5.2
227.08026	0.2
228.10263	0.8
238.07568	0.4
239.08247	5.4
240.09030	13.3
241.09380	0.5
255.11371	100.0
255.23253	1.4
256.11697	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	256.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30186	0.9
61.98830	100.0
69.87121	1.1
81.03429	1.5
115.89983	1.0
132.13992	1.0
143.02203	1.0
187.07591	2.8
193.05038	6.2
213.09200	12.0
222.28351	1.0
231.10242	4.7
234.01990	1.0
255.23293	15.0
256.23645	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	256.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03447	4.0
58.02967	1.3
59.01373	6.2
66.03491	1.1
67.01882	0.8
68.05067	1.2
68.69486	0.7
68.92316	0.7
69.03456	12.0
70.29404	1.9
71.05019	2.4
73.02937	8.3
74.02486	0.7
82.02991	2.7
83.01389	1.4
83.05036	1.2
84.04546	10.5
85.02972	2.6
87.73513	0.6
91.50227	0.6
94.03005	2.6
96.04547	2.1
98.06106	5.0
101.06091	0.7
104.03537	2.7
108.04527	0.7
108.08202	1.8
110.02477	0.9
110.06127	1.5
112.04052	5.1
113.02448	21.8
114.05599	1.3
115.04030	1.2
121.05333	1.8
122.06125	6.2
124.04063	2.6
124.07691	4.0
126.05605	2.0
126.09244	9.7
127.05051	0.6
136.04056	2.3
138.05594	1.0
142.05095	100.0
142.08769	2.0
143.05383	1.3
148.07690	2.3
150.05612	0.7
150.09259	8.9
152.07167	2.4
155.23030	0.7
159.02954	1.3
166.08737	3.3
168.06656	15.1
168.10297	15.5
170.08229	12.6
176.04083	1.1
176.07150	3.4
184.09801	2.3
194.08211	6.7
196.06142	3.7
210.07700	5.3
212.09262	4.8
214.07205	2.8
228.08781	1.5
238.07202	3.1
255.23210	1.1
256.08246	54.7
256.23660	1.1
257.08691	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	256.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.6
59.01377	6.1
66.03450	0.8
66.43370	0.8
68.05018	1.4
69.03451	14.1
73.02937	6.7
82.02966	2.7
83.01365	1.1
83.04977	0.9
84.04540	12.9
85.02966	2.5
87.00864	1.2
88.44584	0.9
94.02991	2.5
96.04538	3.8
97.02956	1.5
98.06100	6.4
98.44852	1.0
106.06645	1.2
108.04597	1.0
108.08169	1.0
110.06100	2.3
112.04043	6.1
113.02450	17.0
114.05582	1.1
122.06119	5.1
124.04002	2.0
124.07645	4.4
126.01976	5.5
126.05579	1.9
126.09249	10.5
136.04047	2.4
141.65332	0.9
142.05093	100.0
142.08730	2.8
143.05426	2.2
143.07172	1.3
148.07581	2.0
150.09242	7.7
152.07133	3.2
161.85835	0.9
166.08694	3.3
168.06657	13.5
168.10286	16.5
170.08218	10.9
174.04863	1.3
176.04071	1.9
176.07141	3.1
182.08119	1.0
184.09843	2.0
186.14946	0.9
194.08202	6.6
196.06143	2.7
201.00793	1.1
210.07692	5.3
212.09344	4.9
214.06984	1.2
225.50130	0.8
228.08766	2.2
238.07114	2.2
255.23277	21.1
256.05960	1.8
256.08240	51.7
256.23615	13.0
257.08514	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	256.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.8
59.37077	0.3
69.03455	0.3
69.61871	0.9
71.01383	1.0
85.02936	4.9
87.00878	0.3
87.04519	0.5
90.97144	2.4
97.02944	0.6
98.00098	0.3
98.22579	0.4
98.93914	0.4
99.13329	0.2
115.03985	0.5
118.96606	0.9
125.00948	0.5
125.09650	0.3
126.98875	0.4
128.98695	0.4
132.98195	7.5
134.37192	0.3
144.98207	1.1
152.07207	0.3
156.98195	0.4
158.99750	5.0
159.02890	0.4
160.97688	5.6
168.98198	0.7
169.08705	1.6
170.99803	2.3
174.99239	5.6
176.04024	0.4
182.99922	0.5
184.93622	0.5
185.98450	0.9
186.99243	8.2
189.00877	0.3
196.99384	0.7
198.99236	2.3
201.00810	100.0
202.01149	1.8
203.02374	37.0
204.02670	0.4
210.99236	1.2
212.97478	0.3
213.00826	6.9
214.98717	1.8
226.98734	0.7
229.00226	1.3
238.98706	0.6
244.99846	0.8
247.01253	0.4
256.99786	65.7
258.00137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72090	0.6
59.01362	4.5
67.94926	0.6
69.03460	1.4
70.96317	1.0
71.01398	1.2
71.05038	0.8
72.99273	0.7
73.02953	0.7
78.95901	0.8
82.03015	0.7
83.05039	0.9
85.02948	4.6
85.97719	0.6
87.00866	4.5
87.04530	1.4
89.01501	0.6
90.97154	2.9
93.03431	1.0
96.96014	1.0
96.96957	0.8
100.93388	1.0
112.04063	2.1
114.05669	0.8
114.98898	0.8
115.03993	9.6
115.31749	0.7
115.92088	3.0
117.00526	0.8
118.96609	0.9
124.04019	1.2
125.00909	3.8
126.98875	7.7
127.08779	0.9
128.03555	1.6
129.06738	0.7
130.94640	0.8
131.08238	4.6
132.98186	7.9
135.04582	1.1
136.93983	0.7
142.05141	1.0
144.98230	1.1
152.24168	0.7
155.01971	1.8
158.39587	0.7
158.99696	4.2
159.01738	1.2
159.02950	6.8
159.65291	0.6
160.97684	7.2
162.25424	0.7
167.04648	1.3
167.35503	0.6
168.98427	0.8
168.99918	3.9
169.03537	0.7
169.08748	1.4
170.99768	1.3
173.10460	3.0
174.00781	0.6
174.99213	6.7
176.04013	3.8
176.54179	1.2
179.03448	1.4
181.01208	1.2
184.93541	1.3
185.03027	1.3
185.98398	0.9
186.99219	8.1
196.99474	7.8
197.03078	7.4
198.05504	0.8
198.60071	0.7
198.99229	2.3
201.00806	100.0
202.01193	1.2
203.02371	41.7
210.99266	1.3
213.00807	6.7
213.07599	0.7
214.98755	2.5
229.00269	0.9
239.06981	0.7
240.03839	1.4
240.06654	3.6
244.99791	1.1
247.01328	1.0
256.13049	4.3
256.23618	6.4
256.99771	73.3
257.13351	3.5
257.24005	0.8
258.00098	1.3
258.02698	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	257.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.1
71.05018	3.3
73.02935	4.6
77.76900	1.1
83.05004	1.5
98.22601	3.3
115.04037	2.3
123.08124	4.1
125.09742	8.9
135.04539	2.9
141.09213	32.1
159.03015	2.6
169.08699	100.0
170.09009	1.7
176.04001	3.6
179.03375	2.1
213.07692	19.9
225.98795	1.4
257.06665	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	257.0819
Annotation	Lunularic acid
Peak:m/z	Relative Intensity
55.01867	1.9
61.98822	1.2
70.52344	1.0
71.03000	0.5
81.03461	5.8
113.99619	0.5
121.02935	0.6
122.03728	1.6
123.04534	1.1
131.04997	1.6
141.07089	1.1
143.08682	0.5
151.03967	0.9
151.78061	0.5
157.06546	2.0
185.09705	3.6
187.07645	21.6
213.09198	100.0
214.09581	4.3
231.10249	45.7
232.10558	1.4
256.23611	1.2
257.08224	3.7
259.74896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0821
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
60.82355	0.5
68.67236	0.5
69.36349	0.4
81.03455	5.8
83.05003	1.2
86.86899	0.5
87.31725	0.4
87.37190	0.5
93.03472	0.9
95.05025	0.9
98.22806	0.9
107.05067	0.7
108.02158	1.5
109.02977	0.6
109.06577	1.3
120.20951	0.5
121.02943	3.1
122.03740	45.2
123.00896	0.8
123.04559	8.3
124.01784	0.7
125.02434	1.4
135.04578	0.7
137.02431	1.7
151.04073	3.7
151.07649	16.3
153.01921	0.7
169.06583	2.0
169.10243	4.1
171.08156	15.3
206.66290	0.5
213.09209	92.8
214.09575	3.2
219.84491	4.2
220.84537	1.6
221.84221	8.0
229.08676	4.1
241.36124	0.5
243.98061	0.6
256.23532	0.7
257.08194	100.0
257.11603	3.1
257.12286	2.9
257.17517	2.2
258.08615	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	257.0818
Annotation	3,4,5'-Trihydroxy-3'-methoxystilbene
Peak:m/z	Relative Intensity
56.54161	0.5
63.78591	0.4
65.00319	2.8
65.03942	0.4
67.01875	1.7
68.99809	1.5
70.61163	1.0
78.31409	0.4
81.03467	3.6
82.00608	0.5
87.18114	0.4
91.34071	0.4
92.02648	2.1
93.03462	1.9
95.01375	0.5
95.05032	1.1
99.73162	0.4
105.03448	0.6
108.02164	1.9
109.03018	0.5
109.06534	0.4
116.78171	0.4
119.04993	1.1
121.02955	0.7
122.03737	5.3
125.09722	0.6
130.04225	4.6
131.05054	0.7
131.08661	1.3
136.05295	0.7
137.02414	4.2
143.05009	1.0
144.05779	0.7
145.06583	12.8
146.07399	2.2
147.04495	0.5
149.02405	0.4
149.06070	6.3
151.04045	2.1
151.07639	10.0
153.07108	0.8
156.05807	1.1
157.06589	0.4
157.59749	0.4
158.03706	3.0
159.04489	1.7
160.01637	0.9
161.09717	19.3
161.11072	0.9
162.10098	0.7
169.06537	2.2
170.07372	1.5
171.04501	1.9
171.08157	0.7
172.05312	4.4
173.06070	14.5
174.06654	0.6
175.03960	2.3
180.05739	0.6
182.03709	0.8
183.04460	1.3
185.09668	1.0
187.07655	7.7
189.09203	12.7
190.09593	0.5
196.05273	1.7
197.06067	18.6
198.06822	4.4
199.03989	2.9
213.05571	16.8
213.09129	8.0
214.06300	4.5
215.07085	3.4
219.84525	1.7
220.84506	0.7
221.84248	3.7
224.04836	1.4
225.05521	1.5
227.03513	1.1
229.08678	48.6
230.09024	1.6
239.07100	0.8
241.05048	24.9
242.05643	2.0
242.08452	0.8
257.08182	100.0
258.08453	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0819
Annotation	Apigeniflavan
Peak:m/z	Relative Intensity
51.79342	0.5
55.01893	1.7
69.57915	2.2
71.98324	0.5
76.20706	0.5
81.03479	2.2
83.05022	0.7
88.66653	0.6
91.05532	9.1
93.03466	1.0
94.04258	0.8
95.05054	1.2
98.21918	1.0
106.04226	1.0
107.05054	1.9
108.02225	0.8
108.05407	1.0
109.02956	0.8
110.03732	1.4
123.00896	11.8
123.04510	1.9
125.02433	3.5
135.04546	2.2
136.05312	23.6
137.02448	19.6
137.06079	1.6
138.03239	11.4
138.06398	1.0
141.07202	0.6
151.03999	3.3
151.07643	4.4
165.05576	2.1
165.06956	0.9
166.02739	2.4
166.05948	2.3
169.06625	0.9
170.02292	0.6
179.08655	1.2
181.10233	10.8
182.10606	0.8
185.09720	15.9
186.10152	0.6
205.52853	0.5
219.84486	6.2
220.84531	2.4
221.84241	11.0
225.09230	6.8
226.09511	1.6
229.08694	27.8
230.08986	0.7
241.05009	0.6
242.05614	0.7
256.23547	0.9
257.08234	56.7
257.11823	100.0
257.82056	0.8
258.08597	2.1
258.12103	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	46.2
69.03461	1.1
69.13196	2.2
69.13612	4.3
72.99309	6.0
85.02937	1.2
93.03473	2.4
96.50628	0.9
98.22686	1.9
107.08658	1.0
109.02962	1.2
125.09724	4.7
128.07156	1.1
133.02963	6.5
133.06616	1.1
135.04517	7.7
135.08160	4.6
137.02411	1.3
141.09210	1.0
146.93335	0.9
148.30304	1.1
153.09213	100.0
154.09573	2.4
159.02991	1.5
161.02428	14.6
162.02803	1.6
169.08678	4.5
171.10272	5.9
173.04543	3.4
176.04028	3.0
179.03546	7.0
179.07129	1.6
187.07649	10.1
191.05598	4.3
197.08182	17.5
199.04059	1.0
213.09178	2.1
213.71896	1.0
215.09219	82.9
216.09549	2.2
227.03506	1.2
239.11836	1.1
257.08087	8.6
257.10327	16.2
257.13110	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	40.7
59.60921	0.5
69.31472	1.6
72.99323	0.8
81.03474	0.7
85.02931	0.7
93.03429	1.0
99.04493	0.9
115.04027	0.8
121.05302	0.5
122.06103	0.6
125.09726	0.9
133.02953	1.4
135.04533	3.3
135.08173	4.7
136.07663	2.7
153.09210	100.0
154.09566	2.2
157.41817	0.5
161.02420	3.2
169.08722	1.5
171.10255	1.3
176.04013	5.7
179.03542	3.6
191.05629	1.9
194.09196	0.5
197.08188	23.1
198.08478	0.8
201.00710	0.7
215.09224	19.2
257.04776	1.1
257.08157	0.9
257.10367	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	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	41.5
63.14627	0.6
67.01878	0.7
69.09238	3.3
70.49359	0.6
71.01327	0.7
72.99303	3.0
85.02958	0.8
93.03454	1.5
94.51881	0.7
99.04527	0.8
109.34743	0.6
111.04521	0.8
116.05064	0.8
121.82015	0.9
125.09723	2.1
129.66870	0.6
135.04526	5.5
135.08136	4.6
153.09207	100.0
154.09540	2.9
169.08716	2.8
171.10268	3.1
176.04030	15.5
176.54182	2.7
179.03503	5.0
185.70433	0.6
197.08170	13.7
215.09229	47.2
216.09573	1.1
239.11783	1.2
257.10352	12.0
257.13300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	50.4
69.43053	1.7
69.43438	1.5
71.01378	1.3
72.99308	5.3
74.06864	0.5
79.44717	0.6
82.39189	0.7
93.03481	1.2
97.01165	0.7
98.22568	1.3
100.67570	0.7
103.60051	0.7
106.04237	0.9
107.08647	1.0
111.00840	0.7
115.04028	1.1
123.08199	0.7
125.09748	3.6
131.58994	0.6
133.02921	2.5
135.04535	3.4
135.08162	5.0
141.00136	1.0
141.09192	1.0
153.09212	100.0
154.09566	3.8
159.03009	1.2
161.02428	5.5
169.08669	6.4
171.10294	4.1
173.04596	1.7
176.04015	1.5
179.03477	3.1
179.07100	0.9
187.07652	3.3
191.05646	1.9
197.06482	1.3
197.08199	19.1
198.08401	0.7
215.09229	78.6
216.00565	0.7
216.09621	2.3
224.81273	0.7
229.05150	0.7
257.04492	1.4
257.08151	2.2
257.10370	17.2
257.13834	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	257.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42912	0.2
69.12715	1.0
69.13123	0.6
71.66489	0.2
76.41812	0.3
93.03443	1.6
98.22595	0.6
106.04241	44.2
107.04576	0.9
108.02184	0.5
120.02180	1.2
121.02957	2.3
122.03729	0.6
131.62602	0.2
136.05295	10.0
137.06094	0.3
138.03250	2.4
149.02434	1.0
151.04007	4.5
151.07642	9.8
153.01904	0.8
195.06609	0.4
209.06102	0.3
210.06818	2.6
225.05615	0.3
227.07123	1.5
228.07535	0.3
242.09470	0.6
255.10335	0.6
257.11816	100.0
258.12103	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	257.1181
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
50.73206	0.2
69.82072	0.5
77.73045	0.1
93.03461	1.2
95.01392	0.2
98.22614	0.2
106.04243	43.1
107.04530	0.8
116.92840	0.2
120.02164	1.1
121.02950	2.2
122.03730	0.8
123.00897	0.2
136.01591	0.2
136.05296	9.4
137.06036	0.3
138.03217	2.4
149.02429	1.1
151.04012	4.2
151.07645	9.0
152.07945	0.2
153.01955	0.7
195.06610	0.6
199.07605	0.2
209.06042	0.2
210.06865	2.2
219.84604	0.3
221.84229	0.8
225.05553	0.2
227.07190	0.7
239.07187	0.3
255.10258	0.7
257.11829	100.0
258.12170	4.7
270.45886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1183
Annotation	Stilbostemin D
Peak:m/z	Relative Intensity
50.94304	0.3
61.84674	0.3
70.46964	0.7
81.03460	2.5
93.03463	2.1
106.04243	16.9
116.06770	0.4
119.05037	0.5
121.02882	0.5
122.03735	1.9
123.04575	0.4
125.02442	1.4
127.64188	0.4
135.04536	3.4
136.05299	49.8
137.05702	1.1
138.03223	0.9
150.03181	1.1
151.00403	0.6
151.04099	0.9
151.07646	63.5
152.07957	1.1
156.05774	0.6
165.05684	0.4
168.04321	0.7
169.06607	0.4
171.08188	0.6
173.06073	1.6
213.09215	6.7
219.84512	1.6
221.84198	3.5
225.95149	0.3
227.07118	0.7
239.07050	1.1
241.08757	0.7
257.08234	16.8
257.11823	100.0
258.08572	0.8
258.12177	4.6
275.13004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1183
Annotation	Mansonone G methyl ether
Peak:m/z	Relative Intensity
52.88699	0.4
53.57362	0.3
59.01357	0.5
69.22202	1.0
69.22617	1.1
69.79500	0.3
72.99340	0.5
74.81767	0.4
77.02981	0.4
78.48708	0.4
80.41360	0.4
91.27525	0.4
93.03464	1.6
94.61674	0.3
101.04755	0.3
106.04242	11.0
121.02921	0.6
122.03721	1.0
135.04526	2.7
136.05299	52.8
137.02440	0.9
137.05615	1.2
138.03241	1.3
150.03265	1.0
151.07646	77.6
152.07971	1.7
164.11534	0.4
165.05623	0.4
167.03549	0.6
168.04375	0.8
172.63640	0.4
219.84525	2.6
220.84494	0.4
221.53607	0.4
221.84241	4.5
225.09207	0.5
227.07062	0.5
235.69632	0.4
257.11826	100.0
258.12164	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	257.1183
Annotation	Stilbostemin D
Peak:m/z	Relative Intensity
54.05480	0.9
59.01375	1.1
70.91739	1.2
76.89491	0.8
91.05488	0.8
93.03443	3.4
104.30488	0.9
106.04247	11.5
113.02450	1.1
122.03699	1.6
133.02930	1.8
135.04524	3.7
136.05299	43.9
151.07645	60.7
152.08002	1.6
161.02452	4.5
173.04517	1.6
179.03467	1.6
213.09219	5.9
219.84575	10.2
220.84526	3.2
221.82623	0.5
221.84235	22.9
257.11823	100.0
257.17542	3.3
257.82144	1.0
258.12173	5.2
274.67041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1183
Annotation	Mansonone G methyl ether
Peak:m/z	Relative Intensity
55.01882	2.1
69.26015	1.9
69.26431	1.0
71.70746	0.4
72.99255	0.5
73.95867	0.4
81.03455	1.4
82.76662	0.5
86.79642	0.4
91.05527	7.5
93.03486	0.7
94.04275	0.8
95.05039	1.1
103.02344	0.5
106.04218	0.8
107.05025	1.6
109.02968	0.8
110.03748	1.3
122.03735	0.5
123.00887	8.4
123.04531	1.1
124.01678	0.6
125.02443	2.8
126.77508	0.5
135.04526	1.6
136.05304	23.5
137.02440	15.7
137.03491	0.8
137.06052	1.5
138.03238	9.4
138.06400	1.7
139.04041	0.7
145.06577	0.8
151.00461	0.5
151.03987	2.9
151.07628	3.9
165.05571	1.6
165.07018	0.6
166.02759	0.9
166.05907	2.3
169.06555	1.1
170.02278	0.6
177.35893	0.6
179.08665	1.0
181.10226	10.9
182.10585	0.6
183.08093	0.8
185.08038	0.7
185.09709	13.9
219.84531	6.0
220.84576	1.7
221.84241	11.4
225.09256	5.8
226.09528	1.1
228.73112	0.5
229.08681	20.8
230.09100	0.8
233.26489	0.5
241.04892	0.5
257.08218	42.0
257.11804	100.0
258.08563	1.9
258.12097	4.1
276.99417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1184
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
60.99743	0.6
69.03431	0.9
70.87513	0.7
101.22205	0.5
109.02967	0.6
111.04507	2.7
123.04523	30.7
135.04523	0.9
136.05215	0.8
148.05287	1.8
151.04005	80.1
152.04796	31.2
153.05571	4.9
182.57269	0.7
184.87767	0.7
201.09164	2.9
211.11374	0.7
213.05479	1.3
214.06508	0.7
215.10756	2.0
219.84544	3.1
220.84579	1.5
221.84241	8.0
224.08461	6.0
239.10773	16.8
242.06018	4.5
242.09479	100.0
243.09866	4.4
257.08395	4.0
257.11826	78.9
257.81934	1.0
258.12195	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	257.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31863	0.1
64.48016	0.1
71.43779	0.1
74.78523	0.1
93.03448	1.5
95.01392	0.2
106.04240	41.3
107.04563	0.8
108.02135	0.4
120.02180	1.2
121.02948	2.4
122.03741	0.6
123.00870	0.1
125.02416	0.2
136.05290	9.1
137.02473	0.1
137.06055	0.4
138.03226	2.3
139.03510	0.1
149.02429	1.0
151.04010	4.3
151.07642	9.2
152.07983	0.2
153.01933	0.7
165.79491	0.1
167.03516	0.1
170.22253	0.1
183.08212	0.2
195.06610	0.7
195.08228	0.1
199.07652	0.3
209.06067	0.2
210.06848	2.2
211.07516	0.2
219.84363	0.1
225.05595	0.1
227.07143	1.1
228.07555	0.1
239.07127	0.1
242.09456	0.8
251.42380	0.1
255.10188	0.8
257.11816	100.0
258.12143	4.7
263.09091	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	257.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33564	1.1
53.34985	1.3
59.01365	1.5
59.41336	1.1
69.93808	1.2
92.92773	1.4
99.00862	1.4
104.05395	1.2
111.00893	1.3
116.92820	3.1
128.61389	1.0
138.49852	1.3
209.19046	4.1
209.55716	1.3
211.20657	56.0
212.20950	1.9
219.84497	6.8
220.84508	2.6
221.84235	19.0
239.20212	3.0
255.19650	1.5
257.21213	100.0
258.21457	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	257.2122
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
57.53816	0.7
57.96421	0.7
70.66212	1.1
90.87820	0.6
96.99252	0.7
106.04254	1.5
116.92815	1.1
183.17485	0.8
203.97212	0.7
207.17563	1.0
209.19072	3.4
211.20660	61.6
212.20946	2.0
219.84531	7.3
220.84494	1.5
221.84250	11.1
239.20160	2.0
257.12039	3.5
257.21210	100.0
258.21536	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	258.0896
Annotation	Caerulomycin C
Peak:m/z	Relative Intensity
51.84907	0.1
53.79423	0.1
58.16688	0.1
67.01882	0.3
70.73560	0.1
80.34712	0.1
82.56693	0.1
93.03461	13.4
94.03810	0.2
104.53161	0.1
120.02120	0.1
121.02960	100.0
122.03293	2.2
136.05321	0.3
150.01573	0.1
151.04037	0.3
175.07657	0.2
197.06038	0.3
199.07526	0.2
219.84567	0.3
221.84250	0.9
225.05473	0.4
242.05791	0.2
243.06595	1.5
257.08258	0.2
258.08963	42.7
259.09335	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	258.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95191	0.6
57.16994	0.7
58.02951	0.9
59.01367	1.7
69.52486	2.1
70.02969	1.8
71.01379	12.5
80.31654	0.6
88.04034	100.0
94.40687	0.7
96.99300	6.0
97.26534	0.7
103.51534	0.7
106.27271	0.6
114.01968	6.4
114.39310	0.7
115.00367	21.3
118.34987	0.8
132.03017	4.8
142.12367	67.2
143.10765	31.4
143.12582	1.6
168.13947	0.9
196.13396	4.2
214.14478	25.9
219.84503	6.5
221.84227	15.0
240.12383	4.4
257.81931	1.2
258.13428	77.6
259.13715	2.6
271.65906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0134
Annotation	D-Galactose 6-sulfate
Peak:m/z	Relative Intensity
59.01373	3.7
62.97573	0.6
67.38066	0.6
69.03438	1.5
69.21387	1.8
69.21790	1.4
71.05022	2.1
78.95959	0.6
90.97124	0.9
93.89375	0.5
97.02951	2.7
99.04516	31.9
100.93379	1.0
115.04017	18.5
115.92062	1.1
116.92931	0.6
121.99557	0.6
132.98215	1.7
143.03500	70.8
144.03957	1.1
155.00252	1.4
161.04559	0.8
170.99757	8.0
173.01370	0.7
182.99753	2.4
185.01311	11.1
185.86694	0.6
185.98489	0.8
186.99223	2.0
187.02840	3.7
197.01344	2.4
198.99321	1.5
201.00751	0.8
210.99007	0.9
213.00819	40.0
215.02396	4.0
217.00337	2.2
229.00319	1.9
241.00291	12.4
259.01337	100.0
260.01746	2.1
266.25311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
51.43280	0.7
70.77166	1.1
71.01370	1.6
72.99305	1.5
74.02460	0.7
78.95903	85.3
79.63985	0.6
96.57745	0.7
96.96960	100.0
101.02460	1.0
101.54285	0.7
110.36269	1.0
114.02013	0.7
115.00386	0.7
127.05161	0.6
127.60315	0.6
128.03535	0.8
131.04616	1.4
133.01396	0.7
138.98000	4.9
139.91771	0.8
145.06114	0.7
168.99066	2.2
172.83798	0.7
199.00143	3.3
213.05252	0.9
220.49263	0.7
240.97557	0.8
241.01157	1.3
241.04662	0.8
259.02228	23.8
269.43173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	alpha-D-Glucose 3-phosphate
Peak:m/z	Relative Intensity
51.16328	1.2
51.35665	1.2
51.75891	1.1
57.03456	2.4
58.99604	1.4
59.01372	6.0
70.25682	3.0
71.01368	6.5
71.05010	2.5
72.99293	4.4
73.02905	1.2
77.81908	1.3
77.93891	1.2
78.95895	5.0
83.01379	2.1
85.02927	1.9
87.00861	1.8
88.98799	1.9
92.95517	1.2
96.96945	7.5
99.00882	13.8
99.04527	23.1
100.93359	4.1
111.00883	6.6
111.04580	1.1
112.98817	14.2
115.00358	2.0
115.04015	14.2
115.92073	3.8
116.07133	2.3
129.01917	3.8
130.08725	1.9
131.03467	2.1
132.98177	3.3
138.89685	1.3
143.03510	63.5
144.03831	1.3
154.53247	1.4
161.04539	4.4
170.99776	5.9
173.00980	4.1
182.99777	2.0
185.01329	11.2
186.99214	4.2
187.02940	2.1
191.01962	1.5
197.01340	2.5
198.99138	1.4
213.00815	33.5
215.02335	3.7
217.00304	1.4
241.00058	8.9
242.06735	1.2
259.01337	100.0
260.02017	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	259.061
Annotation	3,3',4,4',5-Pentahydroxystilbene
Peak:m/z	Relative Intensity
51.09545	1.0
54.01703	0.9
59.01380	1.0
60.08514	0.9
65.00301	0.9
68.98664	0.8
69.09654	2.9
69.10070	4.1
78.83788	0.9
91.25302	0.8
96.96979	1.3
107.75389	1.0
115.03970	1.0
130.04172	2.6
143.05013	4.2
144.05795	1.6
146.03712	0.9
147.04486	1.3
149.01859	1.0
155.05054	1.7
155.10835	1.2
158.03738	36.3
171.04446	5.5
172.05313	16.1
173.06073	30.5
175.03967	1.3
183.04497	5.4
199.04004	31.1
200.04790	19.2
201.01950	4.9
202.02731	7.6
215.07118	100.0
215.11678	7.0
216.07506	2.2
217.05025	5.8
259.06097	68.8
259.10840	3.9
260.06403	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	259.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
59.01375	8.4
67.75299	0.8
69.03454	1.1
71.01363	2.6
71.05027	1.5
71.42889	1.1
72.00906	9.8
73.02954	2.0
78.95877	2.5
83.01376	3.0
83.05011	2.5
86.02473	49.9
92.05058	53.3
93.03449	2.3
93.60974	1.1
96.96927	2.2
97.06564	2.5
99.04504	1.5
101.06095	2.3
109.02959	4.9
111.04517	1.8
113.06068	2.4
115.03989	3.9
115.07627	1.4
116.05061	53.4
117.05371	1.0
119.05032	1.6
121.02945	4.3
122.03633	1.0
124.01669	7.2
125.02460	11.5
129.05765	3.5
130.06610	1.0
130.08740	1.3
130.17152	0.9
135.04495	1.8
137.02432	14.5
137.06059	1.2
141.05614	1.1
142.06627	19.5
143.06122	2.3
144.08170	4.8
145.06555	1.4
146.03728	0.9
147.04477	3.7
148.05313	1.6
149.02388	2.2
149.06032	1.5
150.03239	5.8
151.04005	1.4
154.06631	4.8
156.06969	4.9
161.06047	1.5
163.03979	1.1
167.06125	1.0
169.07687	9.5
171.09270	55.3
172.05229	3.7
172.09671	1.2
173.02414	1.3
173.06088	8.3
174.03172	3.0
175.03993	17.6
179.10760	1.6
189.05568	6.3
191.07135	3.8
197.11742	3.3
199.09825	1.6
201.01872	1.6
213.05621	1.1
215.08264	100.0
216.08487	3.1
217.04982	4.9
217.10809	2.6
220.69463	0.9
231.06442	1.4
241.05051	1.9
241.10901	3.5
252.90918	1.1
259.02554	1.5
259.06073	26.6
259.11801	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0974
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
58.24535	2.3
59.01378	37.6
63.01036	2.7
66.45984	2.3
70.87323	4.3
83.05022	15.4
91.05537	100.0
96.96915	2.8
97.42493	2.2
111.04528	3.8
121.02890	3.0
123.04525	28.9
124.01640	14.6
125.02448	19.0
135.04504	7.6
138.03210	9.7
171.11601	3.0
182.91911	2.4
187.11214	8.2
189.01820	2.5
215.10782	65.9
216.11224	4.3
221.84229	14.7
222.84250	6.7
223.83955	7.4
233.69699	2.4
241.08720	6.2
259.06042	2.4
259.06915	2.3
259.09824	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0973
Annotation	Cyperine
Peak:m/z	Relative Intensity
55.01870	2.6
57.03436	2.6
58.84815	0.7
59.01373	1.4
65.03961	0.8
67.01872	1.3
68.99797	0.8
69.03456	3.6
69.68162	2.4
71.01377	1.9
71.05016	4.3
73.80769	0.7
78.23320	0.6
81.03453	5.5
83.05021	13.3
85.02943	20.8
91.05524	7.9
93.03461	1.4
95.01373	3.8
97.02956	9.0
98.22597	1.3
99.04525	6.1
108.02166	0.7
109.02949	10.9
110.03737	1.3
111.00871	17.7
111.04515	14.3
113.02430	1.7
118.51103	0.7
121.03018	0.9
122.03735	2.4
123.04513	9.6
127.03135	1.4
127.04015	21.2
130.04303	0.8
131.05014	3.2
133.06570	0.9
144.85252	0.7
145.06599	1.3
147.08150	2.8
149.06049	1.7
150.03236	2.8
157.06549	1.9
159.08197	1.1
161.06093	0.6
173.06064	24.0
173.07527	1.5
173.87875	0.6
182.07356	1.2
186.06842	3.0
187.11223	0.9
197.09750	4.8
213.09184	1.3
215.10721	2.9
220.84415	0.8
221.84200	2.2
222.84296	0.9
223.83900	1.6
241.08699	1.4
259.09726	100.0
260.10046	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	259.0974
Annotation	Cyperine
Peak:m/z	Relative Intensity
55.93142	0.2
64.71925	0.2
68.07512	0.2
70.64138	0.2
81.03451	1.5
93.03461	5.4
108.02173	1.1
116.58292	0.2
121.02956	100.0
122.03761	15.3
123.04530	10.0
125.02444	0.2
137.02448	0.5
138.03262	0.2
146.03781	0.2
158.07420	0.3
160.05316	1.1
161.06088	0.5
182.07368	2.6
187.04034	0.2
193.23026	0.2
199.07610	0.2
200.08376	0.2
215.07104	0.4
216.07835	0.8
226.06357	1.1
227.07126	0.3
227.12914	0.8
243.06604	2.3
243.09108	0.3
244.07390	86.8
245.07738	4.1
252.72597	0.2
259.09732	40.0
260.10114	1.6
272.55334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1184
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
54.22607	0.5
57.03431	0.9
58.00592	1.1
59.01379	10.7
66.59819	0.5
69.03453	1.2
69.60528	2.2
69.81131	0.5
71.01374	6.8
71.05003	4.9
73.02943	6.2
81.03445	0.8
83.04999	2.9
85.06559	0.6
95.05037	0.8
97.02928	1.0
97.06583	5.7
99.04514	2.8
99.08157	0.6
101.06075	9.8
102.06361	0.6
109.06578	1.4
113.02445	0.5
113.06091	6.1
115.04002	12.6
115.07642	1.0
125.02438	0.9
125.06056	0.6
129.01920	0.6
135.11774	1.4
137.02390	0.8
145.05058	6.0
150.03218	1.0
151.11307	0.7
155.10728	0.6
161.09651	1.0
169.08646	0.8
169.12279	0.7
175.03995	1.6
179.10771	6.0
182.29358	0.5
189.05499	0.7
197.11809	6.2
213.11179	0.6
215.12834	6.8
217.10684	0.9
223.09749	0.8
241.10809	10.4
259.06277	3.0
259.11832	100.0
260.12228	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.0
69.60268	1.5
69.60607	4.4
72.03154	1.1
96.96972	1.1
130.08728	19.2
137.09700	6.4
155.10774	100.0
156.11095	2.8
171.10265	21.9
181.08698	1.3
181.13461	9.1
197.11815	2.0
199.09750	32.8
213.12366	5.2
213.17909	1.2
217.10788	82.1
218.11050	2.4
221.28828	1.3
225.12407	11.6
259.02496	3.0
259.11813	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51677	0.5
53.78499	0.5
57.03421	0.7
59.01376	32.5
60.01729	0.5
61.27232	0.5
69.24275	0.5
70.90687	0.7
70.91031	0.6
81.03419	0.5
83.05016	6.4
96.73467	0.5
97.03060	0.4
109.06603	1.1
121.06522	0.5
127.11238	0.5
135.08185	0.6
137.09720	12.3
138.10051	0.6
155.10776	36.0
156.11084	0.6
181.08687	6.8
199.09756	100.0
200.10141	2.5
217.10867	2.6
225.83200	0.5
259.06116	0.8
259.11829	3.8
260.09302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16258	0.5
57.03452	1.2
57.39307	0.4
58.00596	0.9
59.01374	10.1
69.03439	0.8
71.01383	5.9
71.05022	4.6
73.02946	6.2
78.95921	0.5
83.05015	2.7
85.02938	0.6
85.06568	0.5
87.04483	0.9
89.37861	0.4
95.05004	0.9
97.02929	0.6
97.06593	5.2
98.22658	1.2
99.04507	2.9
99.08177	0.6
100.05267	0.6
101.06073	7.3
104.58992	0.5
109.06584	1.1
111.04470	0.5
113.06099	5.7
113.06821	0.8
115.04008	10.7
115.07623	1.9
127.07620	0.7
135.11827	2.3
145.05060	4.5
151.11348	0.6
153.12772	0.5
155.10803	1.2
169.08641	0.8
169.12338	0.8
179.10736	5.1
183.06834	0.7
197.11810	6.2
199.09779	1.2
208.44644	0.5
215.12869	8.1
217.10812	1.5
223.09755	0.9
237.62508	0.5
241.10789	9.4
250.13481	0.5
259.11844	100.0
260.12143	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	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29012	0.6
59.01377	24.9
62.68545	0.6
87.72243	0.6
98.22675	1.7
121.02957	1.2
137.09692	6.3
155.10774	100.0
156.11078	2.5
171.10260	17.1
181.08731	1.2
186.80582	0.6
199.09741	26.6
199.11552	1.5
217.10799	78.0
218.11208	2.9
227.07211	1.1
259.09232	1.0
259.11859	17.1
259.14557	1.2
281.27029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52110	0.6
59.01377	27.2
69.12570	4.3
73.02934	0.9
83.05022	0.6
127.11244	0.9
131.25723	0.6
137.09720	6.0
147.04675	0.6
152.86790	0.5
153.05528	1.5
155.10776	100.0
156.11089	2.9
161.02426	1.1
171.10269	16.5
181.08751	0.8
197.11848	2.8
199.09753	31.6
200.09958	0.6
217.10796	69.0
218.11174	1.7
220.51880	0.6
223.46939	0.6
241.10733	0.7
259.06268	0.7
259.11850	15.4
259.15179	0.9
260.12036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69403	0.4
59.01378	19.0
62.74817	0.5
69.38033	2.3
79.72903	0.5
83.05016	0.8
83.81310	0.4
93.03461	0.9
109.02966	0.6
121.02956	1.3
125.09739	0.6
127.11279	1.0
137.02451	0.8
137.09715	7.6
138.41521	0.5
151.04042	0.9
153.04419	0.4
153.05569	1.4
153.09195	0.7
153.12683	0.6
155.10774	100.0
156.11124	2.5
171.08739	0.9
171.10260	24.7
181.08717	2.4
199.09740	36.5
200.10059	0.9
217.10793	93.9
218.11195	2.9
253.59784	0.6
259.09201	1.2
259.11862	18.0
260.12170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35583	0.5
51.74501	0.6
52.99428	0.7
58.69551	0.7
59.01355	0.9
69.27437	2.6
74.47279	0.6
80.02661	1.9
81.03474	0.9
83.05020	5.4
84.02157	2.7
95.05041	1.5
98.21812	0.8
135.08124	1.2
158.77289	0.6
163.11295	4.5
165.12807	2.5
181.12323	0.7
185.11552	0.6
185.68826	0.6
191.10683	1.4
209.11816	100.0
210.12212	3.7
217.14407	1.5
227.12878	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	259.1914
Annotation	Ipurolic acid
Peak:m/z	Relative Intensity
58.00578	0.5
59.01379	2.5
61.98813	0.4
67.47173	0.4
69.03452	0.6
70.44067	0.5
71.01392	2.4
71.05022	8.6
73.02939	0.5
73.06590	0.4
74.17032	0.3
83.05039	0.6
87.04508	1.3
97.02985	0.4
99.04517	1.1
99.79639	0.4
100.05312	0.7
101.06085	5.9
125.28188	0.4
130.42235	0.4
139.11264	0.8
141.12860	16.8
171.13892	2.1
176.98161	0.6
183.17477	2.1
185.15433	1.6
195.17529	1.4
197.19102	0.5
213.18590	9.9
220.84538	1.0
221.84239	6.1
222.84210	2.1
223.83920	4.5
241.18088	3.1
257.17514	3.7
259.19125	100.0
259.81647	0.4
260.19418	4.3
265.79474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0233
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
57.97566	2.0
57.99347	0.8
58.84156	0.6
58.99604	100.0
59.01376	1.3
60.24619	0.7
70.61240	1.0
72.99297	1.1
74.00714	1.1
84.04544	1.0
85.02959	0.8
86.02473	1.7
96.96987	0.7
101.93408	1.1
102.98598	12.5
110.02490	2.3
112.04047	46.9
113.04379	0.8
116.01772	1.6
119.05043	2.0
128.03528	1.3
130.08763	1.9
144.01251	81.8
145.01547	1.0
163.97235	0.6
170.99765	0.8
172.04395	4.9
174.58589	0.8
180.06702	1.7
184.15572	0.8
216.03346	19.6
217.14333	0.8
232.08586	1.7
260.02332	90.9
260.08121	2.4
260.13177	2.2
261.02621	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	261.0408
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
51.63577	0.8
57.03442	2.0
59.01378	12.5
64.99419	1.0
65.67370	1.0
69.03439	1.5
70.45976	1.3
71.01363	2.1
71.05019	1.5
71.62582	0.8
72.00905	8.0
73.02953	2.2
74.02461	19.8
81.03422	1.1
82.23902	0.9
83.05004	3.4
85.02938	4.1
85.06544	1.2
87.00861	3.2
87.04493	1.0
96.04553	7.5
97.02925	3.1
97.06631	1.4
98.02438	1.6
101.02404	1.8
101.06036	1.2
109.01704	1.6
109.06642	0.9
113.02456	1.0
113.03559	2.1
115.04015	1.7
115.07614	1.5
116.05055	48.5
117.05392	1.3
126.04352	7.0
129.01874	0.8
129.09224	0.9
130.06601	3.7
142.06604	12.7
145.08737	1.7
148.04384	2.7
155.11877	3.3
158.04550	2.0
159.09270	11.4
169.13434	2.9
173.04509	3.9
175.08839	1.6
181.12247	1.6
183.10182	0.9
186.05582	2.3
189.01689	1.1
200.07094	1.0
201.11255	1.2
203.08244	100.0
204.08591	3.5
213.12411	5.5
217.09818	3.4
219.12422	5.6
225.06413	8.0
243.12383	2.5
261.04095	54.7
261.08856	3.1
261.13046	29.0
262.04633	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	261.1342
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
53.08393	0.9
53.46187	0.9
57.03437	3.9
59.01378	7.3
70.95553	1.7
91.03989	1.3
96.04500	1.7
97.06596	10.2
103.01500	1.6
121.02948	1.7
123.08159	6.8
125.09720	100.0
126.10085	1.6
139.83421	1.1
143.10741	1.1
150.47348	1.0
169.08730	2.8
187.09752	85.1
188.10040	2.2
225.12453	2.0
261.13403	39.1
261.16309	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	261.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01689	0.3
69.03449	0.3
71.01373	0.5
71.42660	0.3
92.69650	0.3
96.04556	0.3
96.95972	0.2
97.02967	0.8
131.05342	0.6
201.11371	1.1
219.12465	1.5
233.08267	0.3
246.05362	0.4
261.07632	1.3
261.13406	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	262.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05144	0.5
57.03416	0.7
59.01374	4.0
69.03445	0.9
69.40357	1.2
69.40760	1.5
71.01340	0.4
72.00903	13.1
74.02484	0.6
75.00875	0.9
78.95891	1.4
85.02948	6.6
87.04495	1.3
91.05532	1.6
96.04537	14.3
96.96954	2.7
97.02922	0.9
98.02467	0.6
98.22650	1.0
99.00886	0.8
102.61526	0.4
103.05507	1.6
107.69758	0.5
112.04037	0.6
128.03459	0.8
129.01929	1.5
140.03465	0.5
141.01958	0.7
142.01427	3.2
147.04507	38.2
148.04832	0.9
151.69183	0.5
158.04543	2.9
164.07143	100.0
165.07481	2.2
202.03511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03437	3.0
59.01380	1.1
66.03467	0.9
68.01402	0.5
68.05051	1.0
69.03450	4.2
70.02978	4.4
71.01377	3.7
71.42304	0.6
72.00877	0.8
73.02949	0.8
78.03487	0.9
82.02972	1.8
83.01379	0.5
83.05015	0.7
85.02950	53.2
86.02496	1.2
86.03278	0.7
86.06120	1.2
87.04517	8.0
94.02979	1.5
96.00964	0.6
96.04552	100.0
97.02947	7.6
97.04893	1.2
98.02486	2.4
99.00874	5.3
99.04518	0.7
101.02464	0.7
108.04512	0.7
109.02930	0.9
111.00889	0.5
111.04501	1.9
112.04039	4.7
113.02431	0.8
114.01955	1.8
114.05602	1.5
115.03991	3.1
116.03545	0.8
122.02435	0.8
125.53335	0.5
126.05618	1.5
127.04076	0.6
128.03548	6.1
129.01939	12.0
135.02998	1.1
138.05606	1.3
139.04013	0.9
140.03545	4.0
141.01967	4.7
142.01456	16.4
144.03023	0.9
158.04585	21.5
159.02998	3.5
172.02501	2.8
174.07835	0.7
175.06242	0.6
186.23016	0.6
200.05649	1.2
202.03574	8.0
203.25284	0.6
219.05103	2.1
241.95020	0.6
262.05640	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	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67814	0.9
55.01883	1.2
57.03441	3.0
59.01371	4.2
69.03455	6.0
70.02976	5.7
71.01372	5.0
71.40404	1.1
72.00938	1.3
73.02937	2.1
74.96761	0.9
75.00832	0.9
82.02967	1.0
83.01357	0.9
85.02946	54.1
86.02467	1.2
87.00877	2.7
87.04517	7.9
87.92516	1.9
89.02412	1.6
92.54772	0.9
94.02970	2.0
96.00928	1.8
96.04550	100.0
97.02950	8.2
97.04901	1.4
98.02476	3.4
99.00861	5.1
100.01183	1.2
101.02435	1.5
103.92032	3.1
104.92831	1.6
109.02948	1.1
111.04530	2.9
112.04024	4.7
114.01948	1.4
114.05634	1.5
115.04012	5.1
126.05590	2.0
128.03519	5.8
129.01936	11.4
131.03539	1.2
138.05670	1.3
139.04025	1.3
140.03539	3.6
141.01974	5.3
142.00417	2.1
142.01448	22.2
145.96704	2.3
155.03519	1.1
158.04582	20.9
159.02991	3.7
161.96169	1.7
172.02486	3.1
181.01297	1.3
181.44540	1.1
188.05731	1.2
199.94121	1.8
200.05627	1.2
202.03517	7.4
219.05110	2.0
261.94263	1.0
262.05594	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	262.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.6
57.03448	3.3
59.01386	11.1
64.50141	1.7
66.03468	1.8
68.05051	6.7
69.03451	6.1
70.02975	6.8
71.01380	13.7
71.05015	2.8
72.00909	17.4
73.02943	21.7
74.02477	5.0
82.02982	3.8
83.01398	1.5
85.02948	52.8
85.06582	3.1
86.02493	1.9
87.00863	3.3
87.04512	12.6
88.04045	3.2
89.02460	2.0
93.03508	1.6
94.02989	13.8
95.05051	3.4
96.04553	92.7
96.08184	4.2
97.02953	8.0
97.06576	16.9
98.02476	3.9
99.00890	4.5
99.04530	1.6
101.02443	5.5
101.06075	2.9
102.03922	1.3
104.03541	2.4
105.73267	1.4
108.02156	7.8
110.06116	1.6
111.04528	7.3
111.05582	2.0
112.04052	7.5
113.02433	4.2
114.05650	2.0
115.00391	1.7
115.04048	3.2
122.06112	2.5
123.04497	7.5
124.07681	100.0
125.06107	3.0
126.05627	1.5
128.03557	6.0
129.01927	14.3
130.08777	9.4
138.05571	1.4
140.03542	2.8
140.07156	7.2
141.01979	3.6
141.05566	6.5
142.01456	19.1
142.08730	22.9
147.82190	1.5
151.02998	1.5
158.04601	17.4
159.02985	2.2
160.58931	1.5
161.04533	1.6
161.80766	1.6
168.06662	52.6
186.07726	2.3
199.06125	7.3
200.09296	2.3
201.57373	1.6
202.00391	5.0
202.03525	7.4
211.79456	1.7
212.05635	53.1
213.06082	1.7
218.04898	1.6
219.04970	2.2
228.07068	2.4
230.06667	50.8
244.08243	35.8
245.08682	1.9
262.05762	5.9
262.08942	2.2
262.18143	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60073	0.5
59.01377	100.0
60.01709	0.6
69.17863	2.7
73.02951	1.6
90.99905	0.4
117.78355	0.4
118.17255	0.4
263.16870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40424	0.4
59.01377	100.0
60.01723	0.8
66.07920	0.3
68.92698	0.3
69.47961	1.2
73.02958	1.4
94.71464	0.3
98.22541	0.7
101.02440	0.4
180.10188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82929	0.6
58.71635	0.6
59.01378	100.0
59.78681	0.6
60.01720	1.2
62.22645	0.7
70.71297	0.7
71.01382	0.9
73.02947	1.5
79.60684	0.7
101.02446	0.7
121.02988	3.5
147.06775	0.8
151.87288	0.6
162.03284	0.8
163.04073	1.7
177.05521	1.3
192.07991	3.0
218.08752	0.7
248.10516	5.5
263.12921	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
70.44166	1.1
73.02943	1.6
86.97771	0.7
116.03638	0.8
129.09650	0.7
221.38707	0.8
233.05052	0.7
238.93358	0.7
264.06708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
51.45051	1.3
53.54007	1.2
53.95868	1.0
57.03445	2.9
59.01374	6.6
65.79076	1.3
69.23538	8.0
71.01386	9.2
73.02916	3.7
83.05020	3.3
85.02957	2.2
93.03497	1.3
95.05005	3.8
97.02950	14.1
97.06596	1.5
98.21783	1.2
105.07104	5.1
107.05035	3.9
108.05827	9.2
109.02943	6.8
109.06631	3.5
111.04520	14.5
111.08138	2.6
113.06079	11.2
119.08655	6.9
121.06600	5.7
122.03735	15.7
123.08177	11.2
125.06084	26.0
126.06339	1.5
135.08180	4.1
136.05310	18.3
137.06091	10.6
137.09596	1.4
138.06860	23.2
139.07655	46.9
143.08673	1.3
147.06702	1.7
148.05249	9.4
149.06064	5.4
151.07648	81.3
152.04799	8.7
152.08427	35.3
153.09206	19.0
156.46533	1.3
159.11774	3.8
161.09727	7.4
163.07645	17.6
164.08311	2.0
167.07150	5.4
170.05907	3.2
185.09772	2.2
186.10515	3.0
188.08476	2.9
189.09171	8.6
201.12828	32.7
203.10768	26.1
204.11542	68.7
205.11975	1.9
211.20685	1.3
219.13885	100.0
220.14203	5.3
235.13338	1.5
248.10524	3.7
263.12808	13.8
263.16595	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1498
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	12.3
57.03444	5.6
58.00583	1.4
59.01377	85.9
69.03436	1.9
69.24367	5.6
69.24733	1.7
71.01377	74.1
72.99308	2.4
73.02943	42.6
75.00876	1.3
83.01382	23.4
85.02947	45.4
86.00091	3.2
87.00881	4.1
89.02431	6.0
95.01385	5.2
97.02973	2.3
99.00877	14.8
99.08147	2.8
101.02438	100.0
101.09683	2.3
102.02834	1.0
111.00887	3.8
113.02444	36.9
125.02456	2.4
129.01930	2.7
132.11536	0.9
143.03479	3.3
159.03014	6.6
161.04552	24.0
171.10310	1.4
176.10820	8.1
209.11813	1.4
220.09819	1.0
263.14975	28.6
263.64380	1.0
264.15570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.52185	0.5
59.01385	3.0
61.98816	1.6
69.20055	0.5
69.51715	0.5
71.01366	0.7
71.43406	0.5
76.39810	0.5
80.69128	0.4
100.23468	0.5
113.12045	0.5
122.52062	0.5
134.89462	1.7
136.89149	1.4
162.39674	0.5
169.31587	0.5
219.21123	0.7
261.18637	0.7
263.20154	100.0
264.20389	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	264.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.38758	28.4
71.01373	22.0
73.02950	85.7
73.51443	6.4
74.91091	7.2
83.01374	15.6
83.62568	6.5
98.21852	11.7
101.02428	48.5
113.02412	12.2
131.03459	6.1
149.80046	6.4
161.04596	8.4
226.95335	6.6
265.12256	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	264.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44175	1.0
54.76952	1.0
57.16877	1.0
57.96393	1.0
59.01377	100.0
60.00924	1.0
71.01385	14.4
73.02945	23.5
78.57676	1.1
80.51308	1.2
83.01383	4.4
85.02980	1.3
89.02478	1.6
101.02442	15.1
103.28820	1.2
105.07082	3.0
111.39291	1.1
113.02423	3.0
115.00356	2.4
119.18536	1.1
129.46896	1.2
131.03529	1.2
145.83875	1.1
149.06075	25.2
161.04529	2.8
169.46501	1.0
228.76720	1.3
265.10654	1.2
265.50201	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	264.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12152	24.7
52.34933	22.5
56.78691	23.2
59.01366	98.5
69.75468	94.6
71.01377	67.2
75.02256	24.2
98.22504	37.6
99.99123	28.4
101.02419	100.0
109.69300	27.6
113.02470	50.9
118.55997	25.0
120.01982	23.6
164.07101	51.5
189.59224	28.5
265.12619	56.1
279.62665	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1192
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
57.61845	0.8
59.01377	7.1
71.01369	3.0
72.00925	4.3
73.04067	100.0
74.04445	0.9
83.54006	0.8
85.02972	0.9
89.02460	2.0
91.05531	5.8
96.96030	1.6
101.02448	2.2
116.07185	1.9
117.59859	0.8
119.03548	1.2
134.04730	1.1
134.15074	0.9
147.04529	26.6
164.07164	48.2
177.10374	3.3
204.96915	1.6
221.09303	87.2
222.09659	2.3
229.15575	5.7
247.11131	2.4
265.12015	58.4
266.12302	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	265.1442
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.76176	0.2
52.21638	0.2
59.01375	0.6
71.40527	0.3
95.01373	1.0
96.02166	6.5
96.95370	0.4
96.96004	7.5
108.57386	0.2
111.00870	0.8
120.58183	0.2
123.00888	2.2
124.01658	11.4
136.77417	0.2
138.03281	0.3
151.00362	0.6
152.01143	10.6
153.01851	0.4
165.01888	1.3
166.02699	2.8
167.14314	0.3
179.03554	0.2
181.66606	0.2
184.00099	0.9
193.15991	0.4
237.14932	6.7
238.15288	0.3
265.14444	100.0
266.14777	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70127	0.4
56.00375	0.3
57.92741	0.4
58.33901	0.4
59.01377	0.6
69.17118	1.0
69.17523	1.4
74.03181	0.4
76.43940	0.4
79.95747	1.8
82.31995	0.4
95.95243	0.5
96.02148	0.4
96.96009	100.0
98.05685	0.5
102.54715	0.4
123.00863	0.4
124.01660	1.2
124.75899	0.4
127.75371	0.5
131.32321	0.5
139.51254	0.5
146.86563	0.4
152.01157	1.6
158.93788	0.4
166.02557	0.5
184.01001	0.9
205.28212	0.4
235.72995	0.4
237.14957	1.0
247.11258	1.0
265.12390	4.2
265.14734	90.3
266.14957	3.0
277.32925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15377	0.3
56.84420	0.3
79.95707	1.8
84.74086	0.4
95.56561	0.3
95.95255	0.5
96.96012	96.7
99.19759	0.3
152.01186	0.5
155.66859	0.3
158.52017	0.3
177.01958	0.3
177.13445	0.3
237.15044	0.3
243.46780	0.3
265.14774	100.0
266.15118	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.63312	0.4
59.01377	6.3
68.38688	0.4
69.03449	1.4
83.05009	0.6
95.05028	0.6
96.95966	1.2
97.06573	0.9
111.08136	0.5
149.09711	2.9
149.13339	0.9
151.11269	1.7
163.07629	0.5
167.10767	38.1
168.11159	0.8
169.12421	0.5
177.09265	1.2
184.00957	1.6
195.10265	9.0
203.18028	2.8
228.09967	1.9
247.11385	0.6
247.17009	14.4
248.17313	0.9
265.12457	4.3
265.18076	100.0
266.18436	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2173
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
51.63053	0.2
53.74207	0.3
59.01362	1.0
70.93465	0.3
85.71540	0.3
93.85226	0.3
96.02185	0.5
96.96005	5.2
97.06596	0.3
97.75388	0.3
98.21864	0.7
106.82951	0.3
107.79243	0.3
109.20564	0.2
111.75261	0.3
114.38618	0.3
115.99078	0.3
124.01670	0.8
133.59052	0.3
152.01122	0.5
170.45401	0.3
237.15044	0.4
247.20651	0.8
265.14600	11.2
265.21713	100.0
266.14767	0.7
266.22025	4.8
271.08395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0894
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.96318	0.1
59.01367	0.1
70.77236	0.1
79.26309	0.1
87.90250	0.1
92.02539	1.3
96.95977	0.1
107.03643	4.6
134.04730	100.0
135.05168	1.2
148.06248	0.1
151.02626	0.1
184.00983	0.2
199.69481	0.1
203.76248	0.1
255.59433	0.1
266.08936	6.1
267.09061	0.2
275.69424	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	267.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
59.01373	1.7
59.34922	0.6
67.01892	1.7
68.99278	0.6
69.03444	2.9
69.24369	3.6
71.01376	9.2
75.56456	0.6
79.01894	4.0
81.03458	31.2
81.03944	1.5
87.00883	0.7
93.77975	0.7
95.01395	6.6
97.02933	2.0
107.01389	53.0
107.05017	2.2
113.02451	0.9
115.00367	2.6
123.00888	12.3
125.02443	29.5
135.04532	1.5
139.98637	0.6
151.00366	100.0
152.00696	1.8
166.96188	0.7
213.04507	0.8
237.16495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
59.28367	0.3
66.63654	0.3
66.77917	0.3
69.18185	1.3
69.18591	0.6
71.01381	25.4
87.00877	0.4
89.36812	0.3
92.02672	0.7
93.03457	3.9
107.05032	0.8
109.02965	0.8
111.03808	0.3
115.00378	11.2
136.01654	0.4
151.04005	100.0
152.04373	2.6
168.58897	0.3
219.24005	0.5
267.06738	1.3
267.12411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.1
71.24673	0.8
87.00877	1.1
93.03449	4.8
115.00379	10.2
151.04005	100.0
152.04355	2.2
178.32652	0.6
216.72968	0.7
252.07892	0.7
282.21591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47319	0.8
59.01371	3.1
71.01380	43.5
76.33917	0.6
83.75917	0.6
85.02943	2.0
87.00899	1.3
88.14158	0.7
93.03455	6.7
105.03450	0.8
107.04987	1.5
113.02445	2.6
113.52814	0.8
115.00375	23.5
121.02951	1.8
135.04492	1.0
150.94733	0.7
151.04005	100.0
152.04343	2.7
209.04591	0.9
227.12933	1.1
267.07315	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	267.0664
Annotation	Cirrhopetalin
Peak:m/z	Relative Intensity
59.01376	0.6
62.13745	0.3
72.87489	0.3
77.12693	0.3
111.00871	0.3
113.91875	0.3
156.05838	3.6
156.16452	0.3
159.04529	2.7
180.05809	14.6
181.06245	0.3
183.04504	3.3
183.08113	0.3
184.05147	0.6
196.05280	4.1
197.09839	0.4
207.08263	0.5
209.02444	0.4
209.06111	0.9
210.06877	2.5
211.04131	0.5
223.07639	3.5
224.02530	0.6
224.04803	18.3
224.08234	3.6
225.09207	100.0
237.01927	43.6
238.02260	1.4
238.06288	0.7
239.07153	0.5
251.03479	2.4
251.07309	0.3
252.04286	6.5
252.07904	5.5
253.08693	65.4
267.06635	59.7
267.10104	5.3
267.12695	0.3
268.07037	2.4
268.11032	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0724
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01872	1.0
57.03445	3.7
59.01377	25.5
60.01708	0.3
67.01890	0.3
68.88509	0.2
68.99818	0.6
69.03434	0.8
69.61091	1.0
71.01379	31.0
72.99307	3.3
73.02944	1.1
75.00870	13.1
81.05482	0.3
83.01371	0.6
84.02178	0.5
85.02948	28.4
87.00873	13.9
89.02443	9.1
91.03999	1.0
93.95351	0.3
95.01382	5.0
96.95992	0.9
98.21914	0.3
98.71635	0.2
99.00879	8.1
101.02445	1.7
103.00374	3.0
111.00928	0.4
112.01662	0.9
113.02448	37.8
114.02878	0.3
115.00366	1.4
117.01933	2.6
119.03488	0.6
122.63171	0.2
129.01930	2.1
130.88911	0.6
131.03479	0.8
132.88605	0.5
146.86685	1.2
148.86356	0.5
149.04494	0.3
154.90565	1.4
156.90289	0.6
157.01393	0.7
169.01649	0.4
170.88419	0.3
175.02475	1.8
178.93365	0.3
187.57890	0.3
205.07144	0.8
207.05099	1.7
249.06125	4.0
251.68181	0.3
266.80383	1.2
267.07190	100.0
268.07495	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	267.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75993	0.6
55.01876	2.8
57.03199	0.6
57.03451	2.9
58.00581	0.6
58.98433	0.7
59.01378	100.0
60.01704	0.7
61.98826	1.1
69.03437	0.6
69.31430	2.2
70.04458	0.6
71.01379	37.5
73.02948	9.9
79.97498	0.7
83.01385	4.3
85.02948	15.8
87.00880	3.1
87.04514	0.9
89.02445	18.7
95.01411	2.6
98.21904	1.5
99.00882	2.9
101.02441	34.1
105.05556	4.9
113.02447	16.0
119.03503	7.0
122.12404	0.7
125.02435	0.6
131.03525	1.2
143.03526	2.4
152.91908	0.8
159.03026	3.7
161.03210	1.5
161.04549	20.9
161.05841	1.2
179.05698	1.4
207.08844	1.4
230.92453	0.7
267.10855	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	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03431	3.4
59.01377	100.0
69.22344	4.0
71.05009	2.6
73.02959	1.1
83.05028	1.2
87.00866	2.4
96.96012	1.9
112.23841	0.8
137.02507	1.1
161.09735	0.9
161.13306	3.3
162.07964	0.7
163.11279	1.4
187.11293	1.0
205.12276	0.9
207.10248	3.3
223.13396	54.7
224.13751	1.6
267.06665	2.0
267.09772	1.0
267.12405	6.1
267.15942	3.1
273.99091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.70611	1.1
57.03443	2.3
59.01378	100.0
59.22676	1.1
71.05025	1.8
71.41664	1.3
73.42085	1.1
79.95728	3.1
83.05019	1.3
87.00892	2.7
113.17305	1.0
128.52669	1.2
132.50844	1.1
161.13347	2.9
195.13918	4.1
207.10257	3.3
223.13393	50.4
224.13699	1.4
236.09492	3.8
267.12457	7.0
268.06802	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	267.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
59.01377	100.0
60.01711	1.4
61.01819	0.4
71.05025	1.6
73.02951	1.1
83.05046	1.0
87.00858	2.0
96.96003	2.5
101.02473	0.6
135.11823	0.4
161.09804	0.5
161.13377	2.4
163.11266	1.9
187.11324	0.7
205.12363	0.9
207.10240	2.9
223.13388	43.1
224.13760	2.2
267.06503	0.4
267.12399	4.9
267.15341	0.5
267.16272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.70372	1.1
54.98969	1.2
57.03440	2.6
59.01380	100.0
61.98818	1.0
71.05016	2.0
71.41499	1.2
79.95741	3.7
80.96540	1.3
87.00893	2.0
88.62960	1.2
136.73001	1.1
161.13353	3.1
195.13896	2.0
207.10258	2.2
209.46104	1.3
223.13408	45.5
236.09602	2.0
267.12439	5.3
267.15851	1.7
268.06860	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	267.1963
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
54.37530	0.3
57.03438	0.4
59.01370	0.7
61.98817	0.5
66.94638	0.3
67.38543	0.3
85.39787	0.3
96.96017	0.8
97.87328	0.3
98.95602	0.7
104.40807	0.3
109.06583	1.3
111.08177	0.4
116.92870	0.4
124.33730	0.3
139.11269	3.2
155.14400	0.8
165.12831	1.3
195.17546	0.5
209.04546	0.6
223.20654	1.1
249.18469	0.5
249.31081	0.3
267.19638	100.0
268.19986	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	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
59.01372	11.8
61.98846	1.3
69.56136	4.4
83.04977	1.4
93.85619	1.2
113.09738	2.0
131.25940	1.5
134.11073	1.2
149.09755	3.8
167.10771	36.6
168.11096	1.9
179.65306	1.3
186.13257	1.2
195.17558	2.8
203.07434	1.3
232.06027	1.2
249.18607	27.8
250.19016	1.3
255.01480	1.2
267.19638	100.0
268.19937	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	267.1965
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
50.62067	0.6
54.55856	0.6
59.01368	2.0
62.29152	0.5
66.26166	0.7
77.16447	0.8
83.05009	0.7
98.21811	1.5
99.08168	2.0
121.02879	0.6
124.84435	0.6
165.12854	2.4
223.20671	0.9
267.19647	100.0
268.19949	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	268.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50594	0.4
69.25539	1.7
70.53717	0.4
75.23129	0.4
85.87254	0.4
86.57871	0.4
109.47583	0.3
117.98063	0.4
183.08141	0.5
209.06111	0.9
210.06842	2.6
223.07587	2.2
223.80223	0.4
224.08469	1.6
225.09201	100.0
226.09537	4.3
238.02357	0.9
240.07666	0.4
253.08685	65.5
254.09413	17.0
268.11029	57.6
269.11768	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	268.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12410	20.4
63.67939	22.4
63.96252	32.1
68.29620	22.2
72.76630	21.5
72.99271	33.4
74.99097	21.7
83.60242	20.1
120.01271	33.9
122.13382	22.1
135.98361	100.0
136.99088	30.3
151.00351	39.1
152.00764	43.3
192.59319	23.1
269.21085	42.7
270.02774	21.9
276.55731	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	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.22149	0.4
61.52790	0.4
63.02387	1.0
63.82112	0.5
65.00317	3.5
70.80952	0.7
83.01380	1.4
105.03451	1.0
107.01382	6.1
117.03464	21.5
121.02954	0.9
127.14678	0.4
149.02434	8.6
151.00362	10.3
152.01117	1.0
155.07138	1.2
159.04503	1.6
170.88618	0.4
180.05812	0.5
181.06563	1.2
183.04477	1.4
185.02451	0.4
186.95590	0.9
197.06044	0.5
201.05589	1.6
225.05534	3.4
225.14932	3.2
226.56464	0.4
227.03438	1.3
269.04526	100.0
269.13916	1.8
269.21185	1.7
269.24850	0.8
270.04861	3.7
280.59155	0.4
286.37836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
66.60382	0.2
69.67379	0.9
118.50945	0.3
156.05820	0.3
157.06578	0.5
159.08176	0.3
161.54475	0.3
165.79131	0.2
167.04910	0.3
181.06589	15.6
182.07346	3.1
186.95648	0.3
197.06070	0.3
198.06871	0.4
209.06075	0.5
211.04076	0.6
211.07597	0.3
224.04907	0.4
225.05576	37.2
226.06345	40.7
227.06682	1.7
237.05580	0.4
239.03494	50.5
240.03815	2.0
240.07767	1.3
241.08672	1.8
251.16605	0.3
253.05090	6.4
254.05824	10.6
255.06195	0.4
267.06619	0.4
268.07315	0.3
269.08188	100.0
270.08551	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Benzyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	11.8
57.03445	6.4
59.01378	70.9
65.07609	1.0
69.03429	1.2
71.01379	100.0
71.07713	1.0
71.42677	1.0
72.99314	2.7
73.02947	43.1
75.00865	2.7
75.98692	1.0
78.47015	1.0
83.01385	19.7
85.02950	54.9
86.00099	1.3
87.00885	4.2
89.02457	6.4
95.01380	7.9
95.37994	1.0
96.95967	1.2
97.02933	3.3
97.89849	1.0
99.00893	14.6
101.02442	91.9
102.02735	1.6
107.05035	3.3
113.02449	43.6
119.50685	1.0
125.02421	2.3
129.01917	2.2
143.03484	4.7
159.02994	10.3
161.04556	37.8
180.15421	0.9
180.71500	0.9
235.87125	1.0
250.59386	1.1
269.10294	10.4
269.21207	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	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65583	1.0
55.01881	11.9
57.03448	5.6
59.01377	65.1
59.64732	1.1
68.02998	1.0
68.35365	1.0
69.12422	1.7
69.12821	6.0
71.01381	100.0
72.99309	1.4
73.02947	38.5
73.03361	1.9
75.00854	1.3
83.01383	20.6
84.02165	1.8
85.02945	56.0
86.00093	1.6
86.27514	1.2
87.00860	5.9
89.02439	5.2
95.01394	7.8
96.96001	1.7
97.02956	2.4
99.00874	13.4
101.02441	83.9
107.04993	1.8
113.02440	39.3
114.02721	1.5
125.02412	2.8
126.38340	1.2
129.01906	1.8
143.03532	3.0
149.06065	1.2
159.02972	9.3
161.04561	34.8
166.74388	1.3
269.10342	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	269.118
Annotation	3,5,4'-Trimethoxy-trans-stilbene
Peak:m/z	Relative Intensity
59.01403	0.7
69.82849	1.0
69.83202	1.9
92.91396	0.7
132.98308	0.9
148.01665	0.9
152.01230	2.4
165.00191	1.9
186.95598	1.5
197.06096	1.5
209.09647	1.5
210.10449	5.2
211.07713	2.2
225.09238	1.5
226.09860	1.0
239.07117	2.2
253.08704	8.2
254.09480	100.0
255.09785	4.4
269.04779	4.6
269.08344	3.6
269.11804	63.0
269.21170	3.0
269.24692	0.8
270.12125	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	269.1184
Annotation	9,10-Dihydro-3,4,7-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
69.33301	0.9
70.93036	0.2
79.05854	0.2
93.79903	0.2
97.20206	0.2
98.22582	0.2
109.04285	0.2
145.80519	0.2
189.73932	0.2
209.06096	0.2
209.09793	0.4
210.06931	0.2
210.10454	0.6
211.07576	0.4
212.08464	0.2
224.07970	0.3
225.09219	2.0
226.06215	0.5
226.09599	5.9
238.06409	0.3
239.07071	0.3
241.08588	0.2
253.08699	15.7
254.09462	87.9
255.09802	4.0
258.76154	0.2
269.11804	100.0
270.12146	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1182
Annotation	Conferol B
Peak:m/z	Relative Intensity
57.83699	0.1
62.96404	0.5
69.34634	0.5
84.00829	0.1
88.15584	0.1
89.02016	0.1
104.53255	0.1
174.06834	0.1
176.93773	0.1
178.85823	0.1
197.15161	0.1
198.06721	0.1
209.09741	1.3
210.10487	5.6
211.07623	3.0
211.10800	0.3
212.08173	0.2
225.09195	1.6
226.06206	0.2
226.09549	1.9
238.06473	0.2
239.07133	2.7
240.07500	0.2
252.07904	0.1
253.08691	5.0
254.09462	100.0
255.09811	5.0
255.12532	0.2
269.11798	49.3
270.12100	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	269.1184
Annotation	3,5,4'-Trimethoxy-trans-stilbene
Peak:m/z	Relative Intensity
59.01395	0.5
63.32843	0.5
64.34724	0.5
69.35533	2.6
75.02315	0.5
126.90577	0.7
132.98218	0.6
148.05339	0.9
152.01164	3.6
152.91858	0.5
186.95653	2.3
210.10510	4.4
211.07614	1.6
217.02876	0.5
225.05574	1.0
225.09157	2.3
226.06482	0.6
226.09647	3.4
227.53294	0.7
239.07071	2.1
249.02753	0.5
253.08675	6.5
254.09464	100.0
255.09863	5.0
269.08252	8.3
269.11789	59.7
269.21213	2.1
270.12167	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1183
Annotation	3,5,4'-Trimethoxy-trans-stilbene
Peak:m/z	Relative Intensity
59.01357	0.5
64.12636	0.4
69.76450	1.0
70.63357	0.3
74.46440	0.3
86.50599	0.3
88.76575	0.3
91.05529	0.8
98.22000	0.6
99.19578	0.4
119.05022	7.0
138.06053	0.3
139.03978	0.7
149.06075	1.6
150.06866	8.2
152.01120	0.9
164.87167	0.4
177.05502	0.8
177.73019	0.4
178.06355	13.1
185.30446	0.4
186.85466	0.3
186.95599	0.7
193.03462	0.4
193.05067	1.9
197.09756	4.0
204.27110	0.4
210.05258	1.7
223.11226	1.3
226.09714	0.4
239.10881	0.3
241.12334	11.4
242.12672	0.5
242.28261	0.4
251.20146	1.6
254.09470	3.7
264.77811	0.4
267.10260	5.1
269.11813	100.0
269.21198	12.6
270.12128	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1295
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.28671	0.4
55.99416	0.3
59.01358	0.5
67.42821	0.4
70.30308	0.5
70.30612	0.3
86.73145	0.3
87.91768	0.3
88.60254	0.4
92.05042	0.4
94.02977	0.4
94.08646	0.3
96.77538	0.3
119.04811	0.4
120.04565	2.7
134.06075	0.6
136.07726	0.8
145.52527	0.3
152.01143	3.3
186.95563	1.5
198.12933	0.5
211.08748	1.5
212.05901	0.4
212.09261	0.5
213.10315	0.6
225.06830	0.5
225.10336	3.3
226.10669	0.8
226.12434	1.6
236.09358	0.5
239.08307	2.9
240.09026	0.9
241.13486	4.1
251.11827	0.7
253.09769	2.9
254.10616	6.2
269.08167	5.1
269.12930	100.0
270.13312	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
69.49526	1.7
88.66034	0.5
98.21899	1.0
104.86346	0.5
107.04041	0.5
125.67574	0.5
148.05359	0.7
152.01115	1.0
173.35249	0.5
221.18948	1.0
223.20673	32.2
224.20984	1.5
251.20178	1.0
269.08133	2.1
269.21204	100.0
270.21576	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	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
69.96501	2.6
71.73899	0.9
76.10627	0.9
82.43903	1.0
86.16876	0.9
89.80252	1.0
98.22562	2.0
102.51791	1.0
122.33616	0.9
128.10292	1.1
128.20953	0.9
131.93277	1.1
152.01173	3.5
177.15764	1.0
189.16193	1.0
241.21664	3.0
269.08228	5.9
269.21216	100.0
270.21585	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	269.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.3
62.58767	0.3
69.28803	0.9
69.29209	0.4
69.72006	0.3
85.06587	1.5
90.97100	0.3
94.04054	0.2
103.41458	0.3
152.01160	1.0
166.45769	0.3
167.14400	0.3
174.16756	0.3
183.13876	6.7
184.14305	0.3
186.95572	1.0
192.97530	0.3
199.13336	0.5
233.19264	0.4
243.80257	0.3
251.20158	10.2
252.20506	0.3
254.09468	1.1
267.19647	1.2
269.08246	1.9
269.21201	100.0
270.21582	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	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01357	0.3
61.59903	0.2
65.45663	0.2
65.65188	0.2
69.08798	0.5
69.09219	0.9
70.27979	0.2
97.06577	0.5
97.87593	0.2
152.01196	1.0
167.10849	0.2
185.11827	2.0
186.95630	0.8
211.07568	0.8
223.20642	1.3
225.18402	0.2
226.06427	0.2
230.12827	0.2
233.19104	0.2
239.07120	1.3
251.20114	4.0
254.09438	2.5
267.19601	1.0
269.08179	1.7
269.11761	2.4
269.21201	100.0
270.21579	4.2
284.70874	0.2
290.53693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.06402	0.9
57.97545	2.1
59.01386	1.6
63.02399	9.7
65.00322	16.5
71.01373	1.6
71.11185	1.0
73.08776	1.0
83.01384	10.6
83.47498	0.9
93.03445	12.5
107.01389	24.5
108.02186	14.7
109.02997	1.7
119.05025	68.0
119.11868	0.8
143.05045	1.4
145.02946	1.7
146.98409	0.9
151.00366	61.6
152.00656	1.8
165.01903	4.1
169.01407	3.6
170.05466	1.0
177.01930	11.1
187.04074	2.1
209.04903	1.0
227.07072	1.3
260.22922	1.1
271.06110	100.0
272.06589	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
56.15622	0.8
59.01380	1.1
71.01361	1.6
93.03459	2.7
108.02168	15.3
109.02934	2.7
117.03445	1.7
133.03026	0.9
141.07095	1.9
143.05025	15.2
144.92006	0.9
157.06552	2.0
159.08125	2.9
162.85474	1.0
167.04996	3.1
169.06567	2.2
180.05804	3.9
181.06592	6.6
182.07372	1.7
183.04514	4.0
183.08057	4.5
185.06061	15.8
197.06041	4.6
205.56479	0.9
205.61729	0.9
208.05186	5.0
209.06046	15.7
211.03954	5.7
212.04712	2.9
224.04800	1.6
225.05548	13.4
227.07123	55.4
228.07410	1.8
252.04306	1.8
253.05038	100.0
254.05428	3.9
271.06088	83.3
272.06427	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	271.0641
Annotation	SU-5614
Peak:m/z	Relative Intensity
58.19566	0.7
59.01363	1.0
71.01365	1.0
84.93876	6.0
92.92735	0.8
94.92496	1.1
99.92578	33.8
100.92641	1.6
100.93340	9.1
108.02171	9.8
109.02977	1.2
115.92080	12.5
116.92857	100.0
117.92863	3.0
125.65451	0.9
150.88245	0.8
157.99568	0.7
171.13901	0.9
185.11800	1.2
192.10983	0.8
227.07481	1.9
259.06506	1.0
271.06418	50.4
271.22711	2.0
272.06665	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85307	0.3
55.01873	0.5
57.03440	0.5
59.01377	2.5
62.59789	0.3
69.03439	0.6
71.01378	7.8
71.40765	0.4
72.99315	0.5
73.02940	3.0
83.01370	0.7
85.02950	3.9
85.06585	0.4
87.00886	0.8
89.02438	0.5
93.03460	0.3
95.01380	0.8
99.00885	1.4
99.04503	0.7
101.02448	4.7
107.05029	0.5
108.02172	100.0
109.02983	13.5
113.02445	6.1
115.04020	0.7
121.02957	1.3
123.00869	0.5
123.04501	1.7
125.02492	0.6
129.20511	0.3
130.08740	5.0
132.98183	0.6
133.02959	1.0
134.03772	0.6
135.04541	0.5
139.11295	1.4
143.01981	0.9
143.03511	2.3
145.03584	1.5
151.04001	4.2
154.97435	0.3
156.99956	0.7
159.03004	1.2
160.97612	0.5
161.04553	6.2
163.03995	1.5
165.09235	1.1
171.01505	0.7
174.99254	1.9
175.02498	0.5
183.01469	0.3
183.10252	2.7
186.99217	0.5
199.01006	2.4
199.02696	0.4
210.99442	0.3
213.02612	0.3
214.98720	1.4
215.02330	0.7
222.12305	0.3
227.09264	0.9
230.08684	0.4
243.01904	0.7
270.90646	0.5
270.97949	0.3
271.01367	0.9
271.08282	1.6
272.09906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31060	0.9
55.01870	1.6
56.82204	1.0
57.03429	2.8
63.45096	0.9
67.01890	2.2
69.03448	4.4
73.02930	2.0
78.73960	0.8
83.05009	1.1
85.06579	12.9
87.04519	1.5
90.82763	1.0
95.05013	2.9
97.06583	11.4
98.16592	1.1
108.02163	4.2
109.02926	1.2
111.04449	1.1
115.25320	0.9
123.08182	2.1
137.09724	1.2
139.04010	1.3
139.11290	42.9
140.11603	1.3
162.62021	0.9
165.09204	23.5
166.09496	0.9
183.10251	100.0
184.10628	2.6
209.08224	4.6
227.09235	29.0
256.07486	1.6
271.08234	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	271.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
57.69187	0.4
59.01376	1.1
67.01878	0.5
69.03452	1.4
69.41698	1.3
71.01376	0.8
71.05031	1.9
73.02929	1.1
81.03484	0.6
83.05029	1.5
85.06597	0.7
95.04997	0.5
97.06591	1.4
99.04509	1.1
105.81045	0.5
108.02170	7.9
109.02952	100.0
109.06603	1.2
110.03259	1.1
111.04500	2.7
113.02388	0.6
115.04037	1.0
123.04527	0.8
123.08163	0.8
132.84976	0.5
137.09752	1.5
139.11292	3.2
147.08163	0.9
155.03516	0.9
159.02998	0.8
159.44640	0.5
165.09218	2.7
174.01694	1.7
183.10258	7.0
184.10587	0.6
209.08234	0.7
212.78688	0.5
227.09203	2.4
229.00391	0.6
248.34348	0.5
253.07088	1.1
271.08047	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	271.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55389	3.8
50.88713	4.3
58.02956	5.9
59.01351	4.9
64.99466	4.1
67.41901	4.1
69.29308	9.8
69.29713	16.9
71.01370	13.5
73.02939	5.3
74.02472	6.2
87.05648	5.2
93.07072	10.7
99.16693	4.2
101.02409	7.2
108.02158	100.0
109.02945	16.2
121.06563	5.7
125.06097	5.5
137.09776	4.2
139.11259	4.8
143.04590	11.4
161.04506	10.2
183.10371	6.3
217.57280	4.4
239.80190	5.1
266.08389	5.4
267.68701	4.6
271.06052	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	O-Methyl-1,2-dehydrocacalol
Peak:m/z	Relative Intensity
54.76219	0.8
69.46656	3.1
71.01379	0.9
71.46620	0.7
72.99287	0.9
87.84506	0.7
94.92536	0.8
98.08124	0.7
98.22576	1.5
106.04276	1.0
108.02177	9.6
109.02938	2.1
121.02946	1.8
122.03742	50.1
135.04483	1.2
137.06114	1.9
150.03233	38.3
151.03629	1.5
159.27753	0.8
161.03157	0.8
165.05612	1.1
211.07657	1.1
225.22298	0.9
243.10237	20.8
256.07394	3.2
271.09763	100.0
271.22794	23.3
272.10101	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	271.0975
Annotation	LY364947
Peak:m/z	Relative Intensity
50.55490	0.3
56.43835	0.4
69.46084	1.6
71.01351	0.4
92.15926	0.3
95.01402	0.4
108.02169	3.7
109.02962	0.8
121.02993	0.9
122.03718	0.6
123.04504	0.5
134.03748	0.6
149.02400	1.0
149.06013	0.6
150.03297	0.4
159.04515	2.3
169.06625	0.7
184.05292	1.4
185.06068	2.3
186.06796	1.7
187.07608	0.4
188.97128	0.4
194.07399	1.3
211.07654	1.2
212.08414	24.8
213.05565	4.4
213.08730	0.9
214.06282	1.5
218.05782	1.5
227.03461	0.8
227.07118	2.5
228.07880	1.1
238.06479	0.7
241.05115	1.6
243.06589	1.0
243.10445	0.5
255.06647	3.1
256.07382	6.0
271.09741	100.0
272.10117	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14531	0.5
50.96883	0.4
52.72539	0.5
53.44999	0.5
55.06781	0.5
59.01376	0.8
66.76147	0.5
82.57334	0.5
106.04245	2.3
107.05009	0.6
108.02174	7.3
109.02969	1.2
121.02942	7.6
122.03744	34.9
137.06137	1.3
149.02385	1.4
149.06067	1.2
150.03227	38.5
150.06862	13.4
151.03923	0.8
156.08540	0.5
165.05504	0.7
165.09222	2.3
195.11841	1.6
211.07825	0.7
227.06932	0.7
227.10786	0.8
228.07396	1.3
239.10722	2.5
240.11177	0.8
241.04958	2.6
243.10248	17.6
253.08987	0.5
255.06477	1.2
256.07031	6.0
257.13409	0.6
271.09744	100.0
271.13345	45.3
272.10089	4.5
272.13681	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	271.0975
Annotation	5,6-Dihydroxy-2,4-dimethoxy-9,10-dihydropenanthrene
Peak:m/z	Relative Intensity
55.04445	0.3
60.42971	0.3
71.03206	0.4
71.09119	0.3
130.78624	0.3
137.06085	0.6
162.06773	0.3
165.05527	1.1
168.45236	0.3
177.64203	0.3
195.04497	0.4
196.05205	0.4
197.06064	3.9
198.83379	0.3
199.04025	2.3
210.56544	0.4
212.04787	1.2
213.05571	14.3
214.05965	0.4
223.04001	4.8
223.64038	0.3
224.04718	2.6
225.05568	7.4
226.02702	7.7
240.04286	7.0
241.05061	100.0
242.05362	3.8
253.12494	0.5
255.06624	7.1
256.07407	55.2
257.07697	2.3
271.09756	84.9
272.10132	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38243	0.5
70.52055	0.5
71.01311	0.6
97.90195	0.6
100.50362	0.5
101.02402	0.7
108.02162	6.7
109.02930	1.1
118.09064	0.6
121.02920	1.2
122.03738	6.9
137.05991	0.7
149.35832	0.6
150.03210	6.9
150.36696	0.6
197.05994	2.1
199.03969	0.9
211.07530	0.7
212.04736	1.0
213.05577	5.9
226.02722	4.8
229.08737	1.1
240.04233	7.8
241.05043	48.0
242.05380	2.1
243.10133	2.6
255.06633	20.9
255.08997	0.5
256.07391	100.0
257.07678	4.0
271.09747	66.3
272.10101	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	271.0976
Annotation	LY364947
Peak:m/z	Relative Intensity
51.62602	0.2
63.02377	0.5
69.69921	0.8
71.01360	0.3
81.03445	0.3
83.04980	0.2
91.01891	2.8
93.03436	0.4
94.04267	0.5
98.21932	0.2
106.04237	1.2
108.02178	1.9
109.02946	0.5
115.04159	0.3
121.02956	5.1
122.03741	25.0
123.04075	0.4
135.04500	0.3
136.05345	0.2
137.02434	1.3
137.06084	0.7
138.03247	0.5
148.01711	0.3
150.03230	12.8
150.06859	3.1
151.03662	0.3
161.02495	0.4
163.04015	0.6
165.01950	2.6
165.05536	0.3
165.07047	0.4
165.09209	4.1
166.09575	0.3
167.08624	0.5
169.06625	0.4
184.05273	1.5
191.80710	0.2
193.06529	0.3
199.07692	0.9
201.09064	0.3
206.44557	0.2
209.06065	0.5
210.06828	0.5
211.07704	0.9
225.09109	0.5
227.07108	0.6
227.10770	0.5
237.05551	0.6
238.06390	1.9
239.07068	0.3
243.10252	4.4
244.10466	0.3
253.08658	0.4
255.06607	4.5
256.07230	0.6
256.10062	0.4
269.08188	5.5
270.08575	0.4
271.09753	100.0
271.13150	6.5
272.10117	5.3
287.09424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0976
Annotation	2-O-Methylisohemigossylic acid lactone
Peak:m/z	Relative Intensity
55.01875	0.6
57.03437	1.3
57.59740	0.3
59.01373	0.3
61.98829	0.4
65.00321	0.3
70.65684	0.3
70.96998	0.5
71.05016	3.6
77.03961	1.0
79.01883	3.7
91.05543	0.7
93.03448	1.0
95.05031	7.6
97.02951	3.0
107.05019	1.3
108.02171	3.9
109.02945	1.1
121.02960	3.0
122.03751	2.6
123.04523	1.1
129.07062	0.4
131.05019	1.1
134.03787	0.5
135.04526	1.2
136.05328	1.7
137.02425	0.4
137.06133	0.6
139.04013	13.4
141.07098	0.3
145.06509	0.4
147.08124	0.8
149.06075	1.1
150.03230	1.1
150.06854	1.8
151.04060	0.6
156.05786	2.0
161.04530	0.5
162.03233	0.9
165.01932	4.7
165.05547	1.8
165.09286	0.4
166.02658	0.4
167.08571	0.5
169.06612	2.5
170.07379	0.8
171.08127	1.4
172.05290	0.4
173.06044	3.6
177.18248	0.4
179.03476	0.6
180.04256	1.8
183.08174	0.5
185.09705	6.1
199.11301	0.4
209.09688	2.0
212.08441	0.9
225.09232	1.4
227.10776	25.0
228.11087	1.1
241.05139	0.6
243.10207	0.6
253.08691	5.5
256.11063	1.8
271.09769	100.0
271.13235	9.2
272.10153	4.4
272.13391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Angolensin
Peak:m/z	Relative Intensity
51.39312	1.1
58.59108	1.1
71.01356	1.6
93.03456	5.1
101.02444	1.4
106.04242	9.0
108.02171	17.0
109.02974	1.4
112.67458	1.1
121.02943	6.5
122.03742	46.8
123.00803	1.4
124.01651	2.8
130.47354	1.1
135.04474	1.3
137.02475	2.8
137.06082	65.1
138.03145	1.2
138.06354	1.5
139.04021	3.2
149.02455	4.9
150.03226	64.8
151.03981	3.5
163.03908	1.9
163.15350	1.1
165.05563	86.8
166.05792	1.7
169.06714	2.2
172.01640	1.2
206.85054	1.1
213.05588	2.6
221.06065	5.7
224.04793	2.4
227.07205	1.3
238.06313	2.0
239.07153	13.8
241.05092	9.3
243.10243	81.4
244.10583	2.5
255.06583	1.9
256.07394	14.3
271.09753	100.0
272.10098	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33378	0.4
67.01879	1.3
67.84356	0.4
71.01363	0.5
71.34952	0.3
95.01389	15.0
96.99323	1.1
106.04262	1.1
108.02179	5.0
109.02969	0.9
110.00062	0.6
111.00900	0.6
121.02960	0.5
122.03728	11.8
123.00891	3.1
133.02953	23.2
134.03329	0.6
137.06041	2.5
138.03233	1.8
139.00368	0.5
139.04010	0.6
147.49893	0.4
150.03197	2.3
165.05562	3.3
179.89738	0.4
181.41914	0.4
193.06615	0.5
195.04478	0.8
197.06084	1.0
208.05276	1.6
209.06097	0.6
211.04022	1.0
213.05566	5.1
223.07648	4.1
225.05586	8.4
226.02774	0.6
227.07152	0.6
228.07843	0.5
237.05576	1.8
238.06374	0.9
239.07124	1.5
240.04289	0.9
241.05003	5.0
243.10291	1.0
253.08698	7.9
255.06644	5.2
256.07397	14.9
257.07681	0.8
271.09747	100.0
272.10092	5.2
276.17938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
67.66696	0.7
70.44820	1.3
93.03471	1.0
95.18920	0.7
95.32875	0.9
98.22645	0.9
106.04239	39.0
108.02171	8.4
109.02932	1.3
118.20818	0.7
135.04536	1.3
138.03244	4.0
224.08502	0.8
241.08649	2.1
271.13373	100.0
271.22754	25.3
272.13745	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	271.134
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
70.71981	0.9
70.72307	0.9
91.05557	1.9
99.00135	0.7
108.02147	4.9
109.02995	0.7
122.03738	2.9
123.04546	1.7
137.06079	39.8
138.06323	0.9
139.14529	0.7
150.03217	2.2
151.03903	0.9
161.06065	1.0
162.06880	5.4
165.05568	100.0
166.06351	26.3
167.07069	2.1
180.07935	0.8
213.05554	1.3
215.10744	5.3
226.02812	0.7
227.10901	1.0
238.09964	6.3
241.05002	7.8
243.10287	1.7
253.12341	25.4
255.06825	0.9
256.07498	3.9
256.11044	99.6
257.11273	4.3
271.09845	11.3
271.13373	83.1
272.09818	0.8
272.13702	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	271.1339
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
59.01365	0.5
64.69955	0.4
68.57228	0.4
70.14731	0.9
70.15062	0.5
74.19161	0.6
93.03459	0.5
106.04243	42.9
107.04592	0.6
108.02165	5.4
109.02966	0.7
130.33699	0.5
135.04518	16.5
138.03218	4.1
149.02383	0.9
150.06860	4.9
161.04567	0.5
165.09200	6.9
170.74377	0.4
182.05817	1.6
209.08060	0.9
213.48062	0.4
224.08357	0.9
241.08727	3.7
243.45468	0.4
253.17888	0.5
270.21576	1.5
271.13382	100.0
271.22757	6.5
272.13702	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	271.134
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
59.01366	0.4
71.01405	0.6
72.75516	0.4
88.64287	0.4
89.89381	0.4
93.03443	1.1
106.04247	13.9
108.02186	6.7
109.02965	0.9
113.02413	0.5
115.53468	0.5
121.02989	0.4
122.03732	2.6
135.04521	1.5
136.05321	0.8
138.03235	0.5
149.06056	2.9
150.03217	1.6
150.06871	42.3
151.03992	0.6
151.07230	0.8
153.01735	0.4
163.04077	0.6
164.04779	2.1
165.09207	55.0
166.09550	1.7
184.05313	0.6
216.02982	0.5
227.03468	2.3
227.10777	1.6
228.04260	7.2
229.48573	0.5
241.04993	0.7
241.08730	1.0
243.06641	6.0
243.10295	0.9
253.08670	0.9
256.07474	0.7
256.10953	0.5
270.83063	0.6
271.06067	4.4
271.09860	9.8
271.13379	100.0
272.09454	0.6
272.13736	4.3
290.42065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.84173	0.6
70.72628	1.2
87.84801	0.7
138.73659	0.5
146.60988	0.6
151.01765	0.6
197.19116	1.0
221.19044	0.9
223.20676	5.8
225.22234	88.0
226.22591	4.6
252.94131	0.8
253.21698	2.3
271.22784	100.0
272.23160	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	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98802	1.1
69.63149	2.9
83.23747	0.9
93.31530	1.1
95.00787	0.9
108.02160	13.2
109.02943	1.5
121.18860	1.1
122.03723	2.4
125.21103	1.0
150.03220	1.6
158.74115	1.1
161.04541	1.3
165.05534	1.6
180.68086	1.0
189.08879	1.1
211.20586	1.1
225.52086	1.1
271.09741	6.8
271.22769	100.0
272.10098	1.1
272.23166	5.0
284.61862	1.2
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
53.04549	0.5
57.03413	0.5
59.01377	0.5
67.47688	0.4
69.29140	0.8
69.29536	2.0
74.05265	0.5
99.16795	0.5
101.99453	0.5
108.02173	5.0
109.03001	0.7
122.03731	1.4
134.77081	0.5
136.22530	0.4
150.03241	0.8
162.14037	0.4
212.21750	0.4
225.22177	3.1
253.21635	1.3
269.21191	1.0
270.84839	0.6
271.09747	3.7
271.22775	100.0
272.23135	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	271.2278
Annotation	Jalapinolic acid
Peak:m/z	Relative Intensity
59.01377	100.0
61.98817	2.5
71.01365	1.8
71.17876	1.5
81.85593	1.3
87.00880	1.4
89.22906	1.2
92.92803	2.1
94.92506	3.5
108.02165	13.2
109.02993	2.0
147.57133	1.5
171.19633	1.5
201.08617	1.2
225.22334	2.0
271.22791	65.1
272.23141	3.2
289.80637	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	272.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14641	0.3
59.01378	12.2
69.03445	0.4
72.00910	0.6
84.04572	0.3
84.08197	0.4
85.02902	0.4
87.00883	2.3
96.88956	0.4
96.96018	1.4
96.96936	0.7
108.02155	1.8
109.02497	1.4
113.02437	0.5
117.00455	2.0
117.51884	0.3
128.03593	0.3
128.07176	1.3
130.08739	100.0
131.09125	2.0
157.01447	0.5
158.04584	0.9
167.03564	0.4
168.10353	0.4
168.99944	0.9
172.01015	0.6
175.28839	0.3
212.07787	0.6
228.07323	2.3
230.06555	0.6
230.08812	7.8
231.08920	0.6
234.97031	0.4
254.13899	0.7
255.05077	0.9
272.09903	49.8
272.14819	1.4
273.10117	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	273.038
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
57.03445	0.3
62.96409	0.2
65.57671	0.1
69.95967	0.4
70.02964	0.4
71.01370	0.2
72.00905	0.3
72.40221	0.1
73.02914	0.2
78.95895	78.8
79.57782	0.1
84.04522	0.2
85.02934	0.5
85.04089	0.1
87.00861	0.3
95.02490	0.2
96.04539	0.6
96.96024	1.6
96.96948	6.3
110.98519	58.5
111.05603	0.2
111.98863	0.2
114.01950	0.3
114.04487	0.1
114.05601	0.5
124.07667	0.6
125.02370	0.2
127.05146	0.2
128.03545	0.6
136.93964	0.1
137.25177	0.1
141.01845	0.1
142.08742	0.7
145.06200	0.4
158.04561	2.2
167.08278	0.3
175.02492	0.1
176.05638	1.2
211.07176	0.8
223.00124	0.4
238.08235	0.2
241.01155	17.3
242.01601	0.3
255.06187	2.4
256.37018	0.2
273.03769	100.0
274.04147	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	273.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01381	1.2
67.02908	0.8
69.03448	11.9
71.96325	0.8
77.66311	1.0
78.95899	2.6
79.05521	1.3
80.59634	0.8
81.03472	1.0
81.11788	0.9
85.02940	5.0
87.00873	100.0
88.52811	0.8
97.02943	9.5
97.06589	15.9
99.04515	2.8
105.07102	3.0
110.98531	1.8
111.00864	1.5
112.01667	4.0
113.02438	12.4
113.03661	1.0
114.05611	0.9
116.07193	0.9
121.06602	1.2
123.04511	20.4
123.08153	3.2
125.00952	3.8
126.98877	4.4
128.03505	2.1
137.19662	1.0
139.07622	1.9
141.05577	17.6
145.06229	1.1
149.06082	3.3
151.77672	0.8
157.01424	27.1
158.04582	3.5
167.03499	9.6
167.07141	2.9
168.99940	14.6
169.08607	1.0
175.02460	8.9
176.05693	1.7
193.05057	3.4
211.06033	1.2
227.05667	1.2
237.04138	2.1
252.48845	0.9
255.05104	53.0
256.05200	1.0
273.03687	1.9
273.06171	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	273.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85513	0.8
59.01380	2.5
60.86191	0.8
68.66598	0.8
69.03456	13.1
69.38713	4.1
71.01386	1.8
79.05540	1.3
80.55608	0.9
80.70686	0.9
81.03477	1.5
85.02955	4.1
86.09994	0.8
87.00877	100.0
95.58757	1.0
97.02961	8.2
97.06590	13.3
98.22708	1.1
99.04510	2.8
99.92538	0.8
105.07111	1.3
108.02206	1.7
111.00874	1.4
112.01675	4.0
113.02438	11.4
115.74725	1.0
121.02931	1.4
123.04536	23.1
123.08180	3.4
124.04892	1.3
125.09737	1.6
139.07732	1.2
141.05600	8.7
149.06052	1.9
151.07649	1.1
157.01427	22.2
159.78816	1.2
167.03488	10.6
167.07137	1.2
169.08784	1.5
173.79747	0.9
175.02469	8.8
185.01404	1.0
193.05064	5.5
205.14363	1.0
211.06058	1.2
213.07651	4.5
215.20842	1.0
231.08693	2.2
237.04103	2.2
255.05098	46.6
256.05573	1.3
273.03702	1.1
273.06204	6.3
273.09283	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	273.0767
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
51.28360	0.8
56.93053	0.8
57.03441	1.8
59.01366	1.8
65.03956	1.1
69.03450	4.3
71.42631	1.2
80.02685	1.5
81.03441	3.2
83.01378	5.3
84.88628	0.7
93.03459	15.9
94.03791	0.8
95.05024	8.9
97.02946	51.8
98.03783	1.2
99.04506	1.0
100.74657	0.7
106.04233	1.1
107.05023	5.3
108.02195	0.8
109.02968	5.0
111.04492	0.9
116.05026	0.7
119.05024	2.9
121.02993	1.8
122.03767	1.8
123.04522	9.1
125.02423	3.5
131.05119	1.1
133.02948	7.4
134.03749	5.0
135.04532	11.6
137.02437	28.9
138.03290	4.4
139.04012	8.6
143.05013	2.2
145.06586	2.1
147.04495	2.7
149.02469	1.3
149.06032	1.3
151.04002	2.1
161.06047	3.5
164.01091	1.8
165.02019	0.8
166.02740	5.4
167.03476	1.3
169.06506	1.3
171.04509	3.5
172.05272	1.4
179.03436	1.4
185.06096	1.7
186.06871	2.9
187.07648	14.1
189.05574	13.2
205.08687	14.2
206.09042	1.0
211.07626	2.5
213.05492	1.1
229.08681	15.0
231.06628	4.2
239.80777	0.8
255.06659	8.2
273.07666	100.0
273.13498	2.5
273.17108	3.0
274.07932	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	273.1133
Annotation	Vittarin A
Peak:m/z	Relative Intensity
67.97092	0.4
69.20395	2.0
81.03464	0.6
93.03448	5.3
95.05010	0.9
96.96006	0.4
121.02954	100.0
122.03321	1.4
127.69000	0.4
135.04501	1.5
136.05293	13.1
137.06097	6.9
160.05318	0.4
174.06848	1.4
175.07687	0.6
196.08936	1.3
197.09695	0.8
225.05479	0.7
229.12308	1.8
230.09459	1.5
240.07903	1.2
241.08900	0.5
243.06714	0.7
257.08197	1.9
258.03436	1.7
258.08963	68.5
259.09341	2.4
273.11316	42.8
274.11838	2.3
274.14539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50203	0.3
51.81404	0.3
55.41489	0.3
55.50957	0.3
67.01894	0.3
69.49008	0.9
71.71851	0.3
72.01125	0.3
79.95738	0.4
93.03452	8.3
95.49536	0.3
96.96007	1.3
107.05029	26.3
108.02166	1.5
108.05422	0.4
109.02955	0.6
118.74206	0.3
120.02192	1.1
121.02953	78.4
122.03778	13.0
125.02448	0.4
136.05292	9.0
149.02470	0.9
149.41342	0.3
151.04004	4.5
151.07637	6.2
153.01974	0.3
167.07179	0.7
195.06560	0.4
225.05617	0.6
255.10390	1.1
258.08951	5.0
271.09680	0.6
272.10397	0.4
273.11301	100.0
274.11658	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	273.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42217	0.6
55.61198	0.6
57.68693	0.6
59.01381	1.0
65.55622	0.6
73.83586	0.6
75.65848	0.6
93.03455	6.0
106.04273	1.0
107.05031	10.2
108.02204	0.8
109.02955	6.5
111.00887	2.9
111.04510	1.3
115.03973	1.0
119.05025	8.5
121.02969	2.0
121.06603	1.3
122.03780	0.9
122.36714	0.8
123.00885	2.8
123.04543	1.1
125.65350	0.6
126.33213	0.7
133.02937	0.8
134.03743	1.1
135.04524	96.0
136.01666	1.8
136.04849	2.7
137.02443	57.0
138.03258	6.1
139.03986	1.2
141.09268	1.0
147.04439	0.7
149.02386	1.2
149.06108	2.7
151.04004	5.2
151.07649	0.8
152.04784	10.6
153.05594	4.3
157.06607	0.7
161.02473	1.4
167.07130	2.9
173.02435	0.7
173.06067	1.5
174.03232	1.0
176.01183	2.5
189.01970	1.0
190.02718	3.2
199.07689	2.0
201.02000	4.2
201.05676	0.9
202.02682	1.6
215.03421	3.7
215.07133	1.3
216.04282	2.9
217.33478	0.7
223.07588	1.3
225.05640	3.9
229.05196	1.0
237.15056	0.9
239.07130	0.9
241.08688	49.1
242.09041	2.4
243.06606	71.0
244.07056	3.2
245.08160	16.3
254.24448	0.6
255.10268	6.4
258.08951	100.0
259.09296	3.7
273.07703	18.1
273.11313	18.6
274.08072	0.8
274.11246	0.8
279.65829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27779	0.2
69.14977	0.7
69.15379	0.3
106.04259	0.7
107.05029	100.0
108.05360	2.2
123.33011	0.2
224.04825	0.3
225.05574	1.7
239.07094	1.2
240.07857	0.6
240.72273	0.2
255.10248	4.5
271.09894	0.2
271.61307	0.2
273.11310	10.7
274.11700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1132
Annotation	3,4-Dihydroxy-3',5'-dimethoxybibenzyl
Peak:m/z	Relative Intensity
56.72739	0.7
60.99273	0.5
64.49141	0.6
66.90926	0.6
93.03448	3.1
106.04214	2.2
107.04997	2.1
109.02953	6.6
111.00881	3.4
115.41963	0.5
119.05041	3.2
123.00907	3.3
124.52686	0.5
133.02902	1.2
136.01653	2.8
137.02448	58.3
138.02815	1.1
139.00333	0.6
149.02425	1.0
151.00371	0.6
151.04022	3.7
152.04767	1.3
167.42941	0.6
173.06091	2.3
197.06081	0.8
199.07593	1.7
201.05540	1.1
215.07141	1.6
225.05486	2.6
241.08638	0.6
243.06612	99.3
244.06992	4.5
258.08960	100.0
259.09311	4.9
273.11322	68.7
274.11612	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	273.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.3
69.72475	0.2
69.72868	0.2
76.03268	0.1
85.36525	0.1
85.76010	0.1
93.03456	6.4
95.05018	0.3
106.12833	0.1
120.56287	0.1
121.02950	100.0
122.03253	2.0
136.05296	0.5
137.06071	1.0
151.03996	0.4
173.06041	0.2
175.07637	0.1
197.06053	0.3
199.07600	0.3
225.05594	0.4
243.06633	1.5
257.08148	0.5
258.08948	83.9
259.09286	3.7
273.11298	16.5
274.11676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59789	0.5
59.01390	0.8
62.07560	0.4
65.12708	0.4
65.82896	0.5
71.01363	0.5
72.67162	0.4
80.13365	0.6
81.03480	2.3
93.03472	6.9
97.02922	0.6
99.08183	0.5
121.02959	100.0
122.03194	1.1
123.00941	0.5
123.04527	4.8
135.04564	1.0
135.98965	0.5
136.05309	11.5
137.06110	4.4
151.03987	1.0
152.04843	0.8
160.24765	0.4
174.06868	0.8
175.07622	0.9
196.08946	2.8
229.08652	4.2
230.09448	1.5
243.06694	1.3
257.08081	2.3
258.08960	93.0
259.09253	3.6
273.07892	1.9
273.11316	56.2
273.17166	4.4
274.11621	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	273.1132
Annotation	Vittarin A
Peak:m/z	Relative Intensity
54.40423	0.4
58.38122	0.4
93.03457	7.0
96.96003	0.7
97.02979	0.4
106.04266	0.4
108.02185	0.6
121.02956	100.0
122.03290	1.8
135.04514	1.5
136.05296	13.3
137.06099	7.3
174.06874	1.2
175.07637	0.8
196.08966	1.5
197.06189	0.5
197.09686	0.7
210.09602	0.5
225.05504	0.5
229.12360	2.3
230.09476	1.0
240.07854	0.7
243.06641	0.6
257.08212	1.7
258.08957	71.2
259.09277	2.6
273.06024	1.4
273.11310	43.0
274.11667	1.7
283.90128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78374	0.9
66.43225	1.0
71.24429	0.9
71.68844	0.9
107.05025	100.0
108.05374	1.5
225.05655	1.5
235.22305	0.9
251.26306	1.0
255.10249	7.0
273.11298	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	273.1133
Annotation	CHEBI:70157
Peak:m/z	Relative Intensity
50.38696	0.4
50.86168	0.3
51.94619	0.3
59.01384	0.5
72.78114	0.3
75.75190	0.3
93.03438	0.3
94.61407	0.3
98.22604	0.9
101.72836	0.3
108.02158	1.0
121.02946	4.3
122.03736	56.7
123.00900	0.3
123.04076	1.0
124.01665	4.0
136.01654	8.9
136.05264	1.6
137.02357	0.4
137.06065	0.9
151.04021	1.1
151.07668	1.6
153.01892	0.3
153.26198	0.3
170.13411	0.3
181.95363	0.3
226.06297	0.6
233.13733	0.3
243.06648	0.9
258.08914	1.8
273.11304	100.0
274.11642	4.6
274.14383	0.5
282.56711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1131
Annotation	3,4-Dihydroxy-3',5'-dimethoxybibenzyl
Peak:m/z	Relative Intensity
57.30962	2.8
71.41682	3.8
78.73643	2.5
80.15322	2.7
92.05066	26.5
96.13147	2.5
107.05013	3.0
111.69090	3.1
121.02932	4.0
122.03754	23.9
123.00940	3.1
133.03023	2.9
136.01691	8.2
137.02428	32.6
152.04808	3.7
177.78604	2.6
218.60236	3.2
243.06625	81.4
243.10272	3.2
244.11061	18.1
258.09000	83.7
259.09219	4.2
273.11530	100.0
273.14862	16.9
274.11407	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	273.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34404	0.8
56.07509	1.2
59.01374	3.8
67.01883	3.0
69.13074	5.3
73.02951	1.4
80.96518	1.1
93.03397	1.4
95.05029	2.8
96.95998	1.1
98.22624	2.0
103.37976	0.9
107.05034	2.1
108.04574	1.6
109.06551	1.6
110.02480	1.6
111.04536	1.3
115.04002	3.8
120.04549	5.2
122.06110	11.1
123.03234	1.6
123.08201	1.1
124.03970	1.1
131.07108	3.2
133.01369	1.2
134.06125	25.1
135.04527	1.8
135.06445	1.1
136.04034	6.6
136.07697	9.1
137.07178	2.8
138.03165	1.1
138.05620	8.1
139.07672	1.0
141.01917	0.9
141.09227	2.7
150.05582	3.6
151.06375	1.7
152.07164	11.8
159.02995	2.4
159.04533	1.0
159.05669	8.2
160.04056	1.9
160.06412	1.5
161.04810	1.2
162.05579	1.3
162.09213	1.2
167.07092	8.3
173.04698	1.1
182.06134	2.1
185.06091	1.0
187.11241	2.0
196.07602	1.8
197.08533	2.3
200.07162	1.6
201.07831	7.5
212.10797	11.6
215.09512	8.2
225.06638	3.9
226.07405	5.3
227.11909	1.2
228.10191	1.6
229.08713	5.4
230.09561	2.3
230.11850	41.6
231.12155	1.4
239.08224	3.2
240.09032	9.6
245.04453	1.7
255.11375	100.0
256.11728	6.5
273.07547	4.0
273.12479	17.7
273.16919	5.4
294.85861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18061	0.5
57.03432	2.3
58.70789	0.5
59.01379	23.6
63.32035	0.5
69.34658	2.2
71.01385	6.9
71.05018	3.1
73.02940	1.4
81.03452	0.6
83.05019	1.9
84.02175	1.0
85.02991	0.6
87.04484	0.6
93.03468	0.6
97.02934	1.5
97.06579	1.0
99.04530	1.6
99.08156	6.8
101.06069	1.2
111.08126	1.3
112.99800	0.6
113.06097	0.5
115.04012	42.3
116.04317	0.5
121.10243	0.7
125.09708	0.6
127.11295	6.1
129.09248	1.0
129.31662	0.5
137.09729	3.2
139.11284	23.3
140.74446	0.5
155.07141	1.2
155.10826	3.0
156.98758	0.9
157.12369	3.3
167.03496	1.1
169.12358	1.3
175.14944	0.5
181.12305	1.2
183.13896	1.2
191.14285	0.9
193.04941	0.6
193.15967	1.6
194.79289	0.6
201.15018	0.8
237.15039	2.5
244.01468	0.5
255.12279	0.6
255.16084	2.0
273.17068	100.0
273.67874	0.6
274.17392	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	274.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.9
60.14936	0.7
70.06616	0.7
71.41097	0.8
80.96081	0.5
86.02499	1.0
87.75005	0.6
88.04033	1.1
107.13438	0.7
125.24066	0.6
130.08760	3.2
137.02446	0.7
155.10712	0.9
172.09810	1.9
174.95230	0.6
178.12360	1.0
196.13437	100.0
197.13760	2.7
240.12408	36.2
274.11154	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	275.2014
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
55.88153	0.2
59.01377	5.0
61.04834	0.2
70.16119	0.5
71.01379	0.7
79.34541	0.2
83.05031	0.6
96.96012	0.4
98.21918	0.3
99.92618	0.2
116.92867	1.1
132.90019	0.4
150.94824	0.5
163.07646	0.3
166.87094	0.2
177.16475	2.1
192.95836	2.9
197.15503	0.3
203.18040	0.4
214.89856	0.3
231.17500	0.6
231.21169	9.1
239.79956	0.4
257.19086	1.0
273.18628	0.3
275.20142	100.0
276.20505	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	276.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97443	53.6
71.05983	57.2
98.99588	51.3
104.13557	48.3
114.14191	49.1
114.89330	46.2
128.51169	44.6
131.92725	50.7
133.68262	50.7
152.91731	96.0
194.92757	100.0
218.74695	51.7
233.10481	83.2
247.13853	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87371	0.5
56.14431	0.5
78.95914	1.2
90.98105	0.9
92.95993	1.0
96.96017	4.2
96.96923	0.6
112.94147	0.7
114.92059	0.7
128.90071	2.0
130.88936	2.5
131.89003	1.2
132.88647	87.7
133.88715	11.3
134.88367	100.0
134.97057	48.7
135.88423	2.4
135.97183	1.7
136.94002	23.4
154.90602	5.6
154.93384	2.2
155.90714	1.3
156.90308	29.9
156.93022	4.5
157.90390	1.8
158.90012	7.1
176.98099	14.1
178.95023	2.1
191.94600	0.8
198.02547	1.4
216.89938	15.2
217.89688	0.7
232.87842	2.9
234.86853	4.5
234.90567	4.5
234.97136	0.8
238.96402	0.6
258.91824	2.3
276.83932	1.0
276.86780	16.6
276.89590	2.0
276.98196	28.7
277.86893	0.9
277.98300	5.1
294.85077	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	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	1.2
59.01379	100.0
59.72371	0.9
68.62147	1.0
69.44367	4.3
71.01388	4.9
73.02959	1.9
83.01390	1.6
85.02950	3.6
85.60349	0.8
87.00924	1.0
91.05566	0.9
99.00875	1.5
101.02431	5.0
113.02469	3.5
115.03980	1.3
129.10356	4.9
130.06705	2.3
144.04584	1.5
147.04568	1.3
159.02980	1.1
161.04604	3.2
164.07072	1.9
174.05592	3.9
180.34241	0.9
190.05092	3.1
224.24530	1.0
235.11781	6.6
236.62128	1.0
250.53656	1.0
256.26935	1.0
277.07584	1.2
277.15509	6.5
277.21686	2.4
289.75708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
59.01377	100.0
60.01723	0.7
69.08217	3.3
71.01373	6.2
73.02951	2.4
74.96721	0.6
83.01378	1.0
85.02527	0.6
85.02927	2.7
89.02444	0.7
96.58347	0.6
99.00871	0.7
101.02440	6.9
103.20477	0.6
113.02471	1.8
115.43409	0.6
128.10251	0.6
151.48982	0.7
161.04579	1.8
180.98233	0.5
192.23653	0.5
235.11864	11.9
235.74782	0.6
272.86557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.8
59.01375	9.5
64.13852	0.9
70.14150	1.1
70.14471	1.5
70.66512	0.9
71.01395	2.4
71.05013	4.0
73.02956	2.5
78.95918	3.2
83.05016	5.3
85.06583	5.8
87.04507	1.2
95.27386	1.0
96.96964	1.4
97.06590	3.1
99.04530	4.0
99.08157	2.2
101.02435	2.2
101.06076	2.6
111.04470	1.5
113.06073	5.9
115.03995	8.0
115.07655	6.9
119.05064	1.1
121.02942	1.8
123.04369	0.9
126.08858	1.0
129.05588	4.4
129.09204	1.7
129.92010	1.0
135.11786	1.0
141.05580	3.4
143.07111	1.1
152.91766	5.4
159.06656	2.4
179.10802	3.5
194.92686	7.3
194.95523	2.4
197.11804	4.2
212.93826	1.4
215.12880	13.7
217.10783	2.1
241.10786	4.9
259.11850	32.5
272.54858	1.0
277.12912	100.0
277.21707	2.8
278.13254	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
65.92433	0.5
70.02964	0.6
71.05008	1.3
72.00894	1.6
75.80787	0.5
75.91203	0.5
79.53613	0.4
91.05534	11.9
112.07680	0.6
117.93800	0.5
129.10342	62.7
130.03305	0.8
130.10721	1.2
135.04544	0.7
146.08235	5.4
147.04526	17.6
148.04817	1.2
164.07164	16.0
164.08539	1.0
166.63618	0.5
176.03925	0.7
217.11949	0.7
222.84332	0.5
233.16554	4.9
277.15558	100.0
278.15869	4.4
285.50012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38782	0.4
52.82264	0.4
53.44186	0.4
59.01363	0.8
60.15313	0.4
71.02488	0.7
72.00916	1.4
75.00880	1.0
82.06620	2.5
87.05645	1.4
91.05531	12.1
96.13310	0.4
112.07690	5.1
121.02938	1.2
129.06696	1.9
129.10341	68.1
130.08734	2.2
130.10687	1.0
141.10347	1.0
146.08203	0.6
147.04518	20.2
148.04872	0.5
164.07162	17.3
191.11951	0.8
194.92773	0.7
233.16631	5.3
259.11157	0.4
277.15558	100.0
278.15845	4.1
294.90195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1557
Annotation	(-)-Mamanine N-oxide
Peak:m/z	Relative Intensity
59.01370	2.1
65.92433	0.5
70.02964	0.6
71.05008	1.3
72.00894	1.6
75.80787	0.5
75.91203	0.5
79.53613	0.4
91.05534	11.9
112.07680	0.6
117.93800	0.5
129.10342	62.7
130.03305	0.8
130.10721	1.2
135.04544	0.7
146.08235	5.4
147.04526	17.6
148.04817	1.2
164.07164	16.0
164.08539	1.0
166.63618	0.5
176.03925	0.7
217.11949	0.7
222.84332	0.5
233.16554	4.9
277.15558	100.0
278.15869	4.4
285.50012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
57.64705	0.3
57.89943	0.3
59.01397	1.2
60.97519	0.5
61.98841	1.4
69.15347	2.0
78.95916	0.4
98.22578	0.8
103.02216	0.8
110.33099	0.3
121.03272	3.4
134.89471	3.3
146.99437	1.2
147.08466	5.1
149.00990	0.6
152.91768	0.9
165.00450	10.8
165.01819	0.7
166.00441	0.4
179.24210	0.3
180.12439	0.3
189.04129	1.3
191.05661	11.7
192.05827	0.4
194.92714	1.9
194.95520	0.5
199.56458	0.3
205.07210	1.6
217.07127	0.4
218.86777	0.6
231.08678	1.8
233.10326	100.0
234.10443	5.5
241.79344	2.4
251.11375	0.4
259.15491	1.2
277.16559	89.6
277.21655	5.1
278.16708	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.56531	0.3
59.01379	3.1
59.95189	0.2
65.18433	0.3
69.05931	1.5
71.01380	0.4
83.04988	0.3
83.93394	0.3
98.21864	0.5
104.12346	0.3
109.52576	0.2
127.07542	0.3
194.92865	0.4
194.95486	0.4
205.15990	0.7
233.22737	0.6
259.17920	0.3
259.20642	0.5
275.20178	0.3
277.18289	4.5
277.21695	100.0
278.18817	0.4
278.22058	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.56134	0.2
59.01376	1.3
61.98832	0.3
62.85623	0.2
66.76761	0.2
69.24643	1.1
71.01386	0.4
87.29578	0.2
93.05067	0.2
96.96030	0.3
102.07604	0.2
127.07677	0.3
134.89496	1.4
153.62930	0.2
218.86676	0.4
233.22694	0.6
241.79370	0.8
259.20670	0.5
275.20172	0.6
277.21704	100.0
278.22046	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	278.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20116	36.3
56.37161	34.6
59.01378	100.0
71.00291	54.9
71.01346	55.7
77.97798	37.6
86.08868	35.6
90.67638	34.1
124.58912	34.0
127.62131	37.0
149.16946	40.5
279.23285	63.9
293.02454	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	279.0873
Annotation	Euparvic acid
Peak:m/z	Relative Intensity
50.83962	0.6
53.02862	0.5
59.01497	2.4
67.01990	1.0
69.29316	0.6
83.05112	1.2
93.03575	0.7
98.22691	1.4
99.04687	1.7
121.02959	14.4
130.04323	0.6
131.05161	1.8
132.05673	0.5
135.04585	0.8
136.05309	10.4
138.81586	0.5
142.96007	0.5
143.05147	2.0
147.04701	0.7
149.06227	0.6
151.07785	2.0
161.06221	1.8
161.09746	0.6
168.04396	1.5
176.08498	1.9
188.04819	2.8
203.07188	2.4
220.07405	14.5
221.07733	0.7
235.09749	100.0
236.10132	4.7
241.15610	0.8
279.08646	22.4
279.23303	5.6
280.09009	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	279.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71341	0.4
51.57531	0.5
51.65015	0.5
57.05114	0.4
59.01378	1.0
60.44713	0.5
69.69468	1.2
69.69817	0.9
72.86710	0.5
92.05093	1.1
93.05384	0.6
95.01428	0.6
96.96070	0.5
98.06940	0.6
121.02946	0.6
121.70345	0.5
123.00909	0.5
127.73717	0.5
136.05287	4.2
137.04434	0.5
137.06149	2.4
146.03746	0.8
146.07382	0.6
149.02507	0.7
149.06119	0.6
151.04021	2.0
151.07645	9.8
160.05290	1.2
161.06065	9.9
161.09718	3.8
175.07632	4.1
176.08421	8.3
188.04822	0.9
191.10796	3.8
195.06612	0.6
203.07150	7.1
235.09737	100.0
236.10045	3.6
279.08676	28.5
280.08990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.6
57.03444	0.8
58.00579	1.2
59.01376	100.0
69.46947	1.2
69.47358	2.3
71.01378	44.4
72.99313	0.8
73.02956	1.0
79.57581	0.7
79.61697	0.7
83.01379	1.3
83.85147	0.8
85.02946	7.5
85.90620	0.7
87.00872	2.0
89.02440	60.6
94.03062	0.7
95.01395	2.9
98.10152	0.6
99.04507	1.3
101.02438	27.1
113.02447	20.2
115.08795	0.9
116.42709	0.6
119.03499	30.7
122.32312	0.6
131.03491	2.6
134.60977	0.6
142.12325	0.7
143.03519	2.5
149.04579	1.5
154.14221	0.7
161.04562	2.3
165.06699	2.3
173.09711	0.7
179.05586	4.7
257.25986	0.8
279.10840	23.4
279.13599	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	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
51.71643	0.7
52.48183	0.6
54.45401	0.6
57.03449	1.4
59.01377	100.0
69.73611	2.2
71.01381	47.1
73.02939	1.4
73.46555	0.7
83.01396	1.8
83.99097	0.7
85.02944	6.6
87.00864	1.6
89.02442	55.9
89.77054	0.8
90.02774	1.2
95.01385	2.9
96.95989	0.8
101.02439	27.1
113.02445	17.1
117.05521	1.0
119.03505	27.5
131.03503	2.6
143.03506	3.1
149.04501	1.7
159.37090	0.7
161.04512	1.7
165.06731	1.3
165.91251	0.6
179.05580	3.3
219.85500	0.6
250.64902	0.7
279.10818	21.7
279.22983	0.8
280.11099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1235
Annotation	9'-HOABA
Peak:m/z	Relative Intensity
55.01882	1.7
57.03445	6.3
59.01369	2.3
59.27722	0.7
60.29976	0.9
66.29330	0.8
69.03450	3.3
70.84600	1.0
71.05019	1.4
79.05511	1.5
80.02657	0.8
81.03451	3.2
83.05016	2.8
84.02172	1.3
87.04526	1.7
93.03416	1.1
95.05019	2.2
97.02931	8.0
97.06565	2.2
98.18264	0.7
99.04533	5.3
107.05061	1.7
109.02950	2.5
109.06570	2.4
111.04523	5.5
121.02921	1.0
121.06587	6.2
122.03813	1.2
123.04526	1.2
123.08153	3.2
125.06093	9.3
133.06593	1.5
135.03537	0.9
135.04529	2.6
135.08203	2.0
136.05296	18.7
136.07639	2.1
137.09685	2.9
139.07629	6.8
147.08122	2.6
147.11803	3.0
149.06079	0.9
149.09758	1.4
151.07640	100.0
151.11227	9.2
152.07997	2.1
156.09386	1.8
157.06432	0.9
157.10249	1.4
158.07365	4.0
159.08069	1.0
161.06088	1.3
161.09679	1.3
162.06885	1.8
163.11166	0.8
165.05577	1.3
165.09169	1.6
166.40234	0.9
167.07112	4.7
168.07907	27.1
169.08736	9.8
171.08205	2.8
171.11787	5.6
172.08914	1.0
173.09662	6.7
174.10390	0.9
175.07661	1.7
175.11304	3.0
179.07077	4.1
179.10799	1.8
180.07904	1.1
183.08115	0.9
184.08925	21.1
187.07657	1.5
187.11276	9.1
189.09201	2.5
189.12839	12.6
191.10762	3.2
199.11278	14.5
200.11600	0.9
201.09245	6.5
202.09949	4.4
205.12317	36.6
206.12666	1.5
215.10692	5.9
217.12318	53.2
218.12685	1.6
235.13257	5.2
243.10178	1.1
249.11301	1.4
261.11334	3.5
279.12329	18.6
279.23297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1236
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
51.98460	0.2
57.75922	0.2
58.00596	0.3
59.01376	12.4
66.99064	0.2
70.64806	0.4
70.82590	0.2
71.01379	2.6
89.02437	4.1
91.03999	6.0
93.03443	0.5
95.01358	0.8
98.22580	0.2
105.03441	0.4
106.04228	2.8
108.02147	0.3
109.02945	2.8
111.00867	0.3
117.46926	0.2
121.02950	14.0
122.03262	0.4
123.00874	1.9
123.04493	0.6
133.06589	0.4
134.03734	1.3
134.89473	0.5
135.04536	1.2
136.89165	0.3
137.02429	4.1
138.03171	0.3
149.02440	13.2
149.06111	0.4
150.02901	0.3
151.04025	0.3
159.04466	0.3
159.08151	0.4
160.08925	9.4
161.02408	0.3
161.09711	10.4
162.10004	0.2
163.07635	7.1
164.07927	0.3
166.06442	0.3
175.07599	0.8
176.08473	0.7
177.05551	0.6
187.11084	0.2
189.09230	1.8
191.07091	0.5
204.07889	3.8
205.08667	5.1
224.06860	1.4
225.07211	0.3
235.13393	0.7
256.05847	3.0
258.88574	0.2
279.12354	100.0
280.12677	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
50.57355	0.6
53.60744	0.6
57.03444	6.5
58.79847	0.5
59.01375	4.7
96.23057	0.6
97.06579	2.4
113.09730	26.4
114.10106	0.5
121.10178	0.8
139.11273	4.2
163.11273	1.0
165.09215	0.8
181.12318	1.9
228.76752	0.7
235.20700	3.8
261.18567	0.9
279.19611	100.0
279.23145	22.9
280.19980	4.2
280.23422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
56.80433	0.4
59.01363	0.5
61.98820	1.4
72.99302	1.0
79.85998	0.5
83.05034	0.6
92.54514	0.5
96.95990	0.8
97.06569	0.6
98.95659	0.5
125.09704	4.6
134.89441	3.2
136.89156	1.6
139.11282	2.1
155.34427	0.5
162.91185	0.5
177.16495	5.1
206.82492	0.5
219.84570	0.6
231.17400	0.6
233.19089	2.2
241.79326	1.5
243.79041	2.1
274.32846	0.6
279.19623	100.0
280.20007	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01368	1.6
63.18009	0.4
63.30658	0.4
66.23631	0.4
67.76424	0.4
69.52208	0.5
75.77573	0.4
75.99543	0.4
99.08131	0.5
139.14688	0.4
155.19040	0.4
155.38943	0.5
206.99535	0.4
261.22394	0.5
279.19821	5.9
279.23273	100.0
280.20422	0.7
280.23621	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.77099	0.4
59.01370	0.6
70.05576	1.3
98.22596	0.5
131.07173	0.5
140.96008	0.4
147.88751	0.4
184.51283	0.4
206.88274	0.4
257.37521	0.4
261.22330	0.7
279.23288	100.0
280.23642	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	280.0826
Annotation	Fenitropan
Peak:m/z	Relative Intensity
59.01369	2.9
71.01376	8.9
78.29563	0.5
81.64954	0.6
83.05034	0.6
85.02941	0.6
88.04041	100.0
90.25688	0.5
93.03457	3.3
93.81296	0.5
96.96004	1.3
96.99303	0.7
106.04238	5.8
108.02203	0.7
114.01972	4.6
115.00374	16.5
121.02980	1.0
121.06591	1.9
121.78085	0.5
131.93382	0.5
132.03027	89.5
133.03151	0.9
133.10164	1.1
134.03708	0.9
135.04567	2.7
136.04874	0.8
137.02480	0.6
149.02432	1.0
155.79735	0.7
161.02402	1.1
162.02803	1.0
164.04805	1.4
164.07155	1.4
165.01929	0.8
165.05569	4.3
173.04523	2.6
174.04822	0.8
176.54211	0.7
179.03506	1.9
180.03777	0.8
180.84132	0.6
190.02718	2.1
191.03217	1.2
191.05556	1.1
204.85336	0.5
205.05067	2.1
206.05380	0.9
208.33405	0.6
210.23203	0.5
236.09193	3.6
262.07104	0.9
272.03210	0.7
279.23254	0.8
280.08258	33.7
280.23657	1.4
281.08420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
69.31174	2.3
71.01381	8.7
72.00905	0.7
73.02960	0.6
77.12304	0.4
88.04038	100.0
89.04391	0.5
93.03460	1.5
96.99305	0.9
97.17600	0.6
106.04251	5.5
114.01962	6.5
115.00368	17.8
116.00720	0.6
121.06581	3.5
132.03024	91.1
133.03368	1.1
151.08739	3.1
163.08768	2.0
164.07159	1.4
165.01926	1.1
165.05553	3.9
193.13487	1.2
219.11348	0.9
236.09242	3.7
237.12407	6.8
262.07178	1.4
262.10223	0.5
279.23352	0.5
280.08255	39.0
281.08572	1.8
281.11716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0819
Annotation	Matteuorien
Peak:m/z	Relative Intensity
55.80548	0.8
59.01368	3.1
61.07711	0.9
61.98798	1.6
69.60693	1.8
69.61014	1.1
72.49525	0.9
77.03960	23.5
105.03456	100.0
106.03799	2.6
111.84232	0.8
116.97215	1.0
130.99213	0.9
136.89227	0.9
162.03215	1.9
164.04834	1.0
181.06503	0.8
183.06487	2.2
183.08138	44.3
184.08490	1.3
209.09685	11.9
253.08676	71.6
254.08983	4.2
271.09775	13.5
281.08179	76.8
281.11609	3.0
281.21045	1.8
282.08508	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.75005	0.4
61.40581	0.5
70.47697	1.0
71.01377	0.7
84.42345	0.5
101.02448	0.9
105.09447	0.5
115.98743	0.4
122.28103	0.5
221.10323	3.3
264.65332	0.5
296.38220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01862	1.6
55.13619	1.0
55.76427	0.8
57.03452	14.8
58.99593	1.9
59.01377	10.5
60.41078	0.8
61.98823	0.8
65.03954	2.6
69.03465	1.8
71.01391	1.4
71.05009	1.1
71.25410	0.8
71.41973	0.8
73.02958	0.8
81.03450	1.3
81.07091	1.2
83.05025	12.4
85.02953	1.6
87.00878	17.4
93.03455	1.2
95.05033	3.2
96.02199	0.9
97.02945	1.5
97.06590	1.9
98.03732	0.8
101.06109	1.1
102.98604	2.4
107.05075	1.3
109.06602	1.8
111.04528	6.2
111.08175	4.8
111.40358	0.8
113.06067	1.4
119.08678	1.9
121.06605	7.5
123.08167	31.2
124.05279	1.9
125.09747	1.0
127.69356	0.7
129.07124	0.9
133.06557	1.0
137.06129	1.0
137.09697	4.6
138.06902	1.7
139.07658	6.5
145.10225	4.6
146.26311	0.8
149.09705	1.2
151.07616	4.3
153.09215	3.6
163.11285	1.9
164.04785	2.6
165.09341	1.1
169.08722	2.2
169.10220	3.7
171.11795	38.4
172.12105	2.2
175.11287	1.7
189.12836	12.4
191.03490	1.4
201.12854	12.4
207.13870	6.7
219.13866	6.3
237.14957	53.8
238.15317	1.2
245.06383	1.1
281.13962	100.0
281.24698	1.9
282.14157	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2122
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
77.52291	0.5
82.67059	0.5
83.04974	0.5
86.12093	0.5
109.06548	0.7
113.09717	1.1
119.13216	0.5
127.11282	10.7
130.53728	0.5
141.12880	5.0
154.03296	0.7
171.51625	0.5
205.19531	0.6
235.20624	7.1
263.20139	0.6
281.21216	100.0
282.21539	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2122
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
52.80051	0.8
57.03435	1.7
59.01377	4.4
61.98816	1.8
69.47664	1.9
84.29379	0.9
100.92164	0.8
101.30907	0.7
111.08158	2.3
113.09708	1.1
127.11301	2.1
133.06593	1.4
157.08699	34.2
163.03999	2.2
164.04782	17.4
169.08659	0.9
229.29631	0.8
263.20154	33.8
264.20551	1.6
281.11807	28.7
281.21213	100.0
282.12314	2.0
282.21545	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	281.2471
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
59.01370	0.7
61.98823	0.5
63.97617	0.4
69.32358	0.4
69.75241	0.8
69.75607	0.9
99.37102	0.5
116.92865	2.0
164.04814	0.8
164.98299	0.5
209.15417	0.5
210.40179	0.4
281.11743	1.1
281.24850	100.0
282.25183	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
67.70287	0.4
69.78013	0.4
71.18757	0.6
82.93812	0.5
209.02501	0.5
254.97148	0.5
281.24844	100.0
282.25211	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	282.0844
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.92799	0.3
59.01377	0.8
66.00968	0.4
70.12096	0.8
71.01381	0.5
73.81133	0.3
75.56342	0.2
82.04122	1.0
98.21857	0.3
107.03635	3.8
108.01410	0.2
108.02038	9.6
123.04541	1.0
126.03099	4.2
130.08740	1.2
133.01566	28.9
133.20351	0.3
134.01910	0.5
150.04221	100.0
151.02727	0.4
151.04669	1.5
162.01891	0.3
167.03497	2.3
198.81732	0.3
262.03088	0.3
282.08444	32.0
283.08786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.9
61.98812	0.7
63.05642	0.3
70.85734	0.4
98.21890	0.4
102.36455	0.3
107.13103	0.3
117.34094	0.4
120.67062	0.3
146.16768	0.3
196.09106	0.5
197.90138	0.4
200.94615	0.3
209.06058	0.7
211.11328	0.8
221.09776	0.6
223.07639	2.3
224.08427	6.1
225.08899	0.6
237.09192	3.3
238.09969	3.7
239.10762	100.0
240.11101	5.3
250.55225	0.3
252.07851	1.9
267.10248	69.9
268.10803	7.3
282.12601	66.1
283.09872	0.4
283.13135	8.1
283.26508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37550	0.5
50.42100	0.5
52.73576	0.5
59.01379	94.0
60.01719	0.5
61.98829	10.2
69.25442	2.4
86.74952	0.5
98.21796	0.5
99.98933	2.1
112.92332	2.7
115.02528	0.7
137.94487	0.7
138.92076	1.1
138.94528	0.8
138.96503	1.1
139.94229	6.2
140.91806	3.6
140.94283	2.6
141.94017	0.7
141.99969	36.2
152.93605	0.7
154.93408	2.7
157.03578	5.9
159.01514	2.8
181.95311	1.8
182.95421	1.2
184.01038	12.6
201.02554	100.0
202.02731	5.2
244.00316	0.5
282.95157	2.7
283.26468	9.1
284.01129	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95552	0.6
57.96633	0.6
65.00311	0.8
66.89356	0.5
67.76023	0.7
71.01382	19.9
72.42389	0.6
87.13328	0.5
90.07025	0.6
91.01896	9.9
108.02168	8.5
115.00369	10.4
123.00840	1.0
123.04524	37.2
136.46689	0.7
152.01172	6.5
167.03493	100.0
168.03850	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	283.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.1
65.57117	0.6
69.64761	1.2
69.65121	1.2
70.96965	0.5
71.01381	18.9
89.99077	0.5
90.72934	0.6
91.01897	8.2
98.22803	0.5
108.02156	7.7
115.00375	9.8
123.04527	33.2
133.01414	0.7
147.51735	0.6
152.01161	6.3
167.03497	100.0
168.03831	2.4
177.53223	0.6
189.06116	0.5
191.98911	0.5
283.26413	0.7
287.61118	0.6
297.53131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31850	0.7
58.52909	0.6
58.77503	0.6
64.11852	0.6
65.00321	1.3
67.58169	0.7
69.81419	0.7
69.81783	2.1
71.01384	22.7
91.01895	11.2
101.28547	0.8
108.02177	9.0
111.00897	0.7
115.00378	10.5
123.04529	34.5
125.26383	0.6
133.41199	0.7
134.57779	0.8
138.73518	0.6
152.01154	6.9
153.58580	0.6
167.03499	100.0
168.03870	3.4
266.90509	0.7
283.26465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37367	0.5
52.12014	0.5
59.01380	2.6
69.09445	2.1
69.09850	1.1
76.77285	0.5
79.14011	0.5
85.43925	0.5
98.77216	0.5
125.46167	0.5
188.38260	0.4
200.94490	0.6
201.02446	1.1
209.06317	0.5
212.04980	0.5
222.06889	0.8
223.07651	3.1
224.08330	0.8
224.12047	1.2
225.05566	10.4
225.09142	1.3
239.07097	0.6
250.06276	1.2
251.07141	2.7
252.07921	10.5
253.05058	100.0
254.05354	4.7
265.08597	1.0
266.09418	0.8
268.07407	30.0
268.11011	19.0
269.07736	1.4
283.09753	38.5
283.13324	8.5
283.26352	5.9
284.10165	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	283.0976
Annotation	7,8-Dimethoxyflavanone
Peak:m/z	Relative Intensity
50.10338	0.7
53.45323	0.7
59.01374	3.9
61.98833	1.1
69.39565	1.3
69.39979	2.5
114.93301	0.7
121.96085	0.6
123.04571	0.8
157.62068	0.7
159.54413	0.6
160.88985	0.7
201.02571	1.8
214.16541	0.6
221.06075	4.2
221.15431	1.6
237.14951	2.3
238.02452	0.7
239.07133	7.9
240.04214	1.4
240.07848	3.6
251.07066	0.7
265.05072	11.7
265.14264	1.0
266.02307	0.9
266.05334	0.9
267.06616	96.0
268.06985	5.3
283.09756	100.0
283.15042	8.9
283.26456	7.0
284.10101	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	283.0975
Annotation	Pulchelstyrene D
Peak:m/z	Relative Intensity
58.22493	0.6
59.01369	2.3
69.11546	1.8
69.11954	1.0
75.15378	0.5
97.06599	0.7
97.88277	0.7
98.22617	1.0
98.57799	0.5
107.01449	0.6
121.02918	0.6
121.47022	0.7
122.03731	6.0
130.04181	1.1
132.35904	0.6
133.02939	1.0
135.04565	0.6
146.03754	0.7
147.04544	1.1
148.05298	3.0
149.02446	2.1
150.49075	0.5
152.91737	0.7
163.30701	0.5
164.04744	0.7
174.03287	0.9
195.08119	3.4
197.09673	1.9
197.90329	0.8
200.94527	1.2
201.02592	1.0
221.09659	0.6
221.19069	3.0
225.05594	1.1
239.07123	11.5
239.10651	4.2
240.07919	13.4
241.04999	0.6
241.08342	0.6
253.05054	10.1
255.10423	0.7
265.08679	1.6
265.18042	1.5
267.06601	1.8
268.07401	6.4
268.10867	1.8
283.09747	100.0
283.19034	5.8
283.26398	2.4
284.10089	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	283.0978
Annotation	Pulchelstyrene D
Peak:m/z	Relative Intensity
59.01390	5.5
64.66991	0.8
90.89199	0.8
104.87821	0.9
105.24466	0.8
119.87067	0.9
127.68345	1.0
149.97397	0.9
196.08995	2.4
200.94540	1.4
201.02568	3.6
211.07634	41.7
212.08038	1.9
217.92940	0.9
225.05606	1.5
227.10814	2.8
239.07147	56.8
240.07909	43.5
241.08255	1.5
254.09500	19.8
255.10252	17.0
268.07416	27.5
269.07681	2.0
283.09766	100.0
283.26434	6.5
284.10242	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	283.0975
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
57.29181	2.6
59.01387	15.7
61.79882	2.3
61.98851	3.4
92.02676	51.3
92.47677	2.8
95.01395	26.7
108.02182	23.8
130.71533	2.5
136.01663	100.0
142.06534	2.5
146.59515	2.5
196.50174	2.3
197.90158	2.6
200.94412	4.9
201.02557	5.4
239.10776	7.4
265.18018	5.5
283.09714	47.8
283.13293	5.5
283.19196	9.0
283.26334	15.8
284.10074	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	283.1187
Annotation	Karalicin
Peak:m/z	Relative Intensity
59.01376	100.0
60.01685	0.9
67.05538	2.3
71.01387	0.8
71.05321	0.7
120.25578	0.5
124.05318	1.8
135.11838	2.8
161.09799	0.7
179.10765	66.1
180.11214	2.8
181.08672	0.7
192.47937	0.7
201.02634	0.6
223.09793	5.3
239.12868	1.2
241.10870	1.9
283.26376	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	283.1339
Annotation	Magnatriol B
Peak:m/z	Relative Intensity
56.65571	0.7
59.01372	4.6
76.46532	0.7
76.70993	0.6
78.27180	0.8
89.58345	0.7
99.86346	0.8
115.64115	0.8
120.16111	0.8
121.02946	0.9
124.39649	0.7
133.06541	0.9
135.04527	0.9
136.42699	0.9
149.06087	0.9
163.04066	0.7
176.04823	0.8
177.05553	7.7
201.02498	2.0
225.09203	63.4
226.09514	4.4
253.08696	66.7
254.09164	4.5
268.11032	100.0
269.11288	6.0
275.32278	0.7
281.33337	1.0
283.06552	1.5
283.09799	13.3
283.13379	35.6
283.19086	3.2
283.26367	5.3
284.13504	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	283.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90854	0.5
59.01428	3.2
60.97874	0.6
61.98880	0.8
70.02116	0.6
70.02470	1.7
72.88305	0.5
79.21064	0.6
97.21397	0.6
121.02998	1.5
135.39815	0.5
200.94467	0.7
201.02724	0.8
225.09200	72.2
226.09505	4.6
239.07138	1.1
240.07896	5.4
241.08141	0.6
253.08685	85.8
254.09010	4.3
255.10219	1.0
265.18243	0.7
267.06659	3.1
268.07703	4.1
268.11023	100.0
269.11328	5.2
283.09811	9.6
283.13342	53.4
283.19067	4.6
283.26352	3.1
284.10294	0.8
284.13736	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	283.1341
Annotation	Magnatriol B
Peak:m/z	Relative Intensity
53.54214	0.5
58.37580	0.5
59.01386	2.7
69.87659	1.6
80.48347	0.5
89.02396	0.5
98.22596	0.7
102.98617	1.3
110.95486	0.5
144.40263	0.6
167.71675	0.5
176.60092	0.5
200.94661	0.7
201.02534	1.2
210.06793	0.8
223.07663	0.6
223.13327	1.6
223.53963	0.6
225.09207	58.0
226.09595	3.4
229.10573	0.6
240.07866	2.1
253.08691	63.3
254.09068	3.0
268.07455	17.4
268.11017	100.0
269.07947	1.6
269.11334	5.3
272.11285	0.7
283.09769	7.6
283.13361	31.1
283.26385	3.8
284.10324	1.0
284.13519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08626	0.2
56.86415	0.2
57.17177	0.2
59.01371	0.7
65.61302	0.2
69.34489	1.0
90.18459	0.2
99.29571	0.2
107.30286	0.2
115.35232	0.2
117.21810	0.2
119.39533	0.2
121.02948	0.6
137.24756	0.2
162.03279	0.2
201.02490	0.5
207.93539	0.2
221.19138	0.2
223.11252	0.7
224.12045	4.7
225.09195	4.3
226.09518	0.5
239.10794	1.7
240.11058	2.4
253.08653	4.0
266.09344	0.3
267.10217	3.7
268.11017	100.0
269.11380	5.4
283.13364	41.5
283.26376	1.0
284.13687	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	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.88689	0.4
52.46357	0.4
53.44298	0.4
56.18237	0.5
61.13712	0.4
63.97559	0.4
69.76882	0.6
69.77208	0.9
75.00786	0.4
87.72109	0.4
98.21925	0.8
101.14294	0.4
106.04247	0.6
107.05027	94.3
108.05340	2.2
121.14149	0.4
135.86275	0.4
163.11282	100.0
164.11624	2.7
244.08879	0.6
283.17026	90.2
284.17404	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	283.228
Annotation	2-Methoxy-5Z-hexadecenoic acid
Peak:m/z	Relative Intensity
54.34562	0.4
59.01375	1.4
61.98836	0.8
70.93742	0.4
72.99304	0.5
97.06590	0.8
116.92921	0.7
118.96967	0.4
120.64454	0.3
175.61725	0.3
200.94563	1.0
235.20689	1.5
237.22223	27.9
238.22508	1.3
265.21689	0.7
265.36722	0.4
278.91769	0.3
283.22778	100.0
284.23120	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	284.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94995	0.4
59.01373	5.8
60.01711	0.6
61.98821	1.3
66.02843	0.4
66.07623	0.4
69.85797	1.3
81.95629	0.4
88.79659	0.5
93.62955	0.4
98.00983	1.0
99.98913	4.4
113.33980	0.4
118.58462	0.5
124.65594	0.4
130.59973	0.4
139.94225	1.1
140.02058	1.5
141.99965	100.0
143.00089	3.9
175.48415	0.4
184.01019	34.0
185.01198	1.7
199.98969	0.6
201.02567	0.8
202.02734	4.4
203.02330	1.3
237.58798	0.4
242.00076	1.0
283.26584	2.1
284.01132	50.1
284.26675	0.8
285.01212	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01383	0.7
59.87415	0.1
60.84183	0.1
63.02393	0.8
65.00324	2.5
69.15052	0.4
69.15440	0.3
77.03976	0.2
79.63854	0.2
83.01379	1.4
93.03426	0.2
105.03459	0.6
107.01387	4.5
108.99298	0.2
121.02945	0.8
125.02409	0.2
132.02168	0.5
132.35680	0.2
133.02948	23.9
134.03304	0.6
143.05002	0.4
145.02995	0.2
147.04543	0.5
149.02441	3.3
151.00366	8.6
151.06479	0.2
152.00732	0.3
155.04948	0.2
157.06627	0.3
169.06554	0.2
171.04541	0.7
173.02412	0.2
173.64667	0.2
174.03079	0.2
175.03996	4.5
176.04251	0.2
177.01891	0.3
181.12346	0.9
185.06093	0.5
187.03941	0.2
189.05560	0.4
197.06055	0.4
198.03206	0.7
199.03976	4.0
200.04309	0.2
201.01884	1.5
211.03844	0.3
212.04794	0.4
213.05528	0.9
214.02682	0.2
215.03502	0.9
217.05035	2.5
223.04013	0.5
225.11417	0.3
229.04999	0.3
239.03514	0.3
240.04308	0.2
241.05063	1.3
242.05505	0.2
243.02919	0.9
243.12231	0.2
257.04578	0.7
267.03049	0.6
282.15674	0.2
285.04022	100.0
286.04346	5.5
287.57532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.12636	0.5
59.01387	2.3
64.04221	0.4
67.01878	0.5
71.01376	0.6
73.02950	0.5
85.02945	1.0
93.03466	3.2
111.00901	0.5
111.04499	1.0
119.01361	0.7
121.02906	0.8
123.04506	1.0
134.03741	3.5
134.07413	0.5
137.02455	1.1
143.42207	0.4
147.00905	0.5
149.02452	2.7
155.03496	1.1
155.05069	0.7
157.06601	0.9
157.20370	0.5
160.01668	1.4
164.04765	1.3
167.05002	1.7
169.06604	1.1
173.04578	6.9
175.00414	1.9
175.04013	1.3
175.53633	0.9
176.01283	0.5
178.02724	0.5
182.03781	0.6
183.04665	5.1
185.06076	2.4
190.02689	4.8
193.05087	3.0
195.04501	5.4
197.02734	0.6
197.06067	1.0
198.03198	1.6
199.03999	0.8
201.05550	0.9
202.98718	0.8
205.05016	5.8
210.03296	1.2
211.03998	12.4
212.04822	3.0
213.05566	6.5
214.02675	0.9
215.03445	0.6
217.00204	0.5
223.04008	1.9
223.06155	1.4
226.02745	0.9
227.03502	0.7
229.05087	2.0
239.03429	3.8
240.04222	3.8
241.01378	0.9
241.05020	5.6
241.14539	0.4
242.02229	1.7
252.00647	1.3
256.03757	7.1
257.04474	4.2
266.02203	2.7
267.02957	16.8
267.12280	0.5
268.03683	6.5
283.02576	0.8
284.26666	0.5
285.04034	100.0
285.13177	2.4
286.04468	5.2
286.07504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Kaempferol
Peak:m/z	Relative Intensity
50.11744	0.2
59.01378	0.5
63.02386	0.6
65.00317	0.7
70.61780	0.5
83.01376	0.9
91.01893	0.3
93.03455	2.6
95.01384	0.5
107.01386	1.3
108.02195	0.8
109.02937	0.8
117.03468	0.7
121.02937	0.3
123.00851	0.3
123.04519	0.8
131.05048	0.3
133.02985	0.4
135.00882	0.7
136.01645	0.3
137.02434	0.6
143.05029	1.2
145.02940	0.7
151.00401	1.4
154.04205	0.8
155.05038	0.6
156.05873	0.2
157.02937	0.5
157.06572	0.7
158.03722	0.3
159.04514	1.2
161.02464	0.6
163.00378	0.9
164.01126	0.5
165.01929	0.5
167.04973	0.7
168.05782	0.3
169.06592	1.0
171.04497	0.9
173.02370	0.5
173.06131	0.3
183.04547	0.3
185.06107	2.1
187.04024	1.7
195.04480	0.3
196.05222	0.3
199.03992	0.4
201.05630	0.4
211.03960	1.2
213.05545	0.8
214.02669	0.8
215.03529	0.6
217.04921	0.2
227.03513	0.5
229.05069	1.7
239.03435	1.2
240.04146	0.5
241.04950	0.2
243.03011	0.8
244.41313	0.2
255.02986	0.5
255.47606	0.2
256.03271	0.2
257.04547	0.9
268.03824	0.3
284.03098	0.3
285.04019	100.0
286.04364	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	285.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
59.65582	0.6
69.54125	1.2
69.54511	1.5
71.01357	0.6
72.00908	8.8
74.02474	17.2
75.95538	0.6
82.89177	0.6
84.32619	0.5
98.22676	0.7
99.99730	0.5
111.95516	0.7
116.05064	45.3
117.05368	1.0
118.43371	0.6
123.04488	1.5
129.05849	2.0
130.06628	13.1
132.08252	0.7
142.05553	1.0
142.06624	13.9
157.07678	2.2
159.07954	0.8
159.09253	10.2
167.03432	1.4
169.03975	1.6
175.03979	0.9
186.05585	2.3
203.08258	100.0
204.08588	3.2
218.32603	0.6
225.06447	64.8
226.06763	2.4
256.86258	0.8
285.08572	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	285.0981
Annotation	Orcinol glucoside
Peak:m/z	Relative Intensity
55.01879	0.8
57.03441	0.6
59.01375	2.4
68.13865	0.1
69.32917	0.8
71.01383	11.3
72.01736	0.2
72.99307	0.2
73.02947	3.7
76.46774	0.2
79.05531	6.3
81.03456	4.6
83.01389	1.1
84.98539	0.2
85.02950	4.5
87.00893	0.2
89.02434	0.7
95.01387	1.0
97.02924	0.3
99.00879	1.2
101.02449	5.6
113.02456	4.3
122.03725	0.2
123.04528	100.0
124.04854	2.4
125.02449	0.3
143.03522	0.5
147.04498	0.2
159.02971	0.9
161.03209	0.3
161.04564	5.9
169.03923	0.2
202.98828	0.2
247.76219	0.2
307.93570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03441	0.6
59.01375	2.4
68.13865	0.1
69.32917	0.8
71.01383	11.3
72.01736	0.2
72.99307	0.2
73.02947	3.7
76.46774	0.2
79.05531	6.3
81.03456	4.6
83.01389	1.1
84.98539	0.2
85.02950	4.5
87.00893	0.2
89.02434	0.7
95.01387	1.0
97.02924	0.3
99.00879	1.2
101.02449	5.6
113.02456	4.3
122.03725	0.2
123.04528	100.0
124.04854	2.4
125.02449	0.3
143.03522	0.5
147.04498	0.2
159.02971	0.9
161.03209	0.3
161.04564	5.9
169.03923	0.2
202.98828	0.2
247.76219	0.2
307.93570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21808	0.3
59.62273	0.4
70.48490	0.5
70.48816	0.5
87.01792	0.3
108.83212	0.4
136.05305	0.7
164.04758	0.5
177.84679	0.4
183.08173	0.5
196.05310	0.7
199.03972	1.2
199.07611	0.7
202.98817	0.4
209.06061	1.1
210.06760	0.8
211.07631	5.3
212.04771	1.1
213.05496	0.5
214.75153	0.4
226.06386	1.5
227.07129	15.3
228.07448	0.7
237.05560	3.7
238.06335	2.7
239.07132	11.0
240.04242	12.3
240.07477	0.9
241.04791	0.7
254.05827	4.8
255.06609	100.0
256.06961	5.3
269.08154	2.9
270.08948	50.5
271.09348	2.8
285.11304	87.4
286.11612	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	285.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.6
68.50324	0.2
69.14791	1.2
81.18795	0.2
98.65790	0.2
133.42252	0.2
139.28395	0.2
151.07655	1.2
174.29895	0.2
174.99199	0.4
183.08029	0.3
185.06032	0.4
187.07764	0.2
195.04410	0.3
196.05339	0.5
202.98698	0.3
209.06024	0.6
210.06920	0.5
211.07640	3.8
212.04727	1.2
213.05606	1.6
220.38777	0.3
224.04790	0.4
225.05432	0.3
226.06284	1.2
227.07120	13.7
228.07401	0.5
237.05568	3.1
238.06311	2.2
239.03311	0.7
239.07114	10.1
240.04265	19.1
241.04626	1.0
253.05049	0.4
254.05814	4.7
254.09470	0.5
255.06613	100.0
256.06989	5.8
257.11893	0.5
269.08167	3.1
270.08954	46.3
271.09290	2.6
285.11310	78.7
285.20212	1.8
286.11664	5.5
286.14810	0.3
290.21429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1134
Annotation	4-Hydroxy-2,6,7-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
59.01373	10.6
61.98824	2.7
66.17651	1.8
69.51132	6.7
71.22782	1.7
76.34224	1.7
92.92807	1.7
109.02981	2.0
135.04535	8.7
136.05310	12.5
138.03252	4.8
150.06828	2.4
153.05594	5.1
163.03973	5.0
164.04802	97.4
165.05240	3.5
165.83972	1.6
174.99274	6.3
179.07146	100.0
202.98807	13.3
217.00323	3.6
227.07155	3.4
235.07726	2.6
238.06337	3.4
240.04184	2.2
241.08414	1.9
241.12383	7.4
253.08830	10.3
255.06598	17.9
257.11804	4.3
267.10364	4.7
269.08170	3.9
270.08942	27.8
275.24503	1.8
285.11356	80.3
285.20703	8.5
286.11737	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	285.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94033	0.2
77.03970	0.5
79.90366	0.3
89.34335	0.3
95.00208	0.3
105.03442	1.9
135.04526	6.1
136.05302	7.9
137.05486	0.3
151.07600	0.3
162.03244	0.3
163.04019	1.4
164.04793	20.2
165.05078	0.6
175.03944	0.7
177.05591	0.8
179.03548	2.2
181.10210	0.6
183.08130	0.4
196.03738	0.7
198.06833	1.5
201.09155	0.3
207.08144	0.3
213.09166	0.3
223.07584	0.3
224.08450	0.6
225.09123	0.4
237.05588	0.6
240.11220	0.3
244.50310	0.2
251.07147	0.5
252.07857	1.4
257.11826	3.5
267.10126	0.4
269.08163	7.4
270.08612	0.3
283.09747	4.0
285.11313	100.0
286.11630	5.6
290.79071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25245	0.9
59.01375	2.8
59.13589	0.8
61.98815	1.7
69.40090	0.9
70.90243	1.2
96.52570	0.8
100.10263	0.8
106.04261	1.9
109.39857	0.7
133.90741	0.8
135.04529	11.0
136.05304	60.9
137.05650	2.1
151.07634	1.9
163.03958	1.9
164.04794	47.4
165.05107	1.6
171.87215	0.9
174.99226	1.9
186.95508	1.1
202.98756	2.9
217.00282	1.3
223.20651	11.8
257.11844	25.0
258.12140	1.4
267.19736	6.6
270.09036	2.0
277.88242	0.9
285.11325	100.0
285.20651	19.7
286.11661	6.6
286.21042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1134
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
52.04874	0.4
52.84084	0.3
59.01376	2.3
70.09695	0.7
87.19693	0.4
93.09991	0.3
95.01350	0.3
98.21993	0.4
111.30260	0.3
116.53320	0.3
166.47534	0.3
178.01305	0.3
181.12347	2.4
183.39349	0.3
195.08141	0.5
196.08879	0.7
197.09712	1.1
206.07358	0.6
207.08128	0.7
210.06850	0.6
221.09662	3.4
223.07655	1.2
223.11285	0.7
224.08319	0.5
225.09178	1.0
225.11288	0.4
235.07709	3.0
237.09206	1.3
239.10605	0.4
240.07893	1.4
241.08498	1.5
250.06343	0.4
251.07118	100.0
252.07823	20.6
253.08618	3.5
254.05775	0.5
255.06531	0.5
265.08667	1.7
267.10251	51.3
268.07693	0.7
268.10614	2.8
269.08191	2.4
270.08963	24.4
271.09296	1.3
285.11310	57.8
286.11633	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	285.1134
Annotation	Stemanthrene B
Peak:m/z	Relative Intensity
50.90783	0.5
59.01374	2.3
63.96061	0.4
123.04472	0.7
133.02954	0.7
151.38750	0.5
174.99278	1.0
202.98735	1.4
209.06096	0.5
212.08438	1.9
217.00246	0.8
223.07645	1.6
224.08394	0.7
227.06931	0.6
235.07640	5.9
237.09245	0.5
240.07903	19.0
241.08499	4.5
242.09129	0.8
251.07115	45.6
252.07831	13.6
253.08670	1.1
255.06432	0.6
255.10275	6.9
267.06641	6.5
267.10239	12.9
268.06967	0.7
268.10605	0.9
269.08185	24.6
270.08893	13.5
271.09137	0.8
283.09753	16.6
284.10245	0.8
285.04810	2.8
285.11310	100.0
286.11667	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	285.1132
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
59.01366	2.6
69.19712	1.3
69.20115	3.0
81.07626	0.7
95.53442	0.7
98.21867	1.5
111.95033	0.8
121.02933	1.0
123.04462	0.8
137.06094	0.9
148.05293	0.8
174.99197	1.7
199.04089	1.8
202.98747	3.1
209.06042	1.1
211.07645	5.5
212.04790	0.9
217.00223	0.9
227.07147	14.2
228.07542	0.9
237.05551	4.1
238.06192	2.3
239.07179	9.1
240.04253	10.3
254.05782	5.8
255.06627	100.0
256.06989	4.9
269.08179	4.3
270.08960	51.8
271.09235	2.4
285.08041	4.1
285.11304	93.2
286.11621	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	285.1134
Annotation	Stemanthrene A
Peak:m/z	Relative Intensity
59.01369	4.0
69.97961	0.8
71.43687	0.9
113.16197	0.9
134.03745	61.7
135.04077	1.3
160.97646	1.1
166.02695	12.9
169.06636	1.0
174.99226	1.6
202.98706	5.1
217.00327	1.2
255.06741	1.3
285.11331	100.0
285.20670	3.4
286.11679	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	285.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01375	49.3
68.16795	0.9
71.01408	1.1
83.05020	2.6
87.19643	1.0
91.87027	0.9
95.22614	0.9
123.04516	1.6
128.94882	1.0
129.66182	0.8
132.47757	0.9
141.32455	0.9
145.10164	1.5
156.04495	1.1
163.11296	8.6
174.99237	1.2
181.12334	100.0
182.12651	3.1
202.98749	3.2
207.10165	1.6
225.11310	91.9
226.01476	1.1
226.11655	4.1
227.05923	1.5
243.12300	1.7
285.04001	2.7
285.08029	1.0
285.13403	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	285.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28403	0.6
59.01377	61.8
59.57144	0.6
70.42993	0.6
71.43305	0.7
83.05022	1.2
126.47469	0.5
142.26144	0.6
158.33409	0.6
163.11281	1.6
171.10275	0.8
181.12338	100.0
182.12692	3.7
202.98740	0.9
225.11290	6.5
243.12329	1.6
285.04068	1.4
285.13373	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	285.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.08593	1.6
62.11329	1.4
63.68853	1.4
69.25745	5.7
69.26151	1.9
72.25886	1.3
77.48162	1.7
98.21881	3.3
107.08353	1.3
153.94905	1.5
174.99199	2.1
181.12337	84.8
182.12724	2.5
202.98732	4.2
225.11275	13.5
243.12294	2.3
247.72829	1.5
285.04047	4.1
285.07581	1.6
285.13406	4.3
296.54178	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	285.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18943	0.4
59.01378	100.0
66.19707	0.4
69.81737	1.0
69.82082	0.9
71.01392	1.4
81.03461	0.5
83.05032	4.8
89.02441	2.3
113.02441	0.5
119.03540	0.6
123.04525	0.6
138.93958	0.5
167.03506	0.8
168.03836	0.5
169.01535	0.5
169.04028	1.0
170.54317	0.4
207.15321	0.5
225.16072	13.3
226.16472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01377	4.6
61.98827	1.4
65.19627	0.6
69.03448	0.6
69.84226	1.2
73.80145	0.5
81.25037	0.5
88.74563	0.5
92.06181	0.5
92.92793	1.3
95.05031	2.8
97.06584	15.3
99.08168	2.7
109.06568	1.2
115.07652	1.2
116.68365	0.6
125.06066	2.4
125.87327	1.6
127.07703	1.2
134.89465	1.0
139.11253	1.1
141.12834	5.4
143.07130	6.3
143.63838	0.6
155.12477	0.6
155.14436	1.2
169.12338	9.9
174.99202	2.0
202.98718	3.0
211.20660	1.0
217.00320	1.3
221.19086	2.5
223.20671	1.4
231.17487	0.9
239.62192	0.6
249.18535	5.6
255.19720	0.9
267.19669	9.2
283.19101	1.0
285.04202	0.7
285.20703	100.0
286.21082	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	285.2069
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
52.99489	0.8
57.03440	1.6
59.01369	5.2
61.98812	2.0
71.10909	1.0
93.03466	1.8
95.83706	0.9
97.06583	1.2
99.08157	6.3
113.95803	0.7
121.02951	8.6
123.04510	0.9
125.87363	1.0
134.89447	1.0
136.05305	1.3
139.11264	1.1
141.12830	1.4
152.91711	1.1
169.12331	2.9
173.08289	0.9
174.99272	2.3
179.10780	1.0
181.12372	1.6
185.11830	28.2
186.12106	1.3
194.02319	0.9
199.13383	4.3
202.98711	5.2
211.04039	1.1
215.12910	4.4
217.00395	1.5
241.05217	1.3
249.18561	4.5
255.06642	1.3
257.11783	1.9
267.19672	7.8
268.20071	1.1
269.08078	0.9
270.08972	3.0
283.19049	1.1
285.07712	6.7
285.11349	5.9
285.20703	100.0
286.12051	4.2
286.21198	5.8
286.23721	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	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01394	0.6
75.64014	0.5
77.20927	0.6
85.02934	0.7
116.92914	0.7
146.82304	0.6
153.26738	0.6
156.97734	1.0
211.20642	0.8
229.58569	0.5
235.20602	0.9
237.22258	2.6
239.23799	63.5
240.24059	3.3
246.68961	0.5
267.23352	1.6
268.46933	0.6
277.98505	0.6
283.22910	1.1
285.03464	0.7
285.24341	100.0
286.24658	5.6
304.72672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2436
Annotation	17-hydroxyheptadecanoic acid
Peak:m/z	Relative Intensity
59.01377	100.0
61.98831	6.0
77.36230	2.6
85.02921	2.7
92.92820	8.0
94.92502	2.7
97.06311	2.3
97.57389	2.3
116.92864	5.1
117.58917	2.2
134.89441	3.8
170.53404	2.4
285.03986	3.5
285.24347	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85131	9.7
59.01371	15.5
61.98820	19.5
69.66869	32.7
98.22533	19.3
122.03729	17.1
132.23787	9.1
137.06062	50.5
142.87685	10.3
149.58141	12.0
188.49623	10.4
193.90198	9.4
231.19611	12.0
243.10233	100.0
256.06967	18.9
271.09201	25.3
272.10168	10.1
286.06848	10.8
286.11685	29.6
287.09277	18.4
287.12729	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01369	0.9
64.34609	0.4
65.41345	0.4
69.13428	1.6
69.13844	0.8
70.02974	0.4
70.45220	0.4
73.13104	0.4
74.06099	1.8
76.98064	0.4
78.46059	0.4
94.53224	0.4
98.02435	0.4
100.54317	0.4
107.05031	5.0
109.46383	0.4
117.07077	0.6
118.05114	0.9
136.01602	0.4
181.69109	0.4
225.20952	0.4
240.23375	2.6
242.21219	1.6
242.25021	0.4
252.50310	0.4
268.22726	0.9
284.22296	0.5
286.23868	100.0
287.09222	1.0
287.16501	0.8
287.24243	6.4
303.72507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
53.87426	1.9
57.03432	6.3
59.31871	1.9
65.00314	2.1
65.03938	1.9
69.03418	2.8
69.78118	6.4
72.48869	1.9
75.26026	1.7
76.74238	2.0
77.03965	3.2
81.03416	2.8
83.01389	23.1
93.03452	9.8
95.01369	4.3
97.02949	5.0
98.11188	2.1
101.06630	2.2
107.05026	5.0
108.02158	6.5
109.02946	37.1
119.04978	2.2
121.02950	30.3
123.04501	2.2
124.01678	16.7
125.02443	58.1
131.05006	2.3
133.02942	4.5
135.04507	17.0
137.02437	100.0
138.03221	2.1
141.48735	1.9
143.22673	2.0
145.06587	6.2
146.03755	3.3
147.04483	8.2
148.05254	3.2
149.02428	43.7
149.06039	6.3
150.03239	13.9
151.04033	16.4
155.05023	4.0
157.06528	3.0
158.03693	4.8
159.03319	3.3
159.04500	29.7
161.02451	16.5
162.03180	3.2
164.01114	7.2
165.01929	30.8
171.04436	3.0
172.05316	17.3
173.02364	2.7
173.06058	26.5
174.03229	10.1
174.06532	2.6
175.03995	51.7
176.04745	5.3
177.01917	10.9
177.05574	15.5
182.03699	3.3
183.04486	12.3
185.05983	2.2
188.04643	2.6
189.05527	11.3
191.07123	8.6
196.05267	2.6
197.06013	7.7
199.04034	5.8
199.07585	2.7
200.04770	6.7
201.01886	2.5
201.05554	58.1
203.03494	16.6
204.04033	3.0
212.75165	2.0
213.05537	4.2
215.03589	2.2
215.07155	13.1
217.04979	15.3
219.06609	20.3
225.05583	11.2
227.03450	3.9
241.05055	8.4
242.05643	2.3
243.02875	5.4
243.06619	27.2
245.04564	9.4
258.05219	11.5
259.06082	65.6
269.04465	14.2
287.05579	95.5
288.05798	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
51.03527	2.3
57.03435	10.1
63.98528	1.9
65.03957	2.7
67.01883	2.8
67.18217	2.3
69.03466	4.1
69.14658	13.0
69.24436	2.3
70.11916	2.1
77.03957	4.2
78.49237	2.0
81.03480	2.8
83.01383	17.2
93.03452	12.7
94.03349	2.3
94.70213	2.1
95.01360	2.9
97.02951	4.8
98.21786	3.7
107.05019	6.7
108.02174	3.7
109.02947	38.9
111.00844	2.7
119.05006	2.8
121.02945	34.7
123.04530	3.0
124.01657	10.2
125.02441	73.6
133.02942	5.4
135.04501	9.3
137.02441	100.0
138.03238	2.9
145.06599	2.6
147.04515	9.3
149.02432	51.3
149.06090	5.7
150.03174	7.8
151.04021	19.7
155.05069	2.6
157.06671	2.8
158.03731	5.0
159.04488	17.3
161.02454	22.6
162.03163	5.4
164.01126	8.8
165.01913	32.5
171.04552	4.1
172.05302	10.5
173.06050	22.4
174.03206	3.4
175.04007	47.0
175.07689	2.3
176.04662	4.0
177.01891	9.3
177.05521	14.4
183.04526	5.7
187.03954	3.7
187.07639	3.0
189.05589	13.4
191.07106	6.7
197.06111	6.8
199.04001	9.8
200.04752	4.3
201.01773	3.1
201.05571	50.8
203.03464	14.6
213.05571	3.1
215.03543	2.5
215.07132	14.8
217.05006	15.6
219.06604	24.8
225.05574	9.6
227.03499	3.4
241.05138	6.6
243.03035	7.6
243.06586	22.6
245.04478	9.2
258.05341	7.4
259.06091	52.4
269.04550	15.6
287.05600	97.1
287.08795	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	287.056
Annotation	Robtein
Peak:m/z	Relative Intensity
57.03438	9.8
59.01370	7.0
65.00325	1.7
65.03953	3.4
67.01859	3.1
68.97246	1.1
69.03445	3.9
73.02933	3.1
74.05634	1.1
77.03981	2.5
81.03443	2.8
82.95369	1.0
83.01383	15.0
83.05010	1.6
85.02932	1.9
89.03903	1.5
92.49969	1.0
92.52925	1.0
93.03446	13.1
95.01382	3.8
95.05004	2.0
97.02940	4.4
97.06606	1.7
99.00906	1.1
107.01403	1.7
107.05006	8.1
108.02174	4.3
109.02946	39.8
111.00895	2.7
111.04496	2.0
115.05537	1.6
119.04974	2.1
120.02205	1.4
121.02960	32.5
122.03735	4.5
123.04522	4.3
124.01677	9.9
125.02442	79.5
126.02774	1.9
129.05553	2.1
130.04266	1.8
131.05002	2.3
133.02960	4.4
135.04541	12.2
136.01617	2.0
137.02438	98.5
138.02908	1.4
143.05008	1.4
145.06627	2.6
147.04564	9.6
148.01683	1.2
148.05266	3.9
149.02443	46.0
149.06079	4.7
150.03252	10.2
151.00391	2.2
151.04005	29.5
155.05067	2.4
155.71422	1.1
157.06532	1.5
158.03685	3.3
159.04535	15.0
161.02444	30.9
161.06079	1.9
162.03104	5.1
163.00359	1.8
163.04008	1.5
164.01126	8.6
165.01935	32.4
169.06619	2.1
171.04535	3.2
172.05270	10.3
173.02426	1.8
173.04585	3.1
173.06039	18.9
174.03232	7.4
174.06456	1.1
175.03992	43.0
176.04773	5.8
177.01942	11.1
177.05560	12.0
179.03477	2.4
182.03679	1.6
183.04518	7.2
184.05151	1.4
187.07562	1.7
189.05548	8.3
191.07144	6.1
196.05231	1.9
197.06082	6.2
197.48241	1.2
198.03241	1.5
199.03999	8.0
199.07739	1.9
200.04807	6.8
201.01865	3.4
201.05560	38.9
202.05923	1.7
203.03474	13.5
204.04262	3.3
213.05556	3.3
215.03639	1.9
215.07155	8.6
216.04254	1.9
217.05040	11.6
219.06606	22.1
225.05605	9.1
227.03497	3.1
228.04224	1.7
231.06657	1.3
241.05046	8.9
243.02975	6.4
243.06619	18.7
244.03632	1.5
245.04539	8.3
258.05334	7.3
259.06082	50.9
260.06439	2.3
269.04541	16.7
269.13901	1.8
271.05170	1.6
272.05865	1.3
287.05573	100.0
287.08237	6.9
287.14938	14.0
287.18152	2.0
288.06079	5.1
288.14868	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	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
54.48796	0.4
58.71097	0.3
59.01372	0.9
63.02391	2.1
65.00321	11.4
68.72909	0.3
71.55341	0.3
73.23775	0.3
83.01383	5.2
96.16543	0.3
100.41182	0.3
107.01389	16.2
107.05038	0.4
108.01675	0.4
108.99246	0.3
109.02946	2.5
125.02439	3.8
134.03764	1.8
135.04520	100.0
136.04840	2.9
151.00365	89.8
152.00642	1.9
161.02423	0.7
165.01860	0.5
169.01399	1.4
177.01932	0.6
199.13313	0.6
227.12946	0.4
269.04495	0.7
287.05594	16.1
288.05911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
55.10690	0.6
57.03443	15.0
59.01384	2.1
61.98827	0.6
63.02397	4.1
65.00320	8.4
65.03980	0.6
67.01917	0.6
79.60203	0.5
81.03458	3.9
83.01384	11.1
93.03458	2.9
94.22238	0.5
96.02213	0.6
98.22690	1.1
99.92582	0.7
107.01393	8.1
107.05033	1.4
108.02197	0.9
109.02947	2.9
111.00893	0.6
116.56872	0.5
116.92848	2.3
117.03478	0.8
121.02947	1.9
123.04527	2.0
124.01664	3.3
125.02444	100.0
126.02769	2.0
129.61168	0.6
131.05046	3.2
133.02930	3.2
134.03717	1.6
135.04506	2.3
137.02437	2.5
145.02922	1.0
149.02448	1.0
149.06114	0.8
151.00375	11.9
152.01173	10.4
153.01952	4.1
155.53923	0.6
156.05794	1.9
157.06552	2.1
158.03819	0.8
159.04518	1.3
165.01938	1.1
169.01480	1.2
169.06612	0.6
171.04514	0.8
172.05298	1.8
173.06052	6.1
175.03998	1.5
176.01117	1.3
177.04018	1.0
177.05563	15.5
178.99866	5.2
180.00589	2.0
180.05846	0.6
181.06512	0.7
185.11842	1.5
195.10216	1.3
197.06084	1.1
199.03951	1.0
199.07718	2.5
200.04649	0.7
201.05571	10.1
203.03505	1.1
213.05550	1.9
213.11313	1.2
215.07095	5.6
219.06651	1.9
225.05626	0.9
240.06180	0.5
241.05130	3.0
243.06616	19.5
243.09091	1.2
244.06982	1.2
259.06100	69.6
260.06436	2.6
269.01874	0.6
269.04465	4.0
287.05603	62.4
287.14694	2.8
288.05951	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	287.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21062	0.5
58.29097	0.5
59.01371	1.6
69.80582	1.9
98.22610	0.7
112.18816	0.6
132.04529	1.2
144.04549	0.8
145.04106	0.5
155.07217	0.6
157.07689	2.1
173.03516	5.3
181.07762	0.7
183.05632	10.6
184.06058	0.7
186.14690	0.5
191.57059	0.5
199.08733	0.6
215.04611	35.6
216.04915	0.8
225.06596	1.0
243.07730	4.8
287.06729	100.0
288.07022	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	287.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
59.01370	1.4
61.30972	0.7
69.03448	1.9
70.75391	1.1
71.01385	2.6
71.05018	1.1
72.99336	0.9
73.02943	16.7
74.02464	0.9
78.95906	1.7
81.03442	1.7
83.05021	3.8
85.02953	4.4
87.00880	8.3
87.04519	14.4
88.04067	1.0
88.98804	1.1
91.54562	0.7
93.03459	37.9
96.96961	1.0
99.00876	5.2
99.04520	5.5
111.04521	19.2
113.02468	6.6
114.05570	0.9
115.00366	1.4
115.03967	3.8
116.07234	1.1
119.05401	1.0
129.01970	1.2
131.03510	34.5
131.08344	0.8
133.01434	2.7
137.02435	11.1
143.03506	3.2
155.03525	10.0
158.04486	0.9
159.02968	4.3
160.94160	1.0
173.04552	100.0
174.03433	0.8
174.04822	1.3
196.98605	5.5
198.01607	1.1
212.98105	2.1
214.01274	1.8
223.56703	0.7
287.08063	0.9
292.15613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03443	2.4
59.01386	6.7
69.03452	4.5
70.33775	1.7
71.01363	2.0
73.02945	22.9
75.46000	0.9
81.03451	2.9
83.05019	8.6
85.02969	5.1
87.00876	6.2
87.04511	29.4
93.03454	54.0
99.00873	6.6
99.04521	7.4
111.04514	23.9
111.08104	1.5
113.02441	17.0
115.03939	1.2
123.04533	3.0
123.08146	1.4
129.01953	3.6
131.03503	47.9
137.02441	16.9
143.03528	3.9
149.69656	1.4
153.05513	1.5
155.03502	9.7
159.01236	2.3
167.03487	1.3
167.07158	1.6
173.04547	100.0
174.04893	2.7
271.28378	1.1
287.07645	1.3
287.14908	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	287.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.4
62.71195	3.9
69.29859	10.5
69.30243	9.9
71.01406	6.9
71.61718	4.3
73.02943	15.5
74.71726	4.5
83.05036	9.4
85.02934	6.9
87.00848	4.1
87.04523	24.6
93.03453	36.3
99.04519	11.9
111.04496	20.1
111.08141	15.4
113.02458	7.0
115.04024	6.1
116.28024	4.9
116.92866	7.4
125.02426	6.6
130.08749	13.5
131.03514	39.5
133.01433	5.1
137.02466	14.3
137.09709	5.0
143.03510	26.3
145.03612	7.2
147.03337	13.4
155.03458	9.8
155.07140	16.8
158.40126	4.5
158.48511	4.2
158.99753	6.5
166.08214	5.4
167.07024	4.6
170.99953	9.0
171.01511	16.0
173.01263	57.0
173.04533	100.0
186.99298	13.4
189.98047	7.2
198.99130	6.0
199.06149	6.9
204.95860	10.5
214.98662	26.6
217.00305	17.2
226.98587	9.3
227.00563	9.1
229.00255	6.4
287.00806	36.5
287.04370	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	287.0925
Annotation	IRIFLOPHENONE TRIMETHYL ETHER
Peak:m/z	Relative Intensity
52.86031	0.5
59.01368	1.5
69.13132	0.9
69.13544	1.9
97.46935	0.5
107.05028	1.0
136.77997	0.4
143.08638	0.5
143.58931	0.4
172.05344	0.8
173.06010	0.5
175.03963	0.4
185.06042	0.9
186.06882	0.8
187.03969	0.8
189.05530	0.5
197.06123	1.3
198.06876	1.0
199.07681	3.8
200.08487	3.0
203.07074	0.7
210.60547	0.5
212.04851	1.4
213.05603	0.6
227.03526	2.4
227.07079	2.2
228.07967	1.0
229.05075	0.8
230.05959	0.8
238.03299	0.5
240.04276	7.9
241.05026	4.5
243.02946	0.8
243.06577	0.7
255.06627	16.8
256.06824	0.8
257.08243	1.2
258.05295	3.1
259.09561	0.5
272.06772	1.0
287.09238	100.0
288.09579	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	287.0926
Annotation	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
Peak:m/z	Relative Intensity
52.40174	1.8
53.95478	2.3
55.01863	3.9
59.01377	9.5
67.19498	1.9
69.52833	4.8
69.53217	4.1
72.72334	2.1
81.03466	10.3
102.47466	1.9
108.02175	1.9
109.02977	3.2
121.02924	3.0
121.55302	1.9
122.03745	49.7
123.04543	3.1
135.04468	2.1
137.06076	42.6
139.03952	4.0
147.68959	1.9
151.03925	3.1
181.12386	4.5
183.12958	2.9
201.09045	2.3
211.07610	2.2
215.10774	3.5
217.08604	12.2
225.09236	4.0
228.07671	2.1
243.10248	100.0
244.10529	5.2
259.09735	3.6
261.11282	19.7
287.06219	1.9
287.09216	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	287.0925
Annotation	10-Methoxyyagonin
Peak:m/z	Relative Intensity
59.01373	7.8
59.89036	1.8
61.98833	2.8
81.03440	11.7
83.05037	10.8
85.78470	2.1
87.26833	2.1
93.03465	5.0
106.04246	8.4
108.02167	40.4
109.02962	27.9
114.89088	2.4
121.02946	5.6
122.03775	2.2
126.25137	2.5
136.01677	30.4
137.02470	5.1
141.07074	2.7
157.06621	2.4
158.07411	5.1
167.05032	5.5
169.06529	5.2
173.09686	5.9
183.08163	4.2
184.05170	3.3
185.06073	4.0
199.07677	2.8
205.98166	2.3
209.06168	4.9
211.04109	2.8
211.07605	28.2
212.04660	2.8
213.05489	4.0
227.10751	4.4
228.07953	2.7
229.05011	7.3
239.03467	2.8
243.10239	72.8
244.07672	2.2
244.10561	5.3
255.06581	4.9
257.04578	7.5
259.09677	11.6
272.04028	2.6
272.06870	17.4
272.09961	4.3
287.09250	100.0
287.12457	5.1
288.09698	7.7
299.91150	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	287.1285
Annotation	Stilbostemin G
Peak:m/z	Relative Intensity
50.28531	0.3
51.46173	0.3
53.63369	0.3
55.01863	0.9
59.01375	4.6
69.20706	1.9
76.01585	0.3
93.03439	0.8
107.05036	0.5
121.02956	17.2
122.03737	0.6
123.00844	0.4
125.02438	0.6
129.35857	0.3
132.61243	0.3
135.04515	7.1
136.05302	28.4
137.05704	0.5
139.03972	0.7
151.04001	1.2
151.07637	1.4
152.70691	0.3
157.06538	0.4
165.05530	0.7
168.04314	0.7
173.06158	0.5
183.13904	4.8
184.05428	0.4
185.06047	0.7
195.08206	0.4
196.08926	6.4
197.06062	0.6
211.07626	1.3
213.09177	0.7
226.06381	1.0
231.10202	0.6
239.07199	0.9
240.07858	1.7
241.08693	2.3
242.05891	0.7
243.06564	1.0
243.10326	0.6
255.10266	0.6
256.07281	0.6
257.08179	2.3
271.09717	0.4
272.10526	18.9
273.11026	1.0
277.56631	0.3
287.12878	100.0
288.13193	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	287.129
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
59.01387	1.3
77.29939	0.7
83.05041	0.8
106.04230	3.5
109.02957	1.0
111.04517	1.5
116.72050	0.6
123.04524	44.3
124.04892	0.7
135.04517	0.8
138.22177	0.8
148.05309	2.7
151.04007	100.0
152.04803	36.7
153.05608	4.5
163.07619	0.7
164.35570	0.8
165.05571	1.2
178.36523	0.6
183.01762	0.7
195.08212	0.8
199.07658	2.3
209.38199	0.7
222.79526	0.8
237.09235	0.9
237.46559	0.6
239.07181	2.0
244.02058	2.5
245.11847	0.8
254.09442	3.7
257.08139	1.5
267.05771	0.8
269.11813	14.0
272.10535	92.2
273.10794	4.6
287.04175	3.6
287.12875	80.6
288.13202	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	287.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54049	0.3
55.01873	1.3
69.89320	0.3
93.03453	4.6
95.05035	0.5
107.05034	1.0
109.02939	0.3
121.02951	68.9
122.03213	1.6
123.04520	0.8
135.03587	0.4
135.04520	4.1
136.05301	16.5
139.04028	0.3
147.97552	0.3
149.06125	0.4
151.04001	1.0
151.07610	1.0
157.06555	0.6
168.00995	0.3
169.39781	0.3
173.06091	0.3
185.06036	1.1
185.80565	0.3
195.08089	0.4
196.05272	0.5
196.07156	0.4
196.08939	7.4
197.09245	0.5
211.07660	1.8
212.08298	0.4
213.09181	1.3
226.06297	0.5
239.07179	1.0
240.07919	1.8
241.08643	1.8
242.05644	0.4
255.10223	0.6
256.07465	0.6
256.10510	0.6
257.08188	2.5
271.09613	0.9
272.10522	55.3
273.10913	3.1
287.12875	100.0
288.13199	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	287.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
58.71432	0.3
59.01366	0.8
74.02582	0.3
75.43694	0.3
76.84528	0.3
91.05529	0.4
92.10799	0.3
93.03451	6.4
98.22651	0.5
121.02953	100.0
122.03299	1.7
123.04550	0.5
130.30119	0.3
132.76329	0.3
134.07385	0.8
135.04521	3.6
135.62843	0.3
136.05295	7.6
137.06123	1.4
138.06416	0.4
149.02452	0.4
150.06841	2.0
165.05560	0.8
168.04327	0.5
178.06331	2.5
179.06999	0.5
211.86086	0.3
213.09175	2.0
224.04765	6.3
225.05431	0.4
225.12816	0.4
227.10756	6.7
228.11198	0.5
242.05923	0.4
257.08157	1.8
272.01483	2.8
272.10519	74.8
273.10873	4.4
283.72391	0.3
287.03894	3.6
287.09543	0.9
287.12854	20.2
288.13211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24740	0.4
65.17868	0.5
66.13638	0.4
66.37923	0.4
69.73838	0.5
69.74177	1.4
74.12070	0.4
81.91369	0.5
93.03460	0.7
95.05011	0.7
100.68935	0.5
109.09991	0.5
121.02954	12.2
122.03737	1.1
135.04546	6.1
136.05304	19.9
137.05687	0.7
150.06848	0.5
151.07616	1.3
165.05702	0.5
196.08925	7.6
197.06134	0.4
212.08441	0.5
213.09274	0.9
226.06400	0.9
239.07098	0.8
240.07947	2.9
241.08675	1.5
242.05972	0.6
255.10236	1.0
257.08234	2.8
272.10529	11.3
273.11020	0.8
287.12885	100.0
288.13293	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	287.1289
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
55.26209	0.3
55.99018	0.3
59.01368	1.6
63.32624	0.4
69.29331	1.1
69.29735	0.8
72.43483	0.4
83.05015	0.4
93.03462	5.5
97.02940	0.9
100.44785	0.4
106.04242	0.6
107.05000	0.5
121.02958	100.0
122.03237	2.7
123.04507	1.1
123.95741	0.4
125.06086	0.5
136.08755	0.4
137.06087	2.6
139.07706	0.4
149.06091	2.5
150.06868	11.5
151.03978	0.5
151.07648	3.6
153.05539	0.9
159.10143	0.4
163.07651	5.5
165.05559	8.5
166.06374	2.3
188.08447	1.6
189.09145	0.5
210.10458	1.4
211.11156	0.6
215.07106	0.6
227.10721	0.7
229.08585	0.8
243.10304	0.7
243.13655	0.4
244.10995	1.7
245.11795	1.5
254.09348	0.4
255.10248	0.5
257.08112	1.9
269.11783	1.5
271.09674	2.3
272.10532	77.1
273.10953	4.0
287.12863	52.5
288.13260	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	287.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38260	0.6
51.92626	0.6
57.50629	0.6
59.01375	3.3
61.20387	0.7
61.98825	0.9
62.45217	0.6
64.23366	0.6
66.69577	0.6
69.22086	1.1
69.22491	2.7
79.64165	0.7
96.52792	0.6
106.04297	0.7
106.61998	0.7
106.64780	0.7
107.05030	100.0
108.05351	2.4
154.61624	0.6
234.44089	0.7
258.05817	0.9
269.11847	2.7
287.12918	11.0
287.15991	0.8
287.22195	1.9
300.07938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.129
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
59.01374	1.8
61.98827	0.8
62.22348	0.7
69.53787	1.0
78.71384	0.6
99.02195	0.6
108.02171	1.2
121.02970	6.3
122.03742	53.2
122.28152	0.7
123.00858	0.7
124.01655	2.9
134.02527	0.8
135.04529	4.0
136.01660	9.9
136.04013	0.8
150.06964	0.6
165.09212	0.9
223.30397	0.7
239.07135	1.9
240.08017	0.8
255.10260	0.8
257.08240	2.7
272.10519	3.7
287.12888	100.0
287.22217	2.4
288.13147	4.9
288.15945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24104	0.3
53.73233	0.3
57.03444	0.9
58.00581	0.4
59.01377	13.8
64.99547	0.3
65.19327	0.2
69.03456	1.1
69.29356	0.6
69.29739	0.6
71.01380	12.2
71.05025	2.5
73.02943	9.9
73.03360	0.4
81.03459	1.7
82.29714	0.3
83.05023	4.6
85.02955	1.0
87.04558	0.3
95.05020	0.3
97.02953	2.3
98.21863	0.6
99.04519	2.0
101.06079	2.3
105.94809	0.3
109.06569	0.5
111.04520	0.5
112.99613	0.3
115.04018	4.1
121.06595	0.4
123.08173	4.4
125.02447	1.1
125.09737	1.1
127.03988	1.0
135.08144	0.5
137.02472	0.5
137.09697	0.5
137.13109	0.2
141.09218	15.0
142.09566	0.6
145.05074	6.2
153.09181	0.6
161.02527	0.3
163.14903	0.5
167.07130	0.5
169.08710	1.3
171.10333	0.3
189.12848	0.8
197.11819	0.9
197.67128	0.3
199.85304	0.3
207.11937	0.4
207.13895	7.4
209.11790	1.1
225.14957	6.2
233.11719	1.4
243.15994	0.5
251.12918	3.9
259.05969	0.5
269.13925	16.2
270.14139	0.5
287.14990	100.0
288.15350	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	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03438	0.8
59.01374	11.2
60.05031	0.3
61.12959	0.3
69.03448	0.9
69.20118	0.5
69.20525	1.9
71.01376	10.4
71.05029	2.6
73.02940	9.7
81.03450	1.0
83.05010	4.3
83.79108	0.3
84.17049	0.4
85.02945	0.4
97.02950	2.0
97.06585	0.4
99.04523	2.1
101.06065	2.7
111.04495	0.6
115.04013	3.7
123.08171	4.3
125.02386	0.5
125.09728	1.0
127.03999	0.7
135.08170	0.6
137.09747	0.3
141.09206	12.7
145.03976	0.6
145.05051	6.4
153.09160	0.9
163.14775	0.5
165.12857	0.4
167.07007	0.3
169.08684	1.5
189.12823	0.9
197.11809	0.8
207.13881	6.8
209.11855	1.3
213.11388	0.4
223.13371	0.4
225.14981	4.9
233.11823	1.1
243.16006	0.7
251.12886	3.0
269.13931	15.2
270.14215	0.7
286.52219	0.4
287.14981	100.0
288.15375	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	287.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19710	0.9
57.03442	1.0
59.01377	100.0
73.04778	0.9
73.71499	0.8
99.04502	2.4
165.12863	1.8
167.10751	1.0
171.01205	1.0
207.13872	3.5
209.11810	8.5
215.03499	0.9
225.14984	5.2
227.12881	50.9
228.13272	1.6
230.23705	0.9
243.06642	1.1
245.09253	1.0
251.12819	1.3
269.13922	17.0
287.14993	94.7
288.15311	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	288.0765
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
50.18715	0.4
59.01379	9.9
71.40438	0.4
74.02452	0.6
84.08157	0.4
87.00858	0.8
90.97127	1.2
97.02971	0.5
101.47189	0.4
130.08737	100.0
131.09071	1.6
132.98209	1.8
140.40997	0.4
141.98210	1.1
158.04622	0.6
160.97662	1.0
174.99239	1.2
184.97769	0.5
186.99184	0.6
187.98769	0.8
202.98717	0.6
212.70474	0.5
213.33649	0.5
229.00310	1.5
244.04987	2.4
244.13026	0.5
246.06548	3.0
288.07645	66.0
289.08105	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.92129	0.3
59.01360	1.4
61.98801	1.0
62.54335	0.3
65.21189	0.3
67.72027	0.3
77.91322	0.3
81.03441	1.5
92.05055	1.0
93.03451	1.4
107.03798	0.4
108.02180	0.5
108.04552	3.9
109.02946	4.3
121.03008	0.4
127.86996	0.4
134.02475	31.3
135.03288	7.5
136.04039	33.4
137.02444	1.4
137.04311	0.3
138.48601	0.3
139.21635	0.3
148.04028	1.1
149.04791	1.3
169.92160	0.4
176.03511	3.9
177.04259	0.7
190.05061	0.7
204.06659	0.5
216.89249	0.3
260.16476	0.3
288.16034	100.0
289.16385	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	289.068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.1
59.01374	1.7
67.03004	2.5
69.03454	18.1
70.02974	6.4
70.03381	2.1
71.01376	17.3
72.00919	0.9
74.02464	1.8
78.95902	20.6
79.75307	0.6
83.06151	0.7
84.04552	0.8
85.02939	7.2
85.04044	0.9
86.02458	1.9
87.00838	1.1
88.04037	39.0
93.03445	2.0
95.02502	16.6
96.00919	10.5
96.04534	1.1
96.95990	2.4
96.96954	48.9
98.02465	3.1
101.02435	0.8
109.01704	1.7
111.00893	3.5
111.01979	0.8
111.04562	0.7
112.01668	9.2
112.04054	4.2
112.05172	15.7
112.08766	1.1
112.91454	0.8
113.02445	11.9
113.03550	9.0
113.07196	1.5
114.01964	8.9
114.05604	8.4
115.00371	31.6
123.08613	0.7
125.07212	1.1
127.04030	1.7
131.04626	4.3
131.08260	100.0
132.03021	76.5
132.08640	1.7
138.97906	0.7
139.01517	1.1
141.06520	0.7
141.10315	1.3
146.04698	0.8
149.07173	1.2
156.04182	3.4
156.07776	20.8
157.01408	12.5
157.02600	1.1
157.06218	1.9
158.27148	0.7
166.09959	0.8
167.08287	1.3
173.10425	30.7
183.07756	1.8
184.06183	0.7
185.09309	8.9
191.05609	68.5
192.05927	1.8
199.00134	2.4
199.07152	0.8
200.10425	1.0
209.10486	2.7
210.06816	0.7
210.08836	17.8
211.07236	22.4
227.06810	1.7
227.11475	32.3
229.08279	7.2
245.12480	1.1
253.09406	10.6
271.06146	7.4
271.10461	78.0
272.10745	1.9
289.03345	3.9
289.06393	0.8
289.11539	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.8
69.03430	1.2
69.51063	0.6
69.53050	2.8
81.03446	5.8
83.01395	4.2
93.03458	3.3
95.01374	1.0
95.05030	6.8
96.21800	0.6
97.02946	11.7
99.04505	0.8
108.02161	0.8
109.02950	42.9
111.04481	0.8
121.02962	5.3
122.03706	3.4
123.04524	31.2
125.02443	24.9
135.04565	3.6
137.02444	15.4
138.03215	1.6
139.04001	6.8
145.02948	2.8
146.03729	2.5
149.02422	5.8
150.03183	3.1
151.04008	11.8
157.06587	0.7
159.04506	6.9
160.05304	3.4
161.02452	1.5
161.06079	7.3
162.03207	2.6
163.03981	2.6
164.01158	5.0
165.01923	6.0
167.03458	3.1
173.06091	1.6
174.03198	1.2
175.03978	3.6
175.07658	3.3
177.05556	1.5
179.03473	10.5
185.06105	1.4
187.03999	7.3
188.04776	5.1
199.07689	1.3
201.05490	1.5
202.06334	3.1
203.07143	19.0
205.05060	15.3
206.05386	0.7
212.04823	1.1
221.08195	7.3
227.07098	3.7
230.05904	0.9
245.08171	31.8
246.08574	1.4
271.06067	1.6
289.07169	100.0
290.07602	5.0
291.65799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0715
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03446	4.8
69.03445	1.3
71.29416	0.9
80.02670	0.8
81.03458	5.6
83.01381	5.5
93.03454	2.9
95.01373	1.4
95.05030	6.8
97.02952	11.7
108.02176	2.0
109.02949	46.0
110.03251	1.0
119.05093	0.7
121.02933	5.7
122.03739	3.8
123.04518	34.5
125.02448	23.4
125.03190	0.5
133.02924	0.9
135.04558	3.3
137.02434	13.8
138.03181	2.2
139.04025	7.1
145.02946	1.6
146.03658	1.6
149.02403	6.3
150.03210	1.9
151.04007	15.0
157.06552	0.8
159.04503	4.9
160.05267	3.2
161.02437	1.5
161.06123	6.6
162.03217	2.5
163.03972	1.1
164.01152	4.9
165.01884	6.1
166.02667	1.1
167.03494	2.9
173.06085	2.7
175.04021	3.2
175.07628	3.2
176.01604	0.7
177.05516	1.3
179.03482	9.6
185.06039	1.2
187.04010	6.3
188.04756	6.3
199.07637	0.9
202.06384	2.9
203.07118	18.5
204.07413	0.7
205.05035	11.8
212.04678	1.1
221.08162	5.2
227.07077	2.6
230.05804	1.3
231.02928	1.2
245.08177	30.9
246.08461	1.4
247.06058	0.9
271.06085	1.2
289.07159	100.0
290.07492	4.1
292.34912	0.7
294.23477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.1
69.03443	1.2
69.58640	1.2
69.59022	1.8
80.02659	1.2
81.03454	5.9
83.01383	5.0
84.38575	0.7
85.42726	0.7
93.03458	2.8
95.01406	1.1
95.05021	7.7
97.02947	12.5
98.22529	1.6
99.04530	0.8
107.05043	1.4
108.02142	1.5
109.02947	50.8
121.02975	5.7
122.03741	3.6
123.04524	34.6
125.02445	32.1
135.04517	3.3
137.02432	15.9
138.03160	2.3
139.03995	7.0
145.02936	3.1
146.03705	1.6
147.04506	1.3
149.02434	8.6
149.70613	0.9
150.03233	1.4
151.04010	17.4
159.04527	5.3
160.05273	3.7
160.25752	0.8
161.02470	2.1
161.06075	9.4
162.03198	3.7
163.03992	2.6
164.01131	6.8
165.01950	6.2
166.02734	1.0
167.03468	3.6
173.06078	2.7
174.03178	1.6
174.06702	0.8
175.03979	3.6
175.07635	3.2
179.03497	11.2
185.06049	1.8
187.04007	6.9
188.04767	8.5
199.07672	1.2
201.05551	1.6
202.06378	3.5
203.07135	24.2
205.05045	15.0
212.04767	1.3
217.05035	0.8
221.08144	8.0
227.07166	4.3
230.05960	1.3
231.02864	1.1
245.08171	34.4
246.08604	1.0
247.06175	2.1
271.06186	1.6
289.07169	100.0
290.07538	4.0
290.11163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
68.99763	0.7
69.03420	0.7
69.99040	1.3
80.02682	0.6
81.03458	4.1
83.01394	4.2
93.03459	2.0
95.01405	1.3
95.05025	5.2
97.02950	9.1
108.02151	1.6
109.02951	34.7
110.03289	1.1
119.38758	0.6
121.02947	4.6
122.03745	2.3
123.04523	22.2
124.04829	0.6
125.02444	23.4
133.93947	0.6
135.04538	2.3
137.02444	13.0
138.03235	1.4
139.04013	5.5
140.28654	0.6
145.02921	2.0
146.03755	1.5
147.04510	0.6
149.02448	5.5
150.03229	1.4
151.04021	11.3
159.04520	3.0
160.05244	2.3
161.02386	0.7
161.06041	5.6
162.03227	2.1
163.04008	1.1
164.01163	4.3
165.01926	4.9
166.02747	0.8
167.03476	2.6
173.06070	1.1
174.03259	0.7
174.06853	0.5
175.03990	2.6
175.07643	1.9
179.03497	9.6
180.04015	0.9
185.06114	1.5
187.04028	5.9
188.04790	4.0
192.67625	0.6
192.92773	0.5
199.07480	0.8
201.05539	1.3
202.06372	3.1
203.07140	15.2
204.07510	0.6
205.05029	11.8
212.04836	0.8
221.08157	5.5
227.07091	3.0
230.05801	0.9
231.02882	0.8
245.08185	29.9
246.08554	1.4
247.06085	1.4
271.06171	1.2
289.07175	100.0
290.07510	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	289.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
59.06652	1.0
67.01870	1.7
69.03442	2.8
70.44954	2.0
73.02930	1.3
75.00896	1.0
81.03435	1.8
83.05016	3.9
93.03458	2.2
95.05033	1.7
97.02956	17.3
98.22583	1.2
106.37894	1.0
107.05023	18.6
109.02973	1.3
109.06586	19.8
111.04506	6.8
113.02502	1.1
119.04974	1.5
121.02928	1.4
123.04491	2.1
125.06103	5.2
135.04533	11.6
137.02429	2.5
138.03227	1.2
139.03983	3.5
151.03999	96.9
152.04349	2.6
153.05571	100.0
154.05904	1.9
167.03532	1.4
179.03526	5.3
183.14665	1.0
194.05852	7.5
194.07300	1.3
207.50050	1.2
209.08157	10.9
242.24080	1.3
248.01045	1.1
256.53976	1.1
258.49750	1.3
289.10840	3.6
289.16528	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	289.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65377	1.0
59.01381	20.6
61.98850	1.1
70.14945	2.5
71.05019	1.4
75.84259	1.1
83.05023	2.6
91.05526	2.2
93.02930	1.6
93.03462	16.0
93.30285	1.1
96.48988	1.1
106.04243	100.0
107.04602	2.2
108.02162	6.0
111.04594	1.5
121.02958	5.0
121.06583	12.2
122.03291	1.9
123.04522	8.2
125.02432	9.1
137.02484	1.0
138.03203	15.9
144.73720	1.1
165.05576	5.2
169.10204	4.4
185.73808	1.1
213.09225	11.1
215.30841	1.0
217.12282	1.8
245.11850	10.2
274.06717	2.0
274.10983	2.5
289.13818	1.4
289.18085	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01389	1.1
69.48318	0.6
83.05032	2.3
85.06590	41.2
86.06918	0.9
91.42520	0.6
99.00872	0.9
101.02436	5.6
115.05495	0.8
131.05026	8.1
143.08644	2.0
161.09718	100.0
162.10075	4.4
171.08192	1.4
175.70258	0.7
185.16740	0.6
217.12338	15.9
227.10736	1.6
271.09613	0.9
289.07333	1.2
289.10852	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	289.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59078	0.7
57.03445	10.2
58.93845	0.6
59.01378	9.2
69.11813	4.1
71.05013	9.7
85.06588	8.1
95.05024	1.4
96.75217	0.8
97.06598	3.8
98.29272	0.7
99.08176	0.7
109.02934	2.2
111.08156	1.0
113.09718	5.7
116.92848	1.0
123.04539	1.9
123.08074	0.9
125.02442	0.9
137.02493	1.4
139.11273	1.1
141.09177	1.9
141.12856	1.6
151.03949	0.8
167.14403	1.9
169.12376	1.4
179.03511	0.8
181.15939	1.5
183.13887	18.1
185.15459	100.0
186.15791	5.1
203.06990	1.0
205.05164	0.8
227.16508	16.6
228.16867	1.3
229.14442	4.5
245.08174	2.2
271.02631	0.9
289.07083	6.3
289.16547	38.1
289.21719	1.7
290.16888	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.4
101.41175	2.4
106.04222	13.7
119.04999	3.2
121.02946	6.0
130.60509	2.7
143.98561	2.4
153.13429	2.6
165.12860	10.1
185.03745	18.0
218.38690	2.4
232.67014	2.7
247.16936	15.3
270.90164	2.4
273.18576	3.0
277.53720	2.6
291.07925	100.0
291.16037	25.6
291.19644	61.0
292.08224	3.8
292.19873	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	291.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37352	0.6
59.01382	3.7
61.71912	0.6
71.01381	1.5
73.02950	0.7
80.96543	0.8
85.02949	13.1
87.00874	1.8
87.04488	0.7
93.03443	1.0
96.18940	0.5
98.00053	0.6
101.02420	1.0
113.02434	0.7
115.04013	5.9
117.03468	20.0
117.37367	0.6
119.05028	100.0
120.05385	2.3
123.04585	0.6
127.03992	2.0
129.05537	0.7
143.03488	0.6
145.02954	94.5
146.03317	2.6
159.03006	8.4
161.06137	0.7
163.04010	92.4
164.04318	2.9
181.24776	0.6
187.04021	2.5
291.08713	36.9
291.18057	1.0
292.09021	2.0
292.15494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0876
Annotation	Picrotoxinin
Peak:m/z	Relative Intensity
54.36824	0.8
55.01874	1.2
59.01379	13.3
69.03458	1.0
71.05023	0.9
71.85438	0.7
73.02930	0.9
77.64803	0.8
78.02902	0.7
81.03458	0.8
83.05025	2.9
85.06590	22.9
85.09016	0.8
93.03454	8.0
97.06590	19.6
99.04623	0.9
106.04243	15.6
107.05038	6.2
108.02180	0.9
109.02936	0.8
112.93755	1.2
119.05025	6.4
121.02890	0.7
122.03722	1.4
122.79404	0.8
123.04521	6.2
127.04021	1.3
140.81032	0.9
143.05046	2.5
147.08162	32.4
157.06567	1.4
159.08130	14.3
159.09322	0.7
160.08516	1.2
162.06877	1.2
169.06784	0.7
173.06049	0.8
183.08159	3.2
185.09660	4.8
201.09232	6.3
203.07262	7.0
203.10774	100.0
204.11098	4.0
209.04556	1.0
229.08694	8.5
247.09734	22.0
248.10074	1.3
249.13422	1.7
291.08826	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	291.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
60.97501	0.4
61.98821	0.2
71.20715	0.2
74.99075	1.2
93.00121	0.4
102.53452	0.2
119.05023	0.3
121.02964	0.5
126.09438	0.2
127.00117	0.3
134.99464	0.2
136.97327	0.2
149.00978	1.9
161.06367	0.9
163.03995	0.4
174.56842	0.2
179.36531	0.2
183.69168	0.2
187.42822	0.2
192.98169	1.2
206.99654	0.5
208.64745	0.2
209.01245	3.8
209.04436	0.3
217.07211	1.7
223.02905	0.3
225.00771	0.4
247.17065	0.2
254.85628	0.2
275.05930	0.8
289.07544	2.6
291.09085	100.0
292.09225	8.8
309.10132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78654	0.9
57.03482	0.8
59.01379	100.0
59.24825	0.8
69.40523	3.7
71.01388	6.2
73.02937	2.1
80.96469	1.0
83.01398	2.1
85.02945	3.4
93.03451	1.0
99.00860	1.4
101.02458	7.3
113.02448	3.1
119.05003	1.3
123.04510	1.0
125.25143	1.0
161.04579	1.7
163.04070	1.1
177.01855	1.4
185.33044	1.1
191.05663	1.1
247.09610	1.6
249.13458	8.3
286.20721	1.0
291.08997	1.9
300.63245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01381	5.4
73.02956	2.9
78.36978	0.6
83.01401	1.2
85.02944	3.1
101.02429	5.7
107.61961	0.6
113.02445	3.0
114.43945	0.5
116.05630	0.6
119.05021	1.0
145.03055	0.8
161.04575	1.9
163.04065	0.8
171.10249	1.0
249.13449	8.2
291.14389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.46167	0.6
64.37304	0.5
70.24092	0.7
70.98851	0.5
71.01381	4.9
73.02940	2.3
83.01375	1.5
85.02957	2.8
99.00891	1.0
101.02455	6.4
113.02464	1.5
139.60698	0.7
149.83800	0.6
161.04585	2.6
249.13422	8.4
250.13765	0.8
285.25696	0.6
294.86276	0.8
301.66302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01362	0.9
60.50465	0.2
77.44984	0.2
95.04985	0.3
97.06578	0.4
101.94609	0.3
106.04230	0.3
111.63062	0.3
119.05020	0.6
121.02972	0.4
125.06110	0.4
134.09750	0.2
148.08911	1.5
149.09767	0.3
150.10478	0.9
150.51173	0.2
151.11250	0.8
163.11307	0.8
165.12839	22.1
166.13168	1.0
175.11278	0.7
176.12108	0.7
177.12872	0.5
182.44157	0.2
191.14432	0.7
193.58809	0.3
209.04485	0.3
217.15933	0.6
245.19084	0.4
247.20712	10.0
248.20961	1.0
261.56085	0.3
273.18594	6.0
274.18835	0.6
291.19653	100.0
292.19980	8.3
306.61093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.84224	0.5
57.03426	1.6
59.01359	1.5
61.98824	0.4
63.54019	0.3
82.14659	0.4
92.92812	0.4
93.07071	1.1
97.06567	1.9
111.08150	0.6
113.09661	0.4
119.08628	0.7
121.02988	0.6
121.10234	14.9
122.10574	0.5
123.08160	1.1
125.09723	7.3
127.07651	0.6
141.12816	0.8
147.08145	1.2
148.08952	0.4
165.12866	0.6
167.14438	0.4
185.10155	0.8
185.11819	15.6
186.12096	0.5
195.13744	0.6
197.11821	3.0
209.11829	1.1
211.13383	1.8
223.13365	1.1
224.97984	0.4
247.13426	0.6
247.20641	1.3
271.15591	0.4
273.18542	2.5
279.78040	0.4
287.41287	0.4
291.19638	100.0
292.19998	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83562	0.8
56.97715	0.9
59.01385	5.8
63.60542	1.0
63.79596	0.8
70.30441	1.4
70.30784	1.8
71.05016	28.5
92.74943	1.1
97.06577	10.1
101.06100	0.9
103.89583	0.8
112.46939	0.9
115.15562	0.9
118.01693	0.9
121.02907	1.5
162.83870	1.4
181.12273	1.6
185.65189	0.8
207.13928	3.9
209.04492	1.6
219.13876	4.2
223.22772	0.9
235.17039	3.7
241.44725	0.9
247.16933	1.5
247.20599	2.5
273.18500	1.9
291.19650	100.0
292.19971	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	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01871	1.3
57.03442	0.8
58.00565	1.4
59.01376	100.0
61.53920	0.9
69.08000	4.4
69.08427	2.4
70.82923	0.9
70.99603	0.9
71.01379	51.4
72.99274	1.5
73.02965	2.2
83.01410	1.2
85.02949	7.2
87.04501	4.4
87.99038	0.9
89.02441	82.5
95.01389	2.5
98.21894	2.0
101.01786	1.9
101.02439	28.1
104.44870	0.9
113.02440	23.9
119.03496	28.5
119.04787	1.2
125.02368	1.2
131.03519	9.9
143.03499	6.2
149.04495	3.2
161.04541	6.2
164.07080	1.4
179.05591	18.6
233.06645	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0875
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01883	1.4
55.35759	1.2
57.03429	2.1
59.01374	84.5
68.99535	2.9
69.03463	10.1
69.25018	7.3
71.01376	50.7
78.95893	3.2
83.01389	2.3
85.02941	9.3
87.00868	4.1
87.04504	3.4
89.02437	67.3
91.18991	1.4
93.03461	1.9
94.47449	1.4
95.01374	3.8
96.96001	1.9
96.96918	4.6
101.02432	20.7
102.94389	2.2
105.24222	1.4
106.71346	1.6
111.00880	1.4
112.01659	28.8
112.98531	2.2
113.01704	2.7
113.02444	39.7
114.05610	1.4
119.03496	21.5
121.51355	1.4
129.66602	1.4
131.03514	9.0
143.01997	3.3
143.03487	3.3
143.35443	1.4
149.04546	2.3
150.98029	2.7
161.04568	4.4
168.99088	1.9
173.04471	1.9
179.05602	19.4
182.81995	1.4
191.05574	16.5
192.53294	1.5
194.96997	100.0
195.97375	3.2
196.99393	2.9
223.03786	2.2
232.03673	2.8
233.06519	1.8
268.25656	1.5
293.12363	16.4
294.03629	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
54.27096	1.1
58.00608	1.7
59.01378	100.0
69.03440	1.3
69.70064	2.8
69.70424	2.6
71.01379	53.8
72.99310	1.5
74.79636	1.2
76.83185	1.4
83.01398	1.4
85.02940	6.9
87.00890	2.0
87.04518	4.8
89.02444	85.4
95.01379	2.2
98.01041	1.3
98.21880	1.6
101.02442	20.7
113.02451	24.0
119.03513	23.1
131.03505	9.6
143.03471	4.2
149.04588	3.0
161.04561	6.1
179.05598	21.4
210.25493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
57.03442	2.6
58.00582	1.9
59.01376	100.0
60.01722	1.4
61.88231	1.2
71.01379	52.6
72.99310	3.1
73.02952	2.9
83.01385	2.9
85.02957	11.9
87.00885	2.9
87.04524	3.4
89.02444	71.2
92.91724	1.1
93.03463	1.6
95.01388	4.1
101.02444	27.3
113.02449	24.3
113.90306	1.2
117.89172	1.1
119.03503	25.7
131.03523	8.4
131.05038	18.1
131.07098	3.1
143.03497	5.3
149.06076	35.2
161.04512	5.2
174.06851	1.2
179.05640	13.6
183.70316	1.4
217.25946	1.4
293.12787	7.6
294.17035	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03440	0.9
58.00577	0.7
59.01376	100.0
69.03455	0.8
69.30788	3.2
71.01379	48.1
72.99293	1.9
73.02943	2.5
77.27983	0.8
79.00862	0.7
83.01399	2.5
85.02946	8.2
85.06594	1.0
87.00860	1.6
89.02440	59.3
90.02797	1.1
95.01408	2.1
98.22574	1.8
101.02438	30.0
101.03103	1.6
109.02932	1.3
113.02449	20.4
113.06100	3.0
119.03500	29.3
121.33219	0.7
122.09743	0.7
130.08734	1.6
131.03516	3.6
131.07147	5.3
131.55827	0.8
143.03503	4.0
149.04524	1.5
161.04552	3.2
166.95244	0.8
167.14461	1.0
177.16443	0.8
177.93631	0.7
178.15919	0.8
179.05615	3.4
203.14319	0.7
205.08661	2.2
212.21004	0.8
232.17043	5.7
249.07611	1.0
250.18076	9.6
276.16010	1.3
276.69287	0.7
293.12387	48.0
293.15079	2.6
294.17084	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87575	0.6
54.71444	0.6
55.01875	1.1
57.03450	0.6
58.00582	0.9
59.01378	55.6
68.54140	0.7
68.99789	0.8
70.70288	0.8
71.01379	23.4
73.02944	1.5
83.01393	1.8
83.05007	0.8
85.02943	6.4
85.06587	14.8
87.00897	1.0
89.02444	23.8
93.03509	0.6
95.01369	1.6
96.99308	0.8
100.00394	1.6
101.02443	15.0
107.04968	0.7
109.06659	0.6
113.02446	9.5
113.06098	4.4
115.07648	1.5
119.03493	9.8
127.07645	2.2
130.08749	1.6
131.03438	0.9
131.07141	62.4
132.07535	0.6
137.09697	1.3
148.00487	1.0
148.06300	1.5
153.86449	0.7
161.04568	1.4
163.02736	0.8
163.04025	0.8
173.08212	1.4
178.05046	0.9
179.05571	1.3
232.17030	1.1
235.01814	0.6
250.18082	1.0
293.12427	100.0
294.06290	1.7
294.12827	4.3
294.17123	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	293.1758
Annotation	Embelin
Peak:m/z	Relative Intensity
51.21324	0.3
58.30184	0.2
59.01390	0.4
64.03691	0.2
69.49810	0.2
69.57478	0.9
69.57857	0.5
70.97991	0.2
71.01365	0.3
79.95733	0.6
81.26481	0.2
92.50745	0.2
95.01389	0.8
96.02167	5.8
96.96011	19.1
98.22664	0.3
111.00872	1.1
120.72633	0.2
123.00902	2.3
124.01669	9.7
128.01164	0.4
152.01154	7.8
165.01869	1.4
166.02707	2.2
184.00145	0.6
192.11530	0.6
193.15988	0.4
195.17592	0.5
205.12332	0.3
218.09503	0.3
220.14624	2.7
221.15439	6.2
222.15802	0.3
236.10555	4.1
237.10896	0.3
257.90500	0.3
262.35538	0.3
265.18079	5.5
266.18277	0.5
270.04141	0.3
293.17627	100.0
294.17966	6.6
299.78278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Agglomerin C
Peak:m/z	Relative Intensity
59.01358	0.2
69.74660	0.6
71.01379	6.8
71.85389	0.2
73.02941	0.2
85.83524	0.2
96.96014	0.2
127.07613	0.2
141.53485	0.2
148.05356	0.9
164.08403	1.0
177.09198	4.7
190.10010	0.3
191.10771	0.2
192.11549	6.7
193.12167	0.7
205.12328	7.1
207.13795	0.3
217.08691	0.7
218.09467	1.7
220.14676	46.3
221.15446	100.0
222.15785	5.0
235.13362	0.2
236.10530	66.8
237.10939	3.6
293.17590	11.0
294.17804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1757
Annotation	Embelin
Peak:m/z	Relative Intensity
59.01361	0.4
69.55939	0.4
69.56312	0.4
75.42711	0.3
83.23886	0.3
95.01391	1.2
96.02163	6.9
96.96006	1.1
97.18025	0.3
99.65489	0.3
101.23297	0.3
107.20983	0.3
111.00880	0.8
123.00869	2.7
124.01657	11.5
128.01175	0.3
138.03201	0.3
152.01146	11.8
153.01868	0.4
165.01945	1.2
166.02725	2.6
184.00069	0.6
195.17513	0.9
212.49632	0.3
262.39200	0.3
265.18063	7.2
266.18347	0.5
275.16562	0.4
293.17572	100.0
294.17932	5.8
302.49988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.98798	0.7
68.20113	0.5
69.11623	3.2
71.01383	0.9
72.29850	0.5
72.62299	0.5
96.02185	1.1
96.95974	0.8
98.22697	1.0
115.98746	0.5
124.01689	2.4
136.08995	0.6
141.09203	0.6
142.16093	0.5
150.10507	1.3
152.01140	2.1
165.01944	0.6
165.12863	1.5
166.02620	0.6
169.08662	0.5
177.09143	0.7
192.11493	1.5
193.15962	1.2
197.29811	0.5
200.41687	0.5
205.12383	0.7
220.14661	4.7
221.15457	8.8
229.24013	0.5
236.10474	6.5
237.11201	0.5
249.18547	1.0
249.19807	0.6
249.22169	5.6
251.27631	0.5
265.18088	1.4
275.20203	1.4
293.17609	24.2
293.21176	100.0
294.17810	1.9
294.21509	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34224	0.4
54.75064	0.4
55.15933	0.5
57.45715	0.4
59.01376	0.5
61.98797	0.7
62.25935	0.3
67.11613	0.4
70.97845	0.5
71.01370	0.9
81.25834	0.5
96.02164	0.6
102.77202	0.4
123.00883	0.4
124.01628	1.5
125.22832	0.4
151.11272	0.4
152.01140	1.1
177.12846	3.5
178.13531	1.0
181.76593	0.4
192.11571	0.8
193.15921	0.9
220.14650	2.2
221.15442	6.1
236.10518	4.7
249.22179	3.5
265.18082	0.5
275.20035	0.9
293.17657	14.5
293.21158	100.0
294.17947	1.0
294.21457	7.1
294.47864	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85511	0.7
59.01361	1.1
61.98825	1.4
71.01379	1.5
72.99311	0.9
92.21431	0.8
96.02161	0.8
96.96006	2.5
102.26938	0.7
122.05412	0.7
123.00854	1.6
124.01665	5.0
125.09795	0.9
139.11272	2.2
152.01140	2.7
153.12843	1.6
163.76189	0.7
191.18077	3.2
192.11566	1.6
193.15869	1.8
205.12318	1.0
220.14664	7.9
221.15465	16.6
222.15869	0.9
224.14076	0.9
236.10551	13.7
245.18909	0.8
247.20700	2.5
265.18094	2.8
293.17578	40.9
293.21173	100.0
294.17773	2.7
294.21521	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.4
59.01363	2.4
59.47580	0.5
69.22623	1.3
69.23021	2.3
97.06583	0.9
109.06564	1.0
113.09729	18.3
114.99077	0.5
139.11293	2.1
148.50015	0.5
163.52316	0.5
167.10760	2.2
177.12851	1.3
179.10851	1.2
194.26628	0.6
195.13937	2.9
223.74146	0.5
249.22244	2.4
275.20181	0.9
285.20773	0.6
293.21225	100.0
294.21588	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
61.81263	0.5
69.14422	3.3
74.81888	0.5
97.06584	1.5
123.08177	1.0
125.09737	4.3
133.72575	0.6
141.12872	1.3
149.09698	1.7
185.11832	9.2
197.11838	3.0
221.15405	0.8
236.10504	0.5
249.22266	0.7
259.11432	0.6
275.20203	0.8
278.16037	0.6
293.21225	100.0
294.21512	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01367	1.6
65.97061	0.9
71.21693	0.9
111.08123	0.8
114.32145	0.9
179.14516	1.5
195.13884	12.9
196.14622	3.6
205.12323	0.9
205.16116	0.9
223.13412	13.0
224.14140	2.5
256.13123	4.4
275.20163	7.8
293.21231	100.0
294.21570	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66928	1.3
59.01362	4.9
59.87333	1.4
61.98820	8.8
62.57460	1.7
75.97438	1.3
83.69901	1.5
86.38982	1.5
89.41958	1.4
92.92822	3.5
94.50948	1.6
105.55877	1.6
121.02951	2.0
124.01702	2.9
136.08922	2.5
151.11226	2.2
152.91721	4.6
169.12263	3.0
177.09280	1.8
192.11510	3.5
193.15984	3.2
194.92865	2.5
197.11810	37.3
220.14664	7.8
221.15436	18.5
222.15691	2.3
231.21263	1.7
236.10542	14.0
249.18530	1.9
257.90237	1.8
265.17917	2.0
275.20187	24.7
281.27316	1.6
293.17596	26.6
293.21158	100.0
294.21503	7.5
296.69354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37537	1.0
59.01371	4.6
61.98817	2.9
67.30566	1.0
69.41457	1.0
69.52873	4.5
71.01384	2.9
88.66573	1.1
96.02220	1.1
96.96061	1.3
97.06554	1.6
98.21922	1.8
99.08122	1.4
113.64449	1.1
132.66222	1.3
136.08893	1.7
152.01122	1.4
152.91747	2.2
169.87265	1.2
191.14468	1.7
192.11555	2.9
193.15985	3.1
209.15451	100.0
210.15852	4.6
220.14627	8.9
221.15446	18.5
231.21089	3.9
236.10509	14.0
242.96738	1.1
249.18649	1.5
249.21216	1.1
275.20132	64.7
276.20532	3.7
293.17587	13.2
293.21133	69.9
294.17599	1.7
294.21542	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	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.28160	1.6
59.01372	3.3
69.10728	4.8
69.11153	4.8
121.10230	37.9
125.09721	2.1
128.43359	1.9
171.10266	62.0
172.10605	2.7
173.08159	1.4
176.67203	1.5
177.16565	1.9
181.77925	1.6
183.13873	10.0
185.11806	3.6
211.13467	2.2
231.21182	6.9
275.20151	100.0
276.20401	7.9
293.18158	2.9
293.21210	88.6
294.21561	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01369	2.1
61.98817	6.6
69.29713	2.1
69.30123	4.5
71.01383	1.7
77.71371	1.4
81.62188	1.2
92.92802	2.0
95.01391	1.5
96.02166	3.9
96.96014	1.9
113.62400	1.5
118.28075	1.4
122.89445	1.6
123.00871	3.8
124.01646	10.7
125.09714	2.6
149.09711	1.4
152.01134	10.5
153.04236	1.3
165.01920	1.4
166.02719	2.9
184.00157	1.8
185.11850	7.6
193.16003	1.7
194.92799	2.0
197.11800	1.9
220.14732	6.6
221.15417	16.8
234.85608	2.0
236.10468	10.2
257.90234	2.5
265.18088	5.9
275.20209	1.6
293.17575	100.0
293.21204	75.7
293.87860	1.6
294.17957	6.8
294.21561	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	294.0983
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
59.01369	1.4
62.73241	0.4
63.56800	0.4
70.02972	1.5
71.01380	13.6
72.00887	0.4
88.04037	100.0
89.04377	1.1
96.99320	3.5
114.01963	3.4
115.00371	22.2
118.65769	0.5
119.04978	1.0
123.25101	0.4
128.05061	2.9
130.06599	0.5
132.03041	8.4
144.04550	12.6
146.06122	71.5
147.04529	3.8
147.06430	2.2
148.89326	0.4
164.07130	2.5
169.46552	0.5
174.09239	0.5
175.46901	0.5
178.08730	9.8
179.07135	29.7
180.07515	0.9
224.20259	0.5
232.09792	2.0
235.52818	0.4
250.10834	22.9
251.11238	1.5
276.08737	3.9
294.09833	62.8
295.10165	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	294.0985
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
59.01372	1.3
65.76148	0.6
69.03442	1.2
69.20398	1.7
69.20784	1.3
72.65868	0.5
73.02945	0.6
85.02939	0.9
88.04019	1.1
89.71803	0.8
95.37797	0.6
103.65852	0.7
107.03773	7.2
108.04597	1.5
110.02401	0.6
110.06097	0.7
111.04543	1.5
113.02420	0.9
122.06129	0.8
124.07673	1.8
134.06134	3.2
135.06905	1.4
136.07681	45.2
137.08009	1.5
145.05385	0.7
146.06224	0.6
147.03259	1.7
160.07576	0.9
161.04831	1.5
162.05606	13.9
164.07166	1.9
176.07144	0.8
177.07947	11.2
180.05142	1.4
180.06671	20.0
188.10809	11.1
204.10243	7.6
206.11853	39.9
207.12123	1.9
209.06946	2.3
214.30470	0.6
232.07411	1.4
232.09773	27.8
233.10144	1.4
250.10785	5.1
253.56581	0.7
294.09842	100.0
295.10114	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	294.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12630	9.3
59.01377	51.2
63.08786	8.2
64.17941	8.1
69.45931	35.7
71.01385	25.9
73.02935	10.4
74.02483	17.4
74.10676	8.2
78.95901	33.2
87.05608	8.5
89.02446	14.6
96.96001	42.7
113.02431	24.1
113.03596	8.6
115.04002	76.1
119.05029	15.5
120.71781	8.9
132.04601	8.4
136.93202	18.6
152.91733	38.6
159.02977	100.0
176.07167	11.6
196.01283	9.1
196.98610	35.5
199.00984	66.9
206.95465	10.7
219.84427	10.9
222.96754	16.5
236.97397	8.3
251.11357	29.7
294.10730	15.7
294.95285	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	294.1709
Annotation	Lycoposerramine F
Peak:m/z	Relative Intensity
69.03442	0.4
69.44019	1.3
70.02963	1.3
71.01380	2.4
84.04538	0.5
97.06596	0.4
109.85603	0.4
110.06150	0.4
110.57768	0.4
116.14012	0.4
121.06676	0.4
122.09763	0.9
122.74622	0.4
138.09261	1.7
147.08145	1.0
149.09709	0.6
165.05948	0.4
167.14388	2.0
176.14339	0.7
177.16486	2.1
178.12352	0.6
178.15976	1.6
194.15425	0.8
202.12460	0.6
208.13397	0.5
214.16071	0.7
230.15506	0.6
232.17064	9.9
233.17380	0.6
250.18114	19.6
251.18518	1.2
276.16046	3.0
294.17099	100.0
295.17346	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	294.2073
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
53.60300	0.4
54.24475	0.4
57.03435	1.7
59.01362	0.5
63.34576	0.4
71.01384	0.4
71.05014	1.6
81.04935	0.4
83.05019	0.5
87.04509	1.9
97.02934	0.4
98.03730	22.0
98.22630	1.4
98.38936	0.5
132.04550	0.5
151.28922	0.4
211.17168	0.4
223.70119	0.4
232.20685	1.9
248.20139	3.4
258.18594	0.5
261.17392	0.5
274.18085	2.9
276.16583	1.1
276.19672	21.2
277.19901	0.6
292.19220	1.8
294.20731	100.0
295.21085	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	294.2074
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
54.65739	0.2
55.56865	0.3
57.03442	1.0
69.03448	0.8
69.27082	1.5
71.05031	0.4
71.84697	0.3
73.93944	0.3
79.04398	0.2
85.06584	3.4
90.38524	0.3
92.44157	0.3
97.06615	0.4
99.08147	0.5
111.08149	1.4
113.09724	6.1
136.75151	0.3
137.06076	0.5
138.09250	0.4
194.15430	0.3
205.05168	0.3
206.15523	0.9
222.18608	4.7
234.18733	0.4
248.20215	0.6
250.21747	17.1
251.22078	1.0
276.19678	1.5
294.20731	100.0
295.08261	0.4
295.21057	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	294.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32252	0.3
57.03445	4.5
59.01373	0.3
61.77923	0.3
64.09914	0.3
64.31767	0.3
67.26826	0.3
69.03455	1.4
70.48548	0.4
70.48882	0.6
73.01751	0.3
82.02962	0.5
83.05022	0.3
85.06585	16.9
86.06918	0.3
88.77582	0.3
101.02443	0.4
109.54005	0.3
111.04523	0.6
111.08151	9.6
113.59103	0.3
129.01935	1.1
161.05899	0.3
164.07260	0.4
219.47502	0.3
221.67110	0.3
234.18747	0.5
248.20134	0.6
250.21756	8.5
251.22157	0.4
276.08521	0.4
276.19687	6.3
294.20721	100.0
295.21045	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	0.5
69.50139	0.4
70.82304	0.5
71.01385	1.3
101.02460	1.1
113.02458	0.7
138.51445	0.6
161.04541	0.7
233.17462	0.7
235.11859	3.3
245.99692	0.5
281.68954	0.5
295.17426	5.6
296.18283	0.5
299.78864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
59.01379	2.7
60.96069	0.9
61.98825	1.5
66.39629	1.0
71.01385	1.2
75.11646	1.2
97.06564	2.0
113.09741	3.3
115.07650	1.2
126.06839	1.5
128.61218	1.0
139.11258	1.4
141.09235	3.5
150.03358	1.0
151.11339	1.4
151.94862	1.1
153.09326	1.1
153.12889	1.8
163.11148	1.0
165.12848	4.1
167.10742	3.0
169.12381	2.1
177.02060	1.1
178.02730	4.3
179.10872	1.7
179.14378	2.7
181.12328	2.0
195.10388	1.0
197.11835	3.2
226.12135	2.8
233.19124	7.6
249.18640	1.2
251.20152	1.2
252.70914	1.0
259.17023	2.4
267.19687	1.2
277.18097	35.3
277.69714	1.1
278.18436	2.3
278.35510	1.1
295.09845	12.7
295.19153	100.0
296.19565	6.1
305.37784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.38192	0.5
55.69199	0.5
59.01373	1.1
59.11708	0.4
71.78331	0.5
83.05026	1.0
87.52101	0.4
88.73315	0.5
92.82182	0.5
98.95608	0.7
123.36084	0.6
127.11288	1.5
127.27439	0.5
141.12845	8.6
148.19339	0.5
155.14406	3.9
178.02724	0.6
179.03310	0.6
188.63309	0.5
197.84784	0.5
219.25592	0.5
249.22234	9.0
277.21573	0.6
295.09668	1.7
295.22760	100.0
296.23120	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.13882	1.4
59.01375	3.5
61.98821	3.7
116.92889	1.6
124.51658	1.4
150.19031	1.4
152.91864	2.1
160.47711	1.6
178.02629	1.7
203.32478	1.4
265.21622	2.3
277.21756	3.8
295.09842	5.9
295.22742	100.0
296.23083	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	295.2277
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
59.01372	7.8
61.98825	2.5
69.09766	9.8
90.35475	1.3
111.08185	1.8
113.09732	3.7
120.13081	1.4
121.94421	2.0
157.08702	69.4
158.09001	2.2
160.11195	1.4
178.02747	2.4
195.13892	2.2
209.15532	1.4
223.61781	1.8
259.20795	1.4
259.98877	1.5
277.21704	50.8
278.21954	3.9
282.87659	1.4
295.09717	2.2
295.22757	100.0
296.22961	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.28302	0.8
59.01381	1.5
62.83430	0.8
79.39258	0.9
81.31379	0.8
88.36243	0.8
151.11223	1.0
171.10257	33.8
195.13893	1.7
203.50563	0.9
207.91977	0.9
215.71872	0.8
277.21725	40.9
278.22034	2.6
282.27872	0.8
295.22763	100.0
296.22958	4.3
311.96021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.36877	0.9
57.03437	0.8
59.01372	1.6
60.70057	1.0
61.98829	1.2
69.83745	1.8
69.84103	1.9
75.28447	0.8
78.00152	0.8
90.45862	0.8
96.27288	0.9
114.92624	0.9
143.07120	2.9
171.10263	24.5
173.38501	0.9
195.13898	6.4
277.21701	31.4
278.22067	2.0
279.09232	1.4
295.09772	3.0
295.22772	100.0
296.23239	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	295.2277
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
55.96049	1.3
59.01373	2.6
66.37168	1.3
70.11170	3.6
86.11330	1.5
87.11342	1.5
131.78455	1.4
134.17993	1.3
174.88651	1.4
178.02718	2.1
195.35739	1.3
209.15457	54.9
212.82858	1.5
223.16997	10.3
237.18622	3.3
246.25000	1.5
277.21698	66.8
278.22055	4.2
295.09763	3.3
295.22751	100.0
296.23138	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03428	1.4
57.51325	0.8
59.01363	1.9
64.85427	0.8
69.10623	0.7
70.97089	0.9
94.85294	0.7
113.09715	3.2
163.94281	0.8
175.07230	0.8
179.14374	1.2
184.26793	0.8
195.13904	22.2
277.18704	1.2
277.21732	20.4
278.22107	1.1
295.22778	100.0
296.23132	6.2
299.60590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.14977	0.8
52.33959	0.9
54.34459	0.9
59.01384	1.6
71.17483	1.1
87.08760	1.0
88.35216	0.9
113.85761	0.9
125.09721	1.4
141.12923	1.4
171.10257	45.2
183.10248	3.3
195.13977	1.5
251.23828	1.3
277.21701	54.0
278.22052	3.5
295.22772	100.0
296.22961	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01368	3.2
60.33460	0.8
69.37438	3.2
86.05446	0.6
90.05779	0.6
95.02921	0.6
95.39824	0.7
98.21864	1.3
99.08129	0.7
102.95325	0.7
110.11085	0.7
113.09741	2.2
129.09297	1.0
156.21806	0.8
178.02678	0.7
179.14458	1.6
183.13893	3.0
193.74011	0.8
195.13908	23.4
205.26845	0.7
233.22780	0.7
277.21713	20.0
278.22153	1.1
293.21155	0.9
295.10022	3.2
295.22772	100.0
296.23151	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	296.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37989	0.4
57.03446	1.2
59.01371	1.4
61.98801	0.7
69.34899	2.3
71.05008	1.6
87.04515	1.7
92.13586	0.5
98.03732	23.5
98.22594	0.9
134.04718	1.1
158.91605	0.5
185.71153	0.4
201.08080	0.4
219.05132	1.7
221.68678	0.4
234.22273	3.0
237.06151	1.3
250.21725	3.2
260.20108	0.8
268.45163	0.6
276.19669	3.4
277.20248	0.6
278.21234	22.9
279.21536	1.2
294.20633	2.8
296.22281	100.0
297.22568	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.4
65.00316	4.4
65.03943	1.2
67.01888	3.3
69.24015	7.0
70.43030	1.1
71.01382	9.9
78.01119	1.2
81.03456	12.2
93.03436	7.5
109.02944	12.6
115.00344	2.0
120.99305	1.6
122.00091	14.4
123.00893	3.4
123.01777	1.1
137.02437	97.1
138.02782	2.1
153.01912	1.9
155.03481	24.8
181.01413	100.0
182.01802	3.3
213.27400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29392	1.1
59.01369	2.8
61.75465	1.1
65.00317	4.1
67.01904	1.7
71.01375	9.0
81.03459	7.4
93.03452	4.8
98.92117	1.0
109.02959	10.4
115.00394	4.5
120.99303	2.8
122.00129	12.2
123.00890	2.7
124.85855	1.0
137.02440	83.5
138.02769	2.0
149.36540	1.3
153.01915	3.5
155.03488	21.6
172.97675	1.1
181.01419	100.0
182.01767	3.7
208.99142	2.2
213.55200	1.4
253.11768	1.8
267.06595	2.6
287.83847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58527	1.1
57.21095	1.1
59.01381	1.6
60.57804	1.1
65.00322	3.9
67.01880	1.4
69.14303	5.6
71.01376	12.7
81.03462	13.2
90.02731	1.2
93.03467	7.4
98.22602	2.6
109.02943	12.8
113.06107	1.6
115.00383	4.4
117.72878	1.2
118.38089	1.3
120.99342	1.5
122.00104	12.8
123.00900	5.8
133.02979	1.7
133.05209	1.1
135.04515	14.2
137.02444	100.0
138.02834	1.4
150.03244	1.5
153.01962	2.7
155.03488	25.2
160.44589	1.1
177.09253	1.3
181.01422	93.0
182.01765	2.7
297.13593	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	297.025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
60.01727	1.0
64.93895	0.9
65.00317	3.8
67.01893	2.3
69.34389	3.3
69.83829	0.9
70.80569	1.0
71.01377	9.6
74.52044	1.0
79.18997	1.1
81.03448	13.3
93.03436	6.1
109.02960	12.2
115.00375	5.8
120.99331	1.2
122.00092	12.6
123.00893	5.0
133.02963	1.3
134.02547	1.9
134.03693	1.2
135.02841	3.9
135.04510	14.0
137.02437	88.1
138.02779	1.6
152.63048	1.1
153.01907	2.4
154.78023	1.0
155.03494	24.1
181.01416	100.0
182.01758	3.6
242.37549	1.2
297.09668	1.9
297.13190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
69.39114	1.1
69.52274	3.8
73.55074	0.9
74.99078	4.4
82.93037	1.0
89.04271	6.4
92.54871	0.9
93.00113	1.6
129.63652	0.9
133.79030	1.0
137.02455	1.3
149.00960	40.3
150.00967	1.3
181.01462	2.0
183.01176	2.7
206.99704	1.6
208.97707	1.2
223.02829	5.5
253.29019	1.0
264.98453	21.2
265.98666	1.1
269.24747	1.5
281.01599	4.7
282.01682	1.2
282.99615	2.1
296.22964	5.8
297.04718	100.0
297.15274	7.3
297.24274	16.8
298.04797	10.6
299.02682	9.0
300.02988	1.0
301.00555	1.5
315.05740	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58128	1.3
59.01371	2.6
74.99093	2.5
89.04267	9.9
121.06610	14.0
128.96161	1.4
137.02441	1.8
149.00966	43.0
163.11278	14.9
163.12521	2.1
174.90083	1.5
181.01395	2.5
183.01212	5.6
223.02890	5.4
226.79108	1.6
251.23862	3.3
264.98474	22.6
269.24805	2.0
279.23499	3.4
281.01590	3.4
282.99591	2.4
297.04715	100.0
297.15302	14.2
297.18607	14.3
297.24304	33.2
298.04721	9.3
299.02655	7.5
301.00552	1.7
315.05887	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	297.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03655	0.7
57.55309	0.6
59.01365	2.3
69.22176	1.8
69.22584	1.2
71.01380	21.3
83.01378	0.6
95.01371	4.0
96.96014	1.4
98.21835	1.0
101.02438	0.6
107.05016	0.8
115.00376	10.9
121.05374	0.6
122.03735	5.0
123.00841	0.8
135.04523	0.6
137.02428	0.7
137.06079	40.1
138.06409	1.3
181.01598	1.9
181.05061	100.0
182.05377	3.7
198.29352	0.6
243.80952	0.6
297.13568	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	297.0615
Annotation	D-Prephenyllactate
Peak:m/z	Relative Intensity
59.01368	2.0
62.29988	0.4
67.01889	2.3
69.03445	0.8
69.58113	0.5
69.64474	1.4
71.01381	27.3
81.76098	0.5
83.05002	0.6
93.03476	1.0
95.01378	1.1
97.02927	0.6
107.01364	2.0
107.05032	0.9
111.00868	2.0
111.04520	0.6
113.02456	1.1
115.00375	13.1
116.24771	0.5
119.72848	0.5
121.02937	0.6
122.03738	3.4
123.00868	0.8
123.04528	27.6
124.04868	0.9
125.02438	0.8
129.05559	1.7
137.02490	1.0
137.06091	3.0
137.09747	0.5
138.03169	0.7
139.07628	0.9
151.07634	0.8
165.12814	1.0
166.02718	1.5
176.80806	0.5
181.05070	100.0
182.05405	4.0
209.11792	3.0
253.10728	1.1
294.03467	0.5
297.06287	0.7
297.09729	2.1
297.17899	0.9
297.24316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37601	0.5
57.65584	0.5
59.01372	1.4
71.06178	0.8
76.66201	0.5
78.95900	50.3
84.99500	0.5
96.96962	7.3
122.67957	0.5
125.64682	0.5
127.02308	0.5
143.10770	5.9
150.98015	1.5
152.99580	100.0
153.99939	1.5
171.00626	3.1
172.28343	0.5
210.69951	0.6
297.04117	1.3
297.11038	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	297.1131
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
59.01370	1.0
79.37225	0.7
83.81689	0.9
210.10483	0.9
225.09190	52.3
226.09483	2.9
253.08685	46.5
254.09438	27.3
255.09850	1.5
268.11026	8.4
269.11752	6.3
281.08170	3.0
282.08957	48.6
283.09335	2.6
297.11301	100.0
297.20578	3.6
298.11606	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38930	1.2
57.03460	1.9
59.01378	100.0
65.29878	1.1
67.95170	1.4
69.03452	1.5
69.46394	1.2
70.12761	1.2
71.01381	36.2
71.05009	1.8
71.40656	1.4
72.99290	2.1
73.02944	7.9
78.95901	4.6
83.01373	3.5
85.02941	13.6
87.00864	3.1
87.04498	1.7
89.02446	41.5
95.01393	2.9
96.95988	7.6
97.02989	2.3
99.04512	7.3
101.02442	24.5
105.01957	2.1
113.02453	14.7
115.03999	13.2
117.05593	1.6
119.03514	11.7
131.03514	2.7
135.04550	11.6
135.05447	1.5
135.05635	1.8
135.06622	18.5
137.02435	4.7
143.03499	31.7
150.85608	1.2
152.91740	4.0
152.99579	4.2
155.01999	1.7
155.03375	1.7
159.02969	5.2
161.04547	31.4
171.01596	1.5
172.99380	2.3
179.05606	10.9
181.01392	4.9
185.02985	1.7
196.98518	2.6
197.06674	2.2
198.98361	3.2
199.00121	21.8
201.02510	3.5
207.05142	1.6
215.00551	2.4
225.06259	1.5
237.09796	10.1
253.05635	2.5
259.01868	1.3
278.95093	4.3
296.96393	6.4
297.05078	7.4
297.08838	1.6
297.11911	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	297.1859
Annotation	Przewalskin D
Peak:m/z	Relative Intensity
59.01397	1.0
67.23254	0.4
79.58799	0.4
98.21776	0.9
103.87457	0.5
181.01413	0.5
253.12396	1.3
254.13086	2.7
267.13892	9.1
268.14352	0.9
281.15457	12.6
281.18439	1.0
282.16238	61.3
283.16528	4.1
297.18567	100.0
298.18878	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	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50103	1.1
57.53403	1.3
59.01380	2.4
70.30342	2.7
76.08241	1.4
87.59951	1.1
91.02520	1.2
99.85904	1.1
125.09717	4.2
147.08200	3.1
153.12888	2.2
154.09985	2.4
163.11264	4.9
176.04854	6.2
191.07138	9.8
208.03870	1.8
214.89815	1.3
221.70064	1.5
235.20686	3.6
279.19659	80.3
280.20078	4.1
297.07953	2.2
297.11343	21.6
297.20712	100.0
298.11670	1.9
298.21014	4.4
302.19113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.207
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
54.61489	0.7
59.01378	2.5
64.32442	1.1
64.32803	0.8
69.67731	2.1
69.68098	2.0
71.05035	1.3
83.05000	1.0
91.01923	1.1
104.48722	0.9
111.08163	3.0
119.77222	0.9
124.31138	1.2
127.64677	0.9
128.89978	1.0
139.11278	2.2
149.09724	6.2
150.10489	1.2
165.12860	1.9
167.10753	2.6
167.14395	2.0
168.11549	3.9
175.04042	2.6
176.04787	9.1
202.35149	1.0
208.03812	2.1
214.89655	1.1
235.20709	6.2
236.20975	1.3
254.09464	1.1
269.08090	1.8
279.19644	100.0
280.19958	6.7
297.07925	1.5
297.11334	20.1
297.20712	92.0
298.11737	1.6
298.21017	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	297.207
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
59.01361	0.8
70.63815	0.5
76.54194	0.3
83.57049	0.4
90.81519	0.4
97.06577	0.7
97.84939	0.4
113.09718	0.9
115.07645	1.8
117.52857	0.4
125.09725	0.6
127.07652	0.8
128.08449	1.0
147.33626	0.4
150.20262	0.4
153.12843	2.7
169.12343	3.1
181.12328	10.0
197.11827	1.1
199.13383	1.3
213.87752	0.4
228.13713	1.3
235.20644	0.6
251.20190	1.4
253.21774	0.9
279.19647	8.5
280.19794	0.6
282.05371	0.6
297.07587	1.5
297.20694	100.0
298.20996	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	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12949	0.7
57.03445	1.0
58.31738	0.7
59.01375	2.3
61.82922	0.7
64.04955	0.7
70.44115	1.2
81.51561	0.7
83.05026	1.7
110.78410	0.8
111.08156	7.3
125.09688	0.9
125.69719	0.7
127.07661	4.0
139.11273	1.6
141.12814	1.8
155.14386	0.8
157.08714	1.0
163.99094	0.9
171.13962	0.8
172.20398	0.8
181.15982	3.4
181.17418	0.7
183.13982	0.7
185.11856	1.4
186.09006	1.3
209.09789	1.8
225.22246	0.8
233.19115	0.9
235.20680	9.5
251.20151	2.0
253.08698	5.0
253.21730	2.1
254.09439	4.5
261.18625	1.0
267.06638	4.3
279.19586	6.7
281.08478	1.2
282.08878	1.5
297.11407	9.7
297.20691	100.0
298.20981	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	297.2432
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.81905	2.0
59.01367	2.9
61.98809	5.5
70.16920	4.8
72.70122	2.0
87.66815	1.8
90.53981	2.0
98.64261	2.0
99.92596	2.6
119.94623	2.9
120.53387	2.2
123.73739	1.8
183.01210	8.7
197.02667	2.2
200.56841	1.8
215.96103	2.8
225.91685	2.2
239.86183	2.5
251.23808	25.2
297.15259	27.6
297.24310	100.0
298.15475	2.9
298.24677	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.66766	1.1
54.08814	0.9
59.01350	1.4
60.61511	0.8
109.67368	0.7
111.08215	1.1
137.02444	1.2
154.01115	0.7
157.08708	11.9
169.12270	1.1
181.01408	1.7
183.01204	5.9
215.00487	1.0
244.06520	0.8
279.23285	15.1
280.23660	1.3
297.15262	14.2
297.24329	100.0
298.15646	2.5
298.24701	7.7
300.16687	0.9
310.02646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92398	0.3
55.16397	0.4
59.01367	0.8
59.32835	0.3
60.05995	0.3
60.97231	0.3
61.98813	0.7
66.80891	0.3
70.43616	0.8
73.37345	0.3
78.95879	0.4
98.22593	0.3
125.13006	0.3
163.45549	0.4
172.88583	0.5
183.01199	9.8
184.02003	4.2
197.02678	0.5
214.89650	0.8
215.95973	1.0
216.01080	0.8
220.67029	0.3
251.23878	1.0
266.69391	0.5
279.23270	1.3
295.22763	1.3
297.15308	28.8
297.24335	100.0
297.82404	0.4
298.15552	1.6
298.24683	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.29083	1.6
59.01363	1.8
61.10951	1.2
72.69882	1.3
77.02773	1.3
77.81848	1.4
78.22679	1.3
82.88148	1.2
83.02479	1.3
89.79204	1.3
137.04312	1.5
156.92981	1.4
169.12309	4.7
181.01385	3.1
183.01190	16.8
183.13867	3.3
184.02020	2.8
197.15466	2.6
212.12097	2.6
215.95993	1.6
240.84984	1.4
279.23160	7.2
297.15240	33.7
297.18613	16.5
297.24323	100.0
298.15695	3.3
298.24695	7.3
301.10214	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.81548	0.4
59.01374	1.0
70.93643	0.5
74.55297	0.5
137.02460	0.5
141.12842	1.4
155.10780	12.1
183.01237	2.8
186.90587	0.5
261.22260	0.7
279.23282	12.9
280.23712	0.6
295.22739	1.1
297.15335	7.0
297.24326	100.0
298.15646	0.5
298.24701	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.21449	0.8
59.01357	1.4
69.27329	1.7
69.27727	2.9
75.10385	0.7
77.49371	0.7
94.92363	0.7
98.21838	1.4
129.58353	0.8
137.02420	1.2
143.31653	0.8
155.10812	1.1
171.10237	2.0
181.01372	1.3
183.01218	2.6
214.89583	1.0
253.25473	1.2
279.23172	3.8
297.04764	3.0
297.15329	5.9
297.24338	100.0
298.04669	1.1
298.24588	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	298.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19688	4.4
52.43639	5.5
53.82016	4.8
54.00588	6.9
57.68420	5.2
58.76122	4.6
59.01378	77.3
62.34646	4.7
69.33929	24.1
92.08070	5.3
98.22621	11.4
107.59498	5.1
114.05530	6.5
136.36653	6.7
144.82288	4.9
174.99203	24.8
198.57191	5.6
205.99051	5.1
207.50082	5.3
216.98454	6.7
217.00317	100.0
240.07890	42.1
255.10254	57.8
265.47879	5.4
279.85629	6.1
298.08081	6.6
299.08740	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	298.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.9
69.03431	0.7
71.01360	2.1
74.99124	0.9
85.06586	11.5
89.02445	1.2
93.03461	10.4
96.36687	0.7
97.06590	1.1
107.04991	1.4
111.04462	1.1
113.02472	5.7
115.00377	1.8
128.07199	1.2
133.01421	2.2
137.02452	18.4
137.06067	2.4
138.02783	0.7
142.12346	3.2
156.03951	1.0
174.99211	3.4
176.04013	1.4
181.01366	1.4
182.01808	2.1
210.18631	2.2
217.00301	12.3
218.15450	2.3
220.13521	1.1
232.33400	0.8
236.16551	23.0
236.18942	1.2
237.16861	1.4
238.14445	3.4
254.17601	100.0
255.17998	4.6
280.15509	7.1
298.16580	99.3
299.16943	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	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01377	4.1
69.74892	1.0
71.01361	0.8
73.02924	0.4
77.29604	0.3
83.01363	0.4
85.02930	0.5
93.03452	86.0
94.03786	1.7
101.51418	0.3
102.86407	0.3
137.02435	100.0
138.02771	2.1
174.99228	1.0
201.02559	0.7
217.00273	3.1
266.89865	0.3
299.07736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
57.03444	0.2
59.01375	1.7
65.03967	0.2
69.26717	0.6
71.01379	1.1
73.02927	0.3
82.42593	0.2
83.01396	0.3
85.02963	0.6
89.02457	0.2
93.03458	90.0
94.03783	2.0
101.02431	0.3
113.02446	0.3
121.03049	0.2
133.01419	0.2
137.02443	100.0
138.02782	2.6
138.99857	0.2
144.50003	0.1
151.83405	0.1
179.03447	0.2
217.00102	0.3
276.83612	0.1
299.07797	0.3
299.11212	0.4
300.19254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.91928	0.1
59.01378	3.0
65.84605	0.1
71.01377	0.6
74.53618	0.2
81.03449	0.2
89.02443	0.4
92.05063	0.3
93.03453	2.7
107.01395	0.3
107.84764	0.2
108.02180	0.5
109.02951	0.4
114.99655	0.1
115.00374	0.9
124.01698	0.2
133.01434	1.6
136.01643	1.9
137.02441	100.0
138.02783	2.7
139.03975	0.2
142.05165	0.2
174.99249	1.0
179.03551	0.2
183.03067	1.0
202.41531	0.2
202.76021	0.2
217.00285	3.0
220.26515	0.2
289.39932	0.2
299.07718	10.8
300.08099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51012	1.6
58.96773	1.6
59.01376	39.8
59.31052	1.5
69.47235	7.9
74.02258	1.7
77.30317	1.9
78.95903	4.5
85.79247	1.8
88.86086	1.8
93.03452	78.1
96.96958	3.7
137.02431	100.0
138.02815	2.2
146.55707	2.1
173.35242	1.8
174.99220	5.9
201.02519	18.2
217.00259	15.8
282.99240	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	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51012	1.6
58.96773	1.6
59.01376	39.8
59.31052	1.5
69.47235	7.9
74.02258	1.7
77.30317	1.9
78.95903	4.5
85.79247	1.8
88.86086	1.8
93.03452	78.1
96.96958	3.7
137.02431	100.0
138.02815	2.2
146.55707	2.1
173.35242	1.8
174.99220	5.9
201.02519	18.2
217.00259	15.8
282.99240	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	299.1036
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
59.01366	2.8
68.44920	0.6
69.16413	2.7
69.16808	1.3
83.32771	0.6
101.61556	0.6
107.83897	0.7
109.06580	1.8
120.04537	1.8
122.06110	0.9
133.05293	0.8
134.06126	5.4
145.05339	1.4
146.06038	1.0
159.05615	2.7
160.06363	0.7
163.11310	1.0
174.99139	0.7
182.06113	2.8
185.07213	5.6
196.07671	2.0
197.08487	1.0
203.07190	0.7
207.10217	5.9
210.09227	0.8
212.05913	2.9
212.10840	8.9
217.00255	2.7
225.06676	15.1
225.11336	2.9
226.07452	5.0
227.08231	2.4
227.11641	0.9
230.35887	0.8
237.10199	1.1
239.08228	6.2
240.09038	13.6
255.11375	100.0
256.11737	6.2
263.09308	1.0
284.08017	6.1
299.10333	9.1
299.14990	1.8
299.18497	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	299.1135
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01871	1.6
57.03445	0.7
58.00596	1.9
59.01375	100.0
60.01713	0.8
64.67242	0.7
64.72397	0.7
68.26680	0.7
70.91331	1.1
71.01377	45.9
72.99308	0.9
73.02946	1.7
80.05380	0.7
83.01405	1.9
85.02942	7.8
87.00887	2.1
89.02439	61.0
93.03451	9.6
93.03938	0.8
95.01369	4.3
101.02435	26.8
101.03102	1.4
107.01414	1.2
113.02441	18.9
115.00397	1.5
119.03513	24.3
119.05009	31.7
120.05386	0.8
123.03282	2.3
127.33057	0.6
131.03532	1.8
133.01459	4.0
136.05324	2.4
137.02441	17.6
137.06088	2.7
138.02747	0.9
138.04530	1.3
138.05605	26.9
139.04021	1.1
143.03513	2.8
149.04570	1.5
150.43468	0.7
161.04596	2.3
168.00699	1.1
174.99300	1.7
179.05650	3.1
180.06754	1.1
183.03041	1.8
188.88380	0.6
217.00250	5.3
234.74765	0.6
250.52313	0.7
299.07959	1.1
299.11218	4.5
300.11020	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1135
Annotation	Salidroside
Peak:m/z	Relative Intensity
52.72522	0.8
57.03431	1.3
58.00578	1.0
59.01376	100.0
60.07061	0.7
63.13882	0.7
69.54240	3.0
71.01378	47.6
71.61938	0.7
72.99296	1.9
73.02944	2.2
83.01375	1.6
84.62435	0.8
84.92632	0.8
85.02944	8.9
87.00883	1.8
89.02439	53.8
90.02737	0.9
93.03453	70.4
95.01367	2.7
101.02435	25.4
101.03104	1.4
103.13124	0.8
107.04998	1.4
113.02452	17.3
115.00357	1.8
119.03503	24.6
119.04993	11.4
120.03851	0.8
127.07683	1.3
131.03499	2.3
133.01407	4.3
136.07660	1.7
137.02437	82.5
137.06006	3.6
138.02788	2.2
138.05609	6.1
139.07678	1.0
143.03484	3.3
149.04575	2.1
161.04568	1.7
174.99266	1.4
176.29842	0.9
179.05609	3.2
183.03056	1.6
211.09749	0.9
217.00287	3.3
230.98788	0.8
255.15884	0.9
299.11380	13.0
299.14783	1.6
300.11191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1286
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
59.01371	3.3
61.12736	0.4
69.50669	1.1
82.48994	0.3
100.93995	0.4
106.04202	0.4
119.05025	3.4
121.34521	0.3
132.98239	0.3
139.03925	0.7
149.06079	2.5
150.06856	7.2
165.05580	0.6
166.06378	0.6
174.99232	1.6
177.05573	1.8
178.06345	14.9
179.06693	0.8
193.05060	1.4
195.11777	0.7
210.05327	2.1
212.08360	1.9
217.00275	3.6
227.10663	0.5
237.22356	0.4
239.10773	1.4
242.30711	0.3
251.07126	2.1
265.08743	0.7
266.09479	2.7
267.09805	0.4
271.13394	4.3
283.09769	5.5
284.10190	0.6
297.11304	2.7
299.12851	100.0
300.13217	5.4
315.86432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1288
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
51.43124	0.5
59.01379	5.0
69.14043	3.1
71.04927	0.6
76.54455	0.4
98.05212	0.5
100.27186	0.4
108.90017	0.5
148.05283	2.6
171.68922	0.5
174.99246	1.9
178.27737	0.5
210.06819	1.1
213.05511	1.4
213.09280	0.6
217.00284	6.2
223.07625	0.8
225.09114	4.7
226.06305	2.5
238.06352	1.1
240.07927	1.6
241.08664	15.9
251.07178	3.6
252.07841	2.5
253.05576	1.0
253.08670	15.3
254.05835	25.2
255.06241	1.2
266.08725	0.8
268.07474	4.9
268.10349	0.8
269.08170	100.0
270.08563	5.0
283.09683	1.5
284.10510	50.4
285.10800	2.5
299.12857	97.7
300.13214	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96563	1.1
56.86777	1.1
59.01382	27.3
69.44374	3.1
74.81205	1.0
84.75289	1.0
87.58945	1.0
126.63847	1.1
137.02484	1.6
149.06090	1.3
151.07684	2.3
174.06888	5.5
174.99222	10.8
213.05595	1.8
217.00284	33.9
218.00671	1.7
223.07578	1.9
224.08423	2.1
225.09192	4.1
226.06415	2.3
235.07697	2.7
239.07263	1.6
240.07909	1.9
241.08661	11.2
251.07120	29.0
252.07878	11.1
253.08705	15.2
254.05856	20.3
254.08771	1.9
257.08145	2.5
267.10312	16.2
268.07336	4.0
269.08185	83.6
270.08459	3.5
283.09760	1.8
284.07394	2.3
284.10544	39.2
285.10934	3.3
299.12860	100.0
300.13205	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	299.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.4
69.98074	0.2
70.48974	0.3
73.22646	0.2
81.68528	0.2
84.08169	0.3
87.04504	0.3
93.03448	0.8
130.08727	100.0
131.03494	0.9
131.08295	0.3
131.09079	2.2
131.52603	0.2
137.02429	1.5
150.03862	0.2
200.78777	0.2
201.02505	0.4
213.90036	0.2
299.13736	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	299.2015
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
50.65502	0.1
55.24965	0.1
55.57601	0.1
59.01376	1.0
66.32699	0.1
67.08140	0.1
67.90827	0.1
69.14117	0.3
69.14516	0.5
71.01363	0.1
90.96934	0.1
127.25117	0.2
137.02168	0.1
174.99229	0.5
213.09270	0.3
214.09918	0.3
215.10785	0.4
217.00294	1.4
227.10762	7.3
228.11197	0.6
241.12306	0.4
269.15439	0.7
273.90811	0.2
283.16940	0.9
284.17657	0.4
299.20129	100.0
300.20468	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01380	5.8
70.48090	1.2
141.12839	2.4
174.99222	1.5
217.00311	7.7
253.25296	1.5
281.24719	1.7
297.24274	1.1
299.20609	16.8
299.25897	100.0
300.20633	0.7
300.26144	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.89259	0.3
59.01378	4.2
71.42445	0.5
74.95845	0.4
84.99777	0.3
99.92596	0.3
114.47165	0.3
132.20752	0.3
168.07820	0.3
174.99174	1.5
217.00270	4.3
253.25330	3.1
281.24915	1.1
297.24371	0.6
299.25894	100.0
300.26227	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
62.64961	4.7
89.68069	3.9
147.50008	4.6
211.86319	3.8
253.25331	57.1
299.25900	100.0
300.26242	5.8
311.38113	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	299.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
61.98810	0.4
70.96732	0.3
75.65356	0.3
83.92016	0.3
89.73611	0.3
106.80108	0.3
121.08701	0.3
160.84343	0.3
174.99217	1.3
191.81670	0.3
217.00273	4.9
253.25343	3.8
281.24887	1.1
297.24460	0.7
299.25900	100.0
300.26236	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	300.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95773	4.4
59.01364	13.7
60.01693	5.2
60.79493	4.5
69.21599	4.5
77.73247	5.0
86.23851	4.7
92.90199	4.9
98.21885	12.6
114.43835	4.6
137.92776	5.4
139.04015	91.8
151.07616	16.3
213.05505	5.8
218.00714	7.2
229.08662	7.2
241.05101	9.3
242.09018	7.9
251.06961	6.3
252.07547	24.3
253.08499	6.5
254.09061	15.3
255.06242	16.9
257.08258	34.5
257.11847	12.6
268.10651	14.4
269.08078	13.3
270.08484	65.2
285.10919	41.7
286.08481	5.8
300.13220	100.0
300.99823	5.2
301.10736	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00322	0.5
59.01376	3.8
68.01408	2.8
69.14384	0.4
69.14772	0.5
70.02975	0.2
71.01379	1.0
73.02937	0.2
82.95434	0.3
85.02937	0.3
89.02432	0.6
93.03446	0.7
95.05031	0.5
96.04533	0.5
97.02938	0.2
98.02456	0.4
101.02454	0.6
106.06644	0.2
109.01698	0.2
110.06120	0.3
113.02448	0.3
119.03465	0.2
122.02494	0.5
123.03264	5.6
124.07691	1.0
125.06072	0.2
136.07687	0.5
137.02420	0.3
137.04849	0.8
138.05606	100.0
139.03006	0.4
139.04015	4.4
139.05064	0.3
139.05928	2.1
140.07216	0.2
150.05618	0.4
152.03453	0.5
152.07152	2.0
166.08739	0.5
167.05858	2.3
168.06696	1.0
169.08698	0.8
180.06653	5.3
181.07103	0.2
210.07703	0.8
222.07777	0.3
240.08720	0.4
241.10837	0.5
300.10867	17.4
301.11160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	65.1
72.24020	20.7
75.40112	18.1
89.24021	20.7
93.14759	23.3
99.92608	34.0
106.04231	32.2
175.35655	23.0
196.14455	19.7
218.00613	52.9
241.99185	21.2
257.11865	100.0
283.99133	20.6
300.02826	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.7
60.01746	5.2
61.98805	3.0
69.18857	15.9
83.50016	3.0
93.03433	7.4
106.04224	5.9
121.02963	67.4
122.03717	8.4
136.05261	9.9
137.06084	26.4
149.06084	3.2
150.03210	9.3
150.15399	3.9
151.07637	15.2
165.05568	48.3
166.06357	14.7
218.00621	9.0
257.11832	30.7
283.13541	6.5
286.12082	100.0
300.09732	3.3
300.13037	19.8
301.10855	14.3
301.14432	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.2
63.70383	11.6
69.34856	18.2
69.35257	36.2
84.43812	13.5
84.88264	11.5
95.73822	12.0
97.26385	10.9
104.42990	12.2
106.04236	26.5
124.22293	11.2
136.05315	34.0
146.00049	11.5
151.07674	53.7
218.00725	26.6
243.36488	13.5
244.11052	14.0
257.11829	100.0
271.13361	17.9
297.99176	14.7
301.14456	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	300.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59478	1.1
59.01376	10.8
69.03435	1.3
69.15169	3.6
69.15583	4.5
73.04061	17.3
77.51068	1.2
82.06619	3.9
83.02511	2.1
83.05039	3.5
93.03463	1.9
97.06601	2.9
98.22655	2.2
99.04491	2.6
109.02908	2.2
113.06092	4.4
115.03984	2.4
129.10422	2.1
130.08734	100.0
137.02432	3.1
138.05553	1.6
139.08711	6.9
141.10349	6.9
143.11882	10.1
149.02429	1.5
151.04007	1.5
164.01102	1.6
167.34236	1.3
169.09830	21.0
179.10799	4.1
182.15530	2.4
197.11853	6.1
199.18146	34.4
200.28210	1.3
215.07077	3.7
221.08226	1.7
224.79178	1.4
241.10805	25.0
243.17406	1.6
256.20309	15.4
274.43683	1.4
300.19266	99.0
301.03711	3.6
301.07275	4.6
301.12930	5.6
301.19400	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	300.1928
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.94384	0.5
57.78078	0.7
59.01384	7.1
59.28836	0.5
66.03472	0.6
70.02965	0.8
82.06608	1.6
82.23706	0.5
83.05033	2.5
84.08192	0.8
87.05638	14.4
88.04050	1.0
89.36318	0.5
93.03468	4.2
94.03796	2.4
95.05029	0.6
95.20877	0.5
97.04076	1.7
97.06564	1.1
99.04523	1.5
100.07717	0.7
109.02973	0.8
113.06084	1.6
115.08778	1.3
116.07174	17.9
127.05170	1.8
127.30570	0.5
129.05582	0.8
129.10353	0.6
130.08739	84.1
131.09076	1.6
133.01416	0.6
137.02434	4.7
138.02786	4.0
138.05701	0.6
139.03964	1.1
139.08766	4.6
140.10852	0.6
141.09401	0.6
141.10335	4.1
143.11903	1.8
149.02460	0.7
151.00333	1.2
153.10291	0.6
155.11919	0.8
157.13426	3.0
164.01147	0.7
167.06108	0.8
168.13927	0.6
169.08464	1.3
169.09822	12.9
179.10791	1.9
183.11395	3.7
185.16576	17.2
186.12540	1.2
186.16895	0.9
195.15002	0.8
197.11809	1.7
213.14906	0.7
215.07086	0.8
229.15533	0.9
233.56151	0.6
241.10796	11.7
256.20282	17.8
270.99905	0.6
300.19269	100.0
301.06992	0.9
301.12897	1.8
301.19653	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	300.1926
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
50.59478	1.1
59.01376	10.8
69.03435	1.3
69.15169	3.6
69.15583	4.5
73.04061	17.3
77.51068	1.2
82.06619	3.9
83.02511	2.1
83.05039	3.5
93.03463	1.9
97.06601	2.9
98.22655	2.2
99.04491	2.6
109.02908	2.2
113.06092	4.4
115.03984	2.4
129.10422	2.1
130.08734	100.0
137.02432	3.1
138.05553	1.6
139.08711	6.9
141.10349	6.9
143.11882	10.1
149.02429	1.5
151.04007	1.5
164.01102	1.6
167.34236	1.3
169.09830	21.0
179.10799	4.1
182.15530	2.4
197.11853	6.1
199.18146	34.4
200.28210	1.3
215.07077	3.7
221.08226	1.7
224.79178	1.4
241.10805	25.0
243.17406	1.6
256.20309	15.4
274.43683	1.4
300.19266	99.0
301.03711	3.6
301.07275	4.6
301.12930	5.6
301.19400	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	HIERACIN
Peak:m/z	Relative Intensity
59.01389	0.5
63.02393	7.7
65.00320	15.6
73.54082	0.4
74.43740	0.4
77.57087	0.4
79.25938	0.4
83.01377	10.2
93.03455	4.1
95.01373	0.8
98.22686	1.0
107.01382	22.7
108.99262	0.5
109.02968	2.5
121.02953	20.6
123.00924	0.6
124.01628	0.8
125.02464	0.7
136.01605	0.5
136.07655	0.9
136.62251	0.5
137.02383	0.5
139.03981	1.7
147.00960	0.5
149.02492	2.8
151.00362	68.8
152.00713	2.2
159.04535	0.9
161.02434	1.3
163.00363	1.9
163.04013	1.1
164.01134	2.2
165.01895	0.5
169.01411	3.8
172.22307	0.5
173.06111	0.5
175.04056	0.8
178.99846	22.2
180.00142	0.5
185.06137	0.6
187.04024	1.7
193.01431	2.2
201.05605	0.7
203.03523	0.6
205.04968	0.6
211.04062	0.9
229.05116	2.1
243.03091	0.6
245.04524	1.8
255.02931	1.3
257.04541	0.8
257.12994	2.8
273.04007	2.6
274.04459	0.5
299.02106	0.9
301.03516	100.0
302.03842	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56736	1.4
57.03436	1.6
66.00564	1.4
66.76147	1.2
69.03464	11.3
71.05000	4.4
73.02940	9.8
83.05016	4.8
96.21389	1.4
97.06548	2.0
107.08659	4.1
115.04005	1.7
123.08159	7.4
125.06082	5.1
125.09726	34.6
126.10065	2.2
139.03961	1.7
139.07649	1.9
141.09233	37.0
142.09584	1.4
151.07559	3.2
159.02977	3.7
167.07156	2.8
169.08699	100.0
170.09050	3.9
183.06628	1.3
185.08159	3.3
195.06667	1.9
199.34970	1.4
213.07652	11.8
216.86284	1.3
229.07195	1.3
257.06497	3.9
283.04041	1.7
301.05618	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	301.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.99617	1.2
69.03094	1.4
69.03445	7.3
71.05017	5.3
73.02945	11.6
74.02473	6.4
82.53160	1.3
83.05019	4.8
84.96268	1.1
90.33916	1.1
100.00368	1.5
107.08652	2.4
109.06608	1.5
113.02416	1.2
115.03990	2.2
116.01782	2.1
122.06110	5.5
123.08172	6.8
125.06074	4.6
125.09718	30.7
126.10046	1.2
139.03958	2.0
141.09229	32.4
151.07603	2.5
157.08571	1.3
159.02986	2.7
169.08701	100.0
170.09001	4.9
179.08160	2.2
185.08173	3.1
193.06174	3.2
195.06606	2.4
201.07600	1.5
213.07677	10.2
237.05208	3.1
257.06601	3.7
283.04077	9.1
301.05542	16.8
322.98782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01106	1.2
58.54992	1.1
59.01357	1.6
60.14301	1.1
69.03461	9.0
69.96332	2.3
71.05013	5.3
73.02950	11.5
83.05027	3.7
88.11489	1.1
97.02937	2.1
97.06631	1.7
97.96615	1.1
107.08662	3.9
115.03976	2.7
123.08167	7.4
125.06070	3.6
125.09720	38.0
139.04002	5.4
139.07607	1.9
141.09213	36.1
142.07188	1.3
151.07684	4.0
159.02974	3.3
167.07109	2.6
169.08693	100.0
170.09113	2.7
183.62001	1.2
185.08191	3.3
187.18059	1.3
195.06601	2.6
201.07666	1.8
213.07635	8.5
229.07117	2.4
257.06592	2.2
301.05676	18.9
302.06027	1.6
324.89801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.6
61.98821	1.6
70.35421	2.3
71.01393	1.0
72.00904	8.9
73.04056	1.6
73.49337	1.0
74.02472	16.4
75.00860	2.6
78.95895	21.7
88.04025	6.8
95.01427	1.3
96.96953	47.2
109.02916	2.5
114.05634	1.1
116.04227	1.9
116.05062	38.9
116.07174	4.8
123.00874	2.3
126.85455	1.0
129.05806	1.7
130.06618	100.0
131.06949	3.4
132.98190	1.6
137.02434	2.6
141.98212	8.4
142.05017	1.2
142.06607	9.0
143.11865	1.6
157.07681	3.5
157.13455	1.8
159.09273	6.2
171.14934	1.9
187.98817	3.6
203.08244	88.7
204.08580	3.5
213.03442	8.5
214.15549	1.8
228.17137	2.1
235.18088	1.2
241.03825	53.7
241.10736	1.8
242.04085	2.5
246.04494	5.0
255.04527	4.4
258.14554	3.8
259.03979	2.5
283.04001	1.9
301.05035	87.0
301.16342	1.9
301.19345	2.0
302.05328	4.4
302.17148	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	301.0717
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
53.00956	1.0
57.03439	8.5
58.83043	1.1
59.01374	2.1
60.16165	0.9
60.90891	1.0
65.00319	36.2
69.03449	1.0
69.30904	5.6
77.40934	1.1
81.03448	29.7
83.01382	40.1
87.07397	1.1
89.76981	1.1
93.03484	1.6
107.01408	1.7
111.87399	1.1
117.39802	1.0
124.01644	1.8
125.02441	100.0
126.02738	2.2
128.62952	1.0
132.02191	5.0
133.02992	1.5
134.03732	24.1
138.03169	1.5
139.04068	1.1
148.05295	4.0
149.06067	15.1
151.00410	2.0
158.03682	5.8
160.00409	2.1
160.01656	33.4
161.02408	5.5
172.05254	3.8
173.02498	1.2
173.06064	7.3
174.03215	1.1
175.03995	97.2
176.04747	10.5
180.24901	1.2
182.03728	1.0
189.05586	3.1
191.07135	31.4
197.06088	1.3
199.03990	4.7
200.04765	5.3
203.03474	8.3
209.11778	2.1
215.07088	12.5
216.04114	1.3
217.05026	4.8
218.05772	5.4
222.27429	1.2
225.05579	2.1
229.30751	1.2
231.06544	3.0
233.08173	23.7
241.05115	9.1
242.05867	6.2
242.07787	1.0
257.08218	12.8
258.08432	1.4
259.06052	8.9
265.42139	1.0
291.17276	1.0
301.03943	2.2
301.07138	50.0
301.10617	2.5
302.07397	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	301.0716
Annotation	Dihydrokalafungin
Peak:m/z	Relative Intensity
59.01374	1.8
61.98824	1.9
69.37695	5.1
86.96551	1.1
120.25886	1.2
123.00879	1.1
151.00325	1.2
172.05263	1.5
180.05890	1.4
183.04483	1.3
183.13937	11.6
184.05246	3.4
185.06079	2.1
190.90889	1.1
196.05309	7.6
197.05974	3.7
199.03932	4.0
211.03987	10.3
212.04755	13.6
213.05486	5.5
216.30946	1.1
217.00618	1.1
223.03960	1.3
224.04730	8.6
225.05418	3.0
227.03613	1.6
239.03488	12.4
239.07150	1.6
240.04259	69.7
241.05031	64.3
242.05737	10.2
252.04282	8.4
253.04987	1.6
257.08176	25.8
257.10864	2.4
258.08539	1.5
267.03003	2.6
268.03738	33.2
269.04068	2.8
283.06104	100.0
284.06451	7.0
301.07141	79.1
301.16425	1.8
301.21591	2.0
302.07547	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	301.0718
Annotation	Hesperetin
Peak:m/z	Relative Intensity
57.03442	0.5
59.01363	0.6
63.02390	0.8
65.00322	4.8
67.90018	0.4
70.79394	0.5
78.16290	0.3
80.02682	1.9
83.01376	4.0
107.01389	9.4
108.02176	12.9
108.02909	0.7
108.92168	0.3
111.00907	0.3
116.92802	0.4
120.02213	0.4
123.00880	1.0
124.01655	0.8
125.02448	5.9
125.09712	0.4
134.03737	10.5
135.04552	2.8
136.01657	14.6
149.06114	1.8
149.99654	0.6
151.00368	19.7
152.01100	1.0
158.03743	2.8
160.01678	0.6
161.02397	0.3
164.01152	29.3
165.01534	1.2
169.08696	0.6
171.04578	0.6
172.05295	0.8
173.06085	1.1
174.03224	6.1
175.03903	1.0
176.04816	0.9
177.01878	1.6
185.02460	0.9
185.06104	0.9
187.04037	0.9
188.04758	1.0
191.07121	0.4
196.00145	5.7
198.03239	0.9
199.03992	6.3
200.01111	0.3
200.04793	3.0
201.01945	6.4
201.05440	0.3
202.02625	0.8
213.05595	1.3
214.06412	1.6
215.03485	3.1
215.07076	1.0
216.04228	0.9
217.05032	1.1
224.04718	0.8
225.05650	0.5
227.03534	2.1
230.05830	0.5
233.08195	0.4
240.04236	1.8
241.04971	2.8
242.05821	8.8
243.06206	0.5
257.04495	0.6
257.08200	3.5
258.05356	2.1
259.06238	0.7
267.02997	0.5
268.03799	1.3
283.06064	1.7
285.04004	3.6
286.04816	10.1
287.05289	0.6
301.07162	100.0
302.07541	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46374	0.1
55.63434	0.1
59.01379	1.1
59.98415	0.1
61.98795	0.1
65.00322	0.1
67.01900	0.1
67.75099	0.1
71.01398	0.1
71.05000	0.1
73.02935	0.2
75.11185	0.1
79.05508	0.2
79.49165	0.1
83.05035	0.1
85.02894	0.1
87.00865	0.3
93.03455	5.9
94.03806	0.2
95.05049	0.2
97.02933	0.4
97.06595	0.2
99.04526	0.2
113.06078	0.1
115.04012	0.1
121.02953	7.8
122.03281	0.2
123.00906	0.2
123.08214	0.2
125.09713	0.4
137.02397	0.2
138.03227	0.2
139.04008	100.0
140.04338	3.0
141.05568	0.3
141.09204	0.3
159.06609	0.2
165.01939	0.3
165.79568	0.1
169.08722	0.9
177.12975	0.1
179.10815	0.2
213.07600	0.1
239.12636	0.1
241.10817	0.8
259.11884	0.2
301.09308	2.7
301.12860	0.5
301.16306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0928
Annotation	Isotachioside
Peak:m/z	Relative Intensity
55.94223	0.5
59.01368	3.0
65.03986	0.4
69.53028	1.6
71.01379	4.9
71.06519	0.4
72.00938	1.1
73.02956	1.5
74.02489	0.7
83.01354	0.6
85.02957	2.1
87.00871	0.7
93.03463	1.1
95.01392	4.6
96.96018	1.8
96.96976	0.8
97.02949	1.0
99.60571	0.5
101.02431	2.8
106.28178	0.5
108.02189	0.7
109.02928	1.0
110.66285	0.5
113.02445	2.4
117.32473	0.5
121.02955	2.3
122.03753	0.7
123.00883	100.0
124.01735	5.5
125.02450	1.1
137.02428	4.6
138.03223	68.7
139.04012	21.7
143.88376	0.5
147.04449	0.5
149.02443	2.5
149.83102	0.5
150.03192	0.9
151.04010	2.2
159.86403	0.5
161.04585	4.5
163.04057	0.8
164.07173	1.2
166.02678	2.0
178.02715	1.5
179.03488	0.6
181.05046	7.2
193.05080	3.1
206.16649	0.5
265.95490	0.5
278.30554	0.5
300.93646	0.6
301.01999	1.0
301.05765	0.8
301.09244	6.6
301.21457	1.0
301.93210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0928
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
50.99004	0.1
59.01366	0.2
67.16661	0.1
70.49026	0.2
82.80066	0.1
93.03455	5.7
94.03790	0.2
95.05003	0.1
102.29478	0.1
121.02952	8.7
122.03288	0.3
139.04008	100.0
140.04344	3.0
141.05556	0.2
159.06706	0.1
165.01944	0.3
169.08688	0.3
189.05638	0.1
301.09299	2.7
301.12692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
55.90167	0.8
57.04413	0.8
59.01368	1.8
61.98802	0.9
65.00330	0.9
69.03454	100.0
70.03780	1.1
70.74574	0.8
71.42614	1.1
72.99310	1.7
79.01899	3.1
80.99107	0.6
81.03445	0.9
83.01379	1.6
87.00908	0.8
93.03459	0.9
95.01368	1.3
97.02948	19.2
99.00877	25.2
115.07644	5.8
121.02953	1.2
123.00909	1.7
125.02428	4.0
141.01944	7.7
151.00342	1.2
160.01701	1.1
161.02463	0.8
175.04048	2.7
185.00902	34.4
191.07204	1.0
209.11823	12.8
237.20900	0.8
273.04126	1.5
301.03543	3.7
301.09506	6.7
301.21814	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	301.0932
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
65.23152	0.2
69.78079	0.3
69.78430	0.3
78.94155	0.2
93.03456	6.1
121.02956	8.2
123.00906	0.5
125.09734	0.2
138.03200	0.2
139.04010	100.0
140.04337	2.8
143.03522	0.2
156.40948	0.2
158.99747	0.2
165.01855	0.4
169.07381	0.2
169.08708	1.3
186.99254	1.0
301.02448	0.2
301.09222	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	301.0967
Annotation	Xanthocillin X monomethyl ether
Peak:m/z	Relative Intensity
59.01375	37.7
60.01699	0.4
61.98816	1.6
69.24704	0.3
70.12717	0.8
70.13049	0.7
73.14404	0.3
90.97119	0.4
118.96571	0.5
132.98201	1.9
141.87999	0.4
143.10767	69.8
144.11107	2.4
160.97672	1.6
174.99225	7.6
186.99243	0.8
215.05936	0.9
217.07622	0.6
219.00684	0.4
219.97624	0.5
243.05312	0.5
255.05524	1.4
257.07071	5.6
259.08618	16.4
260.08856	0.6
273.06342	0.6
301.09659	100.0
302.10028	5.1
303.07587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1079
Annotation	Litsealactone
Peak:m/z	Relative Intensity
59.01363	1.6
69.99393	4.8
73.55032	1.3
76.28558	1.5
91.49368	1.7
93.03448	2.6
106.04248	30.0
121.02921	2.1
121.06601	5.0
122.03751	3.2
123.00861	19.9
125.02479	1.8
137.02440	57.9
137.41515	1.5
138.03238	25.1
150.03168	4.0
151.03972	2.2
152.04797	3.7
159.69176	1.6
165.05574	3.1
180.04298	2.2
188.93704	1.8
227.07256	2.1
229.12277	5.0
250.83377	1.7
251.12997	1.6
259.09747	54.9
260.10181	2.5
273.11426	2.2
286.12042	3.8
300.99860	3.2
301.10843	100.0
302.11105	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1081
Annotation	5,6-Dihydroxy-1,3,4-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.28159	0.6
53.43024	0.7
56.59628	0.6
59.01328	1.8
59.01587	0.7
61.98785	1.7
69.07539	1.7
69.07954	2.9
81.99257	0.7
96.07685	0.6
98.22594	1.9
121.02980	4.5
122.03728	0.9
150.03168	1.3
165.05472	2.2
199.07603	3.1
199.42758	0.7
200.04619	0.9
201.67105	0.6
215.07074	3.1
219.97737	0.8
227.03572	2.2
228.04283	35.7
229.04590	1.9
243.06622	77.1
244.06970	4.9
253.05150	0.9
256.03754	2.8
270.05240	1.4
271.06116	100.0
272.06433	4.2
286.08487	88.5
286.11844	4.6
287.08722	4.9
301.10828	76.3
301.14304	5.1
302.11148	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	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.4
61.98826	0.7
69.60690	1.4
76.20289	0.3
91.01906	1.4
93.03461	0.8
94.04305	0.3
96.95981	0.3
105.03478	0.3
109.02983	0.3
121.02955	7.8
122.03742	16.7
135.04521	0.8
137.02449	1.4
137.06160	0.3
138.03235	0.7
147.04610	0.3
148.01721	0.6
149.02455	0.7
150.03217	7.4
150.04353	0.6
151.00623	0.4
151.04005	1.0
161.02460	0.5
161.09727	0.4
163.03986	2.0
165.01910	1.9
165.05592	0.5
169.00745	0.3
182.07375	0.4
184.05307	0.6
197.06110	0.9
199.07645	1.0
201.05511	0.9
209.06052	0.5
224.04568	0.4
225.05618	2.0
226.06291	0.8
227.07191	0.6
228.04288	0.3
239.07021	0.4
240.08125	0.4
242.05809	0.8
243.06647	2.9
246.09000	0.6
249.81538	0.3
253.05061	4.3
254.05894	0.7
255.06631	3.8
256.03732	0.5
256.07166	0.3
257.08292	0.6
258.08902	0.7
268.07330	1.9
268.58167	0.3
269.04596	0.4
269.08044	0.7
270.05344	1.4
271.06122	10.5
273.11401	1.2
278.07916	0.5
285.07681	9.3
286.08401	3.2
286.12103	1.0
299.09290	3.3
300.09567	0.4
301.10834	100.0
301.14355	7.0
302.11176	7.1
302.14514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35936	0.5
53.22662	0.5
54.21130	0.5
58.51642	0.5
59.01368	1.1
61.60801	0.5
61.98828	1.0
69.22282	0.9
69.22682	2.1
70.26864	0.5
73.95621	0.4
95.83085	0.4
98.22562	1.1
101.22189	0.5
121.02960	1.3
122.03733	0.6
135.04443	0.9
152.04736	0.5
154.10852	0.5
163.03967	0.6
165.05548	1.7
184.05371	0.8
188.69870	0.5
197.36638	0.6
199.07681	4.0
200.04784	0.6
215.07133	3.7
219.97821	0.6
225.09158	1.0
227.03526	2.7
228.04274	46.1
229.04665	2.9
229.12343	0.7
238.06293	0.6
239.03554	0.5
243.06604	84.6
244.06921	4.2
256.03802	1.5
256.11166	1.0
271.06100	100.0
272.06448	5.0
283.09814	0.8
286.08456	90.6
287.08801	5.9
297.74207	0.5
300.99799	0.6
301.10880	25.0
301.14410	4.2
302.10977	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1081
Annotation	sequirin B
Peak:m/z	Relative Intensity
57.03445	1.0
59.01374	1.8
59.70577	0.6
61.98823	1.2
69.03429	0.5
69.50449	1.3
69.50842	1.3
71.05022	3.4
83.05019	1.1
85.02946	3.2
87.47073	0.6
88.65464	0.5
91.05553	0.7
93.03473	2.5
97.02981	0.6
99.04527	2.9
107.05009	2.2
109.02942	6.2
111.04552	0.6
113.02448	0.9
116.87503	0.5
117.07063	0.6
121.02952	31.5
122.03716	2.1
123.04520	3.2
125.06020	2.5
127.04017	7.2
131.05005	1.7
135.04480	0.6
137.02409	1.0
137.06027	0.6
147.04520	0.6
147.08167	1.9
148.05299	1.6
149.02441	1.2
149.06079	3.3
150.03215	1.0
150.06818	2.0
151.04016	7.1
152.04753	3.1
153.01952	0.9
157.06581	2.3
164.04800	3.0
165.05563	2.1
166.06323	1.2
167.03506	4.7
169.05029	0.7
173.06085	6.9
177.01938	2.3
179.03513	0.7
182.02206	2.3
183.08003	0.6
185.06091	0.9
185.09666	0.6
186.06876	0.6
191.03488	0.9
192.04227	2.6
195.03040	1.0
195.08206	0.7
197.09694	2.8
199.07619	1.9
201.09161	1.1
213.09186	1.4
215.10703	0.9
227.07106	0.6
234.41330	0.6
237.09222	0.9
238.06348	1.1
239.10751	4.0
240.07918	0.8
241.08687	10.4
242.09380	1.2
245.08205	7.9
246.08388	0.6
255.10251	10.2
256.10794	0.7
257.11874	3.1
259.09698	1.8
265.08707	0.9
267.06592	0.8
268.07291	0.9
269.11905	1.2
271.09796	1.0
271.13428	1.2
283.09753	34.4
284.10068	2.3
286.08597	2.5
286.12067	25.6
287.12314	1.8
301.10785	100.0
301.14420	26.1
302.11041	6.2
302.14569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1445
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
50.74555	0.4
67.56194	0.4
71.01383	6.5
97.02957	5.8
97.77997	0.4
98.21841	0.8
121.02898	0.4
124.58187	0.4
134.06142	0.6
147.04524	0.6
151.00394	0.6
155.97278	0.5
157.06604	0.4
159.04520	2.1
160.68851	0.5
162.01753	0.4
172.05309	11.0
173.06111	4.1
174.03302	0.5
174.06801	0.7
175.03963	1.3
175.07513	0.6
178.05025	0.5
185.06078	2.4
186.06810	1.6
187.04118	1.0
187.07645	3.3
196.05249	1.7
199.03984	1.9
199.07722	0.7
200.04791	49.2
200.08386	3.9
201.05394	4.0
201.07117	0.5
201.07474	0.6
201.09198	7.0
202.06360	0.6
203.07094	1.4
204.07893	0.7
211.07639	3.1
213.05554	4.3
213.09029	0.5
214.06349	2.0
215.07083	1.6
215.10695	1.1
216.07910	4.9
217.08539	0.6
217.12340	0.5
224.04646	0.4
225.09189	3.0
227.07111	0.7
228.07925	12.4
229.08685	100.0
230.09073	5.9
243.06535	1.1
243.10278	2.5
244.10928	1.3
245.11804	2.2
253.08670	0.9
255.10425	0.5
257.11890	2.7
258.11417	1.3
271.09833	0.8
272.10532	18.6
273.10815	1.3
283.10898	1.4
283.13559	0.6
301.14444	81.1
302.14807	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	301.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97638	0.7
70.85928	0.8
76.66655	0.7
106.04247	2.5
108.13255	0.7
120.77305	0.7
123.04536	1.4
128.98120	0.6
137.06079	50.7
138.06412	1.2
162.06859	4.3
165.05568	100.0
166.06349	21.4
167.07057	1.6
169.10185	1.2
180.07878	0.9
184.65916	0.7
213.09225	2.7
236.08511	0.8
251.10721	1.1
253.08690	1.6
268.11035	2.8
272.60101	0.7
283.13403	20.0
284.13623	0.8
286.12094	79.9
287.12527	4.7
290.50931	0.8
301.14447	74.7
302.14786	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	301.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83043	0.5
66.57924	0.4
69.39278	2.2
87.29455	0.6
93.03457	6.5
98.22739	0.9
118.86501	0.5
121.02956	100.0
122.03316	2.2
124.73472	0.5
137.06062	9.1
149.06065	2.3
150.03198	0.5
159.31125	0.4
162.06886	1.0
165.05563	17.9
166.06334	4.2
187.07565	0.6
193.16943	0.5
194.78131	0.5
204.04143	0.5
213.09238	0.7
221.61307	0.6
225.09192	1.4
227.10725	0.9
253.08884	0.8
266.68982	0.5
268.87842	0.6
271.09723	3.7
283.13373	3.4
286.12094	88.8
287.12448	6.2
301.11105	1.6
301.14420	34.7
302.14777	3.1
303.12027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52916	0.4
58.43382	0.4
59.01381	0.5
61.98839	0.8
70.43726	0.8
88.53776	0.3
93.03458	6.9
94.03786	0.4
106.84949	0.4
121.02955	100.0
122.03223	1.9
135.04565	0.6
137.06088	1.2
149.06093	1.9
150.06854	1.2
163.03999	0.5
165.05551	1.4
225.09174	0.6
238.06325	4.8
239.06760	0.4
253.08707	0.6
255.10388	0.8
271.09818	2.2
283.09686	1.2
285.10187	0.4
286.03137	1.6
286.12106	71.6
287.12448	4.4
301.05423	2.6
301.10873	4.6
301.14401	35.5
302.14813	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	301.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69855	0.4
57.32513	0.4
59.01355	1.0
69.60844	0.7
69.61225	1.1
71.01388	6.8
79.82133	0.4
86.39778	0.4
97.02342	0.6
97.02946	7.4
151.07614	1.2
152.01054	0.5
159.04483	1.9
161.02446	0.4
161.87000	0.4
169.08627	0.8
172.05292	11.2
173.06070	3.8
174.03207	0.6
175.03987	1.0
175.07640	0.9
185.06052	2.1
185.09689	0.5
186.06841	1.6
187.04022	1.6
187.07637	3.4
188.08141	0.4
196.05302	1.0
199.03949	1.3
199.07663	0.5
200.04779	49.2
200.08421	3.9
201.05348	3.9
201.09190	7.4
202.06351	0.7
203.07106	1.3
204.07944	0.6
211.07672	3.1
212.08318	0.6
213.05589	3.8
213.08809	0.5
214.06264	1.8
215.07069	1.8
215.10779	1.5
216.07904	4.3
217.08617	0.7
217.12270	1.1
221.19000	0.8
224.04684	0.6
225.09233	3.2
227.07086	0.6
228.07909	11.4
229.08675	100.0
230.09033	5.8
239.07019	0.5
243.06604	0.8
243.10313	2.2
244.10953	1.2
245.08296	0.6
245.11806	3.1
253.08755	0.9
257.11813	4.0
265.18179	0.8
271.09808	1.0
272.10510	18.6
273.10889	1.8
283.13489	1.0
283.19180	1.3
301.14435	84.1
301.20160	5.1
302.14755	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89860	0.3
59.01363	1.7
61.42329	0.2
64.93822	0.3
73.02913	0.3
83.04980	0.3
89.02428	0.6
89.52505	0.3
91.03960	1.1
93.03426	1.3
97.06585	0.4
98.25002	0.3
106.75304	0.3
107.01382	0.4
107.09081	0.3
107.98153	0.3
109.06565	0.8
115.63196	0.3
125.09721	0.6
137.02411	0.9
141.09206	0.6
142.07773	0.3
151.00385	0.8
152.01167	0.4
153.05553	0.8
165.12843	2.8
169.08691	1.6
183.13892	100.0
184.14215	4.6
208.00024	0.3
209.11803	3.0
227.12891	5.3
241.04875	0.3
245.04506	0.5
273.04108	0.6
283.06091	0.6
301.07434	1.4
301.16611	15.0
301.20236	2.2
302.17017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.47747	0.1
59.01383	0.2
60.97488	0.7
61.98820	0.3
74.99035	0.6
75.00817	0.1
98.21822	0.3
98.75312	0.1
101.09563	0.1
103.94009	0.1
118.96224	0.9
134.99396	5.2
135.99484	0.1
136.97340	1.7
141.07405	0.5
143.05330	0.7
150.98885	0.2
159.08455	1.3
161.06392	5.7
162.06699	0.1
169.08673	0.1
190.10040	0.1
201.04135	0.6
203.05641	3.1
203.07440	0.2
204.05794	0.1
205.03613	0.9
215.05672	0.9
217.07199	79.8
218.07336	4.9
235.08279	0.5
257.69232	0.1
261.06213	0.4
272.19705	0.1
274.45831	0.1
283.11996	0.4
283.15494	0.2
285.13474	33.6
286.13657	2.6
300.26086	0.2
301.16586	100.0
302.16779	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	301.2171
Annotation	Abietic acid
Peak:m/z	Relative Intensity
61.98824	4.5
67.45441	1.7
84.12379	1.7
93.03418	2.1
96.96521	1.8
97.28117	1.8
98.21792	3.7
107.68402	1.7
116.92841	3.0
131.84682	1.8
148.59222	1.7
169.08655	4.3
205.12318	3.8
206.36858	1.9
220.14612	2.1
245.04581	2.1
273.03879	2.3
300.99722	3.1
301.21692	100.0
302.21976	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	301.2172
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
59.01377	16.5
61.98816	4.9
69.03432	1.5
69.52782	4.0
71.01400	1.1
74.12424	1.0
75.95717	1.3
78.61445	1.2
83.05021	1.4
92.92787	1.6
96.96014	1.4
98.22614	2.4
99.92599	1.6
109.22919	1.1
109.70840	1.1
116.92825	1.9
117.61039	1.0
121.10312	1.1
135.11803	1.3
149.13335	1.4
165.05553	2.0
181.13744	1.2
203.18018	5.9
217.48114	1.2
221.63110	1.1
224.69283	1.2
257.22723	30.8
258.23209	1.7
283.20688	1.8
284.72870	1.1
286.11896	2.5
300.99924	5.5
301.21689	100.0
302.10529	1.1
302.22150	6.9
315.37872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2383
Annotation	2-Monomyristin
Peak:m/z	Relative Intensity
54.04346	1.4
61.98820	3.5
72.99313	25.1
75.00871	20.8
87.39701	1.5
105.90207	1.5
169.08658	3.9
212.26311	1.8
219.97780	2.1
273.04071	2.1
277.30865	1.6
300.99969	1.8
301.23840	100.0
302.24191	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	302.1031
Annotation	Cenocladamide
Peak:m/z	Relative Intensity
61.98831	5.7
64.18632	0.9
64.48643	0.9
65.02370	0.9
71.14404	0.9
90.03500	2.0
93.03458	2.4
97.47920	0.8
101.22826	0.9
121.02968	3.4
121.92441	0.8
124.75565	0.9
146.84186	0.8
151.02757	39.9
151.03993	1.9
152.03082	1.5
169.10159	0.9
183.01764	4.0
193.17413	0.9
194.33592	0.9
219.97731	2.3
224.04565	1.1
225.05623	2.6
239.07109	1.0
247.88812	0.9
252.06589	1.0
254.04514	1.2
268.05991	1.3
270.07690	10.3
284.09198	3.2
285.10062	1.8
302.10324	100.0
303.10617	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1034
Annotation	Cenocladamide
Peak:m/z	Relative Intensity
61.98830	1.2
69.00283	0.2
69.41415	1.0
93.03449	3.0
98.21870	0.5
121.02953	14.8
122.03332	0.3
135.03291	0.3
150.01945	0.2
151.02745	56.7
152.03090	1.3
164.03520	0.4
176.00514	0.2
183.01726	8.5
194.06070	1.5
197.13533	0.2
209.04793	0.8
210.03256	0.3
210.05615	0.8
219.97713	0.5
224.04822	0.4
225.05649	1.3
237.04347	1.1
238.04836	1.2
239.07034	0.5
244.06235	0.2
252.06628	2.1
254.04541	0.4
255.05383	1.4
257.08136	0.8
270.07697	28.1
271.08020	1.6
272.05618	1.2
286.07138	1.0
287.07968	0.7
302.10315	100.0
303.10669	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	302.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63840	13.5
56.52356	14.9
57.51133	13.7
59.01368	58.2
59.65041	16.1
61.98831	28.2
69.22360	30.3
69.22782	62.3
88.69448	14.5
89.22569	13.2
93.03488	16.7
98.22655	26.9
103.86488	13.7
113.33269	14.4
114.70916	14.7
121.02953	78.4
122.03695	16.7
123.04510	15.7
137.06044	59.9
163.07574	18.2
177.77251	13.1
225.09143	15.3
243.10240	71.0
244.07324	59.4
258.12119	16.2
259.09772	100.0
273.07599	17.5
288.09970	19.4
302.10846	22.2
303.12314	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03444	16.1
59.01377	3.6
59.84042	0.6
63.02406	0.9
65.00321	2.4
65.03944	0.7
67.01860	1.0
68.99815	0.9
69.03448	3.7
69.31001	1.9
81.03456	2.3
83.01381	16.1
83.05034	1.1
93.03457	5.1
95.01396	1.0
95.05019	2.1
96.02135	0.7
97.02946	9.1
106.25504	0.5
107.01387	2.7
107.05019	2.1
108.02178	1.7
109.02940	12.4
109.62331	0.6
112.85147	0.6
121.02934	5.3
122.03732	11.8
123.04517	6.8
124.01637	3.0
125.02439	100.0
126.02777	1.9
135.04555	0.8
136.01636	0.8
137.02435	89.2
137.09744	0.6
138.03154	3.0
139.04030	4.3
143.04990	0.9
145.02921	1.4
146.03722	0.6
147.04527	1.9
148.01646	1.2
149.02461	7.1
150.03220	20.1
151.00340	8.1
151.04007	14.3
152.01161	5.3
153.01939	7.9
155.10765	1.6
159.04451	1.5
161.02425	2.2
161.06017	1.0
163.04019	1.5
164.04771	0.7
165.01898	6.5
165.05545	9.4
166.02702	4.8
167.03462	2.7
171.04485	1.1
172.05315	1.3
173.02428	0.8
173.06042	2.6
174.03230	3.9
175.03981	16.7
176.04588	1.4
177.01918	14.8
178.99876	7.4
179.03525	1.2
181.01399	2.4
183.04559	0.9
186.03275	1.0
187.04007	1.7
188.04741	2.0
189.05556	5.1
193.05028	2.7
197.06075	0.9
199.03969	7.8
199.09691	3.7
199.13368	2.0
201.01891	2.5
201.05569	2.5
202.06306	3.3
204.04245	1.9
213.05548	1.7
215.03535	0.9
215.07051	1.2
216.04210	1.6
217.05070	8.3
217.08646	2.7
219.06607	2.4
220.07387	6.0
225.05415	1.1
226.06242	1.3
231.06508	1.5
235.09706	2.0
241.05052	5.9
241.14432	1.0
242.01971	0.7
243.03024	0.9
243.06523	1.0
243.12450	1.7
244.07356	8.6
259.06116	8.2
259.09543	3.1
261.07547	1.3
269.04428	1.4
270.05362	2.0
275.05609	5.4
285.04047	55.6
285.07410	4.2
286.04517	3.7
288.06284	1.1
303.05057	10.6
303.08667	46.7
303.14389	2.5
304.05771	0.7
304.09018	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	303.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
69.18246	2.1
81.03448	0.6
84.66562	0.3
98.21883	0.8
108.02154	0.6
136.01613	0.4
137.02423	2.8
137.06075	2.7
151.03987	0.7
183.04454	0.5
184.05281	0.4
197.06195	1.8
211.04022	0.5
212.04733	3.3
212.08388	1.3
213.05476	0.6
225.05472	0.5
227.07076	0.9
228.02464	6.1
237.05524	0.6
240.04332	2.6
241.04990	1.4
243.04858	5.0
245.02754	23.7
246.03090	1.2
255.01251	0.5
255.06683	1.7
256.02011	4.8
256.07193	0.8
257.08191	0.6
270.03543	3.7
271.04318	20.5
272.04636	1.3
273.02255	51.8
273.07611	2.2
274.02560	2.6
285.05869	2.0
286.06628	2.1
288.04599	100.0
288.09943	2.9
289.04904	6.5
303.06943	43.5
303.12070	5.6
303.15796	0.5
304.07343	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	303.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.6
60.23610	0.8
65.03955	3.2
66.96831	0.8
69.03448	4.9
80.02695	1.0
81.03455	2.8
83.01379	12.7
83.05040	1.1
87.30173	0.7
93.03474	3.1
95.05030	7.2
97.02951	31.0
99.04471	0.8
107.05017	5.9
108.02145	4.6
109.02940	8.7
117.99590	0.8
121.02949	6.1
122.03736	15.0
123.04535	5.3
125.02453	7.5
126.96742	0.7
134.03755	1.1
135.04477	1.0
136.01627	0.9
137.02435	64.5
138.03183	3.6
139.04027	6.9
145.02998	2.1
146.03778	1.2
148.01659	3.5
149.02441	3.0
150.03188	6.1
150.49438	0.7
151.03998	6.8
153.05571	1.3
159.04506	2.6
160.05270	1.8
161.02452	4.4
162.03137	1.2
163.04018	2.8
164.01146	1.7
165.01959	6.6
165.05579	3.5
166.02675	3.2
167.03482	0.9
167.52089	0.8
176.04816	1.1
179.03484	2.3
183.04463	1.2
200.04749	1.1
201.05600	4.8
202.06326	4.8
204.04309	5.0
213.05531	0.8
216.07755	0.8
217.08716	5.8
219.06651	6.8
220.07394	15.1
222.71689	0.8
226.06352	1.9
235.09756	5.4
241.05042	1.9
242.05972	1.0
243.06561	1.2
244.07341	10.2
246.05457	0.9
259.09705	7.1
261.07706	1.8
269.04520	2.7
270.05219	5.8
285.07709	8.4
288.06223	2.1
303.08716	100.0
304.09109	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	5.1
70.71709	0.8
75.85957	0.8
81.03461	3.2
83.01386	10.7
83.22592	0.9
93.03462	3.7
95.01396	1.0
95.05033	5.3
97.02950	25.5
99.04528	0.8
107.05049	1.3
108.02180	3.8
109.02959	8.1
121.02968	5.6
121.14370	0.8
122.03748	11.7
123.04514	5.0
124.01643	1.3
125.02449	4.9
137.02441	80.8
138.03185	3.0
139.04012	6.9
145.02908	1.6
148.01736	1.5
149.02443	2.8
150.03256	6.4
151.04004	3.0
160.05222	1.0
161.02434	3.6
163.04018	3.4
164.01086	1.6
165.01945	6.6
165.05579	6.1
166.02686	3.1
167.03535	2.2
172.05122	1.1
179.03462	2.2
183.04492	1.5
186.03151	1.0
201.05649	4.3
202.06337	5.2
204.04239	5.3
209.31546	0.8
217.08719	6.1
219.06587	5.8
220.07393	12.3
225.05623	2.3
226.06329	2.9
229.04866	1.1
235.09775	6.7
241.05008	1.4
241.08727	1.1
242.05850	1.1
244.07355	10.8
246.05241	1.1
259.09747	8.2
261.07663	2.8
269.04514	3.0
270.05280	6.1
285.07706	8.7
288.06323	2.0
303.08719	100.0
304.09100	8.0
319.88376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.4
59.01377	11.7
65.03954	2.0
67.01892	1.5
69.03454	3.2
70.26611	1.0
70.26929	1.6
75.08162	0.9
81.03455	3.0
83.01389	17.0
83.05038	1.6
93.03460	4.2
95.01375	1.2
95.05008	4.4
97.02946	13.6
98.21848	1.1
99.04507	1.8
105.36634	0.8
107.01306	1.0
107.05016	2.8
108.02174	2.6
109.02953	17.6
121.02953	6.7
122.03744	14.4
122.06134	1.5
123.04550	4.7
124.01662	2.5
124.07636	1.8
125.02445	55.9
135.04515	1.1
136.07695	1.6
137.02440	100.0
138.03265	4.5
139.04030	5.4
145.02943	1.3
145.05052	1.4
147.04550	1.3
148.01717	1.4
149.02409	5.1
150.03207	15.6
151.00360	4.9
151.04010	14.8
152.01210	1.3
153.01915	4.3
154.02324	0.9
159.04510	1.9
160.05223	1.0
161.02423	2.2
163.03989	1.5
164.01126	1.0
165.01895	7.8
165.05530	9.0
166.02727	4.5
167.03455	7.0
168.06622	1.6
171.04507	1.1
173.06062	2.6
174.03185	1.6
175.04004	8.1
176.01128	1.1
177.01949	8.3
178.99835	4.4
181.01463	1.3
181.12302	2.1
187.03963	1.4
189.05579	2.6
197.06094	1.7
199.04002	5.2
199.13409	14.0
201.01953	1.4
201.05518	4.8
202.06378	5.2
204.04256	1.9
207.10301	1.2
213.05602	1.7
213.77660	0.9
215.07112	1.6
216.04263	0.9
216.08070	1.0
217.05016	5.5
217.08672	3.3
219.06599	3.1
220.07370	7.4
225.11272	2.5
226.06319	1.4
235.09814	2.5
241.04950	4.5
241.14491	1.3
243.12343	6.7
244.07359	8.3
259.06091	10.7
259.09436	4.1
269.04556	1.7
270.05295	3.6
275.05591	2.0
285.04031	25.0
285.07626	5.9
286.04404	1.5
303.05072	13.1
303.08734	57.2
303.13892	5.6
303.23392	4.0
304.05844	1.1
304.09106	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	66.2
69.03474	3.1
69.22308	5.5
69.22696	9.3
83.01387	7.0
83.05046	2.8
95.05003	3.1
97.02934	17.0
98.22669	4.7
109.02943	7.5
122.03725	6.9
123.04545	5.5
124.07662	5.9
125.02471	6.4
125.09686	4.3
130.08759	6.4
135.04439	2.4
136.07675	5.4
137.02431	35.5
137.09692	4.9
139.04019	4.8
145.02937	2.6
150.03191	2.6
155.10788	60.7
156.11096	4.3
163.11270	4.4
165.05632	2.6
166.01758	6.9
167.03511	4.0
168.06682	8.3
171.10254	16.0
181.12360	23.6
183.10237	6.0
199.09796	28.1
199.13393	100.0
200.13785	5.3
201.11296	9.3
204.04239	4.1
207.10258	26.6
217.10800	55.5
219.06668	3.5
220.07373	4.6
225.11317	88.8
226.11615	4.2
243.12367	58.4
253.04826	2.4
259.12036	14.9
261.13419	2.7
270.05542	4.3
285.07574	5.0
303.08719	46.9
303.13824	17.1
303.23285	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50494	2.1
54.20943	1.9
55.57108	2.1
57.27113	2.1
59.01377	62.8
69.60664	7.2
81.03448	3.3
83.01384	6.4
84.22057	1.8
91.53033	2.0
95.05019	2.9
97.02968	15.1
97.17393	2.2
98.21922	4.1
99.04562	2.2
108.02164	3.1
108.04545	2.6
109.02986	5.6
111.49332	1.9
121.02889	2.4
122.03754	4.8
122.06110	5.0
124.07691	6.3
125.02388	5.2
125.09720	4.3
130.08727	8.4
136.07680	7.9
137.02440	40.4
137.09750	4.1
138.03163	2.1
139.03973	2.9
150.03287	2.9
151.03996	3.6
155.10773	51.7
161.02484	3.1
163.11273	5.6
165.01913	3.1
166.01761	6.7
168.06607	11.5
171.10301	9.6
177.02046	2.4
179.03506	2.3
181.12347	16.3
183.10245	3.1
199.09734	22.5
199.13390	100.0
200.13779	4.5
201.11295	9.5
207.10265	26.2
217.10768	44.2
220.07436	4.2
225.11310	70.8
226.11771	3.9
231.06590	2.5
235.09641	3.0
243.12369	47.7
244.12589	2.4
259.09671	2.9
259.11899	14.3
270.05246	3.2
285.07663	6.0
303.08691	52.0
303.13928	25.2
303.23325	12.1
304.09100	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	303.1237
Annotation	Avicenol A
Peak:m/z	Relative Intensity
50.29153	0.5
58.23859	0.4
64.49052	0.4
69.18437	2.1
81.03474	0.4
93.03450	0.8
95.01377	1.2
98.00045	0.5
108.02171	14.5
109.02966	1.5
110.00108	2.2
111.00891	3.7
112.41039	0.5
120.02213	0.4
121.02960	3.1
122.03746	19.0
122.04631	1.0
123.00886	1.2
125.02433	1.9
126.03207	1.0
136.01668	12.5
136.05309	1.7
137.02446	30.9
137.06085	15.0
138.02878	0.6
138.06430	0.6
146.03757	4.7
149.02484	0.7
149.06099	0.5
151.04010	22.7
152.04373	0.6
153.01959	1.0
154.02666	1.3
159.04527	1.4
160.05316	1.3
161.06075	7.8
171.04439	0.6
172.05307	2.9
175.07687	0.7
177.05586	0.5
186.06882	0.7
187.03981	1.3
187.07616	3.1
188.04796	1.5
188.34592	0.5
196.05318	2.8
199.03946	0.7
201.05688	0.6
201.09113	0.6
202.06380	3.4
203.07103	2.7
205.08727	1.0
212.04851	1.6
213.05484	1.5
214.06329	2.9
215.03528	1.9
216.04178	0.6
226.06374	0.6
227.07243	0.9
229.05084	1.2
229.08687	1.2
230.05849	5.8
231.06509	1.2
240.04314	4.4
241.04895	1.0
245.08185	21.0
246.08527	1.3
255.06644	8.4
256.07294	2.8
256.80402	0.4
257.04694	0.6
257.08154	2.6
258.05365	4.0
273.07684	100.0
274.08008	7.3
287.09293	0.5
288.10037	48.6
289.10388	2.7
303.12369	73.8
304.12750	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	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	0.6
57.03445	2.2
58.00584	1.2
59.01377	21.0
69.03428	0.7
69.77374	1.6
71.01378	6.8
71.05014	1.5
73.02937	6.3
81.03448	1.0
83.01382	0.7
83.05031	4.8
85.06593	1.4
87.04507	0.9
92.35583	0.6
95.05029	2.3
97.02934	2.3
97.06588	1.4
98.21841	0.5
99.04502	1.8
101.06074	1.5
107.08640	1.1
108.02171	0.5
109.02974	0.6
109.06564	1.2
111.04522	2.3
111.08145	2.4
113.06090	3.8
114.67784	0.5
115.04018	16.2
115.17864	0.5
115.20241	0.5
123.08161	1.3
124.97376	0.5
125.02455	1.0
125.09737	1.3
127.07657	4.7
129.05583	3.1
137.02438	1.8
139.07657	1.0
141.01965	0.7
141.09215	1.9
143.07147	1.0
145.05063	5.8
151.07690	0.9
153.01927	1.3
155.07140	1.7
157.08684	2.4
161.13318	1.4
163.11288	0.7
169.08704	1.4
181.12265	1.6
187.11269	0.7
196.96785	0.5
199.13359	1.4
205.12311	1.4
206.83118	0.5
223.13405	3.1
241.14511	2.8
243.12402	5.9
259.15491	1.3
261.13361	0.8
267.12289	1.1
285.04315	0.5
285.13400	14.7
286.13754	0.8
292.13712	0.7
303.08771	4.3
303.14481	100.0
303.23178	4.0
304.14774	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	303.1448
Annotation	Urechitol B
Peak:m/z	Relative Intensity
57.03434	1.5
58.00591	0.7
59.01375	11.8
65.38914	0.4
66.01111	0.4
69.03454	1.3
69.58993	1.3
69.74220	0.4
71.01377	3.5
71.05011	1.4
73.02943	3.6
81.03448	0.9
83.01373	0.5
83.05009	4.9
84.69736	0.5
85.02943	0.8
85.06580	3.5
87.04503	0.6
95.05010	1.3
97.02950	3.9
97.06572	1.7
98.02457	0.5
99.04522	1.8
99.08135	0.7
101.06062	3.1
107.08646	0.9
107.70026	0.4
108.02131	0.5
109.02920	0.8
109.06580	0.7
110.13168	0.4
111.04531	1.1
111.08138	1.7
113.06075	1.8
113.09703	0.6
115.03990	6.4
115.07649	3.2
121.02971	0.4
122.03723	1.3
123.04514	1.0
123.08167	2.2
125.02463	1.3
125.06094	0.6
125.09730	1.1
127.04003	0.6
127.07650	1.5
129.05591	2.2
129.09273	0.4
130.08679	0.6
137.02440	4.9
139.07640	1.2
141.01884	0.6
141.05547	2.9
141.09236	1.4
143.07175	0.7
145.05048	3.1
151.03946	0.7
151.07666	0.6
155.07121	1.4
157.08714	1.6
159.06613	2.5
161.13383	0.7
165.01962	1.2
169.08690	0.6
171.02512	0.4
173.08064	0.5
175.03987	0.6
179.14354	1.0
181.12311	1.0
191.05644	0.9
199.13414	1.8
204.32292	0.4
205.12331	1.4
217.10846	0.5
220.07381	0.6
223.13326	2.2
229.04913	0.4
241.14528	3.3
243.01428	1.8
243.12357	4.1
244.07468	0.6
249.11263	0.6
254.51784	0.5
259.15482	5.4
267.12314	1.3
285.08530	0.5
285.13419	12.6
286.13748	0.6
303.08759	7.3
303.14468	100.0
303.23160	3.8
304.14804	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	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
59.01377	100.0
71.01376	4.8
71.40893	0.9
73.02953	3.1
82.23027	0.8
83.01379	1.0
85.02943	3.7
88.46190	0.7
99.00932	1.1
101.02445	5.7
113.02438	2.3
120.04641	0.7
122.06155	1.8
124.07658	1.4
134.06136	1.3
135.06888	1.0
136.05296	1.0
136.07690	8.0
137.06065	10.0
138.06427	1.7
153.05566	1.0
159.02946	1.0
161.04584	2.3
173.75545	0.9
181.12387	1.2
191.05637	0.8
195.00029	0.7
199.13432	3.3
216.13994	2.5
231.11472	2.4
243.12335	3.7
259.14474	15.7
259.16931	1.2
260.14981	1.2
261.13449	10.5
303.13681	6.4
303.18005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41848	0.8
53.73050	0.6
57.03442	4.3
59.01376	52.3
65.00294	1.2
69.03453	2.1
69.09438	4.9
71.05003	0.9
81.03441	1.5
81.73361	0.8
83.01382	4.6
83.45351	0.8
93.03465	1.8
95.05022	1.8
97.02940	6.6
97.06567	0.9
99.00859	1.4
108.02195	0.9
109.02253	0.9
109.02926	4.1
121.02954	2.1
122.03745	3.1
123.04514	2.1
125.02438	22.4
125.09727	2.3
126.02810	1.3
127.11282	2.8
135.08154	0.9
137.02440	22.3
138.03183	1.2
139.04007	2.7
141.18192	0.9
149.02411	2.7
150.03224	4.4
151.00366	2.3
151.03964	2.7
152.01108	1.0
153.01927	2.5
153.05605	1.0
153.12839	3.2
155.10768	7.1
161.02443	1.3
163.03992	1.1
163.11304	2.1
165.01906	2.0
167.03525	1.5
171.10194	1.9
173.06053	0.8
174.03239	1.0
175.03957	4.3
177.01933	4.7
178.99785	1.3
181.12334	7.7
183.04564	0.8
183.10184	0.9
185.11876	1.5
189.05460	1.0
197.11848	2.2
199.03955	2.1
199.09674	3.1
199.13387	100.0
200.13724	4.5
201.05569	1.1
201.11285	4.9
202.06424	1.3
207.10265	9.7
217.04976	1.9
217.08723	1.8
217.10809	6.5
219.06651	1.7
220.07411	3.1
225.11307	31.3
226.06216	0.9
226.11650	1.5
235.09778	1.4
241.05083	1.9
243.12350	36.3
244.07335	3.5
244.12695	1.7
259.06131	1.4
259.11801	2.6
261.13339	2.0
270.05377	2.0
275.05692	1.2
285.04013	13.0
285.07431	2.9
303.01340	1.0
303.05026	3.9
303.08643	21.1
303.14279	8.7
303.17841	1.3
303.23239	4.6
304.09140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27216	0.5
57.03469	0.7
59.01377	100.0
60.01711	0.8
69.03482	0.6
69.39825	2.8
71.01378	9.7
72.99350	0.7
73.02944	13.0
83.01394	2.8
85.02976	2.7
89.02433	6.3
91.66222	0.6
95.01400	0.9
100.14708	0.6
101.02436	9.3
101.90880	0.6
113.02456	4.8
117.73878	0.5
119.03522	1.3
131.03510	1.3
159.04596	1.2
161.04640	0.9
171.88821	0.5
174.90993	0.6
174.99188	0.6
187.03976	0.8
189.05621	0.6
191.05556	0.7
194.49263	0.6
199.13443	0.7
228.00095	0.5
243.12448	0.6
303.01379	0.8
303.09488	0.8
303.12732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
59.01377	100.0
71.01376	4.8
71.40893	0.9
73.02953	3.1
82.23027	0.8
83.01379	1.0
85.02943	3.7
88.46190	0.7
99.00932	1.1
101.02445	5.7
113.02438	2.3
120.04641	0.7
122.06155	1.8
124.07658	1.4
134.06136	1.3
135.06888	1.0
136.05296	1.0
136.07690	8.0
137.06065	10.0
138.06427	1.7
153.05566	1.0
159.02946	1.0
161.04584	2.3
173.75545	0.9
181.12387	1.2
191.05637	0.8
195.00029	0.7
199.13432	3.3
216.13994	2.5
231.11472	2.4
243.12335	3.7
259.14474	15.7
259.16931	1.2
260.14981	1.2
261.13449	10.5
303.13681	6.4
303.18005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59904	0.7
59.01377	100.0
65.24230	0.7
69.40617	3.5
71.01380	12.2
73.02944	17.5
83.01396	3.0
85.02963	2.8
89.02442	7.2
89.02872	0.7
97.02984	0.7
98.21860	1.7
101.02430	9.5
108.49507	0.7
113.02431	5.5
119.03496	2.0
124.80717	0.7
131.03500	0.8
131.05064	0.7
145.03018	0.8
153.03703	0.7
159.04475	1.8
231.02815	0.9
262.17795	0.8
303.01395	1.6
303.09070	0.8
303.18201	1.8
303.21838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02953	0.9
59.01374	37.1
67.34523	0.7
69.69928	1.2
69.70302	1.7
73.92577	0.8
75.13033	0.7
75.21775	0.8
83.01365	2.2
93.03455	1.2
93.72501	0.8
95.05030	1.5
97.02937	6.3
99.00874	3.7
109.02970	5.6
109.06542	1.2
110.03728	2.3
122.03689	2.2
123.04542	5.2
124.01553	1.3
125.02421	1.0
125.09683	2.8
127.11275	2.2
130.08736	11.4
135.08093	1.1
136.05241	0.9
137.02429	7.4
139.04012	2.5
151.03978	2.0
153.12834	0.8
155.10817	1.2
163.03993	1.3
163.11270	6.0
164.01122	3.4
165.01881	0.8
169.13518	1.1
170.09790	1.0
170.18857	0.8
172.04327	1.2
173.07228	1.3
177.24852	0.8
179.03490	5.5
179.10800	1.2
181.12321	23.8
183.10245	2.1
192.30478	0.7
197.11766	1.6
199.13377	89.6
200.13693	2.4
201.11305	10.9
207.10248	30.2
208.10591	1.7
215.12859	1.6
225.11302	100.0
226.11540	4.5
229.62122	0.8
243.12344	57.5
244.12634	1.9
259.09659	1.0
261.13208	2.2
283.89603	0.9
303.08759	11.2
303.13977	17.0
303.23111	1.2
304.09155	1.3
314.71729	0.9
315.05942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2328
Annotation	omega-3 Arachidonic Acid
Peak:m/z	Relative Intensity
70.77401	8.6
72.18434	5.8
77.81739	5.2
98.22517	5.9
120.46877	5.0
177.19936	6.6
178.60208	6.5
243.53038	6.2
259.24429	11.5
281.50278	5.4
303.19858	7.9
303.23267	100.0
304.23694	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	303.2329
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
59.01382	3.1
61.98815	1.2
63.11527	0.7
70.46894	0.7
70.77490	1.1
71.01360	0.7
75.88867	0.7
77.62837	0.6
83.05014	0.9
116.92862	1.1
147.24408	0.7
218.86716	2.2
228.70580	0.7
259.24356	2.5
303.23273	100.0
304.23642	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	304.001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23359	0.3
59.01379	21.3
60.01718	2.2
61.01791	0.5
61.98830	100.0
67.05283	0.3
69.96247	0.5
69.96581	0.7
76.89484	0.4
79.72471	0.3
81.47566	0.3
101.45998	0.4
102.62913	0.3
115.02528	0.4
116.02581	0.5
117.00474	0.7
117.02279	1.5
117.95522	0.7
117.97343	0.6
118.00562	0.7
118.97535	0.5
119.00203	1.1
119.95265	2.1
134.97043	2.4
138.96492	0.4
145.39441	0.3
159.01495	3.4
159.96567	2.4
160.01631	8.4
161.01219	11.9
161.96295	8.2
161.98952	20.6
162.01537	2.8
162.96529	4.1
162.99025	1.0
176.98158	0.9
201.02589	0.5
202.02782	2.5
203.02267	2.2
203.97246	0.4
203.99989	4.5
204.02768	0.8
262.01718	0.5
275.16309	0.4
303.23291	1.5
304.00104	13.9
304.02838	10.6
304.23578	0.6
305.00311	2.3
305.03082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87453	42.0
56.16582	43.2
59.01365	95.1
59.90587	41.6
66.53497	41.3
71.05492	59.2
72.62708	37.5
74.02466	100.0
85.90544	37.6
86.31329	41.9
88.33743	40.0
96.00355	41.8
107.29746	41.9
114.57279	42.2
116.03526	41.6
137.06126	48.5
144.80681	41.2
304.15070	57.4
315.57147	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	38.0
59.01377	0.8
59.03315	0.4
61.98827	0.5
66.12418	0.3
66.79652	0.2
68.88251	0.2
70.03005	0.3
70.35179	0.5
74.02483	0.3
95.74593	0.3
115.70393	0.3
126.99335	0.3
141.01707	0.6
146.10068	0.2
151.11279	0.3
154.06377	0.3
168.13922	100.0
169.14281	3.9
195.13921	1.6
196.46989	0.3
212.12856	1.8
221.88495	0.2
238.69507	0.2
246.88454	0.2
261.29654	0.2
298.23923	0.2
304.15967	0.3
304.19159	1.3
305.08075	0.3
329.58148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76220	1.6
59.01373	6.8
59.16443	1.7
70.96972	2.9
71.05010	2.3
79.95745	6.6
82.52971	1.7
112.71975	1.8
116.00055	1.8
121.02934	2.2
136.05202	1.8
141.01698	2.1
144.03291	1.8
147.42769	1.7
157.06563	2.2
159.08159	4.0
169.06644	1.9
173.67950	1.7
181.10248	8.1
191.10826	2.2
225.09215	100.0
226.09538	4.7
305.04889	61.9
305.17542	3.8
306.05112	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	305.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	26.1
74.31168	6.2
85.02924	10.4
93.03432	12.4
93.36645	5.4
96.57942	5.9
102.77528	5.7
123.04538	7.3
128.03528	9.1
130.47763	5.5
132.02174	14.0
133.02950	100.0
135.04514	17.7
143.04652	12.8
143.07201	6.9
148.47884	6.9
149.02448	22.1
177.01884	20.6
188.51437	5.5
223.00903	7.5
270.13385	6.0
287.15201	6.8
305.06686	34.4
305.12497	9.9
305.16052	21.4
306.07489	8.4
321.76392	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	305.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41118	1.0
57.03437	1.3
59.01169	0.8
59.01385	9.3
61.26156	0.9
69.03454	2.4
71.01382	3.1
71.05017	1.2
73.02936	7.5
74.02454	3.3
83.05028	5.2
85.02952	1.6
85.06598	3.0
95.05037	10.4
97.06570	1.2
99.04523	9.5
99.05610	1.8
107.05043	2.1
109.06591	37.4
111.04522	5.4
111.08152	7.8
113.06087	19.7
113.06827	0.6
119.05016	1.6
121.06556	1.7
122.03732	7.3
127.07652	64.6
128.03548	4.2
128.07980	1.3
133.06598	1.5
137.06067	9.9
140.04758	3.4
143.04585	8.0
155.07144	100.0
156.07468	2.5
160.00787	2.2
161.06079	3.5
163.07649	1.4
166.23683	1.1
171.10190	1.4
177.03433	1.4
177.09210	1.2
210.08739	1.2
213.09280	1.0
217.12274	1.5
234.33237	0.9
254.07849	2.4
261.11288	4.4
269.11902	1.2
272.08881	3.0
288.06561	1.1
305.10446	2.3
305.13907	4.3
305.19589	1.1
306.07654	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	305.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99795	1.2
54.26112	1.3
55.01884	4.2
59.01377	5.3
61.98829	1.5
62.01402	1.1
72.52145	1.2
73.02939	2.4
77.06271	1.3
83.05042	4.7
85.06588	3.9
87.48248	1.4
89.00338	1.3
93.03436	7.2
93.07089	12.4
95.05050	3.7
97.06589	26.0
98.22678	2.8
99.08159	5.5
106.04235	12.5
107.05031	65.8
108.05339	1.6
109.06596	3.1
111.04517	7.3
111.08155	79.7
112.08488	2.0
115.96169	1.4
116.05949	1.3
119.05029	19.0
120.18227	1.2
120.99637	1.8
121.02976	1.7
121.06670	1.8
122.03737	1.9
123.04530	3.5
125.02425	2.1
127.04012	28.8
127.07634	2.4
133.06560	1.6
135.04549	1.7
136.05290	6.0
137.06090	47.4
137.07137	3.0
139.43567	1.5
141.05565	1.9
155.07184	2.8
161.09737	10.0
162.03163	1.9
171.08180	2.5
173.09721	14.3
187.07616	2.3
187.48381	1.4
197.09753	2.7
199.11302	4.1
215.10838	2.3
217.08749	10.5
217.12321	100.0
218.06435	1.3
218.12616	7.6
226.06282	2.3
243.10257	52.6
244.10463	1.8
245.11977	3.8
261.11301	65.7
262.11697	4.3
275.68460	1.7
287.16409	2.5
305.10269	7.9
305.17752	11.8
306.17322	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	305.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46459	0.7
55.69582	0.8
57.89620	0.7
59.01359	2.1
69.03410	1.0
69.47730	0.8
71.01395	1.6
71.05022	21.9
71.05415	1.1
73.02923	1.1
79.95789	0.9
83.05014	3.5
85.02969	0.7
85.06554	0.9
87.00867	7.0
87.07264	0.7
89.28033	0.7
93.03454	0.8
97.06593	5.9
102.98573	1.4
106.39449	0.7
107.05032	1.4
109.06644	1.1
109.87305	0.8
111.04529	9.4
113.06099	1.4
121.02958	26.7
123.00911	1.4
125.06097	3.3
128.03539	1.0
130.04276	1.3
135.04532	28.4
136.05310	100.0
137.05641	3.1
138.03270	4.2
141.07126	1.1
143.04935	1.2
145.06593	2.5
146.03712	1.4
149.06056	1.1
151.07660	4.9
153.05594	37.0
153.06856	1.9
154.05913	1.4
157.06598	27.3
158.06885	1.0
159.08163	96.3
160.08531	4.4
161.06058	1.4
168.04315	7.4
173.09708	2.0
177.09300	1.4
189.12816	1.1
191.10788	35.1
192.11124	2.2
203.07108	1.1
210.08754	0.7
211.07681	0.9
217.12318	9.0
233.11829	18.7
234.12289	1.5
249.38347	0.8
257.08170	1.1
263.41507	0.8
287.12888	83.3
288.13104	6.0
305.10147	2.4
305.13843	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	305.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.7
71.01381	6.1
73.02937	2.4
83.01428	0.6
85.02947	2.5
89.02434	1.2
95.03751	1.0
96.04541	1.3
96.08192	1.1
99.00899	1.0
101.02415	3.6
108.04553	13.0
109.05323	2.1
113.02435	2.7
121.05317	2.2
122.06126	3.4
124.07677	50.6
125.08022	1.5
133.03040	0.7
136.07678	100.0
137.08012	3.1
138.09230	4.9
150.09177	0.8
161.04541	2.2
166.01736	1.7
167.02084	2.1
168.01515	2.1
168.06654	52.4
169.06984	1.5
175.79529	0.6
180.06659	23.9
198.28529	0.6
218.15512	2.4
231.16026	0.8
232.12137	0.8
245.12935	1.1
261.16046	1.5
302.36462	0.6
305.15125	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	305.1604
Annotation	Creoside II
Peak:m/z	Relative Intensity
53.40117	0.5
57.03426	1.8
58.00568	0.5
59.01110	0.7
59.01375	7.7
60.38800	0.5
65.88152	0.4
69.03447	0.7
69.11869	3.2
71.01395	2.5
71.05008	5.6
71.36487	0.4
73.02950	2.4
73.03310	0.4
81.03447	0.6
83.01398	0.7
83.05027	3.2
85.02949	0.5
86.13781	0.4
87.04495	1.6
95.05001	0.5
96.96013	1.2
97.06588	4.1
99.00868	1.5
99.04548	0.8
99.08132	3.0
101.02419	0.6
101.06090	4.3
109.02943	1.5
109.06568	2.2
111.08118	0.6
113.09760	0.5
115.04012	0.6
115.07647	2.4
121.02973	1.1
123.04523	0.6
123.08152	1.6
125.02422	2.2
125.06072	2.0
125.09727	1.6
127.07648	2.0
133.02892	0.6
135.04527	0.8
137.02457	2.4
138.94299	0.6
139.03966	0.7
141.09198	5.5
143.04620	0.5
143.07135	14.5
145.05093	0.6
149.02435	1.1
153.09161	0.8
157.08685	1.6
159.06628	1.2
159.10304	2.0
161.02444	0.8
163.11259	1.0
165.02007	0.9
165.12880	0.5
167.03470	0.8
169.08653	1.4
177.02003	0.8
177.05591	0.9
181.12340	0.8
205.14435	3.1
207.13882	1.5
223.13322	0.9
224.33630	0.5
225.15048	3.2
227.12843	1.4
243.15994	10.9
244.16331	0.6
245.13956	9.2
251.12788	1.1
261.16974	2.5
269.13913	4.7
287.05600	1.0
287.14990	15.8
288.15228	0.6
305.06754	4.0
305.16025	100.0
306.16354	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	305.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18212	0.4
55.01873	0.5
57.03452	0.5
59.01377	100.0
60.01715	1.0
69.22369	1.2
69.22781	1.4
71.01379	4.2
73.02950	1.8
76.85724	0.4
83.01402	1.3
85.02951	3.4
87.00890	0.7
89.02484	0.4
93.04785	0.5
97.38584	0.4
99.00884	1.0
101.02448	5.3
111.18597	0.4
113.02454	1.8
133.02965	1.6
134.03824	0.5
135.04579	0.6
137.02481	0.4
158.91219	0.4
159.02916	0.4
161.02463	1.2
161.04550	2.7
173.04604	0.7
178.02718	1.0
187.07684	0.9
191.05481	0.5
257.08282	0.5
263.14996	7.5
318.65640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
51.05357	1.0
57.03440	1.5
59.01377	17.0
61.98829	1.0
70.43114	1.9
71.05020	44.7
80.02654	1.5
81.03449	2.0
83.05024	2.4
87.57787	0.9
93.03459	2.7
95.05027	20.1
96.96078	1.2
98.03723	1.0
98.21951	1.0
106.04280	2.1
107.05031	2.3
109.02943	1.1
109.06597	18.6
111.04475	2.3
119.05028	1.8
121.02984	1.2
121.06606	6.5
122.03720	1.6
123.08167	2.3
127.07636	2.9
135.08125	2.1
139.07756	1.3
141.01721	6.8
147.04547	1.6
147.08180	3.1
149.06010	2.3
149.09711	1.5
150.06873	1.9
153.09206	1.5
161.06093	2.2
161.09717	1.7
164.08418	1.5
165.09200	13.2
175.07735	1.4
189.12842	17.4
190.13248	1.6
205.15970	11.0
215.10704	1.3
231.13867	2.6
233.11771	10.0
243.17531	11.5
249.14925	12.8
250.15326	1.0
261.18716	2.3
263.16519	1.6
269.15439	3.6
287.16528	86.3
288.16888	6.4
305.17566	100.0
306.17859	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01380	22.1
61.98815	9.6
69.69978	11.8
71.05009	4.3
79.05522	10.2
92.66135	4.4
97.06584	16.1
98.21981	6.1
106.04211	5.7
108.65125	3.6
109.06605	4.6
120.05806	6.0
121.06584	5.6
123.08142	6.3
125.09727	11.1
135.08156	100.0
141.01707	12.4
146.86674	4.7
148.76738	3.7
162.83876	6.8
177.12862	4.7
187.52203	3.6
206.54561	3.8
249.14967	59.1
250.15230	4.2
262.65369	4.2
287.16452	10.4
305.08218	6.6
305.17526	86.2
306.17798	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
51.64822	6.1
55.26160	5.6
58.95317	6.6
103.43674	6.3
117.70033	6.7
172.21863	6.8
182.74734	7.2
184.90135	7.7
305.02765	8.6
305.24902	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	306.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.0
61.98830	2.7
72.00906	22.0
72.43026	0.5
74.02490	0.7
76.31290	0.6
91.05527	1.1
99.05602	0.7
103.05558	1.5
112.09071	0.6
117.00436	1.2
121.92679	0.6
126.00480	2.1
128.03522	2.0
133.02942	1.1
134.03712	0.6
135.04526	18.9
141.06725	0.6
143.04593	3.4
147.04520	58.8
148.04857	1.7
153.99986	1.4
159.01474	0.6
161.02480	1.1
164.07156	100.0
165.07504	3.3
172.01007	17.2
173.01146	1.2
179.03476	20.3
210.08737	0.8
254.07806	0.6
264.07220	2.8
272.08881	1.4
289.07257	0.6
306.08304	62.7
307.08435	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	306.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65079	1.3
57.22679	1.4
59.01379	3.8
66.03494	7.2
68.05052	2.7
71.43288	1.6
72.00903	1.6
83.18072	1.2
85.13615	1.3
86.06124	2.8
91.05533	6.0
94.03007	3.0
96.04549	70.3
97.03008	1.6
97.28374	1.1
98.06123	12.7
108.04562	12.2
111.95197	1.4
112.04037	23.7
113.02432	2.5
114.05618	14.0
118.06634	26.7
125.04823	24.8
131.04997	1.6
135.04529	1.8
140.03560	2.8
141.01968	3.5
144.08228	1.6
147.04518	30.8
148.04866	1.7
164.07133	14.5
183.06821	2.3
198.09230	19.8
199.09596	2.0
200.10806	22.4
201.11250	1.5
216.10281	24.1
217.82613	1.3
234.11253	1.9
244.09770	22.1
245.10318	1.3
260.09256	100.0
261.09595	6.6
288.08768	54.6
289.08920	3.6
306.09851	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12349	22.9
59.01379	45.2
65.49652	20.1
69.50823	81.0
71.01369	21.6
85.86109	24.2
86.46097	19.1
107.02502	21.1
113.02472	24.8
135.04497	100.0
179.03494	99.3
284.62851	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81700	3.0
56.22236	3.0
59.01373	8.2
69.03453	45.9
69.44077	13.6
71.01382	13.4
72.99298	3.6
78.95895	13.2
81.38183	2.9
85.02950	10.8
87.00881	5.9
87.04511	3.7
88.98799	2.6
89.08931	2.6
96.96944	4.7
109.02938	4.2
111.00843	19.1
112.01658	70.0
113.02459	42.6
114.96609	2.5
115.00358	5.6
128.03574	3.3
133.01418	9.2
133.02922	3.2
135.04518	94.9
152.61429	3.1
154.06192	3.7
157.01405	48.4
164.89423	3.4
176.65440	3.5
179.03491	100.0
180.03883	4.7
181.01164	3.5
209.06688	4.2
242.36366	3.0
277.80908	2.7
306.90286	3.9
307.08249	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	307.059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32594	11.6
52.92555	13.1
59.01362	41.6
61.98820	30.6
70.05964	30.3
71.01389	12.7
78.95899	15.6
92.63539	14.6
96.96006	78.8
109.53848	12.5
114.05613	21.9
128.03522	15.7
131.08266	16.2
135.04576	79.3
136.94022	44.7
145.09827	16.2
179.03484	100.0
211.87059	15.3
216.89516	14.3
230.00125	50.3
247.02664	47.4
307.13019	16.7
308.16272	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.4
59.50639	0.9
66.98753	0.9
79.70602	1.0
79.95290	1.7
79.95734	24.8
84.96982	1.2
87.94424	0.9
93.03434	7.4
96.04465	1.0
96.96024	1.3
108.02161	3.7
119.08636	1.6
121.02982	1.9
135.04520	6.8
135.08131	3.9
136.05281	2.1
151.03998	2.6
171.10260	2.9
179.03487	4.5
211.07664	7.8
212.08409	37.9
213.08701	2.6
227.10757	100.0
228.11143	6.4
289.18066	4.6
292.04120	2.4
292.07266	1.5
307.06427	97.4
307.19058	2.0
308.06720	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	307.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50102	0.7
56.79783	0.7
57.88644	0.8
65.03957	1.5
69.16502	5.2
71.05019	1.0
74.71107	0.7
79.95733	26.2
93.03445	6.9
97.06598	1.5
98.01331	0.8
100.90231	0.7
108.02187	3.2
115.35767	0.7
117.67443	0.8
119.08636	1.1
121.02978	2.7
121.06579	2.8
125.09706	2.3
135.04501	2.0
135.08167	3.1
135.58272	0.9
136.05281	4.6
136.14391	0.8
143.05116	1.0
151.04002	2.5
170.51913	0.9
171.10263	2.7
179.03523	1.5
185.11841	2.7
209.11804	1.2
211.07654	6.8
211.13371	1.0
212.08415	39.8
213.08792	1.8
216.00853	0.9
223.68745	0.9
227.10762	100.0
228.11057	5.0
235.13481	2.3
278.22748	0.9
289.18109	3.0
292.04037	1.4
307.06454	98.7
307.19016	2.9
308.06686	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	307.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
59.01366	1.9
60.08037	0.9
69.24512	5.4
72.99303	6.5
79.95734	25.3
80.35884	0.9
80.96518	3.3
83.05044	1.7
95.05009	1.2
111.04521	1.7
125.09717	1.3
135.04526	11.6
136.05296	19.1
138.03230	3.0
139.84309	0.9
150.70604	1.0
154.68517	1.3
159.08212	1.1
161.02422	3.3
163.57124	1.1
171.08194	1.5
179.03497	13.4
190.33914	1.0
225.09201	3.7
227.10777	100.0
228.11139	5.0
243.10214	3.8
289.10846	3.2
302.21487	1.1
307.06427	86.1
307.19122	2.9
308.06790	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	307.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89904	0.3
59.01379	5.8
59.18520	0.3
60.07368	0.3
62.86935	0.3
71.01382	0.8
73.02945	0.5
85.02962	1.6
87.00879	0.8
91.05502	0.6
93.03481	0.6
95.01424	0.3
107.05035	1.3
108.02203	0.8
109.02946	9.9
113.02457	0.4
117.03498	0.5
121.02895	0.8
123.00911	0.7
123.04576	0.4
124.01666	0.6
132.02219	0.4
133.02942	5.9
134.03769	2.7
135.04521	100.0
136.04799	2.6
137.02420	0.7
145.05412	0.4
146.06113	5.3
149.06038	0.3
150.03252	2.1
151.03993	1.8
159.04509	1.2
161.02452	5.1
161.04474	0.4
164.85004	0.4
171.95157	0.3
175.07629	2.1
179.03488	94.8
180.03830	3.1
185.06099	0.8
196.95384	0.3
203.18484	0.3
239.09261	0.5
289.07257	2.6
307.08215	30.8
307.17603	1.2
308.08719	2.1
308.18628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67666	0.3
56.33740	0.3
57.27386	0.3
59.01368	1.3
69.36096	0.9
69.36486	0.5
71.01375	0.4
73.02941	1.0
85.02961	1.7
97.06558	0.4
97.72575	0.3
98.22597	0.7
99.04548	0.4
107.05024	0.9
109.02945	2.6
110.79295	0.3
117.03456	0.5
127.03928	0.3
133.02969	3.1
134.03769	2.7
135.04517	94.6
136.04836	2.6
139.51480	0.3
144.04556	0.4
145.05356	0.5
146.06114	5.5
149.06082	0.4
150.03238	0.9
151.04024	0.5
161.02428	4.6
161.04535	0.4
175.07628	0.4
179.03490	100.0
180.03831	3.6
185.05997	0.3
191.61984	0.4
252.74385	0.3
255.96407	0.3
281.77029	0.3
289.07153	2.8
307.08191	19.1
307.17542	2.7
308.08472	1.1
308.18457	0.7
309.86880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11544	0.5
54.00307	0.5
59.01381	1.6
66.27098	0.7
71.41684	0.5
80.75039	0.5
85.02951	2.5
93.03426	0.5
107.05043	1.4
109.02935	0.7
117.35445	0.5
133.02968	4.8
134.03790	2.7
135.04527	94.7
136.04852	3.1
150.03236	2.8
161.02461	9.3
164.07213	0.6
179.03494	100.0
180.03862	3.6
271.43976	0.5
278.71786	0.7
289.07166	2.8
298.94955	0.5
307.04672	1.2
307.08218	21.0
307.13654	0.8
308.08713	1.2
308.18774	1.0
318.56308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0824
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
50.99859	0.3
52.24532	0.4
57.03442	0.4
57.50060	0.4
59.01381	8.1
69.72898	0.4
71.01379	2.5
74.85941	0.4
81.03423	0.5
85.02459	0.7
85.02952	13.1
87.00871	2.7
89.02460	2.2
93.03474	0.6
97.02934	0.4
99.08139	2.4
101.02426	2.0
107.05048	0.5
109.02942	0.9
111.00881	0.6
113.02422	1.2
117.03456	0.6
119.03498	0.5
121.02954	0.8
127.03992	1.3
132.02164	1.0
133.02959	28.4
134.03848	2.5
134.70393	0.5
135.04529	37.9
136.04825	1.3
137.02443	0.8
139.03995	0.8
145.08708	7.9
145.55785	0.4
149.06073	0.6
150.03197	0.8
161.02443	100.0
162.02783	4.1
163.03893	0.5
175.04073	0.9
177.05534	2.4
178.02692	1.2
179.03496	34.9
180.03813	1.3
203.03502	4.2
221.04556	1.4
245.08212	0.9
289.07214	4.9
307.08246	55.3
307.13681	11.7
308.08640	3.8
308.14322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0855
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
52.45466	0.5
59.01378	35.6
70.98563	0.6
73.96584	0.5
79.95758	0.9
83.04995	0.5
85.74876	0.5
96.96008	100.0
99.41685	0.5
109.93979	0.5
117.59472	0.6
123.08157	1.1
124.69560	0.6
167.10741	2.0
227.12869	21.4
228.13223	1.4
307.08554	84.2
308.08890	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	307.0857
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
51.35368	1.1
59.01379	57.8
69.20014	5.7
71.01376	4.3
80.96503	1.2
85.02948	2.4
91.58849	1.1
96.04565	2.7
96.96008	100.0
98.22707	2.1
100.64809	1.2
101.02436	3.8
112.03982	1.3
113.02450	3.0
129.02032	1.1
135.04573	5.0
161.02472	1.8
161.04575	1.4
171.02487	1.2
176.04086	2.3
178.12808	1.1
179.03510	7.7
184.74312	1.3
193.29257	1.1
227.12869	21.4
228.13249	1.2
258.95285	1.0
261.09622	3.9
289.09097	1.3
307.08542	93.6
308.08826	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94415	1.0
55.01882	1.2
59.01374	22.9
69.03456	12.1
69.43419	4.7
71.01379	11.2
73.02940	7.3
83.01398	4.0
85.02951	10.9
87.00866	1.8
87.39845	0.9
89.02444	1.4
99.00912	2.0
101.02443	20.7
107.04996	1.0
109.02948	1.5
113.02447	87.4
133.02940	3.4
134.03769	2.3
135.04524	94.2
136.04851	3.2
159.02942	1.6
161.02441	7.3
161.04561	5.7
174.47900	0.9
179.03491	100.0
180.02373	1.0
180.03860	3.9
193.07161	66.2
194.07491	2.6
289.07202	2.6
307.04761	2.1
307.08130	16.4
307.17554	1.5
308.08560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94506	1.2
59.01378	100.0
61.98829	1.2
63.16122	1.0
69.06810	5.2
69.07230	3.4
71.01391	2.5
73.02970	1.8
79.05512	1.2
83.01375	1.6
85.02938	1.6
87.00886	1.5
96.96016	2.6
101.02451	2.8
103.19347	1.2
113.02459	2.3
128.46086	1.1
129.07121	1.9
133.02965	3.0
134.03783	5.4
135.04543	5.5
159.08328	1.3
159.10442	1.2
159.11794	25.3
161.02397	1.1
178.02699	3.5
179.03424	4.9
181.12335	4.7
203.10783	29.0
204.11101	1.4
221.08351	1.3
228.23268	1.3
263.12631	4.4
307.08218	2.2
307.11935	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	307.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01359	1.0
71.41821	0.5
85.02942	4.7
101.02447	2.3
103.04005	24.6
122.03723	1.2
131.69012	0.5
135.04518	2.3
136.01689	0.6
141.45445	0.6
144.05795	2.0
147.24902	0.5
159.08153	11.8
161.02423	0.8
169.86456	0.5
177.09203	39.8
178.09506	1.7
179.03479	2.5
221.08176	100.0
222.08531	6.0
257.29269	0.4
307.11880	14.7
307.19092	1.1
308.11871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95902	0.2
59.01364	0.2
59.96711	0.6
61.98832	0.5
66.58218	0.2
74.99066	5.6
82.60152	0.2
83.21394	0.2
91.02203	2.2
92.75368	0.2
93.00127	2.2
135.04523	2.1
143.05321	0.4
149.00938	2.5
150.98849	0.2
159.08461	7.3
160.08690	0.3
161.06403	1.6
179.03482	1.9
192.98129	0.5
206.99651	1.2
209.01234	2.8
217.07184	0.8
221.37416	0.2
223.02815	48.9
224.02841	3.4
225.00656	0.2
241.03874	0.8
275.06061	0.4
289.07578	1.6
291.09076	100.0
292.09186	9.2
307.08499	0.3
307.12134	4.0
308.12357	0.4
309.10132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17989	0.3
55.23437	0.2
59.01357	0.3
59.84459	0.3
74.99064	5.5
83.37968	0.3
91.02204	2.3
93.00123	1.9
96.21447	0.3
103.83369	0.2
135.04507	1.4
143.05341	0.4
149.00940	2.2
149.54320	0.3
151.44804	0.3
158.97456	0.3
159.08456	7.2
161.02411	0.6
161.06337	1.4
179.03442	1.8
192.92822	0.3
192.98203	0.5
206.99695	1.4
209.01213	2.5
217.07191	0.5
223.02815	49.6
224.02876	3.8
241.03825	0.4
246.40598	0.3
289.07452	1.9
291.09079	100.0
292.09210	9.8
307.08499	0.3
307.12125	4.8
308.12277	0.4
309.10107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01863	0.8
57.03447	0.8
58.00586	0.7
59.01377	55.5
69.05776	1.7
69.06182	2.9
71.01382	19.9
72.99299	0.6
73.02946	1.5
83.01398	1.7
85.02952	4.8
87.00881	1.8
89.02444	19.4
90.11743	0.6
95.01376	1.3
98.22617	1.2
99.08157	20.6
101.02445	14.2
113.02446	8.6
113.09705	0.6
113.59734	0.7
119.03503	8.4
121.22610	0.7
126.10328	0.6
127.07635	3.5
129.09227	1.9
135.04524	14.1
141.09227	1.3
143.03473	0.8
145.08699	63.8
146.08995	1.9
153.40892	0.7
179.03505	13.5
179.05226	1.0
179.05563	0.8
180.03734	0.7
187.09758	2.7
250.92352	0.8
296.70209	0.6
307.08255	2.6
307.13965	100.0
308.14282	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	11.4
61.98836	5.3
71.05027	8.0
71.41813	3.3
75.80003	2.8
83.95362	3.0
93.12134	2.9
96.96014	8.7
97.06570	4.9
99.04523	20.1
109.06625	3.0
123.08180	7.4
128.77867	2.7
133.93564	3.0
135.04506	15.8
141.77200	3.3
145.48463	3.1
161.02516	3.2
162.15817	3.0
179.03482	20.8
207.13893	4.4
215.31978	3.0
221.15433	16.7
233.15474	3.5
245.19043	7.0
251.16510	5.2
283.90457	3.0
285.53140	3.0
289.18076	80.1
290.18372	6.4
307.08276	5.0
307.15961	5.1
307.19131	100.0
308.19574	6.2
323.04825	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90914	4.1
57.03445	4.5
59.01360	8.3
65.03685	5.1
65.03970	52.0
66.91898	4.2
68.46358	3.8
69.25862	4.2
69.65118	12.0
71.05019	32.7
83.05038	5.2
83.44792	4.6
85.03402	4.4
97.06589	76.1
109.06596	6.0
119.08657	16.7
121.05815	5.5
121.06606	78.2
123.08192	5.9
125.09723	39.4
133.58661	4.0
134.97362	4.7
135.04515	64.2
135.08139	15.9
137.09688	8.6
171.10207	10.5
179.03481	67.6
185.11824	66.7
185.35985	4.8
188.38278	4.0
192.24751	5.1
209.11758	25.6
211.13383	39.7
235.13383	100.0
236.13718	6.0
245.19067	8.9
249.14847	7.5
250.74693	4.1
289.18082	59.5
307.08322	10.6
307.19110	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	19.3
59.01357	16.3
60.79451	3.4
61.98818	3.9
69.03461	4.0
71.01368	15.1
78.43391	3.2
79.52728	3.2
79.95718	6.8
81.03433	4.1
83.05029	7.1
92.39942	3.3
93.03427	5.4
95.05010	4.1
96.96003	3.8
97.06573	27.6
106.04251	3.3
111.08138	13.4
123.04532	6.4
123.08172	4.8
125.09685	4.0
127.11303	4.8
135.04524	20.9
137.99620	4.5
149.09703	8.9
151.11288	39.8
153.09225	3.8
153.12794	4.6
155.10742	15.3
163.11307	12.6
165.12833	43.9
167.10747	11.2
174.73500	3.4
177.09384	3.5
177.12941	3.8
179.01967	3.1
179.03488	17.9
179.10735	7.1
181.12346	58.1
191.10744	25.9
191.14427	8.5
195.17619	5.3
197.12019	3.9
205.12320	5.9
209.09865	5.4
209.11826	100.0
210.12099	4.5
211.13356	15.4
226.11847	4.2
245.19081	40.5
261.18781	5.6
263.20178	16.8
271.16946	5.1
279.15952	9.8
279.19550	6.8
282.73160	3.7
284.79074	3.7
289.18097	49.4
290.18402	4.7
307.08179	6.3
307.15973	4.9
307.19128	96.8
308.19208	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.2
59.87996	3.5
60.35276	3.0
61.98827	7.3
81.03453	5.7
83.01389	11.3
83.05041	5.7
91.63615	3.3
95.05011	5.4
97.02966	3.5
97.06587	8.7
103.95828	3.3
121.02944	4.8
123.04546	8.8
125.09731	16.2
135.04532	47.1
135.08170	4.1
137.09702	11.8
141.12834	4.1
144.25938	3.4
161.02510	4.7
163.07632	3.6
163.11284	18.0
171.10217	4.8
179.03484	57.2
185.11813	23.8
191.10959	4.6
191.14421	19.4
207.10249	13.7
209.11813	47.0
225.11382	6.7
245.19107	41.1
263.20041	5.0
271.16928	6.5
289.18079	100.0
290.18460	4.1
303.09778	3.9
307.08301	9.6
307.19128	49.2
308.19244	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.91385	2.5
57.03436	14.9
59.01375	11.3
59.85158	2.9
61.98816	2.8
64.66604	2.8
69.03436	4.3
71.01372	12.3
71.39310	3.7
80.02648	3.1
83.05017	6.2
95.05042	5.1
97.02891	3.7
97.06578	22.2
106.11538	2.8
109.06570	3.4
111.08158	13.4
113.95568	2.7
123.04522	4.9
123.08105	3.0
125.09743	5.4
134.76825	2.8
135.04543	6.9
137.09685	3.3
138.06845	3.1
149.09712	4.1
151.11279	24.0
153.09164	3.8
153.12878	3.8
155.10764	13.9
163.11319	8.8
165.12849	29.3
167.10773	5.5
169.12325	3.6
179.03517	8.8
179.10759	7.1
179.12206	2.7
181.12352	48.7
191.10793	15.0
191.14449	9.1
195.50745	2.5
197.11748	3.0
205.12306	3.8
209.11821	79.6
210.12236	4.5
211.13318	7.2
224.10570	4.9
225.57877	2.6
245.19130	32.5
263.20132	11.9
271.17148	4.0
279.19806	4.4
289.18079	50.3
290.18167	4.4
307.19144	100.0
308.19388	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	9.2
61.98825	6.1
65.03960	60.8
68.09137	4.7
69.63218	5.0
69.72546	16.5
71.05013	36.2
80.35529	5.6
97.06594	57.5
109.42107	5.3
119.08682	12.5
121.06596	75.6
123.08099	5.2
125.09715	47.5
134.85738	5.1
135.04532	53.1
137.09763	8.8
179.03491	46.9
185.11829	100.0
209.11818	31.7
211.13422	30.2
235.13365	79.5
289.17978	21.3
307.08453	7.3
307.19116	66.0
308.16132	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
57.65242	0.6
58.44171	0.6
58.88892	0.7
59.01362	1.9
59.54964	0.5
63.11467	0.6
67.21746	0.5
70.42485	0.6
70.74088	0.9
71.05017	4.3
80.02685	0.6
81.03449	1.6
83.05029	1.6
95.05026	1.3
98.03727	1.8
106.04214	1.4
107.14027	0.7
109.06595	12.2
110.03766	0.7
111.04515	5.8
111.08156	1.3
117.67915	0.6
123.08178	1.4
127.07647	4.1
143.10756	1.2
145.06546	2.0
149.09744	1.1
151.11337	0.7
156.68259	0.6
161.09749	0.8
163.69948	0.6
167.10777	2.1
177.12881	1.1
179.10693	1.2
181.34801	0.6
195.13924	4.5
207.17430	0.7
235.13315	1.2
240.87259	0.6
245.19041	5.2
249.15001	1.0
251.16609	1.0
255.05943	0.7
271.16980	1.4
273.14978	1.0
287.16534	2.2
289.18091	100.0
290.18448	7.9
307.19168	8.5
308.19592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	5-O-Methylembelin
Peak:m/z	Relative Intensity
56.79870	0.9
89.82776	1.1
91.91046	1.0
109.02934	1.7
109.26985	1.1
110.03739	4.2
125.02435	2.1
135.04515	3.3
137.02405	3.0
138.03204	8.4
166.02721	5.0
179.03496	4.6
180.04266	1.7
198.01712	1.3
279.19647	8.7
286.70193	1.1
299.60272	1.0
307.19150	100.0
308.19370	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
59.01365	5.6
63.55608	1.6
67.01881	1.8
81.03452	5.9
83.01350	5.0
83.05029	2.1
83.59383	1.5
85.80297	1.6
95.05035	2.9
96.09582	1.9
97.02940	4.0
97.06584	5.2
109.06601	2.2
110.03766	2.0
121.06583	2.4
123.04526	9.4
123.08163	4.6
125.09728	17.6
135.04536	4.7
137.06140	1.7
137.09712	10.7
141.12761	2.8
149.06064	2.1
163.11287	14.5
165.12810	2.2
167.10745	2.0
179.03485	4.2
181.12305	3.1
185.11815	17.9
191.10730	3.0
191.14388	16.1
198.69382	1.8
199.13269	2.4
207.10309	8.0
209.11819	35.7
211.13303	2.5
215.53006	1.6
217.15968	1.7
218.05789	1.8
219.05948	1.6
225.11266	8.8
231.22742	1.7
245.19096	43.0
246.19467	2.3
271.16989	5.1
289.18079	100.0
290.18414	8.2
307.19113	63.6
308.19394	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	307.2641
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
51.36667	0.3
54.79672	0.3
59.15827	0.3
65.28016	0.3
70.70181	0.6
73.75226	0.3
84.22494	0.3
92.11786	0.3
105.81087	0.3
116.92836	0.5
125.52763	0.3
135.04491	1.5
179.03477	2.8
208.55408	0.3
213.10542	0.4
307.26413	100.0
308.26761	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	308.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.18131	0.6
60.01724	1.0
61.46111	0.6
70.12681	0.8
71.01395	2.8
73.02946	1.3
85.02972	1.9
89.02466	2.0
96.96004	3.4
97.02959	0.6
98.21967	1.0
101.02454	2.0
111.77505	0.6
113.02473	1.8
122.41991	0.6
135.04539	5.3
136.04814	5.5
150.94839	1.5
152.91806	1.0
152.94531	2.1
161.02501	1.3
161.04604	2.1
162.02837	1.5
164.96393	0.7
166.96162	1.9
173.04590	1.1
179.03450	4.1
180.03850	4.4
190.96165	1.0
193.39478	0.6
208.02939	0.7
213.61029	0.6
214.57411	0.8
249.89677	0.7
272.02594	0.6
308.08536	2.0
308.14951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33377	0.7
50.66095	0.9
55.63608	0.8
56.97358	0.8
59.01382	5.7
71.01372	1.2
78.95905	1.7
89.02459	0.8
96.95992	4.5
107.03637	1.7
113.02469	1.5
125.49460	0.8
128.03549	2.4
131.08287	2.7
134.04726	100.0
135.04349	1.7
135.05193	1.1
146.08217	2.3
150.95421	0.8
173.10420	0.9
180.06706	1.3
181.04063	1.1
221.36513	1.0
249.02686	1.0
266.08987	2.9
309.11719	4.8
310.10587	1.0
310.16653	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.69915	0.8
55.01853	1.6
57.03443	1.1
59.01377	100.0
61.98806	0.8
62.25589	0.9
69.03439	0.9
69.70097	2.7
71.01378	21.7
73.02930	5.2
82.51653	0.8
83.01360	1.4
84.04553	2.0
84.83135	0.8
85.02946	7.4
87.00875	1.7
87.04497	0.9
89.02438	15.9
95.01365	1.8
99.00871	1.8
99.04515	1.8
101.02439	14.0
111.04517	2.8
113.02445	8.8
117.54566	1.0
119.03493	7.9
129.01947	1.8
129.05576	11.4
131.03545	1.0
135.49693	0.8
143.03477	1.5
147.06633	2.1
155.05894	0.8
159.03047	1.3
159.06602	2.7
161.04515	9.5
179.05609	1.8
190.12375	1.0
248.16565	1.6
249.09761	8.5
266.17575	1.8
289.45142	0.8
292.15475	1.2
309.11899	44.7
310.12601	2.2
310.16547	25.1
310.20117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22980	0.9
59.01377	100.0
75.04517	0.9
82.97570	0.9
98.21894	2.4
104.87064	1.0
128.88809	0.8
150.06854	1.3
151.59784	0.9
161.13374	6.8
180.39583	0.9
204.83478	1.0
205.12309	26.7
206.12759	1.0
223.13358	1.8
249.11252	2.5
317.98248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	1.2
60.54315	0.8
69.96104	1.3
69.96458	1.0
82.02148	1.0
93.07106	0.9
149.20001	0.8
150.06882	1.1
161.13342	7.3
205.12315	35.4
206.12599	1.5
223.13327	2.4
249.11446	3.7
309.17014	1.1
309.92889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49973	2.2
57.03450	5.8
59.01373	9.9
63.84161	2.1
66.81174	2.4
69.15675	12.9
71.05019	15.8
79.85666	2.1
96.95979	4.2
97.06590	5.4
107.05011	2.5
121.10261	11.9
125.09699	13.0
137.09755	18.3
139.23396	2.3
141.12865	2.1
144.97488	2.0
147.27170	2.3
151.07648	3.9
171.10277	37.7
172.89378	2.3
185.11801	18.3
197.11816	2.7
223.17215	2.2
237.14851	3.3
247.20778	3.3
251.16516	46.7
270.43015	2.3
273.11304	9.1
291.17010	2.3
291.19669	93.5
292.19949	5.9
309.17514	5.1
309.20694	100.0
310.21054	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	6.9
61.98815	2.6
69.33250	8.9
71.05030	13.0
73.75901	2.4
97.06566	4.0
121.02969	3.2
121.10184	3.9
125.09742	5.6
137.09769	12.4
144.13100	2.4
155.63499	2.7
165.26846	2.5
171.10277	39.3
181.12346	3.4
185.11844	5.2
223.20621	2.2
237.14903	2.8
246.17944	2.2
247.20633	3.1
251.16589	12.5
252.48523	2.1
273.18622	2.9
291.19632	60.0
292.20016	7.3
309.07419	2.6
309.20688	100.0
310.10938	5.0
310.20975	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71937	1.4
59.01367	5.2
61.89719	2.0
61.98797	1.5
69.03461	1.7
70.43786	2.8
70.44131	1.8
71.01386	1.5
71.05006	4.5
73.02906	1.3
83.05047	2.0
87.04495	2.0
89.78609	1.4
93.60985	1.4
97.06587	2.5
101.06065	1.6
106.24255	1.4
112.05338	1.4
116.92928	1.4
118.88900	1.3
121.10236	1.8
124.72793	1.7
125.09710	2.2
148.10902	1.4
152.91679	1.4
173.88823	1.7
185.11836	2.8
195.13959	10.3
207.14005	1.8
207.17606	5.4
211.13362	10.9
221.15442	5.7
223.17015	23.3
233.15482	16.1
235.16890	2.4
251.16516	90.6
252.16866	5.6
273.18628	2.9
291.19666	37.2
292.19778	2.0
308.97336	1.4
309.17520	3.6
309.20706	100.0
310.10785	2.6
310.17657	1.6
310.20993	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04379	1.2
57.03436	2.3
69.03437	2.0
71.03158	1.2
71.05022	1.6
81.03461	1.3
93.03428	1.4
94.33196	1.4
95.01378	2.5
97.02936	9.7
99.00876	5.5
111.08173	1.6
113.09733	2.5
125.09731	2.1
137.09708	4.4
149.09792	1.4
151.04018	18.6
151.07654	10.5
152.08430	62.6
153.08844	2.1
162.10555	1.4
163.11337	3.0
165.12851	5.1
171.10272	11.4
179.14389	2.4
181.12347	2.3
184.07478	2.1
185.11992	1.2
193.08635	4.0
193.12315	1.7
193.16003	2.3
195.10236	4.7
208.11017	3.6
209.15468	52.5
210.15836	3.0
223.13318	1.5
247.16965	1.9
247.20625	5.6
252.10059	9.8
265.18091	13.0
273.18570	3.7
282.92422	1.3
287.72574	1.2
291.16104	4.5
291.19638	72.4
292.20032	5.1
309.17029	100.0
309.20694	86.3
310.17355	9.6
310.21094	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27064	1.1
58.00586	1.7
59.01360	1.5
69.03422	1.8
70.98016	1.8
70.98352	1.7
93.48882	1.3
97.06577	1.3
109.06561	2.0
111.08153	27.6
127.07623	2.1
169.12361	7.0
181.12360	2.5
197.11818	100.0
198.12149	5.7
199.13422	4.2
202.65352	1.3
209.15471	2.3
211.13400	12.5
220.58272	1.2
221.45842	1.4
227.12955	3.5
230.02435	1.4
263.20160	8.3
265.18048	3.2
291.19586	19.6
292.19897	2.0
309.17276	2.2
309.20706	43.1
310.21017	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.1
59.01357	2.6
61.98792	1.2
69.03439	3.0
71.05008	3.3
71.56670	1.1
80.02666	1.1
81.03439	1.5
83.04988	2.6
85.06586	2.9
95.05043	1.4
97.02946	18.1
97.06580	1.2
107.86393	1.1
109.06579	2.1
111.08154	1.6
117.33187	0.9
123.08135	1.8
125.09743	1.4
137.09688	3.1
151.11298	1.9
153.22363	0.9
163.11377	1.0
165.12769	1.1
171.10248	6.7
177.12784	1.7
179.14334	1.9
181.12502	1.2
183.13916	4.4
195.13907	13.6
205.12137	1.1
211.13383	1.4
221.11862	1.9
221.15488	8.3
223.13387	3.0
223.16971	4.1
229.19745	1.3
233.15462	5.1
239.12717	1.5
239.16566	2.0
240.11040	1.0
240.13692	1.1
247.20682	5.3
251.16484	15.4
273.18597	3.6
291.19641	90.2
292.20044	7.3
309.20688	100.0
310.20987	6.7
325.15707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33352	0.9
55.13150	1.0
59.01363	2.0
68.45693	1.4
71.06119	1.5
77.03433	1.1
83.05003	1.0
109.06579	1.4
111.08154	34.4
112.08486	1.0
112.25043	1.0
120.62094	1.0
127.07668	2.2
151.11201	1.0
152.08414	2.4
153.09294	1.1
153.12856	2.3
169.12338	7.2
171.10278	2.1
181.12215	1.7
183.13928	1.3
186.38226	1.1
197.11819	100.0
197.80095	1.0
198.12088	3.9
199.13411	3.8
209.15454	8.1
211.13367	10.3
221.15410	1.2
223.16954	2.2
227.12775	2.9
233.15483	1.6
247.20618	1.2
251.16498	4.3
263.20157	4.9
265.18079	5.0
273.18521	2.5
291.19702	22.8
292.19971	2.3
309.17181	6.0
309.20670	50.6
310.21063	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	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.00357	0.5
52.09734	0.5
57.03449	1.3
59.01379	0.7
69.03466	0.7
70.96213	0.8
73.02962	0.6
83.04997	0.7
95.05025	0.6
97.06571	1.4
105.58945	0.5
113.09715	0.9
113.75069	0.5
123.08148	1.2
125.09725	4.4
127.11250	1.0
137.09715	1.5
139.11302	0.9
141.09225	2.1
151.07726	0.5
153.09206	1.0
155.10808	1.1
165.12856	1.3
171.10265	2.7
172.83781	0.6
181.12326	0.8
183.13828	1.1
185.11987	0.6
193.12300	0.9
193.16026	0.6
195.13968	0.6
199.09712	4.2
200.10539	4.7
201.11298	2.2
211.13374	1.0
211.17050	0.8
213.11404	1.0
247.20700	4.3
263.20142	1.1
265.21741	1.1
270.94434	0.8
273.18573	1.6
281.21265	1.8
291.19626	16.4
292.20001	1.3
309.20700	100.0
310.21106	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01373	1.1
63.45864	0.6
70.33489	0.9
70.33817	1.4
81.56972	0.7
83.05063	1.2
84.74420	0.6
92.92793	1.5
95.05046	0.9
97.06574	1.2
123.08125	1.3
123.70879	0.6
125.06075	0.8
125.09728	5.2
127.11303	1.3
137.09721	1.1
139.11330	1.1
141.09229	1.6
152.08398	3.0
153.09209	1.6
153.12775	0.9
155.10747	1.5
161.89746	0.6
171.10280	4.0
182.56245	0.7
185.11804	1.5
193.15990	0.7
197.11742	0.8
199.09779	3.9
200.10530	5.7
201.11307	3.6
209.15434	1.3
213.11311	1.6
215.12990	0.9
223.94223	0.7
238.09157	0.7
247.20604	5.3
263.20184	1.0
265.17944	0.8
265.21530	1.9
273.18716	1.2
281.21213	1.1
291.19672	14.8
292.19873	1.5
309.17340	5.4
309.20688	100.0
310.21021	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	19.1
59.01368	16.3
61.98840	4.9
69.03468	5.6
69.30608	4.2
71.01376	11.0
79.86033	4.7
83.05025	8.9
97.06602	5.3
98.21883	18.5
99.00926	5.2
99.73214	4.7
102.48840	4.1
111.08176	8.9
113.09763	9.4
151.07530	5.6
151.11272	32.9
152.08380	16.6
153.12860	7.5
163.11214	5.2
165.12831	41.8
177.05145	4.5
179.10776	7.7
181.12317	46.6
191.10809	21.5
209.11829	100.0
209.15366	22.4
209.73573	4.1
210.12042	5.2
211.13321	10.0
229.01419	6.0
241.94553	4.8
247.20677	9.1
265.18140	9.0
265.21573	8.6
285.71884	5.1
291.19614	19.5
309.17108	45.5
309.20676	20.7
310.10941	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
59.01359	3.9
61.98809	1.3
65.15031	0.9
65.86024	0.8
69.03436	1.4
70.91427	1.2
71.33820	0.9
71.45829	1.0
74.61937	1.0
83.01369	1.5
83.05033	1.2
92.92799	2.2
95.05016	1.5
97.06566	2.3
107.50262	1.0
110.05759	0.9
111.60250	0.9
123.04503	1.4
123.08091	2.5
125.06072	2.0
125.09707	7.3
137.09680	1.7
139.11281	4.1
141.09193	1.4
151.03998	1.6
151.07669	1.6
151.11285	1.1
152.08401	4.4
155.14404	2.2
161.39485	1.1
163.11331	1.8
163.32281	0.9
165.12798	4.1
167.10768	2.1
168.91310	1.0
171.10364	2.2
179.14424	1.2
181.12350	1.8
181.94975	1.0
183.13861	2.7
185.11763	1.2
193.15984	1.1
199.09785	4.8
200.10536	4.8
209.11827	10.8
209.15448	4.1
211.13377	1.1
211.16885	1.1
215.72128	0.9
223.92316	0.9
238.01106	1.0
247.20659	15.3
248.21089	1.5
252.09981	1.2
263.20041	1.1
265.21796	4.5
281.21210	2.2
291.19659	48.8
292.19861	3.1
309.17175	8.7
309.20670	100.0
310.10928	1.3
310.20972	7.2
332.34555	0.9
334.59744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80340	2.2
59.01364	5.1
61.98818	1.8
69.01638	1.9
69.65861	7.7
71.05003	2.2
80.02691	10.4
81.03444	3.9
81.87135	1.8
83.05021	23.0
84.02164	12.0
96.95980	2.8
97.06602	3.2
98.22603	2.9
99.08173	9.7
109.06586	2.4
115.07615	5.4
123.04418	2.7
123.08179	3.3
124.98446	1.8
125.09697	7.5
127.11256	3.9
137.08757	2.9
137.09727	39.2
138.09998	2.1
139.11246	8.9
145.78802	1.7
151.04002	3.5
151.11241	5.9
152.08371	8.4
153.09167	4.1
153.12802	2.3
155.10779	42.0
164.19041	2.2
167.10732	4.2
171.10289	45.7
173.24475	1.9
193.12329	25.1
194.12599	2.3
195.13954	2.3
198.81233	1.9
209.11752	3.5
209.15523	11.7
209.17160	1.9
211.13318	3.8
237.12361	1.8
247.20621	5.6
252.10075	1.9
263.20016	5.8
265.18027	3.0
265.21658	6.4
279.94913	1.8
291.19647	91.0
291.22879	4.8
292.19992	5.5
309.16983	21.7
309.20605	100.0
310.20969	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74018	1.1
57.03433	3.2
59.01367	5.1
59.05495	1.1
69.03448	1.5
70.06490	3.4
71.84351	1.2
73.55868	1.1
78.50312	1.1
80.02689	2.8
80.06354	1.2
81.03449	3.2
83.01381	12.4
83.05013	3.6
84.86773	1.3
92.92812	1.2
95.05025	2.5
97.06579	5.0
101.95943	1.4
110.03719	2.0
111.08164	1.3
119.65377	1.4
123.04544	2.9
123.08157	3.7
125.06083	1.8
125.09699	13.1
129.09212	1.6
137.09729	2.1
139.11270	13.8
147.11717	1.4
151.03970	2.5
151.07535	1.5
152.08456	6.9
162.10532	1.5
163.11284	10.9
165.12851	17.4
167.10777	6.8
171.10181	1.6
181.12297	4.9
183.13852	3.0
191.10728	4.0
193.15926	4.8
197.11711	2.4
207.10307	1.4
209.11819	61.7
209.15450	6.4
210.12206	3.5
215.33032	1.6
219.17471	1.6
225.11345	2.2
245.19157	1.7
247.20674	15.2
248.21063	1.4
252.09956	1.9
265.18161	2.4
265.21710	4.4
273.18655	3.0
281.21130	2.5
291.19641	100.0
292.20020	9.2
309.17044	14.3
309.20660	35.0
310.20996	2.1
331.66864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.2
64.75916	9.6
71.41491	10.9
77.04813	10.5
86.21290	12.5
92.92802	11.4
93.03458	12.2
95.05023	13.9
96.96004	14.9
99.00889	11.4
102.20747	9.2
113.09722	12.6
116.92843	19.2
129.09203	16.9
151.04002	19.4
151.07585	19.8
151.11282	31.4
152.08394	38.2
165.12852	25.3
181.12318	38.1
181.22879	10.2
188.68858	10.4
191.10770	20.1
200.41411	10.3
209.11798	100.0
209.15434	46.0
252.09705	22.2
265.21719	33.8
291.19473	25.3
309.16977	77.5
309.20682	54.3
310.10641	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	310.1661
Annotation	Arg His
Peak:m/z	Relative Intensity
51.04997	0.4
57.03445	0.5
58.02963	1.1
59.01386	2.6
59.12691	0.4
67.01892	2.7
69.03452	5.7
69.94804	0.4
71.01376	1.1
73.02955	0.7
75.00868	0.7
79.05528	0.5
82.02972	0.9
82.06629	0.9
83.05024	1.5
85.02894	0.5
87.00881	0.7
93.03465	0.6
95.05032	1.4
97.06577	2.2
99.08142	0.9
99.92513	0.4
100.07654	1.0
102.86959	0.5
104.75825	0.5
105.79144	0.5
106.04237	2.9
107.05025	2.3
109.06556	0.7
110.06169	0.7
111.04537	0.8
111.08146	0.5
113.02490	0.9
113.06088	0.7
113.09748	1.0
119.05038	1.5
122.06124	1.6
122.09752	3.7
123.04523	2.4
124.11315	0.5
125.06093	0.5
125.09727	1.5
126.09280	0.6
128.07176	0.5
135.08173	0.8
136.07727	0.8
138.09247	0.9
142.01628	1.0
142.51871	0.5
146.04375	0.4
150.06833	0.7
150.09201	0.7
152.10828	2.0
163.04028	2.2
164.10687	0.7
165.04013	2.7
166.12325	0.8
174.12823	0.5
175.11258	1.5
177.12860	0.6
189.12828	5.2
191.14426	2.6
192.13918	5.0
193.12474	0.7
202.16156	0.7
203.14389	4.4
204.13942	0.9
205.12387	0.6
207.13875	1.5
210.12794	0.4
212.14424	1.5
218.51843	0.5
220.17070	0.9
221.15515	0.7
228.13861	0.5
229.04317	0.5
230.15500	10.9
233.14178	1.3
248.16548	9.2
249.16736	0.5
266.17651	1.9
281.54266	0.5
285.04236	0.6
292.15482	4.9
310.16583	100.0
311.16962	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	310.2023
Annotation	YM 47515
Peak:m/z	Relative Intensity
57.03437	1.5
59.01371	1.5
60.27359	0.5
61.15881	0.4
71.05012	4.4
73.02927	1.0
81.03461	0.6
83.05027	1.2
87.04499	1.6
95.05022	1.5
97.02958	0.5
98.03735	6.1
110.09757	1.2
111.04524	3.0
115.04013	1.3
123.04513	1.4
123.05602	0.7
124.05322	1.2
148.11385	0.5
160.11334	0.5
169.25983	0.5
180.35747	0.5
193.54474	0.5
206.15541	0.5
216.13937	1.6
230.19139	6.5
234.14967	4.0
239.37144	0.5
252.16035	3.9
256.17014	1.8
258.49530	0.5
274.18118	7.8
290.17615	1.2
292.19183	16.6
293.19489	1.6
310.20233	100.0
311.20551	7.6
333.36411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0924
Annotation	5,6,3'-Trimethoxyflavone
Peak:m/z	Relative Intensity
56.71986	1.3
59.01361	4.2
59.89255	1.3
69.10114	6.6
74.30450	1.3
83.73387	1.2
88.95373	1.4
98.21952	2.8
104.98305	1.2
109.02946	1.5
117.03465	6.3
119.05020	11.3
121.06598	2.1
123.04478	2.2
130.04224	1.8
131.05055	9.6
133.02956	12.2
134.03748	7.8
134.06096	3.4
135.04529	100.0
136.04811	3.8
149.06068	12.0
150.05614	5.8
161.02438	82.6
162.02815	3.4
173.85158	1.3
178.02727	4.8
179.03494	39.1
180.03931	1.3
181.69083	1.3
186.26666	1.3
201.05582	1.5
209.06122	2.8
225.05550	3.7
237.05484	2.9
240.07941	1.7
249.18642	1.5
253.05074	20.0
262.16403	1.5
265.05035	8.0
265.18054	2.5
266.05783	2.4
268.07309	1.6
280.07346	6.5
281.04541	25.2
293.17490	1.6
296.06882	13.6
311.09232	83.6
311.18564	12.4
311.22028	5.0
312.09677	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63515	0.3
56.91179	0.3
57.03448	3.5
58.99599	3.0
59.01380	3.9
71.31508	0.3
71.41836	0.4
71.78590	0.3
87.00880	3.6
91.05503	0.3
102.98628	0.7
113.68311	0.3
122.01957	7.9
123.02782	1.6
135.04512	0.3
153.34291	0.3
161.04372	0.4
163.05881	0.4
165.94896	0.3
173.09692	0.5
179.05379	2.0
181.06921	100.0
182.07256	4.2
189.09190	0.7
207.08513	1.0
223.07986	0.4
251.07460	3.3
257.33643	0.3
269.05557	0.4
269.08505	9.2
270.08887	0.4
294.58948	0.3
311.09384	2.0
311.22394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16931	0.9
58.02969	2.0
59.01360	4.2
69.16659	3.9
70.02977	8.9
71.01366	3.5
71.02499	3.4
72.00901	4.1
87.00866	15.8
89.02422	3.2
95.02492	7.1
98.22617	2.2
100.99548	1.1
101.02465	1.1
111.02012	2.1
113.03562	39.7
114.01151	1.3
114.01962	32.1
131.04616	100.0
132.04933	1.3
132.06667	1.7
145.33992	0.8
172.28650	1.0
179.05669	1.2
212.98068	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	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
59.01379	100.0
60.01702	0.8
69.49107	0.8
69.49506	1.3
71.01371	5.6
72.55785	0.4
73.02946	2.8
76.55654	0.4
80.31589	0.5
83.01395	1.7
83.05025	0.6
85.02947	3.6
87.00893	0.5
87.44324	0.5
95.01416	0.5
99.00903	0.7
101.02450	5.3
112.04045	6.3
113.02457	2.9
116.07172	8.3
116.07952	0.7
130.05148	2.3
135.04538	0.5
143.03490	0.8
161.04552	3.9
167.03496	0.7
191.05641	0.5
203.39256	0.5
267.07651	1.0
267.17120	3.6
269.10361	4.1
310.20316	0.5
311.16473	4.4
311.20132	0.6
311.81970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
58.45056	2.1
58.99601	17.4
59.01375	93.2
67.93646	1.9
69.29012	3.9
69.29401	5.0
71.01365	16.3
72.99323	3.2
73.02942	7.4
74.99103	4.5
81.51006	2.5
85.02951	6.8
86.76884	2.6
91.05508	2.2
99.04514	4.9
101.02428	6.8
102.98595	100.0
102.99286	4.8
111.04464	2.5
113.02467	5.0
115.03983	2.7
120.99662	4.2
121.02958	2.7
123.04522	5.5
134.03662	3.1
135.04507	6.2
137.04308	2.1
137.71153	2.0
143.03487	19.3
145.06593	2.9
147.04517	5.9
149.06068	7.1
161.04573	9.0
163.00677	3.0
163.07652	2.9
165.00989	2.4
167.03467	9.5
178.33595	2.0
207.06601	29.7
267.07458	5.0
269.10284	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	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13385	0.9
59.01377	100.0
71.01379	5.9
71.01724	1.0
71.43062	1.0
73.02953	2.2
74.34872	0.9
80.18762	0.9
83.01395	1.8
85.02937	3.1
101.02431	4.2
107.30768	1.0
112.04044	4.7
113.02416	1.7
116.07164	8.4
116.68810	0.9
125.02440	1.5
129.05850	1.4
130.05069	1.5
142.06580	2.6
143.03468	3.7
147.27777	1.0
161.04559	3.6
167.03468	3.7
177.18742	0.9
267.07507	7.5
267.17148	2.8
269.10291	2.5
311.16470	4.5
317.15646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69632	0.5
54.44945	0.5
59.01376	100.0
60.01707	1.2
61.98819	1.8
64.02373	0.5
66.09911	0.6
70.14194	1.5
71.01382	2.9
73.02928	1.0
80.61112	0.6
85.02969	1.4
87.04554	0.7
89.02467	0.8
92.45248	0.5
96.96013	0.7
101.02414	2.7
113.02435	1.0
114.01958	0.8
115.00369	0.7
121.02931	1.0
131.03531	1.5
132.03001	1.2
134.04749	2.7
153.05617	0.9
161.04587	2.0
163.04004	0.9
186.99216	2.8
189.05579	0.9
196.06120	1.2
197.04611	1.1
201.00807	1.8
229.00269	11.5
251.11377	4.8
290.64630	0.6
312.07397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31916	1.8
51.23416	2.1
59.01381	100.0
64.52847	1.8
66.33346	2.3
70.59130	4.2
125.82977	2.1
139.73038	2.3
143.10765	25.6
145.19881	2.1
161.13480	2.4
206.29417	2.6
207.13899	64.1
208.14325	3.9
234.62903	2.2
251.12862	6.2
267.71683	2.5
269.13910	2.9
311.14935	2.7
311.22192	3.5
329.52621	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	311.2016
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.79206	0.2
56.50955	0.2
63.19311	0.2
64.77394	0.2
79.95728	0.3
98.95576	0.3
106.31754	0.2
112.07137	0.2
133.06583	2.4
134.06982	0.3
149.09712	100.0
150.10031	4.3
161.32544	0.2
183.01199	5.7
184.01968	1.7
197.02823	0.5
250.92935	0.2
311.16815	13.8
311.20163	58.2
312.17117	1.1
312.20425	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
58.59671	0.8
59.01381	1.6
69.26068	1.7
69.26469	3.5
71.05031	1.4
83.05005	2.1
111.08170	2.5
123.08138	1.4
135.91818	0.9
139.11287	2.6
141.12868	1.3
141.86429	0.9
149.09744	2.7
151.11299	4.8
153.12859	2.1
157.08681	3.3
169.12370	0.9
171.10286	1.6
177.12863	2.1
181.12270	1.2
195.10211	2.8
213.11299	1.9
249.22226	2.4
261.46909	0.9
275.20239	2.0
281.08224	5.2
282.08524	1.0
293.21228	92.8
294.21460	7.1
296.10748	1.3
311.22272	100.0
312.22571	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93152	0.6
66.00446	0.5
69.15894	0.9
69.16305	2.2
118.73188	0.7
125.09739	3.8
139.11310	0.9
141.09200	2.2
141.12854	1.1
153.09224	1.8
155.14427	1.8
157.80392	0.6
171.10243	1.8
181.61246	0.7
181.69548	0.6
183.13986	0.7
200.10602	3.2
214.37930	0.6
236.06580	0.6
247.77802	0.6
249.22218	2.3
265.21567	1.4
267.23325	1.7
293.21274	7.3
311.22269	100.0
312.22601	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01373	3.4
60.25602	2.2
61.98846	3.4
65.34929	2.5
67.05352	2.4
69.03990	2.4
69.91151	8.1
73.58953	3.0
85.28666	2.6
86.30556	2.4
115.84522	2.9
119.49056	2.2
119.94651	5.0
159.53969	2.9
170.88365	3.5
188.48607	2.3
230.35051	2.8
240.00583	2.7
249.22244	32.2
293.21225	15.7
296.79269	2.7
311.17090	16.1
311.22299	100.0
312.22580	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70294	0.6
57.03426	0.7
57.24252	0.7
62.92627	0.6
71.03108	0.6
80.02697	1.0
83.05024	1.6
84.02186	1.0
88.40910	0.6
113.09708	0.9
136.59503	0.6
139.11295	2.4
166.42569	0.6
171.10280	2.2
177.12851	1.1
179.14397	1.6
181.75359	0.5
185.11775	0.8
194.00775	0.7
211.13338	3.9
223.13406	56.7
224.13770	2.6
241.14478	2.2
293.21231	14.8
294.21527	1.1
311.22287	100.0
312.22556	6.7
330.84732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33585	0.8
51.70676	0.9
52.85001	0.8
57.06963	0.8
60.59768	0.7
70.48903	1.1
71.05021	1.6
77.62631	0.9
87.55594	0.8
135.92181	1.1
137.99396	0.9
139.11273	1.6
154.09999	2.2
177.12828	4.3
188.63756	0.9
195.13927	3.1
196.14630	0.9
206.39670	0.8
249.22194	3.5
293.21213	78.6
294.21533	5.2
311.22269	100.0
312.22617	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19118	0.5
70.86105	0.7
73.78709	0.6
84.38816	0.6
113.09708	0.6
115.07638	1.1
127.07604	1.3
128.08409	0.9
142.09167	0.7
144.13698	0.6
149.02467	0.6
149.35431	0.5
163.23009	0.5
167.14421	3.8
168.91327	0.6
176.93268	0.5
183.13863	3.0
191.82494	0.5
195.12175	1.1
195.13884	12.0
196.14291	0.8
196.65593	0.6
211.13411	1.2
213.14981	1.1
235.63770	0.5
242.15170	1.4
265.21753	0.9
267.23398	1.0
275.20349	0.8
283.22650	0.9
293.21167	7.8
294.21710	0.7
311.22256	100.0
312.22641	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83719	0.7
52.90989	0.8
66.98798	0.7
69.18451	4.5
72.70985	0.8
80.27814	0.8
89.41258	0.7
101.23679	0.8
125.06040	0.9
125.09731	5.2
139.11298	1.6
141.09195	2.3
141.12840	1.6
148.29071	0.8
153.09209	2.7
155.14404	2.5
169.12398	1.0
171.10245	2.5
180.28448	0.8
183.13959	0.9
185.11954	0.8
200.10550	3.4
201.48126	0.7
216.05324	0.7
249.22234	4.2
265.21765	1.3
267.23285	2.5
293.21265	8.9
311.22272	100.0
312.22610	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.98962	0.6
62.51904	0.6
62.65009	0.5
70.43525	1.1
86.56478	0.5
92.43974	0.5
96.57177	0.5
113.09867	0.5
115.07643	0.8
133.06627	1.5
136.70758	0.6
149.09718	100.0
150.10060	4.7
167.14442	1.8
183.01204	10.1
183.13905	1.4
184.02011	1.0
195.13908	7.2
197.02888	0.8
211.13255	1.1
213.14966	0.7
228.42290	0.6
249.22267	0.6
265.21790	0.7
293.21268	4.4
305.86517	0.7
310.18732	0.6
311.16718	15.6
311.19922	33.8
311.22421	37.8
312.17117	1.4
312.20380	3.5
312.22964	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54527	0.7
59.01371	0.8
69.45472	0.6
70.30884	0.6
71.04323	0.8
71.05001	0.9
75.88779	0.6
78.05592	0.7
97.02968	0.7
97.06593	1.1
99.08176	0.9
113.09728	2.6
121.10237	0.9
125.09708	1.1
127.11301	0.8
134.62428	0.8
139.11281	10.3
155.10788	1.0
163.11311	2.8
164.11977	0.7
165.12819	1.2
167.10785	1.4
167.14462	1.0
168.11491	1.0
171.10265	11.7
182.13054	0.8
201.11407	0.7
211.13377	2.1
230.69475	0.7
249.22212	2.9
255.62495	0.8
293.21213	60.4
294.21655	4.0
306.70340	0.7
311.22269	100.0
312.22635	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01370	0.9
71.04792	1.7
74.44954	0.9
82.55347	0.8
99.08161	2.3
113.09725	2.6
121.10190	1.0
127.11330	1.3
129.09206	6.3
139.11249	1.4
167.10733	1.2
168.91829	1.0
169.12364	3.1
171.10249	6.5
181.12372	4.1
183.13852	2.5
193.12364	2.8
197.11832	11.5
199.13368	5.5
211.13385	19.2
275.20163	1.5
293.21179	19.4
294.21558	1.8
305.29877	1.2
311.22260	100.0
312.22678	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03431	1.1
59.01367	1.1
61.40910	0.8
61.98820	0.7
72.14651	0.6
76.31003	0.6
98.22608	1.6
99.08157	2.0
113.09742	1.1
123.08115	0.9
125.09724	1.9
127.11293	2.3
129.09232	3.4
135.60573	0.6
137.09727	0.7
139.11282	7.6
155.10826	1.9
165.09206	0.9
169.12431	0.9
171.10263	35.3
172.10542	1.3
181.12323	2.1
183.10251	2.7
183.13928	0.7
185.11841	6.0
189.47792	0.7
197.11884	4.1
199.13405	1.8
201.11327	8.5
211.13423	6.7
220.83441	0.7
228.67827	0.9
249.22281	0.8
275.20145	3.1
293.21213	13.6
311.22266	100.0
312.22635	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03448	0.7
57.64469	0.4
59.01366	0.6
70.06242	1.0
83.40375	0.5
87.49714	0.4
89.06130	0.5
93.03454	3.6
96.14567	0.4
111.08167	0.9
112.87584	0.5
125.09738	1.0
137.09753	0.6
139.11285	3.0
141.12888	1.5
143.10818	1.6
145.18570	0.4
149.09724	1.7
155.10783	2.6
167.10757	6.2
167.14455	0.7
168.25383	0.4
183.01228	6.6
183.10292	0.9
184.01868	0.6
185.11877	1.2
197.88568	0.4
205.15941	1.0
214.12172	1.6
249.22295	1.5
265.21759	1.0
267.23376	1.5
275.20175	0.8
289.43750	0.4
293.21225	9.2
294.21469	1.0
311.17117	13.0
311.22330	100.0
312.17163	1.3
312.22629	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.56912	0.4
57.03441	0.8
59.01354	0.5
59.78585	0.4
59.87943	0.4
68.35799	0.4
69.21680	2.1
79.42937	0.5
91.66772	0.4
97.06589	1.3
98.22647	0.6
117.24593	0.4
123.08178	0.7
125.06060	0.4
125.09730	4.6
138.52972	0.5
139.11290	1.5
141.09232	2.2
141.12856	1.5
143.10774	0.5
149.09637	0.4
153.09210	1.9
155.14369	2.8
157.12341	1.7
169.12294	0.5
171.10263	1.7
181.16054	0.4
183.01210	4.5
183.13985	0.9
200.10562	1.1
205.53389	0.4
239.23804	0.8
249.22273	3.1
265.21814	1.3
267.23340	1.5
275.20300	0.8
283.22903	0.7
290.44791	0.5
293.21204	7.2
294.21698	0.4
311.17105	8.6
311.22275	100.0
312.17068	0.7
312.22635	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.00330	0.7
58.00591	9.8
59.01363	1.7
70.66087	0.6
71.01344	0.4
73.02940	1.7
91.64394	0.5
109.06585	1.9
125.09718	0.7
127.07665	5.2
127.11283	1.3
155.10866	0.6
165.09099	0.6
170.88281	0.6
171.10292	0.9
183.13885	23.0
184.14250	0.7
185.15324	0.5
193.59554	0.4
195.13905	1.8
199.09708	0.5
201.11325	12.7
213.14984	6.7
223.13420	2.1
241.14470	6.4
242.14630	0.5
275.20169	2.1
293.21228	7.5
311.22253	100.0
312.22577	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49636	0.5
57.03446	1.7
59.01372	1.5
61.84579	0.5
66.00025	0.5
67.53635	0.5
69.03472	0.8
70.48566	0.7
70.89265	0.4
71.05042	0.7
76.33013	0.6
81.03449	0.6
82.85786	0.5
83.05015	1.6
85.58294	0.5
97.02947	1.4
97.06591	0.9
99.08152	2.0
102.50391	0.5
113.09742	3.2
114.94458	0.5
121.10245	2.8
125.09725	2.2
127.11290	2.1
134.99261	0.6
137.09749	1.2
139.11302	7.7
147.04509	0.5
149.09747	0.7
155.10789	0.9
165.12910	1.3
167.10800	0.9
171.10280	31.2
172.10643	1.3
183.10246	1.0
185.11771	4.6
193.12335	11.7
194.12801	0.5
197.11864	0.7
201.11354	2.7
209.11800	0.6
211.13373	5.9
228.84113	0.6
249.22208	1.3
253.90944	0.5
267.44193	0.6
275.20175	2.0
293.21240	19.4
294.21533	1.9
307.22052	0.7
311.22278	100.0
312.22623	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	312.0063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
61.98844	3.4
65.42398	0.6
69.16162	1.3
69.16562	2.8
74.99396	0.8
98.21867	1.5
99.86829	0.7
99.98906	1.9
101.99751	0.8
117.00448	8.8
123.90182	0.9
124.98385	0.8
126.00488	7.2
126.98168	1.9
129.00421	2.9
141.99966	66.0
143.00044	3.0
159.01514	0.9
166.99471	0.8
167.99626	2.9
168.91682	1.0
168.99123	3.5
169.89488	1.7
169.99454	100.0
170.97832	16.8
170.99158	8.5
171.01410	6.5
177.98306	1.0
179.95512	1.8
184.01009	25.6
185.01166	0.9
248.54065	0.8
259.01675	1.9
265.91565	0.9
281.35461	0.7
312.00726	2.2
312.99109	2.1
313.02734	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	312.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.99894	1.1
59.01370	6.4
68.19946	0.7
69.52926	1.2
69.53323	1.9
71.01381	14.8
71.05006	0.8
72.00907	7.6
74.99375	6.1
78.01115	1.1
82.06662	1.6
85.02956	5.8
87.04513	38.8
88.04054	1.2
88.04855	0.8
89.86250	0.9
96.95988	0.7
98.21901	1.0
101.02440	1.4
101.98135	0.8
106.00643	2.0
107.05054	2.5
111.03035	1.7
113.02455	3.5
114.02020	1.7
115.00388	7.0
115.04025	3.2
117.00462	1.0
121.02954	19.4
122.06171	0.7
123.00895	1.7
123.43542	0.7
125.00983	1.3
128.07185	15.2
129.00427	1.6
130.08817	2.0
131.03510	1.0
132.03023	4.8
137.00946	0.9
138.03204	5.2
138.04140	0.7
139.02632	1.0
143.02016	3.4
145.03572	37.5
146.03732	1.2
150.05611	2.1
151.04034	2.6
153.05576	12.8
154.03612	1.9
155.02036	4.6
157.03659	0.7
159.03018	3.8
161.04541	0.8
170.99962	1.2
171.01521	5.3
173.01434	1.6
173.02985	1.7
180.99867	1.3
181.01253	5.5
181.99393	0.9
182.02171	1.2
186.06216	1.7
186.99352	1.2
187.04680	0.9
188.07854	2.1
196.06223	3.3
197.04564	34.1
197.06389	1.4
199.00992	66.7
200.04163	9.0
201.04333	1.0
202.05717	1.8
213.04449	1.4
213.06262	5.1
214.05769	0.9
214.98787	1.3
215.07777	3.1
238.09346	6.6
240.10938	5.3
250.07271	1.6
256.10410	27.2
257.10614	2.9
258.11954	42.2
259.12265	3.4
266.08890	1.7
268.08096	1.1
268.10501	8.1
294.08368	9.5
295.08447	1.1
312.09460	100.0
313.01929	1.4
313.04239	3.8
313.09573	9.9
326.30453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
61.98811	6.6
65.34841	5.7
69.86020	13.8
69.86359	8.3
78.57429	5.1
79.56149	6.4
102.79673	5.8
121.02961	22.5
135.04472	6.3
138.10155	5.6
139.27043	5.9
157.08757	12.3
175.62537	5.1
190.34053	7.1
193.65726	5.4
196.28186	5.5
230.96140	5.4
254.09451	100.0
269.11829	51.9
294.21515	19.3
312.22543	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02453	5.8
59.01380	7.1
69.39178	29.9
116.26260	6.9
126.90224	6.4
139.58310	6.4
151.12253	7.8
155.66803	7.2
253.08833	16.0
254.09477	71.8
269.11853	100.0
312.22345	7.8
313.10925	11.6
313.20236	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	313.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67805	0.5
59.01363	1.5
69.03439	1.5
69.14613	1.0
69.15016	2.5
71.01385	13.1
73.02959	0.7
74.99378	1.1
78.01105	0.7
85.02951	7.1
87.04517	8.5
87.90035	0.6
89.00319	0.6
89.02430	1.3
91.01897	0.7
91.29521	0.6
101.02418	0.9
106.00603	1.3
107.05023	4.4
108.02155	0.7
113.02436	3.2
115.00378	4.7
115.04005	2.4
121.02955	20.4
125.00965	0.9
127.02512	1.9
128.07124	1.1
131.03522	1.8
138.03220	2.3
143.02007	4.8
145.03577	24.9
146.03735	2.0
151.03993	3.4
151.22195	0.6
153.05574	15.7
154.05959	0.8
155.01909	2.8
159.02977	3.2
161.04570	0.7
170.99947	1.2
171.01483	6.5
173.01335	1.7
180.99904	1.9
181.01204	2.0
181.07217	0.6
182.02145	2.5
186.99301	0.6
187.04626	0.6
197.04555	44.6
197.06532	2.3
198.04910	1.5
199.00981	100.0
200.01146	6.9
201.04355	0.8
211.02812	0.8
213.06194	6.1
214.98740	1.4
215.07745	5.7
239.02402	0.9
241.05717	1.2
249.13629	0.5
251.04298	0.7
257.10529	1.5
259.05063	1.2
259.12155	2.0
260.39252	0.6
278.05923	0.6
295.03256	0.7
295.08517	0.8
313.04605	8.8
313.09537	5.8
314.09250	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	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74185	0.7
57.45264	0.7
59.01373	1.0
70.51135	1.5
71.01380	20.4
72.99318	0.8
78.00618	0.7
78.01113	2.1
81.48690	0.7
84.56744	0.7
86.65636	0.7
89.00340	2.1
91.01869	1.8
98.31007	0.7
101.61342	0.8
106.00597	3.2
115.00384	12.0
115.03973	0.9
121.02958	43.9
122.03291	1.6
123.00878	2.0
138.03250	5.8
143.14999	0.7
153.05582	29.3
154.05896	1.1
159.03000	1.3
166.99869	1.3
182.02187	4.8
197.04547	100.0
198.04893	4.2
316.40649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42422	0.9
65.93596	0.9
68.73305	0.8
69.58368	2.0
69.58746	1.9
71.01382	22.8
77.06168	0.9
78.01124	2.3
89.00331	2.8
91.01905	2.4
106.00578	4.5
107.24812	0.9
115.00378	10.1
121.02950	65.0
122.03281	2.0
123.00901	4.4
138.03209	8.2
153.05573	38.7
154.05919	1.6
166.99852	2.6
182.02220	6.5
189.40741	1.0
197.04538	100.0
198.04887	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	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00698	0.7
51.00938	0.6
55.25509	0.6
70.74219	1.2
71.01382	22.9
78.01093	1.9
89.00320	2.8
91.01858	1.2
106.00628	4.3
111.00863	1.2
115.00378	11.2
121.02956	47.1
122.03250	1.5
123.00858	3.4
138.03207	6.3
139.00372	0.7
145.38541	0.6
146.41052	0.6
153.05569	36.9
163.83124	0.7
166.99858	1.3
182.02180	4.1
197.04544	100.0
198.04921	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	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99957	0.6
71.01379	22.9
78.01105	1.1
89.00329	2.3
91.01920	1.2
96.65628	0.7
96.96000	0.8
97.02951	0.6
106.00606	3.8
107.05000	0.8
109.02973	0.8
113.02407	0.7
115.00364	10.2
121.02956	48.3
122.03246	1.3
123.00862	2.7
138.03215	6.0
153.05565	30.6
154.05873	1.2
166.99875	1.3
176.04036	2.3
182.02211	4.6
188.30838	0.8
197.04546	100.0
198.04948	3.5
239.07378	0.7
313.13150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61451	0.8
51.67397	0.8
71.01380	23.4
71.29398	0.9
78.01108	1.8
89.00332	3.1
99.28149	0.7
99.92059	0.8
106.00620	3.7
115.00359	9.8
121.02957	58.7
122.03272	1.3
123.00878	3.1
125.34041	0.7
138.03214	6.5
153.05582	42.1
154.05861	2.1
156.11131	0.9
166.99913	1.3
171.68121	0.9
182.02235	5.4
197.04552	100.0
198.04857	3.3
300.18909	0.8
301.03296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
60.11256	0.5
69.22482	0.4
75.58211	0.3
108.02165	0.8
111.46296	0.3
121.02956	100.0
122.03262	2.4
126.80502	0.4
171.56146	0.4
172.75874	0.4
180.05804	1.4
181.06607	4.7
225.05568	6.3
226.05939	0.7
228.48151	0.4
228.50752	0.4
313.07181	17.4
313.20135	0.6
314.07620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62046	0.2
55.01867	0.3
56.97927	0.2
59.01371	0.8
63.02411	0.3
67.01891	0.2
70.22385	0.5
71.01378	23.6
72.01701	0.6
73.02951	1.0
78.01096	2.5
79.16263	0.2
83.01386	0.8
85.02957	1.7
89.00321	2.9
89.02460	0.2
91.01907	1.6
93.03450	0.2
95.01381	0.6
99.00883	0.5
101.02436	1.6
106.00603	3.8
106.04212	0.7
107.05030	7.6
111.00867	0.5
111.84573	0.2
113.02452	1.6
115.00372	10.9
121.02953	49.9
122.03280	1.4
123.00880	2.9
127.00333	0.6
133.01523	0.4
136.98813	0.5
138.03215	6.1
139.00351	0.4
139.03961	0.3
149.63651	0.2
151.03998	6.0
153.05568	34.2
154.02702	0.3
154.05882	1.2
159.02968	0.4
161.04558	0.9
166.99867	1.7
174.37411	0.2
182.02200	5.7
183.02448	0.2
194.28992	0.2
197.04538	100.0
198.04887	4.0
221.46793	0.2
255.24855	0.2
323.11395	0.2
331.91046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.108
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01350	1.0
67.16122	0.9
69.83163	0.9
69.96061	1.8
71.01372	1.1
78.71657	0.8
82.00607	2.6
88.52185	0.8
91.02186	0.9
92.02678	43.2
95.01389	22.4
106.00544	0.9
108.02178	21.5
121.02959	2.4
123.00884	1.9
136.01662	100.0
137.01996	2.8
151.04018	1.0
155.42389	0.8
267.19019	0.9
269.09091	1.5
269.11813	8.7
313.10831	35.7
313.14227	1.4
313.23807	2.1
314.11176	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.52295	0.4
67.09999	0.4
69.66219	1.3
71.05027	1.0
79.76669	0.3
83.05020	0.5
84.02174	0.4
98.22600	0.5
99.08150	1.8
108.90805	0.4
126.76914	0.4
127.11272	1.7
137.09683	0.5
139.11279	1.7
141.12892	1.9
169.15993	1.4
171.10239	0.8
185.11804	0.5
197.06866	0.3
199.09669	0.4
201.11331	4.1
202.11734	0.4
213.14934	0.6
225.02304	0.4
234.39862	0.4
251.23723	0.8
267.23172	0.4
277.21652	0.6
293.21100	1.8
295.22806	4.6
311.22290	0.4
313.23825	100.0
314.24176	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.81248	0.4
55.01783	0.4
58.00593	3.4
59.01379	0.6
97.06602	0.8
99.08154	16.5
101.09752	0.6
104.45962	0.4
113.40659	0.4
117.96196	0.4
127.07674	3.1
129.09215	19.8
161.85475	0.5
183.13892	36.2
184.14250	1.8
191.69162	0.4
191.87267	0.4
195.13850	2.9
201.11354	1.8
253.46310	0.4
259.48615	0.4
269.11972	0.5
277.21701	3.3
295.22769	8.6
296.23056	0.5
302.87933	0.5
309.07654	0.4
311.22095	0.6
312.95517	0.4
313.23825	100.0
314.24194	7.9
326.81888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.90832	3.1
59.01353	4.6
61.98824	8.3
81.34330	3.7
96.95973	4.5
99.08149	19.2
108.02164	13.4
121.02915	5.0
129.09227	20.8
154.90524	5.1
170.88365	8.8
183.13908	32.9
228.84290	4.5
254.85631	14.5
278.43198	4.3
295.22751	9.7
313.23822	100.0
314.24088	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03435	0.6
59.01371	0.7
61.98820	1.1
62.67597	0.3
69.18967	0.8
69.19376	1.6
69.82373	0.4
71.07826	0.4
73.02928	0.5
74.07340	0.3
106.66329	0.4
108.02206	0.5
109.43127	0.4
116.27801	0.4
125.09710	1.7
127.11270	1.7
141.12868	2.3
143.10728	0.9
153.09189	0.5
155.10736	0.5
155.14420	0.5
169.12312	0.5
171.10274	12.3
200.10454	0.6
227.88943	0.4
267.23129	0.9
277.21844	1.1
283.22769	0.9
295.22757	3.2
311.22290	2.7
313.23822	100.0
314.24158	8.1
322.05215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.54557	1.0
54.27209	0.8
59.01365	2.9
61.98814	0.9
71.47711	0.9
83.05028	1.3
97.06583	7.3
99.08161	3.5
108.02174	2.9
121.02907	0.9
125.06104	3.0
127.07693	1.2
143.07141	29.5
155.07208	2.0
155.80377	0.9
160.81339	0.9
167.14442	1.3
169.15994	5.1
173.08157	2.4
228.77666	1.1
277.21793	7.8
278.22110	1.0
295.22818	8.2
313.23837	100.0
314.24170	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	314.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78066	8.9
59.01387	18.3
61.98830	11.7
62.06926	9.8
69.55082	29.3
83.32103	10.0
97.82107	10.5
108.02184	24.9
132.75989	9.8
147.66568	10.8
170.88409	16.3
217.00293	19.9
241.05000	50.9
255.06609	12.4
256.07352	35.1
271.09833	100.0
314.10483	12.9
315.12332	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	315.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48402	1.8
69.03460	24.0
69.50185	4.7
69.50577	3.8
71.01385	5.6
72.81751	2.1
78.95910	5.6
85.02932	5.1
106.86333	2.0
108.02176	100.0
109.02974	31.5
109.34259	1.9
111.00884	7.5
111.40816	1.9
112.01657	24.4
113.02453	16.7
115.04003	5.1
133.01430	3.5
139.45708	2.1
152.01163	66.6
153.01945	28.6
157.01430	15.6
159.02989	7.3
254.99948	2.3
265.99261	2.0
314.99384	2.4
315.03534	4.6
315.07217	71.2
316.07605	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25279	5.1
59.01367	4.8
66.19875	4.8
68.12013	4.7
69.00336	4.7
69.03445	73.4
69.57140	19.2
71.01369	19.9
78.95885	24.2
85.02948	13.0
87.00855	5.3
93.56419	4.9
96.46582	5.4
96.53672	4.8
96.96001	5.8
98.37897	5.6
108.02168	50.7
109.02950	34.1
111.00876	22.5
112.01661	100.0
113.02437	72.7
115.03976	8.0
120.99637	8.6
124.72493	5.3
152.01143	39.4
153.01927	28.7
157.01405	69.1
159.02957	8.0
178.99706	5.8
228.55698	5.3
255.00040	7.5
255.09418	7.4
260.93457	6.6
315.07184	42.9
316.07309	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01363	1.4
65.16039	0.5
70.60838	1.3
71.01370	2.4
72.99319	0.7
73.02933	1.0
81.03454	1.2
85.02959	1.5
93.03442	0.6
95.01323	0.6
101.02412	0.8
108.02173	100.0
109.02970	46.5
109.15466	0.6
110.03308	1.2
113.02441	0.7
115.00381	2.5
115.04017	2.1
121.02985	1.2
123.04546	2.9
128.11626	0.6
133.01428	5.0
135.00850	0.8
145.03584	0.7
151.04036	1.5
152.01151	65.0
153.01941	44.7
153.02957	0.8
153.05536	3.7
154.02281	1.5
155.01978	1.8
157.03635	0.9
159.02991	1.6
163.04002	1.6
165.01891	1.4
170.65924	0.6
187.04594	0.8
199.01030	3.0
201.02510	4.2
213.92258	0.7
225.04144	0.7
236.98952	0.8
241.02020	2.1
253.02013	0.8
254.99994	7.7
256.00134	1.0
282.51801	0.6
308.39130	0.6
315.07211	96.6
316.07486	5.1
319.83594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.39518	0.3
56.06707	0.3
57.49374	0.3
58.06535	0.3
59.01378	3.3
71.01363	1.0
81.03448	0.5
88.04030	1.5
89.02454	0.6
96.96957	0.5
97.02941	0.4
98.22604	0.7
101.02429	0.5
107.05035	1.6
108.02186	2.7
109.02952	68.1
109.06583	0.7
110.03297	2.1
111.04506	0.3
114.01891	0.3
118.98095	0.3
120.99649	0.7
121.02926	0.4
123.00887	0.4
123.04549	2.1
135.04526	1.1
136.04022	0.6
137.06090	0.4
152.01154	1.4
153.01936	100.0
153.05513	7.1
154.02272	2.7
171.88657	0.4
199.04967	0.6
214.00401	0.4
214.62332	0.3
217.00322	1.0
266.24023	0.3
315.07288	17.8
315.10873	2.4
316.07373	1.6
336.01910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.95561	0.5
57.34943	0.6
57.35268	0.6
59.01365	0.6
70.73900	0.9
70.74249	0.8
71.01368	1.8
73.02943	1.3
81.03445	1.2
85.02956	1.7
90.83684	0.6
101.02423	1.0
108.02170	100.0
109.02963	43.4
110.03253	0.8
121.02905	1.3
123.04478	1.1
135.04507	2.0
143.03528	2.2
148.84894	0.6
151.04018	1.8
152.01147	59.2
153.01933	45.1
154.02258	1.8
161.04500	2.3
163.03979	1.0
165.01918	1.0
200.68106	0.6
211.24690	0.6
217.00143	0.7
225.04109	1.1
297.04749	2.0
315.07202	91.0
316.07465	5.3
327.25800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.66093	0.1
57.03456	0.2
59.01365	0.4
69.20113	0.1
69.63009	0.1
71.01373	0.2
74.47560	0.1
81.03465	0.4
89.02421	0.2
91.01906	0.2
95.05041	0.2
97.06586	0.2
106.68945	0.1
107.10604	0.2
108.02170	2.0
109.02948	66.3
110.03274	1.5
112.27661	0.1
123.04523	19.1
124.04857	0.6
135.04524	0.4
139.03979	0.2
152.01163	0.9
153.01938	100.0
153.05547	27.9
154.02275	3.0
154.05884	1.0
166.99890	0.2
176.04057	0.5
176.54202	0.5
178.94017	0.1
179.03510	0.2
180.03827	0.2
210.84930	0.2
218.79535	0.2
219.12393	0.1
262.04327	0.1
315.07245	17.4
315.10696	1.3
316.07562	1.1
316.10645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0873
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
58.72661	1.1
59.01384	6.2
65.03949	1.9
67.01891	3.1
71.41895	1.4
75.85877	1.1
83.01381	5.3
90.44102	1.4
93.03464	2.4
95.05029	1.5
97.02936	6.3
106.04321	1.7
107.05035	7.8
108.02175	2.4
109.02212	2.6
109.02955	53.2
115.92078	2.2
119.05026	1.4
121.02946	4.1
121.06596	2.3
122.03713	2.4
123.04516	25.2
133.06587	1.5
134.03629	1.7
135.04521	5.6
139.04008	2.7
145.02927	2.0
147.04506	2.0
149.02428	8.6
149.06044	1.8
151.03999	41.4
159.04568	2.2
161.02518	2.5
161.06065	7.8
162.03165	2.4
163.04004	16.5
165.05525	3.9
165.15271	1.3
175.04037	2.1
176.04042	3.2
176.54179	2.8
177.05524	4.0
186.06750	1.2
187.04010	2.0
188.04752	1.9
190.02745	3.9
190.81902	1.3
191.03490	9.3
193.05009	2.1
199.07707	1.4
203.07045	6.8
205.05034	20.8
213.05447	1.4
214.06467	1.5
217.00317	2.6
229.08673	8.4
231.02956	1.9
235.09714	2.0
247.06107	2.6
247.09724	1.9
259.08765	1.2
271.09781	13.6
297.07526	1.2
315.05679	3.5
315.08722	100.0
316.09039	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	315.1085
Annotation	Glochidionolactone E
Peak:m/z	Relative Intensity
50.85694	0.5
53.07372	0.6
55.01878	1.8
57.03448	1.0
59.01378	42.3
69.03437	1.5
70.47745	1.1
71.01377	19.3
73.02952	1.4
81.03471	2.9
83.01412	1.6
83.05002	1.2
85.02959	4.4
87.00887	1.9
88.98817	0.8
89.01912	0.6
89.02437	15.1
89.54084	0.5
93.03447	0.9
95.01397	1.8
97.02949	9.1
101.02447	10.8
101.16908	0.5
106.72123	0.6
107.05026	47.8
107.30978	0.5
108.05400	1.3
109.02958	1.8
109.06585	18.6
110.06910	0.8
111.04507	2.8
112.04807	0.5
113.02446	5.1
119.03497	5.9
120.99654	1.5
121.02905	0.6
123.04508	1.7
125.06088	1.3
130.25421	0.7
135.04524	48.8
136.04823	1.5
137.02437	2.7
137.06075	19.1
138.06444	0.7
151.04005	3.5
152.04764	0.8
153.05573	100.0
154.05954	3.6
179.05621	1.0
195.06725	0.6
197.04410	1.0
199.04993	1.0
225.06630	0.7
315.10834	92.6
316.11163	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
56.51183	0.2
59.01372	1.0
71.01367	0.5
74.99117	0.2
81.03458	0.4
89.02438	0.3
93.03454	0.5
95.05035	0.6
98.21899	0.7
101.02465	0.5
108.02173	3.8
109.02946	19.0
110.03327	0.7
113.02501	0.3
122.03747	0.7
123.04520	68.9
124.04845	2.1
135.04561	0.6
136.03999	0.4
152.01140	2.9
153.01955	25.3
153.05566	100.0
154.02284	1.1
154.05917	3.9
165.31837	0.2
176.03981	0.3
176.54199	1.0
197.04602	0.2
315.07162	7.5
315.10825	4.9
315.14478	0.3
315.17664	0.3
316.07520	0.5
316.10895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01394	0.4
66.12617	0.1
69.31490	0.8
71.01392	0.2
81.03458	0.3
81.99059	0.1
85.02950	0.2
91.83738	0.2
93.03474	0.3
95.05038	0.6
108.02190	0.3
109.02947	0.4
113.02437	0.3
122.03727	0.7
123.04524	67.5
124.04839	1.8
130.08731	0.3
132.04561	0.4
135.04539	1.1
144.53372	0.2
151.07632	0.5
153.05573	100.0
154.05911	3.3
165.58900	0.1
173.04488	0.1
176.04092	0.8
176.54234	1.4
179.03453	0.4
183.10303	0.2
297.79480	0.2
315.10635	5.0
315.13553	0.7
316.11063	0.4
326.82990	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	315.1086
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.00814	0.3
51.53449	0.3
55.01866	0.8
55.31466	0.4
56.88307	0.4
59.01377	15.8
64.65614	0.4
69.03481	0.4
69.84385	1.3
71.01382	6.5
73.02943	0.4
81.03454	1.4
83.05029	0.4
85.02945	2.1
87.00880	1.0
88.04011	0.6
89.02443	7.0
91.83508	0.4
95.01395	0.5
97.02948	4.0
101.02435	3.8
107.05028	18.3
108.02148	0.4
108.05357	0.5
109.02948	1.1
109.06591	6.5
111.04536	1.3
113.02463	2.7
118.98043	0.5
119.03498	2.8
120.99628	1.3
122.06095	0.4
123.00891	0.6
123.04520	38.2
124.04853	1.4
125.06040	0.4
125.56921	0.4
135.04523	18.8
136.04858	0.8
137.02423	1.5
137.05070	0.6
137.06088	8.1
151.03993	1.1
152.01138	0.4
153.05573	100.0
154.05911	3.5
166.99863	0.7
177.87190	0.4
197.04561	0.7
199.02527	0.7
199.05005	1.0
217.00293	1.7
232.97704	0.4
249.67760	0.4
260.52887	0.3
315.06924	1.5
315.10837	38.5
316.11108	3.3
319.24518	0.4
330.77844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1235
Annotation	Monocillin II
Peak:m/z	Relative Intensity
50.92438	0.8
56.30221	0.7
59.01379	1.8
87.73745	0.7
106.04230	1.1
106.57708	0.8
121.02949	19.1
122.15130	0.8
123.04527	0.9
149.02438	37.9
149.06001	1.2
164.04807	18.1
165.05135	0.9
189.84975	0.9
196.03760	14.1
217.00220	1.8
232.58980	0.9
255.10286	3.0
303.61496	0.8
315.12366	100.0
316.12729	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	315.1235
Annotation	Monocillin II
Peak:m/z	Relative Intensity
59.01373	1.8
59.34735	0.6
61.98833	0.9
63.84340	0.6
65.00343	0.8
69.83821	1.6
77.03958	0.8
93.03466	1.0
96.99256	0.7
97.98838	0.6
105.03439	1.4
121.02966	2.4
132.95901	0.6
135.04530	3.7
136.05304	8.1
142.62230	0.8
163.04005	3.6
164.04781	10.8
173.06061	0.7
179.03500	2.1
183.08046	0.7
217.00276	1.2
223.07542	1.1
239.07083	2.8
255.06401	0.7
256.07553	0.8
257.08218	2.3
267.06631	5.6
269.08179	3.3
271.13535	1.2
272.10498	1.0
282.09006	2.0
284.06818	1.7
285.07733	7.1
287.12872	3.2
299.09305	10.5
300.09912	3.0
313.10825	1.5
315.12381	100.0
316.12674	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	315.1237
Annotation	Monocillin II
Peak:m/z	Relative Intensity
101.65524	0.5
108.46327	0.6
113.12706	0.6
121.02964	2.7
135.04523	14.6
136.05307	49.8
137.05669	1.5
151.07693	0.7
163.03999	8.1
164.04793	41.3
165.05151	1.4
168.04283	0.7
267.06439	0.9
270.05252	1.2
272.10239	0.7
285.07632	2.0
287.12888	17.1
288.13293	1.8
300.10068	3.2
314.24185	2.0
315.12366	100.0
316.12656	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	315.1599
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.14521	0.4
59.01395	0.9
61.98817	1.1
70.14556	0.9
170.88455	0.5
217.00374	0.6
219.84558	1.0
253.16005	3.3
254.85872	0.5
271.17032	19.1
272.17453	1.5
315.16003	100.0
316.16321	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	315.1601
Annotation	CHEBI:70690
Peak:m/z	Relative Intensity
59.01377	6.0
61.98833	2.2
77.75034	0.7
95.05028	1.6
96.96000	1.3
97.06630	1.3
107.05018	1.9
109.02940	6.8
123.04533	2.7
135.08150	2.4
151.04001	2.4
160.05354	0.8
161.06134	1.9
163.04016	1.8
163.07567	0.7
177.05550	0.8
177.45975	0.8
186.97244	1.0
205.05028	2.1
206.43938	0.8
215.10806	1.3
217.00275	1.5
227.07120	1.5
228.63866	0.8
237.12785	1.4
239.10764	2.1
242.09520	2.0
255.14105	1.1
259.13425	3.8
263.10791	1.1
264.11664	2.5
269.15442	1.1
270.65250	0.8
271.09689	1.4
277.12457	1.1
279.14001	2.5
281.11914	3.8
282.12564	4.3
293.33322	0.7
297.14948	100.0
298.15237	8.7
302.71777	0.8
315.08881	8.8
315.12625	1.8
315.15851	8.9
315.18637	0.8
316.16260	0.8
328.44095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1963
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
59.01361	1.0
70.45061	1.0
99.74352	0.4
113.58844	0.4
120.60325	0.4
135.59428	0.4
217.00246	0.8
223.02827	0.5
225.02597	1.9
233.15466	2.0
244.11110	0.9
254.16711	5.6
257.12100	0.5
267.14014	1.5
269.19098	3.4
282.16248	33.8
283.16705	3.6
297.18588	1.1
297.71732	0.4
315.19635	100.0
316.19958	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	315.1965
Annotation	(+)-Phomactin C
Peak:m/z	Relative Intensity
59.01358	1.5
64.88642	0.5
69.43739	1.0
69.44083	1.6
71.01385	0.8
71.05029	0.6
95.05032	1.2
98.21835	0.9
106.88988	0.5
135.08182	1.8
141.12875	0.7
143.28207	0.5
151.11281	1.2
163.07639	4.4
171.15681	0.6
201.09245	1.9
203.14389	1.1
208.97490	0.5
212.11963	0.5
213.12837	0.6
215.10706	0.9
217.07236	2.3
229.12309	0.7
239.14415	1.2
243.10373	0.6
244.11063	0.8
254.16788	9.2
267.13849	1.5
267.23257	1.2
269.19116	11.6
269.24701	2.6
270.19403	1.0
271.17001	0.8
278.11313	0.8
282.16232	7.4
283.16760	0.7
285.18683	1.1
287.20151	13.5
288.20596	1.7
297.18634	1.4
313.24634	0.6
315.19650	100.0
315.25153	20.1
316.20010	10.4
316.25940	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1963
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
59.01381	0.3
62.54074	0.1
69.08171	0.8
77.94797	0.1
106.49049	0.1
118.21577	0.1
201.05580	0.1
215.07071	0.2
217.08771	0.2
229.08675	1.9
230.09352	0.2
231.10335	0.2
232.99898	0.1
243.10098	0.8
244.11038	3.3
245.11551	0.2
251.24129	0.1
257.11755	0.6
279.27625	0.1
285.14996	0.9
299.16586	1.0
300.17151	1.3
315.19629	100.0
316.19965	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
59.01369	3.0
61.98820	2.3
71.42120	1.1
75.82380	1.2
83.05000	1.4
96.95997	1.4
108.48001	1.1
111.44274	1.3
121.02927	1.3
124.26279	1.3
127.11298	3.4
136.05307	5.2
141.12840	3.6
143.10748	2.4
149.06075	3.0
155.10750	1.3
164.04849	3.3
171.10265	2.2
171.13866	1.6
217.00409	3.2
254.85669	1.6
279.23358	1.9
297.24380	10.8
311.22354	1.4
313.23776	8.0
315.12396	7.5
315.16003	3.3
315.25388	100.0
316.12634	1.6
316.25748	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	316.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42218	0.3
57.03398	0.3
59.01370	0.8
65.99830	0.3
69.03427	0.4
69.51794	0.7
69.52175	0.5
71.01374	0.9
83.04992	0.3
84.93875	0.4
85.02934	0.4
87.00890	0.7
95.01372	0.5
99.92592	3.8
100.92712	0.5
100.93346	3.5
108.02151	0.4
109.02975	0.6
110.03298	0.4
113.02480	0.2
115.92075	6.5
116.92856	18.3
117.92860	1.1
121.02955	0.5
122.03349	0.4
123.00890	3.3
123.08156	0.3
124.01687	6.3
130.01921	0.3
130.08730	0.7
133.04967	0.3
135.39369	0.3
139.07687	0.3
140.01146	0.4
153.00664	2.3
153.01770	0.5
153.05562	0.5
154.01456	100.0
155.01793	2.5
166.99876	0.4
167.07088	0.6
168.00188	0.5
169.01529	0.3
185.08168	0.3
198.04909	0.8
199.02434	0.6
200.02768	0.8
200.05428	0.3
216.86626	0.3
226.01700	0.3
254.01218	1.8
272.02274	0.9
316.01514	1.3
316.06729	17.1
317.07025	1.3
317.11081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92871	17.1
57.00576	17.0
59.01381	21.2
61.98829	64.0
69.30294	100.0
70.72105	19.0
72.84529	18.5
81.50201	20.2
98.22652	34.1
114.45655	19.5
122.03742	23.5
127.07869	18.2
219.84282	19.3
258.09039	30.0
273.11438	59.2
289.21835	32.5
317.13998	36.0
317.21243	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
84.28345	10.4
99.42751	10.8
121.02946	100.0
153.00592	11.1
156.65582	9.6
174.05516	12.3
232.81529	9.8
258.08932	99.5
258.90894	9.5
273.11340	80.1
289.21906	21.4
316.11917	12.0
317.13788	13.5
317.21292	42.3
320.92105	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	316.1189
Annotation	Cliviahaksine
Peak:m/z	Relative Intensity
52.47347	1.6
56.20419	1.5
59.01397	1.9
69.61147	2.0
69.61494	5.2
73.02919	2.0
77.52022	1.4
79.05518	2.0
96.96010	18.7
98.22558	2.3
122.03732	3.6
122.06176	1.7
133.05307	3.5
135.06897	2.2
147.08147	4.7
148.07681	12.3
153.00699	1.9
162.09241	1.8
172.07666	2.0
173.08336	1.8
184.07652	1.6
191.07121	16.8
200.10820	3.6
210.12900	4.6
212.10892	2.1
215.11601	1.5
228.13907	49.4
229.14268	3.3
230.08360	2.6
247.64729	2.1
250.29504	1.7
254.11813	8.0
256.09787	4.5
257.10583	6.1
272.12903	100.0
273.13223	6.4
289.21780	9.1
316.08429	3.0
316.11902	42.3
317.14313	37.6
317.21103	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	316.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	34.3
61.98824	37.3
71.41959	25.7
115.81695	18.9
122.03753	24.4
126.14105	20.4
153.00626	25.0
165.05516	39.3
228.17517	28.7
231.32483	22.3
272.16458	63.0
289.21689	70.8
317.10333	57.8
317.13916	100.0
317.21155	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0665
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
54.95522	0.5
57.03444	15.6
59.01374	1.5
63.02393	3.7
65.00320	6.5
68.99795	0.5
81.03452	1.3
83.01380	10.0
83.05024	0.7
95.01387	4.7
96.02156	3.1
96.96018	1.3
99.00885	1.1
107.01373	4.8
108.02201	1.3
109.02946	1.5
111.00868	3.1
118.87223	0.5
122.03725	4.3
123.00857	3.0
124.00723	0.6
124.01657	16.9
125.02440	100.0
125.09716	0.6
126.02791	2.5
134.03745	0.7
136.01654	0.9
137.02454	0.8
139.00383	1.3
146.03748	1.7
147.04546	0.6
148.01660	0.9
149.02432	3.7
150.03204	2.2
151.00372	13.2
152.01143	35.4
153.01871	2.8
153.05638	0.5
156.40894	0.5
159.04504	0.6
161.06027	0.6
165.01938	1.0
165.05598	0.9
169.01387	0.9
172.05374	0.7
178.99863	9.6
180.00671	2.8
181.01279	0.5
181.12245	0.6
186.06859	1.0
187.04004	1.4
188.04729	2.5
192.04276	8.7
199.13463	1.6
202.06264	0.6
203.07065	0.7
207.06609	7.0
207.10199	1.2
208.06880	0.5
211.03976	0.6
213.05466	0.9
214.06294	1.8
215.03520	1.1
216.04282	3.2
225.11287	2.4
227.03461	0.6
228.04312	0.9
229.05127	1.0
229.08800	1.2
230.05775	3.8
231.06580	6.9
233.04578	1.3
239.03519	0.4
243.12338	2.3
245.08057	1.7
249.07698	1.3
256.03741	0.8
257.04599	1.1
258.05322	5.6
273.07681	13.9
274.04816	4.2
274.07831	1.1
284.03268	1.6
289.07156	70.3
289.21671	2.7
290.07593	3.8
299.05563	3.4
311.92365	0.5
317.06625	70.1
317.14215	1.9
317.20859	5.4
318.06903	5.3
318.13379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.6
62.03015	2.4
69.95097	6.3
71.01379	4.0
76.87979	2.3
79.95721	2.7
87.00853	2.3
95.05022	2.3
98.21978	3.3
110.02501	7.0
118.21512	2.4
120.04512	2.6
121.05336	3.1
122.06130	13.8
123.03279	13.2
134.06113	16.4
136.04042	52.5
136.07678	78.2
137.04787	10.9
138.05597	30.7
138.25740	2.5
141.96864	2.5
149.04849	11.9
150.05580	4.7
152.07098	2.8
155.10785	2.3
159.05611	3.7
161.40944	3.1
162.09280	6.2
163.11192	2.9
168.06660	3.2
189.07899	10.9
199.13370	13.3
200.07150	6.6
201.07941	10.1
202.12340	2.8
207.10263	3.5
212.10770	11.1
215.09537	6.1
221.06783	3.2
225.11269	11.6
230.11836	57.5
239.08226	6.2
240.09132	13.3
243.07739	3.5
243.12230	3.8
244.08284	4.8
245.09431	3.1
255.11372	100.0
256.11728	7.4
257.09326	4.7
273.12433	45.9
274.10660	5.5
282.24152	3.1
289.21716	6.0
299.10248	3.3
317.11298	41.8
317.15973	17.1
317.19977	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60489	1.1
57.03439	2.0
59.01380	30.9
64.66949	1.2
66.98461	1.3
67.01867	1.6
69.27358	6.7
69.27651	1.4
71.01375	2.9
73.02924	1.7
74.46114	1.3
76.06397	1.3
83.01400	1.3
83.05031	2.2
85.02943	2.1
90.90171	1.3
95.05027	2.0
98.21899	3.2
99.00912	1.3
101.02466	2.5
107.04987	1.2
110.02498	1.3
120.04546	3.6
122.03643	1.2
122.06144	6.7
123.03275	2.4
125.02456	7.1
134.06120	18.3
136.04008	3.0
136.07651	5.2
138.05603	7.1
150.05559	2.9
151.06331	2.0
152.07208	6.2
159.05626	5.3
195.05376	3.0
201.07884	3.8
212.10835	9.2
215.09560	3.1
225.06693	2.3
226.07462	4.3
230.11850	23.5
231.12054	2.2
239.08237	4.4
240.08969	6.6
255.11374	100.0
256.11728	5.2
273.12488	9.2
275.14886	2.6
282.17056	1.3
289.07199	4.6
317.06699	5.3
317.11063	2.7
317.16101	1.6
317.19809	6.0
318.13510	1.8
336.20584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1394
Annotation	Zearalenone
Peak:m/z	Relative Intensity
56.09564	0.8
68.23377	0.8
70.81151	1.2
80.89248	0.7
83.05080	0.8
85.11072	0.9
98.27964	0.7
108.02165	1.5
111.04511	1.4
121.02950	3.5
122.03678	0.9
123.04527	60.1
124.04858	1.3
126.11433	0.8
128.33948	0.7
132.44521	0.9
136.05290	5.2
147.04552	1.1
148.05292	2.1
151.04010	100.0
152.04802	36.6
153.05589	7.3
165.05585	1.2
177.96449	0.8
254.05862	2.0
259.04037	1.1
269.08151	1.8
272.06940	2.1
275.12848	1.2
284.10522	3.5
287.09250	4.2
289.21732	1.1
299.12860	10.0
300.13287	1.3
302.06067	2.2
302.11603	86.5
303.12009	7.6
317.13928	81.7
317.21423	2.5
318.14236	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	317.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17358	6.6
55.01875	78.2
59.01368	9.6
65.15739	5.4
69.54835	9.9
69.55203	12.6
76.34146	5.7
83.05017	5.7
106.04230	15.0
109.02807	7.8
111.04550	5.2
112.96290	5.2
120.25093	5.4
121.02966	28.8
122.03712	37.9
123.04505	9.0
134.07430	6.2
135.04524	57.1
136.05309	100.0
137.02431	15.3
137.06137	7.6
150.03233	7.1
150.06845	21.7
151.04002	24.2
151.07646	12.5
165.05505	7.3
178.06348	35.8
179.07109	10.1
223.20665	11.3
241.08669	8.0
241.21669	11.9
243.10132	12.3
257.11826	95.0
272.03421	5.8
272.10532	8.9
287.09219	31.4
287.12686	10.7
289.21664	46.8
298.32617	7.0
299.13022	7.0
302.11469	27.5
317.10562	8.8
317.13934	79.0
317.21152	83.1
318.21625	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	317.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22320	0.5
59.01372	0.9
79.95737	1.8
95.95214	3.3
96.66063	0.6
96.96004	52.7
122.03741	2.8
289.21805	5.8
317.14240	100.0
317.20615	8.3
318.14636	7.2
318.21381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
59.01379	9.8
64.58405	1.4
69.03436	1.7
69.31670	3.5
69.32076	4.6
70.45937	1.3
71.01374	3.3
71.05009	5.7
81.03452	1.5
89.02433	1.9
91.03955	1.6
93.03433	1.6
95.05011	1.5
97.02933	5.1
97.06599	4.1
98.22639	2.8
99.00873	30.5
109.06580	1.8
110.03744	3.1
122.03753	7.4
123.04498	1.7
123.08157	2.3
125.02428	2.8
125.09713	13.9
127.11292	2.2
136.05299	1.7
141.09251	1.6
151.03961	1.6
155.14491	2.6
159.44022	1.6
163.11285	18.1
163.12535	2.3
165.01862	2.6
181.12326	55.5
182.12715	3.0
197.11903	1.4
199.13367	45.1
200.13705	2.3
207.08261	2.8
207.10243	53.7
208.10666	3.0
213.05563	1.8
225.11305	100.0
226.11684	6.2
243.12349	97.8
244.12741	3.7
289.21640	12.1
299.18729	1.7
317.06619	6.0
317.16000	92.7
317.20856	22.7
318.16382	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01375	6.5
61.29739	1.2
69.57620	3.2
71.01376	2.9
71.05008	6.5
83.05024	2.2
89.02463	1.2
91.04014	3.8
93.03465	2.5
97.02928	4.7
97.06583	3.4
98.22527	2.3
99.00880	27.5
109.06610	2.6
110.03732	2.8
110.70454	1.1
111.08060	1.7
112.04041	2.2
116.05074	2.5
120.01250	2.6
121.03000	1.5
122.03758	9.0
123.04506	2.2
123.08211	1.9
125.09710	12.0
135.04576	1.3
136.05292	1.4
153.12852	1.8
155.14415	2.2
163.11299	16.5
173.04463	1.7
181.12329	54.1
182.12692	2.1
199.13382	41.2
203.08272	1.6
207.10263	52.8
208.10663	2.7
225.11299	88.6
226.11667	3.3
243.12349	92.7
244.12674	6.3
255.11456	1.4
289.21707	16.3
290.22037	1.5
299.10226	2.4
317.16016	100.0
317.20648	23.0
318.16345	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	317.212
Annotation	3alpha-Hydroxy-2,15-dioxo-ent-labda-7,13Z-diene
Peak:m/z	Relative Intensity
50.10273	3.0
57.41381	2.8
57.85183	2.9
61.98820	4.8
71.41365	3.6
83.68797	2.6
90.97169	2.6
91.02229	4.5
92.92802	5.7
121.05249	2.8
122.03735	27.5
123.04598	3.0
135.04501	3.9
156.72354	3.9
170.44421	2.9
204.29895	3.7
221.84297	4.7
254.85704	7.1
289.21722	67.6
289.24924	4.6
290.22137	3.8
317.13544	8.5
317.21194	100.0
317.24979	4.7
318.21762	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	318.1345
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
57.03431	1.0
57.34617	0.4
61.66632	0.5
68.60019	0.5
69.03458	10.7
69.35062	1.6
69.35477	1.0
72.67626	0.6
73.02943	6.8
90.93659	0.5
95.05036	1.0
97.06595	0.8
106.06612	0.6
107.05025	3.3
109.06572	2.2
120.08179	0.8
122.06155	0.9
130.06636	0.5
132.08104	0.6
133.05324	1.7
134.06071	1.2
136.07689	1.2
144.08200	0.7
146.09676	0.7
148.07687	1.0
158.09743	0.5
159.06917	0.5
160.07721	0.7
160.11353	2.6
160.78860	0.6
162.09277	0.9
174.09184	0.9
188.10762	2.3
188.14478	2.2
200.10840	2.1
202.12384	0.8
204.10185	1.0
212.14420	3.2
215.13092	0.5
228.13884	0.7
230.15468	7.2
232.13411	0.8
256.13394	3.4
274.11514	0.5
274.14496	10.6
275.14792	0.8
300.12375	2.6
318.13449	100.0
319.13785	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	318.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11871	0.4
55.14814	0.5
57.03442	4.6
58.00559	0.9
59.01376	13.0
69.03453	0.8
70.02949	0.5
70.79257	0.5
70.95448	0.7
71.01382	8.8
71.05003	1.6
72.00890	1.2
73.02943	20.3
74.02455	0.6
81.03436	0.8
82.02988	0.7
83.04986	0.9
84.02133	1.1
85.01643	0.5
85.02927	1.3
86.02457	2.3
88.03519	0.8
88.04039	12.9
98.06105	1.2
114.05582	1.1
116.07156	1.6
121.02955	0.6
122.03780	0.6
151.76881	0.5
152.03505	1.0
166.01431	1.5
181.15912	1.0
183.17526	15.8
184.17859	1.0
197.19110	0.9
209.19102	7.0
211.20641	11.4
212.20940	0.5
221.19060	2.3
223.20656	100.0
224.21007	6.7
227.20145	1.9
239.20160	4.0
241.21718	76.5
242.22098	5.2
246.81763	0.5
264.23383	1.4
270.04022	0.5
271.22751	1.1
282.24265	0.5
300.25449	8.5
301.25757	0.7
318.09790	1.9
318.13452	0.6
318.26471	24.6
319.15634	1.0
319.26810	2.5
330.75934	0.5
330.80280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	34.7
61.98803	6.5
71.01385	28.5
71.40905	4.4
71.41335	4.8
73.02922	7.1
85.02955	8.0
87.00883	6.1
87.23712	4.9
89.02437	9.5
101.02436	10.8
101.80910	4.8
113.02469	7.1
113.06073	10.3
121.02956	100.0
128.03514	4.8
136.62097	4.8
140.07135	16.1
141.75552	4.4
145.08322	5.0
157.05006	12.8
161.04578	9.1
182.08154	5.5
189.00380	4.7
190.36621	4.6
216.64771	4.2
259.11810	13.4
319.10303	6.2
319.13730	23.8
319.22504	7.5
319.76859	5.3
320.14838	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	319.0818
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
52.74730	1.0
55.01890	1.4
56.87675	1.0
57.03440	3.0
59.01369	4.5
65.03955	1.9
67.53431	1.2
68.99789	1.5
71.01378	4.3
72.00911	2.9
72.42690	1.1
73.02937	3.2
74.02474	1.8
81.03445	6.2
83.01371	2.9
83.05020	6.3
85.02946	2.0
87.00853	1.1
89.02446	1.5
93.02864	2.0
93.03449	35.0
95.01384	4.8
95.05040	1.5
99.00887	4.4
99.04515	2.2
108.02168	6.5
109.01723	6.5
109.02946	8.9
110.02487	6.6
111.00859	8.1
111.04519	14.4
113.02434	3.6
114.01934	1.5
116.05090	5.4
117.03428	7.0
119.05023	91.5
120.05337	2.7
121.02856	1.4
122.03771	1.3
123.00887	2.9
123.04512	4.2
124.01657	2.5
125.02441	19.4
135.04459	1.4
136.01642	4.0
136.07677	2.8
137.02444	46.3
138.03276	1.7
138.05585	3.9
139.00372	9.5
139.04018	1.3
141.01924	18.9
141.29562	1.1
142.06656	1.4
145.02948	18.0
149.02422	4.2
150.03203	1.7
151.00409	2.2
151.04028	6.2
153.01933	18.0
153.05490	1.2
155.02402	1.9
155.03531	23.2
160.01639	1.5
161.02460	2.0
163.04005	100.0
164.01163	4.0
164.04382	3.7
165.01903	2.6
165.05568	1.9
166.02676	1.5
167.03526	3.5
173.04523	2.1
175.03993	1.8
176.03493	2.6
177.01915	1.7
195.02901	2.8
199.03897	1.1
200.04810	1.9
201.11298	2.3
203.08247	11.7
209.11807	4.2
217.05156	1.4
218.05917	1.5
233.08124	1.6
242.05937	1.8
275.09381	1.6
283.07367	9.3
283.10147	1.6
286.04834	5.1
301.07086	8.4
319.08215	39.3
319.13718	2.1
319.17441	2.5
319.21515	5.0
320.08630	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	319.0819
Annotation	Ourateacatechin
Peak:m/z	Relative Intensity
50.70775	0.4
57.03168	0.6
57.03445	10.8
59.01377	2.3
63.63063	0.4
71.01379	0.8
71.42878	0.5
83.01376	2.1
87.00853	0.4
93.03464	2.5
95.01367	1.3
97.02948	1.9
101.02417	0.5
108.02200	0.6
109.02937	3.1
120.02184	1.6
121.02945	4.9
123.00858	0.5
124.01617	0.7
125.02439	100.0
126.02757	2.3
133.02940	2.5
136.01660	0.5
137.02443	7.4
139.03992	1.7
147.04568	0.7
149.02454	1.4
159.04492	0.9
161.02437	21.9
162.03078	1.9
163.00340	1.2
164.01138	18.6
164.02545	0.6
164.07210	0.5
165.01923	25.6
166.02333	0.8
167.03552	0.6
173.06021	0.5
175.04010	1.1
177.01947	1.4
191.05595	1.7
196.03712	0.4
197.04517	11.5
200.04716	0.6
201.05472	0.7
203.03537	1.6
215.07169	0.4
215.12863	0.5
217.05006	0.6
218.05711	0.5
225.05606	0.8
233.01279	0.7
243.06642	1.2
258.99280	0.7
259.11862	0.7
269.04529	1.5
275.09192	0.6
283.07108	0.5
287.05563	6.9
301.00262	0.7
319.01434	1.2
319.08307	5.4
319.13895	3.8
319.17352	0.6
319.22321	0.8
320.08499	0.5
336.98499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0823
Annotation	Ourateacatechin
Peak:m/z	Relative Intensity
54.87680	0.8
57.03447	7.8
59.01369	7.9
67.01858	0.9
69.03447	2.2
71.01370	1.8
71.05011	1.0
73.02930	1.7
74.02457	0.9
81.03444	3.8
83.01387	6.8
83.05016	3.3
85.02940	3.2
85.06590	1.7
87.00852	1.1
93.03467	4.1
93.68532	0.8
94.28733	0.8
95.01376	1.9
95.05025	5.1
97.02943	13.2
97.06600	1.2
99.04512	3.3
108.02165	0.9
109.02956	4.5
111.04498	1.2
111.15673	0.8
113.03566	2.1
113.06069	2.2
115.00401	1.0
115.07647	2.5
120.02138	1.2
121.02949	10.9
122.03748	2.2
123.04527	1.8
124.01659	19.9
125.02449	48.6
129.05577	1.0
133.02974	1.2
135.04524	2.2
136.01724	1.2
137.02437	33.9
138.03227	29.5
139.04016	18.8
147.04495	0.9
149.02469	2.6
150.03214	0.9
151.04016	4.1
153.01929	1.8
153.05597	1.8
159.06596	1.2
161.02396	7.4
162.03136	1.6
164.01161	15.0
165.01938	12.7
166.02718	10.1
167.01764	0.8
167.03467	3.3
170.02176	1.0
173.06084	1.1
175.03995	8.9
177.01981	4.8
178.02742	1.2
179.03506	13.2
181.05078	5.7
189.05597	3.7
191.03748	1.1
191.05605	15.9
192.04243	1.3
192.99641	1.1
193.05013	1.4
197.04515	1.9
197.11673	1.3
199.04007	2.0
201.05466	1.6
203.03477	6.4
204.08586	1.1
215.12871	7.1
217.05049	11.6
218.05821	11.7
220.03767	4.9
231.06505	1.2
233.08218	4.0
235.06100	6.6
236.06862	7.2
241.05040	1.7
241.10791	2.4
242.05818	1.3
243.02966	2.4
243.06635	3.0
245.04506	1.8
251.09383	2.0
259.06247	1.7
259.11844	29.2
260.06870	20.8
260.12134	1.5
261.07291	1.1
269.04840	1.0
275.09216	11.8
276.09549	1.2
277.06976	1.4
286.04965	1.9
287.05743	1.4
301.07083	2.1
301.10016	2.2
301.13141	2.1
319.08191	100.0
319.14227	4.3
319.22534	3.3
320.08475	6.0
320.18658	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	319.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80145	1.0
59.01375	50.6
61.98812	1.6
69.15933	1.2
71.01379	20.1
71.41483	1.4
72.99345	1.1
73.02943	3.5
80.02654	1.5
83.01331	1.2
83.05029	2.1
85.02959	9.4
89.02442	19.8
93.07099	7.6
95.01389	2.1
95.05021	31.3
99.00908	1.5
99.04490	1.3
101.02438	12.3
109.06596	3.7
111.08124	1.6
113.02451	12.5
113.06087	91.3
114.06439	1.9
114.65011	1.1
115.04038	1.3
119.03511	8.0
121.02904	1.3
125.06076	1.8
127.07642	13.2
137.06020	1.8
138.05649	1.5
139.04002	11.8
143.03532	1.8
155.07127	12.5
157.05054	100.0
158.05408	3.1
161.04529	3.3
179.05562	3.5
199.06107	4.4
232.17009	1.8
241.10858	1.3
244.99663	1.3
258.15054	1.6
258.66376	1.2
259.08136	2.2
259.11847	3.4
287.10446	1.2
299.16061	1.2
306.83652	1.1
319.10129	4.3
319.13858	10.7
319.17413	2.7
319.22775	1.9
320.15045	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	319.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44402	1.2
59.01379	18.6
69.19155	7.5
71.62108	1.0
72.68139	1.6
73.02946	2.1
79.94062	1.3
83.05029	3.7
88.04043	1.2
89.13240	1.1
93.03441	3.6
94.24780	1.1
105.53998	1.2
111.05367	1.2
121.02959	100.0
121.06571	1.4
122.03265	1.8
123.00900	5.9
123.04535	5.2
125.02470	9.9
136.01694	1.9
136.05301	90.6
137.05655	2.8
141.33331	1.4
151.07635	19.8
168.04276	18.5
172.05313	6.7
173.06108	1.8
183.08130	4.2
183.17560	3.0
195.06660	5.7
197.09808	1.2
211.20587	1.7
223.20680	9.4
224.21089	6.0
226.33900	1.3
228.07935	1.7
237.32036	1.2
239.10760	3.5
241.21643	9.5
242.22156	2.8
243.10239	8.8
247.13431	1.4
275.12866	11.6
307.15662	1.3
318.26505	2.9
319.22592	3.2
328.30991	1.4
331.47888	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	319.1187
Annotation	Cavoxin
Peak:m/z	Relative Intensity
58.46510	0.8
69.18739	5.2
87.00864	1.3
91.61121	0.8
93.03436	1.5
97.06575	2.8
99.04539	1.0
106.04251	20.3
111.04500	6.1
121.02937	1.6
121.06573	2.0
125.06096	1.8
135.04509	15.1
136.05301	77.6
137.05629	2.6
138.03201	4.3
142.53232	1.1
150.06862	2.9
151.07593	2.7
151.42307	0.7
153.05574	26.7
163.66382	0.9
168.04250	1.5
183.10260	1.0
201.09204	1.1
215.10831	6.0
225.09157	2.4
243.10240	9.7
257.11826	100.0
258.12213	6.3
261.11136	2.0
271.09830	1.1
273.11380	1.9
275.12872	19.9
276.13199	1.4
319.22638	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	319.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28327	2.5
70.73504	2.8
72.63699	2.3
85.06590	100.0
86.06947	3.8
101.02457	6.8
157.06584	22.3
159.08154	97.7
160.08499	4.4
161.06099	4.5
173.30872	2.2
191.10785	49.3
246.84851	2.2
247.13354	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	319.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16341	1.8
69.28108	9.0
75.00906	2.0
76.60697	2.2
79.08046	1.9
85.06588	98.0
98.22584	4.0
101.02441	8.1
109.06595	2.9
130.04263	2.2
143.04990	2.5
146.03685	2.8
157.06580	20.7
159.08154	100.0
160.08470	3.4
161.06100	4.7
191.10780	42.9
247.13332	20.7
301.14203	2.4
301.53580	2.0
304.04160	2.5
319.15335	8.5
319.22531	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	319.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51003	0.9
59.01375	7.0
61.20528	0.9
69.39816	2.3
69.40202	2.2
71.01396	2.5
84.04554	2.0
93.03458	2.3
95.05038	1.1
101.96717	1.0
108.48975	0.9
112.04029	12.3
119.05009	7.7
120.04568	6.7
121.05336	10.7
122.06122	14.0
123.03267	13.9
124.04047	15.6
134.06143	2.3
136.07681	88.5
137.02440	2.7
137.06091	10.2
137.08035	3.1
138.05611	100.0
139.05942	3.5
140.07187	4.8
145.02913	1.9
145.43616	1.4
155.03568	1.8
163.04022	8.3
163.06500	1.5
182.04634	7.1
183.05386	11.2
184.04562	1.9
184.06143	23.2
185.06487	1.1
201.11282	1.6
209.11742	2.1
242.10809	1.7
257.12946	19.9
273.79819	1.1
275.14017	1.0
301.12143	1.5
319.09567	1.1
319.12967	7.8
343.48560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16581	0.3
54.59072	0.3
55.74724	0.3
58.00581	0.5
59.01367	0.8
61.98828	0.4
62.22978	0.4
70.96049	0.5
73.02962	0.8
80.63902	0.3
95.05015	0.8
97.06594	1.1
99.08151	3.4
109.06590	1.5
111.05244	0.4
111.08149	3.1
113.09732	2.4
116.30515	0.4
118.98064	0.8
123.08142	3.0
125.09694	2.2
127.07643	0.6
127.11279	0.4
129.09216	5.1
139.07672	1.3
141.09216	5.1
143.10776	1.3
144.04611	0.5
145.08759	0.5
149.06140	0.4
153.09200	3.6
155.04892	0.4
158.09471	1.0
159.10243	4.1
196.30580	0.4
205.15950	0.4
207.17558	1.0
235.17049	2.1
237.18704	0.6
248.60678	0.5
253.18098	5.2
256.24631	0.4
271.19128	0.9
273.20633	2.4
284.20404	0.4
301.20169	0.4
317.19540	0.4
319.21225	100.0
320.21552	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	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
57.09735	0.4
61.98809	0.4
63.45633	0.4
70.48089	0.9
167.55339	0.5
204.97478	0.5
319.22751	100.0
320.19296	1.1
320.23038	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	319.2278
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
55.01870	3.4
62.49122	1.5
72.36076	1.2
98.22661	5.0
111.08156	8.0
123.08193	3.5
137.09711	1.7
140.24814	1.6
146.19783	1.6
174.66699	1.3
207.17570	15.1
270.56793	1.4
275.23792	100.0
276.24252	6.6
319.22760	98.2
320.23239	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	320.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78628	3.8
55.78868	4.1
59.01377	100.0
69.26137	11.9
69.26518	9.5
71.01371	15.2
73.02943	7.6
83.68151	4.0
85.02939	11.3
89.02439	9.4
101.02436	12.0
104.17790	4.1
113.02436	13.0
119.03455	5.1
120.79430	4.5
161.04541	4.5
193.04944	7.3
199.04716	4.2
302.07532	4.8
320.15039	6.3
320.18723	14.5
321.11636	11.6
321.15292	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	320.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	44.7
61.05418	3.8
69.03445	9.4
69.90160	6.6
69.90497	6.0
71.01382	20.1
73.02946	11.2
77.28142	4.4
83.01361	4.8
85.02937	8.7
94.27011	4.0
101.02432	19.8
108.89468	3.7
113.02455	100.0
136.07707	6.1
140.07118	4.2
144.60831	3.6
161.04532	11.5
168.06752	3.7
207.08749	47.5
230.79785	4.1
235.11761	3.9
320.11270	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	320.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50233	6.0
61.98822	27.3
76.49932	5.9
85.96136	5.5
96.02195	8.1
116.92859	10.0
119.01881	5.9
119.94695	17.7
121.94479	6.1
123.00859	6.8
124.01690	17.5
152.01166	12.5
157.90205	6.9
160.84163	8.3
165.01845	6.7
182.27504	7.2
234.85681	6.6
267.67368	7.1
277.21619	14.0
279.46988	7.0
320.19507	90.2
320.23010	11.1
321.20679	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	321.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01367	1.2
63.70760	0.4
68.05453	0.4
69.03486	0.6
70.19139	0.4
70.74540	0.5
70.74889	0.8
71.01382	0.7
73.02935	0.8
83.05014	0.9
85.02937	1.6
87.00862	1.0
93.03465	1.9
101.06091	3.6
102.08033	0.4
103.05520	1.6
111.04497	2.4
119.05033	1.1
121.02963	0.6
127.07677	1.4
134.03755	1.0
147.04521	100.0
148.04839	3.4
155.03490	2.7
157.01495	0.9
159.08121	0.5
160.01654	0.9
162.03378	0.4
173.04556	3.2
175.04016	1.6
178.02789	0.6
193.05089	2.3
233.11824	1.9
234.61797	0.5
244.07391	0.5
277.10916	0.7
321.09857	4.5
322.10095	0.6
344.37741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0978
Annotation	Buntansin C
Peak:m/z	Relative Intensity
59.01388	3.2
68.54845	0.5
71.01369	0.9
81.03487	0.6
85.02945	16.2
87.00861	2.2
93.66311	0.5
112.62154	0.5
121.02904	0.6
127.04019	2.4
131.36519	0.6
132.01210	1.1
132.02167	14.8
133.03029	3.4
134.03743	20.7
137.02396	0.8
142.04718	0.5
149.06091	8.3
160.01654	82.4
161.01996	3.4
175.03996	100.0
176.04350	5.5
177.01912	0.9
178.02713	8.3
191.07199	0.9
193.05052	36.3
194.05420	1.9
202.02693	0.8
217.05115	3.3
219.07104	0.6
270.05197	0.7
306.07413	0.9
321.09778	46.3
322.10132	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0978
Annotation	4-O-Cinnamoyl quinic acid
Peak:m/z	Relative Intensity
51.45093	0.5
53.57954	0.4
56.71557	0.5
57.03428	1.7
59.01378	1.8
61.98840	0.6
64.44521	0.6
65.49286	0.6
69.03453	1.1
71.01384	1.0
73.02925	0.6
81.03542	0.6
83.05018	1.5
85.02960	1.6
86.87379	0.5
87.00870	1.1
93.03445	2.2
101.02411	0.6
101.06078	10.0
102.20066	0.5
103.05532	2.3
109.06569	1.4
111.04531	2.6
113.02433	1.2
119.05028	1.5
121.02934	0.9
127.04021	0.9
127.07664	2.8
134.03773	1.5
147.04521	100.0
148.04848	3.7
149.06088	0.7
155.03534	2.7
157.01413	1.6
160.01686	1.0
168.84645	0.5
173.04588	4.3
175.03992	1.5
178.02640	0.9
193.05025	3.3
205.12445	0.7
233.11789	3.1
244.07224	0.6
277.11008	0.8
321.09772	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96613	0.8
55.30866	0.8
59.01383	6.0
61.82684	0.9
69.00243	0.8
69.36933	3.6
71.01372	2.4
78.11179	0.7
81.44164	0.7
85.02950	20.2
87.00863	2.6
89.02434	1.6
99.04552	0.7
101.02467	1.1
109.02927	1.4
113.02446	3.3
121.02925	1.6
127.04011	3.3
130.32330	0.8
132.02173	17.3
133.02983	4.3
134.03745	63.7
135.04016	1.4
137.02449	3.7
139.03969	1.3
141.81480	0.7
147.04509	0.9
149.06088	19.2
160.01662	84.7
161.01999	3.8
175.04007	100.0
176.04277	4.9
177.01930	1.0
178.01160	1.4
178.02710	28.7
179.03157	1.5
188.12364	0.7
191.07069	0.8
193.05052	96.6
194.05423	3.5
194.42487	0.9
203.76782	0.7
217.05051	4.1
290.03687	0.8
321.09775	47.0
321.15341	6.9
322.10037	2.3
325.29977	1.0
343.34982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03439	1.1
59.01377	22.9
69.03458	13.1
69.32855	2.6
71.01385	14.0
72.99315	0.7
73.02945	7.9
75.00870	0.8
82.31137	0.7
83.01381	3.8
85.02946	9.1
85.39074	0.6
89.02448	1.7
93.03448	1.0
95.01379	0.8
95.60621	0.9
98.00078	1.0
99.00887	2.7
101.02447	18.7
113.02450	100.0
114.02772	2.3
125.02454	0.8
134.03787	1.1
143.03461	1.0
145.01312	0.7
159.02986	1.9
159.06538	0.7
160.04036	2.4
161.04594	5.4
173.04532	0.8
192.57622	0.7
193.05049	1.3
197.90060	0.6
203.55066	0.8
207.08739	53.3
208.09082	1.9
235.11855	1.0
321.11453	1.0
321.15271	1.2
321.22824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29720	0.7
54.73947	0.7
55.01870	2.0
57.03437	1.2
59.01378	25.0
63.93300	0.6
67.24364	0.7
69.03456	15.3
69.98303	2.0
71.01376	14.5
73.02947	7.4
83.01391	6.3
85.02950	9.0
87.00874	1.2
89.02460	3.0
95.01360	0.9
98.00105	1.0
99.00878	2.2
101.02438	20.2
113.02448	100.0
114.02798	2.3
135.43230	0.7
136.07684	1.1
159.02988	1.6
161.04547	8.8
161.65750	0.7
165.71196	0.8
168.06741	0.9
169.82307	0.7
207.08731	52.5
208.09065	2.7
235.11928	1.9
241.50946	0.8
282.40546	0.7
321.11774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87298	1.6
59.01371	6.5
61.82104	1.6
61.98851	1.5
69.14734	1.9
69.19762	8.7
71.01379	5.6
71.05013	3.5
72.02162	2.7
72.34441	1.5
73.02939	9.0
81.76305	1.6
85.02939	2.9
85.06595	3.3
87.04491	3.9
97.06574	3.6
101.06078	1.9
113.02451	12.1
113.06095	36.8
121.02959	54.2
123.00821	2.3
123.02731	3.5
123.04524	2.0
125.06087	17.8
128.98225	1.8
134.03795	2.7
136.05298	37.4
137.02390	2.2
139.07629	2.2
151.02216	4.0
151.03996	10.6
151.07693	4.7
152.70938	1.8
153.05585	5.8
168.04277	9.0
175.03973	3.5
193.05014	5.0
201.11328	2.7
202.10059	3.6
212.08313	2.3
217.12354	2.9
230.09444	24.5
231.09859	2.1
233.11816	12.5
234.12463	7.3
245.11906	11.4
249.14961	6.2
262.12061	14.7
267.16000	1.8
277.14441	100.0
278.14725	6.0
306.02023	2.4
318.74481	2.2
321.09732	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	321.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28771	0.7
54.60426	0.6
59.01380	29.6
71.01379	1.8
84.04527	0.8
89.02444	1.1
95.11240	0.6
95.45488	0.7
98.21813	1.3
101.02448	0.6
112.04060	4.1
121.05350	1.9
122.06143	4.6
123.03262	1.9
123.06938	0.8
124.04038	5.5
124.07686	7.1
126.01955	0.9
131.07181	0.6
134.06123	4.2
135.06932	0.8
136.07681	100.0
137.06073	12.5
137.08041	2.8
138.05603	14.2
138.06596	0.8
138.09227	10.1
139.05898	0.9
140.07181	1.6
173.69272	0.6
184.06125	7.8
216.13907	1.6
259.14502	21.4
260.15085	0.9
293.57684	0.7
303.13489	1.9
321.14667	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41132	0.4
57.03439	0.7
58.00584	1.0
59.01371	5.1
60.71016	0.4
69.03448	1.7
71.01376	5.7
71.05011	3.0
71.42073	0.6
73.02948	4.0
75.00890	0.6
81.03455	1.7
83.05019	7.7
85.02943	2.5
85.06588	6.4
86.03297	0.5
87.00866	0.9
87.04518	1.3
93.03460	1.7
94.03773	0.6
95.04999	1.0
97.02937	0.6
97.06587	3.1
99.04510	1.2
99.08141	1.0
101.02531	0.4
101.06062	3.3
102.98595	0.4
109.06560	0.8
111.04520	1.8
111.08143	2.9
113.02483	1.0
113.06096	5.9
113.08962	0.4
113.09729	1.0
115.04032	2.2
115.07641	5.0
115.91183	0.4
119.04978	0.5
121.06612	0.8
123.04505	1.4
123.08169	1.9
125.06075	0.6
125.09715	1.3
127.03947	0.9
129.05592	3.3
129.09189	1.6
132.04524	2.5
135.04483	0.6
139.07660	1.7
141.05577	6.2
143.07121	2.4
145.05074	3.0
151.04015	0.7
155.07103	2.0
157.05040	0.7
157.08702	1.6
159.06622	8.2
160.04030	18.9
163.04071	0.6
167.07140	0.6
169.08635	0.7
173.02455	0.7
173.04599	0.8
173.08209	1.7
175.03979	1.3
176.04259	0.7
188.04446	0.5
191.05605	12.1
192.05974	4.0
193.06139	0.9
199.04033	1.1
200.04320	0.6
205.12296	0.8
223.13417	1.2
241.14421	2.9
243.02979	0.6
244.03172	0.5
246.33371	0.4
249.11383	0.6
259.15488	5.3
267.12387	1.3
277.16504	0.9
285.13391	4.2
303.10989	1.0
303.14471	18.6
304.14883	1.4
320.57233	2.2
321.15509	100.0
322.09247	1.9
322.15881	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03450	0.8
59.01374	28.4
60.01696	0.4
71.01379	16.8
72.99297	0.4
73.02934	2.6
75.00883	0.4
81.20113	0.4
83.01382	2.8
85.02942	5.1
87.00873	1.2
89.02431	8.0
95.01379	0.9
98.03986	0.3
99.00854	0.7
99.08163	1.7
99.92561	1.4
100.93362	1.4
101.02431	9.2
111.00880	0.5
113.02438	5.2
113.09738	1.0
115.69558	0.4
115.92060	1.3
116.92850	1.7
119.03480	2.2
121.02959	0.5
132.04532	2.9
134.03752	0.6
141.09215	3.1
157.08733	0.4
159.03111	0.3
159.10254	24.6
159.32230	0.4
160.04028	20.2
160.10539	0.8
172.10907	0.4
176.96428	0.4
178.02704	0.3
193.05058	1.0
240.36943	0.4
258.97052	0.9
287.42575	0.4
303.14569	2.0
321.15509	100.0
322.09451	3.0
322.15845	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
58.00587	1.0
59.01370	6.0
69.03434	1.1
70.70418	1.3
71.01373	6.3
71.05009	2.1
73.02950	4.0
73.66455	0.7
75.00875	0.7
75.45554	0.8
81.03456	1.0
83.05019	7.9
84.04565	0.8
85.02409	0.7
85.02960	2.2
85.06583	6.7
87.04500	1.5
89.55906	0.8
93.03454	2.0
95.05041	1.0
97.02928	1.1
97.06567	2.5
99.08109	1.2
101.02435	0.7
101.06075	3.1
104.05045	0.9
109.06566	1.3
111.04481	1.8
111.08182	1.5
113.02428	1.6
113.06070	3.6
115.04002	2.8
115.07670	4.6
121.02911	1.0
123.04533	1.3
123.08163	1.7
125.06127	0.9
127.72250	0.7
129.05563	2.4
129.09233	1.3
131.03772	1.1
132.04562	11.3
139.07643	1.5
141.05544	4.3
143.07155	2.7
145.05052	2.7
155.07155	1.3
157.08717	1.2
159.06630	6.0
159.10236	1.1
160.04033	83.0
173.08168	0.9
191.05609	4.7
192.05975	1.3
200.04388	0.7
207.08562	0.9
241.14439	2.5
259.15503	5.2
277.16760	1.0
278.17468	1.4
285.13510	3.9
303.14453	18.3
304.14642	1.2
321.15503	100.0
322.09311	14.1
322.15906	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18942	0.5
59.01377	100.0
60.01724	1.4
69.33403	2.6
71.01360	2.5
78.33568	0.5
80.78320	0.6
89.02457	3.5
101.02447	1.0
113.02497	0.9
115.19788	0.5
119.03534	1.6
136.07698	2.5
137.10210	0.6
138.05649	0.7
179.05600	0.9
220.73894	0.6
227.38255	0.5
245.07678	0.5
248.05203	0.6
276.74008	0.5
320.18802	0.6
321.68668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39602	1.3
59.01367	3.2
61.98812	1.9
62.39232	1.1
63.36396	1.2
65.82486	1.1
68.99796	1.2
69.04258	1.1
71.34254	1.1
71.38000	1.4
71.54180	1.1
78.95914	3.6
81.50993	1.5
84.02135	1.7
88.51559	1.2
90.49165	1.4
96.87094	1.3
99.00866	2.2
120.95097	1.5
125.02473	2.1
141.01688	2.0
160.04037	5.4
223.20656	13.8
249.22203	1.4
251.20229	7.5
275.57169	1.4
279.19669	21.9
279.26648	2.2
280.19907	1.3
293.21283	2.1
321.20703	100.0
321.27878	15.5
322.11911	1.3
322.21024	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
59.01363	0.6
61.98813	0.4
69.11429	1.8
74.36544	0.4
82.14780	0.4
85.33083	0.4
86.72900	0.4
87.00923	0.4
91.39194	0.4
94.84669	0.4
95.01378	2.2
96.02169	8.1
111.00862	1.1
122.69780	0.4
123.00884	3.9
124.01660	15.3
128.01158	0.5
129.83960	0.4
138.03262	0.5
139.00301	0.5
142.86308	0.4
152.01143	13.5
153.01924	0.6
160.04024	0.6
162.43002	0.4
165.01949	2.2
166.02678	3.1
184.00139	1.3
223.20673	0.8
238.00717	0.4
293.21198	7.3
293.24243	0.7
294.21393	0.7
303.19775	0.4
321.20691	100.0
322.21045	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	321.2069
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
57.55920	0.3
59.01366	0.8
59.39886	0.3
61.38390	0.2
61.38961	0.3
68.16541	0.2
70.01698	0.7
76.56338	0.3
81.68443	0.3
87.00883	0.5
95.01395	1.5
96.02170	5.9
98.06602	0.3
111.00868	1.7
123.00880	2.9
124.01659	12.0
125.02366	0.3
138.03206	0.4
139.00325	0.3
151.00426	0.3
152.01149	9.8
153.01724	0.4
165.01915	2.0
166.02692	2.7
184.00153	1.2
223.20706	0.6
249.22238	0.3
268.56589	0.2
293.21194	5.6
294.21426	0.7
298.09262	0.3
303.19788	0.4
321.20682	100.0
322.21017	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	321.2067
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
64.36943	2.2
70.22215	2.0
93.06593	1.9
95.01384	3.2
96.96019	14.6
99.28523	2.0
102.93840	1.9
109.56246	2.0
121.34392	2.1
124.01656	8.1
136.57880	2.1
145.74802	2.3
152.01134	6.4
242.24959	2.2
293.21381	2.7
321.20724	100.0
322.20981	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2431
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
50.84286	3.9
56.72439	4.4
59.01379	8.9
61.98828	4.8
69.29854	10.5
69.30238	8.6
78.95919	10.6
80.96527	14.6
95.17964	4.2
103.94611	4.2
131.67862	4.0
145.56139	4.4
171.58392	4.8
221.15506	5.0
223.16988	9.7
251.16586	12.7
261.52280	5.1
292.54102	5.0
303.23383	13.5
321.17166	7.0
321.21011	19.9
321.24329	100.0
322.24478	8.2
338.51843	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	321.243
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
57.03433	2.7
59.01357	1.4
67.80716	0.7
69.39480	1.5
69.39870	1.6
71.07119	0.7
75.16930	0.6
97.86807	0.6
113.09722	10.6
132.95326	0.6
140.36559	0.8
160.03990	1.2
163.54291	0.6
177.34602	0.6
193.05058	1.2
195.13937	4.5
205.15927	2.0
207.13867	2.6
223.16989	5.5
260.86813	0.6
277.25296	0.8
300.40628	0.7
303.23376	0.7
321.20825	6.4
321.24295	100.0
322.24557	8.9
322.27762	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	322.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.3
57.03444	3.3
59.01383	10.8
69.21840	3.1
71.01389	1.7
72.00507	1.1
72.00912	22.6
74.52041	0.7
82.59168	0.8
84.89243	1.0
85.02949	12.0
88.89463	1.0
89.02442	1.9
91.05545	1.9
100.01676	0.9
101.02475	0.9
102.19376	0.7
102.50521	0.7
103.05556	2.9
113.02449	54.9
114.02792	1.3
117.20882	0.7
134.86633	0.8
141.98236	6.9
143.75772	0.8
147.04526	67.0
148.04865	3.2
161.04550	1.0
162.11685	0.8
164.07167	100.0
165.07463	3.6
174.99315	1.2
187.98802	7.2
202.97423	1.1
229.99939	1.8
322.06073	93.0
322.16544	13.9
323.06528	5.7
323.13409	1.6
323.16846	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	322.093
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
63.07695	0.2
69.47216	0.8
85.52629	0.2
94.76082	0.2
104.05056	0.9
116.05045	0.2
123.19626	0.2
131.03773	1.3
132.04552	12.9
133.04887	0.4
159.03273	0.3
160.04037	100.0
161.04402	3.5
179.89203	0.2
179.90718	0.2
222.70547	0.2
322.09308	12.5
323.09601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.093
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
56.31399	0.1
56.92397	0.1
58.63710	0.1
59.01374	0.3
61.98833	0.1
62.65947	0.1
85.98645	0.1
89.02438	0.2
104.05065	0.9
111.08142	0.1
114.05639	0.2
119.76740	0.1
120.36249	0.1
122.06155	0.2
123.94926	0.1
131.03757	1.2
132.04555	12.7
133.04868	0.5
137.06107	0.5
148.04164	0.1
158.02437	0.1
159.03255	0.4
160.04037	100.0
161.04391	3.7
176.03445	0.1
221.08228	0.3
322.09302	12.9
323.09598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02628	0.2
58.12138	0.2
59.01363	0.7
69.03469	0.3
70.90088	0.2
71.01375	0.3
77.90024	0.2
84.18391	0.2
84.82246	0.2
94.84672	0.2
101.02433	0.5
104.05049	0.9
106.16581	0.2
113.02437	2.5
114.02804	1.1
131.03743	1.5
132.04550	12.5
133.04909	0.4
134.04782	0.2
154.00819	0.2
160.04028	100.0
161.04362	3.6
173.71715	0.3
207.08696	0.8
208.08987	1.1
221.42419	0.2
258.23087	0.2
322.09296	12.6
323.09790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70070	0.1
69.66411	0.5
73.02929	0.2
76.49677	0.1
86.52337	0.1
93.03445	0.2
98.21861	0.2
99.26542	0.1
104.05042	0.9
109.02930	0.2
112.18888	0.1
121.02959	0.4
125.02417	0.2
131.03719	1.2
132.04550	13.6
133.04875	0.5
135.04503	0.2
137.02429	0.6
147.76910	0.1
149.02409	0.4
158.02446	0.1
159.03281	0.4
160.04033	100.0
161.04378	4.4
165.01903	0.2
173.06079	0.1
175.04008	0.4
201.05577	0.6
259.06039	0.4
287.05615	1.1
322.09296	13.6
323.09738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30673	33.8
55.57518	29.6
58.30348	28.0
59.01360	36.6
59.89698	29.2
63.56231	31.7
68.60299	32.2
69.79764	100.0
115.72240	31.9
146.06731	31.2
227.59265	36.8
239.09108	33.7
279.23438	39.9
322.20984	99.8
341.24118	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	2.3
69.37008	1.8
71.01358	0.7
79.95735	33.6
80.96489	0.6
93.03419	1.8
96.95996	0.6
104.36966	0.4
106.04247	6.5
108.02140	0.8
122.03734	26.7
123.04082	0.5
124.08688	0.4
137.02470	1.2
137.06081	62.5
138.06430	1.6
144.02501	0.6
159.08121	1.1
171.73468	0.6
182.95010	0.5
183.98445	0.5
193.01378	0.5
198.87653	0.5
203.07153	1.7
237.66862	0.5
243.10237	75.8
244.10570	5.3
302.49988	0.6
323.05930	100.0
324.06271	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	323.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96533	0.4
59.01379	3.7
67.84698	0.5
68.03535	0.4
70.58400	0.4
70.94431	0.6
71.01364	0.4
79.95734	19.8
85.02453	0.4
85.02961	0.7
93.03433	1.9
106.04231	6.6
108.02161	0.9
113.02415	0.6
119.03527	0.8
121.02952	1.0
122.03732	25.9
123.04024	0.7
125.02424	0.5
129.45473	0.4
136.05307	0.6
137.02469	1.2
137.06079	61.8
138.06438	2.0
151.04001	0.6
154.02820	0.4
177.09155	0.6
201.99364	0.9
214.36299	0.4
216.00914	0.5
221.08177	2.1
227.07115	0.5
233.01433	0.4
243.10243	80.7
244.10599	5.4
263.18539	0.5
305.17618	0.5
323.05917	100.0
324.06253	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	323.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	40.8
61.41653	0.8
69.03439	0.7
69.51143	2.7
71.01378	9.5
85.02948	2.2
87.00859	1.1
87.04510	43.8
89.02447	8.7
95.01337	1.0
99.00806	1.5
99.04503	2.1
101.02435	5.9
113.02436	6.9
115.03986	1.5
119.03475	3.7
127.30999	0.8
131.03499	100.0
132.03801	3.3
143.03490	10.5
161.04572	1.7
171.01482	1.0
195.55856	0.9
203.70709	0.8
240.81970	0.8
241.02002	2.4
323.00159	1.4
323.13364	15.4
324.13733	1.0
342.83163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
70.12174	1.8
71.01373	2.2
71.05027	1.5
89.02429	2.0
99.03907	1.9
99.04520	24.1
115.04031	10.3
132.37349	1.1
143.03496	100.0
144.03844	3.5
245.58765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45895	0.7
55.01851	1.1
57.03450	1.4
59.01379	100.0
59.79234	0.8
60.01727	1.4
68.99828	2.6
71.01381	18.2
73.02941	3.7
79.95701	0.8
83.01405	2.0
85.02947	9.9
87.00895	2.7
89.02443	11.0
95.01404	2.9
96.96029	3.1
96.99332	1.5
97.02950	1.1
99.00882	2.0
101.02434	10.7
101.06116	1.1
111.00896	2.8
113.02454	16.0
119.03533	2.9
129.01962	1.2
136.94051	2.0
136.95753	0.8
138.93736	1.4
143.03542	3.2
152.91748	0.9
161.04536	9.8
161.05611	0.8
162.04932	0.7
163.02710	1.3
178.05109	1.3
178.95088	2.0
179.05621	2.1
179.95074	0.9
180.94844	2.7
185.03162	1.1
187.04668	2.6
203.05658	1.2
233.06595	1.6
240.05415	0.8
241.02101	2.9
263.11374	1.9
264.05148	1.2
306.17139	1.5
312.79297	0.7
320.89917	0.7
322.96060	1.9
323.09875	6.8
323.13614	4.8
323.16873	0.8
324.07077	1.5
324.18216	5.2
349.61243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.90844	1.0
71.01379	16.0
71.05023	1.6
71.52649	1.0
73.02951	1.5
74.40907	1.0
75.45687	1.0
76.70737	0.8
83.01385	1.6
85.02958	5.0
87.00869	1.1
89.01935	1.6
89.02443	19.5
95.01368	1.0
99.04519	19.9
101.02435	12.1
113.02466	7.2
115.04002	9.9
119.03506	7.8
126.23921	0.9
131.03513	2.9
136.73450	1.0
143.03499	76.5
144.03799	1.6
147.70331	1.2
149.55878	0.9
161.04520	2.9
181.08437	1.4
182.88820	0.9
185.02898	1.0
209.06671	2.2
233.07846	1.0
235.05998	1.7
241.02025	3.7
323.10092	1.3
323.13437	35.2
324.13336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49006	1.3
55.26137	1.5
59.01376	100.0
69.24388	7.3
71.01366	3.1
71.05012	6.5
83.51697	1.5
85.02969	1.8
95.05035	2.7
96.96004	3.5
101.02405	2.0
113.02457	2.0
147.04402	1.6
151.07562	2.4
171.10242	3.4
187.11223	10.0
219.13914	9.6
243.17363	1.8
258.39056	1.6
287.16678	3.4
305.17459	3.0
323.09747	3.3
323.15137	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.59408	2.7
57.02066	3.7
57.03437	10.2
59.01381	19.3
61.34433	3.1
69.52325	2.8
71.01394	7.3
71.05006	13.3
71.42815	2.9
76.91457	3.8
80.02689	3.9
81.03464	8.4
82.96971	2.9
83.01388	22.1
83.05026	9.2
85.02949	7.0
89.02444	4.8
91.76765	2.7
95.01395	3.2
95.05031	37.9
96.51716	3.1
96.96023	4.5
97.02928	3.6
97.06594	17.4
99.04520	6.2
101.02441	3.2
108.71706	2.9
109.06600	4.5
111.04507	3.8
113.02450	5.7
113.06093	5.4
120.05808	3.4
121.02954	5.6
121.06636	3.5
123.04517	11.4
123.08140	9.7
125.06055	6.5
125.09717	33.4
130.08766	5.5
131.09041	3.9
135.08145	21.1
137.06085	2.9
149.09727	4.1
153.09201	6.3
161.04604	3.6
163.11282	9.1
167.10834	4.4
175.07736	3.1
177.28191	3.3
181.12367	4.3
185.11838	30.4
191.10727	5.3
197.11916	3.7
203.14374	8.7
207.10275	3.4
209.11815	100.0
210.12119	3.8
211.13483	8.7
235.13292	4.4
237.15015	8.6
243.17480	11.4
247.13362	9.2
249.14964	3.7
265.14410	38.3
266.14658	3.6
279.16089	3.1
287.16501	12.9
305.17548	21.6
323.15225	5.3
323.18600	51.4
324.18781	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.51740	2.4
56.53490	2.5
57.03442	3.4
59.01374	24.2
69.16454	15.7
70.42537	2.6
71.01368	2.7
73.02940	3.7
80.02686	3.5
81.03475	6.2
83.01496	3.0
83.05032	6.8
85.02966	4.7
89.02455	3.3
91.05531	3.3
97.02969	5.6
97.06577	58.3
109.06583	52.7
109.51229	2.7
110.03764	2.8
113.02451	4.6
123.08158	7.9
125.09709	49.3
135.08182	26.3
137.02487	4.3
161.06075	36.3
162.03304	2.4
163.11275	20.7
171.10184	2.4
181.12363	5.4
185.11865	3.5
207.10243	54.9
209.11734	4.1
225.11330	42.8
241.26546	3.0
261.14886	6.5
261.18542	4.2
277.18076	10.5
279.16006	61.6
280.16357	6.2
287.16489	24.2
305.17569	100.0
306.17941	7.8
323.11499	2.9
323.15106	4.2
323.18655	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	323.186
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.13883	3.2
57.03436	13.3
59.01369	11.5
61.54609	3.4
61.98849	3.7
70.26613	3.9
70.26947	5.6
71.05012	9.8
83.05027	7.8
84.78620	3.7
95.05012	10.3
97.06583	4.4
98.22662	4.2
99.92611	4.7
101.06080	8.9
109.06603	11.4
111.04527	3.7
116.92838	6.7
121.06554	4.2
125.09703	5.1
160.04030	6.7
161.04416	7.4
162.01894	5.3
165.97978	3.7
177.12788	6.7
177.14265	3.1
181.12334	5.1
185.11775	3.3
189.12944	4.1
195.13904	4.8
205.16010	3.9
209.11772	18.5
211.03210	3.6
221.11737	4.6
231.13892	4.3
237.14934	100.0
238.15257	6.6
242.45784	4.3
243.17415	6.1
263.93176	3.5
287.16522	35.3
305.17609	49.0
306.18207	6.1
323.05899	3.9
323.09457	5.0
323.18475	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
59.01373	7.0
68.87527	1.1
69.27621	1.0
70.96535	1.8
71.01370	3.2
71.05031	1.4
76.38356	1.0
80.02686	1.7
81.03465	3.4
83.05025	9.3
84.44733	1.1
95.05032	3.1
97.02929	2.1
97.06570	2.7
99.48065	1.1
107.05028	10.9
109.06592	2.5
110.03805	1.4
113.06085	1.3
121.02974	1.7
123.08151	3.1
125.02435	2.4
125.06096	4.4
125.09730	7.8
135.08145	7.1
135.43843	1.0
153.09206	13.3
163.11336	7.9
165.09235	1.1
165.12837	3.9
169.74396	1.3
176.08383	3.7
178.09961	4.4
179.10629	1.5
181.12366	2.4
185.11818	2.6
191.10777	1.6
197.11848	10.2
207.10258	7.2
209.11819	100.0
210.12181	5.3
225.11319	8.3
228.07886	2.2
236.10506	4.0
239.36147	1.1
243.17537	2.2
253.10800	1.4
254.11681	1.9
261.18561	6.4
263.16418	1.6
277.18198	1.8
279.19611	3.6
287.16617	8.9
305.17560	87.9
305.21176	24.1
306.17889	8.5
306.21216	1.8
323.06024	1.6
323.18582	13.6
323.22299	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55723	0.8
55.93749	0.7
57.03431	1.2
57.46049	0.7
59.01370	3.2
60.12901	0.8
69.03458	18.3
71.01382	3.2
71.05013	1.6
89.02432	1.1
95.05037	1.4
97.06609	1.7
109.06611	0.8
121.06629	1.2
123.04555	1.6
123.08161	3.7
125.09722	4.5
137.06128	0.7
137.09740	2.7
149.09720	1.4
151.11302	1.5
161.09752	3.0
163.11276	1.2
165.12868	1.0
167.10841	1.0
179.10773	23.1
180.11075	1.2
197.11819	48.3
198.12073	1.8
217.15961	1.1
223.09814	1.5
241.10815	8.0
261.22183	3.8
305.21210	100.0
306.21576	8.1
323.18564	19.4
323.22290	27.8
324.19016	1.8
324.22678	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54809	0.9
59.01374	1.9
59.78031	0.9
61.98818	1.8
68.69669	0.9
70.14213	1.0
70.14546	1.9
96.95996	3.6
98.21970	1.2
162.05620	1.0
165.09213	2.0
165.12791	1.4
220.36609	0.8
261.22272	4.5
265.14740	3.3
279.23859	1.0
279.26941	17.4
305.21231	100.0
306.21548	9.2
323.22226	19.7
323.25888	11.8
324.22443	1.2
324.26089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
59.01362	2.1
71.05019	0.8
83.05032	0.7
84.68920	0.6
107.08668	1.0
128.90092	0.6
137.09747	0.6
139.11301	1.2
177.12798	0.7
213.11237	0.8
214.31677	0.6
247.20610	0.8
251.23830	0.9
265.14755	1.3
277.25308	1.6
279.26910	100.0
280.27206	7.7
291.19638	15.6
292.19931	1.7
308.19818	3.5
323.22208	41.4
323.25891	44.4
324.22583	3.6
324.26202	2.9
341.26822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63844	1.3
69.64235	0.9
72.99306	0.5
82.94083	0.5
127.11324	0.6
141.12877	7.6
144.76910	0.6
155.14417	3.7
169.15999	0.6
175.92619	0.5
206.55850	0.7
223.86275	0.5
249.22255	8.2
277.21716	1.8
295.22772	100.0
296.23129	8.2
302.86951	0.6
311.65158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06384	0.4
55.25928	0.4
59.01405	1.6
59.71065	0.4
61.98858	0.5
69.03477	0.6
69.83947	1.3
71.01394	0.6
95.05070	0.5
96.96016	0.5
98.21947	0.5
109.82627	0.4
112.24061	0.4
113.02502	0.5
115.42063	0.5
123.04562	1.1
123.08240	0.5
124.05350	0.8
125.09822	0.6
125.14889	0.5
136.33865	0.5
137.06091	0.8
137.09709	1.0
139.04021	0.5
139.11353	0.5
156.04362	0.7
162.10515	0.8
165.09261	1.6
165.12901	1.7
167.10838	0.6
167.14517	0.7
179.10835	1.3
189.12924	0.8
191.14542	0.6
193.12369	0.9
197.11897	2.2
198.26828	0.4
207.13838	0.4
217.15996	0.8
225.15004	0.8
235.13512	0.8
241.10852	0.8
261.22241	4.5
265.14679	0.6
283.71481	0.5
287.20230	0.8
291.19440	0.6
295.22708	0.5
305.21219	100.0
306.21561	9.9
323.18802	1.2
323.22263	22.2
324.22437	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2587
Annotation	11(R)-HEDE
Peak:m/z	Relative Intensity
52.04737	1.5
52.24737	1.1
55.49470	1.3
59.01361	2.7
61.98825	1.8
64.07584	1.1
71.44823	1.3
113.09675	1.4
135.76515	1.1
160.04021	1.2
161.04489	1.3
162.02039	2.2
162.05656	1.3
171.50861	1.3
199.13542	5.7
199.15126	1.6
207.17438	1.7
223.17058	12.5
265.14490	2.5
305.24783	18.6
323.25882	100.0
324.26263	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	324.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45227	0.2
71.01747	0.2
106.96837	0.3
111.06123	0.2
132.04503	0.4
136.51460	0.2
144.04549	16.3
145.04839	0.6
160.04034	1.1
161.04402	0.7
162.05605	100.0
163.05946	4.6
188.03523	0.8
196.38428	0.2
196.96530	0.2
210.11295	0.2
262.18094	0.8
289.06799	0.3
306.17020	0.6
324.10928	2.4
324.18088	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	324.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31458	0.2
69.27451	0.9
69.27840	0.3
90.70574	0.2
94.00600	0.2
95.72080	0.2
144.04546	16.2
145.04846	0.7
160.04025	1.7
161.04437	0.5
162.05606	100.0
163.05959	3.7
174.87747	0.2
188.03564	0.9
236.73360	0.2
238.23878	0.2
289.07141	0.4
324.10861	2.4
324.17871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1814
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
51.91245	0.4
57.03439	0.7
57.08132	0.5
59.01385	2.1
64.22428	0.4
66.19502	0.4
68.99824	2.1
69.03434	0.5
71.01375	1.3
71.05026	3.1
73.02943	4.8
78.03069	0.4
82.01600	0.4
82.86646	0.4
85.02947	0.4
87.04499	1.5
87.59871	0.4
95.05054	0.8
96.99308	2.0
98.03741	5.4
99.78706	0.4
107.05031	0.5
110.06130	0.4
111.04542	0.6
113.02438	0.5
114.05627	0.4
115.03973	1.0
126.05646	0.6
148.00435	1.0
163.02725	1.4
168.10316	0.6
178.05063	1.4
179.03496	0.6
185.54637	0.4
187.56097	0.5
194.11780	1.0
208.13432	1.9
218.19118	0.7
236.12825	0.7
244.17088	3.7
248.51801	0.5
254.29517	0.5
262.18127	14.6
263.18430	0.9
264.05173	1.4
278.17673	1.3
280.19226	2.1
288.16052	2.4
304.15533	1.0
306.17096	24.1
307.17444	1.8
316.78409	0.5
322.16550	1.4
323.85773	0.5
324.07593	2.8
324.18146	100.0
325.18463	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	324.1815
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
50.32011	0.5
57.03436	0.8
59.01376	2.7
59.22009	0.5
68.99812	8.4
69.27750	2.0
71.01395	0.9
71.05022	3.0
73.02944	5.5
85.02956	1.1
85.06544	0.6
87.04507	1.7
89.02471	0.7
89.83961	0.5
93.03472	0.7
95.05005	0.8
96.04562	1.0
96.99318	7.4
97.02950	0.5
98.03740	4.4
99.76746	0.5
99.89870	0.4
101.02454	0.7
101.45418	0.5
107.05020	0.8
111.04518	0.6
115.03964	1.0
117.33878	0.5
119.05026	59.6
125.04857	0.6
126.05603	0.6
128.07167	0.5
136.07677	0.7
139.07632	0.6
148.00398	3.3
162.05585	0.6
163.02760	4.5
163.03996	48.0
175.11310	0.7
178.05096	5.8
179.05492	0.7
191.02112	0.6
208.13463	2.0
218.19061	0.8
220.13437	0.6
234.03987	0.7
234.18420	0.6
236.05675	1.1
236.12881	0.9
244.17148	3.4
262.18109	14.2
263.18384	1.0
264.05151	5.7
278.17462	1.5
280.19168	2.3
288.16052	1.5
304.15396	0.8
306.13528	1.1
306.17093	23.6
307.17444	1.5
309.04874	0.7
322.16531	1.0
324.07361	13.9
324.18140	100.0
325.08893	0.7
325.18433	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	324.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93411	8.7
71.41090	9.4
72.92580	10.6
74.83739	8.6
84.08592	9.4
126.71421	9.3
166.97731	10.2
183.01175	38.7
184.01984	15.2
267.00623	10.1
325.18286	100.0
345.63727	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	325.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35921	1.1
53.06818	0.9
55.01889	1.1
57.03434	2.9
59.01372	4.2
71.36224	1.1
71.42783	1.4
94.56342	1.0
101.49329	1.1
105.03457	1.4
109.02943	1.5
117.07115	2.0
119.05029	16.4
120.99656	41.3
121.02954	1.9
131.04993	1.2
133.02945	17.7
133.06595	23.4
134.06850	1.2
137.02451	1.7
141.25403	1.1
142.66061	1.1
147.02704	1.2
149.00720	7.1
149.04295	100.0
150.04628	3.1
159.04509	18.5
161.06007	1.4
162.05591	2.2
163.03984	6.6
163.05937	3.2
175.02193	2.8
177.05574	2.0
193.03276	60.1
194.03601	3.0
203.03555	2.6
221.04552	35.7
222.04953	1.3
237.02266	31.1
238.02510	1.7
281.04810	2.6
289.07089	4.8
325.03802	13.3
325.09485	1.5
326.19803	4.3
337.35275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0718
Annotation	Ophiopogonone A
Peak:m/z	Relative Intensity
59.01371	3.2
67.01874	5.8
69.64732	1.6
71.41537	1.7
71.47869	1.5
82.70596	1.5
85.86314	1.9
87.00875	15.2
93.03459	2.8
108.02176	5.0
109.02966	20.9
121.02938	9.4
131.05008	5.4
133.02957	1.9
135.08176	2.1
136.01659	15.9
137.02449	80.6
137.03506	4.0
138.02800	3.4
145.06593	2.3
146.03697	2.1
147.04521	6.0
149.02406	5.2
158.03804	1.9
159.04526	8.7
159.55748	1.5
161.02379	4.9
161.06100	3.9
161.72157	1.7
163.04005	2.2
171.10310	2.5
173.02432	3.3
174.03210	6.6
175.03999	27.7
185.02434	4.0
187.03986	19.6
188.04742	6.0
189.05565	18.2
193.06551	1.6
195.04474	1.9
195.08218	2.3
202.02583	2.5
203.03503	16.7
210.06880	1.8
211.03996	1.8
211.07700	2.4
215.03435	3.9
221.05997	5.6
223.07611	3.1
224.04846	3.7
225.05655	2.6
236.04956	1.7
237.05550	12.3
238.06357	5.6
239.07042	7.9
248.04900	2.8
249.05635	8.4
250.06317	2.9
251.03520	3.9
251.07260	3.0
265.05032	6.6
266.05835	2.5
267.06628	43.6
268.07043	2.2
277.05026	3.8
279.06628	4.9
281.08267	4.2
289.18213	10.0
295.06110	100.0
296.06696	7.8
297.07724	4.1
307.19125	2.8
309.07712	3.3
310.04898	2.5
310.08490	55.7
311.08890	5.7
325.07095	53.9
325.10773	92.7
325.20157	4.9
326.07648	3.2
326.11115	6.7
326.17517	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	325.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92025	1.2
51.11029	1.1
58.99600	15.5
59.01375	3.1
66.23399	1.2
70.48952	2.4
71.42202	1.2
71.86716	1.2
74.99112	2.2
91.06721	1.2
102.98598	100.0
108.02167	2.1
120.99660	12.0
123.04462	1.4
135.04539	1.3
135.59840	1.2
145.02948	4.2
146.03743	4.9
147.01146	1.3
147.04544	10.8
163.00691	4.4
179.01733	18.2
180.02501	11.2
195.04837	41.1
196.05096	1.5
224.70055	1.3
295.05884	1.6
317.46201	1.1
347.46466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
69.36375	1.7
77.32337	0.3
80.33206	0.4
80.50124	0.3
102.98602	1.7
108.02161	2.9
112.34293	0.4
120.99638	0.6
121.02946	0.9
121.06530	0.8
123.04519	0.7
135.04494	1.0
136.44232	0.4
136.77528	0.4
141.89056	0.4
145.02957	4.4
146.03754	8.6
147.04529	8.8
148.04866	0.4
152.29619	0.3
153.00162	1.8
161.06038	0.6
179.01715	23.9
180.02495	21.2
181.02847	1.2
195.04836	100.0
196.05200	4.4
265.05402	1.1
283.06403	3.4
325.07513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.77612	0.3
57.74095	0.3
64.65759	0.3
69.61919	0.4
69.62248	1.2
78.16480	0.4
93.03449	0.4
96.17699	0.3
119.05026	100.0
120.05357	3.5
148.08337	0.4
163.04007	78.7
164.04349	3.3
232.04315	0.3
252.48871	0.4
325.09192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1081
Annotation	Moracin O
Peak:m/z	Relative Intensity
59.01382	0.5
67.01903	0.7
69.23264	1.0
69.23625	2.4
70.71987	0.5
73.11234	0.5
87.00920	1.2
89.92284	0.4
93.03502	1.0
96.15199	0.5
108.02204	1.2
109.02965	3.6
109.42258	0.5
121.03001	1.9
131.05043	1.1
135.04524	0.5
136.01698	1.6
137.02455	10.2
141.10020	0.4
145.03018	0.9
146.03723	0.5
147.04552	1.0
149.02458	0.9
159.04544	1.4
161.02393	0.8
165.56807	0.5
167.08685	0.8
173.02531	1.6
174.03265	1.2
175.04022	3.2
176.04828	0.8
183.04582	0.7
183.08257	0.6
187.03967	2.3
188.04834	1.5
189.05582	2.1
193.06563	1.5
195.04523	3.3
195.08182	2.8
196.05307	2.2
197.06068	1.4
203.03546	1.7
205.06537	0.7
209.06061	1.5
211.04135	1.3
211.07706	3.2
212.04840	0.9
219.04482	0.6
220.05363	0.9
221.06056	5.0
222.06749	1.5
223.04024	1.9
223.07562	3.5
224.04738	2.6
225.05569	1.6
235.04114	0.6
236.04877	0.5
237.05563	11.4
238.06328	4.8
239.07149	8.5
241.13385	0.5
248.04814	2.3
249.05559	7.8
250.06372	2.5
251.03445	3.3
251.07085	2.0
252.04353	1.1
253.04886	0.8
265.05023	3.5
266.05832	3.5
267.06619	34.4
268.06958	2.5
277.05099	3.4
278.05786	1.5
279.06601	2.6
279.65686	0.5
280.06982	0.6
281.08170	2.4
289.18240	1.1
294.05505	1.1
294.08997	1.6
295.06119	92.0
296.06488	6.4
297.07797	0.8
309.07703	3.7
310.08478	58.1
311.08728	3.4
325.07275	7.4
325.10794	100.0
326.07971	0.5
326.11148	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71379	0.5
57.03439	0.5
59.01377	100.0
60.01704	0.6
61.72194	0.5
69.03453	0.7
69.33858	1.5
71.01381	4.9
73.02951	1.7
74.86800	0.6
75.54961	0.5
83.01383	1.1
85.02968	2.0
89.02461	1.6
95.01394	0.7
96.96015	0.6
97.02946	1.4
98.21940	0.9
101.02422	3.2
113.02451	3.3
119.05000	3.5
134.15234	0.5
135.04515	0.7
138.05652	1.4
159.11836	0.6
161.04590	1.3
163.03943	3.5
177.12881	0.8
193.12364	0.6
203.10928	1.6
221.11844	2.1
237.11565	0.8
265.10681	0.6
283.11981	1.1
325.12936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1421
Annotation	1-decanoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01376	0.8
66.62826	0.4
68.76702	0.4
69.29465	1.9
71.28529	0.5
76.41273	0.4
78.95904	69.4
90.99796	0.4
96.96019	0.5
96.96969	5.4
97.06567	0.8
101.06096	1.7
115.07651	1.5
125.09740	1.4
125.58377	0.4
141.09227	1.5
150.98012	1.8
151.11282	1.3
152.99585	100.0
153.99925	1.4
154.61061	0.5
163.02118	0.5
171.00674	2.6
171.13905	5.9
184.89287	0.4
195.13873	0.6
197.11885	0.8
201.11386	1.0
209.12001	0.4
223.13380	2.0
224.13536	0.5
227.12845	1.8
229.14345	0.5
233.54457	0.4
281.17764	0.7
289.18021	1.8
307.19144	3.2
325.14230	14.6
325.19971	2.6
326.14679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71012	17.4
59.01385	100.0
64.60674	15.8
69.08711	93.8
72.34617	14.0
73.05989	15.5
82.00320	20.8
85.46839	16.2
94.05446	14.5
98.21886	41.2
101.69303	19.8
129.54715	16.3
132.95583	18.5
136.37625	15.5
149.02412	15.4
173.39758	15.3
221.11761	17.3
289.18002	17.5
320.12781	20.6
325.20175	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	325.1445
Annotation	Broussinol
Peak:m/z	Relative Intensity
53.46885	0.2
59.01374	0.2
67.22298	0.2
70.15913	0.5
70.16241	0.2
71.31397	0.2
94.41367	0.2
99.36225	0.2
106.04249	3.6
107.05010	0.4
109.02908	0.4
111.00927	0.2
121.02959	2.7
125.09758	0.3
137.09760	0.3
149.02397	0.4
150.03230	0.5
151.03947	0.4
160.08913	0.8
161.09717	43.0
162.10069	1.7
163.07701	0.4
205.08685	100.0
206.09026	5.1
207.10353	0.3
207.96805	0.3
225.11346	0.5
307.19266	0.4
325.14426	16.9
326.14847	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	325.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01723	0.9
61.98827	1.4
69.87247	1.5
71.01369	3.2
73.02946	1.3
78.46549	0.4
85.02962	1.7
89.02457	1.4
91.57788	0.4
101.02455	4.0
107.03650	0.8
113.02476	1.6
118.57487	0.6
119.03545	0.7
134.04724	40.0
136.01772	0.5
161.04582	3.8
164.07190	1.1
265.12857	9.4
265.15405	0.6
266.08923	1.6
326.05466	0.8
349.45663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01380	100.0
60.01725	0.5
62.32521	0.5
69.30276	2.7
71.01383	3.4
73.02956	1.6
77.25772	0.5
83.01406	0.9
83.14044	0.5
85.02970	1.9
89.02450	1.0
95.01426	0.6
101.02450	3.7
113.02457	1.7
119.05005	4.3
131.84776	0.6
134.04749	7.8
159.03027	0.7
161.04564	5.2
163.03979	3.5
163.06131	0.7
164.07133	0.8
265.12927	11.7
265.15433	0.9
266.13168	0.7
266.98795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.4
59.01380	8.6
61.98829	1.1
66.03471	1.6
69.40403	2.2
69.40791	2.5
71.01367	1.4
73.02934	9.4
82.06622	2.0
83.05031	2.1
84.08183	2.5
85.02927	1.4
86.06099	1.6
97.06574	0.9
112.04042	60.4
113.02409	2.5
116.07166	24.8
121.03020	1.0
124.06400	1.4
124.11314	2.5
130.04120	1.0
130.05103	22.7
130.08739	100.0
131.09044	1.3
140.05124	1.0
152.10811	1.2
156.06595	1.1
162.05571	1.2
163.03995	1.6
163.05945	1.9
168.10313	2.0
195.15048	2.1
211.10802	1.4
211.14603	1.3
237.19774	6.4
263.17725	3.9
277.26831	1.0
281.18683	40.2
282.19144	3.1
289.07242	2.1
325.17670	53.6
326.17831	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
57.04943	0.7
59.01352	2.7
69.10456	2.8
69.10867	1.3
71.01356	2.5
71.04988	0.9
73.02909	0.6
80.02661	2.5
81.03428	2.5
83.05021	6.8
84.02146	2.6
91.83200	0.5
93.09662	0.5
95.04995	2.0
97.02947	0.6
97.06567	1.7
99.08128	2.3
109.06574	1.8
111.08154	0.7
111.65300	0.7
115.07610	1.8
125.09732	1.7
127.07655	10.3
135.08084	0.7
139.07625	2.6
141.12874	0.6
152.83128	0.6
153.05600	0.8
155.10760	1.4
163.11281	5.8
165.12840	2.6
171.10251	0.6
178.09991	1.9
181.12344	1.7
185.11815	9.5
191.10741	1.3
197.11818	12.3
207.10309	1.0
209.11819	100.0
210.12129	6.2
225.11230	0.8
227.12868	5.5
238.12062	4.0
240.32912	0.6
245.18961	1.0
256.13165	2.8
263.20233	0.7
265.17984	0.9
281.21439	0.7
289.18057	4.6
307.19141	56.9
308.19485	5.2
325.20200	23.4
326.20639	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.3
59.01378	2.1
61.98806	1.4
69.03452	1.6
70.94914	2.1
71.01382	5.3
71.05016	3.4
71.62979	1.2
73.35497	1.2
80.02681	1.9
81.03445	2.1
83.05019	4.7
84.02168	5.4
85.02952	1.7
95.05016	3.4
96.92713	1.3
97.02964	1.7
97.06579	5.9
99.04498	2.0
99.08157	4.2
109.06603	5.0
111.08109	1.7
115.07626	4.2
123.08199	2.5
125.09711	7.2
127.07632	16.3
135.08194	3.5
137.09697	1.8
139.05615	1.3
139.07635	3.8
151.11212	1.5
153.09215	13.6
155.10805	3.7
163.11305	3.3
165.12820	2.4
171.10274	17.7
178.10002	4.7
182.32393	1.5
185.11803	19.5
197.11824	17.6
201.11278	2.7
207.10254	1.9
209.11806	66.8
210.12178	4.5
211.13434	2.8
227.12930	2.8
235.13467	1.6
237.14955	12.3
238.12025	7.4
245.18974	3.5
250.33386	1.5
256.13184	3.8
289.18045	22.1
307.19125	100.0
308.19470	7.6
325.20184	56.1
326.20483	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.97973	1.0
59.01361	2.3
60.66880	1.1
61.98823	1.1
68.75582	1.0
70.43658	2.2
80.02719	1.6
81.55183	1.1
83.05015	5.3
83.25268	1.0
84.02167	1.9
95.05013	1.4
104.81300	1.2
106.64818	1.3
115.07658	6.4
125.09681	1.4
127.07631	1.9
129.09203	1.3
135.08174	1.5
137.09715	2.0
155.10730	7.0
163.11285	5.0
165.12814	3.3
167.20694	1.1
178.09969	5.2
181.12341	1.9
191.10750	2.4
197.11859	1.7
207.10294	2.6
209.11823	84.0
210.12161	3.8
236.10594	2.2
289.18201	2.2
307.19150	100.0
308.19519	7.6
325.20172	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91081	1.6
57.03452	12.7
58.00583	2.2
59.01376	5.0
69.03459	3.0
71.01352	3.6
71.05022	7.4
80.02696	2.8
83.05019	5.2
85.02985	1.6
87.04510	2.4
93.03465	2.7
95.05038	2.7
97.02953	2.7
97.06578	5.9
98.21902	4.2
109.06570	22.7
111.04530	2.6
111.08130	10.1
123.08112	2.3
125.06091	2.4
125.09711	11.6
127.07674	2.6
127.11304	4.9
133.91335	1.5
137.09708	5.2
141.09209	2.3
146.98930	1.4
151.11272	2.3
153.09225	4.6
155.10687	2.1
165.09264	1.6
167.10768	6.9
169.12323	3.3
171.10249	7.8
179.10777	1.9
181.12370	3.7
183.10156	2.0
183.13924	1.8
191.14346	1.5
193.12242	2.0
195.10187	2.3
195.13905	3.4
197.11819	32.6
198.12183	1.9
201.11304	39.7
202.11653	2.3
211.13383	28.4
213.11308	25.9
214.11690	1.8
219.13916	2.8
227.12941	2.9
235.13379	3.5
237.14948	49.5
238.15460	2.5
245.18925	3.1
249.15004	1.9
289.14914	2.9
289.18085	47.8
290.18375	3.0
307.19147	26.3
308.19302	2.2
325.20187	100.0
326.20541	10.1
329.32581	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	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
52.28513	0.5
57.03440	0.7
66.30922	0.7
69.68252	0.8
69.68603	1.8
72.99292	1.4
83.05025	0.7
95.05043	0.7
97.06580	1.4
98.22568	1.1
99.08168	0.6
109.58067	0.8
113.09725	1.2
114.15581	0.6
115.07611	1.4
123.08170	1.3
125.06089	0.9
125.09741	1.7
126.06879	1.4
127.07581	0.7
137.09727	1.4
137.37173	0.5
141.09247	4.0
151.11282	2.4
152.08458	1.0
153.12808	1.5
165.12804	0.7
181.12297	1.1
197.11855	1.3
199.13356	2.6
209.11746	0.9
210.12688	0.9
227.12877	2.4
229.14400	1.1
237.08818	0.6
247.53668	0.6
251.20145	1.9
256.13135	1.7
261.18619	3.9
264.23105	0.7
274.92413	0.6
279.19644	11.2
307.19073	4.4
325.20181	100.0
326.20538	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	2,3-Dinor-11b-PGF2a
Peak:m/z	Relative Intensity
52.42994	0.4
55.18358	0.4
57.03434	0.7
58.00582	0.8
59.01367	0.4
69.03465	0.6
69.74527	1.3
70.02729	0.3
70.12708	0.4
71.01373	0.5
72.02117	0.3
72.99308	1.6
73.02950	3.3
83.05032	1.5
87.00870	0.5
87.04495	0.5
94.87373	0.3
95.05049	0.6
97.02947	0.7
97.06577	1.3
98.22618	0.5
109.06565	0.9
111.08155	3.0
113.09738	1.7
121.10268	0.5
123.08166	2.0
125.09702	2.4
129.96918	0.4
137.09723	1.9
139.07680	0.5
139.11292	3.8
141.09218	1.7
151.11290	0.7
153.09198	3.0
154.32109	0.4
155.10774	1.2
157.08701	0.4
167.10783	0.9
169.12357	2.4
170.09488	1.5
171.10347	0.4
171.12498	0.3
181.12367	1.0
183.10394	0.4
183.13873	1.1
187.09795	0.5
196.11078	0.4
201.11314	0.6
214.77086	0.4
215.09291	1.5
216.10022	1.4
243.17616	0.8
251.20235	0.9
261.18597	3.5
279.19635	1.1
301.96024	0.4
307.19150	1.6
325.20193	100.0
326.20547	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.71569	1.0
57.03432	2.8
59.01355	1.1
59.67072	1.0
71.01357	1.1
71.03498	1.4
71.05017	1.1
72.50475	1.1
80.02678	5.0
83.05016	3.8
84.02176	4.8
97.06590	4.3
97.98463	0.8
101.08791	0.9
115.07648	3.6
119.08644	0.9
121.02905	1.2
123.08133	2.7
125.09729	37.3
126.10089	1.5
137.08725	1.8
137.09726	21.5
138.10170	1.0
153.09126	1.8
155.10791	8.7
163.11256	2.8
165.12837	1.7
171.10274	2.1
178.09988	2.7
187.09807	1.4
199.09669	1.1
207.10245	1.5
209.09880	2.1
209.11823	38.5
210.12195	2.4
227.12897	1.4
250.12108	1.1
279.19601	2.2
281.21082	1.7
285.52133	1.1
289.18152	5.1
307.19144	100.0
308.19498	9.6
325.20203	14.7
326.20523	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
69.25823	3.0
73.61656	0.5
98.21916	1.0
114.93330	0.5
149.09712	84.5
150.10056	4.1
163.11279	89.4
164.11597	3.9
183.01202	5.9
184.01950	0.7
237.37950	0.6
311.40164	0.6
325.18375	10.0
325.21701	100.0
326.18643	1.1
326.22021	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25501	1.6
52.95104	1.1
59.01368	2.7
61.98828	2.4
69.70651	2.6
69.70988	2.1
70.54376	1.3
71.05035	2.1
73.48731	1.5
79.64587	1.3
85.00459	1.3
92.92781	2.9
116.92905	1.2
121.02956	1.9
125.09739	3.2
127.11324	1.5
139.11281	4.4
153.09229	2.4
160.84221	3.6
163.11259	1.7
167.10654	1.3
177.12833	7.0
181.91824	1.4
195.13873	25.8
197.11813	2.2
211.13341	2.9
226.44133	1.3
249.22308	2.1
265.14786	1.3
275.20142	1.9
293.21198	26.0
294.21649	1.8
307.22815	4.3
310.21506	4.9
325.18051	3.0
325.23807	100.0
325.86124	3.9
326.24222	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68195	0.6
53.67927	0.6
56.33825	0.7
58.49812	0.6
59.01377	0.8
61.98830	1.3
65.59370	0.8
69.17461	2.5
69.17869	1.3
81.40271	0.7
92.92796	1.5
139.11263	0.8
141.94289	0.6
160.84218	2.7
180.89706	0.6
184.00676	0.8
195.13910	1.0
197.02774	1.6
205.98450	0.6
209.12984	0.7
224.71069	0.7
234.42403	0.7
243.80225	0.7
246.90247	0.8
249.22238	0.9
249.53470	0.6
265.14374	1.5
265.21854	1.5
273.85980	0.6
293.21228	11.7
310.21301	4.2
325.18451	4.2
325.23822	100.0
325.27155	4.6
325.85974	1.2
326.24188	8.4
333.71237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77641	0.8
59.01381	1.3
67.98207	0.8
70.35109	2.0
73.97522	1.0
91.36217	0.9
104.32349	0.9
134.33186	0.9
139.11293	1.4
160.84222	1.2
165.12691	1.0
184.71202	0.9
197.02838	1.2
241.98871	0.9
244.80426	0.9
246.83597	0.9
249.21956	1.4
259.49503	0.9
265.14474	3.4
265.21786	1.1
293.21219	9.6
294.21484	1.2
301.65366	1.0
307.22897	1.2
310.21353	4.7
325.18066	2.9
325.23804	100.0
326.24207	9.0
348.69626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47964	1.1
59.01387	1.3
59.12425	1.1
59.93541	1.2
61.98826	1.2
64.67290	1.2
69.53858	3.3
74.42231	1.0
76.53056	1.0
84.91833	1.1
102.07732	1.1
111.15666	1.2
119.94733	1.5
172.44806	1.5
183.01176	11.1
251.23788	25.8
252.23978	1.6
270.05295	1.3
279.23355	1.9
297.24332	100.0
298.24747	8.1
325.18381	30.9
325.27637	1.4
326.18768	1.4
341.00146	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	326.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54181	0.6
59.01358	3.4
69.64317	2.0
96.96008	30.8
108.06754	0.6
136.94028	1.7
138.93678	0.6
140.02032	3.4
141.87404	0.7
153.95294	0.6
159.34512	0.6
178.95103	1.5
180.94778	0.8
184.01009	100.0
185.01161	7.1
235.45296	0.6
247.87202	2.5
255.86011	2.8
288.83063	0.7
326.02121	2.8
327.09207	0.9
330.84219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	21.2
59.01383	93.8
69.37379	96.0
82.80686	21.1
83.41566	18.5
93.03447	41.0
102.19296	18.3
102.32034	16.8
113.02435	24.0
119.05037	41.9
147.04520	45.2
149.71156	17.6
151.00156	18.1
154.85378	18.9
163.03969	24.6
165.05614	100.0
167.05386	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	96.3
58.03781	1.4
59.01376	4.6
71.01392	1.2
71.04999	0.9
73.02945	3.1
74.17885	0.6
85.02946	6.4
87.00883	4.3
97.06609	0.9
99.00914	0.6
101.02435	1.4
109.02932	0.7
113.02466	0.8
116.41467	0.7
125.78332	0.6
129.01996	0.9
133.10223	0.7
135.08098	0.7
141.01949	1.1
147.04503	0.6
149.02411	0.9
151.11293	4.6
160.20700	0.7
164.10826	1.4
165.05573	0.9
179.07120	1.0
195.10220	4.4
204.13969	1.0
239.09178	1.1
244.17157	0.9
262.18130	1.8
268.15442	1.2
283.08264	0.7
297.71185	0.7
308.18784	0.8
326.19711	100.0
327.07312	1.1
327.20068	7.6
328.70612	0.6
332.70789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	96.3
58.03781	1.4
59.01376	4.6
71.01392	1.2
71.04999	0.9
73.02945	3.1
74.17885	0.6
85.02946	6.4
87.00883	4.3
97.06609	0.9
99.00914	0.6
101.02435	1.4
109.02932	0.7
113.02466	0.8
116.41467	0.7
125.78332	0.6
129.01996	0.9
133.10223	0.7
135.08098	0.7
141.01949	1.1
147.04503	0.6
149.02411	0.9
151.11293	4.6
160.20700	0.7
164.10826	1.4
165.05573	0.9
179.07120	1.0
195.10220	4.4
204.13969	1.0
239.09178	1.1
244.17157	0.9
262.18130	1.8
268.15442	1.2
283.08264	0.7
297.71185	0.7
308.18784	0.8
326.19711	100.0
327.07312	1.1
327.20068	7.6
328.70612	0.6
332.70789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
59.01373	4.4
68.99819	0.8
69.03464	1.3
69.57786	1.5
69.58133	1.1
71.01382	1.4
71.05010	5.6
73.02946	9.2
82.94009	0.5
83.05025	4.1
85.02935	1.3
91.05493	0.5
93.03417	0.7
95.05009	2.7
97.02949	1.6
97.06596	4.2
99.00906	1.4
103.05549	0.9
105.80816	0.6
108.02165	1.0
109.02965	5.6
109.06567	1.5
111.00863	1.7
111.04514	0.9
113.02458	1.0
119.05022	15.2
120.05327	1.3
121.02914	3.5
121.06591	9.6
123.04502	2.2
123.08144	0.8
125.02375	0.7
129.03456	2.6
130.04298	0.8
133.10231	4.1
135.04582	1.1
135.08148	3.0
141.01920	5.7
141.05557	2.1
146.03732	0.7
147.04510	11.8
151.07631	2.3
151.11279	43.1
152.11624	2.0
153.09215	1.1
156.14751	0.5
161.06047	1.3
163.03973	0.9
164.04353	0.6
165.05563	100.0
166.05916	4.7
167.03525	2.2
177.09207	0.7
179.07120	8.4
185.04579	1.3
195.10255	38.2
196.10629	2.0
223.06087	2.3
229.31792	0.5
239.09241	7.1
240.09641	0.7
283.08209	4.0
283.11093	0.7
327.07166	6.3
327.10843	10.3
327.14426	0.9
328.11118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.0
67.05526	1.8
69.03444	2.4
71.01369	13.4
71.05014	13.2
71.42231	2.6
73.02943	54.6
83.01392	5.1
83.05029	7.4
85.02944	4.2
89.02457	4.6
95.05035	8.2
96.82625	2.0
97.02970	3.6
97.06599	10.8
99.00876	4.4
101.02432	18.6
109.02934	5.8
109.06561	2.7
111.00887	6.7
111.04513	2.5
113.02489	4.4
115.04011	3.7
117.20302	1.9
119.03563	2.7
121.02938	3.6
123.04499	3.8
126.01942	2.2
130.08774	4.5
131.03554	2.2
133.06656	2.1
133.10242	8.9
135.04518	2.3
135.08162	7.8
141.01921	12.1
141.05560	4.7
143.03477	2.6
149.09766	2.2
151.11273	100.0
152.11594	3.1
153.09279	2.2
161.04507	5.4
161.05959	3.6
165.05576	4.7
167.03479	4.9
173.11041	1.8
179.07129	18.7
185.04474	3.4
195.10254	93.3
196.10507	4.4
223.06172	5.5
239.09221	18.9
261.86096	2.1
283.08182	9.5
286.81790	2.1
295.20908	2.1
327.07300	17.8
327.10767	2.9
327.21082	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	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.0
67.05526	1.8
69.03444	2.4
71.01369	13.4
71.05014	13.2
71.42231	2.6
73.02943	54.6
83.01392	5.1
83.05029	7.4
85.02944	4.2
89.02457	4.6
95.05035	8.2
96.82625	2.0
97.02970	3.6
97.06599	10.8
99.00876	4.4
101.02432	18.6
109.02934	5.8
109.06561	2.7
111.00887	6.7
111.04513	2.5
113.02489	4.4
115.04011	3.7
117.20302	1.9
119.03563	2.7
121.02938	3.6
123.04499	3.8
126.01942	2.2
130.08774	4.5
131.03554	2.2
133.06656	2.1
133.10242	8.9
135.04518	2.3
135.08162	7.8
141.01921	12.1
141.05560	4.7
143.03477	2.6
149.09766	2.2
151.11273	100.0
152.11594	3.1
153.09279	2.2
161.04507	5.4
161.05959	3.6
165.05576	4.7
167.03479	4.9
173.11041	1.8
179.07129	18.7
185.04474	3.4
195.10254	93.3
196.10507	4.4
223.06172	5.5
239.09221	18.9
261.86096	2.1
283.08182	9.5
286.81790	2.1
295.20908	2.1
327.07300	17.8
327.10767	2.9
327.21082	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	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
57.03431	3.5
59.01369	6.2
59.91243	1.0
69.03452	1.6
71.01354	1.1
71.05007	8.6
71.40836	1.3
73.02946	14.6
83.05035	5.6
85.02937	3.3
85.06595	3.6
87.00871	1.4
95.05027	4.7
96.96040	1.4
97.01159	2.3
97.02937	1.3
97.06579	7.4
99.00867	7.3
101.02455	1.1
106.04239	6.5
107.05008	1.1
109.02934	5.0
109.06569	1.8
110.06091	2.2
111.00846	1.7
111.04512	5.4
113.02496	1.1
113.06083	2.3
114.09250	1.2
115.03967	1.4
119.05010	3.1
121.02941	3.9
121.06592	81.1
122.06935	3.4
127.07639	1.9
129.01918	2.9
129.05550	2.7
130.08708	1.3
131.07124	2.1
133.10219	5.2
135.08167	6.3
141.01930	7.8
141.05568	3.4
147.04541	10.1
149.02393	2.9
150.03175	2.4
151.07697	2.1
151.11278	62.3
152.11623	2.2
154.08690	2.7
155.01688	3.8
156.10316	1.8
161.06108	1.9
163.00427	1.6
164.04715	3.0
165.05557	100.0
166.05928	3.2
167.03529	2.8
167.05336	5.7
171.06609	2.6
174.11314	11.2
179.07132	11.3
185.04527	1.4
195.10254	46.4
196.10617	3.0
197.04547	1.8
211.04332	1.9
214.10764	1.5
223.06122	3.8
239.09256	9.1
283.08240	5.5
327.07101	9.9
327.10828	9.4
328.17548	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88332	0.4
59.01360	0.8
69.06705	3.7
69.53935	0.5
71.01371	0.6
72.04517	2.2
82.77740	0.5
84.04510	1.5
91.71691	0.5
96.80795	0.5
96.96026	0.5
98.22611	1.0
110.06110	0.9
129.05811	1.9
142.06584	1.1
150.01872	0.6
154.06589	1.3
155.07419	3.5
156.08174	9.4
157.08513	0.9
164.08270	0.7
166.06621	6.3
167.06100	1.0
167.07411	0.5
170.09746	34.6
171.10092	1.6
181.05278	0.9
182.08502	6.2
183.09276	20.7
184.09563	0.9
196.07649	2.1
196.11307	2.2
197.07193	0.7
212.10806	0.9
214.34703	0.5
221.10745	0.7
237.10382	0.9
239.11897	33.1
240.12212	1.7
249.11206	0.6
269.06949	1.0
283.10873	100.0
284.11264	7.0
327.09836	15.9
327.13736	0.7
327.21841	1.8
328.10172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
59.90198	0.3
68.99810	1.1
70.45281	0.5
71.01389	1.9
73.02941	0.4
76.43715	0.3
85.02929	0.6
89.02448	1.4
91.05546	0.5
93.03459	0.3
101.02435	1.3
103.05568	1.2
108.64862	0.3
109.02946	4.3
109.63319	0.3
113.02419	0.7
117.03423	0.3
119.03594	0.7
119.05025	14.7
120.05392	0.7
121.02953	3.9
123.04521	0.6
125.80846	0.3
127.38475	0.3
129.03491	3.1
130.04240	0.5
135.04526	1.0
137.06145	0.3
139.04002	0.3
145.02933	0.7
146.03766	0.8
147.04521	16.7
148.04842	0.7
161.04549	0.3
163.04004	8.5
164.04507	0.7
165.05565	100.0
165.95454	0.3
166.05936	3.9
173.04614	0.4
187.81044	0.3
230.24297	0.3
283.06708	0.3
283.10992	0.4
291.08755	3.0
327.10770	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	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.70217	0.5
58.83172	0.5
59.01377	27.9
69.31934	0.6
69.32259	2.5
71.01378	7.2
73.02934	1.2
81.50155	0.6
85.02950	1.7
88.49419	0.5
89.02446	7.1
93.03456	5.9
101.02451	4.6
107.05067	0.6
113.02445	3.2
114.05609	0.6
119.03493	2.5
119.04995	4.5
120.05337	1.3
121.02934	1.0
121.05750	0.8
121.06586	6.2
123.04496	0.6
128.03453	0.6
135.04558	0.7
147.04518	48.3
148.04848	2.3
151.11282	1.2
161.04527	1.0
163.04030	2.1
164.04323	0.8
165.05563	100.0
166.05913	4.0
195.10258	0.9
239.09081	0.6
291.08652	0.7
327.10883	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1083
Annotation	Paeonoside
Peak:m/z	Relative Intensity
59.01371	1.0
68.99811	0.9
69.67899	0.9
71.05011	0.8
73.02943	1.2
81.03468	0.3
83.05029	0.8
87.00832	0.3
91.05522	0.7
93.03451	0.3
95.05033	0.5
97.06570	0.6
98.36753	0.3
99.00883	0.3
101.03934	0.3
103.05527	0.9
108.02164	0.4
109.02938	3.4
119.05024	11.6
120.05366	0.6
121.02956	3.5
121.05792	0.5
121.06592	5.0
123.04504	0.5
129.03474	2.9
130.04201	0.3
133.10229	0.4
135.04533	1.2
137.06213	0.4
141.01953	0.7
141.05579	0.4
145.02908	0.3
146.03722	0.7
147.03339	0.7
147.04517	14.4
148.04868	0.7
151.11292	7.4
157.58444	0.3
163.03999	0.8
165.05563	100.0
166.05891	4.3
179.07124	1.3
195.10258	5.9
223.06084	0.7
239.09338	1.2
264.48468	0.3
283.08270	0.8
289.53946	0.3
327.07129	1.1
327.10831	8.9
327.14786	0.6
328.11234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
52.28110	0.4
57.03448	1.3
59.01383	8.2
69.31852	2.3
71.01389	2.6
73.02948	4.2
74.99078	0.9
79.05536	6.5
81.03458	4.5
83.01407	0.8
85.02937	0.6
94.56325	0.5
98.21847	0.8
101.02452	3.6
113.02464	1.2
121.02924	0.8
123.04530	100.0
123.71659	0.5
124.04842	3.0
136.99136	0.8
143.29625	0.5
147.04538	0.7
149.02444	6.3
149.04413	0.7
161.04575	0.9
164.04784	0.9
165.05600	0.8
196.04013	0.4
219.61343	0.5
312.10098	1.1
327.12143	2.1
327.20245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
56.13922	0.4
56.64619	0.6
57.03440	0.8
59.01366	1.1
71.01370	0.5
73.02949	0.9
85.02970	0.9
87.00845	0.5
96.96017	0.5
99.00883	1.1
101.02409	0.7
106.04246	7.2
110.06153	0.6
111.04523	1.6
119.05045	2.0
121.02963	1.7
121.06592	92.4
122.06906	2.8
125.72971	0.4
129.01974	2.2
129.05608	0.5
131.07195	0.7
135.04477	0.4
137.02502	0.5
147.04520	8.9
149.02477	0.5
150.03165	0.4
163.04074	0.8
164.04773	1.3
165.05563	100.0
166.05905	5.0
174.11324	2.6
181.30598	0.4
191.03555	0.7
197.04539	1.1
201.51167	0.5
212.45830	0.5
214.11011	0.7
215.75681	0.6
239.09135	0.5
283.11856	0.6
327.07236	0.9
327.10855	9.1
327.14496	0.4
328.11197	0.6
328.17670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
60.60568	0.3
61.30152	0.3
65.03959	0.4
68.99813	1.5
69.31878	0.8
69.32268	0.7
71.01379	4.1
73.02927	1.3
73.86480	0.4
77.18090	0.3
79.05532	0.5
81.03445	0.6
82.08038	0.3
83.01379	0.6
85.02947	1.3
87.00865	0.7
89.02454	1.2
91.05540	0.7
93.03482	0.5
95.01388	0.7
99.00909	0.5
101.02453	2.4
103.05563	0.9
106.04251	3.8
109.02972	3.9
113.02446	2.0
114.05602	1.6
115.05946	0.7
119.03596	0.4
119.05037	8.5
120.05395	0.5
121.02968	3.0
121.06586	4.1
123.04527	10.3
129.03433	2.5
135.04527	1.1
136.89233	0.3
146.03763	1.0
147.04527	14.0
159.03143	0.3
161.04572	1.2
163.03969	0.5
163.07567	0.4
164.04762	0.6
165.05569	100.0
166.05884	3.6
278.23941	0.3
327.07266	0.7
327.10864	6.7
327.20428	0.5
328.11319	0.4
349.79846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1238
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
52.84111	0.3
57.02429	0.3
58.61748	0.3
93.03454	2.6
109.02961	1.8
117.03468	0.5
119.05077	1.1
121.02955	19.1
122.03336	0.7
123.04520	0.7
131.05019	0.7
133.02982	0.6
135.04544	1.8
143.05069	0.4
145.02998	1.0
145.96193	0.3
146.03754	0.8
147.04530	5.4
148.05289	0.4
149.06119	0.4
158.03758	1.3
159.04521	1.5
161.02428	0.4
161.06198	0.5
162.03217	0.3
163.04002	2.6
165.05658	0.6
171.04576	0.9
173.02478	0.8
174.03279	0.8
175.03999	19.0
176.04491	0.7
177.05537	0.3
179.08733	0.7
180.05760	0.4
181.06598	0.6
185.06126	0.7
187.04037	1.1
188.04868	0.5
189.05565	1.1
190.06343	8.7
191.07086	1.3
192.00613	0.4
195.04509	0.5
195.08167	2.2
196.05305	1.6
197.06119	1.3
198.03108	0.3
201.11253	0.4
203.07169	1.9
205.06586	1.5
207.08188	1.1
208.05379	0.7
209.06059	2.1
210.06821	0.5
211.04036	1.1
211.07619	1.9
212.04782	0.9
213.05588	0.9
220.05223	0.7
221.06035	1.9
222.05113	4.5
222.06833	1.0
223.07623	5.7
224.04860	0.7
224.08165	0.4
225.05574	2.3
225.09227	1.0
226.06232	0.8
227.07115	0.9
232.05408	0.9
233.06061	4.4
234.06746	1.1
235.04036	1.1
235.07680	2.2
236.04802	0.6
237.05582	2.4
238.06317	1.5
239.07137	7.3
240.04344	1.0
240.07779	1.8
241.05054	1.8
241.08630	2.3
248.04785	0.5
249.05548	4.2
250.06311	3.6
251.07098	10.6
252.07695	1.6
253.05063	1.1
253.08702	1.3
254.05771	2.4
255.06412	0.5
256.07477	1.1
260.04883	0.4
261.05515	6.9
262.06290	1.9
263.03702	0.4
263.07098	1.8
264.04263	1.3
264.07797	0.7
265.05035	0.5
265.08676	0.7
266.05750	0.9
267.06625	10.2
267.09348	0.7
268.07309	5.0
269.08173	19.3
270.08578	1.1
277.05078	1.1
277.08612	0.4
278.05948	1.8
278.09515	1.5
279.06622	20.1
279.37372	0.3
280.07159	2.7
281.08109	0.7
282.09009	1.9
283.09750	5.4
293.08203	1.1
294.08975	7.7
295.06177	0.7
295.09534	1.1
296.06967	2.5
297.07678	89.5
298.07993	7.1
298.11252	0.3
309.11313	25.9
310.11633	2.3
311.09247	3.0
312.10004	57.7
313.10373	4.0
327.12350	100.0
328.09528	0.3
328.12680	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03431	1.6
69.03459	0.9
70.97343	1.0
83.05024	0.9
85.02946	4.1
95.05032	1.4
97.02946	0.7
97.06581	3.8
114.60708	0.6
125.09722	1.3
127.11282	2.2
150.68884	0.6
155.10872	0.7
163.11197	0.7
163.32347	0.5
165.12862	1.3
167.14372	1.2
171.10263	7.8
172.10588	0.7
177.12881	1.0
183.13889	4.7
185.11836	1.1
193.12288	1.5
197.11742	0.8
199.13240	0.6
209.11769	2.1
211.13383	24.0
212.13795	0.8
212.82228	0.6
221.11777	3.3
229.14439	12.5
230.14761	1.1
239.12903	2.0
247.20883	0.6
291.19522	2.8
309.20886	1.3
327.21729	100.0
328.22034	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	327.2175
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
56.86255	0.6
57.03450	6.8
58.00586	1.8
59.01368	0.6
71.05037	0.6
71.11109	0.6
73.02943	0.8
85.06583	0.8
87.04512	1.2
97.06593	1.5
98.03714	0.7
113.09724	18.0
123.08137	0.7
125.09719	7.4
127.11299	9.1
135.08141	0.6
137.09737	2.5
139.11243	0.9
141.09204	2.5
144.36609	0.6
151.11305	2.8
153.09174	1.1
155.10738	5.1
165.09238	3.6
167.10777	0.7
169.12334	0.9
171.10245	7.2
183.10278	1.2
185.11932	0.7
195.10237	3.0
199.09750	2.7
201.11327	63.4
202.11659	2.8
213.11327	36.9
214.11729	2.0
247.20598	1.2
263.20114	3.4
291.19681	5.9
309.20703	13.5
310.20966	0.9
327.21756	100.0
328.22113	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.36972	0.7
57.03441	1.8
58.80780	0.8
59.01372	1.3
59.56077	0.8
69.61202	3.1
73.02938	4.0
76.37069	0.8
83.05010	1.0
85.63764	0.9
97.06562	1.4
98.03706	1.1
99.08152	2.0
112.05319	1.6
113.09743	1.4
115.07645	2.0
122.73206	0.8
125.09737	1.0
127.07655	2.8
127.11298	2.0
129.09215	34.4
130.09534	1.2
134.54436	0.9
141.09204	11.6
141.12773	1.4
153.12823	1.1
155.10770	19.9
156.11095	1.0
163.11325	1.3
165.12851	2.2
171.10280	16.7
181.12376	0.9
185.11827	47.0
186.12154	1.3
197.11816	38.0
198.12187	1.6
209.11809	7.4
211.13406	0.9
247.20665	1.6
273.08417	0.8
291.19681	13.2
292.20007	0.9
309.20728	31.5
310.21121	2.5
327.21753	100.0
328.22110	7.5
346.87030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03437	2.1
59.01363	3.5
69.66872	3.4
71.01345	1.5
75.76828	1.5
84.02161	2.0
97.06590	2.9
98.03724	4.5
99.08160	2.2
111.08126	1.5
113.09742	7.5
115.07632	4.3
121.10229	1.5
129.09213	6.8
139.11273	3.3
141.09212	50.3
142.09583	2.6
147.70653	1.2
151.11284	1.2
165.12845	5.8
168.91422	1.5
169.12318	2.0
181.12328	4.2
183.13876	2.0
185.11816	100.0
186.12187	5.9
195.13835	1.5
199.13364	6.5
211.13345	4.2
227.12872	2.8
247.20634	5.2
263.20062	1.8
265.21875	1.7
273.18442	2.4
276.98682	1.5
281.21255	2.3
291.19629	37.0
292.19958	2.4
309.20694	96.3
310.21045	8.6
325.33319	1.6
327.21725	18.7
328.22015	1.6
336.92056	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24273	0.5
56.92759	0.5
58.90032	0.4
67.16585	0.5
70.91677	0.6
71.04994	0.7
90.14342	0.5
97.06580	1.0
99.08183	0.8
103.21324	0.4
113.09716	1.3
115.07656	0.7
125.09685	0.4
127.07639	1.2
128.08437	2.7
129.09183	0.6
134.98499	0.5
139.11264	1.5
141.09030	0.6
143.10764	1.1
143.20923	0.5
153.12854	2.5
154.09996	0.4
171.10287	0.6
181.12302	0.9
197.12067	0.4
199.13367	0.7
201.20467	0.4
202.80856	0.4
212.14149	1.9
216.65718	0.5
253.21727	1.1
263.20102	1.3
281.21210	18.2
282.21484	1.0
309.20569	0.7
311.63864	0.6
327.21735	100.0
328.22061	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.52967	2.3
57.03439	8.5
59.01366	8.6
61.98811	5.5
79.89713	2.3
113.09705	13.4
125.09711	8.6
127.11308	7.3
130.91113	2.4
137.09706	2.7
155.10773	4.2
162.83891	3.2
168.91348	7.9
171.10260	11.7
197.11880	4.0
201.11304	57.3
202.11678	4.1
213.11275	36.3
291.19614	5.5
309.20648	13.9
327.21750	100.0
328.22037	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01372	1.1
63.00147	0.6
70.47068	1.2
72.99294	1.3
73.02946	1.6
73.70675	0.7
107.49162	0.7
109.06586	1.0
111.08159	2.0
123.08158	1.0
139.11266	1.3
141.12856	1.6
144.62177	0.7
145.83511	0.8
157.12314	1.5
169.12350	1.5
170.09496	2.8
171.13902	7.7
183.13899	1.8
185.15462	0.9
211.76677	0.7
216.09956	1.5
235.20853	0.9
263.20081	3.9
281.21310	2.3
294.61029	0.7
305.21768	0.9
327.21759	100.0
328.22198	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	327.2175
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03434	3.7
57.16535	1.2
59.01371	5.0
65.28271	1.3
70.64912	2.2
71.01370	1.5
72.02172	1.5
73.02926	2.6
83.93088	1.2
87.04501	2.1
97.06599	2.9
123.08168	4.1
125.06034	1.5
125.09722	12.5
127.11327	2.8
135.08138	1.5
139.07654	1.4
139.11311	5.5
140.15273	1.3
141.09212	2.8
143.10742	2.3
151.07628	1.5
151.11279	6.1
153.09233	4.3
155.10793	15.1
157.12424	1.3
165.09148	2.4
167.10776	5.4
169.12347	4.3
171.10239	4.7
183.10364	8.7
183.13881	3.6
185.11800	35.8
186.12155	1.9
192.23151	1.4
195.10231	8.5
201.11295	1.9
213.11314	100.0
214.11659	4.7
216.57173	1.3
237.22461	1.7
247.20682	12.7
265.21896	4.5
291.19690	9.5
309.20697	36.2
310.21075	2.9
327.21664	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03440	4.3
59.01373	2.6
61.13211	0.8
70.96863	1.0
78.48004	0.9
81.03413	0.9
87.04508	3.5
97.06635	1.2
111.08160	3.9
168.91441	1.2
169.12340	3.0
171.10338	1.8
181.12415	2.3
192.00671	1.4
195.13873	4.2
197.11838	19.9
198.12132	1.4
199.13399	2.9
201.11296	1.5
211.13460	1.9
221.15504	2.9
239.16501	32.2
240.16911	1.1
291.19772	6.8
309.20703	3.4
327.21747	100.0
328.22098	8.3
332.10077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2538
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
56.88111	1.0
59.01377	1.8
61.98827	1.1
84.80717	1.2
94.72172	1.2
124.49084	1.2
185.00807	1.3
243.26436	1.0
265.25342	60.0
266.25620	5.2
309.24377	19.1
310.24557	1.8
319.07483	1.3
327.25400	100.0
328.25757	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
61.98820	0.5
71.13822	0.4
86.98325	0.3
116.92893	0.3
154.95703	0.3
185.00949	0.3
192.00603	0.4
211.46660	0.3
219.17380	0.3
252.34439	0.2
261.90140	0.3
276.92770	0.3
281.28549	3.9
282.28766	0.3
309.28006	1.1
325.27475	0.6
327.29019	100.0
328.29388	10.0
332.42401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07908	0.8
70.89845	1.0
103.34293	0.7
115.44945	0.8
122.03736	2.2
123.04511	1.7
167.92499	0.8
186.33284	0.7
219.17473	0.9
267.26910	1.4
278.15204	1.0
284.15326	1.2
293.15866	1.8
304.43988	0.7
309.27930	1.3
325.27634	0.9
327.18329	1.6
327.29019	100.0
328.17868	9.1
328.29352	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.37562	1.0
59.01378	100.0
69.09153	1.5
69.09561	5.9
74.61273	1.0
74.76345	1.1
80.05116	1.1
89.93659	1.0
127.53593	1.2
244.57364	1.1
264.61099	1.0
327.29034	77.5
328.29379	9.5
349.67447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76063	0.6
57.41637	0.6
59.01377	3.2
61.98856	0.7
65.88252	0.7
70.97651	0.5
71.01398	1.5
71.05013	0.7
72.85469	0.6
80.05061	0.9
80.39854	0.6
85.02975	1.9
87.04508	8.3
88.94017	0.6
89.02421	0.9
90.97133	21.1
91.51868	0.5
97.65107	0.6
107.03657	1.1
108.02216	1.2
115.04028	3.6
118.96652	2.3
122.03721	1.0
123.04513	1.4
130.08743	2.7
131.00363	0.6
131.03520	2.1
131.64012	0.6
134.04730	36.8
144.98201	8.0
152.01190	1.1
158.99745	8.1
159.02972	4.2
160.92108	0.6
161.01323	22.2
167.03500	2.5
167.99770	1.7
168.98216	2.3
170.01347	5.9
170.99721	5.5
173.01312	0.6
186.99255	9.0
188.81143	0.7
189.00806	9.0
190.01218	0.8
196.98625	1.2
198.99237	0.9
202.04001	1.0
214.98732	71.4
216.01894	3.1
227.02390	1.3
229.03889	4.7
245.30258	0.7
254.06818	0.9
257.03448	1.2
267.01785	0.7
268.11264	1.7
269.01825	0.7
270.06491	4.4
272.08157	23.7
273.08752	0.8
274.09705	10.4
282.06650	0.9
284.08191	2.2
284.99274	1.0
286.06186	0.8
311.00797	2.0
318.08575	0.7
328.07144	100.0
329.01895	12.6
329.07449	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	328.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
63.21140	1.1
71.01398	1.4
71.05017	4.1
78.95895	1.4
85.02943	2.4
87.04506	7.2
89.02443	1.4
90.97146	11.1
105.95836	1.2
107.03648	3.3
115.04012	55.6
117.53288	1.2
126.98942	1.7
130.08757	4.6
131.03534	2.8
133.83871	1.1
134.04732	100.0
135.05121	1.9
144.98193	4.5
148.04361	2.0
159.02985	84.2
161.01321	14.1
167.99759	1.1
170.01366	5.2
170.99776	2.0
186.39517	1.2
186.99191	3.2
189.00854	6.1
191.05630	4.1
192.99617	1.3
196.98557	35.0
214.98756	2.6
216.01970	3.1
224.57542	1.2
240.07298	1.5
270.06674	2.7
272.08157	14.9
274.09766	6.6
281.12289	1.3
284.04724	1.3
328.07181	63.1
329.07330	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	328.2856
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
52.72084	1.4
63.79173	1.4
68.84968	1.5
70.02978	100.0
70.47357	3.9
86.02471	5.4
96.53860	1.6
154.46092	1.7
196.53520	1.6
236.10794	1.5
239.23808	24.0
240.24098	2.0
266.24918	4.3
280.26450	23.1
281.26718	2.0
293.17303	2.0
296.25967	6.7
300.29126	12.1
328.28574	82.3
329.18634	4.9
329.29022	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	329.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79778	0.4
56.67690	0.4
56.96597	0.4
58.32844	0.3
59.01373	1.9
67.01881	0.8
69.66815	0.4
70.24222	0.7
71.01359	1.4
72.87420	0.3
74.66041	0.4
85.02947	1.5
86.76410	0.4
87.00834	0.6
87.04025	0.6
87.04507	6.9
89.02437	0.6
90.97133	3.0
101.02430	0.7
108.02159	1.1
109.74841	0.4
113.02419	1.3
113.03216	0.4
115.03978	1.8
118.96598	0.7
119.03506	0.4
122.03737	7.3
122.06113	0.6
123.04558	2.2
128.63921	0.4
131.03510	3.5
134.04684	0.7
136.18581	0.4
140.98766	0.6
143.00282	0.5
144.98227	0.7
150.05637	2.6
152.01176	1.0
158.99756	12.1
159.02966	2.8
161.01343	4.9
161.04539	0.9
167.03513	3.1
168.98195	5.6
170.01353	0.4
170.99771	6.7
171.01331	0.7
173.01250	0.6
178.43082	0.3
178.58876	0.4
186.99255	11.1
187.00842	0.5
189.00836	1.0
201.00734	0.4
209.01328	0.5
211.02869	1.1
212.67329	0.4
213.00804	0.4
214.98734	100.0
215.99034	3.5
227.02423	1.6
229.03949	6.7
239.02411	0.6
257.03506	2.4
258.97678	0.6
267.01837	0.8
273.08560	0.8
285.02795	1.0
311.00806	2.4
312.10992	1.2
329.01929	16.3
329.07523	3.3
330.02209	0.9
330.08615	0.7
330.12167	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	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	37.3
61.98826	7.2
69.19573	2.0
81.95969	0.6
111.52649	0.6
115.02524	1.9
117.00447	3.6
142.01743	0.7
142.99467	2.4
143.01991	4.9
157.03598	0.9
159.01495	54.0
160.01639	3.8
168.99870	1.6
170.97832	3.6
184.00999	1.8
185.01175	5.3
186.00751	5.7
186.98550	10.8
187.00983	100.0
188.00710	8.5
201.02544	14.2
202.02672	0.7
274.99442	1.2
298.68054	0.6
329.02039	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	329.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17518	0.8
57.36185	0.8
59.01075	1.4
59.01379	27.6
61.98831	1.2
69.66434	2.0
71.01380	12.8
71.34382	0.9
73.02970	1.0
83.01389	0.8
85.02956	1.7
87.00882	0.9
87.04508	3.2
89.02444	19.1
91.48376	0.9
95.01411	1.1
98.21921	2.0
101.02448	7.4
108.02173	52.1
113.02464	6.3
113.12868	0.8
115.04012	1.6
119.03484	7.1
121.02943	2.1
123.04528	27.0
131.03522	4.8
143.03494	1.1
149.02487	1.5
152.01143	35.6
153.01466	1.9
158.99673	1.6
159.03049	1.4
161.01379	1.0
161.04539	1.6
166.02687	2.8
167.03487	100.0
168.03827	3.7
170.99748	1.2
179.05614	15.7
181.60944	0.9
186.99217	3.2
201.99307	0.9
214.96768	1.3
214.98741	16.0
229.03877	1.0
293.08624	2.6
329.01770	2.1
329.08640	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.98831	100.0
66.07734	0.6
69.94962	1.9
71.01366	0.8
85.02941	0.8
89.02475	1.0
101.02457	0.8
108.02204	2.1
123.04511	5.2
129.14267	0.7
134.04749	0.7
150.05630	2.4
152.01192	2.2
159.01442	1.0
167.03479	7.4
171.82115	0.7
187.01010	0.9
191.05672	1.5
312.10968	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	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.7
62.72865	0.8
69.03446	10.0
70.42361	0.8
71.01383	8.2
71.13428	0.9
73.02934	1.9
79.01869	4.6
85.02953	2.3
89.02464	5.2
96.96013	0.9
97.02949	5.0
101.02440	3.9
107.01372	13.8
108.02174	2.7
109.02951	0.9
113.02443	2.8
119.03524	2.4
121.02997	2.1
122.03746	3.3
123.04498	3.2
125.02457	12.0
131.03477	1.2
133.02994	0.9
135.00887	2.0
136.01704	1.5
137.02512	1.3
149.02394	1.5
150.05617	5.8
151.00374	15.4
151.03929	1.2
152.01143	2.5
153.02008	1.0
155.97069	0.8
161.04565	1.5
163.03999	1.9
165.01926	1.3
166.02713	100.0
167.03494	35.5
167.07115	3.8
168.03894	0.9
169.95326	0.8
177.01935	3.9
209.04512	5.3
219.05675	0.8
244.02983	1.2
270.53146	0.9
293.12332	5.2
297.06158	2.0
329.08771	12.2
329.12628	2.0
330.08823	1.7
330.12326	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.4
69.54652	2.3
70.50983	0.4
71.01394	1.1
73.02949	0.6
74.73981	0.4
75.21090	0.4
87.04525	0.7
89.27177	0.5
98.21977	0.9
101.02435	0.9
108.02174	54.2
109.02503	1.5
113.02476	0.7
115.04031	0.8
121.02958	0.5
123.04523	25.5
124.04893	1.2
131.03456	1.3
152.01152	36.6
153.01521	1.4
158.99744	0.6
159.02972	0.8
166.02698	0.9
167.03493	100.0
168.03816	3.3
179.05675	0.5
180.44585	0.5
186.99243	0.4
187.38815	0.5
214.98720	6.7
229.00348	0.7
229.04030	0.8
256.67984	0.5
325.57352	0.5
329.01929	1.3
329.08594	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.03011	0.5
52.77417	0.6
59.01376	1.6
63.59790	0.6
71.01378	1.1
71.10240	0.9
85.02938	0.9
87.04525	1.2
108.02173	60.7
109.02513	2.1
111.54146	0.5
123.04523	29.9
124.04858	1.0
131.03546	0.7
135.06274	0.5
152.01157	44.7
153.01534	1.2
167.03494	100.0
168.03885	3.9
185.48679	0.6
186.99239	0.9
214.98741	6.1
326.44333	0.6
329.01932	0.7
329.08765	1.4
330.05280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.69666	0.3
59.01381	4.9
61.98824	0.8
67.01896	0.8
69.68254	1.4
71.01382	10.2
73.02937	2.9
74.79487	0.4
78.91216	0.3
80.14548	0.4
84.24567	0.4
85.02950	3.5
87.00874	1.0
87.04504	4.6
89.02431	2.0
90.97123	1.8
95.01373	0.8
97.02948	0.7
98.16455	0.5
99.00878	1.3
101.02446	6.7
108.02175	3.3
109.03010	0.4
113.02449	6.2
114.17773	0.4
115.04011	3.7
116.22838	0.4
117.78465	0.4
118.96567	0.6
119.03505	0.4
119.93162	0.4
121.02160	0.4
121.02917	2.3
122.03738	100.0
122.06106	1.5
123.04566	18.2
124.04824	0.6
125.02474	0.7
131.03499	4.0
132.98164	0.6
135.04512	1.3
136.05179	0.4
136.07715	0.5
137.02446	0.6
137.06090	1.9
140.98671	0.5
143.00218	0.4
143.03552	0.8
144.98154	0.5
147.04547	1.8
148.05228	0.5
150.05579	3.8
152.01144	1.5
152.07057	0.4
158.99771	7.4
159.01076	0.7
159.01628	0.7
159.02963	6.9
161.01321	2.8
161.04562	11.6
162.04857	0.4
165.05548	5.8
166.02800	0.4
167.03500	4.6
168.98232	3.7
170.97755	0.5
170.98207	0.4
170.99783	4.6
171.01332	0.7
173.01164	0.6
177.05582	2.1
179.05611	1.6
186.99258	9.5
187.00905	0.5
189.00813	0.7
199.00911	0.5
201.00693	0.5
201.97964	0.5
211.02872	0.5
213.00710	0.5
214.98732	85.1
215.98965	2.9
220.61430	0.4
227.02399	1.0
229.03958	5.1
243.01842	0.6
257.03473	1.7
258.97702	0.7
267.01865	0.9
280.12326	0.4
282.42407	0.4
285.03104	0.7
285.09717	3.0
311.00812	1.8
312.10806	2.2
329.01929	13.3
329.08627	5.3
330.02167	0.7
330.12259	2.1
330.15396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.45604	0.4
59.01366	1.8
69.03456	8.7
70.61517	0.9
71.01378	1.0
79.01892	9.0
81.03455	0.5
84.34250	0.5
89.02452	0.8
97.02966	4.5
107.01386	21.8
108.02248	0.8
121.02953	1.9
122.03722	1.2
123.00910	0.7
123.04512	0.6
125.02441	9.3
133.02988	0.9
134.03690	0.5
135.00885	1.3
135.04474	0.7
136.01642	1.5
137.02432	1.1
149.02420	1.9
150.05612	1.6
151.00365	15.8
152.00850	0.6
153.01956	0.8
163.04031	2.1
165.01939	1.0
165.05699	0.5
166.02708	100.0
167.03485	27.9
168.03883	0.9
177.01923	3.9
181.05128	0.6
191.03522	0.6
209.04506	4.5
221.04440	1.4
261.69110	0.5
293.12555	0.9
297.06213	2.8
329.05222	0.4
329.08777	10.8
329.12479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.70461	0.1
52.47631	0.1
57.03432	0.2
59.01379	2.4
62.03063	0.1
69.03450	0.1
69.22814	0.6
71.01385	1.1
73.02944	0.3
80.02685	0.4
81.03462	0.4
83.01360	0.2
85.02938	0.6
87.00845	0.1
94.34238	0.1
95.01351	0.1
96.20480	0.1
97.02924	0.2
98.22567	0.3
99.00891	0.3
101.02454	0.6
107.01395	0.2
107.05041	0.3
108.02170	53.3
109.02482	1.3
113.02434	0.3
119.05005	0.3
122.03709	0.1
123.04521	22.4
124.04883	0.6
125.52435	0.1
130.08768	0.6
132.04547	0.2
143.11859	0.2
146.06123	0.3
150.03358	0.1
152.01152	37.9
153.01495	1.0
158.06133	0.2
161.04541	0.3
163.03996	0.6
167.03496	100.0
168.03824	3.7
169.09778	0.2
177.01920	0.3
191.05609	0.2
195.99065	0.1
208.02686	0.1
209.04533	0.3
237.78458	0.1
243.33722	0.1
291.08594	0.2
300.19312	0.4
318.18195	0.1
329.08572	0.7
329.16318	0.2
330.20233	0.2
335.10324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
55.02110	0.6
59.01363	1.1
69.03453	100.0
70.03790	1.6
70.66158	0.8
71.01371	1.0
72.99307	2.1
75.46442	0.5
79.01880	3.9
95.01392	1.4
97.02948	19.4
99.00876	24.7
141.01933	7.5
143.10762	6.2
143.27571	0.6
184.23734	0.5
185.00902	42.2
186.01289	1.6
191.08607	0.5
201.11188	0.6
211.13483	0.8
249.89969	0.5
312.59564	0.5
329.12408	7.7
329.23322	5.4
330.12943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.4
69.03459	62.8
70.61822	5.8
71.01376	9.3
79.01894	4.8
83.01363	4.9
95.01418	3.7
97.02947	72.4
99.00867	9.4
111.00875	6.4
116.92773	3.4
141.00829	6.0
141.01944	100.0
143.10777	97.4
144.11121	4.2
185.00916	22.0
203.01945	37.6
223.14886	5.2
228.73392	3.8
272.50726	4.1
329.12561	13.9
329.23267	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98885	1.7
59.01374	100.0
64.51051	2.0
66.12559	1.6
69.34880	5.8
69.35311	3.3
70.14475	1.6
75.69167	1.8
77.09122	1.8
81.80874	1.6
95.04994	3.0
98.22654	3.5
99.08128	7.1
113.02404	1.9
139.04002	32.3
145.08696	18.9
181.12347	43.7
182.12662	2.3
225.11427	8.4
225.14931	45.1
226.15277	3.7
269.13889	7.3
329.15787	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01699	0.7
61.93760	0.6
69.34309	1.2
69.34682	1.1
71.01384	4.2
73.02946	1.6
77.58096	0.6
83.01401	0.7
85.02963	1.8
85.52388	0.6
88.98418	0.7
96.00918	0.9
101.02454	4.3
102.51413	0.6
104.03850	0.6
104.12319	0.5
108.02171	29.8
113.02451	1.8
116.07196	1.9
123.04513	11.7
130.08702	0.7
132.04636	0.7
144.10153	0.6
147.07559	0.7
152.01146	21.6
152.02357	1.2
153.01489	0.8
161.04524	4.2
163.03996	0.8
167.03488	57.3
168.03868	1.4
181.01462	0.7
185.16612	0.7
201.01859	0.6
213.04140	1.2
269.10226	5.6
300.15680	0.9
329.09671	0.7
329.16492	1.0
329.22791	1.4
330.20270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1394
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
58.29970	0.4
59.01369	2.4
62.21513	0.4
69.41013	1.8
71.32416	0.4
84.02379	0.4
93.03474	0.8
105.03480	0.5
108.02187	1.5
109.02967	0.6
115.05528	0.9
119.02724	0.4
119.05072	0.4
121.02949	10.7
122.03748	4.6
123.00890	1.6
123.04517	1.5
124.01683	1.2
130.04245	0.5
131.05017	1.6
135.04526	0.5
136.01669	0.5
136.05324	3.3
137.02472	0.9
137.06065	1.4
143.04993	2.0
145.02934	1.5
145.06493	0.5
146.03737	1.2
147.04512	8.5
149.02435	1.6
149.06082	1.2
150.03217	6.5
151.03835	0.4
153.05605	1.2
158.03726	11.2
159.04509	33.6
160.05292	83.1
161.06078	30.0
162.06332	0.5
163.04021	4.8
164.04778	5.9
165.05272	0.5
173.04579	0.9
173.06061	10.2
174.06859	4.1
175.07629	57.2
176.04750	1.6
176.07988	2.9
177.05568	9.1
178.06346	31.0
179.06703	1.1
183.11365	0.4
191.07159	1.0
192.07906	12.6
193.08652	6.8
194.08983	0.4
207.13922	1.2
225.14955	1.0
251.13000	0.6
269.07040	0.5
269.13904	6.1
270.14267	0.6
284.10391	0.5
299.12860	0.5
314.11511	2.0
329.13913	100.0
330.14304	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	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16977	0.9
59.01377	100.0
60.01680	1.1
69.25395	3.5
69.25798	1.5
77.49132	0.9
86.51359	0.9
130.91579	0.9
135.37257	0.8
145.16380	0.8
163.03877	0.9
169.09825	1.4
209.11810	2.3
225.14954	73.0
226.13312	1.0
226.15233	5.2
269.06915	1.3
269.13950	11.6
329.10184	1.5
329.16183	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	329.1757
Annotation	Carnosol
Peak:m/z	Relative Intensity
59.01363	2.4
69.09383	5.3
92.68218	0.8
93.38676	0.8
121.02915	0.9
145.52336	0.8
188.81036	0.9
236.80779	0.8
245.63382	0.9
257.08105	1.4
258.08969	1.6
271.10037	0.8
285.11176	1.0
293.17557	1.1
297.15121	2.2
299.12869	2.1
313.14368	7.0
314.15234	100.0
315.15613	9.2
329.17578	95.2
330.17871	8.3
337.36115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1758
Annotation	Carnosol
Peak:m/z	Relative Intensity
59.01383	0.6
61.98796	0.5
66.03436	0.4
69.66521	0.7
69.66911	0.7
98.22562	0.8
123.08152	0.9
126.65099	0.4
170.91223	0.6
191.79515	0.3
192.72942	0.4
215.07205	0.6
217.08717	0.9
218.05762	0.4
229.08658	1.8
230.09430	2.3
253.08107	0.5
258.08810	0.7
259.17157	0.9
271.13419	2.2
285.14932	2.4
285.18460	0.8
286.15659	1.2
301.18018	2.8
311.16562	0.9
313.14581	1.2
314.15271	0.8
323.61584	0.4
329.17578	100.0
330.14029	0.6
330.17929	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	329.2331
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03447	1.2
59.01395	0.5
69.03450	1.3
83.05035	0.7
99.08154	6.1
101.68328	0.4
106.46149	0.5
125.09708	1.4
127.11280	3.1
139.11296	3.0
155.14383	1.4
157.12366	0.5
165.12785	0.6
167.10735	0.5
167.14406	1.6
171.08902	0.8
171.10275	8.2
183.13905	7.3
185.11798	0.5
193.12344	2.0
199.13284	0.8
207.71338	0.5
209.11848	1.8
211.13397	36.6
212.13736	1.8
229.14438	18.4
230.14838	1.3
293.21234	1.3
329.23315	100.0
330.23648	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.17723	0.6
58.00585	1.6
59.01382	6.0
69.64149	0.6
69.99798	1.6
85.00945	0.6
99.08166	5.2
104.57516	0.6
113.09637	0.7
127.07654	1.6
129.09235	7.1
146.59613	0.7
169.12376	3.3
181.12254	4.2
183.13847	1.2
193.12338	1.2
197.11777	2.0
199.13400	16.2
200.13695	0.8
211.13408	12.9
229.14488	1.8
293.21335	2.7
311.22314	2.3
329.23309	100.0
329.81027	0.7
330.23694	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.78008	0.5
71.05018	5.8
72.10709	0.5
73.02932	0.8
83.05026	1.7
97.06591	1.3
99.08160	6.1
113.09719	1.9
125.09738	1.5
127.11285	4.8
137.09750	1.0
139.11267	0.9
140.39224	0.5
155.10808	8.7
155.14410	1.2
165.12862	1.0
171.10251	1.6
183.13904	4.0
201.11244	0.7
263.20157	4.1
265.21738	6.2
283.22784	6.7
284.22913	0.6
311.22281	0.8
329.23328	100.0
330.23672	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.98391	0.3
54.51027	0.3
57.03430	0.8
58.00589	0.9
59.01370	1.1
61.98826	0.4
70.82465	0.5
73.02927	0.6
81.67291	0.3
87.20889	0.3
98.12653	0.3
99.08137	0.5
125.09724	4.6
127.11285	7.9
137.09782	0.9
139.11217	1.8
155.10757	2.7
157.12328	0.7
165.09206	2.5
170.91156	0.5
171.10252	8.0
172.10550	0.4
183.10248	1.0
183.13957	0.4
191.05568	0.4
193.44963	0.4
199.09731	2.2
201.11307	43.5
202.11598	1.5
211.13412	1.2
229.14470	0.8
263.20151	0.5
269.07037	0.5
275.20166	0.9
293.21225	3.2
311.22192	2.6
327.22018	0.6
329.23294	100.0
330.23627	8.2
337.09534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.52803	0.3
57.03424	0.5
58.00583	0.9
59.01378	2.7
67.53570	0.3
69.06474	1.1
69.06898	0.9
72.58826	0.3
73.02939	0.7
83.04993	0.3
84.02157	0.5
93.45028	0.2
99.08148	0.6
104.58308	0.3
121.10204	0.5
123.08127	0.4
125.09724	3.5
127.11291	8.2
128.11630	0.3
129.09227	1.0
130.09515	0.3
132.32242	0.3
132.33450	0.2
137.09735	1.3
139.11293	5.9
143.10846	0.5
155.10786	3.4
156.11139	0.3
157.12320	0.6
165.09224	1.1
169.12358	0.4
171.10263	37.9
172.10658	1.3
183.10280	1.2
185.11832	1.4
199.09741	1.1
199.13400	1.0
201.11316	24.4
202.11678	1.2
210.55573	0.3
211.13414	1.1
213.11378	0.8
226.49382	0.3
275.20169	1.6
293.21225	1.8
309.20758	0.4
311.22235	2.2
329.23318	100.0
330.23663	9.5
330.27466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.91041	0.9
57.65531	0.8
58.00588	1.6
59.01377	100.0
63.85104	0.8
71.01377	47.5
72.99304	1.9
73.02925	1.5
79.88424	0.7
83.01388	1.4
85.02948	9.4
87.00877	2.3
89.02440	53.7
94.02937	0.9
95.01371	5.0
101.02437	25.8
104.60141	0.8
108.02177	4.0
109.02439	0.8
113.02444	22.1
114.02718	0.9
116.07189	0.8
119.03490	17.6
121.02930	0.9
122.03728	3.0
125.02428	3.4
131.03526	1.0
132.04530	1.5
138.01974	5.9
143.03499	3.6
146.04448	0.9
147.06618	1.3
149.02376	0.9
149.04694	0.8
151.02756	4.7
152.03517	18.1
153.01576	0.8
153.06783	1.7
161.04541	3.6
166.01440	6.4
167.03500	1.9
168.02994	61.6
169.01410	3.0
169.03398	2.2
179.05576	6.4
180.03050	2.2
192.03011	4.4
197.05705	1.3
202.28049	0.8
210.04071	11.0
214.04330	1.1
222.04097	5.1
240.05069	0.9
270.06186	2.4
272.21262	0.8
330.08286	79.4
331.08563	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	330.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
65.99846	0.3
69.13213	1.0
71.01381	0.3
109.02933	0.8
110.18495	0.2
121.02920	0.2
137.02446	2.8
138.02202	0.4
138.03227	5.7
167.02196	3.0
168.03014	100.0
169.03383	3.0
184.95808	0.2
258.26511	0.2
265.98425	0.2
330.08289	19.0
331.08496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1193
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01384	10.8
61.98825	1.1
69.28143	2.2
69.28527	1.7
71.01385	6.4
71.01715	0.9
73.02946	1.5
76.82926	0.9
83.01394	1.0
85.02950	4.0
86.00121	4.5
87.00876	22.9
89.02427	3.5
98.21775	1.4
99.00904	1.3
101.02444	3.6
107.03822	0.8
108.04559	1.2
109.25575	0.9
111.00903	1.0
113.02423	4.2
121.05335	5.7
122.06124	38.9
123.06432	1.1
129.02000	0.9
134.06137	4.4
135.03316	2.3
136.07684	17.4
146.06158	1.7
148.07663	1.5
149.04773	1.6
150.05606	100.0
151.05934	3.6
152.07161	6.1
155.20329	0.8
158.06097	1.0
162.05605	3.3
164.07167	3.9
174.05640	2.4
175.06351	2.9
176.07175	8.9
192.06685	2.2
194.08235	3.4
204.06676	2.0
222.07784	3.3
252.08870	1.3
312.10883	54.3
313.11261	4.0
330.11957	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	330.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14013	0.6
53.22536	0.5
54.08296	0.5
57.03446	0.5
58.94542	0.6
59.01379	16.3
59.15884	0.5
61.98824	1.5
63.64029	0.6
68.75233	0.7
68.99799	0.8
69.85411	2.1
71.01381	8.0
72.99319	0.8
73.02944	2.1
73.67725	0.6
81.03462	0.6
82.02972	0.7
82.89570	0.7
83.01382	1.7
85.02949	4.3
86.00114	4.1
87.00874	20.9
88.04076	0.7
89.02439	3.3
94.06614	1.1
95.01387	1.1
96.96001	4.1
97.02948	0.8
99.00856	1.1
101.02438	4.0
104.46668	0.6
107.03744	1.5
108.02175	22.0
108.04556	1.1
109.02930	4.1
111.00858	1.1
113.02436	4.9
119.03509	1.1
120.04522	0.7
121.05324	4.2
122.03762	1.0
122.06120	34.8
123.00818	0.8
123.04501	2.5
123.06438	1.1
123.98302	0.9
124.01649	1.6
125.02441	11.4
129.01953	1.5
130.17921	0.8
131.08258	10.6
134.06114	4.7
135.03250	1.9
136.04056	1.4
136.07677	18.3
138.05544	1.3
139.00421	0.7
146.06070	1.5
148.04033	0.8
148.07616	1.3
149.04820	2.1
149.99554	1.6
150.05605	100.0
151.04041	1.4
151.05956	2.7
152.01128	1.1
152.07169	7.9
152.91751	1.3
153.01941	3.9
158.06021	0.8
159.01515	1.1
159.03030	1.5
160.01585	0.8
161.04608	6.1
162.05603	2.1
164.07198	3.3
166.03073	1.1
167.03468	5.5
168.00620	3.2
168.03893	4.6
168.06526	0.9
168.99965	1.0
169.01419	14.4
169.04959	0.6
173.10445	1.1
174.05577	2.0
175.06371	3.9
176.07150	7.4
176.58292	0.6
187.00999	2.0
188.00549	0.9
192.06578	1.7
194.08252	3.8
204.06657	3.0
212.03528	2.1
214.15681	1.7
214.98793	0.7
222.07767	3.5
224.03511	0.7
232.87466	1.5
252.08688	1.5
254.04579	15.5
271.07211	16.8
300.10776	1.1
312.10873	50.2
313.01498	0.7
313.11359	2.9
330.11942	31.5
330.16028	1.5
330.84045	1.8
331.06662	12.9
331.12305	1.8
331.16080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1345
Annotation	Drupacine
Peak:m/z	Relative Intensity
56.20779	6.7
69.67013	19.7
121.02946	16.3
131.18759	7.9
150.19569	6.4
171.10268	20.3
172.10643	14.8
177.28159	7.1
178.97862	6.9
199.75752	7.6
201.11322	21.1
202.11679	16.9
247.49254	6.2
248.94211	6.8
272.10587	12.7
287.12827	24.9
329.23169	26.4
329.95108	7.8
330.23660	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	330.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	7.2
69.38330	16.6
69.38718	13.5
79.59596	6.1
93.51546	6.5
98.21927	15.1
109.02965	6.4
113.09759	6.7
121.02975	15.1
121.78841	6.9
135.04524	9.9
137.06053	30.6
148.50082	6.7
151.03911	7.2
165.05609	60.7
166.06326	11.4
176.03963	11.2
179.03293	9.8
191.05560	35.0
201.11272	8.7
215.05724	9.7
287.13141	8.0
312.21957	8.0
316.13110	40.9
329.22995	21.6
330.14185	8.0
330.18176	6.7
330.19330	8.3
330.23434	100.0
331.15439	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.8
70.91468	22.0
103.00223	13.8
114.01786	13.1
135.04509	17.0
158.11115	14.4
176.04117	18.9
191.05576	42.3
218.20195	13.9
229.86299	18.5
244.40204	13.6
287.13034	24.8
330.23694	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	330.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
71.01371	3.3
73.04070	11.5
73.80733	0.7
82.06606	3.9
83.01393	0.7
83.02510	1.8
84.08183	1.3
85.02954	2.8
97.02948	1.8
97.06596	1.1
101.02451	1.3
102.20311	0.8
103.05135	1.4
104.03543	0.8
108.02165	4.6
109.02445	1.1
113.02419	1.2
115.07584	0.7
116.61581	0.8
119.18290	0.7
123.04545	1.2
129.10318	1.0
130.08736	100.0
131.09056	2.4
132.04544	2.7
133.04897	0.7
137.02431	1.8
139.08769	2.8
140.07166	6.8
141.10315	4.8
143.11890	3.5
146.06110	2.2
152.01193	1.7
153.01465	1.0
167.03476	5.5
168.03813	5.3
168.11427	1.1
169.09821	10.3
170.10269	0.8
178.53487	0.8
181.09860	3.0
182.08238	1.2
182.15488	4.6
191.05704	0.8
199.10902	10.4
199.18143	40.0
200.18564	1.8
225.15958	1.1
243.17168	3.6
256.20297	18.1
257.20551	1.6
291.11380	1.4
292.11847	1.3
300.19275	17.4
301.19592	1.6
312.19238	1.9
330.04721	3.6
330.20316	95.8
331.17502	3.4
331.20807	6.6
335.10379	0.8
336.10724	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	330.2036
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
58.04101	1.1
59.01385	2.4
59.69322	0.5
62.42924	0.5
62.55283	0.5
66.03502	0.9
69.23173	2.7
71.01363	0.7
71.02507	0.8
73.04072	12.2
74.02458	0.5
82.06622	3.7
83.02498	2.2
84.08189	0.7
103.05140	1.5
104.03536	0.7
108.02152	0.8
112.07702	0.5
114.09233	0.9
125.10857	1.1
129.10347	1.2
130.08742	95.2
131.09071	2.7
139.08792	2.9
140.07173	7.0
141.10344	5.3
143.11916	2.6
150.05606	0.6
161.04726	0.5
167.03456	0.7
168.03882	0.5
169.09848	9.5
181.09845	2.2
181.90469	0.5
182.08153	1.1
182.15524	4.1
186.12479	1.1
199.10904	11.6
199.18156	38.0
200.11153	0.7
200.18556	1.8
211.15685	0.5
238.50383	0.5
243.17120	2.5
245.08864	0.6
254.23384	0.5
256.20306	16.2
257.20612	1.5
258.35110	0.5
268.20175	0.6
300.19305	14.1
301.19638	1.2
308.46231	0.5
312.19293	1.7
330.20352	100.0
331.20709	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	330.8957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98826	2.8
69.16943	8.1
103.92080	1.6
127.93156	48.9
128.95183	17.5
129.92349	2.1
139.93150	18.6
148.94199	5.5
154.95500	66.6
155.95740	2.3
156.93420	60.7
170.87030	1.7
172.94174	4.0
173.93619	2.8
173.94966	3.5
190.95264	6.8
198.94472	100.0
199.86098	4.0
199.94695	2.9
199.98805	2.6
211.86147	29.5
217.87033	1.7
226.88472	5.9
228.86302	12.7
244.89590	2.4
246.87430	4.0
264.91931	8.1
270.87439	52.6
271.87708	3.1
287.89099	2.8
288.88516	7.6
288.92041	8.2
306.93100	14.0
320.17725	1.5
330.89078	2.4
330.92978	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	331.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
62.38718	0.7
69.03455	1.8
69.61799	2.7
71.01379	1.9
72.27460	0.8
72.99304	1.0
74.08180	0.7
85.02948	1.7
87.04514	10.5
89.02459	1.0
90.97149	1.3
97.02924	1.3
99.04516	5.5
108.02184	1.2
113.02464	2.6
115.03995	3.9
116.98700	2.2
118.96643	1.5
130.96631	6.2
131.03514	10.2
143.03485	12.6
144.98203	3.1
146.67989	0.8
148.97664	3.4
155.00298	2.1
158.99713	6.4
161.01453	1.2
161.04559	8.2
170.99756	19.4
171.01213	1.3
173.01320	11.9
173.04483	1.4
186.99239	46.6
187.04210	1.5
187.99689	0.9
189.00888	1.4
189.97858	2.0
198.99295	2.3
201.00760	3.3
201.97932	2.4
211.02925	0.9
213.00916	1.7
213.04469	4.6
214.98721	2.6
217.00290	100.0
218.00615	2.4
223.02859	2.4
227.02368	1.1
227.99498	2.7
229.00217	1.9
239.02327	1.3
241.03938	7.7
243.01875	1.1
251.02263	1.5
267.01749	1.2
269.03381	6.7
271.01385	4.1
285.02859	7.2
287.04327	0.8
295.01807	0.8
313.02423	76.3
314.02698	4.4
330.99567	1.5
331.03430	28.5
331.08273	6.0
332.03973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.76968	0.5
51.16479	0.6
55.83259	0.6
59.01369	2.1
61.24981	0.6
61.77771	0.6
61.95866	0.6
69.03446	2.7
71.01368	0.9
75.56714	0.6
79.01900	0.8
81.03454	1.1
83.01379	1.2
84.97385	0.6
97.02939	2.8
107.01385	1.8
108.02155	1.4
109.02950	0.7
113.02448	0.8
123.00924	3.1
123.04543	0.9
124.01656	12.9
125.02445	56.9
126.02793	1.3
137.02408	0.8
137.99568	0.8
149.99576	23.0
151.00233	1.4
151.03969	1.0
153.01924	5.7
154.02687	0.8
165.02061	0.6
167.03491	2.6
168.00635	58.4
168.04237	3.7
169.01355	5.4
169.05025	2.4
173.04485	0.7
174.99139	1.3
203.70206	0.5
211.02353	0.6
254.04701	0.8
271.07251	0.9
313.05615	7.0
331.06686	100.0
332.07117	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	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.33398	0.5
52.18017	0.6
54.61099	0.5
69.03454	1.8
69.48462	0.6
71.01386	0.7
79.01885	1.2
81.03423	1.0
83.01378	0.8
97.02957	2.6
98.22694	1.1
107.01365	1.6
108.02182	0.9
123.00867	2.5
124.01654	11.6
125.02440	55.1
125.41623	0.5
126.02795	1.8
149.99574	23.8
151.00294	2.1
153.01926	3.9
164.61090	0.6
167.03487	1.0
168.00632	62.2
168.04300	1.9
169.01378	5.8
169.05078	0.6
188.91151	0.6
313.05682	5.9
331.06671	100.0
332.06946	6.0
347.79193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0821
Annotation	(2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
57.03416	0.9
59.01382	4.7
65.00308	1.0
65.78316	0.7
67.01876	2.0
68.99811	2.7
69.03455	1.7
69.63046	2.6
71.01370	3.1
71.05000	0.9
75.00845	0.9
77.03960	2.4
79.01872	1.6
81.03448	9.6
83.01370	6.1
85.02941	1.8
89.02451	1.4
93.03443	2.9
95.01372	1.0
95.05020	7.0
97.02940	25.2
97.06560	0.7
98.21917	1.3
99.04504	7.6
101.02440	2.3
103.73785	0.7
105.03465	0.7
108.01517	0.6
108.02160	3.6
109.02958	5.4
111.00925	0.8
111.04427	0.8
113.02470	1.2
119.01362	1.5
121.02937	5.9
122.03726	6.6
123.00931	1.2
123.04533	6.5
124.01646	1.2
125.02425	5.1
130.08725	1.8
135.00864	2.8
135.04494	1.1
137.02434	25.1
138.03262	3.3
139.04007	8.8
145.02884	0.8
148.01678	2.0
149.02441	2.9
150.03246	5.5
151.04015	2.0
153.01910	3.0
153.05640	0.9
159.91228	0.7
160.05296	0.9
161.02489	1.3
161.04558	1.3
163.00368	25.8
163.04022	3.0
164.00821	1.0
165.01920	100.0
165.05611	3.0
166.02682	7.4
167.03487	52.4
168.03882	2.4
168.55243	0.7
176.88123	0.6
177.01967	0.9
177.05632	0.9
178.96686	0.7
179.03493	3.7
193.01390	2.6
194.02112	1.7
201.05568	2.3
202.06395	2.2
204.04283	3.6
217.08643	2.9
217.14145	0.7
219.06627	3.6
220.07330	5.3
225.05666	0.9
226.06325	2.0
229.05023	0.9
231.78865	0.8
235.09709	2.5
241.04912	0.8
241.08643	1.2
242.05742	0.8
243.06548	1.2
244.07408	4.1
259.09805	2.9
261.07684	4.7
269.04529	1.9
270.05246	2.4
285.07690	6.5
287.09244	1.4
303.08707	48.5
304.09045	3.0
313.07138	3.3
313.16821	1.2
330.20166	1.0
331.08206	70.8
331.17303	7.3
332.08401	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	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01367	1.9
69.03463	0.5
71.01375	2.5
74.02442	0.8
82.00587	0.8
83.01356	0.5
85.02943	2.8
87.00915	0.6
94.25113	0.4
97.02936	1.0
101.02464	1.0
103.98573	0.5
107.01424	0.5
108.02181	1.3
110.00095	5.9
110.85788	0.5
113.02422	2.8
121.02990	0.4
123.00905	2.3
124.01676	4.6
125.02452	19.3
131.03506	0.9
131.08261	0.5
137.02458	0.9
137.99602	8.0
138.03288	0.5
139.00400	3.2
140.01118	0.9
149.99588	6.2
151.00346	1.1
151.04047	0.9
152.01199	2.8
153.01939	100.0
154.02597	4.1
155.03514	2.1
161.04564	2.2
164.01219	0.5
166.02759	1.0
167.03499	11.8
168.00645	15.3
168.04277	51.8
169.01387	0.9
169.05075	12.0
170.05362	0.5
173.04546	0.9
174.99234	1.2
179.03500	0.7
181.05034	0.8
181.28560	0.4
189.00781	0.8
191.03636	0.5
195.13783	0.4
209.04657	0.9
211.06145	0.9
239.05305	0.5
254.04556	1.0
271.07242	1.4
299.07712	0.6
313.05640	1.9
331.06674	25.8
331.10382	5.3
332.06998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.0
69.08959	2.5
69.09363	5.4
70.84241	1.1
71.01369	6.3
73.02940	2.6
74.97754	1.0
84.66323	1.2
85.02940	2.7
89.02428	3.1
95.04986	1.1
99.00906	1.0
101.02444	4.0
102.98571	1.4
108.02155	2.6
113.02479	2.5
119.03507	1.1
120.04472	1.1
134.06122	4.1
137.49701	1.1
143.08679	1.0
159.05652	2.4
161.04614	2.6
182.06114	1.3
197.08441	1.7
212.10730	7.7
225.06622	2.4
226.07422	4.2
239.08246	4.1
240.09041	9.3
241.09587	1.3
243.19632	1.3
255.11382	100.0
256.11810	7.9
271.19138	2.5
289.20203	10.2
331.21213	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08338	1.6
50.48850	1.4
55.08647	1.8
59.01374	11.7
59.74748	1.6
59.99569	1.9
71.01381	3.4
71.42820	2.2
73.02931	2.5
74.02472	26.7
85.89943	1.7
86.84864	1.6
93.65282	1.7
97.04045	1.7
97.55272	1.7
99.92579	2.2
100.93356	3.5
101.02448	1.9
108.02161	8.2
109.02905	2.6
111.05611	2.4
113.02481	1.8
115.92043	5.6
116.92854	15.3
125.07202	3.4
125.09793	2.3
137.02464	4.5
142.94383	2.6
143.04485	2.5
148.11290	2.7
158.93887	7.3
160.50615	1.7
161.04543	2.8
165.01900	2.1
166.12311	5.4
167.03444	3.3
180.13873	5.0
191.05722	2.0
191.15393	1.7
196.13388	7.2
209.16565	1.9
235.14565	3.6
253.12962	3.4
253.15553	52.0
254.15706	3.4
279.13718	3.2
285.14459	5.5
297.14551	100.0
298.14880	6.6
303.22998	2.0
310.22861	1.8
331.08948	2.8
331.13361	30.6
331.17300	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	331.1549
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
57.03439	2.7
59.01346	1.8
60.99297	2.3
70.15878	2.8
73.02914	2.0
79.16396	1.0
79.26458	1.1
87.99742	0.9
108.02155	4.0
111.26714	1.1
129.58997	1.1
139.58040	1.0
141.83241	1.0
145.70973	1.0
161.04562	1.2
183.11703	2.6
191.05688	1.4
201.49231	1.1
213.12854	1.7
221.13461	2.1
225.16447	20.4
226.16853	1.3
237.12901	2.4
239.14470	2.0
243.17484	23.7
244.17749	2.0
253.12131	1.1
257.11862	3.3
269.15454	4.4
287.16483	12.7
313.14548	1.2
331.15479	100.0
331.24689	3.2
332.15750	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	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14519	0.5
56.53218	0.6
59.01379	100.0
60.01711	1.0
70.60963	1.1
71.01377	7.0
73.02951	1.7
83.01397	1.5
84.84277	0.6
85.02954	3.6
89.02450	1.4
95.01423	0.9
99.00883	0.8
101.02440	5.1
105.07113	1.0
108.02188	1.8
113.02438	3.3
113.13578	0.6
161.04538	3.8
161.13348	1.5
175.02776	0.7
191.05759	0.7
205.12335	8.5
206.12814	0.7
271.19128	0.9
273.33136	0.6
287.12585	5.6
289.16635	5.1
289.20294	3.6
317.77841	0.6
331.11771	1.5
331.21442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33423	2.3
59.79686	1.8
61.98817	3.8
69.60474	7.0
71.01376	14.7
88.15952	1.9
97.02943	2.4
98.22688	2.7
102.30472	2.3
108.02189	2.9
108.89458	2.1
117.54086	2.2
125.99355	2.5
141.09183	4.4
152.91740	2.3
165.01698	6.3
165.08852	2.1
170.44620	2.3
172.88017	2.6
181.08385	4.1
183.09988	3.8
193.08444	13.2
222.08725	100.0
223.09473	42.4
245.51935	2.9
254.07748	3.4
262.11813	6.7
301.03235	2.2
313.17944	2.9
331.18954	41.3
331.22681	2.7
332.19196	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
50.65260	0.2
52.73436	0.1
58.21408	0.2
58.22128	0.2
59.01330	0.1
65.75053	0.2
66.54366	0.2
69.45947	0.1
70.43752	0.2
81.45992	0.2
89.15203	0.2
96.04568	0.2
108.02192	0.3
129.95352	0.2
154.64243	0.2
209.03397	0.2
243.10284	0.7
245.08159	0.8
247.09756	0.3
259.09723	7.1
260.10452	2.1
273.11395	0.3
298.15820	0.4
301.14429	0.9
303.19577	0.2
315.16006	2.8
316.16641	2.6
317.17236	0.2
330.67557	0.4
331.19116	100.0
332.19464	10.8
348.15408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	PGB3
Peak:m/z	Relative Intensity
53.00043	0.3
54.07742	0.3
64.33776	0.4
67.05518	0.7
71.24210	0.3
83.05026	1.1
107.86554	0.3
108.02116	0.3
109.02958	0.6
119.08644	0.7
124.05360	0.6
135.08176	0.8
136.01700	0.3
136.74278	0.3
137.02449	3.5
137.06104	0.3
151.04039	0.4
151.07680	0.4
152.04779	2.3
163.07645	1.1
164.04791	0.6
165.01810	0.4
165.05620	0.4
167.07161	1.3
179.07123	3.0
179.14459	0.3
180.07806	0.3
191.14439	2.1
194.05786	0.3
203.14394	0.8
207.06656	1.8
208.07448	0.7
219.13844	0.8
229.12442	0.4
244.14798	0.3
245.11801	0.5
247.13397	1.1
259.09741	0.7
259.20657	1.3
269.19031	0.6
271.16980	0.5
273.11334	2.1
285.18652	0.4
287.16708	0.7
287.20236	1.6
288.13675	1.3
303.19662	5.9
303.22971	0.2
304.19916	0.6
313.18268	0.7
315.16132	0.6
316.16632	0.6
331.19144	100.0
332.19489	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	331.1916
Annotation	11,12,14-Trihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
57.12287	1.0
59.01381	1.0
61.98821	1.2
62.94277	1.0
67.01889	4.9
70.32771	1.9
71.01398	1.1
79.45287	1.1
83.05012	1.9
108.02173	2.0
116.54991	0.9
136.01668	1.3
164.04803	3.3
177.98396	0.9
179.07137	18.6
179.08720	1.1
187.74149	1.0
191.14401	7.0
193.15904	1.3
207.06621	1.6
221.57584	1.1
236.95029	1.0
270.16107	1.5
275.20090	12.7
276.20523	1.2
287.59753	1.0
298.15637	1.2
303.19650	100.0
304.20032	8.4
331.19138	78.2
332.19604	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	331.1916
Annotation	PGB3
Peak:m/z	Relative Intensity
59.01374	0.3
61.98835	0.6
62.71520	0.3
62.76588	0.3
67.24060	0.3
69.52383	0.9
71.45493	0.3
76.86494	0.3
81.03452	0.6
83.05029	1.2
98.22626	0.5
108.02149	0.6
109.02906	0.5
113.02496	0.3
119.08641	1.3
124.05241	0.4
135.08142	1.3
137.02464	2.6
137.06070	0.9
138.71341	0.3
151.07669	0.4
152.04779	2.0
158.64423	0.3
163.07631	1.2
163.11292	0.3
164.04816	0.4
165.05545	0.6
166.06300	0.3
167.07130	1.3
179.07118	4.0
191.14398	2.5
203.14471	0.7
207.06612	2.0
208.07304	0.8
219.13872	0.7
229.12355	0.5
243.17628	0.4
244.14682	0.4
245.11823	0.4
247.13348	2.5
247.20549	0.3
257.19122	0.3
259.20670	0.8
269.19073	1.5
271.16977	1.1
273.11270	2.4
285.18619	0.8
287.16821	0.8
287.20178	2.8
288.13599	1.9
288.16730	0.4
303.19662	10.2
303.23282	0.5
304.19977	1.1
313.17963	1.8
331.19128	100.0
332.19470	10.2
332.23468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
61.98824	0.6
69.89985	0.3
69.90314	0.5
69.90699	0.7
72.66755	0.3
73.79607	0.2
87.81660	0.2
90.06614	0.3
98.32607	0.3
105.48840	0.3
108.02145	0.4
110.49511	0.3
118.84829	0.3
180.21176	0.3
259.16937	0.4
270.16235	7.2
271.16687	0.9
272.14124	0.4
283.13425	0.9
285.18637	4.2
286.18979	0.5
287.20087	1.7
288.20352	0.3
297.14868	0.4
298.15732	34.7
299.16135	3.0
313.18112	5.4
314.18268	0.5
331.19135	100.0
332.19458	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	331.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33425	1.9
56.52896	1.9
59.01376	2.9
69.06431	13.8
71.01381	9.0
85.74065	2.1
86.02470	4.2
91.92445	1.9
98.21880	4.0
108.02176	3.4
140.16403	1.9
166.51889	2.2
167.98309	2.1
179.07109	4.1
195.13913	4.9
232.57390	2.2
270.16260	7.0
277.21677	4.0
285.18481	6.3
295.22763	35.3
298.15741	27.2
299.16995	2.0
299.20316	7.4
310.49420	2.4
313.18066	5.3
331.19144	100.0
331.26901	6.7
332.19415	6.7
333.40463	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	331.2278
Annotation	Tessmannic acid methyl ester
Peak:m/z	Relative Intensity
58.50409	0.4
98.22678	0.9
99.02619	0.4
108.02316	0.4
128.27678	0.4
215.10780	0.9
227.10820	0.4
228.11623	1.0
232.66469	0.4
283.17010	0.6
284.17786	1.6
299.20163	100.0
300.20493	10.7
301.21686	1.0
331.19077	4.1
331.22726	24.0
332.19467	0.6
332.23065	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	331.249
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
57.03433	0.7
58.00586	1.0
59.01380	3.0
61.98829	0.4
69.16426	1.0
69.16837	0.5
71.01387	0.4
72.99302	0.4
73.02962	0.6
79.51594	0.3
108.02142	0.4
111.08148	2.1
113.09731	3.3
123.08160	0.8
124.10474	0.3
125.09693	0.5
127.11268	0.8
129.09229	1.5
136.04030	0.3
139.07639	0.6
141.09207	2.9
141.12863	2.3
143.10753	1.3
151.07643	1.2
153.09238	1.6
153.12868	0.3
155.14449	2.1
157.08701	16.4
158.09050	0.5
159.10252	0.4
169.08705	0.3
169.12314	0.8
171.10291	2.6
171.13922	4.3
173.45392	0.3
187.09760	7.4
188.64084	0.3
197.97021	0.3
221.15338	0.3
224.42932	0.3
251.23576	0.3
277.21698	1.7
288.16251	0.3
295.22891	1.6
311.22266	0.7
313.23874	6.0
314.24234	0.5
331.24893	100.0
332.25238	9.0
332.29263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.59346	24.5
69.59685	28.3
71.01380	33.9
73.01176	39.4
73.02957	16.9
74.02462	16.9
85.02910	13.7
87.00854	13.1
89.02435	16.5
99.14951	11.6
101.02461	24.7
106.14964	12.2
113.02422	16.1
117.00153	21.6
120.01366	11.6
122.06168	25.6
134.56978	10.2
136.04041	44.2
148.52184	10.9
150.98982	13.4
152.07201	31.7
170.02794	62.8
191.05699	12.8
227.72307	11.0
245.04939	13.2
245.12888	12.8
289.12045	22.8
332.02423	12.4
333.15466	32.2
333.18842	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	332.1403
Annotation	Cyclo(-Phe-Trp)
Peak:m/z	Relative Intensity
51.09501	1.3
57.92015	1.3
59.01366	1.1
69.02290	1.1
71.45890	1.0
72.00901	6.3
74.02461	13.1
82.78516	1.1
83.10563	1.1
114.69888	1.2
116.05067	41.8
117.05355	1.2
130.06615	5.2
133.01401	1.0
142.06630	15.5
157.07678	3.5
159.09262	13.0
203.08252	100.0
204.08525	4.5
288.14923	5.2
288.47385	1.3
332.14059	17.4
333.14178	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	332.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	36.6
61.98828	100.0
70.82634	51.5
92.91269	37.5
93.66713	37.1
120.99741	41.3
126.68309	41.1
168.91418	57.3
173.88570	48.4
193.60809	44.4
246.88443	44.3
265.56778	43.2
333.20673	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79962	22.7
57.00135	24.2
57.48524	26.2
59.01370	58.9
69.67459	100.0
72.41878	24.4
79.85574	24.3
80.41697	23.3
97.31834	22.6
98.21926	53.7
101.56875	23.8
138.26050	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
59.69964	0.3
61.69197	0.4
62.99678	0.4
69.03503	0.4
69.56933	1.5
69.57271	0.5
71.01389	1.8
73.02934	0.8
78.03500	1.0
80.05038	0.6
85.02945	0.6
89.02446	0.8
92.05070	2.2
94.06617	4.0
96.96002	0.4
98.22649	0.6
101.02436	1.4
103.04264	0.3
104.05047	3.4
105.03448	2.4
106.05926	0.8
106.06620	11.9
107.03792	1.6
107.06978	0.4
108.04535	1.4
110.06075	0.4
113.02439	0.8
119.03540	0.4
120.04552	6.5
121.05325	1.7
122.02489	0.4
122.06116	14.4
123.03283	1.9
124.07712	0.9
131.03764	1.0
132.03641	0.8
132.04553	7.8
135.03273	1.0
138.05606	22.7
139.05972	0.9
140.07088	0.5
148.04005	0.9
150.05589	2.6
152.07214	0.4
159.06860	0.5
161.04572	0.6
166.05037	0.7
168.06664	1.4
173.08414	0.4
174.12863	0.7
184.11310	0.5
189.07875	0.8
191.95845	0.5
200.05893	0.6
203.09552	0.7
209.11823	1.7
213.06650	1.1
215.11919	2.1
217.07373	2.0
218.11865	0.5
219.05426	0.4
227.08241	1.0
227.11891	0.4
228.08968	0.5
231.08951	0.8
231.11200	0.8
241.09804	2.8
243.11400	1.8
246.11282	0.7
259.10831	1.2
271.10901	1.6
289.11917	100.0
290.12228	7.5
333.10846	9.7
333.15018	0.5
333.19138	1.0
334.11377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.3
61.98834	1.1
69.82748	2.8
70.40900	0.7
73.21055	0.8
74.81514	0.8
81.03412	0.7
87.00875	100.0
88.01236	1.7
96.40743	1.0
99.04536	1.7
101.98848	0.9
104.49001	0.8
121.02976	2.6
122.03741	1.8
127.04044	2.7
152.14108	0.8
155.12569	1.1
163.89645	0.9
197.06314	1.1
213.09181	1.8
253.08629	2.7
258.09036	3.3
273.11346	13.5
283.81506	0.9
333.13489	2.1
333.20255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62348	0.5
58.99318	0.8
58.99601	14.5
59.01381	4.4
71.01374	0.9
74.99099	2.1
80.69898	0.5
90.45478	0.5
102.98595	100.0
103.98930	2.0
111.04503	1.2
120.99654	6.6
139.11255	3.2
155.03467	0.9
163.00726	5.2
273.72260	0.6
287.09305	0.6
328.09930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1704
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
59.01372	14.0
61.98818	1.3
69.80945	0.8
71.01385	1.3
71.05016	10.4
73.02895	0.9
83.05019	5.1
84.42659	0.9
87.04498	1.2
93.03445	0.9
95.05034	2.8
96.96001	3.3
99.04513	26.5
105.07058	1.1
109.02943	1.9
111.04510	5.0
113.06118	1.9
123.04521	1.5
127.95039	0.9
133.03000	1.0
135.04547	1.3
135.08109	1.2
137.02409	1.5
137.06038	1.6
137.09669	3.2
150.63919	1.2
152.99593	1.3
153.09264	1.8
155.10768	17.7
160.05226	1.8
161.06056	1.6
163.07642	2.3
166.30708	1.0
171.10246	6.6
181.08682	1.0
187.07646	3.3
199.09766	4.4
200.08461	6.0
203.10754	3.7
205.12381	1.9
215.10776	4.4
215.12877	2.6
217.10773	7.4
241.12404	0.9
266.30170	1.0
271.13434	1.5
273.13400	4.1
273.17123	1.2
277.14444	2.3
287.16507	2.6
289.07095	2.3
291.14490	17.9
292.14841	1.8
297.14908	3.6
300.13464	1.2
315.15958	100.0
316.16327	8.2
333.05975	1.5
333.16434	10.1
334.17255	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	333.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90007	0.9
52.35661	1.1
59.01377	100.0
61.98828	1.2
64.17948	1.1
69.16129	5.9
71.01369	3.4
73.02940	2.0
85.02959	4.6
91.72626	1.1
97.55830	1.0
99.00920	1.2
101.02455	3.9
113.02500	1.6
122.21895	1.1
161.04552	1.8
291.18161	4.4
333.17178	3.6
341.48322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32598	0.7
61.98816	2.2
70.43524	1.8
71.01374	10.1
78.75027	0.7
125.99344	3.1
141.09142	1.0
152.00980	1.1
157.39749	0.9
165.01689	6.2
193.04774	1.2
193.08366	2.2
194.05638	0.9
221.07884	2.0
222.08722	100.0
223.09148	5.0
236.10387	1.9
247.04289	0.9
254.07684	2.9
329.76904	1.0
333.15790	1.2
333.20483	22.2
334.20776	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	333.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70137	0.5
67.70518	0.6
69.03457	1.0
69.39537	2.5
71.01376	0.7
73.25269	0.5
84.02159	1.2
97.02929	4.2
97.06593	0.5
99.08181	2.0
100.08545	0.5
113.06116	0.8
115.07632	1.2
127.07650	21.3
129.09215	2.0
130.34633	0.5
141.09261	0.7
141.63197	0.5
165.12874	1.9
169.08534	1.0
178.02525	0.9
181.12323	4.0
182.13086	0.8
183.13875	4.2
195.14021	0.7
198.12427	0.6
201.08949	2.9
203.10497	6.5
205.12151	1.5
219.06381	0.7
221.11537	3.6
223.13144	26.2
224.13451	1.8
233.08029	1.3
233.11571	13.2
235.09523	1.8
237.10973	2.6
241.32932	0.6
249.14903	0.8
261.03860	0.7
261.06589	0.6
262.11880	15.0
263.12323	1.1
265.10690	1.2
266.10922	0.7
267.12106	10.7
268.12256	0.7
269.15451	0.5
285.18524	1.1
287.20047	0.9
303.19476	3.3
305.20853	2.8
315.19385	5.2
319.18924	0.6
333.20465	100.0
334.20804	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	333.2067
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
59.26148	0.3
63.07489	0.2
69.05920	1.8
73.36024	0.3
74.93312	0.3
86.71661	0.3
123.85197	0.3
128.33934	0.2
155.92995	0.3
166.45078	0.2
168.91403	0.3
275.69507	0.3
324.73889	0.3
333.20691	100.0
334.16992	0.5
334.21002	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	333.2071
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
54.17567	1.3
61.98817	2.2
92.92775	1.4
94.92544	1.2
95.01398	4.2
97.00045	1.2
109.02920	1.7
110.03712	1.5
123.00880	25.8
125.02517	1.3
125.63195	1.3
137.02470	7.5
138.03203	3.0
139.04031	2.3
151.00410	1.8
152.01199	1.3
165.01903	10.8
166.02689	1.7
167.03513	5.5
179.03526	5.1
182.42673	1.6
193.08701	2.8
221.08179	1.7
247.13371	2.7
261.14725	1.6
305.21155	3.6
318.18347	4.0
333.20706	100.0
334.21390	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2067
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
60.81958	0.5
68.96208	0.6
69.48445	1.6
76.41271	0.5
80.48310	0.5
92.63988	0.5
130.82184	0.5
177.28320	0.5
194.70065	0.5
259.20789	1.1
270.90448	0.5
287.20175	1.4
289.21756	7.2
333.20700	100.0
334.21045	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	333.2069
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
51.79200	0.3
56.06429	0.3
68.07635	0.3
69.19251	0.3
71.05466	0.5
73.13981	0.3
109.02960	1.7
110.03729	4.9
114.46383	0.3
124.05236	0.5
125.02437	0.7
132.17726	0.3
137.02443	2.4
138.03229	6.8
142.02713	0.5
144.86325	0.3
151.03993	0.9
165.01895	0.4
165.05629	0.3
166.02705	5.8
167.03297	0.4
179.03488	8.6
179.05061	0.5
180.04277	2.4
191.07103	0.3
193.05046	3.6
198.01698	0.9
221.08218	0.4
235.09714	1.0
236.10527	1.4
290.99911	0.3
305.21219	7.0
306.21487	0.9
307.95880	0.3
333.20685	100.0
334.21027	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	333.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.02495	0.3
59.06610	0.3
65.94250	0.3
69.83809	1.0
78.55963	0.3
79.95742	1.0
90.28424	0.3
105.87103	0.3
109.02937	2.1
110.03730	5.5
123.00906	0.4
124.05296	0.4
125.02432	1.2
137.02411	2.6
138.03223	6.9
138.13715	0.3
142.02722	0.8
145.27255	0.4
151.04001	1.2
152.04811	0.4
156.04268	0.4
165.01897	0.5
166.02696	4.7
167.03430	0.4
179.03482	7.6
180.04294	2.2
191.07054	0.4
193.05035	4.0
198.01662	0.9
232.60048	0.3
235.09760	0.9
236.10483	1.6
305.21182	5.6
306.21463	0.4
312.78317	0.4
333.20682	100.0
334.21063	9.7
334.24503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58839	5.8
51.17278	7.0
54.01104	5.9
58.83784	6.9
59.01380	100.0
71.01369	40.7
73.61372	5.4
75.00872	30.3
81.57065	6.9
89.02460	19.8
95.60201	7.7
101.02440	28.4
111.08170	23.7
113.02459	31.8
119.03525	12.1
124.56105	6.5
128.42259	7.0
135.04501	12.5
155.07155	18.4
201.11398	8.4
221.10252	8.4
244.13470	9.2
334.16458	29.4
335.17111	23.6
335.20831	26.5
352.85132	7.3
359.53906	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	334.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88123	8.9
57.42080	8.8
59.01374	100.0
69.09225	50.3
69.09639	19.7
70.40276	8.5
71.01382	14.9
73.02972	11.7
83.40054	8.3
91.03786	9.6
101.02449	28.5
107.24355	10.2
111.04520	15.0
129.18048	10.9
162.02325	13.2
182.51791	9.7
202.87822	12.7
231.10138	11.1
290.42062	10.1
318.89261	9.7
334.19827	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	334.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	74.4
70.49297	4.6
70.49631	5.1
71.01387	30.2
73.02953	7.0
81.70284	4.0
85.02943	6.4
89.02434	14.9
95.01439	4.0
101.02431	15.1
101.42258	4.0
101.77849	3.9
110.87935	4.9
113.02445	9.4
151.70837	4.4
155.10785	10.0
156.11127	4.2
171.10251	4.7
172.10742	4.9
173.11829	20.8
249.13513	5.9
292.14969	8.5
315.02368	4.2
334.16187	9.8
335.14069	4.6
335.17151	100.0
335.21085	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	334.1661
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
55.19713	2.7
59.52382	2.3
61.98803	3.4
68.16050	3.2
68.19843	2.6
69.03445	2.8
69.29671	2.7
69.68205	5.5
69.68592	5.0
73.02946	7.5
75.59759	2.7
83.04999	5.4
93.47481	2.9
98.21837	5.3
105.51209	2.9
160.25952	2.6
161.02408	6.6
192.95938	4.7
195.60335	2.6
202.12256	3.0
214.16008	4.1
219.77220	2.8
246.18648	11.2
258.14917	3.8
272.16611	3.3
290.17712	22.7
302.13953	7.7
334.16605	100.0
334.20667	4.8
335.16949	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	334.202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	25.8
69.30263	75.9
78.38384	19.4
118.94210	22.3
135.04601	22.3
170.88295	24.9
192.95840	38.7
252.88805	24.8
260.87088	24.3
289.33121	18.5
291.19806	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	335.0513
Annotation	2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Peak:m/z	Relative Intensity
59.01353	0.8
61.98806	1.0
68.99221	1.1
68.99570	12.9
69.80055	0.9
69.80396	1.5
72.59109	0.6
75.21264	0.6
78.50701	0.7
80.62734	0.6
86.37220	0.7
88.53778	0.6
102.67585	0.6
111.02513	2.4
146.48657	0.6
161.02177	1.0
170.88383	0.9
172.93376	0.7
177.03459	0.8
192.95865	1.6
195.04480	0.8
197.04050	3.6
203.63521	0.6
215.05070	1.6
225.03638	3.4
227.03282	0.8
244.03381	2.3
245.04227	4.9
252.88559	0.8
265.04810	100.0
266.05170	6.2
275.03146	0.8
295.03790	0.8
315.04520	2.0
335.05121	44.8
336.05496	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	335.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69658	0.4
61.98475	0.4
69.18851	2.4
73.47206	0.4
79.95737	19.8
80.96517	4.2
85.02939	0.6
96.38053	0.4
98.21879	1.0
155.35886	0.4
156.05727	0.5
180.05742	0.5
184.05251	0.4
186.00259	0.4
195.08165	3.3
196.08818	1.3
211.07721	1.3
212.08418	2.1
238.06316	0.6
239.07130	67.1
240.07828	21.9
241.08363	1.3
255.10257	100.0
256.07587	0.8
256.10605	7.6
269.02118	0.4
271.09668	2.5
286.94119	0.5
301.31519	0.5
320.03629	0.7
335.05948	81.8
336.06265	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	335.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86600	0.6
59.01390	0.6
70.46395	0.6
70.96188	0.5
78.30551	0.5
79.95734	21.3
80.96519	3.6
85.83105	0.5
123.65236	0.6
144.00529	0.5
163.80475	0.5
192.95811	0.7
195.08124	3.2
196.08871	2.2
211.07611	2.0
212.08446	1.8
223.07744	0.8
239.07129	70.7
240.07832	21.6
241.08287	1.7
253.08575	0.6
255.10249	100.0
256.07703	1.0
256.10568	9.1
271.09717	3.1
288.70096	0.5
295.49399	0.5
320.03558	0.9
326.71945	0.5
335.05923	93.0
336.06277	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	335.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22940	5.4
59.01392	6.5
61.98826	7.5
70.16543	4.3
70.63567	4.8
83.37540	4.8
93.03443	31.8
96.95998	4.4
131.25110	4.4
137.02441	100.0
252.88803	5.1
335.12729	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
55.01867	0.4
59.01373	3.3
61.98827	0.5
69.03458	0.4
71.01382	1.5
73.02946	1.9
75.00844	0.5
76.80788	0.4
81.03478	0.9
83.05022	2.3
85.02948	0.9
87.62930	0.3
89.02445	0.5
93.03455	12.1
98.19740	0.3
98.31746	0.3
99.00867	0.7
99.04523	0.7
101.02437	0.9
105.48568	0.4
106.04233	0.6
107.05073	1.8
109.02940	0.5
111.04513	4.0
112.38206	0.4
112.78136	0.3
113.02444	2.2
114.33716	0.3
121.02946	2.2
130.08728	0.6
132.02217	0.5
132.04582	0.5
133.02946	8.4
134.03763	4.4
135.04518	100.0
136.04836	3.2
137.02419	4.6
137.32635	0.3
143.03503	0.4
143.49658	0.3
152.80359	0.4
154.02538	0.3
155.03503	1.8
155.07091	0.6
158.84689	0.3
161.02437	22.2
162.02832	1.0
173.04564	2.2
179.03487	76.4
180.03842	3.3
201.11304	1.1
215.03426	0.5
221.10281	1.1
281.19290	0.4
282.59131	0.4
291.01938	1.6
291.08762	0.8
292.02203	0.4
300.19150	0.9
335.07697	32.7
335.16956	0.8
335.20660	1.7
336.08011	2.8
336.18243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.077
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
70.97706	0.6
73.02946	1.6
81.03448	0.7
83.05013	1.9
84.48429	0.4
91.05515	0.7
92.68308	0.4
93.03454	12.6
93.04021	0.9
95.36726	0.4
97.66196	0.4
99.00907	0.6
99.04569	0.5
107.05007	1.2
109.02964	0.4
109.61135	0.4
111.04516	4.0
117.03490	0.7
133.02948	8.6
134.03749	5.8
135.04517	100.0
136.04854	4.1
137.02429	5.3
155.03500	1.6
161.02434	22.9
162.02794	0.8
173.04541	1.7
179.03482	86.3
180.03812	3.9
197.05574	0.4
237.49754	0.4
281.67221	0.4
291.08530	0.6
293.32458	0.4
335.07690	30.4
336.08069	2.7
339.18289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01373	5.4
65.03944	0.6
69.03462	2.4
71.01377	5.7
73.02940	1.9
83.01384	0.5
83.05018	2.1
85.02941	2.1
89.02446	1.4
91.05525	0.8
93.03454	11.4
93.27653	0.4
95.39737	0.5
97.93138	0.5
98.93905	0.6
99.00882	1.7
101.02426	3.0
102.22359	0.5
103.28610	0.5
107.05054	1.7
109.03063	0.6
111.04514	3.9
111.08136	1.1
112.04865	0.5
113.02445	14.2
114.90163	0.6
114.93394	3.3
121.02943	10.0
125.02460	1.0
130.08684	0.9
132.04543	2.7
133.02963	6.7
134.03746	4.4
135.04518	100.0
136.04851	4.0
137.02434	5.0
146.06145	2.0
155.03476	1.7
155.07150	1.8
161.02444	21.4
161.04578	1.8
162.02756	0.7
173.04579	2.3
179.03488	84.1
180.03827	3.2
191.05499	0.8
201.11423	0.6
215.03636	0.5
221.10274	8.5
237.00885	1.2
240.44675	0.5
243.02844	0.6
291.01901	4.6
291.11362	1.4
300.19412	1.1
317.17578	2.3
335.07700	28.7
335.16980	0.9
335.20752	2.3
336.07819	2.4
336.17960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75042	25.9
59.01364	100.0
71.01365	50.0
81.13510	28.0
88.13302	26.7
89.02424	45.9
108.48448	29.7
111.08177	52.0
137.02461	62.1
155.03419	40.1
155.07101	59.6
173.02109	45.3
175.14940	29.8
197.04640	41.0
335.13242	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64238	1.7
59.01381	3.9
65.39600	1.8
69.07519	7.2
69.07923	3.4
73.02910	2.4
76.87418	2.0
81.77025	2.1
85.06588	11.7
87.29175	1.7
93.03466	5.0
95.38868	1.9
101.02450	8.6
112.54678	1.9
121.02950	66.1
122.03338	2.3
133.02980	3.1
134.03734	5.7
135.04529	8.9
146.96349	1.8
147.04503	12.5
149.95676	1.7
161.02437	13.1
162.03224	29.6
163.03986	27.7
164.04430	1.9
173.04590	4.5
177.05576	30.0
192.07930	79.0
193.08232	3.7
207.10246	14.5
208.32304	1.7
238.73886	2.2
248.10527	89.2
249.10886	6.1
257.21344	2.2
258.21625	2.4
263.12885	100.0
264.13242	6.9
316.72208	2.3
317.17825	2.1
321.06964	2.0
335.07623	5.4
335.18814	9.6
336.14389	2.4
336.18326	3.3
338.42917	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	335.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17871	1.9
59.01378	6.8
69.63686	2.2
72.75925	2.2
88.71394	2.2
91.71169	2.0
93.03458	3.0
93.99635	2.0
97.02962	2.5
121.02950	15.5
122.03733	77.8
125.02451	2.9
135.73773	2.0
136.05312	9.1
139.03999	25.2
155.48631	2.2
161.02466	5.4
168.04306	1.9
173.04576	2.9
243.06599	4.8
258.08862	4.3
268.59088	2.2
271.32932	2.1
273.11304	100.0
274.11679	7.4
291.12384	32.5
335.07816	3.3
335.17184	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	335.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	2.6
67.76102	1.8
70.96922	3.1
71.01362	4.0
73.02940	4.9
73.67787	1.8
79.95728	6.0
85.06575	4.8
87.04538	2.4
93.03464	10.3
105.19521	1.7
106.04240	36.7
107.05051	2.7
113.02435	5.9
113.06078	18.1
121.06594	2.6
125.06086	12.1
135.04568	2.3
138.03223	3.0
173.09673	13.0
174.06822	1.9
187.11273	4.0
197.09708	7.6
203.10712	3.3
215.10765	28.3
216.11143	3.5
219.13866	2.4
221.11725	3.4
247.13376	100.0
248.13693	7.5
248.52232	1.7
255.10297	2.6
256.10870	2.0
291.12238	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	335.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73016	1.5
59.01365	6.1
69.33533	2.4
69.33823	8.4
70.00111	1.6
71.69088	1.8
84.92365	1.8
93.03430	5.5
95.05014	3.5
95.60512	1.4
99.62405	1.8
102.36565	1.5
102.80167	1.6
108.02145	2.0
109.02953	2.5
109.70736	1.4
111.04519	2.5
113.06081	2.7
121.02946	60.8
122.03757	39.3
123.04591	2.0
134.03732	2.9
135.04529	13.2
136.01672	3.0
136.05284	23.2
137.06027	6.1
138.03217	2.1
150.03244	3.3
152.64639	1.5
153.05571	4.4
161.02467	3.0
204.07985	1.8
230.09471	22.3
232.10985	4.8
234.08926	3.0
245.11778	12.3
248.10475	11.8
258.08945	100.0
259.09271	7.0
273.11304	98.9
274.11655	6.5
276.09955	6.8
291.12354	23.9
292.12967	2.5
335.07635	2.8
336.14703	1.6
347.29288	1.5
353.75012	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	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
57.03421	1.4
59.01376	27.0
62.55712	0.9
69.03454	12.3
69.19892	6.0
69.28073	1.0
71.01379	20.3
73.02937	9.5
79.56376	0.9
83.01366	5.5
85.02943	12.0
85.07797	0.9
89.02443	4.4
93.03457	2.1
95.01386	2.0
99.00853	1.8
101.02451	16.9
101.06049	1.3
105.24132	1.0
111.00938	1.2
113.02447	100.0
114.02753	1.6
119.03477	2.2
132.34322	1.1
135.04533	9.1
136.98572	1.5
154.99596	1.3
159.02989	2.5
161.02435	3.9
161.04532	10.2
173.08141	1.4
174.05545	2.2
179.03482	5.6
191.05386	0.9
192.07172	0.9
197.04573	1.0
221.10291	50.5
222.10719	1.6
335.07779	2.8
335.13501	3.8
335.16858	2.1
335.20715	34.2
335.24774	2.0
336.21255	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	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
57.03454	1.5
59.01380	19.6
61.98804	0.9
62.41795	0.7
62.42186	0.6
69.03461	13.5
71.01379	16.0
72.99326	1.1
73.02935	9.4
75.00871	7.7
75.77545	0.7
80.05051	2.1
83.01369	3.9
85.02958	9.7
87.00882	1.2
89.02454	1.7
92.05052	1.0
94.06630	4.0
95.01390	1.8
98.00076	1.0
98.22639	1.4
99.00866	4.3
101.02445	22.7
107.03821	1.5
108.04546	5.1
113.02451	100.0
114.02797	2.1
120.04543	4.0
122.02504	1.3
122.06100	1.6
124.07664	3.7
136.04002	1.2
138.05576	2.8
141.77979	0.7
143.03523	0.8
148.04079	1.5
150.05650	2.8
159.02992	2.2
161.02499	1.5
161.04558	8.7
166.05093	30.1
167.05418	1.4
182.04619	1.0
194.04573	2.0
205.23465	0.8
210.04070	34.3
211.04454	1.6
221.10289	56.0
222.10703	2.4
229.77299	0.8
317.11456	0.8
335.08331	1.3
335.12585	9.2
335.17099	2.0
335.20627	9.7
336.13773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52418	0.5
55.01867	1.3
57.03436	1.3
59.01372	13.5
60.91307	0.6
69.03450	14.4
71.01377	13.0
73.02948	5.5
83.01384	3.5
85.02945	8.0
85.12813	0.6
87.00899	1.0
89.02437	1.9
95.01412	0.6
98.00069	0.8
99.00881	1.3
101.02436	16.5
101.21524	0.7
113.02442	100.0
114.02776	2.4
135.04524	0.9
141.25406	0.6
159.02995	1.5
161.04532	7.7
170.18663	0.6
221.10277	46.5
222.10663	1.4
335.20679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.3
56.84103	1.4
59.01379	77.1
59.14853	1.3
61.31834	1.3
69.07352	8.6
71.01382	50.2
72.99291	3.0
73.02962	3.0
80.46095	1.2
82.09016	1.2
83.01389	1.6
85.02960	8.4
89.02442	54.5
89.17003	1.2
90.59361	1.2
90.69344	1.2
93.03471	2.5
95.01393	2.5
98.22698	2.3
101.02442	22.6
111.08158	100.0
112.08498	3.3
113.02449	14.5
119.03493	21.2
131.03479	2.5
136.98557	5.5
137.02463	4.3
143.03500	3.8
154.99583	5.0
155.07138	85.8
156.07433	3.2
161.04559	4.4
179.05617	9.3
182.02162	1.8
197.04559	4.9
206.47025	1.3
317.11880	1.3
335.13354	4.6
335.16931	1.6
351.68192	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	335.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.17074	0.5
57.03440	1.2
58.99594	1.2
59.01377	12.0
69.03439	0.9
69.12897	0.9
69.13300	2.2
71.01376	9.8
72.99300	0.9
73.02947	6.0
74.02403	0.5
75.94430	0.5
83.01370	2.8
83.04997	1.1
85.02952	5.4
87.00858	2.1
89.02438	1.9
92.70238	0.5
93.03437	1.5
96.04537	1.4
97.02934	0.7
99.00862	1.1
101.02441	5.3
102.98606	3.2
108.04562	0.6
111.00883	1.1
111.04475	0.8
113.02442	4.8
113.49805	0.5
125.02455	1.9
127.11304	1.0
129.10364	0.5
129.44609	0.5
135.04512	1.5
135.12350	0.5
137.02449	0.5
151.07588	0.7
153.05568	1.0
155.10748	0.8
161.02475	2.6
161.04681	1.6
164.07149	3.4
173.04550	1.8
173.11813	32.1
174.12181	1.1
179.03540	0.7
182.08212	2.9
187.13213	0.9
205.03575	1.4
257.08127	1.7
258.08789	0.7
275.04123	1.4
292.15555	1.0
292.19196	0.8
293.05060	2.5
311.58463	0.5
317.16086	1.8
318.13358	1.5
318.17099	1.9
335.07089	2.7
335.17087	100.0
336.14423	16.0
336.17868	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2221
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
53.12151	0.2
59.01373	0.2
61.98814	0.1
64.89169	0.2
69.24928	0.6
74.29253	0.2
92.79006	0.2
117.37756	0.2
164.63898	0.2
170.88368	0.2
176.79234	0.2
179.03496	0.2
192.95738	0.2
215.30788	0.1
335.22244	100.0
336.22577	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	335.2226
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
87.35771	2.6
87.36353	3.1
97.50366	2.7
110.03751	6.9
136.17862	2.9
138.03229	8.8
144.71423	2.6
153.70000	2.7
166.02711	6.6
176.49075	2.7
192.38182	3.0
197.35880	2.4
307.22784	8.4
330.37827	2.7
335.22272	100.0
336.22592	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	336.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	34.7
61.01801	8.1
61.98832	100.0
63.39892	7.6
64.66306	7.5
69.37038	40.1
74.02549	8.0
79.95740	8.9
83.04203	7.8
83.77219	7.6
99.41605	8.9
113.51494	8.2
121.02947	12.0
122.03344	9.6
137.06398	10.2
191.05702	13.5
194.95557	9.7
218.83856	9.6
261.09692	24.8
276.12067	23.1
288.63657	8.5
337.07474	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.145
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropan-6beta-ol
Peak:m/z	Relative Intensity
55.01869	1.3
59.01376	1.4
61.98822	1.1
69.73328	1.2
69.73677	0.9
69.80342	0.5
73.02937	12.5
83.05030	1.3
85.02940	1.7
88.38784	0.4
93.03468	0.6
94.02980	0.9
96.04546	10.5
97.06593	2.4
99.04469	0.6
108.04552	3.4
109.06559	1.9
110.06123	0.7
121.06617	0.8
125.02429	3.5
125.88905	0.6
138.09238	3.9
139.03949	0.8
145.29980	0.5
153.05577	5.2
164.07147	17.5
170.08218	4.6
182.08202	12.9
191.05611	3.8
203.32971	0.5
235.08455	1.5
250.10785	0.8
292.15451	3.7
294.05417	0.5
318.13434	4.2
325.50272	0.5
336.14484	100.0
337.14816	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	336.1815
Annotation	Nemorensine
Peak:m/z	Relative Intensity
53.56467	0.6
57.03446	1.1
59.01381	38.7
60.09922	0.6
69.03443	1.5
71.01380	3.3
71.05010	1.2
71.07381	0.8
72.99294	0.8
73.02946	7.8
83.05037	3.3
85.02935	1.5
85.06589	2.0
95.05051	0.6
96.33186	0.6
98.06117	1.8
99.08167	0.9
100.07694	1.6
115.04018	1.1
116.55827	0.7
131.05060	1.0
131.51125	0.6
133.06586	1.7
141.40417	0.6
142.76306	0.6
149.98065	0.6
174.90742	0.7
196.13377	1.2
206.15401	0.9
208.13474	0.8
220.13382	1.7
222.14969	1.8
248.20273	4.6
249.59158	0.6
253.11151	0.7
274.18103	3.2
279.06665	1.0
292.19186	10.5
307.06039	1.1
318.17020	1.6
319.36389	0.6
336.18155	100.0
337.10760	1.0
337.18512	7.5
351.83817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16625	0.3
59.01375	1.3
62.86903	0.5
75.35443	0.4
94.50861	0.4
96.96001	3.5
114.54824	0.4
116.53865	0.4
119.93661	1.8
131.73480	0.4
134.96078	26.2
135.91493	0.4
135.96115	1.7
136.94002	79.6
137.94073	4.7
151.91553	0.6
151.92691	4.5
152.91754	33.4
167.90491	2.5
170.92839	0.5
176.91997	0.7
178.95049	100.0
179.95139	6.7
194.92802	54.0
195.93089	0.9
196.96130	1.1
210.90808	2.2
212.93872	3.5
216.89734	1.0
225.90385	2.7
226.40495	1.1
226.90297	1.1
234.90936	0.5
238.87834	1.0
247.87128	29.6
248.37164	15.6
248.87025	13.5
250.93842	2.1
252.91867	3.7
253.92140	0.5
255.86208	0.4
256.87659	29.8
257.87781	4.3
263.30090	0.4
274.88724	87.8
275.88791	12.9
276.86594	1.4
276.89172	0.6
287.84976	42.3
288.35007	25.6
288.84879	21.2
292.94977	8.3
293.95306	0.5
294.85098	1.3
294.92880	19.7
295.93018	1.1
307.83981	0.7
316.84494	1.0
336.83337	16.9
336.93954	80.8
337.37961	0.5
337.83429	2.9
337.94070	8.2
354.84375	23.1
355.84512	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
59.01376	41.2
66.91785	1.0
71.01378	12.7
73.02945	6.3
73.89444	1.1
78.73209	1.1
83.01385	2.5
85.02947	7.6
85.03386	1.2
87.00878	2.2
87.04510	1.7
89.02428	3.4
93.03448	10.0
95.01411	1.0
99.00888	2.1
101.02427	12.4
111.04543	1.8
113.02439	11.7
113.06056	1.5
119.03563	2.4
119.05021	37.5
120.05378	1.7
121.02934	5.8
123.04479	1.4
136.93983	1.3
137.02486	6.0
139.04007	100.0
140.04364	3.0
145.03549	2.2
155.03464	2.5
157.31647	1.0
161.04526	6.3
163.04002	65.7
164.04344	3.2
167.03502	3.3
171.01521	4.4
172.79970	1.1
173.04550	3.5
186.99225	1.4
191.05597	8.4
192.95834	2.0
194.92824	1.7
194.95523	3.2
204.95844	3.0
223.08220	26.9
224.08553	1.5
277.09055	1.0
295.13867	1.2
301.09299	23.3
302.09549	2.1
336.93942	1.4
337.03015	4.7
337.07932	2.0
349.24283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63522	1.0
58.11849	1.2
58.91733	1.1
59.01375	17.8
69.88065	2.1
69.88412	2.7
71.01363	3.9
73.02928	2.9
83.01393	1.1
85.02942	3.2
91.01884	1.1
93.03448	10.5
98.21910	1.6
99.00826	1.6
101.02435	4.7
102.99900	1.1
113.02431	3.7
115.03998	7.5
119.05018	23.0
121.02956	5.5
123.04530	2.6
137.02431	10.8
139.04005	100.0
140.04340	4.0
155.03447	1.0
161.04559	2.5
163.04001	44.5
164.04366	2.1
164.56479	1.2
167.03551	1.1
173.04527	2.5
191.05563	6.9
194.95403	1.1
222.89398	1.2
223.08218	7.5
249.17838	1.2
301.09280	22.3
302.09641	1.8
333.44452	1.2
337.02356	3.1
337.08911	1.8
337.44318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.075
Annotation	Inabenfide
Peak:m/z	Relative Intensity
58.74674	0.4
62.89428	0.6
71.59690	0.5
79.95734	41.6
93.03428	0.7
101.78282	0.5
106.04239	34.8
107.04562	1.0
120.02174	0.5
121.02935	0.9
129.57249	0.5
134.29936	0.4
136.05287	4.6
138.03191	0.8
151.04008	1.8
151.07639	8.5
209.06039	0.5
210.06836	2.4
227.07104	0.6
255.10149	0.7
257.11816	95.8
258.12155	8.0
322.05142	0.7
337.07492	100.0
338.07782	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	337.0751
Annotation	Inabenfide
Peak:m/z	Relative Intensity
55.01867	1.1
58.36717	0.6
65.55410	0.7
69.84900	0.8
69.85220	1.1
76.99586	0.7
79.95738	44.8
80.96516	4.6
95.05041	0.8
99.63609	0.6
102.18881	0.6
103.76334	0.6
106.04240	0.9
122.03734	1.2
132.96696	0.7
136.05301	31.5
137.02448	0.7
137.05583	1.2
138.03212	3.3
139.03999	1.7
151.04010	2.3
151.07643	1.7
167.03465	0.9
183.08148	1.6
198.10419	1.1
203.59373	0.6
215.24274	0.6
216.01007	2.7
241.08710	0.7
242.09491	1.6
251.79744	0.7
255.10284	1.9
257.11832	100.0
258.12158	9.3
273.11319	2.3
295.57181	0.7
337.07510	96.0
338.07800	8.3
342.92679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
58.70525	0.5
70.96931	0.5
79.75282	0.5
79.95737	41.4
80.96512	6.4
89.95383	0.6
95.05035	0.7
106.04219	1.1
122.03722	1.7
136.05304	33.0
137.02512	0.7
137.05621	0.9
138.03235	3.5
139.04018	1.1
142.24323	0.5
150.03224	0.6
151.03996	2.5
151.07629	1.6
183.08170	1.6
186.06763	0.6
197.09709	1.3
198.10449	0.7
213.12788	0.7
216.01010	1.8
240.07883	0.7
242.09447	1.1
255.10231	1.7
257.11835	98.8
258.12152	7.9
273.11328	3.1
337.07501	100.0
338.07880	9.5
341.88507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	100.0
70.81098	12.0
71.01375	10.7
85.02962	14.0
98.22524	9.3
111.00867	22.4
112.01662	91.1
113.02427	79.0
143.01996	12.1
157.01427	72.6
196.99326	13.4
223.08339	7.8
265.26263	8.4
337.07742	17.6
350.67606	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	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20115	0.6
57.03436	3.3
59.01381	2.0
62.14178	0.7
68.99812	3.2
70.76955	0.7
71.01373	2.8
72.00910	0.9
73.02968	0.9
81.66405	0.9
85.02950	5.9
87.00901	1.4
93.43741	0.6
94.91930	0.7
99.00874	5.9
101.02441	1.4
111.00883	2.0
113.02457	4.1
113.99586	15.6
114.05611	0.9
115.00378	6.3
122.17519	0.8
125.99183	0.7
127.00362	2.9
129.01941	2.2
157.01421	4.1
158.04562	12.4
161.08214	0.7
169.01340	1.4
171.72321	0.6
174.01683	16.2
175.02446	1.1
228.21887	0.7
272.92514	0.7
277.05621	18.3
278.05905	0.8
337.07742	100.0
338.08090	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
57.03447	0.6
59.01379	1.9
60.20550	0.3
68.99813	1.7
69.03432	0.5
71.01364	2.1
73.02943	1.4
75.00869	0.7
78.62619	0.4
79.23095	0.3
81.32452	0.3
83.01380	1.0
85.02944	4.4
87.00882	2.1
88.05696	0.3
89.02477	0.4
95.01382	0.7
99.00877	4.7
101.02438	1.5
108.03105	0.4
111.00883	1.9
113.02441	6.0
113.99580	15.9
115.00385	6.0
127.00357	2.1
127.66325	0.4
129.01987	1.9
130.08719	1.8
139.00314	0.4
141.01987	0.8
157.01436	4.2
162.22607	0.4
169.01436	1.2
174.01686	16.5
175.02406	1.1
188.31114	0.4
239.90935	0.4
270.32156	0.4
277.05643	18.4
278.05954	0.7
337.07739	100.0
338.08078	7.1
338.11838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
67.01887	0.7
69.03432	0.3
71.01379	0.7
73.02997	0.3
81.03463	0.3
85.02945	6.2
87.00869	2.0
89.53973	0.2
90.72018	0.3
90.95873	0.2
93.03455	5.0
98.21872	0.5
99.04550	0.3
109.02929	0.5
111.04555	1.2
116.92850	0.4
119.05030	1.6
120.28336	0.2
127.04028	1.3
145.02943	0.8
155.03505	0.3
163.04001	1.9
171.02994	0.3
173.04573	1.8
175.02739	2.4
176.03511	4.4
191.05603	100.0
192.05942	4.1
310.77887	0.2
324.39648	0.2
337.09274	2.4
338.08835	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01362	1.6
67.01868	0.5
67.07087	0.4
69.44516	1.5
71.01371	1.1
81.03419	0.8
85.02949	6.6
87.00867	1.5
93.03449	4.4
98.22604	0.7
109.02932	0.4
111.04510	1.6
115.02783	0.5
116.92848	0.9
119.04971	1.9
127.04031	1.5
145.02933	0.5
163.04037	1.8
173.04539	2.7
185.16075	0.4
191.05598	100.0
192.05943	4.3
337.09274	3.5
346.96771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.58451	0.5
53.77497	0.5
55.01874	0.7
55.63358	0.5
58.28367	0.5
58.52711	0.5
59.01374	2.0
60.68237	0.5
60.68594	0.5
69.36036	0.5
71.25461	0.5
73.02951	3.5
83.05032	1.1
84.57276	0.6
85.02952	1.6
86.25699	0.6
87.00869	1.0
93.03452	6.3
111.04520	2.8
112.01649	1.6
115.41027	0.5
118.87206	0.6
119.05023	49.3
120.05351	1.7
127.04025	4.5
138.50787	0.6
155.03473	2.7
163.04005	100.0
164.04361	5.3
173.04553	5.2
185.81671	0.6
191.05611	24.6
256.16888	0.6
280.15390	0.9
314.07788	0.5
336.18237	0.6
337.02725	0.9
337.09360	4.7
337.15146	0.9
337.18451	4.1
338.09769	0.8
338.19583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43510	0.8
57.03459	1.0
59.01378	12.3
60.99285	1.4
67.01897	7.9
69.03463	1.3
70.01240	0.9
70.01554	1.4
71.01385	5.5
73.02938	2.3
80.32494	0.9
81.03465	2.1
83.05026	2.3
84.43581	0.8
85.02963	6.2
87.00880	4.8
93.03461	49.2
94.03830	1.4
98.22593	1.0
99.04510	1.4
109.02889	1.2
111.04508	8.1
113.02437	1.0
119.05029	73.7
120.05399	2.9
121.06441	0.8
127.03995	1.7
137.02426	4.1
145.02962	1.4
155.03497	6.9
161.02444	1.2
163.04012	74.4
164.04282	4.2
171.02808	0.9
173.04552	100.0
174.04897	3.3
176.03529	1.7
191.05612	81.0
192.05969	2.9
222.14973	3.4
239.39249	0.9
276.19913	1.4
296.20624	1.0
302.17560	1.4
315.71289	0.8
320.18686	6.4
337.09247	11.3
338.08936	2.7
338.15628	1.6
338.19708	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.55934	0.2
51.17525	0.3
54.10862	0.3
57.03435	0.7
59.01371	1.9
60.99303	1.3
67.01890	3.9
69.03442	1.0
69.11755	1.5
71.01366	1.1
73.02950	0.5
81.03445	0.7
83.05016	0.7
85.02941	4.8
87.00875	5.3
90.96481	0.3
93.03454	22.1
99.00883	0.6
99.04533	0.7
109.02956	0.5
111.04515	3.2
113.02487	0.4
119.05028	7.5
120.05343	0.4
121.13947	0.3
127.04008	1.1
129.01952	0.7
144.96541	0.3
145.02983	1.5
148.20110	0.2
155.03455	0.8
161.02431	1.4
163.04005	8.2
164.04330	0.3
171.03026	0.3
173.04549	7.5
173.06006	0.6
174.04953	0.3
179.74170	0.3
191.05605	100.0
192.05949	3.1
192.30872	0.3
307.57080	0.4
318.83255	0.3
337.09253	4.1
338.09439	0.4
338.19537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.2
59.01379	1.7
60.99277	0.2
67.01891	0.5
68.38263	0.2
69.03429	0.2
69.11945	1.0
69.12347	0.4
70.09669	0.2
71.01368	1.0
73.02930	0.4
74.33354	0.2
83.05019	0.3
85.02945	7.9
86.03219	0.2
87.00862	2.0
90.86422	0.2
93.03459	5.1
95.87118	0.2
99.04506	0.3
99.92578	0.4
100.93330	0.4
109.02943	0.5
111.04510	1.1
113.02441	0.2
115.92097	0.2
116.92859	3.7
116.93684	0.2
117.03488	0.3
117.92860	0.2
119.05019	2.7
127.04005	1.9
137.02444	0.2
145.02963	0.8
155.03551	0.2
163.04027	2.1
163.41647	0.2
171.02942	0.5
173.04543	3.5
191.05606	100.0
192.05927	3.6
237.46916	0.2
250.46111	0.2
337.09268	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	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46268	0.4
57.09082	0.4
59.01366	0.4
62.64534	0.4
70.76862	0.7
73.91410	0.4
83.05010	0.9
85.02953	1.3
93.03464	3.5
95.33215	0.4
111.04488	2.3
112.01672	0.8
119.05025	55.0
119.18154	0.4
120.05375	2.2
127.04021	1.8
155.03534	2.5
163.04001	100.0
164.04326	4.9
165.14906	0.5
173.04570	3.9
181.04956	0.4
191.05611	10.3
199.87553	0.4
300.21573	0.5
337.09271	4.2
337.18625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1079
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
59.01388	0.7
86.54163	0.7
87.92365	0.7
93.03500	1.0
95.10693	0.8
98.22692	1.3
125.33876	0.7
145.03017	1.9
160.57906	0.7
160.62885	1.0
162.03314	1.6
177.05551	3.9
179.08672	0.8
191.05602	1.5
195.08208	1.1
205.06621	1.1
206.07426	1.7
207.08090	5.6
217.06569	0.9
218.07310	0.7
221.06244	1.1
222.06871	2.5
223.07629	4.8
233.06088	1.9
234.06871	2.7
235.04054	2.0
235.07611	13.5
237.05579	1.8
249.05740	0.8
250.06514	1.4
251.07098	12.9
261.05551	2.4
262.06412	1.4
263.07108	7.1
264.07553	1.3
266.09412	5.7
267.09866	0.9
278.05786	3.5
279.06595	81.3
280.06949	7.8
290.05856	1.9
291.06598	33.9
292.07285	9.5
293.08130	3.1
294.08948	9.1
295.09335	0.9
305.08246	4.1
306.05392	1.6
306.08929	28.2
307.06119	100.0
307.09421	6.9
308.06412	7.6
321.07672	7.4
322.08417	58.7
323.08679	5.2
336.22705	7.2
337.10788	69.1
337.22833	6.2
338.11145	7.2
338.17703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24065	0.8
54.88103	0.8
55.01880	1.7
57.03452	2.6
59.01376	20.6
62.40903	0.7
66.73671	0.8
67.01912	3.4
68.99847	0.8
69.03474	3.3
69.92884	1.8
69.93203	1.1
71.01375	19.8
72.99328	2.4
73.02943	7.5
75.00865	6.3
75.87151	0.8
83.01421	2.5
85.02947	17.6
87.00867	8.3
87.04510	44.2
89.02483	2.7
93.03458	21.7
93.03999	1.4
95.01417	2.6
97.02982	0.9
99.00872	5.8
101.02434	18.3
101.03078	1.3
109.03022	0.9
111.04543	3.7
113.02447	23.9
114.02824	1.0
116.92903	0.9
117.03680	0.7
119.05028	9.0
125.45167	0.7
127.04044	1.6
129.01994	1.4
134.04753	1.5
136.42625	0.8
155.03497	1.1
159.02974	1.8
161.02510	3.2
161.04526	8.6
163.03993	7.6
173.04529	6.3
175.02641	0.8
175.16214	0.9
178.95140	0.9
191.05600	100.0
192.06020	3.3
216.09029	3.1
223.08220	41.4
224.08667	1.3
249.06172	7.2
250.06787	1.2
277.00824	1.0
319.10260	1.0
337.11569	29.2
337.14899	2.2
338.12024	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	337.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38385	1.3
58.02966	4.6
59.01377	2.8
62.21253	1.3
69.44013	4.7
72.00908	4.2
85.02977	1.2
91.05547	4.5
93.03451	2.3
95.39671	1.3
96.00893	1.5
96.95971	1.5
98.06107	6.8
99.05637	20.4
101.06049	1.6
118.06650	2.0
123.05641	2.6
141.06694	16.7
147.04529	25.4
147.05978	4.0
151.49525	1.3
162.09271	2.0
164.07146	61.4
165.07524	2.5
172.04346	6.7
177.05623	2.1
189.07018	22.0
191.05591	6.2
191.18703	1.3
193.85957	1.3
195.08110	1.5
203.11873	4.4
207.08150	3.5
223.07579	2.8
234.06790	2.0
235.07613	6.7
237.05553	1.7
245.12988	3.8
250.06238	1.7
251.07146	7.8
251.12184	3.7
263.07217	4.7
266.09436	3.1
278.05658	1.8
279.06604	62.8
280.06924	3.4
291.06644	22.7
292.07199	6.5
293.08191	2.8
293.13330	5.4
294.08954	5.8
294.13379	1.6
295.71179	1.4
305.08096	2.8
306.08896	17.5
307.06140	68.1
307.09528	6.2
308.06372	6.4
321.07861	6.8
322.08405	42.1
323.08722	4.6
337.12231	100.0
338.12698	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	337.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50113	0.6
59.01379	100.0
63.21029	0.7
71.01380	1.6
71.18106	0.7
71.41333	0.8
73.02975	1.0
76.62387	0.7
85.02930	1.0
99.05672	2.0
101.02471	0.8
102.98612	1.6
113.02544	0.9
133.06622	0.9
135.04602	1.0
141.06732	1.5
147.04575	2.3
161.04576	1.0
163.03978	1.0
164.07173	5.5
189.07043	1.3
223.07709	0.8
235.07704	2.6
251.07190	1.8
263.07199	1.8
266.09473	1.0
279.06616	16.6
280.07095	1.5
291.06711	6.4
292.07364	2.4
294.09079	1.9
298.22470	0.7
306.08960	4.8
307.06113	19.1
307.09418	1.7
308.06555	1.5
321.07831	1.2
322.08435	12.6
323.08801	0.9
337.10822	15.3
338.11627	1.4
340.21780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43188	0.7
59.01379	100.0
60.01719	1.0
69.35529	3.2
71.01375	6.7
71.06955	0.8
71.13399	0.7
72.99300	1.5
73.02954	2.3
75.39154	0.8
85.02938	1.3
101.02452	1.3
102.98583	1.6
125.02425	0.8
131.05052	1.7
133.06586	3.0
139.07524	0.9
161.04575	0.9
161.16333	0.7
173.06387	1.0
203.05547	0.7
247.67848	0.9
261.26526	0.9
293.19571	1.9
297.76175	0.8
337.18500	17.7
338.18790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62368	0.6
52.15915	0.5
52.60021	0.5
58.56391	0.5
59.01379	100.0
60.01717	1.1
61.79250	0.5
69.55753	1.1
69.56142	1.0
81.00314	0.5
93.03469	0.8
98.21947	1.0
119.05060	1.2
133.71098	0.5
149.73640	0.6
158.02272	0.5
163.04092	0.9
173.04504	2.6
188.43738	0.5
244.33180	0.6
350.89999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0881
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.27434	0.3
55.83717	0.3
59.01365	1.1
59.04676	0.3
69.56500	0.5
69.56900	0.9
71.01368	0.6
73.02922	0.7
75.00851	0.4
85.02950	0.6
87.00874	0.3
89.02441	0.3
92.05049	3.1
101.02451	0.4
102.03494	1.4
118.02968	0.9
120.04552	2.5
132.04518	0.3
134.03674	0.3
146.02467	4.5
147.03270	2.8
148.04039	4.7
158.02443	0.4
158.06085	0.6
173.04512	0.3
174.01962	1.2
174.05515	0.3
175.02733	60.2
176.03511	100.0
177.03876	4.3
186.05580	1.2
188.03543	1.3
191.05634	0.7
192.05966	0.4
193.05014	0.3
207.04987	0.5
219.23494	0.3
222.14984	0.7
245.73685	0.3
258.07718	0.5
271.94406	0.3
276.19702	0.6
294.20599	0.4
295.58917	0.3
302.17365	0.3
320.18689	1.2
338.08789	59.0
338.19623	6.8
339.09085	4.1
339.20151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61610	60.9
63.10508	64.7
71.42312	67.1
72.94337	56.9
87.27779	58.1
131.72316	57.6
135.04506	100.0
154.88998	58.7
164.76321	63.8
180.83076	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	338.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.37144	0.4
59.01378	4.0
69.48929	1.2
71.01375	0.5
71.05015	0.7
73.02944	6.9
74.70806	0.4
78.47669	0.4
85.02962	1.1
87.04501	1.5
93.03485	0.5
96.04523	1.1
98.03729	3.9
110.06076	0.5
111.04527	1.0
112.46056	0.4
114.05576	0.9
115.04028	1.3
117.92859	0.5
120.99617	0.8
125.04874	0.5
126.05564	0.6
132.32121	0.4
134.04698	1.2
135.04510	0.4
168.10292	1.0
173.03352	0.7
176.03407	0.5
182.11810	1.1
191.05525	1.1
192.05949	0.8
196.13380	0.4
198.12599	0.4
216.08934	1.1
222.12949	0.8
222.14995	10.7
223.15334	0.6
232.13225	0.5
234.14983	0.6
250.14455	0.6
252.16017	1.3
258.18674	2.5
276.19714	7.1
277.19983	0.7
285.84686	0.5
292.19220	0.7
294.20731	1.2
302.17572	3.9
318.17133	3.6
320.15668	0.5
320.18634	22.0
321.18872	1.9
336.18140	1.5
338.19702	100.0
339.16052	0.9
339.20013	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
57.33699	0.4
69.48176	0.8
69.48549	0.9
71.05003	1.1
72.06390	0.4
72.95667	0.4
73.02937	6.5
73.46727	0.4
76.59354	0.4
77.85519	0.4
84.04918	0.4
85.02932	0.6
85.06612	0.4
87.04515	2.1
88.08412	0.4
96.04566	0.9
98.03727	4.4
110.06087	0.6
114.05624	0.6
115.04011	1.0
125.04906	0.6
130.08890	0.5
139.31918	0.4
151.07629	0.6
153.05705	0.4
164.07076	0.5
168.10292	0.8
182.11867	1.0
191.05609	0.7
192.05984	0.6
210.30103	0.4
222.14978	11.3
223.15392	0.9
232.20711	0.5
248.20317	0.6
258.18600	3.2
259.18948	0.4
274.18115	0.8
276.19641	9.8
277.19965	0.8
291.69058	0.5
292.19061	0.6
294.20798	1.3
302.17661	3.6
306.38644	0.5
316.28824	0.5
318.17126	3.4
320.18622	24.1
321.18930	2.7
336.18054	1.3
337.86111	0.5
338.19696	100.0
339.19986	10.7
364.17581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32060	20.4
60.03219	19.3
61.98825	83.1
66.95391	20.8
69.38507	100.0
74.62045	18.7
92.92773	24.2
98.22609	45.8
110.60992	20.8
116.01142	21.5
159.79622	20.9
162.00143	20.2
162.90968	23.4
183.01303	27.3
339.16309	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.30916	0.1
53.99225	0.1
59.01376	0.4
64.94431	0.1
67.74619	0.1
71.01353	0.2
77.03943	0.1
81.03452	0.5
89.03441	0.1
89.03967	1.8
93.03467	0.2
95.05036	0.2
96.95992	0.1
100.60294	0.1
104.02695	0.1
105.03461	3.3
107.01379	0.1
114.77185	0.1
121.02943	0.2
133.02954	8.4
134.03296	0.3
134.06110	0.1
135.04509	0.2
148.01653	0.2
149.02420	1.1
176.01208	0.5
177.01923	100.0
178.02266	5.0
191.05556	0.1
193.18520	0.1
207.14516	0.1
211.77504	0.1
237.07848	0.1
339.07193	2.0
340.07584	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	339.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32706	0.4
54.02602	0.3
56.10523	0.4
57.03438	0.3
59.01379	6.4
62.52438	0.3
69.03448	0.3
69.43623	1.6
71.01372	0.8
85.02930	0.6
93.03416	0.7
96.96023	1.5
101.02458	0.4
107.05022	0.6
111.14447	0.3
112.33262	0.3
113.02441	0.8
119.66100	0.3
134.03728	2.0
135.04521	100.0
136.04846	4.3
147.04462	0.3
169.11316	0.4
171.10185	2.0
176.08493	0.5
182.22816	0.3
191.05588	0.7
227.91353	0.3
309.07922	0.5
339.10886	0.8
339.14731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57773	0.8
52.16059	0.8
55.43739	1.0
59.01366	1.7
61.98811	3.6
63.26413	0.8
73.02952	6.5
75.53160	0.8
82.06625	2.7
84.08180	2.3
85.02954	0.9
86.76510	0.8
94.19794	0.9
97.06570	3.0
101.33049	0.9
112.04042	54.0
113.02473	2.0
113.04379	1.2
130.05095	14.3
130.08734	100.0
131.09064	1.9
138.12894	3.3
139.08733	1.3
141.76187	1.2
151.08752	1.5
156.06677	1.3
176.90820	0.8
178.48477	0.8
186.11348	1.0
191.05591	1.6
225.12309	1.5
229.58850	0.9
247.23650	1.0
251.17654	1.0
251.21303	7.2
277.00604	1.0
277.19290	2.9
279.06625	1.1
295.20230	36.7
296.20584	1.6
339.19217	47.7
340.19476	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.75072	0.2
63.86843	0.3
69.28643	0.2
69.69188	0.7
106.12216	0.2
106.89547	0.2
107.05001	0.5
113.03487	0.2
132.43739	0.3
147.08138	0.3
163.11279	100.0
164.11615	3.8
201.59532	0.2
242.62869	0.3
269.62494	0.2
339.23260	44.5
340.23596	6.5
345.64780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2538
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
69.16217	5.3
83.37743	0.9
87.91436	0.9
99.08152	2.2
113.09737	2.7
123.13425	0.9
129.09184	6.8
179.14403	2.2
181.15858	1.1
195.14005	1.4
197.15450	2.1
199.13326	2.2
209.15414	5.2
211.16956	2.5
213.15030	1.2
221.15475	4.0
225.14949	14.2
226.15508	1.3
227.16522	5.5
239.16498	20.5
321.24307	14.5
339.25372	100.0
340.25754	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	339.2539
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
58.42247	0.6
61.98821	1.4
70.84622	0.9
82.11903	0.6
89.23122	0.6
96.35768	0.6
96.96033	1.0
97.06612	0.7
113.09743	0.8
115.07642	1.2
127.07694	0.8
127.65077	0.7
128.08438	0.6
133.31779	0.8
137.47923	0.6
180.38934	0.7
195.17552	4.3
211.17039	2.0
213.79999	0.6
223.17059	9.5
224.17441	0.9
239.16487	1.2
241.18155	1.3
270.18323	1.0
293.24902	1.2
303.23471	1.0
321.24313	8.8
339.25375	100.0
340.25674	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	12.2
59.01371	2.9
61.98805	0.6
63.32506	0.3
66.03486	1.0
68.95610	0.4
69.78711	0.4
71.01365	1.2
72.04563	0.4
73.02953	1.3
74.02472	1.6
78.95905	0.9
81.02206	0.5
82.06610	2.3
83.05018	0.5
85.02951	0.4
87.05634	0.9
88.04028	0.8
89.02441	2.2
92.05053	0.5
93.03456	0.4
97.04080	3.7
99.00907	0.4
101.02448	0.6
102.98581	0.9
107.05010	0.5
112.04045	0.8
113.02450	0.8
114.05604	100.0
114.56590	0.4
115.05933	2.2
116.03552	2.1
119.03485	0.6
121.02957	1.2
122.09764	3.7
130.05087	1.0
130.08748	1.9
134.03717	0.6
135.04523	26.8
137.02444	0.5
140.07158	1.0
148.07654	0.8
149.02457	1.0
152.99564	0.7
153.10352	3.2
155.11888	5.0
161.09720	0.4
166.08727	19.0
167.09097	1.0
177.01962	1.0
179.03488	25.0
183.11375	9.1
209.12996	0.6
225.12439	11.1
226.12732	0.9
254.18694	8.9
296.19821	4.7
304.09174	0.4
304.13303	0.4
306.99384	0.4
340.18866	38.1
340.21967	1.6
341.10767	1.5
341.19232	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
59.01376	87.7
69.03448	40.2
69.54574	4.8
70.07227	1.3
71.01376	55.4
72.99323	2.1
73.02917	1.7
78.95907	6.3
83.01373	2.3
85.02937	22.8
86.35361	1.7
87.00873	5.7
87.04506	22.7
89.02441	64.8
95.01375	3.8
96.95992	2.4
96.96953	15.0
97.02946	5.7
98.85760	1.7
101.02436	25.0
107.05041	1.7
110.02505	1.6
113.02448	23.2
115.03998	23.2
119.03503	20.9
126.88605	1.4
127.02508	2.6
129.04042	1.7
130.08739	4.5
131.03465	3.7
131.08255	30.4
131.08990	1.2
135.04538	1.7
137.00781	1.3
143.01991	4.1
143.03510	3.3
145.03564	16.2
146.03668	2.0
149.04590	2.0
154.06236	2.5
155.02000	19.3
157.03574	2.0
159.02977	31.9
161.04524	7.8
169.07216	1.5
173.10420	21.0
179.05602	30.7
180.06596	2.4
180.99870	1.9
181.01202	10.8
181.07204	2.8
182.03117	3.1
187.04671	2.6
191.05655	2.0
195.05109	6.4
197.06670	38.2
198.06860	4.6
199.00961	54.2
199.08211	7.2
200.01123	4.7
201.00714	9.7
207.05093	1.8
211.04625	2.6
213.06160	22.3
214.06279	1.7
215.07774	20.7
216.07899	1.9
223.04665	5.2
225.06177	42.6
226.06326	3.5
235.04636	10.8
236.04906	1.6
242.02673	1.9
243.02011	1.9
243.07330	17.9
244.07480	2.1
251.03986	2.1
279.03592	10.7
281.12387	5.2
295.08884	1.5
297.04663	15.6
298.04849	1.6
323.02634	14.5
341.03641	100.0
341.10605	32.1
342.03650	13.1
342.10617	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.0
63.97567	1.0
69.03453	33.1
70.60593	1.6
71.01382	17.8
71.05012	5.0
74.99399	1.1
85.02946	14.7
87.00879	2.1
87.04510	25.3
89.02448	20.7
95.01375	1.5
97.02953	3.5
101.02440	7.4
107.05028	3.8
113.02450	8.8
115.04015	61.7
119.03510	4.9
125.00892	1.3
127.02516	1.9
141.01892	1.4
143.02037	3.1
143.03445	2.5
145.03561	13.9
155.00763	1.4
155.02016	19.0
155.99191	1.0
156.02092	1.7
157.03539	2.2
159.02991	88.8
160.03322	1.4
161.04590	2.5
169.55472	1.1
179.05623	9.9
180.99838	1.7
181.01193	33.2
181.07239	5.0
181.44955	1.0
187.04539	1.8
195.05171	3.9
197.06702	38.4
198.06856	2.9
199.00981	49.7
199.08224	8.2
200.01114	3.9
207.05136	2.6
208.56255	1.3
213.06189	18.6
214.06494	1.7
215.07733	15.7
223.04602	4.2
225.06157	35.5
226.06450	3.5
231.47324	1.1
235.04640	10.5
236.04884	1.2
241.05583	1.7
242.02858	1.2
243.07249	15.7
244.07469	1.7
251.04277	1.8
279.03561	14.8
288.08582	1.4
297.04642	17.7
298.04791	3.0
323.02475	13.0
324.02673	1.8
341.03635	100.0
341.10205	12.6
342.03754	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	15.8
59.01378	8.7
71.01370	3.7
74.99092	2.5
76.34752	0.3
80.24355	0.4
82.46099	0.4
83.03830	0.4
85.02967	0.4
89.02446	4.9
91.79597	0.3
93.03373	0.4
97.11288	0.3
101.02448	1.7
102.98593	100.0
103.98956	1.6
113.02459	1.5
119.03529	1.6
120.99647	3.2
121.02979	1.8
133.02943	0.6
134.03729	1.5
135.04521	0.6
143.18919	0.3
146.03705	0.3
149.02434	2.3
150.03221	3.0
161.04506	0.7
162.03223	3.3
163.00682	3.8
165.05630	1.7
166.23973	0.5
177.05559	2.7
179.05602	2.5
179.07027	0.6
239.07176	0.6
250.06274	0.5
282.08939	1.0
341.10638	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	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
55.00084	0.4
57.03479	1.0
59.01103	1.0
59.01376	16.9
60.90284	0.4
61.98872	1.6
71.01378	9.2
73.02949	2.5
83.01437	0.5
85.02943	2.4
87.00925	0.4
87.04570	0.8
89.02440	10.8
93.03497	1.1
95.01446	1.0
95.05038	0.5
101.02433	5.0
105.84989	0.4
106.04325	0.6
107.05023	3.7
110.06153	1.6
111.04543	0.7
113.02438	4.5
114.05622	3.7
116.92874	0.4
119.03502	2.9
119.05060	1.8
128.01851	0.6
131.03534	0.6
133.02977	1.9
134.03745	3.2
135.04523	100.0
136.04865	4.0
137.02477	1.8
137.06064	3.8
143.03502	1.2
143.07240	0.4
149.04579	0.6
161.02411	1.3
161.04518	1.4
163.03929	0.7
165.12837	0.5
167.03445	1.8
169.08691	4.4
177.01907	1.8
178.02354	0.9
179.03496	98.0
179.05452	3.3
180.03828	4.6
180.06575	2.0
209.11705	0.9
221.04475	0.6
224.27892	0.4
226.01785	0.5
251.05562	0.6
253.10742	0.8
266.13754	1.5
281.06308	0.9
281.09900	0.5
284.14816	1.4
341.04651	0.8
341.08325	14.5
342.08508	1.3
342.12054	0.6
342.19110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
56.17146	0.1
58.99590	0.2
59.01377	1.6
71.01383	0.5
85.47449	0.1
89.02463	0.7
91.05537	0.3
93.03465	0.6
94.49750	0.2
96.96021	0.4
99.82495	0.1
101.02451	0.3
102.98611	0.5
107.05032	2.1
109.13658	0.2
113.02452	0.3
118.98087	0.5
119.03524	0.2
122.06149	0.3
127.31519	0.2
132.04553	4.2
133.38004	0.1
134.03745	2.5
135.04523	100.0
136.04849	4.0
138.05650	0.2
143.03471	0.2
147.04559	0.3
149.06116	0.3
152.07143	0.8
168.25484	0.2
178.02649	0.2
179.03491	85.3
180.03841	3.6
191.05638	0.2
196.06161	0.2
218.98264	0.1
287.62991	0.2
294.69482	0.2
297.12570	0.3
339.02972	0.1
341.08664	15.7
341.16125	0.4
342.08942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44020	0.3
52.54843	0.3
55.70519	0.3
59.01378	18.6
64.04235	0.4
69.10526	2.6
71.01383	10.8
72.58022	0.3
72.99335	0.5
73.02943	0.6
78.95901	3.7
83.01407	0.4
85.02959	1.9
87.00886	0.9
89.02442	11.9
91.05537	0.4
93.03465	0.5
95.01375	0.6
97.03001	0.7
101.02437	5.7
101.24352	0.3
102.98584	0.9
107.05036	1.7
107.33945	0.3
113.02454	3.6
117.75275	0.4
119.03498	4.9
128.14783	0.3
131.05009	0.5
133.02957	0.5
133.06575	1.5
134.03741	2.7
135.04526	100.0
136.04839	4.2
141.49527	0.3
143.03500	1.3
152.99591	2.6
161.04526	1.7
161.05992	0.6
170.61722	0.4
179.03496	87.2
179.05479	3.9
179.07059	3.2
180.03856	3.7
185.02243	0.4
211.04291	0.5
225.11320	0.4
317.21298	0.4
330.66226	0.4
336.33063	0.4
341.11618	6.4
342.12564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81289	0.3
59.01391	2.2
59.85022	0.3
62.78231	0.3
66.37261	0.3
69.03425	0.4
69.07077	0.5
69.07481	1.7
71.01386	1.1
85.02957	0.6
89.02457	1.2
91.05563	0.4
93.03470	0.9
96.00968	0.5
96.96049	0.5
97.06584	0.3
101.02460	0.6
107.05030	2.6
113.02459	0.4
115.94867	0.3
118.98108	0.8
119.03535	0.5
134.03728	2.7
135.04532	100.0
136.04849	3.7
137.02333	0.3
152.67479	0.3
154.05135	0.5
164.04773	0.5
179.03497	91.0
180.03847	4.8
202.26794	0.3
225.42232	0.4
341.08542	3.5
342.36105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.74201	0.5
57.51326	0.3
59.01078	0.5
59.01378	9.3
60.98952	0.3
71.01385	3.2
73.02945	4.5
79.49241	0.3
82.95413	0.8
83.01385	0.9
85.02948	0.9
89.02451	1.4
93.03448	0.7
101.02451	2.3
107.05061	1.8
113.02428	2.2
114.05598	3.5
119.03475	0.7
119.05025	3.3
128.01738	0.5
134.03748	1.7
135.04521	100.0
136.04861	4.0
137.02428	1.6
161.04561	0.6
179.03488	86.7
180.03845	3.4
190.68369	0.3
244.73251	0.4
262.62732	0.4
281.10272	1.3
291.87213	0.4
326.80231	0.3
341.08728	17.2
342.09113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
52.71419	0.7
55.01888	0.8
56.98043	0.7
57.03443	0.8
58.28457	0.5
59.01378	57.9
59.28973	0.6
60.01706	0.6
63.17022	0.6
63.52623	0.5
63.88703	0.5
70.52621	0.7
71.01380	31.9
71.41889	0.6
72.01691	0.8
72.99274	0.8
73.02949	10.5
83.01376	2.9
85.02939	5.1
87.00861	1.4
89.02441	31.1
90.02777	0.6
93.03484	1.2
95.01399	2.2
101.02440	18.2
107.05029	2.7
113.02451	12.4
114.05622	4.4
117.97308	1.6
119.03515	12.4
119.05000	10.9
119.05790	0.8
121.02917	0.7
131.03464	1.9
133.02948	1.7
134.03752	2.6
135.04523	100.0
136.04828	3.8
137.06042	1.5
139.94374	0.6
143.03502	3.8
149.04524	1.1
161.04535	5.2
177.01936	1.4
179.03491	85.6
179.05568	12.0
180.03880	3.6
232.81345	0.6
281.10333	3.5
299.11359	1.6
341.08633	13.8
341.10986	10.3
342.08878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1017
Annotation	celebixanthone
Peak:m/z	Relative Intensity
50.54705	1.1
55.01873	1.2
55.24691	1.0
59.01379	60.3
65.03923	1.3
70.94646	1.3
71.01381	37.3
73.02949	3.0
80.22315	1.3
83.01376	1.3
85.02946	5.8
86.92602	1.1
87.00857	1.7
87.04523	1.7
89.02444	43.7
93.03468	2.3
95.01395	1.6
101.02444	17.8
113.02448	17.5
119.03507	16.6
121.02978	10.6
125.09732	2.5
131.03516	1.4
143.03516	4.7
143.43385	1.3
145.02948	1.7
149.06078	1.1
160.05324	2.5
161.04626	5.6
167.08710	1.6
170.03400	1.2
171.10181	1.8
179.05603	19.3
193.06621	2.7
195.04538	2.0
195.08118	3.5
196.05339	2.7
197.06100	2.2
201.11267	2.9
209.06082	3.9
210.06873	1.5
211.07655	8.2
213.11328	1.9
215.12856	4.0
221.06067	9.5
222.06790	2.4
223.07629	4.2
224.04813	4.2
225.05515	1.9
237.05569	11.8
238.06268	2.5
239.07140	27.6
239.12891	1.8
240.07594	1.9
247.03760	1.2
248.04771	3.2
249.05574	13.0
250.06302	7.2
251.03374	1.3
251.07152	1.9
252.04243	1.8
252.07780	1.4
265.05008	5.3
265.08755	1.4
265.14444	1.4
266.05719	7.1
267.06610	87.9
268.06967	6.9
275.00302	1.1
276.04434	1.2
277.04947	2.5
278.05939	1.4
281.08087	2.9
282.08997	25.5
283.06229	1.9
283.09311	3.0
293.04517	1.6
294.05402	12.8
295.05722	2.3
297.11279	24.7
298.11597	1.9
305.13916	5.1
305.17599	8.0
308.06949	1.3
309.04065	2.2
309.07678	39.7
309.89865	1.4
310.08066	2.5
311.05618	11.9
323.09439	3.0
323.18619	2.0
325.07178	1.5
326.07965	27.2
327.08237	3.4
341.10403	100.0
341.19406	9.7
342.10681	9.6
344.68854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
56.78159	0.6
57.03442	1.9
57.47699	0.6
58.00597	1.1
59.01377	100.0
60.01711	1.5
69.03432	0.9
69.23415	4.0
71.01382	60.5
72.01726	1.0
72.99307	1.3
73.02933	1.6
73.86284	0.6
83.01392	1.3
85.02950	8.0
87.00883	2.5
89.02442	69.1
95.01388	3.6
101.02436	26.4
102.02814	0.7
107.03495	0.8
113.02448	19.4
114.02723	0.8
119.03503	22.5
120.03905	0.7
131.03491	2.9
132.21231	0.7
143.03496	5.6
149.04549	1.9
161.04564	7.9
173.71741	0.8
179.05594	25.5
180.05988	0.7
263.43286	0.8
341.10849	34.6
342.11179	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01880	1.3
57.03447	0.9
58.00593	1.0
58.09168	0.6
59.01373	100.0
60.01687	0.6
60.99048	0.6
61.98846	1.0
63.90430	0.6
70.71748	1.0
71.01374	60.1
72.99321	0.7
73.02943	1.7
78.95883	0.6
83.01388	2.2
85.02943	7.2
87.00853	3.3
89.02436	74.7
90.02766	1.5
95.01398	3.2
96.61070	0.6
98.21970	0.6
100.57325	0.6
101.02435	29.0
108.76862	0.6
113.02439	24.8
114.02806	0.6
114.05601	1.1
119.03492	27.4
120.05663	0.7
125.02510	0.9
131.03499	3.7
133.02934	0.8
135.04521	3.1
143.03493	6.6
149.04559	1.9
153.01909	1.4
161.04535	8.2
177.01877	1.1
179.03624	1.7
179.05586	29.0
180.06050	0.6
341.10883	39.5
341.17841	1.4
342.11081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.65442	0.5
57.03433	1.3
58.00606	0.9
59.01377	100.0
60.01709	1.5
69.27653	2.6
71.01379	57.7
72.01691	0.9
72.99310	0.8
73.02967	1.4
83.01405	1.9
85.02943	9.4
87.00874	2.9
89.02441	79.0
90.02762	1.1
95.01399	3.3
97.19247	0.6
101.02438	24.5
113.02448	22.4
113.03244	0.9
116.97760	0.6
119.03498	26.9
120.03803	0.8
125.02435	0.8
131.03529	3.8
143.03491	7.3
149.04601	2.2
161.04562	8.4
179.05597	32.3
233.16612	0.6
281.09024	0.6
341.10876	40.5
342.11115	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03446	1.2
58.00589	1.1
59.01377	100.0
60.01705	1.2
69.20012	1.5
69.20410	2.9
71.01379	57.4
72.10696	0.7
72.99326	1.5
73.02941	1.1
75.35658	0.7
76.51830	0.7
81.62100	0.6
83.01411	1.7
85.02941	7.7
87.00872	3.0
89.02441	73.4
90.02811	0.9
95.01385	2.7
96.08741	0.7
101.02443	26.3
102.02821	0.8
113.02447	19.8
119.02653	1.1
119.03502	23.3
131.03517	2.2
143.03519	7.1
149.04510	2.0
161.04547	6.9
179.05605	27.9
180.05971	1.2
223.71051	0.8
229.71803	0.8
341.10852	33.9
342.11166	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67257	0.6
55.01876	1.2
57.03445	1.3
58.00590	1.4
59.01375	100.0
60.01712	1.1
69.03465	2.4
69.33203	2.8
71.01376	60.0
72.99314	1.4
73.02943	1.8
83.01369	1.8
85.02944	9.9
87.00867	3.7
87.04524	1.0
89.02440	78.4
95.01382	3.9
96.48444	0.5
97.02959	0.5
98.22594	1.1
101.02437	28.9
104.17574	0.5
107.03453	0.7
111.00932	0.6
113.02440	25.7
114.02811	0.9
115.04005	4.9
119.03493	28.6
120.03828	0.6
125.02422	0.7
131.03496	4.1
143.03485	7.6
145.06172	0.7
149.04546	3.2
159.03015	5.5
161.04549	9.4
173.34561	0.5
175.48364	0.5
179.05602	36.4
180.05939	0.7
181.01192	1.6
183.02687	0.8
197.06735	1.1
199.01030	1.6
201.00739	1.0
213.91267	0.5
215.07722	0.9
216.72545	0.5
225.06258	1.2
238.70720	0.5
271.76770	0.5
297.04602	0.9
304.04587	0.6
304.96817	0.5
318.47095	0.5
323.02591	0.9
341.03815	3.0
341.10831	48.5
342.11218	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	341.1089
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01852	1.6
56.26471	1.5
57.03428	1.7
58.46431	1.3
59.01379	100.0
61.98846	1.6
64.55415	1.3
70.64053	1.6
71.01381	59.5
72.29018	1.5
73.02954	8.4
83.01381	2.8
85.02953	10.0
87.00855	3.0
89.02445	70.6
90.02770	1.9
95.01398	3.8
101.02444	44.9
102.98579	1.8
113.02454	22.7
119.03497	22.8
121.02892	2.7
122.03744	40.7
125.02412	1.6
131.03481	6.2
137.06081	78.2
138.06439	2.8
143.03502	7.2
145.31850	1.5
149.04605	2.0
161.04567	10.3
179.05585	28.9
179.07121	1.7
221.06667	10.3
222.00340	1.3
227.47279	1.4
295.99707	1.7
341.03455	2.1
341.10876	29.8
341.19672	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	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03440	1.1
59.01377	100.0
60.01710	0.8
66.91983	0.7
69.03445	0.6
71.01380	44.6
73.02943	25.7
73.03360	1.0
83.01380	6.3
85.02948	10.5
87.00885	2.5
89.02441	38.2
93.03477	0.8
95.01405	2.8
97.02981	1.0
99.00869	1.3
101.02441	27.9
101.03092	1.4
107.05028	1.0
113.02448	21.3
114.05612	3.1
117.97294	0.9
119.03526	15.1
119.05018	25.4
121.02970	1.0
125.02435	1.1
131.03542	2.4
133.02983	1.6
134.03807	1.0
134.56274	0.7
135.04524	33.4
136.04860	1.1
136.33733	0.8
137.06105	1.9
143.03551	4.5
149.04611	1.6
161.04561	5.3
177.01974	1.4
179.03546	31.2
179.05653	13.8
180.03876	1.9
188.76045	0.6
191.05608	1.1
281.10291	9.9
299.11392	3.5
325.85870	0.6
341.11429	13.5
342.11288	0.9
354.08783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01875	1.7
55.67068	0.7
57.03447	0.9
59.01379	100.0
60.01691	0.7
69.03456	2.3
71.01384	31.6
72.99313	0.9
73.02946	84.9
74.03278	0.9
74.99119	0.8
79.53545	0.6
81.03459	1.3
83.01387	17.9
85.02952	5.2
87.00893	1.1
87.09943	0.6
89.02444	12.1
95.01424	0.8
96.96069	0.8
97.02965	2.5
99.00851	1.1
100.87359	0.7
101.02444	50.8
102.02814	1.0
103.04044	2.0
104.10422	0.8
107.05028	3.8
113.02455	10.6
118.98106	4.2
119.03542	5.0
119.05025	17.5
120.90363	0.7
121.77885	0.7
123.04541	3.8
125.02494	2.3
131.03531	2.8
132.04617	1.1
134.03751	1.9
135.04527	23.9
136.04843	1.6
137.05135	1.4
137.06120	3.3
138.05672	2.3
143.03542	4.1
149.04581	2.0
155.03557	1.5
161.04550	8.4
179.03503	11.4
179.05708	1.6
179.07216	2.1
241.14154	0.7
255.08780	2.1
297.13699	0.8
299.11462	2.0
341.08777	1.3
341.12515	10.8
342.12662	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	341.124
Annotation	(-)-Macrosphelide L
Peak:m/z	Relative Intensity
57.03434	4.9
57.51963	0.7
59.01376	10.7
65.08169	0.6
67.95648	0.7
69.16096	2.6
69.16505	1.6
71.01388	5.7
72.99282	0.7
73.02950	1.0
85.02953	8.1
89.02435	5.7
93.03472	1.1
95.05015	0.8
101.02458	5.6
103.04013	34.5
104.04365	1.1
107.01394	0.7
107.05030	1.3
108.02189	0.8
113.02452	2.4
119.03501	2.1
121.02934	3.2
122.03755	2.0
123.04525	89.6
124.04872	2.5
132.04572	1.3
134.03743	0.8
135.02956	0.8
135.04526	15.7
136.04912	0.8
139.03966	0.7
161.04601	1.3
167.03505	19.8
174.01601	0.9
175.07655	12.3
179.03508	7.3
179.05539	2.4
179.06949	0.9
184.88039	0.8
193.08711	10.3
194.09039	0.9
209.08182	1.1
211.09723	6.3
219.06732	1.3
237.07703	9.4
253.07213	2.3
255.08737	83.8
256.09036	4.2
341.12418	100.0
342.12766	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73003	0.9
55.01860	1.6
57.03430	1.7
59.01376	100.0
60.01705	1.0
69.03445	1.8
71.01376	45.2
72.99325	1.1
73.02943	53.4
77.57151	0.9
80.73315	0.8
81.03415	1.3
83.01392	11.0
83.05083	1.0
85.02950	13.6
85.44331	1.0
87.00880	1.4
89.01932	1.6
89.02441	20.5
93.03423	2.1
95.01388	3.4
95.05025	1.9
97.02930	1.4
98.21902	2.9
99.00869	2.0
101.02431	37.9
107.05023	2.0
111.04503	1.5
113.02444	29.2
114.05585	3.8
116.07181	1.0
118.98093	1.5
119.03563	5.6
119.05022	24.2
120.05354	1.1
125.02448	2.4
131.03471	3.2
135.04506	6.9
137.06029	1.2
142.05118	1.5
143.03514	3.5
149.04570	2.6
161.04553	8.1
164.04773	5.1
165.12827	1.6
179.03534	3.4
179.05595	4.7
179.07126	15.8
184.09215	1.0
189.32224	1.0
197.04437	2.1
235.09747	1.0
253.10811	1.2
281.10324	14.4
282.10547	1.2
299.11307	5.5
301.52875	0.9
341.11328	3.2
358.36456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20570	0.6
55.01878	1.5
57.03451	1.6
58.00605	0.8
59.01378	100.0
60.01708	1.1
69.41039	2.6
71.01381	45.0
73.02946	27.1
83.01391	6.5
84.00832	0.6
85.02950	10.8
85.03405	1.0
87.00887	1.4
89.02444	38.5
90.02794	0.9
90.36084	0.7
95.01414	3.7
98.22697	0.7
99.00875	0.8
101.02444	30.5
102.02759	0.7
107.05051	1.0
113.02457	22.0
114.05640	2.0
116.10323	0.8
117.97313	1.7
119.03534	14.4
119.05021	25.7
125.02473	1.2
131.03487	3.4
133.02919	1.2
134.03764	0.9
135.03502	1.1
135.04523	19.0
136.04892	1.0
137.06149	2.0
143.03506	3.8
149.02457	0.6
149.04556	1.2
155.03528	0.9
161.02406	0.8
161.04541	5.5
162.19859	0.7
177.02051	1.0
179.03545	16.5
179.05644	12.7
180.03925	0.9
201.43280	0.8
281.10342	9.0
299.11359	4.2
341.05057	0.9
341.11157	13.7
350.09671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57722	0.8
56.03318	0.7
57.03454	1.0
58.00610	0.9
58.99591	0.7
59.01379	100.0
62.80698	0.7
69.03442	1.2
69.57883	3.0
71.01067	0.5
71.01382	48.3
73.02948	50.6
74.03301	0.9
83.01385	11.6
85.02959	5.9
87.00903	2.2
89.02445	45.9
95.01408	2.8
97.02980	1.0
97.18931	0.7
99.00884	1.4
100.64413	0.7
101.02444	39.4
102.98606	5.0
107.05025	1.5
107.16554	0.7
113.02454	16.4
119.03510	17.3
119.05018	11.8
121.02956	1.2
125.02452	1.8
130.08788	3.2
131.03505	4.2
135.04538	2.1
137.06100	2.0
143.03506	4.7
149.04599	3.3
155.03546	1.7
161.04547	9.4
164.04805	23.5
164.06146	1.5
176.04141	0.7
179.03712	1.3
179.05664	17.1
179.07204	18.4
185.16763	1.2
280.93509	0.7
293.22382	0.8
299.11453	1.2
341.10757	21.1
342.11469	1.6
342.24146	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	341.1392
Annotation	Brosimacutin C
Peak:m/z	Relative Intensity
59.01380	14.4
61.98825	3.1
66.56535	2.7
69.44846	2.8
70.69459	4.5
71.01373	5.7
80.54900	2.8
89.02451	6.7
101.98934	2.7
113.02426	3.3
119.05023	96.5
120.05296	4.7
159.08145	41.0
163.03996	42.9
177.09209	29.3
179.05560	3.0
183.94086	2.7
199.98669	3.9
203.05324	4.9
203.07138	67.5
204.07498	6.0
213.51907	2.7
221.08180	100.0
222.08427	6.7
257.05447	2.5
283.09775	30.5
323.12811	62.1
324.13104	5.4
341.10757	3.5
341.13953	26.7
341.23108	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	341.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	70.2
59.18730	9.0
61.98831	14.4
70.13629	9.2
70.39796	15.0
70.40108	11.2
71.01380	100.0
89.02434	44.7
97.02960	15.4
101.02453	15.7
109.06586	67.8
110.03770	11.6
113.02442	15.6
119.03490	21.6
163.11295	42.7
168.10268	9.2
179.05595	23.2
181.12283	18.6
199.09760	14.6
207.10236	78.4
341.10840	28.9
341.26865	26.0
354.56757	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	341.1971
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
57.03453	8.7
58.00583	2.0
59.01378	61.7
59.53336	1.3
65.27293	1.6
67.01894	24.6
69.03453	4.1
70.64257	3.3
71.01384	41.3
71.05015	5.9
73.02935	5.0
80.02686	2.1
81.03439	8.3
81.07135	1.3
83.01372	3.2
83.05035	10.1
84.02150	6.4
85.02949	7.4
87.00846	2.1
87.04546	2.0
89.02446	44.8
93.03471	3.4
95.01405	2.9
95.05016	11.7
97.06608	3.9
98.03734	5.0
99.08186	2.4
101.02452	16.8
102.02824	1.3
109.02943	5.1
109.06592	32.3
110.03748	2.1
111.04521	2.7
112.05286	1.9
113.02445	13.6
113.06091	9.6
117.03470	4.0
119.03506	18.5
121.02965	9.0
121.06592	2.3
122.03778	2.7
123.04520	4.0
123.08184	8.1
123.13009	1.5
125.06151	2.1
125.09731	27.6
127.07651	14.1
127.11282	12.1
131.03462	1.9
133.02968	5.3
133.07991	1.4
135.04494	1.3
135.08176	3.5
136.01674	11.8
137.02400	2.0
137.09760	2.6
139.61613	1.3
141.09180	3.5
143.03499	3.5
151.03983	12.2
151.07701	2.1
151.11250	3.1
153.09206	4.0
155.10765	6.7
161.02463	2.6
161.04543	5.6
163.11324	2.0
165.09221	4.9
165.12872	2.3
167.10738	2.0
169.12376	1.7
171.10286	16.3
179.03528	5.4
179.05605	22.1
181.12294	1.4
185.11815	4.1
187.03914	2.4
189.05571	16.0
195.10225	4.7
197.11809	2.4
199.09749	4.8
199.13393	1.5
201.11328	85.2
202.11723	4.4
209.11806	35.8
209.13689	2.2
210.12212	2.2
213.11331	53.9
214.11717	2.6
225.11436	3.5
227.12918	6.8
233.11829	1.7
235.13393	3.1
251.12892	28.1
253.14397	3.2
254.09464	5.0
265.14441	4.2
269.11801	1.6
282.09021	1.5
287.16495	21.0
305.17578	20.0
306.17868	3.9
311.09229	1.9
323.18655	40.6
324.19049	4.7
341.10849	26.7
341.19659	100.0
342.10855	2.1
342.20102	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.7
67.01868	0.6
69.03436	1.7
70.37598	1.1
71.01375	11.0
71.05040	1.0
83.05035	1.1
84.02171	11.8
84.08085	0.5
87.04507	0.8
89.02446	12.9
95.05044	0.9
97.02955	2.9
97.06584	6.2
99.04520	2.7
101.02454	5.0
113.02458	3.9
119.03509	4.6
125.09725	3.0
127.11276	0.7
133.02882	0.6
135.08182	0.6
136.05296	0.7
137.09692	1.1
143.03470	0.9
153.09216	0.6
159.00694	0.6
161.04573	1.3
171.10258	18.6
177.12852	0.9
179.05618	6.2
181.85170	0.7
183.13914	7.3
184.01013	1.1
193.12360	9.1
199.98776	1.2
201.11273	1.5
209.11787	1.6
211.13416	6.0
221.11919	1.0
223.16977	1.8
225.14963	11.1
239.13062	0.7
243.15956	5.9
260.77530	0.6
291.19717	2.6
300.73535	0.7
323.18552	0.7
323.22256	1.1
341.10803	9.3
341.23315	100.0
342.23630	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	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	11.3
59.28122	4.4
61.98826	5.4
67.62857	4.2
71.01377	8.2
77.84892	4.3
84.02186	5.3
85.41004	3.9
89.02440	9.1
97.06608	9.7
107.53790	4.2
119.03473	4.7
144.72998	4.8
171.10271	6.8
171.50142	4.4
184.00955	8.2
193.12299	12.3
211.13402	5.7
225.14934	20.5
243.15919	7.8
252.56152	4.7
341.23309	100.0
342.23447	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2693
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01377	6.8
70.43526	2.6
71.01374	3.1
79.12440	1.2
83.72853	1.2
89.02450	4.4
102.98592	1.2
110.16107	1.1
127.32624	1.3
279.26935	61.1
280.27252	5.4
323.25882	21.5
324.25934	1.4
338.37521	1.2
340.69952	1.3
341.10840	2.7
341.26953	100.0
342.27335	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	341.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50667	21.9
54.95223	18.6
59.01365	100.0
63.78993	22.1
65.60672	21.0
71.01380	65.6
89.02425	85.1
101.02414	33.0
101.55694	19.6
112.41324	21.3
113.02404	26.9
179.05602	31.0
305.67670	27.0
313.23917	19.8
340.69901	21.5
341.10794	37.0
341.18588	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	43.5
60.01694	1.2
61.98825	9.1
64.96571	0.8
67.43068	0.9
69.78204	2.8
71.01379	4.8
73.02961	1.0
80.35285	0.8
89.02441	3.7
90.02759	1.3
98.21933	1.9
101.02489	1.3
113.02440	1.9
114.02851	0.8
119.03508	1.8
119.05019	1.2
121.02953	100.0
128.01822	1.5
135.04532	3.1
136.04872	3.5
137.06093	4.0
139.03993	3.5
143.03481	1.1
151.26596	0.8
169.08798	1.3
179.03423	2.0
180.03798	2.9
180.06639	3.6
181.05083	1.0
181.43571	0.8
197.48431	0.9
198.31538	1.0
341.99557	1.6
342.11661	1.4
342.99042	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	342.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13748	0.5
52.27230	0.6
58.02975	13.4
59.01375	2.7
66.03487	0.9
70.69430	0.5
70.96034	0.9
71.01371	1.2
73.02970	0.7
80.72146	0.5
82.06609	3.2
83.05038	0.9
84.04529	0.6
84.22714	0.5
87.05637	16.0
88.04079	0.6
89.02431	0.8
93.03531	0.5
97.04070	1.4
100.07710	0.5
100.48374	0.5
102.59219	0.6
102.98563	0.6
112.04037	1.5
114.05603	1.9
116.07173	93.3
117.07513	1.9
121.02934	0.7
122.09748	2.1
128.91678	0.5
129.06717	4.1
129.10347	0.6
130.08748	2.8
135.04491	0.6
137.02443	0.8
140.07143	0.8
140.10805	1.0
143.11882	0.7
153.10341	2.1
155.11855	3.7
157.13493	1.3
166.06412	1.2
166.08723	16.8
167.08984	1.0
168.13954	3.0
181.05052	1.3
182.13049	0.6
183.11371	3.7
185.16582	18.5
186.17007	0.9
193.09853	0.7
195.15031	0.8
200.14108	0.6
210.00464	3.8
211.14470	1.2
222.06662	0.5
225.12437	6.3
229.15532	4.4
239.07025	0.6
240.07721	0.8
250.05922	0.7
251.06815	0.5
253.99529	1.3
256.20285	37.2
257.20639	3.2
268.06989	2.8
280.20529	0.6
283.09442	1.3
298.11627	0.9
298.21420	2.6
300.19073	0.7
310.07941	1.8
327.08133	0.9
342.11502	4.3
342.20309	100.0
343.11896	0.7
343.20676	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	342.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09104	3.3
51.33459	2.8
52.53012	2.5
58.37307	3.0
59.01396	3.1
60.25753	3.0
60.55868	2.4
61.98826	3.0
62.71968	2.6
62.74433	2.9
69.13266	3.2
70.99860	3.4
71.00226	3.2
77.50037	2.8
120.88766	2.8
138.42928	3.1
175.68240	3.4
251.77208	3.2
262.46765	3.3
277.21783	3.8
342.20471	100.0
343.20963	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	342.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98300	0.8
59.01380	4.2
69.30057	4.4
71.01369	3.2
73.02934	1.7
82.06622	2.0
87.00855	0.9
89.02430	1.6
101.02439	1.3
114.05596	1.9
114.09208	1.0
115.08754	4.7
116.07163	4.8
119.05016	2.6
121.02962	2.2
125.07217	1.1
129.10326	7.6
130.08733	88.5
131.09102	3.3
138.95039	0.8
140.07175	1.1
151.00380	1.5
163.00365	1.2
166.08763	1.6
181.13498	3.1
183.15022	5.7
185.16594	19.4
191.05600	1.1
199.18159	3.2
207.53539	0.7
211.14519	11.7
234.20381	0.8
298.24976	14.9
299.25443	1.2
324.18176	1.1
342.23950	100.0
343.08316	6.4
343.15033	1.3
343.21408	0.8
343.24344	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	342.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98300	0.8
59.01380	4.2
69.30057	4.4
71.01369	3.2
73.02934	1.7
82.06622	2.0
87.00855	0.9
89.02430	1.6
101.02439	1.3
114.05596	1.9
114.09208	1.0
115.08754	4.7
116.07163	4.8
119.05016	2.6
121.02962	2.2
125.07217	1.1
129.10326	7.6
130.08733	88.5
131.09102	3.3
138.95039	0.8
140.07175	1.1
151.00380	1.5
163.00365	1.2
166.08763	1.6
181.13498	3.1
183.15022	5.7
185.16594	19.4
191.05600	1.1
199.18159	3.2
207.53539	0.7
211.14519	11.7
234.20381	0.8
298.24976	14.9
299.25443	1.2
324.18176	1.1
342.23950	100.0
343.08316	6.4
343.15033	1.3
343.21408	0.8
343.24344	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	82.3
60.01715	0.7
66.73032	0.2
69.66023	0.2
69.66367	0.7
98.21901	0.3
107.53067	0.2
107.70834	0.2
113.04619	0.4
115.02554	0.2
157.03561	7.4
158.03680	0.4
159.01482	2.0
201.02545	100.0
202.02705	8.3
256.24722	0.2
343.03726	3.2
344.03674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15717	0.8
59.01377	4.9
69.03455	7.3
69.25498	3.4
71.01373	3.0
71.05012	3.8
72.99310	1.1
82.80740	0.9
83.05020	1.3
85.02933	4.5
87.04516	10.0
89.02449	2.7
97.02966	2.3
98.21831	1.4
99.04527	12.1
101.02430	1.5
113.02427	1.5
114.98859	2.4
115.04015	39.6
116.04375	1.0
117.05600	1.0
127.02488	1.4
129.04152	1.2
137.02339	1.0
139.02521	2.5
139.04019	1.8
143.02182	2.0
143.03502	51.6
144.03813	1.7
145.03577	3.6
147.03343	2.7
155.01984	4.6
157.01746	1.5
157.03540	1.8
159.02995	44.0
160.03316	2.0
161.04568	40.6
162.04959	1.5
169.07219	1.9
171.08669	1.0
179.05598	2.8
180.99678	1.7
181.01196	22.0
181.07262	4.8
183.01477	2.2
183.02821	2.6
185.03024	1.6
192.05942	0.8
195.05115	2.9
197.06702	26.1
198.06978	3.1
199.00993	10.1
199.06462	4.9
199.08223	1.4
200.01239	1.2
201.00798	6.7
201.02563	1.5
201.08118	1.5
207.03186	1.3
207.05121	21.4
208.05365	2.7
209.06686	6.0
215.05881	2.4
217.07587	2.3
219.05110	1.2
225.04376	1.1
225.06203	7.5
226.06349	1.6
227.05847	5.7
235.04594	6.6
237.06279	3.8
245.07057	1.9
253.05687	41.1
254.05986	5.7
271.04047	1.5
271.06714	7.0
281.05276	2.0
282.34933	1.0
297.02820	1.3
299.04605	2.5
307.03018	3.1
325.04163	100.0
326.04370	11.2
343.03070	20.2
343.06491	4.8
343.10547	1.4
343.12372	1.3
344.03876	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	343.0821
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
52.53335	0.7
59.01384	1.2
69.74917	1.7
69.75314	1.5
83.01382	70.3
84.01752	1.2
140.34706	1.0
145.06635	1.5
168.56734	1.1
187.07713	1.1
189.05548	4.6
195.55711	0.8
203.07187	2.1
212.23216	0.9
213.05603	1.3
215.03526	6.1
215.07202	0.8
229.05057	4.8
231.06602	41.0
232.07031	2.2
241.05132	1.5
255.06583	3.2
257.04581	5.4
257.08105	1.2
259.06097	37.2
260.06381	2.2
269.04575	2.6
285.04224	1.9
286.04730	3.0
299.09314	5.8
300.06436	1.1
300.09811	0.9
301.07050	4.1
313.03525	34.7
314.03851	2.7
315.08878	1.8
328.01746	1.8
328.05869	77.3
329.06140	7.5
343.08194	100.0
344.08524	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	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01856	1.0
57.03438	1.2
58.00593	0.9
59.01379	68.1
60.01709	0.6
68.66003	0.6
69.03434	0.6
70.28262	0.6
71.01382	30.2
72.99299	1.4
73.02957	4.2
79.05498	0.9
83.01395	2.5
85.02946	8.0
87.00862	1.0
89.02444	26.7
91.27528	0.6
92.02689	1.7
93.03458	26.6
94.03780	0.8
95.01379	2.1
95.05031	0.6
97.06598	1.4
99.00874	0.8
99.92572	0.6
100.93359	0.7
101.01785	1.2
101.02445	19.7
107.05013	0.6
113.02453	11.6
115.04030	0.8
115.92033	1.2
116.07178	0.7
116.92861	1.9
119.03506	13.2
119.04993	2.1
121.02975	2.1
122.03707	1.1
130.08742	0.9
131.03517	1.4
135.04547	3.2
136.01656	2.4
137.02446	64.0
137.06065	12.3
138.01897	0.8
138.02806	2.1
139.07654	1.3
141.05533	0.9
143.03506	1.2
149.04541	0.9
161.04587	1.8
162.49718	0.6
163.03992	5.9
179.03471	1.6
179.05621	3.3
181.03625	1.3
181.05083	17.0
181.08698	0.7
223.06136	1.9
239.12938	2.3
281.06635	0.7
283.08481	0.8
283.11929	0.7
343.10318	100.0
343.95270	1.0
344.10623	8.1
355.97339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08257	0.3
59.01368	1.5
59.78807	0.4
62.41505	0.4
66.16823	0.4
71.01388	0.5
73.02915	0.6
93.03453	0.4
99.77306	0.4
100.93301	0.4
101.02448	0.7
102.98579	0.8
111.83874	0.4
113.31870	0.4
113.42869	0.4
115.04073	0.4
115.77422	0.4
118.28223	0.3
119.05027	1.1
121.02969	1.2
121.96964	0.4
122.03729	7.2
124.01678	1.2
135.04555	3.5
136.01701	2.2
137.06084	100.0
138.06424	4.3
163.04008	32.5
164.04387	1.4
177.01979	0.4
179.03523	0.7
180.79555	0.4
181.05063	92.0
182.05389	3.5
264.78360	0.4
300.67010	0.4
309.14511	0.5
326.17111	0.5
343.10333	49.4
344.10657	4.5
344.18491	1.0
344.22327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48277	0.3
59.01380	17.5
60.01708	0.5
61.20927	0.3
61.98828	1.3
68.83743	0.3
69.36412	1.4
70.10446	0.3
71.01375	0.9
89.02433	1.0
92.05048	0.7
93.03461	0.6
93.45807	0.4
101.02428	0.8
113.02491	0.7
116.07175	0.4
116.92881	0.4
119.05000	0.4
121.02957	100.0
122.03295	3.4
135.04491	0.4
136.03981	0.4
139.04004	1.1
180.06653	0.5
181.05107	1.0
181.06950	0.8
290.16135	0.4
291.07184	0.8
300.11029	1.0
342.99152	0.6
343.10141	0.7
343.19458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
58.99605	1.4
59.01379	15.4
71.01369	2.9
79.05517	1.3
81.03455	0.8
85.02925	0.7
86.99102	0.8
89.02445	1.9
93.03458	2.3
95.05043	0.8
96.04557	0.6
97.06580	1.2
99.04488	0.6
100.93353	0.7
101.02427	1.9
107.05032	0.8
109.02961	4.1
109.06569	2.4
110.06121	2.3
113.02467	0.9
116.06345	1.0
116.07175	19.6
118.98124	0.6
119.05025	3.2
121.02949	4.7
122.06134	6.1
123.04486	0.5
123.37737	0.5
128.01778	0.8
132.04614	0.5
135.04503	2.6
137.06081	18.8
138.03218	1.1
138.06436	1.2
139.03996	0.6
141.05553	0.9
141.10274	0.8
142.05104	1.6
158.06430	2.4
161.33411	0.6
165.01834	0.9
166.02702	29.1
167.03181	1.0
178.12286	0.6
181.05058	100.0
182.05402	4.1
183.79659	0.5
184.81929	0.6
185.09352	2.1
217.02896	0.5
221.12958	3.3
225.03398	1.9
239.12834	4.0
255.11465	1.4
265.11896	1.2
283.11810	0.9
299.10690	4.9
307.13785	0.7
325.08768	1.3
343.09915	31.8
344.10062	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01378	19.3
61.98842	2.0
67.02998	4.5
68.02534	3.4
70.51918	2.1
71.01383	6.2
85.02962	2.1
89.02431	3.8
92.05059	41.9
93.03431	3.8
93.05389	1.6
94.04114	1.6
95.06125	2.2
96.96001	2.0
100.93337	1.5
101.02447	3.0
106.04117	4.7
107.02505	1.3
111.03138	13.5
113.02443	2.3
115.92091	2.2
116.07198	3.0
116.92827	2.7
119.05045	2.6
120.04539	2.4
121.02954	14.3
123.00823	1.8
125.04673	1.5
135.04521	2.3
136.04034	36.2
137.04254	1.7
137.06137	2.3
139.04012	55.0
139.58377	1.3
148.04039	21.6
157.07724	7.8
163.06238	11.1
165.01932	4.7
168.05269	1.7
180.03957	1.7
180.06670	2.6
181.05048	8.3
181.06674	2.5
214.09962	1.3
258.08798	33.7
259.09137	2.7
273.09879	2.2
300.11014	100.0
301.11588	7.2
322.17413	1.2
328.58618	1.3
342.99030	3.4
343.10342	14.6
343.95322	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	343.1185
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
59.01366	6.7
61.98813	1.9
64.63735	2.0
65.14696	2.2
65.20827	2.2
68.38602	2.4
69.07811	4.9
69.08232	9.6
70.74245	1.8
73.15006	2.3
82.00616	3.7
82.11507	2.4
88.13633	3.3
92.02675	42.4
95.01382	23.1
108.02179	17.1
121.03001	2.8
136.01657	100.0
161.94598	2.6
171.10234	14.4
173.02509	2.9
173.05997	3.6
204.95709	2.7
215.71135	2.7
223.85350	2.5
246.05350	12.1
246.08310	2.3
289.18051	2.9
299.12762	8.9
343.11810	34.1
343.24908	20.6
344.12106	4.1
369.31049	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15607	0.3
59.01379	100.0
60.01702	0.7
69.51736	1.3
71.01381	4.0
73.02957	0.3
85.02966	0.8
87.00853	0.3
89.02437	4.7
97.02973	0.5
98.21866	0.7
101.02447	1.7
103.59434	0.3
112.99419	0.3
113.02466	1.8
114.07389	0.4
118.98069	0.6
119.03506	1.9
120.99709	0.3
121.03037	0.4
130.08728	0.4
135.04529	1.3
136.04881	0.4
137.05086	0.5
163.04068	0.4
179.03548	1.5
179.05675	1.1
180.03848	0.5
181.03853	0.5
181.05241	0.5
182.04649	0.5
186.64909	0.4
343.10535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69147	0.5
59.01378	100.0
60.01724	1.0
71.01390	4.2
73.02951	0.7
77.89701	0.7
88.02129	0.6
89.02452	4.7
99.92614	0.6
101.02448	1.6
113.02461	1.6
119.03528	2.4
135.04588	0.7
147.03328	0.6
161.04565	0.6
169.15984	0.6
175.02740	3.0
179.05832	0.7
244.61296	0.7
255.04243	1.0
256.04996	1.6
271.07233	9.0
279.19284	0.6
283.07449	1.4
299.10504	0.6
340.52701	0.6
343.09412	8.9
343.13641	1.2
343.21271	1.1
355.77325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24482	27.1
59.01377	51.6
65.52670	20.2
70.84160	31.0
83.04999	25.6
86.82378	21.8
121.02914	27.1
164.09792	24.1
194.53091	22.9
289.18033	35.6
332.04584	24.3
343.28436	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	343.1719
Annotation	alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene
Peak:m/z	Relative Intensity
59.01375	5.1
62.57045	0.4
69.03453	3.5
69.42744	0.9
69.43142	1.0
71.01377	1.4
72.00906	1.0
73.73130	0.4
74.99346	0.5
77.79361	0.4
79.69118	0.4
85.02940	1.5
87.00878	2.0
87.04508	2.6
89.02404	0.7
95.32692	0.4
99.00877	0.8
101.02418	0.5
103.92020	0.7
113.02433	1.1
115.04006	1.6
117.00436	0.5
121.02987	0.7
128.07233	0.7
130.08731	100.0
131.03488	1.6
131.08224	4.6
131.09097	2.9
132.08658	2.3
147.03282	1.2
150.04221	0.7
157.01718	0.8
159.02966	3.0
173.10393	3.0
174.10773	1.9
175.02472	0.6
180.06668	0.8
188.07832	0.8
189.04518	0.5
196.98544	0.9
199.01013	0.9
199.06465	2.3
200.01067	0.7
201.00720	3.6
201.02461	0.6
215.05977	1.7
217.07520	0.7
227.05919	2.6
228.07262	1.0
230.08780	2.1
243.08325	0.8
245.06958	0.6
272.06003	0.6
274.06119	0.4
281.03439	0.9
299.04614	1.3
299.14679	2.2
301.16159	3.4
325.02463	0.8
343.03561	8.5
343.17206	63.5
344.03552	0.9
344.17438	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	343.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68850	0.4
55.02425	0.5
59.01376	100.0
60.01718	1.2
66.59681	0.4
69.40688	2.1
71.01379	4.9
73.02943	2.2
83.01386	0.8
85.02975	1.5
89.02448	2.5
97.06583	0.6
101.02464	3.0
113.02477	1.1
119.03535	1.3
125.06094	0.4
125.60415	0.4
141.05573	0.4
161.04565	0.6
179.02235	0.4
183.39293	0.5
239.12933	1.9
256.78513	0.4
301.20041	0.7
343.21289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01865	0.7
57.03445	2.8
59.01381	3.7
69.03455	1.2
69.10818	1.9
69.11224	3.0
71.01375	0.9
71.05010	1.6
72.31166	0.7
75.33329	0.7
81.03443	1.0
83.05013	2.3
84.02171	2.3
85.02959	2.1
85.06596	1.4
87.04512	2.5
90.23792	0.7
95.05009	5.0
97.06597	3.4
98.22599	1.9
104.37469	0.8
109.06582	1.5
111.04546	0.9
113.06109	1.5
123.08182	1.4
125.09750	2.2
127.11285	1.8
135.08159	1.1
155.94136	0.8
165.12828	1.0
167.14423	1.4
171.10257	11.1
181.12389	0.9
183.13907	2.6
185.11827	1.5
191.05745	0.9
193.12331	1.5
199.13345	0.9
201.11288	2.6
209.11841	6.5
211.13376	15.5
217.70297	0.9
229.14442	15.7
237.14935	11.4
238.15208	1.5
245.19124	0.9
249.14967	2.1
255.16066	1.4
267.15924	0.9
269.07034	0.8
289.18164	1.2
325.20157	8.3
326.20563	1.0
343.21234	100.0
344.21567	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03449	4.3
59.01376	5.9
61.31735	2.0
70.73666	2.7
71.01382	4.0
73.02941	12.7
73.27593	2.0
74.59856	1.7
97.06600	8.3
111.47385	2.1
113.09700	3.9
115.07652	31.9
118.89993	2.6
125.09737	12.4
127.07653	4.0
127.11293	5.2
129.09219	31.6
137.09694	4.0
141.09196	17.4
143.10786	18.8
144.11134	2.4
151.11293	40.7
152.11583	2.2
153.09267	3.3
153.12917	2.5
167.10735	3.7
171.10266	100.0
172.10596	5.7
185.11842	4.9
195.10204	3.8
197.11732	2.9
199.13490	5.4
201.11299	19.5
209.11832	2.7
213.11299	6.5
215.12900	5.3
216.14355	2.0
225.11328	6.6
227.12874	22.3
229.10806	4.1
229.14478	9.6
243.12263	3.5
289.18256	2.2
290.35178	2.0
297.20551	4.0
307.19165	24.2
310.84152	2.4
325.20251	19.1
343.11838	3.0
343.24741	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.11004	0.4
53.42703	0.3
55.01879	0.7
57.03442	2.9
58.00587	1.5
59.01374	2.2
69.03452	0.5
69.32408	0.7
69.32796	0.9
69.38489	0.3
71.01382	2.2
72.02186	0.4
72.99289	0.7
73.02945	6.2
83.05024	1.4
84.02149	0.4
85.02940	1.3
85.06640	0.4
87.04518	1.4
95.05014	0.5
97.06599	3.9
98.03778	0.5
99.88081	0.4
100.88706	0.4
109.06573	2.5
111.08160	4.5
113.09729	12.1
114.09986	0.5
121.02972	0.5
121.06624	0.4
123.08168	5.5
125.09719	8.1
127.11303	1.1
135.08203	0.9
136.46185	0.4
137.09724	1.7
139.07693	0.7
141.09239	4.2
143.10782	0.6
151.07632	1.0
151.11325	1.1
153.09212	18.9
154.09552	1.0
155.10779	1.8
159.83961	0.4
165.09201	2.9
166.09892	0.5
169.12334	0.9
171.10286	3.9
183.10263	1.4
185.11855	0.4
187.09767	1.7
201.11311	1.5
209.11826	0.4
213.11298	1.1
215.12933	0.7
217.07520	0.4
217.10803	11.4
229.10806	10.2
230.11183	0.5
261.18549	0.7
264.32437	0.4
278.66718	0.4
279.19727	1.3
307.19104	1.1
325.20209	4.4
329.43338	0.4
343.21243	100.0
344.21567	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	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03666	0.6
55.94866	0.7
57.03449	4.2
58.00573	0.9
59.01373	2.4
69.03440	1.3
69.32759	3.8
71.01386	1.5
71.05024	2.1
72.34623	0.7
73.02937	2.1
83.05042	3.4
84.02140	0.7
88.19733	0.6
93.03424	1.0
97.06604	1.2
98.03751	1.4
98.21828	1.4
99.08175	2.3
109.06593	1.2
111.08140	3.4
113.09751	1.3
115.07638	1.2
121.02963	0.9
123.08120	2.8
125.09718	2.9
127.07629	2.5
127.11301	4.2
129.09219	28.4
129.10190	1.5
133.02910	0.7
137.02492	0.7
137.09697	2.8
139.11296	1.0
141.09216	11.5
149.09650	1.2
151.11226	0.8
153.09175	3.6
154.96857	0.7
155.10780	17.0
156.11211	1.1
157.08745	2.4
165.12782	0.8
167.10751	1.7
171.10263	12.0
187.09761	5.8
195.10138	0.9
201.11331	20.2
202.11649	0.8
208.11058	1.2
213.11333	8.7
215.12796	4.0
215.27484	0.7
225.11279	0.7
241.17639	0.7
245.19139	1.0
279.19635	3.6
289.18195	3.5
307.19177	7.6
308.19580	1.0
325.20160	22.9
325.23865	1.4
326.20474	2.0
343.21237	100.0
344.21619	9.0
365.33072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.67974	2.3
59.01371	2.8
61.98833	2.7
69.86182	7.0
72.42162	2.1
81.49122	2.4
103.01509	3.0
107.03945	2.0
121.02977	2.4
121.10241	7.4
127.11326	3.0
129.70546	2.5
139.11281	11.1
168.21829	2.3
171.10283	56.7
187.36411	2.6
197.96628	2.6
211.13445	4.4
343.24890	100.0
344.25171	8.2
367.06808	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03432	0.9
59.01369	2.3
69.03455	1.5
69.75436	2.0
75.80549	0.6
83.05025	1.2
97.06557	0.9
98.21922	1.2
99.08157	7.2
113.09801	0.6
115.25165	0.6
121.10235	2.3
125.09721	2.5
127.11256	1.0
137.09708	1.0
139.11272	0.6
143.10809	0.6
153.09189	0.6
171.10274	19.0
172.10574	0.8
175.11214	1.0
185.11865	1.0
193.12321	13.2
201.11348	2.2
211.13419	3.6
213.11255	1.1
215.12871	0.6
225.14940	19.0
226.15323	1.2
243.16014	7.4
274.04559	0.8
287.51804	0.5
293.21298	2.4
307.19135	0.7
311.22220	0.9
325.20319	1.2
325.23834	0.9
343.24875	100.0
344.25214	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01377	1.1
69.03447	1.4
70.06786	0.8
74.39482	0.3
79.58241	0.3
81.03482	0.5
83.05017	1.3
97.06585	1.0
99.08150	7.2
121.02954	0.5
121.10227	2.8
125.09695	2.4
127.11296	0.9
137.09709	1.8
139.11302	1.1
143.56543	0.3
149.13385	0.5
151.11150	0.5
165.12849	0.9
171.10262	18.9
172.10674	1.0
175.11298	0.8
193.12317	11.8
194.12738	0.9
197.15405	0.5
201.11278	0.9
211.13425	2.8
212.13765	0.5
215.12881	0.7
225.14960	15.3
226.15289	1.0
243.12320	0.6
243.16014	5.6
244.16248	0.4
268.30017	0.4
289.18109	6.9
293.21411	2.0
307.19168	2.1
307.22440	0.5
309.61816	0.4
311.22281	0.5
325.20181	0.9
325.23752	0.5
343.24869	100.0
344.21021	0.6
344.25195	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	344.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69863	1.2
57.49000	1.3
59.01377	100.0
60.01714	1.6
71.01379	44.7
73.02940	2.0
81.22266	1.3
85.02945	8.2
87.00876	2.0
89.02444	50.1
95.01392	3.3
101.02443	21.3
106.06614	2.8
113.02442	18.2
119.03502	22.0
119.04948	1.6
120.05355	2.5
124.07668	3.1
131.03514	2.7
132.04565	10.7
133.05336	8.8
134.06122	2.0
136.05154	1.0
143.03523	3.8
149.04533	1.3
152.03534	3.0
161.04538	4.1
165.04311	5.0
166.05080	14.0
178.05128	1.6
179.05614	6.7
180.02992	5.3
181.05113	2.5
182.04546	45.2
183.05072	1.2
186.09209	1.5
189.01347	1.2
194.04597	1.8
206.04550	2.3
214.12285	2.6
215.11894	1.8
224.05595	8.8
236.05621	3.6
254.06822	2.4
257.12866	6.3
283.10928	2.3
284.07782	1.6
301.11890	5.1
344.09854	58.9
345.10815	25.2
345.15372	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	344.1138
Annotation	Candimine
Peak:m/z	Relative Intensity
54.46019	0.8
62.29704	0.8
70.79445	1.2
72.00895	0.9
86.10971	0.8
89.00315	1.1
91.05530	22.9
95.05087	0.9
96.55621	0.9
101.59078	1.0
106.00574	2.0
121.02955	14.7
123.00873	6.4
136.01714	0.8
138.03223	13.2
139.00369	1.1
146.06136	1.7
147.04515	22.2
148.04831	1.1
151.00348	2.5
153.05577	18.9
163.02748	1.2
164.07156	11.3
166.01454	2.2
166.02730	6.3
171.10205	1.1
178.01488	12.0
179.02228	9.9
181.03751	2.3
181.05106	3.3
190.05099	50.7
191.05428	2.7
193.03801	25.3
194.04579	13.6
196.06148	27.0
197.06425	1.5
208.06142	28.6
209.06378	1.7
222.07573	1.2
252.85864	0.8
253.05017	3.0
261.35535	0.8
270.07666	3.1
284.09192	2.4
285.09888	1.8
298.11069	1.1
300.12415	34.1
301.12643	4.0
343.21634	1.6
344.11371	100.0
344.20999	4.7
345.11716	11.2
345.22974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15478	1.0
59.01379	27.5
71.01382	20.5
71.38659	1.1
72.00900	10.7
72.82954	1.3
84.44308	1.1
85.02984	3.2
89.02443	25.8
98.83662	1.3
101.02439	7.1
113.02451	7.0
119.03495	4.7
119.04972	1.4
121.02948	4.2
123.04511	2.7
131.03508	2.2
135.04501	1.9
143.03488	3.2
147.04517	39.1
148.04901	1.8
150.03189	2.2
161.04539	2.5
164.07159	100.0
165.05630	2.5
165.07513	4.6
173.04517	1.1
179.05623	5.9
181.05084	2.0
182.05316	2.3
183.06639	1.2
186.99240	4.2
210.15022	1.3
229.00279	2.9
230.00578	3.9
248.96245	1.9
279.89786	1.3
290.97055	3.8
318.97983	1.1
337.22031	1.3
344.10269	1.7
344.94339	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	344.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01416	14.6
69.35550	52.2
69.35966	29.0
81.15459	16.2
83.58069	14.6
121.02959	100.0
156.68758	17.9
172.10643	22.2
286.12177	83.1
301.14313	65.3
343.24524	18.1
344.25156	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
70.58955	4.0
72.26115	2.1
73.10074	2.0
98.97279	2.1
103.18681	2.2
104.44360	2.7
109.73219	2.2
121.02960	10.0
121.10234	7.1
122.10566	4.7
123.04463	2.7
127.11317	2.8
171.10262	38.1
172.10612	29.3
194.92844	2.5
210.58453	2.3
216.75923	2.1
286.12161	6.7
286.23737	2.6
301.14539	6.5
308.19559	2.3
309.20724	5.3
343.24820	11.2
344.25226	100.0
345.25168	4.5
347.51270	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	344.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.5
60.82911	5.1
69.04945	17.7
69.05372	24.0
71.01389	10.4
89.02428	10.2
93.03427	6.1
101.02428	8.6
164.03529	13.0
209.05498	6.6
209.11838	100.0
227.12990	7.7
264.09943	7.2
283.10730	5.7
302.33447	5.4
345.10550	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16627	37.7
69.87593	100.0
70.13306	32.8
92.21692	29.9
127.28385	35.2
163.61787	37.1
301.16483	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31388	12.5
65.81713	11.5
69.80105	28.4
69.80471	26.1
84.67693	12.4
93.39716	10.9
125.42926	12.3
179.84476	13.7
181.84921	11.8
229.23232	14.7
344.22092	100.0
344.28534	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85655	0.8
58.00590	1.3
58.02960	3.0
59.01155	0.7
59.01382	7.6
60.04538	11.7
60.46946	0.9
61.98819	1.4
65.68128	0.9
69.09273	2.1
69.09673	4.9
70.02972	13.2
71.01376	1.9
72.00891	1.6
73.02917	0.8
76.95722	0.9
85.58482	0.8
86.02467	14.0
88.04038	100.0
89.03741	1.0
89.04335	1.2
98.03732	1.7
100.04044	98.3
101.04383	1.5
173.85551	1.0
174.02159	1.0
179.75752	0.9
188.32661	0.9
192.47699	1.0
223.20685	0.9
225.22250	12.9
226.22650	1.1
241.21585	1.6
250.25365	2.4
253.21735	10.5
255.23302	24.3
256.23660	2.7
267.23291	30.3
268.23706	2.3
278.24872	4.3
279.23035	1.4
280.26492	2.4
284.25934	9.0
285.26361	1.3
308.25909	19.9
309.26328	2.1
312.25421	10.0
316.28601	9.3
317.28873	1.0
326.27075	2.3
344.28052	82.9
345.28391	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	345.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.5
60.01713	0.9
69.03436	1.3
71.01376	3.5
71.05009	3.6
74.02469	2.6
79.69582	0.8
85.02938	2.3
87.00887	0.8
89.02447	2.5
93.03454	3.4
97.02934	0.9
99.03901	1.5
99.04519	21.8
100.00420	0.9
101.02475	1.1
112.04065	0.9
113.02433	1.3
115.04012	19.1
118.05103	1.3
121.02943	1.2
122.06143	2.1
123.00880	0.9
123.04527	12.0
131.03542	1.3
134.03709	0.9
135.04507	3.4
137.02391	4.2
139.02489	1.9
141.00478	1.4
141.99728	0.9
142.03285	1.3
143.03502	80.1
144.03824	3.0
145.03563	1.4
155.02000	5.9
157.03540	2.0
158.99710	0.7
159.01472	1.1
161.04556	50.3
162.04843	1.4
166.05077	3.5
171.01482	1.7
174.99228	1.9
179.05585	1.5
181.07220	7.1
183.01572	1.3
183.02771	5.8
185.03035	2.5
186.33905	0.9
186.99231	3.9
187.00853	1.2
191.05598	2.6
193.07173	1.9
196.44127	0.7
199.06500	3.1
201.00839	1.6
201.02541	10.1
202.02719	2.0
202.98724	5.6
203.02370	2.4
209.04803	2.7
209.06708	5.3
210.06883	1.0
211.00143	1.3
214.98761	0.9
217.00240	2.1
219.05095	1.3
221.06792	1.2
229.00183	0.9
237.06195	16.5
238.06343	1.8
248.96066	1.0
253.05679	1.7
255.05266	4.2
256.99689	1.4
259.01297	0.8
265.05707	3.9
273.06412	1.1
281.05151	23.6
282.05365	2.8
290.97021	3.8
309.04660	19.2
310.04810	2.7
327.05789	100.0
328.06168	11.4
344.94363	1.7
345.03912	1.6
345.07715	6.8
346.11636	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	345.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94183	0.5
69.03436	0.8
71.01360	1.0
71.05022	3.8
86.67855	0.5
87.04501	0.6
97.02932	0.9
99.04518	26.2
100.04837	0.7
115.04008	20.1
117.05550	1.8
118.05058	0.7
127.02576	0.6
129.04137	0.7
137.02191	2.1
139.02504	1.8
143.03499	100.0
144.03818	4.1
155.02040	3.9
157.03587	1.8
159.03033	1.1
161.04555	83.4
162.04858	3.4
166.05128	0.7
167.05688	0.8
177.07838	0.5
181.07161	5.8
183.01450	0.7
183.02763	9.6
183.06975	0.7
183.08737	0.6
185.03027	2.5
191.05659	2.3
193.07135	1.3
193.42227	0.5
199.06488	2.5
201.00832	0.8
201.02515	7.3
207.05188	0.9
209.04947	2.1
209.06737	3.4
209.08476	0.6
211.08307	1.3
219.05032	1.3
221.06766	2.2
227.06123	1.4
237.04063	1.0
237.06209	12.0
238.06493	1.4
239.07755	0.5
253.05740	1.8
255.05122	2.8
255.07764	0.9
265.05640	3.6
281.05151	21.4
282.05298	3.2
299.06293	0.8
309.04675	15.4
310.04904	2.1
327.05801	80.5
328.05954	12.7
345.04083	1.2
345.07956	5.6
346.08374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.08
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54613	0.9
57.51728	0.8
59.01381	13.9
69.82508	1.0
69.82886	2.7
71.01362	1.8
71.05020	3.8
71.59296	0.8
89.48318	1.1
99.04516	25.8
99.05175	1.3
115.02306	0.9
115.04014	17.8
117.05573	1.0
123.04523	13.1
129.04045	1.1
136.29741	0.8
137.02287	3.1
139.02554	2.0
143.03502	100.0
144.03847	4.3
155.01985	3.3
157.03496	0.9
161.04555	81.0
162.04869	2.8
166.05061	2.4
181.07182	4.4
183.01318	1.6
183.02779	7.3
183.08742	1.9
185.03055	2.7
191.05679	2.6
191.39006	0.8
193.07117	1.5
201.02504	4.5
209.06679	2.2
229.00264	1.1
237.06172	9.3
238.06508	1.0
244.27559	0.9
248.95699	1.1
253.05659	1.7
255.07353	1.0
265.05609	2.1
273.75815	0.9
281.05167	18.8
282.05295	2.2
299.06030	1.0
309.04645	15.3
327.05728	73.3
328.06000	8.8
345.03955	1.3
345.07883	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	345.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56490	0.5
61.04701	0.4
69.03439	0.7
69.57917	0.9
69.58299	1.0
71.01378	0.7
71.05016	4.3
74.02451	0.4
85.02940	0.9
86.23527	0.5
86.60050	0.5
98.22620	0.5
99.04520	24.0
100.04876	1.0
115.04011	19.0
116.04295	0.7
117.04425	0.7
117.05582	1.6
122.06096	0.5
137.02202	2.0
139.02531	1.3
143.03500	100.0
144.03827	3.7
147.03087	1.6
155.02019	3.2
155.05608	0.7
156.02246	0.5
157.03569	0.8
159.02977	1.6
161.04559	78.9
162.04919	2.3
167.02113	0.5
179.05650	0.5
181.07227	4.0
183.01338	0.9
183.02765	7.8
183.08812	0.8
185.03113	1.6
191.05659	2.2
193.07196	1.0
197.06712	0.7
199.06413	2.4
201.00894	1.2
201.02545	5.0
202.02742	1.0
209.04897	2.5
209.06760	1.8
211.06464	0.9
211.08263	0.9
219.05144	0.9
221.06694	1.6
227.05965	1.3
230.21410	0.5
237.04080	1.1
237.06204	10.0
238.06500	1.4
239.05655	0.7
239.07855	0.9
253.05804	1.2
255.05344	4.5
265.05664	2.5
273.06396	0.7
281.05194	15.3
282.05426	1.7
309.04678	12.3
310.04938	1.7
327.05872	51.0
328.06033	6.9
345.04025	1.0
345.07986	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	345.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11972	0.5
59.01371	1.6
61.98818	1.1
69.22053	2.9
85.79425	0.6
90.43031	0.5
93.03454	100.0
94.03787	2.5
102.46602	0.6
136.27199	0.5
136.28583	0.6
137.02438	89.7
138.02795	4.0
148.73476	0.5
149.02394	0.5
165.01913	1.1
177.01912	2.5
188.02470	0.6
192.04347	0.6
248.10574	3.5
345.09451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1087
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01849	1.6
57.65873	1.2
59.01371	8.9
59.72628	1.1
69.03453	23.5
69.18245	8.1
71.01374	1.9
72.00904	3.8
73.02912	1.9
73.42606	1.3
74.02464	7.0
89.02415	2.4
92.05054	12.1
97.02945	4.4
98.22701	2.6
99.00880	6.1
101.02421	1.5
108.04556	2.1
109.05643	1.4
110.06109	5.5
116.05053	14.1
123.04504	1.7
128.07176	21.5
129.05809	4.3
129.07498	1.6
130.06613	2.7
130.08720	3.4
136.01694	1.8
142.06606	4.2
151.03818	1.7
155.07372	3.6
156.06956	3.1
156.08151	5.2
157.07507	1.9
158.57835	1.5
166.06636	4.2
170.08374	2.7
170.09747	38.4
171.10092	2.4
181.07657	1.6
182.08487	4.0
183.09126	17.4
183.23105	1.3
184.11224	2.7
185.00877	13.1
196.07629	2.2
196.11333	4.3
211.12433	3.5
212.10770	2.0
213.13902	7.5
221.10852	1.9
237.10301	3.9
239.11858	51.2
240.12137	2.3
257.12927	38.3
258.13257	4.0
278.50809	1.4
282.08890	2.5
282.14572	3.2
283.10858	100.0
284.11255	8.0
297.11246	4.6
301.11893	26.5
302.12131	3.9
327.09839	12.4
345.11078	12.4
345.15488	3.0
345.23599	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	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.46812	0.5
59.01375	2.8
70.18916	0.6
71.01379	1.6
72.00913	5.1
73.02937	0.9
74.02476	5.6
84.04548	0.9
89.02441	0.8
92.05064	11.1
93.03460	0.7
108.04554	1.0
110.06116	3.8
113.02463	1.4
116.05070	15.1
118.98035	0.9
123.04527	1.0
128.05125	0.7
128.06262	1.2
128.07178	18.6
129.05849	3.1
130.06638	1.3
133.02995	0.9
135.04556	2.2
142.06645	2.9
144.08134	1.0
146.06134	0.7
154.06628	1.0
155.07410	1.9
156.06924	2.8
156.08185	7.6
157.07680	1.8
161.04648	0.8
164.07083	0.7
166.06615	5.4
167.06088	1.1
170.09750	35.1
171.10115	1.4
173.04578	0.9
177.01965	0.7
182.08443	4.4
182.09738	0.6
183.09271	16.8
184.09688	1.1
184.11313	2.4
185.10837	1.4
186.12932	1.0
191.05571	0.7
196.07629	2.2
196.11331	4.2
209.10822	0.8
211.12433	1.8
212.10811	1.7
213.13965	7.3
214.08803	0.9
214.14307	0.7
221.10829	1.3
237.10352	2.3
239.11884	52.3
240.12234	4.5
257.12949	32.0
257.15045	0.7
258.13297	2.9
259.05389	1.1
283.10867	100.0
284.11270	8.4
301.11926	28.5
302.12277	2.6
303.18042	0.7
327.09845	9.7
328.10248	0.7
345.10941	9.1
345.14963	1.1
345.19250	0.9
345.22681	1.0
346.11438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
59.01374	8.9
69.03452	43.1
69.35602	5.7
71.01357	2.0
72.00893	4.0
72.99306	2.6
73.02962	3.1
74.02457	5.3
79.01903	2.1
89.02443	2.9
92.05064	9.9
97.02950	8.7
99.00874	11.7
101.02453	2.5
110.06102	4.7
116.05056	13.9
117.05384	1.2
119.97051	1.2
123.04514	2.7
125.07201	1.4
128.07173	18.1
130.08720	3.3
137.48982	1.2
141.01909	3.7
142.06560	2.7
151.04047	1.4
155.07359	1.4
156.08205	6.5
159.10249	2.4
166.06596	5.0
170.09746	32.5
171.10034	2.6
182.08424	2.8
183.09079	15.4
184.11261	2.8
184.99387	1.9
185.00902	20.7
193.90215	1.3
196.11328	3.7
213.13956	6.5
223.05882	1.2
239.11873	54.3
240.12183	2.7
252.23857	1.3
257.12939	33.1
258.13223	2.5
278.82599	1.2
282.09058	2.2
282.14603	3.2
283.10873	100.0
284.11157	8.7
297.11230	1.7
301.11926	26.1
302.12173	2.1
327.09787	10.8
345.11197	12.8
345.15665	3.9
345.23315	2.5
356.82993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
56.97975	0.5
59.01371	3.5
69.03452	100.0
70.03784	1.9
70.66399	0.8
71.01370	1.0
72.22916	0.5
72.99316	1.5
74.02495	0.9
79.01879	4.7
82.38412	0.6
85.02889	0.5
95.01381	1.7
97.02943	18.5
97.03565	1.0
99.00873	22.7
100.01222	0.8
123.00862	0.7
123.04529	1.2
130.08733	1.1
141.01935	7.3
159.10266	4.7
185.00900	51.9
186.01198	1.7
186.78688	0.5
203.02110	0.7
206.94930	0.6
241.10809	2.7
245.54129	0.6
251.41853	0.6
312.15588	1.0
345.11932	14.4
345.15927	1.3
345.23514	1.2
346.12302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
56.95146	1.2
59.01382	10.3
69.03454	100.0
69.52116	4.6
70.03780	2.7
71.01373	6.0
72.99309	2.8
79.01884	4.5
79.90524	1.1
83.01328	1.0
85.02971	2.6
89.02438	3.1
90.97702	1.3
95.01369	2.7
95.05013	1.2
97.02950	20.6
98.02438	1.3
99.00875	26.1
101.02413	3.6
109.02944	2.5
113.02438	2.8
113.09692	2.2
119.03515	2.2
122.03681	2.1
123.04491	1.5
130.08728	2.5
136.01627	1.7
137.02426	3.1
141.01936	9.0
151.03958	1.9
159.10240	3.6
185.00903	57.0
186.01254	1.6
201.11015	1.6
241.14313	2.6
267.06659	3.6
282.09064	2.9
285.13467	2.5
297.11261	5.3
303.08755	8.9
309.14502	1.7
317.25317	1.4
327.14963	1.2
330.23013	1.2
345.11789	13.9
345.15717	4.7
345.23834	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	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88352	1.1
55.01871	3.9
59.01376	16.1
69.03454	100.0
69.60826	1.4
69.61175	4.2
70.03783	1.0
71.01378	6.7
72.76534	1.0
72.99318	2.0
73.42654	1.0
74.02454	1.6
79.01904	3.9
79.28391	1.0
85.02954	2.9
85.80451	1.0
89.02448	4.2
93.03475	1.8
95.01371	1.8
97.02943	19.8
99.00875	23.0
100.01250	1.0
101.02444	2.9
109.02969	3.3
113.02455	3.2
113.09791	1.1
119.03489	2.1
120.99619	1.7
121.03014	1.1
121.10152	1.2
122.03719	1.2
123.04510	1.5
130.08752	2.7
136.01697	1.9
137.02411	2.4
137.09776	1.2
141.01956	9.3
151.04013	3.2
156.33325	1.1
159.10239	4.1
165.16702	1.1
171.61906	1.3
172.06731	1.2
183.36925	1.3
185.00909	54.3
186.01225	1.9
192.74046	1.2
198.43861	1.1
208.38518	1.0
241.10576	1.2
241.14462	2.6
267.06613	3.0
282.08932	3.0
285.13504	2.3
292.61111	1.1
297.11246	8.1
303.08710	7.1
309.14575	3.7
317.24918	1.8
345.11798	16.0
345.15802	5.2
345.24118	4.7
346.12469	1.5
346.18732	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	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44135	0.6
50.54609	0.5
55.01876	4.1
59.01373	3.6
69.03453	100.0
70.03789	1.8
71.01382	1.4
72.64892	0.6
72.99313	2.7
79.01881	4.3
83.05027	0.8
85.02929	0.7
88.38783	0.6
95.01394	0.9
97.02951	20.9
98.21775	1.3
99.00876	24.6
99.01534	1.2
116.88449	0.6
122.03732	0.8
123.00902	1.1
123.04555	1.0
126.96346	0.6
130.08780	1.3
141.01921	7.6
159.10234	4.7
185.00906	57.5
186.01291	1.9
201.71509	0.6
203.01924	0.6
214.84099	0.6
239.14445	2.2
241.10806	0.7
258.75751	0.7
283.13513	0.6
311.63736	0.7
317.25049	0.9
345.11877	16.8
345.15848	1.2
345.24170	2.1
346.12607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1186
Annotation	Koaburside
Peak:m/z	Relative Intensity
55.01868	2.3
57.03444	1.5
58.00589	2.3
59.01378	100.0
60.01705	0.8
63.46298	0.6
69.15706	3.1
71.01379	52.3
72.99320	1.4
73.02945	3.5
83.01377	4.4
85.02952	12.1
87.00869	4.1
89.02441	48.6
95.01391	4.2
97.02988	0.7
99.00880	2.1
101.02441	32.6
113.02443	25.9
116.07201	1.0
118.98070	1.6
119.03500	19.3
120.99652	13.2
122.03779	0.8
123.04537	2.9
125.02489	1.0
129.01895	1.1
131.03528	1.5
137.02432	4.7
143.03510	3.0
149.02454	2.1
149.04567	1.0
151.04054	2.0
152.01123	1.3
152.04800	5.9
153.01918	10.3
161.04581	3.1
164.04784	2.0
167.03508	3.3
167.07127	6.7
168.04277	17.3
179.05626	4.6
179.07143	1.8
183.06609	37.9
184.07007	1.7
184.64595	0.7
191.05809	0.7
195.03003	3.0
210.05338	7.9
225.07681	11.3
285.09888	2.1
323.74213	0.8
330.09637	1.1
345.11905	76.4
345.24371	1.7
346.12231	6.6
362.01593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1706
Annotation	Royleanonic acid
Peak:m/z	Relative Intensity
58.30770	3.0
59.01366	10.0
59.12097	3.3
59.58832	3.3
61.98844	5.9
71.43446	3.9
99.58153	4.0
169.06018	25.0
170.06372	26.3
202.39648	3.8
213.04988	6.4
213.98410	3.3
214.05345	9.4
245.19102	88.3
246.19478	7.5
257.15417	6.2
259.13422	9.3
271.13394	22.6
273.18591	21.4
274.15729	15.9
286.15744	87.7
287.16144	8.8
289.18097	33.6
290.18347	4.5
290.86514	4.2
301.18045	81.3
302.18463	9.8
317.17575	15.2
345.17047	100.0
346.01901	13.6
346.17413	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	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.7
61.98823	29.8
64.37746	12.1
70.21906	18.9
70.22231	24.4
71.01376	14.5
75.00889	11.6
78.90478	12.9
83.57784	10.6
87.09733	12.7
93.03462	69.7
110.31681	12.6
124.36008	11.4
137.02429	40.5
145.02946	17.2
152.91672	12.6
163.26041	15.6
189.05594	19.9
226.26106	12.1
248.06851	18.7
248.10478	76.3
248.14752	13.8
257.96088	13.9
289.18045	14.4
290.97086	15.5
291.19629	18.1
307.19305	12.8
309.17419	15.8
309.20731	100.0
313.17941	22.2
333.59851	15.1
345.16907	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	345.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03139	0.5
58.10178	0.4
59.01378	100.0
60.01717	0.8
69.09801	1.0
69.10207	1.7
71.01379	7.4
72.99310	0.5
73.02944	10.8
73.48216	0.4
83.01400	2.1
85.02966	1.3
85.19711	0.4
89.02427	4.0
93.03456	2.8
97.02961	0.7
98.45645	0.5
100.43319	0.5
101.02435	7.8
112.52319	0.5
113.02446	3.0
119.03565	0.6
131.03514	1.0
137.02466	2.0
161.04628	1.0
221.36620	0.6
303.21857	0.9
345.11737	0.5
345.23175	0.9
359.48972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52316	1.4
56.07209	1.4
57.03473	1.9
58.00592	4.1
59.01387	6.7
61.98811	2.3
63.96233	2.3
70.63205	2.0
70.63526	1.4
79.16277	1.3
79.95723	3.5
92.64417	1.4
92.68654	1.5
98.22601	1.5
106.47059	1.4
115.55809	1.6
123.04512	3.5
123.08147	3.0
125.09730	15.7
127.11282	4.5
129.09230	1.9
137.09729	2.0
139.11299	3.6
141.09253	1.5
143.10793	8.6
151.11290	2.3
155.10768	4.9
167.10770	2.6
169.12364	2.6
171.10258	81.9
172.10588	3.5
183.10210	1.6
185.11827	15.0
195.10271	4.1
199.09782	2.2
201.11308	92.3
202.11674	6.1
213.11304	100.0
214.11691	6.2
215.12932	7.8
231.12347	23.0
234.59744	1.3
247.10550	1.3
254.85313	1.4
266.52438	1.5
290.97104	1.5
299.22137	2.2
309.20715	13.6
317.24774	1.7
327.21793	8.2
345.23853	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	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.86203	0.4
57.03448	1.3
59.01368	2.0
59.33881	0.4
60.98207	0.5
65.98253	0.5
71.05025	0.7
72.48776	0.5
73.02953	0.4
80.96511	0.6
83.05027	2.1
84.02150	1.2
85.02965	0.9
99.08153	4.0
109.06528	0.6
111.08160	1.5
113.09700	1.2
123.04514	0.7
123.08167	3.4
125.09644	0.8
127.11265	2.5
129.09198	0.6
132.28574	0.6
137.09718	1.4
139.11296	10.0
141.09210	5.4
151.11288	1.0
153.12956	0.8
157.12341	2.2
169.12384	0.6
181.12355	5.8
187.09755	6.0
197.11836	0.7
201.11296	0.9
227.12875	1.7
237.01770	0.5
245.13962	1.6
245.50731	0.5
343.21014	0.8
345.22791	100.0
346.23129	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56123	10.6
57.10384	9.4
57.94017	11.2
59.01379	27.4
61.98826	15.1
69.60378	26.1
79.64455	8.4
95.34707	8.9
98.21922	19.4
101.02568	10.4
104.45767	9.4
120.11502	9.7
122.03774	21.5
123.04523	22.0
128.05016	9.3
152.08397	20.4
190.93825	9.1
194.92841	11.7
202.98787	13.4
254.85590	12.3
260.87253	12.0
265.11517	10.5
290.97183	15.5
291.19684	34.5
309.17117	29.6
309.20724	100.0
310.20987	18.9
317.24817	30.8
345.24350	49.5
346.17661	40.5
359.29916	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	346.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05851	0.4
59.01376	51.0
60.01712	5.2
61.01806	1.0
61.98827	100.0
70.93758	0.5
74.79755	0.3
76.85155	0.4
93.57249	0.4
96.96029	1.3
105.30821	0.4
118.64166	0.4
158.03801	1.0
159.03265	2.1
160.01599	0.7
161.01237	0.5
170.34734	0.4
175.61024	0.4
188.00658	0.7
201.02568	5.7
202.02695	21.9
202.98837	1.0
202.99185	0.9
203.02275	24.7
204.00032	42.1
204.02771	8.5
205.00191	3.5
205.02757	0.8
208.60432	0.4
217.00443	0.5
235.72223	0.5
247.95576	0.4
256.36014	1.3
256.85904	1.3
257.85675	0.5
295.84113	0.5
296.33905	2.0
296.83749	4.3
297.33798	1.1
297.83682	0.8
346.03806	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	346.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19955	0.5
54.09201	0.4
59.01372	3.0
60.65286	0.5
61.98828	100.0
66.08885	0.4
69.57594	1.9
71.01377	1.5
73.20747	0.5
74.02486	0.9
85.02960	0.9
86.93485	0.5
87.00868	0.7
89.02475	1.2
90.85004	0.5
93.03467	0.6
97.02975	0.5
101.02451	0.7
121.02885	0.5
122.06123	0.6
129.05522	1.1
130.06659	0.9
135.04509	1.0
137.38568	0.5
142.01727	0.9
166.05148	1.2
173.04523	0.9
185.02245	0.5
189.05629	0.7
191.05608	5.1
241.73312	0.5
285.04047	0.9
286.07401	0.7
346.08008	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	346.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.5
69.03460	41.4
70.03775	12.6
71.01378	10.1
71.64914	6.4
74.02438	9.0
97.02964	14.0
98.21845	11.5
99.00906	10.9
100.74277	6.5
100.84266	6.5
101.02463	9.1
122.03786	8.6
137.02451	30.5
155.13365	6.0
185.00899	15.6
186.01237	17.8
203.08003	6.3
220.80957	8.2
230.27431	7.4
252.98819	7.0
285.07660	13.2
303.08713	100.0
304.08960	10.1
312.15466	6.9
347.16788	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	346.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33446	5.3
59.01358	15.7
69.03450	6.3
69.07681	35.0
93.03450	7.2
97.02925	11.3
122.03671	5.6
125.02487	5.8
134.32887	5.3
137.02415	14.0
151.04068	5.2
179.03555	5.7
219.06496	5.1
227.98949	5.4
241.33582	5.1
259.09680	5.9
300.56485	6.0
303.08701	100.0
347.17102	14.8
357.70319	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	346.1007
Annotation	Profluralin
Peak:m/z	Relative Intensity
50.49282	3.1
50.67689	2.4
59.01376	2.7
60.69658	2.6
61.38725	2.4
61.98840	3.9
82.03938	2.4
83.69734	2.6
89.38101	2.4
99.92579	71.6
100.92600	4.9
100.93350	4.8
110.04746	2.5
115.92062	11.3
116.92863	8.4
118.89980	52.2
119.90775	6.1
131.08731	2.5
134.89442	5.3
135.90245	22.6
139.33084	2.6
169.96767	3.1
189.79056	2.6
198.63445	2.6
227.76390	2.7
245.26756	2.9
265.21756	16.7
310.12384	23.3
345.56427	2.7
346.10052	100.0
346.24484	3.8
347.10263	11.3
347.18463	6.5
347.22351	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	346.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00756	0.7
56.11287	0.8
59.01376	10.6
64.23402	0.8
69.37497	3.6
71.01377	7.9
78.95911	1.8
84.00900	1.2
89.02430	0.9
95.05025	3.2
98.21839	1.5
101.02466	0.8
112.04041	36.9
113.02458	1.3
113.04338	1.1
117.96474	0.7
122.06122	1.2
123.03209	1.0
124.04045	11.0
126.05602	5.7
128.03477	1.0
131.08223	1.1
138.05595	1.7
140.06198	0.8
140.07135	5.3
154.05095	7.4
154.08727	0.9
164.07140	1.1
166.05084	100.0
167.05452	4.1
182.08218	36.8
183.08531	1.9
183.36964	0.9
184.06104	11.0
191.05598	1.2
208.06111	0.8
226.07207	10.5
281.88245	0.9
311.90936	0.9
328.10480	2.9
346.07178	2.0
346.11426	36.5
347.11676	3.3
350.24033	0.8
354.07028	0.9
362.76602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	44.3
61.98817	100.0
65.99974	40.2
84.22832	47.0
133.98692	38.5
143.55382	43.3
174.80774	45.7
273.07623	56.6
339.09970	40.0
345.23206	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	346.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01373	27.1
72.97578	18.1
73.02943	40.9
98.21751	33.3
101.02467	28.0
135.04506	51.3
176.03958	26.0
191.05675	25.9
203.49255	15.1
214.11031	22.9
220.50394	21.7
295.92889	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.23776	18.8
71.01376	26.0
73.02944	6.0
79.48589	4.3
85.02970	9.4
87.00880	4.2
89.02425	9.3
93.03455	13.6
98.22620	8.1
101.02435	13.9
105.03414	5.0
113.02452	9.2
122.27496	4.3
132.04535	10.1
133.02962	31.3
133.05363	4.7
134.05673	5.1
135.04532	45.6
136.04863	3.8
137.02495	5.1
161.04567	5.5
173.04521	17.5
176.03972	18.7
177.01884	14.1
178.02722	5.4
179.03510	25.1
179.04912	3.2
187.27681	3.6
191.05588	8.3
229.04305	8.7
258.13034	4.4
259.05270	9.5
261.13345	7.0
302.12161	6.1
305.16241	5.7
346.11258	28.2
346.19882	16.6
346.23785	5.0
347.11163	4.3
347.17007	16.6
347.20715	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	346.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86329	9.7
54.95377	8.8
59.01379	100.0
59.29945	8.7
60.36339	7.4
61.98824	19.3
69.81332	29.6
74.89368	9.0
80.44315	9.7
81.95489	7.8
84.38046	7.9
121.02964	53.0
142.21402	10.0
166.60793	8.2
186.65111	9.7
272.10550	69.6
278.11346	14.0
287.12735	44.9
293.21417	9.9
310.89368	8.9
311.22333	29.0
348.31360	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	346.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.2
61.98830	1.0
64.11249	0.7
66.03454	1.0
69.24461	2.3
69.24860	1.7
71.01365	2.3
79.51661	0.6
81.27879	0.6
82.36974	0.8
82.87359	0.6
83.04997	0.9
87.00872	1.3
88.52201	0.7
89.02439	1.0
90.62626	0.7
93.03452	2.4
93.04573	23.3
101.02451	0.8
109.06576	1.1
111.04480	1.0
115.04014	1.2
134.09778	1.3
135.04474	0.8
146.09773	0.8
162.12872	11.8
164.14433	34.3
165.14726	1.3
167.28990	0.7
172.11288	1.7
173.04535	1.6
179.03452	1.1
190.12364	36.0
191.05609	1.8
191.12727	2.2
208.13393	41.2
209.13727	2.2
256.06543	0.9
258.19727	1.4
284.17657	38.1
285.17917	3.4
287.14868	1.4
302.18704	25.0
303.19025	1.7
328.16724	3.5
346.17670	100.0
347.11694	1.8
347.17908	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	347.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.95016	2.7
69.94458	2.5
70.96931	3.6
71.47692	2.7
89.47801	2.9
93.03441	3.7
99.56092	3.0
121.02955	89.7
272.10553	94.9
273.10812	5.9
287.12878	82.6
288.13232	5.9
308.63309	2.6
346.17929	3.2
348.21683	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	347.1861
Annotation	Xerophilusin I
Peak:m/z	Relative Intensity
51.25364	1.1
59.01357	1.1
61.98830	2.2
83.05021	1.7
98.22648	3.2
117.50880	1.1
137.02432	2.6
153.05540	1.6
153.36641	1.1
164.04744	1.2
164.08435	1.5
167.07127	1.5
189.12808	1.1
215.10835	1.2
243.10269	3.3
244.10934	2.9
257.19073	4.0
285.14932	1.3
285.18570	1.3
299.16553	1.5
301.18011	5.1
303.19543	1.1
311.22452	2.4
314.18823	1.6
315.19632	77.6
316.19962	9.3
319.19177	2.4
329.17578	27.6
330.18057	2.3
347.18597	100.0
347.22305	11.5
348.18732	10.1
348.21329	1.6
348.22614	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	347.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01899	11.0
58.02970	33.8
70.88931	17.5
84.51522	11.4
168.13979	100.0
186.76718	11.5
229.95218	11.0
241.15970	18.3
301.18091	17.6
304.18680	16.5
329.17410	19.1
336.26682	14.3
347.18518	44.2
348.21994	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.9
61.98819	46.9
69.75840	25.5
107.94299	14.7
311.22189	46.6
335.63193	16.2
348.21725	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	347.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41363	21.3
58.03008	33.0
60.95406	21.7
67.05877	26.1
70.64777	43.1
168.13953	100.0
211.62181	26.5
270.45810	22.9
311.22244	42.1
321.52731	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	347.2227
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
59.01360	0.9
61.98819	1.0
63.78738	0.7
65.95467	0.6
66.72157	0.6
69.28044	0.6
71.13680	0.8
94.14258	0.7
94.75184	0.7
95.67978	0.6
97.64608	0.6
115.87274	0.6
135.41034	0.7
164.08415	1.5
184.61960	0.6
231.10280	0.8
243.10272	2.9
244.10974	3.8
257.11792	1.1
272.14301	0.8
285.14774	0.7
299.16217	1.0
300.17230	2.2
315.19632	100.0
316.19940	12.6
347.18536	3.0
347.22250	6.4
347.26242	1.1
348.22137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2225
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
57.03429	2.3
59.01369	1.4
60.03350	1.0
61.98830	1.7
62.74800	1.2
69.07689	1.1
69.55165	2.1
69.55511	3.0
71.01405	1.2
81.03451	1.4
83.05030	3.8
85.02950	2.7
94.81853	1.0
97.69920	1.0
108.02185	2.4
111.04520	4.1
114.06518	1.2
123.04538	3.0
127.04033	5.1
140.04784	3.7
172.03781	12.0
189.16487	4.4
191.27931	1.3
207.17622	1.2
217.16019	4.0
219.17342	1.2
293.21310	1.5
311.22324	5.7
338.01517	1.2
347.22269	100.0
348.22549	11.2
356.84662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28086	6.9
53.68753	9.0
59.01379	100.0
61.98817	19.0
65.63892	8.2
70.11517	8.5
71.01374	61.0
73.02958	23.8
74.85754	8.5
83.01388	14.4
85.02954	24.4
89.02439	19.1
93.32908	9.2
99.04525	10.1
101.02431	43.3
113.02448	31.3
124.08648	8.5
129.01945	11.5
135.04581	9.7
143.03481	62.3
144.03917	9.2
150.52060	8.3
154.28107	8.1
161.04585	27.3
163.01041	8.7
177.05635	10.4
189.05495	39.1
190.05995	15.5
235.08194	20.7
280.72586	8.6
291.07376	8.6
311.07880	8.1
312.08023	9.1
338.13202	7.9
348.13998	12.6
348.21799	17.4
349.14905	14.2
349.18777	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	348.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62097	0.7
59.01384	4.8
60.99366	0.7
61.98831	100.0
69.72961	1.1
69.73308	2.1
71.01373	3.7
75.00877	1.3
78.04209	0.8
85.02958	2.2
85.76370	0.6
96.02509	0.7
98.22601	1.0
99.00892	1.2
99.04522	4.8
101.02467	2.3
102.02838	0.7
107.36875	0.7
113.02467	2.2
123.04517	1.4
124.04904	1.6
133.02959	4.7
160.01773	1.0
161.04611	1.0
177.01941	2.1
182.70142	0.8
192.99588	1.0
205.07007	0.7
249.06146	0.9
267.07309	3.2
348.21860	3.5
349.11414	4.2
349.15204	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	348.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.44766	14.2
71.01376	32.5
85.17729	15.9
86.45910	14.9
98.22674	42.2
98.47577	13.2
108.01140	14.7
180.21371	14.1
202.62540	15.6
228.84427	17.3
276.14383	17.5
334.22641	15.6
365.91422	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	349.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01942	1.4
59.01380	10.4
65.27122	1.3
70.36263	3.3
71.01372	6.1
71.05026	1.7
83.01384	2.3
85.02980	1.9
89.02435	3.1
99.00879	4.0
99.04510	21.5
101.02435	2.9
112.98803	5.7
113.02419	2.0
115.04006	10.1
126.37395	1.4
129.01898	1.8
142.99858	20.5
143.03496	100.0
144.03804	3.4
173.00922	11.2
174.01274	1.5
191.05716	1.8
201.00694	2.4
204.95824	2.0
349.00720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.0
53.46580	0.8
55.01850	0.9
59.01366	0.9
60.83403	0.6
67.01862	1.3
69.03452	31.7
69.56005	3.0
70.03776	0.6
71.01381	6.2
71.34414	0.7
73.02946	0.7
78.95910	1.5
80.26014	0.6
85.02952	6.6
87.00887	4.3
98.00072	1.3
99.04529	1.2
111.00883	6.2
112.01662	19.3
113.02447	100.0
114.02763	2.1
115.00404	0.9
115.04037	1.5
125.60020	0.8
133.01430	1.2
143.03510	2.7
144.04515	3.6
147.95662	0.8
149.04471	0.7
152.99530	1.1
157.01408	17.2
158.01698	0.7
159.02975	0.8
161.04572	1.6
182.73793	0.7
187.04218	1.5
191.05635	7.8
194.97026	1.9
196.98564	37.2
197.98845	1.3
227.48029	0.8
242.09557	0.8
252.95331	1.1
331.15512	2.1
349.09412	4.5
350.09674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08831	0.5
57.03445	0.5
59.01365	1.6
60.99309	0.8
62.92564	0.4
67.01897	4.0
69.59138	1.0
69.59524	1.0
71.01379	1.2
79.95749	0.6
93.03458	20.1
94.03775	0.6
98.21920	1.0
111.04499	2.1
123.65134	0.5
132.02170	15.4
133.02942	0.9
134.03738	23.7
137.02451	1.2
148.05281	0.5
149.06081	21.9
150.06383	0.6
155.03542	0.6
160.01657	74.1
161.01985	4.0
173.04576	4.5
175.04001	100.0
176.04366	5.0
193.05058	13.4
194.05428	0.7
349.09277	38.5
350.09552	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86692	1.1
57.03439	3.0
59.01378	28.4
61.98827	60.4
68.99810	1.2
69.03473	1.2
71.01381	21.9
71.05763	0.9
72.99300	5.8
73.02952	3.0
75.00867	24.4
81.03469	2.0
83.01402	1.3
85.02950	21.0
87.00865	8.1
89.02438	5.2
89.68808	1.0
91.02531	1.0
95.01373	8.3
97.25125	0.9
99.00880	12.7
99.04514	100.0
100.01311	0.9
100.04870	2.0
101.02454	1.4
103.00359	2.9
113.02443	36.2
115.00378	2.6
117.01939	3.5
128.03545	1.2
129.01965	2.5
131.76454	1.0
144.04544	3.4
155.42336	1.0
158.74275	1.0
161.04578	1.1
175.02475	3.8
205.07205	1.7
231.05115	3.1
249.06148	32.3
250.06477	1.2
258.19803	0.9
260.13010	1.1
267.07172	24.8
289.09119	1.2
298.39362	1.1
331.10376	2.5
349.11377	91.9
349.17920	7.9
350.11758	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	349.1137
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01874	1.3
57.03431	4.1
58.00571	1.6
59.01377	71.0
67.13284	0.8
68.99805	2.0
69.03436	1.6
70.48518	1.7
71.01382	46.0
72.99297	4.7
73.02956	4.4
75.00869	21.7
83.01387	2.1
85.02950	27.4
87.00874	9.3
89.02442	32.1
92.19014	0.8
95.01394	9.3
99.00874	12.0
99.04517	100.0
100.01801	1.1
100.04860	2.5
101.02446	15.1
103.00371	2.0
113.02448	34.7
114.02834	0.9
115.00403	3.0
117.01935	4.0
119.03505	10.8
129.01939	2.1
131.03499	1.5
139.00383	1.1
140.12010	0.9
141.76051	0.9
143.03502	1.5
145.73279	0.9
161.04568	4.7
175.02451	2.3
179.05554	2.7
187.13383	3.1
191.75189	1.0
231.05101	2.4
237.25450	1.0
249.06139	22.8
250.06564	1.7
267.07190	11.0
318.85898	1.1
331.10193	3.0
349.11368	77.6
349.18607	8.2
350.11658	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	349.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03435	4.5
59.01380	27.5
65.00864	1.0
69.03422	1.2
70.47412	2.6
71.01006	2.0
71.01382	23.0
72.99295	4.8
73.02939	3.3
73.28117	1.1
75.00869	21.5
77.74352	1.0
83.01373	2.4
85.02954	21.9
87.00877	11.6
89.02448	6.9
93.29978	1.2
95.01378	6.5
99.00877	11.9
99.04517	100.0
100.04865	2.5
100.63454	1.0
101.02446	4.1
103.00346	2.6
111.00924	1.3
113.02453	29.9
115.00375	2.2
117.01939	3.7
128.27849	1.1
129.01884	1.4
157.01509	1.2
161.04565	5.0
175.02496	2.4
224.88940	1.1
231.05106	4.0
249.06143	29.7
250.06436	2.5
267.07147	18.9
308.78922	1.2
331.10413	2.5
334.00110	1.1
349.11395	94.3
349.18628	6.9
350.11688	4.9
350.25629	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	349.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75205	0.7
54.05438	0.7
59.01363	0.9
69.20679	3.8
71.07997	0.7
73.02954	0.7
79.95734	1.6
80.96542	0.8
83.05022	1.6
89.93648	0.6
93.03469	0.8
97.06605	3.6
98.21839	1.0
111.04522	7.3
113.06080	1.2
118.93797	0.6
121.02959	15.6
123.00871	1.1
125.06087	2.2
135.04527	21.1
136.05304	86.5
137.05656	3.6
138.03229	2.6
147.49338	0.8
149.05988	0.9
150.52759	0.7
151.07617	4.5
153.05577	39.4
154.05959	1.3
161.02461	1.3
168.04250	3.8
197.84821	0.7
245.11784	0.8
254.09564	4.2
269.11838	5.1
273.11099	1.0
287.12888	100.0
288.13184	9.6
291.12271	0.9
303.12381	2.4
305.13916	29.1
306.14322	2.5
333.04391	2.9
349.07483	7.4
349.12585	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	349.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70158	1.7
57.90908	1.6
58.29884	1.5
59.01382	2.4
61.98829	4.9
83.05007	5.0
85.06590	100.0
101.02416	9.4
134.03777	2.5
145.03012	2.1
160.05263	2.8
161.02422	8.2
172.05327	6.6
173.06067	2.3
174.06851	38.7
175.03990	4.6
175.07172	2.6
176.04773	2.8
181.87224	1.8
189.09196	19.4
191.07101	5.7
208.97687	1.9
221.11839	82.5
222.12157	5.1
241.00563	2.3
277.14417	16.3
344.43378	2.0
349.22107	2.3
350.16083	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03440	1.7
59.01075	0.7
59.01377	16.4
69.03455	14.9
69.13490	2.3
71.01382	17.5
72.99284	0.6
73.02950	8.6
75.00865	0.8
76.87765	0.4
83.01389	4.6
85.02948	9.5
86.00098	0.5
87.00880	0.9
89.02448	2.0
95.01394	1.0
98.00071	1.3
99.00868	2.6
101.02441	19.1
105.78431	0.5
111.00897	0.4
113.02448	100.0
114.02798	2.8
119.03544	0.7
143.03456	1.1
147.02499	0.4
151.70621	0.4
159.02983	1.7
161.04555	9.5
171.86824	0.4
235.11858	45.9
236.12228	2.3
349.18649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94284	0.7
55.01871	0.8
57.03431	1.0
59.01376	12.2
69.03449	11.3
71.01382	15.3
71.09377	1.1
72.65587	0.7
72.99300	0.7
73.02947	5.6
83.01385	2.8
85.02936	7.4
87.00874	0.9
87.05615	0.7
89.02429	3.6
93.03458	1.8
95.01397	1.9
99.00887	2.2
101.02433	12.4
113.02444	100.0
114.02757	2.2
119.03453	1.0
120.99706	0.7
134.03735	4.0
137.02420	2.0
143.03479	1.0
144.04539	1.8
155.03587	1.1
159.03021	1.2
161.04570	9.1
163.83621	0.7
164.07275	1.0
193.05060	3.7
235.11852	36.1
236.12234	2.2
267.96643	0.7
271.27478	0.7
300.02618	0.7
330.84930	0.9
349.15146	1.0
349.19629	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48095	0.5
55.01870	2.2
57.03436	1.3
59.01374	22.6
60.70967	0.7
65.98660	0.6
69.03456	12.9
69.22993	2.7
69.23397	1.2
71.01376	18.9
71.01779	0.9
73.02939	8.4
83.01386	5.2
85.02943	11.0
89.02438	4.2
91.68600	0.6
95.01405	0.7
98.21836	1.3
99.00883	2.2
101.02441	22.8
103.95628	0.6
113.02447	100.0
114.02801	2.3
119.03504	1.2
129.01822	0.9
143.03519	1.3
159.03012	2.6
161.04544	11.2
162.04829	0.7
169.12190	0.7
235.11845	59.3
236.12135	3.6
269.13058	0.7
349.18613	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12567	0.6
51.35430	0.6
52.42556	0.6
53.82657	0.5
55.69043	0.6
59.01377	100.0
60.01703	1.0
64.58601	0.6
66.23121	0.6
68.54491	0.6
69.03427	0.6
69.69267	1.7
71.01365	1.0
73.02937	0.8
89.02465	0.8
98.22544	0.8
113.02470	2.5
119.69662	0.6
129.82140	0.6
154.87778	0.6
218.72664	0.7
235.11861	0.8
247.26363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.35049	0.5
57.03444	0.7
59.01377	12.6
67.35028	0.5
69.03451	12.3
71.01382	15.5
72.99290	0.6
73.02941	5.1
83.01384	2.4
85.02930	7.7
87.00896	0.8
89.02431	3.5
93.03455	1.4
95.01388	1.2
98.00105	0.6
99.00864	1.5
101.02436	11.9
113.02448	100.0
114.02776	3.2
119.03501	1.3
130.08754	0.7
134.03711	2.7
137.02478	0.9
143.03427	1.1
144.04556	1.7
150.07565	0.6
155.03421	0.8
159.02994	1.9
161.04559	10.4
187.09792	1.0
193.05013	2.8
235.11848	32.5
236.12155	2.0
309.54898	0.6
331.04535	0.6
349.15109	0.8
349.19467	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15451	0.7
55.01874	1.4
57.03450	1.9
59.01377	100.0
71.01381	17.1
71.43498	0.9
72.01665	0.8
72.57848	0.8
73.02940	6.4
75.00854	0.9
82.34889	0.7
83.01394	2.2
85.02930	7.0
85.43856	0.7
87.00890	1.3
89.02446	3.7
90.11121	0.8
92.05074	2.0
93.07111	1.8
95.01391	1.1
96.96027	1.9
99.00916	1.8
101.02442	12.6
113.02452	8.9
114.79314	0.8
119.01375	1.3
119.03553	1.0
136.04095	1.1
143.03511	1.0
143.05017	1.5
147.04453	1.4
159.03004	0.9
161.04527	11.6
173.09686	2.0
175.04022	0.8
178.10341	0.8
201.09245	2.2
210.57860	0.8
289.16531	1.4
290.10580	1.3
305.10291	5.2
306.84995	1.0
307.17636	15.4
308.17874	1.3
349.09329	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	349.1864
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01880	1.8
57.03440	0.8
58.57873	0.6
59.01378	100.0
60.01704	1.4
66.45415	0.6
70.44732	0.7
71.01380	19.4
73.02941	7.0
77.51015	0.6
83.01397	2.9
85.02948	8.4
87.00877	1.5
89.02444	6.6
95.01389	2.5
98.22696	1.6
99.00883	1.9
101.02435	16.5
113.02440	11.1
119.03510	2.4
124.91978	0.6
141.12935	0.8
143.03525	0.7
145.12367	1.9
148.07585	0.7
159.03008	1.3
161.04543	10.0
169.12321	3.4
187.13380	3.1
217.63690	0.7
220.90610	0.7
235.11920	2.1
289.16345	0.7
305.11258	1.8
307.17618	14.1
308.17999	1.2
349.09576	1.2
349.18631	26.1
350.18896	2.4
363.36465	0.6
374.80215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03450	2.1
58.00582	1.2
59.01378	100.0
60.01708	1.0
67.01891	0.4
69.03461	0.7
71.01380	56.2
71.12749	0.3
72.01717	1.1
72.99297	2.3
73.02946	3.9
75.00871	5.5
76.81779	0.3
81.03438	0.7
83.01384	2.8
85.02950	15.3
87.00864	3.7
87.01295	0.3
87.55853	0.3
89.02443	64.0
90.02805	1.0
95.01380	5.6
99.00874	4.0
99.04517	21.5
100.04861	0.6
101.02441	26.7
102.02769	0.7
103.00368	0.6
111.00920	0.4
113.02448	28.5
114.02805	0.8
115.00400	0.6
116.92906	0.4
117.01949	0.9
119.03503	22.2
120.03885	0.5
125.02451	0.7
129.01958	0.6
131.03482	2.6
131.26086	0.3
139.00470	0.5
143.03494	4.0
149.04562	1.8
159.03029	0.7
161.04556	6.5
175.02490	0.6
179.05620	7.6
180.05959	0.4
187.13361	2.2
205.07158	0.4
231.05238	0.5
249.06152	6.9
267.07217	5.9
267.09793	0.2
271.05917	0.4
301.10806	0.4
331.10318	0.5
349.11407	19.5
349.18527	13.7
350.11923	1.9
350.19061	1.1
363.41803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56736	19.2
58.17661	21.2
59.01374	33.9
61.98827	27.7
62.18672	20.2
79.26101	23.6
94.69187	20.9
96.96037	41.4
115.04028	33.4
118.96021	25.7
197.01434	25.7
201.13165	21.8
311.22299	100.0
344.47525	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	349.2018
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
55.01858	1.5
55.58210	0.6
59.01373	1.5
59.11779	0.6
71.84777	0.8
80.05399	0.7
108.93327	0.7
109.02927	3.0
110.03740	4.8
123.00861	3.1
124.01637	1.4
125.02409	3.3
129.88753	0.6
137.02429	1.7
138.03233	10.4
142.02693	1.0
165.01920	1.1
166.02686	5.7
167.03293	1.0
179.03506	2.2
180.04184	2.8
193.05090	0.9
198.01656	1.4
216.08669	0.7
265.14478	4.9
293.68124	0.7
321.20715	9.7
349.20166	100.0
350.20486	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	349.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98828	1.7
69.73418	2.1
69.73753	1.3
98.21994	1.7
98.27869	1.1
116.15463	0.8
117.01053	0.9
120.22376	1.0
180.19098	0.9
251.87781	1.0
289.23831	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	349.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74702	0.6
52.11611	0.7
52.91842	0.7
59.01377	100.0
60.01726	1.1
75.22007	0.7
78.95887	3.5
104.20482	0.6
159.61067	0.8
167.08661	0.7
171.13927	0.8
174.48141	0.8
206.48978	0.7
289.23840	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	350.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72071	0.8
59.01377	2.1
59.22408	0.9
60.07630	0.7
61.98825	2.3
69.21387	0.9
75.95982	0.8
96.02169	3.0
96.96022	1.1
99.23815	0.8
111.00887	0.8
123.00899	1.0
124.01688	5.1
133.02919	1.0
152.01134	6.1
153.34477	0.9
154.90654	0.8
165.10741	1.1
166.02715	2.1
192.95883	2.1
237.14972	6.9
265.14444	100.0
266.14755	8.1
291.09045	1.8
316.49246	0.9
350.06799	1.1
350.11813	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	350.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.8
60.15131	10.3
61.98819	34.0
65.87778	12.1
69.51352	9.9
70.33409	22.3
92.80614	11.7
96.95987	25.1
107.25934	10.6
132.85722	10.6
145.78294	9.9
146.68500	10.6
176.31189	12.0
186.95525	22.7
192.95805	38.6
223.02773	40.8
265.14569	50.5
291.09085	100.0
292.09402	14.8
306.21634	12.3
307.12213	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1609
Annotation	Angularine
Peak:m/z	Relative Intensity
59.01369	2.7
66.40534	0.6
69.03448	2.3
69.10074	3.4
70.12061	0.6
71.05006	0.7
73.02962	3.2
82.66589	0.5
87.00883	1.0
91.47908	0.5
96.13142	0.6
96.96024	1.3
97.02969	2.8
100.69984	0.6
109.06580	2.7
113.02445	6.8
120.08175	1.1
127.07629	1.0
132.08200	0.8
133.02953	1.4
134.09756	42.9
135.10088	1.7
139.82007	0.6
154.06287	0.8
161.08418	1.0
175.10060	1.7
177.01929	0.7
188.10771	0.6
189.11525	3.1
190.12372	100.0
191.05540	0.8
191.12714	5.5
204.35938	0.6
214.12392	1.6
215.09242	0.6
226.16042	1.7
244.13348	1.4
244.17061	5.2
270.14944	2.1
271.09738	1.0
288.15997	7.4
289.16611	0.6
292.35922	0.5
306.17120	9.3
307.17520	1.0
314.14142	0.8
332.15009	57.9
333.15378	6.4
336.62238	0.8
350.16144	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24487	0.8
57.03467	1.2
59.01379	2.0
60.99303	2.6
61.21401	0.9
67.01881	4.9
69.03438	1.3
71.01385	2.5
73.02927	1.1
77.03969	3.5
79.00609	0.8
81.03482	1.3
83.05029	1.5
84.07770	0.8
85.02943	4.2
87.00865	9.9
89.03938	0.9
89.94511	1.0
91.05525	1.3
91.82600	0.9
92.85710	1.0
93.03458	35.4
94.03777	1.6
95.05011	4.0
100.39533	1.2
105.02809	1.4
105.03464	19.3
107.03675	1.0
107.05025	3.6
109.02956	14.1
111.04516	6.0
117.03418	1.1
123.04528	4.7
127.03991	1.5
129.01976	1.3
132.02194	1.2
133.02957	100.0
134.03235	4.3
135.04530	22.2
137.02458	1.7
149.02446	2.0
150.03162	5.4
151.03940	2.6
155.03474	2.4
161.02432	2.2
173.04538	37.9
175.60390	0.9
177.01927	38.8
178.02396	2.1
179.03476	6.3
191.05611	49.4
192.05846	1.3
215.05605	33.9
215.07678	1.8
307.08185	4.7
351.03174	1.5
351.07205	20.0
352.07477	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	351.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
63.07785	0.4
70.75668	0.6
71.01389	0.4
73.02934	0.6
77.03970	3.2
85.57874	0.4
87.00891	0.5
89.03961	0.9
93.03434	3.3
94.96046	0.4
95.05014	5.1
105.03462	17.4
106.03793	1.0
111.04526	1.8
119.99722	0.4
121.03019	0.5
123.04523	1.9
126.06976	0.4
132.02168	0.8
133.02957	100.0
134.03308	4.4
135.04532	0.7
135.54654	0.4
149.02394	0.7
150.03221	0.8
151.04080	0.4
155.03514	1.7
157.05057	0.5
173.04539	11.6
176.26042	0.4
177.01927	38.0
178.02257	2.2
191.05641	1.2
257.77054	0.5
351.07260	4.2
351.11420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03077	0.5
52.85434	0.4
54.25429	0.4
57.47846	0.4
59.01377	1.0
69.10558	1.6
69.10963	0.8
83.04990	0.8
84.17666	0.5
87.00946	0.5
93.03453	3.0
103.05534	3.3
104.05856	0.5
105.03471	0.6
105.07092	0.9
109.02956	0.5
111.04535	2.5
119.05016	0.6
120.99699	0.4
131.05014	0.9
133.02965	4.5
133.06618	4.4
137.02426	0.5
147.04500	0.7
149.06075	0.5
155.03488	3.1
160.01685	0.9
173.04494	5.5
175.04105	0.7
177.02084	2.1
177.05565	100.0
178.05925	5.4
191.05615	1.1
194.10287	0.4
335.24884	0.4
351.10757	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	351.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41303	0.5
55.01863	0.6
56.09442	0.5
57.03443	2.7
59.01073	0.9
59.01374	16.9
61.98825	15.7
62.48018	0.5
68.99812	0.9
69.03470	0.7
69.40441	2.2
71.01379	12.7
72.99301	3.5
73.02936	1.3
74.25709	0.6
75.00868	16.3
83.01378	1.3
83.50829	0.5
85.02451	1.2
85.02948	18.2
87.00876	6.4
89.02442	3.8
93.03447	1.0
95.01395	4.0
98.21687	0.4
99.00877	9.6
101.06076	100.0
102.06423	3.0
103.00360	1.5
107.20009	0.8
111.00870	0.7
113.02441	18.1
113.03238	0.9
115.00349	1.7
117.01942	2.9
129.01926	1.5
133.02913	0.6
136.17996	0.5
146.06113	1.2
154.85539	0.7
157.01326	1.0
175.02425	2.2
205.07155	0.8
231.05122	2.0
249.06136	14.3
267.07227	1.7
291.11020	0.7
333.11871	2.3
351.12927	68.7
352.13193	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01374	16.6
65.01960	0.6
67.01884	0.8
68.99807	1.0
69.03446	1.1
69.27457	3.4
71.01383	11.2
72.99298	2.9
73.02931	1.6
75.00869	16.8
81.70761	0.7
85.02952	17.3
87.00877	7.1
89.02443	4.0
93.03450	1.2
95.01367	3.5
98.22629	1.0
99.00880	9.1
101.06076	100.0
102.06418	2.5
103.00362	1.6
113.02444	22.5
115.00376	1.8
117.01929	1.6
120.38481	0.6
129.01970	0.7
157.01378	0.8
175.02467	3.3
191.05586	0.8
205.07004	0.8
226.99184	0.7
231.05116	2.3
249.06140	16.2
250.06514	0.9
267.07220	1.8
291.10828	1.4
333.11807	3.2
342.64392	0.7
351.12924	90.6
352.13351	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.0
57.03447	2.9
57.62389	1.2
59.01077	2.0
59.01377	40.5
69.03461	9.6
70.23219	3.1
70.83768	1.7
71.01377	49.6
73.02946	19.1
75.00857	5.3
83.01381	8.3
84.11874	1.7
85.02950	32.4
87.00872	4.5
89.02431	6.3
93.03455	4.9
95.01391	4.2
97.02968	1.5
99.00885	6.9
99.73788	1.2
99.78161	1.2
101.02438	46.5
101.06079	24.2
101.89973	1.2
105.03442	1.9
113.02447	57.8
114.02800	2.2
114.82591	1.3
123.04462	2.2
129.01881	1.4
133.02953	12.4
137.02515	1.7
143.03497	1.9
149.02412	1.4
159.02910	5.1
161.04550	35.1
173.04549	15.6
177.01875	5.2
191.05591	2.5
219.39200	1.3
237.09767	100.0
238.10133	4.9
249.06239	1.7
275.13599	1.4
351.12976	23.6
351.16849	1.4
352.13400	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59535	1.7
55.01863	2.8
57.03428	2.8
59.01076	2.7
59.01374	42.7
63.70323	1.5
65.18044	1.7
67.70720	1.6
68.88780	1.4
69.03450	5.8
69.03821	1.5
69.88752	4.3
69.92621	1.5
70.89451	1.7
71.01015	2.8
71.01379	42.3
71.97414	1.4
71.99866	1.6
72.99308	3.1
73.02941	15.0
75.00875	13.0
76.16664	2.1
83.01380	6.5
85.02952	32.5
85.73297	1.5
87.00879	8.2
89.02435	5.8
93.03445	2.1
95.01370	9.8
99.00887	10.7
101.02435	37.6
101.06078	55.9
102.02764	2.3
113.02445	62.5
129.01944	2.0
133.02928	10.4
143.03535	2.3
159.03001	3.4
161.04547	29.7
169.04932	1.9
169.08698	1.7
173.04521	7.1
177.01903	4.5
191.05583	3.5
228.19057	2.1
230.99159	1.6
237.09775	100.0
238.10159	4.8
249.06158	4.6
267.07184	3.1
330.77209	1.8
333.11844	1.8
351.12924	67.3
351.17154	3.8
352.13306	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76848	0.5
57.03442	2.4
59.01083	1.0
59.01379	19.4
61.98835	1.1
67.01893	1.5
68.99815	1.0
69.03439	0.6
70.15421	1.5
71.01380	13.5
71.78803	0.5
72.99303	3.9
73.02940	2.0
75.00869	14.2
83.01388	0.7
83.05042	0.6
85.02947	19.4
87.00871	7.2
87.96488	0.5
89.02435	4.1
93.03444	2.9
95.01398	4.4
97.02957	0.8
99.00881	8.6
99.31723	0.5
99.92570	1.0
100.92604	0.9
100.93367	1.0
101.02445	1.3
101.06078	100.0
101.93385	1.7
102.06422	3.3
103.00388	1.3
108.04636	0.6
109.02895	0.7
111.00877	0.6
111.04510	1.0
112.43568	0.6
113.02444	19.5
115.00381	2.0
115.92078	1.8
116.92081	1.6
116.92867	4.4
117.01946	2.5
117.92875	4.2
118.06673	0.7
121.02995	0.8
127.04031	0.7
127.18091	0.5
129.01944	1.3
133.02951	3.7
135.04539	1.4
138.05681	0.6
166.05141	0.8
167.05896	0.5
168.06627	0.7
173.04521	4.0
175.02498	2.0
177.01968	2.2
179.03456	0.7
186.50357	0.5
189.04065	0.6
191.05606	4.9
205.07170	1.3
209.09985	0.5
215.05615	0.6
231.05109	1.5
249.06134	14.6
250.06567	1.0
267.07230	2.2
288.99753	1.1
307.13068	1.7
311.41776	0.5
333.11871	2.5
339.05066	1.0
351.12933	75.2
352.13391	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88092	0.4
52.31709	0.5
54.27649	0.5
55.01873	0.8
57.03444	2.7
59.01379	15.0
67.01886	1.1
68.99790	0.9
69.03452	1.2
69.29832	1.7
69.30230	0.9
71.01382	14.4
72.99321	3.4
73.02946	1.6
75.00873	16.8
83.01397	0.9
85.02949	16.7
87.00874	6.1
89.02441	3.1
93.03474	2.2
95.01391	5.5
99.00886	10.5
101.06081	100.0
102.06373	2.3
103.00400	1.4
105.03459	0.8
109.02969	0.7
111.04539	0.9
113.02451	21.7
115.00368	1.9
117.01955	2.7
129.01936	2.0
131.21393	0.5
133.02971	5.9
135.04523	0.6
140.46625	0.5
150.03180	0.5
173.04591	3.6
175.02509	2.6
177.01923	2.1
191.05615	5.7
194.98686	0.5
205.07150	0.6
215.05562	0.8
231.05098	2.2
249.06136	16.0
250.06424	0.6
267.07193	2.0
289.46506	0.5
291.11081	1.1
333.11905	3.4
339.04892	0.8
351.12939	85.0
352.13284	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03438	2.3
59.01376	19.6
67.01889	0.9
69.03467	1.2
69.63101	2.2
70.09553	0.6
71.01385	13.5
72.99305	4.0
73.02947	2.8
74.16240	0.6
74.80190	0.6
75.00870	15.1
84.98705	0.6
85.02949	16.1
87.00884	5.4
89.02444	3.4
93.03465	3.8
95.01379	4.4
95.18665	0.7
97.02989	0.8
99.00883	9.9
101.02446	3.2
101.06081	100.0
102.06446	1.8
103.00388	1.5
103.36057	0.6
105.03477	1.0
109.02921	0.8
111.00854	0.9
111.04532	0.7
113.02448	23.8
115.00370	1.7
117.01929	2.4
129.01933	2.1
130.62048	0.7
133.02968	7.2
135.04532	1.7
146.06102	12.2
161.04510	1.3
173.04544	4.4
175.02472	2.8
177.01909	3.1
190.05110	2.2
191.05585	6.4
206.96999	0.7
212.05623	0.9
215.05719	1.2
224.96788	0.7
231.05122	2.1
236.16498	0.7
237.09830	3.7
249.06158	15.4
250.06500	1.1
267.07196	0.9
280.15356	0.8
333.11908	2.3
334.12799	0.6
337.03537	0.9
339.05109	1.4
351.12927	67.6
352.13297	5.0
352.17691	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	351.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36665	1.6
56.80439	1.4
59.01374	7.3
60.76263	1.5
61.98829	4.4
71.41591	2.0
88.03545	2.1
88.04031	10.2
96.02177	3.4
96.96012	16.8
99.92585	4.7
115.25428	1.6
115.92084	1.9
116.92855	6.0
122.10427	1.6
123.00853	1.6
124.01635	5.6
132.91098	1.7
133.02954	7.2
152.01143	7.6
166.02695	2.7
171.40329	1.6
173.04558	1.6
177.01974	3.1
193.16727	1.6
265.18036	4.7
269.21170	3.3
293.17639	100.0
293.21121	6.7
294.17929	10.4
350.27130	2.5
351.12738	4.7
351.17557	4.9
351.27383	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79319	15.4
59.01363	56.2
60.81565	17.1
61.98816	16.1
69.60848	38.7
69.61208	36.7
76.68557	17.2
93.03452	44.8
106.70023	18.9
125.04020	19.6
133.02928	100.0
135.04536	37.5
153.74690	16.6
164.88176	16.3
173.04465	29.5
177.01849	32.3
179.03517	20.9
186.95647	15.9
191.05576	78.0
192.95860	65.8
215.05588	34.2
266.42911	16.5
273.64554	18.6
275.92380	21.2
351.07178	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03432	1.2
59.01379	100.0
60.01711	1.3
60.99306	0.7
64.88799	0.5
67.01888	2.5
68.04110	0.5
68.71040	0.5
69.03469	2.1
70.03023	0.6
70.33515	1.2
71.01379	14.1
72.99324	1.4
73.02950	5.2
77.03995	1.2
81.03477	0.9
83.01402	1.5
83.05035	0.9
85.02950	8.9
87.00870	5.1
87.04516	4.0
89.02439	4.3
93.03457	16.1
94.03853	0.6
95.01401	1.5
95.05035	2.1
97.02971	0.8
99.00908	2.1
99.04543	0.7
101.02447	10.8
103.04025	1.1
105.03461	5.6
107.05035	1.2
109.02958	4.8
111.04505	3.2
113.02452	13.4
115.00408	1.0
117.03476	0.7
119.03527	2.3
120.08148	0.7
121.02958	1.0
123.04575	1.7
125.02494	1.0
125.80991	0.6
127.04047	0.9
129.58446	0.6
133.02956	33.4
134.03319	1.9
135.04507	8.8
137.02516	0.7
143.03584	0.8
150.03244	1.9
151.04041	0.8
152.95975	0.9
153.05525	0.7
155.03539	1.3
159.03012	1.5
161.02455	1.5
161.04549	12.1
161.05843	0.8
162.04921	0.6
169.08713	7.6
173.04544	17.0
174.04961	1.0
177.01935	13.7
178.02585	0.6
179.03575	2.8
179.05606	1.0
182.02216	1.0
182.08244	0.6
189.11348	0.9
191.05606	27.1
192.05992	0.9
197.04514	3.0
215.05617	13.2
216.06139	0.9
237.09796	20.7
238.10231	1.4
266.13959	1.1
287.14948	0.5
291.14490	9.0
295.06177	0.8
307.08276	1.3
330.61801	0.6
339.05215	1.5
351.07343	8.3
351.12457	1.8
351.16458	5.2
352.07736	1.1
352.17606	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03432	1.2
59.01379	100.0
60.01711	1.3
60.99306	0.7
64.88799	0.5
67.01888	2.5
68.04110	0.5
68.71040	0.5
69.03469	2.1
70.03023	0.6
70.33515	1.2
71.01379	14.1
72.99324	1.4
73.02950	5.2
77.03995	1.2
81.03477	0.9
83.01402	1.5
83.05035	0.9
85.02950	8.9
87.00870	5.1
87.04516	4.0
89.02439	4.3
93.03457	16.1
94.03853	0.6
95.01401	1.5
95.05035	2.1
97.02971	0.8
99.00908	2.1
99.04543	0.7
101.02447	10.8
103.04025	1.1
105.03461	5.6
107.05035	1.2
109.02958	4.8
111.04505	3.2
113.02452	13.4
115.00408	1.0
117.03476	0.7
119.03527	2.3
120.08148	0.7
121.02958	1.0
123.04575	1.7
125.02494	1.0
125.80991	0.6
127.04047	0.9
129.58446	0.6
133.02956	33.4
134.03319	1.9
135.04507	8.8
137.02516	0.7
143.03584	0.8
150.03244	1.9
151.04041	0.8
152.95975	0.9
153.05525	0.7
155.03539	1.3
159.03012	1.5
161.02455	1.5
161.04549	12.1
161.05843	0.8
162.04921	0.6
169.08713	7.6
173.04544	17.0
174.04961	1.0
177.01935	13.7
178.02585	0.6
179.03575	2.8
179.05606	1.0
182.02216	1.0
182.08244	0.6
189.11348	0.9
191.05606	27.1
192.05992	0.9
197.04514	3.0
215.05617	13.2
216.06139	0.9
237.09796	20.7
238.10231	1.4
266.13959	1.1
287.14948	0.5
291.14490	9.0
295.06177	0.8
307.08276	1.3
330.61801	0.6
339.05215	1.5
351.07343	8.3
351.12457	1.8
351.16458	5.2
352.07736	1.1
352.17606	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88785	0.5
59.01377	100.0
60.01714	1.0
69.60727	1.7
69.61139	1.4
71.01390	0.6
93.03463	2.8
98.21856	1.1
99.00893	0.6
101.02479	0.7
121.43355	0.6
122.82883	0.6
133.02950	3.1
134.09705	0.6
135.04556	1.1
173.04524	3.1
176.04097	0.6
177.01929	1.4
191.05667	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	351.1705
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01372	18.6
61.98827	7.4
70.80193	5.6
95.05061	8.0
102.86526	4.0
107.81943	4.9
118.37323	4.3
121.77483	4.3
128.87845	9.2
133.02969	13.0
192.13217	5.1
192.95813	12.0
195.13951	9.0
246.12300	7.6
260.91144	4.4
278.11386	7.3
293.21222	36.8
314.07898	5.4
315.25363	13.4
322.69522	4.9
351.00357	5.9
351.12720	4.9
351.17047	100.0
352.17404	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59589	20.5
59.01383	100.0
61.98828	23.5
69.93620	45.7
69.93946	22.4
79.82635	22.2
91.43101	20.3
96.96007	20.6
103.09424	29.0
109.59521	20.6
124.86499	23.9
133.02948	28.5
175.04013	21.3
206.83324	25.3
231.10382	25.3
240.81894	21.2
339.01202	23.1
340.14706	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.2
61.98821	2.6
69.53940	3.4
69.96965	1.5
72.02173	2.5
73.02935	2.1
87.04519	19.9
92.92865	2.0
96.96017	21.5
98.21880	3.3
116.92841	2.4
121.43961	2.3
123.00912	2.6
124.01628	4.2
133.02953	4.2
137.20747	1.7
137.36113	1.8
139.07658	3.0
152.01164	6.6
155.14430	3.3
177.01994	2.1
263.23779	9.6
265.17896	3.0
277.25296	3.3
279.23349	3.2
289.25412	4.2
293.17606	100.0
293.21085	5.0
294.17920	11.5
307.23032	2.7
307.26422	40.1
308.26715	5.3
351.13348	3.6
351.17831	4.9
353.65829	1.8
367.59210	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	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98825	100.0
62.62985	0.4
70.97694	0.5
71.01376	1.0
73.02944	0.6
75.00875	0.7
76.95954	0.4
85.02944	2.5
87.00880	0.9
91.08717	0.4
93.03468	0.9
99.00900	0.9
101.06068	5.1
102.06396	2.3
109.03066	0.4
113.02447	0.7
114.02777	0.5
133.02950	0.5
144.04576	0.7
146.06116	13.8
173.04649	0.4
190.05051	2.9
191.05602	14.2
203.04942	0.4
287.69519	0.5
294.78250	0.4
339.05029	0.7
352.13434	2.9
361.38181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.84303	0.4
61.98827	100.0
67.01890	0.8
69.75489	0.9
71.01385	1.3
85.02949	4.1
87.00873	0.7
93.03456	3.7
96.33299	0.5
101.06091	1.2
109.02982	0.5
111.04541	1.0
127.04013	1.0
133.03009	0.9
135.04514	6.3
144.04578	1.5
146.06111	37.4
147.06476	1.5
154.96651	0.5
156.50780	0.5
161.02440	0.8
161.04585	0.5
171.03052	0.6
173.04517	8.2
179.03503	4.9
179.07695	0.5
190.05090	6.7
191.05600	42.5
210.62848	0.5
352.10233	1.0
353.08990	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	352.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64766	0.2
59.01369	0.3
71.01374	0.8
78.62179	0.3
82.47884	0.2
85.02952	0.7
101.02420	0.3
107.86987	0.3
109.22321	0.2
131.03757	1.8
144.04555	6.9
146.06111	100.0
147.06454	4.2
158.15302	0.3
161.04553	1.1
190.05087	17.7
191.05589	6.7
191.07321	0.4
201.76929	0.3
308.11401	1.0
352.10303	4.0
352.17215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1036
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
59.01363	0.1
62.84244	0.1
69.36199	0.3
71.01373	0.6
73.02961	0.2
85.02940	0.3
86.97540	0.1
98.22604	0.1
101.02436	0.5
113.02458	0.4
118.03011	0.1
118.06670	0.1
131.03752	1.9
132.04185	0.1
144.04553	6.1
145.04945	0.3
146.06117	100.0
147.06467	4.7
154.54410	0.1
161.04562	1.2
188.03564	0.2
190.05095	18.5
191.05490	1.7
308.11398	1.0
324.49088	0.1
352.10324	4.2
353.10736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1035
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.48608	0.3
69.46456	0.6
69.46803	0.5
71.01373	0.6
71.59058	0.2
85.02940	0.6
98.21860	0.5
101.02448	0.4
113.02412	0.3
131.03766	1.5
131.26021	0.3
144.04546	6.5
146.06117	100.0
147.06474	3.7
161.04526	0.8
190.05095	14.9
191.05576	2.8
211.25603	0.2
223.57784	0.3
283.30173	0.3
308.11316	0.6
352.10312	3.3
353.10696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28085	0.2
58.89996	0.2
59.01362	0.3
59.53632	0.2
64.26093	0.2
69.40396	0.9
71.01379	0.9
77.19188	0.2
85.02945	1.1
87.00904	0.3
92.52428	0.2
93.03481	0.6
101.02444	0.2
101.56242	0.2
113.02464	0.2
127.04057	0.3
130.34850	0.2
131.03781	1.3
144.04549	6.2
145.05069	0.4
146.06122	100.0
147.06465	4.2
161.04547	1.1
171.19907	0.2
180.69116	0.2
190.05095	16.8
191.05612	12.9
221.60457	0.2
233.64667	0.2
252.37386	0.2
279.36972	0.2
308.11475	0.8
352.10385	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	352.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14615	0.5
55.12357	0.5
58.02960	1.7
61.98832	0.8
63.19193	0.5
69.67483	0.5
73.02946	6.4
80.51369	0.5
82.02977	1.1
83.04998	0.7
84.04568	1.3
85.02948	1.8
85.06605	0.9
93.03448	1.2
94.02982	0.6
96.04543	7.0
102.98575	0.8
105.03470	0.6
106.04260	1.2
108.04591	0.9
110.06147	0.7
111.04542	1.2
111.08121	0.7
113.02463	0.7
121.06600	7.6
133.02925	0.6
134.03569	0.5
135.04605	1.3
137.06099	1.5
138.09251	8.0
139.07654	0.5
142.12378	4.1
143.12573	0.5
151.07619	1.1
164.07164	13.0
168.10281	4.6
173.04486	0.8
177.42947	0.5
179.03496	1.2
182.08200	6.1
183.08594	0.7
184.13422	0.9
186.11443	2.8
191.05630	6.3
209.68062	0.6
220.13426	0.7
224.27641	0.6
246.18558	0.6
290.17670	6.7
291.18057	0.6
306.17227	0.7
308.18646	6.7
309.18985	0.9
316.15527	2.0
334.16595	16.0
335.16971	2.1
352.17636	100.0
353.18005	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	352.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55006	10.3
53.59916	9.5
69.45230	33.2
70.63129	10.0
71.37813	8.4
79.95700	10.1
91.36953	7.3
96.95992	68.1
117.40580	12.3
191.05595	84.6
293.21222	34.9
294.21466	34.8
346.26642	10.2
353.08661	10.1
353.16229	13.3
353.20242	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	352.262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91333	5.3
59.01361	9.9
61.98814	15.6
70.62788	9.3
78.95898	60.9
85.02948	9.6
127.04034	5.0
152.99591	100.0
183.01207	10.3
191.05614	86.0
194.92686	7.2
194.95551	6.5
264.03650	5.9
352.91739	7.8
353.17700	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.8
61.98827	3.2
68.21761	1.5
69.57345	6.4
78.95901	69.6
85.02948	2.5
96.96025	2.0
96.96942	5.9
113.69635	1.6
134.03542	1.6
150.98058	2.2
152.91742	4.7
152.99580	100.0
161.02507	1.7
173.79001	1.6
176.48434	1.6
179.79738	1.9
191.05624	25.8
193.88354	2.1
194.92764	3.0
194.95580	2.9
195.31300	1.6
199.17036	4.0
204.89882	1.7
209.49339	1.9
211.58745	2.2
310.90570	2.1
314.24347	2.1
353.17383	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	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.07234	0.4
50.36733	0.4
59.01378	3.8
59.73340	0.3
67.01867	0.4
67.15166	0.4
67.58760	0.4
69.46538	0.6
69.46935	1.0
71.01375	1.3
73.02934	0.6
78.55180	0.5
81.69033	0.3
83.05006	0.5
85.02950	6.8
87.00876	1.8
89.02441	0.5
93.03447	5.4
97.32848	0.4
99.04499	0.7
101.02438	0.5
109.02962	0.5
111.04527	1.5
113.02434	0.5
127.04002	1.9
133.02945	0.5
134.03741	1.7
135.04523	15.1
136.04845	0.7
143.03506	1.5
155.03473	1.0
161.02440	2.3
161.04568	1.3
171.02939	0.5
173.04520	6.2
179.03488	14.8
180.03851	0.9
191.05600	100.0
192.05894	3.6
310.96805	0.6
352.97784	0.6
353.08701	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01365	1.6
69.03469	0.3
69.88876	0.3
69.89191	0.4
71.01371	0.5
73.02925	0.3
81.03455	0.2
81.50711	0.2
85.02950	7.3
87.00887	1.6
93.03461	3.0
99.04501	0.3
101.02415	0.3
109.02962	0.5
111.04505	1.2
117.10170	0.2
118.26882	0.2
127.04005	1.7
133.02971	0.9
134.03697	0.3
135.04526	2.0
147.06461	0.2
161.02448	2.2
171.03009	0.6
173.04559	1.3
176.57080	0.2
179.03520	1.9
191.05612	100.0
192.05966	4.9
229.77840	0.3
275.04971	0.2
339.05035	0.4
340.05466	0.4
353.08716	1.8
353.17844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04082	0.2
57.03415	0.4
58.92247	0.3
59.01380	1.2
67.01872	0.4
67.81263	0.3
69.22295	0.5
69.22702	0.9
69.32892	0.2
71.01353	0.4
73.02943	0.3
81.05003	0.2
85.02944	7.1
87.00881	1.5
93.03460	2.7
94.03825	0.3
99.04513	0.5
109.02934	0.6
111.04515	0.7
112.45058	0.2
115.98196	0.2
127.04004	2.3
133.02928	0.3
135.04509	1.9
161.02396	1.3
166.10759	0.2
170.09019	0.3
171.02968	0.3
173.04538	2.4
179.03487	2.0
181.56125	0.2
191.05602	100.0
192.05960	3.5
353.08847	1.6
354.19116	0.5
363.81833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
67.01895	3.5
69.03465	1.0
69.96379	1.4
69.96709	1.2
71.01362	2.9
81.03450	1.2
83.05023	1.7
85.02949	7.1
87.00880	1.7
93.03456	25.7
107.05006	1.3
109.02934	2.7
109.90380	0.6
111.00891	0.7
111.04533	5.8
113.02471	0.7
127.04008	2.9
133.02951	1.9
134.03732	3.4
135.04524	73.1
136.04863	3.1
137.02435	5.6
146.72585	0.7
155.03482	6.2
161.02432	4.5
173.04538	100.0
174.04855	3.3
179.03488	65.8
180.03864	3.3
191.05605	52.7
192.05913	2.0
312.01248	0.7
353.08725	13.4
354.08942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
67.01907	0.5
69.96860	0.7
69.97206	0.3
71.01373	0.9
81.03458	0.5
83.04994	0.3
85.02947	8.6
87.00875	1.8
92.77857	0.2
93.03458	3.3
99.04510	0.3
109.02939	0.7
111.04503	1.3
127.04006	2.3
129.05632	0.3
133.02950	0.5
135.04500	1.8
151.73221	0.3
153.21663	0.2
155.03453	0.3
161.02409	1.5
171.03012	0.6
173.04575	1.9
179.03510	1.4
191.05603	100.0
192.05937	3.9
353.08633	1.1
353.22244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.31181	0.2
57.03435	0.2
57.55827	0.2
59.01377	1.7
69.13055	1.3
71.01374	0.8
81.03459	0.2
83.05019	0.4
85.02948	7.4
87.00880	1.8
93.03461	2.8
96.96018	0.4
97.28569	0.2
99.04527	0.3
109.02917	0.3
111.04534	1.0
119.32585	0.2
121.02962	1.2
125.65633	0.2
127.04013	1.5
133.02966	0.6
135.04515	1.8
136.04837	0.3
137.02469	0.2
155.03421	0.3
161.02458	1.4
171.03017	0.4
173.04533	1.5
179.03505	1.3
189.09198	0.3
191.05609	100.0
192.05960	4.2
204.02686	0.2
209.05719	0.2
233.08270	0.2
353.08798	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	353.0875
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03429	0.5
59.01368	1.5
67.01873	0.4
68.99825	0.6
70.54539	0.3
71.01376	1.2
71.53326	0.4
81.03425	0.5
83.04995	0.9
84.18679	0.4
85.02946	7.8
87.00867	1.6
91.05519	0.8
93.03455	4.8
96.96001	0.5
107.05020	1.5
109.02940	1.1
111.04498	2.3
113.02420	0.7
117.03468	0.9
127.04045	1.9
133.02960	1.0
134.03740	5.3
135.04518	59.7
136.04829	2.7
137.02370	0.5
140.07384	0.4
149.06039	0.7
155.03467	1.2
161.02451	3.9
171.02927	0.8
173.04541	5.4
179.03487	50.9
180.03792	2.2
191.05597	100.0
192.05963	4.5
219.08981	0.4
244.89919	0.4
261.28094	0.4
353.08737	19.0
354.09210	1.3
373.24402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.29136	0.3
56.24219	0.2
57.03450	0.4
59.01381	2.9
67.01875	0.5
70.49942	0.5
70.50355	0.2
71.01382	1.0
73.02950	0.3
79.61465	0.3
83.05015	0.4
85.02951	6.7
87.00866	1.4
93.03461	4.0
96.95982	0.6
100.00414	0.5
101.94373	0.2
108.02232	0.5
109.02937	0.8
111.04531	1.2
127.04002	1.6
133.02914	0.6
134.03764	0.5
135.04527	4.9
136.04848	0.5
137.02437	0.4
138.54665	0.3
149.06076	5.7
155.03485	0.4
161.02444	1.8
164.03552	0.7
171.02893	0.4
173.03081	0.4
173.04535	6.5
174.04929	0.3
179.03487	4.8
180.03848	0.4
191.05608	100.0
192.05942	4.0
203.08305	0.3
229.06189	0.6
251.07002	0.5
272.11530	0.6
279.06720	0.5
289.76450	0.3
294.08917	0.3
323.05460	0.8
338.07953	1.1
353.09195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.7
63.91562	1.0
64.34602	1.0
68.49738	0.9
69.70934	1.0
70.52700	1.9
71.01381	17.2
71.05045	1.2
73.02944	24.7
81.03465	2.6
83.05029	6.8
85.02937	4.6
89.02442	26.9
89.06702	0.8
93.03459	53.3
94.03788	1.9
99.00879	8.1
99.04527	5.8
100.41872	1.0
101.02465	5.0
111.04519	23.8
113.02453	5.3
119.03491	3.0
129.01932	2.8
131.03403	1.3
137.02443	16.3
143.03502	4.1
149.04495	1.2
155.03493	10.7
161.04463	1.6
173.04547	100.0
174.04860	3.9
179.05585	8.3
229.18092	1.1
353.10760	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	353.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.7
63.91562	1.0
64.34602	1.0
68.49738	0.9
69.70934	1.0
70.52700	1.9
71.01381	17.2
71.05045	1.2
73.02944	24.7
81.03465	2.6
83.05029	6.8
85.02937	4.6
89.02442	26.9
89.06702	0.8
93.03459	53.3
94.03788	1.9
99.00879	8.1
99.04527	5.8
100.41872	1.0
101.02465	5.0
111.04519	23.8
113.02453	5.3
119.03491	3.0
129.01932	2.8
131.03403	1.3
137.02443	16.3
143.03502	4.1
149.04495	1.2
155.03493	10.7
161.04463	1.6
173.04547	100.0
174.04860	3.9
179.05585	8.3
229.18092	1.1
353.10760	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	353.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42412	0.9
59.01378	100.0
60.01692	1.8
71.01376	2.6
71.43710	1.1
73.02928	1.4
80.35191	1.1
84.47052	1.0
85.02979	1.7
91.12363	1.2
93.03471	1.6
96.96014	3.5
101.02435	1.5
107.05038	10.2
113.02396	1.6
135.04544	7.2
137.02370	1.2
150.06804	1.2
153.61613	1.1
161.13312	6.8
169.43732	1.0
173.04578	2.5
179.03490	2.9
191.05603	13.5
205.12338	26.4
206.12637	2.1
223.13391	1.4
249.11253	3.1
269.45242	1.1
273.11160	1.5
353.06915	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	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	53.5
69.30888	21.4
70.52499	3.7
83.05077	3.6
85.02948	8.4
85.43485	4.2
93.03431	13.5
96.96008	21.9
97.06619	4.0
99.14629	4.4
133.02965	4.5
135.04552	21.7
136.04889	4.7
137.02428	4.8
137.37093	3.9
161.02374	4.7
172.05325	5.8
173.04556	29.3
174.04907	4.1
179.03461	20.5
187.07603	19.0
191.05606	100.0
205.12302	17.4
213.09267	4.7
215.07098	4.7
224.06842	5.6
229.08780	4.4
231.10313	8.5
257.08179	8.7
275.09177	8.8
301.97009	4.7
308.53683	4.1
353.19974	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	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07542	1.8
59.01379	100.0
60.01721	1.8
69.08295	6.2
69.08711	5.2
71.01376	4.3
73.02921	2.6
85.02959	3.1
93.03473	2.7
96.96013	3.3
113.02431	1.8
135.04604	9.8
136.04901	6.2
137.28697	1.5
154.43448	1.5
161.13342	9.1
173.04582	2.4
179.03407	5.3
180.03912	1.9
191.05608	10.5
205.12355	26.1
249.11359	3.7
333.31921	1.7
353.06979	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	353.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
85.02951	6.0
93.03448	3.2
96.95995	7.1
98.22775	3.1
135.04527	8.5
147.53102	3.1
161.13394	7.8
173.04590	6.6
179.03488	3.5
190.99094	3.4
191.05620	28.7
205.12323	38.6
370.74109	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	353.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
58.07125	1.0
59.01377	4.5
65.36988	0.9
67.01883	2.3
68.99808	2.3
69.03453	26.4
69.28296	5.0
71.01383	2.7
73.02932	2.9
79.05524	1.1
81.03479	7.4
83.05042	2.7
85.02953	8.1
87.00887	1.9
91.45322	0.9
93.03452	5.9
94.04263	1.2
95.05022	5.6
96.26115	1.0
97.02951	88.2
98.03279	2.2
99.00884	3.0
99.04510	1.8
101.02409	6.1
101.15533	1.1
107.05028	19.4
107.08661	3.6
109.02932	2.1
109.06603	10.3
111.04508	7.6
119.04993	1.1
120.18118	1.1
121.06590	2.6
122.03728	2.1
123.04520	1.4
123.08212	1.8
128.86775	0.9
133.02939	1.4
133.06592	2.7
134.03720	2.5
134.07358	3.6
135.04533	13.1
135.08165	3.0
137.02466	1.5
137.06082	4.3
139.04022	1.2
145.10236	3.7
147.08180	5.2
147.11778	1.8
148.05322	1.6
149.02458	1.1
149.09721	100.0
150.10042	6.4
151.07654	11.1
153.04439	1.6
153.05588	18.3
161.02472	1.6
161.09737	1.5
163.11288	20.9
167.10773	8.8
173.04597	5.3
176.04187	1.2
179.03499	9.5
185.13376	2.3
187.07578	1.1
191.05621	47.6
192.05916	2.3
193.08685	34.7
194.09015	1.7
203.14406	23.4
204.14767	1.7
207.10289	11.3
211.09698	4.9
221.08319	1.3
229.12500	1.3
247.13405	10.0
251.09267	17.0
255.08685	14.5
291.12369	5.9
291.17691	1.2
309.19095	1.3
335.11319	2.9
340.99078	1.0
342.75449	1.2
352.22034	1.1
353.12369	56.6
353.17804	13.9
353.22104	2.5
354.12750	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	353.1731
Annotation	1-dodecanoyl-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.48835	0.3
55.31881	0.4
59.01384	0.6
60.62461	0.4
61.98823	1.1
70.76832	0.4
78.95899	71.9
82.15305	0.3
85.02954	0.6
96.96959	5.4
127.04028	0.4
145.03632	0.4
150.98044	1.4
152.91733	0.8
152.99579	100.0
153.99927	1.4
171.00580	2.6
178.13664	0.4
183.01241	0.9
187.47066	0.4
191.05602	8.4
194.92841	0.5
194.95535	0.6
195.93239	0.5
199.17017	4.3
234.68045	0.3
242.77876	0.4
344.03381	0.4
353.17398	15.7
354.17798	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1862
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01358	4.4
61.98839	9.9
65.93122	2.8
69.19722	16.8
75.00860	4.1
85.02952	6.4
113.62212	2.6
113.85368	3.0
173.04575	3.3
189.02562	3.0
191.05612	89.2
191.07323	5.1
194.95674	4.6
195.13866	13.1
234.31290	2.9
277.21793	9.7
295.22769	39.2
296.23074	3.9
353.18607	100.0
354.18842	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	353.1863
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
50.36263	1.2
56.70705	1.0
58.85353	1.3
66.65232	1.1
71.41121	1.0
75.00866	1.3
80.23404	1.1
85.02905	1.7
96.96025	7.6
127.11287	1.7
135.04538	2.3
141.12860	12.6
155.14366	5.2
155.15515	1.2
163.11246	3.0
190.88319	1.1
191.03909	1.8
191.05586	20.1
227.82385	1.1
249.22212	14.2
277.21643	1.4
295.22757	100.0
296.23193	8.7
319.03815	1.2
353.18518	61.9
354.18967	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	353.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05777	1.2
56.75514	1.1
59.13205	1.0
63.14593	1.0
79.95738	9.9
85.51184	1.1
87.91774	1.3
95.95193	1.5
96.96011	80.3
110.02863	1.2
111.13219	1.2
122.97597	3.7
128.47307	1.4
140.92882	1.4
163.11287	3.7
177.09219	2.0
191.05624	5.0
197.25877	1.4
197.61667	1.2
334.28033	1.3
353.20029	100.0
354.20264	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	353.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
64.97012	1.0
71.10330	0.8
79.95742	11.3
85.02956	0.7
91.00305	0.7
93.09381	0.7
94.98064	1.2
95.95239	2.9
96.96014	89.0
99.37998	0.6
122.97571	4.7
134.29691	0.8
138.12833	0.7
139.31964	0.6
179.03442	1.0
191.05634	6.9
240.35440	0.7
279.23315	9.1
280.23651	0.9
286.31125	0.7
319.21793	0.9
333.15543	0.8
353.20035	100.0
353.27100	2.6
354.20416	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
61.06285	0.1
62.55893	0.2
63.22152	0.1
69.79093	0.3
69.79420	0.3
79.95755	0.2
83.76082	0.2
85.02943	0.2
87.90169	0.2
96.60508	0.1
96.95995	2.2
99.42501	0.1
107.04979	0.2
113.93627	0.2
122.97639	0.2
127.10964	0.2
147.08147	0.3
162.06755	0.2
163.11275	93.1
164.10213	0.2
164.11600	4.9
177.09193	71.3
178.09532	4.1
190.09991	0.6
191.05606	2.8
192.05902	0.2
222.08884	0.3
232.15782	0.2
306.43405	0.2
353.21179	100.0
354.21530	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	354.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.6
59.01374	46.9
61.98830	18.6
69.83697	18.6
71.01381	8.4
73.02946	7.6
85.02938	15.8
93.03478	8.8
98.21993	10.6
101.02462	8.3
114.83032	6.1
134.03746	10.1
167.91710	6.4
191.05608	100.0
192.05940	57.6
219.60800	6.1
354.19278	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87907	13.9
57.54267	16.4
59.01375	64.9
69.30364	61.4
73.02961	17.9
85.02941	23.7
98.44432	11.7
102.98586	36.8
103.62516	15.0
134.03754	25.7
135.04529	21.1
136.59993	13.3
149.06076	42.5
150.78830	15.6
151.07603	14.6
151.08771	42.4
173.04590	34.8
191.05586	100.0
191.07089	17.2
192.05962	61.5
193.04971	38.9
235.70866	16.4
246.03551	15.8
295.11703	15.4
310.23874	15.9
354.06616	26.1
354.18851	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.61936	0.5
70.74863	0.6
71.01387	0.8
71.05022	2.3
73.02947	28.3
80.05048	1.4
83.04998	0.5
85.02946	2.1
87.04526	1.2
90.36918	0.5
92.05047	0.9
93.03436	0.9
95.05049	1.0
98.03729	1.0
98.06106	0.8
111.04515	0.9
112.07682	0.6
114.05682	0.7
115.03995	4.1
121.84483	0.5
122.06075	0.6
122.09759	3.7
124.07703	0.9
135.04509	2.0
136.04871	2.6
136.07716	0.7
142.08755	1.2
146.09706	0.8
148.07687	1.7
166.08725	4.2
168.10316	0.9
173.04553	2.3
174.04892	1.2
179.03510	1.6
180.03824	2.8
191.05609	9.0
192.05940	7.6
192.55263	0.5
200.86681	0.6
218.15546	1.7
232.98428	0.6
234.14983	1.8
236.16644	0.7
237.63759	0.6
250.14423	1.8
252.16060	3.3
260.12888	0.6
262.14487	5.4
262.18680	0.6
274.18094	3.3
280.15530	22.2
281.15808	1.8
292.19171	11.4
293.19489	1.1
298.16562	4.9
299.17142	0.7
308.18655	0.6
310.20239	1.3
318.17117	2.7
336.18152	16.3
337.18585	1.1
354.09518	2.1
354.19208	100.0
355.19531	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86853	0.3
55.01872	0.8
57.03438	0.5
59.01358	0.7
66.03484	0.4
67.01891	0.4
69.03445	0.5
69.05180	2.2
71.05009	1.4
72.04552	0.8
72.30233	0.3
73.02945	12.7
78.25373	0.4
82.61668	0.3
83.05008	1.3
85.02939	1.8
85.06600	1.3
86.06100	1.3
87.04505	0.8
94.12733	0.3
95.05013	0.4
96.04527	0.8
97.02969	0.4
98.06100	1.0
98.21870	0.8
107.05038	0.4
109.06607	0.6
110.06125	0.7
111.04536	0.6
111.08134	0.7
112.04033	1.1
112.07673	0.6
115.04062	1.7
115.07608	0.4
120.08202	1.0
122.06113	2.3
122.09756	1.1
123.03307	0.6
123.08149	0.8
126.05597	2.1
126.09232	0.4
136.07677	0.6
138.05617	4.0
138.09192	1.7
140.10805	2.3
148.07654	0.8
151.07538	0.6
152.07204	0.6
164.10765	0.8
164.58144	0.4
166.08717	2.1
168.10268	2.8
169.08736	2.0
175.11324	0.4
176.14487	0.3
180.10292	0.4
185.12029	0.3
188.14455	0.4
191.05594	1.1
192.05971	0.7
194.11841	0.8
194.15460	0.4
199.13315	0.8
204.13814	0.4
206.15498	0.8
218.19086	0.8
220.13396	1.5
222.11397	0.4
222.14967	0.6
230.19130	0.4
234.15005	0.5
236.16580	0.8
238.14351	0.5
240.16043	1.1
240.33472	0.4
246.18596	0.6
248.20258	2.1
250.14453	0.6
262.18179	0.5
264.15970	0.6
266.10153	0.5
274.18097	2.4
292.19135	7.3
293.19443	0.7
310.20251	5.6
311.20538	0.6
336.18140	2.2
354.19202	100.0
355.19522	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	355.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99600	14.9
59.01374	3.8
74.99088	2.5
94.78799	0.5
102.98592	100.0
103.98972	0.8
120.99652	4.2
161.02440	2.6
162.02919	0.6
163.00705	2.9
175.04050	0.8
177.05573	2.2
179.03490	0.7
179.07175	0.7
195.01167	0.8
209.02789	2.4
210.03494	1.2
210.06895	0.5
219.26126	0.6
225.05847	9.3
226.06233	1.2
237.05553	0.9
237.07715	0.6
254.05876	1.9
266.05777	1.0
269.08374	0.5
281.08124	1.3
282.05386	0.7
310.04825	1.5
325.07150	6.3
333.88751	0.7
340.09482	3.9
355.11978	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	355.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64632	2.7
55.01877	4.1
57.03455	3.4
59.01378	75.0
70.64692	5.5
71.01376	14.8
73.02934	23.8
79.75933	2.6
83.01365	7.4
85.02969	10.7
86.00045	3.2
87.86748	2.7
97.02962	3.3
101.02448	44.8
104.82821	2.9
105.85871	2.8
113.02431	17.2
113.52772	3.2
117.98248	3.0
125.01639	3.9
125.02485	4.3
126.99570	10.0
131.08678	4.1
147.02975	4.6
167.06323	100.0
168.06575	4.5
181.00708	5.5
181.22716	3.0
211.05309	18.5
221.07321	4.6
225.06874	49.8
226.07120	2.9
235.09750	6.1
253.06349	24.7
282.01755	3.7
355.08832	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	355.1187
Annotation	Naphthgeranin B
Peak:m/z	Relative Intensity
52.78364	1.8
59.01373	1.6
59.07076	1.4
63.76410	1.6
67.06856	1.6
69.42057	5.9
77.98769	1.7
119.05037	4.4
125.09667	1.5
131.05025	2.4
134.97366	1.6
147.04521	14.9
149.02481	2.0
162.03238	1.8
175.04005	95.9
176.04773	53.4
177.05377	2.3
188.04822	2.7
189.05569	6.6
190.06361	38.0
191.06944	2.5
192.25613	1.5
204.04292	16.3
208.03729	11.5
217.05099	12.5
218.05821	9.6
219.06627	36.6
219.08670	2.9
221.05980	2.4
222.05296	21.5
223.05612	2.3
231.06712	2.3
234.07094	1.8
235.07645	5.2
237.05605	3.0
238.06464	2.2
249.05557	4.2
251.07089	5.2
266.09235	1.6
267.06638	11.0
268.07242	1.7
278.05817	2.5
279.06628	25.0
291.06583	10.0
294.09012	5.0
295.06180	29.5
296.06906	15.8
305.08057	2.8
306.05902	1.8
306.09018	6.3
307.06168	27.7
307.09534	3.4
308.06448	2.2
310.08517	18.1
311.09195	19.3
312.09610	2.9
321.07733	2.8
322.08469	18.4
325.07364	2.8
325.10831	30.2
326.11115	2.0
327.12204	2.2
337.10840	28.9
338.11087	3.1
355.11865	100.0
356.12265	10.2
356.18582	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	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.31581	3.5
61.98812	5.0
67.62598	3.7
69.05836	3.5
70.96233	5.8
88.39417	4.1
89.91872	3.7
111.16743	4.4
152.32855	3.9
181.51218	3.7
197.26657	3.6
207.13921	71.8
208.14140	4.6
225.13138	8.0
251.12872	10.1
295.22003	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	355.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67312	0.5
57.03442	0.5
59.01379	100.0
60.01720	0.8
68.74648	0.5
71.01384	5.0
71.41268	0.7
73.02956	2.5
81.20457	0.5
85.02958	2.7
94.10312	0.5
95.33121	0.5
97.02912	0.7
99.00861	0.7
99.26674	0.6
101.02450	2.5
102.98592	0.8
113.02464	2.4
131.04982	0.8
132.97328	0.6
133.06642	0.6
159.27928	0.6
161.04578	4.5
356.25821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
58.27433	1.1
58.99587	1.1
59.01380	100.0
60.01698	1.8
67.10117	1.1
70.10378	2.3
71.01373	5.8
73.02950	2.4
85.02959	2.5
92.99593	1.2
98.22546	1.1
99.00914	1.2
101.02434	2.5
102.98599	3.3
113.02463	2.7
133.70654	1.0
135.66843	1.3
136.15309	1.0
139.36687	1.1
159.02995	1.3
161.02534	1.1
161.04584	4.9
162.43398	0.9
175.03969	2.0
190.06410	1.4
191.05505	1.4
209.02721	1.6
223.36128	1.0
225.05975	3.0
279.06885	1.0
312.07169	1.1
325.10800	1.2
340.09564	1.2
355.08273	1.8
355.12216	1.6
355.16946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.26959	1.2
69.51829	2.5
69.52227	4.3
71.01385	8.0
73.02953	2.6
80.12812	1.3
85.02932	2.3
93.03490	1.4
97.02813	1.3
101.02496	1.9
102.98606	6.7
113.02448	3.3
114.72931	1.3
126.46392	1.3
128.28427	1.3
159.03090	1.6
161.04509	5.2
173.04509	1.5
176.04759	1.5
185.70134	1.4
329.34189	1.6
337.10611	1.6
355.11765	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	355.2014
Annotation	12-Methoxyajmaline
Peak:m/z	Relative Intensity
52.47586	2.6
53.30250	2.4
56.25113	2.7
61.98835	5.8
69.62023	4.9
69.62409	6.3
97.06599	2.7
98.40924	3.1
116.92839	3.4
119.58002	2.8
122.03746	2.9
135.04517	4.6
163.07590	3.6
163.11252	14.0
164.08502	3.6
177.09190	10.4
179.10747	15.5
183.01239	3.0
191.10745	3.9
214.43254	2.7
217.86223	2.5
251.23805	40.5
252.24072	3.7
265.19568	2.5
297.24335	100.0
298.15741	7.5
298.24738	9.3
328.28677	2.6
337.21649	6.8
340.20273	11.6
355.19757	62.1
356.20248	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.33743	0.4
61.98825	0.9
71.45100	0.8
73.47321	0.5
81.07064	0.6
85.02937	0.7
101.06066	0.6
107.05018	1.2
109.02937	0.5
111.00886	0.6
116.92901	0.6
117.90648	0.5
122.03725	8.2
135.04523	21.1
136.04916	0.7
147.08179	2.6
149.06076	1.9
149.09717	5.8
151.07634	1.0
154.02690	1.0
160.08865	0.5
161.09702	9.3
163.07655	3.1
163.11282	48.4
163.91728	0.5
164.08408	15.9
164.11557	2.6
165.09207	3.2
177.09203	65.5
178.09972	19.1
179.10767	100.0
180.11110	6.0
184.29605	0.5
187.11301	1.7
188.15681	0.5
191.10774	11.7
192.11191	0.5
193.08711	2.4
202.55130	0.5
237.17944	0.6
265.12256	1.2
279.13922	0.7
280.14813	3.3
281.15222	0.8
298.15738	44.1
299.16092	4.4
307.17038	1.5
309.22238	1.9
312.13715	0.7
313.21625	0.8
321.18564	1.2
322.19281	1.3
337.21725	50.4
338.22018	5.7
340.20413	87.4
341.20767	11.8
355.22784	84.8
356.23114	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
61.98823	2.6
62.12659	1.4
69.13527	6.7
70.87570	1.2
75.31126	1.2
105.07574	1.1
111.00906	1.4
147.08122	1.9
150.45967	1.2
163.11264	4.4
165.01958	1.5
193.63344	1.2
265.12177	2.0
280.14700	4.1
287.34967	1.5
297.15186	1.4
307.17227	2.0
321.18607	1.5
322.19281	2.7
337.21725	100.0
338.22040	14.0
355.22852	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	355.2277
Annotation	Dshamirone
Peak:m/z	Relative Intensity
61.98808	3.8
62.46256	1.7
68.23231	1.6
69.16855	8.5
110.01099	1.4
116.69177	1.6
133.10216	3.8
136.83524	1.8
163.11284	87.2
163.75311	1.6
164.11627	4.8
170.31749	1.6
179.10765	83.6
180.11098	3.3
215.35968	1.7
241.90767	2.1
311.25882	5.8
337.21616	5.5
355.03860	4.9
355.09232	2.1
355.22757	100.0
356.23029	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	356.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51416	0.8
59.01376	5.4
61.98828	100.0
62.70614	0.7
71.01390	3.1
74.55573	0.8
75.03989	0.7
85.02958	1.6
87.00895	1.1
89.02457	4.7
93.03446	0.9
95.07317	0.6
101.02419	1.6
107.05037	0.9
108.05336	0.8
109.02973	1.3
113.02453	2.3
114.05594	0.8
119.03488	1.7
121.03063	1.1
122.03338	1.1
123.04535	1.1
125.61749	0.7
131.03513	1.1
135.04512	1.0
151.04021	0.9
153.01816	2.2
153.05606	1.7
161.10161	0.7
167.03522	0.8
173.04495	1.3
174.04890	0.8
179.05653	3.9
182.05263	0.8
190.12378	1.3
191.05608	1.8
192.06071	1.1
193.06111	1.5
195.02928	0.8
213.02519	0.9
222.48454	0.8
241.83823	0.7
266.03519	1.2
276.07208	0.8
338.16150	3.7
356.10828	1.6
356.17026	4.6
356.98349	1.3
357.08871	1.3
357.17569	1.0
364.00150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19392	0.4
61.98828	100.0
71.17339	0.6
111.62269	0.5
121.02984	0.5
192.95889	0.5
234.94902	0.5
293.17844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61250	1.1
59.01399	1.0
59.14022	0.9
61.98827	100.0
64.26923	0.9
69.10590	6.7
103.11813	1.0
116.57436	1.2
139.31364	1.0
226.23621	1.1
259.82336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	16.8
61.54893	15.9
61.98804	55.6
69.12951	100.0
121.02931	31.4
192.95938	84.8
204.16016	17.9
212.78127	14.5
296.16895	16.4
356.04285	42.2
357.03668	60.7
359.76056	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	356.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39608	1.4
59.01162	1.0
59.01373	10.5
62.65480	1.2
65.52601	1.3
69.03438	1.7
71.01367	8.4
71.40533	1.4
72.97530	1.9
73.02945	2.8
75.96099	1.1
77.36279	1.1
80.31252	1.1
83.93087	4.9
84.30201	1.1
84.93866	17.3
85.02940	4.2
85.93895	1.2
89.02446	2.2
93.03423	4.2
96.96035	1.9
97.02977	1.7
98.95496	1.5
99.92582	100.0
100.92625	6.1
100.93354	74.9
100.94035	2.1
101.02409	3.2
101.93388	3.1
107.05000	4.1
109.02956	1.2
109.06567	2.5
111.04483	1.2
112.93313	1.6
113.02450	5.8
115.92069	75.6
116.92093	3.7
116.92852	36.9
117.92825	1.7
117.93645	2.0
119.05017	2.3
121.02974	1.4
121.06567	4.3
122.95455	1.3
123.04507	1.7
123.08157	1.9
124.97012	1.9
128.96463	1.2
130.08630	1.4
135.04509	3.1
137.02499	1.7
137.06073	4.8
139.07626	5.5
147.04527	2.3
148.96997	2.1
149.06100	1.4
151.03995	3.2
152.96533	1.6
153.01793	1.5
153.05563	2.9
154.94450	1.4
156.95992	2.8
161.04564	3.5
161.72395	1.1
162.98639	1.8
166.98030	3.0
167.07133	1.9
167.95175	1.7
171.94661	1.7
174.98586	2.7
177.00090	3.6
179.01749	1.4
179.03517	1.9
180.04214	2.7
182.97452	1.6
187.07533	1.3
191.05591	2.9
192.99644	2.9
195.01210	3.8
195.06642	6.0
202.98103	1.9
204.99631	6.9
205.96764	1.4
208.99020	2.1
210.96953	1.6
218.97466	3.4
220.99104	6.6
221.99786	1.4
222.97179	1.9
223.00635	20.5
224.00929	2.0
232.99150	5.7
236.98604	3.2
237.99074	1.4
246.96880	3.2
248.98637	11.2
251.00105	8.2
255.08710	2.2
262.96570	1.3
264.98181	1.7
266.99619	33.5
267.99768	3.0
276.98080	15.4
277.98264	2.1
292.97516	7.2
294.99139	34.4
295.99237	3.8
307.96219	1.7
310.98560	4.1
313.12390	1.6
313.46436	1.4
320.97046	22.9
321.97122	2.0
338.98083	28.0
339.98285	3.5
356.99124	15.8
357.07794	1.3
357.11740	6.5
357.15750	2.5
357.99173	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	357.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67738	0.4
59.01360	1.9
67.01873	0.5
69.03454	3.7
71.01355	1.6
71.05006	2.2
71.39905	0.6
72.81522	0.4
76.72543	0.5
85.02949	9.1
87.04506	3.3
89.02443	0.6
90.97122	2.8
97.02937	2.8
101.02431	0.8
107.17292	0.5
113.02453	0.8
115.04006	26.4
116.04340	0.7
116.98770	0.5
118.96613	0.6
140.98724	0.6
143.00255	1.2
144.98196	1.1
155.00250	3.0
158.99780	6.3
159.02983	38.5
160.03331	0.8
161.01324	3.8
168.98177	3.4
170.99753	26.6
173.01308	37.2
174.01617	1.0
184.11211	0.6
185.01329	2.8
185.98457	1.9
186.99255	2.4
188.00029	4.3
189.00829	1.1
191.02321	0.6
195.03386	0.7
197.03041	0.8
199.01021	1.2
201.00858	1.0
203.02278	0.6
204.50401	0.5
209.01291	5.0
211.02875	18.1
212.03397	0.6
212.65764	0.5
213.00883	1.7
213.04440	13.0
214.04787	0.7
214.98732	66.8
215.02296	2.8
215.98978	2.2
223.02827	4.4
225.00792	0.7
227.02351	7.9
229.03917	12.8
231.05521	0.9
239.02370	16.1
240.02632	0.6
241.03928	20.0
242.04317	1.0
243.01932	1.0
251.02374	9.9
257.03409	4.1
258.97668	0.6
259.04974	27.5
260.05270	1.3
269.01447	1.2
285.03003	1.3
295.01306	5.7
297.11795	0.9
311.00858	1.0
313.02414	29.3
314.02802	1.9
339.00427	3.0
340.04987	0.7
357.01385	100.0
358.01700	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	357.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32783	0.4
52.15270	0.5
59.95468	0.5
60.49045	0.5
69.03443	1.3
69.99997	1.1
70.00335	0.7
71.05018	4.9
85.02943	1.4
87.00864	2.1
87.04495	3.6
97.02899	0.8
98.21861	0.6
113.02431	0.7
115.04001	62.4
116.04346	1.5
130.08673	0.6
141.82120	0.5
147.86134	0.5
159.02974	100.0
160.03323	2.5
160.55257	0.5
168.98235	0.6
170.99754	3.0
173.01305	4.4
196.98564	2.0
198.98495	0.8
202.03784	0.6
209.53079	0.5
211.02847	2.1
213.04416	1.8
214.98715	7.6
215.02177	0.6
217.38139	0.5
223.02861	0.9
227.02391	0.9
229.03973	2.6
239.02342	2.0
241.03938	2.5
251.02370	1.5
259.05048	2.5
269.01700	0.6
313.02353	3.4
357.01370	11.1
357.10956	1.9
358.01587	0.8
374.17456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88351	0.5
69.03431	0.7
69.80158	0.8
69.80492	0.7
69.90416	0.4
71.01367	0.6
71.05013	6.0
87.04512	3.4
97.02937	0.7
107.44689	0.4
113.02483	0.7
115.04005	72.3
116.04334	1.7
151.62146	0.4
159.02983	100.0
160.03326	3.0
173.01254	0.5
196.98578	2.9
198.98489	1.3
207.97224	0.4
214.98732	0.6
257.77908	0.4
357.01743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17969	0.8
58.99598	8.2
59.00940	0.8
59.01379	1.6
62.18065	0.9
66.03479	1.4
69.98855	1.2
69.99149	1.3
70.02943	1.0
78.52700	0.8
80.34451	0.8
82.06636	3.8
84.08171	1.6
86.99105	4.6
94.88252	0.8
96.04558	3.3
110.06129	13.2
111.02033	1.4
113.00681	1.3
113.06086	2.1
114.09232	1.4
122.06110	28.4
124.07632	1.3
126.59776	0.8
128.01755	4.4
130.08737	100.0
131.09048	2.3
136.01649	1.2
144.57480	0.9
154.03333	1.6
155.11868	8.0
156.04898	1.0
156.06612	4.6
165.66544	0.8
172.08023	9.4
173.08360	0.9
179.04695	2.0
192.13857	3.6
199.10884	7.5
207.15007	1.1
225.03413	11.4
226.01711	2.5
235.14523	13.6
249.12407	2.3
271.05228	1.0
279.13513	7.1
293.11319	2.1
313.12283	25.4
313.15952	1.2
314.12546	1.7
339.10159	15.9
340.10764	1.1
357.11224	74.1
358.11484	6.8
358.20401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1121
Annotation	Eupaglehnin E
Peak:m/z	Relative Intensity
53.67195	0.6
58.79901	0.7
58.99601	8.5
59.01378	1.9
61.67783	0.6
66.03467	0.9
69.70983	2.4
71.01373	0.8
82.06618	2.8
84.08200	0.8
86.99096	5.1
96.04548	3.6
101.02437	0.8
102.00202	0.9
105.93514	0.6
110.06117	9.0
113.00642	1.2
113.02435	1.0
113.06097	1.6
114.09269	1.6
122.06118	26.4
123.06438	0.9
124.07673	1.4
128.01788	4.8
130.03320	1.1
130.08737	100.0
131.09048	3.4
140.03484	0.6
140.19060	0.6
150.05591	1.1
152.26328	0.8
153.01665	5.9
154.03334	1.9
155.11896	6.3
156.04861	1.1
156.06636	5.6
165.06775	1.1
172.08011	10.2
179.04601	1.2
180.04314	2.4
181.50110	0.7
182.02899	0.8
192.13930	4.1
195.03003	1.0
195.04996	0.8
195.06668	3.0
199.10910	7.1
207.14980	1.5
219.87761	0.7
223.14557	1.0
225.03383	11.9
235.14496	14.5
236.14917	1.2
249.12451	3.4
253.43231	0.8
269.13327	1.1
279.13525	7.3
293.11447	2.3
295.11188	0.9
313.12253	23.9
314.12683	2.5
339.10184	13.2
357.11255	91.9
358.11563	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	357.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59705	0.8
58.99601	7.9
59.01377	6.3
60.08374	0.7
66.03477	0.9
67.11668	0.7
69.29887	0.8
69.35561	4.1
71.01387	0.8
80.05068	1.0
82.06632	2.2
84.08175	1.7
84.97624	0.9
86.99101	4.7
89.18414	0.7
96.04531	2.4
106.06622	5.8
107.06935	3.5
110.06119	12.4
111.01986	1.7
113.06069	2.0
114.09220	1.3
118.98093	0.9
121.02972	0.8
122.06114	29.0
123.06479	1.0
124.07678	1.5
128.01733	4.2
130.08736	100.0
131.09071	3.6
135.04521	2.3
150.05602	4.0
151.05942	3.1
154.03325	2.6
155.11896	6.3
156.06650	7.1
160.50050	0.9
162.03210	1.0
172.08014	10.6
177.05556	2.4
179.04639	1.4
192.13902	5.7
195.04909	1.4
199.10878	5.7
225.03380	14.1
225.85439	0.8
226.01712	1.6
230.17705	0.9
235.14488	14.7
236.14900	1.4
249.12402	2.6
253.14328	3.8
279.13528	7.8
279.65384	0.8
293.11469	3.2
313.12259	23.4
314.12485	2.8
339.10187	13.8
340.10425	0.9
357.11215	75.7
358.11572	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	357.1123
Annotation	Eupaglehnin E
Peak:m/z	Relative Intensity
58.10891	1.0
58.99605	9.4
59.01366	4.5
66.03482	1.1
69.27244	5.5
71.01337	1.3
82.06623	2.6
86.99072	5.0
95.03773	1.0
96.04557	4.4
97.03047	0.9
98.21880	2.1
102.39597	1.0
108.08219	8.6
110.06118	12.1
111.02034	1.1
112.60197	1.1
113.00674	1.1
114.09213	1.9
122.06129	27.8
124.07697	1.7
128.01732	3.0
130.08740	100.0
131.09068	2.4
136.01669	1.3
137.10533	1.0
147.72556	1.1
151.03978	1.8
152.07153	7.0
154.03302	2.1
155.11923	6.3
156.06644	4.8
162.03206	1.2
165.06812	1.4
168.51422	1.1
172.08029	11.3
173.04584	6.2
179.04742	2.1
192.13852	5.3
196.06105	5.3
198.76103	1.2
199.10855	6.2
205.75497	1.1
207.15005	1.1
225.03366	15.1
226.01817	1.6
235.14522	15.0
236.14671	1.8
249.12430	2.0
264.93930	1.2
269.13339	1.6
279.13553	6.2
293.11475	4.0
298.09314	1.4
313.12265	24.1
314.12997	1.2
339.10196	14.2
357.11264	75.8
358.11411	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	357.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49537	0.9
58.99600	6.9
59.01362	2.1
60.07571	1.1
71.01365	1.1
71.25702	1.0
73.04066	1.6
74.02473	1.4
74.97156	1.1
82.06618	2.9
86.99087	4.6
96.04559	2.8
96.96007	2.0
110.06092	8.4
111.01955	1.2
113.03584	1.1
113.06090	2.7
120.04507	1.0
121.02961	3.6
122.06120	26.1
125.02429	1.0
128.01738	4.1
130.08737	100.0
131.09090	2.5
136.05290	3.3
138.09195	1.4
139.87955	1.0
150.05602	1.5
151.03984	1.7
154.03313	1.4
155.11914	7.2
156.04895	1.3
156.06657	5.6
172.07971	10.3
179.04660	1.6
182.02831	1.7
192.13936	3.5
195.06606	3.8
199.10852	8.6
200.11122	1.0
207.14948	1.2
225.03389	15.3
226.01662	1.4
235.14508	15.5
249.12386	2.6
269.13400	1.0
279.13464	5.8
293.11380	3.7
313.12274	21.2
314.12576	2.1
323.16183	2.9
339.10178	14.3
340.18518	2.3
357.11209	86.9
358.11566	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	357.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06285	1.5
58.99613	8.1
59.01368	2.2
60.10191	1.8
61.98838	1.9
66.03467	2.2
82.06606	1.8
86.99116	3.2
93.03487	2.2
95.04980	1.9
107.01398	3.4
110.06095	10.6
122.06114	22.7
123.04546	2.0
125.02425	2.4
128.01736	4.2
129.10342	2.8
130.08737	100.0
131.09064	4.1
135.04457	1.7
137.02434	8.0
155.11911	5.7
156.06612	4.3
160.03958	1.8
163.00412	2.9
163.04034	1.6
164.03487	3.2
165.01956	5.0
165.05592	2.1
172.08034	7.8
180.04245	2.9
192.02997	2.9
192.13977	2.2
195.06631	4.3
199.10870	4.9
199.18184	4.0
221.03242	2.1
225.03362	7.7
225.16116	3.2
235.14517	9.6
249.12361	2.5
279.13498	3.7
303.08768	9.1
312.26633	3.9
313.12320	17.2
323.16110	2.6
331.08215	5.1
339.10211	10.3
356.25571	13.7
357.11218	56.6
357.25818	9.4
358.11526	4.1
358.20132	13.0
377.28088	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	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01379	4.1
67.03019	0.7
68.02537	2.3
69.90211	0.6
71.01393	1.1
73.02972	0.9
74.99094	0.8
85.02926	3.0
87.00880	1.1
91.04247	3.1
93.03447	3.3
102.98611	2.3
106.04106	1.5
111.03119	16.0
111.04401	0.8
113.02401	0.6
118.98083	6.6
119.05018	4.5
121.02946	5.1
130.08800	2.8
134.03743	2.4
135.03288	6.9
136.01665	7.4
136.05289	72.4
137.02455	0.8
137.05653	3.5
137.08266	0.5
138.03177	1.1
141.38461	0.6
145.50041	0.6
149.06044	3.3
150.05594	14.8
151.04005	9.6
151.06000	1.4
151.07628	8.0
152.04601	1.1
152.08040	0.6
153.05586	0.8
162.03207	3.8
163.06250	4.3
168.05223	2.0
173.04576	1.3
175.03905	1.1
177.05566	3.3
178.02736	1.1
180.04272	43.8
181.04625	2.1
191.05608	19.0
193.05075	2.0
195.06610	100.0
196.06981	5.6
226.12018	1.3
231.07715	0.8
263.03424	0.6
264.04208	0.9
271.05289	1.1
314.12592	13.5
315.11060	1.5
321.09750	1.4
335.01965	3.7
336.02759	5.8
351.05084	15.1
357.12057	22.1
357.21140	2.9
358.07828	4.7
358.12363	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29378	0.6
59.01377	42.2
61.98822	0.9
70.11701	0.6
70.35801	0.5
71.01015	1.2
71.01380	18.8
72.77754	0.7
73.02930	1.2
83.01385	1.8
85.02918	3.9
87.00886	0.8
89.02442	17.7
95.01382	1.4
99.92580	4.2
100.92729	0.6
100.93364	3.0
101.02433	12.0
108.02155	1.7
113.02448	6.0
114.05563	0.8
114.89597	0.6
115.92057	2.8
116.07196	0.7
116.92841	2.2
119.03494	7.4
130.08743	0.8
134.03748	1.2
136.01561	0.7
143.03418	0.9
151.03996	0.8
152.07158	0.8
160.04073	0.9
161.02397	1.9
161.04579	0.8
162.03227	60.7
163.03699	4.1
163.33093	0.7
177.05565	100.0
178.05891	6.1
179.05667	0.8
195.06567	3.9
220.10210	0.6
248.98607	0.9
253.12738	1.2
266.99585	1.6
292.97702	0.7
308.43344	0.6
313.13065	0.9
320.97131	2.2
338.98138	1.5
357.11667	0.8
357.17435	1.3
357.21591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
59.01380	49.0
60.01706	1.1
61.35897	0.8
67.01871	1.0
69.03469	1.0
71.01382	16.5
73.02940	9.6
74.36812	0.9
81.03464	7.6
83.01375	3.0
85.02942	6.3
87.00879	4.0
89.02450	9.6
91.05553	1.1
93.03467	2.4
95.01377	2.3
97.02956	8.6
101.02440	12.2
102.98588	2.1
107.05029	40.3
108.05354	1.0
109.06593	19.8
111.04523	2.8
113.02429	6.4
115.00331	0.9
119.03486	3.4
121.02943	1.6
123.04524	34.8
124.04852	1.3
125.02422	1.2
125.06090	1.2
127.37691	0.9
129.10291	1.5
133.05669	1.6
133.06606	17.5
134.03683	1.0
134.36041	1.0
135.04530	54.0
136.04951	1.8
137.02463	2.4
137.05080	1.6
137.06091	21.7
149.06091	3.1
151.03996	5.3
151.07628	1.8
153.05574	100.0
154.05930	3.5
162.03214	2.1
168.18144	0.9
175.04039	1.1
177.05573	35.9
178.05951	2.1
179.07042	1.3
189.05540	1.6
191.05592	2.6
191.07202	1.3
192.06013	1.6
193.06226	1.4
194.06310	1.6
195.06618	43.9
196.06990	2.2
203.07219	5.0
207.06631	2.1
209.08159	1.3
219.06456	1.3
231.06654	3.6
237.07651	2.6
242.18779	2.3
279.08789	3.7
297.09781	51.6
298.10071	4.7
315.10852	76.5
316.11215	6.6
339.45575	1.2
351.05054	1.5
357.11905	31.5
357.21210	2.2
358.08322	1.0
358.12231	4.1
358.19882	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03470	1.0
57.35269	0.8
59.01379	44.1
69.03454	1.4
69.46178	3.7
71.01009	1.7
71.01382	20.1
73.02946	9.7
74.13697	0.9
81.03461	3.4
83.01378	2.7
83.05007	1.0
85.02960	5.1
87.00882	3.3
89.02443	9.9
93.03455	1.4
95.01389	1.3
97.02950	9.5
101.02455	11.1
107.05032	46.2
108.02190	3.3
108.05372	1.5
109.02951	2.1
109.06599	16.4
111.04553	4.9
113.02460	6.2
119.03500	3.9
123.04523	9.9
125.06076	1.6
133.06628	1.3
135.04530	51.5
136.04955	1.2
137.02406	2.6
137.06093	21.7
149.06067	2.5
151.03995	8.0
152.01122	1.5
152.04646	1.0
153.05577	100.0
154.05904	4.7
156.45389	0.9
162.03282	2.1
165.05524	1.0
177.05554	10.7
179.07137	1.2
191.05638	2.2
191.07196	1.9
191.45216	0.9
193.04927	1.3
193.08630	1.3
195.01320	0.8
195.06622	4.6
203.07210	4.0
207.06551	1.9
209.08170	1.1
211.88004	0.9
231.06686	4.4
237.07672	2.1
279.08688	5.4
297.09802	50.6
298.10162	3.3
315.10858	80.9
316.11218	5.3
336.03180	1.0
337.17789	1.0
349.20419	0.9
357.08148	1.5
357.11926	18.3
357.21033	1.0
358.12292	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	357.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89691	1.2
59.01370	6.7
67.03015	2.0
68.02538	6.8
71.01379	2.0
83.02529	1.7
85.02945	2.1
91.04278	2.4
93.03458	2.6
102.98608	7.2
106.04082	4.1
111.02365	2.4
111.03120	39.1
115.95502	1.1
121.02946	6.3
122.03712	1.2
125.04685	1.1
130.08716	3.6
134.03706	4.5
135.03259	14.7
136.01665	25.8
136.05292	86.8
137.02437	1.2
137.04680	1.4
137.05658	3.1
138.03229	1.6
149.06049	2.2
150.05592	32.1
151.04001	36.9
151.05833	1.8
151.07632	9.6
152.04491	1.5
162.03203	4.6
163.06256	6.7
164.78151	1.2
168.05257	4.6
173.04526	1.3
177.05557	4.6
178.76137	1.1
180.04268	26.8
181.04608	1.7
191.05562	8.0
193.05016	2.7
195.06610	100.0
196.06909	4.8
204.87523	1.2
217.06206	1.2
284.41010	1.3
285.00494	1.3
288.78027	1.1
314.12552	30.1
315.10617	2.1
335.02060	1.8
336.02609	1.9
342.10965	1.9
351.05234	6.3
357.12863	25.7
357.21185	3.0
358.08136	1.5
358.13113	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1328
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
51.76364	0.4
59.01355	0.5
65.03096	0.4
67.41998	0.4
69.03447	0.6
69.22742	2.0
70.03714	0.5
82.72285	0.4
84.02158	0.6
85.02927	0.6
91.81693	0.4
92.02660	0.7
93.03461	1.1
107.05032	0.7
107.76440	0.4
108.02184	1.9
109.02947	0.9
111.05631	0.6
112.04025	2.7
116.05286	0.4
116.07147	0.6
121.02955	8.8
122.03753	4.4
130.08736	5.0
133.02896	0.7
134.03740	1.3
135.04517	4.2
136.01656	72.5
137.02194	2.6
142.91356	0.4
146.03709	0.5
149.06029	0.8
151.04002	100.0
152.04340	3.7
160.04007	1.1
160.05286	1.2
161.02313	0.5
162.03250	1.0
163.03986	1.7
164.04863	0.6
175.03995	0.9
175.07611	1.4
177.01912	0.8
177.05577	1.0
178.02620	0.6
179.03474	1.7
179.07124	0.5
189.05600	0.9
201.11327	1.5
221.08249	0.5
229.10709	0.5
241.05141	0.6
311.12811	1.2
319.70963	0.5
321.16812	0.8
324.19064	0.9
339.12482	0.5
339.19263	3.8
340.19485	0.6
342.11096	4.7
357.13412	24.8
358.13730	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	357.1338
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01376	0.4
69.03458	0.3
70.13665	0.3
70.13999	0.2
81.03417	0.1
83.05031	0.1
84.02180	0.4
85.02950	0.4
92.02677	0.6
93.03461	1.5
95.01437	0.1
107.05042	0.1
108.02190	1.4
109.03001	0.7
121.02955	8.6
122.03751	4.4
123.00889	0.3
123.04576	0.2
124.01682	0.3
128.46455	0.1
130.08757	0.3
133.03035	0.1
134.03732	1.1
135.04512	0.4
136.01662	76.6
137.02249	2.6
137.11630	0.1
143.05023	0.4
147.04430	0.2
149.06105	0.4
150.03201	0.2
151.04007	100.0
152.04347	3.8
159.04491	0.7
160.05287	1.3
161.02417	0.5
161.06020	0.2
162.03229	1.4
163.04007	1.3
164.04793	0.2
171.10266	0.1
173.06073	0.2
175.04057	0.8
175.07619	1.4
176.04735	0.4
177.05569	1.0
179.03517	0.6
187.04051	0.4
188.04791	0.4
189.05611	0.8
190.06401	0.3
191.07222	0.1
193.05092	0.1
195.10271	0.3
201.07637	0.2
203.07132	0.4
206.05824	0.2
241.05095	0.4
253.08752	0.5
256.07446	0.3
267.06607	0.2
296.10574	0.3
311.09558	0.2
311.12817	1.2
327.08743	0.3
342.11081	4.5
343.11548	0.5
357.13416	23.6
358.13785	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	357.1344
Annotation	Dihydrocubebin
Peak:m/z	Relative Intensity
56.51995	1.6
69.69974	2.8
108.02164	23.1
109.06612	3.9
119.87093	1.6
119.93062	1.6
121.02938	2.0
121.06616	2.8
123.04521	36.9
123.08157	3.4
125.09718	2.1
131.04997	4.0
134.03726	2.0
135.04543	2.0
137.06088	3.9
145.02951	2.3
146.03665	2.0
147.04494	5.5
148.05310	13.7
149.02495	2.1
149.06099	9.4
150.03195	7.7
158.03726	4.5
159.04544	15.9
160.05296	31.0
161.02435	4.3
161.06108	3.4
162.03169	3.7
162.06519	1.5
164.04764	2.8
165.05586	3.9
167.07126	13.0
171.10199	5.4
173.06102	2.2
174.03220	8.2
175.03943	3.6
175.07677	8.1
176.04761	5.4
177.05565	88.9
178.06339	32.7
187.04002	13.9
188.04774	16.2
190.06319	2.8
191.07137	27.7
192.07883	16.9
193.08574	3.1
201.11319	13.1
201.55792	1.7
203.07140	100.0
204.07495	6.1
206.05820	18.4
210.05356	8.0
219.06516	2.8
220.07391	4.9
221.08189	71.1
222.08499	2.6
224.06868	14.7
229.10797	2.5
235.07748	2.5
251.07019	2.2
263.07156	5.6
267.06458	1.9
268.87140	1.6
279.06555	2.8
280.07288	3.6
281.08194	8.1
283.09897	1.7
291.06546	3.9
293.49768	1.9
295.09741	2.9
296.10199	2.8
297.07617	10.7
298.08365	2.6
303.16098	2.9
306.09021	1.8
309.07642	14.2
309.11105	3.4
311.12784	4.7
312.09949	2.8
313.10703	4.5
321.17133	13.2
323.09195	2.4
324.09915	11.9
327.08698	1.5
327.12341	22.7
339.12344	50.1
340.12607	5.8
350.55933	1.9
357.13437	48.7
358.13782	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56785	1.7
57.03447	2.0
59.01372	7.2
61.98838	2.0
69.36538	3.7
69.36938	3.8
71.01385	3.5
78.95906	3.2
80.02671	2.3
81.03451	2.1
81.66089	1.4
83.05020	1.7
87.00899	1.9
87.04514	3.8
93.03456	4.8
97.02940	4.0
97.06577	4.2
107.05022	1.8
108.02179	10.6
109.06578	25.1
110.03751	2.5
111.05716	2.1
116.07188	4.4
121.02969	2.9
121.06599	14.8
123.04545	13.2
123.08160	31.6
125.09734	17.6
127.11303	6.7
130.08755	2.3
133.06592	3.3
136.01689	1.8
137.06084	23.5
137.09721	2.4
138.03230	5.3
139.07661	5.1
139.11392	1.6
141.05553	3.7
145.02968	1.7
147.04431	1.8
148.05284	3.8
149.06026	4.9
150.03230	4.2
151.07645	9.0
152.99625	2.1
153.09261	1.9
155.07117	3.8
155.10883	2.8
159.04536	3.3
160.04013	4.4
160.05309	9.9
161.06104	2.2
165.09169	2.5
167.07129	86.1
168.07451	2.8
171.10260	33.7
174.03209	3.4
175.07620	3.6
176.04784	3.1
177.05553	27.9
178.06369	10.1
185.08168	7.3
187.03970	4.8
187.09740	4.8
188.04781	7.1
191.05650	1.9
191.07077	9.5
192.07886	5.4
192.95772	2.0
199.09758	3.3
200.11591	1.6
201.11314	100.0
202.11642	6.5
203.07137	36.5
206.05830	5.9
208.25363	1.6
210.05182	2.5
211.09679	3.6
213.11378	6.7
217.10831	5.0
220.07414	2.4
221.08159	24.7
224.06834	3.2
229.10780	21.7
230.11063	1.6
259.17010	1.9
275.16577	2.4
277.18079	5.1
281.08051	2.4
285.15103	4.3
291.06696	2.3
293.17514	3.0
297.07651	2.7
303.16034	15.3
309.07526	5.5
313.10672	2.2
321.17068	74.0
322.09229	1.8
322.17352	6.9
324.10034	2.5
324.19189	2.2
327.12271	9.3
339.12296	17.5
339.18112	12.3
340.12656	2.1
340.18442	2.8
357.13458	18.0
357.19235	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
59.01380	100.0
60.01723	1.0
61.98827	0.6
71.01380	6.9
73.02931	2.2
73.92632	0.4
83.01391	1.0
85.02934	3.2
89.02484	1.4
95.01365	0.9
99.00887	0.8
101.02431	4.3
113.02438	2.5
119.03533	0.6
122.03803	0.5
125.09733	0.7
136.01703	1.3
143.03526	0.5
143.48257	0.4
151.04021	1.2
157.69038	0.5
159.03026	0.6
161.04565	3.7
187.09813	0.6
190.63145	0.4
197.35867	0.5
201.11346	0.7
213.09279	1.0
237.09273	0.8
315.18079	5.3
322.45541	0.5
330.35715	0.4
357.09830	0.5
357.13821	0.7
357.22971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01141	1.1
59.01377	100.0
59.25735	1.1
61.98833	1.7
69.61135	4.7
71.01384	5.0
73.02946	1.3
73.45587	1.0
75.66434	1.0
80.19810	1.0
85.02974	2.1
89.02470	1.5
98.21859	1.3
101.02431	2.2
113.02425	2.8
115.14151	1.1
159.21796	1.2
160.04077	2.2
161.04573	2.5
163.04004	1.8
181.55441	1.2
192.95901	2.8
200.94727	1.3
205.09612	1.2
251.90044	1.2
276.55698	1.2
289.04984	1.2
327.12482	1.7
351.29266	1.2
357.13467	3.8
357.22876	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01358	6.0
70.50546	1.4
71.01361	5.1
78.65691	1.5
79.65857	1.6
93.03461	3.9
97.02940	2.2
97.06612	3.2
98.22604	1.8
105.96146	1.7
108.02221	2.6
109.06580	22.3
111.08119	2.4
113.06052	2.0
113.47849	1.6
121.02937	17.3
121.06622	9.0
123.08155	21.7
125.06075	2.9
125.09721	15.1
127.11278	5.3
133.06612	2.7
136.01682	1.9
137.02473	2.8
137.06099	18.6
137.09694	2.5
138.03236	5.0
139.07626	7.1
139.11243	2.2
141.05551	3.9
149.06029	4.5
151.07686	3.2
152.99542	1.9
155.07149	4.6
155.10722	2.8
160.04021	6.1
167.07130	78.3
171.10265	33.9
182.87869	1.6
185.08195	5.3
187.09767	7.3
192.95865	1.7
199.09663	3.0
201.11311	100.0
202.11682	4.5
211.09962	1.9
213.11324	7.8
217.10780	5.0
224.13162	1.7
229.10786	17.6
251.16684	2.0
277.17917	4.5
285.14938	4.1
293.17578	2.6
303.15982	10.7
315.18103	2.1
321.17029	45.9
322.17377	2.4
339.17957	11.4
357.13998	10.2
357.19031	18.3
357.87006	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	358.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	1.7
59.01373	5.9
61.98793	0.6
69.03439	0.7
69.57454	1.1
69.57838	1.1
71.01335	1.5
81.03415	2.3
83.01378	4.1
85.02907	1.2
88.03974	1.7
89.02392	0.7
91.54211	0.6
93.03410	1.6
95.01311	0.8
95.05018	3.2
97.02950	7.7
99.94042	0.5
107.04967	1.8
108.02132	1.4
109.02949	25.7
110.03230	1.1
110.06065	1.4
114.01877	0.6
114.05617	4.9
115.00307	0.9
116.07108	1.4
117.03381	0.6
119.04957	1.6
121.02933	4.7
122.03693	1.2
123.00851	1.3
123.04520	18.7
124.04801	0.6
125.01665	0.8
125.02448	11.1
126.09231	0.6
127.05032	0.7
129.10278	1.0
130.08659	2.0
131.04568	2.3
132.04565	4.3
133.02847	0.6
135.04543	2.7
137.01587	0.5
137.02426	6.5
137.06088	5.1
138.03168	2.2
139.04022	3.4
143.05002	0.7
145.02919	1.7
146.03638	1.4
147.04509	0.8
149.02435	5.0
149.05994	0.6
150.03145	1.7
150.09241	1.2
151.03998	9.3
152.07118	1.0
153.05437	0.6
159.04530	2.9
159.88651	0.5
160.04034	47.6
161.02354	1.7
161.04359	2.3
161.06020	6.3
162.03236	3.0
163.03821	2.0
164.01100	2.5
164.10742	0.6
165.01933	3.8
166.02606	0.5
166.08723	0.8
167.03378	1.5
170.91296	0.5
173.06036	0.7
175.03981	2.1
175.07585	1.5
176.01187	0.5
176.04683	0.8
177.05569	2.5
178.05858	1.7
179.03481	6.1
182.02124	0.5
185.05943	0.7
185.16582	1.1
187.04015	4.2
188.04749	3.6
191.05545	2.2
191.07114	0.7
194.08177	4.1
195.06592	1.1
196.06898	2.1
197.04488	1.7
201.05611	1.1
202.06322	1.6
203.03430	0.6
203.07129	14.6
205.05034	11.7
206.08202	2.6
208.09842	0.8
217.00330	0.6
221.08170	2.3
227.07138	2.3
228.17163	1.0
229.04851	0.8
230.05765	1.1
231.02867	1.8
234.07718	1.3
242.18698	2.1
243.16983	0.8
245.08180	17.2
246.08551	1.5
247.06073	2.1
248.09222	1.6
253.04926	0.5
271.06296	0.8
272.12906	0.9
289.07159	100.0
290.07532	8.7
314.14001	2.9
322.09280	18.1
323.09604	2.2
340.18478	0.6
358.08426	0.9
358.12943	17.8
358.19513	5.5
359.13348	2.1
359.20398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65686	0.7
57.03454	1.8
59.01376	7.6
61.98820	0.8
69.03455	1.0
71.01379	5.1
71.42268	0.9
74.02448	0.8
78.99877	0.7
81.03454	2.4
83.01386	3.4
85.02947	1.8
88.04041	6.3
89.02448	1.4
93.03464	1.9
95.01406	1.0
95.05023	3.3
97.02946	8.6
101.02495	0.9
107.05027	2.4
108.02163	1.5
109.02946	28.4
110.06117	0.9
112.04020	0.9
114.05602	1.8
115.00351	6.5
116.07169	6.1
119.05039	2.4
121.02959	3.4
122.03752	3.0
123.04524	20.0
124.04843	1.1
125.02445	12.0
129.10341	2.7
130.08716	2.6
131.04599	1.1
132.03061	2.0
132.04559	5.7
135.04526	2.8
137.02437	7.3
137.06097	7.7
138.03204	2.3
139.04004	4.0
140.83278	0.9
145.02956	1.1
146.03728	1.0
149.02406	5.8
150.03191	1.4
150.09279	1.0
151.04005	7.7
153.05623	1.0
159.04555	3.2
160.04033	56.9
161.02444	1.8
161.04419	3.0
161.06084	6.0
162.03186	2.6
163.03989	2.3
164.01199	1.9
165.00458	0.8
165.01903	2.9
165.05486	0.8
166.08705	1.5
167.03511	2.8
175.03970	1.4
175.07631	1.3
177.05559	2.8
178.05881	1.0
179.03473	4.9
180.10263	1.7
182.02132	1.2
185.16606	1.9
187.04037	5.0
188.04771	2.8
189.05396	0.8
191.05562	5.1
194.08205	5.1
195.06618	1.2
195.15073	0.9
196.06975	2.6
197.04585	3.5
199.07655	0.9
202.06302	1.2
203.07117	12.6
205.05009	12.6
206.08206	2.9
217.00269	1.6
221.08150	2.4
225.16089	1.4
227.06944	1.7
228.07567	0.8
228.17151	2.2
230.05779	0.8
234.07735	1.2
242.18732	11.8
243.17035	4.4
245.08165	17.1
246.08609	1.4
247.06166	2.3
248.09151	1.4
269.06653	1.0
289.07162	100.0
290.07477	9.1
290.14169	1.1
297.11615	1.0
314.13959	3.1
314.20752	1.5
317.38531	0.8
322.09305	22.2
323.09735	2.0
340.18704	1.6
358.13013	15.4
358.19653	23.4
359.13303	1.7
359.20163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94079	0.6
57.03171	1.4
57.03449	27.5
58.99561	0.6
59.01375	14.6
61.98831	5.1
69.03451	0.7
69.51326	1.6
69.51685	1.3
70.02975	1.5
71.01369	2.8
72.04531	0.8
72.99309	4.5
73.02940	1.0
85.02955	7.3
86.02471	3.6
87.00869	3.6
87.04496	0.9
88.48003	0.6
89.02432	1.6
93.03492	0.8
96.04542	1.6
97.02953	2.8
98.22612	1.3
101.02454	1.3
102.18028	0.7
108.04540	0.9
109.02937	0.9
113.02466	1.2
115.00498	0.7
117.21154	0.8
119.03497	1.0
122.06146	1.5
123.00911	1.4
123.04526	3.1
131.04597	1.2
134.09760	1.4
135.04517	9.0
136.07753	0.7
137.02454	0.9
138.03229	2.0
138.05608	0.9
150.09258	1.2
153.01860	0.7
153.05542	1.4
160.04033	0.9
162.12878	5.8
164.07169	0.9
164.14400	1.0
167.03444	0.8
174.12883	2.6
174.99280	3.1
178.12355	0.9
179.03505	2.8
180.13934	8.6
182.02225	1.5
191.05615	2.6
192.13918	11.7
193.14264	1.3
197.04556	12.1
201.02577	2.9
206.11862	3.0
210.15013	2.3
214.98610	0.8
217.00284	11.4
224.12880	0.9
236.12962	5.0
239.05702	0.9
254.13962	35.5
255.14313	2.7
260.16592	0.9
294.17032	1.5
304.15555	1.9
340.17627	11.3
341.01730	1.4
341.18094	0.9
358.06854	2.0
358.18695	100.0
359.02182	1.0
359.09814	8.5
359.19061	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	358.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.7
61.98735	0.7
70.02857	2.0
70.03203	1.1
70.31271	2.1
71.01253	0.7
81.02063	3.5
82.02881	1.2
82.06483	4.4
84.08071	0.9
87.00790	0.7
87.05495	2.4
93.03357	1.5
96.00768	8.8
96.01431	1.6
97.06478	0.8
98.02322	25.3
98.03036	2.5
99.02671	0.7
109.01519	2.1
112.07523	1.2
113.03549	7.0
114.01853	1.5
116.07072	1.5
122.09669	1.5
123.03088	1.1
129.10233	1.0
129.17845	0.8
130.08736	60.9
131.08936	2.1
134.03554	0.8
136.07573	0.8
137.02167	0.6
138.09239	22.9
139.08745	5.1
139.09612	1.6
140.07176	6.6
150.09119	1.1
150.39214	0.8
152.07024	1.1
153.45630	0.7
156.06522	1.1
160.03839	3.6
161.03421	1.2
163.08542	1.0
164.09489	1.3
165.10196	1.2
166.08722	27.3
167.08997	1.2
168.10156	1.8
173.04364	1.1
178.10898	0.9
182.15419	1.1
183.11276	1.3
190.10985	1.0
191.05492	1.5
194.08005	0.8
195.14975	0.8
199.18117	3.5
204.08916	1.3
209.09109	2.1
217.00214	1.5
225.16127	8.9
226.16418	0.8
227.10332	1.5
233.16539	3.9
235.18152	7.8
236.11545	2.6
236.16388	1.3
243.17128	8.2
253.19150	0.9
261.16049	9.7
273.42145	0.7
279.17142	7.0
302.17709	1.0
317.19705	1.0
322.09232	0.8
323.16098	100.0
324.16473	9.7
340.18759	49.8
341.19177	5.2
358.19980	24.3
359.20624	6.5
379.41891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.4
61.98803	10.4
95.05033	53.5
96.96011	9.9
118.79984	5.6
152.91765	7.9
177.14273	6.0
193.71568	5.7
194.92805	14.7
194.95587	8.2
197.19150	7.0
217.00330	7.8
223.93251	5.9
246.12306	60.4
276.93100	11.7
278.11368	100.0
315.19479	32.8
321.10843	10.6
329.85867	6.4
338.60965	6.1
358.19516	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	358.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02885	6.4
59.01358	6.5
61.98827	100.0
69.72302	23.5
112.98801	6.8
142.39320	6.7
151.01582	7.1
301.79404	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	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97202	82.4
55.91684	100.0
63.88340	78.8
67.09550	84.3
68.38631	71.6
71.45208	93.1
158.45303	88.4
163.41786	76.2
165.96341	86.6
281.54654	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	358.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18055	29.6
59.01376	54.8
61.98831	34.7
69.85718	25.9
71.01375	100.0
74.55803	32.3
89.02461	31.2
116.92797	28.4
119.94664	41.4
194.06628	27.9
196.48395	29.1
238.50060	29.0
260.63986	29.3
278.24390	25.3
303.04031	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52547	0.4
59.01376	84.7
59.27472	0.4
60.01724	0.6
71.03533	0.5
73.33310	0.5
74.97930	0.5
92.15079	0.6
107.63198	0.4
114.47354	0.4
132.98169	1.7
157.03601	2.9
174.99242	22.5
201.02554	26.1
202.02724	1.8
217.00294	100.0
218.00677	2.8
274.99551	0.8
315.10938	0.4
317.00610	0.8
323.23523	0.4
359.01511	5.5
360.01538	0.8
360.45953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01377	100.0
61.98822	1.3
71.01386	4.8
71.41530	0.8
73.02933	0.9
78.95905	1.0
85.02934	3.6
87.00865	1.0
88.04039	1.4
89.02459	1.3
93.03452	3.7
95.01411	2.2
96.96013	4.1
97.02949	0.9
101.02470	1.4
102.98630	2.0
109.02941	1.6
111.04499	1.0
113.02486	1.7
123.00880	27.2
123.04497	0.8
124.01169	1.0
124.03997	0.7
127.05154	0.8
128.03555	0.9
130.08752	1.1
130.41142	0.9
132.98189	0.9
135.04562	2.7
137.02443	3.4
137.06079	11.8
138.03229	36.0
139.03583	1.4
140.01138	1.1
143.03503	0.8
147.04625	0.9
153.01964	0.8
153.05576	15.4
154.05922	1.3
155.03418	1.2
157.03583	2.3
159.04565	2.1
161.04601	1.9
166.99861	7.5
173.04639	2.1
174.99248	22.7
179.03491	1.0
182.02206	28.7
183.02513	1.1
191.05605	20.0
191.07323	1.1
192.05934	1.1
196.05699	0.8
197.04549	74.2
198.04974	2.8
201.02542	21.6
202.02827	2.0
217.00291	91.5
218.00723	2.2
236.38358	0.7
239.05544	0.8
250.06854	1.5
256.87973	1.0
266.05853	1.1
267.06882	1.3
268.07565	1.0
274.88815	1.6
283.09784	1.7
309.07806	1.7
316.90073	2.4
327.08804	1.3
353.06775	1.6
359.01599	5.6
359.09686	2.7
359.19159	1.1
359.23093	1.0
361.42157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.90189	0.4
59.01378	30.9
65.43819	0.5
69.63816	1.9
71.01373	2.4
73.02927	1.0
73.90339	0.5
83.95007	0.5
85.02949	1.6
90.23811	0.5
95.01389	2.7
99.00830	0.8
101.02438	1.0
102.79482	0.5
107.04993	0.5
113.02445	1.3
114.54981	0.5
123.00885	34.3
124.01209	0.8
135.04539	0.9
137.02458	0.9
137.06084	17.9
138.03226	48.0
139.03549	1.6
140.73611	0.6
144.44724	0.5
153.01910	0.7
153.05573	17.7
154.05884	0.8
161.04565	3.3
161.08214	1.0
166.99847	10.8
174.99167	0.6
181.01419	0.5
182.02209	36.5
183.02487	0.9
191.05585	0.6
197.04546	100.0
198.04874	4.3
201.02657	0.5
204.49409	0.6
209.28410	0.6
217.00266	1.4
239.05653	1.2
299.11365	0.9
359.09848	3.9
359.13962	0.7
359.19504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.098
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01877	1.7
59.01379	93.6
70.18983	3.1
71.01383	46.7
72.99318	1.4
83.01376	1.9
85.02953	6.3
87.00849	1.5
89.01929	2.6
89.02445	32.8
95.01355	3.1
101.02445	22.1
109.02969	1.6
113.02459	17.1
119.03509	14.6
119.05032	1.2
121.02951	7.1
123.00879	5.9
135.04514	1.4
137.02443	6.7
138.03221	5.1
139.04034	1.8
153.05553	14.8
155.03485	1.4
162.05611	5.3
162.93938	1.2
165.01949	1.8
166.99861	3.0
167.04492	1.2
179.05521	1.6
180.04297	2.2
181.01419	5.9
182.02188	11.1
183.02888	1.9
191.05602	4.8
195.06667	2.9
196.03745	3.5
197.04543	57.3
197.06381	2.8
198.04909	2.2
211.06148	9.0
217.00436	1.6
224.03293	3.7
225.04022	2.1
238.79434	1.3
239.05617	31.7
240.05881	1.4
251.13948	1.2
269.06564	2.6
299.07999	7.0
299.11148	2.2
322.05756	1.5
353.32605	1.5
359.09811	100.0
360.10107	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	359.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
57.30435	0.4
59.01377	28.9
61.98834	0.5
69.03452	0.5
69.71758	1.2
71.01381	1.6
71.63660	0.3
72.99316	0.8
84.77229	0.4
85.02947	1.5
89.02438	1.3
93.03455	4.1
99.04504	1.0
101.02435	0.7
107.05023	0.4
109.02938	2.9
113.02413	0.6
115.03962	2.0
123.00864	0.9
123.04559	0.6
123.43932	0.3
132.98152	0.6
134.03738	1.0
134.04655	0.6
134.06136	0.8
135.04521	100.0
136.04868	4.7
137.02448	7.9
137.06058	0.7
138.03191	1.0
139.03984	0.9
143.03510	2.9
153.05574	0.7
155.00227	0.6
157.03537	0.8
158.99760	1.3
159.01654	0.4
159.03011	1.0
159.48138	0.4
161.04594	1.1
162.05617	1.0
166.99863	0.4
167.03513	0.8
170.99742	3.4
173.01361	0.6
174.99231	7.6
179.03464	0.7
180.06679	0.6
182.02220	0.9
191.05635	0.9
197.04547	4.3
198.99249	0.5
201.00781	1.9
201.02574	8.0
205.80214	0.3
211.02924	0.5
213.04382	3.2
214.98764	3.7
217.00291	31.5
218.00609	0.8
223.02914	1.5
225.04373	0.6
235.02763	0.7
241.03976	0.8
251.02336	1.1
253.03934	0.5
254.13933	0.4
255.14316	0.5
269.03433	3.3
271.08167	0.7
287.04480	1.1
297.03027	1.9
297.09781	19.1
298.10086	1.8
313.02325	0.5
341.01895	13.6
342.02109	0.9
358.18466	0.7
359.03024	6.9
359.09723	2.2
359.19125	0.8
360.03003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1136
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
55.61624	1.2
59.01376	38.5
66.43269	1.1
67.04581	1.3
68.59323	1.1
70.81429	1.6
71.00043	1.1
71.11927	1.5
75.87140	1.0
81.27380	1.2
97.30692	1.4
108.02164	7.3
111.00869	1.5
123.00866	2.6
123.04536	3.0
126.48022	1.2
130.21320	1.2
132.02173	2.0
134.03740	100.0
135.04074	3.9
147.00894	6.3
148.01654	2.6
149.06075	91.9
150.06395	3.5
151.04079	1.4
160.01639	15.1
160.04153	1.2
162.03247	8.1
162.05643	1.4
163.04016	1.2
175.03993	22.1
176.04318	1.2
213.05499	1.4
217.00290	4.5
222.87859	1.3
225.05548	3.2
241.05098	4.1
256.07324	2.4
267.06662	1.6
269.04486	3.6
271.09729	5.6
283.06033	2.3
284.06946	6.5
299.09253	44.9
300.09607	5.3
359.11371	37.6
360.11691	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57500	0.9
58.00584	1.0
59.01379	100.0
63.11844	1.0
69.88750	1.8
69.89110	1.8
71.01382	35.9
73.02938	1.7
73.52565	0.8
74.59397	0.9
83.01385	2.1
85.02950	7.5
87.00873	1.5
89.02441	41.1
89.79731	1.0
95.01369	2.1
97.02940	1.3
101.02443	19.3
106.00634	1.0
109.02982	1.4
113.02448	15.3
117.03484	1.0
119.03519	17.1
119.05008	22.0
120.05396	1.0
121.02952	2.6
123.00882	2.7
131.03493	1.6
135.04523	12.6
137.02431	2.7
137.06049	1.7
138.03201	4.5
139.03903	1.2
143.03473	3.7
145.02910	3.4
153.05591	5.4
161.04518	2.6
163.03999	3.4
173.04492	1.9
179.05638	5.6
181.01436	1.6
182.02231	4.9
185.02200	5.8
191.05634	2.0
196.03687	2.0
197.04539	20.2
197.08246	2.4
203.51083	1.1
211.06053	3.2
224.03163	1.1
239.05548	9.2
254.58217	1.1
299.07794	2.2
299.11316	19.2
300.11505	1.7
359.10226	26.4
359.14413	1.6
360.09961	2.6
366.42499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
59.01376	100.0
60.01723	1.0
65.22260	0.6
66.91962	0.7
67.01873	0.6
69.46690	0.8
69.47026	2.7
71.01373	6.1
72.67162	0.6
73.02959	1.5
85.02972	3.9
89.02470	0.9
93.03447	1.5
95.01398	1.5
99.78735	0.7
101.02442	3.7
102.93549	0.6
102.98578	0.8
106.04230	1.2
113.02455	3.2
119.05003	0.9
119.59230	0.7
123.00876	15.8
123.01724	0.9
137.06081	52.4
138.03218	18.5
138.06462	1.8
139.03633	1.0
143.03491	0.8
153.05579	6.0
159.03040	1.7
161.04549	11.8
162.04861	0.8
166.99826	4.3
173.04657	1.0
182.00610	0.8
182.02200	13.8
182.03691	1.0
191.05620	9.6
192.05984	0.8
197.04538	39.2
198.04926	1.6
217.00363	1.9
267.06772	0.7
268.07422	0.7
283.09674	0.9
299.11462	1.3
335.05594	0.6
353.06705	0.9
359.09848	2.0
359.13715	0.9
359.19751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
60.33488	0.7
61.98833	1.2
67.02435	0.7
69.98197	2.6
78.95884	1.7
83.06571	0.6
93.03474	1.2
97.00506	0.7
109.02937	1.0
114.01920	1.1
116.05061	2.9
121.02943	8.9
122.03749	2.7
123.00854	1.0
131.05074	0.7
136.05284	1.5
143.05006	1.3
147.04520	5.6
149.02455	2.7
150.03191	4.1
152.03557	1.3
152.99626	1.5
157.05278	0.8
158.03719	6.0
158.06081	1.3
159.04514	16.7
159.05760	1.4
160.05289	43.9
161.06068	16.0
163.04030	4.6
164.04826	5.1
171.10260	2.6
173.06018	5.7
173.07248	1.5
174.06827	1.8
175.07635	34.6
176.07974	1.8
177.05568	8.4
178.06334	16.7
179.06696	0.9
189.05673	1.1
190.06299	1.3
192.07883	6.6
193.08684	2.3
194.92928	0.9
201.11250	1.2
205.08665	1.5
208.07480	0.8
209.11812	0.9
217.00308	3.2
314.11523	1.1
321.00467	0.9
323.00391	1.2
329.13910	100.0
330.14240	9.5
359.14746	1.5
359.20862	5.6
360.13510	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	1.1
69.85549	1.4
71.01379	4.7
73.02946	4.0
75.29752	0.4
83.01418	0.8
85.02959	1.0
89.02449	4.0
100.00362	0.5
101.02431	2.9
113.02428	2.3
119.03510	1.3
119.05038	0.8
121.02969	0.5
127.36008	0.4
131.03539	0.5
135.04555	0.8
143.03441	0.5
151.04012	0.4
152.26755	0.5
153.09230	0.8
161.04639	0.9
167.02251	0.4
173.04509	0.7
191.05632	0.8
194.03084	0.4
194.04665	2.0
197.04591	0.6
197.08180	0.5
204.76128	0.5
206.04646	0.9
250.06668	0.6
301.09613	0.8
317.19632	0.6
359.09918	0.8
359.20776	3.5
360.10690	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68198	0.5
56.69208	0.5
57.03472	0.7
59.01377	100.0
60.01715	1.4
69.19635	2.2
71.01371	6.0
73.02939	4.2
83.01393	0.5
85.02979	1.1
89.02437	5.0
89.02855	0.4
92.30026	0.4
93.03469	0.6
101.02448	4.6
113.02477	2.5
119.03526	2.2
120.23833	0.5
130.08754	1.5
131.03482	0.5
136.07689	0.9
143.03477	0.6
153.09280	0.5
171.42717	0.5
187.09740	0.7
197.04581	0.8
197.08215	0.5
205.56920	0.5
294.90448	0.7
299.18756	0.6
317.19623	2.8
324.16315	0.6
359.10516	0.9
359.20715	5.5
360.21341	0.8
364.83340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68198	0.5
56.69208	0.5
57.03472	0.7
59.01377	100.0
60.01715	1.4
69.19635	2.2
71.01371	6.0
73.02939	4.2
83.01393	0.5
85.02979	1.1
89.02437	5.0
89.02855	0.4
92.30026	0.4
93.03469	0.6
101.02448	4.6
113.02477	2.5
119.03526	2.2
120.23833	0.5
130.08754	1.5
131.03482	0.5
136.07689	0.9
143.03477	0.6
153.09280	0.5
171.42717	0.5
187.09740	0.7
197.04581	0.8
197.08215	0.5
205.56920	0.5
294.90448	0.7
299.18756	0.6
317.19623	2.8
324.16315	0.6
359.10516	0.9
359.20715	5.5
360.21341	0.8
364.83340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40601	1.5
56.77798	1.5
57.03429	1.4
57.97561	1.7
58.00627	1.5
59.01377	21.5
61.98838	3.3
67.34045	1.3
69.44798	6.6
71.01380	20.6
71.05007	10.2
71.81060	1.4
73.33239	1.4
74.02471	5.8
74.70361	1.6
75.94981	1.4
83.05026	2.1
85.02937	3.5
86.87183	1.4
87.00868	5.9
87.17659	1.4
93.03462	4.4
93.07095	17.4
97.06579	10.8
99.04527	2.4
102.98599	4.7
106.31252	1.6
110.20918	1.5
111.04491	1.8
113.06080	6.7
120.99654	5.3
121.02946	1.9
121.06587	2.6
123.08157	3.4
124.07674	3.4
125.06081	5.6
125.09733	7.7
127.11279	5.7
133.02928	2.3
133.06602	6.5
135.04558	2.6
137.06078	2.3
141.09236	2.5
143.07124	5.8
146.06126	4.4
147.04431	1.9
148.07629	2.7
149.02380	2.5
149.05997	1.6
150.03258	9.0
150.06810	1.5
150.09152	2.7
151.04121	1.9
151.07642	19.7
155.10760	1.7
162.03221	3.1
164.04649	1.7
165.05576	10.9
167.01671	4.3
169.08691	8.0
171.10266	100.0
172.10594	5.5
173.04538	3.5
176.04013	3.4
177.05495	2.0
179.03470	1.9
185.05827	1.6
187.20622	1.5
191.05594	5.7
193.04997	1.7
195.06599	4.9
199.09760	2.5
201.02528	2.2
201.11313	81.4
202.11682	3.3
209.11897	2.3
211.04375	2.5
213.11223	6.4
215.12904	4.2
217.00266	7.0
229.05391	21.2
243.11360	6.1
261.15009	5.2
268.48975	1.6
273.06027	1.7
277.18173	2.7
279.15912	4.4
287.16486	8.4
305.17563	53.1
306.17822	4.8
315.13443	19.7
317.06946	3.8
323.18649	17.3
325.14056	2.6
341.19653	11.4
359.08127	1.6
359.12485	6.0
359.20715	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	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53539	0.5
53.45107	0.5
59.01081	1.1
59.01377	22.9
67.68459	0.5
69.81335	1.3
69.81686	0.8
79.52531	0.5
98.22639	0.6
99.92549	0.8
111.08035	0.6
115.09000	0.6
148.34514	0.5
233.22456	0.6
275.20050	0.5
277.21713	100.0
278.22040	10.0
312.49948	0.6
319.51678	0.6
335.87863	0.6
358.70334	1.0
359.22006	23.5
360.22253	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	359.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98821	17.9
65.89369	5.5
69.66123	11.1
69.66478	13.8
96.96006	10.2
133.88962	5.5
134.19736	5.6
150.98836	6.1
152.91779	8.3
192.95656	6.4
194.92781	21.7
194.95485	12.1
217.00299	22.4
276.93036	7.6
278.79892	5.5
299.02679	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	359.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	75.3
61.98835	38.5
69.44169	65.0
71.01402	41.8
109.06577	45.3
140.24301	17.7
152.91754	21.5
153.62959	20.0
163.11319	27.4
194.92758	48.8
194.95490	34.2
195.93221	22.3
201.02583	27.6
206.22531	17.4
207.10344	22.6
217.00304	68.3
244.39163	16.6
248.48927	19.3
264.37866	16.9
269.50693	18.6
321.05978	18.1
360.27454	100.0
372.57990	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	360.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87278	0.7
59.01374	4.5
71.01376	1.0
72.99296	0.6
85.02949	1.1
88.04070	0.6
89.02466	1.0
97.02892	0.6
101.02467	0.8
101.87196	0.5
113.02441	0.7
114.05627	0.7
132.04552	0.8
138.05577	1.1
144.04535	11.1
144.05562	0.9
160.04028	7.3
162.05602	100.0
163.05939	4.0
181.08646	1.0
188.03552	0.7
191.05550	2.6
192.06023	1.0
226.67488	0.6
229.56647	0.5
237.31435	0.5
322.09274	2.2
324.10873	27.0
325.11105	1.8
360.20996	0.7
361.15018	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	360.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67596	0.6
59.01362	2.5
59.10759	0.6
59.34423	0.6
71.15415	0.7
71.42112	0.7
85.02946	1.4
85.38788	0.7
87.00871	0.7
93.03455	3.6
94.03813	0.9
133.02919	1.7
134.03720	1.4
135.04503	1.4
149.06082	1.8
161.02393	1.0
173.04562	2.5
174.04825	0.9
178.02626	0.9
179.03470	1.3
191.05638	6.6
192.05980	1.7
197.06110	1.6
199.09789	0.7
223.04002	1.2
224.04768	2.2
224.78867	0.7
225.05591	5.4
239.01755	2.4
240.02539	3.3
241.03256	5.1
250.06650	1.0
257.02826	2.2
258.03543	57.8
259.03937	4.3
265.68744	0.7
273.05905	100.0
274.06204	8.7
359.20828	0.8
361.22571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
59.56169	0.7
61.98810	0.8
66.05528	0.6
69.24529	2.8
71.01371	2.8
71.05003	1.7
73.02925	1.0
75.02248	0.7
89.02448	1.2
93.03466	1.0
106.95151	0.8
109.02944	2.1
113.06111	1.1
119.03442	0.8
121.02974	3.7
122.03756	3.7
125.06142	1.3
125.09751	1.0
147.04543	1.1
151.07654	2.1
161.06079	1.0
165.05573	4.6
171.10268	8.6
172.10574	3.6
173.08153	0.8
179.07162	1.8
181.08719	2.4
196.05276	0.8
197.06070	1.5
199.09732	2.1
201.11314	10.2
202.11624	4.0
205.75934	0.8
223.03979	0.8
224.04816	2.6
225.05592	7.8
226.05916	1.1
233.84062	0.8
257.02750	2.2
258.03540	58.8
259.03802	4.0
269.19513	0.9
273.05902	100.0
274.06216	8.9
305.17670	2.2
306.17871	1.6
324.18930	0.8
342.20129	0.9
346.14331	1.4
359.20764	3.2
360.21136	2.7
361.16446	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	360.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
66.31941	0.5
69.42896	2.3
71.73875	0.5
78.21417	0.4
83.17152	0.4
96.69781	0.4
107.95557	0.5
119.59515	0.5
121.02984	0.9
156.09584	0.5
159.04427	0.7
160.05299	2.4
161.05818	2.1
173.04489	0.5
175.07631	1.7
176.07965	1.6
178.06305	0.9
179.06696	0.7
197.06088	5.9
218.30916	0.5
224.04797	1.3
225.05576	21.2
226.05977	1.5
239.06934	0.5
240.07901	7.0
258.03546	54.0
259.03879	3.6
273.05911	100.0
274.06241	8.1
329.13879	1.7
330.14258	6.8
331.14777	0.6
360.08728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	6.1
69.35997	14.3
77.52290	2.8
95.05004	7.2
98.22619	6.7
146.06569	3.1
208.13664	3.1
218.07861	2.9
232.04422	3.9
246.12364	4.7
278.11301	5.5
295.22955	4.3
317.20996	100.0
318.21393	7.8
360.14017	4.9
360.21027	26.7
361.20117	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	360.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90006	1.4
55.84562	1.4
61.98829	100.0
116.92857	1.8
139.06386	1.8
149.94933	1.5
181.51704	1.3
228.69798	1.6
238.42030	1.5
250.03026	1.6
361.21555	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	361.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24001	0.5
59.01366	0.8
61.45922	0.5
69.03460	0.8
70.64680	0.8
71.05012	1.3
72.70689	0.5
90.97137	0.6
99.04515	10.8
115.04008	6.6
116.98689	0.8
130.96614	2.2
143.00290	0.6
143.03485	24.5
144.03894	0.8
144.98222	0.7
155.00267	1.3
161.04544	9.3
170.99753	10.2
173.01260	3.7
197.04959	4.1
198.99219	5.7
201.00858	2.1
207.03323	1.1
209.04897	0.9
212.00116	0.9
217.00278	17.1
223.02892	1.1
225.04434	4.0
235.02879	1.3
239.67114	0.5
253.03946	5.7
269.03378	1.7
271.05069	2.1
281.03452	3.0
297.02896	25.0
298.03162	1.8
299.04431	2.1
313.02432	1.5
315.03848	1.5
325.02377	10.7
326.02698	0.6
343.03427	100.0
344.03754	6.9
361.04504	23.1
362.04880	2.2
375.31808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90485	1.2
59.01377	13.0
59.56964	1.0
61.98819	3.6
70.83887	1.1
71.01373	5.0
71.41101	1.2
85.02934	2.0
87.04497	4.5
89.02446	3.2
90.97099	1.2
101.02431	1.7
113.02428	3.2
119.03497	1.2
119.04943	2.0
131.03505	5.8
132.98079	1.1
136.07655	2.1
137.06076	2.1
137.08014	2.3
138.03239	1.4
153.01552	1.2
155.07130	1.7
158.99756	17.9
161.01292	6.4
161.04527	1.3
174.99228	1.6
182.02197	1.4
186.99237	100.0
187.99579	3.8
191.05582	1.6
201.00787	2.5
202.98810	5.4
217.00330	2.3
229.00262	5.0
230.98236	2.0
240.21234	1.3
249.05927	1.3
283.01263	3.1
301.02429	48.2
301.07556	1.8
302.02594	2.7
360.97144	1.6
361.07581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20162	0.5
69.03458	0.5
69.72748	1.7
71.05019	4.6
82.71667	0.5
88.38728	0.5
97.02981	0.8
99.04515	25.5
102.88976	0.7
115.04007	18.5
116.04346	0.8
117.05565	1.6
130.28455	0.5
130.96663	0.7
143.03497	95.0
144.03853	3.6
155.00208	0.6
159.03024	2.5
161.04555	100.0
162.04929	3.1
166.00415	0.5
170.99783	5.5
173.01334	1.9
197.04907	2.6
198.99170	2.5
201.00800	1.6
202.62279	0.6
207.03398	1.1
217.00262	7.8
223.02913	0.9
225.04422	1.9
235.02893	1.0
253.03990	3.1
269.03394	1.2
271.04993	0.5
281.03525	1.2
297.02905	13.1
298.03210	0.9
325.02325	6.4
343.03439	45.6
344.03711	3.2
361.04544	10.6
362.04562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23467	0.5
59.01376	1.7
61.98816	1.8
71.15671	0.8
72.00904	2.6
74.02475	4.2
99.97137	0.6
115.36223	0.5
116.05050	12.5
116.05836	1.0
123.00853	0.6
124.25346	0.5
130.06618	56.3
131.06987	2.7
141.98203	6.2
142.06601	3.5
144.04509	0.9
159.09251	2.1
162.05598	4.8
163.05920	2.4
175.94121	0.5
186.05621	0.6
187.98712	4.0
195.21997	0.5
197.04480	0.6
203.08226	8.4
203.09941	0.9
213.03461	7.0
214.26944	0.5
246.04512	3.8
246.94461	0.5
247.04662	0.5
255.04439	3.6
259.04022	2.6
262.18350	0.5
271.03915	0.5
280.87164	0.5
301.05029	100.0
302.05380	7.1
306.17075	1.0
307.17551	0.9
324.10968	1.0
324.18106	5.4
325.11267	0.9
325.18341	4.1
361.07428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84301	0.4
59.01375	1.2
61.98820	1.2
71.42619	0.5
72.00912	2.9
74.02473	3.6
83.20592	0.4
88.24460	0.4
95.08018	0.4
116.05067	11.2
117.05431	0.6
130.06625	53.3
131.06973	2.4
132.98183	0.5
141.98224	5.6
142.06621	3.4
144.04536	0.9
157.07713	0.7
158.06137	0.7
159.09286	2.1
162.05627	4.1
163.03983	0.6
163.05946	1.6
168.62485	0.5
187.98753	3.7
199.43555	0.5
203.08276	8.3
213.03404	5.7
215.25200	0.5
232.91640	0.5
241.02859	0.7
246.04492	4.0
255.04431	3.3
255.73112	0.5
256.02859	0.6
259.04010	1.9
273.05417	0.6
285.69583	0.5
301.05045	100.0
302.05408	6.7
306.17114	0.8
307.17459	0.6
324.11081	0.8
324.18124	4.0
325.11304	0.8
325.18472	3.9
360.97842	0.5
361.07312	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	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.1
61.98828	37.5
67.09206	1.8
70.89951	1.8
71.01374	16.4
73.02933	5.0
84.19474	1.6
85.02949	4.0
88.04076	2.2
89.02454	2.7
95.01373	4.1
96.96006	3.8
101.02426	7.9
103.23953	1.9
113.02464	10.6
115.00403	2.1
121.02946	4.4
123.00883	100.0
123.04518	1.9
124.01714	11.9
135.70158	1.6
137.02429	6.2
138.03224	74.7
139.04034	27.0
149.02400	2.8
151.03987	2.5
159.02995	4.2
161.04535	24.2
162.04822	1.9
166.02737	3.4
173.77768	1.8
174.99187	7.2
181.03586	2.1
181.05058	7.6
193.05042	2.8
202.98714	4.2
203.02444	3.0
217.00232	16.5
246.12718	3.5
267.31830	2.0
301.09372	47.1
302.09729	2.1
315.10773	3.4
362.13806	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	361.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99557	0.8
55.01870	1.0
59.01377	100.0
60.01702	1.1
61.63550	0.9
63.12338	0.9
69.03458	10.1
69.23479	5.3
71.01384	18.1
72.16629	0.8
73.02940	4.6
83.01384	1.9
83.05013	1.3
85.02933	4.6
89.02446	23.2
95.01399	1.2
97.06569	1.5
99.08157	4.2
101.02445	9.3
101.85753	1.1
109.06561	1.2
111.08155	1.4
113.02446	65.4
114.02756	1.6
115.07609	0.9
118.98135	1.8
119.03490	9.4
123.08147	1.6
125.09752	5.4
129.09227	5.2
138.81071	0.9
139.07626	2.0
139.11244	1.3
141.09198	2.8
143.03491	2.4
153.09203	1.0
155.03493	0.9
155.10800	2.7
159.10252	4.8
161.04576	2.9
166.34103	0.9
179.05621	4.0
209.11827	31.5
210.12138	1.8
253.18227	2.2
255.19691	4.0
257.21210	2.7
273.20786	1.0
275.82959	1.0
298.57541	1.2
301.16830	1.5
301.20221	15.0
301.23669	1.8
319.17618	6.6
319.21198	63.8
319.72101	1.2
320.21414	4.5
361.18890	1.7
361.22318	40.8
362.22586	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01873	1.0
57.03435	2.4
58.00581	0.5
59.01377	50.7
60.01706	0.6
61.98825	3.6
65.65083	0.5
65.99829	0.8
69.03440	0.9
69.51766	0.9
69.52160	1.3
71.01378	21.3
72.99308	11.6
73.02945	3.2
80.01401	0.9
83.01388	2.2
85.02946	6.3
87.00871	1.3
89.02436	15.9
93.03462	0.6
95.01366	2.5
99.00860	0.9
101.02437	14.6
111.00877	1.0
113.02453	11.5
116.92914	0.7
119.03489	5.9
119.08658	1.8
123.00843	0.6
123.04549	0.7
133.06592	1.1
135.08179	1.9
137.02420	0.8
137.09717	2.0
138.05602	1.7
139.00386	2.3
139.05930	2.2
143.03464	0.8
154.00198	0.9
161.04521	2.2
163.07643	5.4
163.11276	2.0
169.00168	1.7
173.04608	0.9
179.05637	0.9
181.08679	10.2
181.99644	3.7
191.05576	0.9
197.97311	1.0
197.99167	20.8
198.99953	41.3
199.04980	0.9
199.09761	2.7
199.13342	0.7
200.00290	1.9
202.98665	0.7
220.09891	0.6
238.14777	0.5
311.80911	0.5
312.24475	0.6
317.11752	0.7
329.12375	1.5
361.05280	41.0
361.15005	100.0
362.05667	3.2
362.15451	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	361.1654
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
57.03430	1.3
59.01359	1.2
61.98814	2.1
69.03467	0.7
69.33060	2.2
71.05016	1.4
82.95373	0.5
83.05026	4.9
95.31855	0.4
97.06573	0.9
98.22569	1.0
107.05017	1.2
109.06590	1.3
110.21707	0.4
118.96194	0.4
119.08615	0.5
131.01947	0.5
133.06546	2.3
144.35616	0.4
146.07388	0.6
149.09659	0.4
150.06235	0.4
173.09712	0.4
175.11258	0.8
177.12828	1.3
202.98799	0.9
203.10866	0.7
203.14349	2.8
217.00375	0.4
229.12354	2.8
255.17606	1.3
273.18594	8.1
274.18881	0.7
289.18018	0.7
297.14902	0.7
299.16379	1.4
317.17569	6.5
318.17862	0.8
343.15485	1.4
345.99036	0.4
361.16534	100.0
362.16852	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44313	0.3
55.01891	0.4
57.03437	0.5
59.01377	100.0
60.01712	1.4
62.79655	0.3
69.26218	1.9
71.01381	7.8
71.05033	0.4
71.37452	0.3
72.99326	0.4
73.02944	10.0
78.52205	0.4
83.01384	2.4
83.05061	0.3
84.72914	0.3
85.02962	1.2
85.06574	0.5
87.00848	0.4
89.02451	4.3
95.01406	0.4
95.04995	0.4
101.02435	6.9
111.08125	0.4
113.02449	5.0
113.06089	1.0
115.07654	0.7
119.03519	1.9
129.09277	0.6
131.03482	0.9
133.01450	0.6
137.09760	0.5
143.03577	0.4
149.58667	0.3
155.10941	0.6
161.04604	0.9
167.10774	0.4
171.10422	0.4
187.13525	0.6
199.09732	0.6
221.10356	0.5
227.47336	0.4
273.20840	0.4
290.19528	0.4
293.99738	0.4
300.10236	0.4
301.20148	2.1
319.21252	6.6
319.24817	0.5
320.21713	0.5
361.15320	0.7
361.18594	0.5
361.22391	7.8
361.26968	0.5
362.22644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92562	0.5
57.03442	0.9
57.18383	0.6
58.00578	1.2
59.01378	47.1
69.03437	1.5
69.45982	2.3
71.01377	4.5
73.02940	5.5
85.02947	0.9
85.06593	0.5
89.02435	5.4
95.01381	0.8
97.06585	1.5
99.08149	5.6
101.02437	3.3
109.06585	1.8
111.08146	3.8
113.02448	10.9
113.09729	2.0
115.07677	1.0
119.03529	2.5
123.08151	2.1
125.09715	6.7
127.07645	0.6
129.09218	8.3
135.08162	1.1
137.09650	0.6
139.07613	2.6
139.27139	0.5
141.08279	0.5
141.09209	3.2
143.10785	2.1
153.09209	1.9
155.10780	2.0
157.80478	0.6
158.09506	1.6
159.10272	7.9
161.04570	1.2
173.11795	2.5
175.11267	1.3
179.05618	1.6
191.17986	0.8
200.92993	0.5
209.11848	3.8
235.17033	2.1
253.18140	2.5
255.19629	7.5
257.21225	4.1
271.19058	1.4
273.20755	2.2
301.20200	23.6
302.20456	1.6
317.17532	2.2
319.21231	100.0
320.21625	7.8
361.09515	1.6
361.22293	54.3
362.22687	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	361.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42339	1.2
59.01378	100.0
60.01719	1.3
61.98810	2.5
71.01384	4.2
85.02953	2.2
101.02441	3.8
113.02483	2.3
126.44832	1.5
152.01736	1.6
153.02106	2.0
161.04552	1.3
178.25447	1.1
194.02821	6.6
195.03069	4.8
202.98706	2.6
263.23639	1.3
264.38681	1.5
319.21149	3.8
361.09369	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	361.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73864	0.7
56.01220	0.7
57.03428	0.9
57.25915	0.8
57.56752	0.7
58.00591	2.0
59.01376	4.8
61.98827	2.5
69.16533	2.0
69.16958	2.9
71.01393	4.0
73.02937	1.3
83.05020	1.2
89.02467	2.0
98.22692	1.5
111.24690	0.7
116.05748	0.7
125.09739	4.3
127.11307	5.6
137.09749	0.8
139.11250	1.6
141.09221	3.1
141.12848	2.1
151.11287	3.0
152.11536	0.9
153.09189	1.7
155.10779	2.4
157.12325	0.9
167.10693	1.0
171.10269	95.7
172.10602	3.9
174.99350	1.2
185.11833	12.4
187.09819	0.8
195.10226	4.3
201.11327	54.2
202.11702	2.6
202.98756	1.5
204.73103	0.8
213.11320	100.0
214.11650	5.9
217.00304	1.0
229.10838	1.0
231.12369	61.5
232.12709	3.8
258.03580	1.0
259.55872	1.0
273.05869	1.4
325.20120	2.7
350.43182	0.9
361.22302	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	361.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.00586	3.0
59.01397	6.1
61.98845	2.4
71.01388	2.8
71.18172	1.5
73.02937	2.2
81.16982	1.0
83.05006	1.0
88.00365	1.0
113.02454	2.6
125.09743	11.1
127.11302	5.8
141.09190	3.1
141.12888	1.1
151.11316	3.0
153.09161	2.2
155.10754	2.8
157.12308	1.5
161.02371	1.6
165.09258	1.2
167.10736	1.8
169.12305	1.6
171.10275	85.2
172.10614	4.6
174.99287	1.2
185.11852	15.9
195.10201	4.4
199.09760	2.6
201.11322	68.7
202.11676	2.8
202.98715	1.5
213.11320	100.0
214.11641	5.6
215.12833	2.1
231.12376	46.9
232.12726	2.2
243.12402	2.7
246.18806	1.8
290.17645	5.1
307.19296	5.4
325.20013	4.6
334.16650	7.4
361.17886	1.6
361.22180	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	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83302	0.7
59.01379	18.2
62.25521	0.7
67.99260	0.7
68.71781	0.7
69.37033	3.3
74.08601	0.7
78.51225	0.7
99.92557	1.0
114.70335	0.7
279.23285	100.0
280.23627	11.6
284.82782	0.7
361.03796	0.8
361.23618	25.6
361.27634	1.4
362.23691	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	361.2383
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
68.91607	1.5
82.52077	1.4
88.03423	1.4
109.02950	2.1
110.03720	5.4
122.28861	1.4
125.02403	1.6
137.02425	3.6
138.03230	7.2
166.02704	4.3
179.03482	6.7
180.04282	2.0
221.08296	2.4
333.24316	4.5
352.01263	1.7
361.23813	100.0
362.24246	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	361.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	83.4
61.98822	100.0
69.55840	82.7
85.77371	32.8
88.90949	34.1
98.22708	50.1
174.99214	56.2
177.87100	32.9
202.98767	99.6
214.19801	32.9
217.00259	38.8
236.22250	34.8
239.76083	38.1
314.84497	35.4
318.26462	41.1
328.41824	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	362.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
59.01371	3.1
61.98825	100.0
70.17204	1.8
71.04340	0.7
73.02937	4.1
83.05028	1.7
85.02933	1.0
87.04518	1.8
95.05021	0.8
97.06564	5.1
98.09798	1.0
124.07679	1.4
130.06598	3.6
131.06963	3.9
142.08762	2.8
144.31046	0.7
149.41643	0.7
154.08704	2.2
162.05583	10.8
170.11818	1.2
172.09782	3.4
182.11766	1.1
190.10823	2.6
262.18121	2.2
302.05365	9.0
306.17075	3.1
314.19763	8.0
315.20132	0.9
324.10843	2.9
324.18149	16.4
325.18533	2.0
326.18890	1.7
332.20813	1.9
344.20700	1.9
362.21805	24.3
363.16714	1.1
363.22214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99060	0.8
52.25144	0.9
55.01875	1.1
59.01378	100.0
60.01698	1.3
61.98825	5.2
71.01382	18.0
72.99306	1.0
73.02940	2.8
75.74848	1.1
75.80674	1.0
77.87529	1.1
85.02950	2.8
87.00863	1.3
87.14981	1.1
89.02444	28.3
90.97160	1.1
99.00858	1.2
101.02431	9.7
108.53366	0.9
113.02448	8.9
119.03477	13.0
122.06120	30.3
127.96735	1.0
131.03522	3.8
137.68121	1.1
139.03946	2.4
141.05542	1.1
143.03468	4.7
149.04553	1.5
159.03027	2.1
161.04573	6.8
161.10774	1.0
167.99748	6.4
170.01350	14.4
179.05623	16.7
186.99173	3.2
187.99519	2.1
203.98235	2.2
204.95818	3.0
214.00368	1.7
216.01863	7.8
218.07623	1.0
244.55865	1.0
302.02673	1.4
362.05557	19.4
362.94470	1.6
363.05435	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	362.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	100.0
61.98823	93.9
68.19218	26.3
71.41944	27.0
74.43752	23.3
85.10162	23.6
154.69679	22.5
306.68695	26.4
314.86575	25.5
358.09897	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	100.0
61.98823	93.9
68.19218	26.3
71.41944	27.0
74.43752	23.3
85.10162	23.6
154.69679	22.5
306.68695	26.4
314.86575	25.5
358.09897	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32246	8.0
59.01381	100.0
61.98827	21.7
64.55354	7.5
71.01380	23.3
73.02927	10.5
85.02970	10.0
92.02554	8.1
101.02462	16.9
106.00909	8.4
111.04556	7.6
113.02473	8.3
124.78207	7.4
127.33329	8.5
135.04532	15.0
137.89282	7.2
142.04124	29.5
161.02480	12.4
168.05666	34.8
173.04564	9.2
191.05533	13.2
212.04707	43.3
218.20351	7.5
268.57870	7.5
276.34775	8.6
280.06003	9.8
280.44238	9.0
349.88647	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	362.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18979	0.9
57.03447	100.0
58.03781	1.2
59.01381	23.9
61.79237	0.8
61.98824	3.7
69.03437	1.5
70.68703	1.2
71.01382	9.7
71.41997	0.9
73.02943	3.5
83.01403	1.5
85.02940	12.1
87.00883	1.4
87.04518	4.1
89.02428	7.0
93.03465	2.6
95.01399	1.1
95.05029	1.9
97.02969	1.4
99.00866	1.2
101.02440	5.6
111.00850	1.5
111.04465	1.0
113.02448	90.0
114.02757	2.5
115.04008	1.7
119.03516	2.5
119.05019	5.6
120.05383	2.2
139.07625	1.8
143.03479	1.1
147.04504	3.2
147.67740	0.9
161.04526	1.5
161.15845	0.9
163.04015	6.1
163.24727	1.1
164.04353	1.9
165.05647	2.2
170.93233	0.9
174.01714	1.5
175.02477	1.1
191.05676	2.3
201.07712	2.4
220.13432	5.6
222.14977	4.9
228.11356	1.0
288.16043	2.3
302.17535	2.2
318.20795	1.8
325.09106	1.4
325.92197	1.0
345.15674	0.9
362.15753	1.7
362.19687	5.9
363.12747	2.3
363.16602	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	362.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10084	1.5
51.53150	1.4
53.92383	1.6
56.16544	1.7
59.01377	100.0
61.98819	5.1
70.63987	1.8
78.22092	1.7
171.82602	1.5
219.97876	2.0
262.81277	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35092	1.0
55.01879	1.1
55.75023	0.9
57.03439	3.9
59.01076	1.9
59.01377	38.5
63.60406	1.0
67.01878	1.6
68.91174	1.0
68.99826	1.1
69.03461	1.7
71.01380	33.3
72.99299	7.4
73.02948	3.0
75.00868	32.2
81.03412	1.1
83.01384	2.3
85.02456	2.5
85.02951	37.8
87.00867	13.5
89.02443	7.5
91.03963	1.4
95.01378	7.9
95.05008	1.7
97.02975	1.3
99.00876	13.6
101.02460	2.1
102.99778	1.0
103.00365	5.5
113.02448	48.6
113.06082	52.8
114.02793	2.5
114.06420	1.6
115.00375	3.0
117.01943	3.6
129.01930	3.2
129.54858	1.1
131.03499	1.5
157.01401	2.5
175.02481	4.5
205.07175	3.8
211.68359	1.2
223.08322	1.3
231.05142	4.6
249.06151	35.2
250.06540	1.6
267.07199	60.5
268.07538	3.5
287.10516	2.6
303.10840	1.4
363.12964	100.0
364.13318	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	363.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03441	1.8
59.01377	23.2
69.03455	2.9
69.45863	2.4
71.01380	24.8
72.01721	0.6
72.99305	14.8
73.02940	8.7
75.00867	1.6
83.01373	5.1
85.02948	13.4
86.00106	1.7
87.00871	2.9
87.04485	0.6
89.02441	5.6
95.01394	2.2
99.00866	3.7
99.04506	2.1
101.02438	21.1
111.00875	0.9
113.02447	19.6
113.06089	0.7
119.03504	1.6
125.02404	0.9
129.01883	1.2
133.03966	1.6
134.04753	2.9
143.03539	1.0
159.02985	2.1
159.06624	4.0
161.04552	16.0
183.10251	3.4
188.09366	5.1
189.02141	0.5
201.11278	3.5
214.07338	1.5
232.08269	2.8
249.09785	18.2
257.12933	1.1
267.07199	2.9
268.07608	0.7
319.17993	0.9
345.15411	1.7
363.13031	4.1
363.16595	100.0
364.12894	0.8
364.16910	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	363.1602
Annotation	Bulbocol
Peak:m/z	Relative Intensity
61.98838	6.7
70.85739	1.5
70.86081	1.3
76.03709	1.2
87.14434	1.1
91.05510	2.0
93.03471	1.6
102.86732	1.1
105.75954	1.2
106.11204	1.1
108.02175	22.3
113.09689	2.2
123.04528	40.2
124.04899	1.6
135.04535	2.5
148.05305	32.4
148.06422	2.4
154.56906	1.2
171.10277	1.6
201.11319	10.9
213.11345	7.0
221.30791	1.3
227.10750	1.9
239.07216	24.4
239.10770	100.0
240.07698	2.1
240.11110	8.0
241.05086	2.5
241.08559	1.3
298.76794	1.3
309.20789	1.7
327.21756	28.5
328.22232	3.7
329.11920	2.7
331.13403	39.1
332.13669	4.8
345.11298	4.3
363.12405	2.2
363.16046	52.9
364.16312	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55632	0.2
59.01376	100.0
60.01714	0.9
69.78294	0.6
71.01375	2.2
73.02947	1.2
77.43223	0.3
85.02952	1.0
85.03478	0.3
86.64804	0.3
89.02440	0.6
98.22542	0.4
101.02480	1.4
113.02452	1.0
123.22465	0.3
161.04579	0.9
202.64180	0.3
223.80574	0.4
229.08807	0.3
257.08115	0.5
321.22049	0.6
363.16269	0.6
363.23920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09633	0.6
55.01880	3.5
56.34202	0.6
57.03434	2.5
59.01376	32.2
59.33610	0.6
60.01709	0.7
69.03457	2.2
69.66524	1.6
71.01378	30.6
72.99305	13.5
73.02941	11.5
75.00880	2.0
83.01385	6.9
85.02948	16.3
86.00095	2.2
87.00883	3.8
89.02445	9.2
95.01408	2.9
97.02945	1.2
99.00893	3.7
101.02441	26.2
111.00894	1.1
113.02447	22.5
113.06046	0.6
114.02744	0.7
119.03491	2.7
129.01967	0.7
139.04092	0.6
139.11238	0.6
143.03561	1.2
159.02998	3.1
159.06642	4.5
161.04550	17.7
163.03999	0.9
183.10233	5.0
201.11278	3.8
249.09772	14.1
250.10114	0.7
257.12949	1.4
267.07227	1.0
345.15457	1.8
363.13138	3.6
363.16583	100.0
364.12885	0.8
364.16971	8.7
382.52841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18555	0.4
53.36373	0.5
55.01871	1.4
56.29123	0.5
57.03433	1.4
59.01379	16.6
68.33070	0.5
71.01379	11.7
72.27278	0.5
72.99306	14.9
73.02940	5.7
75.00873	0.6
83.01375	2.9
85.02959	6.3
86.00092	1.0
87.00882	0.7
89.02447	3.5
89.34186	0.4
95.01408	1.2
98.21882	1.2
99.00887	1.5
101.02440	12.6
102.70724	0.5
103.89661	0.5
111.00890	0.9
113.02454	5.6
119.03505	1.3
150.03108	0.6
155.10736	0.7
159.06659	0.7
161.04533	2.0
175.03447	0.6
183.10236	1.9
201.11287	2.2
228.73022	0.5
249.09750	1.5
317.16129	0.8
345.15570	1.0
346.15939	0.5
363.16586	100.0
364.16953	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95983	0.3
54.05397	0.3
54.06934	0.3
59.01379	100.0
60.01706	0.9
69.08775	0.3
69.47128	0.7
69.47533	1.1
71.01390	2.1
73.02948	0.7
76.15225	0.3
85.02951	0.8
88.29941	0.3
89.02448	0.9
93.03483	0.9
101.02479	1.2
107.03513	0.3
113.02481	1.5
114.02808	0.7
137.02446	2.4
137.76253	0.4
161.04643	0.5
201.11388	0.5
315.08957	0.4
334.23807	0.3
345.09918	0.5
363.12411	1.0
363.16812	2.5
363.23984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1811
Annotation	Rabdoternin A
Peak:m/z	Relative Intensity
51.65689	0.3
57.03437	1.0
58.27098	0.3
59.01369	0.4
69.03451	0.8
69.22257	2.0
71.05013	0.5
83.05021	1.4
86.06576	0.3
93.03452	0.3
95.05025	2.8
98.22627	0.6
108.94313	0.3
109.06626	0.3
113.02485	0.7
121.06607	0.4
122.03729	0.5
125.36428	0.3
135.08173	2.8
137.09717	3.8
163.07668	0.7
177.12883	0.4
181.08661	1.6
203.14365	0.6
208.54172	0.4
215.14436	1.8
229.16039	0.3
231.14044	0.4
231.17348	0.4
243.14005	0.5
245.19115	0.4
255.17552	0.9
257.15463	16.3
258.15897	1.5
259.13358	1.2
271.17026	1.8
273.18604	11.3
274.18997	1.0
283.17032	1.3
285.15198	0.6
301.18063	5.2
302.18344	0.6
317.17560	34.8
318.17899	3.4
319.19125	2.4
345.17053	33.8
346.17453	3.8
355.36734	0.3
363.18124	100.0
364.18439	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	363.1812
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
54.51972	3.6
59.01369	7.5
60.25630	4.7
61.98826	8.9
63.09154	4.0
66.14964	4.0
70.44247	8.0
121.02924	6.7
144.21507	4.3
213.91266	4.0
214.41486	4.1
241.15948	24.7
255.17406	4.4
257.19022	7.9
275.59882	4.2
282.24368	4.4
301.18127	46.6
304.67328	5.4
319.19394	4.9
338.16589	4.3
345.16974	10.2
363.18066	100.0
364.18265	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	363.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21648	2.1
55.92284	2.1
57.03449	4.5
59.01371	2.3
60.98062	2.0
61.98823	5.2
63.46483	2.1
63.55988	2.0
69.52488	5.0
69.52868	4.5
71.79748	1.9
73.02950	2.2
79.96024	2.0
93.58920	2.2
98.22644	3.9
109.93108	1.8
113.09723	11.6
125.09757	2.8
127.11266	5.1
128.56569	2.3
130.35504	2.2
155.97108	2.3
165.45729	2.0
171.10255	6.2
176.35393	2.0
199.09686	3.4
201.11308	39.2
208.96321	2.3
213.11288	22.8
231.86284	2.4
261.35150	2.0
285.80908	2.3
291.19470	5.2
309.20538	8.1
327.21729	100.0
328.22034	9.1
353.54077	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	363.2176
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.54298	0.6
57.03434	0.9
59.01377	10.7
60.01711	0.9
61.98825	1.5
71.01392	1.4
71.12897	0.6
73.02939	1.9
76.98516	0.6
81.03435	0.7
81.07082	0.8
83.05013	2.4
85.02957	3.3
95.05034	1.4
97.02951	0.9
99.04524	1.8
101.03875	0.7
107.05018	1.3
108.02145	1.5
109.02981	1.3
109.06595	3.6
111.04545	1.1
121.02909	1.0
123.04530	2.0
125.06101	0.9
127.04015	1.1
135.04514	1.1
136.05330	0.7
137.06070	3.8
139.03989	0.7
140.04793	2.3
149.09731	2.7
151.03986	2.1
151.07613	4.0
152.04782	1.5
153.05574	1.2
169.05034	5.0
172.03766	9.8
175.07678	3.1
178.06302	3.6
193.08699	3.7
195.06487	0.6
211.09712	0.7
213.07698	0.7
216.69507	0.7
276.86746	0.6
345.20886	0.9
363.21747	100.0
364.22058	11.4
388.39774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39016	0.8
53.77380	0.8
54.12561	0.7
56.68433	1.0
61.98838	1.4
64.00401	0.9
69.57604	3.2
70.02983	1.6
83.54763	1.0
103.92275	0.9
127.11331	1.3
141.12845	8.3
141.13817	1.0
147.94846	0.8
155.14391	3.5
156.65274	0.9
156.66672	0.9
249.22290	9.5
295.22766	100.0
296.23093	7.3
363.21509	4.7
364.20999	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	363.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	39.1
63.80074	25.4
64.93100	24.8
68.97565	23.0
71.53944	32.3
81.52579	28.2
84.25945	25.8
91.04266	25.5
110.30296	28.2
116.92871	48.5
116.97253	36.1
263.41330	33.2
294.17850	100.0
295.22739	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.00586	0.4
59.01374	2.7
61.98822	0.6
69.03439	0.3
70.14482	0.3
70.14810	0.5
71.01384	0.6
71.05019	0.7
72.81520	0.2
73.02937	2.3
83.05016	0.7
85.02949	0.3
85.06585	2.3
95.04999	0.3
97.06584	1.6
109.06587	0.3
111.08175	0.6
113.02335	0.3
113.09760	0.5
115.07648	2.3
123.08179	0.5
125.06072	1.5
125.09700	2.2
127.07739	0.4
127.11288	2.7
137.09691	0.6
139.07628	0.8
141.09233	0.7
143.10811	0.6
145.08716	1.4
153.09215	0.6
155.10782	2.2
157.12340	0.5
159.10258	1.2
163.28568	0.2
165.09227	0.7
167.03490	0.3
167.10712	0.3
167.14383	0.3
171.10260	8.3
172.10583	0.4
173.11775	0.5
181.12404	0.4
183.10220	1.0
183.13892	0.7
185.11874	0.3
193.12320	0.3
197.11772	0.5
198.33270	0.3
199.09749	0.5
199.13385	2.7
200.13481	0.2
201.11319	12.3
202.11693	0.4
211.13370	3.2
213.11320	0.5
215.12871	4.5
217.14445	3.5
229.14388	2.1
275.13126	0.3
327.21674	0.6
345.22818	6.0
346.23251	0.6
363.23846	100.0
364.24213	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	363.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19444	42.0
54.64274	52.0
56.57084	41.1
60.06908	45.5
62.89441	40.6
70.42852	100.0
101.39333	48.3
112.88811	40.9
152.97990	57.2
169.31357	47.0
277.82123	50.5
312.62299	57.4
337.77948	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	364.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.4
61.98827	100.0
68.31379	0.7
71.01395	2.6
71.41625	0.7
78.95903	12.2
83.99019	0.6
89.02438	1.6
96.96016	9.9
96.96973	23.6
101.02455	0.7
104.12601	0.7
105.92274	0.8
125.27481	0.7
134.04794	0.8
140.07909	0.6
143.03561	0.9
149.38342	0.6
149.84538	0.6
167.03516	2.0
196.01633	0.7
209.04077	0.7
228.92526	0.8
284.87430	0.9
354.47894	0.7
364.13535	2.2
365.14301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32870	0.5
59.01378	1.9
61.98829	100.0
66.85864	0.6
90.74212	0.6
97.40884	0.6
118.48998	0.6
137.02524	0.8
144.43681	0.6
159.62430	0.7
228.77362	0.8
229.08617	0.9
284.12820	0.8
301.14539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
59.01378	100.0
61.98853	2.2
69.57928	8.6
71.01376	34.7
73.02943	29.9
74.16344	2.0
79.95727	9.7
83.01377	10.1
84.04534	20.1
85.02937	8.2
87.00884	2.3
89.02440	20.7
93.03452	3.3
95.01387	4.7
97.02959	2.2
101.02443	27.0
105.48847	2.4
111.04498	2.5
113.02466	21.3
118.39199	2.0
119.03497	7.4
125.02424	3.2
125.99568	3.6
127.04066	2.4
135.04524	2.8
137.06091	3.9
138.03203	2.8
142.06618	3.6
143.03485	3.1
153.05536	2.4
160.07640	5.2
161.02386	3.3
161.04562	5.5
173.04539	5.7
180.36058	2.2
222.11317	12.2
225.09222	29.8
252.07854	8.1
253.08707	25.0
255.06744	4.0
260.12946	10.9
260.77527	2.3
267.10345	3.5
304.11813	19.3
320.14923	8.7
322.12964	26.0
323.13489	3.1
332.11423	4.1
364.13959	5.7
364.21222	2.7
365.06992	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	364.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.7
61.98830	100.0
64.27866	4.6
69.27404	23.5
77.29086	5.0
98.22661	9.5
121.03004	4.4
285.11398	6.1
329.23267	88.7
364.16278	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
59.01378	100.0
61.98853	2.2
69.57928	8.6
71.01376	34.7
73.02943	29.9
74.16344	2.0
79.95727	9.7
83.01377	10.1
84.04534	20.1
85.02937	8.2
87.00884	2.3
89.02440	20.7
93.03452	3.3
95.01387	4.7
97.02959	2.2
101.02443	27.0
105.48847	2.4
111.04498	2.5
113.02466	21.3
118.39199	2.0
119.03497	7.4
125.02424	3.2
125.99568	3.6
127.04066	2.4
135.04524	2.8
137.06091	3.9
138.03203	2.8
142.06618	3.6
143.03485	3.1
153.05536	2.4
160.07640	5.2
161.02386	3.3
161.04562	5.5
173.04539	5.7
180.36058	2.2
222.11317	12.2
225.09222	29.8
252.07854	8.1
253.08707	25.0
255.06744	4.0
260.12946	10.9
260.77527	2.3
267.10345	3.5
304.11813	19.3
320.14923	8.7
322.12964	26.0
323.13489	3.1
332.11423	4.1
364.13959	5.7
364.21222	2.7
365.06992	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	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.5
61.98829	100.0
71.01379	1.8
73.02949	1.1
83.08578	0.4
85.02959	0.9
101.02460	1.3
102.02859	0.4
113.02441	0.8
156.73674	0.4
161.04584	0.7
162.04842	0.5
187.18188	0.4
276.16171	1.1
320.14951	0.4
364.20709	1.9
365.18262	0.5
369.79291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83825	0.8
69.55737	0.7
69.58515	2.5
77.05245	0.8
79.63907	0.7
93.68182	0.7
127.11252	1.4
141.12857	10.2
153.31157	0.8
155.14427	4.8
156.14828	0.8
157.35742	0.8
249.22246	11.2
250.22545	2.0
260.94788	0.9
277.21695	0.9
295.22769	100.0
296.23099	29.7
297.23343	1.1
336.46936	1.0
350.93723	0.8
364.21036	30.5
365.21283	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	365.0795
Annotation	Pochonin A
Peak:m/z	Relative Intensity
52.70422	0.4
56.37325	0.5
59.01361	1.1
63.54897	0.5
88.26488	0.5
91.01884	0.5
93.03457	2.0
114.99553	9.0
115.05596	0.5
115.99940	0.5
117.03480	0.9
119.01394	1.4
119.05014	0.6
121.02967	1.3
132.02158	0.7
138.99582	1.0
145.02826	0.5
145.06651	0.5
147.00868	1.2
157.00616	2.4
160.01666	0.9
161.02428	2.3
171.08167	0.7
173.06032	1.0
174.03204	0.7
175.03954	0.7
175.07710	1.2
178.99040	0.7
179.99844	4.4
181.00485	0.7
182.98529	32.0
183.98891	1.3
187.00371	0.9
188.01163	5.2
189.01857	0.8
193.00708	0.5
196.59833	0.5
197.06062	0.9
199.07658	0.6
200.99654	1.0
201.05685	0.6
204.85875	0.5
213.05626	0.6
215.07133	0.8
217.17213	0.4
223.98799	2.1
224.99591	1.5
241.08702	0.6
246.82086	0.5
247.12433	0.5
285.11459	0.5
330.58188	0.5
347.06879	5.3
348.07196	0.6
365.07950	100.0
366.08286	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	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01377	2.6
61.98827	2.2
67.51894	0.2
69.49136	1.2
71.01393	1.5
72.99302	0.3
73.02931	0.8
75.00862	0.8
76.94344	0.3
76.97947	0.3
77.50797	0.3
77.86971	0.3
80.04003	0.4
80.31665	0.4
85.02929	1.5
87.00855	0.7
91.04003	0.3
92.32285	0.3
95.01376	0.4
98.22580	0.6
99.00901	0.5
113.02448	1.7
115.07639	7.1
123.04531	0.5
130.08725	0.8
157.02892	0.6
158.03726	15.7
159.04510	6.8
171.04558	1.9
173.06013	0.6
185.05952	0.4
191.05640	0.3
201.01926	0.8
201.05560	2.5
202.02713	100.0
203.03204	8.2
213.05571	2.6
214.05815	0.3
215.03555	0.4
227.03395	0.8
231.06635	1.5
245.04520	1.3
249.06070	1.1
275.05569	2.0
335.18124	0.4
365.08762	51.1
365.14297	5.2
366.09149	5.2
366.15085	1.4
373.21024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.1
61.98829	100.0
89.02465	2.3
90.29330	1.9
96.96000	6.4
130.38567	1.9
151.02736	7.5
153.59447	1.8
156.95992	1.7
159.17418	1.7
201.02487	2.7
270.07724	4.3
302.10272	26.6
357.24176	1.8
365.19769	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	365.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01728	1.0
61.98815	0.9
67.01887	8.9
70.98582	1.0
71.01379	10.6
73.02953	2.0
85.02961	6.7
89.02445	6.8
89.08907	1.1
99.04511	14.4
101.02461	4.3
109.29464	1.0
113.02471	4.6
115.04015	2.2
119.03500	3.3
123.04616	1.2
129.01953	8.0
133.02979	1.3
143.03497	89.4
144.03932	2.4
161.04552	2.2
167.03487	3.5
202.54741	1.2
251.07753	2.8
291.07211	2.7
305.08969	2.2
305.12415	2.2
308.35431	1.0
365.14438	3.6
365.18518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	2.0
59.01371	15.4
59.55611	2.2
61.98818	2.5
71.01369	5.5
71.05048	2.3
73.02939	6.6
97.06587	3.7
113.02439	10.1
113.06080	17.3
121.02963	29.5
125.02284	2.5
125.06076	8.0
136.05298	24.6
151.07666	2.8
161.04466	2.8
168.04286	5.1
230.09404	14.6
233.11812	4.3
234.12605	6.6
245.11778	7.8
262.11987	6.8
277.14432	100.0
278.14758	10.0
323.09894	4.7
328.37323	2.7
364.20914	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	365.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35992	0.9
52.05249	0.9
55.01872	2.5
57.03442	2.0
59.01375	30.0
69.03456	7.9
69.65670	3.1
69.66011	1.1
71.01376	37.9
73.02938	15.4
75.00868	2.6
83.01389	7.2
83.15041	0.9
85.02947	17.1
85.29790	0.8
87.00882	1.5
89.02447	9.9
95.01393	2.3
97.02943	1.5
99.00885	6.4
101.02435	37.8
107.94822	0.9
113.02444	49.6
119.03503	4.0
125.02354	1.2
129.01917	1.3
143.03517	1.5
159.02950	3.8
161.04549	34.5
162.04915	1.3
189.09750	1.4
221.00269	0.9
251.11342	100.0
252.11649	6.8
289.07233	2.5
309.66513	1.0
370.19315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
55.87518	0.5
57.03445	2.2
59.01375	25.6
61.98833	2.4
67.01868	0.5
68.99815	0.8
69.03450	1.0
71.01373	13.6
72.99303	3.9
73.02921	1.8
75.00868	15.2
83.01379	0.5
85.02946	15.6
85.03464	1.0
87.00867	7.3
89.01949	0.5
89.02427	2.9
95.01388	4.1
98.01582	0.4
98.21748	0.6
99.00873	9.1
99.31691	0.4
101.02415	0.5
103.00352	1.7
111.00881	1.1
113.02444	21.2
114.02804	0.6
115.00377	1.7
115.07642	100.0
116.07997	3.4
117.01913	2.6
129.01921	1.4
144.04553	1.3
146.06174	1.2
157.74619	0.4
162.05621	3.4
175.02502	2.2
181.12317	1.0
183.10205	0.7
186.06516	0.4
204.06641	12.7
205.07297	0.9
215.11067	2.6
217.09001	2.1
225.11391	0.6
231.05164	1.2
249.06143	14.4
250.06442	0.6
267.07159	1.8
277.11234	1.6
321.20816	2.0
347.13403	3.4
365.14578	62.4
365.19565	6.7
365.24420	1.6
366.14908	6.0
366.19827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
55.25058	1.6
57.03430	4.2
58.08833	1.6
59.01377	44.9
59.54795	1.5
62.98050	1.4
69.03448	7.2
70.14809	4.0
70.70325	1.6
71.01379	45.1
73.02935	17.7
75.00861	1.9
83.01390	8.4
85.02940	25.8
87.00876	3.0
89.02451	9.9
95.01367	3.9
98.22610	2.1
99.00895	4.9
101.02442	54.1
101.06084	20.0
113.02444	66.3
119.03488	3.2
127.34103	1.6
129.01970	2.1
132.04535	9.5
143.03496	3.3
147.62489	1.6
159.03014	4.7
160.04019	5.4
161.04552	44.3
203.12819	2.0
204.03041	2.9
251.11353	100.0
252.11720	5.8
347.17239	3.6
365.14346	4.5
365.18289	24.5
366.18597	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03443	1.8
59.01377	26.5
60.51507	0.7
69.03458	16.3
69.61224	2.3
69.61557	0.9
71.01380	28.7
72.99293	1.1
73.02945	11.4
75.00874	6.8
83.01378	7.0
85.02949	15.5
87.00887	2.2
89.02440	5.3
95.01405	2.2
97.02938	1.1
98.00072	1.1
99.00873	3.1
101.02440	22.9
101.06078	1.5
111.00916	1.1
113.02448	100.0
114.02791	3.2
119.03503	0.9
125.02390	0.7
133.51053	0.7
143.03487	2.2
157.12341	1.6
159.02977	2.8
161.04541	14.2
178.34508	0.7
203.12857	3.0
218.07886	0.6
225.92528	0.7
251.11365	39.5
252.11742	1.6
269.07632	1.2
278.62799	0.9
365.13467	2.7
365.18030	29.9
365.21848	2.9
366.18350	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
56.46198	0.5
57.03444	2.7
57.06427	0.5
59.01377	17.7
61.98826	5.1
67.01883	1.1
68.99828	1.0
69.39581	1.0
69.39978	1.1
71.01379	14.0
72.99305	4.0
73.02946	1.7
75.00867	17.2
75.83437	0.5
76.97595	0.5
78.42628	0.5
81.80452	0.5
83.01382	0.9
83.05063	0.6
85.02945	16.9
87.00872	6.7
88.19414	0.5
89.02432	4.1
93.03487	0.8
95.01378	4.8
97.07413	0.5
99.00873	8.5
103.00370	1.6
113.02449	20.9
114.02805	0.8
114.40353	0.5
115.00360	1.6
115.07645	100.0
116.07953	3.5
117.01913	2.9
125.02447	0.7
129.01918	1.5
135.04500	0.7
144.04562	0.8
157.01357	0.6
175.02461	2.1
190.82899	0.6
191.05580	1.8
199.34561	0.6
205.07106	0.9
231.05132	2.4
249.06143	16.4
250.06563	0.7
267.07214	1.8
285.03949	0.8
303.05161	0.7
305.12350	1.1
347.13480	2.2
365.14493	74.5
366.14856	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
56.48299	0.6
57.03437	2.7
59.01378	17.2
60.22048	0.6
68.94428	0.6
68.99818	0.8
69.39542	2.3
71.01381	12.9
72.99297	3.5
73.02932	1.5
75.00874	14.4
76.20788	0.6
79.37086	0.6
81.03468	0.7
85.02953	16.5
87.00865	6.6
89.02419	3.4
95.01385	4.9
98.22652	1.2
99.00883	8.4
102.23047	0.6
103.00375	2.0
113.02449	19.4
115.00356	2.2
115.07648	100.0
116.07970	3.2
117.01945	3.2
124.21763	0.6
129.01961	1.8
157.01424	1.2
160.23299	0.7
175.02490	3.0
205.07243	1.0
231.05013	1.6
249.06165	16.5
250.06456	1.4
250.67168	0.7
267.07196	2.6
305.12512	1.1
347.13638	3.1
365.14508	77.2
366.14880	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
57.03438	3.0
59.01378	36.4
69.03462	7.7
69.14259	1.1
69.14671	4.6
71.01381	42.5
73.02946	13.8
75.00864	3.2
83.01377	7.2
85.02948	19.7
87.00858	1.8
89.02454	10.1
91.03889	1.1
95.01402	2.4
97.02927	1.1
99.00865	5.1
101.02440	39.9
101.06084	8.3
102.02773	1.2
111.00949	0.9
113.02449	47.9
114.02744	1.0
118.04150	0.9
119.03468	3.0
125.02393	1.1
128.66061	0.9
143.03471	2.6
159.02991	4.3
161.04559	37.9
162.04825	1.5
230.23634	0.9
251.11359	100.0
252.09363	1.1
252.11571	5.2
365.14337	3.0
365.18179	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	365.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03430	2.8
57.95433	0.9
58.74715	0.8
59.01377	34.3
69.03451	7.6
69.65804	2.9
69.66172	1.7
71.01377	37.1
73.02946	12.5
74.21142	0.8
75.00867	1.7
83.01397	7.2
85.02946	19.6
87.00865	3.6
89.02434	8.0
95.01394	3.8
98.21916	1.9
99.00864	3.5
101.02436	36.5
101.06075	21.5
111.00885	1.5
113.02443	48.0
119.03476	3.5
122.05405	0.9
125.02461	1.2
129.01924	1.0
132.04529	1.1
134.04674	1.1
143.03494	2.9
159.02994	3.7
160.03943	1.3
161.04555	29.6
162.04886	1.4
205.07106	1.3
209.36464	0.9
251.11340	100.0
252.11739	6.0
289.07150	1.6
309.31335	0.9
365.14328	6.2
365.18469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
57.03441	3.5
59.01378	50.0
61.65361	1.1
69.03445	4.3
69.18789	3.4
69.19199	2.4
71.01376	33.8
72.99306	8.0
73.02946	9.1
74.33871	1.0
75.00875	21.9
83.01378	3.2
85.02951	36.1
86.03343	1.5
87.00876	13.4
89.02441	10.2
93.03435	1.4
95.01384	7.7
99.00874	13.1
101.02439	13.0
101.56103	1.2
103.00356	3.3
111.00848	1.3
113.02446	57.6
115.00318	2.1
115.07646	99.0
116.07967	3.3
116.57964	1.1
117.01938	3.0
119.03500	1.2
124.05646	1.1
125.02534	1.1
129.01932	2.3
131.03508	1.2
157.12372	1.3
161.04565	4.2
175.02496	3.6
203.12854	4.4
205.07149	3.6
249.06256	6.9
251.11362	8.0
267.07214	8.5
267.09674	1.2
269.07642	1.7
305.12091	1.9
347.13269	2.6
365.14371	100.0
365.18225	58.6
366.14658	8.6
366.18610	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03447	2.6
59.01078	1.4
59.01376	26.5
67.01877	1.8
67.03001	1.6
68.99809	1.4
69.03452	3.7
71.01377	17.9
72.99301	1.0
73.02949	8.2
75.00869	19.4
75.01297	1.0
83.01384	3.5
84.29475	0.9
85.02943	16.1
85.03448	1.0
86.00084	0.9
87.00851	4.7
89.02428	5.1
93.90874	0.9
95.01377	3.0
97.02951	1.2
98.21807	1.9
98.86555	0.9
99.00888	2.0
101.02434	14.4
101.06075	100.0
102.06429	2.3
111.00867	2.3
113.02442	41.1
114.02710	1.3
115.07648	3.9
119.03488	1.5
119.05064	0.9
143.03502	1.2
153.06685	3.8
159.03026	1.4
161.04533	10.1
161.33618	0.8
163.32878	1.0
179.05678	1.2
181.04985	0.9
185.11827	1.3
199.14844	1.0
203.12909	1.8
205.07178	1.8
238.39980	1.0
251.11325	24.4
252.11725	2.4
263.07645	5.3
266.17264	0.9
321.07565	3.5
333.11938	1.5
347.13257	1.4
365.14374	33.0
365.18158	9.2
365.21820	13.5
366.14801	4.3
366.22311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03437	3.4
59.01378	57.9
60.12268	0.7
61.91048	0.7
63.55215	0.7
64.14497	0.7
67.01885	1.3
69.03443	2.4
69.26015	3.6
71.01379	25.0
73.02947	12.9
75.00871	1.3
83.01391	6.0
85.02952	17.3
86.00121	1.0
87.00879	2.9
89.02436	8.2
95.01392	3.0
97.02927	1.0
99.00880	3.6
99.04524	1.7
101.02442	25.8
101.06083	30.8
102.06432	0.9
111.00870	1.6
113.02443	25.4
115.47036	0.8
119.03491	2.0
125.02472	1.0
129.01965	1.3
143.03491	1.5
157.12395	1.4
159.02971	2.5
161.04547	11.8
179.05656	0.9
185.11800	3.3
203.12875	7.3
205.07253	1.2
208.58812	0.8
251.11336	19.1
252.11720	1.0
291.22977	0.8
305.16043	2.0
347.17053	12.0
348.17368	1.4
362.30695	1.1
363.16443	1.1
365.14499	7.6
365.18167	100.0
366.14584	1.3
366.18558	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03444	0.7
58.92681	0.3
59.01379	13.2
61.98836	0.6
69.03452	1.0
71.01376	9.3
71.42655	0.3
72.99312	0.5
73.02940	4.7
75.00877	1.3
83.01381	2.6
85.02947	5.3
86.00091	0.6
87.00864	0.8
89.02441	2.2
95.01362	1.4
95.64269	0.3
97.02905	0.5
99.00871	1.7
101.02440	10.8
101.06093	0.9
111.00871	1.0
113.02444	8.6
114.02786	0.5
115.07637	0.5
119.03499	0.7
125.02479	0.3
127.11348	0.4
130.08727	0.5
132.04527	0.3
133.02991	0.4
135.04568	0.4
143.03473	0.8
144.04547	1.4
157.12318	3.0
159.03053	0.6
160.04050	1.1
161.04472	2.8
162.05608	4.6
185.11844	0.9
191.05574	0.8
193.86063	0.3
199.13403	0.5
203.12857	7.0
209.11636	0.3
210.99063	0.3
245.14050	0.3
251.11435	2.4
256.20450	0.3
317.11472	0.3
330.20276	1.0
347.17111	1.0
365.18124	100.0
366.18488	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	365.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53311	4.2
59.01364	13.6
61.98828	6.0
68.80555	4.2
70.84477	4.5
70.84831	5.9
72.82191	4.4
79.95735	15.7
154.20845	4.2
154.52534	4.8
157.12598	4.7
162.31209	4.1
171.10243	18.3
180.03471	4.5
185.11845	6.4
201.02492	5.5
215.12883	100.0
216.13370	4.7
285.14969	9.8
311.22284	67.6
312.22626	8.4
327.21631	15.3
329.23340	74.0
330.23636	5.4
339.76535	4.6
365.10565	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
61.98826	0.9
66.36148	0.8
69.59930	0.6
70.93497	1.1
79.83840	0.7
85.06599	3.4
96.95992	0.7
97.46037	0.6
119.15214	0.8
199.13507	1.8
201.02467	0.7
202.69408	0.8
224.25398	0.7
261.18481	1.2
278.03119	0.8
279.19666	19.4
280.19971	0.7
347.26004	6.2
348.26303	0.9
363.25317	1.0
365.26950	100.0
366.27286	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	365.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79459	16.0
69.12969	100.0
98.41248	18.7
107.69727	19.4
133.27594	21.9
170.35699	16.0
201.69321	16.0
275.24530	18.4
293.21078	16.6
327.78079	18.0
365.19794	34.4
365.27222	36.5
365.69916	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.4
59.01381	7.3
60.99319	1.0
61.98829	100.0
67.01881	2.0
69.03441	1.3
70.50450	0.8
71.01372	2.8
71.09405	0.8
73.02946	1.8
75.00888	1.0
75.34901	0.8
83.01380	1.0
83.04977	1.3
85.02965	4.8
87.00884	4.6
87.86503	0.9
93.03452	15.7
95.01366	1.1
99.00845	1.2
101.02428	1.1
109.02888	1.4
111.04505	1.9
113.02434	1.5
115.07653	7.1
116.07994	1.5
125.02444	13.7
127.04028	1.7
134.03763	5.6
135.04529	2.5
144.04520	2.1
151.00316	1.4
151.03938	1.4
153.01935	2.9
161.02487	1.0
162.05609	1.2
173.04541	6.3
175.03990	2.6
176.03986	1.1
177.01900	4.2
178.99821	1.1
179.03523	1.0
191.05606	52.0
193.05031	2.6
199.03893	0.9
217.05116	1.5
225.28293	0.8
236.05907	1.3
241.04945	0.9
246.15002	1.6
285.03976	11.5
290.13907	2.1
296.66428	1.0
303.05136	14.8
365.14478	3.1
365.18481	2.2
365.24356	4.2
366.07703	1.3
366.15280	7.5
367.10510	2.2
367.21271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.4
59.01381	7.3
60.99319	1.0
61.98829	100.0
67.01881	2.0
69.03441	1.3
70.50450	0.8
71.01372	2.8
71.09405	0.8
73.02946	1.8
75.00888	1.0
75.34901	0.8
83.01380	1.0
83.04977	1.3
85.02965	4.8
87.00884	4.6
87.86503	0.9
93.03452	15.7
95.01366	1.1
99.00845	1.2
101.02428	1.1
109.02888	1.4
111.04505	1.9
113.02434	1.5
115.07653	7.1
116.07994	1.5
125.02444	13.7
127.04028	1.7
134.03763	5.6
135.04529	2.5
144.04520	2.1
151.00316	1.4
151.03938	1.4
153.01935	2.9
161.02487	1.0
162.05609	1.2
173.04541	6.3
175.03990	2.6
176.03986	1.1
177.01900	4.2
178.99821	1.1
179.03523	1.0
191.05606	52.0
193.05031	2.6
199.03893	0.9
217.05116	1.5
225.28293	0.8
236.05907	1.3
241.04945	0.9
246.15002	1.6
285.03976	11.5
290.13907	2.1
296.66428	1.0
303.05136	14.8
365.14478	3.1
365.18481	2.2
365.24356	4.2
366.07703	1.3
366.15280	7.5
367.10510	2.2
367.21271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01374	5.9
61.98825	100.0
69.51596	3.7
71.01373	2.6
73.02956	2.0
85.02935	3.4
87.00874	4.7
90.16656	1.6
93.03448	6.2
101.02454	1.7
105.49583	1.6
113.02451	1.8
134.03741	4.5
135.04501	17.8
139.02528	1.6
146.06177	3.6
148.31856	2.1
158.03757	1.9
159.04205	1.8
161.02478	3.9
162.05595	8.6
173.04549	2.1
179.03502	8.5
191.05612	17.8
202.02727	10.1
203.03065	23.9
214.05939	2.4
273.02496	1.8
365.19324	4.2
366.09064	15.5
366.15604	6.1
366.19525	4.2
367.10352	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	366.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	97.8
61.98830	64.7
63.30983	37.7
73.20148	36.7
75.92084	40.6
79.63783	38.6
98.22700	100.0
134.03728	58.8
173.04715	45.4
193.05118	59.0
202.98697	60.5
289.16617	48.1
297.15039	49.8
366.23892	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.0
60.83144	27.1
60.96100	31.9
61.98826	51.8
82.42774	28.5
94.41533	27.7
98.21895	100.0
107.95173	28.0
121.06645	30.1
143.99023	28.7
176.13884	28.1
306.87772	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	366.2647
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
53.24421	3.0
61.98822	4.0
69.15051	3.4
70.08283	8.3
72.04556	4.3
74.02473	100.0
81.75671	3.7
88.47367	3.3
94.11330	3.2
103.53918	3.5
104.03535	26.7
134.03827	5.3
148.63376	3.6
168.26579	3.5
193.05075	6.3
218.38545	3.7
261.22293	7.7
290.25064	4.8
304.26508	19.3
318.24481	20.0
323.09634	5.5
336.25510	42.1
366.26492	80.0
367.26813	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23190	0.4
59.01374	5.7
61.98829	11.0
67.01910	0.5
69.55450	1.3
71.01373	2.6
73.02962	0.9
76.45740	0.5
81.03450	0.6
83.05025	0.8
85.02946	2.2
89.02459	1.2
89.03963	1.3
93.03459	3.1
99.00883	0.5
100.79080	0.4
101.02433	1.8
109.02972	0.4
111.04517	3.3
113.02456	1.4
116.92828	0.9
117.03464	8.2
119.05043	4.1
121.02979	0.7
133.02951	0.6
134.03737	77.0
135.04048	3.2
149.06076	6.3
155.03500	3.1
161.04549	1.0
163.03992	4.2
173.04523	6.2
178.02670	0.4
178.22794	0.4
191.05608	7.5
193.05048	100.0
194.05408	5.9
205.05058	2.3
205.41705	0.5
235.08308	0.7
235.11948	3.2
262.13547	0.4
268.82779	0.5
357.49191	0.4
367.03244	1.0
367.10355	7.6
367.15189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56291	0.4
71.01366	0.5
81.03514	0.5
83.05041	0.6
87.00880	0.5
89.03976	3.0
93.03464	2.7
97.65710	0.4
98.21848	0.9
107.62296	0.5
111.04520	2.5
117.03455	10.0
134.03735	99.3
135.04068	3.3
137.02382	0.5
149.06073	5.8
155.03534	2.3
156.77518	0.4
173.04527	4.2
191.05650	4.1
193.05048	100.0
194.05402	3.5
227.36823	0.5
367.10281	7.2
368.10468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01388	2.5
60.99286	1.0
67.01890	6.0
69.03456	1.1
69.45859	2.2
71.01383	2.8
74.47646	0.5
81.03442	0.9
83.05018	0.8
85.02969	1.4
87.00879	2.0
89.03941	0.7
93.03458	31.2
94.03783	1.4
109.02919	0.8
111.04521	6.6
111.05237	0.9
117.03471	3.2
121.04525	0.5
127.03967	0.6
134.03745	26.4
135.04082	2.0
137.02454	6.0
149.06088	2.1
155.03500	4.8
173.04547	100.0
174.04852	2.7
178.02779	0.7
180.37679	0.5
191.05605	18.4
193.05057	17.5
194.05371	1.5
281.77078	0.5
349.32211	0.5
351.22360	0.5
367.10266	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87354	0.4
57.03436	0.9
59.01374	2.0
60.99299	0.9
64.81457	0.4
67.01892	4.9
69.03455	0.8
69.18246	0.4
69.18923	1.8
71.01385	3.6
81.03458	0.7
83.05059	1.0
85.02934	0.5
87.00900	0.5
88.98919	0.4
89.03967	0.5
93.03457	29.9
95.70581	0.4
96.02171	0.5
109.02942	1.1
111.00874	1.3
111.04513	5.9
117.03445	2.1
119.16939	0.4
134.03748	23.2
135.04071	0.7
137.02435	4.8
149.06093	2.0
155.03511	4.7
173.04547	100.0
174.04918	3.5
178.02621	0.5
191.05650	0.7
193.05060	17.0
194.05391	0.8
211.09245	0.4
293.20490	0.4
367.06116	0.5
367.10242	2.8
387.97198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10626	0.5
83.05039	1.0
85.41069	0.5
89.03948	2.9
93.03455	3.5
98.21838	0.9
106.04274	0.6
111.04521	3.5
117.03459	10.3
127.04006	0.5
128.28545	0.4
134.03737	100.0
135.04063	2.8
149.06075	6.2
155.03476	2.0
155.12094	0.5
173.04564	4.1
191.05656	3.5
193.05049	87.5
194.05345	4.6
201.39578	0.6
367.10309	5.0
392.09109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.46552	0.7
57.03426	1.0
58.02974	2.4
59.01374	3.7
61.98825	4.0
67.01887	3.3
69.03451	0.9
70.03000	0.8
71.01381	3.0
73.02950	1.9
73.69398	0.9
78.55005	0.8
81.03444	1.1
83.05036	2.4
85.02960	3.2
87.00877	3.4
89.03970	2.0
93.03453	19.5
106.04226	1.2
109.02972	1.6
111.04526	4.5
113.02471	1.0
117.03481	7.8
125.02775	0.7
127.04061	1.2
133.02942	1.0
134.03748	90.5
135.04080	4.4
137.02509	3.8
137.06093	1.4
142.12390	4.4
144.94669	0.8
149.06097	6.8
153.07962	0.9
155.03471	4.7
163.04044	3.1
168.10304	3.5
173.04558	45.1
174.04865	1.7
175.04066	1.3
175.15373	0.8
178.02779	1.5
186.11380	2.6
190.02759	1.5
191.05621	35.6
192.05917	1.2
193.05060	100.0
194.05359	5.0
203.11867	2.0
205.05051	2.6
205.08746	0.8
219.05370	0.8
220.20827	0.9
286.07574	2.2
306.17114	2.1
324.18121	2.7
348.97922	0.8
350.16116	2.9
367.10358	11.3
368.10248	1.1
368.17084	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72096	0.3
59.01378	2.2
60.15593	0.4
61.41544	0.3
61.73055	0.4
61.98829	1.5
64.71838	0.4
69.37682	0.3
69.38010	1.7
71.01382	1.0
73.02947	0.8
81.03465	0.4
83.05026	0.7
84.60912	0.3
85.02950	0.7
87.00879	0.6
89.02450	0.5
89.03970	1.3
93.03449	2.8
101.02440	0.7
103.49692	0.5
109.02972	0.4
111.04533	2.7
117.03464	8.4
118.03802	0.5
119.05067	1.9
121.02933	0.6
127.04015	0.5
134.03738	84.7
135.04051	3.2
137.02472	0.6
149.06071	7.3
155.03500	2.7
163.04022	1.7
173.04558	5.8
178.02663	0.4
191.05592	5.6
191.39169	0.4
193.05048	100.0
194.05365	4.7
207.64632	0.4
211.61919	0.4
235.11794	0.9
242.82722	0.4
302.64957	0.4
367.10345	8.9
367.15042	0.5
368.10846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.4
59.01661	0.4
61.98825	2.1
65.30040	0.3
66.11290	0.3
71.01387	1.7
72.00904	12.1
72.99305	1.8
73.02940	0.3
73.58829	0.3
75.00882	1.4
77.00448	0.3
85.02946	1.8
87.00877	0.5
89.02441	1.0
91.05552	1.5
93.03458	0.5
95.01368	0.4
99.00882	0.7
101.02443	0.3
103.05528	0.5
108.02193	0.3
113.02444	2.4
115.04029	0.4
117.05572	2.8
123.04560	0.3
131.03477	0.4
131.04591	0.3
132.04543	1.2
133.04872	0.9
134.03738	1.8
135.04587	0.3
141.52274	0.3
144.04562	0.3
147.04514	38.7
148.04854	1.9
149.06079	0.4
160.03998	0.5
162.05597	1.7
164.07150	100.0
165.07518	4.5
167.03467	0.6
169.45978	0.3
173.04604	0.4
179.05688	0.7
191.05530	0.5
193.05011	2.0
206.04529	1.3
249.06155	4.2
267.07062	0.5
307.06125	0.4
309.08115	0.4
349.11182	0.5
367.12634	6.5
368.12408	0.5
368.16650	0.3
389.10965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76269	1.5
57.03448	3.1
59.01376	74.4
61.98826	22.3
67.01881	1.7
68.99830	2.2
69.03461	1.7
71.01379	17.7
71.42307	1.9
72.99313	2.9
73.02938	3.6
75.00874	18.4
76.03768	1.6
81.03468	1.7
83.01392	2.4
83.05068	1.7
85.02946	21.7
87.00860	8.3
89.02459	8.0
93.03461	5.9
93.93504	1.6
95.01390	5.2
96.54369	1.3
99.00899	9.8
99.04504	2.4
101.02451	2.2
105.82565	1.6
107.89105	1.5
111.00874	2.0
111.97278	1.7
113.02439	26.8
115.00427	1.6
117.01933	2.3
117.03468	4.8
117.05582	42.6
123.04496	1.6
134.03734	58.2
137.02448	2.6
149.06116	4.3
155.03674	2.1
163.56575	1.9
164.07138	5.0
167.03503	5.1
170.53047	1.4
173.04514	3.9
175.02528	2.7
178.02658	1.5
191.05620	3.9
192.98428	1.6
193.05045	58.9
205.07132	1.7
231.05197	3.3
249.06136	51.3
267.07260	8.6
309.08289	9.0
312.10184	1.8
313.11261	1.6
330.11884	2.5
349.11258	6.1
367.12466	100.0
368.12851	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	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16792	0.1
55.05409	0.2
59.01377	0.4
69.29111	0.6
75.29945	0.1
93.03425	0.2
102.63895	0.2
106.04239	37.4
107.04576	1.3
121.02937	0.2
138.03259	1.4
146.07323	0.3
150.03220	3.2
151.03595	0.2
161.09711	52.1
162.10045	3.2
182.02213	0.8
187.61197	0.2
205.08676	100.0
206.09027	5.4
206.10980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98809	0.9
65.32281	0.3
69.44946	1.3
71.01387	0.5
73.02946	0.6
85.02967	0.6
93.03455	0.7
106.04238	0.6
117.03445	0.5
121.02940	1.2
122.03721	0.3
134.03745	8.8
140.33257	0.3
141.28917	0.3
147.04509	1.4
148.05304	100.0
149.05626	4.5
161.09717	1.0
163.07649	77.7
164.07944	4.7
173.04547	1.5
191.05560	1.6
193.05054	8.8
194.05229	0.4
205.08652	2.0
265.88980	0.3
288.16205	0.4
367.09830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
60.68090	0.1
61.98820	0.6
70.92315	0.2
71.01363	0.2
75.86510	0.1
93.03467	0.3
106.04241	35.3
107.04559	1.1
108.02154	0.3
109.24596	0.1
121.02978	0.3
127.43355	0.1
127.55657	0.1
138.03235	2.6
146.07356	0.4
150.03217	3.0
151.09891	0.1
161.09715	54.1
162.10042	2.8
182.02208	1.0
185.58177	0.1
191.05519	0.2
194.11951	0.2
204.06685	0.4
205.08682	100.0
206.09021	6.1
206.10983	0.3
247.09734	0.2
288.45102	0.2
296.78009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11408	4.4
57.03445	3.9
59.01365	21.5
61.98537	6.0
61.98827	63.2
67.01877	3.7
69.10078	25.6
71.01380	9.4
71.97770	3.6
80.64587	3.4
85.02961	16.8
87.00856	9.9
89.02431	4.8
93.03467	31.6
101.02415	4.5
111.04551	4.6
113.02440	11.7
121.02942	5.8
125.02419	7.5
129.01981	4.0
133.02962	8.8
134.03748	20.6
135.04517	66.6
152.37843	4.3
161.02415	12.6
162.05588	4.2
163.05945	4.4
167.52313	3.9
173.04520	23.6
179.03473	39.4
191.05608	100.0
192.06015	4.4
193.04996	10.3
203.02850	4.6
204.03331	5.9
205.12405	7.6
225.53969	4.0
269.11914	4.2
326.09811	3.7
367.10254	60.0
368.10251	4.6
368.16815	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	367.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	41.2
61.98829	66.2
69.39887	44.5
71.01375	16.9
85.02962	11.2
87.00894	20.7
88.22717	10.2
89.02422	13.9
93.03481	52.8
130.30258	10.9
135.04485	24.5
154.77087	11.1
161.02417	10.4
169.08701	24.4
173.04465	16.0
179.03502	12.9
191.05647	100.0
204.11633	10.0
275.16647	10.0
279.11111	21.5
287.05679	18.8
323.09976	20.4
367.10223	19.9
367.21045	32.0
368.17072	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	367.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
59.01368	17.3
60.40851	3.8
61.98826	65.0
63.87988	3.8
66.43467	3.4
69.03440	4.4
71.01360	11.3
73.02965	6.5
85.02942	15.6
85.30690	3.4
87.00857	13.2
89.02448	7.7
89.62981	3.6
93.03452	31.5
97.58378	4.0
111.04506	5.7
113.02448	12.5
121.02908	4.5
124.88900	3.5
133.02905	9.6
134.03723	18.2
135.04526	78.1
137.02501	4.0
151.34726	4.3
160.00008	4.1
160.14197	3.8
161.02423	17.6
161.04549	4.0
162.05640	5.4
173.04544	15.7
179.03500	39.4
191.05597	100.0
192.05927	6.4
193.05127	9.5
202.02615	5.1
204.03302	4.3
205.12402	8.7
209.04585	4.0
333.31851	3.8
367.03110	5.9
367.10248	75.6
367.14771	9.5
367.20847	5.7
368.10532	7.2
368.17084	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08382	0.5
55.01880	0.5
57.03432	0.5
59.01379	100.0
60.01715	1.0
61.98832	2.3
69.28567	2.8
71.01373	4.7
73.02958	2.1
79.95757	1.5
80.77821	0.5
83.01335	0.8
83.05043	0.7
83.22453	0.5
85.02964	3.2
89.02442	0.7
93.03448	1.3
96.96008	3.8
99.00917	0.7
101.02441	4.4
111.04537	0.7
113.02473	1.8
117.03497	1.6
134.03741	16.7
135.04071	0.9
149.06117	1.0
150.03265	1.7
155.03595	0.7
159.02917	0.5
161.04591	1.7
173.04550	3.1
191.05676	2.0
193.05049	19.4
193.24324	0.5
194.05496	0.9
205.08658	7.0
205.10336	0.6
277.92807	0.6
287.12976	1.6
305.11938	0.6
325.16721	2.4
367.09158	3.4
367.13980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07994	5.9
59.01376	17.6
61.98827	100.0
69.61731	24.0
75.92112	6.4
98.22559	12.3
127.87072	10.1
139.36183	5.6
142.92728	6.6
144.11063	6.1
165.51242	6.4
174.99234	10.6
192.95906	7.3
202.98755	20.9
217.00296	16.6
268.92477	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.17046	0.5
61.98817	0.7
64.75473	0.5
69.20668	1.2
69.21075	1.4
98.21872	1.0
133.06602	2.2
149.09718	83.3
150.10063	4.2
161.93921	0.6
189.12875	0.7
205.15964	81.1
206.16325	6.4
213.09285	0.5
230.28705	0.5
266.62775	0.5
288.71478	0.5
312.77679	0.5
367.26382	100.0
368.26733	12.6
368.33752	0.7
391.34897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	13.1
69.62891	13.9
69.63278	16.4
72.99287	19.7
74.62979	5.9
87.92527	9.8
93.03430	13.0
117.03462	14.4
134.03738	100.0
173.04573	19.4
185.18239	6.4
191.05635	12.8
193.05026	99.6
194.05287	11.0
225.22220	9.2
271.22818	17.0
367.10303	9.1
367.20746	9.7
368.15164	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93673	0.6
57.81477	0.6
59.01376	3.6
59.10791	0.6
61.98828	100.0
71.01381	1.4
73.02926	0.9
85.02985	0.9
93.03461	0.7
113.02441	1.2
117.03434	0.6
119.05028	0.9
121.02917	1.0
133.02974	2.8
134.03745	4.6
135.04056	4.0
149.06082	0.8
163.03992	0.8
167.03528	0.9
172.54788	0.7
173.04607	1.0
176.66942	0.6
191.05653	1.4
193.05020	3.7
194.05452	5.7
195.03040	2.5
195.05745	0.8
198.04974	0.8
218.34438	0.6
232.17175	1.1
250.18129	1.8
294.17081	10.2
295.17505	1.0
322.09128	3.3
322.12430	0.7
324.10696	1.0
368.04590	1.1
368.09540	11.2
368.17245	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	368.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63258	0.7
62.71692	0.6
62.75621	0.7
66.66486	0.7
73.02966	0.8
85.02924	0.8
89.03978	2.2
90.04280	1.0
93.03460	2.2
94.03783	1.5
111.04510	4.0
112.04855	1.7
117.03461	9.2
118.03801	5.9
119.60673	0.8
134.03740	82.6
135.04079	71.0
135.05156	0.9
136.04266	2.7
137.02560	0.8
149.06059	5.2
150.06427	5.2
155.03506	2.9
156.03868	2.2
169.32893	0.8
173.04543	5.8
174.04878	3.1
191.05614	3.8
192.05951	3.0
193.05052	78.4
194.05391	100.0
195.05573	5.4
267.70428	0.8
368.10681	11.7
369.10754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47213	1.7
57.43753	2.1
59.01378	27.0
61.98828	79.5
68.97662	2.0
71.01382	8.0
71.43506	2.0
73.02940	11.0
73.04076	1.9
83.01369	2.1
85.02965	2.3
86.14689	2.2
87.00878	4.5
101.02453	9.8
106.04250	31.9
107.04566	22.0
109.02955	2.8
113.02464	2.2
123.04497	1.9
124.76437	2.1
133.90898	1.8
138.03180	2.8
141.50946	1.9
150.03281	2.8
151.03870	1.9
161.09711	32.4
162.02274	3.2
162.05605	7.4
162.10048	47.3
163.10387	2.2
191.05566	4.5
204.06688	2.1
205.06824	4.3
205.08685	54.8
206.09021	100.0
207.09239	5.3
292.53598	2.1
366.32535	2.0
368.16965	10.0
369.13013	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	368.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.38665	20.5
63.74238	20.0
69.38633	54.9
69.39024	45.4
73.02948	41.2
85.73651	21.1
98.21815	26.2
152.18227	21.3
249.88045	19.3
325.04440	22.9
333.83771	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98818	20.2
66.03481	27.8
68.03533	6.3
69.75662	24.3
71.01377	23.5
73.02924	13.7
85.02946	12.0
85.04078	14.4
89.02396	9.4
93.03422	9.2
97.10479	6.8
98.21946	7.7
101.02435	13.0
113.02449	21.8
113.99327	30.3
161.04472	13.1
168.01401	8.5
173.04587	8.9
191.05530	14.5
198.99339	6.3
207.10233	20.5
234.47838	6.5
238.05647	63.8
250.04094	6.8
336.96021	7.3
368.09610	25.8
368.14075	7.5
383.11850	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	368.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27894	9.0
59.01113	9.9
59.01373	100.0
60.84621	9.3
63.45863	11.1
69.24124	52.3
69.63564	8.2
71.01372	18.2
73.02937	17.3
80.67239	9.6
101.02406	11.6
113.02438	14.8
149.26938	9.7
150.01221	10.0
162.02306	41.8
191.45255	8.8
215.61238	11.0
215.63486	8.5
370.04855	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	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14146	0.9
57.03444	2.0
58.02977	9.4
59.01372	7.0
61.98830	13.7
62.22753	1.0
64.23081	1.0
68.81748	1.0
70.02990	2.3
71.01381	2.8
71.05037	0.9
71.17182	1.2
73.02955	2.1
74.99111	1.4
76.99844	0.9
82.03001	3.2
83.05016	3.9
84.04533	7.1
84.93162	0.9
85.02943	2.1
85.06600	2.7
87.00877	1.6
89.02468	1.7
93.03457	2.6
94.03791	1.8
97.06592	1.0
98.06098	1.7
101.02429	1.4
106.04251	8.2
107.04582	5.5
109.02974	1.8
111.03295	1.4
111.04527	2.4
111.08108	1.2
112.04066	1.8
113.02407	1.6
117.03484	1.7
120.01263	3.3
120.99638	1.3
121.02995	1.0
123.04546	1.4
125.09745	1.1
126.05611	3.0
134.03752	12.5
135.04063	11.2
136.07718	1.7
137.02487	1.0
137.06053	4.8
142.12366	19.8
150.03215	1.6
150.06468	1.3
151.04007	1.1
153.07965	6.8
153.13286	1.2
154.08731	5.6
156.10333	1.0
157.76669	1.1
159.45799	0.9
161.09731	11.0
162.02310	22.6
162.10075	12.4
168.10292	16.0
169.10643	1.6
173.04538	6.8
174.04909	3.8
179.01665	2.0
184.13400	4.4
186.11357	10.4
190.12305	1.2
191.05594	3.0
192.06006	1.5
193.05025	11.0
194.05392	13.6
195.05310	1.0
196.13327	1.7
205.08675	13.9
205.12077	0.9
206.09029	27.2
207.10214	3.7
220.13362	1.5
223.13441	1.2
236.12863	0.9
239.11127	2.0
257.15530	1.0
262.18060	1.9
306.17068	15.2
307.17542	1.3
324.18323	7.8
339.08575	2.2
350.16028	15.3
351.16443	1.8
368.17126	100.0
369.17554	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	368.1714
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
53.14146	0.9
57.03444	2.0
58.02977	9.4
59.01372	7.0
61.98830	13.7
62.22753	1.0
64.23081	1.0
68.81748	1.0
70.02990	2.3
71.01381	2.8
71.05037	0.9
71.17182	1.2
73.02955	2.1
74.99111	1.4
76.99844	0.9
82.03001	3.2
83.05016	3.9
84.04533	7.1
84.93162	0.9
85.02943	2.1
85.06600	2.7
87.00877	1.6
89.02468	1.7
93.03457	2.6
94.03791	1.8
97.06592	1.0
98.06098	1.7
101.02429	1.4
106.04251	8.2
107.04582	5.5
109.02974	1.8
111.03295	1.4
111.04527	2.4
111.08108	1.2
112.04066	1.8
113.02407	1.6
117.03484	1.7
120.01263	3.3
120.99638	1.3
121.02995	1.0
123.04546	1.4
125.09745	1.1
126.05611	3.0
134.03752	12.5
135.04063	11.2
136.07718	1.7
137.02487	1.0
137.06053	4.8
142.12366	19.8
150.03215	1.6
150.06468	1.3
151.04007	1.1
153.07965	6.8
153.13286	1.2
154.08731	5.6
156.10333	1.0
157.76669	1.1
159.45799	0.9
161.09731	11.0
162.02310	22.6
162.10075	12.4
168.10292	16.0
169.10643	1.6
173.04538	6.8
174.04909	3.8
179.01665	2.0
184.13400	4.4
186.11357	10.4
190.12305	1.2
191.05594	3.0
192.06006	1.5
193.05025	11.0
194.05392	13.6
195.05310	1.0
196.13327	1.7
205.08675	13.9
205.12077	0.9
206.09029	27.2
207.10214	3.7
220.13362	1.5
223.13441	1.2
236.12863	0.9
239.11127	2.0
257.15530	1.0
262.18060	1.9
306.17068	15.2
307.17542	1.3
324.18323	7.8
339.08575	2.2
350.16028	15.3
351.16443	1.8
368.17126	100.0
369.17554	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	368.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84559	0.5
56.97801	0.5
56.98031	4.4
57.97559	13.9
61.98824	2.4
66.54727	0.5
69.76945	1.0
69.77324	1.6
95.84605	0.6
97.06577	1.0
112.95085	0.6
113.04323	6.6
125.09692	2.1
134.03749	1.3
135.04150	0.6
152.01711	0.8
153.02438	0.9
163.03253	0.5
165.02403	0.7
166.03313	1.5
168.01205	0.7
182.06390	0.8
192.04767	2.7
193.05099	0.9
194.05328	1.2
208.08003	2.1
210.05939	1.5
210.14935	0.7
212.12944	1.4
222.09662	1.0
224.07506	7.4
225.07974	0.8
262.09100	0.9
270.11728	8.0
271.12079	1.0
278.08655	0.9
280.10037	1.1
294.11557	0.6
296.09576	4.3
318.15237	4.9
320.16672	2.7
324.19922	0.8
334.14676	0.7
336.16437	2.9
338.17981	1.7
350.13498	1.1
350.17905	19.5
351.18185	1.9
352.15863	3.7
368.18970	100.0
369.19284	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.6
71.37127	2.4
72.99279	2.5
82.20949	2.1
82.21439	2.2
85.17981	2.3
90.56013	2.1
106.22411	2.2
134.03734	4.3
141.12845	7.4
141.40097	2.3
155.14473	3.5
156.69948	2.4
193.05020	2.3
194.05383	2.9
217.86482	2.6
249.22224	7.0
288.87531	2.4
295.22784	100.0
296.22910	4.2
369.16348	3.2
369.30450	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	369.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99609	10.6
59.01375	16.3
61.98845	8.8
67.79538	4.1
70.10954	8.0
71.01384	12.0
72.49580	3.5
84.52273	3.6
89.02450	12.0
99.02758	4.4
99.53783	3.8
101.02411	4.7
102.98598	100.0
113.02446	5.4
118.94402	4.7
119.03504	5.2
120.99615	11.3
134.03723	5.4
137.02434	5.3
146.03755	4.6
146.42758	4.2
147.04468	5.7
161.02414	4.7
163.00771	7.0
173.04549	4.8
179.01741	11.0
179.03590	3.6
180.02467	7.1
188.42343	4.4
194.05299	4.6
195.04788	34.0
232.08388	4.0
251.50316	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	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89985	0.7
57.03437	2.2
59.01361	2.4
60.99303	4.0
67.01891	10.0
69.03455	1.4
69.98989	1.4
69.99357	1.6
71.01391	3.9
73.02916	0.9
81.03432	2.0
83.05025	1.6
85.02948	8.2
87.00870	15.1
93.03453	63.4
94.03778	1.8
95.05006	1.7
99.00876	1.2
105.03465	5.4
107.05017	2.9
109.02909	3.9
111.03923	0.8
111.04528	9.4
121.03077	0.9
123.04516	2.6
127.04023	1.7
129.01901	1.8
133.02948	67.6
134.03255	1.7
135.04510	2.8
145.44183	0.8
150.03198	1.4
151.03970	2.4
155.03500	2.2
162.05624	1.1
163.05930	1.3
169.08707	1.2
173.04541	53.8
174.04861	1.8
177.01910	12.9
179.03500	1.7
180.65935	0.7
191.05595	100.0
192.05992	3.6
195.02983	13.1
207.04848	1.1
215.05624	11.1
307.08160	2.2
327.32532	0.8
351.03201	1.3
351.07196	16.3
352.07547	1.9
369.08173	10.5
370.08820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56525	0.7
55.01862	2.8
57.03437	2.6
59.01374	12.7
61.98822	0.9
69.03452	8.6
69.11219	1.6
69.11620	3.1
71.01379	63.0
72.01730	1.0
73.02942	21.4
83.01395	5.4
85.02945	25.9
87.00873	1.7
89.02444	4.1
89.07262	0.6
93.03453	98.1
94.03793	3.0
95.01392	4.4
97.02937	1.7
98.22591	1.4
99.00883	6.3
101.02441	32.0
109.02895	1.0
113.02447	70.9
114.02781	1.7
116.15704	0.6
125.02405	0.8
125.78691	0.7
129.98836	0.8
130.98256	0.7
143.02492	0.7
143.03471	4.3
159.02979	7.7
161.04550	100.0
162.04869	3.5
202.27528	0.7
205.03468	1.4
255.08728	9.6
289.07117	1.3
369.13373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62569	0.7
55.01872	2.9
57.03432	1.9
59.01374	11.0
59.46689	0.6
61.98826	1.4
67.45792	0.6
69.03458	7.8
69.11776	1.6
69.12178	2.8
71.01381	55.5
73.02945	20.5
75.00857	1.0
78.42828	0.6
83.01391	5.9
85.02947	25.2
85.03465	1.4
86.03271	0.8
87.00867	1.6
89.02444	3.6
93.03456	100.0
94.03796	2.7
95.01388	4.8
97.02943	1.6
98.00082	0.8
98.22614	1.5
99.00873	8.0
101.02436	27.5
102.02758	1.0
102.75647	0.7
112.65083	0.7
113.02448	65.0
114.02803	1.4
125.02407	1.3
129.01932	0.8
143.03500	3.2
159.02992	8.3
161.04555	98.6
162.04874	1.7
236.07655	0.7
255.08698	7.8
282.41791	0.7
289.07135	1.5
369.13196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13428	0.2
55.38565	0.2
58.29219	0.2
59.01382	1.1
59.40026	0.2
61.98833	0.3
67.01869	0.2
67.26223	0.2
69.38409	0.8
71.01390	0.3
73.02944	0.3
83.35529	0.3
89.02467	0.4
93.03458	1.7
101.02423	0.2
106.04242	0.5
121.02956	2.1
122.03741	0.3
122.53619	0.2
133.10268	0.2
134.03741	7.1
135.04176	0.3
137.02486	0.2
146.03728	0.3
146.07350	0.3
147.04535	0.5
153.49770	0.2
159.04475	0.3
161.06082	0.3
161.09706	3.6
162.10115	0.3
163.07678	0.3
167.01659	1.8
170.07326	0.3
171.08138	4.5
172.08446	0.4
173.04617	0.3
173.06075	3.3
174.06804	0.8
181.28320	0.2
187.07715	0.4
189.09203	15.3
190.09561	0.9
191.05573	0.3
207.10254	100.0
208.10599	6.1
239.07487	2.7
309.07861	0.7
327.09027	1.2
369.10175	1.4
369.15506	4.6
370.15747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33271	0.3
59.01376	2.0
69.16776	1.9
70.23141	0.3
70.58588	0.3
71.01393	0.7
74.54407	0.3
93.03460	1.6
98.21883	0.6
106.06624	0.4
113.50847	0.3
121.02917	1.9
134.03738	7.4
135.04027	0.5
146.03702	0.3
152.04837	0.5
159.04440	0.3
161.09695	3.1
170.07336	0.3
171.08159	4.2
173.04637	0.6
173.06055	3.6
174.06844	1.0
187.07599	0.6
188.08627	0.3
189.09204	15.4
190.09523	1.0
193.04982	0.5
207.10251	100.0
208.10590	6.4
309.13504	0.4
327.14322	0.4
369.15485	5.9
369.19846	0.3
370.19110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1703
Annotation	Macquarimicin C
Peak:m/z	Relative Intensity
50.64291	1.2
51.57037	1.1
59.01373	1.4
61.98822	3.0
65.18680	1.1
79.63229	1.1
87.65227	1.4
89.06944	1.2
121.03024	1.4
135.04518	2.8
140.82735	1.2
143.05019	4.5
145.02957	1.3
146.03741	4.3
147.04507	1.4
151.51865	1.4
159.04527	1.8
160.05316	4.8
161.06076	23.7
170.10393	1.4
174.03209	7.1
187.04085	1.6
188.04811	2.3
189.05574	31.8
197.03087	1.3
271.27417	1.2
286.11981	2.6
311.12817	7.3
316.52060	1.3
318.10980	2.4
339.12366	8.0
340.13132	66.4
341.13416	8.3
357.49832	1.5
369.17050	100.0
370.17303	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	369.1809
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
61.98812	3.5
69.29404	12.3
75.00866	6.5
78.96015	2.4
98.21898	5.1
109.41777	2.4
116.23788	2.0
124.45729	2.5
167.72260	2.3
177.12825	5.7
195.13875	4.1
195.19601	2.8
231.61789	2.3
249.22424	3.6
262.11865	4.7
287.88791	2.3
293.21210	67.8
294.21625	5.6
295.22742	4.4
304.40320	2.6
305.19495	2.7
311.22278	73.8
312.22449	9.0
315.19409	4.9
333.20468	44.4
334.20636	4.4
369.18115	100.0
370.18491	9.9
374.93222	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2431
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
52.68977	0.4
59.01358	1.1
84.06602	0.4
91.13155	0.4
91.32165	0.4
91.56689	0.4
104.02678	0.9
114.26222	0.4
133.10202	2.6
147.08145	1.3
149.09715	0.8
161.09700	1.4
163.11278	100.0
164.11591	5.6
179.10764	21.4
179.12390	0.7
180.11092	1.2
183.59831	0.4
187.11240	1.0
193.12314	24.9
194.12651	1.4
211.62663	0.4
279.13861	0.5
280.14877	0.6
309.22168	0.7
337.21719	12.3
338.21967	1.3
369.24313	86.0
370.24606	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	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27385	0.4
52.17003	0.5
59.01379	4.0
61.98812	2.1
67.00520	0.4
69.89976	1.1
71.01382	0.8
71.37206	0.5
83.05045	0.5
83.97754	0.5
89.02458	1.7
91.04005	10.2
96.26750	0.5
113.09734	2.1
136.05283	1.5
164.04785	1.2
179.14351	0.9
195.13885	15.9
196.14221	1.4
257.11728	1.0
277.21716	13.5
278.22040	1.4
285.11252	3.2
287.12094	0.7
295.22769	100.0
296.23132	10.2
306.64658	0.5
315.87500	0.6
333.20532	0.8
378.86499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06660	0.8
57.03443	8.1
58.65781	1.1
59.01390	4.5
59.26369	0.9
71.01351	2.1
71.05014	2.3
71.14314	1.0
72.04549	3.3
73.02950	7.3
75.00825	1.2
78.44303	0.8
83.05022	1.0
85.02935	2.4
86.02477	5.1
87.00876	7.2
87.04508	3.0
89.02464	0.9
95.08665	2.1
96.04575	1.8
99.00880	1.0
101.06078	1.6
107.08651	0.9
108.04597	1.7
110.06117	3.5
119.05017	2.7
121.02964	3.9
123.04491	0.9
125.06087	1.0
125.09729	1.6
129.09235	0.8
131.07202	1.6
136.07669	1.7
137.04807	1.1
143.07111	1.5
154.08752	1.1
163.04013	4.0
166.08701	1.9
169.08699	100.0
170.09047	4.8
182.08209	3.6
184.09853	1.1
195.10355	0.9
196.09700	0.9
200.09349	1.1
210.11400	3.5
218.11911	1.0
220.13431	3.8
233.97346	0.9
248.12903	5.0
254.13936	1.4
264.16089	2.2
266.13953	13.3
284.14984	2.1
308.18564	1.6
352.17639	16.7
353.17868	1.5
370.18689	26.1
371.09708	2.6
371.13663	2.3
371.19125	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.7
59.01373	1.7
61.98810	0.5
66.03454	0.5
71.01371	0.7
71.05021	2.5
71.13944	0.5
72.04544	3.7
73.02943	6.2
73.63329	0.4
75.00880	0.5
82.95399	2.1
83.05016	1.2
85.02944	2.3
86.02479	5.1
87.00345	0.4
87.00877	8.2
87.04515	3.9
93.03445	0.5
93.07150	0.7
94.02982	1.1
95.05035	0.5
95.08675	1.4
96.04575	2.1
98.06110	1.2
99.04513	1.3
101.06089	1.9
107.08693	0.9
108.04577	2.0
110.06116	3.1
111.04521	0.7
113.02470	0.7
113.06041	0.7
121.02934	1.2
123.03271	0.5
123.04554	0.7
125.02422	0.5
125.09727	0.8
126.05575	0.7
129.10323	0.6
130.08763	3.2
131.07159	1.6
133.02852	0.4
135.04536	1.0
136.07677	2.6
137.04849	1.1
137.06039	0.7
138.09261	0.6
139.07640	0.9
143.07153	1.1
148.07724	0.6
149.21710	0.4
151.07631	0.5
154.08720	1.1
156.96748	0.4
158.08228	0.6
162.09200	0.6
164.07166	1.3
166.08730	2.6
167.03676	0.4
169.08701	100.0
169.27106	0.4
170.09085	4.6
179.03539	0.5
182.08170	2.8
182.11868	0.4
184.09813	0.8
191.05687	1.2
191.10735	0.6
192.10199	0.6
192.99347	0.5
193.08678	0.7
195.08946	0.8
199.18237	0.5
200.09308	1.0
204.10303	1.0
210.11378	3.2
214.10915	0.6
214.19324	0.7
218.11758	0.5
220.13445	3.4
221.15607	0.5
222.11459	0.5
222.14893	0.6
248.12923	6.7
264.16089	2.9
266.13956	13.8
267.14386	1.2
284.15027	3.6
290.17719	1.1
306.16983	0.9
308.18665	1.8
314.16443	0.5
335.07645	0.5
342.19183	0.6
352.17636	16.3
353.17868	1.3
370.18695	30.0
371.09659	1.0
371.14670	0.4
371.19336	3.0
371.26675	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12419	0.7
53.15633	0.6
57.03443	7.4
58.63881	0.7
59.01370	4.4
61.98815	4.7
69.03436	0.9
71.01350	0.7
71.05002	3.2
71.06353	0.9
72.04537	3.0
73.02939	8.1
73.57891	0.6
78.91872	0.8
80.91675	4.1
81.03490	1.0
82.95415	14.7
83.05017	2.0
85.02942	2.4
85.57121	0.7
86.02468	6.1
87.00871	55.8
87.04491	3.3
93.03458	2.5
93.07064	0.9
94.02940	1.4
95.05032	1.5
95.08644	1.4
96.04549	2.9
97.02951	1.3
98.06118	1.2
99.04500	1.1
101.06052	2.8
107.08662	1.1
108.04546	3.1
109.02955	3.6
110.06110	4.0
111.04502	0.9
111.08148	0.9
113.02427	1.0
120.08164	1.5
120.99710	0.6
121.02931	1.4
123.04514	3.1
125.02440	3.2
125.09743	1.5
126.05565	1.0
128.03535	1.0
130.08678	1.8
131.07140	2.4
133.02930	2.0
135.04520	6.3
136.07678	2.2
137.02444	5.6
137.04825	1.1
138.09219	1.3
143.07077	0.9
149.02425	1.0
149.06119	1.1
150.03270	0.8
151.03993	1.2
161.02441	1.2
163.04034	1.6
164.01131	0.9
164.07228	0.8
166.08742	2.1
167.03665	0.7
169.08696	100.0
170.09076	4.2
173.04439	0.9
174.04980	0.8
179.03494	5.5
182.08202	2.7
184.09749	0.7
191.05588	2.7
194.11838	2.9
200.09187	1.0
203.07140	1.7
210.11351	2.4
220.13406	2.9
221.15533	0.8
231.21356	0.7
245.08174	1.9
248.12930	6.3
264.16000	3.2
266.13974	15.8
267.14124	1.0
277.66730	0.8
284.15018	3.4
289.07147	10.1
306.17151	0.9
307.08014	1.1
308.18668	3.1
311.05316	5.0
334.16635	0.9
352.17618	25.5
353.17993	2.1
370.18719	34.2
371.05957	1.5
371.14111	1.0
371.19153	5.2
371.26614	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17532	0.8
57.03445	1.8
58.23648	0.8
59.01374	10.7
61.98829	2.4
66.03489	1.2
69.03442	1.6
71.01374	5.3
71.05016	1.8
71.42089	1.0
72.04545	5.8
73.02946	4.5
74.02460	2.1
83.05021	2.0
85.02950	2.5
85.06632	1.0
86.02496	0.8
87.00884	1.7
87.04501	1.5
89.02432	3.9
92.05061	0.9
92.07605	0.8
93.03465	1.8
93.07073	1.0
95.04990	1.1
96.25562	0.8
97.06586	3.3
98.02480	1.2
99.00853	1.2
99.92599	1.3
100.93343	1.2
101.02436	1.2
109.06577	1.0
111.04481	1.0
111.08101	0.9
113.02448	5.1
115.04017	2.9
115.92083	1.8
116.92905	1.1
119.03475	1.2
119.81088	0.9
120.08195	26.5
121.02974	3.1
122.06133	1.7
123.03273	1.6
123.08160	1.3
125.06131	0.9
126.27718	0.9
129.05589	1.2
131.05017	1.3
134.06129	0.9
136.07681	6.7
137.04836	5.7
138.09271	6.5
139.07687	0.8
143.03526	0.9
146.06116	2.4
149.06084	7.0
152.10788	0.9
155.07149	1.5
161.39500	0.9
162.09247	1.0
164.07088	1.4
169.07249	1.5
169.08705	26.9
169.09851	1.0
170.09097	1.8
179.03510	1.3
182.08217	29.4
183.08627	1.3
184.09793	3.0
184.35570	0.9
186.71104	1.1
190.05141	1.0
190.08781	3.1
191.05667	1.8
194.11845	11.3
195.09004	4.9
198.11342	1.2
200.09157	1.1
202.08748	1.3
206.11929	2.1
210.11354	6.7
220.13432	2.5
235.13589	1.1
240.57736	0.9
248.12872	1.2
249.06201	0.9
266.14114	0.9
270.10736	0.9
290.17569	4.0
308.18573	2.9
321.42374	0.9
333.53366	0.9
334.16522	4.8
352.17630	100.0
353.18027	10.5
370.11371	1.6
370.15244	1.6
370.18719	29.9
371.09952	3.3
371.19016	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23352	0.9
61.98829	100.0
65.99901	0.9
69.94865	2.8
121.02934	3.4
144.74899	0.9
243.97104	1.1
370.10004	2.1
372.29282	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.6
59.01379	100.0
60.01709	1.6
61.98828	27.5
71.01377	2.2
73.02934	4.1
81.03442	1.3
85.02946	3.8
87.00872	6.3
89.02457	1.7
98.25751	1.3
99.30661	1.6
101.02458	1.8
107.05020	4.7
108.02157	2.1
111.08187	1.3
111.37682	1.3
115.00397	1.6
121.02925	4.5
133.02919	5.7
134.03267	2.8
135.04515	1.5
148.11320	2.7
150.95639	1.3
152.01155	6.3
153.05544	5.8
165.00821	2.2
166.02693	1.5
166.12280	2.9
167.03438	2.8
179.03490	1.7
195.03015	3.4
196.03305	1.4
197.04544	14.7
208.00070	3.4
210.11365	3.4
222.14963	3.1
228.89894	1.4
266.13986	12.2
267.14151	1.6
307.08109	1.4
352.17551	1.8
370.13977	2.0
370.18707	39.6
371.05725	4.1
371.19012	3.8
392.13544	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	370.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	10.4
69.09594	10.4
71.18972	19.0
177.77489	11.2
250.88371	12.2
295.22775	100.0
296.23148	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41306	0.8
59.01376	14.8
61.98817	3.3
62.94088	0.9
63.85633	0.8
67.01874	0.9
69.03463	1.2
70.95669	1.5
71.01390	3.9
71.05019	0.9
73.02934	2.5
85.02947	12.4
87.00868	7.0
87.04510	1.8
90.97139	1.2
93.03462	4.0
97.02975	1.1
98.49422	0.9
101.02459	1.9
107.78613	1.0
108.02161	3.3
111.04520	2.2
113.02408	1.4
115.04021	1.4
117.00422	2.6
121.02933	1.4
123.04541	2.2
126.98829	1.2
127.03943	0.9
132.98207	1.3
135.04535	13.0
136.01631	1.4
137.02432	2.0
140.75426	0.8
141.03949	0.9
143.02029	1.1
143.05641	3.8
145.03596	2.1
146.18420	0.9
149.06055	1.1
151.04002	1.8
152.01157	2.4
153.05556	1.0
158.99699	2.7
159.01443	2.8
159.02951	3.5
160.97733	1.2
161.01289	1.1
167.02151	1.6
167.03473	6.8
169.03568	9.2
170.99831	2.0
171.01471	14.8
172.01569	1.0
173.01311	1.8
173.04497	8.4
174.99286	1.0
185.01405	1.4
185.03036	21.9
186.03136	3.0
186.99260	21.5
187.04617	58.2
188.04755	3.8
191.05618	28.3
192.05923	1.0
196.97519	1.9
197.04526	1.9
198.99295	1.0
201.00787	14.3
201.97971	3.4
203.02318	1.4
213.02547	100.0
214.02753	7.4
214.98740	13.4
229.00276	61.4
229.97481	3.0
230.00615	2.7
235.06056	2.2
239.02411	1.2
256.99741	2.6
270.00754	1.1
271.04877	1.2
274.35910	0.9
284.02118	1.3
327.03943	4.6
353.08777	2.7
371.01495	50.9
371.09412	12.7
372.01685	7.3
372.10538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.1
59.01368	3.6
67.01913	0.9
69.03450	1.5
69.75928	1.4
69.76282	2.5
80.91679	11.9
81.03472	4.9
82.95421	2.8
83.01389	7.7
86.84987	1.0
87.00880	3.2
88.04027	1.3
93.03450	2.9
95.01376	1.3
95.05019	4.8
97.02932	8.2
98.21957	1.1
99.04494	2.0
108.02167	3.2
109.02951	32.0
121.02953	4.9
122.03738	3.3
123.04523	20.7
125.02452	26.6
126.02917	1.0
135.04488	2.8
137.02444	46.9
138.02792	0.8
139.04008	5.6
142.31436	0.9
145.03011	1.1
146.03699	1.6
147.03033	1.7
147.04395	1.1
149.01056	1.5
149.02437	4.3
150.03192	2.8
151.03996	12.2
152.01134	1.1
157.06575	1.0
159.04533	3.5
160.05231	2.5
161.04837	0.9
161.06053	5.7
162.03235	2.3
163.03969	1.8
164.01099	5.6
165.01929	6.5
167.03502	6.5
173.05963	1.4
174.03220	1.1
175.04024	2.8
175.07663	2.9
179.03462	7.7
185.02408	1.7
187.04018	6.1
187.05548	1.2
188.04782	4.9
189.04074	2.2
191.01939	7.4
201.05563	1.9
202.06348	4.0
203.03685	1.0
203.07124	14.4
205.05069	9.3
212.04973	1.1
221.08167	2.7
227.03188	1.9
227.07094	2.3
233.02986	5.5
243.06381	3.2
245.08183	18.5
246.08522	1.6
247.06102	1.5
271.06094	1.4
285.06015	2.4
289.07175	100.0
290.07535	9.5
311.05392	52.2
312.05652	4.2
327.07288	1.7
329.05112	2.6
371.06140	13.2
371.22897	1.5
371.26926	1.3
372.06485	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	371.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
59.01366	7.3
67.63271	1.2
73.04055	1.6
80.91676	23.7
81.03450	5.1
82.95394	3.3
83.01377	6.0
84.22791	1.3
85.02925	2.3
88.04024	4.1
93.03429	3.3
95.05025	4.6
97.02942	8.7
97.54639	1.4
99.00906	1.3
99.04514	3.1
102.05887	1.2
103.12794	1.2
108.02194	1.9
109.02945	35.1
112.28474	1.4
113.02465	1.9
114.18678	1.3
121.02955	12.7
122.03716	3.3
123.04528	21.0
125.02435	26.4
127.05133	1.5
129.10315	2.4
130.08737	10.1
135.04489	7.3
137.02434	49.6
139.03986	4.4
143.11850	1.7
147.03009	2.7
149.00934	2.9
149.02403	6.7
150.03188	4.0
151.03955	10.6
154.92830	1.2
159.04462	3.2
160.05284	3.1
161.02382	3.5
161.06036	5.2
162.03226	1.8
163.02502	2.0
163.03992	1.7
164.01143	4.6
165.01921	5.3
167.03476	3.7
173.05925	1.6
175.03986	1.7
179.03477	11.8
185.05975	1.6
187.03979	7.2
188.04771	4.3
191.01961	6.1
196.14705	1.5
199.18155	2.8
201.05629	1.6
202.06296	3.5
203.07106	15.0
204.07426	2.2
205.05063	7.9
221.08147	3.9
225.05469	1.5
227.07166	2.9
231.03050	2.0
233.02959	4.3
243.06325	4.0
245.08205	19.9
249.06026	2.1
259.94754	1.5
285.06165	1.7
289.07169	100.0
290.07608	8.7
311.05386	53.5
312.05673	3.1
327.07379	2.6
329.05029	2.9
335.07501	1.9
352.17392	2.4
353.17920	2.8
371.06061	10.4
371.09888	3.2
371.19260	2.2
371.23059	14.5
372.06320	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	371.0773
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.25853	0.3
57.18668	0.3
57.89465	0.4
59.01378	1.4
61.98824	0.9
64.72779	0.4
74.48281	0.4
86.87843	0.3
103.31979	0.3
103.75167	0.3
112.52312	0.4
113.79993	0.3
121.02954	100.0
122.03304	3.3
149.02502	0.5
179.02000	0.8
179.03497	10.2
180.03738	0.5
181.06529	0.6
199.69904	0.4
225.05568	0.5
239.07129	0.4
339.91824	0.4
371.07681	16.7
372.07941	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	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03446	3.0
59.01378	21.8
63.07645	1.0
69.03458	1.2
69.14549	7.0
71.01383	16.7
72.99301	5.6
73.02959	2.8
74.63525	1.0
75.00871	18.6
83.28355	1.1
85.02952	22.0
86.10580	1.1
87.00875	7.8
89.02443	4.1
95.01406	4.4
99.00879	9.8
103.00372	2.2
113.02454	29.1
115.00391	1.9
117.01963	3.2
121.02956	100.0
122.03281	3.0
123.04495	2.7
129.01924	1.6
141.82262	1.2
157.01422	1.6
175.02519	2.8
175.97377	1.4
184.09753	1.2
189.04135	1.3
193.03528	1.9
217.42136	1.2
231.05084	2.9
249.06143	23.7
250.06514	1.3
291.44843	1.4
303.40118	1.2
353.08868	1.9
371.09796	82.3
372.10117	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56419	0.9
55.23321	0.7
57.03436	2.9
59.01379	18.9
67.01881	1.1
68.99809	2.5
69.03449	2.0
70.97482	1.1
71.01379	17.5
72.99292	3.6
73.02934	1.4
75.00869	19.3
81.03445	1.2
83.01388	1.5
85.02946	20.8
87.00871	5.6
89.02432	4.0
93.03453	1.3
95.01363	4.8
99.00871	11.0
103.00369	2.5
109.02984	0.9
111.00928	1.2
113.02444	22.7
114.02707	1.1
115.00375	2.1
117.01946	4.0
121.02951	100.0
122.03275	2.0
129.01959	1.3
175.02472	2.2
177.05289	0.7
231.05128	5.6
249.06131	51.2
250.06477	1.0
254.85710	0.8
353.08829	1.2
371.09802	39.0
372.09912	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	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73215	0.9
56.40577	1.0
56.40862	0.9
57.03440	1.7
59.01376	100.0
60.01696	1.4
64.57806	1.0
65.41510	0.9
66.27285	0.9
71.01383	6.4
72.99310	1.2
73.02961	1.4
73.04070	1.7
75.00873	4.7
82.06626	1.3
85.02946	5.8
87.00875	2.8
87.05606	2.0
89.02490	1.1
93.03455	2.4
95.01389	1.7
99.00895	2.3
100.04082	1.0
101.02421	1.3
108.02077	0.9
109.02940	1.0
110.35555	0.9
112.01651	1.3
113.02451	6.7
117.01980	1.5
121.02953	21.1
127.05126	2.2
128.03557	3.5
129.10310	1.5
130.08734	20.8
133.02983	1.4
135.04555	3.4
137.02382	1.5
139.04019	2.8
140.07144	1.0
143.11848	1.4
145.06174	1.0
161.02393	1.1
169.09828	3.0
176.03993	1.9
179.03487	2.7
180.10312	5.0
186.12485	2.2
191.05559	7.9
197.12907	2.5
199.18135	3.0
223.10898	2.1
240.13545	1.3
241.11922	2.5
249.06110	14.2
270.21939	1.4
314.17606	1.5
335.07645	1.7
353.08652	1.5
354.20444	4.5
369.69669	1.3
371.09729	13.7
371.13632	1.4
371.18390	1.4
371.22894	9.5
372.10263	1.3
372.14294	1.7
372.21555	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.67318	0.9
54.84217	0.7
57.03444	3.8
59.01376	23.0
67.01906	0.9
68.90049	0.9
68.99807	1.0
69.03454	1.9
69.69457	2.6
71.01377	16.3
72.99306	7.1
73.02945	3.0
75.00872	17.3
81.72305	0.8
83.01404	1.2
85.02949	22.7
87.00871	6.6
89.02449	6.2
89.02915	1.0
95.01382	6.2
99.00864	10.3
101.02459	1.1
103.00375	4.6
113.02446	29.8
114.02794	1.0
115.00357	3.4
117.01932	4.0
121.02953	100.0
122.03294	4.5
129.01938	2.1
151.00423	1.1
157.01410	1.9
166.02731	5.4
167.03462	3.2
169.08627	0.8
170.09027	0.9
175.02475	3.4
177.01997	0.8
193.03526	2.3
197.04549	1.1
231.04944	4.2
249.06139	28.8
250.06479	1.1
268.15433	4.4
311.07690	1.0
353.08569	1.9
371.09778	87.2
372.10077	7.5
372.20239	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22720	1.4
57.03438	2.1
59.01112	2.2
59.01376	23.7
69.03455	3.6
70.97723	1.8
71.01377	18.0
72.99285	4.1
75.00873	20.3
83.01395	1.7
85.02945	16.7
87.00868	7.8
89.02434	4.8
93.03426	1.7
95.01384	5.9
99.00881	10.8
105.72681	1.7
105.88127	1.4
113.02454	25.5
115.00368	2.6
117.01920	2.9
118.29818	1.4
121.02949	100.0
122.03290	4.9
175.02417	2.6
189.04051	1.6
189.37621	1.8
215.63477	1.4
231.05074	6.1
249.06134	69.4
250.06454	3.2
304.25528	1.7
313.06061	1.7
353.08627	1.9
361.53827	1.6
371.09796	59.9
371.22931	2.0
372.10202	5.3
380.38846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24874	0.8
54.46774	0.8
57.03442	1.2
59.01378	100.0
59.67740	0.8
60.01705	1.0
68.99814	0.9
69.03426	1.6
71.01382	11.0
71.05614	0.8
72.99304	2.4
73.02937	0.9
73.62441	0.7
75.00869	11.8
76.68954	0.7
77.50146	0.7
79.55384	0.8
79.94456	0.7
83.01387	1.1
85.02953	13.4
87.00866	4.0
89.02441	3.0
95.01375	3.4
95.40630	0.9
99.00886	5.6
103.00374	2.0
111.00861	1.0
113.02447	15.0
115.00331	1.5
117.01942	2.0
121.02954	68.3
122.03308	2.9
129.01918	1.4
175.02481	2.6
189.03865	0.8
231.05031	3.7
233.04865	0.7
249.06134	45.9
250.06435	2.4
359.46796	0.8
371.09802	39.5
372.10034	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	371.1133
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
59.01390	11.8
59.28982	1.8
61.98835	2.8
69.03442	4.6
71.42994	1.7
88.65942	1.6
102.98586	2.6
108.02184	3.2
119.05021	16.0
121.02968	5.3
123.04492	2.3
133.06651	2.1
134.03741	2.1
145.02931	2.5
147.04520	36.1
148.05325	42.5
149.02473	4.8
149.05795	2.0
150.03227	6.5
160.05367	3.3
161.06023	9.7
162.03210	5.4
162.06818	5.1
163.07639	4.0
175.03952	3.2
176.04825	11.3
180.04333	7.8
185.00957	2.5
189.05550	4.1
190.06323	3.6
191.03505	76.1
191.07127	63.6
191.08829	3.8
192.04182	7.7
192.07510	3.7
194.05862	5.6
203.07295	2.0
206.05803	17.0
207.08211	4.3
211.07706	3.1
220.03738	12.8
221.06123	2.2
223.07439	4.1
224.03181	9.8
233.04555	8.2
234.05276	4.7
235.06049	23.4
237.05705	2.5
238.04808	21.4
239.07170	5.6
247.06123	2.1
249.05690	5.3
250.06374	4.4
251.07063	15.9
252.07635	2.1
262.06369	2.9
263.07089	3.0
264.07767	4.3
266.06027	3.5
267.06595	29.0
268.07358	13.6
269.07968	2.6
277.08658	1.8
279.06577	18.4
282.09030	8.3
283.09659	3.9
294.05646	3.9
294.09039	7.5
295.05994	10.3
297.11279	2.6
299.12924	3.1
307.06015	5.6
309.07745	11.2
310.08292	1.8
311.05817	3.7
312.06387	3.2
321.07785	2.5
322.08368	5.3
323.05630	20.4
323.09122	3.0
324.05847	2.0
326.08014	7.0
327.08676	8.5
327.12363	18.8
328.12854	2.8
338.07932	21.8
339.08356	3.2
341.10236	32.0
342.10446	3.3
353.10291	55.7
353.14600	3.0
354.10648	5.8
355.59503	1.9
371.11353	100.0
371.24310	7.0
372.11688	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	371.1133
Annotation	7,8,3',4',5'-Pentamethoxyisoflavone
Peak:m/z	Relative Intensity
59.01373	1.9
67.01878	0.7
68.99793	1.2
71.01357	1.1
80.02657	0.8
81.03449	0.7
83.01389	0.8
85.02927	0.5
88.79578	0.3
89.72050	0.4
93.03452	0.7
94.24576	0.3
95.01421	0.4
97.02956	0.3
102.28624	0.3
107.01397	1.0
107.05007	0.3
108.02172	18.4
108.63121	0.3
109.02975	5.7
111.00896	2.7
117.03465	0.3
121.02930	1.2
122.03745	0.8
123.00886	7.9
123.04516	1.2
124.01674	7.8
131.05042	0.8
133.02928	0.5
134.03726	2.0
135.04532	2.1
136.01663	3.6
137.02425	0.8
139.00372	0.6
145.02933	0.6
147.04495	1.3
148.05202	0.4
149.02379	0.3
150.03189	1.5
151.04015	0.8
152.01135	0.5
159.04460	0.6
160.80902	0.3
161.02440	1.0
161.06053	0.4
162.03209	3.1
163.04013	9.5
164.04391	0.6
165.01921	0.7
174.03287	0.5
175.04001	7.5
176.04501	0.8
177.01949	0.6
177.05493	1.2
178.02757	1.8
179.03456	1.4
187.04027	0.6
188.04788	0.8
189.05542	1.5
190.48141	0.4
191.03487	0.8
191.05583	1.2
200.04689	0.4
205.05048	5.7
206.00679	0.3
206.05681	1.1
207.05388	0.3
214.06316	0.4
221.08078	0.4
296.06775	0.6
323.05453	0.5
325.07150	7.2
326.07578	0.7
328.09500	1.0
337.07132	0.7
355.08304	1.8
356.08997	57.1
357.09329	5.8
371.11340	100.0
372.11646	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	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69666	0.5
51.29096	0.5
55.60023	0.5
58.30481	0.5
59.01369	1.9
62.41276	0.5
62.67033	0.5
69.96947	1.6
71.66599	0.5
74.74969	0.6
89.73878	0.5
94.63654	0.6
108.02166	3.3
117.92801	0.5
119.05057	0.8
121.02962	0.9
123.00884	2.3
123.04503	3.4
133.02945	2.2
134.03738	60.1
135.04103	2.3
136.01674	0.9
136.38219	0.5
137.02460	5.9
138.03223	1.1
139.04050	1.2
147.04453	1.0
147.83298	0.5
149.06090	18.3
150.06255	0.6
161.02422	1.0
162.03232	23.0
163.03749	1.2
173.06046	2.3
177.05571	22.6
178.02716	37.3
178.05814	1.5
179.03065	1.7
180.04005	0.6
192.04272	2.9
193.05052	100.0
194.05386	4.8
231.87198	0.5
247.06090	7.6
274.34222	0.6
312.09882	0.8
327.12277	4.5
371.11392	15.3
372.11737	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	371.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02200	0.5
59.01363	2.1
65.52315	0.6
69.69792	1.3
69.70143	1.0
70.72087	0.5
71.01362	1.1
73.46783	0.6
84.82724	0.6
85.02952	10.1
87.00857	2.3
93.03460	3.3
98.22616	0.8
111.04503	1.2
127.04019	1.4
160.06131	0.9
173.04503	0.9
191.05611	100.0
192.05902	3.7
217.87753	0.6
278.95309	0.6
292.33081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35746	0.3
59.01377	100.0
60.01708	1.0
62.19137	0.4
69.31750	1.9
71.01378	0.8
73.02959	0.4
74.23031	0.3
89.02441	0.6
113.02426	0.5
121.02977	0.4
160.73045	0.4
173.04584	0.7
182.34993	0.4
191.05681	0.4
204.47951	0.4
243.11241	0.5
249.06236	0.4
371.13678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26930	0.3
59.01379	100.0
60.01716	0.9
69.16788	2.1
69.42342	0.3
71.01391	0.7
73.02942	0.6
77.66365	0.3
85.02969	0.8
87.00891	0.5
87.47129	0.3
89.02467	0.5
101.02431	0.5
102.98608	0.4
106.01385	0.4
110.86648	0.4
113.02452	0.4
121.02913	0.7
135.04558	1.0
139.07675	1.1
149.02486	0.5
150.03235	0.4
152.54417	0.3
165.05562	0.5
166.02745	0.4
173.04549	0.4
191.05672	1.5
243.08679	0.8
371.09598	0.8
371.13470	1.1
371.17453	1.9
372.18015	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	371.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	0.8
69.46288	0.2
70.26945	0.4
71.01386	1.3
73.02954	0.4
78.04138	0.2
85.02961	0.6
85.73450	0.2
87.00869	0.2
89.02447	0.7
91.40021	0.2
99.04488	0.2
101.02424	1.0
108.99246	0.2
113.02460	0.6
119.03497	0.3
135.04492	0.3
159.02943	0.2
161.04697	0.4
180.95557	0.2
191.05626	0.3
207.13905	6.9
208.14204	0.4
225.14923	2.1
236.47685	0.2
251.12985	0.8
267.16013	3.0
268.16254	0.2
269.14026	0.3
311.15073	1.3
327.08908	0.5
329.16202	0.3
371.11584	0.3
371.17157	1.2
371.20313	0.2
371.21085	0.4
380.07169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49942	10.3
59.01372	100.0
61.98804	30.6
102.45177	10.8
116.92814	11.8
162.83891	27.0
306.25537	11.2
310.44666	11.7
315.28006	12.2
328.28778	16.4
371.22009	21.0
371.31607	92.9
371.83124	11.4
371.88116	16.3
392.46335	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	372.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.8
71.40898	1.1
97.93136	2.5
99.92586	80.6
100.92587	4.8
100.93306	2.8
115.92087	9.6
116.92107	2.0
116.92863	12.5
118.89977	71.8
119.89993	4.7
119.90771	6.4
134.89444	6.4
135.90247	30.5
136.43759	1.3
136.90237	2.0
141.93631	2.0
253.83754	1.3
259.62576	1.2
292.92538	1.1
295.86002	1.1
336.13956	21.2
337.14102	3.2
372.11624	100.0
373.11877	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	372.123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35657	1.0
58.99595	11.2
59.01364	4.3
61.05836	0.9
70.66339	1.4
72.01590	0.8
73.04061	1.4
87.00867	1.7
87.05607	1.0
89.24189	0.9
95.87534	1.0
96.04520	2.0
97.07700	1.7
103.92037	2.3
107.09961	1.1
110.06095	10.1
111.02026	2.0
112.04021	1.1
113.03535	1.4
122.06109	30.6
123.06488	1.9
124.07724	1.2
128.01735	3.3
128.03482	1.0
128.07199	4.7
129.10342	2.1
131.03458	1.4
131.41106	1.0
136.04091	1.0
145.09814	100.0
146.10223	4.7
154.03328	2.1
164.07120	2.3
165.06670	1.7
170.12971	4.8
171.07700	4.8
179.04607	1.8
182.02753	1.2
185.22740	1.1
187.09070	13.7
191.05594	4.3
207.15044	2.8
214.12024	5.0
215.02422	1.2
222.16119	1.5
225.03329	12.2
226.01715	1.4
239.15190	1.3
250.15599	11.8
264.13586	2.5
268.15460	1.6
268.99921	1.5
269.99084	1.0
273.60361	1.1
284.14337	1.6
294.14548	8.1
308.12543	2.3
322.27200	1.2
328.13321	21.6
329.13760	1.8
354.11255	15.4
355.11475	1.8
371.26892	1.5
372.12296	77.3
372.19641	3.4
373.12549	6.2
373.16983	1.6
382.37268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52116	6.9
57.03429	22.3
58.99625	8.1
59.01373	21.9
66.90009	6.3
67.88303	6.5
73.02943	9.6
73.04015	6.5
74.02464	12.1
75.46971	7.0
80.91690	10.7
82.95414	93.4
84.04546	10.1
85.02943	13.5
86.22957	6.2
88.04045	8.1
93.03483	9.0
94.44096	6.5
96.96014	7.2
97.02975	8.3
102.05594	24.0
108.02153	7.1
109.02947	24.4
110.03299	9.4
113.22990	8.2
119.63557	6.3
121.02934	9.6
123.04494	16.5
124.04795	13.2
125.02428	27.2
126.02808	7.7
128.03537	63.4
129.10359	7.6
130.08728	24.0
135.04509	6.7
136.00691	6.1
137.02415	39.8
138.02774	20.1
146.04634	10.7
151.03960	9.0
152.85376	6.5
175.29900	6.3
176.07642	6.3
179.03493	12.9
180.03963	6.8
181.13431	7.4
188.04512	6.3
191.05624	24.8
204.07405	12.6
206.05469	8.9
225.15929	9.2
243.17076	20.0
246.08424	18.8
259.11884	16.4
268.15558	34.2
289.07092	18.5
290.07550	88.6
312.05786	43.1
343.19791	9.2
354.18256	9.1
372.06223	15.7
372.20715	100.0
373.00150	9.0
373.06589	9.4
373.10791	22.1
373.20865	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	372.158
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85054	90.3
67.85465	90.0
68.75418	81.6
70.76827	86.8
71.05188	100.0
84.02367	76.8
96.27983	85.7
110.82312	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
60.62735	0.8
61.98826	100.0
69.19688	0.6
69.90305	1.5
69.90632	0.8
98.21964	0.8
109.91480	0.6
182.94820	0.8
195.25031	0.7
236.34163	0.8
308.89383	0.8
373.14432	1.5
378.28290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37809	0.4
57.03445	26.1
58.03769	0.6
59.01105	0.7
59.01376	6.4
60.01710	0.6
69.03454	0.9
69.76893	1.5
70.02977	0.8
71.01382	2.5
71.05022	0.8
73.02941	12.7
75.00860	1.2
75.24799	0.5
79.22083	0.5
84.04559	3.3
85.02951	7.8
86.03290	0.9
87.00864	4.9
89.02447	1.7
95.01361	0.6
96.04552	3.6
97.02982	0.9
99.00847	0.9
101.02429	0.6
101.06055	0.8
113.02457	2.4
114.02736	0.6
117.01958	0.8
119.03500	0.5
121.02936	5.7
122.03268	4.5
138.05621	1.1
138.09206	0.6
148.07677	1.1
149.06094	0.8
161.04578	0.6
164.10817	0.7
176.14471	1.7
178.08560	0.5
188.14420	1.7
190.12401	1.0
192.13869	0.8
193.05144	0.8
194.11876	2.7
194.15456	2.3
197.11777	2.2
202.12245	0.7
206.15486	3.9
220.13402	8.8
222.11275	0.6
224.16588	0.9
232.13399	1.8
238.14522	1.8
239.14775	0.5
250.06461	2.1
250.14482	8.4
251.14792	1.1
262.42923	0.5
268.15509	56.5
269.15854	4.8
279.20950	0.5
290.17572	0.6
308.18665	2.2
354.19150	4.7
361.96228	0.5
372.10272	8.1
372.20233	100.0
373.10797	1.0
373.20544	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58739	1.4
59.01358	3.1
61.98827	100.0
64.46485	1.5
68.72805	1.7
70.79735	2.6
100.32723	1.3
200.77280	1.3
287.09439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.58988	0.9
70.71989	0.8
77.54485	0.8
259.16870	1.0
273.77292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60949	21.0
57.97018	18.7
69.30049	100.0
81.79082	17.5
98.21803	26.8
128.87306	18.6
219.52998	20.7
279.21185	22.2
312.97198	22.4
353.66534	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	372.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68958	67.4
62.60977	69.7
64.83585	68.3
70.63894	87.9
70.64220	100.0
71.77647	77.2
91.56822	79.8
102.06767	68.4
125.12371	73.2
157.59402	76.6
198.26834	86.6
359.01276	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01869	1.6
56.06696	0.7
57.03442	1.4
59.01378	63.3
60.01701	0.8
71.01381	28.3
72.80995	0.7
72.99306	0.8
73.02934	4.4
75.00877	0.8
81.03455	2.3
82.95412	12.2
83.01388	3.3
85.02952	6.5
87.00884	2.3
89.02445	24.6
89.03010	1.2
91.01896	7.0
95.01364	3.6
97.02930	1.2
98.22673	1.8
99.00875	1.8
101.02441	19.4
102.05602	0.9
107.01370	4.4
108.02181	6.7
109.02975	2.2
113.02451	12.6
115.04007	2.4
119.03508	11.1
121.03014	1.3
123.00874	1.3
123.04530	29.5
124.04898	1.1
125.02426	2.3
127.05192	1.2
128.03531	2.0
128.76859	0.8
130.08653	0.9
131.03464	0.8
134.03760	1.2
134.49597	0.8
135.02991	2.3
135.04564	1.3
137.02469	1.6
139.00410	1.0
143.03490	1.0
145.06186	5.2
146.04610	1.5
149.06000	1.1
151.00366	5.6
151.03972	1.2
152.01160	4.7
160.71664	0.8
161.02406	0.9
161.04526	1.9
166.08678	1.1
167.03491	75.0
168.03825	3.5
168.10289	4.0
169.08691	2.2
170.09009	1.1
178.02707	0.7
179.03583	0.7
179.05611	2.0
184.09753	7.3
185.10126	4.2
193.01807	1.0
193.05022	1.0
196.03703	2.7
197.04610	2.2
211.06110	4.6
216.66852	0.7
239.05771	0.9
245.35066	0.8
253.07097	1.1
255.09836	2.3
291.07922	0.8
354.19278	1.3
355.19540	4.6
358.09021	2.0
372.20453	0.9
373.11362	100.0
373.20178	3.7
374.11682	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26072	1.4
59.01380	30.6
61.98834	4.5
69.51350	4.2
69.51696	2.6
71.01392	1.5
71.04984	1.3
87.00880	3.9
88.04056	2.2
89.02460	1.6
89.92078	1.5
93.03498	1.6
96.96037	2.0
101.02488	1.5
103.92015	2.1
108.02177	4.7
109.02934	2.8
120.01286	3.3
128.03554	3.8
134.03749	65.5
135.04134	2.8
136.01672	48.7
137.02336	2.4
139.17329	1.4
146.04594	1.5
147.29015	1.6
149.06090	100.0
150.03123	1.6
150.06409	3.7
151.04016	82.4
152.01180	2.2
152.04388	3.0
153.01970	7.0
168.04233	4.0
178.02655	3.2
183.97697	1.4
191.05569	3.2
193.05008	9.7
211.06125	24.6
212.06517	1.5
258.20389	1.5
315.07315	3.5
355.12234	1.7
373.07104	2.1
373.11377	23.6
374.11740	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
58.00602	1.6
59.01376	100.0
60.01706	1.4
67.01858	1.9
69.03455	49.3
69.04874	5.1
71.01379	47.5
73.02934	1.9
83.01380	2.4
85.02953	8.5
85.08418	1.3
87.00881	1.8
89.02443	54.2
93.03462	12.7
95.01379	2.9
95.05019	1.4
97.02948	72.9
98.03265	1.7
101.02445	23.4
105.03481	6.1
111.44913	1.2
113.02447	17.4
119.03500	23.0
121.02946	1.4
121.06569	2.9
123.04520	17.1
131.03540	2.0
133.15012	1.3
136.95160	1.1
141.01930	2.6
143.03458	2.9
149.04718	2.4
149.06084	29.4
150.06445	1.9
160.44673	1.1
161.04572	1.6
167.07123	8.0
177.22787	1.2
179.05643	6.1
193.05055	46.3
194.05443	2.4
223.04878	1.1
233.34241	1.1
373.11371	25.5
374.11710	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	373.1141
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.21783	1.3
55.01879	1.6
55.68290	1.1
57.03444	2.8
58.99595	1.3
59.01378	100.0
67.78700	1.1
69.03454	24.3
70.94420	1.5
71.01382	49.2
72.99313	2.6
73.02950	6.4
76.40727	1.3
83.01385	4.6
85.02945	11.4
87.00868	3.7
89.02444	54.4
89.19896	1.2
93.03465	5.2
93.31606	1.1
95.01390	4.6
97.02951	35.2
99.00907	1.1
99.92538	1.2
100.14926	1.0
101.02441	29.7
105.03479	1.4
107.03801	1.3
108.02164	1.8
113.02448	19.0
119.03504	21.6
121.02928	3.5
121.06556	2.4
123.04526	9.9
124.01685	2.7
129.10396	1.8
130.08751	2.7
131.03488	2.8
134.03746	3.4
136.01678	4.9
137.02426	2.1
138.03226	2.0
139.00400	2.0
139.04042	3.1
139.07619	1.4
143.03551	3.6
149.04791	1.6
149.06075	19.3
150.06438	1.6
151.03990	8.2
151.07713	1.2
152.01131	1.3
152.04675	1.4
153.01897	6.0
153.05606	2.0
161.04512	5.8
166.06273	1.1
167.07104	8.4
178.02733	2.9
179.05649	4.7
180.00661	4.5
181.01503	1.2
191.05598	1.2
193.05051	24.0
195.02992	10.3
196.03751	34.6
197.04417	5.5
210.05309	1.4
211.06111	55.2
211.13428	4.3
211.54205	1.2
212.06438	3.6
269.15836	1.8
284.96158	1.2
343.20001	1.5
358.08994	1.6
373.11349	59.3
373.18378	26.3
374.11710	4.2
374.19193	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	373.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.76405	0.8
57.03438	1.0
58.02262	0.9
59.01377	35.0
59.70091	0.9
61.98819	1.1
62.22521	0.8
65.00259	0.8
67.01896	1.7
69.29446	4.6
71.01378	11.9
72.99304	0.9
73.02927	4.4
74.02470	2.0
80.18909	0.8
81.03462	0.8
83.01364	1.8
85.02949	5.9
89.02441	4.4
93.03485	1.4
95.01362	1.8
95.02506	1.4
99.00858	1.5
99.97463	0.8
101.02431	10.3
107.01377	2.2
108.02168	21.6
108.04552	2.3
109.02950	15.9
111.00874	4.8
113.02431	4.8
117.03392	0.9
119.03513	0.8
121.02978	1.9
122.03717	1.5
123.00885	14.9
123.04531	6.9
124.01675	10.3
125.02435	0.9
127.00324	1.1
132.04546	3.2
134.06137	2.6
136.01665	9.2
137.02411	2.1
138.03152	1.4
139.00371	1.8
139.04015	1.6
145.02975	2.7
146.03716	2.0
147.04517	24.4
147.05637	1.7
148.05246	2.4
150.03212	2.0
151.03986	3.6
152.07187	4.4
158.03706	0.9
159.04497	4.1
160.05324	1.5
161.02411	3.6
161.04575	5.0
161.05817	0.9
162.03247	5.2
162.06827	2.6
163.04005	14.9
166.49785	0.8
173.02467	4.9
174.03214	7.2
175.04002	4.3
177.05580	4.3
178.06465	0.9
179.03453	1.0
179.07147	0.9
185.02444	1.1
186.03165	1.0
187.04005	2.2
188.04790	16.0
189.01997	1.1
189.05490	4.1
190.05157	1.0
193.05054	2.9
203.06992	0.9
204.04350	1.2
205.05133	0.9
206.30980	0.8
207.06558	0.9
208.06062	0.9
271.06726	1.1
279.06586	0.9
280.07172	1.2
283.06165	3.7
294.08902	1.2
294.60477	0.9
295.06033	2.5
297.12433	1.0
298.08441	32.5
299.08850	3.1
309.07687	1.3
310.08453	4.1
313.10791	84.8
314.11099	8.1
315.08917	1.0
325.10806	6.1
327.08658	1.2
341.11459	3.8
342.11850	1.0
343.08148	2.5
343.11853	17.8
344.12268	2.5
355.12689	2.0
357.09616	1.1
358.10513	9.5
359.10806	1.8
373.12930	100.0
373.22647	3.4
374.13266	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
55.01877	3.4
59.01371	0.8
67.01886	0.4
69.03451	100.0
70.03792	1.8
70.96069	0.4
71.01364	0.5
72.99303	1.1
78.39632	0.5
79.01884	4.1
83.01351	0.4
85.02936	0.5
95.01400	1.1
97.02946	17.5
99.00875	23.8
100.01225	0.5
123.00900	0.7
141.01932	8.8
176.64851	0.5
185.00899	52.7
186.01245	1.5
187.13373	4.4
373.15036	11.2
374.15305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14162	0.9
51.02362	1.4
55.01868	1.4
57.03450	0.8
59.01376	34.8
60.77609	0.9
65.98411	0.9
67.01894	1.3
68.81654	1.0
69.03453	58.4
70.03789	1.1
71.01383	11.0
71.05015	5.2
72.99300	1.6
73.02949	1.6
79.01891	13.5
81.69876	0.8
83.01366	1.5
85.02939	2.3
87.00871	1.6
89.02452	1.4
95.01389	3.6
96.61771	0.9
97.02945	74.6
98.03290	1.6
99.00882	10.6
99.08148	4.2
101.02446	1.4
109.02957	0.8
111.00858	2.0
113.02489	1.5
115.00401	1.5
115.04088	1.1
123.00882	4.4
130.08704	0.9
141.01936	100.0
141.12857	11.4
142.02295	3.4
143.11897	1.3
157.08675	1.1
159.02936	2.1
161.04526	1.0
169.12338	1.5
185.00902	33.8
185.11769	1.3
186.01251	1.4
187.13382	81.3
188.13754	3.4
203.01968	33.3
203.03845	1.9
237.93062	1.1
262.38058	0.8
268.48218	0.8
313.16513	1.5
373.14880	26.6
373.18768	3.9
374.15219	2.4
374.19748	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	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01378	100.0
60.01691	0.7
71.01378	7.0
73.02953	2.8
74.99101	1.0
84.05868	0.5
85.02953	3.4
87.00879	1.0
89.02452	2.5
93.03463	2.4
98.22599	1.7
99.24673	0.6
101.02443	3.9
102.98616	1.9
109.02982	0.8
111.04543	0.7
113.02415	3.5
119.03503	0.7
121.02950	1.1
122.03301	0.8
130.08778	0.9
133.78674	0.6
135.04570	0.7
151.03958	0.8
163.02789	0.8
163.04079	0.8
164.04799	0.6
169.08678	1.0
173.04607	1.8
191.05595	6.5
191.07120	0.7
223.21655	0.6
243.06937	0.9
249.62628	0.6
258.26938	0.7
265.07251	1.1
313.12943	2.7
331.13995	7.5
331.17542	1.3
332.14279	0.8
355.19821	1.3
373.14746	1.7
373.18359	4.9
374.19690	0.8
383.08023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14162	0.9
51.02362	1.4
55.01868	1.4
57.03450	0.8
59.01376	34.8
60.77609	0.9
65.98411	0.9
67.01894	1.3
68.81654	1.0
69.03453	58.4
70.03789	1.1
71.01383	11.0
71.05015	5.2
72.99300	1.6
73.02949	1.6
79.01891	13.5
81.69876	0.8
83.01366	1.5
85.02939	2.3
87.00871	1.6
89.02452	1.4
95.01389	3.6
96.61771	0.9
97.02945	74.6
98.03290	1.6
99.00882	10.6
99.08148	4.2
101.02446	1.4
109.02957	0.8
111.00858	2.0
113.02489	1.5
115.00401	1.5
115.04088	1.1
123.00882	4.4
130.08704	0.9
141.01936	100.0
141.12857	11.4
142.02295	3.4
143.11897	1.3
157.08675	1.1
159.02936	2.1
161.04526	1.0
169.12338	1.5
185.00902	33.8
185.11769	1.3
186.01251	1.4
187.13382	81.3
188.13754	3.4
203.01968	33.3
203.03845	1.9
237.93062	1.1
262.38058	0.8
268.48218	0.8
313.16513	1.5
373.14880	26.6
373.18768	3.9
374.15219	2.4
374.19748	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	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29399	2.9
56.73576	3.4
59.01080	4.9
59.01377	81.6
63.39780	2.7
71.01376	7.4
71.06654	4.9
73.02944	3.6
89.02407	4.5
101.02423	4.0
108.02169	3.5
109.02972	7.4
113.02374	3.8
118.98126	3.1
125.02506	3.3
136.01662	72.1
137.02513	19.4
138.03220	13.7
150.03204	3.9
151.04005	72.9
152.01164	13.0
153.10513	3.2
155.10741	3.2
162.03214	5.0
163.03958	6.4
167.03505	11.5
175.07623	3.2
179.03514	7.0
225.05522	3.2
225.14970	50.6
269.14020	11.7
313.10852	3.4
329.16013	5.2
336.18253	4.4
337.18607	3.7
358.10437	33.8
358.14557	3.3
359.11017	3.6
373.12927	100.0
373.17697	5.2
373.22485	6.5
374.13361	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	373.1502
Annotation	8-Epideoxyloganin
Peak:m/z	Relative Intensity
53.84950	0.9
55.01868	3.5
57.03429	2.9
58.99591	1.1
59.01379	51.2
59.15437	1.0
61.98816	3.4
70.72686	2.0
71.01378	41.8
72.99287	1.5
73.02943	16.4
75.00887	1.9
80.05042	1.7
83.01392	9.1
85.02944	23.9
86.00093	1.6
87.00878	5.7
89.02442	11.7
93.03436	2.3
95.01369	4.5
99.00885	6.0
100.92177	1.0
101.01788	2.1
101.02441	39.3
102.98621	1.4
108.02168	1.3
113.02444	16.2
119.03475	5.1
123.04550	1.4
124.04026	3.0
129.01939	1.6
130.08762	1.4
135.04539	1.5
136.01607	1.3
137.02415	1.3
139.00273	1.3
143.03467	1.7
150.03241	2.6
151.04030	2.6
152.04793	1.5
159.02953	2.2
161.04573	9.4
163.04004	4.7
164.04727	2.0
165.05501	3.1
173.04512	2.3
179.07115	1.5
181.05057	16.8
182.05705	1.6
191.05614	8.7
196.07399	21.9
197.07948	1.9
199.75714	1.0
211.04347	1.3
211.09752	41.7
212.10020	3.6
265.07220	2.2
281.10074	1.1
290.12473	1.2
295.87927	1.1
311.95056	1.1
329.11789	1.6
336.18188	1.1
338.19769	5.2
358.12585	4.8
373.10849	5.6
373.14993	100.0
374.10889	2.4
374.15298	6.9
374.19614	2.0
381.06097	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96371	0.4
52.32997	0.4
56.92066	0.4
57.03438	0.5
59.01379	100.0
60.01713	1.2
61.98826	0.6
66.16378	0.6
69.04974	2.1
69.05391	1.1
71.01383	8.9
73.02950	5.0
83.01406	1.7
83.05029	0.5
85.02960	2.4
86.00153	0.4
87.00858	0.6
89.02444	5.5
93.03477	1.2
95.01425	0.8
101.02443	7.5
113.02444	4.1
119.03509	2.1
120.15456	0.4
131.03552	0.7
135.04582	0.5
143.03549	0.6
161.02502	0.7
161.04570	2.8
163.04094	0.4
164.85567	0.4
173.04642	2.0
179.03557	0.4
179.05634	0.7
191.05666	0.7
196.58008	0.4
199.55623	0.4
293.08722	0.5
331.17590	5.8
363.84277	0.5
373.12747	0.6
373.18423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
59.01377	100.0
60.01705	0.7
61.98826	0.5
69.03462	0.5
69.66525	1.0
71.01382	5.3
73.02942	2.2
83.01402	0.4
84.38103	0.3
85.02942	2.0
88.04022	0.4
88.86176	0.3
89.02433	2.8
91.86996	0.3
93.03465	0.4
96.00999	0.3
97.02942	0.7
99.00921	0.6
101.02444	2.9
108.02101	0.3
109.02926	1.8
112.09068	0.4
113.02427	2.7
115.00431	0.3
119.03505	1.1
123.52516	0.3
125.02502	0.3
130.08739	2.6
141.01921	0.5
143.03520	0.3
161.04568	2.1
164.07243	0.4
207.11348	0.5
243.11812	0.5
313.16586	0.4
325.07324	0.7
331.17636	1.1
373.18512	3.6
374.21045	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	1.1
69.40646	1.6
71.01382	9.8
73.02947	9.3
79.08273	0.4
83.01382	1.8
83.61479	0.4
84.76624	0.4
85.02936	2.0
89.02439	8.6
89.02942	0.6
90.10588	0.4
95.01389	0.8
101.02440	8.6
113.02439	4.9
119.03500	2.8
131.03503	0.9
143.03484	0.4
144.85909	0.4
149.04556	0.6
161.04596	0.8
162.87059	0.3
179.05629	0.4
202.91273	0.4
262.97073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03440	0.4
59.01378	100.0
60.01704	1.1
61.98799	0.2
64.02271	0.2
64.34415	0.1
69.16724	1.2
71.01382	6.3
73.02941	2.5
83.01395	0.7
85.02944	2.0
87.00887	0.5
88.39266	0.2
89.02448	2.9
93.03479	0.2
95.01395	0.5
97.02966	0.4
99.00902	0.6
101.02449	3.4
101.16822	0.2
108.04551	1.2
109.02995	0.2
111.00835	0.2
113.02445	2.7
119.03526	0.8
128.46059	0.2
132.04582	0.7
141.19376	0.2
143.03577	0.4
147.33032	0.2
155.10823	0.3
159.03070	0.2
161.04546	1.7
173.04625	0.6
178.99916	0.4
179.05649	0.2
179.07106	0.2
253.09810	0.4
254.57126	0.2
279.96008	0.2
297.08859	1.0
313.10876	0.2
313.16602	0.3
329.11539	0.4
331.17499	1.0
360.48959	0.2
373.14246	0.3
373.18686	0.7
374.19431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46047	0.9
57.03452	0.9
59.01374	100.0
60.01702	1.9
61.98799	2.3
71.01379	10.8
72.99331	1.1
73.02946	9.5
83.01382	1.1
83.05006	1.5
85.02944	3.6
89.02444	9.7
91.49471	0.8
101.02426	8.8
101.65302	1.0
109.02947	0.9
113.02448	4.5
119.03484	3.9
126.05820	0.9
130.08699	1.5
131.03424	1.5
159.79266	0.9
161.04617	1.5
177.88966	1.1
193.05040	1.2
228.04451	1.2
243.06549	2.0
269.13870	1.0
269.17365	1.4
313.16513	3.9
331.17532	3.0
373.13791	1.4
373.18713	13.5
373.25995	1.3
397.19016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.3
61.98800	1.3
67.64794	0.7
69.35372	3.5
73.55339	0.7
73.60707	0.6
93.03473	2.2
97.06588	1.0
98.21879	1.6
125.58147	0.7
129.02037	0.8
132.65729	0.8
141.10832	0.7
148.08910	1.1
150.10516	1.5
163.11298	1.4
165.12831	23.1
166.13260	1.0
176.12041	1.2
191.14355	0.8
192.95894	1.0
199.98700	0.9
215.95979	1.4
217.16035	0.9
244.10699	4.1
247.20659	10.6
248.20982	1.0
273.18530	5.0
291.19641	100.0
292.19962	9.7
303.07990	1.0
313.17841	14.0
314.18231	1.7
373.19922	16.1
374.20203	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	373.2016
Annotation	Spiramacetal
Peak:m/z	Relative Intensity
55.15118	0.5
59.01377	10.3
59.36570	0.5
84.59431	0.5
138.68150	0.6
165.46245	0.6
177.05486	0.6
184.77029	0.5
190.06297	0.7
191.06895	0.6
193.91574	0.5
230.55482	0.6
241.19647	0.9
243.17459	0.6
255.10286	1.3
255.13864	1.1
256.48547	0.6
260.45731	0.5
269.15338	1.4
270.16077	3.0
283.13327	2.0
285.18567	14.3
286.18991	1.6
298.15710	1.5
313.18076	100.0
314.18454	12.6
344.58578	0.7
373.20126	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	373.2228
Annotation	Myrsinionoside A
Peak:m/z	Relative Intensity
55.01877	10.0
57.03444	7.2
58.00586	0.9
58.14598	0.5
59.01376	88.8
60.01713	1.3
63.36112	0.7
69.03479	0.9
71.01379	100.0
72.01740	1.4
72.99306	1.9
73.02944	39.1
75.00872	2.1
81.03464	0.7
83.01384	19.9
83.51339	0.6
84.02172	1.0
85.02948	49.4
86.00101	1.8
86.03301	1.6
87.00867	4.1
89.02438	19.9
95.01380	9.3
97.02950	2.9
99.00880	14.4
101.02440	92.5
102.02795	0.9
102.29171	0.6
109.87315	0.5
111.00912	1.4
113.02447	44.4
114.02825	0.9
119.03493	6.2
125.02435	2.5
129.01968	1.9
131.03473	0.8
135.04518	0.6
143.03488	6.7
159.02994	11.2
161.04553	56.9
162.04897	1.1
179.05566	0.9
205.03467	1.0
235.58966	0.6
297.08615	0.8
353.67108	0.5
355.21170	1.4
373.22299	49.8
374.22726	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	373.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.2
69.05710	31.2
71.01377	33.3
86.02477	17.5
92.74934	4.5
98.22701	9.3
221.82419	4.6
277.66299	4.5
312.25757	5.1
330.26477	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	373.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15001	1.4
59.01385	10.0
61.98823	11.3
70.66229	2.7
76.57490	1.6
86.02465	3.3
88.04025	7.1
88.24864	1.6
179.67564	1.5
189.09900	1.7
199.98828	3.0
215.96021	3.7
232.10849	8.5
241.21677	14.5
289.18185	2.1
290.18692	3.3
374.24472	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	374.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03483	5.2
82.02972	10.8
96.59235	1.1
98.22721	1.9
108.04597	1.5
110.02480	39.0
111.02009	16.8
122.02479	2.9
124.04004	1.4
130.08733	74.0
131.09047	2.1
140.03528	4.9
152.03525	7.4
153.03033	2.1
158.20952	1.1
187.90453	1.2
200.05635	16.8
243.06200	100.0
244.06381	6.3
303.19348	1.2
399.88315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	80.6
61.98833	11.7
71.05765	5.4
71.67058	5.3
76.80280	5.6
78.50040	5.5
79.12729	5.0
98.21770	11.3
169.28714	5.9
174.99271	40.9
199.98845	9.5
217.00285	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	374.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	41.2
57.31867	17.4
59.01367	74.5
70.58149	28.7
71.01392	19.2
73.02979	21.9
73.36869	15.4
83.23705	17.0
85.02967	32.7
87.00902	28.0
100.79756	15.0
119.03381	17.8
123.13312	17.4
125.73740	21.8
151.88930	17.1
191.05598	30.0
288.16129	36.6
330.77075	19.9
357.07782	18.7
374.19812	100.0
375.19958	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35590	6.2
59.01376	100.0
59.33826	6.7
61.98820	20.0
71.01366	14.8
73.02931	14.3
77.70448	6.4
78.52400	6.5
79.78607	6.9
81.03476	8.7
85.02942	19.0
87.00873	13.8
89.02434	8.5
90.96486	6.9
93.03454	36.6
97.02990	11.1
100.61629	6.7
101.02448	7.2
109.02914	8.4
111.04442	7.0
113.02406	9.6
114.05598	29.8
120.99630	29.1
122.03304	9.5
127.04038	9.3
133.02930	14.6
134.03824	8.8
135.04504	20.4
137.02374	10.2
141.20145	7.9
149.02440	15.4
155.10587	6.9
164.04787	21.9
167.08333	8.1
173.04559	35.0
174.99225	20.5
175.80569	8.1
177.01878	8.7
179.03506	11.5
179.07150	28.9
191.05585	88.9
217.00278	85.5
250.06525	7.8
251.11775	7.6
252.07083	7.3
265.07129	27.7
265.57193	11.5
287.06479	7.9
287.56866	7.4
325.01675	6.9
338.19708	19.9
374.06158	9.1
374.10962	25.9
374.22461	12.5
375.20090	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78512	8.5
59.01378	100.0
61.98808	9.4
71.01389	9.7
77.79234	9.5
79.54884	7.7
94.02638	8.9
98.43298	8.6
101.02441	17.2
110.77786	7.8
111.34369	7.8
113.02459	12.0
126.03782	7.5
175.53746	8.5
183.60118	7.7
204.24907	7.7
239.97337	8.3
384.39478	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.0
61.98828	100.0
69.30236	1.7
69.30527	10.2
72.39854	2.0
81.63963	1.7
96.96035	2.9
98.16602	1.8
98.21799	1.9
112.86432	1.6
166.43077	1.7
174.99208	9.4
199.98669	3.2
215.95981	4.2
217.00284	27.7
374.24060	2.4
374.80765	2.5
374.99121	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64008	0.9
57.61602	0.8
59.01368	4.3
61.98831	100.0
70.71765	1.1
70.72098	1.0
78.77151	0.8
84.00309	1.0
106.32431	1.1
146.81186	0.8
148.80714	0.9
152.78778	0.9
154.53748	0.9
174.99211	1.7
183.81110	0.9
202.77286	0.9
217.00247	4.4
357.18460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83700	1.9
59.01373	16.4
61.98830	100.0
69.24201	3.3
69.24585	5.8
95.09158	1.5
123.40040	1.6
174.99231	6.4
199.98775	2.5
215.95949	3.1
217.00302	18.1
241.55618	1.9
374.99335	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.8
61.98826	100.0
69.76794	2.8
75.47257	0.8
78.82371	0.9
103.60637	0.8
123.11263	0.9
130.88998	0.9
307.49982	0.9
315.19318	1.1
394.04596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.4
59.87769	0.9
60.75723	0.9
61.98826	100.0
65.00398	0.9
67.53033	1.0
71.34534	0.8
80.77305	0.9
87.93732	0.9
95.05050	1.9
99.97891	1.0
104.07702	0.8
121.54446	0.9
130.71796	0.9
174.99263	1.5
217.00211	5.1
246.12283	1.5
278.11298	3.3
293.21320	4.9
315.19351	1.3
375.21442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10735	0.3
59.01376	4.7
61.68605	0.3
61.98832	1.9
63.13100	0.3
65.82926	0.3
70.43919	0.9
71.19122	0.4
74.19572	0.3
101.06081	1.0
120.04236	0.3
121.48837	0.3
131.77473	0.3
174.99245	1.3
189.10406	0.4
215.96030	0.8
217.00323	5.2
221.19930	0.4
232.10912	9.7
233.11282	0.8
289.18045	1.6
290.18713	2.5
316.16623	1.4
358.21201	0.9
369.04572	0.4
374.24472	100.0
375.24808	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	374.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16549	0.4
56.76465	0.3
59.01378	76.8
60.01716	0.7
61.98835	0.8
73.07340	0.4
78.48047	0.3
90.97132	0.4
114.98916	0.4
132.07208	0.3
132.98193	2.7
156.99878	0.8
157.03625	0.4
174.99242	29.3
201.02547	5.8
202.02605	0.4
217.00290	100.0
218.00652	3.2
232.97452	0.8
233.52086	0.4
314.88153	0.4
314.98849	0.4
332.98175	0.5
374.99207	6.9
375.99597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21743	0.4
59.01376	73.3
60.01715	1.1
61.98827	1.3
69.80017	0.4
70.09217	0.9
70.46791	0.4
71.01379	0.6
75.00870	0.5
80.19048	0.4
82.95423	0.5
85.42151	0.4
87.00870	0.4
88.49885	0.3
89.02433	0.6
90.97137	0.6
98.21892	0.5
101.02470	0.4
113.02402	0.4
118.96629	0.7
121.05912	0.4
132.98209	2.1
137.02444	0.6
141.00438	0.9
153.01662	0.4
159.90608	0.3
165.05521	0.7
174.99239	32.4
175.99644	0.6
191.05765	0.5
195.02728	1.1
211.78725	0.4
217.00296	100.0
218.00616	3.5
255.03448	0.4
282.80701	0.4
285.07571	0.5
374.99130	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	375.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01374	3.1
60.33409	0.4
70.06083	0.3
71.01384	1.0
81.03453	0.8
85.02963	1.3
87.00874	4.1
93.03453	2.8
96.58796	0.3
107.05009	0.6
109.02930	0.4
111.04515	0.8
112.84598	0.3
113.02498	0.5
115.00315	0.5
117.03491	0.5
121.02946	0.5
123.04515	0.4
127.00153	0.5
127.04018	0.7
127.74573	0.4
129.01910	0.5
130.06242	0.5
132.02177	0.4
133.02155	0.2
133.02954	9.4
134.03746	14.4
134.38197	0.4
135.04524	55.7
136.04836	2.2
136.98521	2.2
137.02454	1.4
139.03923	0.4
142.05023	0.5
149.02412	0.4
151.00189	0.5
155.03572	1.0
157.02740	0.8
157.05069	3.0
160.06161	0.6
161.02441	27.8
162.01503	0.3
162.02818	1.2
166.99615	1.3
173.04539	1.1
174.99150	0.3
175.03801	0.6
178.02734	0.9
179.03496	35.2
180.03831	1.4
183.00616	0.4
185.85092	0.3
189.01695	9.9
190.02032	0.5
190.93085	0.3
191.05608	5.5
201.01697	26.0
202.02025	1.2
204.08015	0.4
213.03656	0.7
215.03276	0.8
217.00330	1.2
219.01468	0.5
231.04793	0.9
267.07031	0.5
271.02353	0.3
275.04050	0.3
329.19525	0.4
343.19901	0.3
375.06952	100.0
376.07306	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01705	0.9
61.98834	4.7
66.15250	0.5
66.75425	0.5
69.39864	2.1
71.01384	1.9
73.02937	0.7
82.95415	0.6
85.02948	1.4
85.44978	0.5
87.00932	0.5
98.30108	0.5
101.02417	1.0
103.04047	0.5
113.02458	1.1
120.02184	1.1
123.04459	0.8
132.98215	0.6
135.04546	1.5
136.04094	1.8
138.03241	3.6
153.05566	44.5
154.05908	1.7
161.04529	2.8
165.01915	0.6
168.82408	0.5
174.99231	12.1
179.03493	2.8
180.04370	1.0
191.05653	0.5
194.05969	0.7
195.06625	2.5
201.01727	1.2
217.00282	41.2
218.00729	1.6
258.39697	0.5
279.48785	0.6
344.79880	0.6
346.95444	1.2
374.94785	2.1
374.99240	2.7
375.07068	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39952	1.4
55.01870	2.5
57.03441	4.6
59.01378	92.8
60.01712	2.6
61.98836	7.3
65.56226	1.4
68.29082	1.7
69.03455	87.2
69.08852	5.2
69.09258	4.1
71.01383	37.1
72.99281	2.2
73.02943	3.8
75.00876	2.3
81.03463	5.1
83.01392	2.8
85.02954	10.4
87.00871	8.3
89.02440	32.7
93.03457	4.4
95.01392	2.7
95.05026	37.6
97.02944	2.1
99.00906	1.5
99.04532	11.0
101.02443	15.9
107.05025	12.8
109.06584	2.4
113.02451	50.2
115.94096	1.4
116.81429	1.5
119.03532	14.1
119.05016	9.0
125.06073	5.1
131.07147	1.6
133.02924	4.2
134.03738	8.3
135.04527	25.6
138.03273	1.7
143.03438	2.5
149.06029	1.8
151.07643	18.9
161.02463	11.9
161.04536	4.6
163.04001	2.8
169.08688	29.6
173.04549	2.3
174.99240	4.6
179.03471	17.4
179.05699	3.4
180.03920	1.8
189.01688	4.1
191.05569	8.7
193.05060	1.5
195.06631	3.4
200.99553	5.7
201.01677	9.0
213.07684	100.0
214.07988	3.8
217.00256	15.5
249.06171	2.4
257.46078	1.7
267.07187	5.6
293.12445	4.4
339.07169	2.4
375.00235	2.0
375.06860	42.3
375.12875	71.8
376.07361	2.8
376.13336	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	375.1296
Annotation	Loganate
Peak:m/z	Relative Intensity
55.41187	1.2
57.03448	3.3
58.54007	1.1
59.01378	77.8
61.98832	6.2
67.01907	1.3
69.03456	83.7
69.09091	8.1
70.03793	1.6
71.01388	28.3
72.01747	1.1
72.99334	1.3
73.02951	2.1
81.03444	2.5
83.01385	2.4
84.34395	1.3
85.02972	8.7
87.00881	4.7
89.02447	29.5
90.17241	1.1
93.03463	2.9
95.01383	2.7
95.05029	36.7
97.02955	1.4
99.04510	10.9
101.02438	15.6
107.05019	13.5
109.06593	2.8
113.02449	46.1
119.03504	9.3
121.06536	1.3
125.06087	6.7
133.02930	1.6
133.06573	3.1
134.03789	2.4
135.04515	7.4
143.03452	1.1
151.07652	16.4
161.02409	2.7
161.04543	2.6
169.08708	28.8
174.99251	2.3
179.03491	4.5
179.05569	2.2
182.08157	1.1
189.01762	1.7
191.05656	1.7
195.06686	1.4
201.01782	3.6
213.07681	100.0
214.08026	4.7
216.61713	1.0
217.00294	4.1
349.98605	1.2
375.06982	12.6
375.12918	74.7
376.13315	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	375.1295
Annotation	Vebraside
Peak:m/z	Relative Intensity
52.81174	1.0
53.10249	1.2
57.03447	1.9
58.00588	1.6
59.01377	100.0
60.01710	1.1
61.28333	1.0
61.98828	1.6
67.01894	1.1
69.03453	83.2
70.03762	1.9
70.08205	3.1
71.01379	39.7
73.02933	2.9
75.00867	4.4
81.03470	6.3
83.01387	2.2
85.02947	9.1
87.00881	2.9
89.02443	39.1
93.03465	1.8
95.01369	1.6
95.05023	10.2
97.02881	1.1
99.04506	8.0
99.46458	1.0
99.92582	1.3
101.02440	22.2
102.02831	1.2
105.03471	1.2
107.04998	1.9
111.57384	1.1
113.02449	17.4
116.92864	3.5
119.03501	17.5
121.02958	2.7
121.06594	13.9
123.04502	1.3
125.02454	1.7
125.06043	5.3
131.03474	2.2
136.01689	1.2
139.07613	2.0
143.03485	4.5
149.04625	1.2
151.07639	30.1
152.07964	1.8
161.04597	3.2
169.08694	8.0
173.04572	1.9
174.99347	1.6
177.01915	3.2
179.05635	5.0
191.05630	3.5
195.06618	17.3
201.11328	2.4
217.00317	5.4
242.25578	1.2
375.12949	41.3
376.13293	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	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
59.13983	0.9
70.18273	2.1
85.63612	1.0
85.83459	0.9
93.03448	4.1
98.22638	1.0
99.78321	0.9
101.53078	0.9
105.03468	1.4
108.02219	1.2
109.02969	1.0
121.02941	14.6
122.03745	8.7
125.36686	0.9
132.02130	1.1
133.02887	1.1
134.03633	1.1
135.04485	1.3
136.01669	1.2
138.33955	1.0
146.03731	6.6
147.04440	2.6
148.01678	1.2
149.02440	100.0
150.03227	62.1
151.03589	3.1
161.06071	2.6
164.04785	26.4
165.05563	69.6
166.05890	3.9
174.99236	1.7
179.07115	13.1
180.04266	4.3
192.05872	1.0
195.06624	31.2
196.06906	2.4
201.80203	0.9
208.14891	0.9
217.00314	5.0
250.90538	1.0
265.57224	1.1
268.07285	1.7
269.08258	1.2
283.09796	3.6
297.07785	1.6
297.11227	1.9
312.10013	28.2
313.10416	2.8
327.12350	90.6
328.12631	9.0
353.07104	1.0
375.20224	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87572	0.5
59.01376	6.1
60.38224	0.5
64.56374	0.5
67.26295	0.4
69.44104	0.8
69.44506	1.7
71.01385	0.7
93.03458	1.7
108.02186	2.0
109.02951	29.5
110.03316	0.6
118.97964	0.5
121.02993	3.8
122.03715	0.8
123.04514	0.6
133.02991	0.7
135.04514	0.5
136.01663	39.6
137.02390	1.4
145.02924	2.9
146.03641	0.6
147.04480	2.6
148.05298	1.4
149.02391	0.7
151.04010	40.3
152.04308	1.7
158.03772	2.9
159.04532	2.9
160.05296	3.6
161.02438	0.6
161.06070	1.4
162.06972	0.5
163.04045	0.8
164.04803	0.9
166.02655	1.0
173.04523	1.4
173.06070	1.6
174.03250	0.5
174.99223	1.6
175.04103	0.9
175.07625	3.8
177.05554	1.1
178.06317	1.1
179.03444	0.7
179.07126	0.5
181.05124	1.4
191.05568	0.7
191.07170	0.6
192.07904	0.7
201.01831	0.5
211.07614	0.9
216.05872	0.5
217.00279	5.2
221.05960	1.1
223.07663	0.9
225.05598	0.9
238.06319	0.8
239.07156	7.1
249.05614	1.5
250.06339	3.5
251.06891	0.7
253.24745	0.5
266.05762	1.7
267.06619	48.4
268.06937	4.3
281.08078	0.9
282.08957	49.6
283.06296	0.8
283.09283	4.1
297.11301	100.0
298.11639	10.1
312.09973	2.1
315.12381	20.6
316.12595	2.2
327.12323	7.5
345.13409	7.8
346.13596	0.9
357.13391	4.2
375.06934	0.5
375.20374	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45283	2.2
59.01384	19.2
71.04147	2.2
72.95506	2.1
73.75233	2.2
93.03461	3.0
99.52879	2.1
109.02949	33.3
121.02943	11.1
122.03728	8.5
133.02968	2.3
135.04538	3.4
136.01663	72.0
146.03719	9.0
147.04501	3.3
149.02425	20.7
150.03224	44.5
151.04005	65.2
152.04315	2.6
159.04474	2.8
160.05261	3.5
161.02495	2.6
161.06117	5.4
164.04768	8.4
164.07117	4.6
165.05573	49.1
166.05891	4.4
172.05270	6.1
173.04521	2.3
174.99258	8.0
175.04024	10.1
175.07619	2.7
176.04742	5.6
179.07109	7.0
180.04330	2.4
189.05531	9.5
190.06390	10.4
191.07143	6.8
195.06616	25.7
203.09631	2.1
217.00285	20.6
239.07127	5.3
251.07031	3.6
261.05557	2.0
266.05777	2.3
267.06567	28.7
268.06998	2.1
274.03040	2.2
279.06635	13.2
279.71161	1.8
282.08990	23.0
283.09232	3.0
294.08951	7.9
297.08463	1.9
297.11298	55.6
298.11591	5.5
312.09903	15.6
315.12396	7.4
327.12363	100.0
328.12711	7.7
345.13486	5.7
357.13544	14.8
358.13705	2.8
375.14612	3.1
375.20444	4.6
376.22134	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04837	0.5
55.01875	1.8
55.40605	0.6
57.03443	1.2
59.01379	23.3
60.01689	0.6
64.54399	0.6
69.03456	12.6
71.01385	17.8
71.04359	0.6
73.02941	8.0
83.01391	3.9
84.30977	0.6
85.02953	11.0
86.00094	0.5
87.00880	1.4
89.02442	1.1
93.03503	0.7
95.01389	1.7
98.00117	1.1
99.00856	2.9
99.08224	0.7
101.02443	17.6
108.02203	0.5
111.00870	0.9
113.02450	100.0
114.02782	2.9
116.81053	0.6
125.02430	0.8
129.01952	0.7
131.53110	0.6
143.03465	0.7
151.11292	1.0
159.03032	2.3
161.04565	11.3
191.05690	0.8
195.10262	0.9
198.35590	0.6
209.11841	1.5
217.00304	0.9
251.81293	0.6
261.13412	47.4
262.13818	2.3
299.10617	0.6
312.47916	0.5
315.21649	0.9
333.22836	1.4
375.27505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04837	0.5
55.01875	1.8
55.40605	0.6
57.03443	1.2
59.01379	23.3
60.01689	0.6
64.54399	0.6
69.03456	12.6
71.01385	17.8
71.04359	0.6
73.02941	8.0
83.01391	3.9
84.30977	0.6
85.02953	11.0
86.00094	0.5
87.00880	1.4
89.02442	1.1
93.03503	0.7
95.01389	1.7
98.00117	1.1
99.00856	2.9
99.08224	0.7
101.02443	17.6
108.02203	0.5
111.00870	0.9
113.02450	100.0
114.02782	2.9
116.81053	0.6
125.02430	0.8
129.01952	0.7
131.53110	0.6
143.03465	0.7
151.11292	1.0
159.03032	2.3
161.04565	11.3
191.05690	0.8
195.10262	0.9
198.35590	0.6
209.11841	1.5
217.00304	0.9
251.81293	0.6
261.13412	47.4
262.13818	2.3
299.10617	0.6
312.47916	0.5
315.21649	0.9
333.22836	1.4
375.27505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84185	0.9
59.01377	12.9
61.98823	1.3
69.99568	0.8
71.01380	9.3
80.91687	13.8
95.57320	0.9
98.22717	2.2
99.92571	4.1
115.92014	1.1
119.30707	1.0
164.08377	1.3
174.99292	4.7
177.09309	2.2
190.10016	1.7
192.11546	8.3
205.12317	2.3
209.56467	1.0
216.98370	1.6
217.00311	16.2
218.00682	1.2
218.09406	2.2
220.14677	40.9
221.15463	100.0
222.15869	6.8
229.16040	1.4
231.17645	1.8
236.10533	92.9
237.10962	5.0
256.22379	0.9
293.17572	46.1
294.17987	5.4
318.09604	5.2
319.09631	1.3
321.15439	1.4
358.08710	5.4
374.98941	1.3
375.17883	10.9
376.17700	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	375.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98820	3.2
64.53410	1.1
66.41125	1.2
77.81313	1.1
96.02131	2.2
96.96043	1.2
99.92599	2.4
116.92876	1.9
123.00884	1.6
124.01681	5.9
151.00305	1.2
152.01181	6.8
166.02792	1.7
234.93427	2.4
265.18073	5.3
293.17606	100.0
294.17896	9.4
305.65131	1.2
331.09824	1.1
347.29321	1.1
375.07108	1.5
376.09857	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	375.1812
Annotation	Rhipocephalin
Peak:m/z	Relative Intensity
59.01380	100.0
60.01702	1.3
61.02214	1.0
61.98822	2.9
69.15375	7.6
70.96394	1.3
85.02946	28.1
87.00880	7.2
94.88613	1.0
107.93002	1.5
174.99294	6.9
211.11269	4.7
217.00327	19.2
248.34750	1.0
253.15959	9.2
278.08139	1.5
315.16040	4.4
369.39484	1.3
374.99246	1.7
375.18069	24.8
376.18320	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22754	0.5
59.96706	0.9
74.99078	4.6
93.00107	0.7
101.20261	0.7
113.26674	0.6
118.11035	0.6
131.38229	0.6
136.59976	0.7
143.05333	1.5
149.00903	0.8
159.08455	12.5
161.06384	3.3
191.65866	0.6
192.98119	1.1
209.01259	3.0
217.07178	2.3
261.04227	0.8
275.06015	2.0
277.07437	3.4
289.07516	3.4
291.09097	97.1
292.09229	11.6
357.14014	3.6
359.15347	100.0
360.15527	14.2
375.18417	9.4
376.18573	1.7
377.16574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86644	1.4
59.01384	19.2
61.98838	2.9
69.56821	5.3
97.93148	4.9
102.29678	1.6
114.93422	6.8
128.22816	2.0
206.83116	2.1
277.21722	100.0
278.22116	10.0
293.17697	13.2
375.14822	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	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23736	0.3
55.44135	0.3
57.03423	0.4
59.01367	1.2
69.03434	0.5
72.99296	0.6
73.02966	0.3
80.91664	2.4
83.04991	0.8
96.96008	10.9
97.06582	0.4
97.93127	0.4
98.73682	0.3
99.92585	17.7
100.93341	0.5
109.06548	0.6
113.09689	0.4
115.92074	1.0
116.92856	0.7
125.09713	0.4
135.11798	0.3
139.11301	3.4
153.12830	1.4
190.87794	0.3
191.18056	3.5
219.91978	0.3
224.14154	1.0
245.19107	0.5
247.20624	3.1
275.19919	0.4
291.19763	0.4
293.21207	100.0
294.21524	10.0
308.07330	0.3
315.19324	0.6
375.22055	4.2
376.13446	8.4
376.21143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	43.5
61.98815	6.3
70.39982	3.0
70.58952	8.0
73.69526	3.2
78.55668	3.1
83.36753	3.3
90.62218	3.2
103.35591	3.4
113.09721	17.7
116.40105	3.5
117.52577	3.3
118.00974	3.7
148.44121	3.1
160.08786	3.6
171.10289	5.5
174.99219	10.9
190.57637	3.3
217.00252	35.9
245.55418	3.3
264.30951	3.4
273.47406	3.4
275.20203	8.1
293.17807	6.6
293.21167	83.9
294.21500	4.9
315.19403	100.0
316.04462	3.4
316.19635	9.0
375.07101	6.8
375.21136	7.4
376.25018	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40097	1.1
59.01378	28.4
61.98810	2.3
64.80457	1.1
67.65636	1.1
69.71332	1.1
70.00932	2.9
89.69831	1.0
95.05029	33.5
96.05392	1.2
96.58807	1.1
96.96009	1.4
98.21966	1.6
99.92583	4.7
112.74513	1.0
147.80809	1.1
150.03008	2.6
167.41269	1.3
174.99237	4.4
179.14351	1.5
181.12328	1.2
184.30814	1.1
189.05286	1.2
194.92825	1.1
195.13869	13.3
196.14580	1.9
217.00273	13.5
223.13306	7.2
246.12329	29.4
247.12685	1.5
256.13156	2.8
259.48697	1.1
275.20096	4.3
278.11334	67.1
279.11667	4.4
293.21201	100.0
294.21506	10.1
315.19379	21.2
316.19733	1.5
338.12085	2.9
358.12329	2.7
373.60144	1.2
375.21616	5.4
387.54852	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	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	58.5
61.98827	6.2
70.05490	1.5
70.17458	3.0
75.68318	1.4
86.51565	1.9
95.05035	2.6
99.92580	3.0
121.10223	33.6
129.96581	1.6
152.91777	2.1
171.10269	64.6
172.10634	3.9
174.99323	3.6
183.13882	2.0
185.11871	2.0
194.92914	2.0
207.10031	2.2
217.00256	13.8
231.21089	4.9
275.20129	100.0
276.20459	7.5
278.11371	9.5
290.03751	3.2
293.21222	92.0
294.21533	10.0
297.18301	3.7
315.19412	47.3
316.19644	3.9
333.20224	1.9
359.18372	4.4
374.99417	1.5
375.21448	44.3
375.28906	1.7
376.21640	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	376.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01379	7.0
61.98817	1.0
63.98444	0.8
67.01894	1.5
69.03465	2.0
69.85851	1.8
69.86181	1.1
71.01376	4.7
72.37873	0.7
72.99313	3.6
73.02952	1.6
74.02455	1.8
79.01900	2.0
81.03459	1.9
83.01374	9.4
83.05046	1.5
85.02967	2.3
87.00881	2.6
89.02460	1.8
91.05556	0.9
91.78119	0.8
93.03471	4.8
95.01392	2.1
95.05037	2.1
97.02946	10.6
98.02491	2.8
101.02486	1.8
106.68317	0.8
107.01380	12.4
108.02191	3.0
109.02946	10.2
110.02478	1.8
110.03246	0.9
111.00932	1.2
113.02436	5.2
113.06072	1.4
115.08801	2.1
116.07182	7.7
121.02915	3.9
122.02501	2.8
122.03733	5.3
123.00872	6.1
123.04550	3.1
124.01710	1.3
124.04050	2.7
125.02443	10.4
127.07721	0.8
129.10330	6.1
135.04539	3.5
136.01651	2.1
136.04080	1.8
137.02438	100.0
138.01909	1.4
138.02879	3.6
139.04057	2.8
140.03546	2.6
145.02975	1.4
147.04521	4.3
148.01698	1.6
148.04045	1.2
149.01338	1.1
149.02499	2.4
150.01976	7.3
150.03262	9.7
151.00420	4.4
151.02762	3.7
151.04013	3.4
152.01172	1.6
152.03528	5.9
153.01958	5.6
153.05600	1.5
153.09242	1.2
161.02438	2.0
161.04553	1.3
162.03291	0.8
163.00343	1.0
163.04051	3.1
164.03517	14.9
164.04752	1.4
164.07155	9.9
165.01958	3.7
165.05554	8.6
166.02705	1.8
175.03990	0.8
176.03568	2.7
177.00690	2.0
178.01448	4.8
179.02222	3.4
179.03563	3.6
180.03027	1.3
181.03809	1.6
183.04558	0.8
191.05585	4.5
192.03021	11.1
193.03622	1.7
194.04555	7.7
201.05678	1.6
202.02811	1.4
202.06319	1.8
202.12289	2.0
204.04321	2.1
206.04536	6.6
211.14525	1.1
215.03384	1.6
216.04448	1.0
216.08037	0.9
217.05171	2.2
217.08784	2.8
218.00644	1.6
219.06697	3.1
219.15028	1.3
220.07483	3.0
221.03302	7.0
226.06442	1.2
228.17177	6.2
231.06754	1.0
235.09822	3.5
242.05978	0.8
244.07347	4.7
255.03076	0.9
259.09845	3.3
259.14444	1.3
261.07819	1.1
263.11292	1.7
270.05450	2.2
271.06079	0.9
285.07724	4.8
289.07355	2.1
303.08710	86.0
304.09052	8.3
316.08188	7.9
330.09906	1.4
341.06848	1.2
341.10992	3.1
358.09320	9.7
358.19653	1.1
359.09732	1.5
375.20209	3.7
376.22412	30.6
376.63354	1.3
377.08893	3.6
377.14557	4.6
377.22015	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	376.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
60.01748	0.6
61.59473	0.4
61.98561	0.6
61.98817	2.5
70.03014	0.4
71.01386	4.0
73.02995	0.6
73.20620	0.4
84.04602	0.5
85.02975	0.5
87.24589	0.4
89.02434	2.2
94.48143	0.4
97.06661	0.5
101.02464	1.0
108.14832	0.4
110.02520	0.8
112.28782	0.4
113.02480	1.0
113.09787	0.4
119.03548	0.6
121.06647	0.8
122.09811	1.1
135.04524	6.7
138.09300	1.4
143.02042	0.4
147.08269	0.7
158.86111	0.5
161.04570	0.9
167.14464	1.2
176.14438	0.5
177.16563	1.7
178.12404	0.4
178.16023	1.2
179.03525	1.4
179.05804	0.5
194.15553	0.9
214.16190	0.5
217.00371	0.9
218.00642	1.0
232.17044	7.4
232.38177	0.4
250.18105	15.0
251.18480	1.7
276.16064	3.7
288.14539	3.3
294.17090	100.0
295.14331	0.8
295.17416	9.4
316.14270	1.4
334.15118	4.8
335.15393	0.6
341.08710	0.4
341.10873	0.5
348.16586	1.2
376.16507	15.2
377.08899	3.0
377.14697	2.4
387.78174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65584	3.9
59.01379	100.0
61.98833	6.4
71.01375	13.7
71.43925	3.5
73.02942	5.4
83.01406	3.3
85.02947	5.3
87.87730	4.2
89.02429	4.6
93.03442	3.4
101.02461	14.8
113.02467	6.0
130.41838	3.3
156.00401	3.4
161.04520	6.3
203.40787	3.9
250.05722	3.5
335.20773	12.1
380.63437	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	376.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.6
59.01377	100.0
61.98829	16.0
96.96005	12.7
98.21902	33.3
99.92536	10.9
101.02449	16.2
103.79108	11.0
202.99350	10.9
268.02347	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	376.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11296	10.2
56.82598	10.6
59.01379	100.0
71.01390	12.9
101.02455	12.9
102.98595	15.2
214.71352	10.7
287.61087	10.3
300.71704	10.2
317.29648	13.6
398.84631	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	376.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53324	2.0
59.01125	2.3
59.01383	33.0
61.98830	100.0
70.97076	4.0
72.05655	2.5
74.40846	2.7
79.25426	2.1
79.31198	2.0
79.77663	2.3
85.55477	2.0
91.11184	2.2
96.19053	2.2
99.33131	2.1
101.45103	2.3
113.80608	2.1
118.99824	2.4
119.41617	2.2
157.37195	2.3
165.70424	2.3
217.00191	3.7
218.00706	4.0
233.11525	5.0
296.83304	2.3
303.92743	2.3
341.11023	5.8
361.40796	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87148	0.7
57.77468	0.7
58.85658	0.8
59.01377	100.0
60.01701	1.7
61.98823	2.0
69.80979	1.5
69.81324	2.5
73.03736	0.7
96.96027	1.0
99.92583	1.4
104.06522	0.9
116.92841	1.6
118.89976	21.2
119.89985	1.5
134.89452	1.0
135.90205	0.9
159.02583	0.7
186.67285	0.7
190.35222	0.7
217.00278	2.0
218.00609	1.7
316.28604	1.3
323.98837	0.9
340.04224	6.1
341.04254	1.2
376.01862	6.0
377.01764	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	377.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	3.9
59.01375	42.2
69.03429	4.2
71.01375	25.9
71.43262	3.6
78.95907	4.2
85.02932	4.0
89.02426	31.4
101.02434	11.0
108.92267	3.4
112.01653	5.9
113.02470	28.4
114.02757	3.7
115.03966	9.2
119.03484	9.7
123.19723	3.4
131.01976	6.6
143.02005	21.2
155.02029	3.8
159.02968	13.3
161.04564	3.4
179.05603	13.4
181.01146	5.6
190.04884	3.5
196.98544	22.7
197.02196	3.9
199.00992	20.3
210.04054	3.8
214.98648	7.0
215.03355	19.2
221.03055	4.2
236.05226	7.9
267.01184	4.4
269.02844	4.6
278.97473	7.4
295.00763	3.8
323.00250	85.8
324.00317	10.6
332.98492	5.6
341.10870	100.0
342.11240	5.3
376.97952	15.8
377.08521	83.5
377.13803	5.8
378.09140	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	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82410	2.9
53.51377	3.4
59.01377	37.9
61.98821	6.9
69.04801	11.0
69.05217	13.8
71.01389	19.0
73.02926	5.8
74.04375	3.1
84.39394	3.5
89.02450	27.9
93.03439	5.2
98.21829	5.3
101.02402	6.9
106.74036	3.8
113.02463	4.0
119.03504	7.8
123.08151	7.8
141.09204	4.4
143.69373	3.7
161.02483	4.1
161.04579	4.1
179.05624	17.6
187.09708	10.5
215.03239	20.3
217.10884	7.6
229.10834	11.9
247.11778	10.1
341.10861	100.0
341.19385	5.3
342.11322	5.1
377.08508	70.7
377.21417	4.5
378.09048	6.7
379.20419	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	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49702	2.7
59.01378	41.4
59.11135	2.8
61.98822	7.1
69.03442	4.3
71.01378	21.1
71.01711	3.9
71.42207	2.7
85.02953	5.9
87.00901	6.1
89.02440	30.4
101.02449	11.6
113.02444	11.8
113.43823	3.1
119.03502	8.6
127.07674	7.1
131.03500	3.4
147.08096	3.6
157.01422	3.5
161.04633	5.0
179.05664	16.5
191.05679	3.2
191.22115	2.6
197.02286	3.9
215.03329	16.8
234.00745	3.4
257.08224	5.1
271.17184	2.9
289.10464	3.2
341.10855	100.0
342.11102	6.8
366.77313	3.4
377.08517	64.8
377.12244	3.2
377.16202	8.8
377.21921	8.9
378.08948	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	377.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20527	2.6
59.01378	40.6
61.98833	7.1
65.43898	3.6
69.03444	4.6
71.01373	24.3
72.99319	6.5
75.00901	5.3
85.02943	5.8
87.00872	7.1
89.02444	37.0
93.03463	5.8
95.01353	3.1
101.02431	13.2
109.06593	16.4
110.37189	3.3
113.02450	11.6
118.06435	2.7
119.03524	14.4
147.04526	4.7
149.02446	7.1
150.03130	4.8
161.04605	4.5
164.07170	11.1
165.05510	3.1
173.04517	4.0
175.26901	3.2
179.03424	3.5
179.05586	14.4
197.02171	4.8
215.03236	21.9
215.10767	8.8
215.12708	3.2
228.17110	6.7
289.10947	3.9
299.11850	6.6
329.13348	6.6
341.10880	100.0
341.15042	6.4
342.11334	6.5
376.22314	11.2
377.08514	68.9
377.13272	4.2
377.18234	2.9
377.22198	28.1
378.08664	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	377.1423
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01374	1.1
61.98822	2.3
62.68584	0.9
70.53542	1.6
75.38621	0.9
84.93874	5.2
91.85672	0.9
96.95996	2.2
99.92584	71.8
100.92611	3.8
100.93362	15.8
115.92069	24.1
116.92861	100.0
117.63228	1.1
117.92867	4.8
175.05898	1.0
265.52756	1.0
277.21582	4.4
279.22437	1.2
293.17581	14.9
295.18088	0.9
308.07153	1.3
320.19788	1.6
341.11053	2.9
359.13275	2.2
373.11063	2.7
377.09647	2.9
377.14206	39.6
378.14529	6.1
391.12149	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	377.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03440	2.9
59.01378	32.5
61.43201	0.7
69.03455	17.5
69.37856	2.3
71.01379	39.5
71.05018	5.7
73.02949	13.0
73.06583	1.5
80.34749	1.0
81.54160	0.8
83.01379	2.9
83.05016	2.4
85.02948	15.9
87.00871	1.5
89.02439	19.0
95.01379	3.1
97.02929	1.0
98.21798	1.5
99.00864	2.4
101.02442	26.9
101.06084	14.3
113.02447	100.0
114.02765	2.0
119.03487	7.6
131.03493	1.6
143.03474	3.0
149.04607	1.3
153.12999	0.8
153.99016	1.1
159.03004	5.1
161.04556	31.5
162.04822	1.4
178.86961	0.8
179.05592	5.9
180.68317	0.9
180.70279	0.8
184.55580	0.8
203.57692	0.8
230.78923	1.0
245.10236	0.8
245.80600	0.9
263.11331	24.4
264.11581	1.5
377.14249	2.2
377.18268	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	377.145
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.87649	1.1
54.92448	1.4
55.75471	1.2
56.59460	1.1
57.03439	5.3
59.01377	39.7
61.98824	2.6
64.53006	1.3
66.11220	1.1
67.01891	1.4
69.03461	1.5
69.25237	7.0
69.87650	1.1
71.01377	35.7
72.99294	7.7
73.02926	3.3
75.00859	24.1
85.02949	34.6
87.00875	12.2
89.02438	10.3
93.00210	1.2
93.03422	2.3
95.01382	9.3
98.47688	1.3
99.00871	13.8
101.02421	2.4
103.00370	4.4
103.31380	1.1
111.04585	1.6
113.02439	49.7
115.00368	4.0
117.01924	4.6
126.07645	1.3
127.07645	38.3
128.07991	1.5
129.01903	3.7
149.04547	1.3
175.02415	4.1
205.07185	3.8
223.08195	2.1
249.06137	39.3
250.06491	2.1
267.07208	74.1
268.07657	3.5
377.14493	100.0
378.14902	9.5
385.16583	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	377.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
55.02141	1.3
57.03435	1.6
59.01376	67.5
69.03452	14.1
70.20354	1.7
70.20679	2.3
71.01383	44.3
72.73171	1.0
73.02946	13.4
78.28972	1.3
79.22765	1.4
83.01389	5.6
83.05040	1.8
85.02943	15.5
87.00883	2.4
89.02444	26.8
94.74667	1.2
95.01398	2.3
97.02948	1.5
98.02483	1.5
99.00896	3.7
100.68028	1.4
101.02442	36.5
113.02450	100.0
114.02798	1.9
119.03497	12.5
122.65576	1.4
125.02438	1.6
126.53664	1.5
133.51158	1.1
138.76076	1.2
143.03477	5.6
145.40984	1.3
149.04543	1.3
159.02983	3.5
161.04555	27.5
179.05664	3.0
191.05617	2.3
193.41432	1.2
198.11349	1.8
215.09264	2.2
216.92294	1.2
239.61775	1.6
263.11328	61.4
264.11737	4.5
303.67877	1.5
317.19720	1.8
377.17786	8.0
377.22150	8.0
378.18277	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	377.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
59.01377	100.0
60.01733	0.7
71.01381	12.0
71.42312	0.7
73.02948	1.8
74.02483	1.4
75.91148	0.7
83.01389	0.7
85.02958	3.0
87.04534	1.8
87.17804	0.6
89.02438	16.4
95.01424	1.0
97.02992	0.7
101.02450	7.5
109.06580	0.8
113.02432	7.3
115.91345	0.6
119.03497	5.6
121.09938	0.6
127.07660	1.1
131.03525	1.0
143.03523	1.4
147.42099	0.6
161.04578	3.0
179.05637	1.9
191.05704	0.8
215.12801	1.0
257.12997	1.9
263.11383	0.8
277.29190	0.6
323.81412	0.7
335.20773	1.1
337.01129	0.8
377.14282	1.5
377.18213	12.8
377.22092	4.3
378.18738	1.8
378.25067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
58.00585	0.6
59.01377	4.5
61.98819	1.2
69.03453	0.8
69.53665	0.5
71.01379	2.2
71.04994	0.3
72.02173	0.3
72.99319	0.4
73.02943	2.1
75.00856	1.8
81.03474	0.5
82.20087	0.3
83.05029	4.4
85.02950	1.0
85.06586	3.1
87.00873	0.3
89.02434	1.6
93.03459	0.6
95.05029	0.4
97.06615	1.4
101.02441	0.6
101.06068	0.3
109.02980	0.4
109.06618	0.3
111.04523	1.2
111.08167	0.3
113.02435	1.1
113.06078	2.1
113.09709	0.8
115.07631	1.0
119.03452	0.5
123.04510	0.6
123.08167	0.8
125.09716	3.2
127.07636	0.3
127.11314	2.3
129.05600	1.8
129.09218	1.1
135.08145	0.3
137.09695	0.4
139.07622	1.4
139.11214	0.3
141.05583	2.0
141.09184	0.8
143.04584	0.3
146.16257	0.2
149.02498	0.4
151.07616	0.3
153.09232	2.0
155.07133	0.8
155.10782	1.5
157.08731	1.9
157.12259	0.3
159.06676	2.0
163.11375	0.4
164.07228	0.5
165.07736	0.3
165.09227	0.8
169.08673	1.6
171.10280	4.9
173.04579	0.3
173.08167	1.0
175.09764	0.7
179.05641	0.3
181.12389	0.5
183.10294	0.8
183.13928	0.3
187.09668	0.3
191.05576	1.0
195.13954	0.3
197.08208	0.8
199.09694	0.5
199.13368	1.6
201.11324	12.7
202.11703	0.8
207.10106	0.3
209.11818	1.0
211.13283	1.5
212.86644	0.3
215.03360	0.6
215.12918	2.1
217.14313	0.7
221.11769	0.3
228.17119	0.3
229.14420	0.7
229.17577	0.4
257.13904	0.5
261.18518	1.4
267.07086	0.4
279.19608	1.2
291.14560	0.4
295.19193	0.4
297.20734	1.8
305.17584	0.8
315.21710	2.5
317.19626	0.9
323.18668	0.8
331.21268	0.4
333.23080	0.8
341.10886	2.7
341.15704	0.4
341.19629	4.3
342.19940	0.4
359.20724	8.5
360.21057	0.9
377.08664	2.2
377.14288	3.9
377.21783	100.0
378.00598	0.3
378.22122	10.1
389.48825	0.4
400.17831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01373	4.2
61.98804	1.2
69.03454	0.9
71.01366	2.1
73.02958	2.3
75.00863	1.3
81.03452	0.6
83.05025	4.4
85.02950	1.5
85.06585	3.2
89.02440	1.2
89.93879	0.5
90.52972	0.5
93.03443	0.5
97.06572	1.6
99.00834	0.6
101.02414	0.8
101.73957	0.5
111.04543	1.0
111.08111	0.7
113.02428	2.4
113.06047	1.8
113.09673	0.5
115.07626	1.2
123.04543	1.1
125.09708	2.2
127.07663	2.5
127.11259	1.8
128.03625	0.5
129.05560	2.2
129.09171	1.3
137.09718	1.0
138.03192	0.7
139.07602	1.4
141.05540	2.1
155.07051	0.6
155.10780	1.2
157.08667	1.9
159.06593	2.0
169.08643	1.6
171.10269	6.0
173.08147	1.5
175.09732	0.8
177.05511	1.0
179.05586	0.6
181.12569	0.6
183.13947	0.5
185.11723	0.6
187.09718	0.7
189.01982	0.6
191.05597	1.3
193.04997	0.8
194.05824	0.7
199.13425	1.8
201.11288	12.4
202.11603	0.6
209.11797	1.8
211.13333	1.2
215.12857	2.2
217.14392	0.9
229.14351	0.7
235.11780	0.6
261.18546	2.0
273.63669	0.5
279.19577	0.8
297.20651	1.2
305.17725	0.9
315.21707	2.5
317.19467	1.6
323.18655	1.6
341.06583	2.1
341.10825	2.9
341.19659	3.1
359.20721	8.8
360.21030	0.6
377.08664	1.8
377.14813	2.8
377.21753	100.0
378.22107	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03455	0.9
59.01379	100.0
59.45331	0.3
60.01715	1.3
61.30198	0.3
61.98873	0.3
66.89584	0.4
69.25833	0.3
69.41636	0.6
69.42045	1.0
71.01382	17.4
72.01714	0.4
73.02946	5.9
75.00874	0.7
83.01388	3.5
83.05785	0.3
85.02950	8.9
87.00888	0.9
89.02438	4.8
95.01379	1.6
97.02955	0.5
98.22620	0.6
99.00880	2.3
101.02441	13.6
113.02450	8.3
119.03509	1.7
122.72732	0.3
125.02428	0.3
127.11318	0.7
127.42162	0.3
143.03517	1.4
159.02977	1.9
161.04564	9.6
173.15443	1.7
317.19666	1.4
335.20731	22.2
336.21109	1.5
353.73560	0.3
377.22144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01378	100.0
60.01708	1.1
61.59675	0.3
61.98828	0.8
71.01385	3.4
73.02952	1.2
73.59642	0.3
75.00878	0.3
79.91211	0.3
83.01405	1.1
85.02946	1.5
87.00871	0.4
93.03465	0.3
99.00900	0.6
100.53976	0.3
101.02434	2.6
102.88806	0.3
113.02470	1.3
161.04614	0.9
191.05652	0.3
316.40674	0.3
333.19373	0.4
335.20837	2.1
336.21515	0.3
377.18243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58278	0.4
55.01859	0.5
57.31113	0.4
59.01379	100.0
60.01717	1.0
69.28159	1.5
69.28553	0.8
71.01384	3.5
73.02962	1.4
81.22531	0.4
83.01397	1.1
85.02969	2.1
89.02448	0.8
99.00868	0.6
101.02448	3.6
113.02477	1.2
113.36918	0.5
125.02383	0.5
161.04631	1.5
223.63760	0.5
317.19928	0.5
335.20770	3.4
349.83832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74022	0.2
55.01877	0.7
57.03439	0.4
59.01377	100.0
60.01711	1.0
62.13741	0.2
65.97793	0.2
69.26090	1.4
70.84011	0.3
71.01375	6.0
72.66522	0.2
73.02950	2.0
83.01389	0.7
85.02949	2.7
89.02444	1.4
89.41684	0.3
95.01405	0.4
99.00906	0.5
101.02441	4.1
113.02440	2.4
119.03525	0.5
119.22097	0.2
135.15215	0.2
159.03003	0.7
161.04541	2.9
173.15506	0.8
179.05701	0.3
213.33246	0.2
297.34579	0.3
317.19705	0.4
335.20697	5.1
336.21136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15785	0.2
53.97380	0.2
54.45335	0.2
55.01876	0.8
57.03444	0.4
57.80845	0.2
59.01377	100.0
60.01711	0.9
69.60687	0.8
71.01382	8.8
73.02948	2.1
83.01380	1.2
85.02943	3.6
89.02445	3.1
95.01398	0.8
99.00912	0.8
101.02440	5.7
101.03089	0.3
110.12416	0.3
113.02439	3.8
119.03563	0.9
120.66759	0.3
143.03548	0.4
148.80354	0.3
159.03073	0.7
161.04543	5.7
161.05814	0.3
173.15488	0.5
178.98766	0.2
179.05774	0.3
317.19876	0.3
335.20724	4.6
336.21310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02416	0.8
59.01373	19.8
59.27514	0.7
60.50246	0.7
61.98816	1.4
66.04433	0.9
69.41477	3.0
73.21038	0.7
86.95305	0.8
98.95039	0.8
99.08082	1.3
99.35252	0.9
125.09736	1.4
127.11375	0.8
171.10255	31.3
172.10638	1.8
183.10222	1.5
191.06915	0.9
209.07835	1.0
249.22302	1.7
265.14838	1.1
277.19141	0.7
277.21710	40.1
278.22086	3.7
295.22760	100.0
296.23120	8.8
316.72372	0.9
317.20950	33.7
318.21359	3.4
361.19962	2.3
377.22983	28.7
378.23251	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74270	0.3
56.54775	0.3
58.94287	0.3
59.01368	1.0
69.63734	0.4
69.64050	1.0
71.01357	0.4
72.99313	0.3
77.64549	0.3
80.91671	2.3
83.05006	0.5
83.93103	0.7
84.93965	0.3
89.02443	0.6
93.70174	0.3
99.92583	19.6
100.93357	0.4
103.87183	0.3
115.92092	1.3
116.92834	0.6
127.11269	1.1
139.11351	0.4
141.12857	8.5
155.14404	3.5
183.62206	0.3
243.10674	0.3
247.20598	0.7
249.22243	8.7
250.22450	1.0
277.21777	1.2
295.22769	100.0
296.23114	10.6
296.26450	0.6
321.08011	0.4
341.10892	1.8
342.59061	0.4
377.08649	1.5
377.23022	5.6
378.15042	11.0
378.23001	0.8
404.14819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.4
59.49117	1.5
61.98812	4.3
62.18530	1.5
64.04505	1.7
71.40484	1.6
73.08543	1.6
77.16927	1.7
84.93892	1.6
95.05015	5.2
96.95959	2.6
98.21848	3.2
99.92580	4.5
102.52663	1.6
113.09727	2.7
116.92826	2.1
193.87715	1.8
195.13892	17.1
246.12390	3.1
270.43155	1.7
277.21701	14.6
278.11322	4.6
295.22766	100.0
296.22971	5.5
317.17883	1.8
317.20956	51.6
318.21286	4.0
338.47971	1.6
341.10822	2.1
360.13965	4.6
361.19888	3.0
377.08896	1.7
377.14655	2.0
377.22998	10.2
378.15018	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	378.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91953	1.2
56.06674	1.2
59.01377	1.8
59.15637	1.2
61.10679	1.2
61.62176	1.1
65.94968	1.3
69.03488	1.4
69.40321	6.3
71.01363	1.3
71.05019	5.2
72.00902	4.1
82.39912	1.2
85.02946	2.0
87.04527	3.7
107.05013	11.1
113.02453	7.4
115.04004	64.9
126.98920	3.4
140.39113	1.2
143.01982	1.8
145.03586	2.8
155.01999	17.5
159.02985	100.0
160.03326	3.0
161.32280	1.1
167.99750	2.0
170.00742	3.2
170.99794	2.6
190.01881	2.1
196.98540	36.7
197.02945	1.3
197.98833	1.4
199.00969	9.1
211.04539	2.0
212.05367	3.3
223.04630	2.9
224.05338	2.8
226.00374	2.1
249.04428	3.3
251.06006	7.8
256.04355	1.8
260.06055	11.7
279.01315	1.8
281.02887	4.3
290.05301	1.5
291.01294	2.0
306.06552	3.5
316.05029	2.7
324.00354	5.2
325.01959	20.3
334.06128	2.6
335.00269	5.7
378.05042	37.3
378.99249	37.6
379.04871	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	378.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28082	0.3
53.10220	0.4
58.62823	0.3
59.01383	2.1
61.98829	100.0
69.96170	0.8
71.01391	1.2
89.02464	1.5
93.07341	0.3
101.02460	0.7
101.73685	0.5
113.02444	0.6
116.05036	0.4
119.03531	0.6
132.04924	0.4
135.04346	0.4
157.95073	0.4
160.65578	0.4
179.05682	0.4
182.68730	0.4
182.70361	0.4
211.11359	0.4
288.05905	0.4
318.11719	0.6
341.10861	1.9
342.11206	2.0
378.08847	1.5
379.08432	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	378.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
59.51701	0.2
61.24465	0.2
61.98832	1.6
70.10155	0.7
95.01387	0.4
96.02165	2.8
96.95996	0.6
111.00862	0.8
111.88448	0.3
113.66059	0.3
116.92809	0.3
121.25662	0.3
123.00885	1.8
124.01656	6.8
142.85013	0.2
151.00415	0.5
152.01149	7.9
165.01927	0.9
166.02708	2.0
184.00140	0.8
195.17496	0.4
211.61232	0.3
211.63184	0.2
221.19305	0.3
265.18060	5.4
266.18448	0.5
293.17566	100.0
294.17892	8.9
294.20517	0.2
327.39221	0.2
348.09796	0.3
369.65082	0.3
378.10104	1.3
378.15182	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.29621	1.2
66.23460	1.2
71.43252	1.3
94.16988	1.2
96.96030	2.0
107.98778	1.2
148.38478	1.3
219.97824	1.7
223.37666	1.3
315.19629	53.3
316.19852	5.0
379.24796	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	378.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93678	3.1
61.98829	100.0
70.35249	6.2
77.41238	2.8
94.45176	3.4
113.82450	3.0
137.98183	3.3
179.07153	3.6
291.22348	3.2
293.17712	4.3
295.66284	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	378.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.7
69.03452	0.8
70.67099	1.5
71.01370	1.8
71.05014	2.2
74.99371	2.7
78.95887	1.4
83.82691	0.9
85.02959	2.3
87.04517	1.8
89.02454	1.8
89.98087	1.5
96.96029	1.2
96.96963	2.3
99.92581	2.2
101.02419	0.8
113.02441	17.5
115.04004	19.9
116.04333	1.3
117.00442	1.1
125.00932	0.8
127.02512	1.3
129.05586	1.1
130.08766	1.5
137.00925	0.7
138.01682	0.9
139.99669	0.9
142.05099	1.0
143.01984	4.7
143.03563	0.8
145.01801	1.2
145.03572	9.1
150.04256	2.4
153.00441	1.8
153.04076	0.9
155.01991	60.2
156.02153	3.8
158.00682	4.5
159.02983	27.7
159.04137	0.6
160.02226	3.5
160.03372	4.1
169.96718	1.7
170.00659	6.2
172.02260	2.1
173.04518	0.8
180.99834	1.0
181.01230	1.1
196.98524	3.9
197.03017	4.9
197.98872	0.9
199.00957	28.3
200.01073	2.5
200.04198	1.0
201.00827	1.2
210.98619	1.3
211.04634	2.0
212.05437	5.2
214.98755	1.2
215.07742	0.9
217.02948	1.1
223.04593	11.8
223.94231	1.1
224.05185	2.2
232.99179	0.8
237.02495	2.2
256.04349	7.9
263.01794	1.1
279.01416	3.7
281.02805	22.1
282.02960	2.6
282.08301	1.4
291.01190	7.0
292.01395	0.8
307.00772	1.8
307.98019	1.6
323.00452	2.8
325.01868	63.4
326.01993	7.4
335.00214	13.9
336.00348	1.5
341.10825	2.8
343.11313	0.9
360.98111	2.6
378.99213	100.0
379.99344	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	379.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70734	1.0
56.54464	1.1
59.01377	15.4
60.99306	15.7
69.03451	3.1
69.34961	4.0
71.01377	11.0
71.05015	1.4
72.01705	2.2
73.02939	3.0
74.02472	2.5
80.04618	1.1
85.02946	6.8
87.00925	1.2
88.98801	100.0
89.02443	12.5
89.93583	1.2
89.99151	1.0
97.02905	2.0
101.02445	6.0
102.98546	1.2
109.02962	3.8
113.02451	19.3
114.02762	4.5
115.02866	1.5
119.03457	2.3
121.64457	1.1
123.04531	2.2
125.02443	2.3
139.04066	1.0
143.03523	1.1
155.10809	1.9
161.04497	3.6
162.04900	1.4
179.05583	4.1
179.75577	1.1
191.05511	2.6
205.05067	1.2
210.24954	1.2
217.10751	2.3
245.08073	2.6
263.11072	1.5
265.09192	2.5
265.12744	3.7
289.07184	17.0
379.23282	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45312	1.0
59.01377	11.5
59.92334	0.9
60.99302	14.2
69.02143	1.0
69.03475	1.3
69.60184	2.2
71.01380	4.3
73.02956	1.1
85.02937	1.7
87.00941	1.2
88.20138	0.9
88.98805	100.0
89.02443	6.4
89.99113	1.1
97.02963	2.1
101.02467	3.0
109.02958	3.6
113.02450	1.9
119.03531	1.9
123.04517	2.3
125.02465	3.7
135.04535	1.6
138.74739	1.0
148.60945	1.0
161.04620	1.6
174.05598	1.0
176.59087	1.1
177.39552	1.0
189.05484	1.4
203.07126	1.5
211.93312	1.0
239.37292	1.1
240.93878	1.0
245.08160	2.2
265.09268	7.5
289.07156	14.8
290.07312	1.8
300.26120	1.1
378.96692	3.0
379.16150	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	379.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71278	2.8
57.03422	3.1
57.76731	2.4
59.01379	100.0
61.98827	33.8
69.03438	2.6
71.01373	44.9
72.99287	7.1
73.02934	5.3
74.99094	8.3
75.00877	13.1
76.41902	2.6
76.88608	2.6
85.02943	28.2
85.06623	4.1
85.90712	2.4
87.00865	11.9
89.02438	41.8
90.85580	2.8
95.01372	7.1
95.05016	3.4
97.02936	4.0
99.00876	9.6
101.02464	26.0
113.02451	38.4
119.03504	16.9
129.05580	66.1
129.06549	3.9
135.04503	21.6
143.03545	3.1
146.08182	7.5
161.04538	9.3
179.03499	4.8
179.05652	4.3
191.05467	2.9
217.10641	3.4
231.05023	3.2
249.06149	24.5
253.81462	3.5
265.09305	27.7
267.07166	12.0
294.17078	9.6
295.17194	4.2
341.10611	12.4
349.66089	2.8
379.08044	7.8
379.12341	84.0
379.16138	39.9
380.15683	13.8
380.20193	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	379.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22416	1.2
57.03444	1.7
58.00591	2.1
59.01376	100.0
61.98835	3.4
69.03458	2.1
69.44924	5.7
71.01380	39.4
72.01685	1.4
72.90378	1.1
73.02953	4.6
83.01398	3.1
85.02940	11.0
87.00874	1.6
88.98813	5.8
89.02442	54.6
90.02789	1.7
95.01395	2.5
95.04990	1.4
99.00858	1.9
101.02434	30.6
103.04001	4.9
113.02446	28.7
114.02815	2.9
119.03500	27.1
125.02461	1.5
130.06657	2.2
131.03545	3.1
135.04521	1.3
143.03525	2.5
149.04541	2.7
161.04575	2.7
161.43008	1.3
168.93213	1.2
174.05597	6.9
179.05637	5.3
191.05606	5.1
200.09503	1.3
206.08208	1.2
217.10680	1.7
247.11789	2.4
248.58527	1.2
265.09262	97.2
266.09601	4.5
335.97681	1.3
379.08197	1.4
379.15891	6.7
379.23315	9.7
380.23297	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	379.158
Annotation	DMH-1
Peak:m/z	Relative Intensity
56.20103	0.4
61.98818	0.6
66.49522	0.5
78.01208	0.4
78.33559	0.4
84.93871	4.8
99.92583	70.4
100.92616	2.6
100.93353	14.0
101.93391	0.5
115.92077	22.4
116.92857	100.0
117.92071	0.6
117.92880	4.8
117.93652	0.9
127.01018	0.6
142.94522	0.5
160.64845	0.4
168.24710	0.4
249.62543	0.5
279.23431	0.9
317.15485	0.7
322.08820	0.6
335.16940	0.9
361.14688	1.6
375.12671	2.1
379.15790	63.4
380.16016	9.0
393.13760	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
57.03449	4.1
58.00598	1.3
59.01377	82.7
60.01680	0.9
60.54141	0.9
61.85754	1.0
61.98823	1.2
69.03468	1.8
70.30186	1.1
71.01381	72.5
72.01693	0.9
72.99300	1.4
73.02943	28.2
75.00864	2.4
79.92343	0.8
81.03408	0.8
83.01379	8.5
85.02949	28.5
87.00871	4.0
89.02444	35.3
95.01402	4.8
97.02942	2.2
99.00889	11.3
99.04524	1.1
99.80004	0.9
101.02439	48.2
103.04001	1.7
103.67730	0.8
113.02451	36.2
114.02802	1.8
115.04019	1.3
117.26664	0.9
119.03494	10.4
125.02415	4.2
129.01956	1.5
129.67001	0.9
131.03510	4.5
135.04526	25.3
136.04909	0.9
143.03499	4.4
149.04550	4.3
159.02983	5.3
161.04556	34.1
162.04898	1.4
179.03517	1.2
179.05566	2.9
181.05170	1.2
188.54462	0.8
191.05594	2.2
233.06639	2.0
237.77553	0.8
247.11855	48.9
248.12210	2.6
265.09274	23.9
265.12134	1.3
266.09592	1.7
283.50992	0.8
297.09793	1.3
303.23035	1.0
319.13901	6.8
330.04977	0.9
341.08780	5.1
342.09415	1.1
379.16086	100.0
380.16403	9.8
385.18686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.24424	0.5
55.01878	1.7
56.29240	0.6
57.03432	1.1
58.00596	1.5
59.01378	100.0
60.01721	1.1
61.98835	1.5
62.22564	0.5
69.03466	1.2
71.01379	53.7
72.01723	1.2
72.99309	1.3
73.02950	14.7
75.00874	1.2
81.03400	0.5
83.01390	2.8
85.02947	10.7
87.00886	2.1
89.02442	87.9
90.02785	1.4
95.01408	2.1
97.02963	1.3
99.00876	15.4
101.02444	35.2
101.49697	0.5
102.02780	1.1
103.04021	1.4
106.24686	0.5
113.02457	18.7
115.03986	0.6
119.02647	0.9
119.03500	16.7
124.01675	0.6
125.02462	2.7
131.03500	15.4
143.03528	4.4
146.19501	0.5
149.04555	40.8
150.04846	1.5
154.01456	3.1
155.10883	0.7
161.04553	5.8
179.05591	9.2
191.05617	10.2
199.09712	1.7
205.84381	0.5
217.10905	2.5
221.06651	2.1
233.06766	1.0
245.12927	1.1
247.11862	4.6
251.07703	3.4
265.09299	5.3
265.12943	1.2
269.66110	0.6
293.08804	1.0
319.14148	0.9
331.11929	0.8
343.10562	0.6
379.16058	33.1
379.23508	2.2
380.16284	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72129	1.8
55.01868	4.1
57.03443	2.5
59.01377	90.7
69.03456	13.3
69.42740	3.0
69.43142	4.7
71.01379	54.6
72.99313	2.0
73.02943	18.6
75.00856	4.3
83.01378	9.3
83.05062	1.9
85.02948	25.0
87.00886	2.0
89.02443	23.8
95.01369	2.1
96.35355	1.9
98.22675	2.1
99.00871	7.2
101.02441	54.6
111.00877	1.9
113.02450	89.2
119.03503	5.5
125.02426	1.7
125.26060	1.7
143.03456	4.2
159.02945	5.8
161.04550	36.6
179.05623	2.0
191.05659	2.4
201.11266	3.6
208.32585	1.6
209.11810	7.3
226.24402	2.2
233.06676	2.0
265.12912	100.0
266.13232	6.2
379.15405	12.1
379.20062	12.0
379.23581	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65130	1.0
55.01875	3.6
57.03442	3.0
59.01077	1.8
59.01378	34.4
61.41868	1.2
69.03447	13.3
69.29253	4.5
71.01379	36.0
72.99290	1.4
73.02941	15.8
74.59149	1.5
83.01394	7.3
85.02947	18.9
87.00847	1.3
89.02441	7.6
95.01380	2.1
97.02950	1.7
99.00889	5.2
99.81999	1.2
101.02438	38.8
103.07655	1.9
109.03732	1.1
111.00932	1.4
113.02449	100.0
114.02792	3.3
116.03636	1.1
119.03500	2.2
125.02402	1.3
126.56268	1.2
143.03540	3.7
159.02983	3.6
161.04549	39.0
171.37611	1.0
188.28423	1.1
188.91930	1.3
217.10811	3.8
265.12912	85.9
266.13190	5.5
285.08804	2.0
379.15768	3.2
379.23486	2.8
380.15756	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
57.03439	7.3
59.01377	90.3
66.78436	1.4
69.03456	7.9
69.28156	8.0
71.01379	56.1
72.99293	2.0
73.02938	21.3
74.90242	1.5
75.00874	6.4
83.01383	7.7
85.02947	25.7
87.00876	2.9
87.04534	2.1
89.02448	23.4
91.03970	1.9
95.01378	5.0
96.11104	1.8
97.02959	2.6
99.00887	6.9
101.02435	53.8
103.07642	1.6
111.00937	2.1
113.02448	49.1
113.03251	2.5
114.02773	1.9
119.03498	9.2
119.73869	1.4
125.02406	1.7
125.06105	1.4
135.04503	2.1
143.03452	2.6
159.03020	7.1
161.04553	41.3
161.05859	3.1
162.04890	2.0
176.03549	1.9
179.05598	2.0
191.05632	3.5
201.11339	8.6
202.28467	1.6
204.33794	1.5
209.11787	16.7
217.14427	3.1
265.12909	100.0
266.13269	5.7
379.15411	3.1
379.19662	25.1
379.23566	3.7
380.20035	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03434	3.2
59.01377	100.0
69.03456	3.0
70.48195	1.0
71.01381	40.0
71.22575	1.0
72.99322	1.7
73.02946	12.5
75.00866	17.7
83.01385	5.3
85.02951	14.6
87.00874	3.2
89.01936	2.2
89.02443	24.8
95.01378	3.5
95.77142	1.1
97.02975	1.9
99.00900	2.9
101.02442	34.9
102.02753	1.1
104.53460	1.1
113.02446	33.6
114.02721	1.6
119.03493	10.8
124.18786	1.2
131.03433	1.7
135.04497	1.9
143.03481	6.2
148.36993	1.2
149.04556	1.4
158.57080	1.3
159.02966	2.8
161.04562	28.5
173.04488	1.6
179.05630	5.0
191.05646	2.9
199.13403	3.5
201.11281	4.5
209.11818	9.2
215.12869	1.2
217.14397	4.6
265.12906	55.8
266.13223	4.4
267.07291	1.4
379.19293	12.1
379.23880	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.4
58.14000	1.0
59.01374	16.3
61.66826	1.1
61.98830	2.5
68.99793	1.1
69.59150	2.9
69.59504	2.0
71.01376	16.4
72.99303	3.1
73.02942	1.5
75.00868	16.5
85.02945	17.6
87.00876	5.7
89.02437	4.7
95.01392	6.0
99.00855	7.8
99.04522	1.1
101.02450	1.4
101.33208	1.2
103.00359	1.6
111.04591	1.3
113.02442	21.0
115.00350	2.2
117.01934	2.1
129.01944	2.6
129.09213	100.0
130.09554	2.8
142.66750	1.0
145.22198	1.0
171.10222	1.6
175.02480	4.3
179.05637	1.3
199.36102	1.4
205.07193	1.3
229.14365	1.4
249.06084	15.8
251.86958	1.1
267.07025	2.1
319.14218	1.3
341.10950	5.4
343.21185	11.8
379.08350	2.9
379.16058	78.9
380.11856	1.5
380.16306	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03446	1.0
59.01377	18.6
67.01886	1.6
68.99827	0.5
69.03463	0.7
69.40570	1.3
71.01376	4.3
72.99321	0.4
73.02934	0.7
77.89565	0.3
83.01376	0.9
85.02950	5.9
86.00108	0.6
87.00854	2.3
88.09868	0.3
89.02441	2.6
95.01383	1.0
99.00901	0.5
100.01629	0.4
101.02448	1.8
103.25793	0.4
108.12318	0.4
111.00867	1.2
112.34636	0.3
113.02448	7.4
115.07648	100.0
116.07961	3.1
119.03510	0.6
127.04030	0.4
127.07619	0.4
129.01912	0.9
135.04539	1.2
139.00395	1.0
143.03525	0.4
179.05745	0.7
189.04047	0.7
205.07164	1.7
231.05113	0.6
263.07663	5.5
264.08163	0.4
264.31723	0.4
279.81427	0.4
281.08841	0.8
301.45914	0.4
337.18790	0.7
347.13339	0.8
379.16031	26.8
380.16455	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27834	0.4
55.01881	1.2
55.88416	0.5
57.03436	1.9
58.00589	0.6
59.01377	16.1
60.51909	0.4
61.98826	0.5
67.01873	0.6
68.99831	1.2
69.03461	0.8
69.29413	1.4
71.01382	13.6
72.99301	3.2
73.02948	1.4
75.00871	15.3
81.03449	0.6
85.02950	18.7
87.00871	6.7
89.02454	4.2
93.03449	0.5
95.01379	5.0
98.21942	0.8
99.00883	8.7
101.02429	0.5
103.00378	2.0
111.00869	1.0
113.02448	22.1
115.00305	2.2
117.01939	3.7
129.01935	1.5
129.09216	100.0
130.09529	2.8
157.01376	0.7
173.04561	0.8
175.02484	2.9
190.72780	0.5
197.21326	0.5
205.07150	1.0
207.05013	0.6
231.05067	2.1
249.06129	16.6
267.07166	3.8
341.10953	1.1
361.14996	2.5
379.16077	81.4
380.16437	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	379.176
Annotation	Hebeirubescensin G
Peak:m/z	Relative Intensity
50.47823	0.5
55.68138	0.5
57.03438	0.9
59.01388	3.5
60.99300	0.8
61.98827	4.3
68.29678	0.6
70.19258	0.5
70.60237	0.8
71.01386	2.2
71.85081	0.6
72.66030	0.6
78.95892	2.2
83.05022	2.5
85.02953	2.5
87.00871	1.0
89.02478	0.7
95.01367	0.6
98.22547	0.7
101.41438	0.6
111.00869	1.2
113.02441	3.5
115.07639	42.7
116.07982	1.3
119.03502	0.6
152.99591	2.3
165.09239	1.0
179.05615	0.7
191.05576	0.6
213.12802	1.2
215.14403	5.0
217.16042	1.8
229.16113	0.8
237.12923	1.7
239.14436	3.6
241.12656	0.6
241.85651	0.6
243.13869	27.1
244.14261	2.8
245.19084	5.4
246.19536	0.7
255.17506	35.4
256.14789	1.6
256.17899	3.9
257.15482	2.6
263.07748	2.5
271.17044	6.2
273.18558	10.0
274.18839	1.1
291.19687	2.1
299.16559	3.1
317.17535	23.9
318.18005	2.3
335.18607	2.0
341.10907	2.3
361.16507	19.8
362.16879	1.7
379.08124	2.6
379.17581	100.0
380.17969	10.0
382.48798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55555	29.0
59.01364	100.0
61.98839	34.3
71.42262	30.2
89.02386	35.6
129.70764	26.5
334.16803	45.9
341.10721	59.5
379.16095	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32500	71.5
70.75193	75.6
71.05166	100.0
72.58025	78.4
79.13601	84.0
91.96381	76.0
92.76253	82.3
97.94140	69.4
182.81352	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64196	2.7
59.01371	6.0
61.98821	3.6
66.62313	2.6
71.41862	2.3
72.25060	2.5
80.02684	3.7
82.27237	2.5
104.97963	2.6
106.04239	5.9
108.02164	32.2
121.02937	4.7
122.03745	10.7
123.04527	61.9
125.09714	23.9
134.03734	57.0
135.04440	4.2
135.28159	2.7
137.09703	8.2
171.10248	7.5
213.11298	6.1
215.12805	3.5
217.00255	3.5
225.05571	11.1
226.99989	3.3
255.10242	100.0
256.10629	8.9
266.10449	3.4
273.11215	3.8
289.17920	3.3
297.09152	3.8
307.19171	17.3
315.10147	8.8
325.20087	4.7
329.08215	3.9
343.24911	27.7
347.12827	9.9
379.15491	59.9
380.15503	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	379.189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41378	11.0
58.30468	10.3
59.01373	45.4
61.98824	29.7
69.26556	26.4
69.26941	24.9
73.74273	11.2
86.18047	12.5
86.23418	12.3
125.09713	52.9
137.09737	11.7
157.18568	10.5
171.10228	39.9
185.11803	25.1
201.11266	46.5
213.11310	97.1
215.12801	11.1
241.96085	11.7
243.12422	11.6
255.10197	26.0
275.95093	11.2
307.19165	19.2
325.20169	31.7
331.78812	11.3
341.10672	13.5
343.21304	26.0
343.24854	100.0
365.66013	12.1
379.08173	16.3
379.15582	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61694	0.5
59.01379	100.0
60.01707	1.1
69.11249	3.1
75.10720	0.5
98.22638	1.1
109.56676	0.5
118.15079	0.5
132.88078	0.5
214.31441	0.5
218.22993	0.6
227.38547	0.5
390.49734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69287	0.4
59.01377	100.0
60.01719	1.5
61.98841	1.1
69.18371	2.9
71.01396	0.9
89.02463	0.7
96.96033	0.7
101.02412	1.0
113.02453	0.8
120.99723	0.7
175.07642	0.6
233.81354	0.4
297.35760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97265	0.3
55.01888	0.7
57.03442	0.9
58.00586	0.3
59.01380	100.0
60.01717	1.2
61.98839	0.7
69.03461	1.0
69.07353	2.5
71.01385	11.4
73.02956	2.6
75.00901	0.7
83.01382	1.7
85.02954	3.8
87.00861	0.9
89.02447	11.1
91.04033	0.8
95.01397	0.6
95.67916	0.4
98.21871	0.6
99.00906	0.8
99.04537	0.6
101.02448	8.8
105.79524	0.3
111.00910	0.5
113.02448	8.3
119.03502	4.0
122.47751	0.3
123.01396	0.3
135.04572	0.4
143.03529	3.0
149.22662	0.3
155.12790	0.4
159.03113	0.4
161.04579	4.5
179.05623	2.3
198.11371	0.4
199.09976	0.3
201.11353	2.8
209.11835	5.1
210.12212	0.4
217.14497	1.5
226.18236	0.4
252.82092	0.4
260.36475	0.4
265.12912	6.4
319.17651	1.4
379.19769	19.0
380.20224	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	379.1973
Annotation	JBIR-57
Peak:m/z	Relative Intensity
50.78552	0.4
50.78828	0.4
55.01874	1.1
57.03446	1.1
59.01380	100.0
60.01710	0.8
61.98842	0.9
69.67780	1.1
69.68140	1.1
71.01382	13.2
72.99312	0.9
73.02939	3.9
74.69460	0.4
75.00875	5.4
77.82079	0.4
83.01403	2.0
83.05035	0.7
85.02953	5.7
87.00889	1.2
89.02443	6.5
91.04025	0.9
93.03512	0.5
95.01405	1.1
97.02938	0.7
99.00877	1.5
101.02451	11.8
113.02454	6.2
115.03957	0.5
119.03502	2.1
130.08801	0.7
135.04530	1.6
143.03554	0.5
150.03247	0.9
159.02994	0.6
161.04550	4.2
165.05586	1.1
179.05663	0.8
191.05630	1.7
199.13385	2.6
201.11273	3.2
209.11844	5.5
217.14488	0.9
265.12888	1.6
282.35098	0.5
295.94730	0.5
319.17868	2.2
335.11517	0.7
361.18634	5.4
379.19672	73.4
379.23361	3.8
380.20044	7.5
380.24454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
59.44676	0.7
60.02729	0.7
61.07298	0.7
61.98842	1.2
69.07962	4.8
74.97765	0.7
80.91677	2.3
94.29451	0.7
97.75774	0.6
98.22655	1.1
99.92588	13.9
115.92142	1.0
116.92884	1.2
123.68429	0.7
138.44928	0.7
179.09618	0.8
243.80420	0.8
244.17769	0.6
249.22235	1.0
251.23817	23.0
252.24155	1.7
279.23288	0.8
297.24344	100.0
298.24649	11.5
341.10507	0.8
357.00418	0.9
379.08661	1.6
379.24643	8.0
380.16644	8.7
380.24646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56389	2.1
59.01378	12.6
61.98829	100.0
69.44152	7.4
71.01351	2.5
77.98713	1.9
84.81418	2.3
124.01699	2.6
125.02422	10.6
152.01155	4.5
197.82710	2.0
204.17699	1.8
217.00395	4.2
261.77438	2.4
289.07111	9.9
317.06653	18.8
342.11142	4.1
380.16534	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	380.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55795	0.6
59.01365	3.9
66.61676	0.6
68.71503	0.7
71.01375	2.4
76.01657	0.6
77.60326	0.6
83.01386	0.7
85.02945	1.1
88.70203	0.6
89.02422	1.1
89.85979	0.6
95.01398	0.6
97.02950	0.7
98.21781	1.3
101.02442	1.2
113.02473	0.7
131.03741	2.1
144.04538	4.3
146.06110	100.0
146.08125	2.8
147.06418	4.3
159.03168	0.6
160.48866	0.6
161.04559	1.2
174.05594	9.2
175.05994	0.7
185.00555	0.6
190.05086	21.1
191.05502	1.4
193.36328	0.5
218.04625	1.1
308.11197	1.3
318.39020	0.7
336.10779	1.8
352.10254	6.5
356.96146	0.7
380.09988	1.2
380.15161	5.1
380.23853	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	380.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.33543	8.2
61.98808	13.5
62.15223	10.4
63.47164	7.8
71.01374	11.9
73.02931	9.2
77.66237	8.4
87.73715	8.9
89.02453	9.3
93.03447	8.3
102.78916	9.9
113.02439	24.2
150.07530	8.2
381.18994	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	380.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	10.3
59.01380	100.0
61.98834	62.3
66.63603	11.6
70.63790	10.5
70.74200	11.3
71.01376	17.1
71.05720	10.0
71.41624	11.2
73.02940	74.0
83.84713	10.4
85.02935	16.0
93.03453	20.3
98.57515	10.8
110.49308	10.4
113.02489	17.6
123.23193	11.1
129.09224	36.3
130.09534	28.2
131.01241	12.3
131.72697	13.7
164.04816	18.1
172.77731	9.8
172.95914	10.1
173.04536	34.4
207.10269	71.4
217.00246	14.5
218.96468	20.6
219.10207	46.3
224.71913	10.7
380.16544	62.3
381.15704	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1559
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.64691	0.5
55.01861	0.7
59.01377	21.6
65.41547	0.5
69.17126	3.1
71.01380	34.9
71.05020	7.5
72.00909	0.8
73.02933	1.6
85.02947	3.3
87.00893	0.9
88.04031	5.0
89.02435	9.3
95.01343	0.6
99.04521	1.8
101.02451	9.1
107.35604	0.6
113.02457	4.8
116.03559	0.8
116.07201	1.3
119.03493	2.9
125.03610	0.5
128.07178	2.4
129.05551	0.7
144.02951	0.6
146.08229	66.9
147.08542	1.5
161.04497	1.6
200.09288	0.9
218.10300	0.7
219.54318	0.6
308.13577	5.4
362.14685	1.3
380.15601	100.0
381.15936	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	380.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23125	0.3
57.18232	0.3
58.06105	0.3
61.98831	100.0
74.90688	0.2
84.00907	4.7
99.92596	1.1
100.92588	0.6
101.92431	0.9
127.52029	0.3
140.67831	0.2
141.12854	2.0
150.88914	0.3
155.14433	1.0
249.22256	2.6
250.22517	0.4
295.22778	18.2
296.23190	2.9
298.23517	0.3
378.00797	0.3
380.15652	1.1
380.20526	20.6
381.20908	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	380.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.5
61.98825	100.0
71.42488	0.3
71.42973	0.4
78.95895	0.7
101.72052	0.3
101.77982	0.3
152.99541	0.9
181.54733	0.3
195.13870	0.4
217.00359	1.2
277.21625	0.5
295.22766	2.6
296.23251	1.1
298.23712	0.6
380.20502	7.4
381.20670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.4
61.98809	1.5
69.21313	5.9
86.06339	1.0
215.96033	1.0
217.00293	7.1
223.42789	1.1
272.42532	1.0
389.54266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	66.7
61.98821	6.8
71.01372	43.3
73.02946	9.4
83.01392	7.4
85.02953	12.0
87.00877	7.3
87.04526	3.0
89.02447	26.2
90.33976	2.6
97.02883	3.0
99.00902	5.1
99.04524	9.6
101.02430	38.7
101.51921	2.6
103.96671	2.9
105.05573	5.2
113.02450	25.7
115.59278	2.6
119.03513	15.1
119.04987	5.5
123.04535	4.2
125.02480	4.4
128.77023	2.6
130.08734	11.0
131.03539	5.3
132.04549	42.5
135.04521	6.8
143.03502	25.0
147.04539	10.1
155.02025	4.4
158.06116	18.8
159.02986	4.1
161.04572	23.3
163.04005	3.8
170.99699	4.0
175.08774	9.7
179.05586	25.5
188.23135	2.8
199.00938	7.0
200.01137	2.6
214.98682	6.4
219.07722	100.0
220.07971	6.8
267.07242	8.8
267.10806	65.5
303.07156	4.4
321.11761	6.9
325.00845	4.6
327.01154	6.5
327.10800	10.6
337.02499	4.0
338.53241	3.0
343.10699	3.4
381.00446	20.9
381.09189	10.5
381.13480	4.8
382.00204	2.8
383.21194	3.0
399.89911	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	381.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53109	2.7
58.99604	17.7
59.01374	15.8
61.98830	23.9
67.01876	2.6
71.09991	4.1
71.15652	2.7
74.99131	4.0
79.95757	3.4
102.77653	2.8
102.97928	5.8
102.98596	100.0
120.99602	2.7
137.74365	2.9
153.02739	3.2
163.00716	6.7
171.10231	8.7
174.99228	4.2
201.11349	3.6
217.00250	21.3
340.89032	3.0
343.21054	3.9
353.74808	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	381.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03455	1.9
59.01378	84.8
61.98830	6.6
69.39692	3.6
69.40091	1.9
71.01381	45.5
72.99315	1.4
73.02948	9.4
83.01370	3.4
85.02946	12.2
87.00875	26.6
89.02446	36.1
90.02773	1.5
91.01877	2.8
95.01383	3.2
96.96008	5.4
98.22665	1.2
99.00864	2.8
100.00404	1.9
100.70669	1.2
101.02438	34.9
105.01936	1.1
105.05558	3.3
108.02140	1.7
113.02444	21.2
119.03517	14.1
119.04982	1.5
123.04501	6.3
124.03890	1.4
131.03523	2.2
132.04530	3.1
134.04718	2.5
135.04526	1.5
137.02467	1.3
142.11821	1.0
143.03499	2.6
145.09810	1.0
146.08221	6.4
147.08517	3.2
152.01193	1.2
158.06099	1.7
161.04555	11.8
163.03984	1.9
167.03441	11.8
179.05629	1.7
191.05644	3.0
197.04660	2.0
206.95474	1.3
217.00307	4.3
219.07785	6.1
267.07187	100.0
267.10779	38.4
268.07532	3.9
268.10608	1.4
321.15317	1.4
337.02417	12.4
380.99210	1.2
381.10391	1.9
381.16046	21.3
382.10480	1.8
382.16061	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	381.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20229	0.3
58.74036	0.3
59.01377	3.4
60.71276	0.3
62.72775	0.3
65.25280	0.3
69.86629	0.3
69.86997	0.9
71.01374	2.3
72.00908	3.8
73.02942	0.7
74.02468	6.6
85.02947	0.6
87.00883	0.5
87.04546	0.6
89.02451	1.5
95.01344	0.3
98.22551	0.4
101.02436	1.8
104.05096	0.5
106.31463	0.3
113.02458	2.0
116.05088	2.1
119.03515	0.7
122.06125	0.5
130.08759	2.1
132.04550	37.9
133.04907	1.6
143.03493	0.7
144.04572	1.9
145.05312	1.3
145.31570	0.3
146.06099	1.2
148.07733	0.4
155.01990	0.4
157.01744	0.7
157.05368	0.3
158.06108	20.4
159.03012	0.5
159.06389	1.0
161.04582	1.4
173.07274	0.3
175.08769	11.3
176.09094	0.5
177.04315	0.7
179.05513	0.4
185.63000	0.3
199.00946	0.5
201.06656	0.5
202.05084	1.9
219.07732	100.0
220.08092	6.0
224.39178	0.3
267.07608	0.4
267.10806	4.0
327.01511	1.8
380.98978	3.0
381.13052	8.8
382.13242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51881	1.6
54.20218	2.0
59.01377	7.9
61.98830	100.0
69.15180	11.4
70.99510	2.1
71.01359	2.2
84.93694	2.1
107.71911	1.7
119.60170	1.9
152.69640	1.8
161.09708	5.3
217.00287	7.2
219.10313	6.7
343.21283	4.6
381.15558	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	381.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74386	0.9
55.01873	2.6
57.03456	1.6
59.01079	2.0
59.01378	39.3
61.98809	1.3
69.03471	1.7
69.45168	2.4
71.01381	33.8
73.02940	10.4
83.01382	5.0
85.02953	14.2
87.00899	1.5
89.02452	15.6
95.01392	1.9
99.00890	2.5
101.02442	31.1
105.05578	5.6
113.02460	20.3
116.63720	0.9
119.03503	8.2
132.04544	2.2
143.03506	3.2
146.88808	0.8
158.06151	1.0
159.02950	2.3
161.04555	21.1
162.05083	1.0
163.03958	1.7
177.01892	1.4
179.05695	1.8
197.04626	1.9
219.07823	5.0
250.02504	1.2
267.10834	100.0
268.11169	6.1
321.15485	1.1
381.13223	1.1
381.17551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38631	1.0
55.01857	3.6
57.03431	2.4
59.01376	53.8
60.01704	1.1
61.96559	0.9
61.98813	1.4
69.03444	1.7
69.35199	3.7
71.01379	43.9
72.99291	1.2
73.02945	11.9
79.28577	1.0
83.01376	5.0
84.51823	0.9
85.02945	16.3
87.00874	1.6
89.02443	22.5
95.01358	3.6
99.00861	3.0
99.03049	0.9
101.02440	42.7
103.04083	1.0
105.05557	7.5
110.34763	1.0
113.02444	26.7
119.03508	9.3
131.07109	1.1
143.03455	3.9
151.82390	1.0
158.78873	1.2
159.02977	2.5
161.03227	1.8
161.04565	31.9
162.04872	1.1
165.07657	1.1
165.23831	0.9
177.01900	1.9
179.05606	3.7
267.10837	100.0
268.11176	6.3
342.02628	1.0
381.13602	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	381.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
59.96714	3.0
60.97509	0.9
61.98829	0.8
68.42580	0.8
70.48531	1.3
74.99067	26.3
75.96204	1.0
91.02206	46.6
92.02122	1.1
93.00130	13.9
93.03452	2.8
94.00109	1.0
107.50739	0.7
143.05322	1.3
159.08463	100.0
160.08664	4.5
161.06400	10.6
202.99771	0.7
208.62843	0.8
217.00224	1.6
239.44980	0.7
365.10980	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	381.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03426	0.5
59.01377	40.6
60.01711	0.4
69.38849	1.2
70.78574	0.3
71.01379	16.9
72.01740	0.4
72.99307	0.5
73.02946	0.5
83.01401	0.7
85.02945	3.1
87.00876	0.4
89.02441	18.2
90.02763	0.3
95.01410	1.3
98.93991	0.3
101.02439	9.2
113.02450	5.3
119.03502	7.3
131.03502	0.8
142.41399	0.3
143.02390	0.3
143.03529	0.7
143.04930	0.5
149.04448	0.3
155.62622	0.3
157.06612	0.7
158.07385	2.1
159.08197	1.3
160.01747	0.3
161.04617	0.6
161.06059	0.6
171.04553	0.5
175.04037	0.5
179.05582	0.6
185.06067	10.2
186.06664	1.0
191.05602	0.4
199.07596	0.7
201.09204	100.0
202.09552	6.0
203.10747	0.4
219.10313	0.3
309.35852	0.3
323.21805	0.3
381.15530	17.1
382.15784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
59.60003	0.3
66.21551	0.2
69.35854	0.5
69.36246	0.8
71.01384	1.9
73.02947	1.0
85.02965	1.6
93.03457	5.0
97.20341	0.3
98.21885	0.3
101.02457	0.8
102.04749	0.6
103.42060	0.3
108.02173	2.8
113.02462	0.9
117.07111	1.2
117.47026	0.3
121.02956	100.0
122.03728	3.7
133.02977	1.5
134.03751	4.6
135.04428	0.4
137.07907	0.3
137.09744	0.3
140.01181	0.6
143.04997	0.5
145.62769	0.3
150.03214	3.4
153.09276	0.3
158.07275	0.3
159.04523	0.3
161.02487	0.4
161.04564	1.9
161.06082	6.7
161.09718	0.3
162.06863	1.8
163.07654	0.4
173.04564	1.1
175.07629	1.1
175.11264	0.4
176.08424	97.2
177.09196	86.0
178.09514	4.6
181.08614	0.4
189.09189	1.2
191.07161	1.5
191.10884	0.5
201.09180	1.1
203.05705	0.4
203.10713	0.5
207.10284	0.5
208.49951	0.3
217.04977	0.3
219.10268	4.4
231.10184	1.5
280.01816	0.4
286.63361	0.3
295.04126	0.4
311.23523	0.3
312.08450	1.0
321.13376	1.1
339.14520	0.8
373.15414	0.3
379.09512	0.3
381.15488	2.1
397.07642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27625	3.1
61.98806	3.8
65.54559	2.9
67.19178	3.3
67.73558	3.5
68.37401	3.3
69.42120	3.2
70.76471	4.0
79.95736	3.9
84.93874	5.7
89.34104	3.2
90.09518	3.1
96.96007	35.1
99.92594	49.4
100.92659	5.4
100.93364	19.0
104.69086	4.1
109.89630	3.1
112.80644	3.5
115.92060	22.4
116.92860	100.0
117.92897	4.5
148.91528	4.0
177.44502	3.8
218.86879	3.6
221.12474	3.3
229.22624	3.4
236.93851	3.5
281.93265	3.5
381.17352	83.0
381.23123	39.0
382.17700	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10019	0.4
57.03458	0.5
58.25539	0.3
59.01376	100.0
60.01722	0.8
61.98847	0.6
62.59883	0.4
71.01376	5.4
73.02950	1.0
82.55212	0.4
83.01371	0.6
85.02945	1.1
87.00864	0.5
89.02441	4.8
90.98283	0.4
93.03458	1.2
94.39949	0.5
101.02426	3.2
113.02458	2.4
116.92873	0.5
119.03520	1.8
119.45693	0.5
135.04518	0.8
136.07721	0.5
159.04460	0.4
161.04547	0.5
173.56841	0.4
175.07695	0.4
179.03571	0.5
185.05994	2.5
186.06772	0.4
191.05627	0.9
201.09196	22.9
202.09595	1.7
219.06639	0.8
219.10349	0.6
219.12308	0.5
263.11313	0.5
285.05234	1.2
321.19077	2.2
381.15558	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10019	0.4
57.03458	0.5
58.25539	0.3
59.01376	100.0
60.01722	0.8
61.98847	0.6
62.59883	0.4
71.01376	5.4
73.02950	1.0
82.55212	0.4
83.01371	0.6
85.02945	1.1
87.00864	0.5
89.02441	4.8
90.98283	0.4
93.03458	1.2
94.39949	0.5
101.02426	3.2
113.02458	2.4
116.92873	0.5
119.03520	1.8
119.45693	0.5
135.04518	0.8
136.07721	0.5
159.04460	0.4
161.04547	0.5
173.56841	0.4
175.07695	0.4
179.03571	0.5
185.05994	2.5
186.06772	0.4
191.05627	0.9
201.09196	22.9
202.09595	1.7
219.06639	0.8
219.10349	0.6
219.12308	0.5
263.11313	0.5
285.05234	1.2
321.19077	2.2
381.15558	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41143	0.3
59.01377	100.0
60.01715	0.6
61.98832	1.3
69.26989	0.5
69.27395	1.3
71.01391	1.0
73.02955	0.4
85.02935	0.7
89.76013	0.4
94.76793	0.3
101.02477	0.9
103.41396	0.3
113.02480	0.8
115.03992	0.4
115.07639	0.4
120.99663	0.8
121.94968	0.4
137.27313	0.3
152.99718	0.4
161.04625	0.6
191.86098	0.4
287.18484	0.3
321.19211	2.1
322.12943	0.5
336.49197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.4
59.64783	1.1
61.98839	1.7
71.01379	1.1
71.42307	1.2
79.54023	0.9
85.31224	1.0
96.95918	1.1
121.02967	4.6
151.02753	30.6
158.44557	1.0
161.96793	1.0
183.01770	4.5
199.08617	1.0
227.91219	1.0
270.07678	14.1
271.07941	1.1
302.10330	100.0
303.10724	8.5
317.33432	1.0
323.09927	1.7
382.06033	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1002
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
53.95187	0.4
59.01374	3.5
61.98816	0.9
69.51414	1.7
71.01009	0.8
71.01381	8.6
73.02927	0.6
73.20090	0.5
88.53211	0.5
92.02552	0.6
98.21796	0.7
99.92581	1.2
101.02460	0.8
107.03641	2.0
113.02409	0.9
115.00365	14.9
116.74771	0.5
119.03609	0.9
134.04724	100.0
135.05074	2.2
135.06734	1.1
146.04649	0.8
148.33495	0.5
160.06248	0.7
162.07848	9.3
188.05779	1.6
190.01361	0.5
206.06816	32.6
207.07121	1.4
250.05766	3.5
266.08948	5.1
295.99402	0.5
324.18106	0.7
364.08899	0.5
382.10016	30.5
383.10223	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	382.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.92068	0.4
70.21046	0.5
70.44903	0.8
70.45244	0.8
84.00906	3.8
99.92584	1.2
100.92594	0.9
101.92428	1.0
104.39455	0.5
107.02805	0.5
113.63253	0.5
116.92827	0.8
118.74579	0.5
145.53165	0.6
186.36978	0.6
251.23820	6.8
252.24084	0.6
277.79510	0.5
297.24332	17.2
298.24640	2.1
382.17343	1.3
382.22086	25.2
383.22247	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	382.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.6
61.98825	3.0
71.01406	6.9
71.05011	2.2
73.02950	6.0
80.96530	2.4
85.02946	3.8
85.06590	6.2
87.00870	3.0
89.02435	4.1
93.03456	5.3
98.21777	3.0
101.02437	3.0
105.05712	1.4
107.11960	1.4
109.26677	1.7
113.02444	4.4
126.42673	1.5
129.05612	3.0
130.94545	1.4
131.03618	1.3
133.02931	3.4
136.01611	1.4
137.02448	1.5
137.06042	1.8
137.89594	1.4
146.03723	2.6
152.35463	1.4
161.04553	4.8
161.05981	1.9
173.04550	11.4
179.05661	1.5
179.07164	1.6
183.10248	1.5
191.05634	3.4
209.06561	1.5
229.46942	1.6
252.07205	1.5
260.16550	5.4
302.21277	3.6
320.22183	9.4
323.09836	9.4
341.10593	2.1
346.20139	4.1
357.13577	3.0
364.21286	20.0
382.14627	3.7
382.22345	100.0
383.22595	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	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09647	0.8
58.29427	0.6
58.67675	0.7
59.01376	100.0
60.01706	0.9
88.44436	0.8
205.16728	0.8
262.61508	0.7
348.71011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79147	0.3
59.01379	7.8
61.98833	1.9
62.68681	0.2
66.44717	0.2
69.12535	0.2
71.01380	1.1
71.46163	0.4
84.93867	4.3
85.02944	0.8
87.00886	0.5
89.02454	0.4
93.03470	0.3
98.95470	0.8
99.92587	12.2
100.92680	0.4
100.93365	9.7
101.02455	0.7
101.93368	0.5
107.04979	0.3
112.98782	0.4
113.02454	1.1
115.92078	9.8
116.92861	100.0
117.92867	5.3
119.05011	0.8
123.00874	1.2
123.04580	0.4
126.94938	3.4
133.02931	0.7
135.04520	1.1
142.94412	0.4
143.05017	0.4
147.08183	0.5
153.93710	0.3
154.06253	0.5
159.03044	0.3
159.08160	1.4
161.02484	4.2
161.04523	0.5
163.04028	0.8
167.03445	0.4
169.93217	0.3
170.93912	6.0
171.94226	0.4
173.04474	0.4
185.02171	0.5
186.93471	0.3
191.05682	0.4
191.95273	0.4
197.92630	0.4
198.93417	1.7
203.07144	0.4
207.94629	1.7
214.92902	3.2
215.92859	0.4
220.08109	0.3
221.04646	0.4
221.08208	3.4
224.20302	0.3
235.94200	0.5
241.97844	0.3
250.96397	0.6
266.96005	3.2
267.96106	0.3
282.95563	0.8
320.97046	0.3
323.09702	1.2
364.95987	1.5
382.97079	4.5
383.97382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11903	1.1
54.86179	0.9
56.43838	1.1
57.03438	1.1
59.01371	25.3
61.12944	1.0
61.98818	4.4
67.33220	1.1
71.01379	16.5
73.02950	1.9
85.02946	17.6
87.00877	2.3
87.04539	3.4
89.02434	8.8
93.03448	1.3
97.74590	1.0
99.00829	1.9
99.92568	5.7
101.02471	6.4
113.02454	9.7
115.03981	2.3
117.00427	3.1
119.03490	1.7
129.01941	1.2
130.08669	1.3
131.03503	4.0
132.04559	2.4
133.04968	1.2
134.04741	2.0
141.04065	1.5
143.01985	4.7
143.03490	1.9
145.03560	3.6
153.00401	7.5
155.02010	4.8
157.01678	1.7
159.01468	5.0
161.04584	6.8
161.05809	1.0
167.02126	1.6
168.06604	1.4
169.03564	11.6
171.01460	9.5
171.98326	1.5
179.02069	1.8
179.03474	1.4
179.05583	1.8
180.06723	1.6
185.03049	27.3
186.03209	2.8
186.99208	4.3
187.04614	92.1
188.04733	6.5
195.01492	4.5
197.03067	8.7
199.00972	3.2
201.00722	3.1
201.02457	2.1
213.02521	4.9
214.98720	3.4
219.07674	2.1
220.07947	1.9
221.08221	3.9
223.00955	8.6
229.00348	1.8
241.02029	100.0
242.02260	8.5
243.96791	1.8
255.01851	1.6
258.99838	2.2
271.00012	1.4
286.99301	4.9
297.03729	1.5
311.02875	1.4
313.00970	1.8
314.98773	3.1
323.01096	36.6
323.09656	12.2
324.01184	6.3
327.02661	1.8
339.02451	1.8
341.00082	2.1
341.10788	3.3
355.01782	6.9
357.03381	4.7
383.01428	39.0
383.11682	1.4
384.01965	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	383.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34372	0.8
54.90117	0.8
56.68961	0.8
57.03439	0.9
59.01374	24.7
71.01387	9.8
73.02913	1.1
77.03986	1.6
83.01367	1.4
85.02953	6.6
87.00871	3.1
89.02439	7.7
93.03448	4.8
95.01394	1.0
95.05016	3.4
99.00882	1.5
99.92566	4.2
100.93351	2.2
101.02442	5.7
105.03458	9.5
106.04232	2.3
107.04971	1.6
111.00858	1.6
111.04497	3.1
113.02443	10.0
115.92070	4.8
116.92850	36.1
117.92835	1.6
119.03458	1.5
122.03754	1.0
123.00871	2.5
123.04447	0.8
124.01658	20.2
127.03983	1.1
129.01924	2.0
133.02954	100.0
134.03246	2.6
135.04509	4.4
137.02422	1.2
139.04010	16.5
143.03471	2.6
143.05016	2.8
147.08183	5.0
150.02148	1.2
150.03233	14.9
151.03787	1.0
155.03462	3.5
157.06598	0.8
159.08150	7.9
161.04553	7.5
165.05571	4.0
170.93872	1.3
173.04541	14.6
177.01906	8.4
177.09209	1.9
179.03539	1.0
179.05565	2.4
189.36246	0.8
191.05569	5.6
191.07112	2.8
194.02248	1.4
203.05417	1.3
203.07111	2.8
209.04535	64.3
210.04810	2.9
221.08180	26.4
222.08469	2.1
233.06567	1.3
282.95532	1.0
323.09818	15.8
341.10703	2.9
382.96829	1.6
383.09335	5.9
383.13739	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	383.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05276	0.8
59.01378	59.1
61.57310	0.9
61.98818	3.0
70.62971	1.5
91.00764	0.9
116.15941	0.9
132.67284	0.8
132.98195	1.5
143.10776	53.2
144.11116	1.5
148.94179	0.9
160.97658	1.4
174.99222	19.6
217.00291	34.8
218.00540	1.0
219.97757	1.1
255.05421	1.2
257.07068	4.0
259.08640	17.1
299.34738	0.9
301.09677	100.0
302.10004	7.1
342.06906	1.1
345.78387	1.0
349.48315	0.9
373.27609	1.0
379.10245	1.2
395.74725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35833	1.5
59.01363	2.5
60.45057	1.7
61.98812	1.9
69.62022	1.7
69.62352	5.8
71.01379	1.9
72.00919	6.9
73.64480	1.3
74.02460	5.6
93.03459	2.5
95.01357	3.0
100.00402	79.1
101.02436	1.9
107.05012	5.4
109.02922	2.6
113.02438	5.2
116.05062	27.8
117.05354	1.9
118.40361	1.7
121.02952	19.1
122.03726	4.1
123.00879	19.7
130.06621	4.2
136.01700	1.5
136.04036	12.7
137.02406	2.8
138.02217	3.2
138.03223	38.3
139.00346	5.3
142.06616	43.3
142.07726	2.3
143.06970	1.8
150.29372	1.4
151.03964	1.6
152.03580	2.0
152.04726	2.0
153.05573	45.8
154.05893	2.8
159.09270	7.7
161.04544	3.6
162.01907	3.3
166.02689	3.5
167.02165	7.3
173.79900	1.8
177.09195	11.0
179.02217	31.3
180.03017	25.0
182.04570	6.5
185.07175	5.4
186.05594	31.7
187.05872	2.0
190.64384	1.6
193.03748	3.0
194.04570	89.6
195.05241	7.0
196.06093	3.0
197.04581	2.6
203.08266	23.4
206.00925	3.3
210.07664	5.7
221.03273	4.8
221.08165	14.9
229.06157	89.9
230.06438	6.7
236.05522	5.1
254.06667	14.5
255.06870	1.6
265.78033	1.9
309.08752	4.2
315.08932	2.0
323.10178	1.9
324.11273	9.3
339.13452	8.4
383.12430	100.0
384.12656	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
57.03433	2.6
59.01376	24.2
69.03457	16.0
69.24098	2.0
69.24514	2.6
71.01379	35.0
73.02942	16.9
83.01382	6.1
85.02947	18.4
87.00856	1.9
89.02438	2.8
95.01369	2.5
97.02932	1.3
98.21880	2.0
99.00857	4.2
101.02443	30.8
107.05024	1.2
113.02446	100.0
114.02773	2.7
135.04546	1.3
136.95869	0.9
143.03493	2.2
144.05421	0.8
159.02966	4.6
161.04547	35.6
162.04845	1.0
173.04459	1.0
191.05496	1.0
248.51735	0.9
267.32190	0.9
269.10281	45.5
270.10654	3.3
328.16837	0.8
354.67545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43112	0.5
59.01372	1.9
61.98830	9.8
68.99808	0.6
69.03441	1.7
71.01364	1.3
79.05539	1.3
80.02678	0.6
81.03448	1.0
85.02966	1.2
89.02446	0.4
91.05532	5.2
93.03444	1.0
95.05027	6.5
97.02926	0.6
97.06584	19.4
98.06886	0.8
99.00883	2.7
101.02409	0.9
103.12280	0.4
107.05020	3.2
109.06592	5.3
110.03742	0.5
112.01665	10.1
113.02461	0.7
119.03500	0.5
123.04529	1.9
125.02462	0.8
125.06076	14.0
135.04518	6.8
137.06078	0.8
138.02200	1.0
138.03226	16.5
139.03918	0.8
144.00629	2.3
153.05571	100.0
154.05891	4.2
156.00626	1.0
179.03506	1.9
197.04546	23.1
198.04803	0.6
203.10806	2.5
212.96071	0.4
221.08261	0.6
221.11835	10.2
222.12126	0.8
241.03748	0.5
277.14322	0.8
295.15570	3.6
321.13428	1.2
339.14456	54.2
340.14816	5.0
383.13477	31.6
383.18607	0.6
384.13940	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	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
61.98825	8.1
69.03451	2.7
69.18799	1.3
69.19203	2.6
71.01370	2.1
75.62997	0.9
79.05540	1.0
85.02945	2.2
89.02465	0.6
90.40500	0.6
91.05541	4.3
93.03436	1.1
95.05039	5.2
97.06581	19.6
99.00288	0.7
99.00861	3.6
99.07816	0.7
101.02424	1.4
107.05015	2.8
109.06573	4.7
112.01665	9.1
123.04531	1.9
125.06097	12.4
135.04512	5.2
138.03218	15.2
139.03984	0.7
139.63808	0.6
144.00636	1.4
153.05565	100.0
154.05894	4.0
162.06831	0.8
164.59094	0.6
167.03525	1.0
171.06650	1.2
179.03516	1.8
191.05577	1.4
197.04526	22.6
203.10785	2.8
221.11795	10.5
265.35617	0.6
277.14453	1.2
295.15625	5.2
295.48849	0.8
339.14444	60.5
340.14844	5.3
383.13437	29.2
383.20895	1.6
384.13852	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	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13547	0.4
54.06113	0.4
57.03440	0.5
59.01382	3.4
61.98832	8.2
69.03443	2.1
69.79075	1.4
70.23333	0.4
71.01363	1.9
73.02945	0.9
73.45444	0.4
74.83698	0.5
85.02969	1.0
90.23662	0.4
93.03461	0.9
101.02451	1.2
103.91920	0.5
106.04248	1.7
107.05029	5.2
113.02454	9.6
117.83553	0.5
119.05058	1.0
121.02928	0.7
133.02940	0.5
134.03732	1.7
135.04562	1.9
135.08182	0.7
144.05862	0.5
147.04506	0.7
159.02934	0.5
159.08165	1.2
161.04507	0.7
175.07639	1.4
176.08473	2.7
177.09206	37.4
178.09535	2.7
179.03548	1.0
189.69180	0.4
203.07129	10.5
204.06779	0.5
221.08180	100.0
222.08524	6.3
383.13437	20.1
384.13660	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34965	0.7
59.01385	5.1
63.38879	0.7
71.01369	2.1
71.41282	0.8
72.00891	1.4
85.02956	1.8
89.02421	1.8
93.03479	1.1
96.59488	0.8
100.00397	9.8
101.02422	2.1
108.02163	1.1
110.56582	0.7
113.02441	2.5
116.05045	2.5
121.02931	2.3
122.03739	23.7
123.00881	2.8
124.01643	2.6
136.01668	8.2
136.04010	0.9
137.02425	1.0
138.03299	4.6
142.06625	5.9
151.31573	0.8
153.05556	6.4
159.09254	0.8
161.04562	1.6
166.02647	0.9
177.09200	52.1
178.09563	3.5
179.02213	4.4
180.03017	3.0
182.98596	1.4
186.05609	3.1
194.04547	10.1
195.05162	1.0
203.08296	2.7
221.08183	100.0
222.08539	5.1
229.06218	10.9
239.01280	0.9
249.01060	0.9
254.06821	1.4
323.09836	2.9
339.13437	1.1
341.10721	1.4
349.05359	0.8
383.08780	6.0
383.13239	33.5
384.13983	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	383.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	62.8
59.64512	2.1
61.98823	4.3
69.23695	9.8
71.01376	41.5
71.02818	1.4
72.00906	9.0
74.02465	17.6
85.02948	5.4
87.00848	2.2
89.02435	72.2
96.75311	1.8
101.02448	12.7
111.98732	1.5
113.02452	17.5
116.05051	41.5
116.92827	3.7
119.03501	11.0
130.06610	4.8
131.03458	2.7
132.03021	1.7
134.04712	8.1
142.06619	13.0
143.03445	3.0
149.04520	2.0
159.09299	11.9
161.04544	4.7
179.05615	17.7
203.08238	100.0
204.08511	6.1
225.06432	4.5
269.97714	1.6
301.05075	3.6
344.38278	1.8
347.89929	1.8
384.16470	1.9
407.18619	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	383.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26719	3.7
59.01371	11.7
59.52992	3.9
61.98825	100.0
69.16711	28.6
123.16674	3.9
224.40363	4.9
242.59532	5.2
269.41403	4.4
284.07266	5.1
326.29956	4.7
375.68912	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	384.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
57.17344	0.5
59.01380	16.5
61.98829	100.0
68.08279	0.5
71.01381	2.9
73.02955	1.5
74.42175	0.5
80.56648	0.4
83.01402	0.5
85.02958	1.4
87.00892	1.1
89.02448	1.1
93.03448	2.7
96.96004	0.6
99.92614	0.7
100.93336	0.7
101.02457	1.9
107.05039	1.4
108.02216	0.6
108.05425	0.6
113.02467	1.7
116.92838	3.4
117.92880	2.6
119.05032	0.9
120.05334	0.5
121.02962	0.8
135.04594	0.7
137.02480	1.9
144.98216	0.5
149.02478	4.3
161.04593	1.4
163.04079	0.8
164.04764	3.7
165.02019	0.5
179.07127	0.9
182.28258	0.5
191.05643	0.7
193.01474	2.0
208.03812	4.5
221.08206	0.9
222.08484	1.3
223.06100	11.0
223.09363	0.8
235.11891	2.8
273.82599	0.5
277.13297	0.9
322.16800	0.5
366.15704	0.7
384.16785	3.1
385.11313	1.0
385.16440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64331	1.6
51.58163	1.7
56.43310	1.9
59.01377	77.8
68.31901	2.0
70.49875	3.3
71.01380	42.2
78.75945	1.7
81.15110	1.8
84.53808	2.0
85.02960	7.8
86.17202	1.9
87.00880	4.2
89.02448	64.4
92.31280	1.7
93.03474	4.8
95.01397	3.5
101.02435	19.8
113.02450	23.5
118.90668	1.9
119.03498	22.3
126.62523	2.4
131.03409	2.2
136.01657	9.5
143.03531	4.3
143.90155	1.9
151.03989	19.9
161.04546	6.9
167.60991	1.9
173.04543	23.6
179.05586	24.3
191.05580	10.1
211.06123	18.4
223.33868	2.1
269.06342	1.9
324.10205	4.5
341.10852	100.0
342.11188	8.3
385.11258	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	384.1814
Annotation	Muramine
Peak:m/z	Relative Intensity
55.01875	3.6
59.01366	1.6
61.98819	0.8
66.52576	0.4
67.20010	0.4
69.48665	1.5
71.01388	0.4
73.92492	0.3
84.02178	0.5
85.02905	0.5
87.00862	0.4
87.17214	0.4
89.02451	0.9
93.03450	0.6
95.01385	2.9
97.02972	0.4
98.31030	0.4
101.80053	0.4
104.26515	0.4
106.06660	0.6
107.05066	0.9
109.02966	0.5
111.00879	1.1
111.04537	0.4
112.01667	8.6
113.02451	1.2
121.06553	0.9
123.04472	1.0
124.01660	2.4
125.02441	2.8
127.00345	0.6
127.04008	11.5
132.04509	0.7
134.06119	3.5
135.04512	0.6
137.02386	0.6
137.06088	1.6
138.03206	0.5
139.00377	13.8
139.04004	12.2
140.00996	0.4
140.04546	0.4
144.00645	3.7
149.06042	0.7
151.04015	0.8
153.05585	1.2
163.07674	2.8
164.04767	0.5
165.05562	4.4
165.09221	0.4
167.03519	2.8
169.05086	0.4
177.09315	0.6
179.07173	0.8
181.05118	0.4
187.07640	1.0
191.05525	0.6
193.01959	0.9
193.08685	1.0
207.06602	1.5
240.07870	0.4
240.11542	1.2
256.13458	0.7
257.11728	0.9
260.31790	0.4
284.07501	1.1
287.95328	0.4
298.14502	0.9
301.10928	0.6
308.16742	1.0
310.14432	1.3
312.15894	0.4
325.16690	0.6
326.13943	7.3
326.20288	0.4
327.14044	0.7
340.15521	0.8
341.10828	1.1
352.15390	0.6
356.18680	1.3
368.14896	0.4
368.67087	0.4
369.15601	1.3
372.21927	0.4
384.18149	100.0
385.18494	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	385.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
61.98827	100.0
65.89469	0.5
66.50510	0.5
68.34176	0.5
70.57668	0.6
74.02485	0.7
74.35911	0.6
78.95927	0.6
88.04028	5.3
96.96004	4.2
96.97001	1.5
107.91233	0.5
115.08793	1.0
119.05029	6.4
125.91051	0.5
129.10382	1.3
132.04541	5.0
137.02403	0.7
160.04034	64.9
161.04402	2.6
163.03999	15.8
164.04478	0.7
188.08635	0.6
191.05647	1.3
192.99681	0.6
322.09302	33.9
323.09738	2.7
385.16080	0.7
385.24548	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	385.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40511	0.5
57.03450	0.7
59.01379	3.4
60.16116	0.4
61.98818	1.6
62.81166	0.4
65.03951	1.1
67.01880	0.8
69.03455	2.1
71.01364	1.9
71.05039	0.6
71.34891	0.4
78.95886	0.7
80.58331	0.4
80.91649	0.8
81.03443	2.8
83.01376	6.3
85.02942	1.5
87.00860	0.4
89.02423	0.6
91.05483	0.5
93.03451	3.4
94.21152	0.4
95.01395	0.9
95.05033	2.8
96.96009	0.5
96.96944	1.0
97.02940	13.2
99.04509	1.4
101.02431	0.6
105.42812	0.4
107.05034	1.4
108.02151	1.8
109.02953	6.8
111.00849	0.5
113.02433	1.2
116.07170	0.5
121.02942	17.8
122.03762	5.8
123.04497	3.3
124.01662	1.3
125.02441	3.4
130.08705	0.4
133.02953	0.6
135.04504	1.3
136.01608	0.4
137.02432	42.6
138.03270	3.5
139.04022	4.3
145.02921	2.6
146.03719	1.0
148.01628	1.5
149.02431	3.6
150.03224	2.2
151.03989	2.1
153.05588	0.9
159.04616	1.0
160.01721	0.4
160.03998	1.0
160.05267	0.7
161.02444	3.7
162.03207	1.0
163.03996	2.5
164.01096	1.1
164.04733	0.9
165.01926	4.9
165.05524	1.3
166.02740	2.3
167.03474	2.7
171.03024	0.5
172.05255	1.0
173.06000	0.7
179.03470	1.7
183.04523	1.3
184.05295	1.0
186.03288	0.8
187.04044	0.7
191.04007	0.4
191.05591	2.3
192.99690	0.4
199.07590	0.8
200.04730	0.5
201.05580	2.9
202.06335	3.0
204.04269	2.8
205.04639	0.5
206.22282	0.4
209.06166	1.0
214.06165	0.4
215.07097	0.6
217.08650	2.9
219.06612	4.1
220.07425	4.5
225.05586	2.2
226.06335	4.2
227.03529	1.0
228.03802	0.5
229.05009	0.5
235.09720	3.6
237.02393	0.6
241.05132	1.9
241.08699	1.7
242.05795	1.1
244.07391	5.1
252.04228	1.0
253.05029	1.3
255.02939	0.5
259.09702	4.1
261.07632	1.3
263.07709	2.3
267.07275	0.8
269.04474	3.1
270.05298	7.5
271.05777	0.6
285.07657	11.0
286.08038	0.9
293.16040	0.5
303.08704	100.0
304.09079	8.2
322.09097	0.8
325.06897	5.3
326.07504	0.5
385.11273	2.6
385.24561	0.7
386.19955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64563	0.5
55.01873	0.6
57.03430	1.1
57.04763	0.5
59.01376	7.6
61.19355	0.5
67.01888	2.0
68.99817	2.8
69.03436	1.2
69.38692	1.9
69.39068	0.9
71.01377	6.8
72.99308	1.1
73.02923	0.7
75.00862	1.6
83.01385	1.7
85.02946	7.2
87.00869	2.6
89.02443	2.0
91.04004	1.5
91.05530	3.9
95.01366	2.1
98.22605	1.0
99.00883	1.4
111.00865	2.3
113.02441	7.7
121.02950	100.0
122.03275	3.8
129.01901	0.6
135.04482	0.5
139.00368	1.2
171.79778	0.5
189.03951	0.7
231.05058	1.6
249.06047	2.6
263.07703	26.0
264.08133	1.1
267.07196	8.4
308.82950	0.5
337.41919	0.6
385.11353	23.4
385.24744	0.8
386.11639	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	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85527	0.4
55.01867	0.4
57.03442	0.9
58.42139	0.3
59.01373	3.6
61.98822	2.7
67.01882	1.7
68.99812	0.6
69.03455	0.4
69.88081	0.9
69.88431	0.5
71.01378	2.6
72.99313	0.8
73.02934	1.0
73.42997	0.4
75.81859	0.4
83.01385	1.7
85.02950	7.4
86.00066	0.4
87.00871	2.4
95.01376	1.8
97.02949	0.4
98.21877	0.3
99.00873	0.5
100.01642	0.5
101.02440	1.1
104.67759	0.3
109.03011	0.4
111.00861	2.8
112.01668	0.4
113.02446	6.1
121.02952	100.0
122.03279	3.1
129.01935	1.0
137.02477	0.6
138.28813	0.4
139.00374	1.2
143.19582	0.5
153.09258	0.4
157.01410	1.3
169.70526	0.4
189.03976	0.9
205.12355	0.4
220.82861	0.3
231.05093	0.5
261.24561	0.4
263.07718	8.9
269.95786	0.4
303.08774	1.4
304.06879	1.5
385.11380	28.0
386.11789	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	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70669	0.7
59.01374	20.0
61.98816	1.7
66.38490	0.6
67.01875	0.7
71.01387	1.2
71.25484	0.7
83.04982	0.5
85.02937	1.3
87.00873	0.8
93.03447	6.4
111.04517	5.0
134.03752	6.7
136.01654	49.8
137.02032	1.9
139.60506	0.6
148.69458	0.6
149.06046	1.8
151.04001	100.0
152.04369	4.4
155.03534	4.6
173.04539	24.3
174.04863	1.3
191.05603	4.5
193.04930	0.7
211.06105	74.6
212.06432	3.1
233.06601	0.9
385.11365	3.9
385.98938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
57.03416	0.8
59.01376	15.6
61.35762	0.8
61.98815	3.0
69.03453	1.5
69.30776	1.6
69.31158	2.2
71.01382	13.4
71.04365	0.8
73.02954	4.1
83.01361	1.4
85.02948	3.9
87.00885	2.7
89.02431	4.0
93.03436	2.2
95.01391	1.2
101.02449	10.8
113.02447	8.9
116.92869	1.2
119.03573	1.7
119.05023	45.0
120.05348	1.6
121.02954	7.2
134.32224	1.0
135.04507	2.5
137.02406	1.1
137.06088	1.1
143.03528	0.9
145.05112	1.1
149.02444	41.3
150.02788	1.0
152.01111	1.8
159.02969	1.5
161.04555	7.3
163.04002	100.0
164.04784	40.0
165.01907	1.4
165.05107	2.6
179.05627	1.5
179.07100	11.8
185.02159	1.1
193.01419	8.9
208.03754	19.9
209.04053	1.1
223.06102	71.2
224.06409	5.3
234.51401	0.9
235.08206	23.7
265.06927	0.8
265.28931	1.0
325.09207	2.0
349.11227	1.9
357.97311	0.8
360.33661	0.8
385.11478	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25004	0.9
55.01873	0.8
55.05573	0.7
55.44360	0.7
57.03451	5.0
59.01376	35.8
61.98824	2.7
63.50910	0.8
67.01882	1.1
68.99819	1.4
69.03461	1.0
71.01382	29.8
72.99302	5.0
73.02943	3.0
75.00868	20.8
83.01376	0.9
85.02950	29.0
85.03474	1.6
87.00872	8.8
88.38131	0.7
89.02444	10.9
91.03983	1.2
91.05533	41.3
92.05862	1.4
93.03471	2.9
95.01382	6.3
98.21774	1.4
99.00873	11.6
99.92664	0.9
101.02451	3.2
103.00372	3.3
111.00873	0.8
112.01711	0.8
113.02449	37.1
114.02780	0.9
115.00372	1.7
116.88227	0.7
117.01933	2.6
117.03452	4.6
119.03493	2.1
121.02956	5.2
129.01964	2.9
131.03473	0.7
135.04529	11.4
137.02466	0.7
143.03482	0.7
149.02444	27.4
149.04405	1.0
150.02776	0.8
152.01160	2.2
157.48889	0.7
163.03957	3.7
164.04781	23.7
165.01877	1.3
165.05032	0.8
169.05045	1.4
175.02429	3.5
179.07129	6.6
193.01411	11.7
193.03229	1.4
205.07173	1.5
207.05093	1.3
208.03757	22.8
209.04234	0.9
223.06107	65.7
223.13321	1.8
224.06514	4.1
231.05016	2.1
249.06131	37.9
250.06511	2.5
267.07196	100.0
268.07407	4.0
385.11346	44.5
385.18433	4.3
386.11652	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03443	4.6
58.28613	0.8
58.91851	0.9
59.01378	34.5
61.98817	4.2
66.03445	0.8
67.01894	1.2
68.99802	1.8
69.03435	1.1
69.24642	3.9
69.25040	1.5
71.01379	31.1
72.99313	4.9
73.02928	2.5
75.00867	19.7
76.12650	0.7
81.03469	0.9
85.02948	28.1
87.00874	11.8
89.02445	10.5
91.05532	43.7
92.05855	0.8
93.03450	1.4
95.01392	7.3
96.95971	0.8
99.00891	12.7
101.02425	2.8
103.00378	2.5
103.87182	0.7
107.73698	0.8
109.02975	0.9
110.02465	1.6
111.00864	1.7
113.02448	35.8
114.02820	1.5
114.60692	0.7
115.00378	1.8
117.01937	3.3
117.03498	4.2
121.02926	1.8
122.07110	0.8
129.01912	1.7
131.03477	0.9
135.04515	9.9
141.01721	0.7
149.02403	1.0
149.04456	0.8
157.01408	1.8
164.03571	1.7
164.04781	0.8
173.04520	0.8
175.02480	2.5
179.10826	0.9
191.05684	2.0
205.07138	1.5
205.12300	1.0
207.05002	1.5
208.03676	0.9
223.06076	1.9
231.05072	2.4
249.06146	35.0
250.06607	1.4
267.07202	100.0
268.07550	5.2
291.96567	0.8
385.11337	40.2
385.18872	1.9
386.11389	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	385.1141
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
52.25004	0.9
55.01873	0.8
55.05573	0.7
55.44360	0.7
57.03451	5.0
59.01376	35.8
61.98824	2.7
63.50910	0.8
67.01882	1.1
68.99819	1.4
69.03461	1.0
71.01382	29.8
72.99302	5.0
73.02943	3.0
75.00868	20.8
83.01376	0.9
85.02950	29.0
85.03474	1.6
87.00872	8.8
88.38131	0.7
89.02444	10.9
91.03983	1.2
91.05533	41.3
92.05862	1.4
93.03471	2.9
95.01382	6.3
98.21774	1.4
99.00873	11.6
99.92664	0.9
101.02451	3.2
103.00372	3.3
111.00873	0.8
112.01711	0.8
113.02449	37.1
114.02780	0.9
115.00372	1.7
116.88227	0.7
117.01933	2.6
117.03452	4.6
119.03493	2.1
121.02956	5.2
129.01964	2.9
131.03473	0.7
135.04529	11.4
137.02466	0.7
143.03482	0.7
149.02444	27.4
149.04405	1.0
150.02776	0.8
152.01160	2.2
157.48889	0.7
163.03957	3.7
164.04781	23.7
165.01877	1.3
165.05032	0.8
169.05045	1.4
175.02429	3.5
179.07129	6.6
193.01411	11.7
193.03229	1.4
205.07173	1.5
207.05093	1.3
208.03757	22.8
209.04234	0.9
223.06107	65.7
223.13321	1.8
224.06514	4.1
231.05016	2.1
249.06131	37.9
250.06511	2.5
267.07196	100.0
268.07407	4.0
385.11346	44.5
385.18433	4.3
386.11652	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	385.114
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.58453	0.9
51.89756	0.8
59.01374	24.2
59.37206	0.9
61.98816	4.1
71.01373	13.5
72.99294	1.1
73.02927	3.2
83.01333	1.3
85.02953	6.3
87.00883	2.2
88.04032	3.1
88.67309	1.0
88.91027	0.9
89.02430	7.7
91.01888	1.1
92.05035	1.1
93.03461	1.5
95.01393	1.0
101.02450	8.3
102.98563	1.6
104.43242	1.0
108.02167	12.8
109.02951	5.8
113.02471	6.3
119.01405	2.7
119.03495	2.7
119.05017	1.2
121.02924	1.8
125.33319	1.0
129.10326	1.1
130.08669	1.0
136.03993	1.4
147.00853	2.9
149.02444	8.6
151.03979	1.2
154.08626	1.3
161.02448	1.1
161.04553	7.4
163.03928	2.0
164.04800	9.4
168.50824	1.0
173.04567	1.6
175.00351	24.6
179.05577	1.3
179.07123	2.1
181.03073	1.1
181.08670	1.2
185.89383	1.0
189.01863	1.2
190.02716	63.5
191.03075	3.6
191.05656	3.2
193.01465	1.3
205.05038	100.0
205.08406	2.8
206.05431	5.7
208.03708	2.7
221.08163	2.6
223.06145	23.9
223.09677	12.6
247.06152	6.6
265.07263	2.3
271.08130	2.2
324.18097	2.4
325.09314	3.1
339.65494	1.1
342.19193	1.4
368.16794	1.1
385.11221	4.5
385.15521	1.8
385.24527	3.0
386.11102	1.6
386.18240	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
59.01383	12.0
67.01884	2.0
68.99811	2.4
69.03448	1.8
69.38253	2.7
71.01384	11.6
71.08073	0.7
72.99287	1.8
73.02937	1.9
75.00880	5.1
75.86147	0.7
78.00648	0.9
80.86766	0.8
83.01374	1.8
85.02458	1.0
85.02956	12.6
87.00890	4.8
89.02427	3.7
91.03992	2.1
91.05534	12.9
95.01384	2.9
96.35532	0.7
96.53236	0.8
97.02941	0.9
99.00881	3.0
101.02419	0.9
103.00328	0.9
110.79936	0.8
111.00883	2.3
113.02451	15.2
117.01959	0.8
120.37885	0.8
121.02956	100.0
122.03314	3.2
129.01933	1.6
135.04518	2.8
139.00365	1.4
157.01396	1.1
160.49586	0.7
189.04045	1.1
198.34663	0.9
211.51158	0.8
231.05203	1.9
249.06165	9.5
263.07709	25.2
264.08069	1.2
266.45743	0.9
267.07214	25.7
268.07510	1.3
281.38138	0.8
320.59558	0.9
355.69745	0.9
385.11377	31.6
386.11697	3.2
402.42035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
59.01383	2.9
63.52875	1.5
65.87596	1.5
69.07693	1.7
69.41309	6.6
93.03455	5.6
119.05037	7.0
131.05072	1.8
132.81111	1.6
133.02919	1.8
140.31676	1.5
147.04510	14.9
161.02512	2.8
162.03217	12.2
165.01920	8.0
167.03548	2.3
175.04001	93.1
176.04773	44.8
177.05241	2.8
183.86316	1.7
189.05688	3.8
190.06364	37.1
194.05830	1.7
204.04266	15.7
208.03752	11.7
210.06862	1.9
217.05075	6.0
218.05786	10.4
219.06610	43.7
220.06937	2.4
221.50014	1.6
222.05324	23.3
237.05656	2.2
238.06372	6.7
250.06216	2.1
254.05864	5.4
265.05099	2.6
266.05869	5.5
267.02997	6.6
277.05136	2.3
278.05853	10.1
279.06265	2.9
281.08151	5.3
282.05353	2.9
283.06247	2.3
294.05206	3.0
297.07639	3.0
303.12424	5.8
305.13763	2.0
306.05344	8.2
307.06055	6.3
309.07666	3.0
310.05060	2.3
311.05536	3.4
321.07587	16.7
322.04938	3.4
322.08356	4.7
325.07193	24.5
326.07874	5.4
335.09161	3.2
336.09946	13.7
337.07162	17.0
337.10931	4.6
340.09299	11.7
341.10297	13.0
342.10852	3.3
347.11212	7.7
349.12701	2.7
352.09503	11.0
355.11771	28.0
357.13461	3.9
367.11890	19.6
385.08704	15.0
385.12982	100.0
386.13223	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
57.80063	0.2
59.01377	100.0
60.01712	1.3
63.08505	0.2
67.31641	0.3
69.03445	0.6
71.01382	2.5
72.99320	0.4
73.02961	0.9
74.65581	0.3
75.00878	1.1
79.72081	0.3
83.01393	0.5
83.97523	0.3
84.05194	0.3
85.02949	2.0
85.37424	0.2
87.00868	0.3
89.02460	0.8
91.05556	0.9
95.01437	0.3
98.22646	0.9
99.00907	0.4
101.02423	1.5
109.03025	0.3
113.02450	5.1
135.04523	5.6
135.81479	0.3
146.30696	0.3
153.09216	0.7
161.04607	0.3
217.71283	0.2
228.83591	0.3
235.11899	2.4
249.06116	3.1
385.11438	2.8
386.11832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.7
57.03440	0.9
59.01377	100.0
60.01711	1.0
69.28618	2.9
71.01379	6.6
72.99302	0.6
73.02953	2.2
73.14052	0.5
75.00877	2.3
82.95428	1.1
85.02950	2.6
87.00894	0.8
88.74194	0.5
89.02444	4.1
95.01387	0.9
97.02999	0.7
101.02480	2.1
113.02419	3.3
116.49369	0.5
119.03521	1.5
135.11874	1.2
136.54990	0.5
138.06918	0.6
139.04053	2.1
151.07660	1.0
152.08487	2.0
153.09215	4.4
154.09592	0.6
161.04582	1.6
161.09769	2.1
179.10745	6.9
179.34006	0.5
205.12387	1.7
223.09740	4.2
223.13315	0.6
260.66034	0.6
309.08887	1.1
385.10672	0.9
385.18646	6.6
394.39172	0.6
409.07086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57324	0.3
59.01379	100.0
60.01720	1.1
69.72668	0.3
71.01388	0.9
71.04996	0.3
73.02947	1.5
85.02950	0.3
89.02440	1.6
94.29305	0.3
101.02439	1.0
105.16390	0.3
113.02492	0.4
117.65168	0.3
188.93988	0.3
191.05612	0.4
215.91183	0.3
223.13397	0.4
231.37440	0.3
385.15192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	0.9
69.56253	1.3
71.01382	1.7
72.99281	0.5
73.02924	0.7
81.47453	0.3
85.02948	1.0
89.02458	0.9
91.05585	0.5
101.02446	1.7
113.02406	1.9
121.02972	0.6
135.04514	1.3
149.02454	2.1
153.09200	0.4
161.04590	0.8
164.04819	1.8
191.05692	0.5
193.01492	1.0
208.03841	1.5
223.06091	4.3
239.97234	0.4
249.06129	1.0
284.96902	0.5
312.51025	0.5
385.18970	0.6
386.87952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95278	5.6
57.42206	5.4
59.01378	62.8
61.98822	28.3
64.56896	5.4
69.63230	19.9
71.01370	28.0
73.02940	14.3
85.02956	10.9
89.02449	18.6
93.03464	16.3
98.21923	10.4
101.02457	11.7
107.04988	8.0
108.02181	12.0
113.02462	18.2
116.28428	5.8
116.92902	6.3
119.05033	46.0
121.02933	7.1
129.55852	6.6
137.02458	20.5
149.02461	9.2
159.03151	5.1
161.04585	7.7
163.04016	100.0
164.04774	9.6
191.05571	10.3
200.35828	5.2
223.06186	24.3
282.13562	7.4
367.30167	6.5
385.11404	15.3
385.16226	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	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95278	5.6
57.42206	5.4
59.01378	62.8
61.98822	28.3
64.56896	5.4
69.63230	19.9
71.01370	28.0
73.02940	14.3
85.02956	10.9
89.02449	18.6
93.03464	16.3
98.21923	10.4
101.02457	11.7
107.04988	8.0
108.02181	12.0
113.02462	18.2
116.28428	5.8
116.92902	6.3
119.05033	46.0
121.02933	7.1
129.55852	6.6
137.02458	20.5
149.02461	9.2
159.03151	5.1
161.04585	7.7
163.04016	100.0
164.04774	9.6
191.05571	10.3
200.35828	5.2
223.06186	24.3
282.13562	7.4
367.30167	6.5
385.11404	15.3
385.16226	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	385.1865
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
55.01874	2.2
56.47086	0.3
57.03445	3.9
58.00588	1.0
59.01377	69.3
60.01708	0.6
61.98831	0.4
67.01875	0.4
69.03456	0.6
71.01379	60.5
71.23975	0.4
72.01714	1.0
72.99314	1.1
73.02943	11.8
75.00869	0.9
81.03484	0.5
83.01382	4.1
83.05033	0.9
85.02947	20.7
87.00862	1.8
89.02440	31.5
90.02756	0.5
93.03458	0.7
95.01385	4.9
95.05042	1.5
97.02946	5.3
99.00873	4.3
101.02438	31.2
102.02792	0.7
105.07108	1.7
107.05026	0.4
108.05846	1.9
109.02985	0.7
109.06564	1.5
111.00925	0.6
111.04518	0.9
111.08167	0.7
113.02444	27.7
113.06068	2.9
114.02789	0.6
115.04018	0.5
119.03500	10.4
121.02954	12.6
121.06583	0.9
122.03831	1.6
123.08178	3.2
124.05328	0.5
125.02444	0.7
125.06086	5.4
129.01958	0.9
131.03508	1.2
135.08136	0.8
136.05301	3.0
137.02441	1.1
137.06076	2.5
137.09724	0.4
138.06866	22.6
139.00412	0.4
139.07654	7.9
140.07962	0.4
143.03494	2.4
147.08162	0.7
149.04561	0.7
149.06126	1.2
151.07645	19.0
152.04904	1.8
152.08424	39.1
153.09207	100.0
154.09547	5.0
159.02988	4.4
161.04552	19.4
161.09766	0.8
162.04869	0.6
163.11293	3.3
164.04779	0.6
165.09184	1.8
167.07138	1.1
175.07657	0.4
179.05638	2.9
187.11285	0.8
189.09216	1.3
190.09952	1.7
205.12317	30.0
206.12616	2.2
223.06119	0.4
223.13374	15.4
224.13754	1.4
263.07693	0.8
267.07336	0.3
325.09055	0.7
385.11328	4.5
385.18689	10.9
386.18835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73910	2.9
53.30253	2.6
56.88016	2.9
59.01370	3.3
61.37436	2.4
61.98820	9.3
78.85566	2.6
115.53371	2.3
121.02930	3.5
123.37038	2.5
124.89433	2.5
131.56126	2.5
140.67865	3.0
167.14384	3.5
167.55756	2.5
195.13911	9.0
293.21240	7.3
311.22308	100.0
311.25928	5.1
312.22656	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	385.2594
Annotation	oscr#25
Peak:m/z	Relative Intensity
57.03430	1.9
59.01374	4.9
61.98835	3.0
63.88707	1.5
71.42518	1.9
72.44733	1.4
116.85105	1.6
120.84238	1.5
174.58379	1.5
249.22232	78.9
250.22565	6.2
267.23242	3.8
293.21225	57.0
294.21478	4.7
311.22278	100.0
312.22632	11.4
332.13840	1.7
385.25919	63.4
386.26450	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	385.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80099	3.3
59.01385	7.8
61.98829	100.0
71.20950	3.9
73.49704	3.4
108.94957	3.5
109.58662	2.9
113.77161	3.2
229.46609	3.8
271.90018	4.0
295.92096	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	385.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50370	34.0
59.01373	80.1
61.98818	100.0
71.43360	46.4
92.92833	52.6
93.17406	36.6
94.92474	50.0
122.37045	37.1
137.56210	36.0
159.08472	43.9
161.08098	43.4
236.48251	38.3
325.18372	40.0
385.06891	40.8
389.65070	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	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82271	10.0
59.01389	100.0
61.98827	30.2
65.62177	10.5
71.01379	23.8
71.43746	12.6
73.01668	11.0
73.02950	31.6
85.02937	15.4
101.02444	13.2
105.38147	12.8
113.02466	20.3
151.67097	10.9
161.04523	12.1
268.79929	10.9
386.16205	33.8
387.08981	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	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.5
61.98822	3.9
70.23425	1.2
71.01384	4.1
72.00898	11.0
87.00864	1.8
89.02449	4.3
91.05524	1.4
93.03413	0.8
98.22454	0.7
101.02445	1.6
103.05605	0.9
113.02426	0.9
119.03472	1.4
125.25291	0.8
135.74402	0.6
136.01614	4.8
137.01968	2.8
147.04514	34.8
147.96584	2.4
148.04886	1.8
151.03999	7.0
152.04335	5.1
164.07153	100.0
165.07526	3.6
173.04514	2.9
174.04878	1.3
177.40724	0.7
179.05545	1.4
191.05492	1.0
211.06116	3.2
212.06477	5.6
223.85628	0.7
290.77304	0.6
341.10779	6.9
386.11588	1.5
387.09686	5.4
389.46786	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.04435	8.6
61.98801	9.8
69.69665	15.3
71.01376	20.1
73.02942	11.7
89.02454	11.3
101.02459	9.0
113.02477	14.1
132.70050	8.5
155.14436	13.3
209.79333	8.9
269.13342	9.0
314.46252	9.9
387.20209	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
58.00587	0.7
59.01376	14.8
61.27702	0.5
61.98803	1.7
62.45634	0.5
67.37452	0.5
71.01376	6.6
73.02944	1.7
75.00878	0.5
84.95110	3.5
85.02939	3.8
87.00877	4.1
89.02443	7.6
90.97127	1.2
101.02445	5.1
109.02988	0.6
113.02440	3.9
115.04057	0.6
118.96597	0.5
119.03506	4.0
121.02937	0.8
132.98187	1.6
137.02454	1.2
138.03133	0.5
143.03503	1.0
149.02422	1.1
152.91731	0.7
158.99765	3.3
160.97661	1.9
161.01364	0.6
161.04543	1.0
174.76527	0.5
174.99223	2.1
177.01929	7.4
178.02573	0.7
179.05571	2.5
184.97668	0.6
185.01204	0.7
186.99248	37.2
187.99576	1.5
191.05588	1.0
192.04280	5.0
195.02991	2.9
200.09190	0.5
201.00812	30.9
201.97968	5.7
202.01175	1.3
203.02351	3.0
207.03325	0.5
207.06638	1.5
210.05251	2.8
213.02519	1.0
214.98773	0.7
217.00296	1.4
225.07663	7.7
229.00282	100.0
230.00655	4.0
248.95995	0.7
274.97723	0.6
300.95364	0.7
314.89310	0.6
325.06766	0.6
341.10947	2.1
344.98297	1.4
351.12790	0.7
353.36136	0.6
386.99200	45.8
387.12949	6.0
387.99588	3.8
388.19836	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	387.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
59.01381	15.5
61.98818	1.1
62.36664	0.5
69.03471	0.5
69.51475	2.0
71.01379	8.2
72.00430	0.4
72.99280	0.7
73.02930	2.5
75.00864	1.9
75.03403	0.4
83.01401	0.8
83.89009	0.5
85.02965	3.6
87.00866	1.3
87.05632	0.9
89.02445	6.6
93.03457	41.6
94.03775	1.2
95.01375	1.4
99.00883	1.4
101.02440	2.9
104.01649	0.4
106.92411	0.4
111.00941	0.7
113.02448	5.8
116.92870	0.8
117.59282	0.4
119.03506	1.6
120.04984	0.4
123.04540	2.5
123.08165	0.6
129.06702	1.1
130.08722	0.9
137.02444	100.0
137.09691	0.6
138.02795	3.9
143.11870	0.6
149.06053	0.4
153.01958	1.3
153.09213	0.7
161.04570	1.7
163.11287	1.3
168.04358	0.9
179.05605	1.1
183.06612	1.0
189.12831	1.1
191.03265	0.5
191.05643	0.6
198.40143	0.5
200.13947	0.5
207.13879	1.5
223.13342	0.5
225.07675	0.7
229.69797	0.4
237.27585	0.4
241.68312	0.5
249.06136	20.1
249.08716	1.1
249.29333	0.4
250.06532	0.7
269.07602	0.5
271.17795	0.6
327.10779	0.6
327.17377	0.5
341.10861	1.7
351.12830	0.5
357.17758	1.7
359.04593	0.6
369.17361	0.7
385.90692	0.5
386.18134	0.5
387.09094	6.2
387.20126	4.0
388.09732	0.6
388.21445	2.8
388.39999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1084
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
59.01385	1.9
65.28015	0.3
66.01754	0.4
68.99813	6.0
69.46489	1.1
86.21512	0.4
90.60451	0.4
93.03487	0.5
101.02460	0.7
108.02175	15.4
109.02937	1.6
119.05013	0.5
121.02946	1.2
122.03733	1.9
123.00871	1.4
123.04523	10.9
132.01346	0.4
132.02171	2.5
133.02931	1.5
134.03740	46.5
135.00880	0.4
135.04088	1.6
136.01646	0.8
137.02431	4.0
137.81126	0.4
138.03207	0.6
139.03998	1.1
147.04500	2.0
148.01720	0.6
148.05247	0.6
149.02386	0.6
149.06085	12.8
150.03236	8.0
151.03859	0.7
153.05563	0.7
159.04587	0.4
160.01649	0.9
161.02470	0.7
162.03232	1.8
163.03969	1.6
165.05582	0.9
174.03201	1.3
177.05579	3.2
178.02713	50.4
179.03043	2.2
186.83749	0.4
189.05566	1.7
192.04285	0.8
193.05051	100.0
194.05402	5.5
217.05031	0.9
233.04532	3.6
245.04565	0.7
263.05637	3.1
298.08255	0.7
313.10773	3.3
341.10892	0.6
343.11758	0.5
357.09872	1.4
387.10840	14.4
387.15860	0.9
388.11136	1.7
388.21466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78288	0.7
59.01366	2.5
61.98819	0.8
69.32560	0.9
70.18630	0.9
71.01386	1.0
71.92274	0.7
85.76231	0.8
87.00867	1.7
88.32233	0.7
95.35481	0.8
98.22585	2.2
101.02336	1.0
104.15578	0.8
115.04176	0.8
121.02942	0.9
133.02966	5.6
134.03741	14.0
137.02478	4.4
139.03944	1.2
150.03140	1.4
161.02460	10.6
165.05568	1.5
178.02742	3.9
181.73322	0.8
193.05057	100.0
194.05331	6.0
194.11784	0.8
207.45786	0.8
256.11087	0.7
287.13910	0.8
350.57486	0.8
387.10831	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	387.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	70.9
68.04327	1.2
71.01378	37.3
73.02952	1.4
83.01391	1.6
85.02937	5.9
85.52410	1.2
87.00842	2.4
89.02441	53.4
97.02977	1.1
101.02438	24.2
113.02454	16.4
119.03510	21.0
123.91670	1.0
127.33869	1.0
131.03513	2.5
143.03503	4.5
149.04573	2.3
161.04543	4.9
163.45508	1.2
179.05585	23.0
191.99892	1.0
341.10849	100.0
342.11224	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	387.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59995	0.7
57.03440	1.4
59.01376	25.7
61.98828	1.2
69.03406	0.9
71.01382	10.9
71.05024	1.3
71.43386	1.0
73.02933	3.4
74.02438	1.1
81.02165	0.8
83.01378	1.3
84.00882	1.0
85.02945	3.2
85.82490	0.9
87.00886	1.0
89.02448	11.9
93.03432	0.9
101.02427	4.9
109.01706	1.5
113.02464	5.0
115.04017	7.0
116.04215	1.4
116.05059	24.3
117.05402	1.4
119.03505	4.8
122.06126	1.6
123.03249	1.9
124.07652	1.4
127.13148	0.8
130.06627	0.9
134.06143	1.2
135.04579	1.1
137.04907	2.1
138.05605	100.0
139.04027	4.0
139.05934	2.9
142.06628	12.5
145.61667	0.8
151.06377	3.1
152.07176	12.9
153.07469	0.9
159.02997	11.2
161.04570	2.3
164.07140	1.4
173.04573	0.9
174.06429	0.8
179.03352	0.9
179.05612	2.8
180.80627	0.9
181.12332	1.7
183.09219	1.3
185.07156	4.2
186.05592	6.3
191.05565	1.0
196.06158	2.4
203.08252	1.2
221.07135	1.0
222.07948	8.0
225.11359	6.1
235.12384	3.3
237.13968	7.5
248.09509	1.8
263.11862	19.1
264.12173	2.5
281.12915	18.1
282.13150	2.2
325.11908	63.6
326.12265	7.9
387.11621	1.0
387.15979	1.1
387.20087	5.2
387.24243	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	387.1296
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.05625	0.8
59.01381	88.7
60.01686	0.9
66.93765	0.8
70.77801	1.1
71.01383	16.2
73.02940	3.0
83.01347	1.4
83.25845	0.8
85.02973	4.2
87.00871	2.1
89.01917	1.6
89.02444	15.5
100.93369	1.7
101.02438	9.7
113.02434	7.6
115.92088	1.9
119.03510	5.8
123.00892	1.2
123.04526	12.1
125.02446	1.2
134.03745	1.9
137.02405	1.4
138.03217	3.0
139.00380	1.3
149.02467	1.6
149.06062	1.8
150.03125	1.1
151.04021	8.6
153.05573	1.9
154.02731	2.2
155.03409	1.0
161.04514	1.5
163.11293	31.9
164.04788	1.2
164.11618	2.0
165.01891	1.9
165.05566	14.8
166.06357	10.8
177.01892	3.3
177.33475	0.9
181.05090	2.0
181.08737	1.8
189.44427	1.0
192.04236	2.9
193.04982	1.2
194.02243	1.4
194.05736	1.1
205.05055	1.7
207.10123	1.1
209.04553	4.1
210.05382	2.5
225.07681	100.0
226.08060	5.8
231.08714	1.8
267.08762	2.1
327.10898	1.2
338.93362	0.9
343.19797	1.3
344.22189	1.8
347.56250	0.9
387.01840	2.5
387.12692	12.8
387.16592	79.0
388.13022	1.4
388.17123	12.1
388.21332	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	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22660	0.8
59.01377	55.3
60.53098	1.0
71.01378	8.8
71.13850	0.8
73.02958	4.3
73.25072	0.9
75.00868	2.0
82.14006	0.9
83.01398	1.1
83.04983	0.7
85.02942	4.4
87.00867	1.3
89.02447	5.8
89.06444	0.8
93.03458	23.2
94.03827	1.0
95.82259	0.9
97.02920	0.9
99.00854	2.2
101.02439	6.1
108.02157	2.3
110.00070	5.2
112.67543	0.8
113.02469	4.7
115.03998	2.4
119.03512	1.7
121.02942	6.2
122.03258	1.3
123.04507	2.4
125.02392	4.2
128.03506	1.4
137.02443	48.5
137.06068	1.7
137.99608	5.3
138.02791	1.1
151.03961	1.3
153.01935	100.0
154.02254	3.5
161.02336	1.3
161.04565	2.3
165.09155	1.3
168.04276	91.2
169.04579	2.8
183.06619	55.6
184.06950	2.4
191.05550	1.4
210.08990	0.9
232.39464	0.9
249.06139	8.2
269.07663	1.3
272.16837	1.2
341.10626	3.1
344.22519	1.7
357.09589	0.9
370.20108	1.2
387.09088	1.8
387.20233	8.8
388.16782	1.1
388.21262	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	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14908	0.1
55.01867	1.4
56.55350	0.1
59.01383	0.9
61.98811	0.2
69.96470	0.3
69.96821	0.2
71.01364	0.4
73.02944	0.2
79.05530	0.4
81.01677	0.1
85.02953	0.3
97.02950	0.2
98.21934	0.2
101.02435	0.2
113.02457	0.2
124.01710	0.1
125.02390	0.1
135.04466	0.2
137.02449	0.2
151.00273	0.2
152.01128	0.4
160.01656	0.2
166.02711	0.2
167.03455	0.4
169.06601	1.4
176.01140	0.2
177.01955	0.3
179.08653	0.8
181.10234	6.5
182.10574	0.4
183.08179	0.2
191.03511	0.2
223.07652	0.4
225.09218	100.0
226.09550	7.1
249.09233	0.2
341.10718	0.2
387.10849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01866	1.3
57.03450	1.7
59.01378	100.0
61.98829	15.8
63.85984	0.8
65.99834	1.2
69.03456	1.3
69.72689	2.6
70.52161	0.8
71.01380	32.7
73.02944	33.1
80.96539	0.8
82.95400	1.5
83.01378	7.8
85.02956	9.7
87.00875	2.1
87.04552	0.8
89.02443	12.3
93.03462	1.8
95.01368	1.9
95.05004	1.0
97.02946	1.0
99.00918	1.5
101.02445	26.4
109.02954	3.3
111.08134	0.9
113.02448	13.5
119.03487	3.3
121.10245	10.0
122.10560	1.0
123.04534	2.3
125.02476	1.3
128.03535	1.5
134.03760	2.0
137.02477	1.9
143.03500	1.9
147.08192	0.9
149.04536	1.3
159.02960	1.2
161.04561	12.2
163.11256	4.1
164.51736	0.8
165.09164	3.7
178.02704	1.3
183.10184	0.8
191.05566	1.7
191.07101	1.1
193.05028	3.6
203.07175	0.9
205.05083	0.8
283.90488	0.8
299.12839	2.0
301.16486	6.9
327.14435	3.0
341.10831	1.0
343.11823	6.7
345.15576	2.7
352.17673	1.2
354.16760	1.0
387.11224	2.5
387.16525	31.4
388.16788	5.0
388.21393	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32994	0.6
55.01868	0.8
57.03447	1.6
59.01377	82.4
60.01699	1.0
60.82503	0.6
61.98824	4.8
69.03471	0.9
71.01380	17.0
72.99310	1.6
73.02939	1.3
73.04073	0.7
74.02493	1.0
75.00871	1.3
77.07866	0.6
78.95901	16.1
79.95737	1.3
80.02805	0.5
83.01395	2.4
85.02940	5.7
87.00851	0.7
89.02438	15.9
93.03455	36.2
94.03812	0.8
95.01385	1.3
96.96009	40.1
96.96963	30.5
96.97591	1.4
97.02971	1.2
99.00843	1.6
101.02439	12.3
109.02954	2.7
113.02448	7.8
119.03499	6.1
121.02988	0.7
123.04552	1.0
125.02423	2.7
137.02437	93.8
138.02785	2.4
142.05098	2.1
146.06110	1.9
158.85258	0.6
160.06122	1.7
161.52742	0.6
163.11317	5.0
173.04617	1.3
179.47040	0.6
191.05556	1.4
200.66206	0.6
203.07137	1.0
205.04985	1.4
206.99710	4.0
207.10245	11.2
221.98505	0.8
245.07997	0.8
249.00775	5.7
249.03522	1.1
249.06129	16.0
259.03000	0.7
277.03799	1.0
283.02826	1.7
289.07184	6.5
301.03860	1.6
327.02365	3.9
343.05026	2.2
345.02942	1.3
357.21509	0.8
359.00800	1.3
387.03806	4.7
387.09021	4.3
387.16571	100.0
388.16830	9.5
388.21304	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	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01875	0.9
59.01379	90.9
60.01737	0.8
61.98820	0.7
65.78818	0.5
69.11671	3.3
69.79106	0.5
71.01383	17.0
73.02954	2.2
76.04511	0.5
78.84355	0.6
83.01409	1.1
84.04556	0.5
85.02947	4.0
85.12344	0.5
86.79189	0.5
87.00893	1.1
88.09283	0.5
89.02444	18.5
95.01398	1.1
95.05054	0.8
101.02445	12.1
101.03087	0.6
108.39031	0.5
111.04507	0.5
113.02448	6.6
119.03493	6.1
119.04183	0.5
123.04528	4.9
138.03252	1.2
143.03517	0.5
147.05626	0.6
147.08202	0.9
149.02475	0.7
151.07753	0.5
153.05614	1.2
163.11285	45.8
164.11659	1.9
165.05470	0.7
177.01978	4.1
179.05614	0.7
183.50829	0.6
192.04330	3.1
193.05025	0.5
194.02238	1.8
194.05818	0.5
197.81401	0.5
205.05113	0.7
206.05457	0.8
207.06738	0.5
207.10347	0.8
209.04553	4.7
210.05357	2.2
225.07690	4.0
225.11322	0.8
341.11093	0.6
344.22232	0.9
369.15521	0.7
372.10675	1.2
375.52499	0.6
387.12842	9.0
387.16763	100.0
388.12772	0.7
388.17194	11.2
388.21487	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68644	0.4
54.97438	0.5
57.03450	1.2
59.01380	3.5
61.98830	100.0
70.66462	1.0
71.01364	2.6
74.02489	0.6
78.95911	0.9
82.95435	1.4
84.04546	0.6
85.02966	0.9
87.00902	2.4
88.04057	0.6
89.02464	1.7
91.99284	0.5
96.04560	0.9
96.96020	1.4
96.96976	1.6
101.02496	0.6
113.02459	0.7
119.03531	0.6
123.04599	0.5
125.02513	0.7
128.03558	1.2
130.08719	0.7
137.02470	0.6
146.06128	1.1
151.00400	0.6
151.04013	1.0
153.01929	4.9
153.05574	0.6
161.79834	0.5
169.08743	2.2
169.55922	0.6
184.66518	0.5
191.05638	1.4
197.04619	1.9
200.09331	1.4
233.03197	0.5
284.15128	0.5
341.10858	3.7
370.18701	0.7
387.18781	1.1
387.23184	0.5
388.19760	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	387.1918
Annotation	Trimethobenzamide
Peak:m/z	Relative Intensity
56.63187	2.3
59.01373	7.0
61.98832	18.1
64.55655	1.9
69.19519	2.4
69.39758	8.3
70.57465	2.0
83.05070	2.8
99.08167	6.0
127.11349	2.9
139.11243	3.1
165.12859	4.7
171.10257	8.7
183.13890	8.1
193.12233	3.1
211.13374	39.5
229.14445	20.6
233.11560	30.9
234.11977	2.7
244.59801	2.5
249.11098	2.5
251.12523	8.1
329.23318	67.8
330.23691	6.4
351.21445	23.6
387.19183	100.0
387.23407	3.9
388.19565	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	387.2021
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
52.16684	0.4
52.36395	0.4
55.01876	4.5
57.03199	0.7
57.03450	6.1
58.00597	1.3
59.01379	100.0
60.01713	1.2
67.01897	0.4
68.99810	1.2
69.03442	0.5
69.10806	2.9
71.01381	85.9
71.05017	1.4
72.01720	1.5
72.99307	1.7
73.02948	19.8
73.03365	0.9
75.00851	0.8
81.03450	0.9
81.07095	1.7
83.01387	7.4
83.01880	0.5
83.05038	4.0
85.02953	31.1
86.03291	0.6
87.00882	3.5
89.02444	48.5
90.02792	0.4
95.01395	6.4
97.02927	2.2
97.06590	0.5
99.00874	6.5
101.02442	50.2
102.02757	1.0
105.07105	1.2
107.05025	1.5
111.41411	0.4
113.02450	39.7
114.02769	0.9
115.03941	0.5
119.03505	18.0
119.15713	0.4
120.03818	0.7
121.02967	0.6
121.06609	2.6
121.10236	1.6
123.08166	46.2
124.08480	2.5
125.02454	1.7
125.06026	0.5
129.01962	0.9
131.03514	1.8
136.05310	0.4
137.09724	14.3
138.06885	1.4
138.10069	0.5
139.07652	0.9
143.03523	4.4
145.10220	0.5
147.08182	1.3
149.04544	1.6
149.09720	0.8
151.07700	0.8
152.08423	1.7
153.09242	2.3
155.08673	1.2
155.10757	1.2
159.02979	4.6
161.04559	25.9
162.04974	0.6
163.11284	40.9
164.11627	1.5
167.10760	0.8
171.11815	3.5
173.09732	3.2
174.10236	0.6
179.05624	6.2
189.12848	60.9
190.13210	3.3
191.41510	0.4
207.13899	85.9
208.14265	5.4
225.07706	1.7
225.14955	11.7
226.15315	0.9
267.16052	0.4
293.83450	0.4
331.74854	0.4
374.26419	0.4
387.16345	2.5
387.20477	15.3
388.20450	1.8
394.36728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Asp Arg Val
Peak:m/z	Relative Intensity
50.06834	0.3
51.83542	0.2
55.01877	3.9
55.39091	0.2
57.03448	6.8
58.00586	0.7
59.01378	77.8
60.01715	0.9
67.01917	0.3
69.03459	1.1
71.01381	86.6
71.04997	1.2
72.01729	1.1
72.99306	1.5
73.02943	21.0
74.03281	0.5
75.00878	1.2
81.03471	0.8
81.07095	1.6
83.01385	8.0
83.05025	4.8
84.02184	0.4
85.02951	31.0
86.03299	0.6
87.00874	2.7
89.02442	36.0
95.01385	6.1
95.08666	0.6
97.02954	2.1
97.06631	0.5
98.03722	0.3
99.00879	6.7
101.02442	44.3
102.02782	0.7
102.98609	0.4
105.07097	1.4
107.05027	1.5
109.06589	0.3
113.02449	38.1
114.02802	0.7
115.04027	0.3
119.03505	12.7
121.06599	2.6
121.10227	1.4
122.06129	1.4
123.08163	58.8
124.08497	1.9
125.02438	1.5
125.06069	0.3
129.01933	1.1
131.03497	1.4
132.04530	0.6
135.08110	0.4
136.01598	0.6
137.09726	16.5
138.06836	1.5
138.10066	0.6
139.07648	0.4
143.03491	3.8
145.10258	0.5
147.08179	0.9
149.04561	1.5
151.04015	1.1
151.07635	0.3
153.09238	2.3
155.08669	1.6
155.10773	1.0
159.02991	5.2
159.33423	0.2
161.04561	24.6
162.04890	0.9
163.11287	48.0
164.11586	2.8
166.02789	0.4
171.11790	3.8
173.09711	3.8
177.05518	0.4
179.05585	4.0
181.05019	0.7
187.11314	0.4
189.12846	69.8
190.13196	4.4
203.07092	0.3
207.13895	100.0
208.14232	6.5
225.14960	12.0
225.17253	0.4
226.15312	0.7
235.11894	1.2
267.16031	0.3
311.10199	0.8
357.09799	0.3
387.20184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16684	0.4
52.36395	0.4
55.01876	4.5
57.03199	0.7
57.03450	6.1
58.00597	1.3
59.01379	100.0
60.01713	1.2
67.01897	0.4
68.99810	1.2
69.03442	0.5
69.10806	2.9
71.01381	85.9
71.05017	1.4
72.01720	1.5
72.99307	1.7
73.02948	19.8
73.03365	0.9
75.00851	0.8
81.03450	0.9
81.07095	1.7
83.01387	7.4
83.01880	0.5
83.05038	4.0
85.02953	31.1
86.03291	0.6
87.00882	3.5
89.02444	48.5
90.02792	0.4
95.01395	6.4
97.02927	2.2
97.06590	0.5
99.00874	6.5
101.02442	50.2
102.02757	1.0
105.07105	1.2
107.05025	1.5
111.41411	0.4
113.02450	39.7
114.02769	0.9
115.03941	0.5
119.03505	18.0
119.15713	0.4
120.03818	0.7
121.02967	0.6
121.06609	2.6
121.10236	1.6
123.08166	46.2
124.08480	2.5
125.02454	1.7
125.06026	0.5
129.01962	0.9
131.03514	1.8
136.05310	0.4
137.09724	14.3
138.06885	1.4
138.10069	0.5
139.07652	0.9
143.03523	4.4
145.10220	0.5
147.08182	1.3
149.04544	1.6
149.09720	0.8
151.07700	0.8
152.08423	1.7
153.09242	2.3
155.08673	1.2
155.10757	1.2
159.02979	4.6
161.04559	25.9
162.04974	0.6
163.11284	40.9
164.11627	1.5
167.10760	0.8
171.11815	3.5
173.09732	3.2
174.10236	0.6
179.05624	6.2
189.12848	60.9
190.13210	3.3
191.41510	0.4
207.13899	85.9
208.14265	5.4
225.07706	1.7
225.14955	11.7
226.15315	0.9
267.16052	0.4
293.83450	0.4
331.74854	0.4
374.26419	0.4
387.16345	2.5
387.20477	15.3
388.20450	1.8
394.36728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10333	20.4
57.31612	22.7
59.01361	54.6
61.98837	50.0
69.49593	100.0
81.40756	25.5
93.46226	23.4
125.09573	21.5
301.55646	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	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73180	25.8
59.01365	100.0
61.98816	48.2
69.94130	36.6
69.94486	84.2
78.60454	27.3
90.35956	26.9
98.22617	30.3
105.62523	26.4
116.47186	27.0
123.46185	26.4
131.26025	27.1
141.01698	62.5
164.60458	28.1
189.27733	29.1
198.32954	26.4
214.74419	28.6
385.71875	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	387.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46996	1.1
58.02972	2.0
59.01376	5.5
60.04525	4.3
61.22965	1.1
64.63547	1.1
65.02155	1.0
67.51212	1.0
68.70335	1.0
70.02963	3.2
77.18818	1.1
86.02493	3.6
88.03517	2.1
88.04039	34.2
97.37759	1.3
100.04047	29.5
118.55235	1.3
141.01741	1.1
164.02856	1.3
164.12152	1.1
187.35255	1.1
225.22212	4.2
253.21739	4.2
255.23256	8.7
256.23499	1.3
267.23328	12.2
268.23428	1.8
278.24768	2.3
284.25772	1.7
308.25861	4.5
312.25421	2.7
316.28506	4.2
344.28033	100.0
345.28293	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
61.98829	8.1
71.01366	1.3
73.02950	0.7
80.07964	0.3
85.02956	0.4
89.02489	0.4
90.86047	0.3
101.02455	0.7
112.04037	0.4
113.02460	0.8
119.03510	0.4
128.03505	0.4
130.08684	0.4
131.03711	0.8
134.47157	0.4
144.04556	3.8
145.09828	0.4
146.06111	100.0
147.06462	4.3
152.64075	0.3
161.04550	1.6
190.05099	23.7
191.05580	3.3
246.60988	0.3
281.14896	0.3
308.11438	3.4
352.10342	29.7
353.10712	1.9
356.18732	0.4
358.21677	0.4
388.16702	0.8
388.21161	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.0
59.01377	10.4
61.98819	2.0
70.89861	1.2
71.01386	9.6
71.41724	1.3
71.57877	1.3
71.68433	1.1
73.02940	7.1
78.20564	1.2
82.92377	1.2
82.95394	1.5
83.05013	2.4
85.02965	5.2
87.00874	6.9
87.19360	1.2
89.02465	4.5
90.41549	1.3
93.03461	10.8
93.50928	1.1
96.04528	8.6
99.04499	1.4
99.92590	1.5
101.02437	5.2
106.04241	1.6
109.02943	1.4
111.04533	4.1
112.09308	1.1
113.02447	5.8
115.92053	1.6
119.03564	1.5
120.52881	1.4
121.06561	2.4
123.04529	15.3
127.04033	1.5
128.03520	1.3
131.03502	1.6
132.02174	2.3
133.02962	20.9
134.03740	21.9
135.04570	1.6
136.98572	4.3
137.02475	4.5
149.04939	1.0
149.06064	7.7
155.03438	2.4
160.01660	10.4
161.04562	6.3
165.05566	8.1
166.99599	2.4
169.08688	8.1
173.04546	18.7
175.03984	8.6
178.02701	12.0
179.03441	2.2
187.00040	1.5
188.00890	8.1
191.05627	2.8
193.05052	26.4
193.75880	1.3
200.00912	61.5
200.09277	9.9
215.03249	36.7
221.06677	9.1
231.08858	1.6
232.09167	1.9
266.14139	1.8
312.41653	1.3
345.11789	1.7
370.18622	1.6
374.06149	13.9
388.01962	3.5
388.19806	19.8
389.08539	100.0
389.19318	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	388.1778
Annotation	14-Hydroxyisostephodeline
Peak:m/z	Relative Intensity
55.01877	3.8
57.03446	1.4
59.01377	17.4
60.01700	1.1
61.98841	0.5
69.03389	0.4
71.01378	3.5
71.05028	0.9
71.41740	0.2
72.01720	0.6
72.99310	0.2
73.02943	1.0
73.33549	0.3
80.05030	0.3
80.29626	0.2
80.59653	0.2
83.01365	0.4
83.05057	0.3
85.02945	2.1
87.00865	0.8
89.02451	2.8
90.02765	0.3
93.03461	0.5
95.01392	0.9
95.05030	0.4
96.04508	0.3
96.96008	1.5
97.06589	0.6
99.00909	0.4
101.02464	2.2
102.05621	0.5
108.04567	1.0
108.38589	0.2
109.02942	1.2
109.06569	0.7
110.03722	0.7
111.00894	2.6
111.04485	0.3
112.04050	2.4
113.02451	8.8
114.02770	0.7
119.03470	1.0
121.02969	0.4
122.03712	0.6
122.09747	0.7
122.95525	0.3
123.04546	1.3
124.01726	0.4
124.04044	0.9
124.05277	0.5
125.02419	2.4
125.06052	0.4
129.05583	0.5
135.04546	0.7
136.05359	0.6
136.07674	0.4
137.02446	0.7
137.06076	1.4
138.03227	4.1
139.00381	2.5
139.04022	2.7
140.01166	2.9
141.01875	0.5
143.03506	0.3
146.06126	3.6
147.08061	0.3
149.06050	0.4
151.03981	0.5
152.04813	2.5
152.36978	0.2
153.05560	0.9
154.99843	0.6
157.06589	0.2
161.04568	0.7
163.06442	0.3
163.11266	1.3
164.07159	3.9
164.11610	2.3
165.05525	0.5
166.02715	0.4
167.03468	1.1
168.04207	0.3
169.05199	0.4
173.04578	0.4
175.07658	0.3
176.14392	0.5
177.01952	1.0
177.07979	0.2
178.02286	0.8
179.05669	0.5
190.05090	1.6
191.03842	0.2
191.05563	0.6
192.04245	0.6
193.04686	0.9
194.02281	0.3
194.05406	0.3
195.02666	0.4
201.11476	0.3
209.04483	0.7
210.05002	1.1
220.13397	1.1
225.07758	0.3
226.07874	0.3
244.17082	0.9
260.16531	0.4
272.20166	0.4
288.16083	0.8
294.18475	0.3
300.19614	0.7
316.19174	2.5
317.84396	0.3
326.17490	0.6
344.18597	3.8
347.16919	0.3
352.10352	1.0
360.18130	4.6
370.17032	0.3
388.13364	6.5
388.17584	100.0
389.13614	0.7
389.17905	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98828	51.1
69.47611	76.5
71.01384	24.2
73.02946	22.6
76.68067	19.2
98.88501	16.7
101.02418	26.0
119.43004	16.4
129.11534	18.0
173.55113	17.2
175.21710	18.7
192.66367	16.4
222.14612	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63287	1.9
59.01377	2.6
61.98829	100.0
70.69474	2.4
75.62917	2.3
85.26966	1.8
92.53220	1.9
98.07839	1.8
106.70289	1.9
188.02788	2.0
225.10652	2.1
243.93208	2.1
292.11240	2.0
295.79855	1.8
325.95544	2.0
344.62888	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	388.1975
Annotation	alfuzosin
Peak:m/z	Relative Intensity
52.15448	0.6
53.05725	0.6
57.03447	17.1
59.01371	0.9
60.47482	0.6
66.03487	0.7
67.10262	0.6
71.05018	1.0
72.04543	2.0
73.02946	12.7
83.05023	0.8
85.02948	4.3
86.02475	0.7
87.00884	4.8
87.04501	2.4
90.13911	0.6
93.03452	1.0
95.04974	0.8
96.04551	33.2
96.96036	1.0
96.96954	1.2
99.04546	0.9
101.06087	1.7
110.06105	5.9
111.04529	1.2
113.02473	0.9
114.05615	0.8
126.05594	1.0
131.03645	0.7
131.07158	1.5
133.99696	0.6
136.07695	2.1
137.04822	1.4
143.07185	1.4
144.04553	1.2
146.06117	30.6
152.07167	0.8
154.08675	1.1
166.08768	1.1
169.08694	39.7
170.09038	1.6
182.08235	1.3
184.09804	1.1
188.96452	0.6
190.05093	6.2
191.05609	28.2
193.08661	1.0
195.09032	0.9
200.09277	45.9
201.09627	1.9
210.11354	5.4
220.13391	3.4
248.12923	4.3
257.71524	0.7
266.13953	7.0
284.15109	1.8
308.11234	1.0
352.10461	9.3
352.17581	2.4
353.08673	4.3
370.18710	12.2
371.19028	0.8
388.19751	100.0
389.15118	0.6
389.20013	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	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	24.9
59.01371	3.5
59.38717	1.0
59.43812	1.0
61.98837	5.5
69.03423	1.7
70.82397	1.3
71.01421	1.0
71.05029	1.5
73.02952	2.2
73.06712	0.9
85.02960	5.2
87.00861	6.8
95.08672	1.2
96.04545	22.7
100.88108	0.8
105.38397	0.8
110.06136	0.9
113.02445	1.8
125.09758	1.4
131.07104	1.4
136.07616	1.1
137.04819	8.9
154.90808	0.9
162.09103	1.4
169.08704	97.8
170.09070	5.4
182.08218	2.3
184.09842	5.6
195.08932	5.8
200.09282	23.3
210.11363	24.9
210.13286	1.4
211.11717	2.0
218.11943	1.6
220.13419	16.5
221.13782	1.0
222.11311	1.9
248.12958	9.6
264.20120	1.0
266.13943	23.1
274.42435	1.0
326.54126	1.1
352.17667	3.6
370.18683	83.5
371.18887	6.7
388.19769	100.0
389.14951	1.5
389.20087	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	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
61.98826	100.0
65.36301	1.6
70.30232	3.2
79.44400	1.6
98.22522	2.4
105.16147	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
61.98829	100.0
69.27238	2.4
69.27632	2.5
73.02925	1.2
79.95736	2.0
83.07559	1.0
89.02497	1.0
96.66458	0.9
96.96016	11.7
145.72443	1.0
280.98508	1.1
325.20209	17.1
330.23550	1.4
349.16006	1.1
356.10522	1.0
389.16461	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	388.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	68.6
61.98833	5.3
70.02975	42.8
71.43519	5.1
86.91106	4.0
239.23796	10.8
280.26495	6.3
327.29803	4.6
328.28543	100.0
329.28952	10.4
348.39600	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	389.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39287	0.9
57.03436	3.5
58.46438	0.8
59.01373	0.8
68.38269	0.8
71.42235	1.1
73.02939	2.0
85.02940	4.4
87.00867	1.5
93.03459	1.4
96.04556	4.9
111.04527	1.1
111.60661	0.9
113.02457	1.2
116.65251	0.7
127.04016	1.8
146.06110	6.6
147.06470	2.3
159.02402	0.8
169.08704	4.1
170.09029	1.5
190.05099	1.3
191.05605	100.0
192.05919	3.0
200.09320	4.3
201.09517	1.7
216.97955	0.9
260.97089	1.5
352.10416	1.2
353.08545	9.9
354.09009	1.0
371.19046	1.3
388.19733	6.7
389.15195	1.2
389.19986	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	389.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16420	1.5
58.64345	1.6
59.01365	1.6
71.04248	2.4
82.20171	1.5
88.57944	1.7
93.03452	3.6
121.02923	4.5
122.03728	12.2
133.02934	3.0
134.03745	68.4
135.04070	2.0
137.02441	7.5
145.27122	1.6
149.02443	17.7
149.06102	13.2
150.03221	97.2
151.03572	3.6
161.08080	1.9
164.04788	3.6
165.05560	100.0
166.05846	5.5
176.46469	1.5
178.02708	37.1
179.03221	1.9
180.04237	6.3
193.05063	99.8
194.05356	3.5
195.06616	52.9
196.06921	2.4
236.86348	1.5
244.43883	1.6
249.21571	1.7
258.63257	1.6
286.14655	1.9
326.59659	1.5
341.10114	2.5
346.23801	2.1
390.22824	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	389.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89617	1.0
55.55781	1.1
58.56870	1.1
59.01373	3.0
69.23492	5.7
71.01387	2.0
73.02952	1.3
93.03443	1.8
95.05015	1.1
98.22745	1.6
101.02375	1.3
121.02960	9.5
122.03730	7.4
133.02914	1.6
134.03743	38.8
135.04205	1.4
136.05284	14.3
137.02466	2.5
149.02426	17.8
149.06041	7.2
150.03218	55.5
151.03642	2.0
152.76561	1.2
164.04799	3.8
165.05562	58.7
166.05923	1.7
178.02716	20.5
180.04301	3.0
193.05057	56.1
194.05423	2.2
195.05321	0.6
195.06615	29.0
227.10770	100.0
228.11110	6.7
231.85298	1.1
239.07234	1.8
239.64897	1.1
250.06303	2.0
267.06635	1.6
282.08890	5.2
288.12756	1.2
321.57147	1.0
341.10321	20.9
342.10703	2.1
389.12427	1.3
390.22992	2.0
390.98654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.4
59.34998	1.0
66.82673	0.9
69.12283	2.7
69.12688	3.8
71.01375	1.4
73.02966	2.0
83.04995	1.7
89.02474	1.0
93.03455	4.7
98.21903	2.4
101.02397	1.3
103.54533	1.0
119.05037	2.0
119.22316	1.1
121.02946	21.5
122.03738	14.2
132.02107	2.2
133.02927	4.1
134.03740	72.8
135.04390	3.5
137.02440	4.4
139.03963	1.8
148.01657	1.1
149.02440	40.2
149.06075	15.5
150.03221	97.5
151.03528	4.7
164.04808	8.6
165.05565	100.0
166.05919	4.4
178.02707	29.3
179.03171	1.5
180.04271	7.7
193.05055	84.9
194.05403	4.1
195.06621	54.1
196.06937	2.7
202.88797	1.1
205.06645	1.4
222.06767	1.3
227.07121	4.0
234.06868	1.9
235.07538	1.3
239.07042	4.9
250.06339	5.1
251.06937	1.5
253.08624	2.3
254.09355	2.0
267.06619	3.2
282.08954	10.9
341.10272	53.5
342.10538	5.5
346.23877	6.1
389.12543	1.7
390.22949	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	389.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79921	7.4
53.37062	6.6
58.31143	6.6
59.01382	42.7
61.98821	28.3
66.34330	6.5
71.01385	15.5
71.05732	8.2
73.02940	8.4
89.02437	26.9
98.70065	6.8
101.02449	6.9
127.07193	6.3
143.62901	6.6
174.44321	6.9
179.05608	11.5
237.65086	6.2
372.21753	24.0
389.18188	14.5
389.23709	6.3
390.22833	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.2
61.98812	0.4
68.33060	0.3
69.65044	0.7
69.65428	0.5
71.01388	5.1
73.02970	0.7
82.95416	0.8
85.02965	1.1
89.02445	7.1
93.03464	0.7
95.01402	0.4
101.02446	2.9
105.07113	0.4
109.06604	0.4
113.02467	1.7
116.13549	0.3
119.03514	2.4
120.32983	0.3
125.02545	0.3
134.03842	0.3
143.03508	0.6
149.06070	5.6
161.04549	0.6
179.05692	1.3
191.05612	0.5
268.73956	0.4
329.12460	2.5
389.08527	0.7
389.17880	3.5
389.22473	0.6
390.23132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04834	0.5
51.91594	0.4
52.14795	0.4
57.02300	0.4
57.03455	0.7
59.01378	100.0
60.01717	1.1
61.98828	0.9
67.01901	0.9
69.03477	0.6
71.01377	14.3
72.99323	0.6
73.02941	3.5
75.70349	0.4
77.78030	0.4
79.15948	0.4
81.03461	0.8
82.95444	1.5
83.01392	1.1
85.02945	4.4
87.00876	2.5
87.04510	0.6
89.02444	17.8
92.08460	0.4
93.03454	4.7
95.01385	1.3
96.00927	0.9
97.06596	0.9
99.00881	0.7
101.02441	9.4
101.03079	0.5
102.05559	0.4
102.98605	0.4
105.07103	0.9
111.00926	0.5
111.04532	1.4
113.02462	6.2
115.04029	0.9
119.03493	7.2
119.04944	0.4
121.87933	0.4
124.01685	0.8
125.02453	0.8
127.05099	0.5
128.03542	0.7
129.05585	0.7
130.08852	0.5
131.03505	1.3
132.02196	0.4
133.02927	0.7
134.03722	3.2
137.02443	2.5
138.02750	0.7
139.02986	0.8
139.04019	1.0
143.03517	1.7
145.06227	1.3
149.04848	0.7
149.06075	14.2
153.09193	0.6
155.03619	0.8
160.01700	1.3
161.04559	5.0
173.04518	7.4
173.05771	0.6
175.04106	1.4
178.02737	0.6
179.03548	0.4
179.05659	3.2
183.10327	0.5
191.05669	1.6
193.05127	1.1
197.08186	0.9
200.00946	1.8
214.40300	0.5
215.03296	1.7
215.09285	2.0
249.09932	1.5
268.59579	0.5
294.60922	0.6
329.12415	6.3
330.12872	0.5
346.23990	0.9
374.06375	1.6
389.08618	5.3
389.14322	2.0
389.18402	2.0
389.22122	1.2
390.09158	1.0
390.14243	0.7
390.23050	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	389.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
59.01378	0.4
70.38663	0.1
71.01378	1.5
71.04967	0.1
71.94971	0.1
73.02947	0.6
74.52171	0.1
79.05523	0.1
83.01357	0.1
85.02954	0.6
89.93653	0.1
90.24293	0.1
93.03472	0.1
95.01387	0.1
95.05028	0.9
101.02451	0.9
105.07096	0.2
113.02446	0.7
122.03702	0.1
128.19182	0.1
135.04482	0.1
136.05295	16.0
137.05652	0.5
139.03992	0.3
151.03993	0.4
159.02927	0.1
161.04561	0.8
168.03091	0.1
169.06531	0.1
171.08163	0.8
175.04097	0.1
181.10220	0.1
183.11768	0.9
225.09229	0.2
227.10759	100.0
228.11075	7.0
250.30135	0.1
251.10796	0.2
390.22556	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	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.66990	0.5
57.03447	1.4
59.01379	73.2
60.01697	1.2
61.01817	0.5
61.98823	1.6
67.01878	1.0
69.03452	0.8
70.97336	0.8
71.01011	1.0
71.01381	13.9
72.01739	0.6
72.99331	0.6
73.02946	3.9
83.01377	2.7
85.02958	6.5
87.00876	1.3
89.02438	7.4
93.03434	1.4
95.01380	2.1
97.02948	1.0
99.00872	1.6
101.02438	11.6
109.06549	0.7
111.00151	1.1
111.00885	16.6
111.04543	0.7
112.01226	5.1
113.01283	0.6
113.01665	0.7
113.02443	7.7
114.02771	0.8
116.92889	0.9
119.03498	3.4
120.04519	1.3
128.72461	0.6
132.04541	2.2
149.09685	0.6
153.05559	1.7
155.70650	0.5
161.04559	2.6
166.02725	1.6
168.06612	0.9
173.04604	1.1
179.05516	1.1
188.74095	0.6
191.05603	3.0
313.11938	1.7
329.15906	1.8
330.16223	0.7
345.19006	0.7
347.17102	0.6
357.11017	2.8
389.18106	100.0
390.18515	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	389.1969
Annotation	Longikaurin C
Peak:m/z	Relative Intensity
56.93663	0.6
59.01381	5.8
61.98813	1.9
67.28854	0.6
76.17365	0.7
80.17091	0.7
83.05035	5.2
98.22693	1.3
98.89317	0.7
114.51361	0.7
136.05270	1.0
137.02409	3.5
137.06105	1.0
152.04753	2.1
153.05554	1.8
164.04855	0.8
165.05548	2.5
189.12856	2.1
192.04274	2.1
193.05081	0.8
199.07565	0.8
201.12881	1.0
215.10768	2.7
217.12453	0.9
243.10234	3.4
255.17554	0.9
257.19101	2.8
269.15558	1.4
271.09732	4.5
271.13156	1.3
273.18707	1.2
283.16867	1.2
285.14993	3.4
285.18597	4.0
286.15457	1.7
299.12970	2.3
301.18085	14.8
302.18326	1.1
313.14563	2.0
314.15344	1.5
329.17572	59.2
330.17831	6.9
347.18549	1.4
357.80905	0.8
361.20261	1.2
389.19672	100.0
390.20026	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88493	20.1
66.45935	16.4
69.06047	100.0
69.06454	36.2
101.28197	19.5
115.19767	17.3
253.86388	22.5
311.53497	26.5
351.30630	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49063	20.6
61.98822	50.8
63.50068	27.9
69.50128	100.0
70.86331	22.3
71.40722	26.6
74.14349	22.5
146.61844	24.0
171.67830	23.3
191.05707	28.3
215.02954	22.7
215.96558	21.9
220.61397	22.3
235.42455	22.8
248.55609	22.3
304.20743	23.5
390.11157	23.0
390.38913	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
70.62312	3.7
110.46345	3.8
123.21883	3.9
123.74702	4.0
170.23096	3.7
315.20465	3.6
321.29553	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	390.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01380	2.7
61.98826	1.7
62.46801	0.3
69.29211	1.5
71.01363	1.5
73.02940	0.5
79.95731	10.1
80.96518	0.9
83.01394	0.3
85.02968	0.8
89.02429	0.5
96.04589	0.5
96.96008	97.7
97.95971	0.3
101.02445	0.9
104.78936	0.3
113.02440	1.1
115.04037	0.4
116.32981	0.3
119.03504	0.4
134.03737	0.5
135.04514	1.8
139.03946	0.3
148.22679	0.3
157.61646	0.3
161.04594	1.0
169.08766	0.4
179.03490	1.2
191.05618	1.2
192.06024	0.3
216.98840	0.6
252.16125	0.3
262.96469	0.4
269.98495	0.3
276.10983	0.5
290.10687	0.5
304.12256	4.5
310.20126	1.8
316.12122	0.7
346.16928	0.8
372.19116	0.3
390.15884	100.0
391.04636	2.2
391.16165	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90805	0.3
55.26427	0.3
56.07672	0.4
59.01373	0.6
61.98829	100.0
62.19685	0.3
65.59032	0.3
69.23028	1.6
77.53504	0.3
82.21670	0.4
93.03513	0.4
113.08627	0.4
130.87408	0.3
191.05569	0.8
217.58467	0.3
265.59656	0.4
368.63446	1.2
390.22977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68523	0.4
55.15430	0.4
59.01373	1.3
61.98827	100.0
78.95414	0.4
79.95732	1.1
96.96009	25.1
167.64456	0.5
171.13948	0.9
181.59741	0.5
197.80774	0.6
251.66547	0.5
263.20184	0.5
266.70483	0.5
291.19724	0.8
291.85275	0.5
309.20810	0.9
311.22253	0.7
313.18033	0.6
327.21765	12.1
328.22101	1.6
353.98212	0.5
359.12595	0.4
390.14536	0.5
390.22809	0.5
391.18094	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56307	0.5
53.59146	0.4
58.32030	0.5
61.98827	100.0
70.96897	1.0
120.23727	0.6
139.63028	0.5
170.87134	0.6
172.76253	0.6
263.20419	0.7
327.21774	2.6
384.26505	0.5
390.14780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98191	1.3
59.01363	4.5
61.98829	100.0
65.72974	1.3
70.25240	1.3
73.21175	1.3
78.59478	1.3
108.15001	1.4
151.37218	1.6
174.78749	1.4
208.88625	1.6
390.19034	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	390.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01115	0.6
59.01379	7.0
59.48640	0.5
61.98830	2.4
67.01878	0.6
69.03449	2.6
69.30968	0.6
71.01384	1.3
73.02943	13.9
74.02467	0.8
80.05051	2.0
82.06600	0.5
83.05029	1.2
83.82970	0.5
84.04554	0.6
84.79859	0.6
85.02967	2.3
85.06579	2.0
86.06116	0.7
87.00909	0.7
89.02444	0.6
92.05033	0.6
95.05035	0.8
96.04539	0.8
97.02931	0.8
97.06602	1.2
98.03700	0.8
98.15621	0.6
101.02406	0.6
108.04568	0.8
110.06149	0.7
111.08149	3.0
113.02441	5.7
113.09722	3.7
115.04005	1.5
122.09748	4.7
123.08183	1.0
125.09792	0.6
145.06114	0.7
148.07666	2.5
160.62912	0.5
166.08751	4.2
168.10207	0.5
175.03996	0.6
191.05640	1.1
232.13319	0.7
234.14905	3.3
260.16595	1.0
260.20227	0.8
272.34909	0.5
276.19739	2.3
302.24854	1.3
328.22882	1.0
329.30887	0.5
346.20230	3.2
346.23853	34.7
347.24234	3.2
372.21890	1.5
390.22858	100.0
391.23468	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	390.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
59.01377	26.8
61.14268	0.7
61.98830	1.6
66.75170	0.6
67.01888	1.1
69.03461	1.1
71.01379	3.8
71.05001	1.1
71.98914	0.6
73.02945	15.3
74.69836	0.6
83.05023	31.3
85.02955	2.6
85.06587	2.1
86.06112	1.4
87.00869	1.0
89.02451	1.8
93.03453	2.4
94.03786	0.9
96.04554	1.9
97.02919	1.4
100.04026	0.8
101.02457	1.0
104.55562	0.7
109.06608	3.1
110.06123	1.1
111.08157	1.3
112.04031	0.7
113.02451	1.5
113.03604	0.7
114.05590	1.2
115.04013	1.2
122.09761	1.3
125.04824	1.0
131.08629	0.6
134.03726	1.0
137.02458	2.5
138.02823	2.4
139.02934	0.9
140.03168	0.7
154.66531	0.7
161.04515	1.3
166.08759	1.5
191.05643	1.2
192.17683	1.1
199.07722	2.2
221.14085	0.8
234.15016	0.8
236.16524	5.3
252.15973	1.2
260.16464	0.9
260.20215	2.5
272.68225	0.6
276.19754	1.4
286.18448	1.0
292.19278	1.2
302.17722	1.5
302.24957	4.6
304.19089	1.4
328.22485	1.0
346.23837	74.5
347.24176	8.2
358.20200	3.5
372.21799	2.5
390.22842	100.0
391.23340	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	390.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21657	0.6
57.03418	1.1
59.01373	7.6
61.83891	0.7
61.98835	3.9
66.03489	0.9
68.20274	0.6
69.03449	0.9
69.75274	0.8
71.01378	1.3
71.05013	2.6
73.02934	2.1
74.14075	0.7
82.95389	0.7
83.05018	1.8
83.43079	0.6
83.80868	0.7
85.02957	0.7
86.06131	0.8
87.00863	2.2
87.04493	0.9
93.03456	1.3
95.05038	1.4
97.02947	0.8
98.03716	4.4
109.02902	1.2
110.06124	1.0
111.04502	2.7
112.04031	2.0
113.02424	1.9
114.05627	0.8
115.03984	1.5
116.92899	0.7
119.05005	1.0
120.13714	0.7
122.03748	0.8
129.10330	4.3
130.08745	11.2
131.09081	1.1
137.06087	3.2
147.04471	0.9
148.07765	0.8
161.04543	0.9
164.07150	3.1
166.08702	1.5
176.04030	1.0
179.03418	0.8
185.57967	0.7
191.05544	1.7
191.82216	0.6
216.13872	1.5
225.04132	0.9
239.14011	1.0
240.14342	0.9
242.18788	1.4
246.18602	2.1
259.14594	1.4
267.34213	0.8
274.18152	1.9
313.20157	0.8
328.22775	12.7
346.23892	2.8
356.16049	1.3
358.20316	1.3
372.21820	9.8
388.21320	1.0
390.22888	100.0
391.09521	0.9
391.14453	1.7
391.23361	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	390.2285
Annotation	Pentagydine
Peak:m/z	Relative Intensity
57.03440	0.8
59.01378	2.4
59.77802	0.2
61.98820	0.5
66.03474	0.3
67.01881	0.4
67.05507	0.3
69.31075	1.4
71.01385	0.4
71.05016	1.9
73.02946	2.2
83.05027	1.4
85.02956	0.7
85.06596	0.4
87.04501	1.4
93.03447	0.4
95.05019	0.7
96.04552	0.9
97.02947	0.9
98.03741	3.5
102.98635	0.3
109.02949	0.8
109.06580	0.7
110.03769	0.3
110.06104	0.4
110.09756	0.3
111.04522	2.4
112.04028	0.5
113.02467	0.3
114.05571	0.5
115.04008	2.0
122.03733	0.5
122.09760	1.0
129.10382	0.3
130.08754	1.8
135.04536	0.4
136.05278	0.9
136.07849	0.4
137.06091	3.5
148.07675	0.8
149.13393	0.6
163.07594	0.4
164.07162	0.5
166.08710	1.6
191.05592	0.3
230.15495	0.4
230.19109	0.4
234.15012	0.8
236.16467	0.4
246.18556	1.6
252.15967	0.4
256.17020	0.3
272.16663	0.3
274.18082	2.1
278.17630	0.7
284.23816	0.7
300.23318	0.7
311.42865	0.3
326.21164	0.8
328.22803	11.2
329.23132	1.2
344.22232	0.4
346.23758	2.1
347.21539	0.4
372.21786	11.3
372.26578	0.6
373.22394	1.3
388.21213	0.6
390.22845	100.0
391.23157	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	390.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43625	0.8
59.01372	2.8
61.98835	1.8
81.25166	0.8
82.04148	0.8
85.56317	0.8
100.07680	2.9
114.68131	0.7
126.89726	0.8
175.01498	15.8
208.88771	0.8
232.08388	2.0
237.81703	0.8
248.10379	13.0
288.16962	1.2
300.13293	1.0
305.17459	5.8
333.16550	1.9
372.22910	9.3
373.23175	1.2
378.41852	0.8
390.23965	100.0
391.24368	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	390.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	57.2
61.88741	29.0
61.98840	46.2
69.93620	100.0
83.42678	32.6
94.51977	27.2
111.08768	30.7
165.83989	31.3
201.66344	30.3
265.20935	31.2
336.80960	33.5
398.81223	35.6
408.11429	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	390.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37162	49.4
59.01389	95.8
61.98822	100.0
62.01514	49.4
70.98732	45.1
71.40832	58.6
75.75785	44.8
76.07882	49.2
132.00464	45.2
134.80408	44.9
135.47578	51.2
192.05328	49.9
201.32237	52.1
209.22630	47.6
230.81142	45.6
367.46606	49.0
383.27536	51.3
395.24393	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	391.0968
Annotation	5-Hydroxy-3,4,7-triphenyl-2,6-benzofurandione
Peak:m/z	Relative Intensity
58.99609	12.9
59.01076	2.4
59.01379	32.8
61.98817	2.1
62.96692	1.3
70.02961	1.4
71.01386	8.3
72.00900	7.3
73.02940	2.8
83.01361	1.7
85.02947	4.4
85.04057	1.6
86.99103	10.0
87.00842	2.1
89.02473	2.7
91.05550	7.4
93.03496	2.8
96.04562	8.8
97.02941	2.0
101.02440	6.2
102.00189	20.6
103.05568	1.6
110.06115	11.9
111.01986	1.9
113.00729	2.1
113.02446	4.7
113.67265	1.6
118.06649	13.5
121.02988	1.6
122.06110	46.2
123.04517	2.5
128.01740	8.3
147.04524	30.3
154.03348	3.4
156.04912	3.9
161.04463	2.1
164.07155	100.0
165.06569	14.8
172.07594	1.5
173.04575	3.2
175.46606	1.5
177.06712	2.4
178.29117	1.7
179.04591	3.2
189.10234	7.9
190.05167	3.1
191.05650	3.0
197.08455	2.1
206.06412	24.5
206.08167	2.0
219.61740	1.5
225.03394	18.0
233.09337	4.7
269.12949	10.0
283.10873	13.3
313.11972	3.7
327.10083	2.4
332.13870	1.6
347.10693	26.3
348.10965	3.5
355.24976	1.7
373.08594	21.0
374.09088	1.9
391.09671	68.5
391.14801	3.3
391.19342	3.4
391.23645	2.0
392.09854	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0971
Annotation	5-Hydroxy-3,4,7-triphenyl-2,6-benzofurandione
Peak:m/z	Relative Intensity
57.03448	4.7
58.99612	4.9
59.01377	100.0
60.82686	0.7
65.69418	0.6
69.03452	1.0
69.59184	2.6
70.92948	0.6
71.01381	10.3
72.00906	3.0
73.02950	3.1
83.01391	0.8
85.02939	4.9
86.99091	3.3
87.00861	0.8
87.04526	0.7
89.02437	9.4
91.05501	3.4
93.03452	0.9
96.04567	3.4
97.02996	1.2
98.22581	1.0
99.04530	0.7
101.02444	5.9
102.00183	8.8
106.01654	0.6
106.06612	1.2
110.06113	4.3
111.04549	0.8
113.02437	9.7
118.06629	6.0
119.03497	4.3
122.06113	16.2
124.07788	0.8
125.02457	0.8
128.01746	3.1
128.76480	0.7
130.03307	0.8
139.03917	0.6
143.03513	1.5
147.04517	12.7
150.05630	1.1
154.03403	1.0
156.04916	0.9
161.04584	3.4
164.07159	44.2
165.06602	5.7
173.04529	0.7
177.06824	0.9
179.05630	2.5
189.10338	2.7
190.05118	1.2
191.05666	1.0
206.06418	10.3
211.13419	1.3
217.14305	0.8
225.03392	7.4
226.12263	1.0
229.14288	1.0
233.09364	1.8
243.12254	1.1
269.13000	2.8
275.76935	0.7
277.09607	0.7
277.12988	2.2
283.10895	5.2
292.19128	0.8
294.17047	2.0
295.10818	0.6
313.11954	1.7
327.09799	1.2
329.09979	0.6
331.17636	4.0
334.73740	0.6
347.10657	11.1
348.11014	1.1
348.22211	0.6
349.18750	2.2
356.10373	0.8
373.08615	11.3
373.13480	1.4
374.08667	0.9
391.09695	30.0
391.19513	5.1
391.23212	0.8
391.27365	0.8
392.10001	2.6
392.16159	1.0
392.20694	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	391.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80814	1.8
55.01873	6.8
55.09771	1.8
57.03433	3.1
59.01375	90.0
61.98830	3.8
69.03459	4.4
70.81186	1.9
70.81567	2.5
71.01375	83.5
71.05015	4.9
72.01692	1.8
73.02943	29.3
74.02480	2.5
75.00866	3.1
83.01374	13.0
83.05028	2.8
85.02946	39.5
87.00877	4.3
89.02437	35.4
95.01355	6.1
98.02479	4.1
98.22589	1.9
99.00876	10.3
100.10241	1.7
101.02437	60.4
103.01527	2.2
106.77109	1.7
108.03646	1.8
113.01719	1.1
113.02442	46.8
115.04003	49.9
119.03487	9.2
125.02418	2.4
131.03474	1.6
143.03506	3.7
159.02960	7.1
160.01660	4.6
161.04555	41.9
164.07108	1.9
175.03934	3.8
179.05614	4.2
189.13278	1.6
193.05014	3.1
213.01845	2.9
233.10271	20.5
241.01358	3.2
277.09253	100.0
278.09680	3.1
331.17508	2.5
347.21664	3.8
387.83585	2.0
391.19681	10.3
392.19131	2.9
411.91620	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	391.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.3
61.98820	4.9
69.72594	7.6
69.72929	2.7
71.01376	9.2
72.81403	2.5
73.02958	6.6
82.95419	3.5
84.95116	3.0
85.02981	3.9
85.92487	2.9
87.34036	2.5
91.44348	2.3
97.28015	3.3
98.21917	4.7
99.92571	5.8
101.02417	4.2
107.37106	2.4
111.00861	3.0
113.02423	3.0
134.03766	12.2
135.04546	12.9
136.24388	2.9
139.00383	54.7
154.02716	81.9
159.02943	2.7
161.04547	9.4
169.05060	100.0
170.05354	7.1
174.99184	2.8
179.03503	13.3
191.05739	3.8
204.98997	4.0
216.96036	3.5
216.98782	17.6
217.96745	3.3
218.97520	19.5
262.96515	27.4
263.96817	4.1
273.39917	2.5
280.15704	5.3
331.10440	3.4
336.17853	3.3
337.18335	2.9
354.19092	18.9
355.19543	18.1
356.71271	2.9
389.23468	2.7
391.05145	24.7
391.09232	7.1
392.13943	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	391.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.9
57.03433	3.3
58.00592	1.2
59.01377	100.0
60.01686	1.8
61.98821	2.5
63.46218	0.9
69.03461	4.7
69.31838	4.7
70.51561	0.8
71.01379	48.0
71.05035	1.5
72.99316	1.8
73.02948	15.2
73.36463	0.9
75.00863	1.3
76.95521	0.9
77.15133	1.0
82.95383	1.1
83.01381	9.0
83.05018	3.2
85.02950	19.9
86.00089	1.3
87.00873	3.4
87.04520	1.5
89.02442	31.7
93.03471	1.4
93.07076	1.4
95.01389	3.3
95.04980	2.4
97.02930	6.4
99.00879	20.7
99.92579	1.9
100.01668	3.7
101.02437	34.9
101.03102	1.8
109.06581	1.6
111.03848	1.0
111.04502	6.2
113.02450	44.2
113.06037	1.4
115.03984	2.2
115.92071	1.1
116.92834	2.5
119.03499	20.9
121.02951	1.1
125.02435	4.6
131.03494	1.4
133.05106	1.2
135.04517	1.0
137.06104	5.7
138.09227	1.3
139.03979	1.1
143.03513	4.2
143.07109	1.1
155.07104	3.1
159.02983	3.2
161.04552	44.3
162.04852	1.7
178.04819	2.0
179.05620	7.7
187.13301	1.8
191.05623	2.1
193.05005	1.7
277.09286	49.6
277.12482	2.0
278.09579	2.7
278.46793	0.9
331.17572	2.3
349.18567	4.4
374.19595	0.9
390.18350	1.2
391.15677	2.6
391.20099	8.5
392.20773	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95297	0.4
54.99037	0.4
55.01889	0.8
57.03446	7.6
58.00607	0.9
59.01379	100.0
60.01711	1.2
61.98833	1.2
64.93212	0.5
65.79161	0.5
66.20747	0.4
69.03457	7.0
69.05652	1.5
69.06074	1.5
71.01382	36.0
72.99335	1.0
73.02944	4.5
83.01413	2.2
85.02947	9.1
87.00871	2.6
87.04546	0.9
89.02448	45.7
90.02764	0.7
93.03477	0.7
95.01407	2.3
97.02962	1.6
99.00899	1.3
101.02443	19.4
111.04524	1.3
113.02450	58.6
114.02805	2.0
115.07716	0.5
119.03500	16.9
123.04549	1.2
125.02486	0.7
127.03967	0.5
131.03499	2.1
137.02495	0.6
143.03481	3.5
149.04594	1.7
159.03094	0.8
161.04561	10.6
179.05615	14.7
179.07140	0.7
191.05731	0.9
229.08751	1.1
269.10428	1.3
277.12924	10.0
278.13260	0.8
288.16025	2.8
291.17926	0.6
294.17169	3.5
331.17670	1.5
338.32529	0.5
391.15573	0.5
391.19632	5.2
392.20645	9.5
392.24365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03444	2.1
59.01377	100.0
60.01720	1.2
61.98803	0.4
69.03468	0.7
69.53796	1.2
71.01379	23.1
72.99298	0.7
73.02946	14.3
74.67028	0.4
75.00862	0.8
83.01383	3.7
85.02950	9.1
87.00871	4.4
89.02441	9.2
89.02937	0.7
90.02080	0.4
93.03474	1.2
95.01413	1.6
97.02967	1.2
99.00869	2.5
99.08121	0.5
101.02443	18.7
102.02821	0.5
111.00874	6.2
112.01685	0.7
113.02457	9.7
119.03472	2.9
123.04520	0.5
125.02468	0.6
127.07690	1.7
127.11314	0.6
129.01981	0.7
131.03491	0.5
135.04549	1.0
141.01982	1.1
141.09222	7.3
143.03528	1.8
143.10765	9.8
144.11121	0.6
153.12907	0.7
159.03024	1.3
161.04552	9.5
167.10797	1.0
171.30937	0.4
173.04590	1.1
179.03471	0.7
179.05573	0.5
185.11852	0.6
187.09746	0.4
187.13481	1.1
189.14943	2.0
191.05624	2.6
227.13019	0.5
271.15659	0.5
283.15598	0.6
301.16693	1.5
314.28207	0.5
329.48181	0.4
331.17599	5.1
332.18079	0.6
349.18658	19.8
350.19104	1.6
391.15469	0.5
391.19647	4.7
392.20410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75115	0.4
52.68755	0.4
55.01871	2.0
57.03447	1.6
59.01376	100.0
60.01705	0.7
69.03448	0.7
69.13478	1.2
69.13895	1.7
71.01378	34.0
72.99316	1.2
73.02943	20.5
75.00875	1.2
81.03496	0.6
83.01395	5.4
85.02945	13.1
87.00867	10.6
87.04544	0.6
89.02437	11.4
95.01379	2.6
97.02928	1.0
99.00886	3.3
101.02440	25.9
111.00913	1.9
113.02446	12.4
114.81054	0.4
119.03511	3.8
121.53090	0.5
125.02452	0.9
129.01962	0.8
131.03508	0.6
135.31058	0.5
141.01945	0.7
141.09218	11.9
143.03540	1.6
143.10779	13.4
151.88135	0.5
153.12883	0.9
159.03011	2.1
161.04555	13.1
167.10765	1.4
171.13937	0.5
179.05574	1.2
187.09869	0.5
187.13428	1.3
191.05676	0.5
203.05664	1.0
259.15594	1.2
301.16754	1.3
331.17590	9.9
332.17743	0.7
349.18655	33.2
350.18964	2.8
391.15945	1.7
391.20175	2.5
391.23871	0.6
392.20660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03433	1.4
59.01378	100.0
59.09162	0.3
60.01711	1.3
68.99828	0.4
69.03473	0.8
71.01383	29.5
71.43584	0.3
72.01730	0.3
72.99318	0.5
73.02945	18.1
75.00869	0.6
81.03441	0.3
83.01390	5.5
83.63784	0.2
85.02952	11.3
86.00050	0.5
87.00876	8.5
87.04538	0.6
89.02444	9.9
90.02799	0.3
90.53472	0.3
90.77637	0.2
93.03461	0.4
95.01394	2.2
97.02950	1.4
99.00883	3.1
101.02441	22.4
102.02816	0.5
109.02973	0.5
111.00884	6.8
113.02451	11.0
114.02792	0.4
115.04012	0.4
115.07652	1.0
119.03504	3.6
119.04292	0.3
119.09929	0.3
125.02517	0.6
125.06074	0.3
127.03983	0.3
127.11348	0.4
129.01945	0.8
131.03506	0.8
141.01945	1.7
141.09215	11.0
142.09575	0.5
143.03493	1.7
143.10770	11.1
144.11174	0.5
149.04608	0.4
153.12871	0.7
155.03548	0.3
159.03024	1.2
161.03224	0.6
161.04552	11.3
167.10831	0.7
179.05682	0.8
185.05618	0.3
185.11928	0.4
187.09909	0.4
187.13318	1.2
189.15019	1.0
203.05664	1.1
230.35985	0.3
259.15622	1.0
271.15549	0.5
283.15649	0.5
301.16492	1.5
331.17609	6.2
332.18201	0.5
349.18655	28.8
350.18954	2.1
391.19669	3.4
392.20413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01378	100.0
60.01727	1.1
61.98826	2.4
69.40326	2.3
69.40730	1.7
71.01385	7.5
73.02953	2.6
73.04060	0.9
83.01383	1.7
85.02948	3.9
87.00877	1.2
89.02435	6.4
95.05025	1.0
96.60117	0.7
98.22741	1.2
99.00870	1.3
100.35754	0.7
101.02430	5.1
105.02593	0.9
106.06630	1.1
113.02448	5.7
119.03537	2.3
122.06158	2.6
129.10341	0.7
130.08740	11.0
131.03499	0.8
134.03708	1.2
135.04556	1.0
143.03519	0.8
147.04549	1.9
150.05569	1.1
161.02463	0.8
161.04547	6.5
164.07176	4.2
164.16641	0.8
165.06749	1.2
170.15543	2.4
179.05681	2.1
185.16530	0.8
191.05592	3.9
206.06558	1.0
213.02129	0.8
214.14496	0.9
225.03564	1.0
229.15645	2.4
241.01306	1.6
263.20032	0.7
271.16632	12.0
283.11227	0.8
301.17657	2.1
331.17654	5.1
347.10663	1.8
347.22333	1.8
356.25531	3.6
359.20474	0.9
368.61172	0.8
373.08914	1.5
391.05084	1.4
391.09775	3.1
391.20190	7.5
391.23862	2.7
392.14893	0.7
392.20724	2.3
392.24811	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	0.5
70.91222	0.4
71.01383	4.6
73.02966	1.0
83.05012	0.6
85.02979	1.3
89.02451	6.6
101.02433	2.6
105.51308	0.4
113.02448	2.5
119.03516	3.4
123.04575	0.5
129.34547	0.6
134.03773	0.7
141.80330	0.4
143.03534	0.6
150.03218	0.9
159.03081	0.5
161.04636	1.5
165.05644	0.7
169.06680	0.9
179.05658	1.3
211.07634	17.5
212.08122	1.3
271.16751	1.0
301.17932	0.5
304.04752	0.4
331.17715	1.9
347.24423	1.5
391.19278	1.2
391.24084	2.7
392.24744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94210	0.3
59.01377	100.0
60.01711	1.4
61.98832	3.9
68.24664	0.3
69.34355	1.1
71.01376	4.2
73.02941	1.5
83.01396	0.5
84.95118	0.6
85.02951	1.5
88.04071	0.3
89.02443	3.0
93.03477	0.5
95.01432	0.4
98.22650	0.6
101.02439	2.1
102.97160	0.4
113.02432	1.9
115.00387	0.5
119.03503	1.6
129.10378	1.2
137.02390	0.4
146.06119	0.4
150.03200	0.4
161.04587	2.6
179.05713	0.7
202.90639	0.4
276.17032	0.6
277.15637	0.5
317.19540	0.5
320.11859	0.4
331.17587	3.2
349.15027	0.4
357.13544	0.6
391.15805	1.3
391.19797	2.1
391.23578	0.8
392.18207	0.8
392.23126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11921	1.0
59.01374	6.0
59.96872	1.1
64.72519	0.9
73.46896	0.9
89.67110	0.9
93.03495	3.6
102.41756	1.1
106.04254	12.9
107.05029	14.7
107.05621	1.4
109.02924	4.9
121.02999	4.9
134.50308	1.1
138.03299	1.4
139.04034	2.3
150.03235	9.4
151.04013	6.3
165.89445	1.0
167.03508	10.3
168.04242	1.3
191.07248	1.2
237.11523	1.6
333.20679	20.6
333.24185	1.6
334.21472	100.0
335.21786	9.3
376.22540	10.1
391.24799	7.6
391.28745	75.7
392.28973	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	391.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28906	33.3
59.01371	100.0
59.55512	27.5
66.10418	30.6
70.63751	30.7
70.64085	45.9
75.68542	30.2
80.68576	27.6
96.35354	26.9
98.21987	35.6
163.00644	35.3
234.22380	32.3
255.23264	52.9
353.47754	33.0
370.34070	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	391.262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98830	10.6
59.01351	29.6
61.98827	20.5
64.62401	10.7
69.39037	59.5
72.88982	12.5
98.22575	26.5
116.92854	18.9
192.22076	11.2
213.08772	12.6
255.23349	64.5
333.20618	100.0
334.21393	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.98827	100.0
66.50668	0.8
67.92755	0.7
71.43694	0.9
86.04982	0.8
91.60548	0.7
93.62086	0.7
130.55447	0.9
175.09735	1.0
192.84862	0.8
272.30078	1.1
311.11050	0.7
391.21170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99504	0.5
59.01375	2.1
61.98828	100.0
69.28297	3.2
70.85755	0.5
71.01397	1.0
73.02924	0.6
80.50011	0.6
82.06583	0.6
85.77714	0.6
87.00914	0.9
88.04058	0.8
98.22617	1.3
115.03955	0.7
135.04564	1.1
136.04829	0.8
146.08099	0.8
179.03528	1.2
191.05638	0.8
217.00385	1.1
218.10249	0.9
292.19296	0.9
292.22549	0.7
294.13113	0.6
354.19284	1.8
392.04803	2.5
393.04547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	4.9
63.87974	1.9
66.03479	6.1
82.02988	9.7
100.04038	4.2
110.02476	40.4
111.01978	12.9
111.02734	2.0
122.02472	2.5
130.08653	3.0
140.03537	6.0
140.14331	2.1
148.04378	73.1
152.03532	8.2
153.03088	3.5
200.05658	19.8
243.06219	100.0
244.06543	6.7
287.93973	2.1
398.01828	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	392.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90859	0.2
57.71771	0.2
57.76886	0.2
59.01377	3.7
61.27076	0.2
61.98827	100.0
62.98535	0.3
64.80809	0.2
71.01395	0.9
73.02945	0.7
74.02472	0.5
78.95889	0.3
85.02958	0.2
89.02457	0.7
93.03434	0.4
98.02438	0.3
101.02457	0.9
113.02426	0.5
119.03506	0.3
151.03946	0.4
171.46553	0.2
279.10748	0.4
392.17050	0.3
392.22339	0.4
393.21622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30201	1.6
55.96748	1.9
59.01366	6.6
61.98816	2.5
67.82780	1.8
69.03454	4.3
70.64296	2.9
71.01365	7.6
71.05025	11.6
73.02960	2.0
85.02950	1.7
87.00847	4.4
88.04036	72.1
96.96001	1.9
97.02943	14.4
99.04496	3.7
101.06062	3.9
113.07220	5.3
128.03563	2.3
134.03746	2.4
135.04579	10.7
135.05447	1.9
136.04813	8.1
143.04576	5.7
146.08237	24.4
167.08131	2.2
173.04518	20.1
179.03427	4.9
180.03758	3.9
180.06625	2.0
191.05550	4.3
211.07216	2.8
217.99348	3.7
218.10307	100.0
219.10583	5.1
254.07713	2.1
272.08841	2.2
277.11902	13.5
291.17197	2.2
324.18253	4.0
328.00284	2.0
347.28635	2.2
392.04779	21.9
392.14893	7.4
393.04376	5.3
393.15317	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	392.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96179	2.1
57.03459	2.4
57.17359	2.3
59.01377	100.0
60.01708	3.6
61.98811	2.3
71.01376	40.7
72.01702	3.7
73.02935	7.1
83.01387	3.2
85.02943	11.9
87.00841	2.3
89.02448	48.1
95.01405	3.3
99.00851	3.2
99.92570	4.5
100.93372	3.5
101.02446	25.7
113.02454	25.5
115.04008	15.9
116.04361	6.0
116.92831	2.9
119.03507	17.3
124.15081	2.6
143.03525	4.1
145.45995	2.6
159.02925	2.3
161.04561	15.6
179.05644	19.2
191.05521	6.1
240.50755	2.5
270.66074	2.5
277.09302	5.3
278.09634	6.8
279.10681	8.7
302.91977	2.4
316.43420	3.0
332.18121	2.8
333.15555	3.6
349.18665	18.1
392.21100	3.7
393.17404	3.9
393.21631	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	392.2077
Annotation	Pulchellamine G
Peak:m/z	Relative Intensity
57.03447	67.5
59.01378	8.8
61.98820	3.3
67.79745	0.9
69.03099	1.0
69.03438	5.5
71.01366	1.8
72.28262	1.0
81.69928	0.8
85.02941	7.1
87.00871	6.8
89.02395	1.2
90.75974	0.9
96.04545	7.3
97.02949	19.5
101.02450	2.6
109.01705	1.4
109.03020	1.0
113.02438	8.9
119.04990	1.6
130.08698	1.6
131.03542	1.2
132.22388	0.9
137.06079	1.4
140.66164	0.9
146.57741	0.9
147.11800	2.9
148.07657	1.2
151.00313	1.8
151.74663	0.9
161.02431	2.3
161.04501	1.3
190.12390	5.1
191.05600	3.0
191.10724	1.6
200.09271	2.9
231.02919	3.1
241.51509	1.0
242.02003	1.1
242.15352	1.3
244.16992	3.5
252.12134	1.3
269.15317	1.1
271.06100	2.8
279.10873	1.9
279.14383	5.2
288.16055	31.6
288.19318	1.5
289.16318	2.4
294.17081	47.6
295.17444	2.7
348.22012	1.2
360.21017	1.3
374.19574	2.9
391.73785	0.9
392.20660	100.0
393.16043	1.7
393.20959	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	392.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08746	0.6
54.61557	0.6
57.03446	75.0
58.03774	0.9
59.01378	26.2
60.01702	2.7
69.03446	3.8
69.29802	2.4
70.62297	0.6
71.01382	4.4
73.02938	2.7
74.03285	0.6
85.02956	6.0
87.00870	7.9
89.02438	2.3
96.04541	5.3
97.02946	16.9
98.21855	1.4
101.02441	3.8
113.02429	6.6
119.03488	1.4
120.99680	3.8
122.06081	0.6
131.03499	1.2
131.79759	0.6
133.27803	0.6
137.06036	1.6
147.11807	2.1
148.07663	1.7
148.55786	0.5
161.04520	2.2
166.76886	0.7
180.01387	0.7
190.12369	5.7
191.05637	1.3
191.10776	1.5
200.09245	3.5
202.12277	0.7
216.53551	0.6
226.02127	0.6
230.15488	1.4
242.15561	0.9
244.16931	3.3
246.11322	1.0
252.12335	1.2
270.02115	4.5
272.14896	0.7
272.97379	0.6
278.12964	1.5
279.14499	2.5
288.16031	28.5
289.16339	1.8
294.17099	43.2
295.17484	4.0
334.49219	0.7
358.49512	0.7
374.19678	2.9
392.20746	100.0
393.16983	0.8
393.21198	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	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19620	0.5
59.01375	3.9
61.98828	100.0
62.06779	0.5
63.97194	0.5
68.48676	0.5
86.10612	0.5
89.04534	0.5
96.68876	0.5
109.50472	0.5
111.83340	0.6
200.48495	0.5
209.11920	0.6
216.05962	0.5
243.48019	0.6
284.34641	0.6
392.20679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.8
59.87367	1.0
61.98829	100.0
70.30605	1.6
74.00708	1.2
77.07298	0.9
83.20218	1.0
96.96037	5.2
98.22554	1.1
99.92590	6.8
115.92094	1.6
117.38093	1.0
118.39625	1.1
137.13109	1.1
262.11673	1.6
263.12158	4.0
292.19986	4.2
310.20987	3.1
332.19058	3.1
337.03867	1.3
374.11942	3.1
380.70459	1.1
393.17084	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	392.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43624	1.0
61.98829	100.0
70.04109	2.6
78.95870	2.3
118.89974	3.5
121.02949	1.9
235.09807	1.5
265.11880	1.0
329.23462	1.6
392.24246	1.4
393.13052	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	392.244
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
54.18428	0.4
57.03443	3.1
59.01380	4.1
69.03459	1.1
70.25132	0.9
71.01393	2.0
71.05023	2.0
73.02947	3.0
83.05082	0.6
85.02948	1.0
86.06099	0.7
87.00864	0.5
87.04520	1.6
89.02441	0.8
93.07086	0.7
96.00882	0.7
96.04527	1.1
97.02962	1.3
98.03732	4.6
99.04530	0.4
101.02456	1.7
110.06123	1.4
113.02453	1.3
113.03577	0.6
114.05596	1.3
115.04034	0.9
129.10323	0.5
130.08745	4.8
137.06061	3.8
148.07635	0.5
161.04605	0.7
199.18175	1.1
208.17149	0.7
210.66272	0.5
218.15565	0.6
221.14188	0.9
225.15981	0.5
234.15056	0.7
236.16531	5.2
237.17090	0.4
276.19684	0.8
279.14465	1.9
286.25476	0.6
288.16150	0.6
288.84601	0.5
294.17065	1.9
302.24826	1.1
312.23154	0.5
312.26627	0.9
330.24368	11.5
331.24826	1.1
346.23920	1.6
348.25388	1.7
356.22128	0.6
356.25620	5.4
357.25735	1.1
367.83163	0.4
374.18274	0.6
374.23331	12.7
375.23679	1.5
390.22739	0.7
392.24448	100.0
393.21320	1.7
393.25119	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	392.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
58.02986	0.6
59.01377	6.5
61.98823	1.3
63.89616	0.4
65.80099	0.4
69.03448	0.8
71.01376	1.8
71.05003	2.0
73.02938	3.3
79.59252	0.4
83.05022	0.9
85.02937	0.9
87.04514	1.4
89.02432	0.8
93.03461	0.6
93.07077	0.8
96.04539	1.4
97.02943	1.3
97.06583	0.5
99.04538	0.6
100.04021	2.5
110.06128	1.1
111.04521	1.1
111.08149	0.5
114.05637	0.9
116.60361	0.4
124.19178	0.4
125.05972	0.5
129.10330	0.9
130.08731	4.7
133.02919	0.7
137.06097	2.8
139.07625	0.4
140.07268	0.4
161.02434	0.6
164.07144	0.7
166.08667	0.8
173.04474	0.5
173.32803	0.4
184.09770	0.5
199.18188	1.0
199.30734	0.5
208.17094	0.6
214.04689	0.5
218.15489	0.6
221.14220	0.6
225.16072	0.9
234.15036	0.7
236.16562	4.5
237.12498	1.6
273.20752	0.5
276.19568	0.8
286.25293	0.7
302.24860	0.9
330.24390	10.4
331.24872	0.8
346.23999	1.1
348.25381	2.1
356.22131	0.6
356.25644	5.5
357.14532	2.2
357.25690	1.0
374.18124	0.8
374.23300	13.7
375.23843	1.3
392.24414	100.0
393.19861	0.8
393.24689	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	393.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37374	17.5
59.01379	97.3
61.98830	100.0
63.44675	17.6
63.76702	16.0
98.22649	60.3
100.75824	19.5
104.60918	24.2
109.02934	18.6
125.09758	95.2
135.50581	16.6
137.02463	87.3
167.07228	22.2
175.04044	23.6
187.09766	57.8
201.11296	84.3
217.05063	23.2
223.73534	18.0
225.11288	19.1
242.31772	20.2
243.12399	42.0
331.75238	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57135	0.5
58.44727	0.5
60.99725	0.6
61.98829	3.8
67.32468	0.5
69.65326	1.9
78.95901	0.8
98.22551	1.1
99.92579	4.2
100.93360	42.6
101.93369	1.9
115.92076	100.0
116.92086	5.4
116.92849	1.7
119.41289	0.6
132.92343	1.4
151.95879	0.6
293.21271	3.0
295.22043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01689	0.9
55.01866	1.3
57.01731	0.9
57.03431	1.2
58.00581	1.0
59.01377	100.0
60.01709	1.0
69.03444	2.3
71.01379	43.6
72.99316	1.2
76.77935	0.9
77.35038	0.8
83.01369	1.5
85.02955	7.9
87.00868	1.8
89.02443	53.9
95.01405	2.3
101.02444	27.5
104.27246	1.0
113.02445	26.2
119.03496	26.1
131.03493	2.7
143.03474	3.0
149.04532	2.1
161.04543	3.2
174.40521	0.9
178.67015	0.9
179.05588	4.8
180.05989	0.9
191.05592	0.9
251.70013	0.9
279.10846	84.1
280.11145	5.4
281.07462	0.9
393.17206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28175	0.6
59.01379	7.7
61.98817	1.1
62.53828	0.5
67.82344	0.5
71.01384	3.4
71.43445	0.6
85.02950	0.9
89.02441	2.4
92.35416	0.6
101.02428	1.5
113.02454	0.7
130.03345	1.0
130.04230	7.7
131.04588	0.9
132.05762	1.5
155.91544	0.5
158.03709	18.7
159.04112	0.7
162.03259	1.0
164.04839	0.7
169.06598	1.0
185.09749	3.4
187.11259	3.1
190.02679	1.7
198.06821	2.2
200.11877	0.5
213.09195	100.0
214.09534	7.9
227.10800	0.6
229.12402	1.0
231.10234	7.4
255.10190	4.0
267.52023	0.6
273.11432	1.3
310.65991	0.6
322.71112	0.6
333.13333	2.9
334.13925	0.6
348.31454	0.5
393.15509	7.2
394.15918	1.3
395.40414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28537	1.4
56.61443	1.5
59.01381	100.0
61.98821	6.1
69.20125	6.8
71.01363	4.2
73.02971	2.1
78.78409	1.4
79.95722	2.0
85.02933	2.7
98.22620	3.1
101.02459	3.6
113.02455	2.6
133.03105	1.6
149.19490	1.4
161.04597	1.8
167.85153	1.8
201.11346	3.2
225.45569	1.5
345.33261	1.5
357.09665	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	393.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29785	0.8
61.98806	0.7
73.38416	0.6
78.95906	1.0
83.89300	0.7
106.04247	28.1
107.04565	0.9
138.03215	2.9
143.37782	0.7
146.07231	0.7
150.03197	3.8
152.99606	1.6
161.09720	48.8
162.10043	3.1
182.02223	1.5
205.08694	100.0
206.09091	5.3
225.18527	0.9
279.21976	0.8
283.97260	0.7
301.12036	1.1
393.18265	1.4
414.23441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07804	0.4
59.01390	0.6
61.98827	2.8
70.91520	0.6
70.91860	0.7
80.02660	1.1
93.03449	0.8
96.96021	0.7
98.95602	0.6
99.92587	0.5
100.06197	0.4
100.41111	0.5
106.04247	5.7
108.02169	31.4
121.02946	1.2
122.03706	0.7
123.04522	56.6
124.04841	1.7
135.04538	0.8
138.03165	0.8
148.05305	34.9
149.05713	1.5
163.07631	2.5
180.04288	0.5
218.54373	0.5
224.04805	1.1
225.05518	1.4
227.07166	0.8
237.09190	1.3
238.06273	1.2
239.07133	16.2
240.07561	2.0
241.08720	1.5
253.08752	4.0
254.05908	0.9
254.09126	0.5
255.10378	0.5
269.11826	100.0
270.12173	8.5
311.10782	3.0
314.09567	1.4
327.10260	1.0
329.11813	12.0
330.12180	1.4
343.09647	1.8
345.11124	0.7
361.10544	1.4
361.14441	18.8
362.14804	2.2
393.17081	31.4
394.17352	3.2
406.07999	0.5
416.07220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75586	0.6
56.98987	0.6
59.01380	100.0
60.01720	1.2
61.98840	2.0
69.55913	2.2
71.56694	0.6
98.21899	0.9
110.60611	0.7
111.41320	0.7
112.89956	0.6
124.94269	0.7
127.46853	0.7
137.30460	0.6
161.02512	1.0
228.11197	0.7
368.33429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14196	0.4
55.01889	0.8
57.03450	1.0
57.72572	0.5
59.01378	100.0
60.01719	1.2
61.98829	0.9
62.26869	0.5
69.70400	1.3
69.70794	1.1
71.01382	14.7
71.05020	0.6
72.99337	0.9
73.02946	9.8
74.99106	0.5
81.03456	0.8
81.59783	0.6
83.01403	2.6
83.05042	2.1
85.02953	6.2
85.80971	0.5
87.00892	2.0
89.02444	8.8
93.03469	1.7
94.41703	0.5
95.01405	1.0
96.95975	0.6
97.06557	1.0
99.00888	1.0
101.02441	15.2
109.02988	0.9
111.00878	0.7
111.04534	0.5
113.02441	9.5
118.98075	1.4
119.03512	4.3
119.04987	0.7
125.02473	1.1
125.06174	0.9
128.10211	0.6
135.04523	1.3
137.02461	0.6
143.03519	1.4
149.04630	0.7
159.04431	0.7
161.04573	6.7
163.04088	0.8
163.11270	0.8
165.12833	0.9
165.25377	0.6
166.97185	0.5
173.04601	3.0
179.05714	1.1
189.12944	0.9
189.15002	2.5
191.05580	4.0
192.63217	0.7
209.11830	48.4
210.12248	3.2
227.12973	2.0
279.14551	5.0
325.99805	0.6
333.19360	2.7
351.20203	9.0
352.20514	0.7
393.16666	1.2
393.21472	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	393.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15443	0.4
50.70654	0.5
53.99291	0.4
59.01371	0.7
61.98828	100.0
69.60955	2.1
80.31673	0.4
81.78985	0.4
96.96012	1.2
98.21835	0.9
103.33871	0.5
156.16815	0.5
158.10159	0.5
218.70741	0.6
295.22717	0.6
393.27109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2644
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
58.63330	0.5
59.01350	0.6
59.03889	0.5
61.98809	2.0
62.89491	0.5
70.43536	0.7
70.43876	0.5
83.01381	0.6
86.49316	0.5
95.01377	0.7
107.01374	0.9
107.04984	0.5
108.01463	0.9
108.02177	16.2
109.02959	17.7
110.03333	0.6
111.00868	4.1
123.00882	1.7
124.01648	2.3
134.72520	0.5
139.00356	0.8
149.09700	1.7
152.01138	5.3
153.01936	9.7
163.56227	0.5
187.68068	0.5
196.81245	0.5
281.97202	0.6
311.16858	0.8
311.20221	1.9
374.32178	0.5
393.26440	100.0
394.26767	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	394.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50270	0.2
59.01355	0.9
59.77975	0.2
61.98823	0.7
63.60071	0.2
98.21864	0.4
118.02998	0.4
118.06658	0.3
131.03745	1.7
144.04532	5.6
145.05133	0.2
146.06111	100.0
147.06461	4.2
180.48759	0.2
188.03682	0.2
188.07123	0.2
190.05084	14.3
191.05515	1.4
350.12479	0.3
350.33701	0.2
352.10196	0.3
394.11313	1.7
395.11554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53898	1.0
59.01380	100.0
59.68226	1.1
60.01708	1.8
61.98828	1.3
71.01380	3.9
71.05026	1.9
71.30267	1.1
71.41370	1.6
72.61258	1.1
74.02473	3.3
75.00845	1.3
78.36618	1.3
107.61642	1.1
113.02448	1.2
121.02982	3.8
128.03555	1.9
136.98531	1.7
137.06119	1.6
153.05573	4.8
157.80289	1.4
163.04033	1.4
163.19212	1.1
166.08667	2.0
173.04570	1.9
184.09793	12.2
185.10069	1.5
189.36632	1.3
191.05605	3.3
197.04570	13.5
237.72215	1.2
258.51749	1.1
272.16589	2.3
279.06845	1.1
290.17725	2.1
316.15561	3.2
334.12955	2.4
334.16568	20.1
359.12448	1.9
384.68491	1.2
394.18246	1.9
394.24841	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	394.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	23.3
61.98827	21.1
69.07952	32.4
69.08329	100.0
71.01381	44.4
78.09304	15.7
99.92583	33.7
101.92175	15.2
119.90545	15.5
130.05080	17.7
139.58034	14.4
158.31613	17.6
188.00569	17.0
312.22607	59.9
334.20715	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62983	20.5
59.01371	22.5
69.55487	88.9
78.95882	65.2
98.21921	44.6
123.27600	27.1
152.99580	100.0
167.26033	23.3
309.17615	31.9
348.78302	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20351	100.0
69.20770	51.7
70.26186	23.3
75.51521	21.9
86.43436	23.2
98.21864	46.0
98.22542	86.8
105.72900	27.3
317.07489	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2594
Annotation	Saliniketal A
Peak:m/z	Relative Intensity
59.01385	5.1
61.98830	22.5
65.36543	0.6
67.86109	0.6
69.03438	1.0
71.01379	1.2
71.05016	2.6
73.02943	5.1
85.02972	0.9
85.06599	1.6
87.00883	1.2
87.04498	1.4
93.03425	3.3
95.04980	0.8
98.03716	3.6
111.04532	1.8
119.03509	0.7
121.02922	0.8
125.04929	0.7
129.05615	0.7
137.02483	0.8
148.05299	0.7
153.01982	1.5
168.04283	0.8
173.04568	7.8
177.09221	1.3
189.09184	3.3
191.05649	1.7
221.08224	0.9
236.16577	1.6
271.53168	0.6
290.21158	1.1
304.26822	0.7
306.20605	0.8
314.24966	1.6
332.25833	7.8
333.26147	1.0
348.25430	1.0
350.27060	4.7
351.26785	0.8
358.23849	9.7
359.24118	1.7
376.05688	0.7
376.24933	13.4
377.25272	1.7
392.24423	1.8
394.25958	100.0
395.13376	1.5
395.17743	1.7
395.26315	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	394.2598
Annotation	Saliniketal A
Peak:m/z	Relative Intensity
57.03456	0.2
59.01386	1.3
59.35641	0.2
61.98819	1.5
67.57626	0.2
69.03468	0.3
69.29605	1.2
71.01381	0.3
71.05007	1.8
73.02957	1.8
74.02477	0.6
85.02957	0.4
85.06580	0.3
86.06139	0.3
87.04507	1.5
89.02464	0.2
93.03487	0.3
95.05036	0.5
96.04541	0.4
97.02951	0.6
97.06588	0.4
98.03740	9.4
98.22614	0.4
101.02447	0.3
107.57188	0.2
111.08162	0.3
113.02451	0.4
114.05603	0.3
118.02984	0.9
121.06588	0.5
139.07637	0.3
152.34410	0.2
189.07025	0.3
191.05614	0.5
195.24013	0.2
199.29395	0.2
218.15575	0.3
234.14955	0.5
236.16600	0.5
278.21133	0.3
288.26917	1.0
304.26456	1.0
314.24850	2.3
330.24295	1.0
332.25934	9.0
333.26117	1.2
348.25348	0.7
350.26956	0.3
358.19421	0.5
358.23843	9.6
359.24265	1.1
374.23215	0.4
376.24921	17.8
377.25156	1.7
392.24512	1.3
394.25970	100.0
395.26297	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	394.9793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.6
55.03764	0.7
62.25690	0.6
69.45414	3.0
71.01395	1.0
71.05016	6.1
85.02972	0.6
87.04510	3.8
90.97142	1.8
113.02434	1.6
115.04012	60.7
116.04408	1.4
117.09000	0.7
130.96609	0.7
135.04506	0.7
144.98123	0.7
158.99727	2.4
159.02986	100.0
160.03333	2.9
161.01314	0.8
168.98190	5.9
170.99736	8.1
186.99170	0.8
189.00824	1.2
189.09229	1.5
198.99210	0.9
199.00952	0.7
214.98726	24.3
217.00272	2.3
218.08972	0.7
227.02351	1.7
233.08153	0.7
252.94228	1.6
269.01443	0.8
269.60944	0.7
270.00699	1.6
270.95316	1.1
272.96884	0.9
282.98856	1.4
283.01593	1.2
294.99036	4.4
300.37927	0.7
320.96915	3.4
322.98520	2.3
338.97955	18.6
340.99524	10.3
350.97992	1.3
394.96964	31.5
395.09668	3.1
395.97278	2.6
399.53061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
60.01699	7.7
61.98822	49.1
67.10815	6.0
71.01382	37.2
73.02959	8.3
78.40833	6.9
85.02971	9.6
87.00874	21.1
87.85501	5.7
89.02413	35.4
90.02795	6.4
91.02863	6.0
101.02425	21.7
102.02762	6.1
103.89140	7.5
113.02442	30.1
121.60222	6.7
141.78897	5.6
146.06142	36.0
147.06427	26.9
153.65240	6.5
159.10257	12.2
161.04593	8.1
180.53021	5.9
191.05551	27.1
279.10925	16.2
280.11209	21.3
281.11407	41.3
303.14441	21.7
314.81915	6.9
321.15500	25.1
323.96820	6.2
329.98563	6.3
371.42099	7.2
395.11334	10.2
395.17538	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	395.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
61.98832	2.9
69.54165	0.7
78.95894	1.2
84.93880	0.3
98.21864	0.3
99.92578	3.9
100.93361	49.4
101.93372	2.5
110.92036	0.2
110.98510	0.5
112.77888	0.2
115.92074	100.0
116.92085	4.4
116.92862	1.7
117.92513	0.3
120.00996	0.2
120.01874	0.2
132.92377	1.4
134.44717	0.2
149.09702	0.3
163.11282	3.1
201.07559	0.2
219.10159	1.2
219.13824	0.5
251.73709	0.2
271.28195	0.2
295.22791	2.0
295.83289	0.2
297.23383	0.4
377.14328	0.5
395.22281	2.1
395.25955	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14066	0.8
55.01871	3.0
57.03446	2.5
59.01377	79.1
60.01712	0.9
69.03460	2.3
71.01379	48.3
72.01712	0.9
72.99291	1.6
73.02950	12.8
75.00875	3.3
77.72437	0.8
79.80994	0.7
83.01369	6.0
83.05039	1.0
85.02953	19.6
87.00887	3.4
87.04515	1.5
89.02441	27.5
95.01382	4.1
97.02988	1.2
99.00887	4.2
99.04492	1.2
101.02439	38.4
102.02784	1.4
111.00858	1.1
113.02451	29.4
115.00357	1.7
115.92063	1.3
117.05602	1.0
119.03493	10.3
119.07151	5.3
121.02959	5.0
125.02449	1.2
131.03456	1.1
136.98567	1.1
143.03473	4.2
149.04535	1.0
153.05589	3.1
159.02986	3.9
161.04550	26.0
167.03514	1.5
173.04509	0.9
177.05501	1.2
179.05528	4.3
191.05591	1.4
193.72865	0.9
197.04538	11.9
233.08247	1.1
281.12424	100.0
282.12750	6.3
335.17188	2.5
349.18652	4.1
395.15002	2.2
395.19116	5.7
395.23187	2.3
396.19159	1.4
419.05869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18402	2.8
52.88310	2.7
56.30417	2.9
59.01381	100.0
61.21592	3.1
71.01384	26.6
73.02950	69.7
83.01394	11.4
83.38026	2.7
85.02966	4.1
89.02451	9.8
101.02435	39.4
103.90279	3.1
113.02444	11.7
119.03497	4.6
149.04549	3.5
157.06636	3.5
161.04530	5.9
173.09720	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	395.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
69.58942	1.4
77.19816	0.4
79.05531	1.1
81.03448	0.8
104.02682	1.7
105.72952	0.4
118.04257	0.8
129.07088	0.8
130.04227	3.1
143.35805	0.4
145.10252	2.4
155.08665	1.3
157.06564	5.9
158.07375	1.2
171.08160	0.8
173.09720	5.5
191.10779	100.0
192.11096	6.8
395.26212	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	395.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
59.01377	100.0
60.01714	0.9
61.98819	1.5
63.69717	0.5
69.29853	2.6
71.01379	3.8
73.02958	1.5
85.02962	1.7
89.02451	2.7
96.96019	0.7
101.02443	2.3
113.02475	1.4
119.03536	1.0
161.04590	1.0
179.05594	0.6
182.04466	0.6
191.05574	0.5
224.63383	0.5
248.99167	0.5
308.32959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40393	0.9
59.01370	6.2
61.98826	18.3
67.08419	0.8
71.05008	1.4
72.30121	0.8
80.91710	1.5
88.77803	1.0
99.08148	2.0
99.92572	3.0
101.69688	0.8
116.92845	1.4
127.11283	1.1
139.11304	1.7
141.12831	1.8
154.38789	0.7
169.16017	0.9
169.99727	0.8
197.15407	1.0
207.10027	2.1
235.07761	1.0
235.13115	2.0
236.13310	0.9
267.23483	0.9
293.21088	2.0
295.22699	4.8
311.22229	2.7
313.23831	100.0
314.24179	8.6
315.19205	1.2
317.20828	2.1
333.20544	6.6
335.22064	36.3
336.22296	3.5
378.15063	1.5
395.24094	1.7
396.15927	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	396.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.51987	2.8
67.94695	2.6
69.43702	12.7
69.66748	2.4
71.01383	50.9
85.02951	8.3
85.15459	2.7
85.16007	2.7
87.00877	2.9
89.02443	76.3
95.01408	2.9
101.02430	22.7
102.05362	2.7
113.02447	21.7
114.49362	2.8
116.27036	2.9
119.03481	36.6
131.03442	3.0
131.60297	2.4
143.03493	6.6
161.04541	9.3
179.05614	51.0
202.40697	2.7
331.08011	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	396.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94049	3.7
58.46250	3.1
59.01362	17.4
61.19842	3.6
61.98826	8.1
72.43339	3.8
76.88598	3.5
142.65732	4.2
173.04625	5.4
173.09663	4.0
187.93512	4.2
191.05640	6.0
191.10774	100.0
192.11165	4.1
235.09624	8.2
260.71707	4.7
273.89615	3.9
307.18997	4.0
355.13211	4.1
400.83316	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	396.1832
Annotation	Pallimamine
Peak:m/z	Relative Intensity
56.03362	0.5
57.03436	2.8
59.01115	0.9
59.01381	10.4
61.01019	5.0
61.98829	9.0
69.20402	1.4
69.20824	2.2
71.01365	1.8
73.02943	0.8
74.02481	0.7
83.05001	0.6
85.02954	1.0
87.00864	1.1
93.03432	0.9
96.37700	0.5
96.95981	1.5
98.02552	0.6
99.92553	0.9
101.02442	0.9
108.14966	0.6
109.15083	0.6
113.02415	1.3
116.92865	3.6
119.05012	0.9
121.02915	1.4
162.09343	0.6
169.08664	1.0
173.04636	0.7
191.07098	0.7
213.09442	0.7
217.08658	1.6
220.13406	1.6
235.06134	2.4
310.14673	4.3
378.17316	2.8
396.18344	100.0
397.18777	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	396.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00064	0.4
59.01374	1.2
61.98831	100.0
69.06419	1.9
69.06822	0.9
73.19025	0.4
75.61246	0.4
84.00918	1.9
117.00471	0.5
126.92259	0.4
141.68213	0.4
199.67953	0.4
199.94789	0.5
217.00493	0.5
222.08812	0.8
238.06093	0.6
285.07162	1.4
311.22272	2.8
333.20581	0.9
396.20013	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	396.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58181	0.5
53.71630	0.6
54.57429	0.6
59.01376	100.0
60.01703	0.9
69.98297	1.5
78.00805	0.4
79.35947	0.5
96.89012	0.6
103.26239	0.5
107.98151	0.5
118.23824	0.5
127.84166	0.5
172.80986	0.6
172.92041	0.6
336.17975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	0.8
63.82509	0.4
70.48953	0.6
71.52337	0.4
73.02972	0.4
73.69095	0.4
109.55289	0.4
111.42505	0.4
114.26997	0.4
162.66409	0.4
223.06270	0.5
238.75415	0.4
263.08701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86449	0.5
59.01379	100.0
60.01712	1.6
69.98411	1.0
98.22019	0.7
100.90298	0.5
124.79783	0.5
167.68365	0.4
225.55463	0.5
242.08171	0.5
336.18387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66255	0.4
56.66496	0.4
59.01371	0.9
61.98822	1.2
65.90127	0.5
71.43400	0.4
78.95900	16.6
107.57947	0.5
109.52695	0.4
122.00095	0.7
140.01205	4.4
152.99532	0.9
182.28424	0.5
196.03815	8.9
199.17023	100.0
200.17342	5.1
214.04793	1.8
217.00401	0.5
298.63983	0.4
396.21533	21.4
397.21933	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	396.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81496	25.7
64.97221	25.9
70.85899	49.6
87.16094	30.4
91.42248	33.8
96.96003	91.0
99.92597	54.9
106.77541	26.6
118.89974	100.0
137.12636	28.9
147.48309	30.7
173.27011	29.9
313.90259	28.2
396.11392	45.2
397.22568	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08087	35.6
65.43804	27.7
69.50786	100.0
120.83720	30.8
249.15097	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
59.01384	6.3
60.99301	0.9
61.98816	2.6
67.01888	5.4
69.03439	1.7
69.38079	2.5
71.01377	4.0
73.02953	1.5
81.03454	1.3
83.05019	1.1
85.02959	2.6
85.06562	0.6
87.00864	1.7
88.98805	0.8
89.02460	0.6
93.03458	33.9
94.03790	0.7
94.16463	0.6
106.24437	0.5
108.02186	0.5
109.02976	1.3
111.00898	1.5
111.04539	6.1
112.03981	0.7
113.02461	1.8
121.02960	6.8
122.03736	1.1
127.04017	0.8
132.05788	2.3
134.03778	1.0
135.04494	0.6
137.02454	3.5
147.04517	1.6
147.08170	2.0
149.02441	18.0
149.06088	0.9
150.02827	0.7
153.94939	0.5
154.11546	0.6
155.03484	5.1
159.04474	1.0
159.08122	1.9
162.06856	2.0
163.03955	0.7
163.07632	8.8
164.04799	14.4
173.04550	100.0
173.09688	11.3
174.04941	3.2
174.06810	1.6
175.07635	10.5
177.09129	0.7
179.07120	0.6
189.09215	0.7
189.29276	0.5
191.05615	28.4
191.10782	11.1
192.06139	1.1
192.07915	5.9
192.10986	0.5
193.08699	20.8
194.09109	0.9
205.08763	1.7
217.08652	2.5
223.06105	17.2
224.06448	1.1
235.09744	6.8
288.16190	0.6
302.60403	0.5
310.18503	1.8
335.20596	1.0
337.12909	0.8
353.21530	1.9
354.18964	0.7
379.14020	1.5
396.20212	1.3
397.11633	1.5
397.15063	12.9
397.20578	7.6
398.21762	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	397.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15643	0.4
57.03434	1.2
59.01378	2.8
60.99292	0.5
61.98822	1.2
67.01891	5.2
69.03453	1.2
69.14269	2.5
71.01386	3.2
81.03448	1.0
83.05025	1.2
85.02940	0.8
93.03457	25.4
94.03769	0.9
109.02928	0.9
111.00921	0.8
111.04515	4.8
113.02430	0.8
121.02946	2.1
127.03971	0.7
137.02428	4.6
147.04549	1.1
149.02443	15.2
150.02711	0.6
155.03517	4.5
158.52676	0.4
164.04796	10.1
173.04543	100.0
174.04887	3.5
179.07068	0.6
191.05540	0.7
208.03767	0.6
223.06099	14.1
223.91095	0.4
224.06445	0.7
348.84647	0.4
350.34689	0.5
371.93262	0.4
392.32880	0.4
397.11334	1.6
413.95227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
57.03445	0.3
59.01378	4.9
60.01714	0.5
61.98826	0.3
62.12854	0.2
65.00314	0.2
69.18426	0.8
71.01384	0.4
73.02950	0.5
77.85756	0.2
78.01115	0.2
78.95885	0.3
81.03442	0.5
83.05026	0.8
83.64688	0.2
85.02948	0.6
87.00845	0.5
89.03951	0.4
91.05540	0.7
93.03452	3.1
96.96972	0.2
104.02682	0.4
111.04517	3.5
112.04919	0.2
117.03454	1.2
119.05016	1.0
121.02953	8.8
122.03306	0.4
127.04023	0.4
129.01949	0.3
132.02153	1.5
135.04517	0.7
137.02451	0.3
146.03770	0.2
147.04526	5.3
149.02437	71.1
150.02779	2.7
155.03508	3.2
163.04056	0.6
164.04788	53.4
165.05133	2.4
170.11807	0.2
172.35268	0.2
173.04543	5.9
174.04967	0.2
179.07132	4.0
180.07526	0.2
191.05605	5.3
192.05978	0.2
193.08601	0.2
208.03780	0.3
223.06102	100.0
224.06429	5.8
224.14752	0.3
236.16475	0.3
276.19437	0.4
310.18454	3.6
311.18616	0.3
397.11304	7.6
397.21680	0.8
398.11719	0.5
398.21500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12100	0.4
57.03425	0.9
59.01377	9.4
61.98830	22.0
64.82451	0.4
69.03458	0.9
69.27519	1.6
69.27928	0.8
71.01379	4.9
73.02944	2.2
81.65607	0.4
83.01367	0.9
84.36593	0.4
85.02977	2.7
89.02451	1.3
92.02674	1.8
93.03457	52.7
94.03791	1.5
95.01373	0.6
98.22660	1.0
99.00864	0.9
101.02434	5.3
108.02151	2.2
113.02456	4.6
116.92850	0.5
119.05036	0.6
120.02171	1.8
121.02949	2.0
122.34916	0.4
125.95814	0.5
130.04216	0.7
131.05043	1.5
135.04558	0.7
137.02423	0.5
143.05002	1.9
145.06592	22.4
146.06924	1.0
149.06064	1.8
153.05614	0.9
161.04549	2.7
163.03958	0.8
163.07700	4.0
164.07964	0.5
173.04601	1.0
173.06068	11.7
174.06462	0.7
191.07137	100.0
192.07487	6.0
217.08696	0.7
235.06131	1.0
235.11871	3.0
249.13414	0.8
353.12418	1.7
389.03113	0.4
397.17340	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	397.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
61.98817	0.7
69.22213	1.2
71.01392	0.4
78.78189	0.3
88.36544	0.3
92.02657	0.3
93.03455	0.4
95.77238	0.3
96.89654	0.3
107.05067	0.3
113.02454	1.1
121.02952	100.0
122.03290	3.3
138.70734	0.3
235.09695	0.5
331.15451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03440	1.0
59.01376	46.0
62.71600	0.9
71.01379	30.7
71.24304	1.2
73.02940	6.6
83.01366	1.9
85.02950	9.3
87.00893	1.7
89.02441	30.3
95.01343	2.0
99.00861	1.6
101.02436	25.9
113.02444	15.0
119.03490	9.4
121.05072	18.4
131.03505	1.6
143.03471	2.5
147.44606	0.9
159.02919	0.9
161.04576	10.6
179.05579	7.4
283.10327	100.0
284.10727	5.7
356.23386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11753	0.6
53.51752	0.5
57.62519	0.5
59.01375	100.0
60.01702	1.1
61.98812	2.6
69.34885	1.4
69.35272	1.1
71.01380	2.4
85.02947	1.2
98.21889	1.0
106.29873	0.5
113.02499	0.7
166.33327	0.6
213.52446	0.5
244.83656	0.5
297.41632	0.5
397.22034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.53771	0.7
61.98827	4.3
68.55350	0.7
69.03455	11.4
71.01378	29.9
72.99297	1.1
73.02940	1.1
73.45374	0.8
79.16008	0.7
85.02943	5.7
87.00864	1.8
88.61217	0.8
89.02443	45.8
95.01424	1.6
98.00120	1.1
101.02435	13.9
102.02766	0.9
113.02446	81.1
114.02800	1.7
119.03496	14.7
124.28873	0.7
125.02415	0.9
131.03537	2.7
133.06593	8.1
143.03490	4.2
149.04591	1.3
161.04564	3.9
179.05626	8.6
180.06207	0.7
183.10257	0.8
191.05692	0.8
211.97400	0.7
356.72546	1.0
397.23148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74664	0.2
59.01367	1.4
69.12778	1.7
71.01358	0.3
85.02934	0.3
93.03462	0.4
113.02438	0.7
118.24072	0.2
121.02939	2.4
133.02939	0.8
135.04489	0.4
147.24820	0.2
161.06071	0.4
165.01939	0.7
175.07623	2.1
176.08421	17.7
177.01949	0.5
177.08760	1.0
179.03438	0.6
180.04158	0.2
191.05627	0.4
191.10776	7.4
192.11040	0.5
203.07080	0.5
205.05045	0.5
219.06628	2.5
220.07393	33.1
221.07642	1.9
235.09746	100.0
236.10068	6.5
277.10654	0.5
395.75616	0.3
397.14804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01382	8.0
59.24388	0.6
60.99314	1.4
61.98826	3.1
67.01891	6.7
69.03460	1.5
69.18729	3.5
71.01385	4.3
73.02949	1.6
81.03485	1.3
83.05003	1.8
85.02940	2.4
87.00871	3.8
88.98804	1.5
89.02489	0.6
93.03457	39.6
109.02936	1.2
111.00937	1.0
111.04523	8.0
113.02495	0.8
114.05573	1.0
121.02961	10.8
121.49271	0.7
122.03731	2.6
123.04519	1.2
126.35174	0.8
129.01894	0.7
132.05827	11.4
134.03719	1.6
135.04546	0.9
137.02434	4.4
147.04520	1.5
147.08125	2.1
149.02449	20.2
149.06105	1.1
150.03015	0.7
155.03506	4.9
159.04510	1.7
159.08168	1.5
161.06044	1.2
162.06894	3.8
163.07651	16.8
164.04790	16.0
165.34851	0.8
173.04552	100.0
173.09697	39.3
174.04904	3.6
174.06842	2.2
174.10056	1.9
175.07639	19.6
176.08006	1.7
177.09212	1.0
179.07172	1.3
191.05615	37.4
191.10770	33.9
192.06149	1.3
192.07909	10.4
192.11121	1.9
193.08685	38.3
194.09085	2.4
205.08670	2.4
217.08682	5.3
223.06108	17.0
235.09717	15.3
264.15936	0.7
310.18469	2.4
335.20386	0.8
336.22388	0.7
337.12958	0.9
353.21564	1.7
379.14053	1.4
380.20786	0.8
397.11057	2.4
397.15033	15.5
397.20535	5.0
398.15460	2.0
398.21783	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65922	0.5
54.13689	0.5
54.49375	0.5
59.01374	0.5
61.98823	3.7
64.90479	0.5
65.08768	0.6
69.77364	1.1
69.77753	1.2
78.86855	0.5
94.88449	0.5
96.00375	0.6
96.96025	1.2
99.92561	3.0
100.93356	45.9
101.93391	2.2
115.92068	100.0
116.92087	4.5
116.92850	2.4
118.03506	0.5
130.74518	0.5
132.92345	1.3
297.24338	1.7
315.11691	0.6
334.75464	0.6
339.20001	0.8
397.22614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46455	0.6
54.91887	0.6
55.01873	9.1
57.03450	5.0
59.01376	71.2
60.01711	0.7
61.98828	5.1
69.03463	1.4
69.27049	2.8
71.01379	81.8
72.01714	1.1
72.99313	1.9
73.02944	32.4
75.00867	1.2
83.01387	19.0
85.02946	37.1
87.00853	4.2
89.02442	22.8
89.03000	0.8
93.03447	1.3
93.13989	0.7
95.01374	5.2
97.02959	2.8
99.00884	10.5
99.92561	1.2
101.02438	100.0
102.02773	2.4
113.02447	38.2
116.92834	3.3
119.03483	7.2
121.02954	2.3
125.02451	2.6
129.01918	1.0
131.03508	1.9
143.03490	5.9
149.02559	0.7
153.05563	1.2
159.02982	6.8
161.04550	40.8
162.04977	0.8
163.04041	0.7
179.05585	2.7
184.09225	0.7
191.05611	1.1
197.04532	2.2
205.03531	0.9
223.02448	1.0
230.82126	0.7
235.11847	69.1
236.12138	3.5
263.07855	1.0
397.17123	59.5
398.17477	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	397.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71028	0.8
55.01875	9.1
57.03429	4.6
58.00598	0.8
59.01378	80.8
60.01683	0.9
61.98821	1.6
69.03458	2.4
69.07400	6.3
71.01379	72.0
71.05437	0.8
72.01701	1.2
72.28512	0.8
72.99310	1.1
73.02943	29.1
81.03451	1.0
83.01389	17.1
85.02948	38.4
87.00861	3.5
89.02439	19.7
89.10287	1.2
93.32089	0.8
95.01371	4.7
97.02918	3.1
99.00880	9.9
101.02439	100.0
102.02708	1.0
104.13392	1.0
113.02448	36.0
114.02738	1.4
116.92816	1.2
119.03492	8.3
121.02947	2.1
125.02431	2.4
129.01997	1.1
131.03476	1.2
137.02309	0.8
143.03494	5.1
159.02998	4.9
161.04562	31.7
162.04930	1.0
163.03946	1.6
166.53456	0.9
179.05609	3.8
197.04517	1.3
235.11847	63.0
236.12276	3.1
338.90060	0.9
345.52429	1.0
359.10022	1.1
397.17123	53.9
398.17429	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	397.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37447	1.1
51.10545	1.0
55.01874	9.3
57.03439	4.3
58.00573	1.1
59.01377	87.3
60.01699	1.2
61.98828	5.5
69.11808	1.2
70.26213	1.2
70.61884	1.8
71.01381	68.5
72.01722	1.8
72.99308	2.3
73.02945	24.8
83.01384	15.5
85.02946	36.7
87.00868	3.1
88.69981	1.0
89.02444	22.4
93.45113	1.1
95.01381	5.8
97.02959	2.7
99.00869	8.9
101.02441	100.0
102.02779	3.3
106.48505	1.1
112.21873	1.4
113.02448	33.6
114.02785	1.4
116.92859	4.5
118.70816	1.1
119.03477	9.1
121.02933	3.5
125.02483	1.7
125.90438	1.2
131.03537	1.4
143.03514	5.7
159.02954	5.9
161.04544	29.8
179.05620	2.7
234.61945	1.1
235.11861	71.0
236.12187	2.6
337.18555	2.6
397.13306	2.3
397.17105	64.0
398.17389	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	397.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.41366	0.5
60.01713	0.8
61.98824	1.2
69.46116	2.1
71.01379	3.9
73.02964	1.3
83.01405	0.7
85.02961	2.3
89.02457	1.5
101.02419	2.6
107.87925	0.5
113.02458	1.6
115.18390	0.6
117.86383	0.5
119.03550	0.8
161.04536	1.4
174.99353	0.5
217.00273	0.8
355.21057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.4
59.01368	4.4
61.98825	100.0
64.01907	4.1
64.87092	1.9
69.99794	5.1
71.01363	4.4
73.02930	3.0
75.86201	1.6
78.95875	3.4
85.02943	5.4
93.03462	12.2
101.02441	2.5
109.02934	2.7
111.04504	4.6
112.04002	2.9
113.02446	5.0
114.05607	5.1
116.07233	2.3
118.98108	4.1
120.00877	1.8
122.41182	1.5
123.04504	8.2
133.02953	3.6
134.03671	3.0
135.03465	3.7
135.04520	74.2
136.04831	4.0
137.02470	9.5
152.99593	2.1
161.02440	18.0
161.04547	3.8
169.64529	2.3
173.04523	2.5
179.03484	75.8
180.03893	2.9
181.66829	1.9
191.05606	26.7
206.00967	14.5
232.17084	1.9
249.09827	6.5
281.87555	1.8
294.16974	3.2
334.20410	2.6
335.07709	77.1
336.08118	5.2
354.16699	2.3
361.39377	2.0
380.20816	3.2
398.07431	3.3
398.21735	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	398.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17289	0.4
59.01378	5.6
61.98827	100.0
71.01379	3.4
73.02944	0.9
85.02977	1.5
86.57545	0.5
89.02451	1.7
90.02644	0.4
99.00918	0.5
101.02454	3.0
113.02449	3.9
114.05596	0.4
115.31120	0.5
121.02937	0.5
130.08792	0.9
133.49164	0.4
141.24788	0.5
152.44629	0.4
161.04570	2.2
179.05646	0.7
191.05670	1.7
221.10399	0.6
251.11372	7.9
374.41959	0.5
399.13013	1.0
399.26434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45445	0.4
59.01382	2.4
61.98829	100.0
67.20499	0.4
68.39235	0.3
69.30325	1.1
69.30728	0.7
71.01372	0.6
85.02935	0.8
93.03460	0.5
95.14780	0.4
96.84056	0.3
100.18414	0.3
104.36452	0.3
113.02455	0.9
130.34372	0.4
152.43263	0.4
152.90401	0.4
191.05611	0.4
221.10323	0.5
231.87196	0.4
248.14861	0.4
287.47733	0.3
353.78903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17289	0.4
59.01378	5.6
61.98827	100.0
71.01379	3.4
73.02944	0.9
85.02977	1.5
86.57545	0.5
89.02451	1.7
90.02644	0.4
99.00918	0.5
101.02454	3.0
113.02449	3.9
114.05596	0.4
115.31120	0.5
121.02937	0.5
130.08792	0.9
133.49164	0.4
141.24788	0.5
152.44629	0.4
161.04570	2.2
179.05646	0.7
191.05670	1.7
221.10399	0.6
251.11372	7.9
374.41959	0.5
399.13013	1.0
399.26434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.8
58.77485	1.0
59.01377	22.0
59.80913	0.9
61.98827	100.0
69.03448	1.2
70.49978	1.1
71.01377	2.1
73.02937	1.3
73.04057	1.7
79.59180	1.1
85.02965	1.7
87.04518	1.9
87.05634	8.9
93.03451	4.5
101.02425	1.3
101.68412	0.9
108.57773	0.8
110.02462	1.3
113.02444	3.3
115.08786	1.6
116.07162	0.8
121.02927	9.5
122.03288	3.3
123.04527	9.4
129.06697	11.1
130.08740	27.7
137.02408	5.9
138.86629	0.8
144.07755	2.6
155.08191	1.3
168.07813	1.1
168.09052	1.4
176.54051	0.8
180.14508	0.9
181.81633	0.9
182.08307	1.0
185.16595	6.5
186.08742	1.8
191.05618	2.9
196.96536	0.9
200.14072	1.3
211.14633	1.2
229.15533	3.3
242.18758	4.2
249.13391	2.8
250.04179	1.0
291.14462	1.1
298.24677	1.3
310.18472	1.7
313.22446	2.8
336.14490	5.1
399.22238	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.8
58.77485	1.0
59.01377	22.0
59.80913	0.9
61.98827	100.0
69.03448	1.2
70.49978	1.1
71.01377	2.1
73.02937	1.3
73.04057	1.7
79.59180	1.1
85.02965	1.7
87.04518	1.9
87.05634	8.9
93.03451	4.5
101.02425	1.3
101.68412	0.9
108.57773	0.8
110.02462	1.3
113.02444	3.3
115.08786	1.6
116.07162	0.8
121.02927	9.5
122.03288	3.3
123.04527	9.4
129.06697	11.1
130.08740	27.7
137.02408	5.9
138.86629	0.8
144.07755	2.6
155.08191	1.3
168.07813	1.1
168.09052	1.4
176.54051	0.8
180.14508	0.9
181.81633	0.9
182.08307	1.0
185.16595	6.5
186.08742	1.8
191.05618	2.9
196.96536	0.9
200.14072	1.3
211.14633	1.2
229.15533	3.3
242.18758	4.2
249.13391	2.8
250.04179	1.0
291.14462	1.1
298.24677	1.3
310.18472	1.7
313.22446	2.8
336.14490	5.1
399.22238	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1319
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
54.28222	1.9
69.82094	4.9
69.82458	3.9
91.49160	2.1
98.22525	3.2
99.92587	79.3
99.93255	4.2
100.92670	2.5
100.93350	4.9
115.92107	10.7
116.92872	12.3
118.89980	100.0
119.89990	4.6
119.90771	5.4
134.89485	6.4
135.90291	18.5
156.69363	2.1
235.04794	2.2
252.01775	2.1
256.80215	2.3
272.24136	2.5
333.20627	5.8
338.40781	2.6
362.15475	13.9
363.15549	2.9
398.13235	85.7
399.13354	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	398.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05931	4.0
61.98824	4.3
69.03466	22.1
97.02950	100.0
145.61739	5.6
147.04555	20.8
163.03996	9.3
188.07191	13.5
191.03464	21.2
244.14177	4.2
300.12350	57.9
301.12671	5.9
365.45557	4.4
398.16138	20.7
399.18549	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59365	0.6
59.01378	100.0
60.01725	1.0
61.98826	14.2
62.14199	0.6
69.18725	4.0
69.86268	0.6
71.01421	0.7
74.02516	0.8
78.86234	0.6
78.95907	1.0
93.03477	1.0
98.43880	0.6
121.66447	0.7
130.08733	7.9
135.04526	9.4
137.02501	0.7
161.02449	2.0
179.03499	6.1
191.05643	2.0
199.18213	1.1
202.79475	0.6
227.14021	1.3
242.75832	0.6
313.26187	1.9
335.07639	7.1
382.24911	1.2
398.21085	2.0
399.27246	9.1
422.12518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2185
Annotation	candoxatrilat
Peak:m/z	Relative Intensity
51.62808	0.4
57.03168	0.7
57.03447	15.0
58.39687	0.4
59.01377	3.7
61.98542	0.7
61.98828	8.2
69.03441	0.8
71.01384	1.2
71.05009	1.0
73.02932	1.1
74.02502	0.5
83.05021	0.7
85.02946	3.6
85.06590	3.7
87.00874	3.6
89.02441	0.8
93.03450	1.4
93.71112	0.4
93.84200	0.5
93.90050	0.4
94.03745	0.5
97.02909	0.7
101.02437	1.1
111.04490	0.6
113.02454	1.2
115.03988	2.3
119.03493	0.5
121.02906	0.9
123.04512	0.5
125.02474	0.7
125.09709	0.7
129.05605	1.3
132.05829	0.7
133.06131	0.6
134.03664	0.5
135.04512	1.0
136.07608	0.6
137.02495	0.7
145.08818	0.4
149.02495	0.7
155.03522	0.5
162.03145	0.6
164.10760	0.7
165.12793	0.9
173.04515	1.4
173.09744	2.0
174.04924	0.6
174.10010	2.7
177.05495	0.6
179.03578	0.8
191.05571	2.6
191.10753	1.7
192.05971	1.5
192.11125	2.0
193.08511	1.3
194.08960	1.1
204.13846	0.5
217.08687	0.7
218.09029	1.8
218.15489	0.4
219.02998	1.2
219.48683	0.4
220.17076	3.1
221.08176	0.6
232.17035	10.2
233.17505	0.7
237.07645	0.6
237.12563	1.0
246.14955	2.1
250.14397	1.2
264.16016	8.2
268.15598	0.5
276.16034	6.1
290.21118	0.5
292.19174	0.9
294.17105	20.2
295.17386	1.5
300.19626	1.8
316.19147	0.8
318.20752	4.4
319.21271	0.5
334.20148	6.1
335.07626	0.8
335.20544	0.6
336.21790	2.0
344.18716	1.1
352.21249	0.9
362.19604	4.2
380.20755	31.5
381.20917	2.6
398.21796	100.0
399.09253	1.2
399.22067	11.3
399.25873	0.6
412.13110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
72.90277	89.7
75.36574	87.5
111.74494	81.9
144.15477	100.0
145.70618	80.8
185.15390	84.1
217.08867	91.7
220.10565	87.8
384.06244	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97660	23.1
63.60224	22.3
63.69720	19.9
69.58155	100.0
70.12913	23.6
85.14798	21.1
99.92589	32.1
106.01505	25.5
109.44083	23.4
113.42610	22.9
118.89983	30.3
120.72150	21.6
152.69286	25.6
235.59218	22.6
259.32056	22.0
319.62247	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35436	1.0
59.01379	6.0
70.53756	1.5
71.01384	2.6
73.02946	1.1
85.02952	7.6
89.02441	1.1
90.97111	1.5
101.02471	1.1
103.03992	2.0
113.02456	1.9
116.45717	0.9
117.00402	1.9
118.09811	0.8
130.08755	2.6
131.03511	1.1
132.98216	2.1
137.00977	1.6
141.04076	1.0
143.02000	2.2
143.03471	1.0
151.02507	2.4
153.00439	35.8
154.00587	2.4
155.01964	2.0
158.99741	1.5
159.01488	3.0
167.02057	1.0
169.03532	4.6
170.99803	1.1
174.99248	3.4
185.01508	0.8
185.03055	15.1
186.03214	1.6
186.99219	6.5
187.04617	36.1
188.04776	2.7
189.00731	1.1
195.01537	0.9
197.03062	3.8
201.00809	36.5
203.02361	13.1
210.99191	1.9
213.00786	3.8
214.98682	2.7
215.02386	1.0
223.00952	3.5
229.00269	1.6
231.35979	0.8
232.98225	1.1
239.02353	1.3
241.02010	19.6
241.04147	1.7
242.02211	2.0
255.05487	1.0
256.99783	26.2
257.06995	2.1
258.00024	1.4
258.99649	0.9
268.98245	3.2
276.80167	0.9
284.57861	1.0
295.01120	1.5
296.97754	4.4
298.57593	0.9
301.00937	3.9
302.97125	1.3
310.99344	15.5
311.04584	3.3
311.99344	2.0
316.98447	0.9
328.98553	1.8
338.98804	100.0
339.98987	10.8
343.00497	1.0
345.03537	3.2
351.64212	0.9
355.03159	1.2
370.99579	2.8
398.99362	6.8
399.11423	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73621	0.4
57.03433	0.5
59.01378	5.7
61.98807	0.6
62.06594	0.5
63.65707	0.6
64.60345	0.5
67.01886	0.5
69.03442	1.9
71.01371	4.3
71.42281	0.6
71.86596	0.5
73.02955	2.8
74.47778	0.4
78.95899	4.6
85.02947	3.5
87.00880	1.4
89.02461	1.0
93.03458	14.7
95.05028	2.0
97.02915	0.6
98.57980	0.4
101.02442	3.3
105.03467	0.8
109.02954	1.1
111.00875	0.7
111.04531	0.9
113.02449	10.4
115.03996	0.6
119.03462	0.5
121.02933	2.9
122.03791	1.0
123.04522	100.0
124.04839	3.4
125.06004	0.5
127.42586	0.4
135.04544	0.5
137.02446	18.8
138.02800	0.8
139.04013	0.7
152.99580	8.2
161.04576	5.0
162.03267	1.2
167.03526	0.9
173.04575	2.1
175.07666	1.7
177.05602	1.6
191.05621	5.1
193.08740	1.8
219.06538	0.5
237.07683	25.8
238.07993	1.4
249.09773	1.6
285.09778	1.6
337.87878	0.5
339.10834	0.5
363.12857	0.6
381.13171	1.0
389.48425	0.5
395.52341	0.5
399.13031	7.0
399.21835	1.2
399.26324	0.9
402.79163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
57.03447	1.9
59.01379	100.0
61.98827	4.9
66.56225	1.3
69.03455	1.6
69.83611	4.0
71.01381	58.5
72.01717	1.3
73.02947	13.5
75.00845	1.3
78.95901	4.3
83.01370	6.2
85.02956	19.8
87.00887	4.1
89.02441	52.5
93.03462	2.3
95.01402	2.7
99.00889	2.9
99.85596	1.3
101.02440	41.3
102.02803	1.6
113.02441	28.7
119.03487	24.0
121.02958	6.3
123.04546	1.7
130.55142	1.3
131.03487	5.1
143.03481	5.3
149.04544	2.1
152.99585	5.9
159.03012	2.8
161.04539	25.9
173.04437	2.3
179.05611	37.2
180.05774	1.8
187.70734	1.2
191.05612	18.8
219.06729	1.9
228.29507	1.6
233.06660	1.9
237.07637	2.4
241.87506	1.4
251.11351	75.3
252.11728	4.3
293.08704	2.9
399.12772	10.5
411.07889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.01372	3.1
61.98821	2.3
66.64367	0.3
69.03441	1.0
71.01376	9.8
73.02947	3.9
73.04064	0.4
79.05526	4.3
81.03460	2.7
83.01384	1.1
85.02942	4.5
87.00890	0.4
89.02444	0.9
95.01372	0.8
97.02926	0.6
98.21874	0.7
99.00871	1.2
101.02441	5.6
113.02447	8.8
123.04520	100.0
124.04849	2.5
125.02494	0.6
130.08731	0.8
143.03458	0.7
147.04530	0.9
159.02974	1.2
161.04549	20.6
162.04886	0.5
173.75348	0.3
191.05611	0.6
193.38147	0.3
195.06529	0.5
223.42450	0.3
228.72440	0.3
237.14944	4.1
255.11749	0.3
285.06641	0.5
285.09787	9.6
286.10190	0.8
311.19077	0.4
318.82147	0.4
331.78220	0.3
399.12350	0.5
399.17023	0.6
399.26334	0.9
400.17661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90430	0.3
57.03444	0.4
59.01377	1.8
61.98830	0.4
69.03453	2.0
69.38204	1.1
71.01376	3.6
71.05018	0.5
72.99308	0.3
73.02944	1.6
77.03966	0.4
78.95903	0.7
85.02930	1.9
89.02431	0.4
92.10719	0.3
93.03450	1.4
95.05019	2.4
99.00910	0.4
101.02406	2.0
104.30565	0.4
105.03460	1.0
107.05016	0.7
109.02976	0.5
113.02441	9.1
114.02802	0.5
115.03964	0.6
119.03504	0.5
121.02947	2.3
123.04519	100.0
124.04844	3.9
135.88628	0.3
137.02425	1.5
149.02461	0.5
152.99609	0.9
153.09221	0.7
159.02895	0.4
161.04546	6.2
175.07643	0.6
179.14441	0.3
191.05646	1.4
193.04951	0.3
193.08717	0.4
195.13878	1.2
207.06534	0.5
223.13498	0.4
237.07643	6.6
238.08345	0.4
239.12746	0.4
285.09863	2.1
311.11395	2.0
337.29486	0.3
399.08643	0.5
399.13068	2.3
399.26425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64253	1.3
55.01861	2.4
57.03432	4.9
59.01375	30.8
61.98822	18.7
63.25720	1.4
63.27118	1.3
67.01878	5.3
68.99816	2.9
69.03461	3.0
71.01374	35.1
71.42787	1.6
73.02937	6.1
75.30911	1.5
80.85641	1.4
81.03452	2.1
83.01373	6.4
83.05021	5.2
85.02946	36.1
85.82558	1.3
86.00111	2.0
87.00882	11.6
89.02421	5.2
91.05527	100.0
92.05840	2.6
93.03442	4.2
95.01397	7.4
97.02941	2.3
99.00912	2.2
101.02450	16.3
103.00336	2.3
109.02941	1.7
111.00853	4.2
112.01653	2.0
113.02445	44.3
114.02762	2.0
115.04021	1.6
116.07140	2.3
117.03477	9.8
126.46350	1.5
129.01921	4.3
129.10339	4.7
130.08755	7.7
134.64389	1.3
135.04517	44.2
137.02414	1.9
139.00337	3.4
142.99861	1.5
143.11880	2.8
147.51982	1.3
153.05453	1.5
161.04503	11.0
171.10239	2.3
175.11247	3.3
177.01912	1.4
179.03448	3.0
191.05629	8.2
201.60875	1.3
202.70471	1.4
205.07161	11.9
242.18820	1.5
249.06151	6.8
251.11327	30.7
252.11601	2.8
263.07672	34.5
263.10284	2.6
271.94009	1.5
280.72067	1.4
280.75052	1.4
281.08749	67.9
282.09082	5.3
319.99783	1.4
326.92099	1.6
354.21002	1.7
355.08148	3.3
356.08682	2.0
364.18842	1.6
370.23502	2.2
371.23792	3.1
385.17365	1.5
385.59082	1.4
399.12933	46.0
399.26373	14.6
400.13339	5.3
402.22076	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	399.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07619	3.3
55.05102	3.9
59.01378	30.6
60.86099	3.4
61.98829	68.8
71.01381	4.4
71.42353	4.5
73.03380	2.9
74.02461	11.8
75.33708	3.1
87.00874	100.0
93.03438	8.1
105.63907	3.6
114.05595	6.1
123.04567	4.6
127.05155	3.3
129.10370	4.8
153.05522	3.9
169.08739	5.0
191.05632	22.1
210.11356	3.5
215.35944	3.5
336.08209	4.4
356.12924	3.8
382.18625	5.4
399.14175	28.2
399.18790	6.0
400.11902	7.7
400.19986	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14822	3.9
59.01380	100.0
61.98831	32.8
66.12141	3.8
71.01379	37.0
71.40762	3.4
73.02909	5.0
85.02971	3.3
87.00880	4.7
89.02443	60.5
95.01392	4.3
101.02431	22.6
106.94914	3.4
113.02459	21.5
119.03500	23.6
143.03535	6.1
149.53244	3.8
161.04587	9.8
173.04474	6.8
175.04004	3.4
175.55266	3.1
179.05609	35.1
223.19118	3.4
399.16367	8.4
400.17639	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	0.9
61.98828	1.9
69.03452	0.5
69.26411	1.5
69.26806	0.9
71.01370	3.4
72.97519	0.6
73.02950	1.4
75.00892	0.9
78.54624	0.5
85.02944	3.0
87.00877	2.2
89.02428	2.5
91.95216	0.5
93.03460	4.4
95.01447	0.6
96.02159	0.5
101.02435	1.5
105.07095	0.5
108.02216	0.5
109.02924	0.6
110.21256	0.4
110.98974	0.5
111.04541	1.0
112.51403	0.5
113.02438	3.7
119.03497	0.7
124.59032	0.4
127.04082	0.6
127.85397	0.4
133.02986	1.5
135.04549	1.1
137.02481	0.7
143.03606	0.5
149.06090	4.1
155.03551	0.8
161.04633	1.3
162.69603	0.5
173.04543	6.3
179.03517	1.2
179.05655	1.4
191.05605	11.8
191.07062	1.0
231.05200	0.6
242.05307	1.1
249.06134	2.3
257.08432	0.6
264.55014	0.8
265.69101	0.6
267.06708	0.6
281.10382	0.6
291.08862	1.1
293.04861	0.7
399.12799	2.9
399.24228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62346	0.5
55.72411	0.5
59.01377	4.7
60.01726	0.6
61.01844	0.7
61.98828	100.0
69.53970	0.5
69.54291	2.3
88.96270	0.5
92.50557	0.6
99.92606	0.5
102.52829	0.6
102.95222	0.5
109.76878	0.6
116.61629	0.6
116.92868	0.6
120.43653	0.6
223.06177	0.5
224.06609	0.6
238.87756	0.5
260.07898	0.5
309.71594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
60.01713	0.7
61.01810	1.2
61.98829	100.0
69.54098	2.3
74.89577	0.6
77.75313	0.5
98.21894	0.7
191.05632	0.7
290.51257	0.6
294.07321	0.6
325.26804	0.6
346.06750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03851	0.4
54.09682	0.5
55.01875	5.3
57.03444	4.7
58.00586	0.9
59.01377	65.6
60.01711	0.6
69.03447	0.9
71.01379	100.0
71.43543	0.6
72.01701	1.0
72.99291	2.1
73.02942	23.8
75.00868	1.2
78.95908	0.9
81.03500	0.7
83.01385	10.1
83.05003	0.7
84.02168	0.8
85.02945	37.2
86.03284	0.9
87.00865	4.8
89.02441	43.0
90.02798	0.6
90.03351	0.5
93.03417	0.6
95.00819	0.6
95.01387	8.3
96.92028	0.5
97.02949	2.8
99.00877	11.0
101.02441	58.4
102.02770	1.5
106.32673	0.5
113.02449	39.6
114.02758	1.3
119.02646	1.0
119.03497	18.3
125.02410	1.8
129.01900	1.0
131.03456	2.0
135.04585	0.5
143.02510	0.6
143.03485	5.4
147.67416	0.5
149.04477	2.1
159.02962	6.9
161.04555	35.4
162.04814	0.8
173.04468	1.0
179.05592	4.5
185.37108	0.5
191.05447	1.4
205.03488	0.5
235.54395	0.5
258.03873	0.5
269.10861	0.5
269.15732	0.6
341.19217	2.1
360.50266	0.6
363.13501	0.5
399.23874	3.7
400.17078	0.7
400.23849	0.5
407.88754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54259	0.4
59.01371	4.8
61.98827	100.0
69.03486	0.4
69.74501	0.7
71.01369	2.4
73.02920	1.0
81.30571	0.5
85.02956	1.0
87.00874	72.6
88.01202	1.1
89.02451	1.9
93.03432	0.4
99.00881	0.5
101.02424	1.7
113.02431	1.7
119.03497	0.5
137.04842	0.9
137.90077	0.5
153.10475	0.4
161.04533	0.6
169.08633	2.6
173.04498	0.7
179.05643	0.5
191.05547	0.9
210.11288	1.9
223.08206	3.4
233.32506	0.4
250.09261	0.5
267.07159	0.6
288.15994	0.8
332.86264	0.4
337.11386	0.6
341.10898	2.3
350.15945	3.0
357.02325	0.5
382.18704	2.3
400.15189	0.6
400.19717	9.2
401.10617	1.2
401.19922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	50.3
61.98832	31.8
64.28207	5.8
69.03439	9.9
70.25248	14.8
71.01377	11.9
73.02937	28.0
73.61785	6.2
89.02438	20.7
97.02946	9.7
101.02461	11.0
113.02453	11.3
119.03504	8.8
125.09705	6.2
135.04559	7.4
157.08847	7.0
161.02385	26.9
176.04778	27.8
179.05672	12.5
190.06317	6.6
217.80418	6.9
269.08194	7.8
281.08133	7.1
282.18652	24.5
294.18555	23.7
297.07690	26.5
297.89371	7.6
309.07861	33.0
312.10043	20.2
324.10022	26.2
327.08957	10.1
327.12396	84.5
338.17535	10.0
339.12152	40.4
341.10889	44.4
356.18842	15.5
382.04623	6.8
400.17563	100.0
401.17590	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	400.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89209	4.0
57.03442	5.3
57.14528	4.4
59.01381	73.6
61.98825	16.2
69.03458	7.8
69.39007	18.0
71.01386	54.7
73.02918	17.5
79.44806	3.7
81.05547	3.8
82.23718	3.7
83.01389	8.9
85.02941	24.0
87.00889	11.6
89.02442	25.8
93.03462	18.8
93.53199	4.1
94.03820	3.6
94.18201	3.9
101.02438	38.4
102.02773	4.2
103.04034	5.8
106.65497	3.6
107.05045	8.8
107.30130	3.7
109.02969	9.1
111.03098	6.8
111.04558	4.2
113.02445	72.4
116.07169	13.7
119.03517	14.6
122.06151	5.2
125.02446	6.2
135.04504	4.9
137.02509	4.6
143.03516	5.9
150.05659	9.2
151.04002	4.5
153.01880	9.0
159.03015	4.0
161.04555	36.0
161.05777	5.6
173.04549	15.1
179.05582	5.4
179.07028	4.2
191.05603	100.0
192.06007	7.0
251.11325	60.8
252.11670	8.0
255.43535	4.1
277.56403	5.1
280.12909	4.3
314.12460	9.1
357.16138	22.2
365.14401	5.4
378.79507	3.9
391.11801	4.9
400.11743	18.4
400.16360	9.6
401.11063	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	400.1763
Annotation	1',2'-Didehydrostemofoline N-oxide
Peak:m/z	Relative Intensity
55.01871	1.4
56.85873	0.4
59.01373	1.2
61.98827	0.5
71.40420	0.4
73.02948	3.2
74.99903	0.4
109.02958	1.2
111.00880	1.0
113.02457	3.2
121.02946	1.4
122.17623	0.5
123.04517	0.8
124.03709	0.4
125.02433	2.0
138.03238	4.0
139.00375	0.8
139.04015	0.7
140.01137	1.2
166.02679	0.9
168.04301	1.1
187.07718	0.5
198.71387	0.5
214.12312	0.6
214.79741	0.5
216.10492	0.7
217.10992	0.6
218.11972	0.7
234.66582	0.5
254.15645	0.6
256.17175	0.8
270.14948	1.6
300.15967	0.7
312.19733	0.8
314.13956	5.7
326.13995	0.8
341.10806	1.1
356.18686	3.1
400.17636	100.0
401.13086	1.0
401.17905	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1762
Annotation	Alpinigenine
Peak:m/z	Relative Intensity
55.99936	0.8
56.77467	0.8
65.17981	0.8
68.58897	0.8
69.03455	24.8
69.25110	2.4
69.25523	2.4
70.03775	0.8
85.02969	1.2
90.29353	1.0
93.07780	0.8
97.02948	100.0
98.03315	2.5
109.02948	1.9
121.02963	5.5
136.07736	0.9
137.06084	6.8
242.15581	2.1
286.14371	1.7
294.18744	1.3
313.07202	1.7
338.17627	2.7
356.18707	9.2
400.17645	38.6
401.08664	1.3
401.17874	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	400.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87425	0.3
59.01377	11.1
61.98827	7.2
62.06049	0.3
65.12223	0.3
65.39967	0.3
71.01379	0.9
71.08539	0.4
73.02943	0.4
74.02448	0.4
85.02963	0.5
87.00874	100.0
88.01221	1.0
89.02431	1.0
93.03463	0.7
101.02437	0.4
108.04591	0.3
109.02956	0.3
111.04477	0.3
112.01647	0.7
113.02476	0.7
117.51640	0.3
118.06631	0.4
119.03524	0.4
119.05009	0.4
123.04562	0.4
124.04008	0.5
136.07655	0.6
137.04851	1.4
137.06079	2.2
139.04019	0.4
152.01234	0.5
152.07204	0.3
167.03508	0.7
169.08705	4.0
173.04564	0.7
180.06613	0.5
191.05630	2.6
195.08984	1.3
210.11424	2.1
238.07869	0.3
239.29117	0.2
262.14313	0.4
280.15463	0.4
288.16052	0.6
291.08496	0.3
306.17258	0.4
328.42722	0.3
350.16046	4.2
351.16666	0.3
382.18600	3.3
400.11746	0.5
400.19760	10.9
401.20087	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	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	18.2
61.98824	37.8
69.72815	13.6
69.73155	41.2
71.01341	13.2
71.12543	11.2
71.72284	11.2
77.50519	13.2
93.03455	32.8
97.02975	20.5
98.21918	22.8
108.83877	11.0
135.04521	13.7
173.04570	42.9
191.05623	100.0
245.23772	12.1
338.17532	26.8
400.17841	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	55.4
61.98816	35.4
69.03439	23.2
69.63515	48.5
71.01386	15.3
73.02921	14.6
75.95932	14.2
85.02933	21.5
89.02444	14.9
93.03448	24.5
96.96005	26.2
97.02962	100.0
98.21925	26.3
121.02933	31.2
136.03827	12.5
165.11511	13.8
173.04427	19.5
191.05579	63.0
256.75433	14.2
302.13943	43.0
304.22321	12.9
313.39719	12.8
400.18701	87.8
401.08676	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01715	10.3
61.98801	12.0
71.01373	95.8
73.02922	28.2
73.69999	8.9
83.32625	10.6
85.02951	39.5
89.02433	28.8
96.71103	12.8
101.02446	49.7
113.02427	24.0
114.02747	11.8
119.03510	16.3
144.18433	11.4
161.04556	31.4
169.72487	10.1
173.04549	13.5
191.05627	22.1
239.11835	11.3
269.71640	10.4
356.18140	11.2
385.14072	16.2
400.16602	90.9
400.24060	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01715	10.3
61.98801	12.0
71.01373	95.8
73.02922	28.2
73.69999	8.9
83.32625	10.6
85.02951	39.5
89.02433	28.8
96.71103	12.8
101.02446	49.7
113.02427	24.0
114.02747	11.8
119.03510	16.3
144.18433	11.4
161.04556	31.4
169.72487	10.1
173.04549	13.5
191.05627	22.1
239.11835	11.3
269.71640	10.4
356.18140	11.2
385.14072	16.2
400.16602	90.9
400.24060	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2856
Annotation	Myxalamid B
Peak:m/z	Relative Intensity
60.32953	2.6
61.69494	2.5
70.62672	3.3
70.63026	4.5
78.59560	2.5
82.88411	3.1
86.19391	2.7
87.42414	2.5
92.05063	100.0
92.11898	2.8
134.98523	2.5
136.03232	3.1
136.04073	30.4
238.10083	3.3
263.23822	7.1
264.02005	2.7
304.50864	2.8
309.74713	2.6
356.29599	24.5
394.22620	2.6
400.28543	86.3
401.28729	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	401.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14474	2.4
52.84436	2.5
55.01868	4.1
57.03440	2.2
60.03514	2.6
60.71257	2.4
63.59253	2.1
69.03452	100.0
70.26850	5.3
70.31815	2.2
70.72715	1.9
71.01378	15.0
75.76048	2.1
85.02957	7.4
109.90835	2.4
111.00864	19.4
111.02008	11.7
112.01665	78.9
113.02440	65.3
117.46792	2.2
157.01418	57.6
358.95984	2.4
405.82047	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	401.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	36.2
60.86008	5.9
65.43964	5.1
67.01870	6.2
69.03447	86.6
69.73027	21.6
71.01374	35.5
75.00888	6.7
83.79765	5.6
83.80289	5.3
85.02937	7.9
89.02000	5.5
89.02430	28.9
95.57004	5.0
101.02433	12.3
108.63772	5.4
111.00889	20.7
111.02021	9.1
112.01664	100.0
113.02444	66.1
119.03497	9.2
157.01389	80.9
167.04556	5.7
179.05563	11.8
183.49956	5.6
191.05795	6.5
228.51469	5.8
237.08797	5.9
281.83508	6.0
303.31400	5.8
341.10864	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52175	1.3
57.03448	2.5
59.01379	36.9
61.98817	5.3
67.69394	1.2
68.13882	1.3
68.99813	1.1
69.42058	5.5
71.01009	2.2
71.01384	31.2
72.99307	4.7
73.02925	2.5
73.23713	1.1
75.00867	15.7
75.27711	1.1
83.01361	2.3
85.02950	22.3
86.03281	1.4
87.00885	9.7
89.02442	13.3
93.03413	1.9
95.01389	4.8
95.57305	1.5
95.98031	1.2
99.00898	8.9
101.02433	4.8
103.00402	1.4
106.04260	1.6
107.05022	18.6
113.01688	2.3
113.02447	26.9
115.00390	2.0
115.17056	1.3
117.01926	2.5
119.03471	3.6
121.02972	2.2
123.04522	3.7
129.01958	2.2
133.02930	9.5
137.05998	1.5
151.04016	23.8
153.01921	1.2
157.01494	1.4
175.02469	1.7
179.03247	2.1
179.05583	4.9
179.07059	2.2
191.05637	2.9
195.81082	1.4
197.08353	1.7
207.05084	1.7
214.29942	1.3
221.08304	1.5
231.05154	1.9
234.99379	1.1
239.09244	9.7
249.06134	23.4
250.06480	1.4
267.07196	44.9
268.07477	1.9
288.16232	1.2
320.82489	1.3
328.98822	1.2
341.10846	15.7
341.14557	1.7
359.13556	1.9
368.10815	1.2
383.09860	2.1
401.10880	100.0
402.11234	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03437	2.8
57.05363	0.9
59.01379	56.1
61.98823	2.2
68.99819	2.2
69.03430	2.4
69.32076	3.9
71.01010	1.8
71.01381	25.1
71.76903	0.9
72.99310	4.5
73.02947	2.2
75.00871	18.7
75.35181	0.9
83.01366	1.6
85.02951	21.7
87.00869	8.8
89.02444	11.4
93.03422	1.6
95.01392	6.5
97.02996	1.1
99.00872	10.4
101.02444	3.3
103.00392	2.4
106.04221	1.2
107.05025	14.1
109.02971	1.5
111.00881	1.0
113.02447	29.4
115.00374	2.1
117.01949	4.0
117.36752	1.0
119.03494	1.9
121.02972	1.6
123.04532	4.1
129.01945	1.9
131.03497	1.2
133.02974	8.8
135.04510	1.6
137.06111	1.7
146.03737	4.9
151.03996	21.7
151.05223	1.3
153.05614	1.6
157.01338	1.1
161.06093	1.9
164.04791	2.6
165.94058	1.0
175.02464	2.9
179.05635	2.4
179.07133	10.2
191.05595	7.5
193.05089	1.4
193.87129	0.9
216.98254	1.2
225.07680	1.2
231.05103	1.8
249.06154	24.6
249.08702	1.6
259.96689	1.0
262.87619	1.0
267.07196	44.7
270.26480	1.1
296.07352	1.1
315.10846	1.4
341.10962	7.9
357.12039	1.0
383.09735	1.7
401.10867	100.0
402.11191	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	401.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03433	1.9
59.01375	26.3
61.98829	2.5
69.03453	5.9
69.27466	5.6
71.01378	33.0
73.02937	13.5
74.02465	2.0
75.00874	1.3
76.05717	1.1
77.93226	1.2
78.95906	2.0
81.03429	1.4
83.01386	4.7
83.43147	1.1
85.02950	14.3
85.28654	1.2
87.00886	2.8
87.04522	2.0
87.05646	1.1
88.04026	1.1
89.02436	8.5
93.03461	2.4
95.01392	2.1
97.02926	2.2
99.00875	4.7
101.02440	30.0
111.00880	1.2
112.04079	1.9
113.02448	45.2
115.03982	1.1
119.03485	2.7
121.23482	1.0
125.02423	2.5
129.10324	3.8
130.08733	2.3
131.03474	2.6
135.77599	1.3
137.02417	2.2
143.03458	1.7
143.11896	2.5
157.28508	1.2
159.02972	3.5
159.06581	1.8
161.04565	20.9
161.05875	2.1
169.09819	1.5
173.04546	3.4
189.94873	1.2
191.05579	2.6
229.31200	1.2
249.09789	9.0
251.11356	100.0
252.11699	4.9
269.10242	3.5
289.07217	2.5
311.05923	1.2
313.16608	1.4
341.10938	3.5
357.15836	1.2
357.21378	4.7
365.14523	8.7
366.16519	1.8
401.14508	2.2
401.19525	1.7
401.24362	2.3
402.19522	1.8
420.53885	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	401.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03433	1.9
59.01375	26.3
61.98829	2.5
69.03453	5.9
69.27466	5.6
71.01378	33.0
73.02937	13.5
74.02465	2.0
75.00874	1.3
76.05717	1.1
77.93226	1.2
78.95906	2.0
81.03429	1.4
83.01386	4.7
83.43147	1.1
85.02950	14.3
85.28654	1.2
87.00886	2.8
87.04522	2.0
87.05646	1.1
88.04026	1.1
89.02436	8.5
93.03461	2.4
95.01392	2.1
97.02926	2.2
99.00875	4.7
101.02440	30.0
111.00880	1.2
112.04079	1.9
113.02448	45.2
115.03982	1.1
119.03485	2.7
121.23482	1.0
125.02423	2.5
129.10324	3.8
130.08733	2.3
131.03474	2.6
135.77599	1.3
137.02417	2.2
143.03458	1.7
143.11896	2.5
157.28508	1.2
159.02972	3.5
159.06581	1.8
161.04565	20.9
161.05875	2.1
169.09819	1.5
173.04546	3.4
189.94873	1.2
191.05579	2.6
229.31200	1.2
249.09789	9.0
251.11356	100.0
252.11699	4.9
269.10242	3.5
289.07217	2.5
311.05923	1.2
313.16608	1.4
341.10938	3.5
357.15836	1.2
357.21378	4.7
365.14523	8.7
366.16519	1.8
401.14508	2.2
401.19525	1.7
401.24362	2.3
402.19522	1.8
420.53885	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	401.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.6
61.98818	2.5
64.46472	1.7
67.01881	6.4
68.99799	2.1
69.03458	7.0
69.28679	8.9
69.52818	1.4
71.01373	6.0
72.13539	1.5
81.03484	1.8
89.02432	10.2
92.02678	4.9
93.03427	3.0
95.01398	4.7
95.05057	2.3
98.21899	3.5
101.02447	2.9
105.03459	3.3
107.05007	1.7
108.02170	8.7
109.02934	10.4
113.02464	3.0
117.03464	3.2
119.03485	2.4
120.02168	16.5
121.02936	3.2
122.03661	1.9
123.00896	12.9
123.04515	3.5
124.01674	15.5
125.02440	3.2
131.01366	7.6
132.02193	16.5
133.02954	6.2
135.04523	4.8
136.01642	2.8
137.02408	8.8
138.03247	3.5
139.00316	4.7
139.04044	10.7
145.02910	2.5
147.00888	2.5
147.04517	5.6
148.01668	19.0
149.02411	7.1
150.03194	5.0
151.00362	44.7
151.04016	6.0
152.01076	6.5
155.03470	3.3
158.03688	2.7
159.00883	9.1
159.04517	4.4
160.01677	26.1
160.05220	2.5
161.02443	21.4
162.03053	2.1
163.03957	6.5
165.01884	5.3
165.05618	2.3
166.02696	43.8
167.03435	5.0
173.02414	3.2
174.03178	4.5
175.00343	10.6
175.04007	9.8
175.05386	2.3
176.01144	95.4
177.01880	15.3
179.03386	3.5
179.05597	3.4
181.05051	48.3
186.03255	1.7
187.03978	11.9
189.01938	3.1
189.05528	2.6
190.02733	4.1
191.03499	100.0
192.04077	7.7
194.02188	14.8
201.02055	1.9
202.02684	2.3
203.03510	20.0
204.04248	26.1
205.04958	4.8
205.08687	2.6
207.06651	4.5
209.02626	3.2
209.04543	48.7
210.04861	2.7
217.04984	2.2
218.05974	1.9
219.03107	2.9
219.06595	33.1
220.03745	5.8
234.05400	2.2
235.06067	21.9
236.06630	1.8
288.16196	1.6
300.08157	4.4
315.10657	4.2
341.06873	3.3
341.10672	15.4
342.10922	4.0
342.45151	1.9
356.09216	3.9
369.09988	2.3
371.07236	2.9
371.11398	24.0
372.11621	2.2
373.12863	2.0
386.10052	7.4
387.10519	4.3
401.12668	14.8
401.17657	3.0
402.12891	3.7
402.18991	2.3
404.66794	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	401.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26532	2.2
59.01378	12.6
61.98831	7.6
70.73627	3.3
70.73965	3.1
71.01394	4.8
80.23122	2.2
81.85919	2.0
89.02457	3.4
99.57104	2.2
102.82261	2.3
103.02070	2.2
119.03506	2.4
119.05042	12.1
137.02458	2.2
147.04523	37.0
148.05301	36.2
148.06418	2.6
151.04074	4.4
157.08467	2.1
160.05301	3.5
161.02342	2.7
161.06105	8.2
162.03250	6.5
162.06857	11.1
163.04007	2.7
165.01915	2.5
176.04794	11.7
179.05638	2.6
180.04242	7.6
182.34796	2.3
189.05574	2.8
190.06378	2.4
191.03506	81.9
191.07135	74.9
191.08829	4.6
192.04192	13.1
192.07481	3.2
193.05075	3.0
194.05847	5.3
206.05830	25.0
210.06749	5.3
220.03706	13.6
224.03323	9.7
226.06369	2.9
233.04602	6.4
234.05331	5.9
235.06070	26.0
236.06355	2.8
237.05620	4.8
238.04628	19.9
247.06065	3.0
250.06352	6.6
251.07104	3.0
253.08643	3.0
254.05893	5.5
265.05209	5.1
278.05881	3.2
278.71094	2.3
279.06647	4.9
282.05292	11.6
283.06152	5.6
294.05353	8.6
297.07690	15.6
298.08176	3.2
309.04468	2.7
309.07736	10.9
310.04962	3.5
312.10025	4.9
313.10916	2.6
314.11691	2.9
322.04840	6.8
323.05347	4.2
324.06421	4.9
329.14059	4.1
337.07166	26.7
338.04214	3.3
338.07993	4.1
339.08774	10.3
341.06635	10.3
341.10919	14.9
351.08725	4.0
352.09430	17.4
353.06577	21.5
353.10336	6.0
354.07126	2.9
356.09058	7.6
357.09662	7.0
357.13489	15.8
358.14145	2.8
368.09021	16.7
369.09332	4.8
371.11307	39.5
382.96744	2.7
383.11368	46.9
384.11722	4.8
401.12436	100.0
401.17422	4.2
402.12717	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78215	1.9
59.01376	79.7
61.89662	1.9
63.24729	1.8
69.03455	7.1
70.46815	3.5
71.01377	43.5
75.00858	2.3
85.02966	10.3
87.00873	3.4
89.02435	61.0
95.01414	2.2
101.02423	25.6
111.00909	2.2
112.01684	7.8
113.02445	24.6
119.03475	20.0
125.04781	1.9
131.03468	4.5
143.03531	4.3
157.01389	5.5
161.04558	4.6
179.05582	26.5
267.07162	2.6
314.78125	2.4
341.10849	100.0
342.11176	6.5
353.11786	2.5
401.10693	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11898	0.7
58.00580	0.6
59.01377	100.0
60.01712	0.9
63.20639	0.6
64.19715	0.7
71.01379	4.7
72.76109	0.8
75.00882	1.6
85.02952	2.8
89.02444	5.6
90.24315	0.6
93.03456	11.8
95.01376	0.9
99.00858	0.9
101.02468	1.8
113.02419	3.2
119.03540	1.6
137.02437	24.4
151.04012	7.2
169.14085	0.7
175.02463	0.6
176.00108	0.8
179.05667	1.4
183.62886	0.7
196.17447	0.7
221.06473	2.3
239.07497	2.3
249.06143	7.1
263.07660	1.3
312.72964	0.7
320.63486	0.8
341.10910	8.3
342.11285	0.8
401.11581	5.9
401.17984	0.8
402.19171	4.9
405.04364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93753	0.6
59.01379	100.0
60.01712	0.8
61.98817	3.2
67.24873	0.7
69.03465	0.9
69.08620	3.7
71.01383	6.3
73.02950	1.5
85.02955	1.8
87.00909	1.0
89.02438	8.7
89.02933	1.0
93.03490	1.5
97.02996	1.0
101.02457	4.2
113.02450	3.4
119.03433	3.3
121.02940	1.2
122.03770	3.7
135.04591	0.7
137.06091	13.8
138.06456	0.8
143.03510	0.9
143.83455	0.6
149.02460	1.7
151.15312	0.6
154.91891	0.7
161.02469	2.0
161.04541	0.9
165.01823	0.7
173.04607	1.5
179.03522	1.1
179.05652	3.1
191.05661	1.1
197.04793	0.9
286.07281	1.0
341.10883	13.0
342.11349	1.6
401.18182	1.9
402.19162	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	401.1452
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
50.33578	1.2
55.01871	7.0
57.03441	8.1
58.00604	1.3
59.01378	100.0
61.98820	3.8
63.43422	1.1
69.03455	3.4
69.10091	7.6
71.01383	94.0
72.99331	1.4
73.02947	42.8
75.00880	2.0
81.03466	1.6
83.01381	12.2
85.02947	48.7
87.00875	4.1
88.04057	1.3
89.02442	47.0
95.01408	6.9
97.02941	5.5
99.00887	14.7
101.02442	69.8
102.02791	1.4
107.04985	1.1
108.02167	5.8
109.02951	13.3
111.00888	1.9
113.02449	35.3
115.04043	1.8
119.03502	10.4
123.04623	1.4
123.44327	1.3
125.02452	10.2
129.01903	1.2
129.10362	4.2
130.08752	1.5
131.03531	5.4
135.08168	1.3
143.03477	7.0
143.11909	3.0
149.04608	2.0
151.11279	13.1
152.01118	7.2
153.01959	5.9
159.02998	6.0
161.04568	39.4
161.09756	2.1
162.04944	2.5
163.07672	5.2
164.04782	2.9
179.05667	5.5
179.07181	2.2
179.10773	17.6
180.11243	1.8
191.05717	1.6
203.10809	4.3
221.11797	16.4
222.12216	1.7
233.06566	6.7
239.09232	2.7
239.52101	1.1
269.10294	84.5
270.10645	5.9
293.08875	2.3
341.10849	7.6
357.21411	7.4
371.22653	1.2
401.14728	90.8
402.14813	6.0
402.19391	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03446	3.3
57.33636	0.9
58.00592	1.7
59.01377	100.0
61.98825	15.3
68.99828	1.0
69.03460	3.7
69.29473	4.4
71.01379	71.2
72.01709	1.7
72.99290	2.1
73.02943	27.6
74.02505	2.3
81.03488	1.9
83.01376	12.4
83.05045	1.2
85.02946	28.1
87.00883	3.7
87.05650	2.7
89.02442	41.0
95.01393	4.1
97.02937	6.5
99.00870	6.0
99.04516	1.4
101.02439	49.8
102.02795	1.0
107.05035	1.7
109.02967	3.5
111.00884	5.4
113.02444	24.6
115.04013	1.8
119.03516	7.9
119.05016	4.4
124.01740	0.9
125.02412	5.4
129.01939	1.2
129.06715	2.1
129.10320	1.6
131.03503	16.4
136.01660	1.1
136.05246	1.5
137.02478	0.8
137.06097	2.3
143.03462	4.6
149.04572	9.3
150.03250	2.5
151.04004	2.0
151.11304	1.6
153.01981	1.1
155.08180	1.0
159.03021	3.0
161.04562	22.4
163.07710	1.2
166.08762	1.1
173.04584	1.1
177.05574	1.2
179.05640	6.0
179.07039	1.1
179.10777	2.3
187.34399	0.8
191.05641	4.0
196.96701	0.8
221.11963	2.4
233.06586	5.5
251.09285	1.2
269.10291	36.8
270.10706	1.6
281.10342	5.8
293.08878	2.1
299.11420	1.1
314.21460	1.3
316.15720	1.2
340.19162	0.9
341.10825	14.4
357.17908	4.5
357.21777	1.7
358.20230	1.7
371.22986	1.3
375.82275	1.1
401.14670	39.7
402.14761	2.7
402.19211	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03442	3.8
58.93989	0.5
59.01380	43.4
61.98824	0.6
66.44148	0.6
69.03450	1.0
69.66865	1.3
71.01381	24.5
72.99308	1.0
73.02948	6.5
75.00873	0.6
83.01393	4.7
85.02950	13.2
87.00872	1.8
89.02441	9.1
93.03442	1.6
95.01381	2.1
97.02948	2.1
98.80208	0.5
99.00874	2.8
99.04553	0.5
99.92564	0.7
101.02445	17.5
103.67210	0.6
109.02959	1.1
109.06596	0.5
111.00883	0.9
113.02450	14.7
116.92876	3.5
119.03516	4.4
123.08161	3.0
125.02421	1.4
129.19829	0.5
135.04539	0.9
143.03441	0.7
156.14841	0.5
159.03040	0.7
161.04584	2.9
161.09642	0.6
173.04550	1.9
174.17346	0.5
177.12830	5.6
179.03450	0.6
179.05634	0.8
191.05588	5.3
192.05992	1.0
195.01189	0.8
195.13942	2.6
221.11821	4.0
268.52740	0.5
277.15448	0.6
292.06207	1.7
297.04144	0.5
318.04047	0.9
360.50903	0.6
401.18152	100.0
402.18539	10.4
402.23862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01876	2.2
57.03450	3.8
59.01379	36.8
71.01382	22.9
71.25393	0.6
72.99316	0.5
73.02945	7.3
75.00871	0.6
83.01373	4.7
85.02952	10.5
86.00082	0.6
87.00877	1.5
89.02446	10.3
93.03425	0.5
95.01384	2.0
97.02979	0.7
98.89436	0.5
99.00883	1.9
101.02438	18.3
113.02444	9.2
119.03483	4.1
120.52285	0.4
123.08153	2.5
133.30431	0.4
143.03433	0.7
148.27641	0.4
151.04045	0.7
159.03020	0.6
161.04532	1.4
161.09770	0.5
173.04547	0.5
177.12863	6.0
179.05569	1.0
195.13890	2.9
195.15450	0.5
195.17331	0.5
221.11832	3.1
223.14728	0.5
341.10883	2.9
401.18143	100.0
402.18631	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12090	1.3
55.01881	4.8
57.03447	6.1
58.00600	1.6
59.01378	100.0
61.98838	6.0
69.03460	2.8
69.15419	8.7
71.01380	91.5
73.02948	37.6
73.03363	2.0
73.04060	2.0
75.00893	2.3
81.03463	1.6
83.01374	10.2
85.02947	49.8
87.00877	3.9
88.59451	1.3
89.02442	44.3
90.68024	1.3
95.01408	5.7
97.02968	5.6
99.00872	12.9
101.02444	65.6
102.98636	1.6
108.02181	9.3
109.02951	15.7
111.00871	3.5
113.02451	35.6
119.03529	10.5
123.04581	1.8
125.02450	7.7
129.01952	1.9
129.10376	5.0
130.08789	4.0
131.03539	6.2
131.34525	1.7
135.08134	1.8
143.03465	6.7
143.11922	2.7
149.04564	2.8
150.03281	2.4
151.04051	2.3
151.11311	12.5
152.01120	9.4
153.01993	5.1
159.02971	6.9
161.04553	43.2
161.05832	2.4
161.09697	2.7
163.07697	4.3
164.04845	6.0
166.76106	1.5
179.05676	5.5
179.07068	2.6
179.10803	19.7
183.45482	1.4
191.05643	2.3
200.14095	2.3
203.10867	5.6
204.11011	1.5
221.11790	17.7
233.06746	3.8
257.88736	1.6
269.10294	82.6
270.10727	5.5
293.08926	3.1
312.38385	1.6
341.10751	7.8
357.21732	4.8
358.13574	1.6
359.66995	1.5
401.11023	6.7
401.14734	85.1
401.23819	2.8
402.14737	7.0
402.19412	19.2
402.23825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89700	6.4
52.75711	6.8
57.03448	6.2
59.01382	53.1
61.98825	19.6
62.19826	6.6
62.84275	6.3
63.00998	5.7
69.03458	11.7
71.01373	26.9
73.02925	29.0
74.02464	11.0
78.33777	6.2
83.05080	6.0
85.02974	15.8
89.02464	31.3
96.95985	10.9
97.02942	28.6
101.02428	20.4
113.02447	15.5
119.03499	16.7
123.51356	6.3
150.03194	12.3
152.77544	7.1
164.04648	6.1
173.04446	8.5
178.02922	5.9
179.05598	9.7
186.50648	6.5
191.05640	12.8
200.45200	6.1
203.97435	6.5
207.87231	6.7
218.50664	6.6
235.77031	7.3
240.17471	6.3
278.58817	7.1
283.70099	6.8
287.83881	7.0
296.20328	6.4
342.11255	15.1
358.20453	24.3
402.19022	100.0
403.19720	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12239	17.3
59.01366	70.5
61.98822	39.9
68.18624	16.4
69.10170	62.3
69.10577	37.3
71.01357	24.5
113.02453	38.8
124.55607	15.3
133.02963	18.3
133.08403	15.3
135.04507	26.6
159.04456	20.2
160.05315	46.1
173.04568	18.6
175.07603	47.2
177.05508	27.2
178.02669	26.6
178.06360	29.7
179.03467	20.6
191.05571	32.3
201.11313	30.1
207.65628	17.0
243.48393	18.0
252.28574	17.7
273.53702	16.6
306.07452	22.5
329.13947	100.0
402.19263	34.3
402.25815	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
56.66050	3.5
57.02778	3.5
57.03446	5.1
59.01376	100.0
60.01689	3.2
61.98833	22.7
68.30485	2.6
68.99809	4.4
69.03445	13.3
69.27956	15.6
71.01377	68.8
72.01727	6.0
73.02946	26.9
74.02464	4.4
79.94343	2.8
80.06832	3.0
83.01376	8.2
83.05028	16.9
85.02952	27.0
86.03281	3.5
87.00873	8.8
87.04525	3.3
89.02451	30.3
93.03452	10.9
95.01360	6.6
97.02953	37.0
98.22684	5.3
99.00896	7.0
101.02444	48.6
102.02773	5.3
109.02938	3.8
111.00900	4.0
113.02451	52.3
114.02785	7.6
119.03473	11.4
121.02974	3.1
123.04501	6.1
123.15499	3.4
127.04025	23.5
127.04807	4.4
129.10321	3.0
137.02461	5.1
139.00371	4.2
139.04027	4.9
143.03545	4.5
143.11833	3.4
151.04001	4.9
153.05547	8.4
153.09195	7.1
154.06166	2.9
159.02968	8.0
161.04558	31.2
162.04880	8.1
164.04855	3.1
173.04614	9.6
179.05618	4.7
191.05643	16.0
197.04587	14.7
204.10954	3.4
223.13385	3.4
241.14436	4.2
251.11371	73.7
252.11674	39.9
270.10608	9.9
289.09232	10.7
292.05975	4.3
306.45535	3.2
343.13620	3.9
358.20367	6.8
359.17038	5.1
366.14868	6.1
402.14270	16.9
402.19031	20.6
403.12082	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	402.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41533	0.6
57.03170	1.1
57.03448	19.9
59.01384	9.6
61.98835	1.0
69.03443	1.9
70.96512	0.7
71.01377	6.0
72.99297	0.7
73.02942	1.0
83.05000	0.6
85.02943	6.7
87.00870	5.1
89.02438	3.1
89.97888	0.6
93.03474	1.2
95.08672	1.1
96.04552	13.1
96.05167	0.9
97.02945	1.7
101.02438	2.8
107.08694	0.8
109.02926	1.1
111.04532	0.6
113.02437	4.2
119.03474	2.0
133.03009	0.6
134.06192	0.6
135.04581	0.7
137.04808	3.5
161.04565	0.8
162.09248	0.7
169.08696	76.6
170.09013	3.6
173.04555	1.4
173.42000	0.7
179.03514	0.7
179.05562	0.7
179.90863	0.6
182.08228	0.8
184.09839	1.9
191.05589	3.4
195.08977	1.8
196.06149	1.4
200.09264	22.0
201.09532	0.9
210.11313	9.2
211.11787	0.8
220.13382	5.5
222.11386	0.8
226.56914	0.7
239.14653	0.6
248.12907	3.9
251.11322	1.1
252.11754	1.2
266.13916	10.4
352.17661	2.8
370.18671	7.7
371.18945	1.3
402.21347	100.0
403.16571	1.0
403.21613	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	402.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	19.1
59.01384	4.7
69.03457	2.1
70.91892	1.1
71.01373	2.6
85.02933	5.0
87.00877	3.6
89.02433	1.6
95.08649	1.6
96.04544	14.4
97.02943	4.1
101.02480	1.2
101.40005	0.8
113.02420	1.0
123.03323	1.1
137.04810	3.8
152.53174	0.8
153.90805	0.8
154.49373	0.8
169.08698	78.5
170.09047	3.2
184.09767	2.3
191.05630	2.3
195.09004	2.8
200.09271	21.6
201.09612	1.2
210.11369	8.3
220.13400	6.9
222.11301	0.8
248.12923	3.0
266.13998	9.9
352.17545	2.2
370.18729	7.3
402.21341	100.0
403.21701	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	402.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60558	2.2
59.07686	2.2
65.02538	2.1
69.75539	7.8
70.78152	2.5
89.09591	2.3
92.05058	95.7
93.05421	2.4
98.21927	4.7
110.09531	2.3
136.04041	28.4
139.14777	2.5
159.54987	2.5
159.85049	2.1
181.98393	2.3
187.67314	2.3
265.25430	13.7
273.64545	2.6
358.31241	27.7
364.10114	2.4
383.98566	2.5
402.30099	100.0
403.30615	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	403.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70402	1.8
52.66055	1.9
59.01379	2.0
67.75267	2.0
69.17288	7.5
71.05006	6.7
74.34431	1.7
85.02887	1.9
87.04519	2.5
92.17516	1.7
98.21941	3.7
115.04016	56.2
118.95654	1.9
125.94162	1.8
159.02994	100.0
160.03302	3.7
214.98732	7.7
285.58987	2.0
306.72418	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	403.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61505	1.3
52.28562	1.4
59.01377	9.2
59.17437	1.0
62.69867	1.1
63.33851	1.1
63.41718	1.2
65.96331	1.1
68.97420	1.1
69.40295	5.6
71.01374	3.4
71.62788	1.2
81.83518	1.2
85.02937	2.0
89.02448	2.0
91.90587	1.4
106.04236	21.0
106.77225	1.3
113.02460	1.9
125.69239	1.1
127.03987	2.0
127.91965	1.3
133.02992	1.4
135.04451	1.8
150.03250	1.5
155.83061	1.1
161.09715	39.8
162.33621	1.2
176.04062	1.5
186.38577	1.3
187.07643	6.3
205.08687	100.0
206.09001	5.9
215.07164	1.4
231.06544	2.7
231.10330	1.4
243.74806	1.3
257.08060	3.0
275.09164	1.5
349.04321	1.3
359.20428	1.3
403.14417	1.6
403.19220	2.0
403.23846	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	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.4
59.01375	30.6
61.98830	2.1
68.99810	3.0
71.01363	6.3
73.02920	4.8
75.00864	1.9
83.04982	2.0
85.02957	16.9
87.00870	4.9
87.04507	1.8
89.02436	3.3
93.03420	2.6
95.01337	2.6
95.05017	1.7
97.02926	2.1
97.06609	2.1
98.48706	1.5
101.02419	5.0
101.91719	1.4
107.04994	2.1
111.00849	2.2
112.01637	2.6
113.02419	7.0
117.82390	1.6
121.02877	2.2
122.06133	9.5
124.07668	2.5
127.04051	8.9
130.02872	3.1
131.03712	7.5
132.04556	20.9
133.02937	8.3
134.03676	5.0
135.04510	4.5
137.02396	2.4
146.02455	2.1
147.03206	2.9
150.05531	3.8
151.04015	1.9
155.03419	4.3
155.10632	1.7
158.02452	11.4
160.04045	12.5
161.04706	2.2
162.05516	4.5
172.05302	10.8
173.04488	4.1
174.03151	2.1
174.05568	2.0
175.09050	1.6
175.49883	2.3
176.03542	11.0
176.07108	2.9
177.01978	2.2
178.02701	3.6
179.03444	2.9
183.04457	3.3
184.07620	3.4
186.06783	2.1
187.03996	3.1
187.07626	50.0
188.08080	2.0
190.05107	20.3
191.05586	6.6
192.06560	2.2
193.10771	1.8
199.04022	3.1
199.08775	1.7
200.04773	2.5
201.05508	2.7
202.06418	2.8
203.10600	1.8
211.12357	5.2
212.05768	2.7
212.10826	2.6
213.09164	10.8
215.07196	13.8
215.11900	5.0
223.08690	4.9
224.07318	2.8
224.09470	15.4
227.03516	3.7
227.08203	4.4
228.04274	2.4
229.08621	3.2
231.06685	8.3
231.10245	9.3
231.34026	1.6
234.04042	3.2
235.04857	1.9
237.10320	2.9
239.08188	3.6
239.11896	29.9
240.05196	1.9
240.10149	6.6
241.09982	9.0
253.06163	25.8
254.06595	2.7
255.07750	3.0
255.11278	5.1
256.08484	1.8
257.08209	52.3
258.08362	2.3
262.17947	2.0
265.09811	5.6
266.08124	2.3
267.07697	9.4
268.08405	11.5
275.09262	12.1
281.09207	6.7
283.10873	71.2
284.11020	4.8
287.10608	2.0
306.07483	15.7
309.08829	18.7
315.13779	2.8
317.19855	2.5
327.09845	100.0
328.10214	7.8
341.11130	4.0
343.21063	2.9
353.07489	2.9
359.12079	8.1
359.20679	2.2
361.22339	8.3
371.08804	83.2
372.09088	7.8
403.11298	69.9
403.19489	5.7
403.23734	14.2
404.11703	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01130	1.5
59.01380	23.4
61.98817	1.4
69.33945	7.7
69.35381	1.4
71.01360	4.2
72.99263	1.6
73.02927	4.3
80.05077	1.9
83.04996	1.3
85.02924	3.0
87.00871	2.0
88.26466	1.5
89.02412	2.4
93.03418	4.2
94.29822	1.6
95.05025	1.2
101.02429	3.4
108.04571	1.7
111.04537	1.8
112.01613	2.4
113.02428	4.8
113.09691	1.8
122.06124	10.9
123.08138	1.5
124.07658	1.7
125.06038	1.7
125.74988	1.5
126.90542	1.8
127.03986	3.9
130.02907	2.4
131.03748	5.5
132.04549	16.7
133.02922	2.2
133.04829	1.5
135.04469	5.1
137.02489	1.4
141.09254	1.8
143.10760	1.5
145.08728	2.3
145.36153	1.4
150.05569	3.3
155.03479	2.0
155.10736	2.7
158.02454	5.8
159.03203	2.0
160.04034	11.6
161.04602	3.2
162.05588	3.4
172.05293	2.2
173.04543	3.7
176.03554	8.6
176.07129	3.5
177.01805	1.9
179.03496	2.1
183.09171	1.9
187.07619	17.9
190.05067	16.4
191.05661	8.0
202.06358	2.6
209.07281	2.4
211.08769	3.2
211.12418	5.1
212.05864	4.2
212.10751	3.6
213.09158	5.9
214.06152	1.5
215.07191	4.0
215.11810	4.4
220.02682	1.9
223.08698	2.1
224.09505	19.0
225.07944	2.6
226.07394	4.5
227.08244	7.4
229.08774	1.6
231.06578	6.2
231.10318	9.3
239.08159	3.2
239.11884	31.6
240.08521	2.3
240.10275	5.6
241.09833	13.3
250.07413	3.5
253.06149	24.8
253.08830	2.3
253.09842	2.0
254.06665	3.6
255.07664	3.5
255.11359	9.0
257.08060	6.4
265.09683	2.9
267.07742	7.7
268.08475	11.6
275.09143	6.6
281.09332	9.2
283.10883	70.2
284.11224	5.2
306.07758	1.9
309.08835	20.3
310.09109	2.3
327.09839	78.8
328.10114	6.9
341.11600	2.8
343.21109	8.5
353.07611	2.7
359.12198	3.5
361.22281	33.5
371.08826	100.0
372.09207	10.8
403.11316	54.6
403.23346	18.7
404.11395	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27492	2.5
55.01857	7.1
55.84434	2.3
57.03423	2.5
59.01379	100.0
67.01869	7.0
68.99811	10.4
69.03455	25.2
69.25947	10.5
71.01012	4.1
71.01376	49.5
73.02943	6.5
80.38026	2.4
81.03477	2.6
85.02940	10.4
89.02448	52.7
93.03455	5.0
95.05025	28.9
99.00888	2.4
100.93414	2.6
101.02435	40.6
110.84947	2.3
111.00878	17.1
112.01672	18.9
113.02457	20.7
117.34707	2.3
119.03499	25.4
121.02958	87.1
123.04507	18.6
127.04010	39.4
127.05517	2.6
135.04491	3.5
137.06055	5.1
139.00378	19.1
139.03987	3.7
143.03497	6.2
144.00621	3.6
147.04515	3.7
149.02452	3.4
149.04564	3.1
158.04601	5.4
161.04529	7.3
165.05563	23.5
179.05585	15.8
179.07179	6.8
181.05061	7.1
191.03468	4.8
191.05626	5.1
194.79106	2.7
223.06097	18.8
229.04333	4.6
241.10965	3.6
276.16086	2.7
371.09811	28.0
403.19424	4.0
404.20798	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	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
57.83562	0.5
59.01376	32.5
61.46972	0.6
61.98829	2.6
66.10787	0.5
67.01854	0.7
70.96384	0.6
71.01376	14.2
73.02927	1.3
83.01377	2.0
85.02943	3.0
87.00877	0.9
89.02443	14.4
93.03444	0.6
95.01390	2.9
96.96001	0.9
99.00851	0.7
101.02443	10.0
108.02180	0.7
109.02989	1.2
111.00862	2.0
112.96528	0.6
112.98822	0.8
113.02441	6.0
119.03500	6.7
121.02935	1.5
123.00877	11.6
123.04510	1.5
127.00363	1.4
136.98801	1.3
137.02432	5.2
138.03233	12.8
139.00366	8.2
141.01880	0.6
149.04558	0.7
151.00339	1.2
151.04057	0.6
152.01122	1.7
152.04762	1.3
153.01677	1.1
153.05600	3.8
154.02701	1.1
161.04588	0.9
165.01927	10.9
166.02618	2.7
167.03506	4.5
179.03510	1.8
179.05560	1.0
180.04285	6.5
183.52357	0.5
191.05598	1.0
193.01402	19.5
194.01688	1.0
195.02644	1.1
195.06586	3.0
207.02988	1.8
208.03757	36.1
209.04114	2.0
219.46991	0.6
223.06100	100.0
224.06458	5.3
239.05754	0.6
286.94049	0.7
358.96149	1.0
373.18448	0.7
403.12280	8.4
403.16513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01736	1.2
61.97641	0.5
61.98829	1.8
68.07461	0.5
71.01394	2.1
73.02959	1.0
85.02968	1.6
101.02441	1.2
105.03497	1.2
113.02473	0.7
113.04351	0.6
125.02556	0.6
129.97859	0.5
132.02231	0.9
133.02960	9.7
133.03897	0.9
134.03757	5.8
135.04544	1.1
137.02467	1.6
139.03983	0.6
161.02377	0.5
161.04657	1.3
177.01907	2.7
178.02707	6.0
179.03505	1.5
197.25032	0.5
230.30595	0.6
258.05371	0.5
306.07449	16.0
307.07925	1.1
329.23483	2.8
403.14008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1396
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
55.24697	0.6
59.01381	9.3
61.98819	1.0
69.03466	0.8
71.01373	2.4
71.43343	0.7
71.80407	0.6
73.02943	0.9
83.01366	1.9
85.02966	0.9
87.00860	0.9
93.03475	1.0
93.82485	0.5
95.01369	1.8
95.52652	0.5
99.00913	0.6
101.02420	1.0
107.05006	1.4
108.02158	1.9
109.02959	3.1
111.00871	2.7
111.04500	0.8
112.01647	0.7
113.02444	1.9
119.05001	1.4
121.02996	1.5
123.00883	5.1
123.04507	1.9
124.01646	4.1
125.02428	2.1
126.03237	0.6
126.62656	0.6
127.00391	3.2
127.04002	1.4
129.03479	0.8
133.02953	5.4
134.03749	4.9
135.04544	6.6
136.01649	2.5
136.98804	1.9
137.02451	4.1
137.06087	0.6
138.03221	14.0
139.00374	16.8
139.04030	5.3
145.02933	1.5
146.03729	1.8
147.04518	13.3
148.01685	1.7
148.05299	1.2
150.03238	0.8
151.00372	1.3
151.03958	3.8
152.01161	1.2
153.01913	2.1
153.05606	1.3
154.02750	1.6
155.03470	1.8
159.03253	0.6
159.04509	3.7
160.05287	0.9
161.02467	1.6
161.06027	0.7
162.03157	1.3
162.06866	1.9
163.04021	4.9
164.04663	0.7
166.02711	5.5
172.05264	0.6
173.02391	2.0
173.04605	0.9
173.06029	0.7
174.03220	2.0
174.06870	0.6
174.89542	0.6
175.03995	2.0
176.01094	3.2
177.01930	3.5
177.05588	2.9
178.02728	7.0
179.03511	2.8
180.04323	0.7
186.03265	0.8
187.03972	0.7
187.07573	0.7
187.86636	0.7
188.04762	10.1
189.01970	2.1
189.05539	2.5
190.02756	1.2
191.03464	2.5
191.05605	2.4
193.05042	5.7
203.03517	3.3
203.10817	1.6
204.04294	1.9
205.04955	1.0
208.03888	0.8
212.74181	0.6
214.06258	0.7
221.04497	1.3
225.05635	0.9
226.06386	1.0
231.10223	1.1
232.09215	0.6
235.06024	0.7
242.05881	1.0
254.05812	1.7
257.08325	1.4
266.05939	0.8
267.06686	1.0
269.08102	1.0
270.05225	1.0
275.09149	3.0
275.23059	0.7
282.05396	0.9
285.07703	2.2
293.04480	1.0
295.06171	1.5
297.07581	1.1
298.04724	1.5
306.07419	10.1
310.05057	1.2
310.08395	1.0
313.07202	8.6
314.07614	0.9
315.08682	0.7
317.19644	1.4
325.07211	3.5
327.08594	1.2
328.06311	0.5
328.09476	29.4
329.09839	2.4
340.09454	2.9
343.08524	2.3
343.11835	60.2
344.12259	5.3
355.08139	1.3
355.11899	4.8
359.11804	0.7
373.09137	9.9
373.12958	16.5
374.09137	1.0
374.13361	1.4
387.10767	1.2
388.11612	11.6
389.12039	0.8
403.13977	100.0
404.14297	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	403.1507
Annotation	1-Nitroaknadinine
Peak:m/z	Relative Intensity
54.77075	0.5
55.01874	1.3
59.01379	13.3
61.98823	1.2
62.82552	0.5
69.03458	0.9
71.01370	3.6
71.04992	0.7
73.02943	1.0
78.34558	0.4
80.05025	0.5
85.02959	2.5
85.54868	0.5
87.00871	0.6
89.02441	3.7
92.05053	1.2
93.03450	2.6
94.03022	0.5
94.80395	0.6
101.02452	2.2
108.04548	4.1
110.06125	1.1
111.04543	1.4
112.01650	4.5
113.02438	3.6
116.05053	0.6
119.03484	0.9
120.04552	100.0
121.02930	0.7
121.04887	2.5
122.06115	1.2
123.04512	0.7
123.36902	0.5
127.00360	1.2
127.04015	9.4
130.02966	2.9
131.03786	6.4
132.04549	9.0
133.02954	0.9
133.04906	0.5
134.09729	0.5
135.04535	2.3
137.06085	0.8
138.05614	7.2
139.05962	0.6
144.00655	1.0
146.06133	3.3
147.03258	1.1
148.04047	1.8
150.05614	16.6
151.06012	0.6
155.03477	0.9
158.02483	13.1
158.03714	1.0
158.93828	0.4
159.02937	0.6
160.04066	1.5
161.04605	0.8
162.05615	6.0
164.07150	0.9
168.06656	43.1
169.07027	1.6
173.04553	1.6
173.05972	0.6
174.06798	0.6
175.02728	0.7
176.03807	3.0
177.81851	0.5
179.03444	1.7
179.05666	0.4
183.81412	0.5
185.00352	0.5
187.07629	4.5
190.05089	51.4
191.03976	0.6
191.05484	3.8
192.06651	1.6
197.11832	1.9
202.06493	0.8
213.09279	1.1
215.07077	1.0
222.07704	50.1
223.08006	2.8
229.04323	1.5
231.06779	1.2
231.10355	3.5
232.17136	0.7
234.07767	0.7
241.10941	3.4
257.08203	3.0
275.09271	3.4
276.16101	0.7
281.09247	1.0
283.11414	1.5
285.03949	0.9
307.07657	0.6
309.08826	1.0
327.09885	1.5
327.17917	0.7
341.11685	0.9
343.13843	1.4
346.07977	1.0
355.12955	5.8
359.11530	0.6
361.22314	0.9
371.08548	0.6
371.12637	2.6
373.13922	2.3
385.14111	1.0
403.15146	85.1
403.19403	4.6
404.15466	9.3
404.20712	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	403.155
Annotation	4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
53.44773	1.4
59.01369	4.2
60.55499	1.6
61.98835	9.4
70.63737	2.5
96.96003	1.5
98.26507	1.4
99.92568	1.9
101.15057	1.6
103.01540	1.7
119.05013	4.3
122.03739	10.5
123.04498	3.1
135.04543	1.9
137.02423	2.0
147.04491	3.6
150.03178	6.9
151.04001	5.2
157.06549	2.1
157.23087	1.5
162.03221	18.5
163.03659	2.2
169.06590	1.8
177.05562	5.9
185.06125	2.6
197.09660	3.7
203.61586	1.6
209.06075	5.7
211.07584	4.9
213.09189	10.1
220.42107	1.6
225.09145	3.0
227.07025	2.3
237.05539	20.4
238.06001	2.5
239.07039	3.5
241.08691	27.8
242.09158	4.8
251.07227	4.0
252.07832	3.2
265.05029	31.0
266.05704	3.8
267.06506	2.9
279.06586	6.2
280.07239	3.8
323.10699	2.9
325.12198	6.3
328.10864	4.7
343.13379	24.0
344.13583	2.5
353.11832	10.2
354.11935	1.6
356.10519	11.6
371.12857	100.0
372.13199	12.4
389.13843	5.6
403.15491	47.7
404.11111	2.8
404.15778	6.0
415.12033	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01860	1.3
57.23709	1.3
59.01378	63.1
61.98828	28.0
66.92839	1.2
69.03441	2.0
69.62292	4.4
71.01381	24.6
73.02914	6.4
73.71393	1.2
80.93568	1.3
82.95405	2.0
83.01340	2.3
85.02943	6.0
87.00887	3.1
89.02436	19.2
93.03455	2.6
93.47952	1.3
95.01390	2.3
96.96010	8.9
99.00878	1.8
101.02431	14.1
107.04996	1.5
110.05908	1.3
113.02448	12.3
116.92869	1.7
118.30030	1.4
119.03516	7.4
123.04470	1.3
127.04013	2.2
131.03394	1.9
135.04538	2.3
135.80377	1.3
136.05289	4.7
143.03474	2.1
148.05270	1.7
150.06863	19.8
151.07625	17.5
154.68330	1.5
161.04564	5.5
161.09734	1.3
162.06847	24.0
163.04045	2.0
163.07634	20.9
165.05548	1.6
167.03395	3.3
167.07036	2.2
167.78893	1.2
173.04558	2.6
177.09352	1.4
179.03401	2.0
179.05611	2.6
179.10719	1.5
180.07921	70.6
181.08693	100.0
182.09027	5.7
191.05563	4.8
202.82304	1.3
207.40448	1.7
223.09709	4.2
241.14360	1.5
343.13882	11.7
388.85019	1.3
403.15970	44.4
403.19922	2.1
404.16397	5.0
404.21158	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	403.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
59.01381	2.4
61.98827	7.9
69.30573	0.5
69.30970	0.9
71.01386	1.9
73.02936	0.7
83.01353	0.2
85.02934	1.0
91.03984	1.1
91.05526	0.3
98.21899	0.5
99.08147	0.5
101.02438	1.1
113.02450	0.8
121.62666	0.2
149.06067	0.4
150.06857	16.9
151.04034	0.3
151.07207	0.6
153.05492	0.3
157.56203	0.2
161.04552	0.9
165.05527	0.5
171.10260	0.5
183.13924	0.5
183.85315	0.3
185.09650	0.3
211.13376	2.5
229.14476	1.5
241.12318	100.0
242.12650	7.9
311.22290	1.0
329.23288	6.9
330.23749	0.5
336.35828	0.3
403.14655	0.4
403.19550	0.4
404.20621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66285	0.4
59.01377	100.0
60.01707	0.8
61.98833	0.6
68.00755	0.4
69.54197	1.8
71.01395	0.9
73.02947	1.0
82.52553	0.4
85.02948	0.4
98.21835	0.6
101.02454	1.0
105.03468	0.9
107.66216	0.4
116.25646	0.4
125.02449	0.7
126.03293	0.5
127.04045	0.4
133.02950	8.5
134.03748	7.1
135.04575	1.0
136.01657	0.6
137.02449	2.8
139.04044	1.1
150.03232	0.5
161.02438	0.5
176.04793	0.4
177.01871	2.4
178.02713	8.7
179.03464	1.3
231.10193	0.6
233.08183	0.5
265.26804	0.5
274.07907	0.4
275.09430	0.5
306.07452	16.2
307.07925	1.2
403.14319	0.5
404.21252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01708	1.1
60.79301	0.6
61.98836	0.7
64.60136	0.4
68.99812	0.5
71.01387	1.9
85.02947	1.0
89.02414	0.6
95.05025	0.9
97.56386	0.5
101.02425	1.2
105.03468	2.6
106.04311	1.0
107.68845	0.5
113.02468	1.3
121.02998	1.2
125.02496	1.3
126.03265	1.2
127.04031	0.9
132.02194	1.3
133.02956	24.4
134.00371	0.6
134.03743	15.4
134.04704	0.8
135.04576	3.5
137.02446	4.4
139.04037	1.8
154.41856	0.6
157.08762	1.1
160.01682	1.7
161.02441	0.8
177.01920	8.4
178.02713	17.3
179.03511	3.0
187.07651	0.7
188.04486	0.5
197.09790	1.5
217.10915	1.2
231.10234	0.7
241.08800	1.0
257.08252	0.7
274.70953	0.5
275.09286	1.2
288.06650	0.8
306.07434	40.2
307.07788	3.8
322.50977	0.5
389.96216	0.5
390.74637	0.5
403.14487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	30.3
61.98827	100.0
82.47095	10.6
95.51159	10.1
96.95979	11.6
115.58594	13.5
177.94145	12.2
273.88208	12.1
365.13986	17.8
403.15390	27.5
425.96683	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33371	14.3
59.74988	13.6
61.98837	100.0
63.64523	14.5
64.96485	12.0
69.40347	64.5
74.84667	14.0
76.66122	13.0
96.95998	23.9
98.22663	24.5
178.00635	12.3
183.15796	12.2
238.67540	13.0
401.74210	14.5
403.15445	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	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04716	15.3
59.01353	37.4
61.98824	100.0
70.43121	37.2
70.43465	16.2
96.95999	15.0
98.22643	18.8
99.30416	16.5
116.49873	17.5
144.16866	19.9
181.10092	17.4
245.88322	15.2
316.35764	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69393	25.8
59.01374	100.0
61.98824	89.2
65.64394	22.5
65.84901	23.3
69.73046	83.3
79.14725	23.1
87.00898	65.4
101.27823	25.4
141.01720	25.6
143.90375	24.4
171.13927	47.1
197.05917	25.3
198.89063	27.0
237.72299	30.7
305.08502	46.2
321.05353	27.8
367.13849	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	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07330	6.4
57.26404	8.1
58.72120	7.0
61.98544	8.4
61.98833	100.0
67.95275	8.1
85.00427	13.5
90.98402	7.0
92.53928	7.4
98.22600	22.2
121.02984	7.8
147.53294	7.6
196.76271	7.0
283.27005	7.9
306.38641	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19984	9.9
57.32388	11.7
61.98832	100.0
63.60070	12.3
65.20987	10.6
71.42427	11.5
75.40054	11.9
78.95885	24.3
91.06002	12.5
146.42696	13.0
151.45872	11.8
273.79553	11.7
276.05206	12.1
311.94086	13.3
361.39484	12.3
403.15033	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01729	0.9
61.98826	9.5
71.01386	2.4
71.43548	0.8
74.87560	0.8
81.48015	0.7
85.02939	1.7
89.02448	1.3
92.02544	3.4
93.03465	0.8
106.03816	1.2
112.01665	1.8
113.02448	1.4
117.04588	3.3
118.02983	15.7
127.04003	5.5
133.02959	8.5
134.03470	4.0
134.03668	4.2
135.04097	2.7
136.04837	1.2
137.02428	2.3
139.04050	0.8
141.04587	1.9
142.04102	38.5
144.05684	4.8
155.10779	1.9
168.05667	33.5
169.05972	1.8
169.26344	0.8
177.01944	2.1
178.02739	7.9
179.03154	4.2
202.98601	0.9
212.04636	42.8
213.05017	1.8
241.08394	0.8
306.07468	9.7
307.07739	16.3
308.08066	1.0
405.16660	1.0
405.21490	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.30881	0.3
98.22749	0.5
118.63674	0.3
178.26941	0.3
192.86659	0.3
243.34279	0.3
400.01398	0.3
404.10620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18039	0.3
59.78854	0.3
61.98829	100.0
68.48484	0.3
98.89115	0.3
104.28120	0.3
188.16400	0.2
212.82887	0.3
309.63327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	9.1
60.13367	2.1
61.98805	10.2
63.69926	2.2
66.93488	2.2
69.03440	2.1
69.90282	4.3
69.90607	3.9
71.01353	3.8
73.02933	5.5
79.98809	1.9
83.05013	10.9
83.43304	1.7
84.93862	3.6
85.02985	2.9
87.00887	2.6
89.02422	3.8
89.50610	1.8
97.02946	10.3
97.77051	1.9
99.92587	29.8
100.93352	26.7
102.20187	1.8
108.02182	12.1
109.06575	3.4
115.92078	33.1
116.92868	32.4
120.99613	4.9
123.00894	2.9
124.73029	1.9
125.02419	9.5
126.04298	2.0
133.02945	6.1
134.03746	21.3
142.94434	3.3
149.06023	3.4
153.05737	2.3
168.95987	28.6
173.04572	4.4
175.04025	3.0
178.02664	5.0
192.95996	4.4
193.05077	12.6
209.96277	2.1
210.97031	42.4
215.98256	31.8
216.95915	3.9
217.96831	11.6
224.95001	2.5
228.98076	39.4
231.00644	14.0
232.13150	2.2
261.95709	14.5
318.16998	5.5
324.11935	2.3
342.20914	2.4
345.12000	2.9
350.03519	2.0
360.21912	10.8
384.53964	2.3
386.19238	2.4
387.01654	17.4
390.03934	2.9
404.20743	100.0
405.02197	12.4
405.05991	24.3
405.21054	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	404.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	9.1
60.13367	2.1
61.98805	10.2
63.69926	2.2
66.93488	2.2
69.03440	2.1
69.90282	4.3
69.90607	3.9
71.01353	3.8
73.02933	5.5
79.98809	1.9
83.05013	10.9
83.43304	1.7
84.93862	3.6
85.02985	2.9
87.00887	2.6
89.02422	3.8
89.50610	1.8
97.02946	10.3
97.77051	1.9
99.92587	29.8
100.93352	26.7
102.20187	1.8
108.02182	12.1
109.06575	3.4
115.92078	33.1
116.92868	32.4
120.99613	4.9
123.00894	2.9
124.73029	1.9
125.02419	9.5
126.04298	2.0
133.02945	6.1
134.03746	21.3
142.94434	3.3
149.06023	3.4
153.05737	2.3
168.95987	28.6
173.04572	4.4
175.04025	3.0
178.02664	5.0
192.95996	4.4
193.05077	12.6
209.96277	2.1
210.97031	42.4
215.98256	31.8
216.95915	3.9
217.96831	11.6
224.95001	2.5
228.98076	39.4
231.00644	14.0
232.13150	2.2
261.95709	14.5
318.16998	5.5
324.11935	2.3
342.20914	2.4
345.12000	2.9
350.03519	2.0
360.21912	10.8
384.53964	2.3
386.19238	2.4
387.01654	17.4
390.03934	2.9
404.20743	100.0
405.02197	12.4
405.05991	24.3
405.21054	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	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98828	100.0
70.81918	0.3
73.02950	0.6
78.95923	0.6
97.02951	0.5
111.00909	0.4
136.05389	0.5
154.61035	0.4
231.10414	0.4
315.16824	0.4
341.19568	2.6
360.20557	0.6
404.20810	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	404.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84866	0.6
57.03445	0.9
61.98825	1.9
66.03484	0.8
68.92780	0.6
69.03439	1.9
69.39684	2.4
71.05007	2.0
73.02940	4.5
82.02986	0.8
82.94371	0.6
83.05018	1.8
85.06583	0.8
87.04520	0.9
95.05042	1.6
96.04563	0.7
97.02957	2.7
98.21838	1.3
102.25009	0.7
105.07066	0.6
108.04505	0.6
109.02934	1.8
109.06578	1.6
110.06135	0.9
111.04518	1.6
115.04009	9.6
119.08639	2.1
120.08211	1.1
120.98560	0.6
121.06580	0.7
121.10195	0.6
122.03734	1.0
122.09738	1.7
126.05587	0.9
126.09228	0.7
128.07227	0.6
137.06076	12.4
145.10265	0.9
147.11801	0.9
148.07681	1.3
154.09579	0.6
163.07631	2.8
164.07141	0.7
166.08693	3.0
168.10294	1.5
171.66530	0.6
174.12932	0.7
175.11232	1.4
184.09767	6.8
186.11331	0.9
202.10815	1.2
212.12967	0.6
265.66824	0.6
286.18079	1.8
320.99750	0.6
324.19608	0.9
330.16949	1.0
342.20792	3.5
348.17661	0.7
360.21805	2.0
376.17596	1.9
386.19681	8.1
387.20032	1.0
404.20764	100.0
405.21143	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	404.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
59.01380	9.9
61.98830	3.6
67.01893	1.1
69.03454	23.8
69.28577	2.6
71.01376	2.7
71.05024	1.1
73.02942	5.0
74.02468	0.7
80.85089	0.6
83.05023	6.9
84.02171	1.1
84.04552	1.7
84.93876	1.3
85.02946	2.2
93.03426	1.0
95.01427	0.7
97.02950	100.0
97.06592	1.1
98.03214	1.4
98.03734	2.6
98.21909	1.3
99.04517	4.7
99.92577	11.7
100.93353	13.8
101.02450	0.8
107.05032	1.2
108.02166	4.6
109.02965	1.0
109.06590	1.1
110.06117	1.0
112.01694	0.9
112.04016	1.0
114.05629	0.6
115.04008	2.0
115.92075	15.8
116.92862	14.3
121.06671	0.9
123.00891	1.2
123.08164	1.2
125.02437	3.4
125.06079	2.4
128.03534	1.4
133.03000	1.4
134.03732	6.1
142.94406	2.1
143.04599	1.8
149.02429	0.8
149.06117	1.2
150.94868	0.6
153.01941	2.0
160.01717	0.7
161.04562	0.9
163.11301	0.8
168.04254	1.6
168.95993	10.8
172.11246	0.6
173.04553	1.4
175.04001	0.8
176.77654	0.6
178.02696	1.5
183.06627	2.5
191.48756	0.6
191.95137	0.7
192.95975	2.2
193.05084	2.9
209.96259	1.2
210.97031	19.4
210.99016	1.1
212.12883	0.6
215.95161	0.7
215.98285	7.9
216.96021	1.3
217.96736	4.3
224.94960	1.8
225.95718	0.7
228.98091	14.5
231.00591	3.5
233.96242	0.9
250.14534	3.2
260.96945	1.1
261.95755	5.7
272.08823	1.3
276.98187	1.1
292.97540	1.7
306.07623	2.8
318.17078	1.0
322.05417	0.6
342.20645	2.3
353.98318	0.9
360.17493	1.3
360.21793	19.0
361.21985	2.2
365.41650	0.9
386.19647	1.3
387.01794	8.6
390.00183	0.7
404.20761	59.9
405.02679	8.6
405.06497	4.4
405.21173	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	404.2075
Annotation	Icacine
Peak:m/z	Relative Intensity
57.03440	0.8
59.01375	1.3
61.98830	4.0
65.03957	0.6
66.03479	0.8
67.01888	0.6
69.03445	1.4
71.01392	1.2
71.05001	2.3
73.02946	4.6
82.02987	0.9
82.51006	0.5
83.05008	1.1
84.04559	1.2
85.02959	1.1
85.06588	1.0
87.04510	0.9
93.03453	0.7
93.41773	0.5
95.05020	1.8
96.04546	1.3
97.02924	3.2
98.03772	0.7
98.21846	1.1
99.04525	0.6
102.18178	0.5
105.07075	0.5
109.02970	1.3
109.06589	0.9
110.06091	0.8
110.15179	0.5
111.04510	1.9
111.08145	0.5
113.02398	0.8
115.04008	10.0
119.08652	1.7
120.08195	1.4
121.06580	0.9
121.10197	0.6
122.03735	0.9
122.06117	0.5
122.09745	1.7
126.05570	0.7
126.09247	0.8
127.04067	0.5
129.05602	0.8
133.10208	0.9
135.04506	0.5
135.08075	0.6
136.07617	0.7
137.06076	14.7
139.07657	0.5
145.10233	1.7
147.11748	0.7
148.07788	1.1
150.09294	0.6
161.04553	1.0
163.07642	2.7
166.08701	2.5
168.10320	0.8
174.12772	0.6
175.11263	1.0
176.10698	0.5
176.60577	0.6
184.09787	8.0
186.11256	1.0
202.10854	0.9
206.11882	0.7
226.16005	0.7
238.10693	0.6
249.13690	0.6
275.16617	0.9
286.18134	1.8
324.19656	0.7
330.17139	0.6
342.20740	2.9
360.21515	1.2
376.17697	0.9
386.19769	8.9
387.19934	1.3
404.20752	100.0
405.21207	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	404.2079
Annotation	Tuberostemonone
Peak:m/z	Relative Intensity
55.01872	4.4
56.00854	0.4
57.03444	0.6
59.01379	5.7
61.16571	0.3
61.98821	1.7
64.27467	0.4
64.91877	0.4
65.40804	0.3
66.19461	0.4
67.01888	5.8
67.30902	0.4
69.03464	0.7
69.13494	2.1
70.33895	0.4
70.65453	0.3
71.01375	2.9
73.02942	1.0
79.01869	0.4
81.03440	0.6
83.05035	0.4
84.02165	1.1
85.02953	1.7
87.00878	0.8
89.02461	2.1
93.03455	0.7
95.01385	21.2
95.05016	0.5
96.02181	1.1
98.22696	0.8
99.04507	0.9
101.02437	1.0
107.05032	0.5
109.02956	0.4
111.00877	1.2
111.04519	1.1
112.01665	20.0
113.02516	1.9
116.92865	0.4
119.03515	0.8
120.04549	1.4
121.04855	0.5
121.06580	1.0
122.03723	0.5
122.09743	0.8
123.00889	21.0
123.04545	0.8
124.01231	0.4
124.74369	0.4
125.02445	2.0
125.06093	0.5
127.04010	23.9
128.04366	0.7
128.88179	0.4
135.04509	1.2
136.05328	0.6
137.06114	1.8
138.03181	0.5
139.11253	0.8
140.01158	7.7
143.03615	0.4
144.00644	3.5
147.08145	0.5
148.07683	0.5
149.09769	0.7
150.05544	0.4
151.07681	1.1
153.09219	0.5
155.03502	100.0
156.03844	3.2
159.02884	0.5
159.08104	0.5
161.04579	0.8
161.06064	0.7
166.02672	0.4
167.10780	0.7
173.04562	0.6
179.05719	0.5
181.05078	1.2
181.12404	0.5
183.10226	0.4
187.09821	0.6
190.05135	0.7
191.05554	1.2
198.06364	0.7
214.15974	0.6
222.14984	8.8
223.07986	0.7
232.17075	1.2
243.12381	1.7
252.16110	0.5
262.18076	4.4
263.18338	0.4
276.09692	0.5
276.16092	2.1
278.13882	0.6
284.20224	1.1
288.15961	0.6
300.19556	0.6
328.10275	0.4
328.19162	8.7
329.19537	1.0
360.21762	1.7
372.17993	0.8
404.11115	0.7
404.15524	1.8
404.20511	11.1
405.16602	0.6
405.21021	1.1
405.25146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81718	3.6
55.01889	4.0
57.02001	4.3
58.17572	3.4
58.88105	3.3
59.01374	14.6
59.43286	3.3
61.98830	100.0
64.60628	3.2
70.95628	5.3
71.01392	3.5
85.47374	3.3
112.01668	7.9
127.04030	24.1
134.19351	3.9
144.63660	3.3
192.28108	3.3
232.17224	4.3
271.00681	3.5
335.82568	3.6
404.20834	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	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
59.01366	1.9
59.44331	1.6
61.98830	100.0
71.23696	1.6
71.41552	2.1
88.61264	1.9
112.01665	5.7
114.12331	1.7
115.41828	1.9
116.40788	1.9
120.21588	1.7
127.04008	18.8
133.02933	2.0
138.09274	2.4
144.00656	2.7
150.24968	1.9
162.83977	2.8
404.21063	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95785	2.1
53.21291	1.9
59.01372	5.1
61.98828	100.0
67.72578	2.3
71.01376	2.7
71.43623	2.3
73.36076	2.5
96.36074	1.9
115.08817	2.1
116.92911	3.2
132.38751	2.3
180.66640	2.0
192.27090	2.3
199.72447	2.0
202.28267	2.5
405.26505	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	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01377	100.0
60.01700	0.9
61.98818	1.9
69.40062	1.4
69.40412	3.4
71.01379	29.5
73.02937	2.9
83.01382	1.6
85.02949	5.4
87.00901	1.8
89.02443	34.9
93.03481	1.5
95.01407	1.2
96.60326	0.7
98.22585	1.0
99.92575	7.1
100.93358	12.8
101.02438	13.9
106.04268	1.3
108.02188	4.3
113.02450	10.9
115.92058	8.2
116.92856	10.6
119.03507	14.2
121.06598	2.4
123.04539	7.3
125.02448	2.9
131.03516	2.4
133.02930	1.8
134.03757	4.5
137.02477	0.7
139.47867	1.0
142.61726	0.8
142.94409	1.2
143.03505	3.2
147.93303	0.8
149.06076	1.2
161.04581	7.2
165.05531	4.5
168.95978	7.5
173.04588	1.3
178.02737	1.8
179.05626	13.0
183.10248	1.5
191.05725	0.9
192.95998	1.6
193.05017	4.7
210.97041	11.8
211.97165	0.9
215.98305	9.8
216.95911	1.8
217.96815	4.0
221.06606	4.3
228.98160	7.2
231.00613	4.0
261.95673	2.8
345.11981	4.4
368.77121	0.8
369.55490	0.9
378.62604	0.8
387.01788	5.4
405.01962	2.9
405.05844	7.4
406.02728	0.9
406.22290	1.7
411.08420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03440	2.5
59.01376	100.0
67.01894	1.5
71.01378	26.9
71.05030	2.3
71.42285	1.2
73.02951	10.5
80.02676	2.0
83.01385	4.9
83.05008	1.3
84.93857	5.8
85.02950	13.2
87.00880	5.8
89.02435	9.4
93.03456	5.1
95.01377	4.6
95.05051	2.1
97.02943	3.4
99.00875	4.5
99.92578	44.0
100.92659	2.8
100.93356	40.3
100.94039	2.0
101.02435	18.1
101.93391	1.7
106.04237	7.1
108.02172	24.6
109.02946	1.5
111.00869	1.4
111.04527	2.7
113.02461	14.4
115.03999	2.5
115.92071	64.7
116.92089	4.2
116.92848	52.1
117.03464	2.3
117.92876	2.4
119.03500	2.8
119.05013	1.5
120.99634	1.6
121.06586	9.8
123.00874	3.4
123.04519	62.9
124.04865	1.7
125.02437	15.8
125.06198	1.3
131.03519	9.1
133.02969	10.5
134.03745	28.6
137.02428	2.6
139.11264	1.6
142.94426	9.7
143.03445	2.7
147.04527	2.0
149.02472	2.7
149.04568	1.1
149.06039	7.4
155.01733	1.4
159.03000	3.1
160.01659	4.3
161.04553	26.5
162.04860	1.4
164.04736	2.2
165.05550	31.0
168.95973	44.7
169.96046	3.7
173.04590	7.6
175.03951	6.1
178.02724	9.5
179.03279	1.6
179.05670	3.2
183.10257	14.5
191.95152	1.7
192.95963	8.8
193.05051	18.7
208.95532	3.7
209.96214	3.0
210.97025	72.8
211.97125	4.5
215.98271	52.4
216.95918	6.3
216.98615	2.4
217.96724	21.7
218.97382	1.8
219.98218	1.3
221.06653	33.4
224.94962	4.1
225.95709	2.0
227.97252	3.8
228.98064	54.6
229.98218	2.5
231.00597	24.5
232.00949	1.5
233.96284	2.7
255.04184	1.2
261.95724	26.9
261.98502	1.9
262.96332	3.2
263.97253	1.3
272.16541	1.1
276.97980	3.3
292.97559	4.2
318.20752	1.4
327.10889	4.2
345.11783	7.3
345.15634	3.5
346.12299	1.3
353.98343	2.5
362.19794	4.3
387.01791	28.2
388.01907	2.2
388.21228	2.1
390.00208	4.6
390.03897	4.5
405.02115	20.8
405.05908	45.5
405.17502	4.7
406.02582	3.3
406.22229	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	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	0.6
61.98830	3.9
69.63708	1.5
71.01387	1.9
72.96113	0.5
89.02466	2.0
96.96019	1.0
101.02429	0.8
101.83455	0.5
113.02486	0.7
115.00927	0.5
117.51436	0.5
119.03514	1.1
123.16927	0.5
139.04030	1.3
143.17796	0.4
147.97426	0.5
150.03226	0.8
153.01898	2.4
153.05638	0.6
156.91098	0.5
161.04649	0.8
168.04298	3.5
183.06625	15.6
183.08235	0.8
184.07030	0.9
185.91788	0.5
189.03427	0.5
214.94316	0.5
223.77997	0.5
273.45483	0.5
311.33490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.4
57.03444	5.1
59.01378	100.0
60.01701	1.4
61.98832	13.9
68.93127	1.0
69.03450	1.2
69.26799	1.2
70.64530	2.9
71.01381	45.1
71.75243	1.1
72.01724	1.5
73.02943	8.4
83.01377	3.2
85.02941	14.1
87.00874	2.2
87.04519	8.0
89.02444	51.7
90.02795	1.2
95.01379	3.7
95.05017	2.3
97.02956	1.6
99.00827	1.4
99.04502	1.5
101.02440	28.5
113.02454	21.9
115.04008	1.7
116.92832	1.4
119.03498	20.8
122.06050	1.1
131.03517	2.5
139.04012	18.9
143.03496	6.0
144.45164	1.1
149.04628	1.4
149.09700	3.2
161.03616	1.0
161.04579	11.6
167.10739	6.0
179.05634	16.9
181.12381	1.4
183.10399	1.4
191.05513	1.5
229.98781	1.5
243.06432	1.5
243.15965	4.0
276.15933	1.4
288.15979	4.8
306.20398	1.9
334.20166	2.5
345.15475	2.2
361.14883	2.2
362.19711	3.7
405.17264	4.9
405.22021	6.6
406.17957	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	405.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
59.01372	6.6
69.03450	3.3
71.01392	1.9
71.42112	1.7
71.55337	1.6
73.02941	3.4
85.02953	1.5
89.02486	2.9
92.43295	1.7
97.02949	4.1
101.02412	1.9
106.83801	1.6
107.05058	2.8
113.02460	2.7
115.04006	3.3
135.00900	3.7
135.04541	2.0
136.01593	4.4
137.02438	16.6
137.06085	5.2
146.03755	5.6
147.00847	2.8
147.04495	2.0
150.03233	2.8
151.03990	15.0
161.06021	2.1
164.01167	5.1
164.04790	7.4
165.01926	97.5
165.05583	5.6
166.02275	2.4
179.03490	58.8
179.07072	13.5
180.04283	56.6
180.05663	1.3
180.05908	2.3
181.04654	2.7
194.05855	8.2
195.02927	2.3
195.06609	70.4
196.06914	1.9
210.05354	12.5
211.05789	1.7
225.07664	50.2
226.08055	2.9
239.07117	2.3
243.10304	12.6
256.07504	2.9
283.06027	3.5
299.09207	14.2
300.09509	1.9
312.10071	2.7
327.08759	49.4
327.12350	4.7
328.09061	4.6
342.11136	29.5
343.21085	2.1
357.13419	100.0
358.13812	13.8
387.20016	3.7
404.20871	3.1
405.21225	27.2
405.26035	3.3
406.22534	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01334	1.2
61.98828	6.9
63.01472	0.3
71.01339	0.5
71.42224	0.3
73.02937	0.4
84.23732	0.2
85.02902	0.4
113.02409	1.0
117.57290	0.2
120.93290	0.2
122.03693	1.2
123.04540	2.2
124.05289	0.4
125.02438	0.4
137.02393	0.4
137.06032	0.4
138.03214	2.9
139.03964	0.8
151.04005	10.0
152.04794	24.4
153.05128	0.6
154.02675	0.3
155.03461	0.3
160.15744	0.3
166.02696	2.4
167.03439	0.5
201.78015	0.3
211.76970	0.3
225.09158	0.6
228.07825	0.3
241.08710	0.7
242.09409	1.5
243.10249	100.0
244.10585	7.3
395.83389	0.3
405.15643	10.8
405.21039	1.5
406.19153	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41414	0.6
57.85564	0.6
59.01382	3.6
61.98831	11.2
70.64435	0.7
71.01359	0.9
80.78892	0.6
81.92669	0.6
89.02406	1.4
90.38878	0.6
93.03437	3.6
101.02458	0.7
105.03426	1.2
111.01073	0.7
121.02956	4.7
121.12602	0.6
122.03741	11.2
123.04529	0.9
133.02950	1.6
134.03723	3.1
136.01646	1.4
137.02406	0.8
137.06111	1.2
149.02443	39.7
150.03223	84.0
151.03734	2.2
161.02426	5.0
163.07640	1.4
164.04799	10.0
165.05566	100.0
166.05893	3.1
167.86581	0.8
171.08101	1.2
173.06136	0.9
175.07541	1.1
176.04712	3.8
179.03479	9.7
180.04314	7.2
185.17523	0.7
185.19164	0.7
189.09189	4.7
191.07130	1.7
194.05833	10.5
195.06618	54.8
196.06987	2.7
197.55070	0.7
203.83507	0.8
207.10260	34.7
208.10622	2.5
209.08192	19.7
210.08548	1.2
213.09120	0.8
225.09254	4.1
227.88023	0.7
243.10219	3.2
342.11087	5.3
351.76016	0.8
357.08972	1.6
357.13428	25.7
357.17749	1.6
358.13821	2.3
369.15521	7.5
406.22260	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	405.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.0
61.98831	10.2
66.82284	0.7
71.01386	0.9
89.02447	1.0
93.03439	4.2
97.30485	0.8
100.83301	0.7
102.24474	0.7
105.03462	1.0
121.02962	5.9
122.03738	12.2
132.02173	0.7
133.02959	2.0
134.03748	2.1
136.01688	0.8
137.06111	1.4
149.02438	44.1
150.03229	95.1
151.03738	3.2
160.05298	1.4
161.02454	7.6
161.06142	0.9
161.09677	1.7
162.03273	0.8
163.07617	2.1
164.04770	9.9
165.05569	100.0
166.05916	4.6
167.21718	0.8
171.08107	1.1
175.07663	2.1
176.04808	4.6
179.03491	11.4
180.04279	7.1
188.96268	0.8
189.09232	4.2
191.07170	1.4
194.05804	12.6
195.06619	55.3
196.06950	2.3
207.10271	35.3
208.10597	1.1
209.08189	18.9
210.08641	1.3
225.09183	2.8
243.10347	2.4
342.11136	5.1
357.13434	29.4
358.13800	3.6
369.15619	8.6
370.15860	1.2
405.21112	1.4
406.22308	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	405.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
59.01365	0.4
59.05965	0.1
61.65287	0.1
61.98826	1.2
71.01373	0.5
73.02950	0.4
81.03452	20.0
81.12128	0.1
82.03795	0.4
85.02930	0.3
87.00851	0.1
93.03448	0.9
93.07125	0.3
95.05044	1.0
101.02451	0.3
102.03490	0.2
106.04239	0.6
113.02431	0.3
119.05038	0.2
122.03737	0.2
123.04459	0.2
136.05316	0.3
137.06078	100.0
138.06415	3.6
149.06125	0.7
149.07060	0.1
159.08206	0.2
161.04565	0.3
161.05916	0.1
165.05489	0.2
187.07642	0.2
197.09682	0.3
199.11325	0.1
241.08812	0.2
243.10234	92.6
244.10582	6.7
279.07599	0.2
285.18344	0.3
319.21124	0.2
405.15237	0.8
405.21219	0.4
406.22562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01167	0.7
59.01381	8.6
61.98828	24.6
69.54017	3.3
71.01379	2.7
71.31287	0.8
73.02957	1.4
84.48362	0.8
85.02982	1.4
89.02450	1.1
93.03468	3.9
100.98782	0.9
101.02461	1.2
111.04434	0.9
113.02455	1.2
121.02937	4.5
122.03744	13.0
132.29117	1.1
133.02992	1.6
137.06052	1.8
149.02431	13.7
150.03229	89.9
151.03647	4.0
161.02435	6.6
164.04825	3.6
165.05566	100.0
166.05905	3.8
170.06876	0.8
176.04799	3.8
179.03506	11.3
180.04291	7.3
191.07141	0.9
194.05856	12.4
195.06621	60.4
196.06952	2.9
208.03760	1.1
209.08200	20.1
210.08658	1.1
225.09175	1.2
243.10281	2.4
330.90140	1.1
356.18054	0.9
357.13397	1.1
405.14859	1.9
405.21167	3.2
406.22498	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98803	5.6
69.13895	24.5
70.41123	4.1
71.01369	14.7
73.02934	13.2
74.01228	4.8
75.00874	7.7
85.02935	6.6
89.02458	8.2
93.03461	7.5
98.21895	11.3
101.02446	14.8
113.02445	20.8
119.03488	8.5
123.08099	5.5
135.04527	7.6
135.13560	4.4
135.68568	5.5
137.06018	4.4
137.39346	4.3
139.04100	7.4
172.96474	4.9
174.01668	4.7
191.05475	5.3
243.10138	10.1
257.21420	5.1
291.14215	6.9
299.13806	7.3
301.20142	13.6
319.21213	43.4
361.22394	27.4
363.23184	7.4
405.16702	18.4
405.25113	8.4
406.18024	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	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86421	30.0
61.98806	100.0
69.39259	76.3
69.39645	55.3
96.88506	31.3
97.62038	26.9
112.30935	28.2
145.18510	31.8
160.84238	45.9
162.83948	93.9
170.52727	32.5
207.13895	88.4
322.47336	34.7
373.17145	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
61.98825	7.7
69.58531	2.3
71.01379	1.1
73.02955	0.7
89.02444	0.7
93.03449	2.1
106.04226	0.7
120.89870	0.6
121.02953	2.7
122.03725	1.7
134.03745	5.5
137.06081	2.1
145.06604	0.7
149.02490	4.1
150.03230	9.0
151.03958	1.0
152.04774	1.6
161.06052	2.5
161.09715	3.0
165.05573	9.2
171.08144	3.8
173.06117	2.8
174.06851	0.7
176.04657	0.6
179.03519	1.1
180.04213	0.9
189.07616	1.1
189.09218	14.9
190.09581	1.0
194.05914	0.8
195.06607	5.2
205.08676	1.3
207.10258	100.0
208.10576	5.0
209.08179	1.5
225.09206	2.1
243.10234	5.5
249.79103	0.6
297.65945	0.7
319.21149	1.2
323.15048	0.7
342.10941	0.7
357.13388	2.7
361.22549	0.8
369.10815	1.4
369.15540	28.4
370.15942	2.3
388.21164	0.8
402.47333	0.7
405.11316	2.0
405.21255	2.3
406.22141	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	405.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76977	8.0
59.01374	86.5
69.64716	32.7
71.01366	34.1
75.00845	17.9
78.94955	9.0
85.02917	11.2
89.02439	31.9
95.58279	11.8
95.69752	8.1
98.21917	11.7
101.02437	15.7
106.04243	18.4
113.02438	29.7
119.03506	12.9
119.70652	9.1
127.03992	11.7
135.44308	7.9
161.04553	11.8
161.09711	34.3
169.13181	9.3
204.18753	10.0
205.08707	100.0
206.09056	12.7
277.32669	8.9
291.14407	13.1
405.16693	58.5
405.24963	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	405.1706
Annotation	Prenylterphenyllin B
Peak:m/z	Relative Intensity
61.98827	11.5
69.98061	1.4
107.05041	1.0
108.02158	4.1
109.02948	6.8
121.02907	1.3
122.03745	5.6
123.04497	1.7
124.01669	1.1
131.04959	0.7
133.02975	0.9
135.04541	3.4
136.05292	3.6
137.02473	1.0
145.02962	1.3
147.04573	0.8
148.05304	11.0
149.02429	9.2
149.05988	1.4
149.61270	0.6
150.03214	18.0
151.03787	0.7
159.04456	2.9
160.05318	2.9
161.06064	0.6
162.03236	9.8
163.03996	3.1
164.04744	0.9
164.49168	0.6
165.05537	2.5
177.05554	13.1
178.05911	0.7
185.05989	0.9
197.06000	0.7
210.06920	1.1
211.07625	3.6
223.07539	1.1
224.08398	1.3
225.05507	0.9
225.09247	5.7
226.06189	0.7
226.09859	1.0
227.07100	1.9
227.10757	19.4
228.11044	1.5
237.09209	18.7
238.09549	1.4
239.10748	25.8
240.11168	1.7
241.08685	1.2
251.07059	0.9
251.07767	0.9
251.10777	14.8
252.07832	0.8
252.11110	1.2
253.08826	0.9
254.05827	5.9
255.06610	7.5
256.07144	1.0
256.11313	0.7
267.06616	2.0
268.07388	3.3
269.08182	14.4
270.08646	1.5
280.07440	1.4
281.08115	2.1
316.14792	0.7
329.11920	1.0
345.11404	3.9
346.11572	1.2
359.12787	4.5
360.13641	34.9
361.14362	18.1
362.14792	2.0
371.12738	4.0
372.13635	5.4
374.86078	0.6
375.15985	42.1
376.16403	4.6
387.15979	2.7
389.14105	1.6
390.14667	13.4
391.15033	1.6
405.17053	100.0
406.17444	13.5
429.82703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1706
Annotation	Prenylterphenyllin B
Peak:m/z	Relative Intensity
61.98820	4.4
80.96540	3.4
95.16277	1.1
100.43948	1.2
108.02176	3.5
109.02930	8.0
121.02958	1.9
122.03740	4.5
135.04434	1.5
136.05296	3.7
138.46416	1.0
148.05283	9.3
149.02466	8.5
149.06116	1.9
150.03242	18.3
159.04543	2.5
160.05299	2.5
162.03224	5.8
163.04001	4.2
165.05608	2.6
177.05547	11.3
192.34172	1.2
211.07693	2.4
223.07632	1.1
225.09251	2.6
227.10805	15.2
237.09218	12.1
238.09628	1.9
239.10768	23.5
240.11151	1.2
241.08575	1.2
241.68239	1.1
249.25941	1.0
251.06923	1.3
251.10796	12.0
253.05174	1.3
254.05766	5.2
255.06618	5.7
267.10266	1.2
268.07312	3.1
269.08151	12.1
280.07440	2.0
281.07974	1.5
316.14246	1.5
323.16885	1.6
345.11359	2.7
359.12909	3.4
360.13663	29.8
361.14255	12.2
371.12708	2.2
372.13562	6.1
375.16031	39.3
375.29041	1.4
376.16254	3.7
387.16086	2.2
390.14645	12.7
391.15222	1.7
405.17068	100.0
406.17398	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	405.1704
Annotation	3',5'-Diprenylgenistein
Peak:m/z	Relative Intensity
59.01375	3.0
59.36934	1.5
61.98826	21.7
67.52954	1.3
69.90311	5.0
83.21214	1.6
91.04989	1.3
91.05553	2.8
93.03429	1.4
97.71178	1.5
98.22617	1.5
107.05052	10.5
108.02171	11.6
109.02943	5.0
121.02968	1.5
122.03757	3.3
123.04509	12.5
134.03755	4.5
135.04526	24.8
147.28169	1.5
148.05307	3.5
149.02437	2.5
149.06094	4.8
150.03214	4.4
152.24258	1.5
158.29433	1.4
162.03197	3.0
170.84932	1.4
175.03935	1.5
176.04765	2.6
177.05611	2.3
201.05641	2.2
211.07652	2.0
215.07085	3.4
223.07614	1.9
225.09258	10.3
226.09981	28.0
227.07243	2.8
227.10667	5.3
237.09183	3.9
237.12961	1.7
239.10857	9.6
241.08681	2.1
242.09167	1.9
251.10718	2.7
253.08801	2.2
255.06700	2.1
255.10268	4.1
267.10291	7.8
269.08124	3.1
281.08490	3.1
281.11859	10.1
284.75046	1.5
289.11649	1.9
316.14526	2.9
333.07452	2.3
345.11194	2.1
357.11185	3.0
360.13614	9.8
361.14291	2.7
361.18124	11.2
372.13571	3.2
375.16016	44.1
376.16461	5.4
387.16003	11.2
390.14667	3.8
405.17096	100.0
406.17462	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	1.1
56.49254	0.5
57.03463	1.3
58.00596	0.8
59.01089	1.6
59.01380	53.0
60.01768	0.7
71.01383	23.0
72.99345	0.6
73.02945	6.7
83.01421	1.0
85.02956	5.2
87.00913	1.1
89.01628	1.0
89.02444	24.7
93.69485	0.5
95.01437	2.3
95.05114	0.9
98.21877	2.1
99.04540	1.4
101.02445	11.5
113.02459	9.8
113.03136	0.7
119.03493	9.5
127.04065	1.0
131.03583	1.0
143.03545	1.7
147.99155	0.6
149.04572	0.7
155.27345	0.6
160.52350	0.5
161.04596	3.2
163.11296	3.6
165.12859	1.2
176.44513	0.5
179.05586	4.1
181.12347	24.7
182.12689	1.5
207.10352	1.0
217.16747	0.7
225.11317	100.0
226.11650	5.2
243.12340	1.5
243.16101	1.2
291.14432	0.8
363.23621	2.6
373.09430	1.0
405.17371	45.1
406.17850	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
55.71794	1.2
57.03453	2.8
59.01378	100.0
62.49481	1.2
69.03443	9.8
71.01376	45.4
71.05016	1.8
72.84835	1.3
73.02940	10.5
77.94807	1.2
83.01389	5.4
84.02200	1.4
85.02949	17.4
87.00885	2.7
89.02441	36.8
95.01362	1.8
95.05001	1.3
99.00877	4.1
101.02442	31.9
111.00929	1.8
112.01665	10.3
113.02457	75.2
114.02821	1.5
118.19810	1.5
119.03492	14.3
127.04021	13.6
128.04352	3.6
131.03531	3.2
137.06044	2.4
138.05530	2.0
139.11293	15.3
143.03467	3.9
144.00647	1.5
159.03085	1.7
161.04558	26.7
165.01976	2.1
165.09218	1.5
179.05571	7.2
180.04292	2.6
181.12332	13.8
183.10233	18.6
192.10219	1.3
195.06668	1.9
199.13379	7.5
207.13751	2.2
225.11238	9.5
225.14937	2.0
243.12355	83.7
243.16129	5.2
244.12701	6.4
277.16165	1.6
285.13385	19.1
291.14514	46.3
295.32199	1.5
311.10736	1.7
315.14413	2.8
325.11945	2.3
334.70212	1.4
336.07144	1.4
345.15579	19.5
361.22675	1.5
387.20074	3.8
402.19199	1.4
405.17307	12.6
405.21695	18.2
405.25320	2.6
406.17767	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	405.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	3.7
59.01378	78.3
62.21327	2.8
69.22759	15.8
71.01382	24.2
73.02927	11.1
75.00865	6.3
77.47685	2.8
80.46233	2.5
85.02951	7.6
85.64265	3.2
89.02420	5.6
92.31200	2.8
93.03461	12.2
95.89411	2.7
99.00881	3.6
99.08145	6.9
100.61930	2.6
101.02430	13.9
111.04494	3.0
113.02454	18.5
115.04002	2.9
125.09674	7.4
129.09212	5.9
135.04451	3.1
135.17973	3.0
137.06093	3.0
139.03981	5.6
141.09209	5.3
154.99062	3.4
159.03009	4.5
159.10242	5.6
161.04527	22.3
191.05608	3.1
207.55548	2.5
243.10216	4.8
249.06134	7.6
253.18071	5.8
255.08780	3.9
255.19649	7.6
257.21262	6.2
273.20682	4.1
301.20135	22.0
319.21243	100.0
320.21539	10.7
361.22287	57.5
362.22662	7.7
387.05280	3.0
405.05804	4.6
405.16705	3.5
405.21207	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01863	2.0
57.03433	1.6
59.01377	63.9
60.01704	0.7
61.70395	0.6
61.70734	0.7
61.98813	2.4
63.06496	0.5
69.16588	1.4
69.17000	2.7
71.01377	24.1
73.02936	5.4
83.01380	3.6
85.02946	9.3
85.06571	3.3
87.00859	1.4
89.02447	13.7
95.01378	2.2
97.06571	1.0
98.22702	1.2
99.00883	4.4
101.02434	15.7
113.01713	0.8
113.02448	9.9
115.03963	0.7
118.47747	0.5
119.03486	5.1
125.02483	0.9
138.00861	0.6
141.09178	0.7
142.54930	0.6
143.03487	1.5
155.14397	5.9
156.73781	0.6
161.04568	1.8
179.05598	0.6
181.12395	0.8
181.16008	3.2
183.13882	0.6
199.13394	14.5
201.05521	0.8
201.14944	2.4
215.28134	0.6
225.14935	5.9
226.15128	0.6
239.53412	0.6
301.90698	0.6
331.17752	0.6
331.23380	0.5
345.19269	4.4
363.20230	6.7
387.20135	2.2
405.21265	100.0
406.22034	7.8
417.38443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
57.03445	1.2
59.01377	44.1
61.04160	0.5
61.98838	1.1
65.09070	0.5
69.15060	3.2
71.01376	22.2
72.99313	0.6
73.02943	4.4
83.01372	2.4
85.02946	7.5
85.06577	2.3
87.00867	1.7
89.02438	12.3
95.01382	2.2
95.27972	0.5
99.00879	3.0
101.02431	14.0
113.02446	7.2
119.03503	5.4
135.04390	0.6
143.03488	1.2
155.10863	0.6
155.14418	6.3
161.04572	1.3
179.05693	1.0
181.15935	3.0
183.13730	0.6
199.07678	1.4
199.13383	13.9
221.40561	0.6
225.14944	4.0
259.25977	0.6
273.55975	0.5
278.08719	0.6
308.08102	1.1
380.54980	0.6
387.19949	1.0
405.21265	100.0
406.21606	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01867	1.3
57.03462	0.7
58.00576	0.5
59.01379	63.8
60.01715	0.6
67.07799	0.4
71.01379	44.1
72.01724	0.8
72.99316	0.9
73.02936	1.9
81.89851	0.3
83.01381	2.1
85.02947	6.5
85.16277	0.3
87.00883	1.2
88.59589	0.4
89.02442	26.3
90.02737	0.4
95.00861	0.3
95.01392	1.7
99.00902	0.6
101.02437	17.1
102.02793	0.6
104.69553	0.3
113.02446	9.9
119.03496	10.6
122.03799	0.4
127.11264	1.7
131.03517	0.8
139.11308	1.2
143.03511	1.3
149.04514	0.8
153.12871	3.1
155.14432	0.4
161.04561	1.0
177.38432	0.4
179.05574	2.2
181.12318	1.0
183.13905	0.4
199.13394	5.2
201.14931	2.2
207.13986	0.7
225.14961	1.5
243.16092	1.0
285.12421	0.5
293.28510	0.4
308.07877	0.5
345.19214	1.6
363.20081	2.7
364.20670	0.4
387.20279	1.7
405.21271	100.0
406.21643	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03426	1.2
58.00586	0.7
59.01379	75.3
60.01701	0.7
61.98822	0.6
68.61973	0.6
69.29129	2.7
70.63185	0.5
71.01380	42.0
72.01722	0.7
72.99286	1.1
73.02937	1.4
83.01387	1.6
85.02942	6.4
87.00865	1.3
89.02441	30.9
93.03451	1.4
93.49917	0.5
95.01385	2.4
97.06610	0.7
98.22639	1.1
101.02437	19.2
102.58480	0.7
113.02444	11.7
119.03503	14.0
127.04025	0.6
127.11267	1.5
131.03510	1.3
137.02441	0.8
139.11276	1.0
143.03401	1.1
149.04510	0.8
153.12878	7.5
161.04514	1.8
173.04535	0.8
179.05620	2.4
181.12305	0.8
187.89261	0.6
199.07666	1.0
199.13383	4.8
221.47803	0.6
225.14934	4.0
243.06506	0.8
243.12433	0.6
319.21054	0.7
330.10040	0.8
345.12488	0.7
387.20181	1.3
405.21262	100.0
406.21625	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	405.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03443	7.7
58.00583	1.6
59.01376	100.0
60.01718	1.0
61.98825	5.9
62.64628	0.3
69.03435	0.8
69.86484	1.2
71.01379	56.2
71.05018	2.5
72.01720	1.0
72.99297	1.5
73.02941	5.5
75.00880	0.6
81.03477	0.4
83.01386	3.1
83.05018	2.4
85.02945	11.6
87.00874	3.7
87.04510	1.5
89.02439	61.8
90.02793	0.9
93.73952	0.4
95.01379	3.8
95.05031	1.2
97.02946	1.1
97.06584	1.1
99.00883	1.3
99.04524	2.5
101.02438	29.6
102.02803	0.6
111.08155	2.0
112.05331	0.8
113.02446	20.8
114.02770	0.8
115.03989	0.5
119.03495	27.4
123.08121	0.9
125.02466	0.5
125.06051	1.8
125.09739	0.6
129.01933	0.4
131.03481	3.0
134.07376	1.5
137.09663	1.7
139.03009	0.7
139.04012	7.5
139.07640	0.6
140.04453	0.3
143.03497	5.1
149.04524	2.2
149.09715	17.0
150.10014	1.0
151.07587	0.5
151.11298	0.7
153.09183	0.9
159.02950	0.9
161.04556	8.2
163.11293	0.7
167.10765	29.4
168.11110	1.5
171.10234	1.0
175.02419	1.2
179.05602	13.0
180.05981	0.4
181.12291	2.1
183.10258	1.5
189.12830	1.0
207.13899	10.4
208.14334	0.6
209.11804	0.5
225.14969	11.1
226.15233	0.6
243.15970	9.3
244.16388	0.5
288.16202	0.4
362.19656	0.4
387.20242	9.8
388.20575	0.9
405.21289	39.2
406.21756	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	405.2124
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
52.31158	0.1
55.01311	0.2
55.01879	1.2
57.03445	12.7
58.00591	1.6
59.01377	100.0
60.01708	0.8
68.99802	0.4
69.03458	0.7
69.50627	0.5
69.51018	0.4
71.01378	57.2
71.05020	0.3
72.01721	1.0
72.99303	1.4
73.02940	4.1
75.00862	0.3
76.48373	0.2
81.03463	0.6
83.01386	2.1
83.05039	1.3
84.02155	0.3
85.02946	12.4
87.00860	2.3
87.04513	1.1
89.02441	63.4
90.02779	0.8
95.01384	3.9
95.05045	0.6
96.01697	0.2
97.02956	0.5
97.06567	0.5
99.00890	0.8
99.04533	0.2
101.02438	28.7
102.02802	0.6
107.03460	0.3
107.04974	0.2
109.06599	0.8
111.04533	0.5
112.05286	2.1
113.02445	22.7
113.06123	0.5
114.02774	0.6
115.03983	0.4
115.60312	0.2
119.03498	23.4
120.03863	0.4
120.05789	1.2
123.08215	0.2
125.02431	0.6
125.06129	0.6
131.03508	2.8
131.08681	0.4
134.07378	4.3
135.08170	3.6
137.09729	2.6
138.06892	0.3
139.04018	4.1
139.07637	5.4
139.11290	0.6
140.07841	0.2
143.03494	4.6
147.08170	0.2
149.04546	2.0
149.09714	39.1
150.10062	1.8
152.08369	0.3
153.09209	23.2
154.09554	0.8
159.03015	1.0
161.04546	9.6
162.04893	0.2
167.10770	64.0
168.11134	3.3
171.10255	0.9
177.01891	0.6
179.05609	9.6
180.06026	0.3
191.05707	0.2
192.04309	0.4
207.13870	1.9
209.11824	2.4
225.07697	0.2
225.14961	4.8
226.15321	0.3
233.10249	0.5
243.15993	13.3
244.16339	0.7
291.14407	0.2
314.67493	0.2
370.18683	0.2
405.21326	5.8
406.21671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17593	20.6
61.53376	20.1
61.98819	91.3
69.14414	100.0
69.14822	39.0
69.98237	17.9
70.10160	21.6
87.00877	31.9
91.50896	21.6
96.95959	26.2
104.90980	20.3
116.92855	25.4
119.36134	25.5
134.43396	21.1
239.40445	22.1
369.84586	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	35.5
61.98821	63.4
65.40629	27.1
69.43633	100.0
69.44002	46.5
82.45309	21.5
82.77861	21.2
85.48314	24.5
94.57144	22.6
98.22704	40.5
332.85962	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.0
61.98820	94.0
62.60500	24.4
64.77717	36.2
69.77472	100.0
73.79503	27.0
91.69930	31.3
115.71088	30.0
127.65408	29.9
131.43230	31.0
136.97559	28.5
144.42389	30.8
159.57770	33.2
180.27812	29.1
181.63501	27.6
200.67401	33.3
274.81631	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2645
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
61.98801	0.7
68.99802	1.6
71.18777	0.6
72.99242	0.5
74.02340	0.5
78.36258	0.5
81.46954	0.5
84.45464	0.6
84.80118	0.6
86.53803	0.6
92.02682	8.7
93.03456	19.7
95.01374	3.3
107.83261	0.5
108.02180	2.8
120.02160	3.6
120.61682	0.5
121.02951	7.5
123.00884	1.3
136.01657	6.2
137.02434	4.3
154.33948	0.4
165.01909	8.3
243.78996	0.5
377.26941	11.6
378.27051	1.2
405.26431	100.0
406.26764	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	406.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01371	0.4
66.03484	0.6
67.05526	0.4
69.03124	0.3
69.03432	2.3
69.56698	1.3
71.05009	1.7
73.02951	3.0
78.72026	0.3
80.04559	0.3
80.05025	0.4
83.05019	0.9
84.04542	2.9
85.02932	0.6
85.06596	1.0
86.06108	4.0
87.04523	2.2
97.02953	8.9
98.03749	3.4
99.04523	0.8
107.08647	0.7
109.02946	0.5
110.06106	1.2
111.04514	2.7
112.04049	3.4
115.03992	2.8
121.10255	0.5
122.06061	0.5
122.09762	0.9
128.03546	0.7
133.10240	1.3
139.07608	1.0
143.04591	1.0
147.11798	6.6
148.07646	0.5
148.12128	0.4
150.09250	0.3
151.07590	1.1
152.10728	0.5
159.11769	1.3
161.13309	1.0
166.08737	0.9
184.09697	0.4
186.12941	0.4
198.11287	1.0
212.00905	0.4
213.16476	1.6
256.17026	0.8
272.08875	0.5
274.18170	0.5
300.23141	0.4
326.21283	1.4
344.22260	7.4
345.22449	0.5
362.23331	0.4
370.20096	0.6
388.21231	8.4
389.21826	1.0
404.20779	1.6
406.22333	100.0
407.22681	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	406.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
57.03434	1.9
59.01381	38.9
65.87917	1.3
68.40569	1.4
69.59883	2.9
69.60263	2.5
71.01382	9.3
71.05022	1.6
73.02946	5.6
74.02487	1.5
76.72062	1.3
83.05057	1.7
84.04541	1.9
84.55296	1.2
85.02956	14.6
86.06113	1.5
87.04522	5.5
89.02457	5.8
93.62879	1.2
97.02970	3.9
99.04510	2.4
101.02441	5.2
104.03577	3.4
108.04560	1.5
109.03935	1.2
111.04530	1.8
113.02440	10.5
115.04031	1.7
119.03526	2.6
119.05062	1.4
122.09779	2.8
123.04565	1.5
125.06092	1.5
126.57346	1.3
128.03525	3.9
137.06075	2.9
138.03241	4.1
138.09293	1.5
139.00409	1.8
139.04005	1.7
140.01143	3.5
143.04668	4.2
147.11867	2.8
152.04842	1.9
161.04610	1.6
164.07198	4.1
166.90379	1.5
167.64291	1.5
178.15974	2.3
190.05420	1.7
200.98735	1.5
220.13519	2.1
232.16974	10.7
244.16859	1.7
250.18117	19.8
254.07863	2.0
262.18259	1.8
272.08841	2.5
276.15927	2.4
288.16165	2.7
294.17108	74.0
295.17331	6.0
300.19879	1.5
306.17160	2.9
306.20593	2.0
316.19220	2.2
344.18646	3.4
344.22302	2.9
360.18182	4.9
362.19498	2.4
362.23438	3.1
367.39078	1.4
388.17615	100.0
389.17905	10.2
406.18573	71.4
406.22614	21.8
407.18881	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	406.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01377	2.5
61.98824	1.4
65.01102	0.3
65.03956	1.3
65.90240	0.3
66.03477	0.5
69.03465	2.0
69.72858	0.7
69.73232	0.8
71.01395	0.8
71.05009	1.6
73.02948	4.1
73.88945	0.3
83.05022	1.0
84.04569	0.5
85.02965	0.5
85.06584	0.7
85.34180	0.3
86.06100	0.8
86.72892	0.3
87.00912	0.3
87.04539	1.7
89.02422	0.8
91.05476	0.3
95.05025	0.8
96.04553	0.9
97.02938	2.6
98.03736	1.2
98.43780	0.3
109.02965	0.8
110.06098	1.2
111.04515	1.8
112.04037	1.3
113.02464	0.6
115.04007	2.6
120.08171	0.6
121.06588	0.6
121.10236	1.9
122.02458	0.4
122.03706	0.4
122.09736	1.0
122.10567	0.3
124.07681	0.4
127.05164	0.5
128.03575	0.5
130.08714	0.8
133.10318	0.6
135.08159	0.4
136.05275	0.5
136.07727	0.3
137.06085	4.9
138.05589	0.4
139.07658	2.1
147.11816	1.6
148.07695	0.8
150.09250	0.4
161.04523	0.5
161.13399	0.4
164.07211	0.6
165.09238	0.5
166.08781	1.6
173.13356	0.4
177.12843	1.1
184.09749	1.8
209.41264	0.4
220.13280	0.3
227.18102	0.4
268.15637	0.4
288.19635	0.8
290.17728	0.9
293.12497	1.3
300.23218	0.4
302.17499	0.4
326.21426	0.7
332.18558	1.3
344.18536	0.4
344.22296	4.3
345.22665	0.4
362.23340	1.4
370.19809	0.4
388.21405	8.8
389.21945	0.7
406.22342	100.0
407.22699	10.3
407.27805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2233
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
59.01378	0.6
67.32951	0.5
67.55793	0.5
69.03455	2.6
69.48543	1.4
69.48930	0.9
71.05009	1.0
73.02953	2.9
83.04999	0.9
84.04525	3.0
85.06594	0.9
86.06106	3.3
87.04513	1.3
97.02952	7.1
98.03739	3.1
99.04526	0.6
107.08663	0.7
109.06557	0.6
109.74153	0.5
110.06080	1.0
111.04532	2.7
112.04038	2.8
114.23406	0.5
115.03992	2.3
124.07642	0.6
133.10213	1.8
139.07735	1.1
147.11818	4.9
148.12148	0.8
151.07631	1.0
159.11795	1.3
161.13326	1.3
166.08751	1.0
184.09703	1.0
198.11356	0.8
213.16502	1.1
227.63538	0.5
290.83374	0.5
294.17087	1.4
321.71240	0.6
326.21341	1.5
344.22290	5.4
345.22601	0.8
354.75793	0.6
362.23633	0.6
379.20184	0.5
388.17334	1.1
388.21411	8.7
389.21823	0.7
404.21021	0.6
406.22363	100.0
407.22693	10.1
415.62167	0.5
432.58765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26162	0.8
62.81205	0.7
69.03457	2.9
71.05026	1.6
73.02945	3.2
73.41770	0.7
84.04533	2.5
86.06104	4.7
87.04530	1.8
97.02948	7.6
98.03741	4.0
98.21906	2.4
111.04516	2.6
112.04069	2.5
115.03984	2.4
122.09776	1.1
133.10310	1.2
142.42378	0.8
147.11766	5.7
152.10789	0.9
159.11760	1.7
161.13437	1.4
166.08745	1.0
213.16455	1.2
246.18658	0.8
269.42197	0.8
324.51285	0.8
326.21158	1.4
344.22244	6.2
345.22641	1.1
388.21304	6.9
388.73306	0.9
406.22357	100.0
407.22729	9.2
417.63312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2233
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
57.03441	1.0
65.03951	1.6
69.03478	1.1
71.05016	1.7
72.70641	0.5
73.02946	5.0
76.21217	0.6
79.27312	0.6
83.05047	1.2
87.04507	1.0
91.71418	0.6
93.03526	0.6
93.07112	0.7
95.06952	0.5
96.04588	0.6
97.02937	1.7
109.06596	0.8
110.06116	1.6
111.04500	1.5
111.08122	0.7
115.04021	2.8
121.06557	0.7
121.10229	1.3
122.03703	0.8
137.06090	5.7
138.06390	0.7
139.07671	1.6
147.11868	0.8
150.09216	0.6
152.04816	0.8
157.13345	0.6
166.08685	1.2
184.09830	2.2
187.23009	0.6
270.18436	0.6
288.19727	1.4
290.17728	1.3
302.17508	0.8
332.18622	1.5
344.22302	4.5
362.23273	2.6
388.21213	8.0
389.21460	0.8
406.22311	100.0
407.22708	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	406.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
65.03638	0.6
69.03462	3.1
69.15270	3.8
69.98009	0.7
71.05013	1.7
71.06619	0.5
73.02950	2.9
83.05018	0.9
84.04585	3.3
85.06561	1.2
86.06110	4.6
87.04510	2.3
97.02961	9.8
98.03745	4.4
98.21849	1.4
105.31183	0.6
107.08701	0.7
110.06123	1.7
111.04482	3.1
112.04034	1.5
115.03998	2.8
121.10289	0.9
122.09747	1.0
124.07671	0.8
133.10222	1.7
136.07683	0.9
137.06100	0.9
137.10541	0.7
139.07680	1.4
147.11787	5.9
151.07668	1.3
152.10834	0.8
159.11774	1.0
161.13319	1.2
166.08696	1.0
204.13914	0.8
213.16454	0.9
249.11407	0.6
326.21475	1.1
344.22330	7.4
359.46683	0.6
370.20068	0.9
388.21277	11.1
389.21512	1.3
404.20706	1.0
406.22333	100.0
407.22614	12.8
420.17993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.296
Annotation	Asmarine J
Peak:m/z	Relative Intensity
58.00584	1.3
59.01382	11.3
61.98813	1.0
65.44604	0.4
70.85867	0.8
71.01382	46.1
72.99312	1.4
73.02940	0.7
80.48363	0.4
84.00908	1.8
84.02197	0.4
97.89089	0.4
102.03481	2.3
119.05042	0.4
120.04555	53.4
121.02962	4.5
121.04885	1.2
134.06128	12.5
135.04518	0.5
141.04251	0.5
144.04633	0.5
146.02512	0.5
146.06129	0.7
154.22379	0.4
162.05612	40.5
163.05952	1.6
163.10361	0.4
164.07158	2.1
187.06299	0.6
192.06660	1.6
211.20657	3.2
225.22221	1.4
237.22061	0.5
241.21759	2.9
247.26283	0.5
249.22298	0.9
253.21774	0.9
255.23325	0.5
265.21756	1.9
342.28018	0.5
352.26202	0.6
359.93484	0.4
370.27625	3.0
371.27695	0.6
386.27203	0.4
388.28519	6.1
389.28854	0.7
406.29605	100.0
407.29932	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39517	0.3
57.03448	1.0
59.01378	4.2
61.98828	100.0
71.01390	0.8
79.44917	0.3
85.07334	0.3
93.03435	0.4
96.95988	0.5
99.04538	0.9
101.02451	0.9
113.02464	1.5
125.02487	0.6
135.04564	0.6
142.21706	0.3
159.04448	0.4
163.06393	0.3
187.04207	0.4
191.03461	0.4
191.05513	0.4
194.04555	0.4
197.21111	0.3
205.05037	0.4
208.06171	0.4
271.39282	0.3
280.11716	0.4
341.26724	0.3
344.11462	2.6
351.46091	0.4
407.18777	4.1
434.06674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1498
Annotation	Garciniaxanthone F
Peak:m/z	Relative Intensity
59.01375	1.5
60.02121	1.4
61.98821	2.6
69.33399	1.2
70.05061	1.3
99.49632	1.5
106.04251	1.7
108.02162	2.1
109.02917	1.8
121.02949	7.0
123.04512	6.8
126.98909	1.4
135.04541	4.7
137.02420	1.8
147.06151	1.4
163.04013	4.3
195.60094	1.4
208.73923	1.5
213.05505	6.2
225.05548	9.4
226.06311	6.6
227.07158	13.2
228.07709	2.2
241.05045	1.8
243.06572	10.6
251.07132	1.5
253.05016	9.7
254.05811	25.8
254.08229	2.3
255.06502	10.5
258.08975	4.5
270.05267	3.3
271.06049	5.7
283.09918	1.9
285.07687	2.5
286.08139	1.5
288.51950	1.5
375.12305	39.3
376.12628	5.5
379.15308	9.6
407.14960	100.0
408.15237	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	407.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66781	9.0
55.83173	8.2
59.01374	72.2
61.98824	25.3
63.95676	8.7
65.95020	8.9
69.50323	37.2
89.02434	17.5
89.26257	8.5
101.02483	15.2
113.02426	17.7
130.08691	15.7
131.07140	25.5
135.59074	9.2
164.07164	10.2
165.06451	8.6
191.05617	37.8
243.02840	10.7
243.49608	10.8
280.87695	9.3
293.12350	100.0
407.18231	21.2
407.22607	47.6
408.19925	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	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03448	1.6
58.99604	0.5
59.01376	100.0
60.01715	1.3
61.98844	0.5
69.03454	0.5
70.60854	0.7
71.01376	21.9
71.05016	0.6
72.01730	0.7
73.02946	6.2
73.58316	0.4
74.02450	0.5
74.97141	0.4
75.00881	1.0
83.01397	2.1
84.04544	0.6
84.95096	1.1
85.02941	6.8
86.06158	0.5
87.00885	1.7
87.04526	1.0
89.02441	16.8
93.03476	1.2
95.01398	1.1
95.05024	1.0
97.02942	0.7
99.00886	1.1
101.02437	14.0
107.05067	1.3
109.06586	5.7
111.00918	0.5
111.04505	0.6
112.04083	0.6
113.02446	12.0
113.06074	0.7
114.02792	0.7
115.04000	1.0
118.06628	0.9
119.03491	7.8
121.02943	0.9
123.04502	0.8
127.04048	0.6
127.07623	0.5
128.03580	0.6
131.03532	3.3
134.03737	1.3
136.01688	3.0
139.04056	1.0
139.07576	0.6
143.03519	2.2
143.04655	1.5
143.07137	1.4
149.02560	0.8
149.04529	0.5
149.06096	1.3
150.03255	2.1
151.03993	6.3
157.08696	1.8
159.03008	1.1
161.04547	11.1
164.07211	0.6
165.05603	1.8
167.10794	1.6
173.04581	0.9
179.05621	5.2
185.02206	0.8
185.11876	0.7
191.05659	1.4
192.52440	0.4
195.06535	1.1
215.11954	0.5
233.06689	1.0
254.07748	0.6
267.07288	0.9
271.11923	1.3
272.08734	0.7
273.09375	0.7
293.09143	2.4
293.12094	0.9
299.09277	1.0
309.07599	0.5
347.17105	11.3
348.17560	1.0
359.11697	0.7
389.17892	0.6
390.22940	2.6
407.09146	0.9
407.15311	3.7
407.19516	1.7
407.23090	1.7
408.23962	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
59.01376	61.3
60.01707	0.7
61.98805	2.2
68.09662	0.7
69.56592	1.3
69.56938	1.5
71.01378	25.6
71.04977	0.6
72.99290	1.3
73.02912	2.1
82.95390	0.6
83.01360	1.2
85.02943	5.4
89.02437	20.2
90.02776	0.8
95.01360	2.3
97.02924	1.1
98.22556	1.4
99.00904	0.8
101.01801	0.8
101.02440	14.4
104.58508	0.7
111.08123	2.2
113.02448	11.6
113.91315	0.6
114.05606	0.6
115.03982	0.8
119.03497	8.0
120.01193	0.7
129.56792	0.6
131.03497	0.7
131.07104	1.6
156.74142	0.6
161.04565	0.7
165.12851	9.6
171.10252	5.0
179.05539	1.1
183.13887	15.0
191.05583	2.3
201.14879	0.6
207.10147	0.9
209.10437	0.5
209.11847	6.0
227.12875	35.6
228.13139	1.9
241.01396	0.7
242.02164	1.5
243.03093	1.6
245.13940	5.1
253.09373	0.9
293.12408	4.8
305.16116	0.7
332.14120	0.7
345.22644	0.7
346.23938	0.7
389.21756	0.9
389.62204	0.7
390.22537	0.7
407.07559	2.1
407.19025	100.0
408.19284	8.8
408.23813	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.7
57.03445	1.5
59.01378	100.0
60.01693	0.8
61.98826	4.9
69.03448	1.8
70.91631	0.7
71.01379	29.3
72.99312	0.7
73.02946	6.7
75.00872	1.2
83.01395	2.3
85.02946	8.9
87.00876	3.1
87.04530	1.4
89.02440	23.8
90.20550	0.6
91.38509	0.7
93.03487	1.3
95.01407	1.9
97.02957	0.9
99.00884	2.1
99.92591	1.0
101.02442	21.6
102.55636	0.6
107.03469	0.6
113.02446	19.5
114.02808	1.2
115.00396	1.2
115.03988	0.9
116.92914	0.8
119.03503	9.8
119.05007	5.3
121.03027	0.7
131.03526	2.8
143.03514	3.9
149.04594	1.1
151.04112	0.8
159.03047	1.6
161.04544	18.7
161.05849	1.0
163.04077	2.4
175.02522	2.7
179.05643	8.1
180.06703	1.7
183.09302	2.3
185.02194	11.6
185.11859	1.6
186.02698	0.8
186.77426	0.6
191.05560	3.1
227.08224	3.4
233.06543	0.8
245.08026	0.8
276.36887	0.7
283.01208	0.7
283.83652	0.7
289.13101	1.4
293.08966	2.9
293.12515	13.8
323.18744	0.7
347.07584	1.4
347.12918	1.4
347.17099	21.1
347.21228	1.4
361.15070	1.2
407.00751	1.1
407.09393	1.4
407.14581	1.2
407.19055	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	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10564	0.8
56.50837	0.8
57.03455	0.8
59.01380	100.0
60.01718	0.8
61.98827	3.0
64.94087	0.7
69.03455	2.2
71.01380	10.8
73.02944	3.3
81.03464	1.3
83.01391	1.5
83.40009	0.8
85.02951	3.7
87.00874	1.1
89.02449	6.0
93.03478	2.7
93.04736	0.9
95.01434	1.8
95.05021	4.5
97.02948	11.0
99.00885	1.6
99.92594	6.0
100.93375	2.5
101.02441	9.3
101.74580	0.7
111.04491	1.1
113.02450	6.2
115.92083	2.4
116.92854	5.3
119.03513	2.7
121.02950	6.2
123.04535	3.6
123.08146	1.1
133.02965	2.9
134.03761	2.6
137.02449	21.4
139.04016	42.5
143.03503	3.0
145.72838	0.9
161.04596	10.3
178.02657	1.4
179.05643	2.6
191.05598	1.0
198.50414	0.8
204.99631	2.2
206.73491	0.9
206.97568	1.3
212.97160	1.7
215.95290	1.4
216.95828	1.3
217.98203	1.2
224.36815	0.8
230.98251	1.0
234.97066	2.3
245.05673	1.0
245.08189	18.8
248.98567	3.4
261.95645	1.6
278.96170	5.3
280.40842	0.8
290.06094	1.0
347.13400	2.6
347.17160	21.1
348.17743	1.6
389.02594	0.9
407.00800	11.0
407.05972	1.4
407.19162	1.6
408.01035	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	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.33572	0.5
59.01372	0.5
69.16820	2.5
69.17229	1.1
78.95899	53.0
83.91521	0.7
96.96947	6.4
98.21861	1.3
100.61742	0.5
123.75694	0.5
134.44530	0.6
150.98024	1.9
152.99580	100.0
153.99974	1.2
171.00644	3.8
221.48105	0.7
239.20145	18.3
240.20494	0.9
253.21733	1.5
286.62720	0.6
346.45883	0.6
347.22098	0.6
407.22031	10.9
408.22214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2561
Annotation	CHEBI:78141
Peak:m/z	Relative Intensity
51.92722	1.2
61.98832	2.3
62.96384	1.1
63.54832	1.1
69.09367	7.5
70.15539	1.0
78.95903	100.0
80.06316	1.1
85.46260	1.0
92.11388	1.1
94.99001	2.0
104.97442	2.4
106.67045	1.0
110.98529	46.7
152.99640	1.5
167.01137	11.0
171.00768	1.5
208.87880	1.2
301.67697	1.1
303.32339	1.4
325.18317	2.3
407.25647	98.3
408.25983	11.7
412.90216	1.3
432.03098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46489	0.3
61.98829	100.0
66.27077	0.3
66.37068	0.3
69.54748	0.2
70.94489	0.3
70.94824	0.3
90.50574	0.3
101.19601	0.3
180.31837	0.3
407.24811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.28
Annotation	Hyocholate
Peak:m/z	Relative Intensity
58.94665	0.3
61.98818	0.4
68.99819	0.8
70.43587	0.3
70.43930	0.4
76.85783	0.4
78.95905	0.4
82.00616	0.4
89.92697	0.3
91.01909	0.6
92.02677	5.7
93.03457	9.3
94.03781	0.4
95.01393	2.2
96.96023	0.6
98.22581	0.3
106.04228	2.4
107.05038	1.6
108.02177	1.8
109.02950	1.0
119.01389	0.3
120.02174	2.1
121.02946	11.9
122.03775	3.6
123.00880	1.3
123.04520	1.9
125.02463	0.6
133.02927	0.3
136.01660	5.1
137.02446	3.8
149.02460	1.6
150.03229	1.2
151.04007	0.9
152.99536	0.4
153.01901	0.3
165.01921	4.5
166.02655	0.6
167.03490	5.4
171.00587	0.4
286.41263	0.3
341.83633	0.3
377.26947	8.8
378.27145	1.4
389.27011	4.9
400.34650	0.3
405.26419	22.3
406.26871	2.7
407.28006	100.0
408.28348	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	408.145
Annotation	5-O-Demethylpaxanthonin
Peak:m/z	Relative Intensity
50.37687	2.3
59.01363	4.4
61.98840	4.6
78.13092	2.2
91.96056	1.9
123.08575	2.1
150.44164	1.9
170.43750	2.1
207.24020	2.0
233.08533	2.2
239.34239	2.3
244.07591	3.7
246.09277	2.9
258.09198	34.1
259.09827	7.1
262.08618	2.2
264.10385	3.8
272.10779	11.4
273.11594	19.8
274.08835	2.3
275.09518	7.4
276.10330	6.1
286.12454	2.7
288.13931	100.0
289.14081	9.5
290.11832	15.1
290.14670	2.2
291.12100	2.2
303.09073	4.6
304.13443	14.2
305.14139	18.4
306.14728	2.5
320.16528	16.6
330.58401	2.1
361.92715	2.4
364.15533	97.8
365.15872	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	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82570	9.2
57.07803	10.1
59.01382	49.9
61.98822	43.8
70.15189	21.4
70.15542	14.7
71.01378	16.2
82.95406	38.7
83.01422	10.1
89.02428	16.1
91.83344	9.1
96.96011	10.0
125.02434	40.4
137.02432	16.2
141.00098	14.8
165.01917	10.7
171.37396	9.8
183.01183	19.6
191.05641	21.4
274.42783	11.2
293.30869	10.9
295.10278	31.4
321.04361	100.0
322.04807	16.8
324.18170	16.4
326.18738	14.9
358.18677	12.4
408.07828	31.7
408.23758	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.239
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
59.01377	9.9
61.98828	0.8
63.41502	0.6
65.16580	0.6
69.03448	0.6
69.98080	0.8
69.98389	1.0
71.01371	1.8
71.05008	3.1
73.02945	8.1
83.05013	0.9
84.04561	1.5
85.02964	1.3
86.06137	1.3
87.04512	1.8
89.02439	2.7
95.05040	3.3
97.02963	0.7
98.03712	5.7
98.21931	1.2
99.04546	1.0
100.59274	0.6
101.02402	0.9
101.06075	1.0
110.06087	1.2
110.42355	0.6
112.04044	1.6
113.02450	0.8
113.06027	0.8
115.04002	3.4
119.03487	1.1
121.06587	0.6
130.62871	0.8
135.08095	1.0
146.49333	0.6
147.67039	0.6
149.13402	0.8
160.13271	0.5
166.08728	0.8
179.05592	1.6
198.11473	1.3
250.14476	1.9
286.27341	0.6
304.19037	0.9
320.18600	1.7
328.22839	1.5
346.23868	3.0
362.23465	0.9
364.24759	3.9
372.21817	2.7
390.22849	15.3
391.23453	2.2
400.64435	0.7
406.22278	0.6
408.23889	100.0
409.24298	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2389
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
57.03440	1.1
69.03458	0.7
69.65488	1.1
69.65839	0.8
71.05020	2.6
71.34470	0.5
73.02942	2.6
83.05012	1.4
84.04527	0.5
85.06571	0.6
86.06106	0.5
87.04511	1.6
95.05027	1.2
97.02950	0.9
98.03732	13.6
99.04571	0.7
110.06095	0.5
112.04042	1.2
115.04005	1.2
121.06622	0.7
127.04015	4.0
152.10747	0.4
155.85405	0.4
160.60402	0.4
161.09828	0.5
161.13390	0.5
191.05632	0.4
194.16818	0.5
204.13995	0.5
218.19144	1.2
346.23831	2.2
362.23438	1.0
372.21756	1.1
375.20441	0.7
388.21127	1.0
390.22858	20.7
391.22916	2.2
406.22424	1.4
408.23877	100.0
409.24191	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	408.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01381	8.4
61.98817	1.4
69.03475	0.6
69.26417	2.4
71.01382	2.9
71.05019	3.9
73.02947	4.4
74.02474	0.8
79.59454	0.4
83.05036	1.5
84.04541	0.9
85.02950	1.0
85.06572	1.3
86.06136	0.8
87.00902	0.5
87.04504	2.3
87.05655	0.4
89.02425	2.0
93.03474	0.9
95.05040	2.5
97.02957	1.9
98.03735	13.1
98.22710	0.8
99.04557	1.1
100.00412	1.3
101.01846	0.5
101.02457	2.0
107.04960	0.6
111.04500	1.0
112.04076	0.9
113.02444	1.4
115.04018	2.3
124.07807	0.5
127.04021	4.0
127.04932	0.6
135.08134	0.5
136.83667	0.5
143.07103	1.1
153.04433	0.4
161.04485	0.8
179.03571	0.4
179.05579	0.6
191.05554	3.0
218.19141	1.3
230.15541	0.6
238.74480	0.5
250.14459	1.1
277.12799	0.8
295.10403	0.6
304.19180	0.4
328.19159	0.8
346.20197	1.1
346.23923	2.6
362.23456	1.4
372.21921	2.2
375.20584	0.9
388.21127	0.8
390.22937	18.1
391.23157	2.3
406.22247	1.1
408.23938	100.0
409.19977	0.6
409.24429	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	408.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01355	0.7
69.03426	1.0
69.46557	1.1
69.46947	1.1
71.01366	0.8
71.05009	3.0
73.02936	4.1
79.82813	0.4
83.05021	1.1
84.04572	0.8
85.02930	0.7
86.06107	0.7
87.04515	1.4
91.45982	0.5
93.69720	0.5
95.05009	2.5
97.02934	1.2
98.03734	12.2
99.04509	0.6
111.08182	0.6
112.04047	1.0
113.06088	0.7
115.03995	2.4
121.06582	0.8
121.10227	0.5
122.09761	0.5
124.07774	0.6
127.04002	2.5
135.08076	0.5
149.13295	0.8
175.11215	0.8
176.25081	0.6
191.05617	1.4
218.19138	1.1
242.55615	0.5
250.14507	1.3
328.22723	0.8
346.23758	2.4
362.23331	1.2
364.24927	0.8
372.21811	2.5
380.20514	0.7
388.21579	0.9
390.22818	16.8
391.23184	1.3
406.22339	1.0
408.23843	100.0
409.24164	9.5
422.83685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61686	0.5
57.03438	1.7
59.01361	2.2
59.13668	0.5
61.98809	2.5
71.05013	3.3
71.09178	0.7
73.02937	7.7
82.95415	2.4
83.05040	0.7
84.04539	1.7
85.02934	0.6
85.06567	1.0
86.06084	0.8
87.04520	0.8
89.02434	1.3
89.69677	0.5
95.05000	2.7
96.04585	0.7
98.03725	5.8
110.06117	1.1
111.04471	0.6
112.04034	1.3
115.04005	3.2
121.06605	0.8
122.09795	0.9
123.08086	0.5
125.02428	0.6
127.03945	1.2
128.07164	0.5
135.08183	0.9
139.07658	0.5
166.08766	1.1
191.05609	1.0
198.11351	1.0
232.13464	0.6
250.14424	1.1
256.03320	1.3
276.19662	0.6
278.21112	0.9
284.23761	0.6
295.10330	0.9
328.22903	1.5
346.23889	3.0
362.23401	1.2
364.24973	3.6
372.21786	2.2
390.22830	14.1
391.23279	1.5
393.34396	0.6
406.22296	0.6
408.08832	2.6
408.23877	100.0
409.19724	0.8
409.24353	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	408.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61686	0.5
57.03438	1.7
59.01361	2.2
59.13668	0.5
61.98809	2.5
71.05013	3.3
71.09178	0.7
73.02937	7.7
82.95415	2.4
83.05040	0.7
84.04539	1.7
85.02934	0.6
85.06567	1.0
86.06084	0.8
87.04520	0.8
89.02434	1.3
89.69677	0.5
95.05000	2.7
96.04585	0.7
98.03725	5.8
110.06117	1.1
111.04471	0.6
112.04034	1.3
115.04005	3.2
121.06605	0.8
122.09795	0.9
123.08086	0.5
125.02428	0.6
127.03945	1.2
128.07164	0.5
135.08183	0.9
139.07658	0.5
166.08766	1.1
191.05609	1.0
198.11351	1.0
232.13464	0.6
250.14424	1.1
256.03320	1.3
276.19662	0.6
278.21112	0.9
284.23761	0.6
295.10330	0.9
328.22903	1.5
346.23889	3.0
362.23401	1.2
364.24973	3.6
372.21786	2.2
390.22830	14.1
391.23279	1.5
393.34396	0.6
406.22296	0.6
408.08832	2.6
408.23877	100.0
409.19724	0.8
409.24353	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	409.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.2
61.98827	26.7
69.36707	27.8
73.02930	7.6
78.95914	14.5
93.03500	7.1
113.02445	14.7
160.67531	7.5
173.04507	14.1
179.07195	7.8
180.79108	6.9
205.08763	10.0
211.07640	100.0
212.07919	9.1
225.09109	10.3
256.12247	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	409.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.6
59.01374	100.0
59.06445	9.0
59.06851	9.4
61.98829	85.4
65.75697	8.7
71.01376	52.5
73.02924	12.7
83.01357	12.2
83.05077	11.1
84.99846	9.2
85.02961	31.5
87.00886	11.7
88.66675	10.6
89.02450	32.9
101.02431	55.4
106.04271	17.2
107.05038	14.7
113.02441	29.1
119.05019	12.7
121.71605	10.5
123.04561	18.4
150.03194	18.7
159.08157	17.8
161.04572	32.7
161.09734	18.3
162.03265	19.8
173.04558	11.6
177.05544	22.3
185.09755	17.9
191.05608	25.0
192.19391	10.5
195.06738	16.5
202.70714	10.3
203.10782	34.4
205.08704	39.0
205.12503	14.7
214.01611	11.0
223.36844	10.9
229.08681	19.3
247.09879	16.4
256.02539	10.9
300.37009	12.2
410.20734	22.8
410.25555	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	409.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08051	7.3
59.01377	46.1
69.03448	71.3
69.75024	14.0
69.75415	17.7
71.01366	23.8
71.81747	7.4
78.95870	8.1
85.02944	19.9
87.00883	11.1
87.05618	7.1
88.48643	6.4
89.02435	15.5
98.22549	16.0
101.02427	9.0
111.00861	18.2
112.01669	100.0
113.02461	72.6
115.04002	16.2
131.03572	10.7
131.08232	35.4
154.06203	16.8
157.01381	61.8
159.03001	11.9
173.10402	29.7
191.05632	20.4
196.98489	45.6
213.02647	9.8
236.05179	10.6
251.02527	7.1
251.94534	7.2
258.73965	9.3
295.10324	21.4
301.01395	7.4
350.14069	7.1
381.68417	8.0
409.21640	12.5
410.09619	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	409.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
57.27868	1.1
59.01378	100.0
60.01723	2.0
69.30508	2.4
69.30914	4.7
71.01382	58.4
73.02946	4.6
83.01420	1.4
85.02950	43.9
87.00856	4.5
87.04498	1.5
89.02443	73.1
95.01379	4.3
97.02942	1.3
98.22598	2.5
99.00793	1.1
101.02440	28.6
113.02453	24.6
115.04028	4.1
119.03506	32.2
131.03516	7.3
136.47432	1.1
143.03513	6.9
149.04538	1.7
151.22205	1.0
159.40681	1.1
161.04587	8.7
179.04066	2.1
179.05603	34.3
221.06686	9.7
233.06766	1.5
293.08792	1.4
295.10339	8.9
352.07343	1.1
352.33212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03437	1.8
59.01377	100.0
60.01707	1.4
62.98722	1.0
69.03458	1.6
70.46514	1.3
70.46849	1.4
71.01383	53.7
72.99303	1.0
73.02946	3.8
83.01389	1.5
85.02951	43.9
85.90854	0.9
87.00861	4.6
87.04530	2.0
89.02444	86.0
95.01363	2.6
97.02960	1.5
99.00920	1.2
101.02439	27.3
104.46104	1.2
107.03522	1.2
113.02451	23.8
115.03993	4.1
119.03505	33.1
131.03511	8.1
143.03531	8.7
149.04526	3.9
161.04555	10.9
179.05611	46.9
180.05925	1.6
221.06648	11.8
233.06540	1.4
278.16724	1.4
280.97995	1.0
290.94302	1.1
293.08807	2.3
295.10367	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	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26065	0.5
57.03434	0.6
59.01362	2.2
61.98831	4.6
63.05707	0.5
68.20375	0.5
71.01369	1.1
83.05025	22.3
84.15108	0.5
85.02954	0.5
85.06583	7.1
89.02431	0.8
93.03453	1.6
93.28741	0.5
97.06603	0.9
99.66994	0.5
106.04238	10.9
107.05029	34.6
108.05351	0.9
119.05018	11.9
123.04500	2.0
137.41884	0.6
138.03271	0.6
148.05260	1.1
150.03188	1.1
161.09720	22.8
162.03189	0.6
162.10016	1.3
165.05551	0.7
174.06857	1.6
177.05510	1.4
185.09755	1.5
191.05641	0.6
201.09230	1.7
203.10765	100.0
204.11102	5.7
205.08696	3.6
229.08649	3.2
247.09727	36.2
248.10112	2.6
281.81274	0.6
372.78424	0.7
399.03656	0.6
409.14996	15.0
409.23395	0.7
410.15051	0.9
410.25400	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
59.96683	0.3
59.97060	0.3
61.98821	0.9
71.01389	2.2
71.42493	0.3
73.02956	0.7
76.50864	0.4
78.95948	0.4
79.71648	0.3
83.01414	0.4
85.02938	0.5
87.00875	0.8
89.02470	1.9
93.03474	0.8
101.02451	1.4
106.04243	34.6
107.04593	1.1
113.02448	1.0
119.03497	0.8
127.04022	0.5
138.03255	1.9
150.03239	2.8
161.09717	56.4
162.10072	2.3
182.02188	1.1
185.09686	0.9
203.10742	0.4
205.08688	100.0
206.09048	5.9
224.12997	0.3
247.09772	0.3
313.10715	0.7
323.35474	0.4
365.16104	0.5
369.08585	0.3
373.12875	1.7
373.18042	0.6
409.19452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Iandonone
Peak:m/z	Relative Intensity
55.01868	4.4
57.03451	5.5
59.01379	100.0
60.01701	1.1
61.98817	2.2
71.01383	69.7
72.99299	2.0
73.02945	20.4
81.03449	2.4
83.01393	7.2
85.02460	1.2
85.02952	21.7
86.00081	2.5
86.05219	1.0
87.00879	16.8
89.02444	52.9
91.05540	10.6
93.03447	1.7
95.01362	7.0
97.02939	1.3
98.21880	4.5
99.00873	4.0
99.04519	11.9
101.02441	52.4
107.05020	1.2
111.00921	2.3
111.04507	8.9
113.02450	33.5
117.07088	2.1
119.03500	28.1
120.99637	1.3
125.02396	1.0
129.01918	1.9
129.07050	1.4
131.03499	2.4
137.02409	5.2
143.03488	4.6
149.04550	2.6
155.03455	1.8
156.05782	4.9
157.06575	1.6
157.30177	1.3
159.03009	3.9
159.08124	3.8
161.04555	17.2
173.09740	1.1
175.11272	5.4
176.80363	0.9
177.72789	0.9
178.20503	0.9
179.05640	2.9
185.09720	22.6
186.09982	1.1
199.52475	1.0
201.09206	1.2
203.08882	2.2
203.10774	38.2
204.11008	1.4
211.07623	1.1
213.09222	2.7
222.35345	1.0
225.42433	1.0
229.08714	14.8
275.12909	5.3
365.11337	1.7
365.16016	27.9
366.16385	2.3
391.13815	3.6
407.57245	1.4
409.15067	30.0
410.15341	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	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00531	1.1
54.80186	1.2
55.01868	2.6
57.03451	3.5
59.01380	100.0
61.98829	51.9
64.05824	1.3
66.52663	1.2
69.48031	5.5
71.01382	76.2
72.16916	1.3
72.99315	1.5
73.02616	1.4
73.02949	15.5
79.24767	1.2
81.03446	1.6
83.01371	5.6
85.02949	22.1
86.00064	3.2
87.00876	18.1
87.04529	1.4
89.02449	50.0
91.05527	3.0
93.03473	2.3
95.01385	4.7
97.02921	1.6
99.00881	3.5
99.04501	3.2
101.02444	48.3
111.00877	1.9
111.04516	4.2
113.02449	31.2
117.07059	2.2
119.03495	25.5
125.02438	1.5
129.01950	2.7
129.07201	1.7
131.03539	1.9
143.03470	4.4
146.03690	3.5
149.04521	1.5
149.89531	1.1
156.05844	5.0
158.68364	1.3
159.02957	4.2
159.08098	2.0
161.04565	17.9
169.06494	1.6
173.04550	1.9
175.11264	2.0
179.05574	5.4
185.09737	21.1
186.09914	2.3
191.05455	1.8
191.07108	1.4
192.01912	1.2
203.10770	30.1
205.08727	2.7
229.08672	5.4
275.12881	8.2
297.11298	3.7
365.11371	1.6
365.16016	30.7
366.16483	3.1
409.15054	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
57.03440	2.7
58.00593	0.8
59.01376	100.0
60.01711	1.1
60.86924	0.5
61.98831	5.5
69.03445	1.7
69.86236	1.3
69.86590	1.3
71.01378	70.9
72.01713	0.7
72.99310	1.4
73.02940	22.0
75.00880	1.3
77.91273	0.7
81.03450	0.6
83.01388	7.9
85.02947	23.4
86.03287	0.7
87.00861	5.0
87.04515	0.7
89.02441	55.9
90.90607	0.7
93.03456	1.7
95.01387	3.3
97.02978	2.9
99.00870	4.9
101.02440	61.3
102.02805	1.6
107.05042	1.2
111.58221	0.6
113.02448	30.7
114.02821	0.7
115.04014	2.3
119.03500	22.6
125.02412	3.2
129.01939	0.9
131.03506	4.5
133.05089	2.5
134.03792	1.2
135.04517	3.2
137.02452	1.3
143.03508	5.5
148.23236	0.6
149.04530	1.6
154.19193	0.6
159.03008	3.3
161.04550	21.3
165.01981	0.8
165.05580	1.4
173.04605	1.0
175.07719	1.0
179.05602	27.1
180.05960	1.0
187.80057	0.6
190.72652	0.5
191.05620	3.0
195.06639	2.7
221.06680	7.4
231.05011	0.6
247.11818	5.6
278.20905	0.6
295.10324	46.9
295.13541	1.8
296.10681	2.7
296.91931	0.6
409.17136	19.6
410.17358	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	409.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96673	0.9
57.43400	0.9
59.01379	100.0
60.01709	1.2
61.98832	6.1
61.99086	0.9
71.01395	2.3
71.45020	1.6
76.65321	0.9
91.58636	1.1
101.02451	2.2
113.02460	1.4
142.54494	1.2
149.06067	1.4
167.03505	2.3
167.08205	1.0
188.39742	1.0
241.08661	1.3
252.09007	1.0
326.39465	1.0
409.16388	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69017	1.0
55.01875	1.3
59.01379	100.0
61.98858	0.9
63.35012	0.9
69.03455	4.7
70.15036	2.0
71.01378	21.7
73.02963	1.8
85.02956	3.1
87.00887	1.2
87.90810	1.0
89.02446	30.3
93.03454	1.3
95.01393	1.1
97.02959	6.4
101.02436	12.6
103.02676	0.8
113.02457	11.0
119.03515	12.5
123.04536	1.2
131.03482	2.4
133.05109	1.2
143.03516	3.0
149.04622	1.3
149.06070	2.2
161.04544	5.2
179.05637	12.5
193.05040	6.0
295.10260	1.3
295.13931	2.6
349.18735	8.4
350.18515	1.0
373.11356	14.8
409.24399	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61112	0.8
55.01875	1.7
56.15437	0.7
57.03432	2.5
59.01379	100.0
60.01704	1.6
61.98826	2.2
66.69173	0.8
69.03455	2.3
71.01380	47.9
72.99312	1.7
73.02949	15.6
74.17251	0.9
75.00880	2.0
82.60039	0.9
83.01390	3.2
85.02943	12.5
87.00859	4.4
87.04494	1.1
89.02442	44.6
93.03452	1.9
95.01385	2.9
97.02959	2.0
99.00864	2.0
99.04552	0.8
101.02442	34.3
103.03985	1.1
110.26295	0.9
111.04579	0.8
113.02451	23.0
115.04020	10.3
119.03503	18.2
131.03520	4.5
131.04326	0.8
133.05017	4.0
143.03513	3.0
149.04559	1.1
150.17302	0.7
159.02937	1.5
161.04561	12.9
173.04590	1.6
179.05602	4.9
187.13451	1.5
191.05594	4.1
215.61980	0.9
221.06642	2.1
247.11932	1.1
295.10349	99.3
295.13757	7.9
296.10715	4.9
311.16962	1.2
349.14755	0.8
349.18674	19.4
350.18820	2.3
373.11288	3.5
407.64392	0.9
409.12473	1.4
409.16602	1.8
409.20856	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03461	0.9
59.01377	100.0
60.01718	1.0
61.98822	2.5
61.99118	0.7
62.40780	0.7
69.03447	1.2
69.55856	2.4
71.01380	30.5
71.55969	0.6
73.02948	5.2
75.00876	1.0
83.01392	1.9
85.02949	8.1
87.00886	2.4
89.02439	29.3
93.03455	1.2
95.01380	2.2
96.17506	0.7
99.00877	1.9
101.02438	20.1
101.06104	2.5
113.02448	15.4
116.92899	0.9
119.03486	12.4
119.04295	0.9
125.02431	1.1
131.03503	2.0
133.08749	1.2
133.74493	0.6
140.95595	0.6
143.03519	2.2
149.04536	1.4
159.02995	1.4
161.04549	12.4
173.04607	1.1
173.06087	0.7
179.05602	9.1
187.13425	1.5
191.05637	4.3
242.15363	0.7
269.72888	0.7
295.10449	7.7
295.14038	12.0
295.17090	1.1
296.14249	0.8
305.15973	5.3
331.17694	0.8
349.18661	29.4
350.19028	1.8
351.12921	1.0
373.98691	0.8
391.19412	0.7
409.20847	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	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01376	100.0
60.01731	0.9
61.98841	1.3
71.01380	18.4
71.79403	0.7
72.99338	0.8
73.02950	1.7
81.15958	0.6
85.02947	4.8
87.00893	1.5
89.02441	28.1
93.03474	1.2
98.22614	1.8
101.02439	10.5
103.04027	1.8
113.02454	10.4
119.03503	11.3
131.03528	1.9
131.46165	0.7
143.03520	3.4
159.10242	0.8
161.04570	4.5
170.74606	0.7
173.06105	1.1
177.05115	0.6
179.05626	13.2
189.82608	0.8
191.05640	3.6
191.07170	2.5
196.52925	0.7
203.07169	0.7
225.07703	0.7
235.06194	0.9
295.14117	2.9
349.18753	0.8
409.20685	1.5
409.25217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59671	0.6
59.01376	100.0
60.01712	1.4
61.98819	1.6
64.44073	0.7
71.01373	5.8
73.02952	1.4
83.01385	0.9
85.02968	2.9
87.00888	2.0
89.02443	1.5
93.03437	4.9
97.06596	1.6
98.22679	1.6
99.00900	0.9
101.00690	0.8
101.02435	3.8
111.04510	1.0
111.63182	0.6
113.02473	2.4
133.02930	0.8
135.04544	2.1
137.02473	1.1
140.65785	0.6
159.03113	0.7
161.04591	2.4
162.36371	0.6
173.04556	11.1
179.03490	1.0
191.05597	10.6
192.05994	0.8
227.24463	0.8
229.08720	1.2
242.05263	2.3
242.55580	2.0
264.55133	0.7
267.06656	1.1
268.07092	1.0
277.16705	1.5
289.16663	0.9
291.08926	1.3
295.05640	0.8
307.17606	8.4
311.05460	1.0
313.03116	0.7
347.13086	0.8
349.18826	2.0
365.14484	0.9
409.19556	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01374	7.4
61.98829	28.2
69.60201	5.5
71.05038	1.5
71.90247	1.6
80.91682	30.6
84.27845	1.5
85.02952	5.8
91.08658	1.8
93.03502	1.8
95.04991	1.8
96.96018	9.8
97.02974	2.2
97.06570	3.1
98.21896	2.3
99.92578	16.3
100.93336	3.3
115.92078	4.8
116.92928	3.2
125.55176	1.6
137.09755	2.9
163.11290	2.5
165.12860	16.6
167.45523	1.7
171.10242	8.7
179.10591	2.6
183.13843	3.2
193.08456	10.2
193.12125	2.7
205.12143	2.4
207.10043	16.0
209.11794	1.8
211.13383	15.4
219.10078	4.8
221.11580	10.4
229.14383	8.4
231.10059	8.9
233.11592	80.7
234.11884	3.0
235.09393	1.9
248.10178	1.9
249.10945	7.9
251.11409	21.1
252.11450	2.0
261.11115	17.0
277.16888	1.5
291.19666	1.6
294.05658	9.3
313.17822	5.6
327.21725	38.8
328.21979	4.2
331.19211	9.9
344.52448	1.6
349.19928	100.0
350.20319	8.1
374.12057	3.3
409.20206	5.8
410.13840	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	409.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98671	15.8
58.49877	15.7
59.01384	15.6
77.57217	15.3
80.91721	28.2
81.25577	16.3
82.16965	15.6
85.06358	16.3
94.92589	18.6
122.82356	14.7
143.81758	16.4
171.10242	15.9
181.96010	15.8
201.11299	71.8
211.89316	18.1
213.11284	32.5
223.09500	83.0
235.09605	20.7
309.20877	15.0
318.13278	14.9
327.21725	100.0
328.78409	15.2
331.18753	69.0
344.71075	16.3
386.96545	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	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
58.38476	0.4
59.01358	0.8
59.09114	0.3
61.98820	0.5
69.21010	0.7
69.21419	1.7
78.95900	70.3
79.94946	0.4
96.96961	5.7
123.63183	0.4
150.98048	2.1
152.99582	100.0
153.99937	1.3
171.00615	2.8
228.27429	0.4
247.17297	0.5
255.23190	2.4
325.18469	0.8
327.29025	5.3
378.14075	0.4
391.40433	0.4
409.23596	20.1
409.28949	1.0
410.23923	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	409.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79538	0.4
64.82211	0.3
69.82523	0.9
78.95901	64.4
83.36150	0.4
84.32973	0.3
96.96014	0.6
96.96963	5.6
114.13330	0.4
114.93411	1.6
115.54461	0.4
134.89507	0.4
150.97992	1.3
152.99583	100.0
153.99934	0.9
163.11330	0.6
171.00601	3.0
233.15437	0.7
238.52850	0.3
255.23227	1.7
271.22784	0.5
324.46167	0.4
384.98938	0.4
409.23514	19.9
410.23761	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51852	5.7
66.25063	6.8
71.05015	41.2
71.43466	7.4
78.95899	36.3
78.99659	5.8
84.76774	5.4
146.58537	6.5
152.99582	42.0
163.11272	68.8
217.44493	5.8
233.15515	14.1
270.44617	6.2
337.21732	19.2
352.21161	6.6
409.23007	9.6
409.27579	100.0
410.27914	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	410.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.6
59.28244	0.3
61.98828	100.0
65.26064	0.3
66.04678	0.3
66.65047	0.3
67.01887	0.4
69.03454	0.5
69.27799	1.1
71.01373	0.5
72.99316	0.5
83.05038	0.4
84.92647	0.3
85.02954	0.7
87.00918	0.4
89.02466	0.3
93.03474	1.1
97.02934	0.3
111.04529	0.4
113.02471	0.4
173.04659	0.4
185.00984	0.5
191.05640	2.1
192.06042	0.6
237.11572	0.3
243.09198	0.6
269.16666	0.3
299.08240	0.9
325.09964	0.3
337.09799	0.4
411.20361	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	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98253	0.3
59.01378	19.8
59.26682	0.3
59.97374	0.4
60.01688	0.4
61.98828	100.0
64.00047	0.3
64.15399	0.4
69.03425	0.4
71.01384	3.3
73.02939	4.1
73.03239	0.3
80.95097	0.4
83.01395	1.3
85.02997	0.7
89.02440	3.0
92.37012	0.4
93.03481	0.7
100.21593	0.4
101.02454	4.7
102.10007	0.4
111.95319	0.4
113.02472	1.2
116.29694	0.4
119.03481	1.0
128.34888	0.4
134.03758	0.9
143.03555	0.6
149.04602	0.8
161.04613	1.3
173.04576	1.1
191.05612	2.5
192.05898	0.6
202.28096	0.4
203.10712	0.4
233.90822	0.4
267.06668	0.5
411.16486	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	410.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98829	5.5
71.43546	0.5
78.05538	0.5
93.03474	0.6
96.29687	0.4
98.02471	1.3
106.04241	17.2
107.04566	0.5
116.30212	0.5
138.03226	0.8
143.67096	0.4
150.03232	2.2
152.03535	1.0
161.09717	34.8
162.10065	2.0
174.30836	0.4
179.01794	0.6
182.02159	0.5
191.05618	1.6
195.48602	0.5
196.02531	2.5
205.08690	100.0
206.09021	4.1
251.63506	0.4
410.25409	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	410.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	33.0
61.56588	4.8
61.98826	18.6
69.21361	29.2
80.24111	5.1
99.44450	5.9
105.20277	6.2
113.38352	6.5
134.03728	13.2
135.81609	5.2
145.44443	5.3
148.05312	100.0
163.07654	76.0
189.09238	43.7
205.08665	8.2
207.10301	55.3
351.14444	10.4
369.15475	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	410.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92603	24.7
59.01370	94.7
61.98811	47.9
65.95880	23.0
66.98604	22.2
69.04962	100.0
69.05375	85.3
85.02906	27.2
93.63561	22.2
95.72707	25.5
196.24094	24.7
197.05620	29.4
220.90556	28.2
221.55583	27.3
262.44949	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	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.9
61.98819	13.5
70.75365	7.1
71.11915	6.1
77.93216	5.3
79.98105	7.5
91.04556	6.7
92.92804	10.4
94.92525	9.1
116.92815	8.1
140.46614	6.3
171.13925	34.0
174.99091	7.8
217.00284	35.8
285.10196	8.0
287.11725	9.3
295.29129	5.8
313.64038	6.1
328.08545	11.0
329.12827	100.0
339.29755	7.2
411.23691	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	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	78.8
65.91273	29.5
69.45770	52.6
69.46132	100.0
70.45375	25.9
86.23025	26.2
98.22633	55.7
99.42959	27.4
116.31409	27.7
183.02179	34.7
256.34436	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.09666	97.9
93.46378	52.5
99.92603	63.1
167.88960	59.9
363.76001	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	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73707	18.0
61.66678	18.2
61.98811	85.6
62.37810	20.8
70.17339	46.7
77.69403	21.0
78.95895	61.2
84.83582	17.6
97.57757	20.0
98.22531	25.2
99.92590	43.6
116.92091	25.0
116.92876	58.2
123.84171	20.8
152.99582	100.0
170.88327	25.1
200.49539	19.7
246.58211	21.4
294.81235	21.6
301.04697	30.9
353.17191	28.9
395.78925	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61763	26.2
59.01376	27.3
61.98832	32.0
69.41854	100.0
73.60586	21.5
84.33713	24.6
170.99544	26.9
181.11234	23.9
209.96605	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	410.2548
Annotation	Saliniketal B
Peak:m/z	Relative Intensity
54.16710	0.3
54.99918	0.3
55.01874	0.6
57.03444	0.5
57.72476	0.3
59.01369	1.0
61.98832	0.6
69.03463	0.6
70.80061	0.4
71.05006	1.3
72.04536	0.4
73.02940	3.0
87.04523	1.9
95.08662	0.4
96.04546	0.8
97.02960	0.3
98.03732	1.5
110.06114	1.0
112.04040	1.3
114.05585	0.4
126.05627	0.4
128.03508	0.8
138.03099	0.3
168.32175	0.3
205.10385	0.4
208.17056	1.3
218.10402	0.4
231.21143	0.9
249.05598	0.6
274.21796	1.4
292.22760	2.7
308.86377	0.4
330.24228	0.6
348.25433	5.1
349.25650	0.6
366.26334	1.0
392.24390	12.6
393.24780	1.4
408.23743	0.9
410.25433	100.0
411.25800	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	410.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01385	0.5
61.98826	1.2
69.20183	1.0
69.20592	1.7
71.05019	1.7
73.02939	3.1
85.06600	0.6
86.66219	0.5
87.00871	0.6
87.04525	1.9
96.04583	0.7
97.02985	0.4
98.03738	1.8
105.40971	0.4
110.06112	1.1
111.04514	0.5
112.04037	1.2
114.05602	0.5
129.05588	3.8
138.09227	0.4
190.36963	0.4
208.17102	1.3
213.23730	0.6
231.21219	0.9
274.21741	1.9
292.22803	3.3
320.22308	0.7
330.24390	0.6
346.24045	0.5
348.25427	5.0
349.25644	0.6
353.41290	0.5
366.26584	0.7
392.24359	11.9
393.24969	1.2
408.24030	0.8
410.25452	100.0
411.17191	0.6
411.25809	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	410.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03449	1.6
59.01377	11.1
59.76889	0.5
60.01701	1.1
61.98830	43.7
69.03462	1.4
71.01373	3.6
71.05014	2.0
73.02942	7.0
80.05054	0.7
85.02956	1.8
85.06596	1.9
85.22831	0.6
86.06113	0.6
87.04501	1.9
89.02440	1.7
95.05060	0.8
96.04553	1.3
96.96009	1.6
97.02947	1.0
97.93151	0.8
98.03748	3.5
99.04006	0.8
101.02454	2.1
102.02860	0.7
110.06115	1.1
112.04076	0.9
113.02450	0.7
113.92579	0.8
114.05582	1.3
114.93411	5.4
115.04018	0.7
121.02988	1.4
121.06689	0.7
123.04500	1.1
127.04019	0.8
129.05565	0.9
153.05603	1.1
154.76956	0.5
161.04541	1.4
186.50606	0.6
191.05666	0.9
197.04541	1.2
208.17018	1.3
224.12903	1.1
231.21214	1.2
242.14021	4.2
250.14546	1.1
255.19640	0.8
261.33475	0.6
274.21616	1.7
286.13040	0.7
292.22922	3.2
306.20340	0.7
330.24380	0.7
332.24710	0.9
348.18179	2.1
348.25381	5.4
349.18658	0.9
350.18994	5.2
350.25394	5.1
366.26419	2.0
367.03506	1.8
374.23206	1.2
390.22427	1.2
392.24252	22.3
393.24738	1.8
408.24084	1.5
410.18610	3.0
410.25269	100.0
411.13501	0.7
411.25745	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	410.2548
Annotation	Saliniketal B
Peak:m/z	Relative Intensity
55.01854	0.5
57.03449	1.6
59.01377	11.1
59.76889	0.5
60.01701	1.1
61.98830	43.7
69.03462	1.4
71.01373	3.6
71.05014	2.0
73.02942	7.0
80.05054	0.7
85.02956	1.8
85.06596	1.9
85.22831	0.6
86.06113	0.6
87.04501	1.9
89.02440	1.7
95.05060	0.8
96.04553	1.3
96.96009	1.6
97.02947	1.0
97.93151	0.8
98.03748	3.5
99.04006	0.8
101.02454	2.1
102.02860	0.7
110.06115	1.1
112.04076	0.9
113.02450	0.7
113.92579	0.8
114.05582	1.3
114.93411	5.4
115.04018	0.7
121.02988	1.4
121.06689	0.7
123.04500	1.1
127.04019	0.8
129.05565	0.9
153.05603	1.1
154.76956	0.5
161.04541	1.4
186.50606	0.6
191.05666	0.9
197.04541	1.2
208.17018	1.3
224.12903	1.1
231.21214	1.2
242.14021	4.2
250.14546	1.1
255.19640	0.8
261.33475	0.6
274.21616	1.7
286.13040	0.7
292.22922	3.2
306.20340	0.7
330.24380	0.7
332.24710	0.9
348.18179	2.1
348.25381	5.4
349.18658	0.9
350.18994	5.2
350.25394	5.1
366.26419	2.0
367.03506	1.8
374.23206	1.2
390.22427	1.2
392.24252	22.3
393.24738	1.8
408.24084	1.5
410.18610	3.0
410.25269	100.0
411.13501	0.7
411.25745	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	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26976	2.4
55.01871	3.1
55.32946	2.3
55.74886	2.4
56.36544	2.4
59.01380	58.2
61.98831	6.3
69.03456	3.4
69.74553	5.5
69.74936	4.1
70.04369	2.5
71.01383	41.4
71.03218	2.5
72.01721	2.4
72.99298	2.4
73.02943	4.9
85.02956	10.4
87.00903	4.5
87.04520	5.8
89.02439	32.6
95.01403	3.3
99.00893	2.6
101.02438	24.9
111.26785	2.4
113.02455	17.1
115.04034	6.3
118.05106	2.5
119.03490	14.6
121.02933	8.7
122.03805	4.7
131.03485	11.8
134.04752	2.7
135.06664	9.2
143.03497	6.4
147.03001	3.0
149.04654	2.3
150.48579	2.8
153.00481	10.0
153.05586	6.2
161.02516	3.4
161.04552	11.6
161.05949	3.3
162.03293	4.8
165.05609	2.8
171.01479	7.5
173.04559	2.5
177.05434	4.6
179.05602	17.3
180.04114	2.9
186.99216	5.4
195.56505	2.5
197.04651	8.1
199.01012	5.3
214.98724	5.5
222.03900	3.9
229.00385	3.9
244.98216	3.3
254.96663	4.7
263.95764	3.1
267.73724	2.4
294.99835	5.8
297.11911	57.8
298.12350	3.1
299.18890	2.4
320.97958	12.4
322.99326	23.8
325.00986	9.1
338.98694	2.5
341.00375	18.7
350.98837	100.0
351.05554	6.9
351.99310	13.3
357.03522	3.1
357.11908	5.9
367.03271	12.3
411.00983	6.8
411.10394	7.1
411.15277	3.8
429.38522	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	411.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.48242	10.3
61.98822	29.1
69.37556	39.7
78.95899	21.4
88.51144	11.3
191.05630	17.6
213.09213	34.7
217.71074	11.8
264.58344	11.3
301.85251	11.4
331.06650	12.4
411.20377	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	411.131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13845	1.4
52.92137	1.3
59.01374	45.6
61.97058	1.3
61.98821	3.8
63.89923	1.1
63.96207	1.4
64.91788	1.2
69.73576	4.0
74.81766	1.1
78.97305	2.4
79.98102	3.8
94.67154	1.2
94.92490	3.6
99.92582	5.7
115.92053	2.5
116.92859	3.9
118.89983	8.8
132.98187	2.1
134.89482	2.8
135.90265	1.8
141.92365	2.6
161.26382	1.2
171.13892	41.5
172.14250	2.0
174.99257	17.6
217.00278	39.2
229.46213	1.3
254.85918	1.4
285.10110	4.3
287.11792	9.5
329.12787	100.0
330.13132	7.8
336.59250	1.4
340.10892	1.3
375.06860	1.7
376.13248	3.9
411.23502	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	411.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.98822	2.6
72.00908	22.3
87.00887	1.3
91.05544	1.5
103.05558	1.8
111.98908	0.9
113.02468	0.8
126.00531	1.1
129.99976	2.4
131.03516	1.3
138.99995	3.2
147.04526	61.7
148.04871	1.7
149.02477	1.7
150.03227	3.1
158.33984	0.7
164.07169	77.8
165.05547	6.4
165.07521	2.8
166.99487	1.1
167.03587	1.9
172.01025	7.9
185.00548	18.6
189.01620	0.9
191.05550	1.4
195.06610	2.0
201.01772	0.9
277.06860	4.0
327.10928	3.3
330.93628	0.8
369.52261	0.8
375.06976	3.0
411.14154	100.0
412.14362	15.3
418.74741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19440	0.6
57.89738	0.6
59.01377	53.9
61.98821	2.2
64.61771	0.6
66.39296	0.7
69.03435	1.4
70.44234	1.2
71.01380	29.7
73.02957	3.8
76.23979	0.7
80.06483	0.6
83.01374	2.2
85.02946	9.0
87.00861	1.6
89.02441	34.2
90.02762	0.7
95.01403	2.0
96.95982	3.7
98.21949	0.9
99.00863	0.9
101.02441	22.4
102.02743	0.7
103.03983	1.1
113.02448	15.4
114.47131	0.6
117.05544	0.9
119.03497	12.3
121.02954	1.8
130.47070	0.6
131.03499	2.1
135.06635	16.6
136.06947	0.8
138.03255	1.0
143.03561	3.2
153.05600	1.1
159.02977	0.9
161.04550	8.4
179.05608	9.0
181.02834	0.7
197.04587	2.8
237.56340	0.6
283.10025	0.7
297.11896	100.0
298.12225	4.3
367.03458	3.4
411.15048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
59.01379	42.1
61.98815	1.1
63.43661	0.6
69.03445	1.2
70.48146	1.2
71.01383	23.6
72.99312	0.6
73.02953	3.1
76.47308	0.6
83.01378	1.5
85.02949	7.6
87.00890	0.9
89.02448	28.6
95.01379	2.6
96.96020	1.0
99.00877	0.9
101.02448	17.0
103.03988	0.8
113.01728	0.5
113.02446	12.7
119.03506	12.9
121.02968	0.7
128.76381	0.6
131.03470	1.2
133.05106	0.6
135.06636	14.2
135.07590	1.1
143.03482	2.4
149.04536	0.7
161.04576	7.1
179.05643	7.1
192.26347	0.6
197.04515	1.1
297.11890	100.0
298.12177	5.9
411.15088	1.1
432.93018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1659
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01885	2.0
59.01379	80.7
60.49129	0.8
60.87663	0.9
61.98831	1.4
63.47654	0.9
71.01381	33.3
72.99293	1.6
73.02943	2.6
83.01392	1.5
85.02950	7.9
86.98014	0.8
89.02444	25.2
95.01400	3.1
100.93376	1.8
101.02443	16.8
108.02145	2.8
113.02448	10.4
115.92099	1.2
117.04977	1.0
119.03493	8.3
133.02968	1.4
135.04488	2.3
144.86920	0.9
146.03705	1.3
149.04625	1.0
152.01109	2.0
155.48422	0.8
158.03688	1.1
159.04533	4.6
161.04565	2.7
167.03511	3.1
172.05316	4.0
173.06026	6.7
174.06758	1.0
179.05396	0.8
187.04109	4.1
187.07646	25.3
188.08105	1.5
191.05679	0.9
201.05563	7.1
201.09216	1.0
202.04462	1.9
202.06352	34.1
203.06694	2.2
203.10744	2.0
213.09366	1.0
216.07890	2.3
231.10249	49.2
232.10654	2.1
249.11441	1.2
297.09958	2.2
347.83524	0.9
411.16611	100.0
412.17029	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	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03420	1.1
59.01378	100.0
59.12399	0.9
60.01693	1.1
61.98819	1.6
69.03432	2.1
69.51402	3.1
69.74329	1.0
71.01380	27.2
71.05017	2.0
73.02946	74.0
74.03287	1.3
83.01386	15.6
85.02947	3.2
86.25079	0.8
87.00867	1.2
87.04526	1.4
89.02447	11.5
93.03457	2.4
97.02930	1.3
98.03722	3.8
99.00885	1.3
101.02446	44.9
102.02769	1.0
102.84149	0.9
108.02183	0.8
109.02949	2.7
113.02442	12.0
114.05643	1.3
119.03495	3.4
125.02421	3.3
131.03499	4.4
143.03493	4.3
149.04546	4.7
152.01189	1.9
152.44841	0.8
161.04564	9.8
167.03479	3.3
173.04509	2.2
174.07364	0.9
189.09253	1.0
191.05629	2.9
203.05713	1.0
221.06665	1.4
311.92987	0.9
332.25870	4.8
348.25534	1.3
349.25729	1.1
350.26764	2.7
358.23926	5.4
376.25070	7.1
394.25977	17.1
404.13507	0.9
410.25516	1.5
411.11575	1.2
411.25885	7.4
412.27029	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16980	0.8
57.03428	1.2
59.01379	100.0
60.01701	1.3
61.98822	1.8
69.06554	5.5
69.06939	1.2
70.90814	0.8
71.01394	4.2
72.59845	0.8
73.02943	5.7
85.02918	1.2
87.00874	1.0
89.02436	2.2
93.03446	0.8
96.04495	1.1
101.02457	5.1
102.20337	0.8
113.02461	2.6
114.05590	0.8
117.65540	0.7
119.03523	1.4
119.05009	2.5
122.03662	1.0
133.02950	1.5
134.03752	4.8
135.04517	4.3
137.02420	1.2
147.04515	2.4
149.02448	5.2
149.06079	2.0
150.03255	4.8
156.98631	0.9
161.04559	2.1
161.09741	0.8
162.03197	2.5
163.03938	1.9
164.04752	1.2
165.05504	3.1
173.04567	1.2
177.05484	4.6
179.05630	1.6
193.05069	1.4
195.06662	1.0
196.67677	1.0
322.07599	1.0
348.06110	3.6
363.08533	5.9
376.25034	0.9
393.09506	1.5
393.24573	1.5
394.25867	2.7
396.08212	1.5
410.25421	1.8
411.10562	11.4
411.25488	6.6
412.10870	1.3
412.16479	1.1
412.27005	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	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27248	0.1
52.94225	0.1
59.01168	0.1
59.01377	1.1
61.98820	0.6
65.28330	0.1
69.13569	0.8
93.03455	1.8
95.05048	0.2
98.22619	0.3
101.02466	0.2
106.04228	0.6
112.51503	0.1
113.20065	0.1
121.02962	2.2
133.10222	0.2
134.03735	6.9
135.04126	0.1
136.01668	0.2
137.02419	0.2
145.06564	0.2
146.03690	0.3
146.07401	0.2
147.08118	0.2
152.04767	0.4
156.05766	0.2
159.04488	0.3
159.08179	0.2
161.08430	0.3
161.09709	3.8
162.10075	0.2
165.18567	0.1
170.07336	0.4
171.08145	5.2
172.08466	0.2
173.06073	3.3
174.06857	0.8
187.07605	0.5
189.09203	16.6
190.09561	0.7
207.10252	100.0
208.10591	5.5
295.37442	0.1
411.16644	3.3
412.17157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19256	0.8
52.00270	0.9
55.01879	8.0
57.03457	4.8
59.01377	76.5
61.98826	4.0
62.70394	0.9
62.91515	0.9
65.18828	0.8
66.11494	0.9
69.03456	1.7
69.28053	0.8
71.01379	70.8
72.01692	1.5
72.99316	2.5
73.02947	30.7
83.01381	18.6
85.02950	36.0
87.00909	4.5
89.02449	22.9
93.03468	2.2
95.01376	5.3
97.02976	1.9
99.00872	8.6
101.02439	100.0
102.02780	2.9
107.05013	1.2
111.00892	3.6
113.02448	34.8
119.03495	9.7
119.05008	1.7
123.04449	0.9
125.02452	2.0
131.03477	2.0
135.04533	3.1
136.04063	1.6
137.02443	1.3
140.16690	1.0
143.03476	4.7
152.01193	1.1
159.03027	6.1
161.04555	32.9
161.05856	2.0
163.04100	1.1
167.03470	1.8
177.59821	1.0
179.05644	3.5
182.08730	1.1
191.05595	2.3
231.10265	1.4
249.13422	67.6
250.13753	4.0
288.10699	0.9
411.18686	48.7
412.19089	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	411.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19256	0.8
52.00270	0.9
55.01879	8.0
57.03457	4.8
59.01377	76.5
61.98826	4.0
62.70394	0.9
62.91515	0.9
65.18828	0.8
66.11494	0.9
69.03456	1.7
69.28053	0.8
71.01379	70.8
72.01692	1.5
72.99316	2.5
73.02947	30.7
83.01381	18.6
85.02950	36.0
87.00909	4.5
89.02449	22.9
93.03468	2.2
95.01376	5.3
97.02976	1.9
99.00872	8.6
101.02439	100.0
102.02780	2.9
107.05013	1.2
111.00892	3.6
113.02448	34.8
119.03495	9.7
119.05008	1.7
123.04449	0.9
125.02452	2.0
131.03477	2.0
135.04533	3.1
136.04063	1.6
137.02443	1.3
140.16690	1.0
143.03476	4.7
152.01193	1.1
159.03027	6.1
161.04555	32.9
161.05856	2.0
163.04100	1.1
167.03470	1.8
177.59821	1.0
179.05644	3.5
182.08730	1.1
191.05595	2.3
231.10265	1.4
249.13422	67.6
250.13753	4.0
288.10699	0.9
411.18686	48.7
412.19089	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	411.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48568	0.2
59.01380	2.2
61.98827	100.0
67.01912	0.4
69.03458	0.7
69.23074	1.5
71.01376	0.6
72.99309	0.7
75.42651	0.2
85.02975	0.4
89.02441	0.5
90.19846	0.3
97.02982	0.3
101.02451	0.3
108.58606	0.2
111.00915	0.3
113.02498	0.6
120.54805	0.3
129.71535	0.3
186.12479	0.4
191.05635	0.4
239.05559	0.2
243.09088	0.6
249.14973	0.7
299.08218	1.1
337.09573	0.4
367.67111	0.3
370.36920	0.3
411.09830	0.5
411.20261	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	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55175	0.3
55.01875	0.5
55.62394	0.3
57.03452	0.5
58.00594	0.3
59.01379	100.0
60.01715	1.0
61.98833	0.8
69.03457	0.3
69.30479	1.2
71.01381	10.9
73.02947	17.9
74.03292	0.2
75.00869	0.4
82.56675	0.2
83.01392	3.4
85.02945	3.3
87.00885	0.3
89.02444	5.8
92.54459	0.2
95.01411	0.8
97.02987	0.4
101.02443	14.4
102.02800	0.3
113.02448	8.0
116.20713	0.2
119.03487	2.1
121.06626	0.5
125.02468	0.7
131.03513	1.3
137.09718	5.3
137.10663	0.4
143.03497	1.1
149.04594	1.0
149.09872	0.2
155.03534	0.3
161.04584	2.7
179.05632	0.4
187.07672	0.5
187.11433	0.3
189.12900	0.6
191.05559	0.3
195.71700	0.3
202.06409	0.6
203.05612	0.3
205.12306	0.3
206.52061	0.2
221.10005	0.2
222.07878	0.2
231.10358	0.6
312.02805	0.2
411.16541	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	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10029	0.3
55.01876	0.7
57.03432	0.5
58.90322	0.3
59.01377	100.0
60.01702	0.7
61.98834	0.5
69.03454	0.4
69.30408	1.5
69.30750	0.4
71.01376	12.7
72.99287	0.3
73.02942	20.3
75.00864	0.4
83.01389	4.1
85.02949	2.9
87.00890	0.3
88.32957	0.3
89.02441	6.3
95.01407	1.0
97.02990	0.5
99.00938	0.4
101.02435	15.8
113.02450	8.3
113.03242	0.4
114.02757	0.4
119.03480	2.3
121.06582	0.5
125.02454	0.8
131.03529	1.1
133.63060	0.3
137.09717	5.3
143.03526	0.9
149.04587	0.4
149.09698	0.3
155.03502	0.6
161.04543	3.2
179.05634	0.8
187.07645	0.4
187.11362	0.9
188.14708	0.3
189.12912	0.8
202.06409	0.8
205.12303	0.4
221.06554	0.3
231.10246	0.6
328.93155	0.3
411.16650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92399	0.5
55.01884	0.7
59.01377	100.0
60.01701	0.9
67.41207	0.7
69.13113	3.6
69.13426	1.1
71.01379	20.2
73.02943	33.8
81.03462	0.8
83.01373	6.9
85.02943	3.9
87.00883	0.7
89.02439	8.6
95.01396	1.4
98.21881	1.2
99.00900	0.9
101.02436	26.6
104.83945	0.5
111.60012	0.6
113.02434	10.1
119.03498	2.9
121.06616	1.1
125.02504	0.9
131.03525	2.4
137.09732	8.5
137.38913	0.6
143.03548	1.6
149.04564	1.3
155.03523	1.5
161.04576	4.4
179.05664	0.6
188.71637	0.5
189.12906	1.4
203.05721	0.7
238.18323	0.6
382.59851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38376	15.4
59.01371	49.7
61.98830	26.7
65.97634	15.7
69.20016	100.0
69.31425	15.0
76.94685	14.9
84.83518	14.2
109.89495	16.6
231.10074	22.7
236.86835	18.3
331.14508	19.9
349.88043	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.76154	14.8
61.98825	46.7
69.46989	71.8
71.01386	54.8
73.74187	15.8
80.06267	14.7
82.75430	15.0
85.02910	20.1
89.02410	33.6
93.67262	15.5
96.95992	23.1
101.02429	30.1
114.93435	30.1
121.02886	21.1
149.99535	18.4
184.90558	18.6
197.04497	25.3
231.10263	23.1
268.05411	21.4
279.14435	23.1
282.63086	16.0
358.36435	18.0
367.03036	19.3
371.54758	17.0
371.87277	17.0
411.18625	30.9
411.25061	63.2
412.19797	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.1
80.91673	19.4
83.05009	2.0
84.02150	1.8
96.54396	1.4
99.08167	4.2
99.92564	12.7
100.93361	1.6
115.92068	2.9
116.55189	1.7
116.92846	1.7
125.09721	4.3
127.11279	1.7
130.98306	2.0
137.09669	2.1
139.11259	4.1
163.11354	1.7
165.08989	1.8
165.12846	19.2
171.10242	8.0
183.13893	4.5
191.06981	2.0
193.08430	15.7
193.12189	2.3
211.13390	22.7
219.09920	2.7
221.11533	8.7
229.14410	8.6
231.10156	9.2
233.11581	100.0
234.11903	6.0
249.11163	10.3
251.11440	17.5
251.12570	17.8
257.13861	2.1
258.44839	1.6
294.05652	5.9
329.23315	50.5
330.23532	3.3
351.21490	81.1
352.21744	6.1
376.13550	2.7
411.16470	1.8
411.22543	5.2
412.15668	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82641	2.8
51.96991	3.2
53.88685	3.1
54.49713	2.9
59.01382	100.0
71.34769	2.9
71.52360	3.1
79.98120	8.5
84.73735	2.8
123.29655	3.1
165.07236	3.0
375.47739	3.9
411.30975	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29112	0.6
59.01376	100.0
60.01712	0.9
61.88306	0.6
61.98814	0.7
69.25801	1.8
69.26187	1.3
77.31375	0.7
79.98123	1.0
114.17638	0.6
116.78045	0.7
123.64706	0.6
293.33777	0.7
360.27689	0.7
379.52347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42855	0.3
56.67997	0.3
59.01379	2.9
61.31802	0.3
61.98827	100.0
63.96254	0.3
70.60474	0.5
71.01374	1.7
72.99333	0.3
83.01353	0.3
83.05003	0.3
85.02967	1.0
87.00873	1.7
89.02457	0.8
91.76133	0.4
93.03455	2.8
96.96030	0.5
99.92608	1.1
100.93397	0.7
101.02465	1.3
113.02473	1.6
114.05643	0.7
115.92088	0.8
116.92857	7.2
118.03020	0.7
119.03471	0.3
125.32150	0.3
135.04536	0.5
137.02475	5.1
137.03584	1.8
145.05148	0.4
161.04608	1.3
169.08751	1.3
173.04651	0.5
191.05594	0.8
191.07176	0.5
191.98961	0.3
235.08261	3.5
236.08421	0.3
266.17630	0.3
296.97174	0.5
339.46820	0.3
352.17993	0.3
367.17136	0.3
367.42496	0.3
370.19000	0.9
390.02896	0.3
412.12250	0.5
412.18637	0.3
412.98486	0.5
413.14896	0.4
413.19901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.4
59.01379	2.7
61.98828	100.0
69.54022	1.2
69.83425	0.3
71.01389	0.8
73.85936	0.3
77.20592	0.4
93.03449	2.1
98.22593	0.4
101.02369	0.4
108.04562	4.0
113.02463	1.4
136.04028	2.9
137.02448	5.3
163.43835	0.3
165.88620	0.3
191.05672	0.4
207.47054	0.3
235.11882	0.6
299.07834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92939	0.2
59.01373	1.6
61.98827	100.0
69.15862	0.2
69.35577	0.8
69.35984	0.6
70.92651	0.2
71.01381	0.6
73.02960	0.3
83.01385	0.3
84.92790	0.2
89.02452	0.3
101.02417	0.4
101.06427	0.3
107.05048	0.3
113.02443	1.5
113.96182	0.3
137.06081	1.4
142.25484	0.3
143.97578	0.2
191.05632	0.4
235.11923	0.8
287.43494	0.3
326.89059	0.3
413.27487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
56.01809	3.4
56.29385	3.6
57.00294	3.8
59.01377	100.0
59.82132	4.0
60.01689	5.1
61.98820	18.4
69.03461	4.9
71.01376	39.6
71.05042	7.1
71.42441	4.4
73.02942	41.9
74.03275	7.3
75.02245	3.8
78.83360	4.2
81.05880	3.8
82.20383	3.6
83.01382	7.4
84.67823	3.7
85.02952	15.1
85.82244	4.1
89.02443	28.1
93.03438	5.3
97.02951	5.6
101.02430	30.6
111.04472	5.4
113.02454	19.7
114.05620	6.1
119.03479	10.5
123.04511	4.4
129.07047	5.9
130.07542	5.1
130.08710	4.7
149.04546	8.5
161.04536	6.6
173.04495	7.0
179.05756	5.2
189.09193	20.6
190.08113	4.1
190.09550	27.1
191.05635	25.1
191.10854	6.2
192.11128	7.1
207.67973	3.9
209.65578	4.3
231.10268	5.1
232.10478	10.6
233.08104	4.8
251.09264	12.6
261.58459	4.0
331.09167	4.5
332.25717	4.5
350.26236	5.4
358.23880	8.1
370.02838	4.6
394.25751	19.8
407.22629	4.0
411.25861	5.3
412.26953	77.7
413.14389	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73724	0.6
52.23971	0.6
54.45059	0.6
54.92799	0.5
55.01866	0.6
55.04301	0.5
58.76548	0.5
59.01378	44.3
61.98798	0.6
70.79813	0.7
71.01379	18.3
71.05037	0.5
72.04534	0.8
72.99292	0.8
73.02936	1.5
74.69906	0.6
77.11991	0.6
83.01366	1.6
84.04539	13.2
85.02950	4.0
87.00928	0.8
89.02437	12.2
91.05530	13.1
93.03477	0.6
95.01406	1.3
96.04549	2.9
98.03723	1.0
98.21981	0.5
101.02439	7.5
103.49036	0.6
111.04543	0.5
113.02442	4.9
118.05834	0.9
118.06625	13.3
119.03481	2.4
123.29781	0.5
129.05583	0.6
134.03723	0.7
135.04517	0.7
147.04530	9.3
164.03595	0.8
164.07178	1.2
179.02228	2.3
188.10825	13.1
189.11066	0.7
191.05603	0.6
194.04546	0.9
198.51761	0.5
232.09773	100.0
233.10156	7.0
238.03603	6.2
251.26219	0.7
332.25854	1.5
344.63190	0.5
358.23846	1.0
376.24820	2.1
394.25995	5.5
412.16104	58.6
412.26974	18.6
413.16440	6.7
413.27493	1.3
430.02167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47168	0.7
59.01379	0.8
61.98827	4.5
64.57780	0.8
67.01884	1.1
69.03456	17.5
69.37577	2.3
71.01363	0.9
77.01629	0.8
85.02956	1.6
97.02953	100.0
98.03304	2.4
99.92581	2.8
105.94301	0.8
109.02961	1.0
115.92021	1.0
116.73273	0.7
123.04529	1.1
142.87631	10.2
149.06052	0.8
166.08719	1.5
185.56506	0.8
200.10646	0.9
201.09291	1.3
250.06650	0.9
253.08418	1.0
254.09303	0.9
290.04544	0.7
314.13840	1.4
324.19858	1.0
327.21701	0.8
329.22961	0.9
330.23346	1.4
352.04047	1.2
353.70987	0.8
368.18750	1.9
376.88132	0.8
393.98123	1.4
396.98422	1.0
412.06168	1.2
412.17770	7.2
413.18799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96261	13.4
58.40185	14.0
59.01382	100.0
61.98826	17.9
70.60058	25.7
71.01361	58.6
84.14668	14.4
89.02427	62.3
92.38799	14.9
96.00546	14.0
100.51252	15.8
101.02425	26.4
106.04225	18.1
107.05020	30.6
113.02425	37.7
119.03473	26.5
119.05008	33.7
137.06085	88.5
161.09680	34.2
205.08684	83.7
207.09216	22.7
227.60345	16.0
365.94568	15.8
402.42889	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98826	14.6
69.67595	2.9
70.59466	2.9
71.01374	26.6
73.02924	3.8
78.19772	3.2
89.02448	35.1
98.21841	5.6
101.02438	9.9
113.02429	17.5
119.03502	12.6
136.46968	3.6
143.64688	3.2
153.86272	3.4
161.04524	5.4
166.38725	3.4
179.05562	7.4
190.93758	3.5
279.82581	3.2
299.11249	25.3
392.37762	3.9
412.16885	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	412.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24965	18.9
61.98838	45.0
68.95277	22.4
69.10032	50.6
69.10435	100.0
69.36655	23.8
76.19537	23.0
84.29094	20.5
116.92928	24.1
139.17906	21.6
146.81139	20.9
223.97250	28.1
295.22729	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51590	47.5
61.98816	100.0
78.30091	40.0
79.98148	45.3
96.96012	47.9
99.92587	71.6
116.56141	45.7
118.89977	87.8
208.47162	45.8
263.11603	43.2
376.13766	49.3
382.46609	51.9
412.16968	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09233	32.3
61.98824	100.0
63.10575	33.0
69.45516	74.5
69.45908	68.0
88.72466	31.3
93.46329	39.9
122.16248	38.4
128.82719	30.3
210.81436	33.7
316.45544	31.5
438.20187	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.98811	1.7
65.21071	0.4
69.03472	0.5
69.15357	2.4
71.01378	1.6
71.05034	2.5
73.02941	3.5
85.02951	1.1
85.06577	0.7
87.04493	1.6
88.98797	0.5
89.02428	0.7
93.03440	1.4
97.02917	0.5
98.03740	4.2
101.02453	1.5
113.02454	2.2
114.05589	1.4
114.29642	0.4
116.07168	1.2
129.10327	0.8
130.08749	1.3
137.02437	4.1
137.06047	4.9
161.04559	1.7
169.35127	0.4
191.05565	0.6
236.16563	0.7
236.86365	0.4
263.11356	1.3
287.16318	0.4
288.26953	0.6
290.21283	0.5
296.64935	0.4
298.10428	0.6
304.26315	0.7
306.20496	0.4
308.22186	0.5
314.24902	1.4
330.24234	0.4
332.25937	8.1
348.25470	0.7
350.26923	3.9
358.23889	7.9
359.24246	1.0
376.25027	11.9
377.25162	1.0
392.24438	1.3
394.25946	26.3
395.26370	2.5
412.27011	100.0
413.27393	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	412.9817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
59.80422	0.2
61.98832	5.0
69.47157	0.4
69.47567	0.7
69.52314	0.2
71.01362	0.2
73.29011	0.2
75.40402	0.2
83.93106	0.3
84.93872	3.1
87.00878	0.2
88.04008	0.3
89.02443	0.3
93.03511	0.2
98.21873	0.4
98.95444	0.6
99.92587	13.5
100.92650	0.7
100.93361	8.2
101.93382	0.5
112.03977	0.2
112.98862	0.3
115.92083	11.9
116.92863	100.0
117.92869	4.6
121.02959	0.6
123.00887	0.2
126.94933	2.5
135.04541	0.3
137.02458	0.5
142.94444	0.4
147.04529	0.5
149.06116	0.5
153.01955	0.7
153.05594	0.4
153.93694	0.5
154.79370	0.2
161.02469	0.3
165.05635	0.3
169.93187	0.6
170.93930	5.5
171.93976	0.3
186.93404	0.5
191.05563	0.5
194.93880	0.5
195.01286	0.3
196.30867	0.2
197.04550	0.6
197.92616	0.9
198.93440	1.7
206.93910	0.4
209.08176	0.2
214.92892	3.4
221.96359	0.4
222.93361	1.1
237.95718	1.1
251.08994	0.3
280.97672	0.6
296.97083	2.7
297.97293	0.4
312.96515	0.7
368.20724	0.2
394.24805	0.3
394.97119	1.9
412.20428	0.3
412.26013	1.2
412.98163	4.1
413.20068	0.3
413.27255	0.4
413.98434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.9816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60763	0.2
57.03453	0.3
59.01370	1.0
61.98829	11.9
69.65897	0.3
69.66245	0.7
71.01372	0.6
79.64051	0.2
83.29673	0.2
83.93099	0.5
84.93869	4.1
85.02971	0.3
89.02440	0.3
93.03455	4.2
94.91414	0.3
98.95441	1.0
99.92583	13.3
100.66239	0.3
100.92659	0.6
100.93359	10.2
101.93376	0.3
109.94656	0.2
112.98859	0.4
113.02456	0.4
114.79659	0.2
115.92072	8.5
116.92858	100.0
117.92864	4.9
119.03459	0.2
120.95419	0.2
121.02953	0.5
126.94941	4.6
127.94930	0.3
137.01427	0.5
137.02449	7.0
137.03487	0.4
142.94434	0.4
153.01904	0.3
153.05571	0.4
153.93689	0.6
169.93164	0.5
170.93912	5.8
182.02159	0.3
194.93932	0.6
195.02913	0.3
197.04520	0.7
197.92673	0.8
198.93381	1.5
214.92882	3.1
215.93074	0.3
222.93410	1.1
237.95802	1.2
251.09462	0.3
265.95187	0.3
280.97556	0.9
281.98169	0.2
296.97083	2.8
312.96515	0.7
350.98148	0.4
394.97131	1.6
395.97202	0.3
412.19415	0.2
412.98193	4.5
413.19681	1.2
413.98218	0.3
414.19504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03442	0.3
58.00581	0.4
59.01378	23.4
61.98828	6.4
69.03452	0.9
69.15818	2.2
71.01382	12.0
73.02956	0.8
83.01382	0.5
85.02946	2.5
87.00867	0.5
89.02442	15.1
93.03456	44.7
94.03793	1.4
95.01382	0.8
101.02439	7.1
101.46101	0.4
113.02447	9.0
119.03500	6.2
119.05022	2.4
131.03522	1.1
137.02440	100.0
138.02756	3.2
143.03493	1.5
144.49486	0.3
149.04599	0.7
161.04485	1.8
179.05603	4.3
295.29202	0.4
299.07727	10.2
299.11380	11.7
300.11691	0.8
307.00308	0.4
311.20563	0.4
319.46405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
59.50153	0.3
61.98826	1.4
69.03463	1.7
71.01377	3.5
72.99307	0.3
73.02933	0.4
73.39201	0.3
74.02465	0.5
75.17944	0.3
81.03450	0.4
85.02952	0.7
87.00887	0.4
87.04510	5.5
89.02446	4.5
93.03490	0.7
99.58415	0.3
101.02438	2.2
106.10178	0.3
108.02203	0.5
109.02934	0.7
113.01706	0.6
113.02453	9.1
119.03517	1.6
119.05028	1.6
119.41877	0.3
130.08698	0.3
131.03503	16.5
132.03819	0.6
136.01671	1.8
137.02444	100.0
137.06029	3.2
137.45181	0.3
138.02782	3.1
143.03528	0.4
161.04543	0.8
179.03506	0.5
179.05609	0.9
194.05957	0.4
209.08174	0.5
251.09221	3.8
253.82266	0.3
299.07779	24.7
299.11343	4.0
300.08081	1.5
332.38763	0.3
413.14453	4.6
413.27716	0.8
414.14111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98809	1.3
65.03938	0.3
68.52155	0.3
69.03455	0.9
70.12791	0.8
71.01371	2.0
73.02956	0.4
85.02942	1.3
88.04050	0.8
88.47868	0.4
93.03452	55.2
94.03786	1.3
96.61900	0.5
101.02468	0.8
109.02937	0.5
112.04114	0.3
113.02440	4.0
114.05584	2.2
121.02984	0.3
125.02425	0.4
129.10338	0.9
137.02438	100.0
137.06044	9.6
138.02763	3.1
161.04579	1.8
243.83322	0.3
299.07846	2.5
299.10782	0.6
302.86389	0.4
337.16559	0.3
413.23840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05902	0.3
59.01358	0.4
66.30302	0.3
69.03461	0.7
70.78530	0.3
70.78856	0.4
71.01385	0.5
71.43866	0.3
93.03451	54.3
94.03791	1.6
98.18273	0.2
113.02425	1.5
121.02992	0.3
137.02435	100.0
137.05957	2.3
138.02786	2.7
161.04572	0.6
179.03639	0.3
180.91376	0.3
299.07751	3.6
320.83875	0.3
348.78824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94754	0.2
55.01862	1.0
57.03443	0.4
59.01378	4.5
61.98814	0.2
69.03457	3.5
69.34947	1.4
71.01379	11.8
73.02944	3.4
73.79485	0.2
75.82936	0.2
80.93101	0.3
81.03447	0.5
83.01392	1.4
85.02946	4.7
89.02425	0.8
93.03471	1.2
95.01383	1.0
97.02939	0.4
99.00879	1.1
101.02444	6.5
106.04237	2.8
107.05038	6.0
111.99192	0.2
113.02448	19.3
114.02814	0.4
115.20332	0.3
119.03531	0.8
119.05037	3.5
125.02452	0.4
137.02579	1.4
137.06081	100.0
138.05484	0.3
138.06430	3.8
143.03510	0.6
149.06108	0.6
151.03992	1.0
159.03035	1.7
161.04555	16.3
162.04897	0.8
221.08212	0.3
254.12943	0.4
290.96118	0.3
299.11349	3.2
414.18704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
59.01367	2.4
69.03461	3.6
69.66271	0.3
71.01380	11.4
73.02950	3.6
81.03446	0.5
83.01389	1.0
84.28867	0.4
85.02952	4.9
89.02451	1.0
93.03450	0.8
95.01406	1.2
98.00094	0.4
99.00883	1.2
101.02437	6.6
106.04244	3.1
107.04996	0.9
113.02446	20.5
119.05026	2.9
137.06081	100.0
138.06441	3.0
143.03506	1.1
147.89851	0.3
159.02954	1.2
161.04556	18.2
162.05019	0.5
168.47044	0.4
189.09213	0.4
194.63683	0.3
218.05850	0.7
221.08179	0.5
233.08142	2.0
248.16129	0.4
257.47137	0.4
299.11362	4.0
300.11829	0.6
413.14420	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03441	1.1
59.01375	86.8
60.01705	1.0
61.98814	3.1
69.03444	6.6
69.46629	3.9
71.01379	46.7
72.99291	1.5
73.02937	2.7
83.01393	2.0
85.02939	9.6
87.00877	2.1
87.05630	3.8
88.04042	12.4
89.02437	62.0
93.03426	1.6
93.51682	1.0
95.01379	2.7
96.81316	0.9
99.00823	1.4
101.02440	26.2
107.05014	2.9
112.04027	1.3
113.02438	42.9
114.02761	1.9
119.03511	27.4
119.05011	32.3
121.03031	1.5
125.02423	2.0
129.06693	5.2
129.10269	1.2
130.08730	5.9
131.03473	3.1
135.04491	1.0
137.02438	100.0
137.06047	11.3
138.02792	2.7
143.03506	3.9
143.11847	1.4
149.04582	2.1
161.04530	7.7
179.05585	13.8
187.11072	1.3
191.05556	0.9
194.43144	0.9
222.46602	1.0
256.20328	1.3
263.11386	1.3
280.69492	1.0
299.07794	7.3
299.11301	74.9
300.11688	4.9
358.84036	1.1
412.26944	1.4
413.22913	10.8
413.27817	6.2
414.19177	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	25.2
63.30699	1.7
65.23569	1.7
65.98053	1.9
69.03455	4.1
69.15036	13.1
71.01381	56.9
72.99296	1.9
73.02976	2.3
77.10715	1.7
80.96474	1.8
83.01403	1.7
83.29369	1.9
85.02962	10.5
89.02444	70.3
93.03460	35.0
95.01382	3.9
98.21859	4.1
101.02444	29.2
113.02451	32.3
119.03514	27.1
119.04990	10.6
121.02887	1.7
130.08745	2.2
131.03505	5.3
137.02449	85.4
138.02817	3.5
143.03526	5.4
149.04555	3.6
151.14487	1.7
151.88503	1.8
161.04530	6.3
166.64082	1.7
172.80588	1.7
179.05583	18.9
191.10757	9.4
217.41444	1.7
240.40816	2.3
251.09329	3.8
299.07767	8.4
299.11295	48.7
300.11789	3.1
317.76776	1.8
413.13849	2.8
413.27719	3.2
414.19241	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	413.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	59.5
61.98819	2.9
66.92880	1.8
71.01385	20.9
73.02935	11.2
78.95895	5.7
83.01373	5.1
85.02958	11.0
88.59628	1.9
89.02002	1.7
89.02454	14.5
93.03444	3.3
96.96012	16.8
96.96954	6.4
97.02975	3.6
99.00890	3.7
99.92606	2.0
101.02442	23.8
113.02437	8.2
116.92867	18.0
123.99277	2.6
125.02391	2.6
131.03511	9.6
133.00679	1.9
133.02994	2.9
135.04507	7.2
136.00383	2.1
145.18567	2.3
149.04509	2.0
161.02437	2.1
161.04498	5.8
179.03453	4.1
191.05574	6.9
213.17079	1.9
221.10283	31.0
242.80405	1.9
251.02463	2.3
315.10928	1.8
353.14493	100.0
354.14822	7.1
375.06931	14.8
413.20923	2.7
414.19290	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	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27591	0.3
59.01377	72.8
59.83281	0.3
60.01708	0.7
61.98806	0.3
69.51849	0.8
71.01391	1.6
73.02944	1.0
79.05527	0.5
85.02953	0.6
89.02443	0.9
93.32790	0.3
97.02910	0.3
101.02459	0.9
113.02448	0.4
118.04173	0.4
130.04265	1.7
130.08687	0.5
131.28851	0.3
145.06587	0.3
145.10214	1.6
147.08145	1.2
155.08650	0.5
157.06589	2.4
161.04521	1.3
173.09666	2.6
179.05602	0.3
185.75690	0.3
189.09164	0.5
191.10773	100.0
192.11087	4.3
217.08757	0.4
246.81854	0.3
288.16556	0.3
332.51099	0.3
405.88931	0.3
413.17984	0.5
413.27353	0.5
414.19202	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	413.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.4
59.01383	26.3
61.98829	58.8
68.26212	2.2
69.03457	4.6
71.01365	7.6
73.02920	2.2
85.02970	4.8
87.00861	5.6
89.02424	4.6
93.03435	19.5
96.96005	3.2
97.02978	2.4
99.92588	5.0
100.93372	2.7
101.02441	4.5
108.04540	2.8
109.02949	2.0
113.02454	7.0
115.92078	5.2
116.92867	32.6
119.04996	4.1
124.66130	2.5
134.03687	2.0
135.04541	11.9
137.02457	30.7
137.03467	3.6
138.02765	2.5
144.04521	3.1
144.40036	2.0
147.03616	2.0
151.04065	2.7
151.73151	2.0
161.02452	2.6
163.04005	8.5
169.08701	100.0
170.09055	4.3
179.03419	5.1
179.05606	2.2
186.01666	2.1
188.03503	6.2
189.05472	3.7
191.03534	2.2
191.05576	8.2
191.07155	5.8
210.11342	3.4
214.93007	2.6
220.13438	5.5
248.12984	11.3
251.09062	3.1
266.13965	15.9
282.17700	2.3
310.15118	2.4
352.17627	32.3
353.18030	2.6
375.07230	12.5
375.12766	9.8
377.06665	2.2
377.14386	3.3
413.00766	2.6
413.11621	6.2
413.19867	5.1
414.14444	2.2
414.19202	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19869	0.6
59.01377	100.0
60.01731	1.0
68.04343	0.6
69.21413	3.3
71.01382	2.0
74.21274	0.6
79.83343	0.6
85.03004	0.8
89.02497	0.6
91.82449	0.5
95.35052	0.6
97.77802	0.6
101.02409	1.0
113.02459	1.2
126.71142	0.6
130.08774	1.4
152.99611	0.7
178.76077	0.6
218.11653	0.7
414.13477	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03446	0.7
59.01379	100.0
60.01720	0.8
61.98835	0.5
66.61284	0.2
69.03451	0.2
69.82271	0.6
69.82611	0.3
71.01382	6.5
73.02940	2.0
74.46544	0.3
75.00866	0.4
75.97633	0.3
83.01396	1.1
84.95130	0.4
85.02951	3.8
87.00891	0.7
89.02471	1.1
91.54246	0.3
95.01394	0.4
96.96024	0.4
97.02967	0.5
99.00901	0.8
99.07666	0.3
101.02445	3.9
111.00928	0.3
112.01685	0.4
113.02462	2.7
116.92909	0.3
119.03513	0.4
122.03732	0.4
125.02448	0.3
134.03653	0.3
135.04543	0.6
141.03943	0.3
144.00645	0.3
161.02481	0.5
161.04532	1.4
173.06020	0.3
176.08591	0.3
177.09140	0.3
185.71634	0.3
194.09552	1.2
207.10384	0.4
209.11884	1.7
209.15433	1.4
232.09692	0.3
273.13916	0.2
277.54492	0.3
338.13821	0.6
353.16043	6.4
353.19955	1.2
354.16556	0.8
371.17065	1.2
371.20950	4.3
372.17136	0.3
372.21402	0.5
399.17020	0.6
413.22540	0.4
414.19229	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03452	0.3
59.01377	100.0
60.01717	0.9
69.09967	1.1
71.01379	2.9
73.02944	1.4
83.01417	0.4
85.02939	1.0
89.02445	1.8
94.07027	0.2
95.01381	0.3
96.03614	0.2
98.22715	0.3
99.00914	0.3
101.02438	2.3
102.62441	0.2
113.02441	1.7
115.42430	0.2
119.03543	0.7
143.03516	0.2
148.02438	0.2
159.03030	0.3
161.04582	0.7
179.05673	0.4
217.97473	0.2
272.78314	0.2
344.47272	0.2
353.19681	0.2
371.20602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	0.7
61.14669	0.2
61.81874	0.2
61.98834	1.8
62.25586	0.2
67.13802	0.2
69.20661	0.9
71.01381	1.6
73.02948	0.7
78.95953	0.2
79.31727	0.2
83.01360	0.3
85.02969	0.7
88.79368	0.2
89.02436	1.0
101.02445	1.0
113.02450	1.2
119.03551	0.4
130.08748	0.4
131.03560	0.2
137.06104	0.3
152.99617	0.6
161.04558	0.6
214.88684	0.2
226.03490	0.2
299.11349	0.3
414.13654	0.4
414.18805	0.3
427.80719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47018	0.6
59.01376	100.0
60.01706	1.1
61.98831	1.6
70.90182	0.5
71.01376	6.6
72.38993	0.6
73.02951	2.4
81.19544	0.5
83.01372	1.1
85.02969	2.3
89.02453	2.4
101.02457	4.0
104.81251	0.6
107.58782	0.6
113.02449	3.2
130.08736	0.7
137.06105	0.6
138.01997	1.9
149.67645	0.8
151.27266	0.6
161.04573	2.5
173.04558	1.0
191.05544	0.7
209.15489	1.0
211.62036	0.6
314.05740	0.7
353.19479	1.2
371.20670	5.0
390.22345	0.7
396.21802	0.8
406.72131	0.7
413.22000	1.3
414.19269	7.1
432.67426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27700	0.5
59.01376	100.0
60.01705	1.4
61.98834	3.8
62.29145	0.5
69.35647	2.6
69.36045	1.3
71.01383	3.1
73.02943	1.3
82.46835	0.6
85.02973	0.9
87.45928	0.6
89.02470	1.3
92.47299	0.6
99.10542	0.5
101.02459	1.4
113.02474	1.4
129.98611	0.6
188.44676	0.6
337.39743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
55.32592	0.2
57.03444	1.0
57.86200	0.3
58.00579	0.3
59.01378	100.0
60.01699	0.9
61.98835	0.4
66.35323	0.3
69.48148	0.5
69.48541	0.5
71.01379	8.1
71.01779	0.4
73.02938	2.5
82.58614	0.3
83.01394	0.9
85.02950	4.0
87.00867	0.4
89.02431	1.8
95.01385	1.0
99.00883	0.9
101.02437	6.2
105.51081	0.3
108.02168	2.9
108.81734	0.3
113.02444	3.5
113.07951	0.3
119.03513	0.7
120.09470	0.3
125.02430	0.3
127.48034	0.3
138.01971	39.3
143.03496	0.4
156.80214	0.3
159.02986	0.6
161.04599	2.7
179.05585	0.4
193.34834	0.3
209.15454	1.2
231.36357	0.3
246.85376	0.3
261.89496	0.3
270.01187	0.3
310.97128	0.3
353.19675	2.3
371.16107	0.4
371.20712	8.8
372.20831	0.6
406.45395	0.3
413.21777	1.0
414.19168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16796	7.0
59.01378	100.0
147.45158	6.4
153.11595	6.9
189.01044	8.0
189.76476	7.5
237.49916	8.0
259.32126	6.6
413.36450	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.22444	0.6
66.53757	0.7
71.38992	0.8
89.61622	0.6
96.48749	0.6
104.48360	0.7
118.37720	0.7
179.51852	0.7
204.33478	0.7
209.59703	0.7
244.98279	0.7
270.94812	0.8
277.97049	0.7
367.07925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02277	0.2
55.01866	0.2
57.03433	0.3
59.01376	35.0
60.01712	2.1
61.01805	0.6
61.98833	0.3
69.03431	0.3
71.01381	2.4
72.01727	0.3
73.02948	1.7
74.03278	0.3
83.01377	0.4
85.02959	0.8
87.00849	0.2
89.02445	0.9
98.22657	0.7
99.00973	0.2
101.02435	2.0
101.28702	0.2
102.02760	0.3
108.02174	7.6
113.02441	1.9
119.03528	0.3
121.02978	0.5
122.02483	0.2
125.02425	0.5
129.06482	0.2
138.01968	100.0
139.02321	2.6
151.02751	0.5
160.04077	0.4
161.04570	0.6
180.03090	0.3
182.68184	0.2
183.22795	0.2
209.15527	0.3
229.03555	0.2
313.56580	0.2
365.08456	0.2
370.13889	0.2
371.20767	0.5
372.21100	0.3
374.83151	0.2
414.18903	0.5
415.12613	0.3
415.23557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39314	4.6
59.01361	5.1
60.10486	5.9
61.98829	7.2
63.05508	4.4
63.74578	4.9
70.31187	6.6
70.31503	6.6
90.17696	6.0
96.96016	23.6
99.92575	100.0
100.93358	6.0
115.92093	13.8
116.92833	24.5
118.89976	98.3
119.90732	15.0
123.32841	5.4
134.89503	44.2
135.90240	29.2
138.31415	4.9
152.99506	6.2
342.12973	12.9
360.13828	24.0
361.14029	5.2
378.15027	66.0
379.14886	9.9
401.94846	6.1
414.12662	46.6
414.19122	55.6
415.12823	6.5
432.23672	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	414.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.7
55.03832	1.2
59.01373	18.1
59.79922	1.4
65.85522	1.2
67.59527	1.3
71.01375	2.9
71.08973	1.5
73.02924	4.5
75.08611	1.5
75.65316	1.2
83.05020	2.1
88.04046	2.8
89.02453	1.6
101.02440	3.0
101.47742	1.4
107.08694	1.5
107.44780	1.5
109.02914	1.5
111.00896	1.4
112.01640	1.6
113.02478	3.4
125.02458	2.5
149.06099	1.6
159.19928	1.6
165.03801	3.4
212.05051	1.3
254.11777	2.2
256.13782	1.5
338.17575	2.3
355.17981	2.1
399.16888	5.1
414.19232	100.0
415.19586	7.7
415.24213	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	414.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
56.06869	0.3
57.03454	2.4
59.01350	0.4
61.98822	1.2
64.76223	0.3
65.83555	0.3
69.03443	0.5
69.60429	0.7
70.80153	0.3
72.72997	0.3
73.02949	2.7
75.28823	0.3
81.82697	0.3
82.03001	0.3
84.04555	1.9
85.02945	6.0
93.51000	0.3
97.02925	0.4
109.02953	1.7
110.03732	1.2
113.02447	22.6
114.02795	0.4
121.06596	0.4
122.03738	2.5
123.04551	2.1
125.02442	0.6
135.04510	0.7
137.02393	0.7
138.03218	3.1
139.03999	0.9
142.02727	0.4
149.02287	0.4
149.06120	0.9
154.25941	0.3
159.04497	0.4
160.07664	0.5
166.02704	0.3
170.25383	0.3
171.10275	0.5
173.04738	0.5
173.06140	0.6
174.05525	0.5
174.09256	0.5
175.07634	1.4
176.07190	0.5
184.07779	0.4
186.09206	0.6
187.06253	0.4
187.07639	0.8
188.07137	1.8
189.07852	0.3
192.06497	0.4
198.09224	0.5
200.07130	0.7
202.08687	0.4
210.05498	0.3
212.07123	0.5
212.10822	0.6
214.08652	0.5
214.12434	0.5
215.07213	0.5
215.09386	0.4
216.10298	0.4
222.09259	0.4
224.10767	0.4
225.07913	0.4
226.08685	0.8
227.09525	0.6
228.10281	1.2
229.08667	0.5
240.10326	1.5
252.14035	0.7
254.11871	0.8
255.12619	0.4
256.09921	1.6
256.13351	1.0
266.11688	0.7
268.13480	0.4
270.11829	0.4
270.14917	1.4
282.11450	0.4
284.12949	0.8
296.13135	1.5
296.16165	0.4
300.12372	5.8
301.12698	0.4
308.16690	2.4
310.10861	0.4
314.14008	6.4
315.14246	0.8
324.15909	0.4
326.17450	0.6
352.15378	1.9
370.16580	2.7
386.16104	0.6
396.14548	5.0
397.14517	0.6
414.15521	100.0
415.10318	0.6
415.15872	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	414.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68536	0.4
55.01871	1.7
57.01886	0.4
60.54052	0.3
61.98811	0.4
73.02937	1.6
79.86626	0.4
80.10489	0.3
98.21851	0.3
109.02982	0.4
111.00880	0.7
112.01660	1.1
113.02422	0.5
120.31841	0.4
125.02434	2.4
127.03998	0.8
137.02458	0.6
138.03229	0.9
139.00368	1.6
139.03995	1.0
140.01164	0.7
144.00623	0.5
145.06599	0.4
157.49068	0.3
161.06229	0.4
168.00775	0.3
172.07620	0.4
173.06010	0.9
175.07642	0.9
187.07695	1.0
199.07671	1.2
200.08586	0.5
200.10831	0.9
201.09204	1.5
203.10823	0.5
211.09946	0.4
212.10692	0.4
213.09171	0.6
214.08742	1.0
214.12189	0.4
215.10831	0.4
216.10268	1.0
226.12314	0.7
228.10307	1.5
232.09848	0.8
240.10310	0.5
240.14027	0.5
244.09712	0.4
254.11868	1.9
256.13492	1.4
260.09149	0.5
268.13403	0.6
269.14081	0.8
282.14868	1.8
284.12741	0.7
294.18430	0.6
296.13446	0.4
296.16583	1.6
296.78104	0.4
298.14285	0.5
300.12442	2.1
300.15768	0.4
301.12915	0.5
310.18143	0.4
311.18915	0.9
326.13971	0.8
327.14661	0.8
328.15546	0.5
338.17462	1.4
340.15302	2.0
354.16956	0.8
355.17792	2.4
370.20435	0.9
387.16629	0.4
399.16803	5.2
400.16977	0.6
414.19214	100.0
415.19586	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	414.1919
Annotation	Haplotubine
Peak:m/z	Relative Intensity
55.01878	2.5
61.98836	2.4
69.74178	1.8
70.01221	0.4
73.02943	3.9
73.51559	0.5
74.34936	0.5
94.69392	0.6
95.01368	1.5
96.02154	0.5
96.95995	0.5
97.54033	0.5
99.92605	0.5
109.02939	0.8
109.06599	0.7
111.00848	1.4
112.01678	0.7
113.02440	1.2
120.89689	0.6
121.02911	0.7
122.03742	2.9
124.01664	4.2
125.02448	1.8
127.04011	1.7
130.17331	0.6
138.03188	0.8
139.00349	3.6
139.03989	3.4
140.01141	0.8
150.03214	5.7
151.03996	1.9
152.04741	1.0
160.84229	0.5
167.03482	1.9
173.86241	0.5
212.10895	0.7
214.12416	0.9
228.10565	0.6
240.13928	0.7
260.16516	16.9
261.16861	1.2
268.13455	0.7
273.31433	0.5
282.14981	0.7
284.12872	0.7
297.34341	0.5
314.17545	0.8
319.89401	0.6
326.14157	0.7
368.47424	0.5
370.20227	1.7
399.16678	0.8
414.19193	100.0
415.14847	0.9
415.19659	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	414.1942
Annotation	Miyaconitine
Peak:m/z	Relative Intensity
57.03446	12.3
59.01381	2.2
61.01020	5.8
61.98829	100.0
66.21851	0.6
69.51122	1.3
69.51526	2.5
71.01391	1.4
85.02957	4.5
87.00884	5.3
88.03986	0.7
93.03464	4.1
93.03948	0.7
94.03804	1.1
95.85299	0.8
97.02985	1.3
98.22565	1.4
99.92590	1.2
100.92627	1.2
100.93360	1.1
101.02428	1.1
109.02939	0.8
113.02464	3.5
115.92104	1.2
116.92081	1.5
116.92854	10.8
117.92863	8.6
118.92657	1.1
121.02982	1.6
129.68394	0.8
136.07762	0.8
137.02446	4.9
137.03563	5.5
138.02805	3.1
138.03947	2.7
138.05603	0.8
139.04008	26.4
146.99940	0.7
153.01941	1.1
162.09236	1.2
169.08702	5.0
170.09094	2.6
190.12471	1.0
194.11833	1.5
195.66003	0.7
218.11987	1.3
220.13399	7.6
221.13799	1.2
234.11165	0.9
237.09781	3.8
248.12863	4.2
266.14142	1.0
280.43945	0.8
292.13638	1.3
301.09399	3.2
310.14673	10.9
352.17841	0.9
353.18100	1.5
360.16156	2.2
371.14639	0.8
371.18982	4.2
378.17252	11.9
379.17676	1.5
396.18353	17.6
397.18576	1.8
414.19400	98.4
415.13895	0.9
415.19739	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	414.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.3
59.01381	50.4
61.98822	4.9
69.29475	15.2
71.01382	15.1
73.02956	7.4
84.00687	2.5
85.02939	7.9
89.02438	14.9
89.19625	2.6
101.02438	12.2
107.55608	3.0
113.02436	12.8
119.03502	5.6
130.08780	4.8
146.06087	5.4
146.11867	3.1
161.04597	5.2
191.05605	10.0
214.08786	3.2
299.11359	4.9
300.11795	10.4
355.17865	3.6
399.16849	5.0
414.19220	100.0
414.28195	8.7
415.19513	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40259	3.8
59.01378	100.0
61.98840	4.3
69.46996	8.9
69.47385	8.3
71.01378	58.2
71.41110	3.7
73.02946	17.7
83.01392	7.4
85.02926	23.9
89.02441	40.9
99.00877	6.8
101.02435	38.5
106.91347	3.3
113.02436	23.7
119.03499	12.8
119.04844	3.3
152.03081	3.6
159.03021	5.5
161.04581	21.0
165.18347	3.4
170.55504	3.8
173.04553	5.6
179.05536	4.2
185.50117	4.1
191.05673	6.8
224.81923	3.9
251.92586	3.7
414.19342	29.4
415.19324	12.9
415.23471	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	414.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	42.0
60.34224	9.2
69.46612	21.5
69.47004	20.8
71.01353	25.1
92.00182	10.2
101.02441	14.9
109.44428	10.7
113.02405	35.2
119.73343	11.0
129.09256	10.2
131.03490	39.7
134.73715	11.2
137.02451	100.0
138.02739	55.7
163.98903	11.1
197.20644	10.7
233.54469	12.1
299.07825	12.5
300.08078	27.7
410.42313	11.3
414.19110	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	414.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30734	0.8
59.01374	4.2
64.95827	1.1
69.92281	2.0
69.92641	1.4
79.14087	1.0
85.02937	2.2
87.04491	1.3
90.97150	1.5
98.22579	1.6
118.96586	1.3
130.08728	4.3
132.98216	8.5
138.73882	1.3
140.73993	1.0
146.10754	1.1
158.98531	1.0
158.99777	4.6
160.97690	8.1
170.99803	1.3
174.99200	7.4
186.99245	7.8
198.99228	2.3
201.00826	100.0
202.01193	2.8
203.02396	33.3
206.94946	1.3
213.00803	6.3
214.98746	3.0
226.98799	1.4
248.96072	6.0
256.99796	79.9
258.00104	3.4
272.09824	1.3
273.10156	1.3
274.97626	7.2
276.95370	1.1
284.96014	1.9
290.97104	3.8
312.95374	2.0
316.98590	19.1
318.96634	4.3
319.00150	1.7
326.96964	6.5
344.98233	1.5
354.96548	51.7
358.99680	13.4
361.01428	11.0
370.99622	1.8
378.98215	1.4
396.97589	1.7
414.19113	3.4
414.98749	28.6
415.19583	2.2
415.98770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
57.03728	0.6
58.92513	0.8
59.01381	4.9
60.98645	0.6
61.98827	3.6
69.03438	1.4
71.01369	5.5
73.04072	0.9
78.95900	0.9
81.03454	4.5
83.01392	2.9
84.00906	0.6
85.02938	2.4
88.04033	3.0
89.02431	1.7
89.04330	1.0
90.28753	0.7
93.03465	1.1
96.00900	2.1
98.02473	1.4
99.00876	1.4
99.04499	0.9
100.35115	0.8
101.02435	2.1
109.02941	1.4
109.06580	0.8
110.02462	0.8
111.00845	0.9
113.02437	6.7
121.03014	0.7
123.04520	34.8
125.02423	4.7
130.08719	5.1
131.01340	0.6
135.04497	1.2
137.02415	3.8
138.02861	0.9
139.02960	1.2
139.04013	2.1
149.02415	1.8
151.00357	1.2
151.03996	1.5
152.99585	0.9
161.04518	2.2
163.03983	1.4
165.05518	1.0
167.03482	100.0
167.56389	0.7
168.03868	3.7
168.09007	0.8
179.03468	2.1
181.05078	3.0
187.10933	0.8
191.03511	20.1
191.05540	3.0
193.05034	1.0
209.04510	10.3
221.04543	2.9
263.11386	2.5
265.12866	1.6
371.09735	11.1
372.10220	1.3
380.18234	5.2
397.20844	3.0
414.19348	1.3
414.23993	1.3
414.28763	1.0
415.19382	2.1
416.20914	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	415.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26339	0.2
61.98827	100.0
63.11828	0.2
67.41014	0.2
88.65098	0.2
146.06143	2.4
146.48494	0.2
173.66280	0.3
183.55374	0.2
190.05109	0.4
352.10416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.98821	1.1
67.01881	0.3
69.03431	0.6
69.60134	1.2
70.46629	0.3
71.01377	1.7
73.02937	0.6
74.02472	1.0
85.02959	1.1
88.66678	0.3
89.02446	1.0
91.90878	0.3
93.03455	6.0
94.03770	0.4
98.22591	0.4
99.92576	0.9
100.93353	0.4
101.02426	1.2
101.26264	0.4
108.02135	1.8
109.02948	8.7
113.02453	3.9
115.92030	0.6
116.92088	0.5
116.92866	3.8
117.92868	1.9
118.92613	2.5
118.93413	0.5
119.03487	0.5
121.02944	5.7
137.02437	1.7
137.06151	0.5
139.04008	100.0
140.04358	3.2
152.01172	0.7
153.00665	0.6
153.01930	13.1
154.02312	0.3
161.04559	0.8
165.02010	0.5
167.03493	1.4
179.05579	0.5
191.05544	0.5
253.10840	0.5
263.11395	0.7
301.09259	12.6
302.09430	0.9
371.13589	0.4
415.12805	1.9
415.19052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49062	0.2
59.01381	1.2
59.01632	0.2
69.82352	0.7
71.01382	0.9
74.02472	0.6
89.02438	0.6
91.25721	0.2
93.03452	3.7
101.02423	0.6
108.02188	0.5
109.02955	0.5
113.02464	1.2
119.03503	0.3
121.02953	5.7
122.06145	0.6
124.52164	0.2
131.37520	0.2
138.90425	0.2
139.04010	100.0
140.04326	2.9
152.01160	0.5
153.01859	0.2
161.04572	0.6
167.03488	0.3
179.05609	0.4
211.32632	0.2
263.11282	0.2
301.09265	13.4
302.09598	0.9
342.43918	0.2
377.70041	0.2
414.34488	0.2
415.13010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31910	0.2
52.82914	0.2
59.01357	0.4
61.98816	0.5
62.37593	0.2
67.21484	0.2
79.95728	0.7
80.96503	0.4
95.95225	0.3
96.96004	5.3
111.53551	0.2
113.02384	0.4
125.42382	0.2
145.91109	0.2
159.12126	0.2
163.67552	0.2
183.23990	0.2
191.05534	0.3
241.90753	0.2
339.18057	0.5
397.17078	1.1
415.17932	100.0
416.18204	9.8
416.26578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.5
60.21901	0.2
61.98832	0.3
70.29238	0.5
79.95736	0.9
80.96516	0.2
90.45715	0.2
96.96010	4.9
106.82908	0.2
165.62869	0.2
174.30882	0.2
191.05600	0.4
233.47861	0.2
236.54251	0.2
279.90512	0.2
339.17889	0.5
397.16864	0.9
415.17941	100.0
416.18216	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	415.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
69.61419	3.6
78.37656	0.8
92.85656	0.9
93.16035	0.9
95.52392	0.9
109.02911	1.2
110.03735	1.5
121.71841	1.0
123.00968	1.1
137.02473	1.3
138.03212	4.8
142.02814	0.9
147.65167	0.9
147.89398	0.9
166.02658	3.4
179.03526	5.4
180.04179	1.8
193.05049	2.7
241.84576	0.9
305.21243	4.9
333.20700	100.0
334.21045	10.6
377.76266	1.0
416.12979	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	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66657	0.5
55.67702	0.4
59.01381	0.6
61.98833	0.6
69.05241	2.6
74.99094	7.0
77.00663	76.9
78.00994	0.7
99.04502	0.6
112.63648	0.5
121.00132	0.5
147.08141	1.3
149.09715	1.3
161.09718	0.7
163.11288	1.9
187.11293	1.9
279.13916	0.9
280.14633	0.9
309.22141	2.1
316.48029	0.5
322.19324	0.9
337.21710	100.0
338.22061	11.7
415.23114	18.9
415.28876	0.7
416.23395	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	0.8
69.31587	0.8
71.01379	2.5
73.02947	0.9
83.01411	0.7
85.02952	1.4
89.02465	0.9
91.20932	0.2
91.73025	0.2
93.79817	0.3
99.00903	0.3
101.02456	2.4
113.02460	1.6
119.03572	0.2
161.04556	1.1
175.37863	0.2
320.16641	0.2
373.22211	2.8
415.23434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01378	100.0
60.01715	1.4
61.01833	0.5
69.03435	0.4
69.43273	0.4
71.01384	5.7
72.54557	0.4
73.02948	1.2
83.01421	0.6
85.02947	2.9
89.02448	3.4
101.02424	2.9
113.02435	3.7
113.06127	0.5
119.03514	0.9
139.03969	0.9
143.03535	0.5
160.91512	0.4
161.04585	1.9
173.04684	0.5
191.05656	0.8
244.28215	0.4
373.21985	0.7
415.19522	1.0
415.24078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	1.3
59.01377	8.1
66.03461	0.7
68.64884	0.4
69.28968	0.9
69.29372	1.5
71.01392	0.8
73.02950	0.5
79.30678	0.5
82.02969	0.7
82.06618	2.3
83.02490	0.5
83.27705	0.4
84.00908	0.6
84.04529	0.9
84.08187	0.7
85.02980	0.6
85.04078	5.5
86.75536	0.4
87.05642	3.7
89.02448	0.5
91.05524	2.5
97.04047	1.4
98.06113	0.7
99.05639	0.8
101.02422	0.8
101.07203	7.3
102.05603	2.5
109.04105	0.6
111.05634	1.7
112.02789	7.0
113.03576	8.3
115.08754	0.9
120.45957	0.5
123.05649	1.5
124.02790	1.2
125.03568	2.7
125.07214	0.5
126.04282	0.6
126.09238	1.9
126.30685	0.4
127.05144	2.3
131.05028	0.6
131.23430	0.4
139.05197	0.5
140.05864	1.1
140.08232	0.5
141.06708	22.5
141.10333	2.6
142.06763	0.5
143.11890	14.8
144.12189	0.5
146.06113	3.2
147.04446	0.6
152.08307	0.7
153.10345	1.1
156.07773	6.9
158.06084	1.3
159.07748	1.0
160.07646	3.4
161.04498	0.8
162.09279	0.8
166.06149	0.7
166.08673	0.5
167.04556	1.5
167.11829	0.6
168.09093	0.6
169.09825	6.9
169.13475	1.6
172.10893	4.3
177.10318	0.8
180.11453	0.6
181.09880	1.1
182.10594	0.9
185.07239	0.5
186.05609	5.6
187.06157	0.8
188.07095	0.5
194.12997	1.5
195.13773	0.9
197.12889	3.4
200.14134	0.6
201.06757	0.7
201.10324	4.9
202.10689	0.5
203.08261	1.5
209.10510	0.5
210.16103	1.2
214.12383	0.5
216.13876	1.0
217.09816	9.8
228.17162	24.0
229.17447	0.6
242.11888	1.5
245.09224	1.3
248.14027	3.6
249.13547	0.9
254.15079	0.6
254.66333	0.4
255.15138	2.0
265.16681	5.4
271.10892	9.4
272.11087	0.5
273.16095	10.6
274.16507	0.8
279.18195	1.9
301.16660	1.2
310.15536	0.6
312.17090	0.6
341.19864	3.0
341.23398	0.6
356.22107	0.5
371.24515	7.7
372.24704	1.0
373.22064	1.0
383.62350	0.4
415.23489	100.0
416.23822	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3061
Annotation	oscr#30
Peak:m/z	Relative Intensity
50.71313	0.9
58.67724	0.8
59.01363	2.0
59.37194	0.9
66.92786	0.8
69.68037	1.9
71.36146	0.9
77.00668	1.5
89.02435	1.0
91.04002	2.0
93.06581	0.8
127.22303	0.9
153.64523	0.9
167.38719	1.0
203.56641	0.9
251.23848	1.0
279.26907	100.0
280.27264	6.9
297.27914	2.2
323.25903	52.7
324.26157	4.6
337.21716	2.3
341.26932	94.9
342.27316	6.9
407.24161	1.0
415.30630	66.9
416.31186	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	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01384	1.9
61.58656	0.3
61.98795	0.4
69.03445	0.5
69.94912	0.3
70.44260	0.7
71.01360	0.5
71.05045	0.3
75.91261	0.3
77.00669	0.6
83.04987	0.5
89.02442	0.8
91.03987	1.2
94.44535	0.4
96.96018	0.7
99.92590	1.3
100.92589	0.5
108.14671	0.4
116.15623	0.4
116.92872	0.4
118.89968	1.2
119.89994	0.7
120.89707	0.6
125.24289	0.3
197.51895	0.3
251.23682	0.6
263.23618	0.3
277.25354	1.4
279.26910	98.8
280.27255	7.7
297.27890	2.3
323.25891	50.3
324.26212	3.7
337.21817	0.4
341.26929	100.0
342.27258	9.4
415.12921	2.0
415.30618	64.7
416.12650	0.8
416.30951	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	415.3063
Annotation	oscr#30
Peak:m/z	Relative Intensity
50.02991	0.1
57.03442	0.9
59.01378	1.5
69.03448	0.2
69.79324	0.3
71.01371	0.3
71.04993	0.1
80.02662	0.2
81.03432	0.1
83.05029	0.3
89.02440	0.6
91.03996	1.3
98.21914	0.2
103.50703	0.1
227.87108	0.1
251.23773	0.7
277.25327	1.5
278.25742	0.1
279.26904	100.0
280.27255	8.6
297.27994	2.1
298.28162	0.2
323.25885	50.2
324.26202	4.6
341.26926	98.8
342.27289	9.0
415.30606	60.9
416.30960	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	415.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01366	1.9
62.84191	0.2
69.03454	0.3
70.73564	0.4
71.01395	0.4
71.05019	0.3
78.91821	0.2
89.02452	0.7
91.03998	1.6
96.95972	1.2
99.92543	0.3
180.18646	0.2
192.95845	0.3
224.04758	0.3
251.23679	0.7
253.25557	0.3
277.25397	1.4
279.26926	96.5
280.27280	6.9
281.24844	0.4
295.26355	1.7
297.27975	9.0
297.31238	0.6
298.28317	0.7
323.25906	58.6
324.26208	4.7
341.26947	100.0
342.27319	9.2
393.57898	0.3
415.30634	67.2
416.30978	7.0
416.36276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43443	1.5
59.01377	100.0
70.67580	2.8
70.72782	1.6
82.67599	1.5
85.18668	1.3
105.42893	1.4
127.30614	1.7
133.40352	1.5
147.95683	1.4
154.28133	1.6
263.82526	1.6
333.20706	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
61.98827	11.5
62.34643	0.4
68.78447	0.4
69.00076	0.4
71.01361	0.6
85.02946	4.6
87.00864	0.9
91.92113	0.4
93.03451	1.3
97.54612	0.5
99.16296	0.5
109.02924	0.4
111.04511	0.5
125.82380	0.5
127.03970	1.1
135.04543	0.7
146.93962	0.5
148.13643	0.4
161.02458	1.8
179.03471	0.9
191.05600	100.0
192.05940	3.0
221.46228	0.5
229.01137	0.6
303.42245	0.5
353.08734	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	416.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98825	11.6
69.63828	0.9
69.64211	1.0
85.02942	3.6
86.31245	0.5
87.00868	0.7
93.03459	1.2
116.84842	0.5
127.03992	1.3
135.04509	0.5
141.94133	0.5
161.02426	1.6
173.04488	0.8
179.03510	0.8
179.05643	0.4
183.71191	0.5
191.05600	100.0
192.05952	3.5
353.08783	12.5
354.09003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34663	2.2
55.01870	2.1
57.03448	5.3
59.01380	41.0
61.98829	35.3
67.01893	6.7
69.03464	2.2
71.01381	30.5
73.02943	13.4
74.02474	2.7
75.00893	3.5
76.85982	1.8
83.01356	3.5
84.68415	1.8
85.02945	20.1
86.04054	1.9
87.00896	5.7
89.02437	25.4
93.03467	39.6
99.00891	3.4
101.02457	15.2
109.02936	3.7
111.00873	3.0
111.04527	8.7
113.02444	13.9
115.04029	3.2
115.92012	1.9
119.03492	6.3
121.02972	5.7
122.06155	2.7
123.04507	6.2
133.02948	2.7
133.05093	15.7
134.03770	3.3
135.04529	66.9
136.04788	3.0
137.02472	11.0
139.04015	70.1
141.03049	2.0
142.98172	1.8
152.01080	3.0
153.01787	3.1
155.03523	7.8
159.03004	3.3
161.02441	2.6
161.04550	6.3
167.03503	8.4
173.04549	100.0
174.04884	6.0
179.03487	68.4
180.03828	2.9
191.05603	58.1
223.13490	2.0
224.10994	2.0
249.06201	4.7
255.08768	2.3
267.07065	2.2
283.08179	3.0
301.09418	10.1
303.08127	2.1
353.08755	81.6
354.09103	5.9
373.10736	2.1
416.12051	3.9
416.19138	50.0
416.23874	3.6
417.09647	3.9
417.14319	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	416.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	48.2
69.41377	8.3
71.01379	3.0
72.32229	1.7
74.09145	2.0
83.01341	1.7
83.68587	1.9
104.03543	2.1
109.02943	5.1
113.08870	1.8
123.00885	4.3
124.01598	2.2
125.02419	2.0
127.03977	3.7
130.38876	1.9
137.02466	13.4
138.03183	3.0
139.03952	2.7
151.00349	23.3
151.03983	3.5
152.01161	10.6
152.04752	2.0
153.01929	5.4
156.22128	2.2
161.02438	2.9
161.13354	8.7
166.02724	43.6
167.03456	9.1
168.04227	2.9
175.04036	2.4
176.01123	4.8
177.01878	6.9
178.02548	2.3
179.03470	2.7
181.05066	79.1
191.03423	4.0
191.05647	2.0
192.04253	8.4
193.04985	1.9
205.05074	2.1
205.08633	2.1
205.12329	39.2
207.06601	8.8
219.06664	3.9
220.07315	2.5
223.06146	4.1
223.13414	2.1
249.11284	5.9
309.13446	5.7
327.21579	2.2
334.62274	2.2
354.20889	2.8
362.96402	2.2
371.15106	2.0
387.10916	10.5
402.13141	8.3
416.20215	8.0
416.25372	2.2
417.15784	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
58.00571	0.9
59.01378	100.0
60.01702	0.9
68.57110	0.7
69.03459	5.0
69.25373	4.0
70.74744	0.7
71.01379	34.0
73.02952	2.7
74.02466	1.7
81.03455	19.2
83.01422	0.8
85.02952	7.0
87.00898	2.5
89.02444	47.3
93.03468	1.8
95.01398	2.5
101.02441	18.3
109.02969	1.5
113.02450	23.8
114.02821	0.9
117.05649	0.9
119.03501	18.6
122.06120	39.2
123.04577	0.8
123.06512	0.9
125.02449	42.3
131.03519	2.6
137.02469	1.0
138.02763	0.9
139.04019	5.3
140.04362	3.6
140.07214	1.3
143.03511	4.8
149.04602	1.9
151.07657	2.8
152.01221	0.8
153.01944	1.3
161.04562	11.3
167.03378	1.0
173.04591	1.1
179.05615	28.3
191.05588	3.5
195.06583	8.9
195.07968	0.7
196.30328	0.7
196.40395	0.9
250.76361	0.8
302.09509	1.9
357.11761	4.5
357.15823	1.0
409.87881	0.8
416.12402	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	416.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.6
69.30477	14.4
69.45129	3.0
71.01389	26.0
73.02936	10.8
85.02973	13.3
89.02463	8.2
93.03448	8.4
96.61028	2.8
98.22543	5.5
101.02457	19.2
104.82727	3.0
106.59888	2.6
113.02428	16.2
113.64715	2.8
116.55446	3.0
119.03456	3.2
121.02948	9.1
139.04008	100.0
140.03352	5.6
140.04350	59.6
140.05373	5.6
141.04625	2.8
161.04529	16.1
186.68034	2.9
227.12210	2.7
271.79190	2.8
301.09311	7.5
302.09653	14.9
347.10513	3.0
372.18985	3.7
373.15060	31.1
416.13019	5.4
422.73605	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	416.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20698	1.0
57.81893	1.0
59.01365	4.8
61.98827	100.0
68.95158	1.2
85.02927	1.2
85.63663	1.1
89.02438	1.4
95.34442	1.0
98.21773	2.5
101.02399	1.6
108.02183	1.2
119.03500	1.2
135.28178	1.0
138.01965	5.1
139.02309	3.4
140.02429	1.4
150.03223	1.7
165.05560	1.3
166.02753	2.4
181.05037	3.3
191.05637	7.1
208.03729	1.7
223.06079	3.9
293.35699	1.0
327.12534	2.2
373.17398	1.2
416.18723	4.6
417.16107	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	416.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09209	0.5
59.01375	2.0
61.43146	0.6
61.98827	100.0
63.05457	0.6
67.00014	0.5
69.25851	2.4
71.01384	1.2
73.02947	0.6
83.05054	0.5
85.02937	0.6
93.03459	1.0
94.19412	0.5
101.02476	1.0
108.22438	0.5
109.02937	0.6
112.04091	0.7
113.02471	0.7
116.07285	0.6
140.07208	2.8
146.06100	0.7
191.05650	4.4
201.11411	2.3
202.11722	1.3
211.05363	0.6
229.14464	0.6
282.00925	0.5
293.52777	0.6
373.18710	1.0
380.18338	0.6
403.29630	0.6
416.20395	2.7
417.20972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1712
Annotation	Tirandamycin A
Peak:m/z	Relative Intensity
55.01874	1.6
57.03447	2.2
59.01381	2.3
61.98821	0.7
69.03448	0.9
69.35693	1.0
69.36098	1.5
69.68841	0.5
71.05013	0.6
73.02941	3.8
73.21220	0.5
81.15388	0.4
84.04547	3.0
85.02949	4.3
97.02946	1.1
98.03271	0.5
110.06124	1.1
113.02446	17.1
119.05013	1.0
120.08203	0.4
121.02914	0.7
121.06572	1.2
123.04553	0.6
125.02450	5.7
127.04008	0.5
138.03221	1.9
139.00356	0.7
139.04016	2.3
145.02939	0.5
157.06502	0.5
160.07640	0.5
162.06967	0.5
163.07623	0.8
167.03484	1.5
168.04214	0.8
172.07617	0.7
174.06879	0.5
174.09267	0.4
175.07634	10.2
175.56145	0.4
175.92842	0.5
177.07852	0.8
177.09244	0.7
177.88509	0.4
178.08698	0.7
187.07681	0.9
187.11330	0.5
190.08737	0.6
200.10768	0.6
201.38925	0.4
202.08730	1.4
204.10336	0.6
212.10803	0.6
216.10204	0.6
216.13994	0.5
217.11032	0.4
217.27159	0.4
218.11876	0.8
228.10374	1.3
229.11105	1.0
230.11801	2.0
240.10316	0.9
242.11885	2.1
254.15427	2.5
256.13162	0.5
268.13342	0.5
272.16550	0.9
298.14560	1.3
300.12524	0.7
302.14041	2.3
310.18140	2.5
311.18375	0.6
316.15485	3.8
354.17130	4.0
355.17477	0.8
372.18118	6.4
373.18607	0.6
416.17117	100.0
417.12122	0.8
417.17462	11.3
419.22815	0.4
435.24527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
69.27370	13.0
71.01376	29.5
73.02942	13.3
74.63897	3.7
83.01365	6.3
85.02943	17.3
89.02448	17.0
93.03455	7.0
96.62856	3.9
101.02425	16.6
113.02449	29.9
113.17743	4.6
119.03511	5.8
135.04482	5.3
161.04517	18.9
173.04469	6.6
181.05086	9.4
191.05611	23.2
201.11290	5.0
253.06848	4.3
279.08780	4.4
297.90738	4.3
335.27728	3.9
416.16623	8.5
417.24771	16.7
425.98505	4.5
436.18436	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	416.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18188	4.7
59.01377	100.0
61.98830	6.6
69.24165	24.7
71.01382	26.0
73.02941	6.9
85.02953	13.3
85.91160	7.5
87.00885	7.0
89.02450	11.3
93.03466	15.8
97.06606	5.8
99.04522	6.9
101.02432	16.9
113.02435	20.6
119.03491	6.3
127.39878	5.4
137.02460	6.8
141.63441	5.4
143.03342	5.6
161.04555	12.8
165.05614	5.6
173.04570	10.3
191.05647	31.4
254.12038	6.5
258.29700	5.7
316.15326	7.5
372.32935	5.4
416.16681	17.6
417.25195	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	416.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	59.5
61.98828	27.7
69.46130	57.9
69.46485	22.8
71.01379	24.0
79.06113	16.5
82.64018	14.4
85.02954	27.9
88.06096	15.3
93.03456	29.6
99.04543	23.8
101.02411	26.9
113.02465	23.7
135.04601	20.7
140.07196	44.7
143.06396	15.2
161.04575	51.3
173.04524	36.8
191.05598	100.0
192.77106	16.4
233.38002	16.8
272.05893	16.0
373.21921	19.4
380.92215	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	416.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	31.5
63.23187	26.2
66.75687	22.2
70.39759	54.7
151.00217	27.2
191.05598	63.1
280.23541	100.0
403.18829	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.8
69.03474	0.8
70.89354	0.8
71.01346	0.7
73.02951	0.8
85.02964	0.8
87.04488	0.7
89.02461	0.8
93.04755	0.7
95.20346	0.6
97.02938	1.4
97.98189	0.6
99.04510	6.8
101.02433	0.7
113.75880	0.6
115.03976	3.6
118.96621	0.9
123.04448	0.7
132.98207	1.1
143.00206	0.8
143.03499	19.8
146.96097	3.6
158.99762	1.1
160.96407	0.9
160.97665	7.5
170.99767	7.2
171.01331	1.4
173.01239	0.7
174.99232	1.7
185.01350	6.8
186.99261	6.6
187.02907	0.6
188.97174	2.1
197.01263	1.3
198.99194	0.9
201.00774	4.3
202.98827	1.3
203.02452	0.9
205.40862	0.7
206.95071	0.7
213.00807	21.2
213.02800	1.3
214.01154	1.0
215.02335	1.0
217.00293	1.4
229.00337	1.3
234.94446	2.0
241.00285	3.5
248.95984	4.3
259.01364	18.7
260.95923	1.1
262.94016	0.8
274.97614	5.5
276.95541	5.7
284.95996	1.2
286.97580	2.4
300.95813	1.2
300.99283	2.1
301.09549	0.8
302.97092	12.5
303.00522	0.5
303.60327	0.7
304.95001	7.2
304.98471	1.2
312.95657	0.6
313.00687	0.7
314.97269	1.1
316.98712	9.3
317.98749	0.7
319.00278	2.5
326.97153	1.2
328.98618	9.7
330.96518	3.7
332.98132	1.5
344.98145	37.6
345.98468	1.5
346.99701	6.4
356.98068	20.3
357.98383	0.7
373.01331	0.8
374.99182	100.0
375.99539	5.1
381.00107	0.6
417.00449	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
52.32912	0.2
57.03431	0.4
59.01380	2.3
61.98824	0.6
67.01886	0.3
69.03419	0.3
69.35218	1.4
73.02918	0.8
85.02932	0.6
89.02459	0.6
93.03476	0.6
95.79333	0.3
98.22565	0.6
101.02424	0.8
107.01382	0.8
107.91209	0.3
109.01637	0.4
109.02960	0.3
113.02431	0.6
115.92062	0.3
117.03433	0.3
119.03478	0.3
135.00871	0.6
146.05994	0.3
151.00381	1.1
153.01845	0.5
161.04581	0.5
163.00368	0.7
165.01877	0.3
169.01373	0.4
171.04523	0.3
181.05167	0.4
183.04477	0.8
185.06021	0.6
191.05537	0.4
201.11263	0.6
211.03955	1.9
212.04601	0.3
213.05463	0.4
227.03490	70.1
228.03850	4.1
229.05013	1.8
239.03587	0.7
255.02969	87.4
256.03552	12.5
257.04495	0.8
284.03253	87.2
285.03925	20.5
286.04413	1.0
327.05057	0.7
343.21164	0.4
417.08249	100.0
418.08588	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	417.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.0
57.03447	4.5
59.01378	60.9
62.36847	1.9
69.03462	3.5
71.01382	27.5
71.40677	2.0
72.99303	8.2
73.02938	3.0
75.00867	18.7
76.39529	2.0
78.22088	2.0
83.01379	3.8
85.02949	25.0
87.00882	7.8
89.01960	2.5
89.02422	13.7
91.01871	10.2
93.03432	2.4
95.01396	7.5
99.00887	11.2
101.02451	3.6
103.00373	2.7
105.07185	2.1
108.02172	6.4
109.02964	6.6
111.00883	2.2
113.02470	23.9
116.92830	2.1
117.01920	2.4
123.00887	3.3
123.04524	43.6
126.60368	2.2
129.01920	4.6
135.04506	2.6
138.03239	4.1
151.00400	3.0
152.01128	3.3
153.01920	5.6
153.05530	2.3
167.03493	81.4
168.00732	2.5
168.03841	2.2
175.02440	2.9
182.05833	6.4
193.05098	4.0
226.04868	4.0
227.05647	4.7
231.05037	4.2
241.07219	7.8
249.06125	41.1
250.06436	2.1
267.07190	22.4
354.09003	4.6
357.08148	3.2
385.07474	2.5
399.09116	11.5
417.10379	100.0
417.17444	17.5
418.10712	4.9
418.18521	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	417.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95306	2.5
52.26608	2.5
53.35019	2.5
55.01875	4.1
57.03457	3.2
59.01377	59.8
61.98825	8.0
69.03442	2.9
70.83569	2.6
71.01378	40.7
71.41560	2.7
72.99314	3.2
73.02946	11.6
75.00896	3.0
83.01389	4.1
85.02941	22.1
87.00857	5.4
89.02439	30.5
93.03457	8.0
96.95997	6.2
101.02436	38.5
105.05564	3.5
111.08173	20.0
113.02443	36.5
119.03492	11.7
121.02950	5.3
123.04502	3.6
125.02418	3.2
133.05055	9.5
137.02429	5.5
139.04008	55.0
141.01897	5.0
143.03465	4.4
153.05586	4.2
155.03516	3.5
155.07114	18.3
161.04582	19.0
167.03455	7.7
173.04501	3.8
177.05344	13.3
179.05568	9.5
191.05554	19.7
192.05965	9.7
197.04514	7.0
237.07579	24.1
249.07443	7.1
255.08688	6.5
267.10843	100.0
268.11209	4.4
291.04846	4.0
304.10287	6.8
318.17044	6.0
361.22635	2.8
381.13754	4.3
417.17767	4.5
418.18649	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	417.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27562	2.1
54.78638	1.8
55.01873	2.1
56.81277	2.1
57.03439	5.3
59.01081	2.4
59.01379	48.4
61.98809	9.9
64.65503	2.2
69.03421	4.1
71.01373	41.1
71.41574	2.3
73.02946	14.4
78.71653	2.1
83.01370	5.3
83.15704	2.1
85.02955	21.7
87.00881	3.7
89.02441	25.2
93.03448	5.4
95.01374	2.8
96.96033	3.8
99.00855	4.0
101.02447	28.7
105.05582	4.5
108.02184	2.1
111.00900	3.6
111.04501	2.7
111.08163	3.0
112.04022	2.6
112.57615	2.1
113.02444	53.8
115.03978	2.5
118.80707	2.0
119.03507	10.8
121.02953	3.1
123.04515	3.4
125.02461	2.8
133.05069	3.2
137.02461	2.7
139.03998	31.0
141.01930	5.7
142.05125	3.6
143.03438	2.8
153.05562	3.2
155.86548	2.2
159.03018	3.5
161.04549	16.6
165.05536	3.2
167.03490	8.1
179.05678	2.9
191.05598	18.1
192.05934	4.4
197.04524	3.9
255.08658	3.4
267.10843	100.0
268.11127	6.2
278.23453	2.1
291.04810	3.6
301.09225	2.6
304.10330	18.3
318.17282	10.0
381.14075	6.6
417.17758	9.0
418.18713	90.6
418.24295	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	417.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50590	0.9
59.01379	7.8
61.98828	48.3
68.99809	10.8
71.01366	5.7
73.02930	1.2
78.30790	0.9
85.02934	2.4
93.03463	2.1
97.03000	1.0
101.02444	4.1
107.01427	0.8
108.02168	17.3
109.02941	2.8
113.02447	1.6
115.01050	1.1
115.11668	0.9
119.03514	1.3
121.02944	3.8
122.03690	1.8
123.00863	3.4
123.04517	18.3
124.75401	1.0
130.45586	1.1
132.02151	1.9
134.03735	2.8
135.04526	4.3
136.01686	1.4
137.02380	1.2
138.03194	3.2
139.03908	1.0
144.55202	0.9
148.01627	1.1
149.02435	21.6
150.03227	11.7
150.81891	0.8
151.03973	2.5
152.01167	4.9
153.01866	0.9
153.05560	1.4
159.02948	1.1
161.02437	2.1
161.04553	1.5
162.03223	8.2
163.04004	11.7
164.03439	1.5
164.04793	25.2
165.01935	2.5
165.05597	4.7
166.02698	1.8
167.03450	1.1
169.05002	2.1
175.03906	1.4
177.01985	0.9
177.05586	11.6
178.02702	20.7
179.03218	1.5
179.07118	9.0
181.05060	2.0
189.05511	1.3
191.05560	2.0
193.01413	20.7
193.05035	46.7
193.08751	1.5
194.05659	3.7
208.03749	47.1
218.05763	1.0
222.05305	2.3
223.06094	100.0
224.06432	5.1
241.74336	0.9
284.02936	1.1
293.83905	0.9
327.12387	3.0
328.09375	1.5
343.11758	13.9
373.12842	5.2
412.71924	1.0
417.11823	8.2
417.17957	2.8
417.25070	1.5
418.12131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98816	1.4
68.99810	4.7
71.01394	0.9
71.05094	1.2
85.02965	0.9
93.03471	1.3
95.01391	1.2
98.39895	0.5
105.03435	0.7
109.02954	1.9
111.00866	0.7
113.02441	1.1
121.02954	1.2
123.00870	5.9
124.01660	0.6
125.02445	3.3
127.05547	0.6
128.72351	0.7
133.02943	1.4
134.03738	57.6
135.04071	1.6
136.01546	0.6
137.02452	6.2
138.03236	10.4
139.00378	0.6
139.04056	3.0
147.00906	1.0
147.04562	0.8
149.02458	1.3
149.06087	15.9
150.03183	0.7
153.05574	12.3
162.03281	0.8
163.00391	0.9
164.04849	0.6
165.01933	5.0
166.02670	0.7
168.04294	1.3
173.04573	0.6
174.03239	2.3
175.00334	4.3
176.01059	1.2
177.01891	1.3
177.05576	1.0
178.02711	36.6
179.03172	1.7
180.04208	1.6
189.05583	2.8
190.02641	0.9
191.03738	0.9
191.05602	6.1
192.04266	3.7
193.01442	14.4
193.05051	100.0
194.01750	0.7
194.05353	4.4
201.11269	1.4
207.06644	2.7
208.03764	20.4
209.04155	1.0
217.04904	0.9
221.11729	0.6
221.35535	0.6
223.06107	33.1
224.06531	2.1
229.14464	0.7
231.38354	0.7
233.04543	4.2
233.94868	0.7
263.05624	5.3
343.11823	3.0
343.21259	1.0
373.12820	1.1
387.10779	1.1
416.99146	1.0
417.11963	11.1
417.20627	2.3
417.25360	1.1
418.11972	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	417.119
Annotation	CHEBI:68138
Peak:m/z	Relative Intensity
52.09948	0.2
59.01377	0.9
61.98821	0.3
65.03954	0.4
65.68728	0.2
69.03456	0.2
70.58562	0.3
71.01369	0.3
73.02945	0.2
92.26816	0.2
93.36031	0.2
97.02945	1.4
98.03287	0.2
101.02418	0.2
109.02946	0.3
113.02465	0.2
117.52209	0.2
123.00849	0.2
125.02489	0.3
133.02928	0.3
137.02429	0.7
150.19731	0.2
151.00372	0.9
151.03909	0.2
152.05031	0.3
152.06325	0.7
161.02431	0.4
165.07085	0.8
166.02731	2.4
167.08653	4.4
169.06577	11.1
170.06937	0.6
177.01930	0.2
179.03369	0.2
181.05077	3.7
193.06575	0.5
201.11267	0.4
209.06070	0.7
211.07629	100.0
212.07971	6.1
237.05542	2.8
253.08826	0.2
255.06601	1.8
268.47379	0.2
314.35724	0.2
344.82022	0.2
387.10944	0.6
387.87503	0.2
402.12921	0.4
417.11844	40.9
418.12164	3.6
418.17795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32123	1.5
57.03439	3.0
59.01375	100.0
61.98824	5.5
62.73383	1.6
69.03461	7.8
69.50397	3.4
69.50809	5.3
71.01382	74.2
72.99304	1.6
73.02942	14.7
73.03245	1.5
75.00871	4.3
79.05527	9.3
80.91702	3.2
81.03458	12.1
83.01402	6.2
85.02945	12.6
87.00877	2.3
89.02444	99.6
90.02799	1.8
93.19543	1.5
95.01372	3.3
96.17210	1.6
97.02969	15.3
99.00878	18.5
99.04577	1.9
101.02441	18.3
111.00906	2.2
113.02431	10.5
115.01351	2.0
115.04006	10.8
119.03518	3.2
123.04523	99.6
125.02442	48.8
131.03477	12.6
143.03526	4.4
149.04550	16.1
149.36435	1.5
153.05644	2.5
167.03549	4.0
178.91763	1.6
191.05632	28.4
192.05951	12.2
233.06656	45.4
293.08786	59.4
294.09030	2.4
315.10980	2.1
354.09189	3.7
357.12094	4.6
377.97186	1.5
417.14163	54.5
418.14374	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	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66851	1.1
59.01378	100.0
60.86528	1.0
61.98829	2.0
64.03932	1.0
69.03458	3.4
69.55413	4.2
71.01379	20.9
73.02960	2.5
81.03458	19.3
81.03931	1.1
85.02937	6.3
87.00858	2.2
89.02444	24.3
101.02428	11.2
113.02462	13.1
119.03508	9.0
125.02449	45.1
126.02787	1.5
141.05531	1.2
143.03470	2.7
149.04520	1.1
151.07672	2.3
159.02930	1.5
161.04538	10.4
164.14381	1.1
168.60399	1.2
170.64214	1.1
177.09334	1.2
179.05586	7.2
195.06610	10.9
211.06189	1.3
265.12918	2.6
357.11774	6.8
357.15598	11.2
417.17841	1.9
417.85590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03449	0.6
58.24900	0.3
59.01377	100.0
60.01706	1.0
61.98825	10.2
65.31787	0.4
71.01378	5.4
73.02953	1.2
73.13639	0.4
74.02451	0.6
74.35692	0.4
75.00873	0.6
77.50044	0.4
85.02950	2.1
87.00871	1.6
89.02444	5.2
93.03436	0.5
94.40398	0.3
95.01359	0.4
97.02963	0.5
101.02438	4.6
108.02159	0.6
113.02447	1.9
119.03526	2.1
123.00891	4.2
123.04523	0.6
138.03220	8.5
138.06885	1.1
141.09264	0.7
153.05563	7.1
153.06721	0.6
161.04558	0.6
167.03488	1.9
173.04549	0.7
182.05836	7.7
183.06372	0.5
191.05614	1.0
195.10362	0.5
211.13432	0.8
212.38443	0.3
218.78629	0.4
221.47627	0.4
241.61406	0.3
251.29797	0.4
255.08882	1.4
373.18594	0.7
417.17648	26.2
417.22678	0.9
418.17889	2.5
418.22897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38930	0.2
59.01377	5.1
61.98813	0.3
67.01879	0.3
69.52292	0.2
70.27344	0.2
71.01392	1.4
73.02937	0.7
81.03453	0.7
81.06644	0.2
84.02174	0.3
85.02943	0.5
89.02439	0.7
93.03469	0.7
95.01388	0.7
95.05000	0.5
97.02954	0.4
101.02428	1.1
107.05038	0.4
108.02213	0.4
108.88200	0.2
109.02956	3.4
111.00884	0.5
113.02448	0.4
121.02945	1.3
123.00882	4.3
123.04527	0.9
124.01662	0.5
125.02453	1.4
131.05020	0.2
133.02939	0.7
135.04510	0.5
136.01607	0.5
137.02444	17.1
138.03149	0.7
139.00349	0.5
139.04022	1.0
147.04532	0.5
149.02458	1.9
149.06087	0.3
150.03195	1.0
151.00369	28.1
151.03963	1.8
152.01176	3.0
152.04779	4.2
153.01950	0.3
153.05542	0.4
159.04549	0.8
160.05315	0.3
161.02374	0.7
163.04059	0.8
164.04836	0.6
165.01933	1.2
166.02708	70.1
167.03426	4.9
173.02446	0.3
175.04004	1.5
177.01932	4.1
177.05521	0.6
178.02635	0.8
179.03484	0.9
179.07153	0.6
181.05061	100.0
182.05397	3.5
184.03766	0.4
189.05612	0.4
190.02702	0.6
190.06346	1.2
191.03531	1.4
191.07097	0.3
192.04283	1.9
193.05049	1.2
195.02969	0.8
201.11328	0.5
202.67447	0.2
203.03476	0.5
205.05025	1.4
205.08690	2.1
206.05759	0.4
207.06670	1.5
209.04575	0.6
210.05234	0.3
215.03551	0.2
217.05130	0.5
218.05830	0.4
219.06606	0.6
220.07396	0.4
229.14380	0.3
233.08029	0.3
236.06993	0.3
255.06810	0.3
255.19106	0.3
271.06244	0.3
299.05719	0.3
301.07181	0.8
314.07861	0.4
316.09628	0.3
329.10419	0.8
344.08859	0.3
356.12619	0.4
357.09705	0.5
359.11285	2.7
371.15240	1.2
373.25800	0.3
387.10825	18.8
388.11118	1.6
402.13165	13.0
403.13431	1.1
417.15546	34.7
418.15646	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	417.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89524	1.4
59.01374	11.3
60.58870	1.4
66.99122	1.5
69.12007	8.4
71.01358	1.7
73.02939	2.6
81.03468	1.4
85.02940	2.0
85.62083	1.3
95.05035	1.8
97.02945	4.2
98.21841	2.3
101.02451	2.0
106.22118	1.5
107.04980	1.5
108.60569	1.5
109.02929	4.6
111.00918	1.3
111.04482	1.6
113.02455	1.6
123.00900	4.1
123.04494	4.9
125.02445	3.6
129.12665	1.6
137.02446	21.4
138.07207	1.5
149.02499	3.4
149.06027	1.8
151.00365	26.3
151.04031	1.6
152.04826	3.3
153.05368	1.7
159.04480	1.7
161.02467	7.3
166.02707	68.2
167.03322	3.8
169.06583	2.5
173.04538	3.7
176.03992	2.6
177.01913	5.6
181.05063	100.0
182.05487	3.4
191.05560	1.7
201.11501	1.8
205.05109	2.8
205.08525	2.0
205.80560	1.8
211.07648	25.7
212.07777	1.9
239.07137	1.8
254.09392	3.3
255.06549	2.7
255.10274	4.8
297.07642	17.6
327.08731	4.6
343.20569	1.7
359.11261	3.1
374.19699	5.3
387.10800	17.6
402.13165	14.5
403.13306	1.7
417.11365	10.5
417.15588	36.1
417.21210	8.3
418.16208	2.2
418.22351	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	417.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98724	0.2
56.70663	0.2
59.01366	0.4
61.94734	0.2
61.98807	0.3
66.34119	0.2
69.31209	0.3
69.31628	0.7
71.01363	0.4
73.02921	0.2
75.31610	0.2
79.70889	0.2
85.52707	0.2
93.03454	0.2
98.22686	0.3
109.02881	0.2
127.33981	0.2
133.02937	0.5
137.02420	0.2
146.03711	0.3
161.02415	1.2
173.04553	0.3
196.08878	1.3
211.07654	2.8
212.08400	3.8
213.08798	0.3
225.05540	0.5
229.50949	0.2
233.04628	0.2
239.07137	3.3
240.07904	63.1
241.08260	3.8
254.09555	0.9
255.10251	100.0
256.10599	6.6
294.20874	0.3
297.07703	1.7
327.08722	0.4
417.11807	0.7
417.21024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98821	0.4
63.08060	0.2
65.38440	0.2
65.62626	0.2
69.30803	0.7
73.37649	0.2
81.03456	1.4
87.74025	0.2
93.03413	0.3
97.02953	0.2
108.02164	0.7
113.02441	0.9
122.03739	14.9
123.00903	0.2
123.04077	0.4
124.88995	0.2
125.02447	0.9
137.02455	1.0
138.03235	0.2
139.03798	0.2
150.03258	0.5
156.05849	0.3
161.02455	0.2
165.05513	0.6
166.02716	0.4
169.06523	0.4
169.10249	1.6
171.08159	4.9
172.08557	0.3
179.55188	0.2
179.56778	0.2
181.05063	0.4
183.81990	0.2
195.06560	0.2
213.09203	100.0
214.09550	5.2
237.09203	0.4
238.42297	0.2
254.17535	0.2
255.10242	0.5
273.11301	0.2
417.17389	4.0
418.18039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.5
71.01376	1.3
73.02946	1.0
81.03452	0.6
83.01412	0.7
84.02171	0.4
85.02956	0.8
89.02430	1.7
93.03431	0.4
95.01391	1.0
95.05013	0.3
101.02435	1.2
107.05038	0.6
108.02169	0.3
109.02955	4.1
111.00896	0.7
113.02429	0.7
118.04485	0.3
119.04976	0.3
121.02940	1.1
123.00876	4.2
123.04514	0.6
124.01674	0.6
125.02448	1.3
131.04999	0.6
133.02870	0.5
136.01704	0.4
137.02446	16.1
138.03242	0.7
139.00310	0.4
139.04030	0.7
147.04456	0.5
149.02414	2.0
149.06120	0.4
150.03163	0.8
151.00371	25.8
151.04024	1.0
152.01178	3.1
152.04773	4.3
153.01994	0.3
153.05415	0.3
155.10759	0.3
159.04471	0.5
161.02452	0.9
163.03983	0.7
164.04807	0.6
165.01926	1.2
166.02711	64.6
167.03456	4.9
174.03268	0.4
175.04010	1.1
177.01936	4.4
177.05518	0.3
178.02690	0.4
179.03539	1.0
181.05063	100.0
182.05414	3.5
184.03789	0.5
189.05554	0.7
190.02760	0.7
190.06271	0.8
191.03435	1.6
192.04286	1.3
193.05051	1.2
195.03043	0.8
201.11378	0.5
203.03442	0.5
204.04263	0.5
205.05067	1.2
205.08687	2.8
206.05930	0.3
207.06560	1.5
217.05148	0.4
219.06705	0.5
223.06088	0.4
228.99945	0.3
249.07600	0.5
279.07248	0.3
299.05844	0.4
301.07123	0.8
311.09274	0.4
329.10318	0.9
341.10318	0.3
357.09717	0.6
359.11334	3.0
371.15051	1.1
373.25888	0.7
375.97247	0.4
387.10828	16.9
388.11298	1.4
402.13193	12.8
403.13602	1.5
417.15567	39.8
418.15646	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95879	0.7
55.01877	1.2
57.03440	0.6
57.42418	0.6
59.01377	100.0
61.98840	2.8
69.03458	3.5
69.71217	1.4
69.71599	1.5
71.01382	26.3
72.99318	0.8
73.02946	4.0
81.03455	8.9
83.01397	1.8
85.02950	7.0
87.00883	1.2
89.02440	25.8
95.01392	1.8
95.05018	0.6
97.02950	1.2
99.00886	1.1
101.02441	16.6
109.02969	0.8
110.64095	0.6
113.02450	15.6
119.03485	10.3
121.02885	0.9
123.04542	0.9
125.02452	19.9
131.03539	1.9
137.02496	1.5
139.03957	0.8
140.76392	0.6
141.05612	2.1
143.03497	2.2
149.04449	1.0
151.07668	1.6
153.01973	0.8
159.03029	1.3
160.21121	0.8
161.04552	17.9
161.05832	0.9
162.04790	1.0
167.07144	1.3
177.09155	3.6
179.05618	6.4
179.86531	0.8
182.05875	0.9
191.05650	1.9
193.05087	1.6
195.06616	5.5
195.10338	1.0
211.06097	1.6
265.12949	3.0
274.98447	0.6
314.12634	1.6
357.11963	2.0
357.15604	20.6
358.16043	1.6
379.16327	0.9
417.10489	2.7
417.17401	4.3
418.18481	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	417.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
60.32792	0.4
61.98828	100.0
62.98531	0.4
69.03444	0.5
70.80518	0.6
71.01391	3.7
73.02953	0.9
73.58654	0.3
75.00877	1.5
75.29520	0.4
83.01379	0.5
85.02966	1.4
87.00887	0.6
89.02441	3.5
91.01869	0.6
97.02968	0.7
99.00900	1.1
101.02446	0.8
107.99942	0.4
113.02457	1.0
123.04516	4.1
125.02483	1.6
131.03534	0.6
134.59401	0.4
153.05537	2.1
167.03465	2.0
186.93340	0.4
191.05634	2.7
192.05975	1.5
195.06631	0.5
233.06729	1.1
249.06189	0.9
293.08716	2.2
305.11444	0.4
336.18301	0.5
354.09088	0.6
354.19238	1.5
380.10413	0.4
417.10110	1.4
417.14218	1.5
417.19089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	42.4
61.98818	44.0
82.94099	30.4
162.83902	71.9
177.58563	31.9
308.79095	31.1
315.43625	32.4
343.24756	38.2
371.09479	42.6
386.11649	40.4
387.12201	48.8
417.17316	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13933	1.4
59.01379	100.0
61.98825	4.0
67.86955	1.3
70.44691	1.8
73.96767	1.3
102.75385	1.5
107.07532	1.4
113.02424	2.0
145.67749	1.4
153.98767	1.5
176.29141	1.4
187.61214	1.4
191.05667	1.5
417.17282	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44270	0.4
54.57595	0.4
59.01377	100.0
60.01708	1.0
61.94093	0.4
65.06522	0.4
71.01396	0.4
74.12718	0.3
75.38053	0.4
83.86395	0.5
95.12038	0.4
111.08181	3.2
113.02534	0.5
125.09714	3.1
136.31505	0.5
137.02464	1.3
162.02361	0.5
173.08185	3.1
187.09731	2.7
197.06142	0.4
203.08299	0.4
230.43985	0.4
232.55664	0.4
261.13507	0.6
417.15994	0.6
417.21191	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72855	0.4
59.01377	100.0
60.01714	0.7
61.60572	0.4
61.98814	0.4
62.71185	0.4
64.96386	0.3
71.01392	1.6
71.43819	0.3
83.05032	0.6
85.02958	0.5
89.02471	0.5
93.03461	0.4
96.36143	0.4
101.02472	1.0
102.64323	0.4
111.08163	3.7
113.02448	0.9
125.09736	3.7
168.40224	0.4
173.08182	3.3
173.49811	0.4
187.09773	2.9
221.56796	0.4
247.11992	0.5
261.13431	0.5
292.52960	0.4
374.63034	0.4
379.32251	0.4
417.21088	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	417.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.2
61.98825	3.1
69.37442	7.7
69.37848	4.6
76.33023	2.4
80.48339	2.6
85.00446	4.9
87.56565	2.6
92.83755	2.3
112.58199	2.3
113.91991	2.4
120.57920	2.2
121.05929	2.2
155.40077	2.7
161.69092	2.4
192.95831	3.1
232.10997	2.9
290.18451	3.4
352.96097	2.6
358.21573	3.2
374.24475	100.0
375.24817	8.5
417.32245	5.9
417.38571	2.3
423.87363	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41018	24.8
75.01458	22.9
128.13037	27.9
150.95943	25.2
152.99503	42.2
182.40627	22.5
183.89204	24.7
281.24805	100.0
409.50922	26.3
409.60339	26.0
438.65399	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01377	25.4
61.98827	100.0
71.01379	3.2
73.02951	1.4
74.02484	1.0
77.03781	0.4
82.95428	1.0
83.01421	0.5
85.02956	1.7
85.18240	0.5
93.03386	0.5
93.41106	0.5
98.51413	0.5
99.00905	0.6
101.02463	1.8
102.05612	1.6
103.24918	0.4
113.02451	1.9
116.92797	0.5
125.06080	1.1
127.04082	0.7
128.03548	6.2
130.08736	0.9
137.02457	0.6
139.04034	4.4
141.52908	0.5
146.04642	1.4
161.04564	1.6
165.05421	0.5
165.90891	0.5
191.05626	1.1
193.05090	0.5
199.98228	0.5
201.11296	0.5
223.06174	0.7
255.73009	0.5
269.10266	2.9
289.12363	2.1
305.12317	2.7
311.11496	1.1
396.24033	0.5
417.21478	0.7
418.16211	3.1
418.21518	1.6
418.25079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.02179	0.4
57.03452	0.6
59.01379	27.4
61.22094	0.4
61.98832	100.0
64.18534	0.4
64.98122	0.5
69.03465	0.5
71.01378	2.7
73.02943	3.2
74.02470	1.4
83.01408	0.5
85.02958	2.2
86.02454	0.6
87.00843	0.8
93.03469	0.8
99.05677	0.4
101.02467	2.4
102.05614	0.4
102.98543	0.4
111.00908	1.2
111.04541	0.5
113.02485	1.5
116.03562	0.7
128.03525	2.3
134.03726	2.8
137.02484	1.2
143.04671	1.6
149.06001	0.5
151.04082	0.6
154.66751	0.3
161.04619	1.0
165.01958	2.9
166.02730	1.5
167.03056	0.4
171.10196	0.4
173.04602	0.6
176.03717	0.4
178.02759	1.0
179.03404	0.8
179.07166	0.6
180.04239	2.1
181.05112	1.6
182.05353	0.5
184.10625	0.5
191.05626	2.4
193.05103	3.1
195.06630	3.5
199.13408	0.5
208.99176	0.4
210.05392	0.7
213.05582	0.6
225.07640	1.9
241.05099	2.1
243.12369	1.0
244.12752	1.1
254.07924	0.4
256.07547	1.2
257.08139	1.9
269.10440	3.1
272.08810	0.9
297.07809	0.8
306.07639	1.6
311.11453	1.2
330.24228	0.9
345.22876	0.7
356.22232	0.6
371.11453	1.5
374.23395	3.7
417.21051	0.8
418.17886	1.5
418.22528	10.8
419.13992	2.0
419.18826	0.5
419.27100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09428	1.1
61.98825	100.0
68.03667	1.1
70.06993	1.9
76.26322	0.9
98.22028	1.5
98.96073	1.2
113.44975	1.0
164.61095	1.1
172.66615	1.0
335.22302	1.2
361.55859	1.1
430.63083	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	418.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
59.01357	1.7
67.01881	6.5
69.03452	79.0
69.49432	4.5
69.49848	4.2
71.01386	18.7
79.91877	1.7
83.01416	1.6
85.02934	10.7
89.96802	1.6
92.98420	1.6
98.21918	3.4
103.22661	1.8
111.00884	27.5
112.01661	100.0
113.02451	93.0
113.03249	4.3
114.02792	2.2
117.37421	1.7
117.59116	1.6
123.66946	1.7
157.01414	70.0
182.01471	1.9
196.98473	3.9
223.05843	1.7
228.21550	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	418.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.7
61.98829	44.9
68.72287	0.6
71.01387	2.2
73.02946	1.1
85.02940	1.4
93.77218	0.5
101.02412	1.8
104.93723	0.7
106.37610	0.7
111.00905	0.7
113.02424	1.7
122.03740	7.6
143.03513	0.6
159.02965	0.6
161.04547	4.1
171.08171	3.3
184.28165	0.7
213.09209	100.0
214.09576	6.4
255.57922	0.7
280.65262	0.6
374.19812	1.4
375.14233	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	418.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	16.0
61.98821	7.9
69.55452	14.6
73.02943	10.4
74.02507	4.6
85.02951	8.5
109.02933	26.3
114.96728	4.2
128.03543	9.5
134.03737	41.0
136.01631	26.5
137.02414	14.2
143.04538	6.5
149.06065	11.2
151.04031	41.0
160.05223	4.5
165.01907	67.9
178.02672	19.6
179.03413	10.2
180.04292	44.5
191.05508	6.0
193.05051	77.2
195.06618	50.8
201.11226	5.1
209.06134	4.9
210.05376	6.6
225.07692	50.9
239.07170	6.0
248.41905	4.8
267.06580	53.7
269.08255	6.7
282.08929	44.2
296.20343	5.5
297.08234	3.8
297.11273	100.0
298.11523	6.4
315.12323	21.7
345.13379	53.0
345.22925	8.4
357.13422	13.0
371.11313	35.5
374.23230	9.1
418.22455	41.4
419.26422	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	418.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	74.3
60.01706	3.8
61.98819	16.0
64.01767	3.3
69.54541	11.7
71.01379	29.9
72.01716	4.5
73.02943	4.0
74.02435	3.3
81.54829	2.7
85.02934	9.0
87.00864	6.1
89.02441	29.0
90.02808	3.0
93.03455	6.0
95.05036	3.1
101.02446	14.9
109.02943	5.6
111.00877	4.0
113.02429	8.6
119.03493	9.1
121.02921	4.4
122.03648	7.1
125.02432	3.2
128.03595	3.7
136.01677	19.8
137.02426	3.2
138.62383	3.9
143.04666	5.5
146.03751	6.9
149.02390	6.8
150.03210	34.0
151.03984	23.5
164.04782	6.1
165.00136	4.2
165.05554	39.9
166.02618	3.8
167.01833	3.1
171.10223	5.1
173.04543	9.1
174.04886	3.7
175.04189	3.7
179.07089	15.7
181.04996	8.6
185.06110	7.3
186.06412	8.6
191.05617	19.4
195.06610	41.1
201.09222	100.0
201.11220	9.5
202.09540	76.7
203.09712	3.0
227.10767	5.1
257.08139	8.0
267.06674	5.6
279.06757	3.2
297.11230	3.8
312.10056	7.0
327.12354	29.9
328.12924	3.2
345.13217	8.1
345.22745	13.6
357.13306	16.6
370.62210	3.1
381.15454	51.5
382.15894	74.7
383.16098	4.8
418.17862	10.0
418.22992	5.7
419.13498	11.0
419.26779	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	418.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75258	1.3
55.01875	10.9
59.01366	5.6
61.98820	4.1
71.01382	5.0
71.43092	1.8
72.55247	1.3
83.95552	1.4
85.02963	2.8
89.02440	3.1
93.03445	2.0
97.02971	1.4
99.00848	1.8
101.02444	1.3
112.01665	30.1
113.02432	4.6
116.92841	1.8
124.07671	3.0
127.04010	47.4
127.07627	1.5
128.53638	1.4
129.05569	1.9
134.03731	2.8
134.09790	2.3
136.07709	2.4
144.00641	11.9
162.05585	4.1
176.07104	2.9
178.02716	1.7
178.08716	33.1
188.07127	1.7
191.05739	4.1
193.04996	5.9
194.05406	2.7
212.10803	4.0
218.15469	2.7
223.06096	1.4
233.06934	40.4
234.07318	2.4
246.14961	12.2
254.42885	1.5
262.14420	4.2
267.07059	3.3
290.13965	100.0
291.14285	8.5
305.16101	2.3
324.15881	4.1
418.12790	1.8
418.18112	2.9
419.22940	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59080	0.9
56.90814	1.0
61.98817	4.2
69.36158	2.4
69.36564	2.8
83.03559	0.9
88.46181	0.9
95.41233	0.9
96.29388	1.0
100.31022	1.1
107.87701	0.8
110.03771	2.3
125.02481	1.2
137.02426	1.4
138.03252	6.1
150.28958	1.0
164.99167	1.2
166.02660	5.4
172.84700	1.2
179.03474	6.3
180.04256	2.1
193.05037	4.1
235.09596	1.0
291.09134	8.9
293.17502	1.6
305.21277	6.0
333.20691	100.0
334.21100	8.0
359.15326	6.7
375.18298	2.7
383.07300	1.4
418.13232	1.2
418.18341	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	418.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
59.01374	2.6
61.98816	0.7
63.14498	0.6
71.01362	0.9
71.05015	1.5
73.02942	9.0
81.74160	0.6
83.05050	1.4
85.02919	0.9
85.06567	0.8
87.04488	1.3
96.04559	0.9
97.02965	0.7
97.06594	1.3
111.04527	4.2
115.04020	1.3
124.07625	0.9
129.05568	2.8
148.07687	1.9
150.09224	1.8
151.04068	0.9
160.07690	1.6
161.02367	1.1
162.09256	2.5
165.05455	0.8
174.09149	1.0
176.10800	1.2
182.05469	0.9
200.10875	0.8
202.12343	3.2
204.13919	11.1
213.09245	0.7
216.13997	1.0
222.15041	2.1
230.15459	1.0
232.17067	1.4
239.10822	2.1
244.16997	0.7
247.12035	1.0
248.07088	0.7
248.12897	13.3
249.13193	0.8
254.15666	0.8
256.16910	1.2
270.18481	1.1
276.16031	1.4
300.16037	4.2
312.23428	4.8
314.17725	0.9
332.13168	4.5
338.21313	1.9
354.20615	1.0
356.22333	10.9
357.22784	1.2
374.19626	0.8
374.23785	0.8
382.20245	1.8
400.21265	33.3
401.21494	3.3
418.22391	100.0
419.22659	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	418.2235
Annotation	Aranorosin
Peak:m/z	Relative Intensity
55.01878	1.0
57.03450	0.2
59.01366	0.7
59.98525	0.2
60.64692	0.2
61.98818	0.8
69.03450	0.3
71.01385	0.2
71.80027	0.2
72.04555	0.2
73.02947	24.9
73.88042	0.2
74.03280	0.3
77.16225	0.2
80.25512	0.2
83.05025	0.3
85.02945	5.6
85.06580	0.7
86.06105	0.2
87.00875	0.3
90.80573	0.2
92.52409	0.2
95.05049	0.3
95.61745	0.2
96.04550	2.2
97.02972	0.5
97.06583	0.6
98.03748	0.5
99.04524	0.5
99.80636	0.2
106.06736	0.2
107.08691	0.2
110.06126	1.3
111.04507	0.8
111.08160	0.4
112.04028	0.9
113.02444	0.3
114.05609	1.1
115.00404	0.3
115.03985	0.2
120.08191	0.3
121.06618	0.3
122.06112	0.4
122.09756	0.4
123.04552	0.3
125.02464	0.5
126.05612	0.3
127.52176	0.2
128.07185	0.2
134.09773	0.4
137.02484	0.3
139.07608	0.4
140.07129	0.2
141.01955	0.3
148.11356	0.3
166.08678	0.4
169.01021	0.3
174.09186	0.3
175.02495	0.2
176.10837	0.3
176.14455	0.6
178.16129	0.2
180.10455	0.2
186.12979	0.2
188.14490	0.6
190.12384	0.5
191.05678	0.6
192.10268	0.4
202.12450	0.9
202.16045	0.4
204.13922	1.0
213.65303	0.2
214.12375	0.4
220.13370	0.3
222.14920	0.2
228.14085	0.2
229.08711	0.3
230.11823	0.3
230.15550	0.3
232.13391	0.5
232.17099	0.3
239.35527	0.2
240.14049	0.3
244.17152	0.4
244.20700	0.6
246.14983	0.3
248.12862	0.7
256.16986	0.4
256.20612	0.3
257.08221	1.4
258.15118	0.2
266.13995	0.6
270.18539	1.5
274.18240	0.5
276.19693	0.2
282.18896	0.3
286.18201	0.5
286.25372	0.7
288.19696	1.4
289.20416	0.2
297.11298	0.3
300.16373	0.4
300.19736	0.7
310.21979	0.2
312.23325	1.5
314.17642	1.3
318.17093	0.3
326.17862	0.3
330.24368	7.4
331.24771	0.4
332.18600	1.4
338.20901	0.3
356.22314	5.5
357.22552	0.6
374.23346	40.2
375.23715	3.9
382.20367	0.8
400.17438	0.6
400.21976	1.1
418.22382	100.0
419.22720	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	419.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65490	0.5
51.67293	0.5
57.03452	3.0
59.01379	25.3
67.01860	0.6
68.99813	1.5
69.03460	1.9
71.01381	23.3
72.99310	2.8
73.02949	2.5
75.00869	11.2
81.03465	0.7
83.01384	2.8
85.02948	20.1
87.00877	7.2
89.02434	6.4
93.03495	0.8
95.01390	5.0
95.05020	0.5
99.00896	6.6
101.02442	2.2
103.00380	2.1
109.02953	0.5
109.06640	0.6
109.93562	0.5
111.00865	1.1
111.04533	1.3
113.02448	30.9
115.00366	1.6
117.01951	2.2
119.03497	0.9
125.01640	28.7
129.01930	2.0
150.99586	4.2
157.01437	0.6
161.04532	1.2
169.00606	1.7
173.04558	1.9
175.02530	1.5
191.05658	2.0
205.07193	0.7
207.05072	1.2
249.06146	25.0
267.07205	100.0
268.07458	4.2
269.10223	0.8
305.16116	1.2
419.07498	12.0
419.13257	0.6
419.18576	0.9
419.26175	0.7
420.08084	1.0
442.78033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01376	7.3
61.98822	5.5
67.01887	13.1
69.03447	2.5
69.08049	3.0
71.01378	7.6
72.99292	2.6
73.02945	1.8
75.00874	0.6
81.03451	0.7
82.95415	0.6
83.01406	0.4
83.05004	0.9
84.02126	0.6
85.02935	8.5
87.00882	0.7
89.02431	2.1
93.03470	0.9
95.01382	0.7
97.02936	1.6
99.00919	0.6
99.04511	17.8
101.02426	3.2
109.02930	0.8
111.00845	0.9
111.04516	1.2
113.02441	17.8
115.04029	2.5
119.03475	1.3
123.04491	0.8
125.02418	0.8
125.06071	1.1
127.04003	13.1
129.01936	13.1
139.04002	5.2
141.05585	0.7
143.03488	100.0
144.03796	2.3
145.05052	6.0
155.03516	1.1
161.04576	0.8
167.03430	0.6
171.03001	0.9
183.02971	2.0
183.91266	0.4
185.04507	1.0
185.06026	0.5
187.06277	0.6
191.05582	2.6
197.04503	0.7
201.09184	1.4
201.11295	1.5
215.05505	0.6
241.05046	3.1
257.08139	3.7
273.06131	0.8
305.08755	1.4
345.22769	1.9
372.07809	0.5
381.15436	0.8
419.11899	9.7
419.26459	1.9
420.12152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84184	12.6
59.01382	100.0
60.41731	11.7
61.98825	26.7
65.05367	11.0
65.94905	12.3
71.01385	54.2
72.99303	11.5
76.95563	13.6
77.45628	11.2
82.42973	11.6
82.95405	19.8
89.02438	36.1
96.96011	19.4
101.02439	22.0
113.02494	29.2
119.03460	11.5
125.03560	44.9
131.03549	16.1
147.04527	24.7
153.01788	15.4
154.05093	12.1
164.07143	37.0
186.11989	13.0
186.99207	18.2
217.00169	15.7
217.05708	11.9
253.96880	17.3
267.10788	14.4
284.44104	10.8
297.45309	15.9
322.06064	61.4
383.15302	36.0
419.13354	59.9
420.16757	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	419.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.6
61.98836	1.1
67.01858	0.9
69.52828	3.4
73.02927	1.7
87.00898	1.3
93.03492	1.0
109.02961	1.8
116.03530	1.2
117.03432	1.1
119.05032	1.2
121.02962	1.0
127.11273	1.0
128.03542	1.7
133.02931	1.9
134.03741	57.9
135.04498	2.7
136.01659	3.7
137.02449	17.8
139.04008	2.1
149.06088	13.8
151.03996	4.1
157.05107	1.1
163.03993	0.9
164.01170	1.8
165.01924	100.0
166.02246	3.9
171.10301	1.9
177.14177	1.1
178.02731	23.5
179.03493	20.6
180.04265	55.6
181.04662	2.9
191.05603	1.1
193.05051	83.9
194.05698	5.6
195.02930	3.1
195.05016	2.9
195.06610	76.0
196.07027	2.9
197.02734	1.0
201.11305	5.7
209.06142	5.5
210.05264	11.1
210.06938	1.1
219.10303	2.3
225.07674	56.8
226.08052	2.7
237.05547	2.6
257.08075	1.2
265.04977	2.7
267.06631	1.1
268.07092	2.2
269.08121	3.4
282.05310	1.4
283.09467	2.8
297.07666	10.6
298.11697	2.2
312.09940	6.3
327.12454	1.6
341.06622	2.4
345.22720	3.3
346.13605	2.0
363.98911	0.9
371.11337	44.5
372.11627	4.4
419.18533	1.5
419.26938	7.7
420.20734	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	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.5
61.98827	12.2
66.87679	1.2
69.03446	2.7
69.56268	3.8
71.01376	12.0
73.02946	4.1
83.01372	1.2
85.02946	3.8
87.00883	2.3
89.02433	10.5
93.03471	5.7
101.02439	8.4
106.68437	1.1
111.00900	1.7
113.02454	12.4
119.03482	3.8
121.02948	11.1
122.03733	13.6
130.08655	1.4
131.03493	2.7
133.02971	1.3
135.04520	5.2
137.05972	1.3
147.04475	1.2
149.02449	48.4
149.04524	3.5
150.03233	91.7
151.03673	3.4
152.01152	4.8
161.04504	1.8
163.04015	5.2
164.04794	23.1
165.01900	2.3
165.05569	100.0
166.05894	4.1
167.03455	1.0
169.05098	2.2
173.04436	1.4
179.05727	1.4
179.07115	6.6
180.04274	7.9
191.05576	3.8
193.01439	17.9
194.01730	1.6
195.06622	56.2
196.06982	2.5
201.11261	2.6
208.03757	29.9
209.04387	1.3
223.06110	82.5
224.06433	5.7
239.16490	3.2
305.16019	8.2
330.13281	1.0
345.22672	1.8
359.20813	4.6
371.11337	8.4
372.11472	1.4
419.09021	2.7
419.18018	1.9
419.22696	22.7
420.23212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1348
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
56.93156	0.2
57.03442	0.3
58.51631	0.2
59.01373	0.7
60.21825	0.2
61.98824	0.9
70.25940	0.4
71.01382	0.9
73.02938	0.6
73.22784	0.2
80.02654	0.2
81.03458	1.8
83.01370	0.3
84.35419	0.2
85.02969	0.4
85.23193	0.2
87.64385	0.2
91.01901	1.4
91.05526	0.3
93.03437	0.5
101.02430	0.7
108.02183	0.7
113.02489	0.5
122.03742	22.5
123.04069	0.5
125.02437	0.7
135.04553	0.3
137.02457	0.6
147.71341	0.2
156.05809	0.4
161.02359	0.2
169.06609	1.3
169.10242	2.0
171.08168	8.4
172.08469	0.3
195.08170	0.4
198.06812	0.3
204.14063	0.2
211.07623	0.3
212.08611	0.3
213.09213	100.0
214.09561	6.2
239.07120	7.0
255.10263	0.3
257.08173	3.2
273.18222	0.3
357.22931	0.2
401.21713	0.4
413.76801	0.3
418.22479	0.3
419.13470	61.4
419.22699	1.6
420.13812	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	419.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93156	0.2
57.03442	0.3
58.51631	0.2
59.01373	0.7
60.21825	0.2
61.98824	0.9
70.25940	0.4
71.01382	0.9
73.02938	0.6
73.22784	0.2
80.02654	0.2
81.03458	1.8
83.01370	0.3
84.35419	0.2
85.02969	0.4
85.23193	0.2
87.64385	0.2
91.01901	1.4
91.05526	0.3
93.03437	0.5
101.02430	0.7
108.02183	0.7
113.02489	0.5
122.03742	22.5
123.04069	0.5
125.02437	0.7
135.04553	0.3
137.02457	0.6
147.71341	0.2
156.05809	0.4
161.02359	0.2
169.06609	1.3
169.10242	2.0
171.08168	8.4
172.08469	0.3
195.08170	0.4
198.06812	0.3
204.14063	0.2
211.07623	0.3
212.08611	0.3
213.09213	100.0
214.09561	6.2
239.07120	7.0
255.10263	0.3
257.08173	3.2
273.18222	0.3
357.22931	0.2
401.21713	0.4
413.76801	0.3
418.22479	0.3
419.13470	61.4
419.22699	1.6
420.13812	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	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61883	0.7
55.01881	0.9
57.03434	0.8
59.01376	100.0
60.01706	1.0
61.17798	0.6
61.98830	2.5
69.03423	0.8
69.53907	0.5
70.53249	1.0
71.01378	6.3
73.02951	2.9
76.31942	0.6
79.08800	0.6
82.95443	0.8
82.97800	0.6
83.01431	0.9
85.02953	3.1
87.04490	0.7
96.96034	0.8
97.02234	0.6
97.02961	1.2
99.00904	1.0
101.02426	4.4
106.58849	0.6
113.02435	4.7
116.07175	0.9
120.44611	0.6
121.02965	0.7
130.08752	0.9
139.04013	3.3
143.03510	0.7
153.09296	0.7
159.03047	1.3
161.04541	7.1
191.05655	0.9
198.26929	0.6
267.68243	0.6
298.96036	0.7
355.68655	0.7
359.13644	2.4
365.90778	0.6
419.23560	1.2
420.20682	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70745	0.2
55.01865	1.0
57.03432	0.5
59.01376	6.6
61.98828	1.1
65.03963	0.3
67.01892	0.6
67.05520	1.3
68.90148	0.2
68.99807	1.1
69.03457	1.0
69.17523	1.7
71.01379	3.9
73.02941	1.3
73.94733	0.3
80.02684	0.3
81.03458	0.6
83.01373	0.7
85.02937	2.2
86.00076	0.4
87.00881	0.3
89.02436	1.4
93.03471	0.8
95.01372	0.6
95.05022	9.8
98.21866	0.6
99.00873	1.0
99.04556	0.3
101.02447	3.0
109.06600	2.5
111.00889	3.1
111.04491	0.4
113.02481	2.1
113.06107	0.3
119.03487	0.5
124.01639	0.4
127.00394	0.7
135.04518	0.8
136.05304	0.3
137.06004	0.3
139.04012	100.0
140.04362	2.6
142.27107	0.3
143.03508	0.8
154.99760	0.4
157.86131	0.3
161.02489	0.4
161.04489	1.3
170.02196	0.4
171.02962	0.7
173.04576	0.4
174.03325	0.4
179.05690	0.4
183.06720	0.4
184.06659	0.3
191.05589	0.7
192.13707	0.3
203.07104	0.5
215.12987	0.3
234.18732	0.5
235.11890	1.0
247.09869	0.4
273.07742	0.3
278.17609	2.5
281.09277	0.6
300.19754	0.4
305.12381	1.1
323.50656	0.3
344.18646	1.2
388.17590	0.8
419.10916	1.2
419.19308	1.0
420.20270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61883	0.7
55.01881	0.9
57.03434	0.8
59.01376	100.0
60.01706	1.0
61.17798	0.6
61.98830	2.5
69.03423	0.8
69.53907	0.5
70.53249	1.0
71.01378	6.3
73.02951	2.9
76.31942	0.6
79.08800	0.6
82.95443	0.8
82.97800	0.6
83.01431	0.9
85.02953	3.1
87.04490	0.7
96.96034	0.8
97.02234	0.6
97.02961	1.2
99.00904	1.0
101.02426	4.4
106.58849	0.6
113.02435	4.7
116.07175	0.9
120.44611	0.6
121.02965	0.7
130.08752	0.9
139.04013	3.3
143.03510	0.7
153.09296	0.7
159.03047	1.3
161.04541	7.1
191.05655	0.9
198.26929	0.6
267.68243	0.6
298.96036	0.7
355.68655	0.7
359.13644	2.4
365.90778	0.6
419.23560	1.2
420.20682	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	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50697	0.3
51.85714	0.4
55.01868	1.1
57.03445	0.7
59.01379	10.5
61.98854	0.4
62.59406	0.4
63.37253	0.4
66.68002	0.4
67.01900	2.4
67.05527	1.1
68.99818	0.9
69.03458	1.3
69.62251	1.2
71.01380	3.9
71.56661	0.3
72.99303	0.8
73.02943	1.7
81.03449	1.1
83.01383	0.5
85.02953	3.0
87.00883	0.4
89.02454	1.2
93.03473	0.8
95.05029	9.9
96.05322	0.4
97.02900	0.5
98.21789	0.5
99.00887	0.5
99.04518	3.8
101.02441	3.7
111.00818	0.4
113.02442	7.7
113.06109	0.5
115.03981	0.4
119.03499	0.4
127.03983	2.1
129.01906	2.4
139.04007	100.0
140.04333	2.9
143.03496	17.9
143.07256	0.4
144.03903	0.5
145.05078	1.2
161.04568	1.4
175.04216	0.4
191.05539	0.5
201.11263	1.0
215.12871	2.8
235.11928	0.9
240.27843	0.5
245.14148	0.5
305.12704	0.7
305.16049	1.3
326.41696	0.4
419.11951	1.3
419.19116	0.8
419.26743	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07395	1.9
51.31055	2.1
55.01889	13.4
57.03451	5.4
59.01382	63.7
60.59091	1.9
61.98838	4.9
69.03462	3.0
70.81946	2.4
71.01389	27.6
71.24432	2.5
71.24796	2.5
73.02930	4.1
80.91702	4.4
82.95421	29.0
83.01399	2.1
83.05054	5.2
85.02965	32.5
89.02452	37.2
96.96006	7.0
99.92593	10.7
100.93356	11.0
101.02455	16.3
113.02455	100.0
115.92088	14.8
116.92854	13.3
119.03522	13.9
119.05027	12.8
123.04542	3.3
125.02433	2.2
127.04019	2.9
131.03638	2.9
143.03487	4.6
146.03748	8.0
161.06049	4.9
163.04013	13.3
164.04808	5.2
173.04538	2.4
179.05608	7.3
179.07027	23.5
182.05867	4.7
185.02269	5.8
191.05626	3.9
191.17096	2.4
194.97516	2.6
197.08214	13.0
199.88454	2.5
221.08165	3.3
238.96707	2.4
240.98232	6.1
242.95930	2.3
255.01839	2.4
273.04636	2.9
359.07489	21.7
359.13385	28.0
419.02902	3.8
419.10068	4.0
419.19308	5.3
420.20322	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	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03438	3.0
57.17815	1.3
59.01378	100.0
61.98833	1.6
69.03458	4.1
71.01378	26.0
72.99315	1.4
73.02943	24.9
81.07105	1.2
82.95384	1.1
83.01398	3.2
84.04518	1.1
85.02944	12.4
87.00887	2.0
89.02436	13.6
92.37104	1.0
93.03451	12.4
95.01411	1.9
95.05015	5.2
97.02917	1.4
97.06616	1.7
98.00102	1.0
98.21798	2.4
99.00878	3.3
101.02438	18.4
108.02164	1.4
108.69386	1.0
109.06590	1.6
111.00877	2.6
112.01676	1.5
113.01704	2.1
113.02453	29.4
116.03489	1.1
119.03522	6.6
119.82288	0.9
124.70776	1.2
125.06127	1.1
127.04015	3.9
128.07387	1.1
134.03790	2.0
137.02444	14.0
138.05617	1.7
139.04012	55.0
140.04367	2.1
143.03537	1.7
143.07140	33.9
161.04568	14.5
162.09288	1.8
165.01964	3.0
173.04468	1.7
174.03214	1.7
176.03497	1.5
179.03503	2.0
179.05582	1.2
180.04231	1.6
185.06093	2.2
188.04817	1.4
189.92628	1.1
191.05600	3.6
193.05048	1.9
195.06644	2.7
201.11278	2.9
203.07118	3.0
212.04860	1.5
213.05571	1.3
229.08617	1.2
246.14897	1.8
278.17624	2.8
281.06711	4.5
281.09433	1.6
291.08820	1.2
292.15686	1.3
305.12424	58.6
305.15558	2.0
306.12796	4.8
345.23056	1.2
419.10098	9.9
419.18939	1.9
419.26413	4.2
420.20255	4.8
430.59781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94677	0.3
55.01869	0.8
57.03440	1.3
59.01376	6.4
61.98816	0.4
64.14761	0.4
67.01873	0.4
67.05531	1.3
68.99813	0.9
69.03445	1.5
69.20451	0.7
69.20859	1.3
71.01379	4.6
71.05024	0.5
72.99323	0.4
73.02942	1.9
78.10155	0.2
81.03458	1.0
82.95412	0.3
83.01384	1.0
83.05008	0.3
85.02930	2.1
87.00874	0.8
89.02441	1.7
89.45737	0.3
93.03455	0.9
95.05029	9.5
96.05338	0.3
97.06573	0.4
99.00896	0.3
101.02440	4.1
109.06590	0.3
111.00896	0.6
111.04520	0.4
113.02445	6.8
113.06082	0.6
116.92773	0.3
119.03492	1.0
124.01640	0.3
125.02481	0.3
134.03738	1.2
135.04498	0.5
139.04012	100.0
140.04350	3.0
148.03975	0.7
150.05626	1.6
151.06184	0.3
159.02885	0.3
161.04572	2.2
165.01930	0.9
165.09326	0.3
173.04532	0.8
176.03925	0.3
177.02132	0.4
178.02727	0.3
179.03552	0.3
179.05583	0.5
180.04268	0.8
181.05148	0.5
191.05626	2.9
193.05029	1.2
195.06631	0.6
201.11319	2.1
212.10970	0.4
213.10522	0.4
217.14418	0.6
225.07703	0.6
228.97331	0.3
235.11938	1.2
240.09125	0.5
255.11360	1.5
257.09213	0.8
273.07678	0.4
281.09381	0.9
299.10385	0.9
305.16013	2.6
343.21213	0.5
361.22379	0.8
373.22516	0.4
384.70074	0.3
387.08353	1.2
401.25488	1.0
419.10358	0.4
419.26944	3.4
420.20398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03436	0.8
59.01376	18.1
61.98803	0.8
63.49133	0.5
67.05522	1.3
68.99818	1.0
69.03440	2.4
71.01382	7.4
71.41375	0.6
73.02939	3.4
81.03456	1.4
83.01371	1.8
85.02944	3.8
89.02450	1.9
93.03459	1.2
95.05038	10.1
96.95999	0.6
99.00880	0.8
101.02437	6.8
109.06647	0.7
110.04745	0.6
111.00848	0.8
113.02443	12.4
135.04521	0.6
139.04008	100.0
140.04318	3.2
145.86337	0.6
159.02980	0.8
161.02478	0.7
161.04547	3.8
173.04546	0.8
191.05690	1.6
229.04254	0.7
230.51801	0.6
242.05878	0.9
255.02948	1.0
256.03336	0.7
257.03513	0.6
257.08276	1.3
286.03738	1.2
305.16064	10.3
419.08932	3.0
419.14017	1.2
419.18921	1.0
419.26566	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07395	1.9
51.31055	2.1
55.01889	13.4
57.03451	5.4
59.01382	63.7
60.59091	1.9
61.98838	4.9
69.03462	3.0
70.81946	2.4
71.01389	27.6
71.24432	2.5
71.24796	2.5
73.02930	4.1
80.91702	4.4
82.95421	29.0
83.01399	2.1
83.05054	5.2
85.02965	32.5
89.02452	37.2
96.96006	7.0
99.92593	10.7
100.93356	11.0
101.02455	16.3
113.02455	100.0
115.92088	14.8
116.92854	13.3
119.03522	13.9
119.05027	12.8
123.04542	3.3
125.02433	2.2
127.04019	2.9
131.03638	2.9
143.03487	4.6
146.03748	8.0
161.06049	4.9
163.04013	13.3
164.04808	5.2
173.04538	2.4
179.05608	7.3
179.07027	23.5
182.05867	4.7
185.02269	5.8
191.05626	3.9
191.17096	2.4
194.97516	2.6
197.08214	13.0
199.88454	2.5
221.08165	3.3
238.96707	2.4
240.98232	6.1
242.95930	2.3
255.01839	2.4
273.04636	2.9
359.07489	21.7
359.13385	28.0
419.02902	3.8
419.10068	4.0
419.19308	5.3
420.20322	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	419.1712
Annotation	Stilbostemin H 3'-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.9
57.03448	0.2
59.01373	0.8
61.98828	0.5
69.55375	0.4
71.01012	0.2
71.01383	2.9
73.02944	1.2
81.03429	0.2
83.01393	0.3
85.02946	1.6
87.00884	0.1
89.02417	0.2
95.01374	0.4
95.05025	0.3
97.02950	0.2
98.22553	0.2
99.00878	0.4
101.02451	1.5
106.04264	0.2
107.05073	0.1
113.02448	2.1
121.70338	0.1
122.03754	0.3
123.00874	0.1
123.04537	0.1
125.02477	0.2
135.04500	0.4
136.05307	13.9
137.02415	0.2
137.05650	0.4
139.04013	0.5
141.07072	0.1
149.02441	0.1
149.06094	0.2
150.03246	0.1
151.04013	0.5
151.07649	2.6
152.01115	0.3
152.07918	0.1
153.01938	0.2
159.03000	0.4
161.02420	0.1
161.04549	1.9
165.07045	0.2
166.02698	0.2
167.03481	0.3
168.03094	0.1
168.04362	0.1
169.06598	0.3
169.91559	0.1
177.01961	0.2
179.03624	0.1
179.08640	0.8
181.05054	0.2
181.10237	6.5
182.05479	0.1
182.10532	0.5
183.05669	0.1
187.04054	0.1
201.09282	0.2
213.09196	0.2
223.07660	0.4
225.09224	3.5
226.09576	0.2
241.08643	0.6
256.10999	0.3
257.11826	100.0
258.12158	6.9
281.11923	0.2
387.10910	1.1
419.23227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.2
61.98829	42.3
69.88569	34.6
122.03719	14.8
136.25935	12.5
149.06107	46.6
193.04990	14.2
198.37141	13.1
209.05977	21.6
213.09248	22.6
237.05492	25.4
239.10876	29.1
240.11539	48.3
241.08780	45.7
243.10341	17.8
245.38640	15.5
254.09439	69.5
269.11661	19.9
281.04617	32.4
343.13452	38.2
377.02310	27.8
387.12408	100.0
389.17648	54.6
419.03488	40.3
419.10190	18.2
419.14697	69.8
419.18674	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35849	6.3
51.64296	6.7
59.01355	8.4
61.52586	7.9
61.98820	12.1
65.06715	6.1
67.08112	7.1
88.53288	6.0
102.56995	6.8
108.88068	8.2
137.28058	6.7
149.06064	27.3
160.84218	35.4
161.77029	6.7
162.83897	100.0
191.03539	9.6
240.11552	61.3
419.14505	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88745	33.0
59.01397	36.9
69.79279	100.0
77.63102	37.7
102.02385	32.8
119.05027	50.0
121.02971	81.4
124.22674	37.9
135.04506	46.5
136.05318	58.2
164.04869	42.0
172.88124	38.9
241.27539	37.6
250.49373	39.2
299.13135	52.6
340.96942	36.4
368.37943	37.7
386.29410	34.2
419.14603	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82337	40.1
59.01371	93.0
61.98823	39.9
69.63997	32.9
69.96983	86.7
73.91753	37.8
97.23788	36.1
112.74825	39.7
114.58465	36.1
121.02958	37.4
145.02934	71.1
232.54994	39.1
235.03047	36.6
271.67328	39.2
419.18701	59.7
419.28003	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	419.2802
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
51.92040	0.9
59.01364	1.0
71.38757	1.0
71.82156	0.8
93.03466	1.5
95.01377	1.7
96.96022	0.9
100.42892	0.8
101.22027	0.7
105.03469	1.3
106.04243	20.1
107.05035	25.7
108.05402	0.9
109.02942	8.0
117.03455	0.8
121.02969	8.9
122.03746	1.9
122.89427	1.0
123.00903	2.3
124.01633	1.7
133.03011	0.8
134.03743	2.0
135.04559	1.6
136.04050	1.8
137.02449	2.2
150.03223	11.9
151.04013	9.6
152.01201	1.4
161.02466	2.6
179.03517	2.3
216.76755	0.9
241.90648	4.0
265.18057	1.3
273.89774	1.5
282.84232	0.9
293.17590	25.0
294.17868	1.4
366.40506	0.8
383.07175	24.3
384.07443	2.8
391.28543	40.3
392.28802	3.5
419.28070	100.0
420.28058	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	420.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19171	2.0
69.03442	9.0
69.74912	3.3
69.75295	3.1
71.01364	1.8
71.05009	4.3
78.95911	2.0
85.02958	4.3
87.04508	6.4
94.66826	1.5
96.04514	9.6
112.01662	7.7
113.02456	4.5
115.04001	64.1
144.68103	1.6
157.01352	5.5
157.26698	1.7
158.04573	4.0
159.02975	100.0
160.03314	3.6
230.12440	1.6
259.07077	1.6
262.05658	5.6
420.09729	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	420.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66418	0.3
55.01878	2.0
56.34621	0.3
57.03441	0.9
59.01381	4.6
59.61980	0.3
60.99284	0.3
61.98818	1.9
63.19398	0.3
65.00304	0.6
67.01868	0.4
69.03461	2.2
69.34240	1.4
71.01371	2.6
72.99303	0.4
73.02942	0.7
75.00853	0.6
76.98585	0.3
79.05528	0.6
79.07923	0.3
81.03462	0.8
82.00587	0.4
82.95422	0.4
83.01405	0.7
85.02949	3.6
89.02455	1.6
91.91297	0.3
93.03472	0.4
95.01377	1.0
97.02954	1.0
98.21875	0.5
99.00852	0.9
99.98608	0.4
101.02458	0.9
106.06589	0.5
107.05014	1.5
109.02959	1.1
109.06561	0.4
110.00098	1.1
111.00151	0.5
111.00882	7.7
113.02450	11.9
118.06651	0.6
118.98112	0.4
119.03590	0.4
119.05029	0.5
121.02940	0.3
121.06602	0.4
122.03709	0.7
122.06099	0.4
123.00875	4.6
123.04541	2.5
124.01723	0.7
125.02473	1.5
130.06616	0.4
132.04532	0.6
133.06616	0.3
134.06090	0.8
135.04529	3.8
135.08078	0.3
136.01674	0.6
137.02411	1.6
137.06081	0.6
137.09769	0.3
138.03207	0.5
139.00320	0.9
139.04033	2.4
140.01157	1.7
140.04622	0.6
141.01918	0.9
145.05171	0.3
146.06119	0.7
147.04529	0.4
148.07713	0.7
149.02419	1.2
149.06049	0.3
150.03261	1.9
151.04018	6.7
152.04343	0.4
153.05562	1.1
155.07184	0.5
159.04526	0.4
160.04059	0.6
160.07619	0.4
161.04681	0.8
161.05995	0.5
162.03210	0.3
163.04005	6.0
164.04494	0.4
165.05516	0.5
167.03462	0.8
167.10765	0.3
168.04256	1.4
172.03775	0.4
173.06044	0.3
174.05608	0.7
176.03496	0.4
177.05521	1.1
178.05142	0.3
179.05663	0.8
181.05057	1.7
186.05551	0.5
188.03452	0.7
189.05548	1.4
192.06548	0.5
192.10403	0.5
193.05057	1.0
194.11806	0.5
196.07738	0.4
199.09918	0.3
204.06645	2.0
205.05070	0.8
206.04564	0.9
207.06668	1.8
222.07678	0.4
234.11334	0.5
240.03377	0.6
258.14948	0.3
259.09750	0.4
296.16586	0.5
302.13876	0.4
307.10315	0.3
314.17404	0.4
328.15497	0.8
340.15543	0.7
346.16461	0.7
358.16660	1.8
360.07785	0.4
372.14410	0.7
374.16183	0.3
376.17267	0.3
384.14706	0.4
390.15546	4.7
391.15613	0.4
402.15573	4.4
403.15829	0.4
420.16577	100.0
421.16913	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	420.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.2
57.03440	5.2
58.22284	1.9
59.01382	11.2
61.98813	2.6
62.25285	1.8
65.11700	2.1
67.01888	18.8
69.03442	5.5
71.01378	4.6
71.26359	3.6
73.02970	3.5
77.74399	1.9
82.95417	5.0
83.05022	6.6
84.04537	5.0
85.02958	3.3
89.02474	2.5
93.03445	3.8
95.01384	3.5
96.95950	2.5
97.02940	21.3
99.04498	3.3
102.05566	4.1
107.05022	2.9
109.06585	86.5
110.06935	2.8
111.00877	100.0
113.02462	11.4
121.06448	2.1
122.09748	3.1
123.04517	3.6
125.02409	6.3
127.00372	19.9
127.04021	2.6
135.04533	2.6
136.05319	10.4
137.06079	8.4
139.03992	13.2
143.03485	12.2
144.24603	2.1
147.08136	2.7
154.99846	6.4
167.03488	46.0
168.10255	5.3
170.02272	5.4
171.02995	25.2
175.02788	2.5
175.07602	2.4
176.03537	5.6
176.67624	2.0
191.05647	5.8
192.13863	10.0
232.16969	4.5
234.18578	16.8
255.02983	3.1
278.17575	76.6
279.17908	5.3
294.17014	6.6
300.19635	8.9
334.16400	3.0
338.08902	4.7
344.18686	20.4
360.07703	3.0
361.18921	14.1
362.18735	2.5
373.25058	2.2
376.21198	13.2
377.17950	5.0
388.17621	30.0
389.18054	4.0
402.18951	4.5
420.20227	62.8
420.25629	3.0
421.09207	5.8
421.20621	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	420.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79285	0.4
55.01876	14.7
57.03447	6.7
59.01370	1.5
61.98825	1.6
67.98382	0.4
69.03459	2.9
70.97420	0.4
71.01375	1.1
72.99295	0.5
82.95418	2.6
83.01418	0.5
83.05045	0.4
85.02946	24.3
89.02460	0.4
97.02935	0.7
99.00880	0.8
100.01671	2.2
100.93355	0.5
101.02463	0.4
101.93400	0.4
109.06568	0.9
113.02448	100.0
114.02790	2.3
115.92033	0.4
116.92059	0.5
119.05055	0.4
132.45718	0.4
135.04504	0.9
141.61388	0.4
151.03981	2.1
153.05573	6.1
191.05571	0.4
197.08127	0.5
198.08578	0.7
198.84724	0.3
233.75542	0.3
259.09744	1.8
344.17807	0.4
356.29749	0.4
360.13867	1.0
375.07156	0.6
376.21072	0.4
420.20255	18.7
421.20514	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.5
57.03446	8.1
59.01387	3.3
61.98831	0.7
69.03451	12.0
70.43463	1.0
70.43784	0.8
71.01379	5.1
73.02955	0.8
75.48063	0.6
81.35711	0.6
82.95403	1.0
83.05049	1.0
85.02946	22.1
88.95171	0.6
93.03454	1.1
97.02953	4.4
100.01680	1.5
107.05000	3.3
109.02908	0.8
109.06581	7.5
111.00865	1.5
111.04538	2.4
112.00957	0.9
112.01670	7.6
112.14146	0.7
113.02444	100.0
114.02804	2.1
114.93404	0.7
120.32103	0.6
125.02431	1.1
125.06102	1.0
129.34486	0.6
135.04498	5.0
151.04007	16.7
153.05568	49.6
164.34761	0.6
191.05576	0.9
209.13054	1.4
259.09720	17.5
306.17133	1.4
308.75620	0.8
375.06882	1.2
376.21268	1.0
420.20239	18.2
421.20407	1.4
421.25238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99110	1.0
55.01867	4.0
57.03449	5.3
57.73239	0.9
59.01376	1.2
61.98819	1.3
67.01888	24.6
69.03452	3.1
69.33320	5.1
71.01366	2.0
83.05022	7.3
84.04543	5.7
85.02952	1.3
85.06569	1.2
93.03458	2.5
95.01384	7.0
98.22674	1.3
99.04508	4.4
100.04034	1.5
102.05608	2.3
107.05027	3.7
109.06587	93.1
110.06926	2.9
111.00877	100.0
111.04577	1.4
112.01671	3.2
113.02431	7.3
115.63942	1.4
116.92842	3.7
118.40907	1.0
122.03728	2.4
122.09756	2.2
123.04511	2.5
125.06061	1.4
126.03220	1.1
127.00378	12.9
127.04009	2.3
128.73993	1.0
134.09789	1.6
135.04477	1.6
136.05319	9.5
137.06105	7.1
138.03215	2.2
138.09192	1.3
139.04007	12.1
143.03505	9.7
147.08133	3.0
153.05547	1.1
154.99832	5.4
156.00659	1.9
160.99487	1.0
168.10344	3.1
170.02214	4.9
171.03011	25.1
172.03331	1.3
172.34636	1.0
176.14450	1.7
192.07993	1.9
192.13940	10.2
192.96149	1.0
219.47408	1.2
220.13480	2.9
222.14990	2.3
232.16994	2.1
234.18622	20.6
250.18152	2.3
258.15036	2.2
260.16519	2.0
272.20166	1.8
276.16080	1.5
278.17603	79.3
279.18018	5.0
294.17099	9.5
300.19666	9.6
316.19257	2.2
344.18671	23.1
345.18774	1.1
348.21768	1.5
361.18900	20.0
362.19278	1.8
376.21194	14.1
388.17627	30.9
389.18005	3.1
402.19220	2.2
405.85992	1.2
420.20309	35.9
421.16006	3.1
421.21017	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	3.5
62.40819	2.8
70.07693	2.6
70.72445	2.5
71.01385	11.7
73.02943	5.3
79.15071	2.2
85.02968	4.3
89.02452	2.9
101.02439	10.7
109.06590	3.2
137.28061	2.7
161.04546	8.5
226.53090	3.1
266.53076	3.0
275.45190	2.6
335.20618	11.3
340.26340	2.8
420.87186	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	420.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.27951	7.8
64.09238	6.5
69.08977	24.2
69.09383	18.1
71.01379	13.1
73.02966	7.7
85.02958	10.7
85.94719	6.0
89.02408	8.3
95.89335	6.8
98.22619	16.3
100.85362	6.3
107.05014	8.6
109.06564	8.4
111.00823	9.5
113.02434	13.9
133.07668	12.5
136.01720	7.0
151.04012	21.4
155.08353	7.2
173.24434	5.9
232.46674	6.9
241.08835	7.6
259.09720	13.0
288.25156	8.1
300.70605	6.5
324.29602	7.5
420.19254	8.3
429.74408	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	420.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47564	2.2
58.99531	2.3
59.01376	100.0
61.98824	3.3
65.62160	2.3
67.01871	2.6
69.03439	3.1
69.47671	3.8
69.48074	7.6
71.01377	15.4
73.02950	6.5
83.01368	3.0
83.05006	3.0
85.02944	7.5
89.02438	7.4
93.03474	2.8
95.01405	3.7
101.02445	15.2
102.37933	2.0
109.06576	8.4
111.00898	13.0
113.02439	9.9
117.37276	2.2
121.02900	2.8
133.02905	2.5
136.01694	2.5
137.02435	5.9
138.09261	7.0
139.04079	2.3
139.07607	3.0
147.04517	6.8
151.03928	2.4
159.96198	2.2
161.04546	5.0
164.07159	11.3
165.05482	2.2
191.05629	5.0
192.09186	2.0
196.35179	2.4
258.09628	5.0
259.09692	3.2
278.17560	9.3
286.14429	3.0
307.17560	2.8
307.22882	2.3
335.20444	2.9
344.18442	4.4
348.14481	18.7
349.14600	2.6
361.18677	3.1
403.07114	2.3
420.19482	9.0
420.30722	4.0
421.19809	4.5
421.24368	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	420.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14296	2.0
55.01860	2.3
57.03448	3.5
59.01378	100.0
61.98827	3.6
67.01893	3.1
69.03438	2.9
69.09279	10.4
69.09696	4.3
71.01013	3.2
71.01380	36.6
73.02940	15.7
83.01405	5.5
84.23973	2.2
85.02958	16.9
87.00876	3.5
89.02429	7.6
93.03442	3.4
95.01402	4.5
97.02895	2.3
98.22642	3.6
98.37816	2.3
99.00879	4.5
101.02435	26.8
109.02913	3.4
109.06584	6.9
111.00873	7.5
113.02460	14.9
125.02436	3.3
134.03757	5.0
137.02431	4.9
143.03482	2.0
159.03009	4.2
161.04561	18.2
164.07155	4.9
173.04572	2.5
178.02748	4.9
191.05602	6.0
215.07126	4.6
216.07420	7.9
234.18642	3.1
247.09695	7.4
278.17603	7.7
289.16571	30.7
335.20758	4.8
360.11633	6.9
378.12671	8.4
388.17609	2.9
420.13541	4.3
420.20285	3.6
420.30682	3.4
421.05750	3.8
421.20291	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	420.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98806	19.4
67.01896	8.2
69.34397	22.9
71.01382	15.6
82.01729	15.9
85.02908	10.5
89.02428	8.0
101.02449	11.0
109.02953	6.0
109.06598	13.1
110.53693	6.5
111.00877	18.7
113.02458	15.8
116.05063	10.5
118.06640	21.0
133.07703	46.7
135.04556	8.1
151.04021	8.1
155.08289	38.3
173.07227	14.2
242.11913	11.6
259.09714	10.9
273.01773	7.6
278.12909	7.2
314.28198	7.4
335.20624	8.8
376.20169	50.5
420.19699	12.3
420.30484	23.3
423.59064	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	420.2753
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.76645	0.6
59.01376	1.2
59.18082	0.5
61.98814	1.4
63.19112	0.5
70.06797	0.7
70.07126	1.4
98.22537	0.6
103.01567	0.6
111.00883	1.1
121.02959	100.0
122.03290	2.4
125.87323	1.1
127.87037	14.1
157.03084	0.7
159.86015	4.7
162.92563	0.8
164.92351	0.9
199.89125	1.5
274.59619	0.6
299.79596	0.6
384.07578	0.7
419.96255	0.9
420.03894	1.4
420.27560	62.0
421.04254	0.6
421.27972	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	421.0441
Annotation	Carbenicillin sodium
Peak:m/z	Relative Intensity
55.01860	0.4
55.60528	0.2
57.03427	0.3
59.01377	8.5
65.83987	0.3
69.54229	1.0
71.01378	4.7
71.05031	0.2
73.02948	1.1
75.00874	0.3
81.23572	0.2
82.95401	0.8
83.01370	0.3
83.05011	0.5
84.93853	1.3
85.02956	1.4
87.00877	0.4
87.04507	0.3
89.02440	2.9
96.96040	0.3
97.02956	0.4
98.95589	0.3
99.00887	1.1
99.92583	9.6
100.92665	0.5
100.93360	12.1
101.02434	2.7
101.93375	0.7
103.00388	0.5
107.05044	0.4
111.00883	0.4
111.08096	0.3
112.01694	0.3
113.02445	2.2
115.04004	0.4
115.92076	13.0
116.92856	100.0
117.92858	4.7
119.03487	1.1
125.69459	0.3
127.04023	0.3
127.07653	0.5
131.03461	0.3
134.99725	0.2
139.04008	0.9
140.04330	0.3
140.92850	0.4
142.94437	1.1
143.03558	0.3
151.04002	0.6
155.07175	0.3
156.92337	0.5
158.93872	0.5
161.04576	0.7
173.04517	0.4
173.92691	0.4
179.05646	0.9
184.91853	1.3
191.05589	0.6
196.95622	0.3
197.04544	0.4
199.09889	0.5
214.96632	0.3
217.01741	0.4
221.08241	0.4
223.06093	0.2
224.94951	0.3
258.07715	0.4
258.89429	0.3
259.07645	0.4
259.11935	0.5
259.15292	0.3
270.10889	0.2
278.17645	0.4
298.90472	0.2
299.02307	0.9
303.05258	0.3
306.07764	0.3
307.10312	0.7
307.14014	1.2
314.21548	0.4
317.03302	2.6
318.03754	0.4
331.04861	0.4
332.22324	0.9
333.22827	0.4
335.04404	3.6
358.20221	0.4
358.71381	0.3
359.04572	1.7
376.21237	1.0
377.05469	4.3
377.17987	2.9
378.05896	0.4
385.02158	1.6
403.03574	0.3
420.20255	0.8
421.04398	14.3
421.20816	4.6
422.04437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
61.72367	0.8
62.07940	0.9
69.03452	1.3
69.09959	5.2
70.72399	1.1
70.86842	0.9
81.03464	3.2
83.01383	1.8
85.06586	21.8
92.19791	1.0
93.03420	1.2
95.01424	1.1
95.05020	2.2
97.02943	4.8
109.02954	16.2
114.86894	1.0
121.02930	1.9
122.03708	1.2
123.04520	12.7
125.02441	11.4
131.07137	100.0
132.07494	3.0
135.04539	1.6
137.02444	5.8
139.04013	2.7
146.03638	1.5
149.02374	2.4
151.04022	5.4
159.04440	1.9
160.05312	1.5
161.06082	4.0
162.03227	0.9
164.01138	3.2
165.01929	3.0
167.03453	1.2
175.04044	1.9
179.03497	5.6
187.03975	3.4
187.05733	0.9
188.04788	2.5
191.05620	1.6
202.06323	1.8
203.07088	9.4
205.05080	6.6
211.50676	1.1
221.08157	3.4
245.08160	12.8
247.06229	1.3
277.12286	1.8
289.07169	78.8
290.07596	5.5
371.17355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1553
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
59.98693	13.1
61.98825	57.1
69.39581	49.7
74.88823	11.8
83.66987	13.7
89.01866	15.9
96.27390	13.7
96.95997	21.4
121.02839	14.2
136.32458	15.1
137.02452	16.9
178.77328	13.3
260.84836	14.4
335.10498	15.2
419.24252	16.1
421.15317	100.0
422.30814	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65689	5.2
56.29667	3.7
59.01379	13.9
69.28355	4.1
71.01382	5.3
72.08092	4.2
82.23611	5.7
91.08621	4.0
95.35220	5.2
98.22626	11.0
99.00829	4.9
99.92587	6.5
100.93362	8.2
101.02429	6.4
109.69958	4.6
113.02470	4.4
115.92094	9.0
116.92857	71.4
132.84836	5.3
157.00488	5.0
181.18628	4.3
266.34875	5.2
377.18188	9.8
416.47394	5.2
421.04538	6.8
421.16312	100.0
422.16891	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Broussoflavonol F
Peak:m/z	Relative Intensity
56.15630	3.1
57.03436	5.0
59.01377	28.5
61.98828	15.5
63.51245	3.2
69.21461	18.8
71.01389	12.6
73.02938	6.9
84.95121	13.9
85.02946	4.8
87.00843	3.6
89.02464	10.6
93.03426	4.5
98.21877	6.9
99.00831	4.4
101.02455	6.2
113.02451	9.9
115.05105	4.0
115.92075	3.7
116.92827	21.3
118.98091	11.5
121.14648	3.3
125.02455	8.5
149.02409	4.7
179.03758	3.9
179.05556	6.9
191.05650	11.2
205.05313	4.5
229.99138	6.9
252.48505	3.5
255.02962	6.3
256.03757	6.2
259.06131	34.6
265.99606	3.7
339.82977	3.1
377.17856	5.8
419.17862	3.7
421.09323	15.1
421.16162	100.0
421.20932	10.5
422.16797	8.5
422.21811	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	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01378	100.0
61.98836	7.6
69.47283	3.0
69.47668	2.1
71.01382	37.1
72.29494	0.9
72.99306	0.9
73.02950	3.7
79.90540	1.0
80.91669	1.6
82.95415	8.2
84.95127	1.6
85.02939	10.1
87.00868	4.4
87.04477	1.0
89.02444	53.1
93.27053	0.9
94.72786	1.0
95.01398	2.8
96.96027	1.8
97.02923	2.0
101.02445	21.2
109.02962	1.0
113.02456	19.7
113.23106	1.2
113.88051	1.1
115.04008	2.2
116.92903	1.6
119.03505	18.0
119.04981	1.4
125.02389	1.5
127.07692	1.3
131.03520	2.7
139.03995	3.1
143.03484	4.3
149.04614	1.8
151.04010	3.6
153.05563	6.1
161.04553	9.0
163.04027	2.1
177.01915	18.2
179.05621	21.4
191.05560	1.9
217.00009	1.4
232.76836	1.2
259.15308	1.3
307.10278	3.3
339.07108	4.4
343.14136	2.3
360.21503	1.5
361.14984	4.2
421.20764	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03447	2.5
59.01378	100.0
61.98834	2.5
69.03449	1.6
70.07968	1.7
70.08319	1.3
71.01379	34.3
72.99321	1.7
73.02960	4.4
73.20517	0.7
75.00891	0.9
76.84380	0.7
81.03448	1.1
83.01386	1.6
83.05037	2.9
85.02944	9.8
87.00917	1.6
89.02441	35.9
95.01392	2.9
97.02962	1.9
99.00903	1.5
99.04565	1.1
99.92583	3.7
100.93376	2.8
101.02435	20.1
102.02746	1.1
107.05022	1.0
109.06625	1.4
113.02446	19.2
114.02801	1.6
115.04055	2.4
115.92101	3.4
116.92854	42.5
117.92890	1.5
119.03504	16.8
127.04023	2.0
131.03513	2.4
135.04567	2.0
137.06079	1.3
139.04056	0.8
143.03473	4.2
145.05064	1.1
146.08282	1.7
149.04556	1.4
151.04025	2.9
153.05595	5.0
157.08510	0.7
161.04572	6.1
163.07581	3.9
177.01929	1.2
179.05595	16.3
179.34235	0.7
184.91946	1.1
188.61159	0.8
191.05632	1.5
199.09785	1.1
200.74135	0.8
223.06268	1.7
241.10869	1.6
259.09647	1.8
259.11945	4.3
301.13040	0.8
307.10477	10.6
307.13812	1.2
317.03397	1.2
331.13879	4.4
333.69064	0.9
338.09781	0.9
343.13974	22.5
343.18015	1.3
344.14404	1.9
361.10413	1.5
361.14993	29.3
421.04147	5.3
421.16479	8.5
422.17035	3.4
422.22015	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	421.2079
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	5.6
57.03445	5.7
58.00593	1.5
59.01377	92.1
60.01710	1.0
61.98829	6.4
64.81657	0.4
66.47377	0.4
68.99805	0.8
69.03459	4.2
69.22974	2.6
69.27369	0.5
71.01379	100.0
71.04987	0.6
71.62646	0.5
72.01717	1.6
72.99296	3.0
73.02941	27.4
74.03277	0.5
75.00869	1.0
81.03463	2.0
83.01385	16.1
83.01890	0.9
85.02945	39.6
86.00071	0.7
86.03290	0.6
87.00871	3.8
87.97386	0.5
89.02442	55.0
90.02805	0.7
95.01385	5.3
96.25210	0.4
97.02934	5.8
98.21783	0.8
99.00878	9.7
99.04495	0.5
100.67883	0.5
101.02440	67.4
102.02763	0.7
111.00880	7.8
112.55667	0.5
113.02448	31.3
115.03983	2.4
119.03479	1.5
125.02440	9.8
127.11274	2.2
129.01921	1.8
131.03499	28.4
132.03835	0.6
135.04430	0.5
143.03497	5.6
149.04541	15.2
159.02988	4.5
161.04550	27.2
162.04987	0.6
173.04558	1.0
187.05977	0.7
191.05632	4.8
215.05602	1.4
227.48520	0.5
233.06656	7.2
271.15546	0.8
289.16547	41.9
290.16830	2.5
293.08765	3.2
377.18997	0.8
421.20770	57.9
422.21088	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
56.69315	0.3
59.01377	100.0
60.01711	1.3
61.98855	0.3
69.03464	0.9
71.01385	4.8
73.02938	3.1
75.00886	0.3
83.01399	1.1
85.02940	1.5
87.00887	0.6
89.02450	2.9
93.03458	0.4
95.01372	0.4
95.05070	0.4
99.00890	0.3
101.02440	4.4
107.05016	0.5
109.02953	9.6
109.06620	0.3
111.00886	0.3
113.02448	6.7
114.02820	0.3
119.03516	1.2
119.43857	0.3
121.02977	0.4
131.03520	0.4
134.03780	0.4
136.01646	2.0
137.02417	1.4
139.04015	1.3
140.04411	0.3
141.04428	0.3
143.03505	0.4
149.04546	0.3
151.03993	1.7
161.04582	2.1
165.01707	0.3
174.06985	0.3
177.01949	0.4
179.05666	0.3
191.05721	0.5
215.12952	0.4
230.18062	0.3
259.09796	0.7
267.07526	0.3
271.08267	2.5
275.09311	0.4
307.14053	0.8
307.17670	2.2
361.18710	0.6
377.17996	0.5
393.94336	0.3
403.26620	0.4
421.20840	3.1
421.28061	0.5
422.21558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	0.9
71.01387	3.0
73.02943	5.2
83.01403	1.1
85.02969	1.3
89.02468	1.5
93.03503	0.4
101.01380	0.4
101.02441	5.1
109.02985	0.7
113.02439	2.7
119.03523	1.0
121.02960	4.2
134.03752	0.7
136.01682	0.8
137.02444	2.4
138.03238	0.7
143.03542	0.6
145.08777	0.9
149.04643	0.9
151.04079	0.6
153.05647	0.8
161.04596	1.6
227.07135	2.8
243.06786	0.7
244.07497	0.9
258.09088	0.8
259.09747	5.3
271.71442	0.5
307.14148	2.7
307.17349	0.7
407.03339	0.4
421.15436	0.6
421.20905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79869	0.4
55.01874	5.2
57.03447	4.6
58.00592	1.5
58.96619	0.5
59.01375	82.5
60.01727	0.5
60.04446	0.4
61.24420	0.3
61.98829	4.4
69.03453	2.9
69.45831	0.8
69.46216	0.9
71.01377	100.0
71.04995	0.6
72.01707	1.3
72.99294	2.7
73.02943	29.1
74.03301	0.6
75.00855	1.5
81.03448	2.4
83.00982	0.3
83.01380	13.9
85.02946	37.9
86.00097	0.7
87.00867	4.3
87.04482	0.4
89.02441	53.7
90.02770	0.8
95.01382	4.3
97.02944	5.7
99.00879	9.8
101.02438	64.4
102.02769	0.8
111.00874	7.6
113.02446	33.0
114.02765	0.6
115.04000	1.8
119.03506	1.9
125.02438	8.5
127.04030	0.4
127.11275	2.0
129.01964	1.3
131.03497	27.7
137.02483	0.8
139.03944	0.4
143.03503	5.8
149.04546	14.5
155.03505	0.5
158.58327	0.4
159.02975	4.4
161.04553	28.1
162.04916	0.7
167.03529	0.6
179.45944	0.4
181.09076	0.4
191.05576	4.0
203.05856	0.4
215.05569	1.5
233.06644	6.7
271.15491	0.7
289.16547	40.3
290.16861	2.7
293.08710	2.7
353.08273	0.5
393.54312	0.5
421.20740	63.3
422.21274	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	421.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94905	0.9
59.01379	92.6
60.01710	1.7
69.34260	5.0
76.09290	1.0
87.00886	1.2
98.22597	2.2
103.01496	100.0
125.87343	8.5
126.88089	3.6
127.87025	7.5
128.87794	4.8
131.56256	1.0
152.99542	1.4
157.86238	1.3
159.85989	2.8
169.26442	1.0
230.30621	0.9
243.25774	1.0
268.88196	1.1
295.22726	3.5
313.03128	1.8
314.03122	1.2
315.02609	2.7
317.21021	1.8
322.00427	1.1
349.00479	1.2
350.00919	1.7
351.00345	2.9
385.12466	3.2
421.09384	6.6
421.22897	2.6
422.09003	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	421.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.02489	1.7
64.84843	1.4
75.51521	1.4
78.95895	5.8
80.96515	19.7
81.97526	1.3
85.00437	1.7
92.91979	5.5
99.92593	2.2
103.01497	86.5
113.02441	8.1
117.61192	1.4
122.89409	5.6
125.87332	32.6
126.87352	3.9
126.93010	1.8
127.87029	36.2
141.12836	3.5
152.99556	3.6
155.14452	1.5
157.86279	10.6
159.86024	11.5
164.11554	1.3
168.38779	1.4
218.98985	1.6
221.75922	1.4
249.22176	2.9
253.21703	2.5
288.08417	1.6
295.22754	45.4
295.26120	2.3
296.23065	4.0
353.18536	1.7
377.23117	3.0
378.22018	2.8
385.12479	11.4
421.14877	2.6
421.23022	17.5
422.23047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74017	0.5
78.95900	4.2
85.04384	0.2
96.96929	0.4
110.98535	3.1
152.99591	2.2
167.01123	1.1
185.02173	3.4
217.30550	0.2
218.89262	0.3
244.60927	0.2
253.21712	100.0
254.22049	7.2
421.23566	7.2
422.23856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.6
64.55860	0.3
80.91685	2.4
83.14977	0.3
114.77789	0.3
116.92851	0.7
147.08212	0.5
163.11281	100.0
164.11607	4.6
179.14946	0.3
298.22128	0.4
339.23270	67.5
340.23599	6.3
421.22446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42933	11.0
59.01378	19.8
61.98824	34.6
84.69306	8.9
87.98663	10.4
90.46123	9.7
90.79282	9.8
109.44500	10.4
123.04557	62.6
147.42357	11.7
162.03177	14.8
268.07364	23.7
269.08115	15.7
283.09772	15.0
297.11362	10.1
394.72638	10.4
421.16583	100.0
422.16711	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03759	0.6
70.28284	2.0
70.35573	0.7
78.95901	23.7
80.96494	1.0
83.50710	0.8
91.01901	1.7
92.02676	22.4
93.02866	1.2
93.03458	22.9
93.19477	0.9
94.03714	0.9
95.01380	5.2
96.95971	0.7
98.21828	0.8
99.92572	2.3
108.02168	5.4
110.98534	43.5
121.02962	1.3
136.01657	16.1
137.02452	13.4
141.93628	0.8
142.93628	1.0
150.63826	0.8
152.99585	3.3
155.83664	0.8
167.01141	1.2
185.02196	100.0
186.02510	1.4
253.21721	29.9
254.22064	2.2
358.75751	1.0
377.26947	50.4
378.27231	3.9
383.07208	1.8
385.06970	1.6
421.25912	94.4
422.26349	10.1
441.73398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38258	60.7
61.05597	55.4
61.98816	63.2
70.54949	100.0
77.78974	53.1
78.67207	51.2
89.50642	53.5
111.76051	60.0
142.00369	57.5
156.39804	54.1
278.25760	64.2
283.93640	62.6
421.22760	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07912	44.8
58.46557	44.0
59.01358	58.5
61.98824	76.3
69.67780	89.8
69.68139	100.0
75.88893	41.8
100.94561	41.6
121.02972	89.9
122.03294	56.5
237.57764	41.1
381.17276	56.3
421.27756	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23139	0.4
59.01411	0.4
67.01896	0.5
69.03461	0.8
70.13850	0.4
70.21159	0.4
71.20552	0.5
73.85143	0.4
83.05026	1.1
96.95967	0.5
97.00617	0.5
257.51196	0.6
307.30014	1.6
309.31464	0.8
337.31110	5.7
347.33133	1.6
349.34750	3.2
357.31717	0.8
359.33124	1.2
375.32581	1.0
377.34232	27.9
378.34531	2.6
379.32095	4.9
380.32513	0.7
421.33221	100.0
422.33536	10.6
444.31277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28939	1.3
59.01384	5.9
61.98831	2.8
70.45361	1.5
71.01373	2.6
71.05035	2.0
73.02939	4.4
78.95904	46.2
80.91686	2.2
89.02451	1.8
96.96024	26.4
96.96958	95.0
98.03725	3.2
98.22522	1.3
99.40322	1.2
101.02428	1.4
116.92821	2.9
125.02396	1.1
128.03508	2.0
132.78453	1.2
169.44145	1.2
170.99707	2.7
187.05188	1.4
198.34558	1.1
201.81044	1.2
208.13539	1.7
213.00752	3.7
218.19148	1.3
244.17024	2.3
262.18161	10.7
289.76581	1.5
306.17014	18.6
307.09113	1.2
312.87003	1.5
322.16452	3.1
324.18158	100.0
325.18585	5.8
341.10956	1.7
348.40729	1.4
362.12756	3.0
422.10306	1.8
422.15372	14.9
422.20837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02423	1.0
52.43798	1.2
59.01371	1.8
62.68729	1.0
71.05001	5.7
81.12401	1.0
85.02946	1.6
87.00862	1.9
87.04504	5.2
92.06084	1.0
96.04552	1.8
96.97012	1.8
97.02946	1.4
113.02464	1.4
115.04003	67.1
116.04327	1.7
130.08751	1.5
134.22217	1.0
159.02980	100.0
160.03320	3.6
238.98917	1.0
240.62831	1.1
278.22211	1.0
363.00500	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	422.2182
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
57.03438	7.9
59.01381	100.0
67.51309	1.7
69.03452	10.6
71.01360	2.4
71.05028	6.6
71.66040	1.7
73.02943	7.7
83.05030	3.9
84.04560	2.6
84.76035	1.7
85.02939	2.3
97.02340	3.6
97.02946	47.7
98.22682	4.1
99.92580	2.6
100.93350	9.4
101.06106	4.2
114.37672	2.0
115.03992	2.9
115.92098	6.7
116.92861	6.7
127.04032	6.0
127.07638	2.2
129.05577	5.0
134.03743	11.5
142.94382	3.3
145.05067	20.9
149.06075	2.1
152.04781	6.6
155.10617	1.8
160.01701	2.6
161.45245	1.9
175.03943	3.0
178.02707	6.0
193.05042	15.7
210.97052	6.5
217.96786	3.9
228.98091	16.2
241.21254	1.7
243.00456	2.0
244.16997	3.3
260.16464	2.0
261.95602	9.0
262.18076	5.4
306.17136	14.5
321.09900	6.9
324.18109	46.3
325.18610	2.5
344.18665	9.0
360.21786	2.0
378.22900	10.2
390.00513	2.0
401.91736	1.7
404.20816	3.2
405.02872	6.8
422.21863	92.2
423.22150	9.4
437.01962	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	422.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56802	0.3
57.03445	34.0
59.01374	1.9
61.98824	1.3
66.03473	0.7
69.03465	2.1
69.05286	0.6
69.05690	2.0
70.02967	0.7
71.01370	0.6
72.48928	0.3
73.02939	1.2
80.05044	0.6
83.05019	1.8
84.04513	0.4
85.02945	4.9
85.06584	0.8
85.78265	0.4
86.02467	0.7
87.00344	0.4
87.00871	7.7
87.04509	0.5
94.02993	0.4
94.06635	0.8
96.04553	0.5
97.06591	0.3
97.57137	0.4
98.06116	0.4
98.22659	0.8
106.06623	0.4
109.06619	0.4
111.08152	12.7
111.97047	0.4
113.02451	2.6
115.04007	0.5
116.92839	0.9
117.22679	0.4
123.08136	0.7
129.05576	0.9
129.06439	0.4
131.03513	0.6
131.62138	0.4
137.09663	0.5
148.11339	1.0
149.09705	1.0
151.11249	0.4
157.08740	0.6
162.09244	1.3
163.10010	0.6
163.11284	5.2
167.78345	0.4
175.11374	0.5
176.10822	4.3
177.12877	2.1
188.10732	0.6
191.05708	1.8
192.13882	1.0
200.14452	3.0
201.12866	0.8
203.14445	1.0
204.13933	3.6
212.14226	0.4
218.15459	8.1
219.15791	0.6
228.17366	0.4
228.98036	0.4
229.99138	1.9
230.15439	0.8
232.13397	0.4
244.16937	2.1
246.18663	0.9
248.00218	0.4
248.13210	0.4
256.17041	3.0
268.15512	0.7
272.19974	0.5
274.18112	18.1
275.18433	1.4
290.17688	2.0
292.15552	1.0
308.18542	1.7
310.20239	0.5
314.21234	1.1
318.17093	11.5
319.17490	0.9
358.20056	0.7
360.21765	4.2
378.18814	0.4
378.22784	10.8
379.23245	1.1
404.20755	18.0
405.21219	1.8
422.21814	100.0
423.22177	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	422.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03439	2.4
59.01381	3.7
61.98816	0.7
62.02795	0.6
69.03442	2.0
69.67628	1.0
69.67956	1.8
70.99976	0.7
71.01391	1.6
71.05003	2.1
73.02934	4.8
82.95419	1.3
83.05017	6.8
84.04548	1.6
85.02924	3.4
85.06592	2.7
86.06076	0.8
87.00867	3.2
87.04495	1.7
95.04990	1.0
97.02957	4.2
98.21956	1.4
99.04528	0.8
99.92564	3.5
100.93369	6.8
109.02979	0.7
111.04520	6.2
112.01659	0.9
113.02476	3.9
115.04031	2.0
115.92068	11.2
116.92845	9.7
123.04504	0.8
125.02390	0.9
125.06107	1.8
127.04014	3.4
127.07636	0.7
129.05576	51.3
130.05867	1.8
134.03741	10.9
137.02428	1.2
137.09715	1.1
142.94360	1.1
149.06100	4.1
151.03972	1.6
152.04706	0.9
153.05528	1.8
154.05928	1.0
160.01646	2.8
168.96033	0.9
175.03987	3.0
176.01649	1.0
178.02695	7.5
191.05751	0.8
193.05042	14.3
193.06731	1.0
210.97098	4.4
216.96008	1.7
217.96783	4.2
223.06055	0.8
224.06424	1.0
228.98074	17.0
229.00237	1.3
239.12871	0.7
248.00214	0.7
261.95737	7.5
292.97903	0.9
298.52771	0.7
304.15491	2.2
306.17169	1.4
308.18747	1.0
318.16992	1.8
321.09717	6.6
324.18137	3.1
330.20676	1.6
336.18213	1.4
340.20209	1.3
342.20609	0.8
360.21640	2.6
364.84705	0.7
365.63971	0.7
374.19421	4.3
378.22794	2.1
387.01794	1.8
390.00504	2.0
392.20773	8.4
404.20761	9.9
405.02899	5.6
405.21237	1.2
422.21826	100.0
423.22229	9.3
437.01694	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	422.2336
Annotation	Militarinone C
Peak:m/z	Relative Intensity
58.12626	0.6
61.98821	2.5
66.03512	0.7
66.24361	0.6
66.37647	0.6
70.80359	0.7
93.28696	0.6
106.04250	2.5
107.59303	0.5
109.02970	1.8
121.02956	5.4
122.03726	3.4
134.03716	0.9
137.02406	1.9
137.06088	1.1
143.97838	0.6
148.05305	10.3
149.05986	1.2
160.08902	3.3
161.09686	2.8
163.07655	1.1
164.60403	0.6
164.83563	1.3
165.01961	1.2
176.08412	2.6
180.04289	3.2
187.07652	1.8
188.08336	1.2
202.09802	0.6
203.10786	13.2
218.11847	6.0
227.10954	0.9
229.12347	0.9
234.14995	0.9
249.09987	0.7
268.13318	0.8
270.14990	1.0
272.16589	7.2
273.16879	0.5
284.16757	1.2
298.18134	1.1
306.20459	0.6
306.60239	0.6
324.19720	1.9
332.59290	0.6
353.88013	0.6
378.24380	3.9
394.23746	1.9
422.23349	100.0
423.23734	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	423.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51014	0.8
58.85403	0.9
59.01377	100.0
60.01713	1.0
61.20936	0.9
61.98835	4.5
66.22231	0.9
71.01382	9.1
73.02940	9.4
83.01396	3.4
85.02962	3.1
87.00859	1.2
89.02460	6.0
93.03457	1.0
96.96017	1.3
99.00857	1.0
101.02441	9.5
113.02456	4.5
119.03465	2.4
131.03542	1.1
142.04068	0.9
143.03534	1.5
161.04607	2.2
179.05679	2.1
191.05600	3.4
301.16559	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	423.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17707	1.7
55.01880	2.8
59.01372	10.9
69.03439	5.2
69.91510	2.5
69.91830	2.7
71.01376	6.0
76.43671	1.5
78.95898	3.5
85.02919	2.4
87.04472	1.6
88.98789	2.5
89.02436	3.4
93.93951	1.5
96.96929	2.8
98.99333	2.4
101.02408	4.4
111.00869	2.2
112.01657	100.0
113.02477	12.3
115.03996	2.6
115.99654	1.8
117.00430	1.8
125.00900	2.5
127.04008	11.5
127.04822	1.8
129.00566	1.9
129.05563	5.4
131.08229	3.8
141.00432	10.1
145.05054	4.8
153.00409	5.1
159.02971	6.1
161.04485	2.4
173.04558	8.4
179.05603	1.6
183.01463	2.8
191.05611	2.1
195.01462	9.3
201.02563	2.0
229.56383	2.1
238.98891	4.6
241.51840	1.5
243.03603	26.3
251.11391	9.0
257.00092	3.0
290.55774	1.9
303.05566	3.4
307.01407	2.0
309.02972	5.9
309.08252	4.5
341.10794	2.4
363.00662	14.1
363.07678	6.9
388.93680	1.8
423.18622	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1661
Annotation	Youngiaside A
Peak:m/z	Relative Intensity
55.01868	2.0
57.03462	1.4
58.00589	1.5
59.01377	100.0
59.88499	1.4
61.98832	6.7
64.33208	1.2
69.74315	1.0
71.01381	55.5
71.41505	1.8
72.99315	3.0
73.02930	6.1
80.91699	2.9
83.01389	3.9
85.02950	13.4
87.00879	4.7
88.45013	1.2
89.02440	54.5
91.05552	4.5
91.71524	1.1
93.03452	2.2
93.08206	1.2
95.01392	5.0
99.00877	2.6
101.02436	35.8
107.02647	1.2
111.04558	1.6
113.02451	24.3
118.94846	1.3
118.95887	1.3
119.03505	29.8
121.02972	2.1
125.02476	9.0
131.03514	1.8
134.03725	1.6
143.03497	4.5
152.04800	1.6
161.04552	5.4
162.83911	4.5
164.83597	3.0
173.04510	8.1
173.09721	1.2
179.05605	5.0
187.11240	2.4
208.21162	1.4
215.10707	3.3
217.12361	4.2
225.09201	9.3
227.10774	6.5
243.10240	37.1
244.10617	2.7
284.74719	1.5
289.14209	1.5
332.17993	1.3
404.41718	1.4
405.15665	2.6
423.16675	21.4
423.22110	1.8
424.16534	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	423.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52600	0.2
55.01852	0.5
59.01377	23.5
60.94625	0.3
61.98821	0.4
69.03427	0.6
71.01022	0.5
71.01381	6.6
73.02944	25.6
74.03262	0.5
82.26318	0.3
83.01394	4.2
85.02930	0.7
89.02437	1.7
95.01382	0.6
97.02930	0.5
101.02445	11.4
102.02725	0.4
103.27464	0.3
111.04555	0.3
113.02459	2.0
119.03515	0.4
122.03763	0.3
125.02423	0.3
131.03482	0.4
143.03558	0.3
143.05022	0.7
149.04512	0.6
149.05994	0.5
155.03531	0.4
156.97491	0.3
157.06583	0.5
158.07394	1.6
159.08122	1.4
161.04552	1.7
161.06056	0.7
171.04433	0.6
173.09860	0.4
183.08099	0.5
183.55099	0.3
185.06071	9.8
186.06720	0.9
199.07591	0.7
201.09206	100.0
202.09547	6.0
219.10301	0.9
243.06633	0.7
252.62852	0.3
381.15707	0.6
406.74222	0.3
423.16663	13.2
424.17065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01380	50.8
61.98834	9.4
69.07690	10.8
71.01385	20.5
73.02946	34.3
80.91692	5.3
83.01385	7.1
85.02940	4.6
89.02450	7.6
96.96022	6.9
101.02441	18.9
113.02444	11.4
114.60643	2.0
119.03502	2.6
121.02949	6.6
122.03738	6.6
137.06082	28.0
161.04605	4.3
185.06091	8.6
191.05650	4.7
192.92262	2.3
201.09216	100.0
202.09540	7.1
217.08607	4.5
219.06371	2.9
246.08072	2.7
249.11229	2.4
387.10806	2.4
422.99792	1.9
423.17325	12.6
424.22922	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73171	6.6
59.01373	47.1
61.98823	12.0
69.79233	30.9
71.01376	22.5
73.02959	11.5
75.00846	12.7
85.02937	13.3
87.00873	11.8
88.98818	12.8
89.02472	13.0
93.03477	9.8
98.21920	17.4
99.00869	10.6
111.08150	44.0
113.02453	14.9
125.02451	11.0
127.55684	7.9
161.04482	8.1
173.08125	46.4
191.05580	16.8
196.96413	9.3
201.11385	10.3
261.13403	13.6
309.11945	30.9
406.22272	12.8
423.08459	13.1
423.15475	100.0
424.23251	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.3
57.03434	6.4
59.01377	100.0
61.98817	10.9
67.01865	21.2
69.47272	15.9
69.47633	9.5
71.01386	42.2
73.02936	13.9
83.01344	6.2
85.02945	16.0
87.00883	9.0
89.02448	20.7
93.03453	5.3
94.86890	8.3
96.99290	10.1
97.02922	7.7
98.21934	11.0
99.00877	8.0
101.02420	29.2
106.55444	5.5
106.69058	4.9
109.02980	5.2
111.03267	5.3
111.67278	5.2
112.01659	7.6
113.02470	25.7
116.92850	8.2
118.96470	4.8
118.98113	6.6
119.03465	11.8
125.02442	10.1
127.04011	18.3
128.04369	6.5
129.01886	6.0
143.03516	43.0
149.02368	6.6
150.03194	11.3
161.04488	13.9
165.05489	6.7
191.05600	13.4
195.06633	6.3
201.11287	23.6
202.71825	5.1
213.74963	5.2
261.13107	6.6
295.17343	14.3
309.15576	16.9
328.05011	4.6
363.20282	7.5
364.13943	23.3
423.17892	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	423.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	3.7
61.98844	5.9
69.03444	4.2
71.01384	21.9
71.41441	4.5
73.02950	4.5
83.01422	4.6
85.02940	9.2
86.22672	4.1
87.00882	5.3
89.02441	10.2
93.03477	4.6
99.79694	4.8
101.02415	10.5
110.94781	4.4
113.02442	45.5
114.87970	4.6
119.03481	4.6
142.16438	4.4
161.04556	7.5
173.11728	4.3
191.05618	9.5
309.15500	11.5
423.17780	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1812
Annotation	Abyssinoflavanone VII
Peak:m/z	Relative Intensity
59.01353	2.4
61.98828	86.8
69.75218	7.4
78.91705	2.3
92.71870	2.0
108.01462	2.9
108.02171	46.7
109.02964	21.8
115.60004	2.5
123.00865	2.1
123.04502	7.1
124.01727	2.2
135.04556	3.2
136.05296	9.4
138.18137	2.3
147.04506	4.3
148.05295	15.1
162.03233	26.7
162.83920	2.9
177.05574	58.2
197.06088	2.3
209.09796	2.7
211.07593	6.9
213.11232	3.5
225.09258	4.8
227.07161	7.0
227.10751	53.1
227.14445	2.6
228.11032	3.2
235.04868	2.2
237.09193	55.1
238.09627	3.6
239.07103	3.6
239.10789	45.3
240.04271	2.7
240.10982	2.4
243.45517	2.8
245.74860	2.2
254.05835	9.9
255.06578	29.1
256.06744	4.1
257.08197	11.2
257.11749	3.1
261.80829	2.2
269.08115	3.8
269.11829	6.5
271.06012	3.4
272.06741	2.9
287.09372	2.4
314.52551	2.1
345.11255	10.7
346.11935	4.1
361.14432	77.9
362.14783	7.7
363.16028	100.0
364.16272	9.6
393.13370	8.3
405.17075	97.4
405.22638	2.8
406.17245	8.5
423.18182	56.0
424.18231	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	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
56.96905	0.7
57.03448	1.4
58.00580	0.8
59.01378	100.0
60.01710	1.2
69.03441	1.3
69.36008	2.8
71.01382	14.4
73.02943	7.4
76.71683	0.7
83.01395	2.9
83.05009	1.1
84.04565	0.7
85.02952	8.7
87.00888	2.3
89.02452	7.1
96.96063	0.9
97.02933	0.9
99.00890	2.0
101.02435	13.3
109.02935	1.2
113.02435	5.8
115.03988	1.8
115.72747	0.7
116.92801	1.5
119.03519	2.7
125.02480	1.7
129.01994	0.8
142.58092	0.7
144.04332	1.4
159.03024	1.0
161.04591	2.4
175.04095	0.7
177.01839	0.9
191.05550	4.2
201.11354	5.1
224.96399	0.9
243.02946	1.8
243.12152	0.9
244.17113	0.8
255.03035	1.7
261.13333	1.6
262.07074	1.1
285.04010	1.2
297.04016	1.0
306.17035	1.5
309.12012	4.2
309.16165	0.7
313.03482	1.3
314.67886	0.7
345.15607	1.3
363.16583	97.3
364.16821	7.3
406.22357	9.8
423.07108	2.2
423.18564	2.2
424.23367	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	423.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44531	0.5
55.01876	7.5
57.03458	4.0
58.00602	1.2
59.01379	100.0
60.01692	0.9
61.98831	0.7
69.03435	0.6
71.01382	72.9
71.05021	0.8
72.01698	0.8
72.99313	2.0
73.02946	20.6
75.00888	1.0
81.03474	0.8
83.01385	11.9
85.02953	27.7
87.00881	3.5
88.98846	0.6
89.02445	52.0
90.02785	0.8
92.47204	0.6
95.01389	4.8
97.02954	5.5
99.00892	4.5
101.02442	84.6
102.02781	1.7
113.02454	33.6
114.02795	0.7
115.04008	0.9
117.05553	3.1
119.02641	1.0
119.03505	18.9
119.89382	0.6
125.02450	2.2
127.04003	0.6
129.01945	1.2
131.03510	3.5
135.04535	1.1
137.06061	1.1
138.01945	1.0
143.03516	9.2
149.04570	1.6
155.10768	0.8
159.02985	2.4
160.10744	0.5
161.03210	1.4
161.04556	28.6
172.48154	0.5
173.11832	0.8
179.03357	1.0
179.05611	22.5
191.05635	0.6
201.01695	1.2
221.06526	2.9
228.07880	1.2
243.10225	2.7
255.96394	0.5
255.99821	0.6
261.11182	0.9
261.13486	9.3
263.07678	2.3
295.17545	0.9
423.18533	37.1
424.18872	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	1.0
61.98813	0.6
64.71283	0.5
70.25092	1.1
71.01396	1.2
73.02959	0.8
82.45982	0.4
83.01389	0.6
85.81293	0.4
89.02474	0.6
89.34750	0.4
98.19197	0.4
101.02461	0.6
113.02468	0.8
119.04953	0.5
120.99664	0.9
304.11853	1.0
321.19174	0.9
322.13232	0.5
364.14319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	1.0
61.98813	0.6
64.71283	0.5
70.25092	1.1
71.01396	1.2
73.02959	0.8
82.45982	0.4
83.01389	0.6
85.81293	0.4
89.02474	0.6
89.34750	0.4
98.19197	0.4
101.02461	0.6
113.02468	0.8
119.04953	0.5
120.99664	0.9
304.11853	1.0
321.19174	0.9
322.13232	0.5
364.14319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01676	0.5
55.01878	5.4
57.03433	2.4
58.00592	1.0
59.01378	38.3
60.01707	0.7
69.03435	1.2
71.01380	45.7
72.01712	0.6
72.99310	0.7
73.02945	28.3
73.03362	1.4
75.00879	1.4
83.01382	10.2
85.02949	27.7
85.03468	1.3
86.00092	1.0
87.00876	2.8
89.02439	9.6
89.02956	1.0
95.01398	3.2
97.02942	2.3
99.00874	8.0
99.04514	0.9
101.02441	53.3
102.02770	1.0
111.00887	2.4
113.02444	19.4
115.03979	1.6
119.03515	0.7
125.02451	3.1
127.11289	1.0
129.01923	1.8
129.12877	1.2
131.03514	2.5
143.03484	2.2
149.04533	1.9
153.66882	0.6
159.02982	2.6
161.04550	17.1
171.14047	0.6
191.05606	0.9
233.06660	2.8
281.84427	0.6
286.05017	0.6
291.18121	73.2
292.18518	4.6
293.08823	1.5
335.16876	0.6
423.22336	100.0
424.22647	8.8
434.48148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50714	1.4
64.62656	1.3
69.23923	8.1
75.06217	1.5
78.95912	11.1
82.54509	1.4
88.55444	1.4
96.74583	1.3
110.98521	7.2
141.12701	1.5
147.60480	1.5
164.36755	1.5
167.01123	10.0
185.02223	3.3
249.94038	1.6
255.23277	100.0
256.23682	5.4
423.19330	2.8
423.25140	19.1
424.25681	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37008	0.4
59.68657	0.4
69.16225	2.1
69.31304	0.4
78.95903	19.6
98.21887	0.9
104.97442	0.8
107.29010	0.4
110.98529	9.9
137.00050	0.4
152.99577	5.0
167.01143	9.9
185.02139	2.4
255.23282	100.0
256.23633	6.5
355.12558	0.4
423.25162	22.5
424.25647	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98499	0.4
58.13488	0.4
70.95403	0.5
78.95895	8.3
90.17570	0.4
110.98528	5.6
116.92896	0.6
152.99574	0.7
163.11270	0.7
167.01105	4.3
171.99216	0.4
185.02180	3.4
193.28694	0.4
193.30667	0.4
247.17035	0.4
255.23274	100.0
256.23624	6.9
339.19971	0.6
350.64307	0.4
423.25085	16.0
424.25500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0881
Annotation	6-hydroxyindole-3-carboxylic acid 6-O-(6'-malonyl)beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.88107	0.5
53.33055	0.5
54.83897	0.6
57.03439	2.1
59.01369	2.8
61.98820	1.8
71.01385	1.2
71.43056	0.6
74.30640	0.6
83.01337	0.5
85.02952	1.4
87.00881	1.4
92.04549	0.8
92.05047	4.3
93.03477	1.1
101.02444	0.5
102.03483	1.1
114.05582	1.3
118.03016	0.8
120.04533	2.3
125.02460	2.3
128.03519	0.6
131.03769	0.7
135.04567	0.6
137.02385	1.2
144.04529	0.8
146.02498	4.3
146.06204	0.6
147.03326	3.0
148.04022	4.4
151.03951	0.8
160.04005	0.6
161.02386	0.7
173.04553	0.9
174.01952	1.4
175.02739	51.4
176.03516	100.0
177.00255	0.6
177.03819	4.1
186.05586	0.9
188.03548	1.5
191.05600	2.6
231.26039	0.5
276.15842	1.0
320.07715	1.5
320.18579	0.8
328.84637	0.8
338.08792	28.3
339.09024	1.7
380.09839	36.3
381.10147	4.0
407.07605	0.9
424.18994	0.7
424.23428	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	424.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57347	5.4
58.11957	7.2
59.01371	24.6
67.01876	10.7
69.03455	78.7
69.83152	13.1
71.01380	17.9
76.96035	6.3
80.42599	5.9
82.95417	12.3
85.02954	12.0
105.82094	6.8
111.00865	28.2
112.01665	100.0
113.02467	59.4
116.39551	6.9
118.87354	6.0
118.96663	8.4
129.05597	8.3
134.04729	33.8
157.01419	67.2
173.04553	8.5
175.37131	6.7
176.40523	6.2
189.29408	7.4
244.03722	12.6
345.31293	6.9
407.07584	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	424.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.4
60.53460	1.1
70.12152	1.2
72.41096	1.1
73.02931	1.5
73.14347	1.2
82.57269	1.1
98.21711	1.3
108.54743	1.2
113.20718	1.2
120.04497	1.1
122.06140	6.3
134.06128	1.8
135.06909	1.8
169.06596	3.4
171.05971	1.2
177.72112	1.2
181.06668	1.7
182.07509	1.6
183.04532	1.3
184.03987	1.6
195.08221	1.6
196.05978	1.4
196.07697	5.2
197.06044	2.4
211.07671	1.7
213.05664	1.8
223.07629	4.5
233.08000	1.4
234.05612	1.5
234.09184	1.4
236.07156	1.4
238.08727	1.5
239.07137	3.4
245.08540	2.1
246.05730	1.8
246.09142	1.7
247.06296	2.7
248.07220	3.2
248.10832	2.1
249.07843	1.6
250.08633	2.5
260.07178	3.3
260.10840	3.4
261.07974	2.1
261.11490	2.0
262.08701	9.8
262.12411	1.7
263.09323	3.0
264.10217	3.7
265.10904	2.1
266.08157	2.7
272.07050	2.1
273.08047	1.2
274.08752	10.2
274.12027	2.6
275.09525	3.5
276.10825	1.8
276.13910	6.9
277.07175	1.4
278.08310	3.9
278.11850	5.0
279.08875	8.0
280.09634	2.6
288.10248	12.1
289.11081	23.3
290.11783	1.7
291.09058	3.6
292.09808	8.9
292.13174	3.0
293.10461	5.8
293.13806	2.0
294.11328	1.8
302.11893	3.8
303.12778	2.6
304.13419	88.9
305.13950	8.9
306.11325	18.9
306.14755	1.9
307.11768	1.4
308.12891	1.6
308.16577	1.3
320.12949	9.2
321.13672	24.3
322.14056	1.8
336.15988	14.4
348.12415	20.6
349.12585	2.5
362.13953	1.2
364.11957	2.2
365.12653	27.0
380.15015	61.2
381.15305	4.8
424.14008	100.0
425.14328	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	424.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98828	100.0
66.10508	0.6
69.46946	1.5
69.47345	0.9
69.85101	0.5
72.64329	0.6
75.00874	1.9
82.95428	0.9
85.02971	0.7
93.03461	0.9
98.21814	0.7
101.80891	0.7
106.04239	0.8
113.02449	1.5
115.85741	0.5
124.65282	0.6
131.05017	0.8
149.06079	3.3
161.09755	2.3
169.64424	0.6
183.37085	0.7
191.05698	1.4
205.07135	0.6
205.08653	3.5
227.07120	3.0
263.09265	2.8
335.66733	0.6
433.62152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
61.98827	15.2
69.43909	3.8
69.44300	5.7
71.01343	2.6
82.95424	5.4
85.02922	3.0
93.22962	2.5
98.21880	3.8
101.02466	2.1
101.95408	2.2
121.02142	4.3
121.02966	64.2
134.03740	3.7
137.88031	2.0
150.03221	2.7
161.06055	4.0
172.83717	2.4
176.08429	84.1
177.09219	100.0
178.09485	2.9
191.63496	2.6
219.10277	6.9
231.10297	3.3
234.00291	2.4
257.81113	2.3
321.13242	3.9
343.14001	2.2
381.15509	21.2
382.15854	2.5
395.01273	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.1
57.03692	0.6
59.01147	0.7
59.01380	6.5
61.98823	2.0
69.03438	1.8
70.55720	1.1
71.05022	2.3
73.02941	8.3
83.05026	10.8
84.04552	1.5
85.02942	2.1
85.06586	5.7
87.00883	4.9
87.04515	2.5
88.04050	0.8
89.02443	1.0
93.03497	0.9
95.05006	0.9
95.98993	0.9
97.02937	1.6
98.22037	0.8
100.00409	1.7
101.02440	1.4
101.87031	0.7
109.06596	1.2
110.06096	1.0
111.04523	1.8
112.04073	1.0
113.09723	1.8
113.72525	0.8
114.05589	1.0
115.04034	4.8
116.92851	1.0
121.02980	1.7
121.66801	0.8
123.04555	1.0
125.15382	0.7
127.04024	1.7
127.07700	0.8
129.05586	8.4
134.03757	2.4
137.06082	1.1
138.55875	1.0
139.07664	0.8
144.03072	0.9
149.06174	0.9
165.12822	1.2
191.05585	3.1
191.14445	1.2
193.05052	2.1
250.14536	1.3
270.17203	1.1
306.20795	1.2
344.22470	1.1
362.23322	6.7
368.20779	1.2
380.20288	1.4
380.24481	4.4
389.21341	0.9
406.22357	12.4
424.23392	100.0
425.23611	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	424.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
59.01365	2.9
71.01370	2.9
71.05026	2.3
73.02941	26.5
77.78892	1.0
83.05017	2.7
84.04536	5.5
85.02948	6.2
85.06583	1.9
87.00877	12.5
87.04497	2.3
96.04540	4.8
97.02923	1.4
98.03738	2.2
99.04561	1.4
100.92618	1.3
100.93355	3.1
101.06041	1.5
101.93362	2.3
110.06120	2.0
111.08099	1.9
112.04044	2.9
114.05587	3.2
115.04002	11.5
115.92082	4.4
116.92091	2.4
116.92859	7.6
117.92892	3.7
123.08045	1.2
123.67834	1.2
127.03992	4.4
127.07636	2.2
128.07094	1.1
129.05542	2.6
134.03709	11.6
135.04076	2.2
144.04277	7.6
149.06050	2.7
160.01669	1.5
169.08659	2.1
178.02707	3.2
189.79790	1.1
191.05658	3.7
193.05040	13.4
194.05417	3.6
200.09247	1.2
203.74405	1.1
211.97116	2.1
217.96162	1.3
218.96700	1.4
228.98012	3.9
229.98224	7.2
250.14334	1.6
262.18021	1.8
262.95853	2.5
264.16037	1.3
274.21774	1.2
300.19781	2.0
300.23386	1.6
306.17068	10.3
318.20761	10.9
319.21255	1.3
320.18604	2.3
321.09766	1.6
322.10071	2.6
336.21829	7.5
338.19586	2.1
344.22330	8.4
362.19476	2.9
362.23389	11.0
363.23480	1.2
367.10349	3.5
380.20654	18.4
388.20105	5.1
406.02838	2.6
406.17572	1.2
406.22284	66.3
407.22543	6.1
424.23380	100.0
425.23636	10.4
438.02054	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	424.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11987	0.2
57.36058	0.2
61.98811	0.6
62.96390	0.3
63.42125	0.2
68.39619	0.3
70.17488	0.7
78.95899	15.9
91.41539	0.2
92.92780	0.3
98.21973	0.4
105.65209	0.2
122.00118	0.4
127.83681	0.3
140.01184	5.0
141.07011	0.2
152.99562	1.1
196.03786	8.6
214.04883	1.7
227.20143	100.0
228.20465	6.1
235.17560	0.3
253.42494	0.3
340.01572	0.3
424.24661	25.2
425.24966	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2491
Annotation	Lythranidine
Peak:m/z	Relative Intensity
59.01363	2.0
64.95196	1.5
78.91879	2.4
86.02061	2.1
86.02473	56.7
91.13897	1.6
125.03209	1.7
134.14900	1.6
147.08163	2.5
149.09686	2.2
163.11285	4.9
208.77451	1.5
212.02516	1.7
279.13464	2.0
280.14633	1.6
280.56552	1.7
290.59497	1.6
307.16934	2.1
309.22223	2.8
337.21701	100.0
338.22116	7.7
424.24896	79.1
425.25311	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.1
62.96400	0.9
78.95901	100.0
96.96947	0.8
104.18572	0.4
112.71571	0.4
113.02474	1.1
122.00140	2.7
140.01181	17.0
141.01512	0.5
152.99567	0.8
166.02853	0.4
196.03816	4.9
203.64400	0.4
247.62466	0.4
311.22208	2.9
322.66183	0.5
363.22955	0.9
381.24142	0.7
424.28299	90.1
425.28629	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	424.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16619	29.1
61.98821	34.0
65.51547	29.4
70.85754	42.7
78.95905	94.9
82.95393	51.9
88.23818	29.9
152.99582	100.0
218.21858	32.3
225.81342	26.8
236.67307	28.8
309.15109	35.3
316.60297	33.7
424.25302	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95113	0.5
57.03442	1.3
59.01368	2.8
60.99302	13.4
61.98824	10.4
71.01367	1.4
73.02935	1.3
73.98174	0.5
85.02934	1.0
85.06579	0.9
88.98801	100.0
89.02419	0.6
89.99136	0.7
90.36767	0.5
93.03434	1.0
101.02403	1.1
101.06065	2.0
101.53853	0.4
109.02975	0.6
112.04060	0.5
113.02441	0.7
115.03975	0.6
125.02434	2.1
129.05511	0.6
135.04524	5.1
137.02411	2.9
149.12106	0.5
151.03952	0.6
161.02434	2.7
161.04491	0.7
179.03470	5.0
184.70001	0.5
191.05608	3.3
273.03873	0.7
335.07736	5.0
406.22263	1.0
407.07642	2.3
408.23843	1.1
424.19119	0.6
424.23563	5.1
425.17310	1.6
425.23615	4.9
426.25049	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	425.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
59.01377	27.0
61.98817	3.2
63.55511	1.2
70.69398	2.7
71.01382	16.9
73.02945	5.5
82.95411	14.4
85.02945	5.0
87.04510	48.9
88.04872	2.0
89.02439	16.3
101.02448	14.0
113.02441	12.1
117.28970	1.4
119.03503	5.0
120.79066	1.4
124.92998	1.4
131.03502	100.0
132.03795	2.0
143.03481	1.8
161.04561	8.3
179.05594	13.0
183.94398	1.5
211.15894	1.5
221.06712	2.9
221.52773	1.4
311.09854	4.2
318.68283	1.6
365.17773	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	425.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
57.03434	0.8
59.01374	0.6
68.76312	0.2
69.03435	0.3
70.64721	0.2
73.02930	0.7
83.04995	0.4
91.04004	0.6
91.29025	0.2
99.76069	0.2
120.47133	0.2
142.38855	0.2
183.01346	0.2
279.26947	0.7
305.28577	1.4
307.30035	100.0
308.30386	7.8
351.29013	71.7
352.29346	6.6
353.30411	0.3
369.29990	2.5
370.30087	0.2
425.32697	19.8
426.33084	2.4
448.86826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20097	0.6
59.01373	1.8
61.98822	1.1
70.96284	0.8
74.21983	0.6
83.93084	0.7
90.73515	0.6
99.92581	100.0
100.92593	3.9
100.93256	0.8
115.92063	4.4
116.92842	3.4
166.54448	0.6
167.30379	0.6
171.13908	25.7
172.14308	1.4
193.64653	0.6
210.07014	0.8
245.15022	0.8
254.06142	47.2
255.06322	3.6
272.07138	0.7
329.12924	1.7
367.13705	0.7
426.20776	44.6
427.20905	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	426.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72733	36.4
59.01377	71.9
61.98819	100.0
62.69632	33.2
66.85305	38.5
75.85443	36.2
82.81065	35.8
83.62486	34.1
93.32269	35.9
114.07003	42.8
162.75851	35.9
302.21323	42.7
368.25909	43.1
378.31323	39.1
402.16986	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00346	0.6
57.03439	0.7
64.17930	0.7
69.47896	2.1
71.05013	2.9
73.02927	3.3
84.04526	1.2
86.06113	0.8
87.04495	2.3
95.05013	2.1
97.02950	0.9
98.03728	6.2
98.22616	1.5
99.85513	0.6
101.06078	1.3
112.04018	0.9
115.04007	0.9
127.04047	1.2
134.03749	0.9
153.45453	0.6
163.02655	0.6
191.05557	0.7
194.05373	0.6
198.11227	0.8
218.19167	0.9
297.69360	0.7
320.18442	1.0
346.23834	2.8
362.23215	1.1
364.24908	3.4
364.62830	0.7
372.21616	1.0
382.25894	0.7
390.22876	9.8
406.22171	1.6
408.23892	14.0
426.24969	100.0
427.25272	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	426.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01374	0.7
61.98817	0.8
66.03479	0.4
69.03452	0.5
71.01374	0.5
71.05008	2.4
72.99304	0.3
73.02943	13.3
74.78085	0.2
75.88062	0.3
83.05033	0.5
84.04540	1.0
85.02933	2.2
85.06591	1.5
86.06120	0.5
87.04500	1.5
95.05041	0.9
95.29360	0.3
96.04532	0.5
97.02937	0.5
98.03734	2.1
98.21883	0.6
99.04512	0.3
101.06081	0.4
107.05026	0.6
109.02939	0.9
110.03311	0.3
110.06145	1.4
111.08130	0.3
112.04049	0.9
114.05581	0.5
115.04012	3.4
121.06581	0.4
122.09760	0.6
123.04495	0.9
124.07637	0.3
125.02441	1.0
126.02779	0.3
126.05650	0.3
127.04005	0.3
129.05586	0.3
137.02448	0.8
137.06084	0.3
137.09715	0.4
139.11278	0.6
146.06088	1.0
148.07706	0.3
149.02470	0.3
150.02844	0.3
151.03992	1.1
152.04364	0.6
155.10860	0.4
163.04008	0.5
166.08733	0.8
167.03487	0.6
168.10269	0.6
168.99242	0.2
175.04012	1.0
176.04384	0.6
177.01932	0.8
178.02367	0.3
183.13943	0.3
187.03954	0.7
188.04285	0.4
191.05659	0.8
194.11835	0.3
195.13847	0.3
205.05128	0.3
230.05511	0.4
244.03673	0.2
250.14461	0.3
255.02998	0.6
256.03503	1.3
257.04138	0.8
260.20117	1.2
274.04315	0.7
276.19418	0.3
278.21259	3.4
286.04382	0.4
290.21155	0.8
292.19226	0.4
296.22400	0.4
304.19217	0.4
322.20215	1.1
328.22775	1.0
334.20596	0.3
340.09058	1.0
346.23926	1.8
362.23059	0.4
364.25043	3.0
372.21759	0.5
380.20538	0.4
382.10275	0.5
382.25949	1.4
390.22806	4.1
391.23267	0.3
406.22278	0.5
408.08044	7.9
408.23856	16.1
409.08368	0.6
409.24185	1.0
424.23260	0.4
426.24933	100.0
427.25226	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	426.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77760	28.2
59.01388	31.6
59.92386	22.7
61.98831	100.0
139.88156	29.0
182.13106	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09589	10.4
59.01374	100.0
61.98830	24.4
62.12873	11.7
70.10258	22.7
87.08772	10.6
90.31033	12.2
108.15421	10.4
152.31641	11.1
158.51469	10.8
185.91595	11.1
249.73395	12.2
293.20834	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	427.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54324	0.7
59.01374	16.4
61.98828	25.8
67.01891	1.4
69.61604	3.3
71.01382	10.0
73.02947	2.7
82.30650	0.7
83.01389	2.0
83.05009	1.4
84.95103	5.3
85.02943	9.5
87.00851	4.8
88.98795	3.2
89.02428	4.5
93.03452	10.4
95.01389	1.0
97.02901	0.9
98.21889	0.9
99.00866	2.0
101.02425	5.6
101.06068	1.0
107.05018	2.5
109.02977	1.9
111.04520	3.6
113.02451	5.6
115.04043	1.0
115.19531	0.8
119.03477	3.1
119.05037	3.2
121.02942	0.9
123.04520	0.9
127.04019	2.4
135.04514	20.7
135.05496	1.4
137.02440	2.2
143.03494	1.2
145.02965	1.0
147.04532	5.4
151.04012	5.2
152.01135	0.8
161.02443	22.0
161.04491	6.8
162.02835	1.0
163.04018	17.6
164.04500	0.9
173.02417	0.9
173.04515	8.1
174.03131	1.2
175.03995	15.4
176.04692	1.4
179.05615	1.1
181.03218	1.6
191.01811	8.0
191.05602	65.4
192.05887	2.3
192.99660	1.5
201.01923	1.3
209.02757	67.4
210.03090	3.4
214.94588	0.8
216.99637	2.2
221.08080	2.1
222.08461	1.0
223.06139	1.2
235.00685	15.1
253.01759	14.0
277.09265	14.1
378.99808	0.8
386.64816	0.8
391.12354	1.8
426.25052	2.3
427.07019	100.0
428.07361	8.4
437.04938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73427	6.6
53.55481	7.4
59.01380	21.7
59.74031	6.6
69.03452	16.2
70.57159	7.7
72.99317	7.8
78.95905	13.7
95.01344	9.7
96.96013	74.6
96.96956	32.9
97.02947	38.1
109.93297	7.8
114.93420	10.4
139.00366	12.2
140.98698	11.0
143.10753	12.9
145.19904	6.6
153.45944	7.6
182.99776	14.9
185.01306	30.3
190.56563	7.1
194.45966	6.6
211.13301	13.5
213.00867	8.9
221.76500	8.7
226.98718	10.0
229.14537	11.8
231.73466	6.6
238.98717	21.1
259.08557	17.3
263.05969	11.2
265.07578	55.5
267.09143	100.0
269.10727	16.3
275.29611	6.6
282.97656	11.1
290.21863	6.9
294.11288	7.6
297.09961	6.3
308.16681	11.1
309.10165	49.1
311.08234	14.4
323.08121	24.1
329.23303	72.0
339.11267	20.4
367.07086	24.1
367.18182	30.1
384.18491	34.1
410.52408	7.7
425.97299	7.4
427.20108	79.0
428.16977	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	427.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.2
71.01376	7.5
72.00901	21.4
78.95866	0.8
82.74911	0.6
84.95102	1.9
85.02944	2.6
87.00887	0.7
89.02439	9.8
91.05533	0.9
93.03458	2.2
96.95990	0.8
96.96941	0.9
99.04608	0.6
101.02419	4.3
103.05523	1.3
108.97192	2.6
113.02427	3.9
119.03502	3.5
123.04490	0.6
127.04024	0.7
127.96661	0.8
128.03513	0.6
128.55603	0.7
131.03482	1.2
133.02919	0.7
134.03751	1.2
135.04514	10.3
141.98209	3.6
144.71022	0.6
147.04504	62.1
148.04793	2.4
151.06047	5.1
154.97733	6.8
159.59599	0.6
160.93254	1.0
161.02431	1.9
161.04472	0.7
164.07143	72.3
165.07460	2.9
167.03516	0.8
173.04497	1.1
178.94289	1.4
179.03471	8.9
179.05583	1.8
187.98781	5.2
191.05594	16.4
200.98230	3.4
204.99016	1.1
216.99092	5.7
252.95874	0.8
261.96201	1.1
264.97897	2.4
308.03336	0.9
313.11334	20.1
314.11740	1.3
335.05612	2.5
353.08408	0.7
391.04297	22.2
392.04572	1.7
426.25229	3.2
427.11786	100.0
427.24771	2.8
428.12158	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	427.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50857	0.9
55.01877	1.5
56.68473	1.0
57.03441	2.6
59.01373	18.7
61.98817	2.3
69.03453	2.8
71.01376	50.5
73.02944	17.0
75.00838	1.3
78.46239	1.2
81.03439	1.2
83.01400	5.2
85.02945	21.4
87.00875	2.1
89.02441	8.4
89.16513	1.0
93.03487	1.8
95.01369	2.7
99.00867	6.5
101.02437	31.8
106.04256	6.3
107.05027	78.1
108.05359	1.7
113.01707	2.0
113.02444	28.1
119.03452	1.9
121.02953	1.8
135.02380	1.0
135.91443	1.2
143.03473	2.8
149.06116	1.7
151.03998	100.0
152.04350	2.7
159.02980	5.6
161.03197	2.2
161.04549	36.5
165.89435	1.0
179.05653	1.4
199.63129	1.1
238.65295	1.1
313.09286	17.8
382.35971	1.2
419.85635	1.0
427.12347	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
57.03428	1.8
59.01377	26.5
69.03438	5.2
69.56711	4.5
69.57056	1.1
71.01377	48.8
73.02938	14.7
81.03450	1.7
83.01371	6.0
85.02944	21.1
87.00840	2.3
89.02448	6.8
93.03438	1.3
95.01380	4.0
97.02934	1.5
98.21925	2.6
99.00866	5.1
101.01781	2.0
101.02435	27.2
106.04240	5.9
107.05023	83.1
108.05341	2.6
113.02454	31.7
124.07756	1.1
125.02386	1.5
143.03474	1.8
151.04001	100.0
152.04347	2.7
152.08418	2.5
153.09174	3.2
159.02953	6.3
161.04552	38.1
205.12535	1.7
205.87515	1.2
313.09286	19.3
314.09567	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	427.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88689	0.6
59.01377	60.9
62.83105	0.6
68.41206	0.7
69.81168	1.7
70.35323	0.7
71.01379	31.1
71.76752	0.7
72.00907	1.8
73.02946	2.1
83.01379	1.8
85.02956	5.4
87.00858	1.4
89.02442	42.6
89.71622	0.7
90.02779	0.8
95.01402	1.2
101.02440	21.8
113.02446	13.2
119.03498	17.0
125.47344	0.7
131.03502	2.7
131.44974	0.7
133.05058	0.8
135.91364	0.8
143.03516	2.5
147.04507	5.6
149.04524	1.2
151.06117	23.0
161.04572	2.7
164.07158	5.5
179.05588	12.6
313.11398	100.0
314.11777	4.0
317.58163	0.9
427.11267	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	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
59.46119	0.6
61.98825	1.8
69.46233	3.0
73.87181	0.6
77.78374	0.6
101.02474	0.7
106.04238	20.1
107.05040	2.2
113.02448	1.4
127.54569	0.7
129.10324	0.9
129.28172	0.6
130.08725	1.1
138.03195	1.1
150.03203	1.9
151.04143	0.7
153.59717	0.7
161.04483	1.1
161.09712	40.4
162.10037	1.5
178.26521	0.7
182.02229	0.7
190.68385	0.6
205.08678	100.0
206.09041	5.5
313.09302	0.9
392.24487	4.8
427.28934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03435	2.0
59.01378	49.7
61.98829	25.1
71.01382	31.4
72.99302	0.9
73.02940	14.7
75.00849	1.1
82.95451	1.3
83.01388	5.3
85.02952	13.3
87.00861	3.3
89.02435	15.0
93.03446	1.1
95.01373	2.0
97.02973	1.5
98.01300	0.9
99.00891	4.3
99.92569	1.2
100.93354	2.6
101.02444	27.4
103.04012	1.9
107.05032	7.3
111.00894	1.7
113.01231	0.9
113.02447	14.3
115.92063	2.5
116.92902	2.7
119.03502	1.1
119.05067	0.9
125.02431	1.5
131.03499	8.2
135.04524	1.8
143.03468	2.1
149.04558	2.2
151.03995	2.7
159.02997	2.4
161.02518	1.2
161.04559	16.8
163.03984	2.4
173.04558	0.8
175.03903	1.3
181.39751	1.0
191.05589	5.8
205.05148	1.2
209.02753	3.6
235.11862	26.9
253.01831	1.2
265.07150	1.7
313.09607	5.2
367.16071	100.0
368.16354	6.3
389.19998	1.0
427.07126	3.6
427.12451	2.2
427.17661	1.0
427.26199	1.0
440.14325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03459	0.9
59.01378	100.0
61.98843	2.1
63.01703	0.6
69.03470	0.9
69.44790	0.5
71.01379	20.6
73.02942	20.1
83.01382	4.2
83.69881	0.5
85.02954	5.3
87.00857	0.7
89.02428	5.7
93.03485	1.2
93.51900	0.6
95.01392	1.6
95.05015	1.0
97.02936	3.0
99.00880	1.4
101.02443	13.4
105.07102	1.1
107.05062	1.5
108.05851	1.1
111.04494	1.0
113.02454	10.9
113.06107	1.8
119.03514	2.2
122.03811	0.8
123.04532	1.6
123.08193	1.7
125.02497	0.9
125.06084	3.2
131.03522	1.0
131.31847	0.6
135.04500	0.9
135.08182	0.9
136.05342	2.1
137.02502	1.2
137.06116	1.5
137.80705	0.7
138.06876	11.7
139.07608	4.0
143.03471	1.7
151.04042	1.2
151.07652	9.1
152.04900	0.9
152.08426	23.9
153.09212	67.0
154.09535	2.8
159.02930	0.9
161.02548	0.7
161.04564	5.4
163.11273	1.2
165.09282	1.0
167.07172	0.6
179.05614	0.8
183.44727	0.6
189.09209	0.7
190.09921	1.5
191.05669	1.2
197.04550	1.6
202.55174	0.5
203.05687	0.9
205.12309	19.0
206.12730	1.3
221.08383	0.7
223.13379	9.5
266.10242	0.7
277.12827	0.8
367.17526	6.5
385.18814	2.7
427.12286	2.9
427.20187	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.91484	5.0
61.98825	7.8
71.01384	13.7
71.43406	5.2
72.99320	5.9
78.95920	9.4
94.92527	5.5
99.92576	8.1
115.00401	6.7
118.89999	19.0
137.54767	5.1
148.71898	5.8
152.99545	7.9
194.06737	5.4
293.21350	17.1
311.22260	72.0
311.25684	8.0
312.22412	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98828	3.6
69.33604	1.9
69.38257	8.4
69.40850	1.7
94.92538	2.2
98.22652	3.5
102.52068	1.8
131.77034	1.8
178.83159	2.0
180.74521	1.6
194.07193	1.9
217.82932	1.7
240.99471	2.2
281.43021	1.9
293.21164	8.0
302.43961	1.6
330.05679	10.0
350.67529	1.7
367.13440	4.8
406.98291	1.7
417.07751	1.8
427.30560	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05599	3.9
59.01377	100.0
61.98820	14.5
69.41407	10.1
69.41795	9.6
85.86113	4.0
86.46172	3.9
97.30303	3.7
177.30075	4.1
293.21164	12.5
362.23996	5.1
384.75571	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	427.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	74.8
61.98805	10.9
69.34611	49.5
91.04003	23.7
108.40121	11.5
145.65427	10.4
179.56662	9.8
193.53801	10.6
221.15439	100.0
275.16437	13.7
427.27243	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	427.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19382	12.1
58.02077	11.5
59.01382	21.0
61.98822	14.4
69.32965	24.2
69.33372	44.8
70.18046	10.9
74.39605	11.1
75.11674	15.8
84.80779	12.4
96.96014	18.6
101.44978	13.0
103.92491	11.8
117.02041	16.8
127.03999	17.8
139.11188	14.1
149.06058	12.1
158.84715	85.0
170.31947	12.8
211.72574	12.3
221.04492	19.6
300.12369	23.0
360.98972	17.7
376.01691	20.4
391.04114	57.2
412.98343	15.0
427.01025	15.6
427.27362	100.0
428.00565	18.8
428.17035	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.04536	1.0
57.08805	1.1
59.01379	100.0
61.98838	1.4
67.01890	1.7
68.01418	11.4
69.03453	1.0
69.20579	6.9
71.01383	14.5
73.02932	6.7
85.02921	7.8
85.34060	1.0
85.45055	1.1
87.00870	1.7
93.03455	13.3
97.02930	2.4
101.02448	4.1
107.85581	1.1
110.02469	4.2
113.02489	5.7
127.03918	2.1
135.04536	1.8
139.04076	1.6
142.40916	1.0
143.03506	1.2
159.04535	1.6
161.04579	10.1
169.06613	3.2
203.05588	7.1
223.06319	7.9
225.09190	3.8
227.07153	16.7
230.06703	2.3
239.07144	23.3
240.07533	1.9
250.08720	7.6
253.08693	1.3
267.06445	1.9
281.08182	5.2
428.17029	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	428.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98804	3.2
65.45000	2.1
68.01402	8.5
71.01373	16.0
73.02950	4.0
82.45550	1.8
83.01387	2.7
85.02955	6.3
87.00871	2.1
93.03462	16.4
101.02447	8.5
110.02457	5.6
113.02448	7.8
138.42392	2.0
161.04517	10.2
169.06586	3.5
174.33675	2.0
203.05536	4.0
223.06320	11.0
225.09212	26.6
227.07249	14.9
230.06892	2.8
239.07108	19.3
250.08722	8.5
261.22388	1.9
281.08237	2.5
327.22864	1.8
330.85208	2.5
389.26831	2.1
428.17166	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	428.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02601	1.4
54.72134	1.6
55.01885	9.0
59.01380	2.2
61.98829	2.5
70.79955	2.0
75.38855	1.4
87.04489	1.7
96.93537	1.4
99.18005	1.4
110.46332	1.4
111.00874	2.9
112.01663	3.6
113.11691	1.5
115.92129	2.0
116.92829	2.2
122.03724	1.8
124.01654	2.9
125.02443	4.1
126.17570	1.4
127.04002	9.8
128.47949	1.5
134.06117	2.2
136.01628	1.9
139.00374	8.6
139.03943	7.8
140.01190	7.5
141.01939	4.8
150.03163	3.6
151.04030	7.5
164.04782	1.9
167.03526	2.6
178.67659	1.6
179.13187	1.5
189.07938	3.4
190.12331	1.8
240.10274	3.0
241.11116	3.7
247.13455	1.5
252.13551	1.7
282.11246	4.4
296.12878	3.5
297.13641	4.8
308.16379	2.9
341.12677	12.3
352.15146	2.9
384.18069	6.7
428.17075	100.0
429.17374	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	428.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10788	2.9
55.01879	16.2
55.24434	3.1
59.01368	8.2
61.98819	3.7
63.45929	2.6
64.28450	2.5
64.42136	2.8
83.02517	3.0
110.11710	2.4
112.01658	43.9
116.58662	2.6
121.03016	2.9
122.03741	12.7
127.04002	88.0
133.03000	3.9
134.03720	3.7
139.00352	3.2
144.00616	17.6
150.03210	11.9
162.03241	17.9
177.05560	15.7
178.02690	3.9
182.28709	2.8
188.07164	6.4
189.01894	12.5
202.12323	6.9
214.79460	2.7
221.04547	61.4
222.04921	3.7
240.10435	2.5
300.12399	31.3
301.12891	3.7
308.16571	4.0
352.15436	3.1
372.75800	2.5
384.18066	8.8
428.17081	100.0
429.17429	12.4
436.30814	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	428.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49260	3.0
55.01875	28.9
57.32937	2.6
59.01365	12.5
61.98832	5.9
71.01377	5.6
84.02156	4.4
94.04286	3.9
95.01372	9.1
98.21784	5.3
99.92575	5.4
100.93369	5.3
102.05371	2.8
109.02968	3.9
112.01672	40.6
113.02448	10.8
115.92081	6.6
116.92847	14.6
123.04519	6.1
124.01659	6.8
125.02425	10.5
127.04008	100.0
132.25822	2.8
134.06148	8.8
135.04494	4.0
136.05315	4.7
136.07585	2.8
137.02438	3.5
138.03258	4.3
139.00359	12.6
139.04054	15.9
140.01178	4.3
144.00620	10.9
149.02438	3.4
151.04033	4.6
153.05609	4.2
159.99243	3.0
160.07681	4.4
163.04008	3.3
164.04796	12.2
165.05486	3.1
167.03458	8.1
178.91289	3.3
179.03534	4.8
180.04285	3.7
180.16777	2.9
181.05113	6.0
183.06613	6.7
188.10806	17.7
190.12373	11.9
202.12373	11.3
214.08888	3.7
226.08725	4.2
228.10161	3.6
228.13898	8.3
230.15552	18.9
234.11316	8.3
238.08727	3.4
239.09537	4.0
240.10268	5.7
240.13936	3.4
252.13974	8.7
254.11861	3.4
256.13452	20.5
267.08960	3.3
282.11395	3.3
293.14133	8.1
294.14929	4.6
296.13031	13.4
296.16122	4.7
297.13669	8.7
300.02448	3.2
300.12253	4.4
308.16537	51.0
310.14536	6.7
312.16058	4.8
324.16080	4.5
325.16544	4.0
327.53210	2.8
328.15253	4.8
338.14023	4.1
340.15369	5.7
340.19098	5.5
341.12589	5.0
352.15509	62.8
353.15811	6.3
356.11206	21.0
356.14911	15.8
384.14148	9.0
384.18338	52.6
385.18512	5.9
393.13632	5.7
400.14111	4.8
411.21170	3.3
428.12927	56.8
428.17200	100.0
429.17188	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	428.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19188	3.1
55.01880	6.2
59.01379	3.3
61.98835	6.1
65.71434	2.9
69.78808	3.1
70.86131	5.6
95.01455	4.4
112.01657	15.3
127.04020	25.7
128.91008	3.4
137.69337	3.0
139.00389	11.2
139.04053	10.9
144.00674	6.0
216.66937	3.8
221.04506	4.9
326.13800	6.5
384.18158	100.0
385.18460	12.6
387.92032	3.2
392.25159	3.5
428.17075	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	428.1711
Annotation	Periglaucine D
Peak:m/z	Relative Intensity
55.01870	4.5
57.42870	0.7
59.01380	0.9
61.98808	1.8
69.03438	1.7
79.01886	2.3
86.72735	0.8
95.01372	4.3
108.24159	0.7
109.02946	1.0
111.00894	3.2
112.01664	3.9
122.03787	1.3
123.04548	1.2
124.01657	2.2
125.02438	1.7
127.00401	1.1
127.03981	4.8
132.08244	0.8
135.04454	0.8
136.07672	3.0
139.00371	13.3
139.04005	11.6
140.01134	3.3
144.00659	0.9
150.03209	2.1
151.04002	0.9
152.04784	1.7
157.61078	0.7
161.45529	0.7
162.09216	4.2
167.03482	2.7
176.10822	2.8
179.03493	1.0
188.10847	1.1
194.16045	1.0
202.12364	20.8
203.12662	1.2
210.09224	1.4
212.07008	0.7
224.10846	1.1
226.08733	0.8
226.12291	1.3
230.15446	6.2
238.12410	2.4
240.10188	1.0
252.13963	1.7
253.11105	0.9
254.09427	1.1
254.11838	5.9
255.12263	0.7
265.11057	2.1
268.09814	0.8
268.13498	2.7
269.14105	1.5
280.13382	1.4
282.11398	1.6
282.14685	0.8
284.16458	1.2
293.14182	2.6
296.12921	1.1
297.13684	1.9
300.12488	1.0
306.15088	1.0
308.16565	16.2
309.16913	1.5
310.14471	10.7
311.14587	0.9
311.22150	0.9
324.15988	2.3
325.16797	2.1
326.13989	1.8
328.15448	1.3
340.19186	2.1
354.13565	1.1
384.18137	48.3
385.18478	4.5
428.17117	100.0
429.17419	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	428.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.9
59.01362	5.6
61.98825	1.3
63.72926	1.2
70.43653	2.3
77.03924	1.4
84.02158	2.4
84.04536	1.4
87.00837	1.3
97.02971	1.7
111.42053	1.3
112.01659	48.2
117.22685	1.1
118.04248	1.4
122.03718	9.0
127.04014	100.0
128.04346	3.8
133.02959	2.2
134.03755	3.2
135.00887	1.9
135.04608	1.6
137.02524	1.4
144.00636	19.7
145.01076	2.0
149.06094	1.5
150.03215	6.6
161.02432	3.7
162.03220	18.4
165.05510	3.5
176.07118	3.5
177.05533	13.4
178.02689	3.9
188.05463	1.9
188.07149	15.0
189.01942	12.0
193.05066	2.5
198.09193	2.2
221.04541	52.1
222.04768	1.9
256.13348	3.8
300.12387	55.8
301.12689	5.9
352.15567	3.3
384.18060	3.9
400.17493	1.5
428.17087	73.7
429.17596	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	428.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98838	15.2
69.93446	12.9
69.93813	14.9
91.81713	6.9
93.86565	7.0
151.02751	15.0
196.29521	7.8
226.92015	7.9
270.07678	11.5
302.10281	32.6
337.10870	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	428.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85570	0.2
52.46814	0.2
52.77465	0.2
56.91200	0.2
59.01381	100.0
60.01717	0.6
63.12815	0.3
64.38521	0.2
69.44267	1.0
73.02968	0.3
78.27272	0.2
79.73695	0.3
94.06509	0.3
98.21919	0.5
108.95829	0.2
193.05104	0.4
223.06253	0.4
259.00836	0.3
336.18353	0.6
454.81400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33709	0.4
52.39819	0.4
59.01377	100.0
59.34229	0.5
60.01728	0.6
69.49242	1.5
73.02942	0.7
76.50186	0.4
80.52740	0.4
108.02177	0.9
109.02946	0.6
118.42204	0.5
134.03741	2.2
148.21341	0.4
149.06131	0.8
152.01170	1.6
153.01964	0.9
153.88387	0.4
160.05943	0.4
178.02711	1.0
193.05095	3.6
199.78156	0.4
231.39464	0.4
279.07166	0.5
295.59332	0.4
315.07211	2.2
428.25385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75197	0.4
55.01889	0.4
57.03440	0.8
59.01378	2.3
61.98825	58.8
69.03448	1.1
69.16302	0.3
69.21674	1.7
71.01382	1.5
71.05012	1.9
72.00883	0.3
73.02939	4.4
76.04621	0.3
83.05028	0.5
85.02955	1.3
85.06588	1.6
87.04504	2.6
88.04036	0.5
94.70138	0.4
96.04551	0.9
97.02924	0.4
97.91872	0.4
98.03747	1.5
101.02456	0.8
108.02165	11.2
109.02949	7.0
109.41817	0.4
110.06126	1.1
112.04075	1.2
113.02477	1.5
114.05631	0.7
114.29079	0.3
115.04049	0.9
120.08211	0.3
121.02960	0.5
123.04517	0.7
128.03528	1.1
130.08733	0.6
140.23738	0.4
151.03989	0.6
152.01149	13.9
152.21562	0.4
153.01927	6.8
153.05563	3.5
161.04576	0.6
165.01933	0.8
166.08739	0.5
187.10828	0.4
191.05566	0.4
208.17015	1.0
231.21153	0.8
234.18608	0.4
236.53487	0.4
251.11275	2.0
268.55740	0.4
274.21851	1.2
292.22794	2.7
304.26205	0.4
304.95819	0.4
315.07190	19.5
320.22290	0.5
330.24490	0.4
332.16815	0.4
348.25369	5.6
349.25668	0.6
366.26453	1.7
374.23386	1.0
392.24377	11.7
393.24701	1.5
394.19540	0.6
408.23889	1.4
410.25436	24.2
411.26007	2.2
428.26465	100.0
429.10349	4.9
429.27005	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	428.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49009	43.3
55.60759	40.4
61.98815	100.0
70.29118	56.0
97.48415	43.3
98.21929	54.1
99.92585	97.5
104.43367	51.7
111.07262	48.0
141.35776	42.8
290.58923	51.6
344.33069	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25513	16.1
59.01373	32.8
61.98829	100.0
62.64877	13.8
64.34857	13.4
99.92564	27.6
118.89994	33.6
134.89447	15.8
184.47980	14.7
194.28429	15.1
197.55370	16.5
392.12634	16.2
428.16797	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	428.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06462	0.5
57.03436	0.6
57.58451	0.4
59.01378	20.5
61.98825	1.1
69.03422	0.6
69.31715	1.5
70.32343	0.4
71.05005	1.6
73.02950	2.7
85.02946	0.8
85.06577	1.1
87.00829	0.6
87.04510	1.9
96.04561	0.8
97.01244	0.4
97.02930	0.8
98.03750	1.7
108.02176	1.1
109.02970	0.8
110.06107	1.4
112.04037	1.0
129.05557	1.0
152.01181	1.4
153.01822	0.9
153.05557	3.3
154.41385	0.4
191.05643	0.9
199.83182	0.4
208.17079	1.3
231.21231	0.8
274.21802	1.0
292.22601	2.5
306.20868	0.8
315.07327	2.4
330.24088	0.5
346.23871	0.7
348.25391	5.5
366.26355	2.2
392.24435	10.8
393.24835	1.2
408.23837	1.0
410.25443	23.3
411.26025	2.4
428.26483	100.0
429.26981	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15470	0.8
54.44917	0.8
59.01374	1.7
61.98807	1.6
69.03434	1.3
69.09616	5.6
71.01373	4.0
71.54169	0.8
73.02940	2.2
85.02933	3.0
91.23897	0.7
93.42771	1.0
98.22624	1.5
99.00900	1.0
101.02450	2.3
101.45905	0.9
108.02168	66.4
109.02953	36.7
113.02444	9.4
114.82442	0.9
116.67487	0.9
121.02924	1.0
123.04491	4.0
125.75081	0.9
133.02985	1.1
138.03236	2.0
151.04024	1.6
152.01147	72.9
153.01938	31.0
153.05566	20.7
161.04533	1.1
163.04013	1.5
165.01871	1.6
167.03493	12.9
266.49417	1.0
276.73428	1.3
309.31802	1.0
315.07199	100.0
316.07700	5.9
362.89270	1.0
371.09647	1.1
387.69653	1.0
429.10339	26.8
430.10498	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	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53856	0.5
59.01370	1.1
61.98822	4.3
65.49230	0.6
66.25523	0.5
67.59058	0.6
69.03458	1.2
70.49249	1.2
70.49612	1.2
71.01382	3.1
73.02952	1.2
81.03455	0.6
85.02946	2.7
87.00885	0.8
93.03458	1.1
98.21999	0.8
98.86275	0.6
101.02434	1.2
108.02165	58.1
109.02957	31.1
110.03307	1.1
113.02437	5.9
121.02926	1.2
123.04509	2.4
128.03532	1.4
135.00925	1.3
135.04512	0.7
151.04030	2.4
152.01146	63.8
153.01941	30.6
153.05554	2.0
154.02214	0.7
161.04530	1.1
163.03990	1.6
165.01917	2.1
167.03474	8.3
279.10791	1.0
300.69708	0.7
315.07193	100.0
316.07541	4.8
428.26236	1.1
429.10318	26.2
429.26886	0.9
430.10657	2.0
430.94867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13835	0.3
58.81392	0.3
59.01378	58.2
59.51460	0.3
60.01711	0.3
61.98827	1.4
69.03446	1.9
69.36398	1.6
71.01374	7.9
71.01730	0.5
73.02940	3.4
81.03456	0.7
81.12135	0.3
83.01385	0.9
85.02940	3.2
85.44679	0.3
87.00874	0.4
87.04533	0.5
88.04034	1.8
89.02438	4.0
93.03478	1.2
95.01379	0.9
96.00931	0.7
97.02964	0.4
98.02486	0.6
98.22655	0.5
98.48023	0.3
99.00908	0.9
101.02441	5.0
101.72990	0.3
106.83461	0.3
107.05054	0.9
108.02171	59.5
109.02961	37.8
110.03319	0.7
113.02454	8.9
116.92852	0.4
118.98123	0.4
119.03530	1.7
119.05011	0.7
121.02956	1.2
123.00924	0.6
123.04523	4.0
128.03658	0.3
131.03503	0.8
131.44250	0.3
133.02930	1.0
135.00851	0.4
135.04523	3.2
135.62263	0.3
150.02826	0.3
151.04012	2.8
152.01152	66.9
153.01941	33.0
153.05545	6.5
154.02318	1.0
155.03432	0.4
159.02962	0.5
161.04538	1.9
162.05130	0.3
163.04001	4.0
165.01930	2.2
167.03467	2.1
177.01866	0.5
179.03409	0.4
179.05560	0.6
201.12553	0.4
205.08577	0.4
207.13922	0.3
220.37158	0.3
225.03984	0.6
279.14536	0.5
313.09265	0.5
314.09604	0.3
315.07208	100.0
316.07538	4.8
343.10098	0.9
351.14249	0.5
369.18942	0.8
375.66241	0.3
387.20200	0.7
394.19870	2.2
411.22537	0.8
429.10196	28.1
430.10468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12879	0.4
57.03437	0.3
59.01373	1.8
61.98830	0.6
69.03434	1.1
71.01378	2.0
73.02934	1.1
81.03445	1.0
85.02944	2.0
90.27615	0.4
93.03448	1.0
95.01362	0.4
98.22669	0.8
101.02430	1.1
104.39359	0.4
108.02170	55.1
109.02956	37.9
110.03281	1.0
112.01663	0.9
113.02449	4.8
121.02943	1.5
123.04562	1.8
127.03992	1.2
131.03528	0.6
133.02957	0.7
135.04503	0.3
137.02374	0.4
151.04044	1.7
152.01147	58.1
153.01935	32.7
153.02878	0.2
153.05493	0.8
154.02266	1.4
161.04596	0.7
163.03999	1.2
165.01869	2.0
173.04567	2.6
181.05099	0.5
193.05040	0.4
197.99611	0.3
225.04077	0.4
249.48787	0.3
271.08313	0.4
302.13992	1.1
315.07202	100.0
316.07462	6.2
356.55798	0.3
361.29794	0.3
367.10214	0.8
429.10330	28.8
430.10632	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	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
57.03449	0.8
59.01380	15.2
62.12872	0.5
69.03456	2.6
69.66490	1.8
71.01385	6.0
73.02935	2.6
81.03442	0.9
83.01379	0.7
85.02972	2.8
87.00935	0.6
89.02480	0.9
93.03469	1.1
95.01367	1.0
98.22559	1.1
101.02435	3.5
106.04267	0.6
107.05064	1.8
108.02172	40.2
109.02953	67.1
110.03294	2.0
113.02451	20.2
120.02169	4.2
121.02947	1.4
123.04501	3.2
133.02904	0.6
134.03642	0.7
135.04535	2.2
138.03233	8.2
139.03952	0.6
151.04022	1.7
152.01152	38.4
152.54784	0.5
153.01944	78.0
153.05568	100.0
154.02272	2.3
154.05943	2.8
161.04550	6.3
163.04010	1.2
165.01967	1.2
167.03487	3.0
189.64919	0.5
195.95207	0.5
203.42125	0.5
227.41667	0.5
271.08115	2.5
315.07217	83.4
316.07516	4.0
329.91071	0.5
429.10239	14.2
429.15750	0.9
430.10742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23427	2.7
55.11662	2.3
59.01382	2.7
72.29700	2.5
85.02954	9.7
85.63528	2.2
87.00874	100.0
108.02178	2.2
111.00883	10.9
112.01665	10.4
113.02489	2.8
126.42480	2.5
179.05557	2.7
191.05597	2.4
194.96956	21.2
232.92702	3.9
239.90727	2.4
250.99825	2.7
284.49219	2.6
326.89883	2.6
341.10818	9.6
356.91791	9.0
374.92932	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	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77034	0.4
56.48886	0.5
59.01378	10.0
61.98822	0.7
69.03472	2.8
69.34437	0.4
71.01376	4.9
73.02955	2.2
79.27428	0.5
85.02951	2.1
88.04026	0.5
89.02485	0.7
95.01375	0.6
101.02462	2.7
106.04245	0.6
107.05031	2.0
108.02168	6.0
109.02951	44.9
110.03233	0.8
113.02451	17.6
120.02164	4.1
123.04522	3.8
135.04532	1.2
138.03224	8.7
141.83498	0.5
146.28516	0.5
151.03835	0.6
152.01154	7.8
153.01947	60.0
153.05568	100.0
154.02258	1.8
154.05901	3.1
161.02330	0.5
161.04559	6.4
163.04593	0.5
167.03491	12.9
174.34137	0.5
177.70271	0.5
211.56544	0.4
246.64906	0.5
271.08221	1.6
281.66901	0.5
315.07202	26.2
316.07492	1.6
342.10535	0.5
383.29626	0.5
409.59280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08496	1.3
59.01378	20.9
61.98827	17.6
63.01096	1.3
68.64218	1.3
69.03433	2.8
69.07374	1.4
70.15181	3.2
70.15517	1.9
71.01374	13.5
73.02941	4.8
81.03445	1.5
83.01364	1.8
85.02935	7.3
87.00857	2.2
89.02448	16.8
93.03427	1.7
97.02901	1.7
101.02457	8.6
107.05029	9.9
108.02173	47.9
109.02956	72.6
113.02446	13.7
119.03432	2.2
121.02944	2.5
121.57497	1.2
122.03650	2.0
123.04546	6.8
133.02948	3.7
133.93576	1.5
134.03740	89.8
135.04532	73.0
136.04866	1.7
137.02466	3.3
149.06079	30.6
151.03990	5.7
152.01158	54.3
152.04677	2.0
153.01941	100.0
153.05565	50.5
154.02214	1.5
157.66919	1.2
159.02985	1.3
161.02466	7.0
161.04585	4.9
162.44710	1.4
163.03960	2.2
165.01976	2.3
167.03532	1.8
178.02713	22.8
179.05592	2.8
181.05081	2.6
181.79056	1.4
193.05060	35.0
194.05298	1.4
232.02147	1.6
267.08633	1.8
297.09717	10.0
315.07211	82.1
315.10489	2.8
316.07480	4.6
429.14313	65.1
429.26913	3.1
430.14566	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	429.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63901	0.7
59.01376	41.7
60.01719	0.5
61.98822	1.4
69.03437	0.7
69.07064	1.8
69.07498	1.9
71.01368	2.2
73.02940	2.6
74.15457	0.7
76.09534	0.5
77.33423	0.6
81.03461	0.6
85.02956	1.4
89.02473	1.2
93.03455	0.6
101.02466	3.0
108.02167	34.6
109.02953	17.2
113.02442	4.8
121.02968	1.3
123.04520	59.4
124.04855	1.2
135.04509	1.0
144.90611	0.7
151.04036	1.1
152.01147	35.9
153.01968	13.5
153.05568	100.0
154.05908	1.9
163.04008	1.1
167.03462	1.7
288.33939	0.6
315.07196	64.3
315.10840	24.2
316.07529	3.5
316.11160	2.1
325.95221	0.7
429.04471	1.1
429.10336	21.2
430.10657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19712	0.5
69.65040	0.5
70.76511	0.7
72.00907	8.0
74.02472	15.8
101.69579	0.5
108.02171	0.8
109.02909	0.7
116.05061	47.5
117.05388	2.1
129.05841	1.5
130.06635	13.0
142.06610	12.8
143.06956	0.6
152.01114	1.2
157.07687	1.7
159.09262	12.5
160.86330	0.5
161.04732	0.6
186.05557	2.5
203.08247	100.0
204.08583	4.4
204.25916	0.5
225.06432	64.3
226.06723	4.0
315.07169	1.6
429.15402	36.6
430.15524	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99154	0.2
52.95662	0.2
55.01627	0.3
55.01860	1.5
59.01376	0.7
61.98827	2.0
69.50982	0.8
83.79273	0.2
86.35099	0.2
93.03405	0.3
97.02975	0.2
135.04556	0.2
150.94904	0.2
169.06619	1.2
169.07835	0.2
175.53661	0.6
176.04079	1.0
179.03586	0.4
179.08652	0.8
181.10236	5.4
182.10368	0.2
183.08147	0.2
210.06789	0.3
223.07614	0.5
225.09212	100.0
226.09557	6.3
234.68394	0.2
249.09331	0.3
288.15945	0.2
350.91406	0.2
430.18839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43375	2.0
58.03626	1.9
58.07369	1.9
58.28910	1.9
59.01370	6.2
61.98832	12.9
68.35281	2.2
69.43990	7.5
84.93862	3.0
92.78049	1.8
98.22677	3.7
99.92583	51.7
100.92663	2.7
100.93362	40.2
112.01675	2.7
115.92072	62.7
116.92223	4.2
116.92859	100.0
117.92871	5.1
118.89962	3.0
121.36268	2.0
127.04064	3.5
181.33195	2.2
204.83139	2.1
224.06197	2.4
293.04852	13.4
303.59460	2.0
329.23163	4.9
375.12692	24.2
376.12881	3.9
385.18518	2.9
393.13708	34.3
394.13947	5.2
407.11761	9.7
411.14737	4.6
429.15952	44.0
430.16434	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30598	0.5
55.01887	0.5
57.03440	2.0
59.01378	100.0
60.01712	0.6
61.98820	2.0
69.16595	0.5
71.01378	14.1
73.02944	7.7
74.17837	0.5
83.01395	2.2
85.02955	4.1
87.00893	2.9
89.02444	8.1
93.03472	0.8
95.01421	1.1
97.06596	1.8
101.02448	8.7
106.30937	0.6
107.05034	4.9
112.01659	0.6
113.02448	6.0
119.03490	2.7
120.05884	0.8
127.04014	0.8
135.04538	1.4
137.09744	0.6
143.03535	1.1
153.01941	0.7
153.05576	1.2
154.99979	0.6
161.04648	2.9
161.09715	3.4
161.13361	1.2
163.11316	0.6
171.10338	0.9
179.05611	1.3
187.11234	4.6
189.09198	1.1
191.05624	7.1
203.10838	0.9
205.12404	2.4
207.10310	1.3
211.07840	0.8
223.13376	17.1
224.13753	1.2
225.15083	1.8
249.11420	1.9
255.06732	2.2
267.12369	18.1
267.15106	1.0
268.12930	0.8
291.58353	0.6
309.13644	0.6
369.15363	0.8
369.19269	2.7
387.20358	4.3
429.17563	2.0
429.22092	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32904	0.5
57.03455	0.9
59.01376	100.0
60.01712	0.9
64.13027	0.5
69.31824	2.2
71.01376	7.1
73.02948	1.8
83.01373	0.9
85.02963	1.2
87.00880	2.4
89.02428	5.4
91.11490	0.5
97.06584	0.8
99.92304	0.5
100.57156	0.5
101.02454	3.7
101.19209	0.5
107.05054	1.7
109.06516	0.7
113.02444	3.7
119.03508	2.3
120.05810	1.1
135.04562	1.5
137.09848	0.6
143.03589	0.8
159.11751	0.7
161.04616	1.3
161.09741	2.4
161.13339	2.5
179.05649	1.4
185.13448	0.5
187.11272	5.8
189.09244	2.3
203.10812	1.7
205.12318	2.5
207.10350	0.8
223.13365	17.2
229.12341	1.5
249.11380	2.3
267.12366	12.3
268.12817	0.8
283.65024	0.6
309.13489	2.4
310.13181	0.6
311.24271	0.6
339.14478	3.3
369.15463	15.0
370.16052	1.1
387.20380	0.7
429.17490	6.5
430.18097	0.8
447.99619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06519	0.4
57.03444	1.9
59.01377	100.0
60.01707	0.9
61.98835	0.7
69.03464	0.6
69.48132	2.0
69.48466	0.5
71.01379	15.5
73.02945	19.7
83.01385	4.5
83.05031	1.5
85.02950	3.9
87.00876	3.0
89.02444	9.7
95.01408	0.9
97.06611	1.9
101.02441	16.1
107.05012	4.1
109.02959	0.6
113.02446	8.9
119.03502	3.3
120.05819	1.2
125.02554	0.5
125.60548	0.4
131.03519	1.5
135.04536	1.3
143.03484	1.1
149.04597	1.4
155.03424	0.5
157.06563	0.5
161.04573	4.4
161.09706	3.8
161.13388	1.6
163.11296	0.9
179.05641	1.7
185.13354	0.8
187.11267	6.9
189.09207	2.6
191.05606	0.7
203.10782	1.2
205.12355	2.8
207.10298	2.2
221.06660	0.7
223.13400	25.4
224.13766	1.5
229.12370	1.5
249.11324	3.3
267.12372	26.3
268.12732	1.9
291.12488	1.7
309.13330	2.1
339.14609	1.6
369.15466	7.5
370.15701	0.6
429.17691	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
59.01376	100.0
60.35724	1.4
69.29616	2.3
69.30024	5.5
71.01383	13.9
73.02945	3.4
79.74983	1.5
80.09885	1.6
83.01375	2.6
83.05022	2.2
85.02964	3.1
87.00882	8.0
89.02441	7.6
97.06582	3.0
101.02414	8.7
107.05030	4.4
113.02453	6.5
119.03495	2.4
120.05824	2.9
127.24740	1.8
127.29346	1.6
131.03505	4.2
135.04520	4.9
154.01474	30.2
159.11650	1.7
161.09711	8.9
161.13359	5.8
161.21043	1.6
162.05580	1.5
163.11343	2.1
173.78891	1.7
185.13382	3.4
187.11255	19.8
189.09233	6.1
203.10786	5.0
205.12337	7.1
223.13373	66.5
224.13759	4.6
229.12326	5.9
249.11240	5.9
267.09473	3.5
267.12372	55.5
268.12714	3.2
291.12357	4.4
309.13431	8.3
316.06778	2.9
339.14523	11.4
351.90494	1.6
369.15515	55.1
370.15805	2.4
394.95496	1.7
429.17459	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	49.9
60.01713	2.3
61.98854	0.6
69.03429	0.8
69.45116	0.9
69.45504	1.7
71.01373	0.8
81.19421	0.5
85.02942	0.5
98.29720	0.4
100.43794	0.5
108.02172	11.0
109.02949	7.6
113.02451	0.6
129.07094	0.7
130.04251	1.7
130.08725	0.9
131.05032	14.3
134.03745	14.4
137.02469	0.8
137.06065	0.8
147.08128	1.5
149.06075	4.8
152.01144	12.9
153.01947	6.7
153.05525	1.0
171.08153	1.9
173.04588	0.7
174.06857	2.2
178.02733	7.6
186.06065	0.5
189.09204	12.1
190.09468	0.7
191.07126	0.6
193.05045	27.3
194.05446	0.8
207.10257	100.0
208.10596	4.8
217.89064	0.5
221.08197	1.9
229.85612	0.4
315.07230	20.6
316.07672	1.4
367.10312	1.4
385.91409	0.5
403.81442	0.5
429.10196	6.5
429.23770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
59.01379	100.0
60.01706	1.0
66.55289	0.4
69.44049	0.4
69.44370	1.9
71.01382	15.3
72.20161	0.4
73.02953	1.2
73.04101	0.5
81.03438	0.6
83.01407	0.7
84.38705	0.4
85.02941	2.3
87.00896	1.0
88.04057	1.9
89.02444	19.4
95.01385	0.8
96.00942	0.5
96.96027	0.7
97.02940	0.6
98.02500	0.4
101.02445	7.8
102.84453	0.4
107.05045	2.2
108.02176	2.2
109.02971	1.7
109.06626	1.3
112.01682	1.2
113.02454	7.9
119.03500	7.9
123.04542	1.3
127.04033	1.9
128.03600	0.6
131.03531	0.7
135.04544	4.4
137.06064	2.0
138.03241	0.8
143.03528	2.0
149.04596	0.6
152.01166	2.9
153.01981	1.5
153.05568	8.1
161.04553	2.8
177.02037	0.6
179.05609	5.8
179.07126	0.5
194.02243	0.8
199.30246	0.4
209.04524	0.5
228.30939	0.5
281.87006	0.4
302.14044	1.1
312.71469	0.4
315.07333	4.7
315.11002	16.0
316.07709	0.4
316.11401	1.2
351.14703	1.0
369.15817	0.9
394.19992	1.6
429.13965	3.6
429.23782	1.0
430.18472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53484	0.4
52.89667	0.4
56.20061	0.5
59.01377	100.0
60.01714	1.1
61.98827	1.6
69.03454	0.6
71.01374	4.6
73.02934	2.5
73.04072	2.9
76.72509	0.5
82.73032	0.5
83.01388	0.6
84.04554	0.7
85.02971	1.6
87.00888	1.3
89.02446	4.8
93.03488	1.7
98.22605	1.4
101.02447	2.8
102.05608	3.5
105.99910	0.5
108.02177	9.5
109.02960	11.4
113.02451	2.4
119.03495	1.4
123.04554	0.7
128.03539	9.7
129.10344	1.2
130.08739	2.7
134.03784	1.2
143.03481	0.6
146.04637	1.9
152.01151	10.3
153.01933	10.4
153.05611	1.9
161.04602	1.1
163.11307	2.3
169.09831	0.8
171.15010	0.6
173.04536	5.1
179.05606	5.8
191.05609	1.0
193.05133	1.0
199.18146	0.7
281.19980	1.0
284.92847	0.5
300.19284	3.9
310.18582	0.7
315.07227	19.6
316.07806	1.2
321.28772	0.5
322.18359	0.7
367.10428	1.5
369.15469	2.6
369.61859	0.5
385.24542	1.0
412.21201	2.2
429.09521	3.7
429.17877	4.4
429.23746	8.7
430.18030	0.7
430.23245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44822	0.2
52.48782	0.2
70.77476	0.3
84.93864	0.5
91.30821	0.2
92.82145	0.2
96.50340	0.1
98.95428	0.3
99.00873	0.3
99.92582	6.5
100.93360	49.0
101.93387	2.0
104.72964	0.2
113.92673	0.2
115.92072	100.0
116.92081	4.1
116.92863	7.5
117.92532	0.2
122.61750	0.2
132.92378	1.0
142.94440	0.5
149.43706	0.2
154.94411	0.5
155.95200	0.4
172.95470	5.3
227.27237	0.2
235.09029	0.2
255.23297	1.5
256.23602	0.2
299.07150	0.2
355.16025	0.4
371.15067	0.4
381.17389	0.6
411.18484	0.3
429.19427	5.2
430.19623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
56.37420	0.8
59.01372	7.0
61.31161	0.8
61.98817	0.7
69.48069	3.1
71.01383	5.4
73.02932	1.5
85.02934	1.5
87.42793	0.7
89.02435	1.0
101.02457	1.9
113.02432	4.2
116.02155	0.7
133.47482	0.7
151.66534	0.8
161.04527	6.8
163.14906	2.5
165.12860	4.4
207.13887	100.0
208.14241	5.2
248.55975	0.7
257.67001	0.7
261.63385	1.0
303.94595	0.8
369.19156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75740	0.4
59.01377	100.0
60.01720	0.6
61.98824	2.6
62.91904	0.4
69.45116	0.8
69.45515	1.2
71.01379	10.3
72.99314	0.6
73.02952	0.8
81.23715	0.4
81.29620	0.4
83.01398	0.5
85.02969	1.7
87.00884	0.7
89.02444	14.7
90.02817	0.4
92.20997	0.4
92.50339	0.4
95.01395	1.0
98.21847	0.7
101.02427	5.9
101.02996	0.5
106.31716	0.4
109.02954	0.8
113.02445	5.0
113.55415	0.4
119.03503	5.8
129.92586	0.4
131.03491	0.9
134.75526	0.4
137.09694	2.7
143.03531	1.0
149.04575	0.6
153.01955	0.8
161.04564	2.0
179.05573	4.6
205.08652	0.5
223.13441	1.5
267.12518	0.7
282.28342	0.4
305.21399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
57.03447	0.8
58.91183	0.6
59.01377	100.0
60.01713	1.1
61.88522	0.6
61.98841	0.8
69.03461	1.3
69.35316	1.4
69.35702	1.5
69.57344	0.6
71.01380	14.8
72.99342	0.5
73.02943	34.0
77.93276	0.6
77.97671	0.6
80.28478	0.6
83.01382	6.6
85.02941	2.9
87.04493	0.6
87.37115	0.8
89.02448	6.0
92.83793	0.6
94.96861	0.6
95.01376	1.2
97.02956	0.5
98.22721	0.6
99.00877	0.7
101.02436	23.2
107.13516	0.6
108.02163	0.7
112.01659	0.7
113.02453	9.6
118.33850	0.6
119.03513	2.5
127.04041	1.2
131.03532	2.2
135.04561	1.0
143.03542	1.5
149.04561	3.0
152.70926	0.7
155.03549	1.5
161.04593	5.2
162.72321	0.6
193.05122	1.1
315.07108	0.8
325.22382	0.9
393.17694	1.3
429.15805	0.9
429.26999	2.4
430.18692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
59.01378	100.0
60.01713	0.8
62.81925	0.3
67.40588	0.3
71.01384	5.0
73.02944	2.0
78.45483	0.3
82.07671	0.3
83.01397	0.7
85.02948	2.3
87.00899	0.4
89.02443	3.1
95.01408	0.6
97.02985	0.4
99.00879	0.6
101.02437	4.0
112.01679	1.9
113.02451	2.9
115.90274	0.4
119.03534	1.3
121.02962	0.4
121.06675	0.3
123.08221	0.5
127.04019	4.4
129.06734	0.7
130.08749	1.4
134.03760	1.7
137.09747	0.4
138.33600	0.3
144.00642	0.5
144.07761	0.4
149.06039	0.5
153.02013	0.4
153.05617	0.8
161.04581	1.1
163.11241	0.5
168.20410	0.3
178.02727	0.4
179.05643	0.3
189.12952	1.0
190.08742	0.3
191.05760	0.4
193.05136	0.7
207.13994	1.8
225.15001	1.2
257.43732	0.3
267.19656	0.3
279.14557	0.6
302.14032	2.3
315.11005	0.9
369.19180	4.7
370.19565	0.5
387.20203	2.9
399.22720	1.1
429.14172	1.0
429.23514	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	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
56.49253	0.2
57.03458	0.6
59.01377	100.0
60.01714	1.0
64.89153	0.2
65.60410	0.2
69.03458	0.3
69.13712	1.2
71.01378	11.1
71.05027	0.2
72.99326	0.3
73.02948	6.4
77.27538	0.2
80.91684	0.5
83.01392	1.7
85.02950	2.4
86.58630	0.2
87.00884	0.9
89.02441	13.8
95.01397	0.9
96.84140	0.2
99.00873	0.3
101.02440	8.8
107.05013	0.2
113.02447	7.1
113.74599	0.2
119.03506	5.8
119.04316	0.4
121.06614	0.3
125.02509	0.4
130.08818	0.2
131.03477	1.1
134.86609	0.2
137.09740	1.5
141.01732	0.7
141.09213	0.3
143.03482	1.8
149.04558	0.8
150.94360	0.2
155.82660	0.2
159.03047	0.3
159.87529	0.2
161.04578	2.5
161.09802	0.2
179.05609	3.9
179.08095	0.2
187.11357	0.7
191.05815	0.3
203.08171	0.3
205.12270	0.3
223.13354	2.5
225.14865	0.2
227.03444	0.3
249.11296	0.4
255.03041	0.3
267.12360	2.4
268.12567	0.2
279.14569	0.4
284.03470	0.6
287.48608	0.2
291.12488	0.3
297.96631	0.2
309.13519	0.4
339.14603	0.4
369.15259	1.1
369.19623	0.3
388.22269	0.2
396.04422	0.2
429.08459	0.7
429.21558	2.0
430.10516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	1.1
61.98835	0.7
69.03463	0.5
69.40871	1.6
71.01369	5.8
73.02946	3.3
81.03482	0.4
83.01385	0.9
85.02959	1.8
86.54070	0.4
87.00865	0.5
88.04058	1.1
89.02441	4.2
93.03460	0.6
101.02454	3.8
108.02171	15.1
109.02970	7.5
113.02430	3.6
119.03518	2.0
119.05063	0.5
121.02981	0.6
123.04519	24.3
124.04898	0.6
131.03523	0.5
135.04518	5.3
135.05476	0.4
143.03439	0.4
149.04597	0.5
151.04015	0.7
152.01155	16.4
152.02361	0.8
153.01953	7.4
153.05569	46.7
154.05942	1.2
161.04579	0.9
163.03992	2.4
165.01949	0.7
167.03465	2.1
177.02017	0.7
179.05669	0.5
180.99565	0.4
189.05499	0.4
205.08836	0.6
209.04527	0.4
315.07300	23.0
315.10959	14.4
316.07675	1.3
316.11108	0.8
326.19693	0.5
343.10483	0.9
394.19946	0.9
429.09470	4.4
429.15186	1.2
449.78946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01378	100.0
60.01707	0.8
61.98829	0.8
69.03470	1.0
70.49063	0.7
71.01382	6.5
73.02954	1.9
83.01385	0.6
85.02515	0.5
85.02934	2.3
87.00844	0.6
87.77473	0.4
88.04052	1.8
89.02451	4.5
93.03470	0.9
93.16401	0.5
96.00929	0.8
98.02470	0.7
99.00850	0.5
101.02438	4.3
108.02171	19.7
109.02956	15.1
113.02478	4.0
119.03527	1.7
121.03008	0.6
123.04530	6.7
135.04512	4.2
136.05034	0.5
151.04091	1.6
152.01154	20.4
153.01953	11.0
153.03123	0.7
153.05571	13.3
161.04623	1.2
163.04001	2.0
167.03519	2.5
179.05649	0.9
205.08623	0.8
207.13928	0.6
314.09659	0.6
315.07278	34.5
315.10825	6.3
316.07620	2.0
343.10422	1.1
387.20422	0.9
394.19888	2.5
411.22672	0.6
429.09869	7.6
429.23004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35824	0.4
59.01378	100.0
60.01702	0.8
61.60617	0.5
61.98841	0.6
69.27106	1.0
69.27509	1.4
71.01389	4.2
73.02953	0.9
83.01413	0.5
85.02957	1.5
87.00887	0.4
89.02448	2.5
98.21878	0.7
99.04546	0.9
101.02436	2.8
105.38793	0.4
107.05035	0.8
113.02439	2.0
119.03492	1.0
128.26318	0.4
161.04585	0.9
161.09781	0.7
171.10339	1.1
187.11359	1.2
205.12367	0.6
223.13383	4.2
223.15375	0.6
231.29243	0.5
237.19637	0.5
267.12384	2.5
291.12552	0.5
359.77145	0.4
369.15625	1.9
387.20255	1.4
402.65582	0.5
429.16989	0.5
439.27551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	7.4
59.01376	9.2
66.03479	0.7
69.30788	2.4
70.02967	0.6
71.01372	2.2
73.02955	1.0
73.04079	1.4
74.02482	1.1
77.55123	0.4
82.06593	0.7
84.04549	2.0
85.02956	1.2
87.00880	0.5
87.05636	35.2
88.04052	1.9
89.02453	0.8
97.04060	1.2
99.05643	0.6
101.02417	1.5
101.07211	2.2
108.25516	0.5
110.02488	4.3
111.01997	0.7
111.05627	4.1
111.09287	0.9
112.01694	0.7
112.04059	2.6
113.02460	1.1
113.07220	0.6
115.08776	2.9
116.07164	2.0
125.05936	0.7
125.07196	1.9
126.05612	1.6
126.06738	2.5
127.04041	0.9
127.05121	3.3
127.08760	1.5
129.06700	58.2
129.10345	1.8
130.05075	1.6
130.08734	100.0
131.09056	1.7
137.07262	0.9
138.05640	1.0
140.07196	0.8
141.06657	0.8
141.10368	0.7
143.08275	1.4
143.11899	1.6
144.07780	10.5
144.08841	0.9
150.07983	0.7
154.09854	0.6
155.08272	3.2
157.13472	2.0
165.10400	0.7
167.06982	0.8
167.08234	4.5
168.07759	3.2
168.09050	5.4
169.06146	0.8
169.09773	0.9
182.12958	3.0
183.14963	0.7
185.16580	31.7
186.08833	5.4
186.16963	1.0
187.07196	1.3
195.15019	1.3
197.13029	0.6
199.14531	0.5
200.14017	1.6
207.82750	0.4
211.14539	5.5
214.15590	3.1
224.14029	3.8
225.13400	0.7
227.46376	0.5
229.15546	17.2
242.18733	17.1
243.19066	0.7
254.18828	0.9
256.16742	0.6
267.14511	0.8
268.13028	2.3
280.12842	0.5
286.17664	2.4
295.21442	0.7
298.14163	1.0
298.17679	4.2
302.13950	0.6
313.22421	13.4
313.25964	0.9
314.22781	1.0
316.18872	0.6
355.23453	1.6
357.21451	2.0
369.19168	2.1
387.20285	3.1
390.91177	0.5
399.22467	81.8
400.22693	6.3
411.22455	9.3
412.22653	0.7
429.23505	99.7
430.23831	9.8
446.35333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07528	1.0
56.25855	0.9
59.01358	1.9
61.98814	2.0
62.54319	0.9
63.90718	1.0
67.30408	1.0
73.13267	0.9
74.81075	1.2
96.05356	0.9
130.35710	1.1
145.28185	1.0
216.47885	1.0
223.55162	1.0
251.23805	18.4
252.24019	1.6
293.24869	100.0
294.25241	7.6
295.22842	1.4
299.41956	1.0
311.25873	2.4
337.23776	5.4
368.91751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98825	1.3
69.35809	0.6
71.70912	0.5
74.85752	0.5
91.04032	2.7
93.10245	0.6
94.92503	0.7
96.96030	0.8
97.43435	0.6
148.64597	0.6
165.09337	0.6
195.13959	1.4
277.21884	0.9
295.22769	13.9
296.23419	1.3
391.24500	1.0
429.11075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17605	1.1
57.54191	1.0
59.01377	100.0
60.01722	1.1
61.98824	3.4
65.09610	1.0
69.39806	5.0
85.42342	1.0
91.04025	1.4
95.36013	1.1
99.49670	1.0
123.93645	1.0
131.76614	1.1
152.23372	1.1
171.42709	1.1
220.32562	1.0
277.21762	1.6
295.22781	9.5
332.16266	2.8
383.16953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3217
Annotation	oscr#32
Peak:m/z	Relative Intensity
51.32684	0.3
57.03428	0.6
59.01382	2.8
59.23248	0.4
61.98830	0.7
66.22916	0.4
71.46896	0.4
83.05019	0.5
89.02490	0.5
91.04000	1.1
98.21873	0.8
100.88786	0.4
117.45544	0.4
126.70436	0.4
157.65923	0.4
160.82835	0.4
160.84189	0.5
177.45529	0.4
233.67720	0.4
240.24886	0.4
265.25534	0.8
291.26987	1.8
293.28491	100.0
294.28796	7.6
311.29593	2.4
337.27472	50.3
338.27792	4.2
349.38956	0.4
355.28522	97.0
356.28864	8.2
429.32184	76.3
430.32510	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	429.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09228	1.2
59.01369	1.9
61.98802	1.5
69.95375	1.9
88.05914	1.1
97.96710	1.0
164.97911	1.2
191.09348	1.2
203.24472	1.1
226.94955	1.2
293.28476	97.1
294.28882	8.5
311.29312	1.8
337.27475	46.4
338.27792	3.5
355.28522	100.0
356.07297	1.5
356.28912	8.8
385.34561	2.9
429.32205	63.6
430.32693	7.9
432.57129	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	430.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	91.1
61.98822	4.4
72.49005	3.4
89.34839	3.9
96.65731	3.2
96.96021	22.9
98.22525	3.7
99.71797	4.0
99.92583	86.6
100.92646	3.6
100.93362	10.5
110.40899	3.4
115.92064	17.3
116.92842	21.3
118.89985	100.0
119.90760	12.7
134.89433	21.7
135.90239	24.8
168.98936	4.3
176.06297	3.9
222.08777	5.4
230.70865	4.0
256.03986	4.1
295.22708	8.0
298.01578	5.6
354.73734	3.9
376.13455	54.0
377.13739	3.9
394.09882	3.6
394.14468	45.9
430.12228	28.4
431.13138	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	430.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
59.01379	1.7
60.34435	0.2
61.98827	100.0
69.41242	0.7
73.75501	0.3
93.16092	0.3
108.84401	0.3
112.01704	0.4
113.07202	0.3
117.24982	0.3
125.36832	0.3
127.04029	1.2
131.47093	0.2
144.00545	0.4
217.13469	0.4
219.89473	0.3
261.12430	0.5
302.14087	0.5
392.24594	1.3
395.19330	0.5
431.17554	0.6
431.23108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.9
59.80614	1.1
60.69034	1.1
61.67317	1.1
61.98821	3.0
63.55996	1.2
68.99820	2.6
70.92500	1.3
73.02961	2.0
125.09709	1.6
126.82483	1.0
127.04037	1.6
141.01961	1.5
198.09097	1.2
199.07585	1.3
207.86981	1.2
214.08592	1.5
270.15076	1.2
296.16403	1.2
316.11792	2.4
324.16165	2.0
354.17169	3.5
385.15402	1.5
387.52960	1.0
400.17712	4.7
415.16489	7.1
430.18695	100.0
431.09692	2.0
431.18692	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	430.1869
Annotation	Oxyprotostemonine
Peak:m/z	Relative Intensity
55.01873	14.5
57.03439	0.7
58.01478	0.6
59.01379	7.4
60.96791	0.6
61.08237	0.5
61.98822	2.7
69.07568	3.8
69.81247	0.6
71.01371	1.0
73.02937	1.5
84.02155	2.1
84.04530	0.8
85.02933	0.7
87.00874	1.1
87.05629	0.8
88.78049	0.6
88.98782	0.9
94.55902	0.6
95.01614	0.7
95.79366	0.6
97.02946	1.0
98.21791	1.1
101.02397	0.8
112.01665	48.5
113.01988	0.7
124.07650	0.6
127.04012	100.0
128.04352	2.1
129.06689	1.2
130.07016	0.6
130.08754	2.9
131.09085	0.8
136.07658	0.7
139.66652	0.6
144.00638	15.0
148.07660	1.2
173.04634	0.8
175.06351	0.8
176.07162	0.8
178.08704	1.0
184.09779	3.1
190.08737	6.9
190.12471	0.7
197.98828	0.6
241.35069	0.6
258.14966	2.8
300.12369	0.9
302.13959	54.8
303.14243	3.4
304.59622	0.6
336.15988	1.9
354.17172	1.8
398.15964	1.5
399.22202	0.8
400.22809	2.5
412.22061	0.7
430.18668	2.7
430.24008	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	430.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	17.0
59.01358	0.9
61.98824	0.6
71.45154	0.6
73.02927	0.9
74.07829	0.5
76.39357	0.5
84.02173	2.7
84.04550	1.2
87.00864	1.4
90.13674	0.5
97.02937	0.8
99.00844	0.6
112.01660	43.3
113.02009	1.0
120.01258	2.1
127.04008	100.0
128.04356	2.2
144.00632	20.1
148.07698	1.2
172.07608	0.8
175.06377	1.6
176.07199	0.6
178.08829	1.0
188.07176	0.9
190.08713	7.5
190.12274	0.8
200.10847	0.7
204.13887	0.7
216.13850	0.6
258.14890	3.2
291.19690	0.7
292.16797	0.7
300.12286	0.7
302.13950	60.9
303.14383	3.4
309.20648	0.5
310.18045	0.7
336.15921	2.9
354.16885	2.4
368.18869	0.8
385.49521	0.5
430.18900	5.5
449.18658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.5
61.98822	2.5
65.34093	1.4
66.03487	1.3
71.05017	4.6
87.04493	4.0
93.85225	1.3
95.01388	4.6
112.01659	4.7
115.03998	16.0
122.03671	1.6
124.01650	3.9
125.02433	2.4
127.04001	13.7
139.00360	17.5
139.04021	5.6
150.03224	2.2
167.03474	1.9
167.07111	2.3
213.52750	1.3
219.34430	1.7
219.84492	2.8
223.09908	2.0
238.12347	4.4
276.16022	2.8
292.17099	2.2
296.12512	1.7
336.15784	2.0
368.18613	5.2
412.17749	6.1
430.18689	100.0
431.19177	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	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90236	1.9
55.01863	7.9
57.03448	2.7
58.14920	1.9
59.01378	100.0
60.01712	5.2
61.98811	3.3
71.01373	20.6
71.16888	2.5
73.02941	4.5
74.37370	1.9
83.01363	2.5
85.02955	10.7
87.00867	2.9
89.02445	13.0
91.20013	1.9
95.01399	2.7
95.05034	5.9
97.02953	2.7
101.02433	16.1
102.98611	6.6
112.01662	24.8
113.02456	15.3
119.03503	5.9
127.04008	51.4
135.04465	2.3
139.04012	64.9
141.55615	2.5
144.00648	7.5
153.00714	3.2
153.05592	2.3
153.07492	2.2
154.01389	2.7
161.04546	6.1
166.02615	2.5
179.05644	2.1
191.05637	11.0
192.06021	4.6
219.89815	2.0
231.10321	2.2
265.86786	1.9
280.14996	2.2
302.14017	10.6
316.06723	2.7
317.12515	2.9
334.92337	2.2
387.20148	7.1
431.23499	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	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91518	1.9
59.01377	100.0
60.01696	5.4
60.96655	1.5
61.98827	6.9
63.42186	1.7
69.22102	3.8
69.22512	8.1
71.01373	16.6
73.02927	6.0
74.29513	1.6
85.02958	6.7
87.04514	2.0
89.02435	9.6
93.03441	2.2
94.34714	1.9
95.05019	2.6
99.00871	2.1
100.17522	1.9
101.02439	13.6
102.98581	11.1
113.02442	11.1
119.03516	4.9
127.04039	3.3
139.04021	24.5
140.68752	1.9
161.04550	7.6
166.02730	3.4
179.05608	3.6
191.05626	7.3
210.61162	2.1
257.08102	2.6
298.30750	2.3
387.20135	3.9
388.20456	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	430.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87232	21.6
64.00673	22.2
66.88057	20.4
69.43777	100.0
76.49508	23.6
89.79678	20.3
109.02947	32.8
112.45605	22.4
116.92999	21.5
131.59683	26.9
137.15889	25.3
153.01930	32.6
287.10333	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	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35322	0.6
57.03442	1.4
59.01376	22.0
61.98829	8.7
69.45743	1.6
69.46152	2.1
71.01367	2.4
74.02489	0.9
79.38711	0.6
82.95463	0.6
85.02937	1.1
86.02432	0.8
87.00865	1.0
89.02464	2.0
93.07112	0.7
95.08692	0.9
96.04555	1.0
99.04525	1.0
101.02470	1.6
108.02151	3.1
109.02943	2.5
113.02488	1.3
125.09711	1.1
128.03526	1.6
136.07680	0.9
137.04837	1.3
139.04045	1.4
140.48088	0.7
152.01167	3.2
153.01880	2.6
154.05147	0.9
161.04584	0.9
169.08705	100.0
170.09052	3.0
182.01027	0.7
184.09877	0.9
191.05539	0.9
199.67496	0.8
210.11359	3.7
218.11827	0.8
220.13385	5.1
248.12912	10.3
266.13956	12.3
267.14334	0.8
281.12277	1.1
315.07321	1.5
316.07510	2.9
324.17911	1.2
352.17648	31.0
353.17902	2.3
370.18643	1.2
404.84827	0.8
430.09567	2.1
430.21063	0.9
431.11871	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	430.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04365	1.5
54.83720	1.6
56.65380	1.5
57.03450	1.6
59.01379	100.0
60.01720	8.3
60.01991	1.4
61.82472	1.4
71.01383	16.1
72.01694	1.7
73.02951	17.8
74.03283	2.5
75.27016	1.5
80.54040	1.5
83.01384	3.7
85.02934	4.7
89.02444	14.7
95.05035	4.6
101.02441	16.0
101.79070	1.9
102.02787	4.9
105.16851	1.7
113.02449	13.0
114.02795	3.3
119.03479	6.4
123.04538	2.6
139.04013	50.5
143.03473	1.7
151.78984	1.6
153.04382	2.0
153.05554	2.5
154.05907	3.1
161.04530	7.4
202.25119	1.6
387.20154	5.2
388.20621	3.8
430.18484	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	430.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15866	3.2
59.01371	16.6
61.98830	100.0
69.49312	15.0
73.99409	4.0
96.96013	20.4
98.95599	3.8
99.92579	29.0
115.92100	6.2
116.92881	9.1
118.89991	9.0
120.89703	32.7
134.68661	3.8
134.89474	4.1
136.89246	4.8
137.89955	6.3
247.16460	3.6
374.11923	10.1
392.13062	10.8
430.11060	7.7
431.18289	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	430.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75109	3.5
59.01370	10.8
61.98829	100.0
71.18501	4.5
87.00874	6.5
96.96016	7.2
145.02971	7.3
148.26802	3.2
180.32082	3.9
181.52881	3.3
203.83636	3.9
295.25781	3.5
357.07568	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	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
61.98821	1.6
64.11142	0.5
69.29229	2.5
82.67871	0.4
85.63727	0.5
88.98766	0.7
90.46780	0.4
93.03454	0.8
113.02453	0.9
141.09181	0.5
151.00368	1.1
151.03973	0.6
154.01421	1.4
155.01764	0.8
183.04495	1.2
191.05598	0.5
211.03998	1.8
227.03491	65.1
228.03894	2.6
231.10237	0.7
239.03548	0.5
255.02975	77.7
256.03619	10.9
257.04227	0.6
268.03705	0.9
269.04388	0.8
284.03262	74.5
285.03894	14.5
431.09796	100.0
432.10117	8.9
432.19754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01868	0.2
57.20379	0.2
59.01108	0.3
59.01375	3.2
61.98827	2.5
63.02382	0.8
64.18391	0.2
65.00043	0.2
65.00335	0.6
69.44372	0.7
71.01375	0.5
73.02941	0.3
80.59511	0.2
83.01378	0.8
83.79619	0.2
84.05156	0.2
84.28439	0.2
84.75677	0.2
85.02933	0.3
88.98798	0.4
89.02427	0.4
101.02454	0.3
107.01373	2.0
113.02436	0.6
113.07188	0.6
114.05575	0.4
115.31462	0.2
117.03442	1.9
121.02939	0.5
125.02402	0.5
127.03986	0.6
137.02373	0.3
139.04008	0.5
147.00737	0.2
148.01694	0.3
149.02441	1.6
149.99559	0.6
151.00371	2.8
153.01764	0.3
159.04526	0.3
165.05518	0.3
171.04498	0.8
172.05258	0.7
184.05264	0.3
191.05606	0.6
195.04431	0.2
196.05260	0.7
199.03987	0.3
200.04828	0.8
201.05519	0.3
211.03995	1.7
212.04691	0.5
217.13400	0.4
223.13321	0.2
224.13704	0.3
225.05499	0.4
227.03511	0.2
228.10207	0.2
239.03476	3.2
240.04253	4.3
241.04648	0.3
261.12457	0.4
267.02902	2.0
268.03757	100.0
269.04453	29.8
270.04837	1.3
283.06055	0.5
302.14059	0.3
303.14426	0.2
311.05481	1.1
329.15799	0.2
368.21591	0.3
371.12784	0.3
401.14410	0.2
431.09805	81.2
432.10132	6.2
432.19437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
60.06267	0.5
60.99305	14.0
70.03479	0.9
70.03813	1.1
71.01365	1.3
75.50314	0.5
87.00876	1.8
88.98804	100.0
89.02444	19.4
89.03006	0.8
89.99118	1.3
101.02448	0.5
109.97377	0.5
119.03488	0.7
153.01942	0.9
161.62674	0.5
179.05672	1.4
341.10837	3.3
342.11118	1.6
407.60632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64652	0.6
56.60196	0.6
56.75801	0.7
59.01387	3.8
61.98824	5.3
69.03439	0.6
69.23221	3.5
71.46964	0.6
72.65188	0.6
80.96532	1.3
88.98786	2.1
89.02435	1.2
94.77939	0.6
97.02935	1.2
98.21889	1.5
101.02391	0.8
121.02908	1.3
123.00875	1.0
124.01627	1.7
132.02161	1.6
133.02930	2.3
137.02411	0.8
138.03185	1.1
139.04036	1.2
139.84659	0.7
141.01656	0.8
145.02939	1.1
151.04065	1.0
159.86229	0.7
160.01669	4.5
161.02444	41.3
162.02963	1.6
163.03986	1.7
173.02409	4.6
174.03235	1.0
175.03995	12.5
176.04787	40.2
177.05165	2.1
188.04799	1.8
189.05545	2.2
190.02661	1.3
190.06360	7.4
191.03484	7.0
191.05217	0.8
191.05521	0.7
191.07135	6.5
200.04320	0.7
201.05605	0.8
203.07150	1.0
205.05055	9.4
206.05809	7.7
220.07411	2.4
221.08167	14.3
222.08417	0.9
225.09203	63.0
226.09567	4.3
241.05013	0.9
253.05075	3.1
253.08690	65.8
254.09212	6.7
265.04956	0.9
268.11029	100.0
269.04599	1.7
269.08679	1.1
269.11496	8.6
279.03122	0.9
280.04001	0.8
281.04504	2.7
284.06784	0.9
293.04401	0.8
295.06189	1.0
296.06894	2.4
297.03912	4.9
309.04080	2.8
309.39175	0.7
311.05551	3.0
311.09305	2.0
312.06351	4.4
324.06393	3.3
326.07895	2.1
327.08759	6.2
328.09247	1.1
339.08694	14.9
340.09085	1.0
341.10199	1.8
342.11014	5.3
354.11069	15.6
355.11429	1.0
357.13422	65.6
358.13858	5.7
369.13504	3.2
372.12289	1.3
387.14499	2.2
401.12247	2.5
413.12476	8.5
416.14929	0.8
431.17102	50.0
432.16870	3.6
435.82922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03427	0.9
58.00602	0.6
59.01377	64.7
59.50808	0.7
61.98824	3.1
69.17960	3.3
71.01379	31.7
72.99319	1.0
73.02943	1.7
74.13495	0.6
83.01375	2.1
85.02943	6.3
87.00866	6.9
88.98814	1.6
89.02441	30.3
90.98395	0.6
91.05518	1.6
95.01398	2.8
101.02443	21.1
113.02451	12.0
113.07224	3.6
114.02761	0.6
119.03496	11.7
120.99657	0.9
127.04041	0.8
131.03468	1.0
139.00380	0.7
143.03528	1.3
147.04486	0.8
161.02568	0.6
161.04492	1.5
161.87363	0.6
163.05875	0.9
164.07095	1.2
166.12320	0.7
169.09854	1.5
179.05562	0.8
181.05200	0.9
181.06935	2.4
217.13460	2.7
227.10858	1.6
249.06114	0.6
261.12482	2.6
263.09570	0.6
343.12167	21.6
344.12607	1.5
431.13788	100.0
431.22415	10.7
432.14075	9.3
432.19406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45956	0.5
57.67609	0.5
59.01376	6.8
60.83415	0.5
61.98826	3.0
65.72780	0.7
67.70307	0.6
69.44792	1.0
69.45198	1.9
71.01385	3.5
73.02921	0.8
76.88028	0.5
77.52676	0.5
79.58040	0.5
85.02947	1.0
87.04491	1.2
88.98795	1.6
89.02429	3.0
99.92563	0.7
101.02443	1.7
108.02183	1.4
109.02962	3.8
113.02437	1.7
121.02946	1.1
122.03743	20.5
123.04463	1.1
128.03528	0.7
132.53291	0.6
133.03004	1.4
133.05095	1.2
135.04520	1.0
137.02444	11.2
137.06085	5.4
139.04022	1.1
140.77646	0.6
149.06084	0.6
151.03995	1.0
152.01117	1.1
153.01904	5.7
153.05498	0.7
155.03513	0.6
161.04486	0.8
165.02014	0.6
166.02713	33.7
169.08681	6.4
170.09050	4.8
177.01884	2.0
177.05574	1.2
181.05057	16.4
191.05592	0.7
192.07889	2.0
193.08731	0.7
195.02966	2.6
198.01633	0.9
207.10249	1.9
210.08952	0.9
221.04530	0.8
236.06873	6.5
245.06216	0.6
251.09264	7.9
254.07944	9.8
267.14441	1.2
269.10291	100.0
270.10623	5.1
281.12332	2.1
317.08365	0.8
349.11475	1.2
353.18002	3.3
431.11856	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1555
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
54.17782	0.7
55.01875	9.9
57.03447	5.1
58.00586	1.2
59.01376	83.3
59.79216	0.8
61.98816	1.8
69.03430	1.9
69.43690	3.0
71.01379	86.3
71.33221	0.7
71.38733	0.7
72.01712	1.2
72.99290	2.4
73.02943	30.1
75.00850	1.6
83.01381	17.7
84.02171	0.8
85.02946	43.9
85.25565	0.9
86.03320	1.0
87.00874	3.7
88.98796	2.0
89.02439	27.5
91.17020	0.8
91.40462	0.8
93.03429	1.3
95.01385	7.1
96.95981	2.2
97.02941	3.6
99.00878	10.1
101.02437	100.0
102.02766	1.1
107.05036	1.1
112.01645	1.0
113.02444	43.1
114.02779	1.5
114.93375	0.9
119.03509	10.5
123.04607	0.7
125.02415	2.0
127.04006	4.2
129.01956	1.5
131.03455	2.2
135.04512	4.5
136.04883	0.9
137.02435	1.0
138.05615	1.1
139.04002	5.8
143.03482	8.6
149.04559	1.7
153.01918	0.8
159.02982	5.9
161.04546	42.1
162.04866	1.1
179.05582	5.0
191.05687	1.6
269.10294	63.1
270.10663	3.0
410.36554	0.9
431.15509	44.9
432.16049	3.1
455.10263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18671	0.4
57.03425	0.7
59.01371	0.8
61.98811	0.6
67.10680	0.4
70.58352	0.4
71.41093	0.5
71.41534	0.5
72.00902	10.1
76.36119	0.5
78.95892	0.4
87.00884	0.6
88.98796	2.5
89.02421	0.7
91.05551	0.6
96.00918	0.8
98.02419	0.4
102.05618	0.4
103.05521	0.6
115.08749	0.5
125.02452	3.9
128.03471	0.9
134.04706	2.9
137.02449	0.4
147.04514	31.1
148.04837	1.7
151.03999	1.1
161.02370	0.9
164.07152	100.0
165.07509	5.1
184.36050	0.4
191.05580	1.5
201.75749	0.5
201.80156	0.5
211.05090	0.9
239.04573	1.8
265.95898	0.5
289.07162	1.4
292.01163	0.5
379.00665	0.5
393.03937	0.6
396.96915	0.5
431.11032	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	431.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48941	0.1
55.01624	0.2
55.01859	1.0
58.82058	0.1
59.01381	0.6
59.28887	0.1
59.74219	0.1
69.24519	0.4
71.01402	0.1
86.75881	0.1
86.90474	0.1
91.05540	0.2
95.05029	0.9
95.35671	0.1
105.07093	0.2
122.03725	0.2
129.07161	0.1
136.05302	16.0
137.05634	0.5
138.03220	0.1
139.04060	0.2
151.04007	0.4
161.04596	0.1
167.08745	0.1
168.04265	0.1
169.06525	0.2
171.08153	0.9
181.10243	0.2
183.11766	1.0
185.09778	0.1
212.08458	0.1
225.09174	0.2
227.10765	100.0
228.11084	5.8
251.10725	0.3
267.72021	0.1
269.11786	0.2
307.38431	0.1
371.14996	0.3
387.14380	0.2
431.26547	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	431.1709
Annotation	Effuside IV
Peak:m/z	Relative Intensity
59.01382	0.8
61.98820	0.2
69.96557	0.4
71.01360	0.4
85.02940	0.3
90.88020	0.2
94.33976	0.2
97.44054	0.1
113.02426	0.3
127.04028	0.3
161.04503	0.2
209.09645	0.4
210.10497	1.8
211.07614	0.6
225.09219	2.2
226.09949	0.5
227.10861	0.3
239.07162	1.2
253.08694	5.9
254.09480	77.5
255.09814	5.0
268.11188	0.3
269.11826	100.0
270.12167	6.9
431.13721	0.4
431.23135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	7.5
59.01378	2.1
61.98497	1.1
61.98823	17.4
63.76707	0.7
69.74406	2.5
70.02961	2.4
72.00903	1.7
73.02943	0.8
73.04070	4.3
74.02467	3.9
79.20410	0.7
80.96461	1.1
81.04526	0.8
84.00897	0.9
84.04533	1.8
85.04062	2.7
87.05635	36.7
88.04013	1.0
89.05264	0.7
92.21513	0.8
97.04087	2.0
97.55595	0.8
98.22510	1.2
99.05650	1.5
101.07197	3.0
110.02496	6.6
111.01977	1.6
111.05653	4.3
112.04037	4.7
112.84738	0.8
113.03594	4.4
125.03552	5.2
125.07063	0.8
126.01995	3.8
126.06752	1.6
126.09274	1.1
127.00412	1.0
127.05130	5.7
129.06699	85.4
130.05078	2.3
130.08733	47.8
131.09058	0.7
135.04375	0.8
140.08247	2.6
141.06680	1.3
141.10300	1.8
143.04581	1.4
143.08218	1.9
143.11896	34.4
144.07791	6.0
145.06186	1.4
153.10257	0.8
157.49640	0.8
158.09305	4.1
168.07784	2.6
169.06128	2.3
169.09798	8.9
182.09277	5.2
183.11485	1.5
184.07275	3.2
185.12869	1.0
186.08788	2.9
187.07224	2.4
187.10876	19.3
200.10359	1.8
200.14049	23.8
212.14029	1.1
214.15573	10.2
217.08342	0.8
226.08311	5.1
236.13960	1.0
239.12672	1.4
244.12933	2.1
256.09393	14.1
256.12943	2.0
256.16620	1.6
270.89743	0.8
271.17755	23.2
283.11697	2.6
313.18719	3.1
315.16635	1.9
339.16705	1.0
357.17752	59.8
358.18143	3.9
369.17743	8.5
387.18823	100.0
388.19040	7.5
401.20517	6.0
413.20508	1.8
431.21390	43.4
432.21362	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	431.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	62.7
61.98814	32.2
70.26343	23.2
76.95943	23.2
88.98818	30.9
108.02189	41.9
109.02951	42.6
127.03969	32.9
141.25934	24.3
152.01079	25.9
153.01584	29.4
173.04518	100.0
174.04875	49.4
226.14435	24.9
297.37201	22.9
317.07678	90.4
368.10767	41.3
431.10477	30.5
431.19388	32.9
432.20190	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	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.40496	0.2
59.01366	0.4
60.04843	0.2
60.36029	0.2
61.53395	0.3
61.98841	0.3
62.61525	0.2
69.97639	0.3
72.76419	0.2
77.99745	0.2
78.95898	52.3
82.93732	0.3
96.95984	0.7
96.96310	0.3
96.96956	6.3
108.50123	0.3
109.64572	0.3
122.64232	0.3
150.98050	1.5
152.99579	100.0
153.99930	1.0
165.39322	0.3
171.00627	4.4
277.21695	0.7
326.35522	0.3
371.14627	0.3
431.21979	7.6
432.22357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03457	0.2
59.01378	100.0
60.01712	0.7
61.98843	0.3
70.23031	0.2
70.23359	0.2
71.01382	4.7
73.02948	1.5
78.07087	0.2
83.01390	0.5
85.02942	1.6
87.00895	0.3
89.02444	6.4
95.01399	0.5
95.05032	0.5
99.00887	0.4
101.02444	4.0
112.01669	0.4
113.02460	2.5
119.03507	3.0
125.02457	0.2
127.04032	0.3
128.28130	0.2
131.03537	0.4
139.04018	6.6
143.03545	0.7
149.04561	0.2
159.03061	0.3
161.04561	2.1
179.05627	1.9
342.76712	0.2
371.20773	1.2
389.22202	0.4
431.23071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76886	0.3
55.01870	0.3
59.01377	100.0
60.01716	0.7
64.00197	0.3
65.68616	0.2
69.39108	1.5
69.77000	0.3
71.01379	4.3
73.02953	1.0
76.68385	0.3
83.01379	0.5
85.02946	1.6
89.02444	4.8
91.79826	0.3
94.81679	0.3
95.01395	0.3
98.21883	0.7
101.02442	3.3
107.66551	0.4
113.02447	2.5
118.52226	0.4
119.03505	3.0
131.03535	0.4
139.04039	0.3
141.38586	0.3
143.03552	0.9
144.89218	0.3
161.04568	2.5
179.05652	2.3
194.18166	0.3
255.28912	0.3
371.20920	1.3
431.23175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
56.02763	0.4
57.03450	0.6
59.01378	100.0
60.01707	0.9
61.98826	2.5
71.01380	9.7
71.41399	0.7
72.08671	0.5
72.70098	0.6
73.02950	4.0
80.08923	0.5
83.01407	1.3
85.02939	4.8
87.00874	0.9
88.98822	2.0
89.02457	3.3
89.95451	0.5
90.11564	0.5
93.03466	0.8
95.01423	0.6
99.00897	1.2
101.02449	7.6
112.01781	0.5
113.02458	4.6
119.03528	1.5
127.03995	0.9
128.03555	1.0
130.08733	0.5
135.04530	0.6
143.03545	0.6
143.04608	0.6
159.03009	0.7
161.02512	2.8
161.04556	8.3
166.02702	0.7
173.04536	1.3
181.05055	1.1
209.15437	1.2
268.03665	0.7
269.04718	0.6
306.07578	0.9
371.20740	19.5
372.21112	1.0
389.21909	1.7
431.14020	0.8
431.18570	1.0
431.23541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.55840	0.4
57.03433	1.1
59.01377	100.0
60.01711	1.2
61.98833	5.1
69.03458	0.6
69.14566	1.5
71.01381	6.6
73.02940	2.9
79.21543	0.4
79.28917	0.4
81.03441	0.5
82.95432	1.0
83.01390	1.3
84.59107	0.4
85.02950	2.3
89.02441	4.1
93.03478	0.9
95.01388	0.4
95.05008	3.4
98.21890	1.0
99.00900	0.7
101.02446	4.1
111.08224	0.4
113.02444	4.6
113.06104	0.5
119.03534	2.0
139.04013	32.1
140.04379	1.0
155.10771	0.9
159.03035	0.6
161.04562	2.9
169.21858	0.4
179.05656	1.2
187.07677	0.5
191.05670	0.9
209.06329	0.4
227.07196	2.2
227.16493	0.5
231.10185	0.6
257.08377	0.8
371.20917	0.9
389.22009	0.6
431.22891	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21748	0.3
59.01378	100.0
60.01714	0.7
69.12299	1.6
69.12698	0.7
71.01382	5.7
73.02953	1.2
75.00876	0.8
81.03480	0.4
83.01394	0.9
85.02934	2.1
87.00847	0.5
89.02452	5.0
99.00925	0.5
101.02444	4.2
113.02461	3.4
119.03500	2.7
131.03529	0.7
137.09766	0.6
143.03525	1.4
149.04562	0.4
154.01453	3.9
155.01855	2.2
155.03191	0.3
155.03389	0.3
161.04568	3.8
179.05647	2.1
227.03595	0.4
249.06299	0.5
255.02946	0.6
269.13397	0.3
284.03448	0.6
345.72278	0.3
371.20663	4.8
431.09952	0.8
431.15582	0.6
431.22849	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45145	0.3
57.03461	0.4
59.01379	100.0
60.01718	0.9
61.98835	0.7
69.67188	0.3
71.01381	5.9
73.02949	1.8
83.01395	0.7
85.02958	2.6
87.00896	0.8
88.34195	0.3
89.02437	4.0
89.13906	0.3
93.03457	0.6
95.01394	0.6
99.00910	0.6
101.02434	4.7
101.03004	0.4
113.02448	3.6
113.58060	0.4
119.03506	2.7
135.04462	0.3
140.07574	0.4
143.03534	0.4
161.04552	3.1
179.05553	2.1
200.37738	0.3
206.19728	0.4
323.93198	0.4
330.10040	0.5
371.20670	5.8
371.24594	0.5
372.21100	0.8
431.22662	0.8
431.27664	0.5
432.16818	0.7
454.81863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
58.35243	0.2
59.01377	100.0
60.01721	1.1
69.07616	1.2
69.08014	0.5
71.01373	5.5
73.02948	1.8
83.01403	0.6
85.02951	1.9
85.33854	0.2
87.00908	0.3
89.02437	3.0
93.03484	0.6
95.01411	0.4
98.21912	0.6
99.00876	0.7
101.02442	4.2
101.84507	0.2
113.02437	3.1
119.03500	1.3
139.04008	0.3
159.02950	0.2
161.04538	2.0
173.04549	0.2
179.00365	0.2
179.05573	0.3
187.07672	0.9
191.05606	0.4
196.17816	0.2
231.06653	0.8
371.20734	3.0
387.10794	0.6
389.21790	4.3
390.22296	0.4
431.22226	0.5
431.27017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73230	0.8
59.01378	100.0
61.98814	1.7
64.91418	0.8
70.86818	1.2
74.41877	0.9
78.02808	0.9
80.68722	0.9
88.98820	1.1
91.03986	2.0
96.95976	4.3
99.92576	1.4
100.22914	0.8
100.23584	0.8
101.67349	0.8
113.16029	1.0
118.89957	1.2
121.94533	0.9
159.63019	0.9
221.80223	0.8
222.08673	1.1
253.25443	1.2
265.21683	0.9
277.25357	76.6
278.25626	5.2
293.24777	2.7
295.23010	1.9
295.26398	37.6
296.26688	1.9
297.24335	91.5
298.24683	6.0
303.23337	1.7
321.24307	14.2
322.24615	1.7
339.25314	9.0
357.26447	27.0
358.26630	1.4
395.14764	1.3
413.23758	1.8
413.29031	24.0
414.29349	1.4
431.30118	28.1
432.30347	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	431.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03230	1.0
56.97021	1.3
57.73682	0.9
59.01378	99.9
60.01707	1.6
61.98830	2.2
88.00719	1.0
91.04006	3.3
96.96011	3.2
111.58817	1.0
134.63135	1.1
145.02946	1.1
151.66869	1.1
168.91379	0.9
277.25357	84.5
278.25653	6.0
293.24823	1.8
295.23001	1.9
295.26422	45.6
296.26804	3.4
297.24344	100.0
298.24673	7.2
303.23358	2.3
321.24319	15.0
339.25381	10.7
357.26450	24.5
358.26944	2.5
384.14471	1.0
394.50119	1.1
413.29092	25.6
414.29544	2.4
431.24438	1.8
431.30130	30.1
432.30646	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	431.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69375	0.9
54.45728	0.9
57.03432	0.8
59.01375	1.8
59.82548	0.8
61.98816	2.0
63.22288	0.8
75.37733	0.8
109.67683	0.9
125.09730	1.0
127.11288	5.0
157.12285	3.1
167.14447	1.1
169.15935	1.8
197.15401	1.0
213.14925	4.6
225.14970	1.1
237.18533	1.9
243.15974	6.5
253.18150	1.4
255.19629	3.6
271.18854	0.9
395.31558	1.3
411.30789	1.0
413.32816	7.3
429.32242	7.7
430.32404	1.1
431.33710	100.0
432.34134	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	432.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89335	0.6
59.01377	38.3
60.01707	1.7
61.98827	100.0
63.91688	0.6
65.00299	0.6
69.49931	1.5
69.50313	1.0
71.01370	4.6
73.02943	7.1
83.01394	2.6
85.02979	1.4
89.02454	2.6
93.03484	0.8
95.01413	0.6
95.05019	0.9
101.02438	7.1
107.01391	1.0
113.02451	3.3
119.03548	1.6
119.05068	2.4
131.03510	1.2
139.04002	13.6
140.04350	0.7
143.03598	1.2
149.04552	0.8
151.00407	3.1
161.04552	3.1
235.09842	0.9
240.04141	0.7
268.03754	6.1
268.06128	0.7
269.04123	18.2
270.04895	4.1
271.06091	8.3
319.13986	1.2
432.10080	17.0
433.10565	1.6
433.28165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
59.01377	18.7
61.98828	100.0
65.99856	0.7
67.03002	0.6
69.03462	0.5
69.48445	1.8
71.01389	3.0
73.02945	6.1
73.04070	0.6
83.01405	2.1
89.02435	1.6
91.05531	0.6
101.02432	5.7
113.02444	2.1
113.07200	1.4
119.03453	0.9
122.03703	0.5
124.01604	0.7
125.02418	1.3
127.03964	0.6
131.03450	0.7
134.03542	0.6
137.06059	1.1
143.03427	0.6
147.04495	0.9
149.02339	0.6
149.04474	1.0
150.03185	0.5
151.03995	0.7
161.04533	2.1
165.05615	2.3
167.03410	0.5
168.06342	0.4
169.09784	0.7
191.05537	0.5
206.05659	0.5
217.13278	1.3
218.13605	0.5
261.12222	1.2
262.12454	0.9
275.11288	0.6
323.74805	0.4
389.22644	0.6
400.17313	1.1
431.22330	1.6
432.19662	16.3
433.20193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
59.84795	0.3
61.98829	100.0
69.12747	0.7
69.13152	1.0
71.01359	0.3
72.94626	0.3
77.41151	0.3
77.98770	0.3
95.25142	0.3
101.49064	0.3
111.04550	0.4
113.02450	0.3
117.71557	0.3
130.61179	0.2
135.04547	0.3
161.02397	0.4
165.05611	0.4
176.08401	1.8
189.09254	0.3
191.10829	0.9
207.10269	2.5
220.07393	4.6
235.09746	18.0
269.04245	0.5
270.08090	0.4
280.27448	0.3
284.82788	0.3
306.07776	0.7
358.21533	0.3
362.18631	0.3
369.15503	1.0
394.26038	0.5
397.15167	1.0
432.10486	0.4
432.20410	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	432.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	50.3
61.98828	90.8
65.41792	5.4
65.98761	5.3
68.99797	11.6
69.88087	5.0
73.02950	7.1
85.02952	7.1
93.03440	8.3
97.02919	12.2
98.22698	9.3
109.02931	5.8
109.62981	5.9
113.02448	11.1
121.02911	7.7
121.06568	9.2
125.02442	11.5
135.04492	6.1
137.02370	14.3
138.03206	22.0
139.00359	7.7
140.04112	5.4
141.87389	5.2
150.09286	6.9
151.03934	10.0
153.01927	7.3
153.05566	33.7
161.02417	20.5
162.03223	13.1
163.03989	25.2
168.04268	28.0
172.44019	5.7
173.04501	6.9
175.00377	6.8
175.03957	22.2
176.01128	19.1
176.04791	16.5
177.02003	6.4
177.05579	12.3
178.02625	9.8
179.03491	24.7
188.04878	6.4
189.05574	7.8
190.06332	22.9
191.03445	19.2
191.07092	22.4
192.04269	30.5
193.01396	25.3
193.03023	5.9
193.05022	17.9
194.05838	27.6
205.08679	26.1
207.06612	49.5
208.03789	25.3
208.07381	24.4
209.08167	31.6
223.06096	71.5
224.06854	25.6
240.04135	6.9
255.06548	23.3
264.12396	21.5
270.08606	8.9
271.09668	11.3
329.10284	13.4
344.12503	11.7
359.14960	100.0
360.15198	9.7
372.07578	7.1
385.12939	7.1
389.16064	30.5
402.12741	9.9
432.16003	18.2
432.20584	17.9
433.15140	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03130	0.8
59.01400	1.8
65.05869	0.8
70.61613	1.6
71.01372	1.6
80.00866	1.0
95.05080	1.0
102.80580	0.8
109.00706	1.0
136.05298	9.5
161.04506	1.9
201.99446	1.0
227.10776	100.0
228.11125	6.3
389.16110	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	432.166
Annotation	Tirandamycin B
Peak:m/z	Relative Intensity
55.01872	10.5
57.03465	0.7
57.35637	0.7
59.01376	6.1
61.82647	0.6
67.01879	0.6
69.06829	3.1
69.07234	1.2
71.01373	1.7
73.02940	1.1
80.36250	0.5
81.00030	0.6
84.02152	3.4
85.02966	0.9
85.84070	0.6
89.02442	1.1
95.05019	0.6
97.02955	1.2
98.21828	0.8
99.00893	1.0
99.92583	0.7
100.93357	1.1
101.02422	0.7
109.02956	0.9
112.01659	48.6
113.02524	1.4
115.92082	1.0
116.92847	7.9
119.03494	0.6
121.06596	0.9
123.04507	0.9
125.02406	2.9
127.04007	84.0
128.04349	2.2
134.06142	1.2
136.05215	0.9
136.07547	0.6
137.06067	1.1
138.05641	0.9
139.04012	3.5
140.04350	0.7
144.00647	8.6
147.08125	1.0
151.04019	1.0
156.06725	0.7
158.06017	0.8
159.08116	1.0
160.07634	0.7
163.07603	0.6
165.05548	2.0
171.08139	0.9
173.06081	0.7
185.06122	0.7
186.06931	1.6
186.09190	1.7
188.07220	0.8
189.05722	0.8
198.12875	0.6
201.09227	1.1
205.33624	0.6
210.09195	0.9
214.08737	1.3
214.12218	0.8
219.10562	0.6
226.08720	0.7
230.08243	1.3
237.58763	0.6
242.11884	1.3
250.12372	1.4
260.12946	0.7
266.12030	0.6
286.10812	2.0
304.11862	1.5
304.15387	1.1
310.13980	0.7
353.15985	0.6
414.15353	1.8
432.16541	100.0
433.04343	1.4
433.16595	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	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04180	0.2
57.03437	0.3
59.01378	26.4
60.01705	1.5
61.01805	0.2
61.98829	100.0
68.99809	0.4
69.03463	0.5
71.01380	3.0
71.40260	0.2
72.01727	0.3
73.02940	1.6
81.03466	0.2
82.95428	0.7
83.01389	0.6
84.95131	0.4
85.02950	1.9
85.20452	0.2
87.00876	0.3
89.02446	1.5
93.03477	0.6
95.01422	0.3
95.05009	1.0
99.00909	0.2
101.02445	2.5
102.02782	0.4
113.02451	2.1
114.02811	0.2
119.03522	0.8
127.00318	0.3
127.04025	0.2
136.81816	0.2
137.02373	0.3
137.38905	0.2
138.58476	0.2
139.04013	10.2
140.04361	0.7
143.03494	0.4
148.76057	0.2
149.56888	0.2
161.04572	1.1
162.04932	0.3
173.04610	0.7
179.05666	0.2
191.05591	1.8
197.11832	0.3
213.05501	0.2
217.10716	0.3
227.07108	0.3
228.07428	0.3
241.04935	0.4
256.07471	0.8
257.37372	0.2
258.08603	0.2
268.03696	1.5
269.04163	4.0
270.04895	0.8
271.09857	0.5
293.25272	0.2
318.16415	0.3
319.13983	0.3
372.21060	2.2
373.22363	0.8
376.94687	0.3
391.23093	0.3
415.27411	0.2
432.10007	3.5
432.20068	0.4
433.28699	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27102	0.3
54.05919	0.2
56.43400	0.3
59.01378	10.3
59.50503	0.3
60.01711	0.4
61.98829	100.0
70.05827	0.3
71.01382	1.8
73.02938	0.5
85.02969	0.7
89.02450	1.5
101.02457	1.4
113.02454	1.9
119.03499	0.6
126.96336	0.2
128.02138	0.2
139.04037	0.9
146.75275	0.3
161.04549	0.4
173.04532	0.5
191.05653	0.7
219.13922	0.3
256.07507	0.3
271.09763	0.5
302.55560	0.3
319.13867	2.9
362.05060	0.3
433.24326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
57.29559	0.3
59.01376	39.3
60.01710	3.0
61.98828	100.0
63.34221	0.3
68.99825	0.4
69.03429	0.4
69.45763	1.4
69.82158	0.3
71.01379	5.1
72.01736	0.6
73.02949	1.7
75.11131	0.3
83.01393	0.8
85.02945	2.1
86.99026	0.3
87.00887	0.6
89.02447	2.3
92.64156	0.3
95.01383	0.6
95.05039	1.5
101.02437	3.9
113.02451	3.7
114.02869	0.5
119.03499	1.0
123.39128	0.3
126.48738	0.3
127.03967	0.3
139.04007	13.4
140.04370	0.9
161.04611	2.1
162.04942	0.6
179.05637	0.4
191.05710	0.5
192.67986	0.3
197.11801	0.4
210.61086	0.3
213.05632	0.4
232.07043	0.4
241.05063	0.7
256.07498	1.4
271.09897	0.9
313.05081	0.3
319.14105	0.7
319.17883	0.4
371.21146	0.4
372.21030	4.1
373.22400	1.0
388.11200	0.5
433.23621	0.5
433.29242	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	432.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05896	0.7
55.01868	2.5
57.03441	1.1
59.01369	1.9
61.98826	1.1
64.97298	0.6
65.99838	1.0
69.16093	1.5
69.16494	2.5
71.05019	1.3
73.02941	2.8
85.02945	1.2
97.06606	3.3
97.58397	0.7
109.99364	0.6
111.04523	1.8
112.01677	3.8
113.02446	2.4
113.03855	0.6
115.04014	5.4
123.04457	1.1
125.02447	0.9
125.06087	5.9
127.03987	5.5
129.05579	4.0
138.03209	1.1
141.05553	1.2
143.07137	44.7
144.00632	1.9
144.07481	1.1
146.06027	1.3
149.09729	1.0
153.08290	0.6
157.09218	0.6
159.08051	0.8
162.09241	2.9
162.33096	0.9
166.97725	0.6
174.09239	1.1
176.10741	3.4
200.10829	0.8
202.12398	1.2
214.12379	1.2
240.14001	0.9
242.15540	5.8
256.13501	1.0
258.15051	2.1
286.14432	5.0
302.13852	3.5
304.15579	13.9
305.16287	24.0
306.16602	2.5
316.15512	1.8
320.15051	4.7
370.20120	1.7
382.16757	0.8
389.23093	0.9
400.17563	3.9
401.17667	0.7
414.19131	10.1
415.19250	1.2
432.20218	100.0
433.20572	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	432.2026
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
50.13055	0.6
55.01881	12.3
57.03434	0.8
59.01381	7.9
61.50689	0.5
69.03457	0.6
69.49197	2.5
71.01389	2.3
73.02958	1.0
76.97742	0.6
77.78964	0.6
84.02163	3.5
85.02968	0.9
87.00898	0.8
89.02454	1.5
96.96010	2.3
96.96993	0.7
99.00895	1.1
99.92587	2.0
100.93387	4.4
101.02458	1.3
109.02941	0.9
111.04597	0.6
112.01668	49.1
113.02493	1.7
114.93413	2.5
115.92064	3.9
116.92858	32.0
121.45750	0.7
123.04510	0.7
125.02422	1.2
127.04013	100.0
128.04330	3.0
137.06091	0.9
138.05579	1.0
139.04005	2.0
144.00644	12.4
153.01869	0.7
156.06595	0.8
171.08104	0.9
173.06030	0.8
214.08763	0.9
230.08180	1.0
242.11774	1.3
253.12196	0.9
266.11682	0.9
303.03348	0.7
304.11847	1.4
304.15405	2.1
318.02591	0.7
319.07120	0.7
329.03244	1.4
347.04300	1.3
379.24728	0.7
385.14584	0.6
389.05579	1.4
398.46100	0.6
432.16440	58.1
433.04373	4.0
433.16434	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	432.2028
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
55.01869	1.9
56.56158	0.6
59.01379	28.6
60.01709	1.9
61.98822	4.4
62.40402	0.6
71.01381	5.6
73.02951	2.7
78.48232	0.7
81.03444	1.6
82.02998	0.9
83.01401	0.8
83.60777	0.7
84.04552	3.9
85.02949	2.1
87.00865	1.4
89.02457	4.5
93.03428	0.6
93.49888	0.7
95.01383	1.9
96.02146	2.0
99.00903	0.8
101.02435	4.3
104.53881	0.8
107.01418	0.8
109.02952	2.0
111.04530	1.1
112.01678	1.8
113.02442	5.3
113.06062	1.0
115.04022	1.0
119.03522	1.7
121.02952	27.1
121.06606	1.6
122.03699	0.8
122.09756	0.8
124.01694	5.5
125.02428	5.2
127.03997	4.8
135.04510	1.5
136.05305	0.8
137.02446	1.1
137.06082	6.7
139.04018	4.3
143.03531	0.7
145.06586	1.0
147.04520	1.2
148.07639	0.8
149.02432	1.2
150.03217	1.2
151.00417	3.7
151.04019	4.3
153.05577	1.0
159.08144	1.0
161.04504	1.9
161.06073	1.1
163.00417	0.8
163.04106	1.0
164.04805	2.5
165.05557	15.1
166.08693	0.8
171.08159	2.0
173.06085	2.6
175.07675	0.7
178.06316	0.9
178.99860	1.4
187.07640	1.1
188.08400	1.2
189.05554	1.0
191.03421	1.0
191.05540	1.0
191.07170	0.8
205.05130	0.7
206.05849	0.9
215.07159	0.9
216.67496	0.8
217.05264	1.5
219.06648	1.3
226.02826	0.7
227.03471	1.0
233.08159	0.7
242.01944	0.8
243.02939	4.9
245.04697	0.7
254.02200	1.2
255.02989	9.6
271.02487	20.9
272.02991	1.0
283.02472	0.9
284.12845	2.4
299.01889	1.8
300.02734	35.6
301.03522	18.2
301.43808	0.7
302.13922	4.5
319.14084	1.3
338.17441	0.9
356.18729	1.4
400.17484	4.7
414.19321	1.7
432.20282	100.0
433.01672	1.3
433.07758	27.6
433.20004	9.0
433.25754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
56.56158	0.6
59.01379	28.6
60.01709	1.9
61.98822	4.4
62.40402	0.6
71.01381	5.6
73.02951	2.7
78.48232	0.7
81.03444	1.6
82.02998	0.9
83.01401	0.8
83.60777	0.7
84.04552	3.9
85.02949	2.1
87.00865	1.4
89.02457	4.5
93.03428	0.6
93.49888	0.7
95.01383	1.9
96.02146	2.0
99.00903	0.8
101.02435	4.3
104.53881	0.8
107.01418	0.8
109.02952	2.0
111.04530	1.1
112.01678	1.8
113.02442	5.3
113.06062	1.0
115.04022	1.0
119.03522	1.7
121.02952	27.1
121.06606	1.6
122.03699	0.8
122.09756	0.8
124.01694	5.5
125.02428	5.2
127.03997	4.8
135.04510	1.5
136.05305	0.8
137.02446	1.1
137.06082	6.7
139.04018	4.3
143.03531	0.7
145.06586	1.0
147.04520	1.2
148.07639	0.8
149.02432	1.2
150.03217	1.2
151.00417	3.7
151.04019	4.3
153.05577	1.0
159.08144	1.0
161.04504	1.9
161.06073	1.1
163.00417	0.8
163.04106	1.0
164.04805	2.5
165.05557	15.1
166.08693	0.8
171.08159	2.0
173.06085	2.6
175.07675	0.7
178.06316	0.9
178.99860	1.4
187.07640	1.1
188.08400	1.2
189.05554	1.0
191.03421	1.0
191.05540	1.0
191.07170	0.8
205.05130	0.7
206.05849	0.9
215.07159	0.9
216.67496	0.8
217.05264	1.5
219.06648	1.3
226.02826	0.7
227.03471	1.0
233.08159	0.7
242.01944	0.8
243.02939	4.9
245.04697	0.7
254.02200	1.2
255.02989	9.6
271.02487	20.9
272.02991	1.0
283.02472	0.9
284.12845	2.4
299.01889	1.8
300.02734	35.6
301.03522	18.2
301.43808	0.7
302.13922	4.5
319.14084	1.3
338.17441	0.9
356.18729	1.4
400.17484	4.7
414.19321	1.7
432.20282	100.0
433.01672	1.3
433.07758	27.6
433.20004	9.0
433.25754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72566	1.1
55.01879	10.3
55.04023	1.1
59.01376	12.8
62.72420	1.2
66.84131	1.3
69.56194	4.0
71.01372	5.8
79.85522	1.1
84.02161	3.6
85.10428	1.2
89.02422	2.6
93.96958	1.4
101.02437	3.0
112.01670	41.4
113.02472	3.0
116.92842	3.4
121.06579	1.9
123.00881	1.4
124.55888	1.3
125.02402	1.8
127.04012	78.6
128.04312	1.7
134.06111	2.0
137.02379	1.5
137.06020	1.7
138.05624	1.6
139.03995	3.3
140.04324	1.3
144.00697	6.9
149.02400	2.8
151.04054	1.6
158.06035	1.7
159.04454	1.3
165.05527	2.2
173.06027	1.3
177.05586	1.4
179.05621	1.4
186.06906	1.5
186.09262	1.8
188.23260	1.3
201.09137	1.4
214.08723	1.9
250.12311	2.2
320.12497	1.4
389.21869	1.4
422.37085	1.3
432.16550	100.0
433.16608	8.8
434.53262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72566	1.1
55.01879	10.3
55.04023	1.1
59.01376	12.8
62.72420	1.2
66.84131	1.3
69.56194	4.0
71.01372	5.8
79.85522	1.1
84.02161	3.6
85.10428	1.2
89.02422	2.6
93.96958	1.4
101.02437	3.0
112.01670	41.4
113.02472	3.0
116.92842	3.4
121.06579	1.9
123.00881	1.4
124.55888	1.3
125.02402	1.8
127.04012	78.6
128.04312	1.7
134.06111	2.0
137.02379	1.5
137.06020	1.7
138.05624	1.6
139.03995	3.3
140.04324	1.3
144.00697	6.9
149.02400	2.8
151.04054	1.6
158.06035	1.7
159.04454	1.3
165.05527	2.2
173.06027	1.3
177.05586	1.4
179.05621	1.4
186.06906	1.5
186.09262	1.8
188.23260	1.3
201.09137	1.4
214.08723	1.9
250.12311	2.2
320.12497	1.4
389.21869	1.4
422.37085	1.3
432.16550	100.0
433.16608	8.8
434.53262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09121	3.2
59.01383	6.4
61.98828	100.0
66.37120	3.3
71.14620	4.3
80.51434	3.7
86.87483	2.9
89.57838	2.9
92.95358	2.8
102.98859	3.1
152.99486	3.8
156.61008	2.9
192.95880	5.5
369.86169	3.3
396.44803	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	432.9336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27023	0.3
55.95440	0.4
69.39363	0.3
71.01363	0.8
85.02938	18.7
87.00854	1.0
87.04508	3.2
92.29777	0.3
93.26720	0.4
98.22620	0.8
102.94382	0.8
111.00854	0.6
112.01654	0.9
115.03993	0.8
116.03475	0.5
140.01138	1.3
141.01927	0.3
152.99573	2.4
159.02971	0.8
166.97536	0.5
168.99069	0.6
181.01231	0.9
194.97009	1.0
196.98549	100.0
197.98882	3.0
198.57611	0.3
198.98352	1.2
234.94194	1.1
252.95200	10.0
254.97038	1.8
290.90802	1.1
296.94095	1.2
306.98141	0.6
320.97754	1.6
358.93417	6.9
360.95004	5.2
376.94400	10.1
378.96072	14.3
379.96121	0.7
388.94473	1.0
390.92810	0.5
392.94089	0.8
404.93658	0.4
414.92560	0.6
420.93307	2.1
422.94952	3.4
432.93402	48.1
433.93491	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	433.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45490	0.4
50.82249	0.4
59.01377	2.8
61.98820	0.7
63.11440	0.4
71.01372	1.4
71.39308	0.5
73.02972	0.5
85.02978	0.5
87.04502	2.8
89.02452	0.6
90.97144	1.0
93.03460	0.4
96.96017	2.9
97.75259	0.4
101.02427	0.6
113.02459	1.7
116.92861	1.3
117.52660	0.4
118.96645	1.1
119.90516	0.5
121.02939	0.6
124.35162	0.5
131.03526	3.8
134.99483	0.5
153.05563	0.7
158.99759	15.7
161.01341	5.1
182.02281	0.5
186.99242	100.0
187.99599	2.1
197.04523	2.6
198.10652	0.5
211.02867	0.6
230.98181	0.7
239.70924	0.4
255.01820	0.5
283.01398	3.5
301.02414	51.4
302.02740	2.8
316.99728	0.5
389.96387	0.4
435.13474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0774
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.81135	0.4
59.01377	10.0
59.06919	0.4
61.98812	0.6
65.00310	0.7
65.75509	0.4
69.24152	2.1
69.75964	0.4
71.01369	4.0
73.02915	0.8
83.01377	0.8
83.05000	0.4
85.02950	2.0
89.02443	2.4
95.01353	0.6
99.00869	0.7
101.02441	2.2
107.01387	1.6
108.02176	1.6
109.02944	1.1
113.02435	3.0
119.03506	1.4
121.02967	1.6
125.02400	0.4
125.76496	0.5
127.00381	1.3
135.00871	1.1
137.02429	0.5
139.03970	0.6
148.01662	1.7
151.00346	5.5
161.04552	1.3
163.00362	1.2
164.01242	0.7
165.29115	0.5
172.12189	0.5
178.99843	2.7
179.05685	0.5
191.05647	0.4
199.04002	0.6
211.04024	0.4
216.04491	0.5
226.02750	1.9
227.03554	2.6
236.04901	0.4
243.02977	10.4
245.04808	0.5
254.02173	1.6
255.02963	21.5
256.03418	1.2
271.02469	50.3
271.19217	0.7
272.02960	4.0
273.04025	0.6
281.06622	0.7
299.01974	1.2
300.02734	100.0
301.03427	26.7
302.03757	1.3
319.13818	0.6
358.20251	1.8
389.12323	0.5
402.19415	0.6
433.07721	64.0
433.24786	3.4
434.08011	4.8
434.21780	2.2
445.33499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.17970	0.4
55.01874	0.6
57.03452	0.4
59.01381	2.5
61.98812	1.4
63.02390	2.7
65.00320	6.0
65.99831	0.5
67.02985	0.5
69.50973	0.8
69.51373	1.5
83.01382	3.3
93.03450	7.5
107.01390	11.5
113.02422	0.8
119.05017	36.7
120.05357	1.3
121.02965	0.9
125.02422	1.4
131.01424	0.5
132.61348	0.4
134.03612	0.9
135.24594	0.4
136.01701	0.7
137.99759	0.4
139.04005	1.5
145.02954	0.9
149.02390	0.4
151.00360	40.3
152.00673	1.0
164.01131	0.6
165.01936	2.3
169.01335	0.7
169.73305	0.4
175.00322	1.2
176.08412	2.1
177.01921	4.6
187.03970	0.7
191.05595	1.1
191.10797	1.1
193.01335	0.9
209.15468	0.6
220.07365	4.8
235.09740	19.0
236.03143	0.5
236.10040	1.3
237.11600	0.4
270.04602	0.5
271.06091	100.0
272.06442	6.5
295.05847	0.5
300.02823	0.5
302.17340	1.0
313.07175	1.8
341.19495	0.5
358.20200	1.4
375.55209	0.4
389.23047	1.3
397.15118	0.6
407.09256	0.4
416.20978	0.6
433.11081	1.2
433.20422	3.4
434.21783	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	433.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64190	0.7
59.01382	3.5
59.87052	0.7
65.38238	0.6
69.85831	2.3
72.99281	0.8
87.00936	0.7
87.04514	48.7
90.12289	0.7
93.03448	1.2
101.55914	0.7
113.02467	3.8
116.92858	0.7
123.35634	0.7
131.03500	100.0
132.03839	1.8
135.04503	0.7
137.02484	1.0
139.03078	1.0
139.03944	3.3
143.03426	1.2
148.01582	0.9
153.05598	1.2
158.99765	0.9
160.97838	0.8
163.04079	0.8
181.05002	1.3
186.99245	7.1
195.09314	0.9
201.00757	0.7
211.06110	3.9
229.00467	1.5
241.00429	1.1
258.11206	0.7
259.01331	2.0
283.10306	0.8
301.02423	4.0
301.09357	0.8
325.69058	0.9
373.04648	1.3
390.98679	1.0
414.99051	0.8
425.94067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01873	1.5
57.03419	1.6
57.06462	1.3
59.01376	100.0
61.98827	3.1
69.03458	11.3
69.24165	5.3
71.01378	85.6
72.99303	5.9
73.02943	13.9
75.00864	3.0
81.03455	6.6
83.01372	6.0
85.02956	9.1
87.00870	3.8
88.98825	1.7
89.02441	94.9
90.02810	2.0
95.01428	2.1
96.96014	5.4
96.96947	2.7
97.02948	14.6
99.00876	20.2
99.04517	3.5
101.02435	18.9
111.00854	2.3
113.02428	10.0
115.04025	8.8
119.03533	1.6
123.00885	5.1
123.04538	2.9
124.01657	39.1
125.02442	60.9
126.02789	1.3
127.03983	1.7
131.03520	13.7
133.02969	2.3
135.81778	1.2
138.03188	1.5
139.04024	12.2
141.05585	4.5
143.03513	4.1
149.04549	13.8
153.01958	1.9
161.04543	5.3
173.04491	1.3
191.05652	12.8
192.95793	1.6
209.32744	1.3
215.05550	1.5
233.06647	38.3
274.61295	1.3
293.08789	55.4
294.09241	2.0
351.07101	3.7
379.31711	1.6
433.13721	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	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.3
61.98830	5.5
65.99841	8.4
67.01881	1.7
67.03007	4.8
69.33543	1.7
69.33909	4.4
71.01376	2.7
77.79356	1.0
77.83435	0.9
81.03452	5.0
83.01413	1.1
85.02952	1.7
89.02503	1.1
95.01376	11.6
97.02940	1.0
98.21925	2.2
103.67416	1.0
108.02183	11.7
109.02935	1.5
111.00858	2.6
113.02465	4.3
120.02185	1.4
121.02937	1.6
121.06577	1.1
123.00888	9.4
123.04520	27.1
124.01640	3.7
125.02449	2.8
127.00401	2.0
134.03632	7.4
135.04543	1.7
136.98843	1.4
137.02432	2.1
138.03210	9.0
139.00359	12.7
139.04008	6.3
145.02936	2.7
147.04489	1.6
151.00381	1.5
151.04008	1.0
152.01151	15.7
153.01906	3.5
153.05574	2.4
158.24893	1.0
159.04451	1.4
162.03238	4.0
162.99092	1.2
163.04022	1.9
165.05656	1.2
166.02686	7.0
167.03481	35.3
167.41995	1.0
168.61821	1.0
175.04016	2.1
176.01129	2.6
177.01909	5.4
177.05537	4.6
178.02690	11.2
179.03384	1.5
181.05086	5.1
189.01944	1.8
189.05563	1.0
191.03548	5.5
191.05394	1.3
192.04236	3.2
193.05042	13.4
203.03418	2.8
203.07103	1.3
204.04248	2.2
205.05138	1.5
207.06572	4.6
209.04539	1.0
218.05876	5.2
219.06660	1.3
221.04596	1.3
223.06055	1.1
227.03313	1.6
228.03856	1.9
229.04071	2.2
229.08707	15.3
230.09149	1.3
233.04439	1.2
247.12109	1.5
249.07611	1.2
255.03008	2.8
256.03268	1.1
257.03571	3.8
271.02338	1.1
271.06046	1.1
284.03244	1.5
285.03918	2.3
286.03931	2.7
300.02780	1.5
302.17401	1.7
330.19379	1.5
343.08142	5.2
355.08347	2.9
357.09952	1.3
358.10580	11.0
358.19998	2.1
361.09033	1.0
373.09207	3.3
373.12988	37.2
374.13156	2.7
385.08942	2.3
385.13327	1.5
389.23105	9.3
390.23099	1.4
391.13669	1.2
403.10220	10.8
403.14905	11.5
404.14471	1.4
416.20743	1.2
418.12671	13.2
433.10208	5.7
433.15088	100.0
434.15390	9.1
434.21872	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	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08038	0.5
55.01870	1.7
57.03445	5.8
59.01378	36.9
61.98817	0.7
67.01898	1.6
68.99815	2.1
69.03433	0.7
69.09825	1.3
69.10229	2.7
71.01379	24.0
72.99300	4.4
73.02940	3.3
75.00871	23.8
75.01307	0.8
83.01398	1.6
85.02948	48.1
87.00874	14.2
89.02444	6.4
93.03483	2.9
95.01383	14.4
99.00882	22.6
101.02467	2.0
103.00366	9.4
106.04247	32.2
111.00885	2.2
113.02449	100.0
114.02785	1.7
115.00376	5.1
117.01947	9.7
120.02173	0.6
121.02922	0.8
127.04035	1.8
129.01955	5.3
136.05267	4.6
137.02454	2.0
138.03206	1.8
147.04567	3.6
149.02388	0.6
151.04025	2.9
151.07655	7.9
152.07899	0.5
157.01427	2.8
167.20517	0.5
175.02477	26.5
176.02847	1.3
191.03384	0.6
207.10478	0.5
210.06865	1.8
221.40002	0.6
227.07216	0.8
240.04335	0.8
241.05124	0.7
255.06519	3.0
255.10333	0.8
256.07327	0.9
257.11823	88.3
258.12164	5.7
271.09738	12.0
304.15411	1.0
305.15683	1.6
347.10654	0.8
373.21942	0.8
415.13904	1.4
433.15002	37.3
433.23471	2.6
434.15558	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	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03436	0.9
59.01377	100.0
61.01800	0.8
61.98819	5.2
67.01904	1.4
68.99844	0.8
69.03463	1.2
69.16290	1.5
69.16700	2.8
71.01388	6.9
73.02945	3.4
81.03488	1.0
82.95444	0.8
83.01398	1.8
85.02947	3.5
89.02446	3.2
93.03460	1.4
95.01389	2.8
95.05052	5.2
97.06621	1.0
101.02453	5.9
107.05048	1.9
108.02153	0.9
109.02924	1.2
111.00873	1.9
111.04572	0.8
113.02440	4.4
119.03526	2.1
119.05033	1.1
122.23614	0.7
123.00923	4.4
123.04533	2.1
124.01675	7.3
125.02437	2.4
127.00361	2.0
135.04532	3.9
136.98810	1.6
137.02458	1.9
138.03220	9.1
138.60324	0.7
139.00369	11.7
139.04008	61.9
140.04340	1.2
145.02959	3.6
147.04539	1.6
149.02464	1.2
151.00403	1.6
152.01193	2.2
153.01915	3.5
153.05606	2.1
154.02718	1.8
159.04521	0.9
161.02510	1.8
161.04515	3.6
162.03224	5.1
163.03990	5.8
165.05511	1.0
166.02727	5.8
167.03452	2.2
173.02449	1.3
174.03230	1.4
175.02669	0.7
175.04016	3.5
176.01213	1.9
177.01917	2.0
177.05551	6.1
178.02716	1.9
178.06175	1.1
179.05591	1.0
181.05048	2.7
188.01137	1.2
189.01976	2.6
190.02727	1.6
191.03520	2.1
191.05605	0.8
192.04262	1.1
193.04980	3.7
197.11821	1.9
203.03477	6.2
204.04274	5.1
205.05112	1.9
207.06635	2.1
216.13654	0.8
218.05786	6.3
219.06532	1.4
221.04620	1.9
229.08772	1.7
244.07487	0.9
245.14000	1.0
284.06683	1.4
296.03015	0.8
315.08746	1.2
325.03336	0.9
327.08557	1.1
338.07813	1.3
339.08597	1.1
340.05746	1.3
340.09540	1.5
343.08197	9.0
355.08136	5.3
358.10477	17.9
359.11057	1.3
370.10324	1.1
373.12921	50.9
373.22086	4.5
374.13425	4.5
385.08755	1.4
385.12933	3.2
403.10153	9.7
403.14880	13.1
404.14743	0.9
415.26950	2.8
418.12720	9.3
419.13043	0.7
433.15030	87.0
433.28165	24.4
434.15582	6.9
434.28537	1.1
442.16220	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	433.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99103	0.9
59.01374	8.7
59.71725	0.9
61.98822	3.3
69.37244	3.1
71.01368	2.9
74.59982	0.8
75.47024	0.9
89.02442	3.6
98.22623	1.5
101.02451	1.6
113.02431	1.7
119.03485	1.2
141.40489	1.1
150.60852	1.0
152.14279	1.0
152.99603	1.0
167.08635	3.7
169.06512	5.8
179.03519	1.1
207.10559	1.0
211.07639	100.0
212.07951	6.3
213.60161	1.1
253.12346	1.5
254.09439	1.0
271.09772	2.3
373.12772	1.1
433.15793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91035	0.7
52.91526	0.7
55.01876	6.1
55.55893	0.7
57.03439	1.6
59.01378	100.0
61.98820	1.9
65.99831	1.7
67.02998	1.7
69.03434	0.8
69.60229	3.0
71.01382	32.1
72.99315	1.2
73.02946	10.2
83.01370	4.5
84.02159	0.9
85.02946	14.1
87.00892	1.8
89.02451	8.9
95.01375	1.9
98.22646	1.5
99.00885	4.1
101.02441	25.9
101.06065	1.4
112.01664	14.4
113.02452	14.1
116.92862	4.6
119.03503	3.2
127.04015	29.9
131.03484	1.3
134.03612	2.4
140.07153	1.3
143.03484	2.6
144.00624	3.2
155.98337	0.8
159.02971	4.0
161.04559	25.0
173.04630	1.1
174.62346	0.8
179.05621	2.0
191.05563	1.1
221.06680	1.5
241.96405	0.8
373.15015	27.5
374.15320	1.6
389.23108	3.8
433.04321	1.3
433.21866	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02971	0.3
57.03431	0.3
59.01377	100.0
60.01687	0.7
61.98835	1.9
66.83978	0.3
69.41139	1.5
70.70074	0.3
71.01376	3.3
72.27792	0.3
73.02956	1.5
83.01391	0.5
85.02950	1.6
87.04534	0.4
89.02435	2.8
101.02441	2.8
102.60957	0.3
107.22263	0.3
113.02441	2.2
119.03477	0.9
123.04542	0.6
139.04018	2.2
149.04704	0.4
155.13370	0.4
161.04572	1.4
191.05678	0.6
196.95500	0.3
213.05684	0.6
229.08777	0.6
241.05055	1.0
250.46954	0.4
256.07352	2.3
271.09906	1.7
319.14047	0.5
331.17661	0.6
373.18469	0.5
373.22418	2.5
433.15521	0.6
433.24530	1.2
433.29147	0.6
434.21854	0.5
456.19736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.86747	0.7
59.01369	0.7
64.05964	0.7
66.91909	0.7
69.16618	1.1
69.17030	2.7
75.59441	0.7
78.95905	52.6
79.07155	0.7
80.91664	0.9
81.33884	0.8
92.75761	0.6
96.96970	6.6
98.22575	1.9
99.92594	1.9
129.02441	0.7
150.98018	0.8
152.99588	100.0
171.00575	4.7
205.07379	0.7
279.23077	0.8
383.94412	0.8
433.23575	9.5
434.17502	1.5
434.23526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10889	0.2
51.27741	0.2
59.74175	0.2
61.05782	0.2
70.67449	0.4
78.95898	52.2
96.96959	6.0
107.37299	0.2
118.46972	0.3
150.97997	1.8
152.99579	100.0
153.99947	0.9
171.00642	4.1
175.83989	0.2
192.31638	0.2
279.23291	0.9
333.16934	0.3
418.52823	0.3
433.23572	9.5
434.24097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.29979	0.2
59.01347	0.4
62.96411	0.3
69.24315	1.3
78.95900	51.2
81.05213	0.2
96.96960	5.9
111.30685	0.2
139.40196	0.2
150.98000	2.1
152.99582	100.0
153.99939	1.2
158.88698	0.2
171.00635	4.3
265.21689	0.3
279.23300	1.2
295.84509	0.2
305.89508	0.2
345.94861	0.2
433.23544	7.8
434.23749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03840	0.4
51.48661	0.4
55.01877	3.0
57.03447	1.9
58.00590	0.8
59.01378	100.0
60.01715	1.3
61.98827	0.6
69.03471	0.9
69.28818	2.4
69.57272	0.4
71.01380	60.0
72.01717	0.8
72.99314	1.6
73.02941	7.0
75.00844	0.9
80.75321	0.4
83.01389	3.0
85.02949	16.0
87.00895	2.3
87.04504	3.9
89.02443	57.4
90.02789	0.4
93.03484	0.7
95.01389	4.2
95.05030	0.8
97.02950	1.5
98.22614	0.8
98.72019	0.4
99.00884	2.6
99.04538	0.4
101.02442	37.1
102.02735	1.0
112.01680	1.5
113.02454	27.3
113.06067	0.5
114.02769	0.5
116.92892	0.8
119.03505	26.2
119.04994	1.6
119.58355	0.4
120.03833	0.6
122.89996	0.4
125.02464	1.2
127.03169	0.5
127.03966	1.9
128.04379	0.8
129.01926	0.5
131.03534	3.0
139.04018	6.9
143.03479	5.7
143.04482	0.6
149.04559	2.2
151.00356	0.6
151.59082	0.4
157.08766	0.5
159.03008	1.6
161.04549	15.2
161.05846	0.8
173.04616	0.6
179.05605	10.2
179.95218	0.4
183.13957	0.7
191.05560	0.7
193.01381	0.9
197.11868	0.5
201.11353	0.7
201.15051	0.5
211.06427	0.4
211.49788	0.4
271.19131	5.3
313.07263	3.8
319.14020	1.8
343.08249	1.2
345.19302	0.5
387.20236	1.1
415.23969	0.8
433.11633	1.3
433.17340	3.8
433.24512	37.6
434.17435	0.6
434.24820	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55021	0.6
55.01877	3.1
55.12555	0.5
57.03443	3.3
57.25340	0.7
58.00611	1.5
58.07534	0.6
59.01380	100.0
60.01719	1.1
60.34184	0.6
61.98853	0.6
64.06787	0.6
65.00335	0.8
69.03468	0.7
69.18582	0.6
71.01379	61.5
71.05035	1.1
72.99319	1.2
73.02950	8.2
75.00876	1.0
81.03487	0.8
83.01389	4.6
83.05038	0.8
85.02953	16.8
87.00893	2.6
87.04507	4.4
89.02444	57.7
93.03489	2.0
95.01387	4.6
95.05061	2.3
96.96045	0.8
97.02945	1.6
99.00874	3.4
99.04584	0.7
101.02441	40.1
109.02973	0.6
112.01684	2.4
113.02448	27.2
113.06107	1.4
114.02775	1.1
116.92886	1.0
119.03506	25.4
119.04930	4.4
120.03861	0.8
121.02975	1.0
121.18781	0.7
124.03960	0.6
125.02487	2.4
125.72483	0.6
127.04011	4.6
128.04390	0.9
129.02058	0.8
131.03497	3.8
135.04582	1.3
139.04016	12.4
140.04384	1.6
140.07227	1.7
141.04526	1.2
143.03485	4.4
144.00745	1.1
145.03012	0.7
149.02567	0.8
149.04572	1.5
151.00414	2.0
157.05147	0.9
158.79762	0.8
159.03087	0.9
161.04546	12.2
173.04619	0.9
176.04091	0.7
179.05623	9.6
179.06935	0.7
191.03992	0.8
191.05655	1.4
193.01506	2.4
197.11877	0.9
201.11456	1.0
271.06308	2.2
271.19171	5.0
302.24554	0.7
313.07184	9.5
313.10086	0.7
319.14026	3.3
343.08481	2.1
433.11749	1.8
433.17035	2.1
433.24817	33.3
434.24927	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23458	0.3
55.01875	1.0
57.03456	0.9
59.01377	100.0
60.01699	0.7
61.98825	2.3
67.05525	0.5
69.03504	0.3
69.21373	1.3
69.21776	0.6
70.34134	0.3
71.01379	8.5
73.02938	2.8
81.03471	0.5
82.95412	0.4
83.01405	1.0
85.02948	4.5
85.03413	0.5
87.00909	0.4
89.02445	4.3
95.01407	0.4
95.05033	4.0
98.21906	0.7
99.00916	0.9
101.02439	6.3
109.06618	0.3
113.02453	4.1
119.03504	2.3
122.57020	0.3
123.08162	0.7
124.01716	0.3
131.03528	0.3
139.04013	40.8
140.04378	1.1
140.25516	0.3
143.03535	0.8
159.02997	0.5
161.04573	3.3
179.05661	0.4
191.05612	0.5
208.43692	0.3
216.13589	0.5
227.58702	0.3
236.05066	0.3
254.94302	0.4
271.19287	0.7
294.17535	0.3
319.14032	0.4
373.22284	9.0
373.26831	0.5
374.22836	0.9
415.27438	1.3
433.16159	0.5
433.18112	0.4
433.28418	12.0
434.28577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
53.30472	0.4
55.01857	1.2
57.03441	0.9
59.01379	30.0
60.01705	0.6
61.98825	0.5
67.17928	0.4
69.05022	1.0
69.05424	1.4
71.01380	14.1
72.99291	0.3
73.02941	2.0
75.00831	0.4
75.81130	0.4
83.01383	2.2
85.02951	4.6
87.00864	0.9
89.02432	5.1
93.03433	0.5
95.01373	0.7
97.06563	0.5
99.00868	1.1
99.04494	0.8
100.07676	0.7
101.02443	7.2
107.36208	0.4
109.06549	0.7
111.00906	0.4
111.08159	3.6
113.02457	5.5
119.03509	2.0
123.04500	1.7
125.02404	0.4
125.09683	0.5
127.11289	2.5
132.12262	0.3
139.03996	0.6
139.11292	0.4
143.03503	0.7
153.12839	0.7
155.10782	3.7
161.04527	1.3
163.11275	0.6
181.15967	0.5
183.17554	3.2
213.05579	0.6
227.16525	54.8
228.16902	2.7
240.04424	0.4
241.04990	1.4
253.18138	4.3
255.06686	1.0
256.07385	3.3
271.09686	4.7
281.17493	1.0
415.23334	2.9
433.24390	100.0
434.24759	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	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03439	1.0
59.01377	100.0
60.01706	0.7
61.98826	2.9
65.00656	0.4
68.99818	0.5
69.15752	2.2
71.01384	7.6
71.05048	0.4
73.02943	2.9
82.95409	0.6
83.01399	0.5
85.02945	3.8
88.51342	0.4
89.02433	4.2
89.02850	0.3
90.83109	0.4
95.01381	0.5
95.05020	4.1
98.65840	0.4
99.00883	0.5
101.02446	5.7
101.03023	0.6
111.04555	0.4
113.02444	3.9
119.03539	1.7
139.04013	37.4
140.04396	1.4
141.09235	0.5
143.03593	0.6
149.04547	0.4
159.02998	0.6
161.04546	4.2
161.82578	0.4
179.05629	0.6
191.05626	0.4
197.11667	0.4
373.22281	9.7
374.23065	0.5
415.27127	1.2
433.15781	0.6
433.28387	13.5
434.29050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.28057	1.9
61.98805	1.7
69.30956	7.2
69.31379	2.6
71.59185	1.6
73.50381	1.7
78.95913	6.2
91.30210	1.8
99.94115	1.7
102.34702	1.7
116.92863	2.4
145.33987	1.7
152.99583	14.5
154.84151	1.9
159.89842	1.6
220.44942	1.7
259.68015	2.0
293.17792	2.7
324.42291	1.8
388.92163	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	434.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58819	1.0
54.21870	1.0
55.01865	4.6
57.03432	1.4
59.01379	17.2
61.98831	100.0
69.03457	2.9
69.62717	3.5
71.01377	10.3
72.99289	2.5
73.02947	6.9
75.00872	9.8
83.01385	1.4
83.05010	1.4
84.02180	1.2
85.02943	9.2
87.00867	5.3
89.02448	2.9
95.01379	3.0
97.02940	4.3
98.21892	2.0
99.00876	6.4
101.02409	1.8
112.01659	18.3
113.02460	13.8
115.03971	2.1
117.01937	1.7
121.02954	49.0
127.04014	44.0
130.46317	1.0
144.00677	6.1
157.08647	1.3
200.30351	1.3
231.04987	3.3
249.06139	33.2
250.06511	1.2
300.88379	0.9
318.17484	2.2
324.18176	1.3
328.22565	1.3
336.18115	4.3
353.08673	1.4
358.20059	3.0
360.17993	1.2
371.09799	83.1
372.10104	5.7
372.21884	2.4
390.22839	3.9
416.20569	1.7
433.17123	1.7
434.21951	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.6
70.48240	0.5
70.48583	0.9
75.23978	0.5
78.95897	1.4
91.01897	6.2
99.92590	2.4
108.02174	20.4
109.02965	6.9
113.47974	0.4
117.48381	0.4
121.02956	3.9
126.99551	2.3
136.91870	0.5
142.78741	0.5
152.99561	4.5
153.99907	0.6
157.06561	2.7
163.07637	0.5
163.11301	0.5
167.06319	16.7
169.06551	1.1
171.04495	0.5
185.06087	2.0
191.57118	0.5
211.05351	2.8
213.05560	100.0
214.05943	5.4
222.05569	3.9
272.99481	0.5
328.66660	0.6
381.71100	0.6
407.10370	3.2
434.17700	2.2
434.23575	0.8
435.25104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40581	0.7
55.65604	0.7
57.27492	0.8
61.98828	1.7
69.11346	3.8
69.11773	1.1
78.95904	16.7
81.53790	0.7
89.22701	0.7
89.62913	0.7
96.96978	1.7
108.02170	42.6
124.29534	0.7
126.99557	1.1
152.98349	1.4
152.99586	26.6
153.99864	3.8
157.06609	2.3
158.03722	1.9
167.06317	12.5
168.06517	0.8
169.06564	1.5
171.00653	1.2
171.04433	1.2
185.06000	4.8
211.05296	2.9
212.04842	2.2
213.05563	100.0
214.05910	5.0
228.62888	0.8
241.81569	0.9
281.53821	0.8
312.44147	0.8
407.10651	6.7
429.55142	0.7
433.23883	0.9
434.23575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	17.9
58.30222	6.6
61.12336	7.3
61.98836	24.5
80.08839	6.3
98.22610	19.2
101.06052	36.5
112.01643	39.0
127.04012	100.0
144.00609	20.6
163.06393	12.5
168.55779	7.6
178.08734	65.6
256.09686	40.9
262.14453	88.3
390.23181	12.8
434.21664	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1819
Annotation	Neoxaline
Peak:m/z	Relative Intensity
55.01868	1.2
57.03436	1.4
59.01381	12.8
60.99291	3.9
61.98829	8.3
65.03962	2.2
67.01892	5.1
68.99805	3.1
69.03452	1.9
71.01374	6.0
71.41543	1.1
72.09010	1.1
73.02933	1.7
74.02457	1.3
80.22262	0.9
80.84868	1.2
81.03452	1.7
81.07087	3.7
82.95437	1.3
83.05017	2.6
85.02941	3.1
87.00874	2.5
89.02444	3.2
89.03957	9.6
91.05538	6.2
93.03462	2.3
95.01387	1.7
95.05024	2.8
96.96017	9.1
96.99310	2.4
97.02953	3.3
97.06580	2.0
98.00079	1.5
101.02432	2.4
104.05058	1.2
106.04234	2.3
107.05029	3.0
109.02934	2.9
109.06602	1.0
109.36749	1.0
111.00871	3.5
111.04500	1.2
111.50758	0.9
113.02460	7.7
116.05032	2.8
119.05016	2.8
120.08165	1.8
121.03023	1.1
121.06585	13.2
122.03714	2.5
122.06076	1.0
123.00877	3.8
123.04515	1.7
125.02457	3.9
130.06580	1.1
131.03528	1.5
132.04550	1.5
132.08197	1.7
133.02950	3.4
135.04506	6.1
137.02449	3.2
137.06050	2.4
138.03191	5.3
138.09244	3.1
139.03973	5.0
140.01147	4.5
140.07159	2.6
143.03473	6.7
144.08202	2.2
145.05188	1.7
146.06107	2.0
149.02422	4.2
149.06122	1.5
150.03207	3.6
151.03996	3.3
152.04768	2.0
153.05548	6.2
155.03485	3.9
155.07140	10.6
158.06075	2.6
159.03209	1.2
159.04477	1.2
160.04021	4.4
160.07684	2.6
161.04573	1.9
163.03986	9.4
165.05554	14.6
167.03485	10.0
167.07040	1.1
168.04201	1.7
169.08765	7.0
170.06093	2.0
171.06866	3.2
172.07657	3.4
173.04579	1.6
174.05505	2.3
176.03458	1.5
176.07251	1.3
179.03514	4.0
180.04271	15.0
181.04985	1.2
183.06612	25.0
183.08224	1.5
184.97638	2.1
186.05646	1.4
186.09227	2.0
187.06299	1.9
188.03468	2.5
188.07104	2.0
189.05527	1.3
191.05629	3.2
192.06616	1.7
193.05061	2.1
195.06610	8.7
196.11372	1.3
197.09798	1.3
200.07097	1.3
202.05077	4.6
204.06662	2.6
204.10190	1.2
206.04523	7.6
207.06537	1.4
208.05988	1.6
209.08298	1.5
210.09184	2.2
220.05969	2.3
221.08368	1.3
222.09299	2.2
224.10748	1.4
236.09045	1.9
236.11053	1.5
240.13986	1.1
253.14755	1.3
254.11826	1.7
254.15468	1.2
266.15436	7.3
268.13434	2.9
268.16992	1.4
269.14243	1.1
270.11362	1.8
270.15036	1.5
271.13480	1.1
278.15338	1.8
280.13379	1.3
282.15195	1.5
283.15729	5.3
284.09253	2.8
284.16513	2.7
289.02411	2.8
294.15057	1.4
295.15579	1.6
296.13538	1.2
296.16440	6.2
298.14487	2.7
298.17990	3.0
302.14063	1.2
310.14429	2.9
310.18204	3.4
312.16016	1.9
313.16742	6.0
314.14154	1.4
314.17529	2.7
316.19272	1.5
322.14240	1.2
328.15500	2.8
328.19138	3.1
329.12506	1.2
332.15237	1.4
340.15506	3.4
342.17087	3.5
354.17194	5.0
356.14841	1.2
358.16467	3.5
372.14111	1.7
372.18274	5.0
374.16083	1.0
375.07028	10.5
384.14426	4.0
390.19189	3.0
398.16605	1.3
402.15497	8.9
403.15991	1.3
404.17090	6.1
416.17197	17.5
417.17532	2.0
419.15747	2.1
434.18170	100.0
435.05975	5.9
435.18658	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	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61060	0.5
53.66478	0.7
59.01375	22.4
60.01711	1.6
61.98827	100.0
63.13393	0.5
71.01382	3.8
72.01709	0.7
73.02974	1.2
85.02950	2.1
87.00866	0.7
87.40228	0.6
89.02460	2.9
93.03442	0.8
95.01391	0.9
101.02454	2.1
113.02436	3.5
114.02811	1.0
119.03500	1.1
123.04540	0.8
126.95117	0.6
133.49239	0.5
135.04565	1.2
139.04024	6.2
140.04346	2.1
145.84529	0.6
161.04575	0.7
173.04597	1.0
191.05653	1.5
228.74396	0.6
252.72147	0.6
331.17780	0.9
349.18872	1.7
352.79446	0.6
374.13309	2.0
404.14795	0.6
419.13254	1.2
434.15244	6.8
434.21335	0.8
434.28284	1.2
448.30371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18582	0.4
59.01379	10.8
59.26777	0.5
60.01723	0.6
61.01817	0.6
61.98829	100.0
66.12969	0.4
69.43930	1.6
71.01389	1.7
73.02930	1.1
74.08356	0.5
77.09802	0.4
85.02922	0.8
87.00865	0.4
89.02457	1.1
93.03426	0.5
95.05031	0.7
96.05378	0.4
97.02957	1.1
100.26910	0.4
101.02477	0.9
113.02470	1.4
113.06100	1.4
114.06431	0.9
116.92854	2.9
125.35611	0.4
127.04001	0.6
134.09142	0.4
139.04024	1.7
151.03929	0.6
157.05112	2.1
158.05431	1.5
161.04578	0.6
163.07536	0.5
166.02734	0.7
191.05655	0.9
201.37921	0.5
242.15581	0.5
296.23590	0.5
302.17654	1.3
320.10571	0.5
320.14200	0.6
340.19302	0.5
358.20398	1.4
434.21710	11.7
435.22519	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	434.2179
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
53.07439	0.6
55.01866	2.7
57.03440	3.2
69.54169	2.8
71.05019	0.8
73.02944	2.3
83.75955	0.7
85.02981	1.2
87.04533	1.5
94.37211	0.9
95.05011	1.1
98.03702	0.9
98.22619	1.6
109.02932	1.4
109.06573	3.2
110.03761	1.0
111.04493	1.6
112.01637	3.7
113.02448	8.5
115.03986	0.9
121.06588	2.2
122.03732	1.2
122.09763	2.9
123.04549	1.0
123.08250	0.9
124.98825	0.8
125.02434	2.7
127.04015	3.1
135.08127	1.4
136.24348	0.8
138.03206	4.0
139.00340	2.5
139.04018	14.9
144.00560	0.9
147.08118	2.2
148.07690	1.9
149.06007	0.8
149.09695	1.4
150.03236	1.9
150.06833	1.9
161.09718	2.0
162.09276	0.7
163.07680	1.2
165.09178	1.4
166.08736	2.2
167.03519	1.5
173.09755	1.4
176.08365	1.1
177.09222	1.6
207.06563	0.8
208.11685	0.8
216.13972	1.8
222.14197	0.8
242.15517	3.4
246.11668	0.8
260.12915	2.9
260.16702	1.2
272.16522	1.7
296.20157	1.0
302.17560	10.4
314.17569	1.3
314.21231	2.1
317.49396	0.8
340.19144	2.7
357.98630	1.0
358.20166	12.4
372.21722	1.9
375.27725	1.0
390.22934	5.0
402.03723	0.8
402.19116	2.8
416.20908	6.6
429.29947	0.9
434.21786	100.0
435.22058	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	434.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03429	1.2
59.01370	1.4
67.74946	0.5
69.19341	2.2
69.19750	0.9
71.05023	0.9
73.02921	2.7
77.41623	0.5
80.05030	0.7
85.02943	1.0
87.04523	1.1
88.22644	0.5
89.66715	0.5
91.29194	0.5
92.86524	0.5
96.04552	0.7
97.02953	0.6
98.03740	1.5
107.05029	1.1
109.02938	1.4
109.06574	2.1
111.04536	0.9
112.01671	3.4
113.02446	6.0
115.04029	1.0
121.06580	1.2
121.08643	0.5
122.03757	0.7
122.09751	1.8
123.04520	1.8
123.08168	0.7
124.01695	1.0
124.05289	0.5
125.02448	1.7
127.04011	2.9
135.08189	1.1
136.07753	0.5
138.03224	3.9
139.00386	2.0
139.03009	0.9
139.04016	11.6
147.08162	1.2
148.07655	1.2
149.06085	1.1
150.03207	0.8
150.06845	2.1
151.04027	1.4
158.07373	0.6
161.09715	0.8
163.07599	1.0
165.05597	0.6
165.09216	1.4
166.08736	2.5
167.03468	0.8
167.07170	1.0
173.09686	1.1
177.09227	1.0
204.13969	0.8
218.11763	0.6
229.08618	0.7
240.13805	0.8
242.15530	3.3
258.14981	1.3
258.18619	0.9
260.12827	1.3
260.16522	1.5
272.16577	1.0
284.16571	1.4
293.45129	0.6
296.19885	0.6
302.14157	1.3
302.17572	10.3
314.21201	2.2
318.17197	1.3
340.19189	3.4
358.16132	1.0
358.20291	13.0
372.21735	0.9
380.11264	0.6
390.22855	4.7
402.19012	3.3
416.20773	7.0
417.20715	0.6
434.21829	100.0
435.22083	8.9
435.27649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2182
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
55.01873	2.4
57.03437	1.5
59.01379	4.2
66.03481	0.5
69.03429	0.7
69.30267	2.1
71.05009	0.8
73.02947	2.8
80.05032	0.5
87.04507	1.0
92.05083	0.6
95.05025	0.6
96.04510	0.5
97.02934	1.1
98.03738	0.8
105.07083	0.6
109.02982	0.7
109.06583	2.5
110.03728	0.5
111.04526	0.6
112.01656	2.7
113.02438	6.3
114.05589	0.6
115.03985	0.7
121.06581	1.1
122.03736	0.9
122.09747	2.2
123.04530	1.1
123.08161	0.6
125.02459	1.3
127.04033	2.5
128.07236	0.5
135.08154	1.0
137.06111	0.8
138.03244	3.4
139.00356	1.7
139.04002	11.1
143.11150	0.4
147.08136	1.3
148.07697	1.2
149.06024	0.7
149.09760	0.7
150.03212	1.5
150.06831	1.5
151.03989	1.2
158.07274	0.7
161.09671	1.1
163.07614	0.9
165.09225	0.8
166.08725	2.2
167.03494	1.1
167.07175	0.8
168.04285	0.6
173.09735	0.7
175.11284	0.6
176.08459	0.5
177.09271	0.9
178.12645	0.4
202.12302	0.6
207.06670	0.7
216.13904	0.6
242.15416	3.0
248.12837	0.5
258.14972	0.9
258.18613	0.7
260.12814	1.4
260.16592	1.2
272.16550	0.7
284.16397	0.9
296.20148	0.7
302.14182	1.1
302.17590	8.8
303.17935	0.7
314.21234	1.3
318.17151	0.9
340.19165	2.6
358.20132	10.6
359.20435	1.4
364.35840	0.5
372.21704	1.2
390.22922	5.1
402.19214	3.3
416.20709	7.4
417.21033	1.0
434.21783	100.0
435.22073	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	434.2182
Annotation	Protostemodiol
Peak:m/z	Relative Intensity
51.93475	0.4
55.01879	13.5
59.01382	5.5
60.01695	0.8
61.98833	8.0
62.54356	0.4
63.16166	0.5
68.80711	0.4
69.03439	0.7
70.77784	0.6
71.01392	1.7
73.02954	2.2
76.09440	0.4
83.05009	0.5
84.02150	2.7
85.02970	0.9
87.00883	1.4
89.02459	0.6
97.02965	1.0
99.00866	1.3
100.93378	1.1
101.02438	0.7
107.72350	0.5
112.01672	41.0
113.02539	0.9
115.92084	1.1
116.92862	1.0
117.92873	0.5
121.02991	0.9
123.04528	0.7
127.04018	100.0
128.04366	2.2
129.05579	1.1
144.00648	15.0
161.04642	0.6
162.04854	0.6
165.05547	0.9
167.07179	1.4
184.34134	0.5
257.02774	2.1
315.01749	0.5
318.17261	1.0
358.20163	4.8
371.09827	1.0
372.22021	0.5
374.15506	1.4
390.22815	2.1
402.19244	0.6
434.21951	7.4
435.11319	1.8
448.56064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25713	0.6
55.01876	1.7
57.03447	1.7
59.01367	1.5
66.03503	0.8
66.62406	0.5
69.07759	1.6
69.08181	2.4
71.05003	0.9
73.02929	2.6
85.02930	1.3
87.04497	0.9
88.36119	0.5
90.89016	0.6
95.01387	0.8
96.04570	0.7
98.03738	1.3
98.21851	1.1
109.02942	1.2
109.06577	2.3
110.06111	0.7
111.04504	0.8
112.01658	2.7
112.04038	0.7
113.02446	5.9
115.04002	0.9
121.06545	1.1
122.03735	0.8
122.09780	2.4
123.04574	0.6
124.01639	0.8
124.05354	0.6
125.02444	1.4
127.04011	3.2
128.07193	0.5
138.03264	3.3
139.00354	1.6
139.03993	11.2
144.00616	0.7
147.08101	1.1
148.07661	1.3
149.06070	0.6
150.03210	1.7
150.06830	1.7
151.03966	0.8
161.09680	0.8
162.09308	0.7
163.07672	1.3
165.05562	1.3
165.09245	1.0
166.08746	2.0
167.03471	1.5
167.07098	0.7
173.09608	1.2
176.08455	0.7
177.09155	1.2
202.12422	1.0
204.14009	0.7
207.06508	0.5
210.06158	0.6
216.13977	0.7
218.11914	0.8
227.07141	0.8
228.07454	2.0
240.14009	0.9
242.15482	3.2
246.42592	0.6
254.05379	1.1
255.02998	0.6
256.03342	1.4
258.14966	1.2
258.18576	1.4
260.12897	1.4
260.16589	1.5
271.02487	1.6
271.06213	0.7
272.02841	3.8
272.06430	2.6
272.16556	1.7
284.16495	1.2
296.20224	0.8
300.02792	2.2
301.02994	7.2
302.03989	1.2
302.14169	1.2
302.17551	10.6
314.07364	0.6
314.21185	2.2
318.17087	1.3
340.19156	3.8
358.20169	12.6
372.21973	0.8
390.22931	5.5
402.19122	4.6
408.76346	0.6
416.20746	6.8
417.21078	0.7
434.08832	5.2
434.21768	100.0
435.22144	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	434.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86446	10.4
69.21483	57.0
71.97901	13.2
75.14718	10.7
78.95860	18.6
83.05019	19.2
94.45734	12.8
125.87367	11.7
127.87064	13.3
137.82091	11.6
162.84018	17.3
165.31624	11.5
192.95731	15.1
268.10452	29.5
277.05328	18.3
285.69199	11.7
343.74908	11.5
352.19662	22.6
391.29538	100.0
399.12177	20.7
434.21405	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	435.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03443	1.6
59.01379	23.4
61.98827	1.3
67.01865	0.7
69.03441	2.0
71.01378	9.9
71.05010	0.9
71.15934	0.6
72.49379	0.6
72.99315	0.9
73.02941	5.7
79.59257	0.5
83.01404	1.6
84.93839	1.4
85.02946	5.6
86.19088	0.6
87.00410	0.6
87.00862	3.6
87.04526	3.3
89.02451	5.4
91.41537	0.6
93.03445	2.5
95.01390	0.9
96.96017	5.2
97.02911	1.0
97.06580	3.9
98.95532	1.3
99.00878	2.3
99.91908	0.6
99.92578	23.5
100.93359	45.2
101.02439	7.1
101.93387	2.4
109.02917	1.0
111.00877	3.6
111.04520	3.5
112.01640	3.2
113.02458	7.2
115.91222	0.8
115.92072	45.5
116.92856	100.0
117.92874	6.3
118.92631	3.7
119.03484	1.3
125.02422	0.7
127.04000	6.8
128.04353	1.3
131.03488	5.3
132.92281	1.0
137.02449	2.4
139.04018	1.0
140.96512	3.0
141.05566	2.2
141.93622	1.6
142.94400	1.4
142.98088	0.8
143.03502	0.9
144.00618	1.0
154.94414	0.7
154.98022	0.7
155.03441	3.8
156.95961	0.7
157.01424	1.3
157.08751	0.7
159.03067	0.6
159.06630	1.3
161.04524	3.2
167.95207	1.3
168.95961	2.3
169.93106	1.2
169.96767	1.3
170.93889	1.0
170.97511	1.4
171.10201	1.5
173.04596	1.7
179.03520	0.8
179.05556	1.4
184.99081	0.8
186.96956	1.0
188.04811	1.0
191.05615	6.6
196.95439	0.7
198.97017	1.1
199.09726	3.4
201.11331	4.5
208.95584	0.7
213.95752	4.1
214.96524	4.1
217.08638	2.7
221.10266	0.6
254.99590	1.2
257.01245	1.7
263.11328	1.1
272.19592	1.0
285.00720	1.6
287.02328	0.7
288.02945	0.7
303.01663	1.1
303.10727	1.0
304.02496	4.3
305.03333	6.8
306.04138	0.9
313.20230	0.8
321.11841	5.6
321.15509	2.3
345.06461	15.3
346.06772	1.7
357.13165	1.1
361.22311	2.1
373.05759	1.7
375.04248	0.7
387.14413	0.8
399.03867	18.6
400.03934	2.2
417.04999	3.1
417.25128	1.2
434.17651	1.7
434.24799	2.8
435.05954	49.0
435.15137	2.2
435.18222	2.1
435.25870	7.2
436.06134	6.1
436.19778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61367	0.8
59.01375	4.3
65.70293	0.9
69.03452	1.0
70.08672	0.9
70.49543	0.9
70.63365	0.9
71.01372	1.3
80.91692	2.5
82.95415	9.8
84.22505	0.9
85.02961	3.1
87.00880	3.7
88.98811	2.4
93.03474	4.4
96.96014	8.6
98.21870	2.3
99.92598	4.4
100.93375	2.2
111.04591	1.1
113.02462	1.2
115.92111	2.1
116.92862	3.1
120.48723	1.0
120.99663	1.3
127.03977	1.7
133.02966	6.6
134.03764	10.9
135.04523	36.0
136.04889	1.2
137.02419	1.2
155.03542	1.5
161.02449	17.8
162.02933	1.1
163.03964	1.4
173.04558	4.2
175.02443	1.5
177.01938	1.1
178.02748	1.1
179.03502	28.5
179.77559	1.0
189.01683	6.9
191.05618	23.7
193.05031	6.6
200.00844	1.2
201.01747	16.5
215.03101	1.0
218.97694	1.1
219.01521	3.9
256.97589	1.1
273.04660	7.4
274.05054	1.1
289.02332	1.5
294.89783	1.0
351.06982	1.4
353.08521	1.4
356.77597	1.0
367.10687	1.4
373.00180	4.0
375.06961	100.0
376.07169	5.2
378.08484	1.0
389.08469	2.6
391.01556	1.1
393.06647	2.6
435.00311	2.1
435.07755	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	435.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.2
69.39712	2.5
69.40100	1.7
69.79321	1.1
73.02931	1.3
75.00905	1.3
78.80120	1.0
78.95927	1.3
80.91682	2.3
82.95421	15.1
85.02947	4.3
87.00873	3.4
88.98837	2.0
93.03462	3.9
96.96019	10.2
96.96952	1.4
97.02959	0.9
99.92604	5.7
100.93376	3.1
101.02469	1.1
111.04506	1.7
113.02451	2.2
113.34354	1.0
115.92075	3.8
116.92872	3.0
129.05612	3.2
133.02982	8.3
134.03734	8.3
135.04539	33.5
136.04916	1.4
137.02519	1.4
146.57234	1.1
155.03531	1.3
157.05034	2.0
161.02460	17.8
163.04007	1.7
173.04567	3.9
173.06033	0.9
175.02562	1.9
179.03505	30.3
189.01680	4.2
191.05626	22.3
192.05875	1.1
193.05164	1.7
194.14847	1.0
195.01529	2.4
196.20837	1.1
201.01749	17.4
203.32396	1.0
215.03320	1.2
215.05681	1.3
215.95099	1.2
219.01508	6.1
223.45438	1.1
255.97247	1.3
256.97690	1.4
262.96600	2.4
273.04623	9.2
289.02151	3.9
351.07468	2.7
354.18753	1.2
371.12653	1.0
373.00079	3.5
375.06961	100.0
376.07172	7.0
393.06754	3.1
435.00366	2.3
435.07007	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	435.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97226	17.2
53.34819	16.1
61.98803	25.5
66.82666	16.8
68.51479	18.5
69.89026	36.0
69.89373	20.8
78.95897	51.2
81.39716	17.9
81.47911	18.4
93.03476	100.0
93.03947	16.0
98.22649	20.0
98.53031	18.2
105.31121	16.9
149.28995	15.6
152.99564	74.5
163.06366	16.5
183.08141	92.3
241.58887	18.4
311.56329	20.6
419.12164	18.6
435.14999	72.7
435.28387	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	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19023	2.3
59.01364	8.0
59.01649	2.2
64.89848	2.0
69.03462	4.4
71.01381	6.1
74.57767	2.0
78.95875	2.4
80.20607	2.0
85.02942	11.3
87.00878	6.0
89.02478	2.6
93.03457	7.7
94.92894	2.2
96.95991	2.6
109.02926	3.1
111.00882	2.7
111.66766	2.0
112.01659	86.6
113.02448	9.6
117.00542	3.1
125.00929	4.0
125.02497	2.3
125.78879	2.3
126.98813	2.5
127.02541	2.6
127.04028	10.1
133.02942	3.2
134.03819	2.7
135.04515	13.1
137.02435	4.3
141.00417	8.7
145.05136	2.3
150.03177	7.6
151.02470	5.2
155.03465	2.4
157.03572	5.2
161.02399	5.8
165.05524	11.4
167.02011	3.0
168.97083	2.3
168.99928	10.8
169.03568	4.8
171.02980	3.1
173.00940	7.3
173.04532	8.7
175.02477	16.9
179.03502	9.2
181.03558	2.9
185.03033	2.3
189.01558	2.7
190.01225	2.6
191.05598	59.5
192.05917	2.9
193.03528	4.1
195.01468	22.3
195.06641	5.0
196.01590	2.6
201.00217	14.1
201.02002	4.2
207.86685	2.7
215.01962	2.3
217.03534	8.5
219.01465	58.7
220.01625	4.0
243.01424	15.2
255.03520	7.7
259.04547	6.0
273.04645	100.0
274.04819	8.3
287.04248	3.5
289.02090	16.2
315.03662	5.1
315.07004	3.6
326.76041	2.4
327.10675	3.6
331.03085	4.1
333.43152	2.3
357.04529	3.5
375.05911	94.5
376.06046	7.3
392.93161	2.3
393.06793	32.6
394.06827	4.1
435.07703	49.7
436.08130	6.6
442.01578	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	435.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.9
61.21253	0.7
61.98830	11.2
69.08474	1.6
69.08872	3.3
71.01379	3.2
72.21528	0.6
73.02950	1.3
85.02953	1.4
89.02434	2.0
93.03436	1.1
101.02456	0.6
108.02158	1.2
109.02961	1.1
111.27269	0.6
115.92124	0.8
121.02926	1.6
123.04534	1.3
123.08174	1.8
127.07646	1.0
133.02957	0.9
135.00876	1.0
135.04501	1.0
136.01680	2.9
137.02455	15.3
139.03978	1.1
151.04010	5.8
152.04758	3.3
156.26680	0.7
160.05185	0.6
161.02454	4.4
163.07686	1.3
164.01164	3.3
165.01926	100.0
166.02257	3.4
172.26846	0.6
175.07552	0.9
176.04768	3.3
176.99533	0.6
179.03493	40.9
180.04279	64.0
181.04552	2.5
191.07129	1.8
194.05843	13.6
195.02939	3.0
195.06621	86.5
196.07007	4.0
209.08195	16.2
210.05322	13.0
210.08482	0.7
225.07672	67.0
226.07922	3.8
229.12390	1.2
255.10190	1.1
258.08813	1.1
273.11310	11.5
303.17816	0.8
329.10379	1.3
357.09674	6.9
359.20441	0.8
372.12268	3.9
387.14487	28.5
388.14651	2.7
417.20908	1.3
422.46085	0.8
435.16983	1.3
435.22101	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	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
57.20202	0.7
59.01081	1.1
59.01378	21.8
60.01709	1.0
61.98829	5.6
66.60850	0.7
69.03449	0.8
71.01378	5.7
71.72112	0.6
73.02950	1.4
81.03436	1.0
81.12478	0.7
83.01405	1.0
83.05022	0.8
85.02954	3.7
87.00862	0.7
89.02457	3.5
93.03459	5.7
95.01328	0.7
97.06561	0.8
101.02467	3.7
106.04234	1.6
107.05027	5.0
109.02942	4.9
111.00867	2.2
113.02444	2.5
116.92835	5.4
119.03467	1.5
119.05033	5.8
121.06586	1.1
123.00885	1.3
123.04538	1.0
127.00428	1.0
134.03732	1.0
135.04526	83.2
136.04846	1.9
137.02437	30.3
138.03250	3.7
138.21294	0.7
147.57545	0.7
149.06082	2.4
151.03992	3.8
152.04793	9.3
153.05557	4.1
160.03979	1.5
161.04515	1.0
163.36494	0.8
173.06033	1.5
187.07397	0.8
191.05644	1.7
199.07677	2.1
201.09483	0.8
202.06270	0.8
205.08694	3.0
215.07042	1.3
223.07738	1.0
225.05598	1.0
239.07225	1.0
241.08696	46.9
242.09105	3.4
243.06612	64.0
244.06940	3.3
249.10065	0.9
255.10201	7.2
258.08954	90.4
259.09259	7.3
273.11310	100.0
274.11658	6.1
321.15451	2.2
417.28403	1.2
420.14371	4.0
435.22162	2.6
435.30255	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	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03444	1.9
58.00601	0.9
59.01378	100.0
60.01716	1.1
61.98828	0.8
69.88797	0.3
71.01382	42.3
72.01736	0.8
72.99316	1.2
73.02951	1.8
80.44994	0.4
83.01395	2.2
85.02950	8.0
87.00418	0.3
87.00834	1.6
87.04517	5.2
89.02444	43.7
90.02293	0.4
90.02799	0.5
95.01402	3.0
101.02441	25.5
103.04011	9.0
107.05028	13.1
108.05426	0.6
113.02447	15.5
119.03504	21.7
120.03814	0.4
122.03763	0.5
123.66653	0.4
131.03506	1.5
135.04544	0.5
140.83319	0.3
143.03474	2.1
149.04582	1.3
161.04608	1.5
179.05606	2.1
191.05574	0.3
198.40373	0.3
224.04892	0.6
225.05559	5.6
226.05983	0.5
239.07121	3.4
240.07849	1.8
241.76108	0.3
255.10254	29.1
256.10709	1.3
273.11292	10.2
274.11703	0.7
435.16418	6.2
436.17249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.1
59.01377	4.4
61.98816	0.2
65.03183	0.1
67.01894	0.3
68.20748	0.1
69.03439	0.2
69.50479	0.3
69.50880	0.3
71.01379	2.8
73.02945	1.2
83.01388	0.4
85.02951	1.1
85.63042	0.1
85.63570	0.1
87.00881	0.3
87.04494	0.1
89.02444	0.7
93.03454	8.0
94.03790	0.2
95.01379	0.2
98.22547	0.2
99.00863	0.4
101.02438	1.9
108.02174	1.7
109.02985	0.3
113.02452	1.9
119.03503	0.2
120.02143	0.2
121.02953	100.0
122.03721	3.5
123.04531	0.2
125.02434	0.1
134.03731	0.4
135.04523	0.9
136.05266	1.5
143.03452	0.2
143.10759	0.1
147.04500	0.4
150.03200	1.5
151.04018	0.6
151.07616	1.2
159.02997	0.4
161.02403	0.2
161.04552	1.3
162.03200	0.5
173.04547	0.2
175.03964	0.1
176.04683	0.2
191.05605	0.2
235.51807	0.1
241.08755	0.2
255.06764	0.2
255.10240	0.2
256.07379	0.2
257.08145	0.7
258.08939	2.1
259.09381	0.2
269.11816	0.2
271.09827	1.0
272.10526	44.2
273.11288	73.3
274.11633	4.4
281.08765	0.3
285.11227	0.9
287.12717	0.7
297.11279	1.0
298.11807	0.2
305.10306	0.2
315.12366	4.8
316.12717	0.3
321.19128	0.3
327.12357	1.8
332.18140	0.2
345.13477	0.2
349.18665	0.2
350.18738	0.2
435.16791	1.0
435.29526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
61.98827	4.6
63.68832	0.5
66.54899	0.5
69.26521	2.9
71.01372	3.2
73.02942	2.0
74.53515	0.5
75.49111	0.5
85.01900	0.6
85.02969	1.4
87.00890	0.7
92.67139	0.5
93.03453	1.3
97.02945	0.9
101.02444	2.4
106.04235	1.5
109.02940	1.5
113.02426	0.9
121.02951	21.0
122.03774	3.4
123.04532	3.2
132.51073	0.5
137.02434	1.3
137.06139	0.7
138.03203	1.1
139.04054	1.3
139.30058	0.6
151.03998	12.4
151.05209	0.7
151.25037	0.6
152.04796	19.3
152.99556	0.6
153.05119	0.7
155.03479	0.7
161.02367	0.5
161.04593	1.8
166.02757	1.1
173.04552	0.8
187.07654	0.7
213.09196	9.3
215.10745	0.6
219.97646	0.7
227.10777	1.6
230.09424	1.7
231.10246	1.0
241.08789	1.5
258.08948	27.3
259.09256	1.7
264.37482	0.6
271.09628	0.8
272.10507	0.7
273.11310	100.0
274.11694	6.9
435.10971	0.7
435.16733	11.4
435.22208	0.7
436.16711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1811
Annotation	Derrisisoflavone C
Peak:m/z	Relative Intensity
53.01540	0.9
59.01366	3.3
61.98797	1.0
69.79816	1.6
69.80164	2.4
73.32751	0.9
73.90042	0.9
85.00432	4.1
85.46461	0.9
86.61420	0.9
92.92727	1.1
95.01387	1.2
99.00857	2.3
107.05025	1.3
109.02910	1.6
111.00863	7.3
121.02927	1.7
123.00871	3.4
124.01635	3.3
125.02445	5.6
135.04596	2.1
136.01668	1.6
136.05284	2.4
137.02441	4.3
138.03224	1.1
138.96103	0.9
139.00378	7.4
140.01143	4.0
141.01952	17.0
148.05296	12.1
149.02441	2.1
151.04016	1.3
159.04596	1.1
161.02399	2.6
164.01186	2.1
165.01917	8.9
171.79353	0.9
177.01930	3.7
178.02635	1.3
179.03496	10.6
180.04292	5.2
192.04309	2.1
195.06712	2.0
207.06612	3.8
225.09259	2.0
226.06335	1.4
226.09880	1.2
227.10730	14.2
237.09221	3.1
239.07118	1.8
239.10757	26.9
240.07892	2.9
240.11293	1.0
251.10832	7.2
253.08600	1.4
253.12407	2.3
256.07208	1.5
256.10974	1.8
268.07349	1.2
269.04791	1.6
269.08112	1.3
270.05350	2.8
271.05890	1.0
277.12469	1.3
279.10327	3.9
281.11722	2.5
283.05981	1.3
284.06812	9.8
285.07419	1.4
287.42221	1.1
292.07126	1.0
303.14038	1.1
331.13412	3.2
347.12711	1.9
349.14246	1.1
355.45538	0.9
359.12866	3.2
375.12390	14.8
377.13760	3.6
387.12320	6.0
389.13901	1.0
390.14667	16.0
391.15234	2.8
402.14810	3.5
405.13174	23.3
405.17184	37.2
406.12912	1.9
406.17947	4.6
417.17102	9.2
420.15707	24.2
421.16153	2.6
435.18112	100.0
436.18451	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	435.1809
Annotation	Derrisisoflavone C
Peak:m/z	Relative Intensity
53.74037	1.3
59.01381	1.5
61.98825	2.1
71.27055	1.2
88.54829	1.4
95.01340	1.2
99.00874	3.1
100.53278	1.4
108.02151	2.2
111.00873	6.5
119.65211	1.2
123.00899	2.5
124.01606	3.1
125.02435	5.4
136.05350	2.2
137.02426	3.1
139.00360	6.6
140.01154	4.4
141.01944	19.3
147.01747	1.3
148.05316	12.0
149.02455	1.9
151.03963	2.7
152.99617	2.7
160.01680	1.7
161.02481	2.2
162.83907	1.6
164.01216	2.1
165.01961	9.9
177.01921	3.8
179.03442	10.1
180.04245	4.9
192.04222	2.6
195.06662	3.8
207.06572	6.4
221.15509	2.5
226.06444	2.0
227.10783	11.8
236.10515	1.3
237.09146	2.7
239.10785	27.6
240.11090	1.4
251.10834	7.0
253.12288	2.8
256.07315	1.3
270.05533	1.9
279.10156	3.2
281.11713	2.3
284.06790	10.1
315.37665	1.5
331.13348	2.9
349.14377	1.7
359.12820	2.2
360.10022	1.6
375.12216	14.5
375.16519	2.0
376.12244	1.5
377.13852	2.2
387.12207	5.6
390.14740	14.0
391.15237	2.4
405.13190	23.7
405.17203	27.3
406.17615	2.0
417.17197	3.8
420.15775	23.6
421.15775	1.7
435.18085	100.0
436.18411	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.4
61.98818	48.5
69.32155	43.8
73.02967	13.3
83.23030	13.9
87.04467	14.5
113.02485	20.1
122.47979	13.3
191.05560	26.1
336.34549	19.5
377.01694	18.2
435.16089	20.5
435.21365	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	435.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80658	7.2
55.92643	6.5
59.01374	100.0
61.98824	14.3
62.51641	6.9
69.20419	8.2
69.31268	14.6
69.31667	22.5
71.01372	8.3
74.12218	7.9
77.99963	7.3
85.02946	7.6
98.21834	12.8
101.02439	8.9
106.33960	7.5
106.37595	6.8
121.02962	7.4
127.04004	18.3
146.93161	6.7
178.08688	8.0
236.26881	7.5
262.14615	8.7
263.14835	17.5
273.11224	18.0
309.69470	8.1
356.41046	7.6
435.21136	8.6
448.06952	8.2
451.26917	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	435.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01675	0.7
55.01909	3.1
57.03465	1.3
59.01378	10.6
61.98820	4.6
67.01905	0.8
69.03458	3.8
70.98840	0.7
71.01380	3.7
73.02952	7.1
73.04095	0.9
74.02518	1.9
81.03471	1.3
83.05025	5.3
84.06231	0.7
85.02953	1.3
87.00909	0.8
89.02460	1.4
93.03487	1.0
95.05037	1.2
97.02950	14.2
97.06568	0.7
99.04523	0.7
101.02433	1.8
105.07139	1.1
107.05066	2.5
111.04517	9.8
111.08250	0.8
112.01699	2.4
112.04087	0.6
113.02507	1.6
115.04026	0.8
118.79256	0.6
119.03533	1.0
120.99568	0.7
121.02986	2.3
121.06590	4.9
122.03770	0.9
123.04556	3.3
123.08161	13.1
125.06126	2.2
127.04021	7.4
128.04326	1.6
129.72246	0.7
130.08777	1.6
135.04561	1.0
137.02463	2.0
137.06090	1.2
137.09758	0.6
139.04016	1.4
139.07596	1.0
144.00624	0.8
149.06070	12.8
150.03241	1.4
151.04001	14.8
151.07582	3.8
152.04788	1.0
153.05594	1.4
157.08684	0.7
161.30759	0.7
165.05566	56.1
166.06030	1.1
167.07133	100.0
168.07443	3.9
181.08699	1.0
183.03096	0.9
183.07869	0.8
191.05577	1.2
191.07140	1.0
201.11281	0.9
203.10629	0.8
229.08641	2.3
242.11824	0.8
249.69022	0.7
255.10245	1.0
258.03604	3.5
273.05942	1.4
273.11325	40.3
274.11557	2.9
290.17676	0.8
330.79962	0.8
360.21439	2.6
361.22250	1.2
373.22180	1.6
374.23102	2.2
391.19312	2.0
391.23520	1.1
392.24045	1.1
397.24335	1.5
399.25778	3.1
404.20377	2.3
418.21912	2.5
435.12317	2.2
435.21762	23.6
435.26822	1.5
436.23438	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	435.2515
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
50.68397	0.2
51.24441	0.2
55.81580	0.2
56.63412	0.2
61.98813	0.2
62.96396	0.2
63.96861	0.3
69.52384	0.9
78.95901	55.1
96.96961	6.9
105.27251	0.2
120.19058	0.2
127.86995	0.3
150.98021	1.9
152.99585	100.0
153.99930	1.0
171.00645	4.5
225.22325	0.3
267.23257	0.4
268.57843	0.3
271.22867	0.5
280.44742	0.2
281.24872	1.2
293.17627	0.3
435.25156	8.8
435.31110	0.4
436.25757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2518
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
71.41425	0.8
78.95905	55.1
96.96958	4.1
97.56178	0.9
115.08378	0.8
150.44839	0.9
150.98039	2.4
152.99583	100.0
153.99954	1.4
154.99948	0.9
171.00679	3.9
194.64735	0.8
266.23904	0.8
267.23285	3.8
281.24875	1.2
435.25186	13.2
436.25610	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	435.2749
Annotation	Lancifodilactone F
Peak:m/z	Relative Intensity
58.01453	0.5
59.01281	0.5
61.34350	0.4
61.98691	1.3
63.31877	0.5
69.92282	1.3
78.95781	0.8
79.95964	0.4
93.03318	0.6
95.01270	1.0
100.48842	0.4
105.03333	0.9
106.04073	18.5
106.04848	2.3
107.04859	17.5
107.05658	2.1
107.94997	0.5
109.02768	5.5
121.02774	6.2
122.03552	2.7
123.00753	0.7
133.02795	0.8
135.04395	0.9
135.60153	0.5
137.02217	1.3
138.02982	0.5
150.03217	11.4
151.04013	11.5
151.05107	0.6
152.99443	1.1
236.97150	0.5
268.74878	0.4
271.22583	1.5
391.28528	100.0
392.28857	9.2
435.27563	25.8
435.33679	0.7
436.28165	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	435.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05563	0.3
78.95901	47.2
92.92827	0.4
96.96960	5.3
99.92601	1.0
150.98029	1.3
152.99583	100.0
153.99910	0.9
171.00615	4.1
185.61563	0.5
185.63197	0.3
227.11844	0.3
267.23309	1.1
281.24826	1.2
346.96094	0.3
363.25250	0.4
435.25110	10.1
435.31036	0.6
436.19568	0.6
436.25500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3114
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
50.34571	1.6
56.34703	1.7
56.94467	1.4
57.03436	3.7
69.43701	6.7
72.02895	1.8
78.95901	67.3
83.01412	4.3
92.92810	1.5
93.23871	1.6
95.97623	1.6
96.18166	1.6
96.96956	5.8
150.98085	1.6
152.99583	100.0
171.00688	3.3
210.62256	1.6
307.30011	11.8
307.33020	1.9
321.27887	2.3
342.64066	1.6
347.33203	2.6
349.31070	29.8
350.31122	2.3
363.32352	2.0
367.32043	3.1
391.32135	37.5
392.32434	2.6
435.25128	18.0
435.31116	76.9
436.31613	8.2
457.89380	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	436.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
61.00428	1.7
61.98829	100.0
69.03451	0.4
69.53397	1.4
71.01387	2.2
83.01382	0.7
85.02973	1.0
87.00877	0.5
89.02473	1.4
96.96026	0.9
99.92593	0.9
100.93374	3.4
101.02471	1.1
108.02200	0.5
111.00890	0.7
113.02448	1.3
115.03992	0.5
115.92078	3.2
116.92857	3.2
119.03566	0.4
119.05050	1.4
139.04056	1.4
141.76662	0.3
142.94392	0.5
145.02953	1.0
157.05122	0.3
160.04056	0.5
161.04576	1.1
163.04056	1.0
167.03523	0.6
191.05569	0.5
201.04085	1.1
210.97078	1.2
217.18652	0.4
228.98041	2.5
262.96552	0.4
291.08713	0.6
323.13632	1.0
346.48367	0.4
357.00815	0.5
375.01840	1.3
407.01031	1.4
436.19794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75613	0.6
51.45759	0.5
55.01867	1.9
57.03439	0.8
58.56995	0.5
59.01379	14.5
61.98829	100.0
66.03487	0.9
67.01884	3.7
69.03458	1.2
69.10264	3.7
70.02980	1.0
71.01382	5.5
73.02959	1.8
83.01379	0.8
83.05032	0.9
84.04560	1.8
85.02468	0.5
85.02939	2.8
87.00883	0.7
87.04496	0.7
87.83396	0.5
88.69370	0.6
88.86029	0.5
89.02435	2.7
93.03462	0.8
95.01404	1.4
95.05050	1.3
97.02971	0.9
97.06611	1.2
99.04533	1.6
101.02433	3.2
109.02932	1.4
111.00883	11.0
111.04556	1.2
112.01668	2.9
113.02497	3.1
113.06104	3.3
115.04008	1.5
119.03530	1.1
121.02956	1.6
121.06628	0.6
123.04539	1.6
127.00403	2.1
127.04010	5.9
128.04359	2.5
129.04652	0.6
129.05595	0.9
135.04619	0.8
137.02498	1.2
137.06102	1.5
138.03252	0.6
139.04021	13.6
139.07654	1.3
141.02003	0.8
143.03502	15.3
143.04607	0.9
144.00656	1.4
152.04715	0.6
153.01865	0.5
153.05595	1.4
154.08755	1.7
154.99928	0.7
157.05067	0.7
159.03003	1.4
160.04056	0.9
161.04590	1.8
165.12804	0.7
170.02191	0.6
171.02982	4.7
175.07574	0.8
178.12451	0.7
180.10332	0.7
184.84189	0.5
191.05676	1.3
191.10852	1.8
193.12398	0.9
201.04013	5.0
201.11378	1.2
209.11879	2.4
231.06601	1.0
258.15115	1.4
261.13971	0.6
275.05566	1.3
275.09219	0.6
276.16110	3.4
291.15952	0.6
292.15698	0.9
294.17233	2.4
307.15411	0.9
323.07483	1.8
323.13391	3.7
359.17279	0.7
360.18344	0.9
374.19714	2.2
376.16293	1.0
377.18195	1.2
392.20651	0.6
404.17270	2.6
435.26318	0.7
436.19077	4.2
437.20938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75613	0.6
51.45759	0.5
55.01867	1.9
57.03439	0.8
58.56995	0.5
59.01379	14.5
61.98829	100.0
66.03487	0.9
67.01884	3.7
69.03458	1.2
69.10264	3.7
70.02980	1.0
71.01382	5.5
73.02959	1.8
83.01379	0.8
83.05032	0.9
84.04560	1.8
85.02468	0.5
85.02939	2.8
87.00883	0.7
87.04496	0.7
87.83396	0.5
88.69370	0.6
88.86029	0.5
89.02435	2.7
93.03462	0.8
95.01404	1.4
95.05050	1.3
97.02971	0.9
97.06611	1.2
99.04533	1.6
101.02433	3.2
109.02932	1.4
111.00883	11.0
111.04556	1.2
112.01668	2.9
113.02497	3.1
113.06104	3.3
115.04008	1.5
119.03530	1.1
121.02956	1.6
121.06628	0.6
123.04539	1.6
127.00403	2.1
127.04010	5.9
128.04359	2.5
129.04652	0.6
129.05595	0.9
135.04619	0.8
137.02498	1.2
137.06102	1.5
138.03252	0.6
139.04021	13.6
139.07654	1.3
141.02003	0.8
143.03502	15.3
143.04607	0.9
144.00656	1.4
152.04715	0.6
153.01865	0.5
153.05595	1.4
154.08755	1.7
154.99928	0.7
157.05067	0.7
159.03003	1.4
160.04056	0.9
161.04590	1.8
165.12804	0.7
170.02191	0.6
171.02982	4.7
175.07574	0.8
178.12451	0.7
180.10332	0.7
184.84189	0.5
191.05676	1.3
191.10852	1.8
193.12398	0.9
201.04013	5.0
201.11378	1.2
209.11879	2.4
231.06601	1.0
258.15115	1.4
261.13971	0.6
275.05566	1.3
275.09219	0.6
276.16110	3.4
291.15952	0.6
292.15698	0.9
294.17233	2.4
307.15411	0.9
323.07483	1.8
323.13391	3.7
359.17279	0.7
360.18344	0.9
374.19714	2.2
376.16293	1.0
377.18195	1.2
392.20651	0.6
404.17270	2.6
435.26318	0.7
436.19077	4.2
437.20938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98828	31.9
71.09283	4.9
106.04241	3.5
108.02172	15.7
123.04520	37.2
125.87343	2.7
127.87033	2.7
141.88559	2.4
148.05293	22.3
184.94678	2.8
239.07080	6.2
269.11835	100.0
270.12134	5.4
291.74310	2.5
329.11984	3.3
361.14273	8.2
376.12448	2.9
391.14825	4.3
393.17093	18.4
406.17407	9.6
418.57700	2.4
421.16211	3.6
436.18417	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1975
Annotation	Cyclazosin
Peak:m/z	Relative Intensity
53.00290	2.8
55.01878	14.4
57.03452	14.7
59.01377	29.7
61.98816	5.2
65.00306	10.7
67.01870	11.7
68.99805	4.8
69.03452	5.5
69.73702	8.6
71.01378	22.0
71.05013	3.7
73.02940	4.7
77.92773	2.5
81.03446	3.1
82.06627	2.6
82.95415	4.8
83.01384	100.0
83.05016	10.0
84.01718	2.6
84.04544	7.0
85.02952	17.1
87.00861	5.5
89.02446	6.2
93.03475	5.0
95.05011	5.7
96.95985	6.3
96.99306	77.5
97.02956	22.0
97.06570	4.4
99.00867	6.1
100.93330	3.3
101.02427	5.4
107.05058	4.8
108.02162	2.8
109.02876	4.0
109.06585	58.9
110.06908	2.6
111.00876	98.5
111.04505	3.6
112.89526	2.7
113.02446	51.2
115.04004	11.7
121.02958	3.4
122.03755	6.2
122.09735	6.4
123.04538	14.0
125.02423	8.4
127.00378	18.9
127.03951	3.1
129.01936	75.2
135.04507	8.1
137.02438	18.4
137.06039	3.6
139.03987	16.7
142.99861	9.9
143.03487	6.9
147.08130	3.5
150.05582	3.2
151.03983	21.8
152.04744	6.4
159.02977	21.4
161.04601	5.5
161.05992	6.0
166.06384	17.4
167.07080	11.4
168.10178	5.0
169.05046	3.2
170.99329	4.6
187.02441	14.8
191.05623	3.6
192.13881	9.4
201.03912	4.8
220.13423	3.7
222.14951	4.6
232.16998	7.9
234.18666	10.7
260.16571	2.8
270.18661	3.6
276.15964	9.3
278.17609	60.7
286.17917	5.7
287.18939	3.9
294.17072	26.1
295.40714	2.8
298.18033	13.9
302.17551	6.1
302.21152	4.9
314.17554	14.0
315.18262	8.0
316.19080	13.5
322.11349	3.4
322.16412	5.3
330.17032	21.8
330.20825	9.7
332.18628	4.8
342.17197	13.9
347.17194	3.3
357.00687	5.1
360.18134	58.6
362.19614	5.8
374.19739	18.9
377.18506	5.8
386.16113	39.6
392.20770	5.1
404.17099	9.0
406.18692	6.2
424.25342	2.8
436.06976	3.5
436.13425	4.6
436.19684	96.9
437.20477	6.0
460.69434	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	436.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.7
61.98827	100.0
63.88892	0.5
69.35056	2.4
71.01398	0.9
72.72630	0.5
87.00877	0.8
101.02504	0.6
101.48906	0.6
111.82219	0.5
122.03746	0.9
123.04055	0.7
144.27942	0.5
169.06085	1.0
179.91107	0.5
198.03142	0.5
228.99388	0.6
247.20222	0.5
273.11307	1.1
274.11612	3.3
279.96896	0.6
301.11636	0.6
402.97183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.01707	0.6
61.01795	1.0
61.98829	100.0
69.10203	2.4
71.01385	0.6
75.51672	0.3
85.02941	0.4
127.45118	0.4
132.04564	0.9
135.04498	0.5
155.20450	0.5
160.04031	11.7
160.05318	0.6
161.02498	0.8
191.05623	0.4
204.45901	0.4
275.09412	0.7
322.09323	3.3
427.30206	0.4
436.19754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97825	0.5
55.01870	1.8
57.03441	1.9
59.01364	2.3
61.98826	1.0
67.01881	1.1
69.03454	16.7
69.38271	2.4
69.38603	0.5
71.01389	0.6
71.04990	1.1
73.02944	4.2
83.05011	0.6
85.02949	2.3
87.00871	0.9
89.02431	0.6
93.03452	2.1
95.05041	0.8
97.02945	85.7
98.03275	1.5
109.02982	0.9
111.04509	1.5
112.01644	1.2
113.02479	4.1
114.02761	1.0
115.04019	1.8
116.04346	0.6
118.98077	0.8
121.02975	1.0
121.06590	1.1
123.04527	1.4
123.10079	0.6
125.02430	0.7
125.06113	0.5
127.03987	1.4
128.04353	0.7
134.03702	0.8
137.02397	0.8
137.06117	0.7
138.03183	0.9
139.00369	0.7
139.04048	4.6
140.04343	2.0
141.04497	1.7
149.06102	0.7
150.03133	0.8
151.03851	0.6
151.07680	2.5
152.08012	1.2
153.05432	0.8
165.05573	0.6
165.09206	0.8
166.08549	0.6
167.07129	1.5
168.07523	0.8
173.04567	5.3
191.05579	0.8
200.14311	0.5
201.11377	1.0
230.14172	0.6
242.15475	0.8
243.15758	0.7
273.11310	1.0
274.11719	2.8
279.12256	0.5
286.17572	0.7
302.17542	1.2
303.17758	1.6
304.15250	0.5
304.18127	2.9
315.13861	0.8
316.21918	1.1
330.24390	1.0
342.19876	1.8
358.13702	0.9
358.20081	1.3
359.20297	1.1
360.20969	5.7
363.23810	1.6
367.10361	1.0
374.23111	2.7
390.22174	0.6
392.24182	3.9
393.24213	0.6
404.20139	4.7
418.21686	5.8
436.22711	100.0
437.22830	6.6
437.28226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02684	0.5
55.01863	2.4
57.03454	0.7
59.01376	4.1
61.51739	0.5
61.98830	1.0
64.60819	0.6
64.76662	0.6
66.03458	0.5
69.03446	1.1
70.60204	0.6
71.01366	1.0
71.05001	1.1
73.02938	2.0
85.02942	0.8
87.04523	0.8
89.02450	0.8
93.03458	1.1
93.52770	0.7
96.96027	3.6
97.02948	3.1
98.03731	1.0
99.92587	2.7
100.93356	6.7
101.02449	0.7
108.92828	0.6
112.01643	3.1
113.02412	2.0
115.04060	0.8
115.92062	7.2
116.92843	5.1
117.03436	1.2
119.05013	3.4
125.02451	1.6
125.06099	0.9
127.03999	1.9
132.04568	1.7
137.02426	1.1
138.02861	0.7
142.94386	0.8
145.02963	1.9
152.04832	1.0
153.05556	2.1
160.04028	14.4
161.04445	0.8
163.03995	2.2
168.96019	0.8
184.97688	1.5
191.05623	1.9
195.06311	0.6
201.11328	1.7
203.51707	0.6
207.34830	0.6
210.97009	2.2
214.00450	0.6
218.97592	0.9
246.96922	1.2
262.96631	0.8
289.02283	1.2
290.02734	2.0
304.15469	2.6
306.17151	1.0
315.14420	0.8
318.17154	1.8
322.09314	5.0
323.09891	0.7
323.13300	3.3
330.16690	0.6
357.00687	12.4
360.21841	0.8
375.01724	0.9
386.19797	0.7
404.20779	13.2
405.21027	1.0
418.22162	1.4
436.06662	4.4
436.23370	100.0
437.23865	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	436.2829
Annotation	phosphoethanolamine (P-16:0)
Peak:m/z	Relative Intensity
58.23086	0.3
59.01375	6.8
61.98822	0.4
62.54863	0.3
62.96409	1.0
68.02850	0.3
69.30577	1.7
78.95901	100.0
96.96970	1.1
103.01490	6.2
103.92021	1.1
122.00144	2.4
122.89419	1.6
125.87325	7.1
126.88100	6.7
139.88884	1.1
140.01187	16.2
152.99600	1.0
157.86305	1.1
183.87903	0.6
196.03784	4.5
204.04692	0.4
217.00757	0.8
222.08826	0.7
260.99869	4.7
262.00531	2.2
288.99521	1.5
290.00177	0.5
292.98785	0.5
296.97546	6.0
324.97012	1.2
329.02588	0.6
393.24591	0.7
400.11130	2.9
401.11703	1.5
432.09808	0.8
436.08865	5.6
436.28308	67.6
437.28586	5.8
439.34549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.2
59.01382	13.0
61.98829	1.0
67.96725	0.7
69.03419	0.8
70.78358	1.1
71.01389	4.6
73.02940	1.2
83.01404	0.9
83.93121	0.9
84.93840	0.9
85.02934	2.1
87.00867	1.6
89.02457	4.1
93.03457	1.3
97.02937	1.7
99.00847	4.1
99.92589	19.2
100.93362	67.6
101.02425	4.0
101.93368	2.5
108.02170	1.2
110.95425	0.8
113.02454	3.2
115.49280	0.6
115.92075	50.7
116.92133	2.3
116.92857	44.5
117.03476	8.6
117.92870	2.0
119.03635	1.2
119.05026	29.3
120.05331	0.7
122.95396	0.8
125.02431	1.5
125.06054	1.0
125.09709	1.0
126.94936	2.8
127.11292	0.8
134.03752	3.3
135.04475	0.8
139.04013	2.9
142.94415	3.9
145.02931	9.8
152.96532	6.0
161.04517	1.7
163.04013	19.8
164.04352	0.8
167.95241	2.2
168.95979	7.1
171.10324	1.1
173.04488	0.8
182.97420	0.8
184.97124	0.9
186.98592	0.8
191.05576	2.0
192.95973	3.1
200.96469	1.0
201.04001	2.0
201.11316	30.7
202.97987	4.5
207.94629	0.8
210.97032	29.2
211.97186	1.6
214.98041	0.9
215.95197	1.0
216.95993	0.7
217.96756	2.4
218.97548	6.0
228.54474	0.9
228.98123	2.1
230.97511	4.5
231.10152	1.0
232.95392	0.8
234.97046	2.5
235.71344	0.7
238.59433	0.7
244.95448	1.1
244.99074	1.6
245.96220	0.9
246.97025	15.4
250.96526	0.9
253.09331	7.3
256.99002	3.6
260.95087	0.8
262.96497	4.9
278.96228	1.4
291.08725	4.0
323.13452	4.9
323.17157	3.5
330.99338	1.2
357.00708	100.0
358.00919	12.2
369.34363	0.8
375.01669	2.5
428.46277	0.7
437.01559	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	437.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.2
59.01382	13.0
61.98829	1.0
67.96725	0.7
69.03419	0.8
70.78358	1.1
71.01389	4.6
73.02940	1.2
83.01404	0.9
83.93121	0.9
84.93840	0.9
85.02934	2.1
87.00867	1.6
89.02457	4.1
93.03457	1.3
97.02937	1.7
99.00847	4.1
99.92589	19.2
100.93362	67.6
101.02425	4.0
101.93368	2.5
108.02170	1.2
110.95425	0.8
113.02454	3.2
115.49280	0.6
115.92075	50.7
116.92133	2.3
116.92857	44.5
117.03476	8.6
117.92870	2.0
119.03635	1.2
119.05026	29.3
120.05331	0.7
122.95396	0.8
125.02431	1.5
125.06054	1.0
125.09709	1.0
126.94936	2.8
127.11292	0.8
134.03752	3.3
135.04475	0.8
139.04013	2.9
142.94415	3.9
145.02931	9.8
152.96532	6.0
161.04517	1.7
163.04013	19.8
164.04352	0.8
167.95241	2.2
168.95979	7.1
171.10324	1.1
173.04488	0.8
182.97420	0.8
184.97124	0.9
186.98592	0.8
191.05576	2.0
192.95973	3.1
200.96469	1.0
201.04001	2.0
201.11316	30.7
202.97987	4.5
207.94629	0.8
210.97032	29.2
211.97186	1.6
214.98041	0.9
215.95197	1.0
216.95993	0.7
217.96756	2.4
218.97548	6.0
228.54474	0.9
228.98123	2.1
230.97511	4.5
231.10152	1.0
232.95392	0.8
234.97046	2.5
235.71344	0.7
238.59433	0.7
244.95448	1.1
244.99074	1.6
245.96220	0.9
246.97025	15.4
250.96526	0.9
253.09331	7.3
256.99002	3.6
260.95087	0.8
262.96497	4.9
278.96228	1.4
291.08725	4.0
323.13452	4.9
323.17157	3.5
330.99338	1.2
357.00708	100.0
358.00919	12.2
369.34363	0.8
375.01669	2.5
428.46277	0.7
437.01559	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	437.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
59.40598	0.6
60.29860	0.6
61.98820	1.6
65.69688	0.6
71.01374	1.5
73.02984	0.7
73.31187	0.6
79.95735	39.2
80.60182	0.6
82.14188	0.5
84.03465	0.6
85.02956	1.0
89.02438	0.7
90.52631	0.6
93.03455	0.8
96.96005	3.9
98.22620	1.1
100.67979	0.6
101.02402	1.1
106.82116	0.6
108.02160	0.9
109.03034	0.7
121.02942	3.3
122.03722	3.8
130.63142	0.6
134.03789	0.8
136.01660	62.3
137.02379	1.4
149.67473	0.6
151.04005	89.5
152.04372	2.5
159.04472	0.7
160.05301	1.0
161.02458	0.8
162.03195	1.4
163.04015	1.3
173.04565	0.7
175.07645	1.3
177.05635	0.9
187.11160	0.6
191.05605	1.0
203.07155	0.6
231.10333	1.4
232.10626	2.0
233.11771	1.7
311.12927	0.8
324.18195	0.8
342.11050	6.3
350.14145	0.7
357.13477	12.1
358.13898	0.7
395.00626	0.6
437.09085	100.0
438.09442	9.2
438.21204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17628	0.3
59.01379	4.2
61.98839	2.1
69.03458	1.9
71.01382	1.8
71.43114	0.3
73.02942	1.1
75.20718	0.2
82.75480	0.3
85.02944	0.9
87.00873	0.5
89.02447	0.9
93.03457	0.9
101.02444	0.9
105.03442	0.9
109.02957	0.7
113.02447	9.7
114.02710	0.3
117.03477	3.7
117.05663	0.3
119.03516	0.6
120.99639	0.3
121.02903	0.4
123.04526	1.3
124.55061	0.3
133.02959	6.0
135.04514	0.4
137.02501	0.4
145.06229	0.3
158.06097	0.8
161.02440	100.0
161.88835	0.3
162.02783	2.9
173.04518	1.1
191.05597	1.8
201.09225	0.3
215.07083	3.9
229.08670	0.6
333.18387	0.5
338.35403	0.3
364.15353	0.3
378.84000	0.3
437.24216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.2
59.01381	44.2
61.96901	3.8
61.98824	30.1
71.01384	35.9
71.40651	3.5
73.02951	32.4
78.29138	4.0
85.02959	23.3
89.02449	41.5
93.03430	4.2
100.93320	5.9
101.02415	18.8
104.84138	3.9
113.02414	18.0
115.04010	11.4
115.92078	7.4
116.92865	5.5
117.65820	4.0
119.03487	16.5
119.25529	3.6
129.10287	4.8
130.08772	4.8
135.41939	3.6
137.02412	7.0
143.03484	6.4
151.11270	7.6
161.04497	15.0
161.09717	4.1
167.83986	3.7
179.05641	25.5
179.10744	15.6
186.46898	4.2
199.86905	3.7
221.11821	51.7
245.08386	3.8
269.10229	9.4
330.24329	4.5
341.02145	3.8
357.22021	9.4
374.23328	11.5
375.23752	26.6
401.14417	59.1
401.23602	5.4
418.22360	21.8
419.22653	30.8
436.23395	41.5
437.11685	25.6
437.16052	26.1
437.23605	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	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72467	1.0
59.01378	100.0
61.98830	1.7
71.01376	10.8
73.02950	3.6
78.53468	0.9
83.01392	1.6
85.02958	4.7
89.02422	2.9
98.21806	2.1
99.00895	1.5
101.02422	5.8
102.26046	0.9
113.02434	4.7
119.03488	1.0
135.04561	4.6
142.77208	1.1
161.04572	5.2
179.03474	3.3
222.85202	1.1
315.18094	7.6
357.19092	1.9
368.28122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65347	1.0
51.97532	0.8
55.01873	1.5
57.03445	1.8
59.01379	86.1
61.98820	2.5
69.03456	1.4
69.47459	4.1
71.01381	37.9
72.99333	1.8
73.02942	4.1
80.39182	0.9
80.91664	2.2
83.01396	2.5
85.02946	7.5
87.00879	2.5
87.04501	1.7
88.98799	2.0
89.02443	38.9
93.03468	1.8
95.01379	2.7
98.21943	2.2
99.00878	2.3
101.01784	2.0
101.02443	26.2
107.04995	0.9
109.02917	1.3
113.02452	20.3
113.06081	2.5
114.02780	1.1
115.04021	2.5
116.92842	1.4
119.03500	14.6
125.02393	1.0
131.03493	4.5
135.04582	1.1
137.02493	0.9
139.04021	10.7
141.01701	3.5
143.03479	2.6
149.04556	1.6
157.05151	0.9
159.03011	1.1
159.12892	1.0
160.04109	6.3
161.04539	5.9
173.04489	2.2
179.05621	2.2
187.07503	0.9
191.05618	8.0
192.05989	0.9
201.04048	7.4
201.11264	1.2
263.89914	0.9
305.16028	1.5
322.09088	1.1
323.13455	100.0
323.16754	3.6
324.13644	5.4
351.09592	2.7
437.16052	11.1
438.16327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82668	0.4
58.00589	0.5
59.01378	34.2
61.98804	1.2
63.33104	0.4
69.25745	1.5
69.26148	0.7
71.01379	17.7
71.42720	0.4
73.02925	1.0
78.68203	0.4
79.94065	0.5
82.95422	1.0
83.01379	0.7
85.02971	4.2
87.00843	0.8
89.02442	14.7
93.03429	0.6
95.01383	1.3
101.02431	6.5
106.04233	1.0
107.05009	2.1
108.02193	0.5
108.63455	0.4
109.90286	0.4
113.02440	4.6
119.03497	5.2
119.05005	1.2
121.06584	1.1
122.03728	1.1
123.04523	1.7
125.06097	4.2
131.03499	0.8
133.06628	0.5
135.03470	0.7
135.04523	14.8
136.05301	21.0
137.06148	2.2
143.03450	0.6
149.06065	0.5
150.06854	0.8
151.04007	5.6
151.07649	35.8
152.04771	2.3
152.07968	0.9
153.05539	1.7
161.04590	0.8
179.05594	1.6
191.05513	0.5
201.09250	0.6
215.10786	0.5
227.60272	0.5
229.12268	1.1
239.10686	1.3
241.08472	0.4
242.09488	54.3
243.09805	3.2
257.11841	100.0
258.12186	6.5
271.13336	1.1
275.12817	0.9
299.13065	0.4
314.10141	2.3
327.12360	1.2
437.18179	26.2
438.18369	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	437.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74931	1.4
54.58376	1.8
59.01382	2.0
71.01375	8.9
71.05011	9.1
82.95411	18.0
85.02950	1.5
87.00878	3.9
88.04036	73.8
93.13658	1.4
97.02934	2.8
97.93700	1.7
99.04501	2.2
125.02435	1.7
131.03514	4.3
133.01421	1.8
135.04512	3.1
137.02434	1.6
146.08228	37.3
153.01939	3.2
154.06180	2.0
173.04518	5.4
191.05627	11.7
218.10316	100.0
219.10748	4.1
246.09929	2.2
276.03403	1.7
289.07263	2.4
304.75772	1.5
391.04053	1.7
438.12466	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	437.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58432	0.5
59.01379	100.0
60.01698	0.9
60.99329	0.6
61.98833	5.0
71.01375	4.8
71.02031	0.6
71.75742	0.6
73.02960	2.9
83.01387	1.1
85.02958	2.5
87.00863	0.6
89.02452	1.6
96.96001	0.7
99.00860	0.9
101.02451	4.7
101.75439	0.6
113.02459	3.2
115.69994	0.6
139.04042	0.8
161.04607	2.5
191.05573	1.3
200.58365	0.6
201.11415	1.5
207.76219	0.6
239.24075	0.7
246.63680	0.7
254.07848	0.8
260.93112	0.7
305.19647	0.7
390.53336	0.7
395.20953	2.7
437.18201	1.5
437.24518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98832	65.9
69.09230	100.0
92.10875	15.7
96.96012	24.8
100.90488	19.1
104.16954	16.0
132.20959	18.9
161.70024	16.1
191.05676	25.1
273.57190	19.2
349.14618	26.8
417.11200	17.3
457.86877	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	437.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.3
61.98828	44.7
64.55707	22.3
69.42754	100.0
75.19416	27.5
93.03429	36.9
99.73109	24.1
142.82771	24.6
291.19693	26.1
309.73181	24.0
310.30188	24.6
327.21741	26.0
340.34732	23.0
437.22986	34.8
459.57379	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.7
61.50120	0.3
61.98833	1.7
66.99806	0.2
67.68602	0.2
69.15059	0.9
69.15472	0.8
71.01393	1.2
73.02959	0.6
85.02949	0.8
89.02438	0.5
101.02470	1.3
106.86679	0.3
111.26920	0.3
113.02505	0.5
132.81143	0.3
161.04562	0.8
335.20831	2.0
377.21921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96404	1.3
59.01366	1.4
61.08398	1.5
61.98827	100.0
71.43613	1.5
96.96038	1.7
132.69618	1.5
144.09662	1.3
164.09897	1.5
192.13228	1.3
209.11839	2.9
227.12544	1.4
351.52826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20278	0.6
71.20638	0.8
74.95347	0.6
78.95901	6.2
84.57635	0.5
99.92590	0.5
107.57518	0.6
110.98540	3.6
152.99640	2.7
153.99968	0.7
155.00026	0.8
156.50946	0.5
158.84648	1.1
159.10246	0.8
167.01164	1.3
169.81200	0.6
185.02252	2.4
255.23256	2.2
269.24838	100.0
270.25235	5.6
273.52939	0.5
295.22794	1.3
320.57278	0.6
437.21616	0.8
437.26761	9.8
438.27603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01663	2.7
51.81532	2.5
53.48483	2.7
61.98811	4.5
70.46652	6.2
78.95899	19.5
88.27830	2.8
89.62621	2.9
91.25931	2.9
96.96004	3.7
100.70060	2.8
125.00047	3.8
148.32823	3.3
152.99583	7.0
165.49130	3.0
181.02710	6.2
255.23277	100.0
256.23621	8.8
263.64590	3.2
437.26599	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	437.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90248	33.6
62.97958	34.1
64.78347	37.7
69.34244	100.0
69.34650	84.9
69.81828	34.5
71.46409	37.8
94.77648	31.7
196.19600	37.9
229.59494	36.9
371.12473	40.2
434.91064	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	437.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16840	40.2
69.17249	100.0
73.51978	18.7
100.30862	21.2
124.04503	19.2
152.33537	20.8
195.91977	19.4
203.81096	22.4
277.57599	20.8
317.70984	26.3
368.56348	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55421	9.4
68.70645	11.4
69.63210	21.8
98.21912	15.1
105.01924	63.7
113.61713	10.1
187.75642	11.1
188.57336	11.5
277.18130	26.4
293.17609	26.2
305.17551	40.2
321.17163	17.4
325.18719	14.8
349.16650	17.0
437.18060	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	437.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78139	31.6
68.86562	33.2
69.36232	100.0
69.36638	67.9
78.95915	36.3
96.64297	30.8
158.68918	31.9
222.78059	32.7
255.23151	38.9
325.61798	37.5
428.25635	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90596	0.2
61.98818	1.0
69.27081	0.8
69.27482	0.6
82.38998	0.2
91.04362	0.3
98.55645	0.2
104.05001	0.2
113.02395	0.5
116.57256	0.2
132.04590	0.4
144.04538	12.5
145.04886	0.4
160.04028	1.3
161.04391	0.8
162.05598	100.0
163.03983	0.3
163.05957	2.9
188.03566	0.7
254.92638	0.3
282.65778	0.3
324.10852	16.0
325.11053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
59.01377	3.3
60.27410	0.6
61.98826	15.8
69.40302	3.4
71.01369	1.5
73.02940	7.6
74.33285	0.6
80.91660	0.7
83.01398	0.8
84.13849	0.6
85.02959	1.6
89.02438	1.2
93.03460	1.4
97.02953	1.3
98.21877	0.7
101.02432	1.1
103.04005	8.4
109.03018	0.7
113.02410	0.8
114.05599	2.5
119.05005	0.9
123.04512	1.6
125.02439	8.7
130.08652	1.0
131.03711	1.3
135.04555	0.8
137.02446	2.5
142.67418	0.7
144.04556	7.3
146.06110	100.0
146.98686	0.7
147.06425	2.3
150.20601	0.7
151.03979	2.6
157.12354	0.7
161.02429	1.4
162.05574	2.5
163.04002	1.9
167.03517	0.7
173.04617	0.8
175.36961	0.6
188.07179	3.2
190.05092	20.7
190.06783	1.3
191.05534	4.1
212.07104	0.7
243.02921	0.8
263.89429	0.7
303.08713	1.7
334.09256	5.3
352.10367	1.8
400.26199	1.5
408.12924	2.1
438.14212	2.2
438.24451	4.1
439.22034	0.7
439.29242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03851	1.0
59.01374	7.6
61.98827	100.0
62.68459	1.0
69.38315	4.8
71.79316	1.0
81.49579	1.2
99.04816	0.9
112.04031	2.5
129.47699	1.1
130.08754	2.6
162.05624	2.2
176.44055	1.0
181.04417	1.0
191.05589	1.2
438.26038	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	438.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.0
61.98832	38.1
71.01382	16.8
71.21751	8.9
79.95740	11.8
89.02452	14.9
96.96036	13.1
113.02426	9.7
121.02895	8.0
125.13403	6.9
136.01637	18.6
137.02065	13.5
138.09253	7.5
151.03999	26.3
152.04311	18.7
176.08371	11.4
182.08211	15.0
191.05653	7.0
191.10806	100.0
200.09254	12.9
220.07370	34.0
235.09723	96.7
260.38806	7.4
324.18015	17.4
438.09387	31.7
438.21613	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40651	2.5
59.01379	100.0
61.98827	9.6
69.32121	9.2
69.32530	5.5
70.82411	2.7
71.01382	14.4
73.02946	5.4
79.63584	2.8
83.37720	2.9
85.02944	5.8
89.02467	5.6
91.20123	2.8
98.22656	4.9
101.02438	7.0
104.24044	2.7
105.62656	2.5
106.07872	2.5
113.02435	9.5
132.33034	2.5
148.90363	3.1
157.63864	2.9
161.04518	4.6
167.93126	3.2
397.22293	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	438.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92080	0.4
61.98829	0.8
69.12902	2.0
69.13309	0.7
78.95904	14.4
87.65231	0.5
94.02985	6.4
98.21789	0.8
108.04559	1.5
122.00103	1.1
125.59991	0.5
140.01186	4.2
140.15300	0.5
143.90312	0.5
152.99542	1.7
164.03421	0.5
192.95897	0.6
196.03780	9.3
198.02252	0.5
214.04886	1.7
223.20587	0.7
240.28836	0.5
241.21729	100.0
242.22061	4.9
255.23294	1.3
318.44119	0.6
419.81677	0.6
438.26202	31.3
439.26526	2.1
439.76529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
60.01687	0.4
61.93787	0.4
61.98827	0.5
69.05399	2.2
78.95899	4.9
93.64495	0.4
96.96021	0.6
103.01494	3.7
103.91993	0.4
104.01862	0.6
122.89465	0.7
124.89052	0.6
127.87048	4.4
128.87831	3.8
140.01164	2.0
141.88570	0.6
152.99590	0.4
159.86035	0.8
173.72046	0.4
196.03810	0.9
214.04871	1.7
219.00520	0.5
222.08771	0.5
227.45700	0.4
241.21729	100.0
242.22070	5.4
260.99991	0.9
262.00427	0.6
262.99509	1.2
264.00647	0.5
288.99484	0.6
298.40076	0.4
298.97241	3.0
320.17633	0.4
326.96786	0.8
334.20972	0.4
379.76160	0.4
400.11295	1.1
402.11188	1.4
438.08380	5.3
438.26218	11.9
439.26501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48940	0.2
56.65267	0.3
59.01379	1.3
59.02781	0.2
69.10823	1.4
71.01389	1.1
73.02950	0.4
78.95916	0.4
85.02969	0.8
87.04532	0.6
89.02464	0.5
96.96008	3.1
96.96956	0.7
97.02982	0.3
97.04401	0.2
97.82463	0.3
99.00860	0.4
99.04563	0.3
101.02443	0.3
112.98782	0.3
113.02457	0.5
115.00363	0.5
115.03993	1.5
117.01962	0.3
125.00980	0.4
126.98875	0.9
127.02570	0.3
131.03511	0.9
136.94048	0.4
137.01021	0.4
142.99884	0.5
143.02026	0.9
143.03465	1.3
145.03552	0.6
153.00432	9.7
154.00661	0.7
155.02026	0.5
159.02988	1.4
168.98198	0.5
169.03578	0.4
170.99789	0.2
179.05661	0.4
180.96809	0.3
185.03052	0.8
187.04578	1.5
189.09244	1.5
199.00980	0.7
214.98825	0.3
216.98798	0.7
226.97232	4.9
228.98607	0.4
233.08189	1.2
236.95714	0.4
237.00917	0.9
241.01939	0.4
244.98228	1.0
251.00809	0.3
254.96727	25.0
255.96898	2.0
256.98077	0.6
258.99933	0.5
263.05759	0.8
268.98413	1.0
269.01724	0.3
272.97784	14.2
273.98007	1.1
276.98596	0.3
278.96848	2.4
279.00455	0.7
280.94678	1.3
280.97702	0.3
281.02048	0.5
282.96310	1.0
282.99515	0.3
285.01425	0.7
292.98364	2.3
294.99863	15.5
296.00143	1.1
296.97787	1.5
297.01468	2.5
298.95767	0.4
298.99353	0.5
302.96753	0.8
304.98257	3.8
306.99829	4.4
308.00034	0.4
309.01208	0.3
313.01138	0.4
320.97577	0.3
322.99347	29.1
323.99527	2.9
325.00909	49.9
326.01047	4.7
329.04007	0.4
334.99347	7.5
335.99478	0.8
339.02661	1.2
341.03644	0.6
342.44135	0.3
355.03827	0.3
360.97864	0.3
367.01895	1.0
378.98315	100.0
379.98526	9.5
383.03604	0.5
385.03018	0.9
439.00589	6.0
439.08337	1.3
440.00363	0.5
461.66098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
71.01382	0.6
78.95903	44.9
87.00869	0.4
89.02448	0.9
96.96033	26.8
96.96957	100.0
101.02425	0.4
151.22859	0.3
195.55792	0.3
341.10666	1.2
439.08505	2.1
443.22171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71409	0.3
78.95901	44.3
79.95741	0.8
93.02348	0.4
96.36694	0.3
96.96009	30.7
96.96961	100.0
98.21844	0.7
100.68524	0.3
133.96486	0.3
158.54956	0.3
240.87541	0.3
300.91888	0.4
439.08389	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	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.9
65.02784	0.3
69.84379	0.9
70.29366	0.3
71.01372	5.2
74.02463	0.4
78.95898	43.8
85.02940	0.9
87.00867	1.1
89.02440	8.2
96.96040	12.6
96.96954	100.0
98.22531	0.7
101.02419	3.1
101.02946	0.4
113.02444	2.3
119.03485	2.5
121.03015	0.3
126.57078	0.3
131.03505	0.5
143.03441	0.8
153.04306	0.4
158.04686	0.3
161.04578	0.8
179.05605	3.4
265.46634	0.3
341.10855	13.8
342.11276	0.6
439.08643	2.1
461.28021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
58.04391	0.3
59.01376	6.6
61.98818	1.4
67.01859	0.4
69.03452	0.6
69.03772	1.1
69.04193	1.3
71.01381	3.9
71.05006	0.6
73.02932	1.2
73.66267	0.3
75.37969	0.3
78.23453	0.4
79.85786	0.3
83.05019	1.7
85.02947	10.2
85.03464	0.6
85.64409	0.3
87.00867	2.4
89.02449	2.0
93.03453	19.9
93.43122	0.3
93.86975	0.3
94.03747	0.6
95.05037	0.8
96.96024	0.4
97.02954	0.3
98.22644	0.6
99.04497	0.6
100.93349	0.4
101.02431	1.9
106.04220	0.4
108.04727	0.4
109.02920	0.9
111.04501	1.7
113.02436	1.4
116.92846	0.5
117.03486	0.7
119.03471	0.6
119.05011	5.4
127.04008	2.0
130.04201	0.5
134.03700	1.0
135.04517	2.4
137.02446	0.4
138.46457	0.3
139.04044	1.0
145.02982	0.5
146.03792	0.6
147.04515	8.7
158.03694	0.5
159.04510	1.3
159.08138	1.4
161.02438	1.0
161.04520	0.6
161.06064	0.4
161.09700	1.1
163.03999	2.2
171.08165	0.9
172.05255	0.5
173.02390	0.6
173.04597	1.9
173.05913	0.5
174.03250	3.0
175.03993	8.1
179.05649	0.4
187.07619	1.2
188.08318	0.6
189.01921	3.2
189.09193	28.7
190.09555	1.3
191.05597	100.0
192.05975	2.5
200.04852	1.9
201.01897	0.4
201.11285	0.8
202.11636	0.5
203.03378	0.5
203.11986	0.7
205.08662	5.2
211.73839	0.4
214.99928	0.6
215.07103	9.0
219.02972	0.5
221.04567	1.2
231.02989	0.4
233.08171	16.7
234.08409	0.9
247.02486	2.1
259.06100	6.9
265.03452	0.6
277.07147	9.6
278.07593	0.7
307.17773	0.7
343.65906	0.3
359.00891	1.0
389.04886	0.9
390.41663	0.4
395.13559	2.4
397.16962	0.4
421.07843	1.0
422.07596	0.4
439.08148	1.1
439.13501	2.1
439.21887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08245	0.5
53.80350	0.5
59.01377	6.1
60.61006	0.6
61.98830	3.5
71.01381	2.2
73.02940	1.6
78.95897	0.8
79.95736	56.3
80.96539	0.9
85.02982	0.7
87.00896	1.0
89.02451	1.7
93.03439	3.6
95.95232	14.9
95.95806	1.0
96.96010	100.0
99.04536	0.6
101.02467	1.7
109.96790	0.8
110.97575	5.9
111.04528	2.2
113.02454	1.0
121.02990	0.7
137.02475	2.6
141.95836	0.7
149.99925	2.0
155.03513	2.4
160.05177	0.6
161.02469	1.4
161.04567	0.9
163.03925	0.7
173.04494	0.8
177.05635	0.8
178.06346	0.9
191.05711	0.9
192.58226	0.6
241.08635	0.8
249.05699	0.8
249.09932	0.8
259.02847	3.3
298.29257	0.7
301.03726	0.7
329.13837	1.5
335.14941	1.7
395.17047	1.2
424.08444	3.3
439.10663	99.5
440.10971	8.7
440.16455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
59.01382	11.9
61.98822	7.8
69.03442	1.2
69.22462	5.0
71.01378	11.4
73.02945	8.6
85.02943	10.5
87.00854	1.2
89.02454	3.9
92.54356	1.2
93.03458	12.7
95.01382	1.3
95.05051	1.4
97.02892	1.1
99.04494	1.2
101.02452	6.0
106.04250	4.5
113.02438	3.6
115.04001	1.5
119.03485	1.6
119.04994	5.5
121.02936	4.4
132.05817	12.4
139.03996	2.4
139.34969	1.3
145.02892	2.7
145.06563	2.5
147.04527	4.5
159.03065	1.3
159.04497	2.0
159.08139	5.4
160.05251	1.6
160.08904	1.8
161.04553	5.4
161.09714	100.0
162.10049	3.8
163.03995	3.6
171.08102	1.5
173.04582	1.8
174.03139	1.3
175.03931	2.1
177.01883	3.6
187.07581	2.9
189.01930	7.4
189.09201	18.0
191.05600	47.3
201.11276	2.0
205.08679	62.9
206.08971	3.0
215.07143	2.1
221.04480	3.0
227.07153	4.6
232.07448	1.4
233.08224	6.3
244.44162	1.1
247.02605	1.6
259.09695	5.6
265.03491	1.6
277.07166	4.7
324.13681	1.3
325.13989	1.6
367.13898	3.1
372.47977	1.4
395.13510	9.7
433.76862	1.3
439.12430	5.1
439.17694	2.1
462.49881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
61.36309	0.6
61.98813	1.5
69.34614	1.9
71.01379	1.7
73.02950	1.1
75.53667	0.4
88.98787	1.0
89.02470	0.5
93.03430	0.9
101.02428	1.1
106.25074	0.5
111.04484	1.0
113.02470	2.3
118.98125	0.6
119.05027	100.0
120.05351	3.6
123.08134	0.5
137.02428	1.0
139.04089	0.6
161.01196	0.5
161.02438	0.7
163.04008	81.9
164.04289	3.9
191.05569	0.9
205.30510	0.5
226.76540	0.5
239.00603	0.6
297.18124	0.5
325.09274	60.2
326.09686	4.6
367.38940	0.5
422.58649	0.5
440.15582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49537	0.4
54.75834	0.3
59.01373	0.4
69.03455	0.7
69.67161	1.1
71.01369	0.6
73.71743	0.4
81.79415	0.3
89.02446	0.5
91.06868	0.4
113.02451	1.6
119.05026	67.7
120.05387	1.8
163.04016	100.0
164.04326	3.0
173.30273	0.4
181.95644	0.3
288.10757	0.4
325.09311	6.9
326.09689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01377	3.6
61.98813	0.8
70.28132	0.4
70.79139	0.5
71.01384	4.1
71.14979	0.4
73.02950	1.0
83.01382	0.5
83.05014	1.0
85.02949	2.3
87.00858	1.1
89.02438	3.1
92.70908	0.4
93.02861	0.9
93.03455	17.4
95.01375	0.4
95.05022	3.5
96.95999	3.4
101.02431	3.4
113.02473	2.0
119.03504	1.1
119.05029	5.7
132.05789	0.4
133.06578	1.7
134.03741	0.4
139.04066	0.7
145.05199	0.5
145.06602	0.8
146.03697	0.7
147.03325	0.6
147.04517	11.6
147.08151	1.7
156.05792	0.6
159.08083	0.7
160.05289	1.5
161.04579	1.3
161.06073	3.6
161.09689	1.9
163.06142	1.2
165.66570	0.4
171.08195	1.6
172.05334	0.8
173.06126	0.8
174.06891	0.9
179.05571	2.8
186.06856	0.6
187.07628	8.8
188.08313	1.1
189.09204	100.0
190.09543	4.3
191.05598	1.4
233.08182	68.0
234.08492	3.7
277.07190	5.0
278.07489	0.6
325.11340	2.1
395.13474	23.0
396.13788	2.2
439.12399	11.8
439.32129	0.4
440.12640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01377	9.0
61.98827	6.7
67.01888	0.6
69.03450	1.1
69.57844	2.0
71.01378	5.1
71.05025	0.8
73.02933	1.7
75.00867	0.7
76.66515	0.6
83.01343	0.7
83.05019	3.2
85.02945	9.9
87.00861	2.5
89.02421	2.5
93.03452	35.6
94.03793	0.9
95.01377	0.7
96.96011	1.0
97.02930	0.8
98.22534	1.2
99.00862	1.3
99.04537	0.8
101.02435	2.5
107.04984	0.9
109.02918	0.9
111.04494	0.7
113.02431	4.1
117.03441	1.1
118.98100	1.0
119.03512	1.0
119.05016	9.3
121.02950	1.8
127.03996	2.4
132.05803	0.6
133.02940	0.8
134.03717	2.3
135.04538	4.3
137.02426	0.9
139.03995	2.6
145.06522	0.8
147.04521	11.8
154.21046	0.6
159.04460	1.4
159.08136	2.9
161.02411	1.7
161.04639	0.8
161.09778	3.3
163.03983	2.7
171.08116	1.3
173.04541	2.0
174.03212	2.5
175.03978	6.6
187.07602	3.0
188.08344	1.4
189.01971	3.5
189.09203	49.6
190.09576	2.4
191.05606	100.0
192.05948	2.8
200.04788	2.9
201.11305	1.9
202.11722	1.4
203.03409	1.4
205.08725	8.6
214.99876	1.0
215.07094	14.5
221.04605	1.4
233.08180	27.6
234.08397	1.2
247.02446	2.6
259.06104	13.0
265.03406	0.8
268.70767	0.6
277.07135	17.1
278.07480	0.7
325.13791	1.0
389.95178	0.7
395.13409	4.1
419.33121	0.7
439.12961	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	439.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03439	0.5
59.01378	7.3
61.98832	5.6
63.64536	0.4
67.46642	0.4
69.03461	0.9
69.48882	0.9
71.01382	7.7
73.02953	2.6
83.01381	0.6
85.02956	2.4
87.00861	0.9
89.02462	2.9
93.03458	10.8
93.04019	0.7
94.27785	0.4
95.04993	0.4
96.96015	0.5
97.02964	1.0
99.00877	1.1
101.02442	5.1
111.04538	0.5
112.20114	0.4
113.02457	4.7
113.06070	1.2
113.26377	0.4
115.03999	0.6
116.92870	1.4
119.05029	88.7
120.04654	0.4
120.05359	2.5
125.02486	0.8
131.03505	0.6
137.02449	8.3
137.06094	1.1
139.03967	0.8
143.51305	0.4
144.98715	0.5
145.02953	0.6
147.04610	0.7
147.06979	0.4
155.07115	0.4
161.02423	0.6
161.04578	2.5
161.09694	0.7
162.18336	0.4
163.04010	100.0
164.04369	3.3
173.04640	0.5
175.03973	0.4
181.05023	0.5
187.07684	0.5
189.09207	5.1
191.05634	1.2
205.05112	0.4
215.10675	0.5
231.04025	1.4
231.54163	0.5
233.08266	3.1
233.11845	1.4
299.02176	0.4
300.02899	0.6
301.09296	1.5
307.17670	2.5
325.09378	2.2
341.10913	0.4
370.56146	0.4
394.18729	0.8
395.13324	1.1
395.18478	0.8
403.15002	0.4
439.12314	1.4
439.21899	9.4
440.22247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.62181	4.7
63.00755	4.2
68.79092	4.5
70.89861	5.5
71.01377	23.9
73.02951	76.7
83.01385	10.8
89.02438	6.4
91.80899	4.9
101.02457	39.0
102.42914	4.0
112.15569	4.4
113.02440	11.0
119.03491	5.5
131.03488	5.6
145.06056	5.1
161.04504	8.1
183.63333	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	439.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.2
59.01379	52.0
61.98841	6.4
67.01881	2.8
71.01378	21.4
71.41788	2.6
73.02950	8.2
79.05954	2.7
83.01402	4.8
85.02962	15.8
87.00888	8.6
87.04510	4.7
89.02449	15.6
93.03424	13.4
95.25888	2.6
95.77118	2.6
96.95994	7.1
97.02955	4.2
101.02426	13.4
111.00896	2.9
113.02439	11.2
118.62247	3.0
119.03474	5.0
121.02937	5.3
122.03753	8.8
137.02374	3.1
137.06091	3.1
139.04051	3.0
142.24821	2.7
142.65297	2.4
143.03505	5.8
147.04477	3.7
149.02417	16.4
150.03215	53.1
161.02397	3.3
161.04524	4.8
161.09732	4.5
164.04765	3.5
165.01944	25.4
165.05568	51.9
175.03987	5.4
177.05507	5.6
180.04274	21.2
189.01949	11.4
189.09219	43.4
191.05618	48.2
195.06615	100.0
204.13904	3.0
205.08694	3.7
221.04509	4.5
233.08211	29.3
235.11858	7.2
239.12900	3.5
248.12932	7.2
277.07285	4.8
296.18634	3.7
301.07352	3.3
325.11285	3.2
325.14880	5.0
331.12021	7.6
336.18094	6.2
342.19153	5.1
375.69714	2.8
379.15845	6.1
385.18539	3.2
391.13745	14.7
395.13574	10.3
397.17191	11.5
439.12210	5.0
439.17386	47.4
440.17126	4.3
440.22849	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
59.01379	100.0
61.98826	7.2
67.01891	1.9
69.03439	3.1
69.74378	7.0
71.01379	53.2
73.02961	15.0
83.01383	5.7
85.02950	15.6
87.00886	3.4
89.02443	83.0
90.02803	2.4
91.64397	2.1
93.03455	13.6
95.01421	2.0
96.96008	14.5
97.02985	2.2
99.00883	13.4
100.93388	2.7
101.02446	37.1
108.97670	2.0
113.02446	17.6
115.92138	2.6
116.92851	4.4
119.03503	12.6
119.05001	4.9
125.02462	4.6
126.10749	2.0
131.03494	15.9
132.05791	5.5
143.03462	3.2
145.06580	8.2
147.04521	4.5
149.04555	41.4
159.04489	3.0
159.08188	3.0
160.05206	4.8
160.09041	3.5
161.02484	4.8
161.04559	5.3
161.05995	2.6
161.09720	34.6
163.03993	4.6
168.06728	1.9
173.06140	2.1
174.03230	2.6
175.03973	3.7
179.05623	7.0
187.07634	4.4
189.01956	12.7
189.09209	51.4
190.09552	2.3
191.05597	54.9
191.07327	3.1
221.04555	2.9
233.08173	39.5
234.08318	2.7
235.11797	2.5
240.10403	2.2
247.11798	2.9
251.07619	2.3
293.08969	2.6
317.70865	2.0
318.04123	2.4
348.29669	2.0
364.11407	2.0
379.16089	91.0
380.16409	5.6
395.13486	13.9
439.12564	2.8
439.21555	6.5
440.22806	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	439.1913
Annotation	Perrottetin E 11'-methyl ether
Peak:m/z	Relative Intensity
56.26932	0.7
58.89512	0.8
59.01363	1.0
63.05040	0.8
72.07284	1.0
91.05521	1.5
93.03445	3.7
96.96019	2.3
100.89167	0.7
107.05074	3.9
108.02174	2.4
122.03703	2.0
127.87052	0.8
129.86945	0.9
134.03806	1.2
135.04543	6.6
141.88576	1.0
161.02512	1.3
162.03224	2.0
167.08699	0.9
171.08202	1.6
173.06024	1.5
175.04066	1.4
176.04655	1.1
192.95833	2.0
199.07565	1.8
201.05522	0.9
204.68179	0.8
211.07610	6.8
212.08441	9.0
213.09171	8.4
215.07008	1.2
225.09225	9.3
226.06502	0.9
226.09966	6.4
227.10925	2.0
242.05844	4.8
243.06549	3.2
253.08728	4.2
267.10229	6.1
289.12473	0.8
291.10339	1.1
292.11008	1.0
293.12396	0.8
303.13913	2.5
324.44586	0.8
333.11255	2.7
339.17911	1.0
365.14429	0.8
383.16577	1.1
395.20151	3.5
395.25186	0.8
397.18115	2.9
401.11957	1.1
421.18246	1.4
439.19147	100.0
440.19547	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	439.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98803	1.1
78.14993	1.0
84.27563	1.1
90.93895	1.0
96.96001	1.9
130.06631	1.1
135.04509	1.8
160.95634	1.0
161.02438	2.1
162.03256	1.1
175.04025	5.1
176.04759	9.0
185.26300	1.1
189.01874	6.7
190.02716	4.8
191.03539	1.2
211.07632	5.0
212.08401	2.7
226.09943	1.3
227.10774	6.9
242.22054	1.2
252.07986	1.7
267.10242	100.0
268.10526	5.8
421.73215	1.3
439.19208	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03446	1.1
59.01380	100.0
60.01730	1.3
61.98832	0.5
69.52586	0.9
69.52967	1.4
70.10055	0.4
71.01382	12.8
73.02945	4.0
75.00905	0.4
79.81530	0.5
83.01391	1.8
85.02950	5.2
87.00872	0.7
89.02444	4.3
95.01390	1.1
99.00880	1.5
101.02441	8.9
101.06126	0.8
113.02447	5.0
119.03525	1.8
143.03503	0.8
159.03065	1.0
161.04556	5.7
179.05673	0.6
191.05646	1.0
234.47665	0.4
235.17027	0.7
317.19818	0.6
358.07104	0.4
379.21387	1.9
397.22324	11.6
398.22665	0.7
415.57306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54409	0.4
53.44703	0.4
55.01868	1.0
57.03446	1.1
59.01379	100.0
60.01730	1.0
61.98840	1.0
67.35942	0.4
69.75695	1.1
71.01382	16.1
72.21082	0.4
72.99316	0.7
73.02943	5.7
83.01411	2.3
85.02946	7.5
87.00867	0.7
89.02442	4.2
90.53579	0.4
93.03475	1.7
95.01396	1.6
97.02930	0.5
99.00896	1.3
101.02441	11.6
113.02448	6.6
119.03544	2.0
121.21689	0.5
123.11461	0.5
125.02411	0.7
137.02504	0.7
143.03523	0.9
159.03036	0.8
161.04553	7.2
167.63411	0.5
173.04599	1.4
179.05711	0.6
191.05652	1.5
209.11920	2.1
219.13997	0.7
266.04132	0.5
272.09723	0.5
277.18246	0.7
281.10510	0.7
283.13409	1.3
318.12207	1.5
327.16074	0.5
351.36209	0.5
379.21106	2.1
397.22229	10.2
397.26971	0.6
398.22635	1.2
423.18707	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	0.8
61.98822	1.4
69.02380	0.3
69.24609	1.4
71.01381	1.4
73.02950	0.8
77.41249	0.2
77.80074	0.2
82.95419	0.4
83.01379	0.6
84.95107	1.8
85.02964	0.6
89.02454	0.4
93.03486	0.5
96.95973	0.2
97.05402	0.2
98.22630	0.4
101.02451	1.1
113.02461	0.9
116.92874	0.3
133.02957	0.3
137.02466	0.9
161.04572	0.7
163.04063	0.3
167.83383	0.3
177.02069	0.3
191.05692	0.4
278.13803	0.3
301.00897	0.3
306.07513	0.8
341.39267	0.2
379.21344	1.0
397.22406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77029	18.0
59.01369	20.5
61.98826	75.7
62.71565	17.3
63.26785	16.4
69.22144	100.0
90.14021	18.0
241.12421	43.3
324.90079	18.3
379.15430	26.7
409.13055	22.2
439.17337	69.4
439.24164	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01379	1.9
61.98829	100.0
69.03455	0.4
69.28088	1.3
69.28447	0.6
71.01383	1.0
73.02942	0.5
85.02960	0.8
89.02451	0.8
96.96047	0.3
100.93365	0.5
101.02442	0.9
101.03883	0.3
104.74901	0.3
107.05069	0.3
113.02451	3.1
115.92122	0.4
116.92854	0.6
135.89117	0.3
137.06076	0.6
139.04047	0.5
146.02492	0.8
161.04591	0.8
161.09761	0.4
162.02855	0.3
162.10065	0.4
163.04092	0.5
164.04343	0.3
173.04550	0.3
182.08157	0.3
189.01984	1.1
190.02330	1.3
191.05635	1.3
192.05972	0.9
248.02873	0.4
263.11221	1.4
266.03888	0.4
272.69992	0.3
276.85397	0.3
377.14548	0.4
380.67792	0.3
402.15167	0.4
440.22989	0.9
441.19196	0.5
458.56262	0.3
464.84750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24583	1.3
59.01380	12.7
61.98826	2.3
65.47772	1.4
69.03456	53.1
69.66581	5.0
69.66922	1.5
70.03781	2.1
71.01367	5.6
73.02939	3.4
80.17100	1.4
85.02921	2.5
87.00870	4.9
89.02445	9.2
93.03449	6.5
97.02939	6.9
101.02442	3.9
103.25718	1.4
111.04511	2.0
113.02450	47.3
119.03492	4.8
129.05576	73.9
131.03516	1.6
137.02460	2.8
143.03448	2.4
145.05075	19.1
147.81355	1.5
173.04539	100.0
174.04858	4.4
177.00247	1.6
177.01869	2.3
179.05618	4.7
186.72957	1.6
190.09566	3.6
192.04239	2.0
211.63260	1.6
217.00301	3.2
325.11267	1.6
327.09204	5.9
327.12741	2.9
380.99521	1.8
381.06570	2.0
387.13000	2.9
389.86349	1.6
440.12808	1.8
441.12045	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	440.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	65.8
61.98827	10.5
71.01381	19.3
71.46773	5.7
72.99314	13.3
73.02988	6.5
79.58947	7.3
84.05286	5.6
85.02913	8.7
87.00865	6.4
89.02428	15.4
92.05052	10.1
97.06555	10.6
101.02457	10.0
102.02824	6.4
106.04227	5.9
109.06583	12.3
113.02438	12.7
127.68641	6.1
136.04099	8.1
137.06065	57.6
153.05556	10.0
154.06013	7.3
173.04550	27.5
191.05672	6.8
208.23178	5.7
216.11133	6.9
243.10254	100.0
259.09631	9.0
260.09912	11.8
278.10172	10.2
396.17297	28.8
397.29312	6.8
405.15503	27.4
440.16376	33.9
440.21796	8.2
441.17441	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	440.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	65.8
61.98827	10.5
71.01381	19.3
71.46773	5.7
72.99314	13.3
73.02988	6.5
79.58947	7.3
84.05286	5.6
85.02913	8.7
87.00865	6.4
89.02428	15.4
92.05052	10.1
97.06555	10.6
101.02457	10.0
102.02824	6.4
106.04227	5.9
109.06583	12.3
113.02438	12.7
127.68641	6.1
136.04099	8.1
137.06065	57.6
153.05556	10.0
154.06013	7.3
173.04550	27.5
191.05672	6.8
208.23178	5.7
216.11133	6.9
243.10254	100.0
259.09631	9.0
260.09912	11.8
278.10172	10.2
396.17297	28.8
397.29312	6.8
405.15503	27.4
440.16376	33.9
440.21796	8.2
441.17441	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	440.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
59.01377	2.2
59.90924	1.1
61.98836	2.7
65.56319	1.0
70.10866	2.7
71.00988	0.8
71.01375	24.8
72.00904	1.2
73.02944	54.9
78.95901	6.9
84.95105	1.1
87.00884	8.5
89.02444	60.8
93.03398	1.3
96.96006	38.2
96.96935	10.3
97.38534	1.0
98.95571	4.5
99.00893	1.0
101.02417	1.5
113.02503	1.6
115.03989	1.0
115.92059	2.1
119.13364	1.3
138.95102	1.1
152.01505	1.1
165.06721	1.2
213.89223	1.1
229.96820	1.1
318.17056	2.6
320.18613	6.7
323.62720	1.0
338.19803	2.4
360.21814	2.0
403.87744	1.2
422.21912	7.8
430.86063	1.1
440.22864	100.0
441.17093	1.6
441.23032	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	440.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31948	11.9
59.01374	100.0
61.98827	40.8
64.81454	13.1
69.31989	54.0
73.76057	11.9
77.32521	12.7
101.27816	12.0
131.52550	13.5
186.96883	13.2
230.16699	13.8
263.23157	15.1
442.23343	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	440.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95533	0.5
57.03449	31.3
59.01371	2.8
61.98841	3.2
69.03455	1.3
69.55002	2.1
70.02958	1.9
71.01386	3.5
73.02943	2.4
83.05034	0.7
84.04588	0.6
85.02943	7.3
86.02464	2.3
87.00865	3.4
87.04516	7.1
88.98811	1.7
89.02454	1.4
96.04549	2.7
97.02951	5.8
99.04526	1.7
101.02431	2.6
101.06124	0.6
102.02779	0.8
107.08692	1.5
108.69237	0.6
111.04480	1.4
113.02451	1.8
128.57007	0.6
129.05600	0.6
131.03506	0.8
137.06021	0.9
147.11815	1.3
150.03165	0.9
150.09210	1.4
161.04593	1.2
165.09219	1.0
177.09149	1.5
186.12859	0.9
191.05612	1.2
195.06702	0.8
195.13905	1.2
196.07098	1.1
200.09244	1.0
204.13997	3.2
206.65927	0.6
221.11929	0.6
223.18370	0.7
234.08569	0.9
238.14468	2.3
239.12852	7.0
248.12903	14.5
249.13431	0.9
265.14264	0.8
288.16019	1.2
334.16684	4.2
336.18179	8.0
342.19220	5.3
366.41830	0.6
379.16025	1.1
380.16489	9.1
381.16409	0.7
422.21631	4.1
440.22876	100.0
441.23474	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	440.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	27.5
58.57085	2.0
59.01360	3.5
61.98833	3.0
69.03438	2.4
73.02928	5.0
79.44122	1.9
83.05027	6.1
85.02953	5.0
85.06596	4.8
86.22959	1.9
87.00861	8.4
88.24144	2.1
96.96032	3.2
111.04500	9.0
113.02442	3.3
115.04053	3.6
119.73399	2.0
129.05569	39.0
133.02972	7.0
136.99921	2.3
145.05098	16.1
164.01740	3.1
174.00221	7.6
176.01721	13.7
177.01930	5.4
191.05579	9.8
205.05255	2.5
206.11772	6.8
206.50961	2.3
220.00760	10.7
238.40916	2.1
248.00267	6.4
266.01248	4.1
279.06622	3.3
292.15536	4.0
310.16611	27.2
336.18106	29.1
337.18829	2.5
396.20230	10.0
404.20663	3.5
422.21802	14.1
440.22833	100.0
441.23331	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	440.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08965	0.4
57.03438	1.3
59.01358	0.7
59.09098	0.5
60.53842	0.4
61.98826	2.8
64.14427	0.4
67.05513	0.4
69.03434	0.6
69.36612	1.7
69.58616	0.4
70.38907	0.4
71.05013	3.0
73.02946	4.4
80.02677	0.4
83.05009	0.5
84.04533	1.8
84.38575	0.4
85.02952	1.6
85.06590	0.4
86.06116	1.2
87.04499	2.0
93.03426	0.4
95.05028	3.9
96.04535	0.6
97.02936	1.0
98.03732	12.4
101.06065	0.9
111.04501	0.5
112.04050	3.2
114.05572	0.8
115.04000	1.7
121.06591	0.8
125.02439	2.6
127.04000	1.2
135.08141	0.8
137.02411	0.4
138.06894	0.5
143.04614	0.4
149.13290	0.7
151.03934	0.9
161.13293	0.5
175.03938	0.6
175.11235	0.8
187.11322	0.5
191.05589	1.6
192.05931	0.6
198.11372	1.6
206.15436	0.5
229.99052	0.5
232.13533	0.6
241.15926	0.7
250.14525	2.2
276.16321	0.5
276.19397	0.4
320.18652	0.9
328.22818	0.7
346.23688	2.3
362.23471	0.8
364.24780	2.6
372.21829	1.8
388.21426	0.7
390.17746	0.6
390.22836	13.4
391.23218	1.1
408.23883	4.7
422.25565	2.8
440.26520	100.0
441.26950	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	440.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
57.03435	3.3
59.01376	2.1
61.98822	7.1
69.03455	1.4
71.01387	1.2
73.02939	13.0
85.02931	2.6
85.06572	1.6
87.04504	2.4
95.05033	2.2
95.62696	0.8
96.04591	1.5
97.02935	2.1
98.03744	5.5
99.04567	1.2
111.04498	1.2
112.04051	2.1
113.02485	0.9
113.06139	1.0
114.05614	2.8
115.04005	3.0
121.06614	1.6
122.09788	2.1
123.04501	2.1
125.02447	11.0
126.02731	1.1
126.05647	1.2
128.03560	1.0
135.84399	0.9
137.02448	1.7
137.09688	1.2
139.07739	1.0
148.07680	1.1
151.04097	3.8
161.02481	1.0
163.04150	1.0
166.08725	2.6
168.10339	1.7
172.93536	0.8
177.01836	1.1
187.03979	1.0
191.05673	3.8
192.05945	1.1
195.13860	1.4
227.13995	1.5
260.20245	1.3
278.21356	2.6
282.22107	1.2
284.23782	2.3
304.19180	1.0
310.21704	0.9
322.20264	1.1
328.22775	5.4
346.23880	2.3
364.24637	3.8
372.21667	5.0
390.22876	9.2
391.23145	1.0
397.24490	0.9
408.23898	46.0
409.24353	3.0
422.25467	1.4
440.26535	100.0
441.26996	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	440.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
57.03435	3.3
59.01376	2.1
61.98822	7.1
69.03455	1.4
71.01387	1.2
73.02939	13.0
85.02931	2.6
85.06572	1.6
87.04504	2.4
95.05033	2.2
95.62696	0.8
96.04591	1.5
97.02935	2.1
98.03744	5.5
99.04567	1.2
111.04498	1.2
112.04051	2.1
113.02485	0.9
113.06139	1.0
114.05614	2.8
115.04005	3.0
121.06614	1.6
122.09788	2.1
123.04501	2.1
125.02447	11.0
126.02731	1.1
126.05647	1.2
128.03560	1.0
135.84399	0.9
137.02448	1.7
137.09688	1.2
139.07739	1.0
148.07680	1.1
151.04097	3.8
161.02481	1.0
163.04150	1.0
166.08725	2.6
168.10339	1.7
172.93536	0.8
177.01836	1.1
187.03979	1.0
191.05673	3.8
192.05945	1.1
195.13860	1.4
227.13995	1.5
260.20245	1.3
278.21356	2.6
282.22107	1.2
284.23782	2.3
304.19180	1.0
310.21704	0.9
322.20264	1.1
328.22775	5.4
346.23880	2.3
364.24637	3.8
372.21667	5.0
390.22876	9.2
391.23145	1.0
397.24490	0.9
408.23898	46.0
409.24353	3.0
422.25467	1.4
440.26535	100.0
441.26996	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	440.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03441	1.4
59.01369	1.0
61.98820	1.1
62.32830	0.3
62.39736	0.3
63.52108	0.3
64.58120	0.3
69.03451	0.9
70.65024	0.6
71.01383	1.0
71.05014	4.0
73.02940	4.1
81.03432	0.5
83.05021	1.2
84.04545	2.0
85.02950	0.9
85.06554	0.4
86.06110	1.2
87.00842	0.4
87.04510	2.1
88.98794	0.6
93.03464	1.3
95.05025	3.9
96.04524	0.4
96.73288	0.3
97.02955	0.9
98.03734	12.2
99.04555	0.5
101.06083	1.2
108.02250	0.3
111.04527	0.9
112.04041	3.3
114.05593	0.5
115.04002	2.2
118.29903	0.4
118.91821	0.3
121.06609	0.9
122.06082	0.3
122.09783	0.5
124.07663	0.4
124.48764	0.3
125.04842	0.4
126.05631	0.4
127.04025	1.6
128.03532	0.3
135.08176	0.8
135.90268	0.3
137.07166	0.6
139.07610	0.8
143.04674	0.4
144.61331	0.3
149.09770	0.4
149.13321	0.5
161.02409	0.5
161.09679	0.6
161.13332	0.6
173.04532	1.0
174.00203	1.3
175.11253	1.2
176.01723	0.6
176.03957	0.4
179.03467	0.6
187.11282	0.4
191.05605	5.0
191.11876	2.2
192.05850	0.4
198.11305	1.9
201.99718	0.7
207.11354	2.3
212.12955	0.4
218.19139	0.4
220.00671	0.3
229.99129	4.1
230.84576	0.4
232.13428	0.6
235.10869	0.5
241.15866	0.8
244.17035	0.3
248.00209	0.4
250.14439	2.1
276.19928	0.5
279.06998	0.6
279.09793	3.1
304.18896	0.5
307.68280	0.4
318.17123	0.6
320.18579	0.7
328.22736	0.5
336.18216	0.4
346.23898	2.5
362.23358	1.0
364.24860	3.1
372.21768	2.9
388.21393	0.9
390.22852	14.0
391.23169	1.0
396.20428	0.4
406.22443	0.4
408.23944	4.1
409.24316	0.5
415.05203	0.6
422.05756	0.5
422.25610	2.6
431.92188	0.3
440.26538	100.0
441.26843	8.3
441.32440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98826	11.9
69.03436	20.5
71.01377	47.5
73.02944	8.5
74.88475	5.2
75.00868	9.2
83.00753	4.6
85.02966	9.2
87.00887	22.5
89.02448	66.1
89.58558	5.9
93.03463	23.2
96.95990	6.6
99.50689	5.4
101.02452	28.2
113.02458	34.1
114.02769	6.9
119.03509	31.2
129.05624	13.3
131.03482	13.8
131.05748	5.4
135.04544	10.4
137.02431	18.6
143.03459	12.6
150.10402	5.9
161.04558	14.7
165.07770	7.3
173.04536	20.1
174.04887	13.1
177.01868	37.3
179.05569	29.5
192.04251	12.8
207.06621	11.4
217.00270	24.3
217.03688	7.7
243.03590	6.9
326.97125	11.2
327.09232	36.6
327.12885	26.9
345.79407	5.6
359.01413	10.3
380.99478	11.7
381.06863	11.8
387.13000	34.5
441.12177	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.0
61.98816	4.2
67.35243	1.1
69.21351	5.0
69.21751	2.7
71.01372	2.4
73.89542	1.1
83.29078	1.3
98.68607	1.4
106.04204	2.1
110.22902	1.3
122.03737	5.3
127.04009	2.4
131.04649	1.6
137.06070	16.1
161.09680	5.1
179.17238	1.3
186.58032	1.3
194.29274	1.3
205.08641	11.8
235.53404	1.2
237.00633	1.5
243.10240	100.0
244.10553	4.5
254.32826	1.2
405.15561	14.3
441.12775	4.5
441.18137	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	441.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
68.99812	0.8
71.07307	0.5
93.03467	0.4
103.05505	0.6
109.02941	2.6
113.02418	0.4
119.05008	6.0
121.02933	2.3
123.04534	0.4
129.03468	2.2
130.08739	0.5
131.03520	0.4
135.04553	0.8
138.49397	0.4
146.03671	0.6
147.03333	0.5
147.04526	12.9
165.05566	100.0
166.05925	3.1
170.20769	0.3
191.05615	0.8
228.48213	0.4
241.22774	0.4
242.68639	0.4
327.10846	12.1
328.11121	0.4
397.21317	0.6
441.23938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39095	0.2
59.01377	12.6
61.98832	1.4
65.89945	0.2
69.03442	0.7
71.01378	1.7
71.43014	0.3
73.02941	0.5
85.02949	0.9
89.02447	0.7
93.03452	4.9
96.96038	0.2
99.00884	0.3
101.02444	1.0
107.05069	0.3
113.02446	4.5
116.92844	0.5
119.05042	0.6
121.06598	5.1
130.18071	0.2
135.04507	0.7
137.02499	0.3
139.03972	0.3
161.04543	0.6
162.41672	0.2
165.05563	100.0
166.05891	3.8
173.04486	0.3
191.05507	0.6
327.10834	18.6
328.11115	1.4
441.13489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	63.8
61.52458	29.7
61.98833	77.6
62.11561	29.0
84.80702	31.2
85.54492	29.7
96.27856	38.9
98.21868	75.5
104.37660	36.4
113.11150	30.4
123.60748	36.6
126.88134	82.1
151.76050	46.9
168.45439	31.2
217.00316	81.6
226.10019	43.3
243.51236	33.3
351.21518	70.0
405.17020	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	441.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.3
59.94623	0.8
61.98828	20.3
69.33942	3.4
71.01385	4.9
73.02957	1.4
73.21178	0.7
76.86851	0.8
83.01382	1.1
85.02953	1.9
87.72152	0.8
89.02435	2.0
101.02441	4.3
106.04228	1.3
109.71060	0.9
112.01763	0.8
113.02467	1.9
119.03457	1.1
127.03967	0.9
146.06129	1.5
161.04535	0.8
161.09715	44.3
162.10066	1.6
191.05589	0.9
205.08684	100.0
206.08989	4.9
217.00250	1.1
243.10155	1.1
353.32629	1.1
441.17639	59.3
442.18188	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	441.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03439	1.3
59.01380	82.4
61.98835	6.3
63.50366	0.8
67.01886	0.7
69.39117	3.3
71.01381	38.7
72.99315	1.9
73.02946	3.0
79.97084	0.7
83.01382	3.8
83.05011	1.2
85.02958	8.0
87.00887	2.0
89.02447	38.0
90.32643	0.8
93.03471	2.1
95.01373	3.8
96.33118	0.7
97.02950	1.3
101.02444	21.7
108.02216	1.0
109.02967	3.6
109.06593	0.9
111.04536	1.0
113.02455	16.1
119.03545	14.5
119.05022	42.9
120.05376	0.7
121.02962	1.3
121.06577	1.0
122.03752	2.0
123.04541	2.1
123.76740	0.8
125.02424	0.8
127.03933	0.9
131.03543	1.0
133.05032	3.8
135.04521	2.2
136.05255	1.5
137.06073	3.5
139.04024	10.4
139.07652	6.5
143.03534	1.9
145.05022	1.1
147.04520	3.6
152.01151	1.1
161.04570	4.9
163.04022	37.9
164.04318	1.4
165.05565	13.5
165.36024	0.8
167.03424	1.2
173.04581	0.7
179.03477	1.0
179.05612	2.2
179.10645	0.7
187.11205	0.8
189.27379	0.7
205.12352	7.2
217.12347	2.1
223.07683	0.7
235.13452	3.0
291.10706	1.3
307.08084	1.7
325.09338	3.5
327.10999	1.4
330.13202	13.5
331.13870	4.8
371.74872	0.8
397.11151	1.1
397.18646	7.8
441.17703	100.0
442.17990	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	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77358	4.4
70.05574	11.4
77.21500	5.0
123.01637	5.2
151.53984	4.6
274.12708	5.5
326.41187	5.5
441.18954	100.0
442.19147	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	75.6
61.98829	24.9
62.23167	5.5
69.53658	4.6
70.50441	11.3
71.01366	40.2
72.73871	4.6
73.02952	10.7
80.11717	4.7
85.02970	12.8
87.00867	5.3
89.02441	40.0
90.03262	6.4
91.39375	4.4
93.03459	14.1
96.76175	4.6
96.96003	15.4
98.61221	4.5
98.95605	7.1
101.02419	25.3
107.05057	9.1
113.02444	18.8
119.03491	17.5
121.02917	8.5
122.56553	5.3
143.03418	8.0
148.38284	4.9
161.04468	11.5
165.07677	9.9
178.83798	5.3
179.05634	17.4
197.04483	7.7
200.93886	5.2
208.62170	5.3
265.08304	5.5
295.02567	6.3
327.12930	56.3
330.34253	5.1
398.07584	10.4
441.13657	8.5
441.19064	100.0
442.19254	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1894
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
57.77358	4.4
70.05574	11.4
77.21500	5.0
123.01637	5.2
151.53984	4.6
274.12708	5.5
326.41187	5.5
441.18954	100.0
442.19147	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2029
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
65.99838	4.4
69.77129	6.8
77.09033	1.8
78.59944	2.0
78.61990	1.7
93.72147	1.7
98.22643	2.1
223.16606	1.7
235.10997	1.7
238.12273	2.3
254.15594	21.4
278.11877	5.0
282.32782	2.1
294.14935	6.7
306.14981	1.9
333.17197	5.7
336.44434	1.9
348.30844	1.9
350.17572	2.1
384.13190	2.8
441.20255	100.0
442.20615	7.7
455.93649	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.68277	0.2
55.87282	0.2
57.03434	0.3
59.01377	100.0
60.01714	0.9
62.03677	0.2
68.42178	0.2
71.01371	4.7
73.02948	1.5
83.01405	0.6
84.39014	0.2
85.02941	1.7
89.02444	1.8
95.01355	0.4
98.22665	0.6
99.00951	0.3
101.01777	0.3
101.02440	2.3
105.74295	0.2
113.02460	1.8
119.03507	0.5
161.04590	1.0
167.43726	0.2
184.63625	0.2
199.12019	0.2
243.45093	0.3
386.30881	0.2
399.23953	0.5
442.70407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.8
61.98844	1.1
64.34406	0.9
66.10881	0.8
66.59020	1.0
66.63115	0.8
69.24966	2.0
69.25368	4.0
71.01372	3.4
73.02966	1.1
84.09216	0.9
85.02953	1.2
89.02438	2.0
101.02437	3.0
102.40837	1.0
113.02442	1.3
161.04546	1.1
217.00244	1.7
292.06241	1.3
399.23730	1.2
442.09396	1.2
457.43665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43104	0.3
57.12449	0.4
59.01377	100.0
60.01712	0.9
61.98834	5.8
71.01381	2.2
73.02946	0.6
85.02967	1.0
87.00927	0.3
89.02449	0.9
93.03463	0.9
96.95982	0.4
101.02451	1.6
106.47485	0.4
113.02485	1.3
113.26119	0.3
116.76854	0.4
119.05064	0.5
125.02416	0.4
134.03848	0.4
135.04564	0.5
145.75427	0.4
161.04593	0.6
173.04601	0.8
191.05582	2.2
215.07137	0.4
279.12372	0.6
307.83923	0.4
323.87469	0.4
399.24164	0.8
413.92505	0.4
441.20880	0.5
441.95490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06192	0.5
58.59324	0.5
60.99303	13.0
65.74485	0.5
69.79552	0.5
70.14286	1.3
84.04536	0.6
86.06129	0.5
88.04040	0.6
88.98804	100.0
89.99135	1.0
97.02934	1.4
108.02172	2.1
115.03999	0.6
116.92883	0.8
123.04514	1.1
125.61346	0.5
127.71293	0.6
146.06139	2.1
147.11769	1.0
152.01147	3.4
167.03476	10.3
329.08698	1.0
344.22360	1.5
382.90570	0.5
388.21255	1.4
406.22333	23.2
407.22742	1.5
442.25888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06192	0.5
58.59324	0.5
60.99303	13.0
65.74485	0.5
69.79552	0.5
70.14286	1.3
84.04536	0.6
86.06129	0.5
88.04040	0.6
88.98804	100.0
89.99135	1.0
97.02934	1.4
108.02172	2.1
115.03999	0.6
116.92883	0.8
123.04514	1.1
125.61346	0.5
127.71293	0.6
146.06139	2.1
147.11769	1.0
152.01147	3.4
167.03476	10.3
329.08698	1.0
344.22360	1.5
382.90570	0.5
388.21255	1.4
406.22333	23.2
407.22742	1.5
442.25888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49804	1.4
53.32351	1.4
59.01364	1.7
61.46982	1.5
69.03451	3.0
70.61253	3.7
71.01376	2.9
71.05005	4.7
87.00863	2.8
87.04512	3.1
98.22499	1.6
115.04008	65.8
127.06800	1.8
130.08731	11.1
136.19946	1.7
145.03548	2.7
146.75920	1.6
159.02986	100.0
160.03302	1.7
177.12215	1.6
185.81313	1.7
191.05605	3.1
199.00948	16.4
218.04247	1.8
257.82144	1.8
295.03021	7.4
344.17432	2.9
419.80667	2.1
424.23245	2.3
442.24432	5.6
443.35660	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	442.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01382	4.7
61.98828	100.0
62.88240	0.5
66.26870	0.4
69.03454	0.7
69.23161	2.2
71.01381	2.6
73.02565	0.4
73.02966	1.2
75.76234	0.5
82.95412	1.2
83.01368	0.7
84.95107	0.9
85.02965	1.9
87.00890	1.1
89.02453	1.6
93.03470	1.2
95.01410	0.8
97.02988	0.7
101.02441	2.3
108.02155	2.5
109.02963	0.9
111.00903	0.6
113.02455	4.8
115.03995	0.9
116.92915	0.8
117.92893	0.5
119.03504	0.7
119.05025	0.8
121.02989	1.2
123.00842	0.8
123.04517	3.9
127.04029	0.7
129.05623	0.5
130.42819	0.5
135.04465	0.6
137.02434	1.2
137.06099	0.7
139.04042	1.7
149.02469	0.5
149.06122	0.7
152.01131	5.0
152.61115	0.5
153.95509	0.5
161.04628	0.9
165.05598	0.7
166.99890	0.5
167.03484	15.0
191.05653	1.9
265.12900	2.6
291.11127	0.5
320.18884	0.5
329.08847	1.9
338.19711	0.7
382.18030	0.6
442.13824	0.5
442.24631	3.6
443.19370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.187
Annotation	CHEBI:68255
Peak:m/z	Relative Intensity
55.01877	10.5
58.98539	0.7
59.01380	7.3
61.98841	3.9
69.36127	2.6
84.02167	1.6
87.00838	0.9
87.32102	0.8
88.64567	1.0
97.02946	1.1
102.38423	0.9
112.01671	29.4
116.92875	1.3
127.04019	39.1
128.04329	1.2
139.00377	0.9
140.01151	8.7
144.00644	11.0
150.93883	0.8
155.03491	13.3
241.26125	1.1
254.11972	0.9
351.37512	1.0
366.17294	1.2
442.18692	100.0
443.19028	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	442.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.4
58.41646	1.1
61.98825	9.1
69.08211	6.2
71.05020	1.1
73.02952	1.4
84.04530	1.4
85.06593	2.3
86.06105	2.5
87.98576	1.0
97.02944	3.8
98.03754	2.1
98.22615	2.2
105.40234	1.0
111.04507	5.0
115.03998	2.2
117.07657	1.0
129.05589	13.9
147.11790	4.2
208.13400	1.3
221.08122	2.2
269.32324	1.0
312.18137	12.1
313.18588	1.1
326.20932	2.0
344.22128	5.9
388.21439	7.5
406.22339	100.0
407.22537	8.8
424.23239	1.5
442.24332	12.1
443.24283	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	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	34.2
59.01374	5.7
59.90839	0.6
61.98827	3.6
69.03458	1.3
69.49847	2.0
71.01385	4.4
71.05021	1.6
73.02946	2.8
74.10359	0.9
75.00892	0.8
77.10104	0.7
82.50930	0.6
83.05039	1.2
85.02953	9.4
87.00881	8.0
87.04498	1.6
89.02415	1.4
93.03459	1.8
96.00922	0.7
96.04535	0.9
97.02970	4.1
98.00699	0.7
98.02480	0.8
98.22616	1.4
99.04514	2.3
101.02456	2.2
107.05017	6.3
108.02184	1.0
108.05365	1.1
109.02951	1.1
112.39878	0.6
113.02450	4.6
114.05620	1.4
115.04041	1.5
116.07177	1.6
119.05013	0.7
121.02902	0.8
122.03740	13.5
122.06092	0.7
123.04529	5.4
125.02429	0.7
127.04021	11.3
128.03496	0.8
137.02443	2.6
140.03445	0.7
143.03477	1.3
143.05086	0.8
145.05003	0.8
147.08134	3.4
151.03993	1.2
152.01149	1.4
159.08157	7.1
161.04593	2.6
162.12895	2.2
167.03474	5.9
173.04546	1.3
174.12891	1.1
177.09209	1.0
180.13951	2.0
185.33844	0.6
191.05635	4.4
191.07152	1.3
192.13922	16.9
193.14366	0.8
201.11299	0.9
203.07095	2.3
213.07092	0.8
221.08174	25.5
228.17581	2.1
258.18665	1.0
281.06750	0.8
285.09631	0.8
290.17603	1.8
302.17645	1.2
308.18549	1.3
320.18710	5.6
321.19116	0.7
329.08682	6.2
338.19739	15.7
339.20230	1.1
370.14722	0.9
378.22632	0.9
388.21222	1.1
398.14694	1.2
424.23294	4.8
442.13641	2.3
442.24448	100.0
443.11865	1.4
443.24802	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	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	34.2
59.01374	5.7
59.90839	0.6
61.98827	3.6
69.03458	1.3
69.49847	2.0
71.01385	4.4
71.05021	1.6
73.02946	2.8
74.10359	0.9
75.00892	0.8
77.10104	0.7
82.50930	0.6
83.05039	1.2
85.02953	9.4
87.00881	8.0
87.04498	1.6
89.02415	1.4
93.03459	1.8
96.00922	0.7
96.04535	0.9
97.02970	4.1
98.00699	0.7
98.02480	0.8
98.22616	1.4
99.04514	2.3
101.02456	2.2
107.05017	6.3
108.02184	1.0
108.05365	1.1
109.02951	1.1
112.39878	0.6
113.02450	4.6
114.05620	1.4
115.04041	1.5
116.07177	1.6
119.05013	0.7
121.02902	0.8
122.03740	13.5
122.06092	0.7
123.04529	5.4
125.02429	0.7
127.04021	11.3
128.03496	0.8
137.02443	2.6
140.03445	0.7
143.03477	1.3
143.05086	0.8
145.05003	0.8
147.08134	3.4
151.03993	1.2
152.01149	1.4
159.08157	7.1
161.04593	2.6
162.12895	2.2
167.03474	5.9
173.04546	1.3
174.12891	1.1
177.09209	1.0
180.13951	2.0
185.33844	0.6
191.05635	4.4
191.07152	1.3
192.13922	16.9
193.14366	0.8
201.11299	0.9
203.07095	2.3
213.07092	0.8
221.08174	25.5
228.17581	2.1
258.18665	1.0
281.06750	0.8
285.09631	0.8
290.17603	1.8
302.17645	1.2
308.18549	1.3
320.18710	5.6
321.19116	0.7
329.08682	6.2
338.19739	15.7
339.20230	1.1
370.14722	0.9
378.22632	0.9
388.21222	1.1
398.14694	1.2
424.23294	4.8
442.13641	2.3
442.24448	100.0
443.11865	1.4
443.24802	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	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01708	4.9
61.98818	9.4
71.01384	16.5
73.02949	13.3
77.98128	3.5
82.88155	3.1
82.88770	3.8
85.02936	6.2
86.56523	3.7
89.02437	6.2
93.03466	6.5
101.02438	12.8
113.02451	13.3
119.03519	4.4
119.05037	3.9
132.45003	4.1
145.04677	4.1
173.04550	5.3
191.05534	18.6
277.91470	4.0
349.10776	6.8
361.16229	4.1
385.10355	5.5
401.21988	4.3
442.21890	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	443.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.9
60.99305	17.0
69.52616	3.1
71.01389	2.4
72.33916	0.7
73.02947	0.9
85.02940	3.1
88.98806	100.0
89.02486	0.8
93.03448	1.0
98.22562	1.2
101.02426	1.7
113.02480	1.2
115.04017	0.9
152.01152	0.9
161.02504	0.8
167.03510	1.8
173.04514	1.2
191.05609	62.9
192.05992	1.5
333.97574	0.9
353.08649	8.5
396.93301	0.9
442.24408	2.6
443.19388	5.5
443.24661	1.6
457.37564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28764	0.8
55.01863	1.3
57.03426	1.1
59.01379	16.7
60.99306	13.4
71.01382	10.4
73.02937	1.6
78.95904	13.1
83.01410	1.1
85.02946	6.5
88.98803	100.0
89.02427	4.7
89.04892	0.8
93.03475	1.4
95.01431	1.0
96.96957	2.9
99.00897	1.0
101.02453	5.5
108.02171	2.4
108.58694	0.7
111.04501	0.7
113.02454	5.5
119.03502	1.6
122.03718	2.0
123.04527	3.0
147.94122	0.8
152.01157	5.9
161.04616	1.3
167.03479	13.5
173.04518	1.0
188.09444	0.9
191.05617	61.9
192.05928	2.1
228.96143	1.0
329.08740	2.3
353.08716	8.9
442.24271	2.2
443.12738	1.5
443.19177	31.4
443.24716	2.0
444.09286	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	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03072	0.3
57.03477	0.3
59.01390	1.3
61.98817	3.6
66.25851	0.3
69.03457	0.7
69.25234	1.7
71.01392	1.2
75.22373	0.3
80.02673	0.3
82.20322	0.3
83.05042	0.4
85.02965	0.8
88.04036	0.3
101.02431	0.4
108.02169	24.4
109.03004	0.6
110.98536	0.3
113.02459	2.2
116.07185	0.3
123.04521	12.4
124.04897	0.4
127.05156	0.4
128.03561	1.1
129.10330	0.3
148.12115	0.3
152.01149	45.5
153.01509	1.5
161.04529	0.4
167.03487	100.0
168.03856	3.3
180.10396	0.3
191.05611	0.7
195.04959	0.5
234.30756	0.3
239.12914	0.3
291.10800	0.3
312.15533	0.5
315.07538	0.3
329.08719	5.4
330.09048	0.5
390.22955	0.6
406.22183	1.1
407.22708	2.4
408.23981	2.6
425.23819	0.5
443.11948	0.9
443.24896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
61.54462	0.3
65.61758	0.3
69.03452	0.6
69.47631	1.2
71.01396	0.4
77.62724	0.3
95.54509	0.2
101.02455	0.3
107.47549	0.3
108.02172	20.9
113.02445	2.4
121.14658	0.3
123.04517	11.6
124.04827	0.4
150.05460	0.3
152.01147	39.2
153.01482	0.8
167.03487	100.0
168.03822	3.8
329.08707	6.0
330.08997	0.4
405.98730	0.3
409.83160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64302	0.8
55.01875	1.2
57.03443	1.8
59.01385	6.6
63.73195	0.9
69.03446	8.4
69.38143	1.5
69.38496	3.0
70.34952	0.9
71.01380	21.7
73.02943	8.0
75.00846	0.9
80.02184	0.7
83.01373	2.0
85.02940	8.9
89.02439	2.3
92.98066	0.9
95.01385	2.1
97.03035	0.8
98.21861	1.4
99.00881	3.2
99.04512	0.9
101.02440	14.0
107.05040	4.2
108.02168	12.4
109.02930	1.1
113.02450	34.1
121.02958	5.3
122.03735	100.0
123.04538	46.6
135.04526	2.8
137.06084	5.1
143.03491	2.1
147.04517	2.5
149.02425	4.9
151.04076	1.5
152.01140	16.7
153.45589	0.9
157.30374	1.0
159.02928	3.9
161.04552	28.7
165.05594	8.3
167.03484	35.7
168.03831	1.8
177.05571	4.4
221.08209	4.2
237.02271	0.8
285.09799	10.2
329.08752	55.8
330.08984	2.4
401.14639	1.0
416.20746	0.9
443.11954	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43108	0.3
56.89627	0.3
59.01369	0.6
61.42875	0.3
69.03456	0.5
69.72424	0.6
69.72751	0.4
71.01370	0.4
73.02921	0.3
74.67853	0.3
108.02167	19.2
109.13665	0.3
113.02435	1.8
123.04516	10.4
128.03485	0.4
152.01146	36.1
153.01486	1.2
167.03485	100.0
168.03809	3.3
257.06998	0.5
278.36298	0.4
329.08759	6.6
407.22446	0.9
408.23947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71531	0.8
59.01374	13.3
61.98826	2.0
66.95650	0.8
69.03458	9.8
71.01375	9.3
73.02943	2.4
75.00867	1.4
76.99371	0.9
79.01877	7.3
81.03453	3.2
81.34676	0.9
82.95315	0.8
83.01377	1.1
85.02966	5.1
87.00898	1.2
89.02448	3.6
93.03453	2.0
95.01375	1.8
97.02930	3.7
101.02448	6.5
107.00719	1.3
107.01392	14.3
107.05031	1.5
108.02189	6.8
109.02936	5.7
113.02457	12.9
119.03480	1.1
121.02932	4.2
122.03732	2.5
123.04519	2.4
123.08176	10.3
125.02438	8.8
128.03572	1.7
130.08739	0.9
132.37747	1.1
135.00880	15.0
135.04492	2.0
136.01640	2.1
137.02425	4.8
137.06059	1.4
139.04019	3.5
149.02437	2.0
151.00371	10.1
152.01163	15.4
153.01936	10.2
153.03120	1.3
161.04553	7.1
163.03983	1.3
163.11255	1.4
165.01889	1.5
165.05563	2.4
166.02707	74.0
167.03490	100.0
167.07132	21.7
168.03844	4.0
173.04514	1.6
177.01912	3.7
181.04987	2.6
181.12314	5.1
185.37343	0.9
187.52020	0.9
191.03860	1.4
191.05557	8.6
194.02359	1.1
209.04509	6.4
221.04457	1.1
225.11320	4.9
269.06628	1.3
297.06113	12.0
329.08777	48.2
329.12320	3.9
329.15829	1.7
330.08948	2.0
432.57379	1.0
443.15256	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94345	1.4
55.01873	4.2
57.03442	3.7
59.01375	42.4
61.98829	3.8
66.08703	1.3
71.01382	47.7
71.11357	2.4
73.01837	1.3
73.02945	17.1
75.00886	1.9
83.01388	7.9
85.02940	20.6
87.00877	4.3
89.02430	13.6
93.03451	2.2
95.01392	3.6
97.02914	2.2
99.00863	6.7
101.02437	45.1
113.02449	21.4
119.03504	4.3
122.36153	1.3
123.04557	3.6
125.02424	1.6
131.03452	2.1
137.02408	2.1
139.61649	1.4
143.03529	2.4
149.02454	3.4
156.25903	1.4
159.03014	3.5
161.04558	18.9
179.05554	2.0
221.10306	21.9
222.10719	1.9
329.08820	8.3
383.15570	100.0
383.64447	1.3
384.15866	5.8
402.25278	1.6
421.84442	1.5
443.13092	2.9
443.19360	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	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01376	46.9
61.98810	2.3
69.03452	1.5
69.96816	2.2
71.01381	27.9
72.99296	1.0
73.02937	5.9
83.01378	2.6
85.02955	9.9
87.00883	1.7
88.98796	1.2
89.02444	16.6
95.01398	2.6
98.22564	1.3
99.00877	1.5
101.01797	1.0
101.02440	18.0
111.04528	1.0
113.02445	13.5
119.03517	6.5
119.05016	6.5
122.03735	11.5
123.04512	9.9
137.06165	0.9
143.03499	1.2
149.02423	3.3
149.04515	1.0
150.05569	1.7
152.01144	0.8
157.30750	0.7
159.03084	1.0
161.04565	5.3
163.03990	7.3
167.03485	1.7
171.11702	0.8
174.69928	1.0
178.01381	0.7
189.12833	1.1
191.05621	1.1
238.56821	0.8
285.09842	1.1
329.08746	19.9
330.08841	1.1
443.12457	5.6
443.19162	100.0
444.19388	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93619	0.4
52.17332	0.4
55.01875	1.1
57.03440	1.6
58.00588	0.4
59.01378	36.5
65.52799	0.4
69.33633	2.1
70.19787	0.4
71.01379	23.5
72.99348	0.4
73.02944	4.3
83.01388	3.0
85.02948	8.9
87.00866	1.5
88.98813	5.0
89.02439	13.4
91.98209	0.5
95.01401	2.1
96.96007	0.8
99.00889	1.3
101.02438	14.8
111.04517	0.8
111.26015	0.4
113.02450	8.0
119.03493	5.4
143.02513	0.5
143.03534	1.0
161.04582	1.1
171.11748	0.6
173.04539	0.8
189.12851	1.4
191.05583	3.2
193.05103	0.7
196.20174	0.4
219.13867	0.7
237.14984	0.9
353.08365	0.9
443.19217	100.0
444.19495	8.7
456.87396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	5.9
58.85424	0.4
59.01375	0.5
66.03453	0.4
69.22851	1.1
69.23266	1.0
73.04066	10.4
78.80566	0.4
80.05049	1.4
82.06609	1.3
82.49197	0.4
83.02469	0.5
84.00896	0.6
84.04552	0.9
84.08207	0.6
85.04068	1.7
87.05638	6.3
88.04034	0.7
94.06609	1.2
97.04086	0.4
99.01990	1.1
99.05645	0.7
101.07242	0.9
109.04060	1.3
110.01763	0.7
110.02483	9.0
111.02007	1.1
111.05611	1.2
112.04043	2.4
113.07188	0.6
115.07613	0.4
115.08770	1.0
125.07213	4.1
126.06734	17.6
126.09236	0.7
127.05129	2.9
127.08775	2.2
128.68518	0.4
129.06694	7.5
130.05093	0.9
130.08717	0.8
138.06717	0.5
139.08760	1.5
140.07172	13.3
141.06647	0.9
141.07637	0.5
142.66917	0.4
143.08237	1.2
144.07780	57.4
145.08167	1.0
150.08051	0.4
153.10289	0.7
154.08678	0.5
155.08257	1.1
155.11914	0.7
167.15488	1.0
168.07776	30.6
168.08965	1.2
169.06186	8.4
169.07890	0.5
169.08203	0.5
169.09731	0.5
181.13432	1.6
183.11295	0.4
183.14993	5.2
186.08827	100.0
187.09195	1.9
194.11815	2.8
197.12833	0.5
198.08809	0.6
198.12473	2.7
207.14992	1.0
210.12376	0.7
211.14500	16.3
212.14845	0.8
216.09880	1.3
224.14165	0.6
224.17654	3.3
239.14027	0.5
239.32285	0.4
240.13622	2.4
240.17111	0.8
243.17049	1.2
250.15688	0.6
252.13609	0.8
262.98138	0.4
268.16675	0.9
269.15170	0.4
277.20151	0.6
295.21375	1.7
300.19339	1.0
312.19238	1.3
319.21405	0.6
337.22354	1.6
339.18033	1.4
371.22937	1.3
381.21402	8.9
382.21390	0.6
383.22604	0.6
413.24030	51.7
414.24210	3.5
425.24078	4.5
443.25186	4.2
444.25156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55398	0.5
53.19740	0.5
58.02975	6.7
59.01367	1.2
60.27687	0.5
63.58928	0.5
66.15063	0.5
69.33330	1.6
69.33736	1.3
73.04065	2.0
74.02480	0.8
78.90550	0.5
80.05087	0.6
81.03465	0.6
83.02543	0.6
83.04281	0.5
84.04539	0.9
87.05639	34.4
88.04031	1.4
93.27807	0.6
99.05556	0.5
101.02452	0.5
101.07172	1.3
110.02480	3.8
111.05624	2.9
112.04073	1.7
126.06733	2.6
127.05138	2.3
129.06702	55.5
129.10358	1.8
130.05110	1.5
130.08737	84.8
131.09079	1.9
137.06108	1.5
139.08760	1.3
140.07176	1.6
141.10368	1.9
143.08296	0.8
143.11902	3.5
144.07774	7.1
151.08806	0.8
152.07129	0.7
157.13454	0.8
168.07742	3.0
168.09055	4.5
169.06163	0.6
169.09827	3.6
169.13535	0.7
181.09773	3.6
182.08319	0.7
186.08868	3.4
187.07222	0.9
193.12091	0.6
196.14540	2.3
199.18150	19.9
209.16600	1.0
214.15622	3.4
225.16057	4.7
226.08690	0.6
238.15608	3.1
243.10316	3.9
243.17104	12.7
256.16473	0.7
256.17169	0.7
256.20297	13.3
281.15988	0.9
282.14667	2.8
300.19287	2.2
312.15887	1.0
312.19226	4.3
327.23999	9.5
328.24191	0.7
369.25079	1.4
371.23032	1.6
413.24036	79.7
414.24329	5.3
425.24060	8.1
443.25092	100.0
444.25449	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	443.3374
Annotation	oscr#34
Peak:m/z	Relative Intensity
54.09282	0.1
57.03443	0.9
59.01375	1.7
69.03451	0.4
71.01385	0.3
71.05033	0.2
77.40717	0.1
80.02678	0.2
81.03478	0.2
83.05028	0.2
89.02450	0.6
91.04012	1.5
101.46541	0.1
149.06081	0.1
160.03407	0.1
203.96411	0.1
279.26926	0.8
280.27197	0.1
305.28513	1.6
306.28885	0.2
307.30029	100.0
308.30380	7.3
325.31067	2.6
326.31564	0.2
351.29010	46.6
352.29355	3.7
369.30045	99.2
370.30386	7.4
370.35178	0.2
378.61313	0.1
443.33728	69.5
444.34082	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	443.3375
Annotation	oscr#34
Peak:m/z	Relative Intensity
51.00662	0.8
52.81345	0.8
57.03461	1.3
59.01381	1.2
70.74495	1.0
75.67823	0.8
82.50612	0.9
87.95873	0.8
89.02464	0.7
91.04018	1.3
117.47252	0.9
134.97334	0.8
181.95792	1.0
307.30054	96.8
308.30426	6.5
325.31018	1.6
351.29019	50.2
352.29443	1.5
369.30060	100.0
370.30374	6.2
443.33743	83.5
444.34195	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	443.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01375	2.1
61.98829	1.4
67.43477	0.5
70.89579	0.7
89.02441	0.6
90.77042	0.5
91.03999	1.3
137.15088	0.5
145.02966	3.8
161.02519	0.6
164.83618	1.8
281.24893	1.2
297.24084	0.6
305.28470	1.8
307.30035	100.0
308.30356	7.6
325.31137	2.6
340.62723	0.5
351.29010	49.5
352.29205	3.6
365.94046	0.5
369.30051	99.6
370.30371	7.9
382.89633	0.5
443.05673	0.7
443.28497	3.1
443.33719	69.2
444.34146	6.7
457.45511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
59.01377	100.0
60.01712	1.9
61.98822	2.7
69.03442	2.3
71.01379	46.8
73.02935	4.4
81.00299	1.0
83.01390	2.8
85.02950	9.3
87.00871	2.7
87.04515	4.3
89.02441	52.4
93.03435	2.7
95.01383	2.7
95.05023	3.7
98.21780	1.8
101.02441	27.9
111.04550	1.6
113.02444	29.7
119.03497	22.2
121.03011	1.1
122.03781	1.8
123.04481	1.1
131.03532	7.5
138.01976	4.9
139.04004	27.0
143.03482	4.7
151.02727	2.5
152.03493	10.5
156.83873	1.1
161.04599	6.9
166.01474	6.1
168.03012	33.1
173.04480	1.8
179.05598	37.4
180.26259	1.1
191.05566	3.4
209.11830	12.2
210.04076	6.0
222.04044	3.8
233.06606	3.2
235.09779	2.0
253.09241	2.5
293.08725	4.8
330.08270	97.9
331.08591	4.6
444.11414	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	444.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.3
61.98830	100.0
62.74907	0.5
70.63495	0.9
71.01381	4.5
73.02952	0.9
77.75442	0.5
85.02960	0.7
101.02457	1.3
101.04173	0.5
113.02469	0.9
133.06665	0.8
161.04549	0.8
198.74141	0.6
203.05670	4.1
244.66817	0.6
245.72990	0.5
286.83386	0.7
311.49771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73794	0.3
59.01377	5.6
61.98829	0.9
68.01897	0.3
71.01384	1.3
72.19880	0.3
73.02956	0.7
74.69588	0.4
85.02953	1.1
87.00891	0.4
87.04518	0.7
89.02480	0.7
93.03458	0.5
101.02450	0.8
103.35172	0.3
104.72541	0.4
108.02152	0.6
109.02953	0.8
113.02460	1.4
137.02434	2.6
137.69917	0.3
138.03226	6.2
152.01233	0.4
153.01964	0.5
161.04556	0.8
167.02220	1.9
168.03014	100.0
169.03369	2.6
173.04559	0.4
175.22174	0.3
180.57307	0.3
191.05562	0.8
197.21265	0.4
209.11768	0.6
241.08727	1.0
244.10506	0.6
283.72211	0.4
297.18613	0.7
300.15399	0.4
312.40518	0.4
324.22925	0.4
330.08279	37.0
331.08679	2.0
371.79855	0.3
438.95184	0.4
443.22272	0.4
444.10706	0.4
444.22955	1.2
445.11349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1295
Annotation	Azicemicin B
Peak:m/z	Relative Intensity
52.71758	0.6
57.03424	0.9
59.01381	9.3
60.99290	2.0
61.98821	1.2
65.99834	3.0
67.01887	6.5
69.03460	1.3
71.01385	5.5
71.03835	1.1
73.02948	1.5
81.03449	1.7
83.05054	1.0
85.02932	1.7
87.00878	12.6
89.02429	3.5
90.18590	0.7
93.03459	35.7
94.03813	1.2
101.02425	2.0
101.85177	0.6
102.02795	0.8
111.03326	0.7
111.04504	5.9
113.02415	2.2
115.08788	0.9
119.03472	1.3
123.04442	0.8
123.14806	0.7
125.02476	1.3
128.03531	2.7
129.01924	1.3
130.08743	1.4
131.08644	3.5
137.02434	0.8
155.03487	2.2
161.04596	0.9
167.03473	2.5
167.07405	1.1
168.03845	2.3
169.05336	5.6
173.04543	31.0
174.05000	0.8
179.10794	1.2
182.06073	0.8
182.09857	0.9
183.06961	1.5
185.04794	0.9
191.05583	5.9
196.07451	0.7
197.04788	1.4
198.09247	5.5
200.69148	0.7
208.07671	2.1
210.05550	5.0
211.06349	10.9
224.07089	1.0
225.07945	2.1
226.08727	100.0
227.09047	4.8
270.07687	48.5
271.07980	2.1
281.35980	0.7
283.12137	0.8
329.08603	1.0
330.09177	2.0
399.26193	1.0
408.23892	4.3
444.13004	74.7
444.19345	5.5
445.13147	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	444.1443
Annotation	Cassiarin D
Peak:m/z	Relative Intensity
57.03440	1.6
57.97548	1.1
58.99599	3.8
59.01376	7.2
60.99277	1.1
61.98805	1.8
68.86948	1.0
70.36137	0.9
71.01376	8.0
71.08803	1.4
72.00893	3.2
73.02945	2.9
74.02470	39.9
76.22724	1.0
80.05066	1.1
80.39800	1.0
84.00919	1.3
85.02931	2.6
86.02486	1.7
89.02425	2.9
96.03286	1.4
96.04541	7.1
96.99889	1.7
101.02438	3.8
101.62910	1.0
102.00175	6.2
102.02777	1.0
104.03535	27.2
107.04999	1.1
108.02171	4.5
110.06107	2.5
112.02779	4.6
112.99430	1.0
113.02467	6.8
114.02794	1.3
115.04078	1.2
121.02970	1.1
122.03741	14.8
122.06121	30.9
123.04158	3.7
123.04513	5.7
124.02814	9.6
124.04833	2.1
128.01759	3.4
130.08702	3.1
135.04581	1.5
139.08772	3.3
140.03516	15.4
140.07199	1.4
142.03822	3.6
143.11896	4.4
143.31183	1.2
152.01132	9.4
153.10350	1.9
154.03389	5.3
155.08260	4.1
155.11858	7.7
156.04904	1.7
161.04544	5.9
162.04878	2.2
165.06693	2.1
166.08736	2.1
167.03491	16.4
168.03900	1.1
169.01517	1.7
169.09866	8.4
173.04657	1.1
173.12877	1.5
181.09816	28.5
187.10899	3.7
191.05650	2.6
198.05933	3.9
199.05475	2.3
199.10884	3.0
213.08820	4.2
217.11754	1.2
221.08173	1.6
223.09694	3.7
224.14046	3.3
235.14583	5.5
261.12512	2.7
261.16083	1.2
285.09262	1.9
286.10089	1.2
295.11197	1.5
313.12228	2.9
329.08810	3.2
330.09052	8.0
338.15466	3.8
339.10226	2.6
370.14288	11.2
382.14383	4.3
400.15454	12.9
426.13324	3.4
444.14438	100.0
445.14923	8.4
468.85345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.7
60.01741	0.7
61.98829	100.0
71.01389	2.9
73.02965	1.6
85.02948	1.0
88.98801	1.1
89.02453	1.8
93.03463	0.8
101.02470	1.1
104.03538	1.1
113.02447	1.4
116.92853	1.0
121.02991	1.6
121.38826	0.5
124.75574	0.7
128.03558	1.0
134.03792	0.7
135.04523	0.9
143.03462	1.0
154.02698	1.1
161.02467	1.3
161.04564	1.4
167.03403	0.8
169.05077	1.2
173.04668	0.8
179.07202	2.8
180.07487	1.8
191.05632	2.1
201.12698	0.6
205.12434	1.4
215.39526	0.6
228.57663	0.7
338.59076	1.2
400.18686	0.7
406.22620	1.0
444.25644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01378	13.8
61.98829	74.0
69.03461	1.3
70.61974	0.8
71.01384	10.3
72.01699	0.9
72.99306	1.0
73.02943	2.4
83.01403	1.0
85.02953	5.4
85.07206	0.7
86.00096	3.4
87.00873	18.3
88.98794	1.0
89.02441	6.3
93.03480	1.0
93.72775	0.8
95.01377	1.3
99.00909	2.0
101.02441	9.7
107.03754	0.8
108.04555	0.8
111.00867	1.8
113.02442	6.2
114.02776	1.4
119.03503	1.3
119.73330	0.8
121.05337	3.5
122.03741	2.6
122.06116	30.9
123.04565	1.3
125.02452	1.1
131.03487	1.5
134.06134	5.7
135.03300	1.4
136.04030	1.6
136.07678	17.6
137.02438	4.2
138.05624	1.6
145.67947	0.8
146.06061	1.1
148.07677	1.7
149.04781	1.4
150.05605	97.4
151.05963	2.9
152.07179	7.7
160.07735	1.1
161.04626	3.3
162.05568	2.5
163.04097	0.8
164.07178	2.6
167.03528	1.6
168.06664	1.2
170.12926	0.8
174.05580	2.1
175.06323	5.5
176.07188	8.6
179.05637	1.2
191.05733	1.1
192.06601	1.5
194.08218	2.8
197.04677	1.0
204.06657	2.7
209.81383	0.8
222.07692	2.8
227.17110	0.8
235.11909	1.0
252.08806	1.4
267.10922	8.5
300.10840	1.0
312.10901	41.3
313.11295	1.9
328.10095	0.8
329.08737	1.6
330.11954	100.0
331.12213	6.9
331.67899	0.9
360.17963	0.8
397.17200	1.3
417.62845	0.9
444.13596	1.6
444.19623	4.3
445.13266	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	444.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78120	0.3
54.93467	0.3
59.01377	9.4
61.98828	100.0
65.60604	0.3
71.01382	2.7
85.02963	0.8
89.02463	2.3
99.00971	0.3
100.45498	0.3
101.02436	1.8
112.32965	0.4
113.02454	0.8
118.31767	0.4
119.03529	0.9
130.01517	0.3
179.10805	1.2
184.78313	0.4
185.06116	1.2
201.09218	15.7
202.09567	0.7
239.10901	0.3
267.10114	0.4
283.12079	0.4
381.15546	13.8
382.15918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.50903	0.4
61.98820	0.7
67.69508	0.4
69.03455	10.7
71.01379	0.9
85.02943	1.1
95.01393	1.0
98.00108	0.9
108.04530	1.1
113.02451	100.0
114.02777	1.7
121.02946	7.4
127.04037	1.9
136.07671	1.1
139.00374	1.7
139.04042	1.6
172.10408	0.4
176.10925	0.6
181.06625	0.9
198.09206	0.5
214.08719	0.5
225.05656	0.6
239.09473	0.7
254.11844	5.3
313.07150	1.8
330.13599	2.6
426.15485	0.7
444.16577	7.4
445.11517	3.3
445.16858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1667
Annotation	Fumiquinazoline B
Peak:m/z	Relative Intensity
55.01877	14.1
57.03436	3.4
59.01380	3.2
61.98820	2.6
66.83073	1.1
73.02961	2.7
83.04976	1.5
84.02172	2.2
85.02943	3.8
87.00886	1.4
88.58355	1.0
93.03439	1.4
95.05047	2.4
100.00372	1.1
104.03493	1.2
108.02192	1.6
109.02997	1.8
111.00911	1.4
111.04519	5.1
112.01669	39.6
113.02446	16.5
119.05094	1.0
123.04552	10.1
125.02501	1.3
127.04012	61.0
128.04385	2.3
134.06123	1.7
137.06085	2.0
138.05640	1.6
139.00389	1.8
139.04025	2.2
144.00645	17.5
148.07721	1.8
149.06087	1.9
150.05544	1.5
151.04015	2.1
152.04826	1.3
161.02496	2.4
162.05545	1.1
163.07619	1.5
164.07123	1.7
165.05600	2.9
167.62946	1.1
173.04611	1.2
178.05038	1.6
184.78653	1.1
186.28171	1.3
188.10896	1.4
192.06540	1.7
198.06946	3.0
198.09402	1.2
213.57822	1.2
214.08728	1.1
216.10320	3.6
218.08215	2.1
220.03729	1.2
226.06372	19.2
228.13966	2.5
230.08269	2.2
239.10796	2.9
241.08698	43.2
241.11179	2.2
241.42595	1.1
242.08168	1.4
242.11758	1.5
244.09767	2.8
244.13467	2.8
249.68420	1.3
267.10187	5.2
272.12854	15.5
282.12646	5.5
288.12534	3.8
306.14975	1.3
316.11890	100.0
317.12149	7.0
324.16025	3.1
368.14957	2.5
383.03305	1.2
400.17651	17.4
401.17746	1.3
411.00867	1.3
412.14206	6.0
426.15729	2.6
444.16653	52.0
445.17038	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	444.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
59.01373	6.4
61.98821	2.7
75.86326	1.3
81.03458	1.7
91.47399	1.3
93.54797	1.0
95.01382	17.5
100.38131	1.2
109.02947	1.8
111.00849	1.6
112.01663	3.8
113.02424	3.7
122.03708	1.8
124.01639	2.8
125.02439	5.3
127.04000	9.5
139.00377	53.3
139.03998	9.3
139.55260	1.3
144.00673	1.5
150.03230	4.1
152.04741	1.8
152.53181	1.1
167.03473	10.3
167.07167	3.2
195.06596	2.8
218.52257	1.3
258.15042	2.9
290.17572	3.6
292.16983	3.3
324.19696	1.8
336.16107	2.9
368.18680	17.0
369.19421	1.4
412.17484	9.9
444.20261	100.0
445.20749	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	444.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17820	1.4
53.58814	1.4
54.78256	1.3
55.01872	3.8
56.12161	1.3
58.60921	1.4
59.01354	4.4
60.24226	1.2
61.98815	4.9
70.14314	2.6
70.14622	2.0
90.67062	1.3
95.01374	12.1
104.50590	1.4
111.00872	2.1
112.01658	3.3
113.02396	2.3
122.03757	1.9
125.02464	3.6
127.00378	2.5
127.04017	7.2
133.16747	1.5
139.00366	40.0
139.04022	9.2
144.00652	1.7
150.03210	6.5
152.04816	1.9
167.03490	9.7
167.06958	1.4
180.04317	1.7
181.04944	1.3
214.34955	1.3
258.14932	1.8
280.13626	1.6
282.11432	1.8
292.17139	4.1
336.16000	1.4
368.18604	8.0
380.14935	1.7
412.17761	7.2
444.20270	100.0
445.20520	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	444.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72701	84.6
58.45695	76.6
59.04082	79.5
70.73455	100.0
73.26323	72.3
74.51923	75.9
80.46613	72.8
87.96708	77.4
97.76920	81.6
100.12449	70.7
143.39281	88.0
166.35973	85.6
203.12065	77.4
218.44186	87.5
228.03549	88.7
255.11102	76.3
461.94397	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96238	23.2
53.74097	22.9
69.38037	100.0
69.38440	38.1
83.13747	23.5
130.43683	24.8
163.30617	28.7
181.70071	26.1
197.21945	30.6
203.35185	24.5
209.08220	86.9
224.95865	25.5
240.70442	25.4
296.57562	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64505	13.9
55.11306	17.5
59.01362	20.3
68.63105	16.1
70.24174	13.8
80.47852	14.2
162.83908	100.0
187.35101	20.1
238.32573	15.3
253.75426	17.4
262.63574	17.0
280.57770	15.0
290.85742	15.4
426.92496	17.1
444.08112	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52928	100.0
59.01378	93.4
71.09467	94.3
82.64231	94.9
117.71828	86.7
143.72685	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62466	30.7
56.85271	26.8
57.79225	29.7
62.24516	32.2
69.37991	100.0
121.59011	30.7
162.76871	31.8
333.20807	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	445.0776
Annotation	Apigenin 4'-glucuronide
Peak:m/z	Relative Intensity
54.03101	0.8
57.03419	1.0
59.01381	8.2
61.98828	17.5
65.00327	1.8
65.79595	0.7
69.99015	1.9
69.99368	1.2
71.01385	4.6
73.02972	1.3
75.00861	1.5
80.06787	0.8
81.68697	0.8
85.02942	8.9
87.00862	1.5
89.02440	1.7
93.03445	1.0
95.01368	3.1
98.22762	0.9
98.62624	0.7
99.00874	2.9
101.02513	0.9
103.00364	1.6
107.01402	1.3
109.02953	1.2
113.02449	18.0
121.02990	1.3
123.04453	1.2
127.97429	0.9
128.58060	0.8
129.01929	0.9
133.53229	0.8
136.98795	2.3
139.00366	1.5
141.07033	0.9
148.01686	0.9
151.00388	4.5
163.00343	1.1
167.04955	0.9
169.06543	2.9
171.04556	1.0
175.02451	3.1
178.99820	3.1
185.06053	0.9
195.04507	1.7
197.06035	1.9
213.05557	1.4
223.03981	3.5
241.05020	3.2
243.02895	2.0
251.03577	2.7
255.02896	5.1
269.04532	100.0
270.04782	5.1
271.02444	8.6
289.07144	1.6
300.02759	12.8
301.03500	22.1
307.02380	0.9
320.96759	0.9
445.07645	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	445.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76844	0.6
59.01365	2.9
61.98808	0.9
69.03447	3.2
69.47594	1.5
69.47987	1.7
71.01416	1.0
79.01871	0.8
81.03465	1.1
83.01379	1.6
83.47118	0.7
85.02942	0.7
87.04507	2.4
95.01369	1.0
96.26363	0.7
97.02943	2.9
101.02422	1.0
104.68915	0.7
107.01391	1.6
109.02924	1.0
109.59971	0.6
112.42805	0.6
113.02425	3.0
121.02954	0.9
123.00877	6.4
124.01665	17.5
125.02445	65.3
126.02795	1.9
131.03511	2.6
134.27705	0.6
137.02454	2.4
149.99588	25.7
151.00304	1.4
167.03484	1.9
168.00638	62.7
169.01392	7.7
177.05627	3.7
198.21832	0.7
199.98117	0.7
213.28773	0.7
266.71677	0.8
276.82361	0.6
287.07803	2.2
313.05655	6.3
325.12967	0.7
331.06689	47.9
332.06976	2.3
357.64075	0.7
427.08679	1.4
445.09863	100.0
446.10098	7.2
448.67184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17167	0.8
59.01382	4.3
63.10956	0.8
67.01469	0.7
69.03440	4.9
69.46455	1.8
69.46843	1.6
69.69215	0.9
71.01398	1.4
76.38125	0.8
79.01898	1.8
81.03462	2.2
83.01390	1.8
85.02951	1.8
87.04517	3.8
95.01400	1.3
97.02949	3.5
98.22616	1.1
107.01398	2.4
109.02950	0.8
113.02452	5.3
121.02917	0.9
123.00899	7.9
124.01660	22.8
125.02444	97.0
126.02794	2.3
131.03502	4.6
137.02434	4.7
147.71194	0.8
149.99577	39.0
151.00279	3.5
163.65623	0.9
167.03510	2.0
168.00636	86.6
169.01395	9.3
177.05548	3.2
179.03529	0.9
211.02469	1.2
220.93719	0.8
287.07761	2.9
300.10809	0.9
313.05649	8.2
331.06668	58.3
332.06995	3.1
427.08798	1.7
445.09857	100.0
446.10175	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	445.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76844	0.6
59.01365	2.9
61.98808	0.9
69.03447	3.2
69.47594	1.5
69.47987	1.7
71.01416	1.0
79.01871	0.8
81.03465	1.1
83.01379	1.6
83.47118	0.7
85.02942	0.7
87.04507	2.4
95.01369	1.0
96.26363	0.7
97.02943	2.9
101.02422	1.0
104.68915	0.7
107.01391	1.6
109.02924	1.0
109.59971	0.6
112.42805	0.6
113.02425	3.0
121.02954	0.9
123.00877	6.4
124.01665	17.5
125.02445	65.3
126.02795	1.9
131.03511	2.6
134.27705	0.6
137.02454	2.4
149.99588	25.7
151.00304	1.4
167.03484	1.9
168.00638	62.7
169.01392	7.7
177.05627	3.7
198.21832	0.7
199.98117	0.7
213.28773	0.7
266.71677	0.8
276.82361	0.6
287.07803	2.2
313.05655	6.3
325.12967	0.7
331.06689	47.9
332.06976	2.3
357.64075	0.7
427.08679	1.4
445.09863	100.0
446.10098	7.2
448.67184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
56.32175	0.6
57.03436	1.3
58.99601	16.3
59.01378	22.7
61.98827	6.8
69.57927	1.7
71.01382	16.3
73.02943	5.9
77.48052	0.7
80.12120	0.7
83.01388	1.7
85.02940	7.1
86.78970	0.7
87.00876	21.0
89.02441	6.3
95.01404	1.8
96.01799	0.6
98.21876	0.6
99.00893	1.4
101.02444	7.6
102.98596	90.9
104.03510	0.7
108.02161	2.4
113.02441	8.3
119.03518	1.6
120.99619	0.7
123.04504	1.7
125.02480	0.8
135.04483	1.0
139.30644	0.6
143.08237	0.6
145.03020	3.5
146.03722	3.7
147.04543	6.9
153.00151	1.2
159.02986	1.0
161.04552	7.2
173.04536	0.9
174.04907	0.6
179.01729	12.9
179.05557	1.0
179.10800	1.7
180.02499	8.7
191.05632	1.6
195.04846	22.2
196.05183	1.1
203.90073	0.6
205.12283	1.8
249.06137	9.1
283.04922	100.0
284.05240	3.8
445.11618	0.8
445.25864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10848	0.5
59.13821	0.5
61.98819	1.1
70.50206	0.7
72.00902	6.9
74.02463	12.4
83.30727	0.5
86.46082	0.6
108.97215	0.6
116.05050	39.9
117.05389	1.2
129.05882	1.4
130.06615	11.4
142.06625	10.5
154.97781	0.6
157.07663	1.0
159.09251	9.5
186.05608	1.6
203.08243	100.0
204.08562	3.5
213.03421	1.6
219.07683	0.9
237.55544	0.6
241.03825	48.3
242.04097	1.7
259.04025	1.9
268.03973	0.8
314.04626	1.1
332.37048	0.7
445.12378	12.9
446.12314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71662	0.3
53.14889	0.3
55.01867	0.8
57.03433	0.6
59.01378	14.9
67.05521	1.2
68.71744	0.3
68.99815	0.9
69.03458	2.6
69.33038	0.5
69.33450	1.1
71.01374	7.0
71.72817	0.3
72.99312	0.4
73.02947	0.7
81.03450	1.1
83.01384	0.4
85.02934	1.9
87.00855	0.4
87.04485	0.3
89.02441	10.3
93.03443	0.5
95.05022	10.9
97.02943	0.3
98.22660	0.4
99.00836	0.4
101.02435	3.6
107.05047	0.3
111.04499	0.3
113.02449	13.5
119.03495	3.7
123.04568	0.5
124.01652	0.5
131.03481	0.4
135.04498	1.2
139.04010	100.0
140.04362	2.2
143.03506	0.5
150.03175	0.7
151.03998	0.5
155.01723	1.3
161.04564	1.8
164.74973	0.2
179.05621	3.3
183.01195	4.0
191.05582	0.5
196.21429	0.3
198.03615	0.7
226.06363	0.9
241.08661	3.2
283.15338	0.3
292.63495	0.3
331.17670	1.7
445.21371	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	445.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.5
69.38017	11.5
69.38312	2.3
71.01389	7.2
83.05009	3.8
89.02442	5.5
101.02447	5.7
101.81063	2.2
113.02459	4.1
143.98416	2.1
163.11266	3.8
165.12903	2.6
179.10771	6.8
191.05525	2.8
193.12466	2.6
209.11826	100.0
210.06616	2.1
210.12167	3.2
221.11867	2.4
248.89119	2.1
253.09299	13.8
255.03009	3.2
315.67618	2.0
355.50143	2.1
369.53531	2.4
385.15027	2.8
453.73410	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	445.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14106	17.5
55.39952	14.5
56.23524	18.7
59.01389	100.0
69.35266	65.2
69.35664	38.8
71.01373	46.1
75.00890	28.8
85.02931	18.9
89.02444	21.5
91.16388	17.1
108.72057	16.5
139.03998	48.7
160.74713	16.5
163.44524	16.4
179.10770	20.6
209.11844	71.8
259.39136	19.9
288.17178	18.0
331.13870	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42252	0.4
59.01376	100.0
60.01704	0.7
61.98823	0.6
65.90951	0.4
69.40813	0.9
69.41212	1.2
71.01379	15.1
73.02938	0.8
77.91017	0.4
83.05042	2.3
85.02951	2.6
87.00893	0.7
89.02439	26.2
92.35207	0.4
94.10916	0.4
95.01373	0.9
98.22747	0.7
101.02443	7.4
113.02443	7.2
116.92812	0.5
119.03492	10.5
123.04577	0.6
125.02412	0.7
127.33187	0.4
131.03510	1.4
139.00366	1.0
143.03450	2.8
149.04587	1.0
152.01164	0.6
152.30153	0.4
153.01903	3.7
154.02660	0.9
161.04556	4.4
165.64581	0.4
167.03535	1.3
168.04260	2.4
169.01416	0.7
169.05069	1.5
179.05603	19.0
197.04593	1.6
205.12332	0.8
260.24908	0.4
283.08307	1.0
283.11566	0.4
331.10352	2.7
348.78995	0.4
416.08188	0.4
445.20932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01374	100.0
60.01700	1.1
61.98832	2.3
64.17236	0.9
69.03468	0.9
71.01376	31.0
71.42412	0.7
72.99327	1.2
73.02941	6.8
78.91903	0.7
79.18472	0.7
81.03493	0.7
83.01378	2.3
85.02954	8.7
87.00873	1.6
89.02432	20.3
95.01398	2.4
97.02943	2.2
99.00893	1.4
101.02432	16.6
108.05795	0.9
113.02436	13.8
113.06094	0.9
119.03505	7.2
121.02943	4.7
123.04509	1.6
123.08168	1.9
124.01624	1.1
125.02450	8.7
125.06062	2.5
132.03009	0.9
136.05301	0.8
137.02473	1.3
137.06085	1.4
138.06871	6.3
139.07619	3.4
143.03452	3.1
149.99524	1.5
151.07626	7.7
152.08411	13.3
153.09196	40.5
154.09566	1.3
159.02988	2.3
161.04547	19.4
163.11263	1.5
165.09225	1.3
167.03500	1.7
168.00652	4.3
169.01401	2.6
169.05052	1.2
179.05624	7.4
205.12308	16.4
223.13354	20.2
229.99329	1.0
240.12592	0.8
259.92664	0.8
274.77240	0.9
321.75958	0.9
331.06638	3.4
385.14761	1.4
385.18643	37.5
386.14502	0.9
386.19080	2.3
391.22910	1.4
407.22546	7.1
408.23718	2.9
409.24207	5.1
445.10031	4.9
445.22470	3.2
446.10327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74265	0.9
55.01872	2.8
57.03441	2.0
59.01381	37.4
59.87850	0.6
61.98825	3.3
69.03451	16.4
69.40351	3.1
71.01380	41.9
72.99293	0.7
73.02943	10.0
77.74931	0.7
80.53003	0.6
81.03461	0.7
83.01392	3.0
85.02948	15.5
87.00874	1.4
89.02443	28.5
93.03448	0.9
95.01398	2.6
95.05016	4.7
96.90718	0.7
97.02964	1.2
98.00057	1.0
99.00868	3.4
101.02442	27.1
113.02449	100.0
114.02740	1.4
119.03500	10.2
125.02438	1.6
131.03497	2.0
139.04013	41.0
143.03519	3.9
149.04532	0.9
159.02971	2.8
159.93347	0.7
161.04559	32.9
162.04857	1.1
179.05618	5.6
290.28464	0.6
331.17584	22.6
331.21558	1.2
332.17883	1.2
445.20590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
57.03439	1.0
59.01378	50.5
60.53971	0.8
61.98817	1.7
67.01839	0.6
69.03452	13.9
71.01380	34.8
71.43571	0.8
72.01698	0.6
72.99315	1.4
73.02939	5.4
78.06875	0.6
83.01382	2.6
85.02953	7.4
87.00871	2.3
89.02444	39.4
90.02767	1.2
91.90432	0.7
93.80233	0.7
95.01380	2.0
95.05033	0.9
98.00089	1.1
99.00876	1.7
101.02444	20.7
113.02451	100.0
114.02779	1.6
115.04102	0.8
119.03505	18.3
131.03514	2.6
139.04005	10.5
141.66235	0.7
141.84406	0.6
143.03496	5.0
149.04532	1.8
161.04565	9.0
162.04942	0.7
162.49905	0.6
174.17274	0.7
179.05620	17.5
247.10492	0.7
331.17590	14.2
401.25507	1.1
424.47754	0.8
445.25317	1.3
446.18149	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12165	0.3
55.82840	0.3
58.13322	0.3
59.01370	1.3
67.79792	0.3
71.40136	0.5
78.95901	5.2
83.05019	0.4
110.98526	4.6
137.00046	0.4
167.01147	2.3
176.68657	0.4
185.02182	4.2
214.59988	0.3
233.22644	0.4
259.20581	0.5
277.21707	100.0
278.22049	6.3
394.17938	0.4
445.23599	9.5
446.24054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.5
63.28310	0.3
68.15404	0.3
70.73502	0.6
78.95904	5.5
80.76408	0.3
110.98532	4.1
152.99570	0.4
163.97382	0.4
167.01196	1.8
183.93944	0.4
185.02199	3.9
233.22768	0.5
259.20538	0.6
277.21707	100.0
278.22028	6.4
304.34659	0.4
349.81601	0.3
445.23618	8.2
446.23917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99883	3.5
59.01379	100.0
61.98804	11.0
66.36378	3.1
73.95875	3.2
78.95908	10.5
87.63806	3.8
96.96053	4.7
105.20675	3.3
184.99397	3.4
202.28929	3.2
224.76758	3.6
311.22287	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	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98810	3.0
63.35625	1.3
66.44443	1.3
91.04005	4.6
96.96027	1.8
104.59432	1.6
121.02979	1.8
157.07925	1.3
157.71060	1.3
211.13318	2.8
232.40524	1.4
258.31046	1.7
265.10614	1.4
311.22253	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	445.332
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
51.76777	0.9
52.71257	0.7
52.98695	0.7
62.00640	0.8
76.48353	0.7
84.02167	0.7
85.11880	0.8
89.34397	0.8
97.23376	0.7
106.04258	6.4
109.02969	2.4
121.02956	22.0
122.03722	2.5
123.00854	1.2
126.95932	0.8
137.02431	3.0
149.02422	10.1
150.03238	1.9
158.00014	0.7
160.08890	6.0
161.09712	11.1
163.03975	0.9
163.07671	5.7
204.07927	1.4
205.08698	6.1
211.03552	0.9
275.16483	1.0
307.33057	0.8
359.25903	1.2
445.33206	100.0
446.33505	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	446.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98827	100.0
69.03434	0.2
69.28114	1.2
71.01385	0.6
85.02953	0.3
85.15098	0.2
89.02467	0.4
93.86363	0.2
98.15066	0.2
101.02417	0.4
113.02439	1.5
127.51575	0.2
227.03613	0.2
269.10254	1.1
270.05008	0.8
271.02322	0.2
272.02890	0.4
285.04153	0.6
289.07251	0.3
300.02661	0.3
301.03351	0.7
302.03830	0.5
446.07666	0.2
446.22052	0.5
447.09503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57436	6.9
51.93267	7.3
59.01371	100.0
61.98831	13.3
71.01357	13.5
85.02945	9.7
109.53368	6.5
121.55459	7.5
188.33556	8.0
447.22369	9.1
468.96994	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	446.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89906	0.2
59.01376	6.3
60.98414	0.3
61.42208	0.3
69.13757	1.8
69.38158	0.3
71.01377	2.9
72.00907	12.8
74.02472	18.7
82.14817	0.3
89.02447	4.3
101.02457	1.6
101.03058	0.3
103.00373	0.8
104.03535	100.0
104.09625	0.3
105.01928	2.5
105.03856	1.5
113.02426	1.4
119.03504	1.4
131.03514	0.4
161.04588	0.4
167.03452	0.5
179.05630	2.5
198.04126	0.3
211.28178	0.3
243.53917	0.3
250.92874	0.3
272.57950	0.4
341.10889	13.6
342.11020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1818
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
55.01870	0.8
59.01361	2.1
61.98824	1.7
67.65520	0.7
69.47045	3.1
71.01367	2.4
73.02944	1.1
84.67458	0.7
91.03989	0.8
93.03455	1.3
97.02934	0.9
98.21902	1.5
112.01632	1.5
113.02438	1.4
120.01221	0.8
127.03981	3.5
133.02971	0.9
136.05173	0.7
150.06844	12.4
154.64339	0.7
161.02385	3.1
161.04546	2.6
175.74425	0.8
180.44608	0.8
193.04810	0.9
220.85313	0.9
241.12321	100.0
242.12628	5.4
296.36786	0.8
307.19125	1.5
312.72995	0.8
329.23364	3.2
393.11057	0.9
402.19171	1.5
403.17523	2.2
446.17426	2.1
446.22751	1.3
447.22064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1821
Annotation	Naamidine G
Peak:m/z	Relative Intensity
52.96459	1.4
53.13764	1.6
55.01641	2.3
55.01880	33.2
59.01376	2.0
61.98818	4.3
71.05013	1.7
71.39877	1.7
73.02941	4.9
75.00273	1.5
84.02168	2.0
84.04526	2.9
87.00887	3.1
87.04555	1.7
91.14073	1.5
96.04562	2.4
99.00848	2.5
100.93394	1.8
103.28243	1.7
103.67212	1.6
107.04990	1.8
109.02932	5.0
109.06504	1.8
111.00853	4.1
111.04537	1.7
112.01671	57.4
113.02441	4.3
119.42430	1.7
121.02943	6.6
122.03716	6.2
123.04515	5.6
125.02438	2.8
125.06054	1.8
127.00419	2.4
127.04015	90.4
128.04367	1.9
132.08168	1.9
135.04460	3.3
136.07658	2.3
137.02403	1.9
138.03206	5.7
139.00352	3.0
139.03969	3.4
143.99559	2.4
144.00645	35.1
146.06012	1.6
149.05997	2.3
150.03181	2.2
152.04785	3.0
160.07639	1.5
162.05597	2.3
163.07684	2.7
164.07024	1.7
167.07127	1.9
170.02170	2.3
175.03928	1.8
177.05533	4.8
181.05136	1.9
183.06677	2.0
188.07173	2.4
189.05560	1.8
193.04985	2.0
202.08727	4.2
205.21344	1.8
206.11850	2.6
214.08585	1.9
238.12158	2.1
244.09908	2.0
256.13364	3.1
260.09314	1.9
262.10825	3.7
274.14499	1.7
300.12445	3.7
308.79800	1.6
316.11478	1.7
317.12778	1.7
318.13321	5.9
319.14084	2.9
329.23004	1.9
332.15021	2.2
344.15353	1.7
352.15103	2.3
360.14380	2.0
370.16498	3.2
384.17957	3.8
402.19205	11.9
428.17062	5.9
446.12988	3.7
446.18091	100.0
447.18475	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30042	0.8
55.14323	0.9
59.01356	2.7
61.98819	1.0
74.99062	4.2
78.95904	3.9
91.02189	1.3
93.00141	1.4
106.04242	3.3
107.05036	5.2
109.02940	1.3
110.98509	3.4
121.02946	1.6
150.03226	2.0
150.98868	2.8
151.03944	1.1
167.01122	2.2
185.02193	2.2
208.97607	43.4
209.97589	2.2
223.02846	1.3
225.00749	100.0
226.00883	4.5
226.98688	0.9
243.01790	10.7
279.23267	70.3
280.23709	1.7
318.29288	0.8
377.26971	15.2
447.09116	1.8
447.25101	6.1
447.31058	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03432	2.7
59.01376	85.4
61.98829	8.4
67.01891	2.8
69.03449	26.3
70.71107	3.4
71.01376	11.8
81.03444	2.6
82.81422	2.0
82.95367	1.5
83.01378	5.9
85.02933	6.8
89.02431	13.2
97.02923	2.8
101.02438	7.1
109.02936	13.1
111.00894	11.2
112.01657	35.8
113.02453	29.8
113.03566	2.6
117.96708	1.6
119.03469	6.0
120.99654	15.1
121.02928	2.3
123.04500	9.5
125.02442	18.8
131.04596	5.2
133.03957	2.9
137.02438	17.9
139.03957	2.6
145.06206	4.9
149.02448	2.5
151.03981	9.6
153.01820	3.2
157.01404	31.9
161.04486	3.3
161.05986	2.6
163.04050	8.4
164.98663	6.2
179.00410	1.9
179.05591	12.3
191.03430	2.3
192.99689	2.2
203.07164	1.8
205.04982	3.7
206.99742	20.9
211.02853	1.8
220.97629	3.3
221.01324	1.7
221.98483	3.8
229.08551	2.5
237.00798	4.9
238.98679	2.6
244.06615	3.0
249.00751	26.8
259.02835	3.5
261.12421	2.6
271.09570	2.1
277.00275	1.9
277.03906	3.8
279.01825	2.5
280.99670	1.8
283.02893	6.7
285.00784	3.7
289.07181	3.9
299.02258	2.5
301.03860	9.4
303.01544	2.9
315.08743	41.7
325.03937	1.8
327.01855	14.2
343.04883	6.7
345.02911	5.6
359.00650	4.6
369.02780	4.2
387.03943	100.0
387.11929	3.7
388.04153	7.4
409.24115	2.3
429.18027	4.3
447.18503	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.8
59.01371	2.6
61.32103	1.4
69.03458	17.9
71.01383	5.1
81.03439	1.6
83.01387	9.7
85.02948	4.7
93.03425	2.0
96.95998	2.0
97.02942	1.7
98.22629	3.1
101.02438	1.5
101.06670	1.5
109.02940	5.4
111.00865	9.4
112.01659	24.6
113.02446	15.5
115.03999	2.5
121.02974	2.2
123.04499	2.3
125.02438	22.5
137.02414	16.7
139.04013	2.3
142.96043	1.6
149.02408	1.4
151.03983	1.8
157.01418	19.4
164.01125	1.7
164.98743	5.0
177.01796	1.6
179.03432	1.7
179.97411	2.1
191.05547	4.4
204.98091	2.3
206.99734	17.8
210.99310	1.6
220.97633	1.7
221.01338	2.2
221.98459	3.4
237.00804	4.9
238.98694	2.5
249.00807	24.7
253.00172	1.9
259.02826	5.0
261.00809	3.0
277.00424	2.6
277.03915	5.0
279.01907	2.5
283.02899	7.1
285.00854	2.8
289.07025	1.8
293.08719	1.7
299.02335	1.6
301.03897	13.5
303.01959	3.3
315.08759	6.5
319.04959	1.6
327.01868	13.9
343.04996	11.5
345.02905	7.8
359.00751	6.0
369.02786	6.6
387.03952	100.0
388.04202	5.3
428.20535	2.5
430.21835	3.2
446.88809	1.7
448.23026	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67429	0.6
59.01377	14.5
59.58043	0.6
61.98826	1.9
71.01387	1.8
73.02956	1.0
75.18790	0.5
85.02931	0.8
93.03486	0.7
98.21857	1.0
101.02423	0.7
110.05828	0.6
112.86765	0.5
113.02473	1.7
146.06148	0.8
147.04601	0.7
151.00340	3.3
153.01904	1.0
178.99841	0.8
185.06050	0.6
191.05605	1.9
199.03998	3.3
215.03476	3.6
226.02711	0.9
227.03482	9.8
242.02196	6.2
243.02962	33.8
244.03351	1.6
255.02971	12.1
256.03522	1.9
257.04523	9.3
258.05099	0.9
270.01706	8.1
271.02457	37.0
272.02875	2.7
284.03296	8.1
285.04022	29.4
286.04755	6.9
299.01953	5.8
300.02725	15.6
300.05261	0.4
301.03436	4.1
314.04303	44.4
315.04880	7.9
357.06226	1.0
429.08234	2.7
447.09290	100.0
448.09656	7.3
448.19348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72022	0.6
59.01377	5.9
61.98808	0.9
65.00349	0.6
69.22720	2.5
69.23129	1.2
74.02443	0.7
78.21816	0.6
87.00912	1.0
95.44505	0.6
107.01330	0.7
113.02467	0.7
116.92806	0.8
125.02444	1.0
146.63152	0.6
148.48784	0.8
151.00352	2.6
178.99860	1.1
183.04530	1.6
187.04045	0.9
191.05649	1.9
211.03981	0.8
213.05560	0.9
227.03476	61.8
228.03743	3.4
229.04970	1.5
229.89574	0.7
255.02957	79.9
256.03574	10.7
257.04498	1.4
284.03241	65.6
285.03967	24.6
286.04291	1.6
327.04999	1.2
391.56125	0.7
447.09283	100.0
447.26062	2.0
448.09558	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64147	0.4
59.01377	6.3
60.64825	0.4
65.00320	0.7
69.64336	0.7
69.64690	1.5
85.02947	0.9
89.02442	1.1
89.42841	0.4
90.14471	0.6
93.03471	1.0
101.02446	0.5
107.01360	1.2
113.02470	1.0
124.18536	0.5
125.02412	0.5
128.69968	0.4
135.00847	0.7
138.91151	0.5
145.37990	0.4
151.00362	2.3
152.98862	0.4
154.15997	0.5
156.55615	0.5
159.04510	0.5
169.37866	0.6
171.04457	0.6
173.04550	0.5
174.03116	0.5
175.03923	0.5
178.99864	0.6
179.10806	0.6
183.04506	1.5
185.06039	1.1
187.04021	1.1
191.05598	2.6
211.04044	1.4
213.05673	0.7
227.03485	75.2
228.03879	3.7
229.05002	1.4
229.08682	0.9
239.03447	0.8
240.04182	0.8
243.02913	0.6
255.02966	100.0
256.03616	12.3
257.04419	1.4
284.03247	89.4
285.03958	23.8
285.07294	0.5
286.04337	1.5
327.05115	1.3
447.09283	98.0
448.09634	7.4
462.98837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
59.01380	8.1
61.98825	1.4
63.02410	0.7
65.00336	0.6
69.46575	1.0
73.02941	0.5
81.03455	15.2
83.01385	0.6
84.27251	0.2
85.02981	0.3
85.83234	0.3
87.00880	0.3
89.02447	0.9
93.03477	0.4
93.07109	0.5
95.05033	1.2
101.02438	0.7
104.69653	0.3
107.01410	1.3
107.05036	0.4
109.02951	0.4
115.05541	0.3
121.02898	0.2
122.03746	0.6
123.04546	0.5
132.02164	0.3
133.02942	2.2
134.03737	0.4
136.05307	0.4
137.06081	100.0
138.06441	2.4
143.51102	0.3
148.01640	0.3
149.02435	0.9
151.00354	2.5
151.04016	0.5
157.06580	0.3
161.04663	0.4
161.06085	1.2
173.04634	0.3
175.03973	0.9
179.06984	0.2
183.04550	0.3
199.04042	0.8
200.04782	0.4
211.04037	0.7
213.09178	5.3
217.04985	0.5
225.09242	0.5
227.03401	0.5
241.05054	0.5
241.08655	0.3
243.10236	30.9
244.10446	1.5
253.08632	0.7
255.02962	0.6
256.03787	2.0
257.04327	0.4
265.72449	0.3
269.08087	0.5
283.02588	0.3
284.03259	32.0
285.04022	55.3
286.01285	0.5
286.04324	3.1
312.26498	0.3
327.05011	0.8
387.14587	0.9
387.20279	1.1
392.28168	0.3
447.09299	44.2
448.09708	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09151	0.4
59.01368	1.4
70.01933	1.4
98.22482	0.5
107.01361	1.3
108.02185	0.6
109.02971	0.5
125.02502	0.7
148.01630	0.7
151.00357	3.9
155.04962	0.5
163.00252	0.9
164.01129	0.7
171.04535	0.6
175.03978	0.5
178.99898	0.6
191.05637	0.5
199.04024	4.5
201.01910	1.6
203.03479	0.9
213.60690	0.5
214.52837	0.5
215.03488	4.3
225.01953	0.8
226.02718	1.5
227.03502	6.1
228.03749	0.5
229.01396	0.8
242.02185	10.7
243.02960	51.8
244.03270	2.4
255.02966	5.3
255.34293	0.5
256.03644	0.6
257.04544	13.6
258.05142	0.7
270.01678	12.6
271.02457	62.2
272.02869	4.0
284.03268	0.9
285.04013	28.6
286.04694	7.9
287.05243	0.5
299.01950	8.8
299.99237	0.7
300.02722	22.0
301.03409	5.8
314.04297	59.4
315.04910	7.2
327.57523	0.5
357.05978	0.8
373.43384	0.5
392.12640	0.5
406.27670	0.4
447.09286	100.0
448.09592	8.8
461.06949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70448	0.7
52.56651	0.7
59.01382	4.9
61.98816	1.9
68.99818	5.1
70.13428	0.6
70.97495	0.7
71.01380	1.5
73.02943	1.0
73.04093	0.9
74.02480	1.1
92.91115	0.7
93.03444	1.5
95.01387	0.8
96.96049	0.8
101.02424	0.8
109.02972	1.1
113.02449	1.3
121.02944	3.9
123.00901	4.2
124.01665	1.0
125.02433	2.3
130.08749	2.0
134.03801	1.0
135.04514	3.5
137.02412	1.4
137.06084	0.6
138.03217	10.2
140.44572	0.6
145.60194	0.8
149.01250	1.0
149.02437	16.1
152.01154	3.4
153.01994	0.7
153.05554	11.9
160.06137	0.8
160.96904	1.2
162.03209	1.4
163.00359	0.9
163.04010	6.4
164.04784	17.8
165.01903	3.9
165.05536	1.2
165.43774	0.8
168.04276	2.2
169.05034	1.0
175.00401	3.1
176.01129	3.1
177.01903	2.2
177.05650	1.1
178.02765	1.2
179.07124	5.3
180.04282	1.4
191.03702	3.2
191.05339	3.2
192.04274	4.7
193.01416	22.8
193.05061	1.6
194.01831	1.0
205.05206	0.9
207.06644	5.7
208.03760	45.9
209.04195	1.5
222.05367	2.3
223.06114	100.0
224.06624	5.8
227.03427	1.1
255.02902	1.2
255.06595	1.8
269.13773	0.7
271.02328	0.8
272.27649	0.6
274.15930	0.8
284.03397	0.8
285.03894	1.7
292.59131	0.6
295.02563	1.2
300.02884	0.9
358.10544	1.1
373.12946	6.1
403.13751	4.7
411.20456	0.7
447.08038	1.5
447.12891	2.6
447.20651	1.3
447.26166	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	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.3
59.19032	0.2
61.98818	0.3
62.96404	1.2
70.96123	0.3
78.95898	35.8
96.96975	2.2
140.44923	0.2
140.90215	0.2
143.46562	0.2
149.00081	18.1
155.14682	0.2
158.92520	1.8
179.01128	2.7
205.15881	1.5
240.96867	0.2
267.11664	0.3
288.03528	0.3
347.08240	0.5
417.12585	0.6
425.29175	0.2
431.10226	2.7
447.13388	100.0
448.13712	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	447.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50363	0.5
55.01882	2.0
57.03450	0.8
58.00601	1.7
59.01377	85.4
60.01712	0.8
61.98901	0.6
69.03452	7.5
69.94363	0.8
69.94692	1.2
71.01379	75.7
72.99306	1.5
73.02940	11.3
75.00861	3.1
75.17306	0.7
79.01917	0.8
81.03441	3.7
83.01380	5.8
85.02947	8.1
87.00880	2.7
89.02441	100.0
90.02795	0.7
95.01370	3.2
97.02953	14.1
99.00883	16.4
99.04507	2.3
101.02432	17.9
109.02955	2.0
111.00877	2.5
113.02452	8.7
115.04021	9.2
119.03490	2.7
122.99977	1.1
123.00878	25.1
125.02447	42.4
127.03997	1.7
131.03487	12.7
138.03226	29.3
139.03610	1.0
143.03531	4.5
149.04550	15.0
153.01936	2.2
153.05580	5.0
161.04564	3.9
167.01714	0.7
173.04510	1.0
191.05617	9.6
191.07260	0.9
197.02693	1.0
233.06660	41.5
293.08789	41.4
294.08939	1.4
309.02957	0.6
447.04279	0.7
447.10355	1.3
447.29376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69134	0.4
55.01876	1.4
57.03453	0.6
58.00596	1.5
59.01376	83.7
67.01908	0.7
69.03449	7.4
69.58397	1.6
71.01379	73.2
72.01737	1.1
72.99318	1.2
73.02949	11.7
74.02451	0.6
75.00866	3.4
77.01844	0.4
79.01891	0.8
81.03455	4.9
83.01393	4.9
83.05009	0.5
85.02943	9.7
85.55923	0.4
87.00875	1.7
89.02441	100.0
90.02784	1.6
95.01396	3.3
97.02946	13.5
99.00872	16.6
99.04487	2.2
101.02438	14.8
107.01389	0.5
109.02927	0.9
111.00883	2.0
113.02446	8.0
115.04015	7.1
117.01977	0.5
119.03475	2.2
123.00887	27.0
125.02445	46.6
125.95839	0.4
126.02796	1.4
127.04009	1.4
131.03503	11.8
134.03683	0.5
138.03223	28.0
138.86357	0.4
143.03496	4.3
149.04552	13.6
150.04843	0.5
153.01904	1.4
153.04410	0.7
153.05562	6.4
159.02975	0.5
161.04533	3.9
165.17734	0.5
173.04564	1.2
191.05602	9.8
193.05043	0.9
197.02690	1.1
197.70110	0.4
215.05544	0.7
233.06650	40.8
234.06911	1.3
240.64276	0.5
282.52975	0.5
293.08777	41.6
294.09052	1.6
312.87762	0.4
359.07538	0.5
368.31415	0.4
403.19785	0.7
447.09848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.7
61.98835	0.8
69.30370	1.4
71.01379	3.6
73.02959	0.9
80.29832	0.3
83.01404	0.3
83.05004	0.4
85.02974	0.9
89.02438	3.3
90.19601	0.3
90.84261	0.3
95.01427	0.6
98.21928	0.4
101.02431	3.0
113.02457	1.6
119.03520	1.2
125.02480	0.3
131.07132	0.7
137.99600	0.4
138.03236	2.1
143.03445	0.3
153.01932	7.9
153.05576	1.0
161.04594	0.9
168.04268	9.1
168.05673	0.5
179.05638	0.5
183.06622	9.8
191.05560	0.4
207.13870	0.3
225.15117	0.3
243.10298	0.3
293.09109	0.4
293.12491	0.5
299.09329	0.4
387.20151	4.4
388.20972	0.4
403.19843	0.9
404.20370	0.3
447.10092	0.5
447.18665	9.6
448.19351	0.8
472.49963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34448	0.4
59.01378	100.0
60.01714	0.7
61.98827	1.8
67.01900	0.5
68.99815	2.3
69.03459	1.2
71.01379	15.0
71.22253	0.5
72.99315	1.2
73.02946	1.4
83.01389	0.8
84.13294	0.5
85.02959	2.6
87.00861	1.1
89.02440	24.0
93.03443	0.6
95.01396	3.8
101.02441	15.5
101.03102	0.8
112.01688	0.6
113.02450	8.2
119.03507	8.9
121.03014	0.5
123.04523	8.1
127.04014	1.3
131.03516	1.1
143.03516	2.0
149.04579	0.7
152.07352	0.5
153.09256	0.6
155.03500	12.3
155.04684	0.7
161.04539	3.5
161.61836	0.4
175.03998	0.6
179.05577	6.1
181.05122	0.8
191.05600	3.0
225.07669	3.1
225.15024	1.3
229.08752	1.4
243.64087	0.5
255.06708	0.7
343.27756	0.4
387.20306	3.4
447.17892	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
56.94103	0.2
59.01379	9.0
61.98815	0.8
65.00324	0.5
71.01389	1.1
73.02960	0.5
81.03455	16.6
83.01389	0.5
85.02959	0.6
85.45113	0.3
87.00870	0.3
89.02445	1.0
93.07127	0.5
95.05037	0.9
101.02425	0.5
107.01402	0.7
107.05029	0.7
113.02481	0.5
119.03497	0.6
121.02977	0.3
122.03696	0.5
123.04510	0.5
133.02960	1.4
134.06068	0.3
136.05354	0.3
137.06082	100.0
138.06444	2.8
146.03810	0.3
151.00378	1.1
155.00127	0.3
157.06592	1.0
161.04626	0.5
161.06099	1.0
175.03947	0.3
191.05614	0.5
199.03972	0.7
203.07166	0.4
213.09213	6.3
217.05125	0.3
227.03510	0.6
229.08430	0.4
229.89305	0.3
243.10248	31.9
244.10629	1.7
256.03754	0.9
267.10275	0.3
284.03253	15.6
285.04025	29.9
285.10992	0.8
286.04385	1.0
301.70102	0.3
327.05151	0.3
387.14404	0.8
387.19760	0.5
404.20483	0.3
447.09274	21.6
447.17996	1.2
448.04095	0.3
448.09518	1.8
448.19632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13642	0.4
55.99579	0.4
57.28106	0.4
57.57007	0.4
59.01376	2.9
59.37732	0.4
61.74255	0.4
61.98831	3.0
63.75102	0.6
70.44220	0.6
70.44528	0.7
71.01373	0.6
72.99300	0.4
82.57912	0.4
86.06566	0.4
89.02419	0.5
92.46426	0.4
93.03461	1.9
106.04259	4.3
112.69997	0.4
122.03735	19.9
136.05313	0.7
137.02457	1.3
137.06081	40.4
138.06422	1.0
154.02750	0.5
226.05884	0.6
243.10240	100.0
244.10597	6.1
258.03528	1.1
259.03806	1.5
273.05884	1.8
274.06204	3.6
285.11246	0.7
327.21783	0.8
387.14328	1.5
401.91534	0.4
447.16647	1.1
447.22241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27070	0.3
57.40105	0.4
59.01376	1.7
61.98823	1.2
62.14676	0.3
65.65305	0.3
71.01376	0.4
81.53995	0.3
93.03468	1.9
106.04245	3.9
108.02196	0.7
119.76862	0.3
122.03741	18.5
123.04014	0.4
136.05315	0.3
137.02473	0.8
137.06088	41.4
138.06418	0.9
161.02382	0.4
177.36342	0.4
220.55183	0.3
224.08459	0.6
227.07138	0.4
243.10249	100.0
244.10606	5.4
252.07861	0.5
267.10236	0.8
285.11154	0.8
326.13235	0.3
343.23004	0.3
387.14481	1.1
405.15509	0.6
447.10239	0.3
447.16525	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	447.1661
Annotation	2,3,4,5,2',3',4',6'-Octamethoxychalcone
Peak:m/z	Relative Intensity
55.01877	0.6
57.03443	1.0
59.01382	6.1
59.71572	0.3
64.01797	0.4
67.22472	0.3
69.03467	0.5
69.32364	0.3
69.96300	0.7
71.01379	1.3
79.01885	0.6
81.03452	1.2
83.05028	3.8
83.75344	0.3
85.02921	0.5
89.02435	1.0
91.05520	1.0
94.04255	0.6
95.05027	5.8
97.02963	3.4
101.02416	0.9
107.05032	1.7
109.02999	0.4
109.06593	3.7
111.04522	0.9
119.05025	1.0
121.02965	1.1
121.06571	0.7
122.03723	1.6
123.04514	1.1
123.07346	0.6
123.08166	7.5
125.06080	1.5
127.04083	0.5
127.07641	0.6
131.05038	1.6
133.06609	2.2
135.04514	2.8
136.05295	1.4
137.06108	0.9
138.03224	1.6
139.04004	2.8
139.07642	2.7
145.06599	0.5
147.08139	1.0
149.06088	6.1
150.06732	0.4
151.07646	11.1
152.04814	1.3
153.05565	2.9
156.05838	1.1
157.06570	0.5
161.09712	0.7
163.07692	0.6
164.29564	0.3
165.05719	0.4
173.06068	6.6
177.05585	1.3
179.03525	1.3
179.07178	0.5
180.04285	3.7
181.08655	1.0
181.10219	0.4
185.09721	8.0
192.07881	1.0
193.08739	0.8
195.06639	2.6
203.10793	1.4
211.11319	0.3
223.11267	0.9
225.09222	1.7
226.09924	1.9
227.10774	1.5
229.08777	2.2
239.10782	1.6
241.12376	0.8
247.11229	0.4
254.09460	2.0
255.13963	4.4
265.12329	2.8
269.11774	0.6
283.13385	7.4
284.13705	0.8
285.11310	0.9
285.14841	0.4
297.09833	0.8
315.10843	10.1
316.11316	0.4
327.12390	1.6
338.08444	0.4
432.15594	0.4
447.16592	100.0
448.16968	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	447.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98828	14.5
69.31899	0.3
69.32295	0.5
69.34164	0.2
71.01383	0.7
73.02946	0.4
85.02939	0.3
89.02451	0.2
91.05534	0.2
101.02452	0.5
109.02919	0.2
111.04518	0.2
113.02471	0.4
120.01264	0.5
122.03745	1.4
123.04515	2.9
124.05300	0.7
125.02338	0.2
135.04451	0.2
137.02458	0.6
138.03227	2.6
139.03964	0.4
150.03185	0.5
151.04007	10.2
152.04788	25.5
153.05148	0.8
154.02670	0.2
155.03395	0.2
156.04251	0.2
161.04503	0.2
166.02704	2.3
167.03465	0.7
194.61382	0.2
201.11285	0.3
210.06895	0.2
213.09300	0.4
219.05997	0.2
225.09251	1.0
228.07977	0.4
240.08008	0.3
241.08665	2.2
242.09373	1.4
243.10240	100.0
244.10567	5.1
255.10326	0.2
264.28546	0.2
265.87283	0.2
267.10379	0.3
269.10837	0.3
282.12079	0.2
285.11234	0.3
315.18091	0.3
327.21677	1.2
387.14392	1.2
405.15417	0.8
447.16553	8.5
447.22018	0.6
448.16797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
58.16094	0.3
59.01378	13.1
59.91507	0.3
61.98829	7.4
61.99325	0.3
69.05659	2.2
71.01374	5.0
73.02945	4.0
81.03454	19.2
83.01396	1.3
85.02959	1.4
87.00863	1.0
89.02421	2.3
93.03442	1.8
95.05042	0.9
97.02904	0.5
98.21896	1.0
101.02441	4.0
101.51136	0.3
106.04192	0.4
113.02441	1.3
114.23772	0.3
119.03480	1.1
121.02964	0.4
122.03791	0.4
123.04560	0.5
128.30151	0.4
130.08762	1.0
130.27415	0.3
133.02930	1.5
134.03755	0.4
135.04558	0.6
136.05438	0.4
137.06082	100.0
138.06430	2.7
143.03534	0.6
143.11987	0.6
147.04509	0.4
148.07187	0.3
148.52827	0.3
149.02393	0.5
149.06097	0.9
150.03235	0.7
151.04027	0.7
155.03552	0.5
160.01733	0.5
161.02451	4.5
161.04498	0.4
164.04771	0.6
164.07146	0.4
165.05557	2.0
169.09946	0.3
171.60667	0.4
173.04572	1.2
175.03975	0.5
181.05125	0.4
181.10231	1.0
191.05542	0.4
195.06638	0.5
197.09723	1.3
203.10826	0.5
225.09190	13.6
226.09544	0.7
227.10759	1.2
229.08806	0.4
241.08691	1.2
242.09198	0.3
243.10251	89.2
244.10568	5.0
253.08611	2.6
254.05870	1.4
267.10214	0.5
268.07266	0.4
269.08185	5.8
270.08862	1.4
284.10504	0.7
285.11261	3.8
321.13467	0.6
366.19626	0.4
387.14423	3.2
388.14612	0.4
405.15390	1.5
409.14920	2.6
411.16153	1.6
432.14185	0.6
447.10757	0.5
447.16678	6.4
447.21094	0.3
447.26492	3.2
448.16873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12562	0.3
59.01378	8.7
59.74600	0.3
60.57841	0.3
61.98809	0.6
62.01209	0.4
64.04745	0.3
69.68964	1.3
70.63645	0.4
71.01379	1.0
73.02920	0.4
85.02940	0.7
87.00871	0.4
89.02462	0.5
93.03468	1.0
98.22527	0.4
101.02436	0.6
109.02944	7.1
137.02438	51.5
138.02748	0.8
142.04253	0.3
161.04503	0.4
173.04617	0.6
191.05615	2.1
192.22336	0.3
199.07629	0.4
203.67450	0.3
216.75912	0.3
222.22678	0.3
227.03407	0.4
227.07166	1.2
228.07904	100.0
229.08215	5.9
236.97118	0.4
243.10234	86.2
244.10580	4.0
255.02992	0.8
284.03400	0.6
405.15674	0.5
447.09961	1.0
447.16571	6.2
447.25809	0.9
447.51117	0.4
448.17389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93262	10.7
54.37865	10.3
59.01387	63.2
61.98811	23.7
69.38888	10.9
69.39185	55.1
71.01369	19.2
85.02941	17.4
87.00842	14.3
96.96019	17.5
97.02947	100.0
98.22655	15.3
113.49547	10.1
113.75275	10.6
121.02943	36.2
127.75928	10.6
134.03690	11.8
139.03918	11.1
153.05524	38.1
155.06557	11.8
165.05502	10.8
165.76089	11.5
197.04568	57.0
205.59497	12.8
215.62833	13.5
240.82816	11.2
249.06137	42.4
294.74335	12.9
404.20578	53.8
447.11487	65.5
448.19370	11.3
464.08487	14.5
472.39182	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	447.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74234	1.8
58.51810	1.8
59.01378	100.0
59.85090	2.1
61.98834	21.9
69.24913	1.6
71.01366	8.2
73.02948	2.6
85.02947	2.9
87.00874	2.4
89.02442	8.2
97.02954	2.1
97.75232	1.9
100.22263	2.1
101.02430	5.0
101.06077	7.2
113.02441	5.1
114.05582	2.0
119.03467	3.2
119.98467	2.0
123.04514	2.6
127.04041	2.0
139.09106	1.9
153.01942	5.2
161.04633	2.3
168.04231	4.9
179.05659	2.4
183.06624	5.6
191.05634	2.1
277.92514	2.3
313.27051	2.0
349.02518	1.9
365.14667	2.4
387.20535	2.7
404.20648	6.1
409.24023	4.0
411.16412	6.6
447.10022	2.2
447.22589	2.7
448.19785	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
57.90822	0.4
59.01378	100.0
60.01714	0.7
60.54495	0.3
63.99753	0.4
69.13346	2.7
69.77790	0.4
71.01382	8.3
73.02943	1.1
80.72750	0.4
83.01388	0.6
85.02945	2.9
87.00851	1.1
89.02440	14.3
93.03425	0.6
96.96020	0.8
98.22716	0.8
101.02444	5.6
105.38303	0.4
113.02461	5.5
119.03503	6.1
131.03513	1.1
139.04012	0.4
143.03471	2.0
151.00394	0.8
161.04536	2.3
162.98289	0.4
165.41339	0.3
173.04538	0.4
179.05611	6.3
181.12309	0.6
191.05644	4.4
211.04002	0.6
214.06250	0.5
225.07523	0.3
227.03496	16.7
228.03903	0.7
229.04886	0.7
229.08722	0.8
248.99174	0.4
255.02971	22.6
255.06860	0.9
256.03586	2.7
273.07843	0.6
284.03253	20.9
285.03940	6.1
327.05023	0.6
387.20163	2.1
447.09247	27.8
447.21436	2.1
448.09436	2.6
455.83917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01877	3.8
55.09912	0.2
57.03447	3.8
58.00594	0.4
59.01379	35.8
60.01705	0.3
61.56357	0.2
61.98830	0.2
69.03459	1.2
69.24574	0.7
69.24979	0.4
71.01381	57.9
72.01717	0.6
72.99306	0.9
73.02946	24.9
74.03288	0.3
74.61003	0.2
75.00871	1.4
81.03457	0.7
83.01389	8.0
84.02170	0.4
85.02951	25.6
86.00119	0.5
86.03281	0.5
87.00877	2.6
89.02445	18.6
95.01390	3.8
97.02949	2.4
99.00884	8.7
99.04513	0.3
101.02445	37.6
102.02783	0.3
111.00887	0.6
113.02452	22.0
114.02799	0.5
115.04015	1.1
117.62025	0.2
119.03512	3.4
123.04528	0.3
125.02446	3.1
127.03968	0.2
129.01958	0.9
131.03520	3.1
141.01942	0.2
141.59230	0.2
143.03525	2.1
149.04561	3.0
156.35921	0.2
159.02992	4.2
161.04561	26.3
162.04880	0.5
179.05630	0.5
191.05583	0.8
225.09380	0.2
233.06609	1.7
275.07855	0.2
293.08820	0.5
315.18103	37.8
316.18427	2.6
357.19278	0.2
359.17554	0.3
447.22330	100.0
448.22656	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	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11350	0.3
55.71157	0.3
59.01359	0.4
70.64494	0.6
78.95905	4.0
91.24707	0.3
103.27912	0.3
110.98515	3.5
167.01137	1.5
185.02216	3.5
192.32961	0.3
261.22134	0.4
279.23273	100.0
280.23599	6.5
360.77121	0.3
447.25165	8.4
448.25287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
61.98826	0.9
78.95892	4.2
80.45453	0.8
91.35567	0.7
110.98548	3.1
117.23514	0.8
124.65622	0.8
140.72636	0.9
147.40205	0.8
156.93805	0.8
185.02211	3.8
187.44252	0.8
200.66562	0.8
253.62682	0.8
255.02985	1.6
277.04153	0.7
279.23270	100.0
280.23706	7.1
284.03336	1.1
285.03845	1.3
325.30191	0.9
344.64447	1.0
447.09341	2.7
447.25266	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	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32330	0.3
59.01360	0.4
70.94184	0.6
73.31743	0.3
77.78688	0.3
78.95906	5.1
110.16563	0.3
110.98547	3.6
131.22142	0.3
137.63504	0.3
155.88582	0.3
167.01143	1.5
173.84555	0.4
185.02209	3.4
231.87949	0.3
279.23291	100.0
280.23627	6.5
298.38107	0.3
447.25140	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	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
69.25829	0.6
69.26189	1.6
70.21283	0.3
74.99456	0.3
78.95898	6.6
98.22591	0.5
104.51620	0.3
107.18684	0.3
110.98531	5.1
137.00148	0.3
167.01158	3.6
185.02179	4.1
189.99358	0.3
191.35510	0.3
261.21860	0.4
272.32199	0.4
279.23276	100.0
280.23599	5.8
447.25113	11.3
448.25275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98829	100.0
63.22021	0.2
65.01054	0.2
68.61689	0.2
70.73318	0.4
71.01401	0.6
73.02959	0.6
79.55441	0.2
87.00839	0.2
89.02445	0.3
93.03468	0.4
101.02421	0.3
113.09739	0.5
120.01234	2.3
122.03769	0.4
123.04559	0.5
125.09715	0.4
138.03221	0.8
139.03915	0.3
151.04021	2.6
152.04802	6.8
153.05127	2.9
161.02449	0.4
161.04536	0.3
166.02713	0.6
173.04587	0.3
180.42468	0.2
191.03455	0.2
201.11314	1.7
213.11360	1.3
229.03371	0.3
241.08492	0.2
242.09138	0.5
243.10246	14.6
244.10580	19.4
245.11089	0.7
272.05307	0.3
287.07529	0.9
309.20721	0.4
327.21759	6.6
327.25552	0.4
366.61896	0.3
367.12296	0.3
394.75330	0.3
399.41251	0.2
404.20804	0.5
447.22452	0.4
448.16382	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	448.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98827	100.0
69.03512	0.4
69.19668	1.4
69.20070	1.0
73.02952	0.5
73.10835	0.4
77.88669	0.4
93.03490	0.5
98.22609	1.0
115.92093	0.5
120.01240	4.2
126.26342	0.4
134.03757	0.5
171.10350	0.5
173.04506	0.6
185.11900	0.7
186.90598	0.4
191.05602	0.5
201.11377	2.3
202.97067	0.4
213.11385	1.1
214.01790	0.4
244.10664	0.8
279.13443	0.4
309.20703	1.3
311.00262	0.4
327.21738	8.1
414.67932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44709	3.9
61.98826	100.0
69.32770	7.7
69.33163	11.4
78.95881	9.1
84.46314	4.0
96.96028	8.0
122.70129	4.1
123.87875	4.7
125.87351	4.9
149.06073	3.6
152.99588	19.5
160.84204	52.5
162.83905	6.1
164.83614	61.0
175.60168	3.9
195.82091	3.9
217.42731	3.9
228.00446	3.7
286.32089	3.8
419.18491	8.0
448.14258	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.9
61.98827	100.0
62.69635	0.7
67.55009	0.7
71.43460	0.6
78.95900	1.0
118.82377	0.7
122.41532	0.7
128.91339	0.6
152.99628	0.9
164.83672	2.0
306.31265	0.7
321.83481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13319	0.4
54.73404	0.4
59.01378	41.4
59.77900	0.5
60.01712	4.0
61.98828	100.0
69.23125	1.5
69.38378	0.5
71.01372	3.5
72.01723	0.6
73.02924	0.9
75.25298	0.4
80.25653	0.4
85.02956	1.1
89.02447	3.3
101.02464	1.5
113.02468	1.8
114.02724	0.4
119.03529	1.2
161.04602	2.0
164.11703	0.5
175.98514	0.4
179.05608	0.8
207.13939	0.8
208.14307	0.9
221.84567	0.5
226.15280	0.7
234.54521	0.5
267.79996	0.5
275.09219	1.1
283.02655	0.5
387.20367	1.3
388.20544	5.1
389.21231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.2
59.01377	100.0
60.01715	6.6
65.36626	4.7
67.37596	5.0
69.98277	15.7
71.01361	28.3
73.86485	4.7
85.02996	8.7
89.02435	41.8
101.02448	20.1
112.04068	9.5
113.02452	14.0
116.92844	10.1
119.03510	17.7
131.03481	5.2
136.04059	7.6
144.66403	5.2
149.09718	14.5
161.04604	8.9
167.10797	37.2
179.05640	21.1
185.18202	5.0
197.04561	17.7
225.14932	10.1
235.32103	4.9
243.16023	10.4
252.49667	4.9
405.21262	50.3
448.21851	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.1
59.01376	100.0
60.01701	5.3
61.98811	3.2
67.01881	6.8
69.03439	2.1
69.32128	3.1
69.32516	5.4
71.01382	29.9
73.02941	4.5
75.05399	1.3
85.02930	10.4
86.21836	1.5
87.00863	4.5
89.02441	27.8
93.03426	4.2
96.96000	21.8
96.96957	2.7
97.02957	1.8
98.22619	3.4
99.00833	1.9
101.02456	13.2
111.00873	2.1
112.01660	4.5
112.04034	15.3
112.57500	1.4
113.02439	14.2
114.02773	2.4
116.92814	2.0
118.96615	1.6
119.03501	13.0
125.02397	2.8
127.03999	6.7
131.03522	2.7
133.88286	1.6
136.04019	6.9
137.02484	2.0
139.03941	2.8
143.03482	8.2
149.09705	8.3
153.09236	3.3
155.03455	1.8
159.12677	1.6
161.04562	10.3
165.01837	2.5
167.10768	20.1
174.04860	1.7
179.05588	15.6
191.05661	19.5
192.06007	8.3
197.04558	13.9
221.06502	1.8
225.14987	4.5
230.09061	2.1
237.09709	2.2
243.15950	3.9
249.06059	1.8
259.01196	2.0
260.72675	1.4
273.07663	3.2
274.08017	10.8
292.15488	1.5
333.37738	1.5
334.02359	1.9
335.06522	4.0
335.13214	2.0
405.21365	26.3
448.13254	4.8
448.15570	5.0
448.21701	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	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03445	2.8
57.21365	1.4
59.01376	53.3
60.01715	1.9
61.98818	2.7
67.01888	16.0
68.99810	5.3
69.03439	2.3
70.61888	2.6
71.01376	20.6
73.02936	3.4
82.00624	1.2
83.01368	2.3
84.04533	1.4
85.02948	5.8
87.00864	3.1
89.02444	27.2
95.01390	2.6
95.05025	2.0
96.96004	4.5
96.99325	5.8
97.02980	3.9
99.04529	1.6
101.02436	17.0
108.08179	1.6
109.02975	1.8
111.00854	9.6
112.01653	3.2
113.02451	15.1
116.92866	1.7
119.03484	16.2
125.02468	6.5
127.03998	3.7
131.03522	2.2
136.04057	1.4
137.02455	4.5
137.06067	2.3
139.03993	3.2
143.03485	16.8
149.09706	4.2
155.03543	2.7
161.04561	4.4
165.01936	1.5
167.10760	12.1
173.08209	1.2
173.90549	1.3
179.05609	9.2
197.04553	5.5
207.13895	3.3
225.14949	5.6
230.08032	1.9
243.16005	2.9
246.43752	1.5
292.15616	2.7
335.13419	15.2
372.18210	1.8
387.20215	2.4
388.20407	1.8
405.21240	45.0
406.21616	2.9
416.17444	1.7
448.16071	100.0
449.16309	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	448.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40289	0.4
57.03447	0.4
59.01377	100.0
60.01715	2.0
61.98828	10.3
61.99133	0.9
69.19988	2.3
71.01393	1.7
73.02961	1.2
82.95426	0.8
85.02962	0.8
87.00914	0.8
89.02453	1.3
95.13345	0.4
97.03001	0.6
101.02464	1.8
102.56546	0.5
113.02486	1.1
123.00930	0.6
127.04078	0.8
129.05627	0.8
137.06097	2.1
138.03256	0.6
139.00345	0.5
161.04633	0.6
161.43913	0.4
165.05693	0.5
168.04315	0.8
169.04665	0.5
173.04591	0.7
184.06967	0.6
191.05663	1.9
193.05124	0.7
213.09247	1.2
243.10342	1.5
350.68265	0.5
388.21097	2.2
389.21811	0.8
401.12430	1.4
431.13843	0.6
448.18970	5.5
449.14813	1.0
449.20181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62957	0.4
57.01352	0.4
58.96463	0.4
59.01377	100.0
60.01711	0.6
60.57412	0.4
69.39242	1.9
74.67847	0.4
81.05147	0.4
93.03469	0.4
96.61159	0.4
127.78680	0.4
134.03770	0.5
173.04602	1.6
250.33067	0.5
313.33942	0.4
324.05695	0.4
388.21597	1.2
422.73572	0.4
448.19888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	4.9
61.98828	100.0
66.65264	1.5
66.82150	1.2
69.07249	3.4
69.07644	8.9
78.95886	3.6
83.51029	1.5
93.03452	5.6
152.99579	5.6
173.04517	4.3
176.52289	1.4
191.05586	2.9
194.34375	1.4
275.09256	2.6
285.03564	1.8
286.04517	2.0
419.10397	1.7
448.09769	3.3
449.14685	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	448.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33632	1.2
59.01371	4.9
61.98827	100.0
69.34524	3.5
69.34943	2.8
77.79943	1.7
78.95908	8.3
91.03848	1.2
93.03447	2.1
96.96953	1.4
98.21883	2.6
127.19814	1.1
147.89713	1.3
152.99577	18.8
173.04509	3.6
213.10187	1.4
243.25403	1.4
275.09247	1.2
314.86093	1.3
394.89725	1.3
410.50125	1.3
438.57425	1.5
448.09412	1.7
449.23123	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	448.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93050	3.7
59.01377	100.0
61.98809	10.3
74.29443	4.1
86.79028	3.9
93.03409	6.0
103.01500	86.9
106.50603	3.3
117.09689	3.4
147.13138	3.7
149.06796	3.8
173.04520	8.0
191.05617	8.2
236.76219	3.8
294.43594	3.7
419.66061	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	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.6
59.01380	8.6
61.98825	21.9
63.02362	1.7
65.00311	3.1
69.61250	5.2
71.01384	2.2
73.02940	2.2
75.84447	1.5
81.03442	3.3
82.95403	2.9
83.01382	5.5
88.85165	1.6
93.03439	3.4
97.02912	3.2
107.01362	6.9
109.02988	2.1
112.01640	2.5
113.02446	4.7
115.03999	2.1
117.03435	2.6
121.02979	1.9
123.04544	2.8
125.02444	100.0
126.02770	2.2
127.04037	3.8
133.02968	1.8
135.55376	1.4
137.02449	5.1
139.04036	3.2
147.04488	1.4
149.02473	7.9
151.00363	22.8
152.01131	6.1
152.58913	1.3
153.01970	9.7
159.02982	3.0
163.00421	1.8
167.03505	2.7
173.06082	4.5
176.01091	2.0
178.99843	15.8
179.03424	5.2
197.06105	3.3
199.03949	2.7
201.05551	4.3
215.07147	4.0
225.05585	3.8
240.25653	1.4
241.04980	2.9
243.06610	6.4
257.49670	1.4
259.06088	82.7
260.06299	3.2
269.04514	79.3
270.04849	4.1
287.05594	66.8
287.08810	3.2
288.05878	2.5
289.35974	2.2
311.05466	3.2
322.16626	6.9
342.06088	2.5
420.20160	2.3
425.28989	1.6
431.09720	1.7
432.20074	1.9
449.10852	97.9
450.11206	6.0
450.21204	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	449.1086
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.63454	1.0
57.03451	12.5
59.01373	3.7
61.98830	12.9
65.00314	1.8
69.09935	6.4
69.10321	1.9
71.01408	1.2
81.03459	3.1
83.01402	7.1
93.03459	2.3
97.02971	1.6
97.88708	1.2
107.01386	6.8
107.04990	1.8
109.02962	2.6
121.02993	1.5
124.01627	1.2
125.02446	100.0
126.02784	2.7
133.02934	2.2
137.02420	1.6
139.04063	1.8
149.02429	10.5
151.00362	22.4
152.01123	3.2
153.01924	8.5
159.02969	1.8
163.00270	1.3
167.03575	2.5
169.06615	1.8
173.06082	4.6
176.01147	1.6
177.05534	3.6
178.36266	1.4
178.99837	13.5
179.03508	5.4
180.00470	1.7
181.06540	1.5
196.05269	1.2
197.06000	1.7
201.05594	4.5
203.03546	1.5
215.07170	4.5
225.05557	4.4
241.05081	2.7
243.06668	5.8
259.06088	80.0
260.06464	4.4
269.04529	71.7
269.07468	2.6
270.04904	3.2
287.05603	63.1
288.05930	2.6
311.05524	2.2
342.05832	2.1
397.02405	1.2
431.09750	2.3
439.83640	1.4
449.10861	88.2
450.11237	5.4
450.21313	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	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17930	1.0
55.01880	1.1
57.03433	2.1
57.08915	1.2
59.01381	26.8
60.99283	1.7
61.98822	8.0
65.76908	0.9
67.01884	2.8
69.03438	2.7
71.01380	9.4
71.04993	3.8
73.02930	2.3
81.03434	2.0
83.01366	3.0
83.05008	3.8
85.02959	7.7
87.00886	5.3
87.04498	1.4
89.02437	7.4
93.03461	25.1
95.05033	1.9
97.02930	4.4
99.04491	1.2
101.02434	5.1
109.02957	13.5
111.04498	2.9
111.08147	1.3
113.02426	5.1
115.04010	43.3
119.03489	2.5
121.02931	2.7
122.03698	1.8
123.04530	9.3
123.08174	1.6
125.02405	5.1
127.03976	1.7
135.04503	1.8
137.02457	9.1
139.03995	3.3
141.09192	10.4
143.04993	2.2
147.04510	1.2
149.02426	3.5
151.04010	4.2
155.07053	1.4
158.03752	2.0
159.02995	86.6
159.04381	3.4
160.03333	1.6
160.48605	1.1
161.02391	2.9
161.04581	2.0
161.06004	2.5
162.03159	1.7
162.89258	1.5
163.03975	1.7
164.01160	2.0
165.01834	3.1
167.03542	1.0
169.08669	1.7
173.04567	10.4
173.05994	2.0
175.04031	1.5
175.07616	1.5
177.01881	2.0
179.03564	1.3
179.05545	3.8
179.07133	3.2
183.04492	1.4
185.06049	3.1
187.03911	2.1
187.07642	8.4
189.09256	1.2
189.12828	1.4
191.05621	100.0
191.07140	4.1
192.05969	2.5
201.05583	1.4
202.06345	1.6
203.03415	1.8
203.07051	4.9
203.10779	1.1
205.05118	5.3
207.13951	4.8
213.09161	3.4
217.04982	1.4
219.06564	4.8
225.05461	1.1
225.14957	5.5
227.07138	27.7
231.10191	1.8
245.08154	2.9
247.06096	1.2
251.12727	1.4
257.08136	12.4
269.13925	16.7
275.09354	4.8
275.11996	1.0
287.05569	1.6
287.14935	4.1
289.07169	16.3
299.12683	2.8
303.08694	5.4
335.13461	2.8
343.07932	1.6
343.11813	17.1
369.09784	13.2
370.10138	1.5
387.10672	4.1
389.12006	1.3
413.14194	1.2
413.27454	1.7
431.09839	1.6
449.10501	22.9
449.20114	45.5
450.11285	1.6
450.20947	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	449.1087
Annotation	Aromadendrin 3-glucoside
Peak:m/z	Relative Intensity
57.00495	1.4
57.03448	3.5
59.01376	34.7
61.98817	12.9
65.00300	2.1
67.01871	3.2
69.03443	3.3
69.60126	3.3
71.01377	17.5
71.04980	3.5
73.02942	3.7
74.75983	1.3
79.41853	1.4
81.03430	2.8
82.95409	1.5
83.01390	2.7
83.05025	2.8
85.02946	9.7
87.00865	4.8
87.04507	1.8
89.02448	17.1
92.02662	1.8
93.03451	36.9
96.40903	1.3
97.02937	5.9
99.00893	1.5
99.04515	2.5
101.02431	34.2
104.94685	1.6
107.01382	5.6
108.02174	15.2
109.02940	11.7
111.00872	1.8
111.04512	2.8
111.08135	9.8
112.01733	1.4
113.02477	9.5
115.03997	28.2
119.03484	6.9
119.05029	2.2
121.02920	2.2
122.03739	4.2
123.03885	1.3
123.04542	14.4
125.02411	6.8
125.05972	1.4
127.04005	1.8
133.02971	1.6
135.03600	2.0
135.04517	18.2
135.08026	1.7
136.01608	1.6
137.01430	2.5
137.02437	43.5
137.06097	2.3
139.03987	2.0
143.03493	2.4
145.01424	48.6
145.02641	2.7
146.03685	2.2
149.02379	3.3
149.06015	1.5
150.03200	3.9
151.00357	19.2
151.03955	5.0
152.01144	29.1
155.07106	7.2
157.06680	1.8
159.02983	70.2
160.03401	1.5
160.05255	1.7
161.04556	2.3
161.06015	2.4
162.03156	2.0
163.04005	1.9
165.01891	3.3
165.05545	4.9
167.02101	2.7
167.03474	44.3
168.03813	2.0
171.22507	1.3
171.86407	1.3
173.04552	10.4
175.00270	1.6
175.03888	2.4
175.07457	1.5
177.05530	8.2
179.03354	2.2
179.05566	12.4
179.07010	2.9
187.07610	6.4
191.05594	100.0
192.05983	1.6
195.17657	1.4
200.49808	1.4
203.03500	4.5
203.07143	3.1
204.04308	1.8
205.05016	6.5
207.06528	1.8
213.09163	4.4
215.07144	2.0
219.06619	6.1
227.07051	6.1
231.10173	3.4
257.08102	10.2
275.09210	4.7
281.06696	25.1
286.03928	2.1
287.05627	21.5
287.08902	2.5
289.07126	9.3
293.08636	2.4
296.67294	1.5
299.12839	2.3
303.08502	3.2
335.13345	2.2
343.11847	26.5
369.09750	7.9
387.10776	5.0
403.10196	1.9
413.27298	2.3
449.10663	76.2
449.20090	5.2
450.10785	6.1
450.21185	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	449.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70553	0.6
59.01376	21.1
61.98819	0.7
65.03954	2.4
69.03462	1.1
69.72330	2.0
70.79884	0.6
71.01381	9.5
76.47976	0.6
81.03451	3.1
83.01334	0.6
83.05022	8.6
85.02938	0.9
89.02438	13.1
89.88660	0.7
90.20916	0.7
93.03454	66.5
94.03778	1.1
95.01414	0.9
96.02147	0.9
96.95992	2.9
98.22578	1.2
101.02431	5.0
109.02942	1.5
111.04516	67.4
112.04855	1.6
113.02447	5.4
116.65618	0.6
116.92860	0.9
119.03507	5.2
131.03473	1.7
137.02438	65.2
138.02742	1.2
139.04015	0.9
139.84825	0.6
143.03477	1.0
149.04535	0.8
153.05539	4.9
155.03496	100.0
156.03868	2.8
161.04614	1.2
169.38092	0.7
179.05617	6.2
197.04594	0.6
209.06581	0.6
210.24556	0.7
335.09811	45.2
336.10281	2.6
449.12985	9.9
450.13232	1.1
461.78510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.2
60.99313	0.7
61.98835	0.5
67.01892	1.3
69.03483	0.5
69.26172	1.2
69.26595	1.2
71.01386	2.5
73.02940	0.9
75.00861	0.4
81.03445	0.6
83.04995	1.0
83.11253	0.4
85.02950	9.3
87.00893	3.1
89.02449	1.7
93.03455	9.6
99.04521	0.4
101.02419	0.9
105.03413	0.5
109.02991	0.9
111.04526	3.5
113.02453	1.5
119.03478	0.6
127.04025	2.2
131.03439	0.4
133.02975	0.9
134.03653	0.6
135.04530	0.8
137.02481	0.9
143.03519	0.5
155.03465	2.1
158.03769	0.5
159.04515	1.5
161.04613	0.5
171.03049	0.6
172.05328	2.4
173.04565	20.7
173.06013	1.4
174.04912	0.4
174.06842	1.1
175.07631	0.9
183.04495	0.4
187.04034	1.3
187.07651	13.9
188.08173	0.4
191.05620	100.0
192.06018	2.2
198.06735	0.4
200.04782	0.9
201.05522	1.1
202.06335	3.9
203.10738	1.6
213.09207	6.6
214.06363	0.5
215.07124	3.3
227.03546	1.2
228.04256	0.7
229.08658	1.1
231.06654	1.0
231.10265	10.7
232.10696	0.5
257.08179	13.0
258.08694	0.5
275.09244	17.6
276.09604	0.6
341.61136	0.4
343.70660	0.4
389.21744	1.4
449.14383	4.8
449.27585	0.5
450.14597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17213	1.2
57.03429	2.0
59.01122	1.4
59.01380	18.2
60.53864	1.0
60.99299	1.3
61.98823	2.0
67.01887	8.8
69.03442	3.6
69.24609	6.8
71.01375	8.1
73.02939	1.3
79.13941	1.3
81.03451	1.4
83.05013	2.8
85.02942	11.0
85.98055	1.2
87.00864	5.0
89.02427	3.7
92.47351	1.3
93.02861	2.5
93.03451	50.6
94.03791	1.2
99.04463	1.2
101.02378	2.0
103.82053	1.1
105.03438	1.6
109.02906	2.1
111.04503	9.2
113.02445	1.9
116.92908	2.1
117.03490	1.2
119.03519	1.5
127.03984	2.4
133.02919	3.6
134.03772	5.7
135.04507	3.1
137.02426	5.9
155.03493	9.2
159.04535	2.8
172.05301	15.7
173.04556	100.0
173.05927	4.3
174.04936	3.0
174.06764	2.6
175.07506	1.3
179.05663	1.5
183.04364	1.3
187.04018	3.3
187.07649	79.9
188.07980	4.2
191.05608	64.7
198.06943	2.3
201.05489	5.1
202.06366	9.0
203.10719	3.1
213.09193	20.1
215.07095	6.5
218.15271	1.1
229.08626	4.4
231.06644	43.7
231.10223	44.0
232.06883	1.5
232.10612	2.4
257.08185	15.6
275.09238	80.2
276.09467	4.1
351.79749	1.4
354.10248	1.4
449.09549	1.5
449.14590	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	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06758	1.0
50.30802	1.0
51.35515	0.9
57.03456	1.9
59.01379	6.8
60.99293	4.3
64.79079	1.0
67.01889	7.5
69.03455	2.4
69.06997	8.1
71.01395	5.3
73.02924	1.3
77.03960	1.1
81.03455	2.8
83.05025	2.4
85.02957	5.3
87.00879	8.1
89.02400	0.9
93.03455	62.0
94.03754	1.5
95.05005	1.2
97.06557	1.4
99.00904	1.7
99.04508	1.1
101.02460	1.2
105.03478	8.2
109.02997	1.2
111.04504	11.1
113.02454	1.5
116.92877	1.7
117.03476	3.2
121.02953	1.8
123.04515	1.5
127.04065	1.8
129.01926	1.6
133.02957	20.0
134.03740	45.5
135.04559	12.7
137.02423	4.8
148.05234	1.8
149.02298	1.5
155.03528	6.7
161.02402	3.5
161.04564	1.1
162.03220	13.1
165.01944	1.9
167.80731	1.0
173.04550	71.9
174.04877	1.6
174.06749	1.2
177.01953	6.8
178.02722	4.6
180.04314	1.4
187.07681	3.7
191.05602	39.0
195.06604	2.2
203.10767	4.0
223.06134	2.4
225.07510	1.2
231.10254	39.6
232.10432	1.5
257.08188	4.8
263.81827	1.2
275.09238	100.0
276.09546	4.9
398.68002	1.2
449.08658	2.1
449.14502	24.3
449.23773	1.4
450.14661	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	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.0
60.99296	0.9
61.98823	2.9
67.01883	2.3
69.03452	1.2
69.31942	2.8
71.01368	3.5
71.05070	0.8
71.27505	0.7
72.34481	0.7
73.02958	1.5
83.05018	1.6
84.66635	0.6
85.02955	9.4
87.00871	6.6
89.02442	0.9
93.02880	0.8
93.03465	16.5
99.04531	0.8
99.92566	1.8
100.93370	4.2
101.02437	1.5
108.09531	0.6
109.02976	1.6
111.04506	4.0
113.02424	1.8
115.92101	3.2
116.92860	6.8
127.03989	2.1
133.02950	1.6
134.03741	3.0
135.04521	1.4
139.03946	1.2
149.06078	0.8
155.03467	2.9
158.03786	0.9
159.04482	3.0
172.05264	4.4
173.04575	20.8
173.06056	3.1
174.06865	1.6
175.07570	1.1
187.03984	2.7
187.07640	20.6
188.08080	0.8
191.05612	100.0
192.05934	3.4
197.06088	1.0
197.44891	0.8
198.06857	1.0
200.04790	1.5
201.05582	3.9
202.06329	8.4
203.07076	0.8
203.10812	1.8
213.09180	11.9
214.09612	1.2
215.07112	7.2
216.07874	1.2
220.03038	0.8
227.03452	1.0
229.08711	2.8
231.06569	2.2
231.10252	22.0
232.10730	1.3
257.08191	13.8
275.09265	39.2
276.09564	1.8
299.02127	0.7
303.88513	0.7
359.08264	0.7
405.11984	1.0
449.08029	2.8
449.14545	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.09203	1.2
56.40601	1.4
58.32246	1.3
59.01378	2.7
61.98797	1.4
62.47211	1.4
62.96410	27.5
64.05136	1.4
66.17107	1.3
78.95905	63.4
80.97467	33.2
86.13333	1.2
93.03413	1.4
143.44759	1.3
149.00093	12.7
179.01117	1.9
185.54199	1.5
203.56650	1.3
205.15894	7.2
206.66138	1.3
217.00334	1.9
226.20628	1.3
241.77458	1.2
242.98257	3.5
277.69440	1.2
285.12424	1.9
355.16742	18.5
385.17834	23.5
386.17917	2.0
449.14984	100.0
450.15659	7.1
457.64478	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	449.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
57.03436	2.0
58.00599	0.8
59.01376	73.4
60.01702	0.9
60.99293	1.6
61.98812	3.2
65.90948	0.7
67.01888	4.9
69.03439	2.4
69.32481	1.8
69.32877	1.4
71.01377	33.5
72.99297	1.0
73.02932	2.6
80.12595	0.7
81.03444	1.0
82.95382	0.9
83.01379	2.2
83.05024	1.6
85.02947	13.5
87.00871	7.3
89.02440	49.3
90.02750	1.2
92.40940	0.7
93.03455	31.2
95.01362	2.2
97.06527	0.8
99.00863	1.0
99.04509	1.4
100.74179	0.8
101.01786	1.3
101.02433	18.5
108.02184	1.4
109.02957	1.8
111.00848	0.9
111.04510	5.2
111.08154	27.5
113.02452	17.1
113.06104	0.7
119.03488	19.6
120.03897	0.8
123.04479	2.1
127.03960	2.8
131.03485	4.7
134.03705	2.1
135.04494	2.2
137.02432	6.1
139.04010	2.1
143.03520	4.0
149.04572	1.1
152.01157	4.0
155.03519	2.7
155.07140	30.2
158.03740	1.5
159.04443	2.8
161.04562	8.6
167.03473	5.9
172.05185	1.0
173.04541	43.6
173.05940	1.8
174.06790	2.4
175.07556	2.1
179.05603	38.9
180.06007	1.4
187.07603	9.2
188.08093	0.8
191.05602	100.0
192.05946	2.0
200.04739	0.8
200.66298	0.8
202.06342	2.1
203.10826	1.8
207.13954	0.9
209.11745	1.0
213.09138	5.0
215.07114	2.7
225.14928	1.0
227.07112	1.1
227.12914	2.9
231.10262	8.5
232.10608	0.9
233.06639	2.2
257.08176	9.9
269.13989	3.3
275.09225	23.1
281.06717	3.9
287.05252	1.3
287.15033	8.8
293.08755	1.5
335.13406	4.7
335.17148	2.4
389.17908	1.5
449.10226	3.8
449.14578	4.7
449.20297	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	449.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03444	1.9
59.01377	75.0
61.98821	5.5
67.01890	5.3
69.03452	2.3
69.41123	4.0
70.03656	0.9
71.01376	35.9
73.02933	4.9
81.03462	1.0
82.95425	5.1
83.01381	2.6
83.05014	1.2
84.47781	1.0
84.95116	1.1
85.02953	11.1
87.00884	1.9
87.04558	1.4
88.18931	0.9
89.02443	37.4
93.03453	3.2
95.01389	2.1
95.05019	2.3
96.96009	26.3
96.96956	2.3
97.02953	4.2
99.00834	1.3
99.92564	4.3
100.93356	5.3
101.02437	24.9
111.00877	6.3
111.04539	2.0
112.04061	1.4
113.02447	17.1
114.17647	0.8
115.03952	0.8
115.92085	6.7
116.92081	1.7
116.92851	15.9
119.03505	14.3
121.02950	2.3
123.04465	1.2
125.02431	1.7
125.06087	1.4
127.00365	1.9
127.04059	1.1
131.03523	2.5
134.03687	0.9
135.81000	0.9
137.02449	4.8
137.06073	1.6
139.04012	18.8
143.03482	3.7
150.03180	2.1
151.84802	0.8
153.28313	0.8
155.03471	2.1
155.07140	2.6
161.04515	3.7
165.04253	0.8
165.05576	3.4
166.00949	1.1
173.04532	1.8
173.08199	3.8
179.05579	4.5
191.05580	3.4
213.95676	1.8
229.00189	2.2
231.10455	1.4
237.09818	2.5
239.50552	1.0
245.08237	2.5
259.01251	1.5
275.04453	2.5
287.18646	1.2
335.06601	3.6
335.13449	100.0
336.13596	5.0
359.04367	1.8
403.29617	1.0
406.21426	2.0
413.01752	3.4
449.03806	6.0
449.15616	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	449.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45582	0.6
55.01824	0.8
57.03365	0.9
58.00514	0.7
58.11353	0.6
59.01291	48.4
60.01647	0.6
61.98746	4.0
68.57970	0.6
69.58380	2.1
71.01288	23.2
71.01722	2.1
73.02875	1.0
83.01293	1.7
85.02941	6.4
87.00790	0.7
89.02349	24.3
89.02938	1.7
93.03365	1.0
95.01323	1.5
101.02438	14.1
111.00820	1.1
111.04472	0.6
113.02461	9.1
115.03991	0.6
119.03500	10.5
121.02882	1.1
123.04438	2.3
131.03455	0.7
133.06517	1.0
135.04544	3.4
137.02361	1.5
137.05994	1.7
143.03413	1.0
149.02341	2.0
150.06805	0.6
161.02382	1.4
161.04524	0.9
163.04021	15.8
164.04837	2.9
165.01924	8.3
165.05515	1.5
166.06273	0.6
171.08035	1.7
171.40596	0.6
173.05884	1.0
176.03978	1.2
178.06273	0.6
179.03394	1.8
179.05693	1.5
179.07106	2.4
180.04285	3.9
191.05542	1.5
193.01352	2.1
195.06590	6.1
198.06865	1.0
201.51692	0.6
208.03734	2.8
209.09698	0.8
210.05298	1.0
211.07513	0.7
213.09187	2.6
223.06096	8.1
225.07671	4.4
226.09993	16.1
227.10744	5.0
243.06636	1.2
243.10094	1.2
251.10789	7.0
253.08578	1.0
254.09476	37.6
255.09775	2.6
257.04416	1.0
269.11816	100.0
270.12140	4.9
271.06113	0.7
272.06924	1.3
286.08496	2.2
287.09192	2.6
287.12918	1.8
311.09305	2.7
312.09628	0.7
329.10272	1.9
434.15710	4.2
449.18442	28.8
449.24344	1.6
450.18991	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	449.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35453	0.6
59.01378	14.0
61.98820	2.7
70.64810	0.7
70.65144	0.7
71.01370	1.8
73.02938	0.9
89.02446	1.0
93.03457	3.3
96.50080	0.6
97.06565	0.7
101.02411	1.4
106.04249	2.8
107.05009	4.2
109.02955	1.5
111.04523	0.7
119.05029	2.3
121.02946	2.6
121.06605	10.6
122.03748	0.9
123.04543	1.8
123.08138	0.8
125.06110	4.2
133.03015	0.7
135.08154	2.0
137.06082	37.6
137.09689	1.5
137.10681	0.7
138.03247	1.4
138.06369	0.9
139.04031	1.2
139.07642	3.5
142.41553	0.5
146.16881	0.6
148.05383	0.6
149.06058	1.5
150.06842	0.9
151.03995	1.9
152.04805	1.3
153.05553	1.6
163.07651	65.1
164.04758	0.6
164.08026	2.1
165.05565	71.3
166.06355	21.4
167.07053	2.6
171.08171	0.8
179.07111	1.3
181.08679	2.1
184.05260	0.6
187.11255	2.1
191.05699	0.6
209.09811	1.0
213.09097	0.8
217.96518	0.6
222.65666	0.6
225.12877	2.4
227.10770	11.0
231.10237	1.4
236.08534	0.9
243.13962	2.1
245.11819	27.6
246.12109	1.6
251.10785	5.7
252.11263	0.8
254.09439	1.9
255.10001	1.0
256.07309	1.2
263.33334	0.6
269.11819	34.3
270.12137	1.8
271.04364	0.6
271.09796	6.8
272.10529	58.7
273.11011	4.3
287.12888	70.5
288.13287	4.6
407.17172	1.8
411.16818	1.2
434.15799	34.4
435.16046	3.3
449.18164	100.0
450.18469	8.2
456.50641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18978	0.7
54.05847	0.8
57.03441	3.2
59.01377	75.9
61.98819	1.2
66.13472	0.8
67.01871	3.4
69.39893	3.6
71.01382	15.3
73.02937	1.3
81.03447	1.6
83.05037	0.9
85.02955	8.4
87.00867	3.4
89.02444	15.2
93.03456	14.5
95.01339	1.2
95.36638	0.7
98.22586	1.7
99.00870	1.4
99.04511	7.4
101.02446	7.3
106.34650	0.9
109.02887	1.3
111.04524	3.7
113.02436	5.5
119.03494	4.9
122.63962	0.8
127.04030	1.3
133.02969	1.5
134.03766	1.6
135.04501	2.1
137.02393	1.4
143.03500	0.7
155.03470	2.9
159.04506	2.1
161.04510	1.6
165.12810	4.8
172.05264	2.0
173.04553	31.7
174.04805	1.1
174.06779	1.3
179.05501	1.1
187.07616	6.3
191.05605	61.1
202.06352	2.0
203.10754	1.8
207.13914	9.6
209.11821	24.9
213.09241	8.0
213.38429	1.1
215.07063	1.4
225.14987	6.8
231.10240	11.5
251.12833	6.7
257.08157	11.6
263.70685	0.9
269.13928	100.0
270.14227	4.3
275.09262	15.1
286.04053	1.4
287.04657	1.2
287.14865	1.8
319.51373	0.9
335.13483	1.0
391.91516	0.9
449.09988	1.7
449.14780	4.4
449.20218	68.6
450.14874	1.1
450.20633	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18978	0.7
54.05847	0.8
57.03441	3.2
59.01377	75.9
61.98819	1.2
66.13472	0.8
67.01871	3.4
69.39893	3.6
71.01382	15.3
73.02937	1.3
81.03447	1.6
83.05037	0.9
85.02955	8.4
87.00867	3.4
89.02444	15.2
93.03456	14.5
95.01339	1.2
95.36638	0.7
98.22586	1.7
99.00870	1.4
99.04511	7.4
101.02446	7.3
106.34650	0.9
109.02887	1.3
111.04524	3.7
113.02436	5.5
119.03494	4.9
122.63962	0.8
127.04030	1.3
133.02969	1.5
134.03766	1.6
135.04501	2.1
137.02393	1.4
143.03500	0.7
155.03470	2.9
159.04506	2.1
161.04510	1.6
165.12810	4.8
172.05264	2.0
173.04553	31.7
174.04805	1.1
174.06779	1.3
179.05501	1.1
187.07616	6.3
191.05605	61.1
202.06352	2.0
203.10754	1.8
207.13914	9.6
209.11821	24.9
213.09241	8.0
213.38429	1.1
215.07063	1.4
225.14987	6.8
231.10240	11.5
251.12833	6.7
257.08157	11.6
263.70685	0.9
269.13928	100.0
270.14227	4.3
275.09262	15.1
286.04053	1.4
287.04657	1.2
287.14865	1.8
319.51373	0.9
335.13483	1.0
391.91516	0.9
449.09988	1.7
449.14780	4.4
449.20218	68.6
450.14874	1.1
450.20633	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
61.98819	4.9
67.72740	1.0
76.08107	0.9
77.19884	0.9
78.95901	51.8
95.44778	1.0
96.96956	7.6
144.87265	1.9
146.12466	1.1
149.06091	2.7
150.98080	1.8
152.99585	100.0
153.99965	1.1
160.84216	15.4
161.84209	2.1
162.83908	32.6
171.00650	3.9
187.24971	1.0
239.10829	1.4
240.11522	5.0
244.58348	0.9
251.17188	1.1
379.06055	1.1
419.18561	1.4
431.18668	2.4
449.16541	2.0
449.23196	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	449.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.0
62.96412	0.3
70.71951	0.3
73.62036	0.2
74.34074	0.2
78.95904	50.9
96.96960	6.4
96.97581	0.3
112.79510	0.2
145.17421	0.2
150.98018	1.9
152.99588	100.0
153.99915	1.3
158.23215	0.2
171.00648	4.6
195.13881	0.4
256.42624	0.2
277.21634	0.3
295.22791	0.5
328.32687	0.2
449.23120	14.4
450.23328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70860	0.5
53.10787	0.5
54.10043	0.5
59.01377	100.0
59.55569	0.4
60.01729	0.9
61.98835	1.3
70.48688	0.7
71.01379	11.4
73.02947	1.4
77.61867	0.5
82.95383	0.4
83.01407	0.7
85.02963	1.9
87.00898	0.8
89.02444	14.3
96.96011	0.7
99.00890	0.5
101.02446	6.6
101.08155	0.5
113.02453	4.4
119.03478	5.5
127.04009	0.6
131.03464	0.6
137.02443	0.9
139.04001	1.4
143.03520	1.4
149.04564	0.5
150.95273	0.5
153.05569	0.5
161.04533	3.9
175.04607	0.4
179.05605	6.4
191.05722	0.6
197.04536	1.0
275.09354	1.1
335.13483	5.2
389.21817	5.6
449.19873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14678	0.8
55.01876	1.3
57.03439	1.5
59.01378	100.0
61.98830	7.3
66.15445	0.8
67.01886	2.8
69.03461	1.5
69.35228	2.2
69.35635	1.6
71.01375	18.2
72.99303	0.8
73.02938	5.3
81.03484	1.1
83.01402	1.4
83.05008	1.7
85.02953	10.8
85.17268	0.6
87.00867	4.8
89.02445	19.7
93.03461	17.5
93.93999	0.8
95.01427	1.0
95.05053	0.9
98.21861	1.4
99.00890	1.3
99.04531	1.6
101.02442	15.1
107.05042	1.1
107.46517	0.7
109.02940	1.6
111.00934	1.2
111.04515	4.6
111.08159	9.1
113.02447	12.8
113.06125	1.0
115.04002	0.9
119.03506	7.3
127.04015	1.7
129.01961	1.6
129.05594	3.0
131.03557	1.2
133.03053	0.7
137.02501	1.9
137.06091	8.3
138.03215	1.3
139.04010	6.8
143.03525	2.5
145.09337	0.8
146.03783	0.9
149.04559	1.0
151.04056	0.9
155.03540	2.6
155.07133	11.0
157.05119	0.9
158.03763	2.8
159.03036	2.6
159.04524	5.8
161.04553	11.6
161.05855	1.0
167.26625	0.7
173.04558	28.5
173.06093	3.6
173.08218	0.8
174.04970	0.8
174.06825	1.5
175.07629	1.0
179.05609	11.0
187.04016	1.8
187.07639	15.9
191.05611	66.1
192.05986	1.6
200.04706	0.8
201.04091	2.9
201.05681	0.9
202.06332	3.8
203.10860	3.9
213.09164	3.5
215.07094	1.5
216.08121	0.8
231.10257	9.9
232.10643	0.9
233.06824	0.8
243.06618	2.6
257.08209	7.5
275.09253	42.6
276.09674	2.1
287.15106	2.0
299.11420	1.4
317.16205	0.7
322.16544	1.0
335.13437	8.4
335.17120	1.0
389.21838	36.8
390.22202	2.8
401.12375	2.3
419.13400	1.0
431.13684	1.5
449.14703	12.4
449.20435	3.1
450.15472	1.2
450.21497	3.0
470.91193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20921	1.6
72.80936	0.2
78.95894	3.3
80.73936	0.3
83.82677	0.3
84.16762	0.3
98.21896	0.7
110.98523	3.6
167.01109	2.0
185.02211	3.6
281.24841	100.0
282.25186	5.6
449.26672	9.1
450.26880	0.5
466.80133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73380	0.4
55.62193	0.4
57.61028	0.4
61.15295	0.4
69.18752	0.9
69.19159	1.9
71.50937	0.4
78.95901	3.7
80.87799	0.4
100.57809	0.4
110.98521	2.8
144.64755	0.4
159.66151	0.5
160.51039	0.4
167.01164	1.4
173.65172	0.4
185.02193	3.1
281.24844	100.0
282.25211	6.5
295.04517	0.5
449.26721	7.9
450.27008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.1
70.38819	0.9
78.95900	11.5
110.98543	7.5
116.92829	1.1
167.01128	9.1
175.42870	1.0
185.02193	2.2
254.38243	0.8
281.24854	100.0
282.25201	6.1
315.81897	1.1
449.26697	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93282	0.2
61.98857	0.2
78.95898	4.3
108.54748	0.2
110.97821	0.4
110.98524	3.2
117.31133	0.2
120.01488	0.2
151.67287	0.2
152.99541	0.3
153.87329	0.2
167.01173	1.4
177.86305	0.2
185.02184	3.2
279.23370	0.3
281.24844	100.0
282.25186	6.7
296.00522	0.3
336.97186	0.3
387.40414	0.3
449.26733	8.2
450.27158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03433	0.3
59.01369	0.9
61.98822	1.0
62.85708	0.2
69.28915	0.2
69.63097	0.9
71.01382	0.4
73.02947	0.3
75.02373	0.2
78.95907	8.8
79.95738	2.5
80.01633	0.2
85.02972	0.4
89.02442	0.5
96.96013	100.0
96.96926	15.4
98.47465	0.2
111.00848	0.3
113.02441	0.3
119.19771	0.3
123.04514	0.4
125.02450	0.3
127.00372	0.6
133.10585	0.2
134.04774	0.3
137.02420	0.5
141.01981	0.3
145.05156	0.3
146.06117	7.0
190.05046	1.8
191.05609	1.2
202.01834	0.6
228.00697	3.0
246.00832	0.5
247.98833	0.4
260.06436	0.4
288.01938	0.9
289.07227	0.6
300.01971	0.5
336.13766	0.4
352.10394	2.6
356.18787	0.3
387.16681	0.6
388.21490	0.3
390.05167	2.4
418.18588	0.3
432.20288	0.5
450.11282	0.3
450.21472	1.9
451.21902	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	450.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71038	0.4
50.77850	0.5
53.06592	0.4
54.41557	0.5
57.82102	0.5
59.01377	1.8
61.98826	100.0
63.62864	0.5
67.01898	1.7
71.01380	0.9
87.00893	1.2
89.02466	0.5
93.03451	5.1
93.27419	0.5
94.03813	1.5
111.00864	2.6
111.04519	0.5
113.02428	0.7
127.00427	0.9
134.03748	1.1
136.04895	0.5
139.04045	0.9
143.03548	0.7
146.47748	0.6
146.71161	0.5
151.00832	0.5
157.98830	0.4
173.04570	3.2
174.04855	1.0
178.02773	1.1
191.05667	2.3
192.06033	1.0
193.05096	1.8
231.10263	0.6
232.10582	0.7
358.88202	0.6
387.10913	0.9
450.15106	2.3
450.21509	1.6
451.21664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27409	18.2
59.01381	100.0
61.98806	42.9
80.97457	20.4
81.38514	17.3
81.94845	20.1
143.10773	23.0
204.23801	19.5
237.93062	20.6
391.29581	41.7
400.17435	94.3
450.15100	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03444	1.1
59.01375	19.2
60.01716	2.7
61.01804	3.2
61.98825	100.0
62.02161	0.6
67.36812	0.4
68.05045	1.1
69.28778	1.8
71.01399	1.1
71.05019	2.1
73.02938	1.3
85.02969	1.3
86.33836	0.5
89.02455	0.6
101.02476	0.7
112.01675	2.9
113.02454	7.0
115.04025	1.6
119.01509	0.4
121.06599	0.7
122.09760	0.7
123.04546	0.6
127.03996	2.1
137.06081	1.1
139.03990	1.2
144.00633	0.4
148.07755	0.5
166.08742	1.3
176.74709	0.4
204.10306	1.0
206.11911	0.8
240.45003	0.5
260.16626	1.4
275.09229	0.6
276.09583	0.6
276.16107	0.6
278.17725	1.5
300.89316	0.5
302.14133	1.0
304.15659	1.4
318.17383	1.1
322.16586	8.7
390.21637	0.7
406.22046	0.5
432.20157	1.2
450.21255	14.5
451.21948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.1
60.01707	1.5
61.01804	2.3
61.38950	0.4
61.98829	100.0
63.99228	0.6
69.08898	2.1
69.09293	0.8
71.01389	1.2
73.02943	0.9
74.59943	0.5
89.02441	1.0
96.39214	0.4
98.22697	0.9
101.02457	0.6
108.16636	0.5
113.02475	1.0
127.04031	0.6
255.19083	0.5
275.09338	0.9
276.09695	1.0
322.16574	0.9
339.07666	0.5
390.22049	0.9
442.65982	0.5
450.21527	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	450.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.6
57.03443	7.2
59.01374	5.9
61.98829	27.2
65.01732	1.1
66.91280	1.0
68.05035	4.0
69.03432	1.1
69.70697	2.2
69.71055	2.0
71.01384	1.1
71.05017	11.6
73.02943	9.7
83.01387	1.9
83.05038	1.3
85.02972	7.7
87.04505	1.6
93.03488	1.5
95.05005	2.0
96.04537	1.3
97.02965	2.0
98.22571	1.5
101.02448	1.2
102.12334	0.9
107.05036	1.1
109.02957	1.9
110.06127	1.2
111.04437	1.2
112.01659	21.3
112.04038	1.1
113.02449	46.5
113.03243	2.3
115.04015	9.7
120.08224	2.0
121.06596	3.9
122.03707	1.7
122.09740	4.5
123.04508	7.0
125.02438	12.2
126.02762	2.5
127.04007	16.9
129.05600	1.1
135.04529	1.7
137.02440	2.0
137.06084	6.1
139.04002	5.7
140.01166	2.2
141.01950	6.2
144.00626	3.9
148.07657	3.4
152.00829	1.1
153.01877	1.1
155.03429	1.1
165.05531	3.2
166.08684	7.1
167.03500	2.7
170.59749	1.2
191.05617	1.1
204.10216	4.8
206.11790	2.8
216.17525	1.4
226.98874	1.0
238.44862	1.1
240.13873	1.4
250.14400	1.6
258.14804	1.8
259.06049	3.2
260.06393	4.2
260.16550	5.5
269.04550	1.2
270.04663	5.1
276.16046	2.8
278.17596	10.3
287.05594	2.2
288.06027	3.6
302.14026	8.4
304.15558	6.4
314.64850	1.1
318.17072	7.8
320.14886	2.8
322.16562	53.1
323.16827	2.9
334.16632	2.3
350.19727	2.8
356.18604	1.2
362.23239	1.2
374.19803	2.0
400.17548	1.5
406.22305	4.9
418.18658	3.2
420.20209	9.9
432.20224	6.9
436.72748	1.2
450.12106	10.3
450.21274	100.0
451.11557	1.7
451.21619	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18063	0.8
52.50558	0.6
52.93338	0.7
55.01873	8.2
57.03437	2.1
58.55111	0.9
59.01373	5.2
61.98817	2.9
69.03446	1.5
69.68636	1.7
69.68983	1.5
71.01395	1.0
71.05019	2.8
73.02957	4.6
79.01878	1.4
81.03451	1.1
84.02161	2.0
85.02962	3.7
87.00900	1.0
93.03448	2.5
95.01391	0.8
95.05004	2.2
96.02145	0.7
97.02940	1.9
98.22558	1.4
99.00854	1.1
99.56593	0.9
107.05057	0.8
109.02945	2.0
109.06608	1.0
111.00867	1.5
111.04513	1.7
112.01660	23.8
113.02458	9.9
114.02831	0.7
115.04032	4.6
120.47911	0.8
121.06576	1.4
122.03783	1.2
122.09718	1.0
123.04562	1.0
124.01668	1.7
124.98784	4.4
125.02465	5.4
126.03191	1.3
127.04009	31.3
127.04971	1.5
133.06606	1.6
137.02457	5.1
137.06046	1.5
138.03195	1.4
139.00380	7.7
139.04002	6.7
140.00209	1.2
140.01170	15.0
141.01942	36.2
142.02313	0.9
144.00639	6.7
150.03236	1.3
150.06711	0.9
150.67320	0.7
151.03989	2.3
151.07632	1.7
155.03503	13.0
165.01924	5.3
165.05591	1.4
166.08778	1.0
167.03529	1.0
182.02226	2.6
183.03027	3.6
189.09171	2.4
191.05588	3.4
191.10814	1.4
192.06000	0.9
197.04533	17.2
206.11787	1.2
224.12845	1.7
234.11295	1.6
236.12727	1.4
287.14825	1.2
288.15527	1.2
289.07401	1.0
294.17169	2.5
300.16000	0.9
302.13956	1.3
304.15237	1.2
318.17038	4.8
322.16547	15.2
332.15240	0.8
334.16870	0.8
364.17908	1.0
374.19650	2.8
390.19034	1.6
390.65823	0.7
400.17493	1.0
406.22275	3.5
418.18765	3.5
420.20148	1.3
422.21887	1.8
432.20200	4.2
450.21301	100.0
451.21686	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	450.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47060	0.6
55.01871	2.4
57.03455	4.1
59.01378	12.7
60.01724	0.6
61.98828	100.0
69.33692	2.3
69.52164	0.6
71.01381	2.6
71.05041	0.7
72.96269	0.6
73.02939	3.7
82.95419	1.5
83.01390	0.7
83.05038	0.7
85.02951	3.5
87.00880	1.2
89.02449	0.9
89.67539	0.7
93.03470	2.2
94.03751	0.6
94.58947	0.5
95.05006	0.9
96.96027	0.7
97.02950	1.3
99.04517	0.6
99.92567	5.4
100.93375	1.2
101.02450	1.4
101.06075	0.6
108.02145	0.7
109.02962	0.8
109.06598	0.9
111.04517	1.5
112.01672	5.3
113.02449	16.0
113.03241	0.9
115.04025	2.0
115.92092	1.2
116.92844	5.7
122.09729	0.9
123.04522	0.9
124.01659	2.7
125.02451	1.8
126.03369	0.6
127.04007	7.0
134.03778	1.4
134.85255	0.6
135.04378	0.6
137.02417	1.4
139.04077	0.8
141.01862	0.7
144.00644	1.2
155.03551	0.9
162.09290	0.6
166.08688	0.8
169.93156	0.6
173.04576	2.1
174.04913	1.1
191.05656	2.4
193.05063	0.7
199.94083	0.6
232.13408	0.6
249.06203	0.8
255.96735	2.1
288.16101	2.1
304.15460	0.7
318.17068	0.6
322.16519	2.7
344.18628	1.8
346.23752	0.7
376.20853	0.8
388.17346	1.3
388.21677	1.1
390.08514	0.9
390.22879	1.4
402.18893	1.0
406.22485	1.2
420.20273	35.8
421.20425	3.1
432.19901	2.9
450.02774	4.8
450.21271	27.5
451.06198	0.8
451.21707	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	450.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42388	1.0
55.01891	4.8
57.03442	1.5
59.01375	2.4
59.98520	1.3
61.98822	2.4
67.01890	74.7
69.03468	1.3
69.34503	5.0
71.01381	2.9
71.05023	1.3
73.02941	1.9
78.95889	6.1
79.95699	1.9
81.03443	1.0
83.05046	1.1
85.02938	5.5
87.00882	1.1
93.03479	1.8
95.05039	1.2
96.96009	79.8
96.96921	10.4
97.02940	2.0
99.04507	1.4
99.92599	2.1
99.99711	1.0
109.02962	1.9
109.06578	2.3
111.00880	100.0
111.04512	2.2
113.02443	1.3
114.03249	1.4
115.03996	1.9
116.92893	2.2
119.04971	1.0
121.02991	1.1
122.03751	4.2
123.04521	1.1
124.01643	1.2
125.02457	2.7
125.06069	7.9
127.00373	34.1
128.03542	2.2
133.02959	2.2
134.03764	2.2
135.04564	1.1
137.02438	3.6
137.06070	7.7
139.04019	13.1
142.05090	1.1
142.96500	1.1
143.03496	10.0
146.06113	5.5
153.01927	1.1
154.06308	6.6
154.99786	2.3
160.06155	1.5
160.95552	1.1
160.97620	1.0
165.01967	1.1
178.02698	0.9
184.97673	1.9
191.05617	24.9
202.01874	0.9
202.30887	0.9
202.98717	2.0
216.98163	2.6
228.00633	6.4
234.99202	1.8
260.97040	1.9
268.39871	0.9
278.96036	1.2
288.01877	1.6
289.02448	4.1
289.07074	4.9
302.21277	1.1
306.17084	2.8
324.18134	2.2
336.13773	1.1
346.20132	1.5
352.10486	2.1
353.08749	3.1
374.19730	1.9
389.01611	1.2
390.04904	3.7
391.03574	3.0
409.04889	1.8
418.18701	10.7
450.21426	5.6
451.05191	5.9
451.10989	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	450.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.0
57.03447	1.7
59.01377	12.9
59.98508	0.8
60.01711	0.8
61.98827	10.7
67.01888	73.8
68.02225	1.9
69.03455	2.1
69.60103	2.9
71.01371	7.0
71.05009	1.4
73.02933	1.6
84.95107	0.8
85.02941	5.0
89.02442	4.7
93.03439	1.6
93.07075	0.9
95.05023	1.2
96.96013	19.0
97.02957	2.4
98.03733	1.0
99.00869	1.1
99.04520	2.4
101.02444	3.5
107.05053	1.0
107.11732	0.8
107.26148	0.7
108.14993	0.9
109.06586	2.5
111.00879	100.0
111.04477	1.4
112.01199	1.4
113.02442	4.5
114.03217	1.3
115.03977	0.9
115.67206	0.8
115.92106	0.9
116.92876	1.1
119.03490	2.3
122.03732	6.1
123.04504	1.0
124.01744	0.8
125.06078	7.7
127.00371	33.8
135.04512	1.7
136.05316	1.5
137.06081	9.7
139.04008	14.5
139.58780	0.9
143.03508	11.7
146.76802	0.8
149.09682	0.8
151.07501	0.9
154.06303	4.5
154.99771	1.5
161.04594	1.0
179.05568	2.2
184.97694	1.5
191.05637	7.6
202.98666	1.2
216.98276	1.1
222.09816	1.1
234.99303	1.0
249.01036	1.0
261.92126	0.8
262.18063	0.9
289.02353	2.5
306.17105	3.9
324.18106	0.9
336.13766	2.1
344.62350	0.8
346.20331	2.2
353.08615	1.3
374.19611	3.0
378.22906	0.9
388.19763	1.1
405.21277	4.3
418.18668	8.1
450.16681	2.6
451.05441	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	450.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87858	0.3
61.98825	0.8
69.44757	1.3
78.95901	5.8
80.71957	0.3
96.85429	0.3
98.22609	0.7
99.28041	0.3
127.18866	0.3
134.64507	0.3
135.98904	0.3
140.01198	1.9
150.03346	0.3
152.99579	1.5
164.83638	2.1
196.03778	1.0
214.04860	2.3
253.21706	100.0
254.22028	6.0
286.11438	0.5
288.11725	0.4
422.17188	0.4
450.19913	0.6
450.26230	9.6
451.19418	0.4
451.26346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02207	0.3
59.01363	0.4
61.09688	0.3
61.58960	0.4
62.74754	0.4
67.01881	0.5
71.26357	0.5
79.57318	0.3
79.95744	2.3
85.02937	2.4
87.00899	0.5
93.03450	1.0
96.96008	100.0
98.95562	0.5
99.92580	0.5
100.93372	0.7
104.57684	0.3
109.02941	0.8
111.00856	0.4
116.92804	0.8
123.04562	0.5
125.02438	0.9
127.03999	0.6
133.02951	1.1
134.03741	0.8
135.04501	0.7
137.02420	1.3
142.96622	0.7
160.97749	0.4
161.02429	1.6
165.02028	0.4
178.02617	0.7
179.03416	0.8
184.97673	2.2
191.05603	42.6
192.05946	1.0
202.98750	1.6
203.07024	0.7
216.98170	2.3
217.29961	0.3
234.99138	2.2
245.08228	0.8
248.97328	0.5
258.99176	0.7
260.97040	1.1
289.02426	3.8
289.07111	3.6
290.07724	0.4
304.99762	0.5
353.08755	7.0
379.20129	0.3
389.01923	0.8
391.03589	1.4
409.04611	0.4
451.05460	6.6
451.10553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
75.02804	0.3
77.08470	0.3
78.95892	0.4
79.95731	2.5
85.02937	1.7
87.00863	0.6
93.03445	0.9
96.96004	100.0
98.22626	1.4
99.92583	0.6
105.03471	0.4
107.70636	0.3
109.02940	0.4
111.04520	0.4
111.21793	0.3
116.92833	0.6
125.02427	0.5
127.04050	0.5
133.02954	0.9
134.03720	0.7
134.17923	0.3
137.02454	0.4
142.96590	0.7
146.58450	0.3
160.38649	0.3
161.02415	1.1
178.02652	0.5
184.97639	1.7
191.05595	33.1
192.05956	0.9
202.98657	0.8
210.99342	0.5
216.98123	1.8
234.99232	1.3
248.97171	0.4
260.97101	0.9
277.00089	0.4
278.76941	0.3
278.96188	0.4
289.02359	2.1
289.07236	1.4
293.40021	0.3
306.07654	0.6
353.08798	6.6
354.09360	0.3
357.11356	0.3
379.07574	0.3
389.01831	0.7
391.03604	1.1
409.04465	0.5
451.05453	5.7
451.10345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04458	0.4
68.44437	0.3
69.37997	0.8
69.38406	1.3
71.01376	0.5
78.95897	0.5
79.09583	0.4
79.95750	2.0
85.02946	3.3
87.00890	0.7
93.03465	1.4
94.47576	0.4
96.96008	100.0
98.22622	0.8
98.93916	0.6
98.95486	0.3
99.92578	0.8
105.03527	0.4
109.02959	0.7
111.04464	0.3
116.92865	1.6
123.04539	0.5
125.02454	0.6
127.04076	0.7
133.02962	1.6
134.03746	1.2
135.04517	1.0
137.02429	1.4
142.96658	0.7
160.97792	0.5
161.02446	1.6
164.53441	0.4
173.04523	0.5
177.02028	0.5
178.02695	1.0
179.03526	0.8
182.99785	0.4
184.97673	3.2
185.01262	0.5
191.05602	53.8
192.05959	1.4
202.98756	3.1
203.07269	0.8
210.99211	0.8
215.95259	0.6
216.95987	0.6
216.98059	3.7
234.97168	0.7
234.99190	2.7
245.08394	0.4
248.97134	1.0
258.99127	0.5
260.97052	2.0
275.02353	0.7
277.00311	0.5
278.96002	0.7
289.02405	5.7
289.07111	2.7
304.99677	0.5
306.07333	0.9
313.00372	0.5
353.08716	8.7
354.08951	1.0
389.01694	0.8
391.03610	2.3
409.04428	1.2
451.05417	9.7
451.10361	0.9
452.06064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03436	1.7
58.00595	0.5
59.01378	35.6
60.01712	0.7
61.98829	8.2
69.03439	1.0
71.01382	11.4
71.42175	0.6
72.99303	1.5
73.02937	3.6
81.03453	0.7
83.01392	1.2
83.04990	0.4
84.93874	1.4
84.95140	0.4
85.02953	5.3
86.00105	0.4
87.00875	1.6
87.04510	0.8
89.02444	10.1
92.35577	0.4
93.03458	1.9
95.01369	0.6
96.96012	1.8
97.02994	0.6
98.95555	0.9
99.00880	1.6
99.92582	14.3
100.92666	1.0
100.93360	13.7
101.02439	8.2
101.06083	6.3
109.02951	1.5
110.95447	0.5
111.00904	0.5
111.04549	0.5
111.08125	0.4
112.01667	1.2
113.02451	17.1
115.04012	0.6
115.92078	14.5
116.92858	100.0
117.92870	3.7
119.03505	3.9
121.02959	1.0
123.04465	0.4
124.93368	0.7
125.06136	0.4
126.94975	1.1
127.00352	1.1
127.03992	1.7
128.04347	0.5
128.92883	0.6
135.04535	0.8
137.02437	3.0
139.04008	10.0
141.93687	0.5
142.94411	2.2
143.03438	1.0
149.04501	0.5
150.65965	0.4
151.07620	0.5
153.01932	3.1
153.05586	0.4
155.03520	0.6
156.95886	0.7
161.04570	3.0
167.95193	0.5
169.93073	0.5
170.93903	6.9
172.95607	0.5
173.04559	0.4
179.05634	2.5
184.95497	2.4
184.99078	0.8
187.13402	0.9
191.05627	1.6
212.94952	0.8
216.98068	1.3
217.02911	0.4
249.02821	0.4
256.93857	1.5
258.95465	0.6
259.02695	0.8
273.94250	0.6
274.08411	0.4
301.09320	2.8
306.17181	0.6
324.18057	2.2
331.17545	1.7
337.14716	0.8
344.18286	0.4
349.18597	1.3
388.16794	0.6
389.05365	1.6
391.15488	0.7
391.19745	1.3
391.23962	0.7
405.21317	4.9
406.22287	0.6
409.17154	2.3
433.04440	4.3
450.21170	1.2
451.05435	21.2
451.16861	1.1
451.21951	3.0
452.05560	1.6
452.22836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86708	0.7
57.03455	1.0
59.01380	28.0
61.98831	7.9
67.01894	3.5
68.63738	0.7
69.03458	1.6
69.57903	0.7
69.58236	2.8
71.01004	1.1
71.01383	11.2
71.05032	0.7
72.99316	1.0
73.02948	3.1
75.00855	1.0
75.11881	0.6
82.77914	0.6
82.95422	2.5
83.01393	1.2
84.93883	2.1
85.02957	4.9
86.05994	0.6
87.00883	2.6
87.04511	2.8
89.02449	9.8
93.03461	1.1
93.54099	0.7
95.01389	0.9
96.96022	2.8
97.02953	1.3
98.21828	1.1
98.95586	1.2
99.00871	1.4
99.92583	24.1
100.92673	1.5
100.93360	39.4
101.02436	6.0
101.06087	1.3
101.93385	1.4
109.02943	1.4
110.95435	0.7
111.00862	5.6
113.02447	8.2
113.06079	0.9
115.04018	1.2
115.91220	0.7
115.92078	48.3
116.92859	100.0
117.92889	4.1
118.92628	1.5
119.03503	3.4
123.04501	0.8
127.00380	1.6
128.92825	0.7
129.05597	0.6
131.03519	6.9
133.02962	1.3
134.03851	0.7
137.02429	1.0
139.04016	3.2
140.96542	1.4
141.05600	0.9
141.93616	1.1
142.94449	1.4
143.03497	1.2
153.01924	2.9
154.94434	0.8
155.03542	0.9
156.95993	1.2
157.96770	2.1
158.97545	2.4
161.04509	3.3
168.95999	2.3
170.93913	1.5
170.97527	1.6
171.10355	0.8
179.05568	2.4
183.98325	0.7
184.95425	1.6
186.97000	0.8
191.05608	1.7
196.95541	0.8
200.98712	1.1
212.94992	1.0
213.01451	0.7
213.95683	4.4
214.96548	3.9
221.06876	0.7
224.94902	0.9
226.96445	1.1
243.08794	1.1
273.00781	2.1
289.13000	0.9
289.19986	0.8
303.01660	0.8
306.07462	0.7
319.01270	0.7
320.01984	2.0
321.02710	2.7
331.14029	1.3
337.05862	0.8
337.11298	2.3
337.14886	0.9
359.13416	0.8
361.05899	10.4
362.06134	0.7
388.19971	1.2
389.05331	1.5
391.16037	2.4
405.21167	2.6
407.14517	1.1
407.19299	1.3
415.03342	21.8
416.03387	2.1
433.04407	2.7
435.27756	0.7
451.05444	44.2
451.22247	5.1
452.05661	4.3
461.70837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15244	0.4
59.01381	5.1
61.98825	5.3
64.17235	0.4
67.01884	0.6
69.16885	0.3
70.25199	0.7
71.01366	1.9
73.02929	0.8
80.91669	1.4
82.95411	6.0
83.01389	0.5
85.02934	0.6
87.00915	0.4
89.02420	1.5
89.03999	0.5
91.01884	0.4
93.03449	1.2
95.05011	1.3
101.02448	0.9
103.62322	0.3
108.02142	1.2
109.02946	24.8
110.03317	0.5
111.00871	1.5
113.02439	0.7
117.03470	0.7
119.04984	1.2
121.02955	0.5
122.03710	0.5
123.04512	13.1
125.02470	0.6
131.03488	0.3
133.02956	3.6
135.04474	0.6
141.01657	2.3
145.02931	1.6
146.06123	0.8
147.04492	4.2
149.02386	0.9
150.03215	1.3
151.04010	6.2
159.04483	1.4
161.02435	6.9
161.04507	0.4
161.06137	0.5
162.03178	1.2
163.03984	0.9
176.01151	0.9
177.01917	22.5
178.02206	0.6
179.05542	0.5
187.03987	1.7
188.04747	0.6
189.01921	52.9
190.02675	11.6
191.03490	11.3
191.05524	1.4
201.01920	0.7
203.03484	6.3
205.08588	0.9
216.00621	8.0
217.01393	33.9
218.01967	3.0
219.00783	0.7
219.02957	13.5
229.08730	0.4
230.26033	0.3
231.02943	11.1
232.03645	1.3
233.04559	0.9
237.05380	0.5
255.06468	0.7
262.11832	0.4
277.04959	0.4
281.04489	1.2
289.07147	2.3
297.07715	1.0
299.05505	1.3
323.05560	1.7
339.85367	0.4
341.06619	100.0
342.06982	6.1
365.11285	1.5
451.10291	31.2
451.20813	1.4
451.26254	0.9
452.10535	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.98829	3.7
67.01863	0.7
71.01375	0.9
80.91664	0.8
82.95407	4.4
85.02950	0.5
89.02449	1.0
91.01873	0.6
93.03467	0.7
95.05016	1.2
101.02438	0.6
103.05527	0.5
105.03415	0.3
108.02161	0.6
109.02952	20.3
110.03276	0.4
111.00866	1.0
113.02399	0.5
117.03471	0.5
119.05023	1.1
121.02950	1.0
122.03766	0.5
123.04523	11.7
125.02453	0.4
133.02934	2.8
134.03600	0.3
135.00845	0.6
137.02441	0.8
139.85950	0.3
141.01692	1.4
145.02934	1.2
146.03784	0.4
146.06134	0.5
147.04518	3.2
147.35066	0.3
149.02470	0.5
150.03203	0.5
151.04004	5.4
153.01659	0.3
159.04500	0.7
161.02440	5.6
161.04451	0.4
161.06075	0.3
162.03154	1.0
163.04047	0.8
173.02379	0.5
175.03990	0.7
176.01152	0.8
177.01920	21.9
178.02264	0.8
183.77397	0.3
187.04005	1.5
188.01225	0.4
189.01923	44.9
190.02704	10.2
191.03496	9.4
191.05527	1.0
201.02045	0.4
203.03500	5.1
215.99088	0.2
216.00612	7.9
217.01402	32.0
218.02077	2.1
219.02974	12.6
220.03270	0.5
220.82803	0.3
229.01346	0.3
229.08629	0.4
231.02972	10.1
232.03598	1.0
233.04517	1.0
249.77458	0.3
281.04559	1.3
282.05176	0.5
289.07147	1.5
297.07733	1.0
299.05722	1.9
323.05505	1.7
341.06625	100.0
342.06961	5.3
365.10989	0.7
401.73276	0.4
451.10300	29.5
451.20969	1.2
452.10718	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81966	0.4
59.01379	1.3
59.57441	0.4
61.98822	3.4
67.01888	1.3
70.95623	0.6
71.01380	0.8
72.64270	0.4
80.55799	0.4
83.01346	0.5
87.00888	0.9
89.03985	0.5
90.40817	0.4
93.03459	4.9
95.05031	1.2
96.96005	0.9
101.02395	0.5
105.03448	0.5
108.02158	0.6
109.02950	22.2
110.03307	0.5
111.00863	0.5
111.04509	0.5
113.02463	0.4
117.03455	0.8
119.05016	0.7
122.03698	0.5
123.04529	12.2
132.02052	0.4
133.02963	3.1
134.03746	0.7
135.00955	0.5
135.04535	0.9
139.04008	0.4
145.02963	1.5
147.04504	3.8
148.01622	0.5
150.03180	1.0
151.04013	5.9
159.04495	1.0
161.02454	5.3
162.03207	0.6
163.04005	0.5
164.52496	0.4
173.04543	2.4
174.04921	0.4
177.01926	21.8
178.02261	0.7
187.04048	0.9
189.01938	51.1
190.02696	11.3
191.03519	11.2
191.05357	1.0
192.03865	0.5
203.03520	5.1
216.00630	8.2
217.01421	35.4
218.02100	2.4
219.02969	13.1
230.31985	0.4
231.02975	11.4
232.03587	0.5
233.04539	1.0
281.04666	0.5
289.07211	1.8
297.07715	0.5
299.05524	0.5
323.05551	1.4
341.06635	100.0
342.06979	6.4
451.10312	28.2
451.15546	1.6
451.21002	1.2
451.28592	0.4
452.10724	1.7
461.85928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	2.1
53.92604	1.9
54.58697	1.7
55.01875	2.9
59.01359	3.7
61.43831	2.2
66.03544	2.0
69.03450	62.7
69.39835	10.0
69.80701	2.3
71.01379	17.7
71.50494	2.1
78.95911	4.3
84.50181	2.0
85.02950	9.8
87.00878	25.9
89.02457	6.7
98.07566	2.0
98.21905	4.2
108.90192	100.0
111.00896	20.7
112.01670	69.2
113.02445	49.7
119.03492	2.2
120.42816	2.2
137.02440	2.7
143.38463	2.4
150.14024	2.2
157.01427	60.0
157.02663	4.2
159.03053	2.2
179.05623	5.9
191.05701	13.7
196.98576	14.1
210.39940	2.1
212.98196	2.3
222.83269	2.7
249.13235	2.3
270.91794	5.7
289.07086	4.0
315.07144	2.8
322.95834	3.8
324.95798	2.8
432.95276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03432	2.0
59.01366	1.4
59.48942	0.4
61.98809	0.6
63.12055	0.3
67.01867	0.9
69.03482	0.4
69.14899	2.2
71.01380	0.8
73.02914	0.4
81.03458	2.3
83.01371	2.3
91.05522	3.2
93.03453	2.0
95.05016	2.5
96.96005	1.5
97.02412	0.5
97.02963	4.0
98.22664	0.6
100.93376	0.5
101.02425	0.6
107.05024	0.4
108.02130	0.5
109.02953	17.1
110.03278	0.4
111.00877	0.5
111.04535	0.5
116.92841	1.0
121.02951	2.2
122.03745	0.7
123.00847	0.5
123.04521	10.3
124.04891	0.5
125.02445	13.2
126.02877	0.5
133.02977	0.6
135.04523	1.5
137.02452	8.8
138.03214	0.6
139.04024	3.5
145.02951	1.1
147.06471	0.4
149.02454	5.9
150.03242	1.0
151.04007	6.5
153.01826	0.6
158.01796	0.4
159.04555	2.2
160.05278	0.9
161.02446	2.4
161.06085	4.7
162.03236	1.8
163.04012	3.7
164.01134	2.7
165.01907	3.9
167.03503	1.3
173.06070	0.7
175.04028	1.7
175.07646	1.5
177.05565	0.7
179.03514	4.5
185.06021	0.7
187.04022	3.1
188.01140	0.6
188.04831	2.3
191.03729	0.4
191.05602	1.8
193.04968	0.5
201.05568	0.7
202.06367	1.1
203.03609	0.4
203.07132	9.8
205.05066	6.3
212.04803	0.5
221.08191	1.7
227.07062	1.3
230.05885	0.6
231.02878	0.7
245.08191	14.3
246.08589	0.4
247.06131	0.6
271.06067	1.6
289.07166	100.0
290.07553	5.2
313.07114	2.1
355.08051	0.6
369.74051	0.4
451.05075	0.6
451.11432	1.6
451.21844	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	451.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75332	4.6
59.01371	38.3
61.98824	27.7
69.72722	9.4
71.01385	23.0
73.02951	10.3
82.96649	4.8
85.02940	7.8
89.02452	19.9
99.00865	8.0
101.02449	20.2
113.02444	17.6
119.03551	4.5
120.12023	4.7
130.47850	4.5
131.03561	5.7
137.06081	100.0
149.04553	19.9
161.04575	23.7
191.05583	11.0
289.16534	14.0
299.11340	18.9
337.14813	12.7
338.77243	5.4
371.19275	11.5
413.14615	6.4
415.16159	38.3
451.13629	36.6
451.21478	22.9
452.22638	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	451.1759
Annotation	Khonklonginol C
Peak:m/z	Relative Intensity
59.01362	3.2
61.54852	0.8
61.98805	2.1
71.43759	1.0
81.83130	0.9
85.02987	1.0
93.03456	3.5
95.05042	2.1
106.04218	1.4
107.05038	2.9
109.02940	2.5
109.06593	11.5
121.02925	2.1
121.06506	1.0
123.00878	2.4
123.04513	2.0
133.02951	1.3
133.06613	7.3
135.04515	4.8
135.08168	1.4
136.05280	3.6
137.02443	26.9
137.06081	13.0
138.03236	10.9
146.03734	1.8
149.02451	1.0
149.06085	17.8
150.06847	4.1
151.07652	11.8
152.04800	8.2
153.05580	8.6
159.04509	1.7
160.05331	5.5
161.02441	3.9
161.06084	13.9
162.03259	6.6
163.03978	1.9
165.01935	2.6
170.02213	1.0
173.06039	2.9
175.03981	2.2
176.04764	10.2
177.01949	3.8
177.05568	44.6
178.02708	3.0
178.06224	3.8
179.03473	2.5
180.04338	1.5
189.05630	1.3
191.07153	1.3
192.04326	1.0
193.05077	1.8
194.05693	1.1
201.09200	0.8
217.04993	1.4
229.08594	0.9
232.07388	2.2
239.10814	6.0
241.08667	3.6
241.12390	1.0
243.10347	1.2
247.09767	4.1
255.10191	1.5
257.11880	4.4
265.08914	1.2
267.10190	6.0
269.08173	1.6
271.09613	1.2
279.06781	2.6
279.74164	0.9
280.72824	1.0
282.05542	2.0
282.08896	3.8
283.09744	8.0
284.10501	1.6
297.07632	13.3
297.11264	5.8
311.09299	3.0
312.10022	15.2
313.10553	1.2
326.11472	3.5
327.12366	100.0
328.12625	7.1
345.13425	16.0
346.13828	1.0
353.13928	3.2
421.13000	2.0
433.16553	26.4
434.16312	2.1
451.17572	38.6
451.23761	2.0
452.17966	4.1
456.78040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42184	1.1
58.41517	0.9
63.60756	1.0
71.19065	1.8
81.46487	1.1
87.19736	0.9
87.20295	0.9
96.31665	0.9
96.95956	1.3
99.00885	2.2
99.92589	10.6
100.93364	50.8
115.92076	100.0
116.92065	2.7
116.92864	9.0
125.09694	1.3
132.92316	1.7
172.95450	6.2
184.13327	1.2
277.21533	1.2
280.23495	1.7
281.23993	3.6
282.24203	2.2
283.24359	1.1
311.22281	1.5
351.54825	1.1
402.20831	1.2
433.16907	1.4
451.17862	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	451.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19476	0.9
57.24192	1.0
58.13337	0.8
58.93170	0.8
59.01373	2.3
61.98833	1.9
67.64608	0.9
69.39328	4.5
73.44508	0.9
78.95896	7.3
98.21911	2.1
103.01514	1.9
104.68774	1.0
117.06600	0.9
144.50020	1.0
152.99591	1.8
173.77420	1.0
175.04036	1.3
176.04788	1.2
181.15533	0.9
197.06023	1.2
210.06697	1.2
212.04767	10.0
213.05493	2.0
223.07574	4.5
225.09192	2.2
226.06325	2.0
227.07150	2.3
227.10794	1.4
228.04248	1.2
240.04341	1.7
241.08662	1.9
254.05827	4.1
255.06496	7.4
255.23320	5.0
269.08163	1.7
276.11639	1.1
291.10474	1.2
301.12393	3.2
303.10309	3.4
304.11179	1.6
317.11780	1.0
331.09741	10.7
332.10272	1.2
345.11203	8.8
346.12000	15.3
347.12646	2.0
360.13538	3.0
407.20538	1.3
423.19727	3.3
441.46350	1.2
451.19110	100.0
452.19376	9.8
452.27774	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93609	0.5
61.98811	0.7
63.35324	0.5
66.19495	0.4
70.28093	1.0
78.95884	0.7
91.05533	2.7
95.05013	1.0
107.05009	1.6
109.02951	12.9
122.03748	0.6
123.04512	0.5
133.02930	0.6
135.04529	3.3
159.39908	0.4
164.83551	0.6
166.92010	0.5
175.03973	0.6
187.03960	0.6
187.07661	0.6
188.04767	1.0
189.05557	1.5
190.06381	0.5
195.08180	0.7
196.09007	1.0
197.06027	0.8
197.09744	4.3
199.07675	2.8
199.11336	0.8
200.08212	0.7
202.06256	0.6
210.06813	2.1
211.07571	1.7
213.05562	0.8
213.09117	1.1
222.07057	0.5
223.07645	7.1
224.08308	2.4
225.09227	6.9
226.06290	1.1
226.09807	0.9
227.07150	2.2
227.10732	3.1
236.04771	0.9
237.05688	0.7
240.04297	0.5
240.07872	0.5
241.08705	1.8
249.09245	1.0
250.09969	4.5
251.07196	1.3
251.10458	0.7
253.08652	0.6
254.05888	1.4
255.06633	4.2
256.07281	1.0
260.12000	0.6
261.09232	0.5
263.10757	1.3
269.08127	2.5
272.12247	2.4
273.12860	2.1
275.10791	1.2
276.11658	1.2
277.12253	1.3
279.10297	1.3
281.11844	9.8
282.12253	0.6
286.09845	1.2
287.11069	0.9
287.14349	4.8
289.12195	0.9
290.13049	2.5
291.13715	1.1
301.12491	2.2
303.10358	0.7
303.13712	0.8
314.13126	2.1
315.13840	1.5
316.14667	1.7
317.11859	1.1
319.13446	1.3
327.10202	1.6
330.08997	1.1
331.09766	1.2
331.13339	1.5
341.15399	5.8
345.11282	4.3
346.12070	3.1
347.12854	1.3
359.12784	0.8
360.13678	2.8
363.17514	8.4
364.18210	3.1
379.20541	0.9
381.18585	1.0
389.19345	0.7
396.17285	1.8
405.18497	1.6
407.20236	3.9
423.19653	1.9
433.18073	2.0
436.16690	2.3
451.19113	100.0
452.19400	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	451.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03441	2.7
59.01377	14.2
61.98827	100.0
67.01889	3.6
69.33082	3.3
71.01381	8.7
73.02953	1.9
83.01357	0.8
85.02955	3.1
87.00887	1.3
89.02444	8.3
93.03477	0.7
95.01379	1.1
96.04539	3.9
96.96008	11.8
98.22652	1.0
99.92599	1.0
100.93372	2.0
101.02444	5.5
111.00892	6.0
112.01237	1.5
113.02469	3.8
115.92078	2.0
116.92869	4.0
119.03529	4.2
127.00411	2.1
131.03520	1.1
133.02956	1.3
133.65753	0.8
137.02455	1.1
139.04024	1.5
143.03474	1.8
144.03835	0.8
144.56201	0.6
149.04611	1.0
149.09726	1.8
153.01953	1.1
153.05557	1.4
161.04524	1.3
167.10757	5.2
169.08691	3.1
179.05623	2.8
191.05553	3.5
195.47772	0.8
200.09312	5.0
207.13847	1.0
210.96591	0.7
216.98163	1.2
222.09720	0.8
223.10124	0.9
225.15059	1.9
234.99214	1.2
243.16107	0.8
262.96667	0.7
289.02380	1.4
306.07489	0.8
356.13086	0.7
370.18732	1.2
388.19745	18.8
391.11038	1.7
405.21280	17.0
451.05640	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
59.01379	42.3
61.98830	16.6
69.37677	4.5
71.01378	23.7
73.02956	1.5
75.00888	5.0
85.02941	4.7
87.00881	1.7
89.02441	27.2
91.05518	2.5
93.03472	1.4
95.01389	1.3
101.02438	11.1
113.02442	10.3
119.03487	11.1
123.04514	2.0
125.06095	1.2
136.05333	1.2
137.02429	1.0
137.06075	21.1
139.07628	2.8
146.73021	1.0
149.05971	1.1
151.04057	1.4
152.04750	4.4
156.51668	1.0
161.02466	1.9
161.04568	2.5
164.04768	1.7
165.05563	79.3
166.06352	36.8
167.07126	9.5
179.05569	4.6
191.05569	1.1
205.05099	2.5
213.09157	2.0
215.10730	1.5
215.47432	1.2
217.12105	1.1
227.10876	2.7
229.12108	1.3
229.70103	1.0
243.13875	3.6
253.12289	6.9
255.10233	4.4
256.11041	6.0
271.13388	100.0
272.13666	5.5
285.14880	4.2
289.14462	8.8
313.14401	4.0
328.11591	36.8
329.11920	2.3
331.85175	1.0
418.16028	1.3
451.19559	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1972
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
55.01867	1.7
57.03457	2.0
59.01379	100.0
61.98822	7.2
70.63259	1.4
71.01379	55.7
71.05038	1.6
72.01759	1.4
72.99316	2.5
73.02962	10.1
75.00860	1.5
83.01382	5.0
83.02705	1.1
83.05031	1.5
85.02946	15.0
87.00874	5.8
89.02439	62.3
91.05554	6.0
92.49958	1.2
95.01389	4.0
97.02952	1.5
99.00873	2.7
99.04549	5.5
101.02440	44.4
103.03990	1.7
104.39868	1.3
111.04491	1.8
113.02454	25.6
114.90759	1.2
119.03495	27.9
120.05756	1.4
121.02933	1.6
122.03704	1.5
123.04536	3.1
125.06098	4.1
131.03564	2.9
135.08134	1.5
136.05299	1.4
137.02446	2.9
137.06056	6.0
139.07689	2.0
140.21010	1.4
143.03522	4.9
149.04549	2.7
152.87936	1.3
159.02910	1.3
159.08237	1.3
161.02463	1.7
161.04533	16.2
165.05591	7.1
166.06313	2.3
167.07083	2.9
171.08090	1.6
179.05615	13.6
189.09157	2.2
203.10674	1.5
211.11299	5.5
215.10765	9.6
217.12282	1.8
225.09123	3.6
227.10757	4.5
229.12279	7.7
243.13736	1.4
245.11816	3.4
253.12270	9.6
255.10207	2.9
256.11011	3.3
271.13376	48.6
272.13773	4.1
289.11209	2.6
289.14462	49.3
290.14465	1.4
298.98270	1.3
328.11514	1.8
349.12570	1.6
451.19876	37.5
452.20111	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	451.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	33.5
61.49359	7.0
61.98826	85.5
64.42064	6.9
67.01859	13.7
71.01376	22.6
71.43186	6.8
73.02919	7.5
78.93020	6.8
85.02935	10.6
87.00874	20.5
93.03460	55.4
96.96055	10.0
101.02417	12.1
111.00887	9.7
113.02427	16.1
138.01996	12.7
159.04352	8.1
173.04495	21.1
191.05603	19.4
192.75610	8.3
245.37971	9.0
309.59793	7.3
341.97815	6.9
451.15570	27.8
451.21066	100.0
451.28915	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98418	3.3
59.01376	36.7
61.98825	78.7
67.01884	8.4
69.03439	3.5
71.01390	12.3
73.02947	3.0
82.91525	3.1
85.02944	7.6
87.00896	4.4
89.02451	9.5
92.80634	3.5
93.03468	8.1
95.01418	3.3
97.23375	3.7
101.02459	9.1
109.02950	6.7
111.00860	10.3
111.04517	4.3
113.02475	8.2
115.26003	3.5
117.05598	22.9
121.02856	3.8
123.04546	4.9
130.08656	3.8
132.04561	7.4
136.04086	3.5
139.04036	4.1
144.04523	6.9
146.06133	55.3
160.04012	4.3
162.05589	7.9
173.04393	3.7
177.02010	5.6
183.13913	5.5
189.01929	10.9
190.05121	13.8
191.05621	30.0
209.15382	3.3
217.01428	4.0
227.16597	6.9
229.14471	17.1
243.12334	5.5
267.12335	3.6
271.15378	7.0
289.16727	8.4
291.11359	4.1
334.09311	5.8
341.06628	20.2
364.04919	3.5
391.19940	5.6
451.21552	100.0
452.22467	7.2
471.98959	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.2
61.98822	32.8
63.68164	1.1
69.03448	1.3
69.45811	5.8
71.01376	2.5
73.92307	1.0
79.27350	1.1
80.04897	1.1
82.95380	1.4
93.03454	2.2
109.02941	26.8
111.00864	2.7
119.04983	2.1
119.16418	1.2
121.02931	1.7
123.04511	10.6
125.02444	1.6
132.04546	1.6
133.02963	4.3
134.03773	1.5
135.04503	1.3
137.02444	3.5
139.04007	1.5
146.06082	8.0
147.04506	3.1
149.02432	2.0
150.03229	1.8
151.03993	5.9
159.04425	1.3
161.02423	8.3
162.03165	2.5
163.04015	2.5
165.01933	2.4
173.04567	1.5
177.01920	26.8
187.03996	3.7
188.04749	1.7
189.01927	31.5
190.02689	12.7
190.04442	1.5
190.04988	1.3
191.03479	5.4
191.05652	3.9
191.27802	1.4
192.05910	1.2
194.12341	1.4
195.06467	1.4
203.03520	2.4
208.03770	1.3
212.17038	1.1
216.00586	8.3
217.01385	18.8
217.06294	1.2
219.03033	8.3
229.08562	2.2
231.02924	5.2
232.03568	1.8
239.06682	1.3
279.06375	1.4
281.04456	6.5
287.05743	1.9
289.07104	2.1
297.07614	5.5
299.05579	5.8
341.06619	100.0
342.06894	5.5
451.10352	20.4
451.20227	8.0
451.25687	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	451.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.7
63.01768	0.7
69.79452	1.9
78.95901	55.2
89.93583	0.6
96.96010	0.8
96.96962	5.1
98.22575	0.8
107.13108	0.7
116.92809	1.0
119.94629	0.6
138.59723	0.6
139.11978	0.7
143.10770	34.2
150.97964	0.7
152.99582	46.2
171.13896	100.0
172.14215	2.7
179.05228	0.6
183.21027	0.6
216.37901	0.7
248.24426	0.7
275.64429	0.7
279.09964	6.6
293.17651	0.9
297.11072	1.8
307.13144	25.9
308.13464	1.5
325.14221	11.4
326.14691	0.7
391.14328	0.9
451.24564	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	451.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56786	0.1
58.02968	0.4
63.88807	0.1
69.15129	0.3
69.15530	0.2
72.04557	0.1
80.05047	0.2
81.03452	8.7
82.06606	0.6
83.05022	24.2
84.05344	0.4
93.38879	0.1
100.07668	0.2
104.87996	0.1
107.06148	0.9
108.04551	1.0
121.61434	0.1
125.07207	3.0
125.78807	0.1
126.05614	0.4
137.02391	0.1
143.08247	1.4
189.01857	0.1
191.05679	0.2
207.15016	3.0
208.13428	0.1
208.15359	0.1
222.16162	0.2
224.17661	4.1
225.16074	11.7
226.16368	0.4
242.18724	1.6
250.15607	0.3
268.16757	0.2
290.22403	0.2
306.22092	0.1
307.23917	0.4
309.21790	0.5
324.26480	1.7
333.22961	3.6
334.23337	0.2
339.27628	0.3
341.06924	0.2
341.29630	0.1
350.24606	0.1
351.23984	1.2
367.27124	1.2
385.28076	0.2
406.30579	0.2
433.31818	5.5
434.32452	0.5
451.32852	100.0
452.33185	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	452.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35739	0.2
59.01374	0.8
60.71879	0.2
61.98826	100.0
66.92006	0.2
70.66061	0.4
71.01404	0.2
78.68007	0.2
85.02937	0.2
101.02450	0.2
109.02972	0.3
111.00877	0.3
113.02471	0.5
124.76704	0.2
125.02505	0.4
128.03574	0.3
129.41974	0.2
132.04559	0.3
135.45245	0.2
137.02440	0.4
144.04591	0.3
146.06116	2.6
146.07193	0.3
150.04262	0.4
157.71776	0.2
161.02510	0.2
163.81387	0.3
176.03534	0.4
190.05148	0.5
191.05568	0.4
204.33958	0.2
227.07294	0.3
228.07495	0.4
232.64641	0.3
243.09930	0.2
261.77252	0.2
289.07172	0.4
290.07584	0.5
338.09079	0.3
352.10355	0.4
452.11282	0.2
452.22849	1.8
453.24054	0.3
469.96100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03621	0.6
52.77285	0.6
59.01378	4.6
61.98825	17.4
62.98082	0.6
63.47467	0.6
69.03473	0.8
71.01375	2.2
73.02944	1.9
79.99552	0.7
81.94870	0.6
82.95408	0.7
85.02950	1.8
87.04508	3.2
92.05048	3.7
93.03445	0.8
94.58103	0.6
101.02477	1.1
102.03494	0.7
113.02450	3.6
113.46328	0.7
117.05579	0.7
118.03049	0.7
120.04537	1.5
131.03487	2.4
132.04506	0.6
139.03993	1.3
141.15866	0.6
146.02463	5.1
146.06071	1.5
147.03258	2.1
148.04027	4.7
153.09201	0.9
158.02480	0.7
158.06218	0.9
162.03207	0.8
174.01971	1.2
174.05576	0.8
175.02730	47.3
176.03519	100.0
177.03835	2.8
177.05351	0.7
186.05576	1.1
188.03513	2.0
191.05641	1.6
207.05202	0.9
231.13898	1.2
249.14929	1.4
338.08792	87.4
339.09018	6.2
452.11737	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	452.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98829	100.0
70.88319	0.2
203.89471	0.1
225.64984	0.2
227.10928	0.2
228.11058	0.4
229.11444	0.2
339.99600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.98827	2.4
67.10667	0.2
67.48993	0.2
70.80506	0.1
71.01371	0.3
71.26656	0.2
73.02960	0.2
80.11800	0.2
85.02956	0.2
97.02912	0.2
98.13449	0.2
101.02462	0.5
105.54913	0.2
109.96970	0.2
112.04077	0.2
113.02451	0.2
117.04897	0.2
117.05540	0.9
118.06664	0.2
122.77094	0.2
130.07135	0.1
131.03789	1.3
139.04037	0.4
144.04556	5.8
145.05405	0.3
146.06116	100.0
147.06477	2.9
155.18794	0.2
160.07654	0.3
161.04561	0.2
177.05563	0.2
188.03462	0.3
188.07162	2.2
190.05096	16.4
191.05458	1.0
200.34940	0.2
212.07224	0.2
242.08072	0.2
290.10321	0.8
308.11368	0.7
324.85553	0.2
327.65640	0.2
334.09344	1.9
344.92627	0.2
350.12375	0.7
352.10376	2.6
394.11395	3.4
395.12057	0.2
434.15216	0.2
452.15747	1.0
452.21738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31838	0.4
59.01384	2.4
60.85604	0.4
61.00857	0.4
61.98822	4.1
71.01376	0.7
79.64165	0.4
83.05134	0.4
89.02454	0.7
96.96001	1.4
107.05044	0.5
111.00854	0.5
115.57945	0.5
116.92868	0.6
121.06599	4.5
132.98183	1.3
174.99107	0.5
211.02956	0.7
227.46980	0.4
230.15536	0.5
231.03349	0.7
232.17097	1.1
239.02298	0.7
250.18065	0.7
251.06062	0.5
275.04520	0.4
292.08670	1.4
294.17050	1.5
302.10809	1.2
304.12247	10.0
332.11801	6.3
346.13348	17.9
347.13596	1.1
348.11288	0.8
348.14899	4.2
350.12851	9.6
351.13120	0.6
370.08948	0.5
374.12857	13.0
375.13437	0.9
390.12433	0.6
392.13904	100.0
393.14236	5.7
394.12021	0.6
418.11960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01077	0.8
59.01377	18.3
61.98829	100.0
70.11904	1.0
71.01389	3.1
73.02946	4.4
82.51631	0.5
83.01388	1.1
85.02998	0.5
89.02448	1.4
101.02438	5.0
113.02465	1.6
119.03482	0.6
129.76913	0.4
131.03513	0.6
142.62341	0.5
149.04507	0.5
161.04608	1.6
189.12207	0.5
359.79065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	31.0
61.23587	3.0
61.98828	35.3
69.03432	3.5
70.94881	3.8
71.01384	5.8
71.05009	3.2
73.02939	20.4
81.03448	3.9
85.02952	4.9
87.00861	4.8
89.02461	3.3
93.03493	4.0
96.96021	8.2
99.04531	18.2
101.02384	3.7
104.36748	2.7
112.01304	2.7
113.02448	28.1
115.04012	3.3
118.98160	3.9
121.02968	5.4
123.04527	7.0
127.00417	2.9
131.03510	2.8
143.03461	7.4
146.40410	2.4
173.04495	5.3
191.04047	3.2
191.05641	8.5
230.09093	4.7
232.11188	3.3
239.12688	2.9
276.19687	5.2
283.05048	2.7
291.12430	5.2
320.18536	17.2
328.22980	2.9
329.09671	3.1
367.07272	3.4
390.22922	4.8
407.01288	3.2
434.21899	17.7
452.22839	100.0
453.23193	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	452.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.3
57.03436	3.2
57.49965	2.6
59.01372	37.0
61.98829	14.1
67.01888	4.8
69.03461	2.8
69.47193	7.8
69.47595	4.8
71.01380	11.7
73.02945	5.7
73.50951	2.6
83.05048	5.5
84.04533	3.0
84.18594	2.3
85.02946	3.2
87.00871	6.4
89.02431	6.3
92.05064	7.5
93.03455	21.7
94.03806	10.9
98.21865	5.0
99.00884	3.2
100.07684	66.8
101.02454	8.1
101.06078	10.6
103.04007	8.1
112.01664	50.6
113.02455	7.4
116.92818	3.3
117.07117	26.1
121.06630	3.2
124.05297	10.9
125.02454	6.3
127.04010	100.0
127.87986	2.6
133.02925	4.3
133.06578	4.3
134.03746	10.3
135.04495	8.1
136.04065	5.1
137.02431	4.0
138.03221	2.7
138.05623	9.3
138.09293	2.8
139.04028	8.8
140.01103	3.8
144.00638	16.1
145.06567	6.4
149.06079	5.2
150.09294	6.6
152.04791	63.7
153.05475	3.1
155.03487	17.5
158.07332	4.2
161.06119	5.1
161.09715	3.1
167.07149	42.0
168.10255	3.8
170.11781	3.0
173.04602	15.0
173.09694	20.1
174.04932	8.7
175.05003	11.1
176.05457	3.2
178.08705	7.2
185.09628	4.0
191.05638	10.8
192.06007	5.4
193.06070	5.5
201.09138	5.0
202.12367	31.8
205.05362	2.8
205.08662	3.4
212.10876	3.6
222.11356	6.3
223.12108	18.1
228.42912	2.5
230.11876	8.4
232.10416	6.3
234.11200	2.9
234.14978	23.3
256.13422	4.1
262.14481	22.6
275.09180	4.7
276.09579	7.8
278.10019	13.7
280.15546	6.1
285.35379	3.4
286.18112	49.9
287.18570	3.9
288.15903	4.2
296.16583	4.4
303.18332	4.8
313.16977	3.5
314.17596	30.7
318.20892	4.4
330.17093	31.6
331.17789	9.9
332.14841	7.7
342.13397	3.2
346.20087	13.5
362.19678	9.4
372.18127	5.3
390.19244	6.8
408.20267	8.5
452.19485	65.6
452.29004	3.9
477.67667	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	452.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37189	18.4
59.01376	37.9
61.98834	100.0
71.10588	20.1
71.35049	17.8
142.85034	16.7
149.83151	17.3
154.14690	18.4
204.59213	17.2
227.42636	19.3
308.94299	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.3
55.54160	0.3
57.03440	3.3
59.01373	1.3
61.98809	0.8
65.30607	0.3
69.03465	1.0
69.36674	1.1
71.01370	0.8
71.04999	0.8
73.02941	1.8
78.95930	0.3
80.10406	0.2
84.02167	0.5
85.02950	11.5
87.00867	0.4
87.04514	0.5
91.14250	0.3
96.96014	1.7
96.96976	0.3
98.03744	1.1
98.21929	0.6
98.95579	2.1
99.00882	0.3
99.04504	0.3
99.92575	0.5
100.01684	0.4
100.41573	0.3
100.93375	0.9
112.00872	0.4
112.01669	9.3
113.02446	100.0
113.13404	0.3
114.02782	1.2
114.05565	0.4
115.03943	0.4
115.92072	1.1
116.92871	1.8
121.02968	0.6
121.70103	0.3
125.02459	0.3
127.03124	0.6
127.04008	8.4
144.00636	2.9
144.04527	0.4
146.06096	0.7
157.03668	0.3
191.05437	0.4
199.98488	0.3
208.13451	0.3
236.12927	0.3
243.96858	0.5
244.16992	1.1
262.18094	4.0
280.19147	0.6
288.16183	0.5
289.07040	0.9
290.07574	0.6
306.17084	5.6
307.17340	0.4
322.16458	0.6
324.18134	24.4
325.18402	1.2
371.09830	1.0
373.00119	0.4
394.18076	0.3
452.02701	0.5
452.11078	0.5
452.22751	11.8
453.23227	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09895	0.6
53.47027	0.8
55.01871	1.5
57.03441	2.0
58.80969	0.6
59.01380	23.9
61.98819	4.2
69.03449	1.5
71.05020	2.3
71.27526	0.6
73.02943	12.5
73.89559	0.7
82.69127	0.7
83.05009	3.3
85.02970	3.8
85.06597	1.6
87.04505	0.9
96.04524	1.3
96.21498	0.8
96.25320	0.7
97.02978	1.0
97.06606	1.0
99.04521	5.4
102.54756	0.7
109.06606	0.7
111.04528	2.7
111.08176	1.3
113.02456	17.8
114.05618	1.0
115.04008	7.8
120.08138	0.7
122.09731	2.2
123.08167	1.1
124.07755	0.8
129.05611	1.2
136.07581	0.8
137.06102	1.8
138.09279	1.1
143.03546	1.5
143.07135	1.0
148.07709	1.2
151.07506	0.7
155.07230	0.9
166.08749	2.4
168.10291	2.4
177.12845	1.0
192.06201	0.7
192.13887	1.3
208.17119	1.2
220.13400	2.2
221.23306	0.7
232.17018	0.8
234.14819	1.2
244.16966	0.9
250.18126	2.1
274.18137	2.0
276.19662	1.5
287.73105	0.6
294.17075	2.2
318.17181	3.5
318.55249	0.7
320.18646	3.1
328.22672	0.9
336.18149	2.9
346.23895	2.6
371.97513	0.8
372.21768	2.0
390.22577	4.3
392.17337	1.1
408.23920	1.4
416.20615	1.0
420.20581	0.8
434.21783	30.9
435.22171	2.3
445.75949	0.8
452.22876	100.0
453.23196	8.5
453.29230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.1
57.03445	3.5
59.01378	7.5
61.98831	6.0
65.17729	0.5
66.48856	0.5
69.03443	0.9
71.01398	2.8
71.05011	0.6
72.99312	0.6
73.02944	2.1
75.28879	0.4
83.01452	0.6
84.02176	0.6
85.02948	11.7
87.00891	0.8
87.04491	0.7
89.02464	2.2
93.03468	1.1
96.96020	0.7
98.03722	1.5
98.53791	0.5
99.00867	0.8
99.92574	2.2
100.01671	0.8
100.92625	0.9
100.93369	2.2
101.02453	1.7
101.06085	1.0
101.93391	1.4
112.01665	10.0
113.02450	100.0
114.02781	1.7
115.92105	2.3
116.92114	1.2
116.92860	12.8
117.92870	8.3
118.92663	0.8
119.03508	0.6
127.04002	8.1
139.04012	0.8
140.04391	0.6
144.00647	2.3
170.93932	1.2
175.57419	0.5
179.05618	0.6
191.05559	0.7
195.67375	0.5
218.97549	0.6
241.53603	0.5
244.17081	1.3
262.18112	3.0
280.19189	0.6
288.16040	0.6
306.17111	6.1
324.18149	21.8
325.18607	1.0
339.12863	0.9
339.16513	0.5
373.00394	0.7
390.05618	0.6
434.04639	0.8
452.05624	3.5
452.22806	10.7
453.05725	0.8
453.23553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01378	100.0
60.01709	0.8
61.98823	3.2
64.70868	0.6
69.03421	0.6
69.24670	0.5
69.43118	1.4
71.01398	0.6
71.05012	1.2
73.02947	5.2
83.05038	1.0
85.02969	1.5
85.06614	0.8
87.04556	0.9
89.29215	0.5
90.00466	0.6
94.22112	0.7
98.22664	0.7
99.04529	3.2
111.04533	0.9
113.02454	5.8
115.04044	1.7
121.02957	1.1
129.05617	0.8
137.06088	1.0
143.03474	0.8
177.12843	1.0
186.11353	0.7
215.07784	0.5
233.20137	0.6
234.14925	0.5
236.13098	0.6
247.35207	0.5
249.06174	1.2
250.18045	0.9
252.77432	0.5
274.18182	1.2
276.19769	0.8
318.17303	0.8
320.18521	3.0
328.22784	1.0
328.63434	0.6
336.17752	0.6
346.23837	1.6
371.09854	1.7
372.21780	1.2
390.22745	1.3
392.17664	1.1
408.24097	1.4
416.20822	0.9
434.21799	8.3
435.22418	0.9
452.22900	37.5
453.23236	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	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.9
67.32468	0.3
67.59546	0.4
68.72111	0.3
69.75775	1.1
78.95903	19.3
98.21899	0.4
108.23734	0.3
122.00121	1.0
130.97348	0.4
132.61696	0.4
134.98602	0.4
140.01189	4.6
142.42532	0.3
152.99579	2.2
171.00769	0.4
196.01985	0.5
196.03798	9.2
214.04820	2.0
255.23282	100.0
256.23615	5.3
383.21719	0.4
452.27817	30.2
453.28235	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.98826	2.7
70.86068	1.4
72.53252	0.9
78.95895	7.3
81.10464	0.9
83.71844	0.9
115.37423	1.1
170.49161	1.2
196.03758	1.3
214.04822	2.5
255.23282	100.0
256.23584	5.9
307.85373	1.0
322.10486	1.1
452.27759	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	452.3017
Annotation	10-Deoxymethymycin
Peak:m/z	Relative Intensity
56.53011	0.7
59.01367	5.3
61.98840	1.7
62.07257	0.8
71.01384	6.5
72.04557	1.3
72.43085	0.7
78.95901	18.2
78.96330	1.3
89.01871	0.9
93.03477	2.5
96.96978	1.5
108.02172	35.8
109.02968	5.0
111.00925	0.9
121.03002	0.8
123.00932	1.1
123.04520	32.9
124.01688	1.5
133.01730	1.6
136.01643	1.3
141.23195	1.0
151.02773	6.1
152.03540	16.1
152.04684	1.2
152.99559	2.0
164.03539	56.7
165.04303	5.9
166.05106	12.2
171.00685	3.2
176.03474	2.0
180.06718	3.6
183.08199	2.6
193.03897	2.1
194.03142	0.9
194.04567	5.7
208.06158	6.2
225.22269	1.3
255.23241	4.8
390.27377	1.9
406.26663	1.6
452.30295	100.0
453.30600	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	453.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18750	0.7
59.01365	2.3
71.01376	3.5
73.02924	0.8
75.63351	0.7
84.95150	1.3
85.02939	0.9
87.00874	1.2
89.02428	2.8
96.89013	0.7
96.95976	3.0
97.02969	0.8
98.95602	5.0
99.00864	1.3
99.91970	1.4
99.92586	19.7
100.92654	1.5
100.93360	26.2
101.93951	0.7
108.02218	0.7
115.03999	2.1
115.92068	28.4
116.07158	1.1
116.92088	1.2
116.92853	9.4
117.93635	0.7
123.04517	1.1
125.02448	1.8
131.69452	0.7
132.02214	0.8
133.02940	3.5
134.03746	6.2
135.04521	9.4
161.02443	1.7
179.03510	7.8
180.35881	0.8
191.05586	3.3
193.06241	0.9
199.95711	1.8
200.96533	1.5
210.97034	1.1
215.95229	3.4
216.95946	6.2
217.96727	15.8
217.98666	1.2
218.97534	50.0
219.94647	1.0
219.97742	2.8
221.96214	2.0
234.96973	1.0
244.95451	3.4
246.96989	0.8
256.97507	1.3
260.94894	1.3
261.95633	2.8
262.96500	100.0
263.96710	5.2
293.08704	1.6
307.08243	2.1
373.00156	11.8
374.00528	1.4
391.01242	47.6
392.01355	4.9
417.13983	8.7
434.90210	0.8
435.00101	1.5
453.01099	2.1
453.16302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.1
60.68501	0.6
62.95604	0.6
69.09279	4.8
71.01366	2.6
82.95399	0.8
84.95116	5.2
85.02944	0.8
89.02456	3.7
90.04881	0.7
96.96020	5.0
98.95606	5.6
98.96180	0.9
99.92578	20.1
100.66138	0.7
100.92714	1.0
100.93357	24.5
101.02425	0.7
101.93382	0.9
101.98248	0.6
105.03492	0.7
111.00874	1.0
115.92076	25.9
115.92908	1.3
116.07150	1.0
116.92102	1.5
116.92852	8.4
121.72201	0.6
123.04530	1.8
125.02451	1.6
133.02957	2.4
134.03743	6.1
135.04544	11.8
161.02347	1.1
175.78288	0.7
177.92329	0.6
178.02655	0.7
179.03557	7.1
191.05595	2.8
192.95990	1.2
200.96341	1.4
203.95200	1.0
210.96988	2.5
215.95139	2.4
216.95990	4.3
217.96733	15.1
218.97530	54.3
219.97723	3.3
221.96336	1.1
233.06557	0.8
234.96947	1.0
239.96153	0.8
244.95508	3.4
246.96962	0.8
250.96642	0.7
256.97482	0.9
260.95023	1.5
261.95810	3.4
262.96503	100.0
263.96735	6.8
293.08795	2.7
307.08292	1.3
373.00150	10.6
374.00473	0.7
391.01245	54.5
392.01581	4.5
392.36374	0.7
400.81119	0.8
417.14008	12.4
435.00195	2.6
453.01236	1.8
453.06552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65088	0.7
55.01879	1.3
57.03440	2.4
58.21793	0.7
59.01376	23.2
59.57613	0.7
59.77898	0.7
61.98826	2.2
68.99816	1.8
69.03453	2.5
69.40247	3.5
69.61012	0.7
71.01376	14.6
72.99305	4.7
73.02942	4.3
75.00866	13.8
75.01259	1.3
75.27837	0.8
78.85439	0.7
78.91911	0.8
79.05134	0.7
80.91674	3.6
81.03473	1.8
83.01376	1.9
83.05030	1.0
84.95124	2.6
85.02943	13.7
87.00875	5.1
89.02433	4.3
91.04003	1.1
93.03452	1.0
95.01379	4.9
98.22564	1.1
99.00880	8.5
99.04530	1.2
99.92601	1.8
101.02447	0.9
103.00387	2.6
111.00942	1.1
111.04527	1.1
113.02449	19.6
115.00378	2.5
115.04008	1.2
117.00481	1.0
117.01928	3.0
121.02950	71.4
122.03315	2.0
126.98872	1.8
129.01912	1.2
135.45685	0.8
139.00375	0.8
141.00421	2.1
150.96478	0.7
157.01428	1.5
168.99956	1.5
175.02495	2.6
179.02124	1.0
189.04005	1.5
203.02023	2.9
231.01460	2.9
231.05092	5.2
249.06131	66.5
250.06517	2.2
257.01474	0.9
319.03284	1.0
320.18658	0.9
321.19177	1.1
331.05194	5.9
332.05417	0.9
371.09799	100.0
372.10132	6.1
393.07355	27.8
394.07401	3.2
417.23410	1.0
435.22192	1.1
452.22922	1.9
453.09650	2.3
453.23236	9.1
454.24219	2.0
476.75348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03426	2.9
59.01377	22.8
61.98814	1.7
68.99799	2.5
71.01373	17.5
71.08854	1.1
72.99298	3.8
73.02930	3.6
75.00471	1.5
75.00872	17.0
75.01295	1.2
77.03935	1.1
80.91672	4.3
81.03436	1.6
83.01392	1.6
83.05024	2.0
85.02950	17.9
85.06593	12.6
86.90704	1.0
87.00856	5.2
89.02435	4.6
93.03453	6.6
95.01409	5.3
96.79633	0.9
97.02922	1.1
97.06579	9.7
99.00875	9.3
101.02443	2.1
103.00361	2.0
106.04218	6.3
107.05000	3.8
109.02936	1.5
111.00887	1.3
111.04526	1.2
113.01611	1.0
113.02452	20.8
115.00368	1.7
117.01926	3.8
119.04997	1.7
120.99654	1.5
121.02951	74.6
122.03311	1.6
123.04530	4.6
126.98840	1.3
129.01932	1.4
134.03653	1.3
137.06027	1.0
141.00438	1.9
143.04906	1.3
145.90335	0.9
147.08177	16.4
148.08522	1.5
159.08156	9.2
168.99895	2.3
175.02420	2.3
177.01836	1.0
179.02017	2.1
183.08089	1.3
185.09668	2.3
189.04019	1.4
193.04926	1.1
201.09193	4.2
203.02068	1.9
203.07243	2.5
203.10774	50.4
204.11128	2.3
229.08658	6.5
231.01466	2.5
231.05074	5.0
247.09734	53.7
248.10075	2.7
249.06139	72.4
250.06487	2.7
279.74960	1.0
318.78564	1.1
331.05121	6.7
371.09799	100.0
372.10138	4.9
393.07465	26.4
394.07254	1.7
409.15042	2.7
435.22183	1.4
451.91483	1.0
453.09000	1.6
453.23068	4.5
454.24246	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	453.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
60.59008	0.1
61.98816	0.6
69.03439	0.1
69.66070	0.3
69.66425	0.4
71.01373	0.6
73.02941	0.4
81.03484	0.5
85.02961	0.3
85.94867	0.2
89.02446	0.3
89.03960	1.1
95.05029	1.1
98.22599	0.2
99.36108	0.2
101.02435	0.5
105.03445	2.8
109.02967	0.2
113.02449	0.6
133.02957	7.0
139.04012	10.0
140.04330	0.3
144.53145	0.2
149.02428	1.0
160.92746	0.2
176.01196	0.3
177.01923	100.0
178.02278	3.4
220.22211	0.2
292.29718	0.2
321.19189	0.4
339.07193	8.2
340.07550	0.6
385.09167	0.2
453.23450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98827	3.5
69.03464	0.8
71.01380	0.8
73.02957	0.3
85.02946	0.5
89.02425	0.5
93.03459	0.5
101.02445	0.6
108.12167	0.3
112.04071	0.5
113.02453	2.4
114.05622	0.5
130.08733	0.7
133.03053	0.3
134.03745	1.9
146.06184	0.3
147.18478	0.3
161.02461	0.8
161.04515	0.5
162.03220	80.6
163.03545	2.8
177.05562	100.0
178.05908	2.7
191.05606	0.8
198.19749	0.3
201.70654	0.3
219.79909	0.3
233.25037	0.3
259.87024	0.3
323.16199	0.4
409.24683	0.4
453.22928	0.8
453.30725	0.6
471.11322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03427	0.7
59.01377	3.4
61.90259	0.3
61.98824	1.4
67.05518	1.1
68.99817	1.0
69.03442	0.4
71.01383	2.5
71.41373	0.3
73.02954	0.7
80.02675	0.4
81.03465	1.0
82.95413	0.5
85.02943	1.5
87.60455	0.4
93.03455	0.7
95.05027	9.2
99.00888	0.3
101.02422	1.7
109.02888	0.3
111.04544	0.5
113.02449	1.0
124.01579	0.4
139.04010	100.0
140.04373	2.4
144.97005	0.3
147.03311	0.3
159.27681	0.3
161.04539	1.0
173.04559	0.5
175.02759	1.9
176.03477	4.7
176.85257	0.3
177.03850	3.8
247.67540	0.4
269.10345	0.6
338.08954	1.8
339.09125	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	453.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03440	0.5
59.01374	3.1
61.51143	0.2
61.98829	2.7
67.05533	1.0
68.06361	0.2
68.99825	1.1
69.03448	0.5
69.67025	0.7
71.01379	2.4
73.02949	1.4
81.03459	0.9
82.95422	1.6
83.01382	0.4
85.02951	1.2
87.00871	0.3
89.02453	0.5
92.05061	0.4
93.03451	0.8
95.05021	9.8
96.04564	0.2
96.99926	0.5
98.22562	0.3
99.00840	0.4
101.02448	1.7
102.49731	0.2
111.04544	0.3
111.95365	0.2
113.02457	1.0
113.06241	0.2
114.05619	1.9
115.15302	0.2
119.05009	0.5
120.99632	0.6
124.01653	0.3
139.04010	100.0
140.04401	2.6
145.89334	0.2
154.06979	0.4
157.10835	0.3
159.08298	0.2
161.04572	0.7
163.04022	0.9
173.04570	0.3
191.05592	0.6
198.06013	0.3
269.10349	0.4
372.80475	0.2
436.78204	0.2
453.18655	0.4
454.16577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03433	0.6
59.01378	10.8
61.98822	2.9
67.05526	1.2
68.99809	0.8
69.03449	0.8
70.25018	0.5
70.25344	0.3
71.01378	4.4
71.64989	0.3
73.02941	4.1
80.02679	0.3
81.03463	1.1
83.01389	1.6
83.05032	0.5
85.02954	2.3
87.00875	0.4
89.02419	1.3
93.03458	1.1
95.01372	0.3
95.05023	9.4
97.06570	0.4
99.00851	0.4
101.02434	3.1
102.05853	0.3
103.97435	0.2
107.05047	0.3
109.02956	0.2
111.04493	0.3
113.02441	2.4
113.06091	0.5
117.81445	0.3
119.03487	0.4
121.02950	0.3
121.30098	0.3
124.01638	0.6
125.06094	0.5
135.04472	0.5
137.09741	0.3
138.06847	0.5
139.04010	100.0
140.04361	2.5
149.04723	0.4
151.07657	0.6
152.08450	1.8
153.09187	1.7
161.04546	1.6
161.09729	0.6
163.11301	0.3
165.09230	0.5
166.68326	0.3
173.04573	0.8
177.01955	0.3
177.03865	0.3
187.11241	0.8
191.05585	1.2
192.06015	0.4
193.05972	0.3
231.13831	2.1
249.14993	1.8
256.89236	0.3
269.10229	0.6
291.12369	0.5
339.09140	0.4
357.63541	0.3
375.55676	0.3
393.19556	0.6
435.13046	0.4
453.08374	0.3
454.24387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	0.9
61.98838	1.9
63.20457	0.4
63.84564	0.4
65.15189	0.4
71.01386	4.3
71.43925	0.4
73.02948	1.4
76.76466	0.4
78.28330	0.5
84.93845	0.4
85.02961	1.6
87.00906	0.8
89.02431	2.3
93.03493	1.2
99.92588	3.9
100.93371	0.8
101.02447	2.5
103.00431	0.6
113.02493	1.3
115.92098	1.0
116.92866	11.3
116.93713	0.6
117.92915	0.5
119.03519	1.2
131.91782	0.4
134.03761	0.8
135.04483	0.5
137.02473	0.4
137.09808	0.5
139.04060	0.9
158.93970	1.8
161.04584	0.9
163.96785	0.4
173.04597	0.7
179.65794	0.4
191.05634	0.8
235.97844	0.6
257.12018	0.6
269.14139	1.5
273.11340	1.0
305.04858	0.5
372.18674	0.4
427.64664	0.4
453.05304	0.6
453.16766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1918
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
54.56430	3.0
59.01393	4.1
60.63111	2.8
61.98830	6.0
65.81049	2.6
82.67150	2.5
84.82463	2.7
95.01361	3.7
96.22448	2.4
99.72260	2.6
119.60218	3.4
121.02956	4.1
123.00873	26.2
124.01682	18.9
125.02428	7.8
134.32158	2.8
135.04518	3.2
136.05305	12.7
137.02362	3.1
138.03223	23.8
139.04015	11.8
141.10925	2.8
147.04520	7.5
148.05325	17.0
149.06094	5.8
162.03200	2.5
167.20181	3.0
177.01927	14.0
177.05464	5.5
183.11830	3.4
187.07701	2.7
192.04315	21.4
207.06633	56.8
209.09691	4.0
217.39188	3.0
225.05649	3.2
225.09276	3.5
227.07312	4.3
227.10791	67.4
228.10956	4.8
237.09233	66.6
238.09390	3.9
239.10768	40.8
241.05106	3.6
242.05739	4.3
243.06606	3.6
253.05006	6.3
254.05856	9.9
255.06570	15.1
257.08102	4.0
267.10233	5.2
270.05368	10.4
271.06085	18.8
272.06793	12.0
272.10217	2.7
285.07690	8.4
287.09268	14.5
287.12650	5.4
299.12836	14.9
361.06488	2.7
361.10806	7.8
363.12384	22.6
375.12335	6.2
380.53723	2.7
391.15533	76.5
392.15811	4.7
393.17130	99.5
394.17691	6.3
417.12036	2.8
423.14624	16.9
432.13483	3.0
435.18146	86.3
436.18262	8.9
453.19168	100.0
454.19424	11.1
476.85394	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	453.1918
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
52.33424	1.8
59.01382	3.2
61.98840	3.8
64.38365	2.2
69.98197	4.8
93.03451	2.4
108.01453	3.6
108.02171	48.7
109.02974	21.9
113.76087	1.8
121.02986	2.2
123.04504	5.7
125.87311	4.6
136.05286	8.9
142.87651	3.4
147.04543	2.7
148.05321	11.7
162.03212	28.2
173.04517	2.1
177.05574	61.7
178.05844	2.3
181.10243	3.5
211.07607	8.9
223.07530	2.8
225.09192	4.4
227.07120	6.4
237.09322	2.3
239.07101	5.5
241.08708	3.0
242.05937	2.9
254.05865	11.4
255.06612	33.4
255.09322	3.3
255.10226	2.3
256.07114	3.6
257.08270	18.0
257.11856	39.3
267.10248	38.0
268.10336	2.7
269.08005	3.4
269.08646	3.9
269.11823	38.0
270.12082	2.3
271.09637	2.7
309.90466	2.7
318.03152	4.6
375.12204	6.6
376.13223	4.4
391.15497	77.3
392.15802	6.1
393.17108	100.0
394.17419	6.2
405.16748	3.7
435.18048	93.1
436.18311	4.9
453.19070	20.1
454.12607	2.2
454.18979	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69081	1.9
60.34253	1.8
69.24525	9.8
70.37804	1.7
71.01375	13.3
72.11863	2.0
83.93053	2.0
84.93855	6.7
98.95455	2.3
99.92577	41.7
100.93360	74.8
101.93363	3.7
115.92073	96.6
116.92188	3.6
116.92855	100.0
117.92890	2.4
126.94921	2.1
154.94432	8.0
160.84206	2.5
168.16440	2.1
172.95453	60.2
279.23334	5.3
453.19376	12.0
454.19891	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	453.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01898	1.0
55.14684	1.0
61.98798	1.6
71.10723	0.9
76.43309	1.3
84.47346	1.3
99.00889	1.0
99.92602	6.5
100.93358	42.5
101.93356	1.3
115.92070	100.0
116.92077	2.6
116.92854	10.6
121.57170	1.2
126.70037	1.0
133.38541	1.1
160.84172	1.1
172.95445	7.3
232.00586	1.1
233.54204	1.0
256.10440	1.1
379.15912	1.2
405.17429	1.2
418.04010	2.1
435.18097	2.1
453.19501	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	453.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
56.57402	2.1
59.01379	98.3
60.63433	2.2
61.98832	21.5
69.03469	2.6
71.01381	59.0
73.02948	17.4
85.02955	9.4
87.00896	3.2
89.02444	100.0
93.03448	2.4
95.05040	5.6
97.02957	2.7
99.00865	15.2
101.02438	32.8
112.62502	2.4
113.02460	20.1
119.03517	14.5
125.02471	3.5
126.25910	2.7
131.03510	15.2
133.03009	3.0
138.27275	2.3
139.04016	72.2
143.03479	4.5
146.21628	2.7
149.04555	43.6
161.04539	7.7
173.04544	2.8
176.01158	13.5
177.01912	22.0
179.05638	10.4
191.05620	10.1
221.06653	3.5
251.07765	3.7
261.13419	7.2
291.12442	3.4
339.07159	16.4
393.17670	90.0
394.17844	5.9
453.22421	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	453.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
66.53322	0.2
71.05008	0.3
80.86268	0.2
91.05534	1.1
92.50398	0.2
97.02928	0.3
107.05025	11.3
122.03725	0.8
123.04536	0.4
131.74869	0.2
135.04521	24.5
136.05359	1.7
148.05275	0.4
149.06102	1.1
157.06648	0.4
160.82851	0.2
160.84245	1.3
162.83905	1.7
169.06628	0.2
169.10199	0.3
171.08185	0.5
173.06046	0.7
174.66991	0.2
175.03966	1.5
176.04776	3.4
181.10233	1.1
187.07501	0.5
197.09706	0.9
199.04115	0.3
201.05495	0.3
211.07600	1.0
212.08488	0.6
213.05759	0.3
213.09247	1.9
215.07162	0.8
221.59599	0.2
223.07570	0.3
225.09204	13.6
226.09966	21.4
227.10718	9.0
228.11046	0.4
237.09230	0.5
239.06975	0.2
239.10704	1.3
240.07962	0.3
241.05109	0.4
242.05823	0.7
253.08806	0.3
255.06715	0.4
256.07355	3.9
257.08014	2.8
258.08682	0.4
263.10831	0.3
266.09470	0.6
267.10248	6.6
268.10663	0.2
271.09845	0.3
281.11795	1.1
289.12112	0.3
290.09454	0.8
291.10260	0.5
292.10828	0.3
301.12283	0.3
303.13889	0.6
305.12173	0.3
317.15421	1.0
318.16382	0.5
343.13437	0.4
344.13968	0.4
347.12811	2.6
348.13132	1.8
353.18839	0.7
355.17188	0.3
362.14850	0.3
365.22498	0.3
381.14969	0.6
397.18057	3.3
398.18204	0.4
407.20032	0.6
409.21753	2.0
435.19522	0.9
453.20682	100.0
454.03949	1.1
454.21002	9.5
454.27213	0.5
459.85416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31985	0.3
54.69355	0.3
55.01889	0.3
64.95849	0.3
70.10035	0.5
70.10341	0.3
91.05560	0.5
107.05020	4.5
113.78157	0.3
122.03753	6.3
123.04528	21.3
124.04858	0.4
134.03725	0.5
135.04524	10.7
136.05344	1.8
137.02463	0.8
138.03224	1.1
139.04042	0.5
150.03247	2.5
151.04008	51.6
152.04811	13.5
152.06067	0.6
156.04378	0.3
166.02669	0.9
175.03938	0.6
181.10336	0.4
182.07410	0.6
183.11818	0.4
189.05667	0.7
197.09705	0.5
211.11201	0.6
213.07304	0.5
213.09206	6.1
214.09471	0.4
225.09178	4.3
226.09969	7.4
227.10750	7.7
238.06306	0.5
241.08688	13.5
242.09465	40.2
243.10205	21.6
244.10516	0.7
253.08704	0.9
257.08234	0.4
266.09555	0.5
267.10342	0.4
271.09442	0.4
281.11847	2.1
286.73801	0.3
329.11691	0.4
347.12790	1.2
348.13589	1.8
361.14252	0.4
453.20676	100.0
454.21085	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	453.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52569	0.1
54.25618	0.2
55.01882	0.3
56.97943	0.2
57.26426	0.1
60.68377	0.2
67.47794	0.2
69.84604	0.3
69.84989	0.3
83.78293	0.2
91.05540	0.3
98.21905	0.2
107.02763	0.2
107.05029	3.4
122.03728	0.3
135.04512	6.3
136.05280	0.2
139.93248	0.2
149.06129	0.2
156.22714	0.1
161.06078	1.0
171.08211	0.2
175.03978	4.5
176.04753	0.9
181.10257	0.2
187.07661	0.3
189.05556	9.8
190.06339	7.9
191.06712	0.4
197.09695	0.2
203.03487	3.8
204.04243	2.7
205.05125	1.7
211.07516	0.2
213.09167	0.3
221.04588	0.5
222.95020	0.2
225.09203	2.6
226.09970	6.4
227.10678	1.9
236.03256	0.7
239.10725	0.2
253.12494	0.2
256.07370	0.2
257.08182	0.2
266.09396	1.1
267.10281	1.0
269.11777	0.3
280.10962	0.5
281.11801	100.0
282.12140	5.3
284.84097	0.2
292.46478	0.2
295.09778	1.0
317.15347	0.3
347.12814	0.2
397.18008	0.5
409.21753	0.7
453.20691	19.5
454.21103	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	453.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77695	0.6
59.01376	8.1
59.22853	0.7
60.23457	0.6
61.98829	100.0
69.24792	2.9
71.01382	1.6
73.02967	1.8
82.95463	0.9
85.02958	0.8
87.77166	0.6
89.02448	1.5
93.03446	1.0
101.02454	1.2
113.02429	1.1
114.05636	1.1
119.03496	0.7
134.88406	0.6
139.04066	0.8
145.55946	0.7
155.03508	0.7
161.02464	1.6
191.05606	0.9
273.07861	1.9
279.69635	0.7
334.15466	0.7
418.22565	2.5
453.16925	1.0
454.24734	2.7
476.66394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97842	1.7
59.01376	8.5
61.98828	100.0
69.03455	2.0
69.14755	7.0
69.15169	1.9
71.01385	4.1
71.64851	1.5
73.02946	1.6
93.03453	1.7
101.02420	2.4
113.02435	14.9
125.02486	1.9
127.06585	1.6
132.05801	16.7
132.07378	1.5
132.96890	1.7
136.01663	4.3
151.04007	7.5
164.04732	2.1
187.11281	24.5
191.05602	4.7
231.10243	49.2
232.10541	1.8
357.13388	6.1
453.22037	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	453.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	48.5
69.21968	46.7
69.22367	100.0
74.23935	20.3
75.36470	23.6
76.34185	23.6
78.57082	21.7
115.92027	25.7
137.55106	24.7
164.46460	23.7
171.13913	37.8
193.05179	26.1
195.30995	22.2
198.62578	21.3
426.37891	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87993	36.0
61.98813	68.8
62.13267	39.1
62.52832	37.7
63.45767	35.0
69.81078	100.0
69.81468	75.7
82.23344	37.3
82.30692	35.9
82.47209	37.6
95.26608	35.6
98.22583	58.1
184.88622	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18320	23.2
89.57449	20.7
102.52782	21.1
105.14449	21.8
125.90993	28.5
142.05093	100.0
150.15909	19.9
177.05545	44.1
301.23172	23.2
393.16901	27.5
435.17953	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73309	10.4
52.62784	11.7
70.52023	23.7
71.01353	12.4
104.59635	9.6
113.52114	11.3
126.28205	10.7
236.07027	10.5
255.23285	100.0
304.89325	11.1
405.53403	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	453.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63943	44.1
61.98823	63.5
75.44492	58.6
94.12261	50.5
107.26435	51.9
111.19099	45.3
160.84238	100.0
162.83983	87.1
171.64442	48.5
194.48331	57.3
196.96844	50.8
216.54184	48.0
309.09158	57.7
424.97012	54.7
454.03702	67.5
457.66403	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3374
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.79484	0.7
61.98807	0.6
70.17236	1.5
116.92868	0.6
160.75159	0.7
191.76555	0.7
227.23773	0.7
227.43137	0.7
453.33722	100.0
454.34082	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	454.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	29.0
61.98830	100.0
69.36850	35.7
70.68373	8.6
71.01363	34.8
73.02937	15.5
75.20170	9.8
85.02937	16.9
88.98794	19.9
98.22623	19.3
101.02433	28.6
107.05025	69.1
113.02441	32.4
126.76423	8.1
133.02930	10.1
133.04994	12.1
139.04021	22.5
153.01945	9.9
157.92108	8.3
161.04558	10.8
177.01884	35.8
212.04987	8.1
266.15710	8.2
293.09909	9.8
341.08838	74.8
352.25021	8.5
404.16913	79.4
455.15875	17.2
470.15912	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	454.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60048	2.2
57.48385	1.8
59.01378	100.0
61.76426	2.3
61.98824	17.1
71.01377	14.2
71.43385	2.4
73.02950	14.2
74.01415	1.9
76.93150	1.8
83.01382	4.9
85.02936	2.9
87.17674	2.1
89.02428	5.9
92.05043	4.9
101.02450	19.7
113.02438	12.1
119.03480	3.1
135.04491	7.5
136.03987	3.1
137.09679	4.0
139.04108	2.8
155.11031	2.1
161.04494	9.5
179.03458	4.5
454.24432	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	454.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27790	4.2
59.01378	100.0
61.98819	16.8
71.01380	18.3
73.02939	30.3
89.02444	7.9
98.22674	10.3
101.02432	23.5
113.02419	13.3
119.03476	6.0
137.09694	5.9
161.04512	11.2
191.05573	4.0
217.75017	4.5
221.06740	4.4
243.14963	3.7
269.17999	4.0
432.34808	3.9
454.19830	4.7
465.39102	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	454.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74731	2.6
56.74503	2.3
59.01376	100.0
61.98826	24.9
66.96785	2.3
69.21116	13.2
71.01373	16.6
73.02938	19.8
83.01380	5.9
85.02944	3.5
87.85026	2.4
89.02448	10.4
93.03455	6.3
96.96002	3.2
98.22593	6.1
101.02435	21.5
103.00287	2.5
104.51131	2.4
113.02428	15.3
114.02836	2.6
119.03531	5.2
135.04544	10.4
137.09689	4.2
139.04005	6.2
149.48987	2.9
161.04547	9.2
179.03461	11.6
235.72475	3.1
273.03278	2.5
341.08801	6.7
409.25220	2.5
454.24515	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.91172	0.5
65.50408	0.6
74.32022	0.5
74.82076	0.5
127.87053	2.7
142.05133	2.3
144.87311	1.0
177.37349	0.5
349.14429	0.8
416.10608	1.3
417.10995	0.6
418.10867	1.2
454.07870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95083	0.2
61.98829	100.0
88.54803	0.2
89.41380	0.2
98.22636	0.5
102.16439	0.2
143.09714	0.2
255.29234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.9817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24952	1.4
53.35791	1.5
59.01378	30.7
69.03447	3.1
70.04681	3.8
71.01381	24.5
73.02953	4.9
83.01377	3.5
85.02934	8.9
87.00880	5.7
87.04510	5.7
89.02445	20.1
97.02929	3.8
101.02447	16.5
107.05010	4.2
113.02438	15.3
115.04013	9.7
118.96655	3.5
119.03512	8.3
131.03503	11.6
137.02554	1.8
143.03516	14.3
152.91747	9.5
158.99744	5.2
159.02954	9.7
159.04250	1.6
160.97694	4.0
161.04565	10.5
161.06058	2.6
170.99767	6.1
171.01279	1.5
179.05591	25.8
186.99239	15.2
187.04561	3.8
188.04759	2.3
189.05606	13.9
201.00882	11.2
205.08748	2.2
211.02855	3.9
213.00792	3.8
213.02550	1.9
214.98758	5.0
221.06487	2.3
222.95947	5.0
225.06125	1.9
229.00426	2.4
232.96541	3.8
233.04601	14.0
234.94420	2.6
239.02574	2.7
241.02063	2.5
248.96173	1.8
256.99768	2.8
260.96008	5.5
270.94489	4.8
274.97568	16.7
284.96085	4.9
284.99445	1.9
286.97577	5.9
288.95438	2.2
293.06674	5.7
294.94455	14.6
297.04822	2.3
298.93927	10.2
300.99222	10.5
302.97128	19.5
304.98495	3.0
308.96136	6.1
308.99258	1.9
310.97537	16.7
312.95554	12.4
312.99255	6.6
313.02518	2.0
314.97116	5.6
324.99106	2.0
328.98676	4.7
330.96603	6.3
331.00336	2.4
332.98135	5.8
338.97079	88.1
339.97412	2.7
340.98294	13.5
341.11047	33.6
343.00293	9.0
345.01672	3.7
352.98801	4.2
355.00159	12.7
357.01489	2.7
370.99652	11.1
373.01343	7.4
380.98239	11.4
382.99741	15.5
394.96069	100.0
395.96399	6.7
398.99301	8.2
401.00745	38.5
402.00998	2.6
454.98221	78.8
455.03546	5.6
455.11911	3.5
455.98801	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	454.9818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21096	1.6
55.71918	1.5
59.01375	18.1
69.03448	2.7
71.01378	13.4
71.38825	1.7
73.02935	4.8
74.83100	1.5
78.71829	1.3
79.38920	1.5
83.01380	1.9
85.02956	9.4
87.00887	2.4
87.04510	7.1
89.02448	13.2
89.17139	1.4
95.01340	1.5
101.02460	12.5
101.34428	1.7
107.05038	11.2
113.02430	13.7
115.04017	12.3
119.03487	6.8
119.04305	1.5
130.08749	3.3
131.03517	8.4
142.96652	2.6
143.03481	9.2
152.91737	4.7
158.99742	6.0
159.02982	20.5
160.97656	3.1
161.04552	6.5
170.99736	7.1
173.04633	2.1
179.05582	12.4
186.99231	14.1
187.04634	5.1
188.04605	2.0
189.05597	2.7
201.00835	8.6
211.02904	4.0
213.00848	2.8
213.02673	2.7
214.98724	6.4
220.17416	1.5
221.06592	2.0
222.96414	2.5
227.02315	3.5
232.96567	3.9
233.04562	4.8
239.02338	2.7
241.02016	5.3
251.02414	1.9
256.96692	1.9
256.99844	2.6
259.12271	2.5
260.95901	3.8
270.94473	6.3
274.97540	14.8
282.98181	2.0
284.96194	7.3
284.99155	1.8
286.97601	2.3
288.95743	2.1
293.06601	2.5
294.94885	10.2
298.94092	10.1
300.99149	6.3
302.97076	20.1
304.98654	2.4
308.96185	3.5
310.97598	15.8
312.09363	4.5
312.95526	15.6
312.99182	8.3
313.02313	2.2
313.09653	2.7
314.97101	6.1
320.96127	1.8
327.00638	1.9
328.98663	4.6
330.96671	3.6
332.98163	7.3
338.97107	75.3
339.97418	2.7
340.98596	13.4
341.07770	1.6
341.11475	16.7
342.99969	10.8
345.01886	3.4
350.97293	3.0
352.98563	4.9
355.00333	9.7
357.01553	4.3
370.99728	10.5
373.01398	5.1
380.98166	10.2
382.99850	15.7
394.96042	100.0
395.08597	3.3
395.96332	5.9
398.99319	7.9
401.00711	29.7
411.06284	5.7
436.97012	2.8
454.98178	71.7
455.03845	4.5
455.11642	2.5
455.98489	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	455.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01377	3.9
61.98828	4.1
69.18119	0.5
69.18521	0.7
71.01377	1.7
73.02948	0.8
82.86543	0.2
83.01393	0.2
84.93846	1.0
85.02948	0.8
85.15460	0.2
87.00891	0.3
89.02435	1.3
93.03458	0.6
95.00501	0.2
96.96008	0.8
99.00871	0.7
99.92584	10.3
100.92666	0.6
100.93359	10.0
101.02431	1.5
101.93385	0.3
103.00369	0.5
107.05026	0.7
108.02201	0.5
109.02956	1.5
113.02431	0.9
115.92078	14.3
116.92859	100.0
117.92871	3.7
117.93630	0.3
119.03500	0.2
119.05016	0.3
125.02467	0.3
125.09721	0.2
131.03539	0.3
134.03749	0.7
135.04524	22.6
137.02451	0.4
139.04008	0.6
140.92865	0.8
141.93622	0.6
142.94456	1.1
149.04562	0.4
151.00517	0.2
152.01144	0.5
153.01907	1.4
153.05574	0.2
156.92360	0.6
158.93988	0.5
161.04510	0.3
163.03995	0.3
167.95204	0.2
169.93233	0.3
170.93954	0.3
173.92537	0.3
177.01987	0.2
179.03497	30.4
180.03856	0.7
183.94684	0.3
184.91835	1.7
186.93326	0.4
187.07713	0.2
191.05644	0.3
196.95494	0.5
222.70139	0.2
228.87489	0.2
245.08014	0.2
251.00319	0.2
292.53192	0.4
305.12512	0.2
307.78775	0.2
333.00833	0.8
334.01218	0.3
341.08752	4.0
351.01840	2.2
352.02347	0.5
369.02829	3.0
370.02902	0.3
373.55630	0.5
381.02887	0.5
392.21152	0.3
393.02682	1.5
394.18124	0.3
411.03867	3.6
412.03644	0.3
419.01062	1.1
454.20410	0.7
455.02887	9.6
455.11905	0.4
455.20358	0.8
456.03094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01377	3.9
61.98828	4.1
69.18119	0.5
69.18521	0.7
71.01377	1.7
73.02948	0.8
82.86543	0.2
83.01393	0.2
84.93846	1.0
85.02948	0.8
85.15460	0.2
87.00891	0.3
89.02435	1.3
93.03458	0.6
95.00501	0.2
96.96008	0.8
99.00871	0.7
99.92584	10.3
100.92666	0.6
100.93359	10.0
101.02431	1.5
101.93385	0.3
103.00369	0.5
107.05026	0.7
108.02201	0.5
109.02956	1.5
113.02431	0.9
115.92078	14.3
116.92859	100.0
117.92871	3.7
117.93630	0.3
119.03500	0.2
119.05016	0.3
125.02467	0.3
125.09721	0.2
131.03539	0.3
134.03749	0.7
135.04524	22.6
137.02451	0.4
139.04008	0.6
140.92865	0.8
141.93622	0.6
142.94456	1.1
149.04562	0.4
151.00517	0.2
152.01144	0.5
153.01907	1.4
153.05574	0.2
156.92360	0.6
158.93988	0.5
161.04510	0.3
163.03995	0.3
167.95204	0.2
169.93233	0.3
170.93954	0.3
173.92537	0.3
177.01987	0.2
179.03497	30.4
180.03856	0.7
183.94684	0.3
184.91835	1.7
186.93326	0.4
187.07713	0.2
191.05644	0.3
196.95494	0.5
222.70139	0.2
228.87489	0.2
245.08014	0.2
251.00319	0.2
292.53192	0.4
305.12512	0.2
307.78775	0.2
333.00833	0.8
334.01218	0.3
341.08752	4.0
351.01840	2.2
352.02347	0.5
369.02829	3.0
370.02902	0.3
373.55630	0.5
381.02887	0.5
392.21152	0.3
393.02682	1.5
394.18124	0.3
411.03867	3.6
412.03644	0.3
419.01062	1.1
454.20410	0.7
455.02887	9.6
455.11905	0.4
455.20358	0.8
456.03094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03433	1.2
57.48906	0.8
59.01379	14.9
61.98828	5.2
69.03445	6.2
70.27821	0.7
71.01379	37.3
71.41940	0.7
72.01741	0.8
73.02945	13.8
78.95909	3.0
81.03461	0.9
83.01381	3.7
85.02948	15.6
87.00873	1.6
88.98788	2.8
89.02429	5.2
93.03453	3.2
95.01379	3.3
96.96012	1.4
96.96962	4.7
97.02925	1.6
98.00079	0.8
99.00876	4.8
101.01785	1.6
101.02438	21.8
101.03101	1.4
106.04218	4.6
107.05026	84.9
108.05386	1.9
109.02959	0.9
113.02447	43.9
114.02807	1.0
115.03922	0.8
119.03459	1.7
119.05009	1.7
123.04523	1.4
125.02435	0.8
129.01871	1.0
135.04504	8.3
143.03465	0.7
149.06026	1.1
151.04001	2.0
159.02989	2.5
159.67761	0.7
161.02524	0.8
161.04564	11.6
161.05911	1.5
163.04010	1.1
177.01898	1.1
177.09216	1.9
179.03491	7.8
179.05672	1.8
189.05365	0.7
191.05574	1.1
205.08691	1.3
221.08363	1.1
231.06602	0.9
237.07701	0.8
293.06573	1.4
341.08737	100.0
342.09030	4.9
349.63654	0.8
455.11856	13.8
456.12570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93899	0.8
55.01865	2.2
57.03438	2.1
59.01374	10.9
61.98827	6.1
69.03452	7.9
69.57826	1.5
69.58213	1.4
71.01376	36.5
73.02555	1.2
73.02940	14.2
78.95905	1.8
82.00111	0.9
83.01391	4.5
85.02943	20.2
87.00887	2.0
89.02451	4.1
93.03456	4.2
95.01356	2.9
95.04980	1.0
96.96970	1.8
97.02937	2.6
98.00076	0.9
99.00863	4.3
101.02435	23.4
106.04225	5.5
107.05022	98.1
108.05357	2.6
109.02923	0.9
113.02444	44.1
115.03976	0.9
119.05016	1.0
121.02922	1.1
123.04521	1.8
133.02946	5.6
133.05058	2.7
135.04517	11.6
139.03992	1.5
141.01936	1.1
141.05565	1.2
143.03401	1.3
149.06068	1.5
151.03976	3.6
159.02963	3.2
161.04558	16.0
161.06010	1.4
177.01907	25.4
178.02170	0.9
179.03452	11.0
179.04996	1.1
179.05690	0.9
189.05533	3.6
191.05569	1.6
205.12442	0.9
231.10162	2.5
249.07556	1.1
249.11253	3.1
275.09155	1.8
279.10901	0.8
293.07224	0.8
293.10336	4.3
341.08728	100.0
342.09058	7.4
444.20490	0.9
455.11731	11.6
455.16318	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.79917	0.8
57.03450	1.7
59.01376	10.1
69.03450	8.9
69.63114	3.0
71.01377	36.4
73.02942	13.7
83.01397	3.7
85.02948	16.9
87.00864	1.2
88.73241	0.9
89.02456	2.0
93.03457	4.8
95.01373	2.4
97.02974	1.4
98.22593	1.1
99.00887	3.5
99.89981	0.8
101.02428	21.1
106.04239	5.2
107.05026	98.0
108.05340	2.1
113.02445	43.7
135.04517	8.2
143.03497	1.3
151.03998	1.6
159.02991	2.7
161.04547	13.1
163.03888	0.9
179.03497	6.9
249.07632	1.1
341.08746	100.0
342.09030	4.7
455.11606	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	455.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68867	0.6
59.01375	5.4
59.43291	0.6
60.07692	0.6
61.98821	2.9
67.66856	0.6
69.36387	3.3
71.01376	1.5
72.20274	0.6
73.02934	1.1
84.95113	0.8
85.02956	1.2
87.00880	3.6
87.01324	0.6
89.02453	0.8
101.02419	1.9
104.36750	0.7
107.05024	1.8
112.43669	0.6
113.02477	1.9
133.02998	1.0
134.03766	2.0
135.04524	100.0
136.04861	2.5
144.51260	0.6
170.86909	0.7
178.02727	1.1
179.03490	80.1
180.03827	1.8
193.04947	0.7
205.08786	0.9
224.58032	0.7
233.08304	0.8
249.11401	1.4
263.14911	1.0
293.10358	1.2
297.09677	0.8
341.08743	45.2
342.08945	1.9
395.19446	1.5
455.15781	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	455.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
57.03432	2.4
59.01373	10.9
60.99315	2.1
61.98823	8.1
69.03449	9.3
71.01380	35.8
71.63107	1.0
73.02942	12.9
73.29384	0.9
80.16110	0.9
80.82024	1.0
82.95411	1.9
83.01402	4.8
83.01830	1.0
84.93739	0.9
85.02950	18.1
87.00864	1.4
88.98801	12.0
89.02460	4.6
93.03461	4.4
95.01393	3.3
96.96012	12.7
96.96964	1.3
97.02963	1.4
97.06583	1.9
99.00880	4.8
99.92592	1.2
100.92628	1.0
101.02439	19.8
106.04234	6.2
107.05029	99.5
108.05362	1.9
109.03004	1.4
113.02448	42.0
114.02797	1.2
116.92854	1.3
119.03461	1.0
119.05028	2.0
121.02968	2.1
121.06562	1.2
123.04568	1.7
133.02989	4.1
134.03754	2.3
135.04521	10.8
135.79932	0.9
141.05591	2.2
149.06082	2.6
151.04007	1.7
159.03014	4.4
161.02539	1.2
161.04561	13.5
161.05904	1.7
175.07631	1.3
179.03479	8.9
191.05586	3.0
193.45709	0.9
205.12321	1.3
231.06525	1.1
231.10289	3.0
249.11319	4.1
275.09180	1.6
293.10269	4.4
341.08737	100.0
342.09210	6.4
373.10205	1.4
455.11368	8.0
455.15826	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33386	0.6
54.99244	0.8
56.58605	0.8
57.03426	0.8
58.00575	0.7
59.01376	61.8
62.43904	0.6
71.01378	41.9
71.09023	0.9
72.99304	0.8
73.02930	1.2
83.01386	1.1
85.02940	5.3
87.00868	8.9
87.36841	0.7
89.02441	56.3
90.02778	1.0
95.01383	1.9
96.95989	1.0
101.02440	20.5
113.02444	18.6
115.51965	0.7
119.03500	20.0
120.00757	0.7
131.03516	2.1
143.03490	3.9
149.04514	1.7
155.32646	0.7
161.04610	4.0
162.77635	0.7
179.05603	19.4
191.05695	1.0
200.46942	0.8
341.10852	100.0
342.11212	5.7
368.20959	1.1
412.23267	1.3
455.05103	1.0
455.14145	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	11.6
59.01377	100.0
59.34571	10.4
61.98820	31.7
69.09426	63.6
71.01388	24.6
73.02969	22.4
85.02941	14.3
96.13572	10.8
101.02414	13.8
113.02456	15.9
122.74911	10.3
171.10275	25.9
209.11977	12.3
218.51555	9.4
225.00194	9.9
386.24472	10.0
423.40390	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	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54393	2.8
59.01377	100.0
61.98835	17.3
71.01384	33.5
73.02946	70.7
80.52525	2.8
82.95419	94.4
83.01373	17.6
85.02947	14.4
87.00830	5.7
89.02434	12.0
89.99828	3.0
93.03462	14.0
101.02444	53.1
108.94316	2.6
109.02934	4.0
113.02447	22.8
119.03508	6.7
120.01261	19.5
121.02928	12.4
121.03739	3.1
125.02438	4.9
129.07091	7.3
129.32274	3.2
131.03471	4.8
133.02940	5.9
135.04495	9.9
143.03499	6.6
149.04552	6.9
153.01933	3.6
155.03490	5.6
161.02470	22.4
161.04520	15.7
173.04593	15.1
176.03922	3.3
179.03468	7.8
189.09200	19.9
191.05615	54.2
191.10831	6.7
229.01445	5.2
249.06128	8.2
313.10907	3.8
333.01291	4.6
342.17560	3.2
357.09808	6.8
371.09631	7.4
373.10297	5.8
383.07651	11.1
395.06714	9.4
411.16763	3.0
447.22202	3.4
455.02716	4.5
455.11026	10.1
455.19135	11.4
455.24881	12.3
456.17145	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	455.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.1
61.98822	0.6
64.89226	0.5
69.03439	2.4
71.01361	0.7
85.02953	0.7
101.02435	0.6
103.42645	0.5
113.02448	14.4
146.03728	34.3
161.04715	1.1
161.06058	12.5
162.06477	0.7
163.03978	0.8
164.04773	25.4
165.05109	0.6
179.07121	100.0
180.07492	2.8
255.20795	0.5
320.43359	0.6
347.93188	0.5
348.05725	0.6
378.45474	0.6
380.83023	0.7
412.56723	0.6
436.99814	0.6
449.02225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47686	0.4
59.01369	2.0
61.98824	1.0
69.03444	3.0
69.70741	1.7
71.01367	0.9
72.67000	0.4
85.02955	0.5
98.21936	1.1
106.09689	0.5
113.02441	13.3
115.16167	0.5
117.08471	0.4
135.04498	0.9
146.03735	34.2
147.04404	1.1
161.04721	0.9
161.06082	11.0
164.04785	24.0
165.05067	0.6
179.07124	100.0
180.07402	2.3
190.33469	0.4
191.98933	0.4
296.14099	0.5
347.42163	0.5
356.44345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72031	0.3
59.01125	0.3
59.01371	1.8
63.03755	0.2
64.41166	0.2
69.03453	3.0
70.79557	0.3
71.01376	0.9
85.02953	0.6
85.88723	0.2
89.02420	0.3
93.03448	0.2
98.00089	0.3
101.02454	0.4
113.02443	16.1
135.04503	2.3
145.02914	0.8
146.03728	38.6
147.04207	1.1
161.04686	0.5
161.06065	13.9
162.06410	0.4
163.03987	0.7
164.04781	27.5
165.05138	0.6
177.31639	0.3
179.07121	100.0
180.07469	3.4
191.05521	0.5
201.85933	0.3
297.09698	0.4
306.27133	0.3
315.29916	0.2
395.19089	0.4
454.33597	0.5
482.63202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
70.49036	2.8
71.01376	24.0
73.02943	80.9
78.72372	1.7
83.01383	13.2
85.02953	3.5
89.02433	9.4
101.02441	51.1
104.73576	2.0
113.02448	12.9
115.97487	2.1
116.92866	6.4
119.03477	6.0
131.03468	3.6
143.03523	5.7
149.04572	11.2
161.02448	2.7
161.04549	21.3
191.05649	5.9
192.67357	1.9
203.59738	2.1
209.34207	2.2
221.06659	4.3
283.42123	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	455.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03426	2.8
57.33911	0.9
59.01373	20.9
61.98823	2.0
62.38248	0.9
67.86491	1.0
69.40038	1.3
69.40357	5.1
71.01374	17.4
72.99300	5.1
73.02932	2.0
75.00480	1.4
75.00874	23.1
85.02950	23.9
87.00871	8.4
89.02439	3.3
95.01382	4.7
99.00875	16.1
101.06078	44.0
101.06757	2.2
103.00370	4.1
103.91997	3.0
113.02447	35.1
115.00358	3.0
117.01929	4.1
121.02951	100.0
122.03290	1.9
127.87030	3.0
129.01915	3.2
144.87274	2.1
157.01376	1.6
162.89418	1.2
175.02481	3.7
193.03448	1.5
218.45454	0.9
231.05084	3.0
249.06133	7.9
283.06421	3.1
319.03543	1.9
320.02893	2.7
321.03140	1.8
333.11835	4.3
353.08765	2.9
371.09839	5.8
381.13635	1.3
417.11337	3.9
419.10904	4.8
437.14630	1.1
455.15543	80.0
456.15750	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	455.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
59.01376	100.0
62.99523	1.4
67.28452	1.7
69.92626	1.4
71.01381	23.2
73.02943	67.1
83.01392	13.0
85.02967	4.0
85.54642	1.5
87.00869	2.1
89.02451	10.9
98.21857	5.8
101.02445	50.6
113.02453	14.5
119.03476	5.6
125.02436	2.9
125.81049	1.8
131.03488	5.3
143.03487	5.0
149.04562	9.0
152.63162	1.6
155.03436	1.5
155.07310	1.5
161.04559	16.4
191.05519	1.9
203.05600	3.6
221.06670	2.0
233.15543	2.0
263.65588	2.0
455.22906	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03434	1.4
59.01378	100.0
61.98817	1.2
69.03432	1.1
70.09458	1.3
70.09800	2.0
71.01381	24.1
73.02945	48.4
83.01375	11.5
85.02953	5.9
87.00869	1.3
89.02443	7.2
95.01374	1.2
97.06592	1.1
99.92596	2.5
101.02438	39.9
101.03105	2.1
101.92405	1.5
112.70310	0.8
113.02438	10.8
116.92867	10.1
117.92902	6.9
118.92653	7.8
118.93338	0.8
119.03440	4.6
121.03000	1.6
121.18011	0.9
125.02473	1.6
131.03511	2.6
135.04546	1.4
139.25676	1.1
143.03468	3.6
149.04565	5.5
160.93904	1.0
161.04558	14.5
190.33000	0.9
196.26723	1.0
221.06593	2.8
284.62881	1.0
307.17615	8.2
325.04660	0.9
345.30020	0.9
455.05087	2.3
455.19061	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	455.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68378	10.7
53.08022	11.4
59.01362	23.6
61.18423	10.6
61.98831	15.4
69.03449	17.4
69.44325	32.0
69.44718	17.7
80.60612	10.4
82.64996	11.6
92.89572	11.5
97.02941	100.0
98.22701	13.5
103.01479	19.2
125.87315	33.9
127.87011	31.8
142.05092	41.9
152.30519	10.5
157.15353	10.9
157.86331	19.0
159.86003	12.0
167.10847	10.7
175.02704	11.6
186.88429	14.0
212.73686	10.6
227.07072	14.0
230.09761	10.6
232.55644	11.3
327.33353	13.1
349.14398	45.3
355.29211	11.0
356.88895	11.6
415.88730	12.3
455.18643	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	0.7
61.98833	0.9
65.83987	0.4
69.17982	1.8
73.02972	0.4
87.50244	0.3
101.02515	0.4
104.02693	0.4
118.06284	0.3
129.10361	0.4
130.04231	0.6
130.08797	0.9
145.02956	0.6
145.10307	0.5
155.08627	0.4
157.06590	0.8
173.04625	0.5
173.09724	0.8
191.10785	37.2
192.11166	1.2
373.13419	0.3
455.25134	0.5
455.32739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21587	6.8
71.01374	12.9
74.13332	1.2
84.93858	4.8
88.77524	1.2
99.92587	35.9
100.93361	56.9
101.93367	2.0
115.92078	94.1
116.92861	100.0
117.92857	2.7
117.93615	1.8
126.94883	1.5
128.27415	1.4
137.27596	1.3
144.95969	3.4
154.94414	8.7
160.55632	1.4
172.95468	26.4
232.02292	1.2
250.55319	1.5
281.24741	7.2
382.10742	2.2
383.10117	2.8
455.21167	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	455.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47701	44.0
119.23986	49.0
139.88626	50.8
224.16458	100.0
297.97614	48.5
368.31290	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43739	0.2
60.71318	0.2
69.62663	0.2
70.63258	0.3
112.42653	0.2
143.64902	0.2
145.19073	0.2
168.47075	0.2
175.43102	0.2
210.18272	0.2
263.88535	0.2
319.15314	0.2
326.52356	0.3
403.52609	0.3
417.21765	0.3
429.77579	0.2
455.35297	100.0
456.35654	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	455.353
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
68.99461	0.5
71.84924	0.6
96.85033	0.5
102.70114	0.5
156.51222	0.7
157.60942	0.6
162.83989	0.6
255.23329	0.7
268.82584	0.7
385.35193	0.6
419.04007	0.6
455.35287	100.0
456.35773	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	456.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06351	0.4
56.86480	0.4
59.01373	1.6
60.82589	0.3
69.03448	0.6
71.01369	0.9
72.00906	4.2
74.02469	4.8
79.11058	0.4
85.02918	0.6
93.03447	10.5
94.09363	0.4
101.35270	0.4
103.00359	0.9
106.04231	2.3
107.05011	2.0
113.02448	2.9
119.05017	7.8
125.02424	0.7
131.08229	0.5
134.06114	0.7
135.04457	0.7
136.07652	1.3
163.02686	0.7
163.03995	9.9
164.04427	0.5
171.07864	0.4
180.06645	100.0
181.07022	3.0
191.05589	3.6
212.03198	0.7
325.00613	0.4
342.11890	29.1
343.12222	1.1
367.10239	0.6
375.07010	0.9
456.14938	0.8
456.20767	0.5
456.28964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.97102	0.3
65.82608	0.3
68.87234	0.3
69.21912	1.7
71.01383	2.1
73.02928	0.4
74.99088	2.4
77.95621	0.3
85.02949	0.9
86.02447	0.3
89.02427	0.5
95.30439	0.3
96.53014	0.3
98.22591	0.7
101.02419	1.8
105.34009	0.3
113.02450	1.0
120.01255	100.0
121.01617	0.6
161.04578	2.7
196.24208	0.3
207.08469	3.5
265.19644	0.3
294.11755	0.7
341.31863	0.3
456.16968	28.4
457.17355	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	456.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	62.0
69.07844	51.1
81.70927	44.5
85.34579	51.7
127.87008	73.9
129.86752	56.2
186.14946	50.7
212.19638	59.0
213.48840	66.8
217.00252	100.0
218.12720	49.4
287.91064	55.1
374.99203	80.3
445.14761	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38050	13.5
54.01678	15.9
57.35524	14.5
59.01390	28.3
61.98829	31.4
67.74835	15.7
69.25861	27.2
69.26260	63.8
74.51610	14.3
97.80684	17.4
127.87022	43.6
140.56332	15.8
144.87276	45.4
161.06105	15.2
217.00296	34.5
225.41429	15.5
249.84695	16.9
310.78201	16.4
315.12329	23.1
354.32370	16.9
420.12482	21.5
421.16739	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	456.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64115	0.7
59.01378	100.0
60.01726	1.2
61.98830	2.8
69.11812	4.4
71.01377	11.1
73.02944	7.1
74.68475	0.7
79.45880	0.7
83.01398	2.5
85.02943	5.1
87.00888	1.4
89.02445	5.2
93.03467	2.0
95.01393	0.8
96.96002	0.8
101.02444	7.7
111.43761	0.6
113.02452	6.6
117.03046	0.7
119.03531	2.1
121.03002	0.7
135.04459	0.7
139.04080	0.9
143.03549	0.8
159.03036	1.1
161.04558	2.8
173.04601	1.6
173.36874	0.7
179.03484	0.7
179.05687	1.2
191.05629	4.2
295.11969	0.8
299.01111	0.9
397.22458	2.4
415.23474	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98835	39.6
69.26357	31.1
71.01385	13.7
73.02950	5.9
85.57821	5.8
89.02429	7.7
94.81882	5.8
101.02459	7.0
113.02438	14.3
114.05573	10.5
139.04022	8.2
148.79485	5.3
161.04491	6.8
191.05598	8.8
222.15674	6.4
254.44002	6.4
272.46506	7.0
442.64987	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	456.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39639	18.1
59.01377	100.0
69.44908	38.4
69.45296	46.2
79.76926	17.1
83.50757	19.3
83.62268	17.7
98.22530	36.9
140.53326	20.0
151.34717	17.6
203.10780	30.5
204.11092	37.7
279.11337	18.4
364.78683	19.7
456.15866	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53589	1.1
59.01377	100.0
71.01382	7.8
73.02948	6.7
73.85430	1.4
80.87656	1.6
85.02953	3.5
89.02452	3.1
93.03425	1.7
101.02436	6.5
113.02439	4.5
114.79532	1.3
119.56628	1.2
161.04497	2.6
169.67105	1.5
169.87714	1.4
173.04515	1.4
191.05591	3.3
207.17451	1.4
322.38602	1.4
348.93607	1.5
371.20587	3.0
413.21320	2.3
457.28265	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	456.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23653	4.0
56.55433	3.9
59.01376	100.0
61.98819	17.2
66.74844	4.2
71.01395	11.5
71.09831	5.3
73.02948	15.4
73.93829	4.6
85.02936	5.9
93.03469	5.7
101.02430	13.5
111.12794	3.9
113.02457	10.3
132.43422	3.7
134.42421	4.7
151.04002	10.0
191.05623	17.5
217.00342	5.8
257.08270	8.2
476.75125	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97367	4.7
59.01380	64.3
61.98828	100.0
64.58694	5.4
70.35257	8.9
71.01373	9.3
89.02425	6.5
93.03426	5.8
96.80431	4.7
101.02404	8.6
104.61569	4.9
120.99590	5.8
128.42183	5.3
130.08682	7.4
133.02966	8.2
135.04518	5.8
147.58777	5.2
151.04027	5.8
161.02486	8.8
163.15529	5.7
173.04596	8.6
185.51234	4.2
191.05568	10.0
217.00230	5.2
251.12859	11.3
310.00049	5.0
363.08975	5.3
370.23459	6.5
418.22250	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	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
60.99302	15.3
61.98821	2.3
67.01882	1.7
68.20393	0.7
69.49076	3.1
71.01379	7.0
73.02947	1.1
74.02467	2.7
75.36356	1.1
78.95914	0.9
83.05044	0.9
85.06578	0.9
87.00867	6.0
88.04032	4.3
88.98802	100.0
89.02448	1.1
93.03452	8.3
96.04571	0.7
96.97000	1.0
104.45390	0.7
111.04521	3.2
115.00385	4.8
118.98084	1.3
129.05577	18.9
129.10330	5.9
130.05923	3.0
130.08745	1.8
132.03032	3.1
134.03752	5.4
137.02452	1.7
137.06071	1.7
139.27309	0.9
146.26033	0.8
155.03505	1.5
165.06654	0.8
173.04547	34.0
191.05646	4.0
193.05016	5.5
193.13368	2.0
210.16100	1.8
211.14540	1.1
228.17242	1.4
239.18343	0.8
244.26135	0.7
255.03102	0.8
262.94012	1.1
285.17136	0.8
323.24344	3.9
341.25473	3.0
342.23941	4.0
367.10400	9.1
368.10541	1.1
370.14420	0.9
457.00375	1.4
457.14023	3.2
457.26642	15.2
458.15823	2.7
458.26636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03457	1.1
59.01378	49.8
60.01687	0.7
61.98828	2.6
63.80582	0.7
67.38115	0.8
69.03453	1.5
69.66871	1.2
69.67258	1.5
71.01013	1.3
71.01378	17.5
72.99309	0.8
73.02939	1.9
83.01397	2.1
85.02947	5.0
87.00886	1.1
89.02448	20.0
93.03457	14.0
95.01376	1.2
98.22679	0.8
99.04499	0.7
101.02441	15.2
108.02185	0.7
109.02965	2.3
111.85178	0.8
112.96214	0.7
113.02450	12.8
113.03172	1.3
117.11885	0.7
118.92725	0.7
119.03511	8.4
119.04913	0.6
130.08649	0.7
131.03525	0.7
135.04512	0.7
136.01698	0.8
137.02438	30.2
137.06039	1.8
138.02763	1.1
142.21394	0.7
143.03519	1.3
145.92702	0.7
149.04449	0.8
149.98064	0.8
161.04559	2.3
161.05879	0.7
163.03998	3.2
167.03522	2.0
171.11819	0.8
173.04500	0.8
179.05664	2.1
181.05066	5.3
189.12848	1.8
191.05623	2.4
223.06157	0.9
233.03551	0.7
233.11809	2.2
277.10867	1.4
295.08331	1.3
310.62915	0.8
343.10312	100.0
344.10620	7.3
413.17905	0.8
457.12308	1.2
457.17691	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	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.1
60.99303	14.3
61.98827	1.0
62.69577	0.7
70.22375	0.7
71.01374	2.3
83.05059	0.6
85.02901	1.0
87.00881	2.7
88.98804	100.0
89.02447	40.7
89.03009	1.5
98.22601	2.4
101.02434	1.1
106.04227	1.0
151.04184	0.9
161.09767	2.1
173.04623	0.9
205.08749	4.7
313.50293	0.7
430.93854	0.8
457.17465	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1549
Annotation	deoxytryptoquialanone
Peak:m/z	Relative Intensity
55.01865	0.3
57.03439	0.3
58.99592	0.4
59.01379	3.6
69.38267	1.5
71.01379	3.9
73.02950	1.2
74.99091	4.1
79.47964	0.3
85.02965	1.5
95.01319	0.3
97.17848	0.3
99.00873	0.7
101.02461	1.8
102.98620	1.2
113.02470	1.6
120.99651	100.0
121.99979	1.2
129.81268	0.4
161.04530	2.6
179.05655	0.6
197.72133	0.4
207.08447	3.6
295.10062	0.4
457.15353	75.5
458.15656	5.7
469.37753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12933	0.8
58.99604	21.4
59.01383	10.1
60.51466	0.9
61.98823	1.3
65.82182	0.7
66.33571	0.7
66.98022	0.8
69.25169	2.5
71.01379	11.5
73.02946	3.5
83.01369	1.6
85.02952	4.8
87.00880	11.2
89.02443	3.2
99.00859	0.9
101.02424	6.6
102.98597	100.0
113.02438	4.2
125.46512	0.9
159.02960	1.4
161.04578	5.1
217.00247	0.9
249.06142	6.6
253.12257	2.1
283.04919	84.1
284.05225	3.4
297.50772	0.9
328.49832	0.8
332.25406	0.7
374.99030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.0
60.01700	0.9
68.89694	0.7
69.73166	2.5
71.01379	28.1
72.99277	0.8
73.02950	2.4
83.01382	1.9
85.02943	6.3
87.00852	1.4
89.02441	41.1
93.03465	5.5
95.01392	1.3
95.97242	0.8
98.22602	0.7
101.02442	21.7
111.57696	0.7
113.02448	12.7
115.03996	1.1
119.03493	15.5
122.58422	0.7
129.39662	0.8
131.03499	3.0
137.02467	5.3
143.03499	2.9
149.04538	1.0
161.04585	2.5
163.06136	6.5
174.99248	1.3
179.05594	13.8
181.07207	11.2
192.98259	0.8
210.99231	0.9
213.00253	0.8
217.00256	4.6
234.99167	0.8
283.36664	0.8
295.01385	2.0
330.17947	0.7
337.02393	1.7
343.12427	100.0
344.12747	2.8
374.99252	1.6
397.04666	1.8
457.06714	0.9
457.15775	3.8
463.49344	0.7
483.56070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	31.4
62.55642	6.2
63.20482	5.8
71.01380	15.7
73.02952	8.2
82.90752	5.8
85.02908	5.7
87.00861	5.5
89.02440	15.9
99.79935	5.5
101.02435	10.7
109.06587	8.9
113.02421	8.7
116.92840	13.5
119.03531	10.4
120.99618	7.0
125.02480	6.4
151.07657	39.6
161.02489	6.7
161.04544	8.6
173.04503	6.4
179.05594	9.8
194.01318	6.5
197.83730	5.3
217.00266	9.4
233.88721	5.9
241.12254	9.5
253.14343	7.8
254.06775	5.8
257.11844	66.6
259.12964	9.1
285.59964	5.9
407.52795	6.0
419.16922	9.6
421.18552	7.5
433.02277	5.8
457.16104	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	457.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98836	19.1
69.47948	26.7
71.01404	29.1
87.54512	9.1
89.02458	52.1
96.96022	11.7
101.02467	18.2
101.93745	9.3
113.02445	23.7
119.03500	17.8
136.39616	9.2
137.56667	9.2
145.06218	24.6
162.73010	9.3
174.99110	12.9
179.05655	36.5
217.00311	26.5
242.09474	16.3
247.05054	8.3
257.08264	30.7
257.11893	52.2
337.07520	27.7
374.99118	19.7
442.56000	8.7
457.16306	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07979	0.3
59.01377	100.0
60.01723	0.4
60.99306	1.3
61.98848	0.4
65.81407	0.4
69.36595	0.9
69.36986	0.6
71.01380	0.8
73.02953	0.4
88.98802	9.9
89.02435	3.9
92.14648	0.4
108.91078	0.3
125.62406	0.4
130.08759	1.0
161.55951	0.4
167.98322	0.5
205.08748	0.6
372.30115	0.4
422.23337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08400	0.6
59.01380	26.5
61.98842	3.7
63.52348	0.5
63.65026	0.6
68.94871	0.6
69.03437	0.9
69.05911	1.6
69.06331	2.5
71.01379	4.4
73.02951	1.7
73.97089	0.5
75.00839	0.6
83.46136	0.5
85.02954	2.5
85.11375	0.6
85.64921	0.6
87.00885	0.8
87.04504	0.7
89.02457	2.0
93.03469	1.1
96.96004	0.8
97.06591	0.9
98.22610	1.4
101.02448	3.0
108.02171	3.3
109.02980	2.7
109.52226	0.6
110.16441	0.6
113.02432	4.9
116.92802	0.8
119.05032	6.9
121.02959	2.4
123.04490	1.5
125.02441	0.6
133.05093	0.8
135.04562	3.9
136.05330	3.7
137.02441	1.1
137.06053	1.9
138.58955	0.5
139.04019	0.7
148.05305	2.1
149.06067	1.3
150.06873	8.1
151.00360	0.9
151.04007	0.6
151.07649	25.3
152.01143	4.1
153.01918	1.5
159.06607	0.7
161.04526	1.3
162.06859	8.2
163.03964	2.8
163.07655	31.8
164.07982	1.4
165.05585	1.1
166.02679	1.7
167.03510	3.9
175.04012	0.7
177.09218	0.7
178.06235	0.6
179.03510	1.9
179.07118	0.8
180.06311	1.0
180.07918	21.4
181.05206	9.4
181.08705	100.0
182.09019	3.7
191.05653	2.5
193.08778	0.6
204.45354	0.6
205.04901	0.6
211.07639	0.7
219.94693	0.6
223.09773	0.8
241.08797	0.7
295.11841	0.7
341.08557	0.6
343.10226	4.9
343.13980	5.6
367.13776	0.7
421.14920	1.3
457.12518	4.7
457.18817	1.0
458.15506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1845
Annotation	SCHEMBL16243022
Peak:m/z	Relative Intensity
51.46163	2.7
54.62025	2.4
57.03473	2.5
59.01377	100.0
61.98824	3.8
68.67795	2.5
69.54725	8.6
71.01383	12.0
71.17167	2.8
73.02909	2.8
77.35368	2.7
83.01388	2.9
85.02950	6.7
89.02441	7.5
96.84304	2.9
101.02435	9.2
109.88844	2.8
113.02460	7.0
116.92828	3.3
161.04565	4.3
176.08388	5.9
177.09216	9.0
179.05643	3.6
191.05614	11.7
217.00244	3.9
221.08192	15.0
271.08658	3.6
283.45746	2.8
295.06503	3.6
295.11865	51.7
363.85876	2.7
397.22314	3.2
405.28543	3.3
415.23328	5.1
421.20743	4.9
457.18030	50.3
458.19275	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	457.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16592	1.9
55.01883	5.1
57.03449	3.9
59.01377	48.4
59.05024	1.8
61.98822	10.3
70.77792	2.7
71.01381	38.1
72.99281	2.4
73.02948	16.2
80.25769	2.3
81.64413	2.0
83.01380	10.1
83.05027	11.5
85.02953	24.4
87.00859	4.2
89.02450	16.2
93.03458	14.6
95.01414	3.1
96.96009	4.8
99.00865	4.7
99.92578	3.0
101.02449	54.5
101.03122	4.7
101.06085	14.7
107.05029	3.2
107.31419	1.9
109.02962	3.3
113.02452	24.4
116.92846	16.8
119.03576	3.4
119.05028	28.6
121.02960	11.6
127.04003	4.2
133.03085	2.6
135.04523	3.5
137.02425	2.6
143.03566	4.0
145.05098	2.6
159.03029	3.8
161.04576	21.5
163.04018	12.9
179.03624	2.6
179.05576	3.2
180.06731	4.7
181.05072	5.9
189.09149	13.0
191.05620	6.5
207.10257	49.2
217.00218	2.2
233.08241	4.9
235.11865	29.7
251.09233	26.4
252.09595	2.7
260.10544	2.4
324.66846	2.2
343.10114	12.2
347.71878	2.4
397.11813	5.3
397.17075	100.0
398.17352	6.3
413.14499	39.9
414.15018	3.4
457.13373	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47327	2.0
59.01387	13.1
61.98819	5.1
68.43993	2.5
69.37383	4.3
69.37774	6.1
70.08853	2.1
90.85660	2.5
91.05537	4.6
97.02940	10.3
97.11304	2.1
98.21910	3.1
117.07098	10.7
124.25490	2.3
124.83841	2.2
125.87306	6.2
126.03225	8.9
136.05295	3.3
148.05321	22.5
155.08710	3.7
158.02161	4.0
161.06154	2.8
173.06090	2.9
173.09735	15.1
174.99254	4.8
175.04022	20.5
176.04788	52.8
184.88680	9.6
189.09123	2.9
201.05576	3.7
203.07228	3.3
207.99718	2.3
211.07581	2.6
217.00281	17.1
217.08673	52.5
218.09001	3.1
227.10785	25.2
239.10757	84.6
240.11336	5.0
253.12228	4.5
265.12372	6.0
267.07416	5.3
267.10275	100.0
267.13821	13.7
268.10617	6.7
277.12051	3.5
279.10229	4.2
292.11002	7.7
293.11746	8.6
294.12561	3.8
308.13895	2.9
357.18634	13.0
369.18576	16.4
374.99408	11.3
383.16547	7.0
395.20084	9.7
410.94418	2.3
413.21494	25.7
439.19110	31.0
440.19547	3.4
457.20236	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	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98826	3.2
63.98459	0.9
69.42342	1.9
69.42727	1.7
73.02965	0.8
75.80376	0.8
85.02942	1.1
113.02416	1.1
117.50664	0.8
128.03502	0.9
134.29755	1.0
145.06180	3.2
161.02385	0.8
217.00330	3.6
223.06136	0.8
228.30437	0.8
257.99979	0.8
347.50977	0.8
374.99286	2.7
403.74249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.01807	0.3
57.03439	0.6
59.01376	100.0
59.23818	0.3
60.01706	0.7
61.98833	0.9
67.01850	0.3
69.36612	0.9
69.37016	0.8
71.01377	14.4
72.99318	1.2
73.02944	6.9
73.03355	0.3
75.00877	0.5
81.03453	0.3
83.01381	2.8
83.05081	0.4
85.02943	7.3
87.00886	1.4
89.02439	4.9
93.03450	1.6
94.68983	0.3
95.01427	1.2
97.06582	0.4
99.00912	1.3
101.02436	11.4
104.19986	0.3
105.89648	0.3
109.02956	0.3
113.02443	6.9
119.03470	2.2
125.02499	0.9
135.04546	0.5
137.02415	0.5
140.04442	0.3
143.03532	1.1
159.03024	0.8
161.04539	4.6
161.05595	0.4
173.04533	2.2
179.05685	0.9
191.05595	6.4
209.97485	0.3
235.17126	0.6
295.19238	0.5
397.22290	5.1
415.23355	11.5
416.23758	0.9
457.21069	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	458.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57609	0.7
55.01892	0.9
57.03436	0.9
58.00581	0.8
58.99607	5.9
59.01379	82.3
60.01695	1.2
60.97517	3.2
61.98833	6.4
67.13139	0.8
68.99811	9.4
69.03461	10.0
70.02977	14.1
71.01381	33.3
71.43061	0.7
72.34201	0.8
73.02958	1.8
82.99596	3.5
83.01366	0.9
84.04543	1.6
85.02956	9.5
86.00697	1.3
86.02479	13.3
87.00874	1.1
89.02444	32.9
92.05046	1.1
93.03454	3.0
94.03009	3.6
95.01386	2.7
96.00394	1.3
96.96017	1.5
101.02444	15.1
105.07127	1.2
107.05047	1.0
110.99136	0.9
112.04048	62.8
113.00639	1.0
113.02445	13.1
113.04385	1.0
119.03503	11.8
119.04960	1.6
121.02924	3.4
121.06598	1.1
122.02488	31.2
122.06150	4.1
123.04506	2.6
130.08719	3.6
131.03525	2.1
131.05080	5.0
135.04535	1.2
135.99870	3.5
137.04314	6.8
139.02238	3.2
143.03473	2.1
147.02724	1.2
147.04605	1.6
148.04037	1.7
148.07669	1.2
149.04500	1.4
149.05991	0.9
150.01418	1.7
156.03027	13.0
157.05296	1.6
158.03725	0.8
158.06052	2.0
159.10425	0.9
161.04535	2.8
163.02234	1.5
164.07228	1.6
165.02528	3.3
165.03786	31.5
165.05257	1.7
172.07631	6.0
173.04562	1.9
173.05965	1.2
174.05576	6.7
179.03499	1.0
179.05568	3.4
182.02820	26.7
185.04781	1.4
190.03400	4.6
190.08759	2.1
191.01718	3.4
191.05582	2.9
192.02843	1.1
192.06682	4.7
200.05499	1.4
200.07173	19.8
201.07591	0.8
204.01228	1.0
205.01930	1.6
218.08275	5.9
226.01784	39.9
234.05931	53.8
235.06232	2.9
252.06938	1.5
268.06458	6.8
275.13440	0.9
278.04913	37.1
279.05273	2.3
296.05981	34.5
297.06152	1.7
316.11584	0.9
337.43127	0.8
344.10648	0.9
410.69150	0.8
414.12357	4.1
430.11823	2.9
458.11206	100.0
458.25119	3.3
459.11508	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	458.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45394	2.7
55.68076	3.1
59.01377	99.4
63.76047	2.8
69.14213	17.7
71.01384	31.4
73.02943	99.8
73.43676	2.6
75.00861	9.5
75.84451	3.3
83.01369	15.4
85.02946	4.1
87.81077	3.3
90.89288	2.8
101.02441	41.0
113.02438	8.9
121.03008	2.7
125.01602	8.2
125.02425	6.3
126.99558	8.0
131.03380	2.9
131.67885	2.7
143.03499	4.6
151.03188	3.2
155.03491	6.6
161.04573	3.1
167.06306	88.7
176.16444	3.4
181.00603	19.9
191.05553	3.4
196.61078	3.0
202.83046	2.8
203.05551	5.5
210.03499	3.1
211.05273	24.1
225.06868	100.0
225.09016	6.4
253.06343	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70049	0.8
51.69396	0.9
52.33096	0.8
59.01377	63.2
59.88070	0.9
70.84389	1.6
71.01381	36.8
73.02943	13.8
85.02960	4.8
85.94623	0.7
87.00890	2.3
89.02442	55.7
95.01383	1.2
99.00903	1.5
101.02444	19.3
102.02739	0.8
111.32480	0.8
113.02451	14.9
116.03497	1.2
116.07178	34.9
116.92860	3.0
117.01936	22.6
119.03493	19.2
119.11253	0.8
127.53815	1.0
131.03491	3.0
136.88054	0.8
143.03494	3.0
149.04472	1.0
161.04553	5.5
179.05618	22.6
179.07167	1.7
285.92987	0.8
329.30511	0.9
341.10864	100.0
342.11215	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	458.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.9
60.50699	13.2
73.02961	12.0
80.30566	13.2
88.04063	12.1
96.96035	14.7
116.92862	100.0
128.03554	25.1
149.73775	13.6
160.09758	14.3
191.05667	22.3
319.72690	12.7
458.19702	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01704	7.4
61.98818	18.4
65.52242	4.1
69.29017	19.6
71.01372	22.8
73.02933	11.2
73.41812	4.2
77.73164	3.8
79.27627	4.1
80.45542	3.5
82.90782	3.7
85.02943	10.8
89.02452	9.4
98.22598	8.1
101.02439	17.9
105.50438	4.1
113.02448	16.7
116.92864	7.4
138.68530	3.5
154.62250	4.8
161.04549	17.7
191.05640	11.7
201.96814	4.1
217.81891	4.0
235.17014	6.1
415.23322	23.6
458.25415	8.1
459.22971	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55495	11.5
59.01377	100.0
68.47720	10.0
69.31310	48.9
71.01400	15.3
74.75697	7.5
118.23238	9.0
161.04604	9.9
183.10175	17.2
191.05595	15.0
243.84084	9.8
248.45947	9.1
300.13885	8.7
301.92230	9.5
310.88202	8.4
311.76135	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	458.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82725	5.5
59.01384	6.4
61.07012	5.6
61.98825	10.4
67.87646	5.3
70.95788	5.7
79.13480	5.8
80.36118	5.8
86.33054	6.0
98.21981	7.1
115.29616	5.8
120.04540	16.0
162.05592	39.9
223.20674	5.6
295.19629	6.5
347.99390	6.5
386.05511	5.9
422.29111	100.0
458.26819	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	458.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26445	16.6
65.23383	19.4
69.75578	19.5
69.75906	50.1
81.02531	19.2
118.32024	18.0
123.00877	59.4
127.87027	32.2
164.83598	100.0
232.74701	20.7
294.17978	36.0
420.03940	83.9
422.03622	46.3
462.44501	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74299	1.1
59.01382	8.4
67.34641	1.2
71.01365	4.2
78.95889	3.2
85.02926	1.7
89.02450	3.4
93.63300	1.0
96.96003	5.3
97.02959	1.0
99.04523	3.7
101.02432	2.6
113.02444	2.0
115.03967	2.8
116.92880	5.8
118.96645	1.4
119.03435	1.6
121.02927	2.2
131.03485	1.1
134.74054	1.1
137.02434	1.3
143.03452	9.5
152.91757	10.4
155.00204	1.4
161.04565	1.1
168.25191	1.1
170.99814	5.5
173.01323	2.0
179.05559	2.1
185.01268	1.3
186.99252	3.6
193.91992	1.5
198.99257	3.9
201.00844	2.2
213.00868	2.2
213.04364	1.1
217.00230	2.2
229.00282	2.7
234.96143	1.9
237.00719	1.4
239.41255	1.4
250.95638	1.5
259.01401	1.8
260.96039	3.8
269.03497	2.1
270.94470	3.3
272.96021	3.8
274.97708	1.4
278.94937	12.8
284.96082	1.8
288.95670	3.1
290.97028	3.0
294.98230	2.2
296.96185	30.5
296.99707	2.9
297.02820	2.1
299.01096	1.8
300.95709	1.9
300.99042	2.5
301.02380	1.5
302.97055	3.4
308.99695	1.6
310.97562	2.4
312.99155	5.5
315.00772	4.7
318.96332	1.3
322.97571	3.3
324.99332	8.2
325.02536	1.9
327.00812	3.2
328.98642	1.5
338.97122	4.0
339.00946	1.7
339.78976	1.3
340.98618	12.2
343.00110	4.8
343.03583	2.6
343.12195	1.5
344.12866	2.7
344.98099	1.6
345.12933	3.6
352.98706	17.8
355.00400	5.3
357.01904	1.5
358.99680	7.0
361.04651	2.7
367.00079	2.4
368.98145	4.3
369.02219	1.5
370.99728	33.7
372.00067	1.3
373.01169	10.8
380.98340	3.8
385.01260	2.4
386.99078	3.3
387.03494	1.5
398.99203	39.9
399.99646	1.8
413.00677	2.6
417.00259	88.3
418.00586	4.1
441.00244	6.5
459.01328	100.0
460.01807	4.0
460.99240	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	459.0934
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
54.63431	1.1
57.03440	2.6
57.19730	1.0
59.01376	32.8
61.98831	5.4
68.99831	1.2
70.92049	1.2
71.01380	14.2
72.78970	0.9
72.99273	1.6
73.02932	2.6
75.00860	5.8
78.95863	1.1
85.02945	23.2
87.00867	3.1
89.02436	2.1
95.01394	6.5
98.21877	1.2
99.00885	7.8
101.02396	1.3
103.00352	3.2
110.00078	2.3
113.01701	2.1
113.02447	37.2
115.00327	1.4
116.92853	2.0
117.01939	3.3
129.01958	2.2
131.04611	4.5
137.02451	1.5
163.00388	11.8
165.99054	3.6
175.02502	8.8
183.58168	1.3
184.05263	2.5
191.05565	1.2
196.05269	2.1
198.03145	1.9
239.03427	3.2
243.03004	5.5
257.04465	2.0
267.03104	2.8
268.03751	100.0
269.04056	3.6
270.01437	1.6
271.02496	4.8
283.06110	67.1
284.06464	3.2
285.03751	1.5
300.02716	2.2
314.04285	5.9
315.05020	2.6
327.21686	1.3
459.09238	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	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
58.68403	0.4
59.01383	4.7
60.01688	0.5
65.56621	0.4
71.01393	2.5
71.41538	0.5
72.00893	3.2
73.02946	38.4
74.02463	4.9
74.03296	0.6
89.02441	4.6
99.00869	4.8
101.02428	1.2
109.48896	0.5
113.02448	1.2
116.07144	1.3
116.92848	2.1
117.01939	100.0
117.07545	0.5
118.02272	1.4
118.05105	23.2
119.03505	1.3
179.05591	1.3
187.39098	0.5
341.10867	5.8
342.11050	2.2
342.55368	0.5
376.08945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70921	0.4
59.01383	2.5
70.87246	0.4
71.01376	0.6
72.00898	0.5
73.02944	40.0
74.03278	0.4
80.02254	0.4
82.05049	0.4
87.00874	0.4
89.02443	1.3
91.22658	0.4
96.95992	1.3
99.00887	5.7
99.92580	1.0
116.92859	18.1
117.01940	100.0
117.92852	0.6
118.02278	1.6
118.05131	0.6
131.08218	0.7
132.92961	0.4
153.70723	0.4
201.02576	0.9
203.02356	0.5
273.30692	0.4
308.84793	0.4
341.10904	1.3
384.63660	0.4
467.03491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
61.98824	4.4
71.40158	1.5
93.03457	36.5
93.04020	2.2
107.32761	1.1
116.92896	1.0
122.43507	1.0
137.02441	100.0
138.02780	2.1
160.84192	2.4
162.83891	3.0
359.45493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95491	0.5
59.01375	1.0
61.98811	1.4
70.42418	0.9
70.42754	0.5
70.48854	0.6
81.63773	0.4
92.02689	0.9
93.03460	36.6
94.03773	0.5
96.81973	0.4
132.88776	0.5
137.02448	100.0
138.02771	2.9
151.04015	0.5
222.08615	0.6
227.10684	2.7
262.83987	0.5
278.17365	0.5
285.06934	0.8
396.18774	0.6
413.37173	0.5
459.27551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17738	0.5
59.01373	4.8
60.40797	0.5
61.98835	1.1
68.80168	0.5
68.99807	0.6
69.03458	9.7
69.17047	3.8
71.01373	3.8
73.02928	1.1
73.04057	0.7
80.91671	1.7
83.01392	0.9
85.02946	2.4
87.05614	1.1
88.04037	0.9
89.02438	2.6
91.30504	0.5
93.03426	0.9
96.00908	0.7
98.22635	0.9
101.02444	2.4
102.05584	0.7
103.05543	1.2
106.04236	0.9
109.02973	0.6
112.04053	0.9
113.02444	57.2
114.02744	0.6
119.03506	1.1
121.02927	1.2
121.06586	2.2
122.03717	4.0
123.04507	0.8
125.02418	1.7
128.03537	15.8
129.06709	2.4
129.10374	1.5
130.08730	1.2
131.03503	1.0
135.04523	1.9
138.03233	0.6
144.07787	1.4
150.03232	4.0
151.03954	0.6
153.01881	15.2
153.05559	5.1
161.04552	2.5
164.04729	0.7
165.05551	2.6
167.03479	0.6
168.04276	23.8
169.04604	1.0
179.05559	0.8
183.06607	100.0
184.06950	3.2
191.05710	1.3
195.02713	1.3
208.03693	0.9
210.67303	0.6
223.06096	2.2
225.18025	0.6
227.10385	0.8
263.11475	0.7
267.02921	1.0
267.09836	0.7
297.40598	0.6
299.20850	0.8
328.15207	0.6
340.47815	0.6
345.11713	2.6
346.11639	0.8
399.12750	1.1
429.19861	3.6
459.20181	9.7
460.25360	0.7
476.24850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.3
58.00594	2.2
59.01379	100.0
61.98832	7.6
65.29076	1.5
69.03455	3.7
71.01379	56.8
71.41964	2.3
72.99313	2.9
73.02941	3.5
75.00859	3.0
78.91900	3.0
83.01411	2.0
85.02937	9.4
87.00896	8.1
89.02444	88.8
93.03462	3.5
95.01406	3.6
96.96001	2.0
99.04494	2.2
101.02438	30.7
103.05557	1.7
107.03539	1.5
107.05045	3.2
108.02180	3.0
109.02933	12.0
113.02448	45.7
116.92870	5.1
119.03518	42.3
119.05016	62.9
121.02949	3.2
121.06587	4.4
122.06126	1.8
123.04527	3.2
131.03502	7.0
133.02959	2.1
134.03764	2.3
135.04539	25.9
137.06055	3.1
142.72527	1.4
143.03505	11.5
146.02733	1.9
146.03702	7.4
147.04524	77.3
148.04869	2.0
149.04549	4.3
150.03246	7.8
152.01131	3.7
153.01926	17.3
161.02472	11.8
161.04549	16.9
163.04031	1.8
165.01837	1.6
165.04240	1.3
165.05563	25.3
166.05096	5.8
167.03548	3.1
168.04289	3.2
179.05605	71.6
183.03093	2.2
183.06618	23.4
191.01761	12.1
191.05638	4.0
192.99689	2.7
197.04530	5.9
210.36998	1.5
235.00746	5.1
237.07675	1.9
297.09818	6.0
302.32935	1.6
315.07242	3.5
327.10809	47.1
328.11133	2.8
345.11649	5.0
355.04813	2.3
397.06274	2.4
459.05615	2.5
459.15140	12.7
459.24649	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	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85025	1.1
55.01847	1.2
58.99590	2.2
59.01379	100.0
60.01707	1.3
61.98830	2.4
68.73152	1.2
69.03461	4.4
71.01384	46.7
73.02947	3.1
74.02472	2.6
79.46956	1.1
81.59789	1.4
83.01389	2.2
85.02947	6.6
87.00885	3.1
87.04529	2.4
89.02442	72.2
90.79330	1.2
93.03433	1.1
95.01411	2.6
98.21892	2.3
101.02441	23.8
111.00861	1.3
113.01704	2.0
113.02457	32.7
119.03499	24.0
131.03499	6.3
143.03473	6.1
149.04564	2.9
161.04530	9.9
165.09206	4.5
179.05606	42.9
180.05841	1.4
191.05663	1.7
197.45886	1.1
210.06523	1.3
233.06563	2.6
240.15675	1.1
345.15634	1.6
369.04037	1.2
423.18787	4.5
459.17310	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	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34672	0.2
55.01884	0.3
57.03451	0.5
59.01378	100.0
59.15534	0.2
60.01719	0.6
61.98836	0.5
66.84745	0.2
69.59304	0.8
71.01379	4.8
73.02934	2.2
83.01408	0.6
85.02948	2.4
85.06623	0.3
85.25232	0.2
87.00907	0.4
87.04517	0.4
89.02437	1.5
93.03460	0.7
95.01395	0.4
95.05032	0.5
99.00880	0.6
99.04543	0.6
101.02438	2.8
113.02460	4.0
119.03529	0.7
121.02966	0.3
125.02402	0.3
139.04008	3.1
143.03482	0.3
159.02988	0.4
161.04564	1.6
179.55482	0.2
191.05739	0.7
201.05687	0.3
207.13893	4.0
208.14194	0.3
218.36896	0.2
225.14980	1.7
251.12962	0.5
267.15906	1.6
311.15207	0.5
315.25397	0.3
329.16299	0.6
345.15430	0.4
371.17209	0.6
399.23911	3.3
415.30768	0.4
417.24930	2.1
459.24164	0.3
459.29865	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	459.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.9
61.98829	23.2
67.88435	0.6
71.01405	1.8
73.02937	0.8
78.95903	58.5
85.02954	0.9
89.02441	1.0
95.02454	0.7
96.04237	0.7
96.96957	13.1
98.21877	1.5
101.02438	1.1
105.27824	0.7
113.02437	1.3
113.03578	1.6
114.01980	1.4
116.92861	1.1
131.04596	3.4
135.15932	0.8
141.70322	0.7
143.10774	100.0
144.11113	2.3
152.99583	57.4
153.99963	0.8
161.04562	1.3
169.01094	0.7
180.02138	0.7
191.05627	1.3
207.87242	0.7
208.86603	0.7
223.00180	2.0
241.01192	32.0
242.01941	0.9
243.03001	1.3
271.02463	2.0
279.09988	7.4
314.04303	1.6
315.04898	10.4
423.22275	1.6
459.16321	97.0
460.16721	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	459.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29648	3.1
56.77605	2.6
59.01382	20.1
61.98824	5.1
62.54591	2.5
71.01369	3.5
89.02428	5.2
113.02489	2.7
159.59441	3.3
170.82195	2.5
173.04588	4.0
181.06552	3.7
201.02306	3.1
207.33611	2.8
224.04837	3.5
225.05519	19.5
233.90724	2.6
239.07129	14.8
240.07928	6.5
255.10260	100.0
255.12978	4.8
256.10620	5.5
305.91721	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	459.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.2
61.98812	1.1
70.29294	0.3
71.01358	0.5
82.66407	0.3
85.02985	0.3
94.77120	0.3
95.01361	0.6
101.02427	0.3
113.02466	0.3
122.03724	0.4
137.06265	0.3
181.06557	2.9
183.04529	1.9
196.05278	0.6
197.06126	0.8
224.04773	3.7
225.05551	25.6
226.05820	1.1
239.07123	18.0
240.07867	7.1
255.10243	100.0
256.10574	5.4
459.25333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
59.51823	0.2
61.98813	0.9
65.19382	0.2
71.41541	0.3
77.45293	0.2
113.02506	0.3
116.92841	1.2
131.04593	1.2
148.90855	0.2
149.02473	0.3
161.02373	0.3
196.08975	0.2
211.07729	1.7
212.08395	4.9
239.07120	1.3
240.07903	51.1
241.08287	1.9
254.09415	0.9
255.10248	100.0
256.10593	4.8
258.06979	0.3
399.13940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
58.86235	0.2
59.01376	5.4
60.76329	0.2
61.98821	0.9
66.74685	0.2
67.01116	0.2
69.03463	1.3
69.18584	0.9
71.01382	1.5
73.02944	0.5
77.42196	0.1
81.16331	0.2
82.95406	0.2
83.01379	0.2
83.46058	0.2
85.02959	0.8
87.00834	0.2
89.02428	0.4
93.03461	0.2
93.23816	0.2
96.96001	0.3
97.20950	0.2
98.21891	0.4
101.02419	1.2
111.08190	0.2
111.68457	0.2
113.02442	6.8
114.02790	0.3
116.92860	0.5
119.03514	0.4
131.03470	0.3
137.09698	0.9
139.11284	8.5
140.11656	0.3
157.12340	0.6
159.80267	0.2
159.81720	0.2
161.04570	1.1
179.05403	0.2
183.10252	100.0
184.10583	3.7
191.05528	0.2
201.54027	0.2
272.63312	0.2
275.07779	0.5
345.15430	2.7
399.23877	0.2
411.63748	0.2
459.18045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
56.29593	1.6
57.03441	7.6
59.01376	100.0
61.98817	6.1
69.03439	2.8
70.05733	4.0
71.01373	17.6
71.05022	3.0
73.02948	9.1
79.02345	1.6
83.01399	2.3
83.05009	1.8
85.02953	7.7
87.00868	3.2
89.02438	7.3
93.03453	2.2
98.22565	2.6
99.00920	2.1
99.04523	19.9
99.15421	1.7
101.02432	17.5
101.06098	1.6
108.02180	3.9
113.02451	11.5
116.75176	1.6
119.03477	4.4
123.08097	1.8
125.02434	18.0
125.09721	2.1
127.11259	1.6
135.04482	2.6
137.09726	5.6
139.03966	3.3
143.10774	4.9
152.01164	6.0
155.10745	5.7
157.12381	1.7
161.04562	6.1
167.03499	12.8
169.12331	2.0
171.13834	2.3
174.56000	1.6
191.05588	4.4
196.73172	1.5
211.07664	14.5
291.18256	4.5
315.25366	4.0
399.23880	6.8
415.30698	11.6
417.24939	9.5
423.22345	25.0
424.23260	2.2
459.13303	2.6
459.19928	20.5
459.29657	77.7
460.29907	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	459.2097
Annotation	(2S)-2,6,10,14-tetramethylpentadeca-1,18-diyl sulfate
Peak:m/z	Relative Intensity
58.02965	2.3
59.01371	8.8
61.98830	8.2
69.03448	2.4
70.48664	2.3
71.01360	5.0
73.02915	1.8
73.04063	2.5
74.02455	2.9
76.34805	1.2
81.03390	1.4
82.03001	2.2
84.82835	1.1
85.02951	1.9
87.00854	1.1
87.05630	5.7
88.98820	7.9
88.99280	1.2
89.02402	2.3
93.03477	2.1
99.92629	1.2
101.02401	1.5
101.07211	2.4
110.02466	2.6
111.01989	2.1
112.04068	1.9
113.02453	14.3
114.05677	1.3
116.07152	1.6
116.92850	10.3
117.03450	1.6
121.02975	1.9
122.03699	2.2
125.07255	1.8
126.06693	2.6
127.05182	1.9
128.03545	100.0
129.03883	1.4
129.05768	1.9
129.06697	17.8
135.04501	2.0
137.06061	4.7
141.17332	1.4
144.07776	9.7
149.02376	2.6
155.08250	4.0
157.99577	1.3
160.04002	1.6
160.06146	1.2
164.04778	1.9
166.08691	2.0
167.08241	3.2
168.04250	4.9
168.07756	4.2
168.11349	1.6
177.05562	1.3
181.05032	2.5
182.12901	2.3
183.06607	20.9
183.11371	3.1
186.08833	4.1
187.07199	3.6
191.05530	3.2
191.08316	2.9
193.01392	1.3
208.03757	4.1
217.08646	2.9
219.06667	1.5
223.06114	7.8
224.14053	4.8
227.10384	2.5
237.07596	4.7
253.29718	1.2
259.09665	4.2
268.13168	2.2
279.08707	1.3
328.15009	4.0
373.18640	4.2
373.82397	1.5
421.14874	2.0
429.19888	23.3
430.20425	1.8
441.19992	11.3
459.20892	90.4
460.20822	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	459.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
56.39260	0.4
57.03442	1.2
58.45758	0.4
59.01377	100.0
60.01710	0.6
60.12720	0.4
61.98832	1.9
70.82805	0.4
71.01379	18.0
71.05006	0.4
73.02943	7.2
82.95419	2.0
83.01379	2.4
83.05058	0.5
85.02950	7.5
87.00874	1.6
87.04535	1.2
89.02444	11.4
93.03469	0.7
95.01414	1.3
97.02941	0.6
97.06582	0.5
99.00909	1.6
99.04511	1.0
101.02439	13.7
111.00912	0.7
113.02442	8.8
115.00355	1.8
119.03500	4.6
125.02462	1.4
125.09711	0.4
131.03534	0.6
139.03987	2.9
143.03534	1.2
149.04620	0.8
159.02979	0.9
161.04539	5.9
173.04591	1.1
179.03513	0.4
179.05635	2.4
183.10167	0.4
191.05649	1.7
240.08032	0.6
255.10294	1.9
255.19658	2.4
326.17731	1.0
381.22479	0.7
399.23801	10.9
400.24265	1.1
415.30481	0.9
417.24890	21.7
418.25421	1.2
459.24698	0.8
459.29929	2.6
460.19720	2.6
464.19568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12233	0.7
57.17891	0.6
59.01379	100.0
60.01733	1.1
60.55708	0.7
61.98827	4.0
65.96784	0.6
69.17155	3.3
71.01372	4.1
73.02958	1.7
75.00871	0.7
83.01379	1.0
85.02962	2.2
89.02472	1.8
101.02439	4.4
113.02456	4.6
119.03520	1.2
131.48978	0.7
161.04625	2.5
178.09059	0.7
199.65527	0.6
216.10373	1.8
268.03687	4.1
283.06265	2.5
378.15726	1.5
399.23904	6.3
423.22559	2.5
443.22983	1.0
459.18759	3.3
459.26175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03448	0.7
59.01377	100.0
60.01717	0.5
61.98827	0.1
69.03471	0.2
69.19139	0.3
69.19553	0.4
71.01379	7.5
73.02947	2.2
77.68278	0.1
83.01379	1.0
85.02948	4.3
87.00879	0.2
87.04526	0.9
89.02444	2.0
95.01371	1.0
97.02946	0.3
99.00860	0.9
99.42950	0.1
101.02438	3.8
113.02446	7.5
114.02827	0.2
116.98293	0.1
119.03495	0.8
125.02459	0.2
131.03459	0.1
139.03976	0.9
143.03516	0.5
159.02980	0.4
161.04556	3.4
173.78915	0.2
179.05617	0.2
191.05612	0.3
214.80260	0.1
238.00851	0.1
255.19768	0.4
330.74283	0.1
345.15659	0.3
399.23853	7.7
400.24176	0.7
417.24905	3.4
417.30383	0.2
418.25378	0.2
459.30283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.60339	0.2
56.86776	0.2
57.03442	1.9
59.01377	100.0
59.62279	0.2
60.01709	0.6
61.98822	1.6
67.01898	0.4
69.03442	0.7
70.96262	0.3
71.01377	10.8
71.05006	1.2
72.01733	0.3
73.02949	5.8
73.51026	0.3
75.00877	0.3
81.03458	0.3
81.54202	0.2
83.01389	1.7
83.05029	0.5
84.94565	0.2
85.02943	3.6
85.06606	0.3
87.00870	0.7
89.02438	7.2
93.03448	0.7
95.01380	1.9
97.02974	0.3
97.06625	0.4
99.00898	0.6
99.04516	4.5
101.02435	6.4
101.06085	1.0
109.06594	0.2
113.02443	11.1
115.07610	0.4
119.03498	2.3
125.02432	3.3
131.03506	0.6
135.04547	0.4
137.09723	1.1
139.04013	2.8
143.03517	1.0
143.10744	0.3
149.04576	0.5
153.12766	0.3
155.10817	1.1
161.04572	3.1
169.12323	0.7
173.04535	1.2
179.05608	1.2
184.34294	0.3
191.05595	0.8
197.15422	0.4
255.10179	0.4
255.19688	0.4
265.21558	0.3
307.17532	0.4
313.23651	0.3
315.25391	1.0
399.18933	0.3
399.23868	5.6
400.24335	0.4
415.30634	2.7
417.25021	4.0
459.22369	2.2
459.29642	17.6
460.30359	1.4
462.21808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65739	0.3
51.90573	0.3
54.39475	0.3
54.70116	0.3
57.03444	0.9
59.01376	100.0
60.01714	0.6
61.98833	0.7
71.01378	8.3
73.02942	2.7
83.01392	1.3
85.02942	3.7
87.00873	0.6
88.04065	0.4
89.02441	4.5
90.46651	0.4
90.54942	0.3
93.03471	0.7
94.64191	0.4
95.01404	0.7
97.02934	0.5
99.00882	1.1
101.02438	5.7
113.02449	4.3
119.03514	2.2
127.11300	0.6
131.03455	0.4
132.03064	1.0
134.41034	0.4
143.03488	1.1
157.12335	0.6
159.03064	0.7
161.04529	5.4
173.04616	0.7
179.05569	1.8
191.05666	0.8
211.07693	1.5
228.84926	0.4
315.25467	1.1
341.19476	0.5
399.23782	2.9
436.54666	0.4
459.29648	4.9
460.19751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47671	0.2
55.01885	0.7
57.03450	1.0
58.00604	0.3
59.01377	100.0
60.01717	0.8
61.98824	0.8
68.66222	0.2
69.03452	0.8
71.01381	16.7
71.05051	0.2
72.99300	0.4
73.02945	15.1
75.00882	0.3
81.03474	0.3
83.01383	3.5
84.02197	0.3
85.02943	4.9
87.00894	0.9
87.04533	0.5
89.02444	9.4
93.03457	0.3
95.01379	1.4
97.02962	0.3
97.06579	0.3
98.21874	0.5
99.00887	1.2
99.04533	0.9
101.02438	13.6
101.06083	0.3
109.06600	0.4
111.00877	0.2
113.02449	11.8
119.03491	3.3
125.02459	1.0
131.03502	0.7
135.04532	0.3
139.04002	1.7
143.03467	1.6
149.04585	0.4
149.13380	0.4
155.10840	0.4
158.64050	0.2
159.03064	0.5
161.04553	5.2
173.04568	0.3
179.05634	1.0
191.05618	0.8
255.10324	0.3
255.19643	6.5
256.19989	0.4
297.20749	0.3
321.20416	0.2
399.23834	5.9
400.24301	0.4
415.30798	0.3
417.24911	9.3
418.25485	0.7
459.30823	2.2
460.30093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3113
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
51.55600	2.3
52.64585	2.2
53.01549	2.6
58.87858	2.3
65.16501	2.5
68.55281	2.2
104.56903	2.5
107.05027	18.6
109.46380	2.7
116.92841	13.3
121.02952	4.6
122.03773	4.2
139.00352	3.3
163.11288	62.3
176.08379	5.2
177.09209	5.7
223.80174	2.5
231.64066	2.3
283.16974	20.6
295.17123	9.2
295.87991	2.7
459.30270	100.0
460.30530	7.8
479.30981	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	459.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	99.6
60.01706	1.7
69.22877	6.0
74.21259	0.9
81.55742	0.9
89.02378	1.3
91.03972	2.3
104.56521	1.3
162.83904	1.4
164.83559	2.1
254.18663	1.1
257.08801	1.2
277.21759	5.4
281.28635	1.3
305.28479	77.2
306.28760	4.1
321.27875	2.3
323.29520	42.6
324.29782	2.6
325.27460	100.0
326.27591	6.4
349.27469	15.1
355.03928	2.6
367.28506	11.5
385.29572	31.1
441.32208	26.3
442.32721	1.9
459.23578	1.4
459.33258	35.2
460.33722	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3326
Annotation	bhos#34
Peak:m/z	Relative Intensity
52.61312	0.5
53.44997	0.5
53.96654	0.5
59.01381	3.3
61.98804	0.5
67.16943	0.5
69.90570	1.4
71.01375	0.7
73.08419	0.5
78.95899	1.1
82.98909	0.7
84.29465	0.5
89.00858	0.6
89.02475	0.5
91.04002	1.9
98.22623	0.6
99.21502	0.5
114.57438	0.5
114.87265	0.5
162.83896	0.8
234.90395	0.7
277.21716	5.9
293.28595	1.0
295.29962	1.0
305.28473	6.0
306.28571	0.6
321.27805	0.9
323.29514	33.6
324.29773	2.1
339.29016	33.8
340.29388	1.6
349.27408	1.0
367.28513	8.2
368.28973	0.8
385.29565	49.3
386.29965	4.0
423.10391	0.9
459.33234	100.0
460.27362	0.9
460.33487	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	459.3326
Annotation	bhos#34
Peak:m/z	Relative Intensity
57.74062	0.7
59.01379	73.8
61.98814	2.2
68.21044	0.9
79.32750	0.8
80.13338	0.8
84.19540	0.9
84.52430	0.9
162.83891	0.9
164.83595	2.4
169.74295	0.8
211.34219	0.8
228.12834	0.8
279.27008	0.9
282.33328	0.8
305.28363	6.2
323.29510	38.0
324.29810	1.2
325.27463	47.9
326.27753	4.5
367.28546	4.0
384.52881	0.9
385.29559	18.1
386.30112	1.2
441.32217	2.7
459.33258	100.0
460.33783	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
57.59530	0.5
58.00595	1.3
59.01385	1.3
61.98826	3.1
69.98251	0.7
69.98553	1.1
81.15739	0.5
93.03457	0.8
98.21940	0.8
128.50235	0.6
137.02440	1.1
153.12843	0.7
155.14459	4.2
160.30525	0.6
164.83611	2.6
167.14445	1.0
169.16000	2.3
170.81827	0.6
183.13760	0.7
185.15512	2.3
195.17537	1.4
197.15482	1.9
213.14970	3.8
225.14941	1.7
237.18585	2.2
243.16048	7.2
253.18155	1.3
255.16084	1.1
255.19603	2.3
267.19662	0.8
271.19247	1.0
273.20670	1.3
340.08548	0.9
399.17978	0.7
405.33850	0.7
423.34720	1.0
429.14404	0.6
439.34009	0.8
441.35696	6.5
446.07666	0.6
457.35284	7.5
459.36911	100.0
460.37320	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	460.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
60.01701	0.3
61.98826	100.0
65.23473	0.3
67.52991	0.3
69.03464	0.5
69.07418	1.8
71.01395	2.0
85.02946	0.6
87.00878	0.6
89.02439	1.1
93.03459	0.4
96.96011	1.6
98.21875	0.5
99.00870	0.3
101.02403	1.6
109.52458	0.2
111.00913	0.3
113.02473	2.0
115.58221	0.3
117.94174	0.3
119.03478	0.5
121.02950	40.6
122.03277	0.8
147.68280	0.3
148.03925	0.3
154.01454	0.6
156.61847	0.3
161.02419	0.3
161.04539	0.8
178.99919	0.3
179.05595	0.5
188.56453	0.3
191.05594	0.9
207.10138	0.4
214.02702	0.5
225.11247	0.6
241.01424	2.6
242.02190	2.4
245.00946	0.5
250.36353	0.3
256.47232	0.3
270.01691	3.0
271.02527	1.6
283.08109	0.7
298.01038	1.1
299.01971	1.9
347.17139	0.4
351.96164	0.3
459.18918	0.5
460.19348	1.3
461.07181	4.0
461.19800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14824	0.4
55.69163	0.5
59.01378	11.6
61.98812	1.3
67.23007	0.5
69.03444	1.1
69.27323	2.5
71.01383	8.4
72.99288	1.2
73.02941	0.9
75.00865	1.9
84.00900	0.7
85.02940	0.7
87.54504	0.4
87.65963	0.4
88.98772	0.7
89.02443	2.4
95.05015	4.8
96.95989	0.9
97.02943	0.6
101.02434	2.1
109.63322	0.5
110.06142	0.5
112.04046	25.4
113.02453	4.9
113.04314	0.6
116.77666	0.5
119.03542	0.6
122.06098	1.0
123.03283	0.6
123.04556	0.7
124.03199	0.7
124.04053	9.5
125.06036	0.7
126.05633	4.1
135.04498	1.5
136.04829	0.9
138.05608	1.1
139.03976	0.8
140.07185	3.1
141.05586	0.6
149.02438	0.5
150.03326	0.7
154.05110	6.2
155.05347	0.5
158.04611	1.0
161.04549	1.0
164.07130	0.9
165.05594	1.1
166.05095	100.0
167.05486	2.8
179.05659	0.6
182.08226	34.4
183.06750	0.7
183.08578	1.2
184.06113	7.3
184.09702	0.5
208.06149	1.5
225.11407	0.9
226.07217	7.8
293.19070	0.4
310.92392	0.5
328.10318	7.5
346.11423	60.2
347.11850	2.9
460.15393	0.7
461.20502	0.8
470.57547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60291	0.4
54.26375	0.3
59.01374	2.3
61.98827	100.0
65.64582	0.3
66.31907	0.4
69.08202	2.0
71.01376	0.5
74.02524	0.4
74.62973	0.3
89.59258	0.4
98.21929	0.7
101.02417	0.4
113.02445	0.7
120.92052	0.4
125.02429	0.3
128.87842	0.4
133.92955	0.3
137.02431	0.5
137.35214	0.4
161.04558	0.5
191.05669	0.4
224.32950	0.4
225.11189	0.4
225.60602	0.4
271.06107	0.5
299.05441	0.5
324.88776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.4
61.98829	100.0
64.77705	0.5
66.19386	0.5
69.54073	1.6
71.01387	1.3
78.95895	3.1
87.00929	0.4
88.47849	0.4
89.02448	0.7
96.96980	1.1
101.02462	0.7
111.16201	0.4
113.02461	1.5
121.53173	0.4
128.56990	0.4
143.10767	3.3
144.11093	2.7
146.06131	0.7
152.99580	3.5
153.99940	0.7
173.08661	0.5
176.15158	0.4
191.05760	0.6
214.48117	0.5
223.51678	0.4
241.01239	1.1
446.51422	0.4
460.16647	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	460.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
60.96120	0.5
61.98816	1.8
69.26662	2.2
71.01388	0.6
73.02938	1.6
81.03452	3.1
89.02456	0.6
98.22619	1.0
121.98895	0.5
123.04523	12.3
127.03954	0.8
137.06000	0.5
151.07628	3.1
161.02434	1.0
166.00601	0.5
173.04559	0.9
209.04454	0.6
211.07701	0.9
211.11322	1.3
212.08434	1.9
239.07089	1.1
239.10791	3.0
240.07909	39.7
241.08197	1.9
255.10254	100.0
256.10596	4.9
257.08078	0.7
257.11792	2.3
341.10376	1.2
371.11337	0.7
461.14465	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	460.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.36485	6.4
61.98817	23.0
71.01378	12.2
71.43867	6.4
73.02921	7.7
84.17877	5.9
101.02434	9.5
113.02448	9.9
121.02926	6.9
133.35980	5.5
149.64188	5.8
207.10211	12.4
225.05441	10.4
225.11253	10.4
239.07211	9.8
255.10297	53.3
353.39859	7.7
371.90515	7.4
402.09183	9.8
471.23184	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	460.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86213	3.9
54.35176	3.7
55.01868	15.0
57.03448	6.0
57.19066	3.8
59.01374	21.7
61.98834	22.4
69.03460	6.2
69.20657	16.2
69.21059	9.1
73.02951	12.0
85.02435	3.7
85.02940	12.2
87.00910	6.5
107.05070	6.1
112.01669	35.1
113.02456	37.6
122.06133	8.2
123.04514	13.0
124.07727	9.3
125.02435	15.8
126.05624	6.2
127.04016	83.3
133.02965	5.1
133.06566	12.1
136.05296	13.1
137.06081	5.7
139.00334	6.7
139.04007	8.5
144.00648	16.8
147.04475	5.2
147.10944	4.4
149.06111	15.5
150.15701	4.2
152.07158	8.1
161.06065	6.4
163.07616	8.4
165.05522	12.6
166.05223	5.1
170.08319	5.8
176.07167	4.3
177.05576	4.8
179.07144	5.5
186.09253	6.1
187.07658	11.5
198.13147	4.5
207.06799	4.4
209.08228	5.6
216.10277	7.1
219.10310	6.8
232.09885	5.1
234.07732	16.3
257.11847	61.2
264.12189	4.4
278.10303	5.3
288.12451	10.8
292.11902	100.0
296.16553	8.4
310.88773	4.1
328.19003	5.2
340.15506	10.3
372.18176	13.0
378.99991	4.9
384.14520	14.9
385.08737	3.8
416.17075	50.4
428.13690	19.0
460.16174	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46637	0.3
55.78903	0.3
58.37621	0.3
59.01381	4.5
62.66003	0.3
71.01370	2.8
72.00905	17.1
72.17651	0.3
73.02950	4.0
74.02470	27.0
74.03269	0.9
75.02817	0.3
85.02948	0.3
89.02442	4.8
96.93990	0.3
99.00867	0.7
101.02426	1.9
104.57092	0.3
109.00677	0.2
113.02446	1.1
117.01943	10.3
118.02309	3.5
118.05102	100.0
119.03496	2.4
119.05423	1.5
121.08430	0.3
161.04620	0.4
164.74178	0.3
179.05641	2.5
181.18788	0.3
341.10840	12.1
342.11020	0.6
343.11456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
57.03421	2.6
59.01379	100.0
60.01708	8.5
61.85696	1.8
61.98816	6.9
69.74014	3.3
69.74364	5.0
71.01374	28.2
72.01684	2.9
72.84495	2.0
73.02941	8.4
73.03305	2.0
83.01364	3.7
85.02933	11.9
86.92246	2.0
87.00877	5.1
89.02428	10.0
93.03455	4.4
95.21984	1.8
99.00887	3.4
101.02450	12.8
109.02969	2.4
109.06580	4.1
109.15170	1.9
111.00793	2.1
111.04518	3.4
113.02446	16.4
115.23508	1.9
116.92832	2.4
119.03483	5.5
135.04529	3.3
139.04045	2.2
140.04236	2.2
143.03525	2.3
145.28839	1.9
154.83908	1.9
155.03506	4.1
158.93230	2.1
161.04547	20.5
163.11252	2.8
164.03517	3.3
168.69897	1.7
173.04539	2.7
179.05608	2.7
191.05608	5.7
198.30058	1.8
207.10237	10.8
220.65886	2.2
225.11273	6.0
264.57053	2.0
271.49756	2.1
347.16965	4.7
375.08997	2.3
400.24170	22.2
417.24863	36.7
418.25446	9.4
461.20047	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92839	0.7
57.03448	21.3
59.01117	0.8
59.01381	11.3
60.01706	0.9
61.98808	2.2
63.47029	0.6
69.03449	2.2
69.86054	2.1
70.03019	0.8
71.01370	5.3
71.05024	2.9
73.02949	3.9
79.41847	0.6
83.05037	1.3
85.02953	8.3
86.02483	1.0
87.00871	4.6
87.04517	3.9
87.64007	0.6
89.02444	3.7
91.50829	0.6
93.03435	1.0
95.05038	1.2
96.04557	1.3
96.96020	1.8
97.02938	4.9
98.22503	0.9
99.04497	2.4
99.92582	2.8
100.93351	2.9
101.02438	2.4
101.06091	3.3
102.02757	0.7
109.02932	1.0
112.04037	2.6
113.02463	5.0
115.04025	2.1
115.92080	4.7
116.92859	7.5
117.92873	3.6
119.03494	1.8
122.06120	1.5
123.04527	1.5
124.04034	1.9
127.04020	12.5
127.07645	0.8
132.08235	0.8
133.02907	0.8
134.03587	0.6
134.09721	1.2
135.04532	9.6
136.04843	4.3
137.06058	1.0
139.03993	1.1
140.07164	1.0
153.05574	1.3
154.04964	0.8
154.17978	0.6
155.89188	0.7
161.02452	3.1
161.04561	1.5
162.02814	1.5
162.12856	3.0
165.05563	1.3
166.05070	11.6
174.12918	1.5
179.03503	4.1
179.05618	0.9
180.03822	2.8
180.13908	1.2
182.08238	4.3
183.06644	2.5
184.06996	0.9
184.09816	1.2
191.05640	1.3
192.13931	14.0
193.14247	1.2
204.49367	0.8
227.95294	0.7
228.17528	1.2
258.18512	1.2
290.17615	0.8
302.17706	0.8
308.18530	1.8
320.18680	6.5
326.19745	0.8
338.19754	9.2
339.20322	0.8
346.11417	7.8
356.20789	7.5
378.22824	1.8
381.06506	2.8
388.21207	1.2
396.23883	1.9
399.07986	0.8
406.22266	0.8
424.23438	4.1
442.24463	23.9
443.24658	2.0
460.16049	9.1
460.25507	100.0
461.25861	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	460.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.98843	69.0
63.20322	36.8
63.63984	28.1
63.76626	36.3
74.72872	30.2
91.04015	58.5
109.65203	31.6
131.57684	30.6
140.42372	30.4
140.96988	32.1
145.16815	35.9
275.94397	32.2
283.26419	68.4
368.28836	97.3
386.30099	40.5
460.33643	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	460.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	89.7
61.98837	74.8
62.62516	32.6
69.26987	100.0
75.42907	27.0
78.83839	25.2
83.02708	29.0
89.81606	30.7
91.03994	35.4
170.03526	32.8
185.66637	31.6
220.95348	31.6
250.06473	41.5
283.26526	58.6
286.39410	34.8
336.71970	32.6
440.79288	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19322	0.6
59.01377	7.2
60.99305	15.5
69.14426	5.0
71.01372	2.6
85.02986	0.9
88.98801	100.0
89.02435	2.4
111.23248	0.8
113.02452	1.6
121.02947	4.4
128.03535	1.4
131.04601	1.3
137.02426	2.2
148.91035	1.0
149.04495	0.7
160.06190	1.0
163.03978	1.0
209.69603	0.8
211.80942	0.8
243.30788	0.7
249.06194	3.4
287.15118	4.0
288.15427	0.8
338.95755	1.0
371.09683	8.1
401.05405	2.1
410.72940	0.8
460.25235	1.1
461.20389	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	461.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01376	30.8
60.01698	0.7
60.27833	0.6
61.98825	2.9
64.38351	0.6
71.01383	4.4
73.02934	3.7
74.02485	0.6
81.03445	1.6
83.01359	1.6
85.02948	1.7
87.00854	0.6
89.02448	2.4
93.03451	0.9
95.01310	0.6
95.05009	2.7
99.00858	1.0
101.02426	3.1
113.02454	2.9
119.03439	0.9
121.02945	1.2
122.03735	11.9
125.02396	0.7
137.02443	0.8
139.04010	31.6
156.05759	0.6
161.04622	0.7
169.10252	0.8
171.08138	4.8
187.96414	0.5
191.05602	1.1
193.08611	0.7
213.09200	100.0
214.09537	5.3
239.16475	1.5
270.01526	0.6
327.21777	2.0
329.10080	0.5
347.16962	1.1
419.26715	0.8
460.30032	1.3
461.23874	6.5
461.30408	1.5
462.27118	0.9
473.25882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
61.98829	100.0
66.89884	0.8
67.82144	0.9
69.62508	2.2
69.62865	1.9
70.75954	1.0
77.46841	0.8
78.95894	1.1
93.03453	1.1
96.95972	1.3
127.33705	0.8
128.45372	0.8
163.50874	1.0
229.58659	1.0
322.20239	0.9
387.11917	1.0
431.14429	1.9
446.16440	1.1
461.18765	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57363	1.8
53.55874	1.2
55.01854	1.3
57.03431	2.9
59.01378	61.8
59.47259	1.2
61.98825	22.3
65.50700	1.3
69.03432	2.1
70.96839	1.8
71.01383	43.3
73.02944	15.7
75.00864	1.4
83.01381	7.7
85.02945	17.7
87.00873	3.7
88.98787	4.9
89.02440	24.7
95.01366	1.7
97.02938	2.1
99.00863	3.7
101.02443	34.9
105.27899	1.5
111.00848	5.8
111.88042	1.3
113.02447	16.4
119.03510	1.4
121.02921	1.5
123.00990	1.3
125.02417	2.9
127.03967	2.0
131.03496	10.9
135.04594	1.7
143.03473	4.5
149.04507	6.7
159.02983	2.2
161.04558	14.5
163.07674	2.6
166.93376	1.5
175.11298	1.9
191.05482	1.8
211.36932	1.2
233.06572	3.7
269.07623	2.3
269.10309	25.4
270.10477	1.3
278.72476	1.3
293.08536	1.6
329.12314	2.3
401.14484	100.0
402.14771	4.8
461.16599	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08010	1.7
50.80650	2.0
51.01801	1.5
57.03463	1.9
59.01382	45.7
59.74081	1.7
61.38860	1.6
61.98816	6.1
69.03439	2.1
69.36993	8.3
71.01015	2.9
71.01384	51.7
72.99320	3.1
73.02949	20.0
75.00888	2.0
83.01369	6.6
85.02948	23.6
87.00874	4.3
88.84010	1.8
88.98791	4.2
89.02435	16.8
95.01368	2.9
97.02962	4.4
99.00864	6.9
101.01799	2.8
101.02453	42.2
111.04501	2.4
113.02441	20.4
115.03975	3.1
125.02436	3.6
128.03596	2.7
131.03488	4.1
133.51842	1.9
135.04535	5.9
151.11241	1.8
159.02878	3.3
161.04576	20.9
163.07605	3.4
175.11250	4.1
179.05705	2.7
179.10829	2.2
191.05640	1.9
213.45438	1.9
221.11740	3.4
233.65291	1.6
237.11104	2.2
269.10281	29.4
293.08841	2.9
329.12415	4.6
401.14496	100.0
402.14938	9.0
403.44107	1.7
447.06390	2.1
461.16321	23.4
461.21524	3.0
462.19611	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39531	0.3
53.49093	0.4
59.01379	100.0
60.01729	0.7
61.98838	0.7
69.15097	1.8
71.01391	1.1
73.02985	0.5
84.85384	0.4
85.02930	0.5
89.02488	0.6
98.21870	0.7
101.02478	1.0
103.52725	0.4
113.02452	0.8
138.03290	0.5
139.07729	0.4
153.05684	0.6
161.04590	0.5
191.05598	0.8
257.08310	1.3
273.43323	0.4
341.23026	0.4
371.00943	0.4
461.13904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.3
61.98841	3.4
62.91807	1.0
70.63931	2.1
74.20290	1.2
87.36523	1.1
90.26482	1.0
97.28672	1.1
97.67438	1.2
106.04245	23.0
121.02913	2.1
127.78534	1.2
136.05273	3.3
138.03276	2.7
149.61609	1.2
151.04045	1.8
151.07657	5.4
168.04216	1.3
172.99577	1.0
173.22018	1.1
210.06786	2.4
251.94682	1.4
257.11823	100.0
258.12109	4.7
292.94394	1.6
461.20139	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	461.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62678	0.3
59.01379	2.9
61.98828	2.1
65.85246	0.4
70.78116	0.4
71.01366	0.5
93.03438	0.9
93.83785	0.3
98.21800	0.8
101.02434	0.5
106.04258	4.0
121.02991	0.4
122.03712	0.4
136.05304	13.5
137.06070	0.5
138.03201	0.4
151.04027	0.8
151.07651	25.6
152.07994	0.7
165.05573	2.3
166.06348	4.8
167.06738	0.4
242.09506	0.4
255.10306	1.1
256.10886	0.6
257.11832	100.0
258.12158	4.8
401.16122	1.4
419.17181	1.0
461.18506	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	461.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
59.01376	69.8
61.98840	4.4
69.03456	5.8
71.01384	40.6
72.99309	45.0
73.02944	100.0
74.02464	4.1
75.00854	3.6
75.47089	3.6
83.01351	3.6
85.02951	12.9
89.02441	26.8
93.03501	4.2
96.96021	13.2
97.02988	3.8
99.00847	4.6
101.02436	20.1
112.04037	5.4
113.02435	29.9
115.76139	3.5
119.03494	13.4
139.04034	11.0
153.01794	4.5
159.03050	4.6
161.04555	13.1
163.07965	3.6
166.05020	22.3
167.05466	15.7
179.05637	8.8
182.08203	11.3
183.08670	5.7
185.06731	3.8
191.05693	7.3
193.93716	3.7
203.57152	3.4
225.11334	12.3
226.11601	3.5
266.41058	4.3
269.10327	10.0
299.11301	12.4
347.11887	15.1
347.17126	8.6
401.14282	10.7
429.05081	4.1
461.20108	7.5
465.29645	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	461.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08047	3.9
55.29367	4.1
59.01374	61.6
60.34484	3.7
61.98832	4.8
69.03439	7.9
69.38957	13.3
69.39349	8.2
71.01378	38.3
72.53632	3.6
72.99309	43.3
73.02943	100.0
83.01362	6.1
83.05055	4.4
85.02929	9.9
87.00895	5.8
89.02439	26.4
95.05046	7.4
96.96014	10.2
98.21896	9.3
99.00886	4.1
99.14117	4.4
101.02422	24.5
112.04059	7.6
113.02448	34.0
119.03482	15.2
139.03999	24.6
153.01657	9.0
161.04549	15.9
166.05096	32.6
167.05429	18.5
179.05573	9.1
182.08163	8.8
183.06772	5.2
183.08537	8.6
184.06102	5.5
203.18163	5.2
207.10123	7.6
225.11198	11.8
299.11108	4.6
347.11856	19.0
347.17014	14.9
461.07175	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88273	0.2
54.56483	0.2
56.86855	0.2
59.01375	0.5
63.76526	0.3
65.19384	0.3
67.20743	0.3
69.37434	1.4
71.81529	0.2
78.95903	6.4
84.25032	0.3
97.52438	0.3
99.62934	0.2
103.08914	0.2
109.19921	0.2
125.00089	2.0
152.99583	0.9
181.02740	2.0
199.03778	3.0
236.80482	0.3
247.66148	0.3
279.23282	100.0
280.23621	6.1
461.26721	9.6
461.32135	0.2
462.26797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.327
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
54.38700	0.7
55.78544	0.7
65.03944	1.3
70.45030	1.7
78.95905	3.5
109.02957	0.9
111.00880	0.8
121.02952	8.8
122.03722	4.6
125.02431	0.9
136.01633	1.6
137.02414	2.3
139.00394	5.6
139.04008	1.9
152.99573	4.3
165.01915	3.5
166.02565	0.9
176.08411	9.8
177.09186	9.7
179.07118	5.7
191.07159	2.6
220.07089	1.1
221.08130	7.9
224.29826	0.9
293.24905	1.0
342.99979	0.7
408.16397	0.8
461.32703	100.0
462.33005	9.3
479.91025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3271
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
58.01496	0.4
70.64128	1.1
95.01388	1.6
103.28989	0.5
105.03444	2.3
106.04241	31.4
107.05033	31.0
108.05383	0.9
109.02953	12.0
113.97047	0.5
115.52878	0.4
121.02950	11.3
122.03738	4.9
123.00883	0.7
130.87544	0.5
133.02971	0.6
135.04523	1.6
137.02440	1.5
138.03172	0.5
143.04991	1.4
149.02394	1.2
149.63260	0.5
150.03220	17.4
151.04010	16.0
157.06610	1.2
158.07373	1.6
159.08156	1.7
161.06062	1.1
176.03484	0.5
193.48264	0.4
201.98380	0.5
203.07123	1.1
216.22417	0.5
264.42236	0.6
297.87012	0.5
343.85934	0.5
347.29517	0.7
389.27103	1.0
391.28516	87.7
392.28860	7.1
441.32321	0.5
443.31656	6.5
461.32715	100.0
462.33102	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	461.3271
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
61.98820	0.8
69.56618	1.4
69.56978	0.9
71.05006	1.1
93.03459	0.5
95.01389	0.9
96.02956	0.4
106.04271	0.5
107.05019	0.6
118.04259	2.1
119.05016	3.4
121.02946	4.1
123.04496	0.6
125.78445	0.5
143.04970	2.3
147.04507	0.5
149.02486	1.1
157.06609	1.9
158.07379	5.2
158.78862	0.6
159.08156	7.0
160.08417	0.6
161.02382	0.6
161.06084	5.1
162.03265	1.0
163.04001	1.5
175.07648	0.6
176.08376	1.5
177.09166	0.8
179.07088	0.7
187.03989	1.6
203.07104	4.9
221.08183	3.5
376.35190	0.5
391.28415	1.0
403.28458	6.0
435.14087	0.5
443.31622	23.3
444.31641	2.3
445.29401	1.1
455.32251	0.5
461.32730	100.0
462.33191	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	461.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	0.7
61.98836	0.3
69.16751	1.2
91.03997	1.0
98.21887	0.5
112.45184	0.2
145.73819	0.2
160.84071	0.2
162.83832	0.3
165.24582	0.2
192.25841	0.2
211.56142	0.2
280.10941	0.3
316.73953	0.2
327.28995	2.4
401.83878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53142	0.5
57.05356	0.3
59.01377	100.0
60.01711	0.6
61.98839	0.6
78.95918	1.5
84.29037	0.3
85.55010	0.3
91.04030	0.7
97.26388	0.3
121.02937	0.4
124.67697	0.4
125.00130	0.4
127.74274	0.3
199.03722	0.5
279.23273	18.1
280.23904	1.0
287.83286	0.3
307.12704	0.3
327.29074	1.8
461.26837	1.1
461.33081	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	461.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79691	0.4
59.01377	100.0
60.01710	0.4
70.92189	0.8
76.63148	0.4
77.39123	0.6
90.29910	0.4
105.13322	0.5
120.25987	0.4
327.29211	0.6
417.42798	0.5
445.91843	0.5
449.14166	0.5
484.67642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95245	1.0
56.45481	0.9
59.01377	100.0
60.86615	1.0
71.31615	1.3
107.90376	1.1
122.99596	1.0
144.53740	1.0
224.94949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01586	3.0
59.01385	17.7
61.98823	12.5
69.28344	17.2
76.47487	3.0
81.89967	5.1
93.03434	4.8
93.23111	3.0
98.21911	6.9
98.65218	3.1
102.06749	2.9
106.04237	13.5
115.47883	3.2
117.19549	3.0
136.05339	4.4
151.07637	7.6
162.84921	3.5
193.84084	3.2
208.10463	5.0
227.88304	3.4
257.11823	100.0
258.12146	8.0
381.62482	5.9
462.21014	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	462.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	15.8
57.03436	3.6
58.02959	3.1
59.01374	7.3
61.84341	1.4
61.98825	19.2
67.01891	7.2
68.99825	1.8
69.03448	2.4
69.26105	5.3
69.26508	3.3
73.02948	43.0
81.02212	1.6
82.02983	2.8
83.05026	2.0
84.04556	7.2
85.02954	3.7
87.00874	3.6
87.04517	6.9
88.77594	1.7
91.36850	1.6
93.03430	1.8
93.07105	1.5
94.02980	7.1
95.05009	4.6
96.04552	41.8
97.02971	1.7
97.06574	2.7
98.06120	1.5
99.04535	2.0
107.03800	1.9
107.05024	5.4
108.04555	20.4
109.02931	3.5
109.06554	4.9
110.06132	3.7
112.04121	1.6
121.06598	12.0
122.03715	4.1
123.04518	10.4
125.06088	9.0
125.99609	11.4
126.05643	2.1
135.04504	4.8
135.08151	4.1
136.07655	4.7
137.06087	15.2
138.03239	7.9
138.09238	16.9
141.01936	5.7
147.08182	2.2
148.07791	1.5
150.03139	1.4
151.04047	2.1
153.05568	6.9
154.08730	11.1
161.06026	2.7
162.09206	2.6
163.07619	4.9
164.07158	48.3
165.05539	6.2
171.90953	1.6
175.07671	2.8
182.08214	44.9
182.11884	1.4
183.08417	1.8
191.05574	2.4
193.08627	1.6
194.11885	2.0
196.09854	2.0
218.11810	3.5
251.41156	1.5
276.16074	7.4
314.17612	12.8
316.15518	2.8
320.15002	100.0
321.15344	5.3
342.17081	31.6
343.17276	2.1
358.16559	13.3
374.19788	4.2
386.16400	3.4
390.19205	55.1
391.19553	2.5
418.18695	75.9
419.18878	4.0
430.15054	28.9
432.16614	5.1
450.93286	1.6
462.11301	4.4
462.17657	16.0
463.25351	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	462.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91808	0.5
55.01875	0.6
59.01365	1.3
61.98825	1.5
67.58275	0.5
69.27047	2.5
71.01382	3.0
73.02940	1.1
74.04491	0.5
83.01431	0.6
85.02943	1.2
100.72553	0.4
101.02438	1.3
113.02430	1.9
136.05313	10.5
150.03316	0.6
151.07646	1.8
161.04544	4.5
179.08656	0.6
181.10191	4.1
225.09163	3.1
257.11835	100.0
258.12134	6.6
419.17188	1.8
433.61514	0.5
462.21149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1916
Annotation	4-hydroxy Nonenal Glutathione
Peak:m/z	Relative Intensity
57.03445	1.4
58.02966	6.4
59.01372	8.5
61.98832	2.9
67.01839	1.4
69.58939	4.3
71.01379	3.4
73.02930	2.7
74.02467	15.7
82.02991	2.8
85.02954	2.5
86.02475	4.5
86.99109	1.5
87.05624	1.2
89.02439	2.4
90.00179	1.8
91.43432	1.3
93.03444	1.8
98.21865	1.2
99.05650	13.3
101.02436	2.1
101.07194	2.4
102.05606	1.8
109.04105	1.4
109.07715	1.1
111.05644	1.9
112.04038	2.5
116.03529	1.3
125.03574	2.4
127.04045	2.1
127.05150	2.8
128.02570	1.8
128.03535	37.1
135.05644	4.5
141.06738	2.7
143.04623	51.9
143.05740	2.9
143.09041	1.3
145.06245	1.2
146.04593	3.3
153.06703	4.1
155.08295	1.7
160.00752	13.2
166.09923	1.9
167.04649	3.0
167.08261	1.9
170.03346	1.7
173.04568	3.0
177.03378	5.1
179.04636	10.4
185.05679	1.6
191.05646	14.1
197.05669	1.5
210.08852	9.9
229.01385	1.8
254.07800	15.8
272.08862	23.7
273.09302	1.5
288.06665	8.2
306.07642	100.0
307.07825	2.1
323.07208	1.4
383.07471	1.8
462.18521	4.3
463.21631	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	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52949	0.4
52.71482	0.4
59.01378	10.9
60.01707	0.9
61.98828	100.0
67.21227	0.3
71.01369	0.9
71.89608	0.4
73.02972	0.6
85.02951	0.6
89.02438	0.5
91.20605	0.4
93.03464	0.7
93.96598	0.4
101.02438	0.6
113.02463	1.0
137.02505	0.4
139.04012	0.9
147.60474	0.4
162.48570	0.5
176.04092	0.6
184.50781	0.4
197.11911	0.4
213.98457	0.4
225.69664	0.4
227.09586	0.5
380.61987	0.4
461.34424	0.4
462.18390	0.6
463.25684	0.5
480.05768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46571	0.5
52.97110	0.4
55.33057	0.7
65.00311	1.5
68.29581	0.5
69.87497	0.8
69.87858	1.3
70.21362	0.5
71.01366	0.9
85.02956	0.5
89.02425	0.7
98.21883	0.5
107.01376	2.6
108.02163	1.6
108.70650	0.5
109.02965	1.4
121.02967	2.0
123.43022	0.5
135.00925	0.8
145.20476	0.5
148.01646	1.2
150.99162	1.1
151.00356	13.7
151.20619	0.6
163.00366	3.0
164.01190	0.7
178.99837	5.5
187.04111	0.5
199.04008	0.8
201.05621	0.6
211.03963	0.9
215.03493	0.8
216.04153	0.5
226.02687	1.5
227.03406	2.9
243.02954	12.0
244.03534	0.6
245.04367	0.8
245.15656	0.5
254.02168	2.7
255.02966	23.7
256.03336	1.4
266.98294	0.5
271.02460	55.9
272.02988	3.9
273.03973	1.3
283.02505	1.4
299.01993	1.1
300.02722	100.0
301.03488	49.3
301.07104	1.2
302.03879	1.4
306.86096	0.5
392.47412	0.5
404.99582	0.5
463.08786	77.6
464.09055	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	463.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86002	2.0
57.74725	2.2
59.01378	22.1
59.01669	3.3
61.98832	19.6
69.96693	3.5
69.97031	5.8
71.01376	14.2
71.05019	7.3
73.02943	5.1
73.48577	2.9
83.01378	3.7
85.02943	5.4
87.00891	6.0
89.02428	11.6
93.03445	5.3
97.02940	10.3
101.02445	9.1
108.02212	2.9
109.02934	4.4
111.00862	4.8
113.02439	11.1
115.04005	55.7
119.05008	3.6
122.03725	8.2
125.02482	3.4
128.03490	2.5
130.08746	6.3
137.02429	17.7
139.03993	3.7
146.06108	8.4
147.08162	3.3
149.02501	3.2
150.03279	3.2
151.00323	4.0
159.02975	100.0
163.04015	5.3
164.07166	2.7
179.05562	3.0
191.05565	8.7
191.07152	14.8
217.04938	4.5
219.06616	6.3
240.81862	2.4
251.73697	2.4
255.02908	11.5
263.12823	5.3
265.14511	13.1
271.02469	26.5
300.02707	37.1
301.03482	15.5
303.08713	8.5
336.93530	3.2
349.18698	3.1
357.13394	50.3
383.11118	4.6
401.12408	8.7
417.11792	3.7
428.18152	3.8
463.07629	10.9
463.12302	34.0
463.20749	12.0
463.26498	5.1
464.12955	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	463.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07990	0.9
53.05525	0.9
53.43784	1.1
57.03427	1.5
59.01377	23.6
59.94968	0.9
61.98824	5.9
64.02224	0.8
67.33900	1.0
68.99544	1.9
69.03457	3.4
69.20386	4.3
69.20802	2.2
71.01379	17.4
71.05008	5.7
73.02939	4.5
82.02967	1.1
83.01382	3.6
83.05013	1.6
85.02960	5.4
87.00889	1.4
87.04479	2.1
89.02447	12.5
93.03455	1.8
95.01335	1.6
95.05032	2.0
97.02944	10.2
99.00876	1.3
101.02446	8.1
103.05102	1.1
107.05040	1.4
108.02171	2.2
109.02917	1.1
111.00891	4.8
113.02438	12.9
115.04009	57.1
119.03493	4.4
121.02985	2.0
122.03738	5.4
124.01641	1.4
125.02425	1.3
134.03728	2.4
134.10921	0.9
136.01657	8.8
137.02449	20.3
137.06075	1.9
138.03220	1.7
139.04063	1.0
146.06116	6.7
147.08127	3.5
149.02463	2.7
149.06117	1.2
149.09653	1.5
149.50249	1.2
150.03191	2.8
151.00427	2.1
151.04010	16.9
151.07657	1.6
159.02994	100.0
160.03302	2.0
161.02458	1.5
161.04568	6.6
163.03987	2.7
163.07640	2.7
164.07124	2.4
165.01901	3.2
165.05530	1.6
166.02672	1.5
167.03448	1.2
173.06058	1.1
174.66205	1.0
176.04837	1.3
177.05486	1.1
179.05644	2.1
179.07138	2.0
187.13437	2.1
189.05511	1.1
191.03426	1.3
191.05545	3.3
191.07132	16.1
192.07837	1.8
193.08643	2.5
201.05492	1.4
202.02643	1.5
202.06351	1.4
203.07220	1.3
204.04214	5.3
209.11833	26.8
217.05040	4.1
217.08597	1.5
219.06607	7.1
220.07373	1.4
227.12906	4.3
241.08737	1.2
241.11856	1.1
244.07443	2.4
253.09265	3.4
255.02998	3.1
259.09686	1.5
261.07703	2.3
265.14432	12.7
271.02408	6.3
272.02988	1.3
274.12210	1.2
289.14493	2.8
298.11893	1.3
300.02789	12.2
301.03360	4.7
303.08691	10.1
311.07242	1.3
313.14230	1.5
315.21939	1.2
339.12079	1.2
349.14438	2.2
349.18665	36.8
350.19101	1.2
357.13400	45.8
358.13797	1.7
383.11417	4.2
401.12375	10.4
417.11624	2.7
417.53207	1.1
419.13373	1.8
445.10977	2.0
463.13101	28.1
463.26392	5.3
464.12704	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	463.1246
Annotation	Okanin 4-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
57.03419	0.5
59.01377	3.8
61.98825	0.3
65.00310	1.0
68.56314	0.2
69.06584	0.7
69.07003	0.7
71.01376	1.3
73.02943	0.5
80.02678	0.4
81.91142	0.2
83.01381	1.8
85.02941	0.5
87.00883	0.4
89.02443	1.1
93.03471	0.5
95.05000	0.5
99.00874	0.2
101.02449	1.3
107.01379	2.6
107.46090	0.2
108.02174	2.2
111.00877	0.3
111.04498	0.3
113.02420	1.4
113.06093	0.3
119.03472	0.3
124.01612	0.5
125.02449	4.2
134.03732	4.7
135.04517	0.6
136.01666	5.0
136.07651	0.3
137.02228	0.2
139.03014	0.4
139.04016	5.0
149.06088	1.0
151.00366	8.4
152.01031	0.4
158.03729	1.4
161.02409	0.2
161.04546	0.6
164.01149	15.0
165.01491	0.4
170.50026	0.2
172.05397	0.3
173.04597	0.4
173.06059	0.6
173.59914	0.2
174.03183	3.0
175.03946	0.4
176.04869	0.3
177.01927	0.5
179.05609	0.3
183.04535	0.3
185.02504	0.4
187.04047	0.5
188.04709	0.4
191.05626	1.1
191.07172	0.4
196.00121	1.8
199.03983	3.2
199.13350	0.4
200.04663	1.3
201.01918	2.9
201.03957	0.5
202.02647	0.5
208.94496	0.2
209.11861	0.7
213.05576	0.5
214.06291	1.4
215.03452	1.7
215.07031	0.5
216.04247	0.7
217.05060	1.0
224.04796	0.4
225.05487	0.2
227.03448	1.1
227.12817	1.2
230.05777	0.3
233.08138	0.5
240.04216	1.0
241.05060	1.6
242.05829	6.4
255.02824	0.4
257.08212	3.1
257.12939	0.6
258.05280	1.9
268.03720	0.9
271.02405	0.5
283.06036	1.3
285.03998	1.3
286.04800	7.9
287.05246	0.3
300.02734	0.8
301.07147	100.0
302.07513	5.3
305.15952	1.6
343.08191	0.5
376.17578	0.2
463.08514	0.3
463.25836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01371	8.3
61.98828	4.5
63.02370	1.9
65.00295	1.8
69.03445	1.7
70.14642	0.8
71.01365	4.8
71.05014	4.7
73.02940	1.5
80.02690	0.8
82.71796	0.8
83.01382	4.3
83.05015	1.0
85.02935	1.8
87.00845	0.8
87.04501	2.6
89.02426	3.1
93.03420	2.9
95.05016	2.2
97.02927	8.4
97.68491	0.9
99.00935	1.0
101.02419	3.4
104.22324	0.9
107.01405	4.0
108.02173	2.0
109.02937	1.8
113.02453	3.0
115.04000	60.2
119.03516	1.2
121.02927	6.7
122.03767	4.7
123.04510	2.6
125.02425	3.0
130.08725	1.1
134.03693	1.8
135.04477	1.4
136.01720	0.8
137.01440	1.2
137.02438	21.5
137.06067	1.8
138.03233	1.9
139.03938	2.4
145.02917	1.0
146.06017	0.8
147.04597	0.9
147.08145	3.6
149.02434	2.4
149.09671	1.7
150.03188	3.1
151.00351	21.3
151.07634	1.6
159.02980	100.0
160.01625	2.1
160.03273	1.4
160.05264	1.9
161.02405	1.2
162.03291	0.9
163.00363	1.1
163.03979	3.0
163.07613	2.7
165.01904	3.0
165.05540	1.8
175.03954	2.5
178.99860	8.9
179.07106	1.6
189.05548	1.3
191.05560	3.1
191.07120	14.7
192.07869	1.6
193.08658	2.3
196.66040	0.9
201.05457	1.2
202.02693	1.3
202.06302	1.4
203.03574	1.3
203.06877	0.8
204.04211	2.6
207.06616	1.2
209.11797	19.9
217.05022	7.0
217.08549	1.3
219.06564	7.6
220.07318	2.8
227.12842	3.3
243.02820	1.2
244.07344	1.7
245.04393	1.2
253.09230	2.4
255.02959	3.4
261.07553	2.7
261.75201	0.9
265.14398	5.0
271.02505	7.2
272.02914	0.9
273.04010	1.2
281.04407	1.2
283.06299	1.1
289.14285	1.6
298.11954	1.5
300.02725	12.0
301.03506	53.5
302.03928	3.0
303.08682	8.1
304.09164	0.8
349.18823	1.4
357.13379	48.1
358.13776	2.3
359.20578	1.9
383.11285	5.2
401.12366	12.1
417.12158	4.1
427.15796	1.4
427.29208	2.4
428.73090	0.8
445.07916	3.6
463.12738	43.6
463.25400	9.3
464.12494	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	463.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71201	1.5
55.01869	2.2
56.23729	1.1
57.03448	1.2
58.00586	2.2
59.01379	87.5
69.03441	7.4
69.34032	4.8
71.01382	75.0
71.01717	1.3
72.99332	1.5
73.02948	10.7
75.00886	2.9
81.03454	4.7
83.01379	5.0
85.02934	7.7
87.00868	2.4
89.02446	100.0
94.98083	3.3
95.01378	2.6
97.02963	12.2
97.50808	1.0
99.00880	20.6
99.04529	1.5
101.02439	17.3
104.81895	1.2
109.03000	1.2
111.00861	11.0
113.02462	7.4
113.49781	1.1
115.04042	7.6
119.03492	2.8
120.99673	2.5
125.02452	49.5
127.04007	2.4
131.03508	12.2
134.03732	1.9
135.04515	2.1
137.02464	1.4
139.00377	79.0
140.01196	1.8
143.03502	3.2
149.04572	16.2
151.03941	1.4
153.05563	3.3
154.02721	79.7
155.03345	2.0
161.04625	2.4
169.05057	35.1
173.04610	1.9
179.29228	1.4
190.89093	1.1
191.05602	10.9
193.05011	2.8
215.05719	1.2
233.06670	49.6
234.06824	1.3
259.09763	1.2
269.96857	1.3
283.04935	1.1
293.08801	44.3
294.09109	1.1
398.02011	1.4
450.63159	1.1
463.14563	47.8
464.15009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34700	2.6
59.01382	11.2
69.20074	8.1
71.01380	6.5
71.05012	5.1
72.99306	2.9
81.46931	2.4
87.04518	9.9
89.02446	7.3
99.04512	24.6
101.02457	3.3
112.94264	2.2
115.03998	16.4
119.03512	2.5
130.96568	3.4
131.03555	14.2
134.07172	2.5
139.00229	2.4
139.04030	3.4
143.03499	97.3
144.03862	3.1
144.98199	2.3
151.19933	2.3
161.04564	100.0
162.04871	2.7
170.99773	8.2
173.01335	6.7
186.99228	32.3
199.00151	7.9
213.04697	3.4
217.00310	58.8
229.00250	14.1
230.99106	2.5
241.03867	5.2
259.01401	7.1
269.03424	3.4
285.02841	4.3
300.95596	3.0
301.02402	5.1
307.15247	2.3
313.02420	42.7
330.99573	5.3
331.03400	63.6
343.03467	7.5
374.99118	5.3
402.98807	4.4
420.99634	6.8
463.00494	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	463.1548
Annotation	Chaetomugilin B
Peak:m/z	Relative Intensity
57.60270	1.8
59.01358	3.5
63.81643	2.0
75.21011	1.9
78.95911	2.6
79.01903	2.6
87.00917	2.4
92.05668	1.9
101.22484	1.9
121.08263	2.3
141.88638	1.9
152.99509	2.3
186.52240	2.0
193.10184	8.5
217.00238	3.1
257.09692	4.0
283.11179	3.2
284.11911	3.7
285.09122	13.2
286.09717	3.6
295.22675	3.6
299.10721	12.9
300.11597	12.9
312.07980	4.2
313.08694	5.8
314.09399	3.5
315.10165	2.5
327.10336	10.3
328.11063	13.1
329.08066	2.6
330.08911	2.1
332.10522	6.1
337.21249	2.0
343.09540	2.3
344.10428	2.8
347.17993	5.0
348.15009	3.3
372.09897	3.1
375.13614	3.3
375.17612	19.3
376.14380	10.1
391.17035	31.2
403.13019	2.5
404.14133	6.5
407.12943	2.3
419.16550	44.0
435.16046	18.6
463.15491	100.0
464.15985	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	463.1609
Annotation	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one
Peak:m/z	Relative Intensity
58.58410	0.8
59.01376	8.3
60.71684	0.7
61.98825	17.7
64.02526	0.7
69.21667	4.8
71.01369	5.4
73.02945	1.9
78.95904	46.5
80.76485	0.8
83.01385	1.4
85.02917	1.8
85.06570	1.4
87.00854	0.8
89.02440	4.7
91.05486	0.9
95.01366	0.9
96.96948	3.2
97.02911	1.0
101.02411	2.6
107.05014	1.6
109.06574	2.7
111.04477	1.8
113.02449	1.3
121.02859	1.2
123.04529	9.1
125.06090	0.9
127.03963	0.9
135.04488	2.2
143.03548	0.8
148.05313	2.0
149.02417	0.8
149.06038	1.2
151.04007	5.1
152.99586	6.9
153.05579	15.0
158.12997	0.7
164.04767	2.2
164.16742	0.7
170.37462	0.9
171.00636	18.7
173.06044	2.7
179.03497	1.7
180.04242	1.5
185.09685	3.5
217.00279	1.5
237.09221	0.8
239.10695	3.5
241.12355	8.1
255.10255	13.9
257.08136	2.5
257.11752	1.3
269.11716	0.8
283.09732	6.7
285.11310	19.5
301.14209	1.0
331.10217	3.6
389.94995	0.8
463.15894	100.0
463.21072	10.3
464.16223	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	463.1613
Annotation	Glaucolide A
Peak:m/z	Relative Intensity
57.03448	1.4
58.13786	0.8
59.01380	27.1
61.98832	3.3
68.99833	1.1
69.03462	1.2
69.26392	2.3
69.26794	3.4
71.01375	6.8
72.99325	2.0
73.02935	2.6
73.91704	1.1
74.34696	1.0
81.03448	1.1
83.01394	1.2
83.05023	2.2
85.02951	13.0
87.00849	1.0
89.02452	5.0
93.03451	2.2
95.04990	1.5
97.02949	3.0
97.06590	0.9
99.00875	1.1
101.02425	6.0
107.05032	2.0
109.02961	2.2
111.00845	1.4
111.04548	2.9
113.02440	5.8
119.03448	1.5
119.04986	1.0
120.41734	0.9
120.73624	0.9
123.04525	4.0
125.02453	1.8
125.06065	2.2
127.04019	2.0
127.76450	0.9
131.04990	1.9
133.02994	1.1
134.03728	1.1
135.04567	1.8
137.02484	1.7
137.06070	1.3
139.04054	1.4
145.06537	1.1
147.08247	1.3
149.02451	1.2
149.06059	5.6
151.04007	4.5
153.05560	2.2
157.06570	3.5
161.02477	2.4
161.04582	1.3
164.04742	1.9
164.07127	1.3
165.05669	1.0
173.04636	2.1
173.06061	13.5
175.03976	1.1
175.07730	1.0
179.03505	1.0
191.03622	1.4
191.05602	4.6
203.07140	3.7
239.10826	1.1
241.08765	3.5
243.10316	2.8
245.08189	17.8
255.10239	1.3
257.08267	1.6
257.11832	1.6
259.09851	1.7
269.11676	1.0
270.08990	1.4
283.09772	3.4
285.11398	3.8
308.10724	1.0
313.10977	1.1
325.34625	1.0
329.08896	1.5
331.17487	2.0
343.11783	1.2
356.93341	1.0
403.14166	4.5
421.15118	7.0
463.16119	100.0
463.21753	6.0
463.26483	2.6
464.16107	6.3
481.22900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.13786	0.8
59.01380	27.1
61.98832	3.3
68.99833	1.1
69.03462	1.2
69.26392	2.3
69.26794	3.4
71.01375	6.8
72.99325	2.0
73.02935	2.6
73.91704	1.1
74.34696	1.0
81.03448	1.1
83.01394	1.2
83.05023	2.2
85.02951	13.0
87.00849	1.0
89.02452	5.0
93.03451	2.2
95.04990	1.5
97.02949	3.0
97.06590	0.9
99.00875	1.1
101.02425	6.0
107.05032	2.0
109.02961	2.2
111.00845	1.4
111.04548	2.9
113.02440	5.8
119.03448	1.5
119.04986	1.0
120.41734	0.9
120.73624	0.9
123.04525	4.0
125.02453	1.8
125.06065	2.2
127.04019	2.0
127.76450	0.9
131.04990	1.9
133.02994	1.1
134.03728	1.1
135.04567	1.8
137.02484	1.7
137.06070	1.3
139.04054	1.4
145.06537	1.1
147.08247	1.3
149.02451	1.2
149.06059	5.6
151.04007	4.5
153.05560	2.2
157.06570	3.5
161.02477	2.4
161.04582	1.3
164.04742	1.9
164.07127	1.3
165.05669	1.0
173.04636	2.1
173.06061	13.5
175.03976	1.1
175.07730	1.0
179.03505	1.0
191.03622	1.4
191.05602	4.6
203.07140	3.7
239.10826	1.1
241.08765	3.5
243.10316	2.8
245.08189	17.8
255.10239	1.3
257.08267	1.6
257.11832	1.6
259.09851	1.7
269.11676	1.0
270.08990	1.4
283.09772	3.4
285.11398	3.8
308.10724	1.0
313.10977	1.1
325.34625	1.0
329.08896	1.5
331.17487	2.0
343.11783	1.2
356.93341	1.0
403.14166	4.5
421.15118	7.0
463.16119	100.0
463.21753	6.0
463.26483	2.6
464.16107	6.3
481.22900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	62.1
61.98834	16.4
69.03459	1.9
69.18221	9.1
71.01378	15.8
73.02945	25.5
78.95905	62.5
80.29137	1.4
83.01379	5.6
83.01834	1.8
85.02954	6.0
89.02444	6.0
91.04003	12.2
93.03476	3.0
96.96966	6.4
101.02446	19.3
104.14053	1.5
107.71035	1.4
113.02460	10.3
119.03503	2.7
121.02949	20.3
131.43390	1.3
135.04489	1.6
143.03513	1.5
149.04515	1.3
149.06071	2.9
150.06850	15.5
152.99591	31.6
161.02435	2.6
161.04544	5.5
166.52084	1.5
171.00629	16.1
180.80931	1.6
192.85197	1.3
210.10614	1.9
211.13414	7.0
217.00204	2.5
225.09108	1.5
227.53691	1.6
229.14462	5.5
241.12329	44.5
253.08664	1.9
254.09480	1.7
286.12061	22.6
287.12076	2.0
301.14456	100.0
302.14813	5.0
311.22247	5.5
320.28986	1.5
329.23373	39.7
419.23190	1.7
463.21115	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	463.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
58.00596	0.9
59.01380	100.0
60.01725	1.0
61.85600	0.6
61.98831	60.9
67.80130	0.6
69.03471	1.3
69.20556	2.0
69.20979	1.7
71.01379	25.9
72.99342	1.1
73.02948	72.9
73.59866	0.6
74.03281	0.9
75.00895	1.4
78.95912	2.0
83.01389	14.8
84.97456	0.6
85.02943	3.9
87.00881	0.9
89.02444	8.1
91.04028	1.1
92.36584	0.6
93.03464	0.7
95.01403	1.1
97.02977	1.0
98.21783	0.6
101.02447	47.2
113.02454	12.3
114.87673	0.6
119.03521	2.4
125.02461	1.4
131.03485	3.9
136.05338	0.9
139.11357	0.9
143.03494	3.2
149.04546	2.9
151.07692	0.7
152.99591	1.4
155.03566	1.3
161.04578	8.2
163.07681	1.1
165.05722	0.6
166.06303	0.6
171.10286	2.4
203.05653	0.9
211.13348	0.6
221.06776	1.5
225.48524	0.6
254.13168	2.1
257.11694	3.0
258.12320	2.3
259.12479	3.0
278.38406	0.7
284.14307	1.0
301.14520	1.1
329.23282	6.9
329.26324	0.7
463.21713	0.9
482.85028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37081	4.7
57.03427	5.5
59.01375	86.5
60.99681	4.1
61.98819	8.6
67.40923	4.4
69.03440	5.3
69.11904	28.5
71.01382	28.9
73.02928	14.1
81.73278	4.9
83.01383	6.6
85.02982	6.4
87.00878	5.2
89.02442	29.4
101.02431	18.0
112.01655	5.5
113.02446	47.6
116.92863	5.6
117.39812	4.1
119.03474	11.2
129.05634	4.2
162.09242	8.4
179.05630	4.7
191.05591	9.1
197.91211	4.4
198.27394	4.6
209.11823	7.1
246.15070	8.3
261.13364	10.4
271.02319	4.8
274.14478	6.4
292.15366	5.5
300.02606	9.2
301.03201	5.2
344.18558	4.8
349.18661	23.0
388.17587	7.3
406.13751	9.2
406.18683	100.0
407.19022	10.2
408.88202	4.1
420.20184	12.0
431.82166	4.6
463.09641	6.6
463.25446	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43330	18.1
59.01369	32.4
59.27716	13.3
61.98830	86.2
62.78265	15.2
63.35664	14.2
71.18050	17.8
78.95898	65.0
126.00530	16.4
148.83658	17.2
152.99594	100.0
160.84364	15.1
177.92928	17.1
217.00256	41.1
225.09206	33.0
256.48456	16.7
262.03000	15.1
375.38428	16.0
403.15652	21.6
422.35687	16.2
428.17200	33.7
463.21707	20.0
475.51611	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	463.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91716	16.2
55.06195	20.4
57.97556	49.4
59.01369	68.7
61.98816	71.4
69.95626	63.3
78.95893	28.1
96.96018	55.6
124.00980	74.6
125.01787	26.0
138.27150	19.4
140.00572	23.6
140.13058	21.0
152.99605	56.5
156.18672	18.2
163.07686	53.8
167.99863	25.3
208.59346	19.7
217.00232	87.9
254.13127	61.6
286.01685	21.9
419.23572	22.4
433.20358	56.6
463.16321	100.0
463.22626	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.10119	0.3
57.03450	0.9
58.00591	0.5
59.01377	22.5
60.97277	0.3
61.98827	2.8
65.00319	0.4
69.03463	0.5
70.30875	0.7
71.01381	10.2
72.99304	0.5
73.02943	2.6
75.00868	5.4
75.08186	0.3
80.02673	1.2
81.03465	1.4
82.95419	2.5
83.01390	1.4
83.05023	4.8
83.09895	0.3
84.02185	0.9
85.02953	3.5
85.12052	0.3
87.00868	1.5
88.98853	0.5
89.02444	11.9
93.03482	1.3
95.01374	1.0
95.05016	2.4
96.96010	10.3
96.96654	0.5
96.96972	1.0
97.02940	0.5
98.22621	0.4
99.00880	1.0
100.93366	0.6
101.02441	8.5
107.01376	0.4
107.05016	1.1
107.50879	0.4
109.02958	0.3
109.06580	0.5
111.04517	0.4
113.01711	0.5
113.02455	5.7
113.06026	0.4
113.92639	0.4
114.93375	0.5
115.92081	0.6
116.92849	1.1
119.03480	3.7
121.02930	0.7
123.04539	0.4
125.02472	0.6
125.06068	0.6
125.73738	0.3
131.03500	0.8
135.04521	0.9
135.08160	0.6
139.04013	16.3
140.04233	0.3
143.03481	1.3
148.86018	0.3
149.04567	0.9
151.00362	1.0
151.03996	6.5
152.01039	0.4
153.09241	0.6
161.04530	3.8
163.11281	3.2
165.12860	2.1
173.04524	1.0
176.30885	0.3
178.99867	0.5
179.05614	5.7
180.78563	0.3
181.12366	0.8
191.05620	2.8
191.10762	0.9
196.50372	0.4
209.11823	100.0
210.12109	3.5
223.13199	0.4
227.12874	16.3
235.08195	0.4
241.07201	0.9
245.08139	0.7
251.11290	1.0
253.09285	12.5
259.09811	0.4
269.01099	0.4
271.06104	0.6
299.14212	0.8
300.02719	1.1
300.52896	2.0
301.03085	1.1
305.12357	0.8
331.17633	0.5
343.12900	0.6
349.08115	0.9
349.11566	0.6
349.15012	1.0
349.18683	0.4
365.44446	0.4
373.13959	1.0
381.05032	0.4
381.55615	3.2
382.05746	1.4
382.55661	0.4
403.19763	2.0
409.25809	0.3
410.88300	0.4
419.15680	2.3
462.58221	1.0
463.16501	0.6
463.22351	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80441	0.9
55.01880	6.7
57.03455	5.6
59.01379	77.6
59.53850	0.8
61.98823	3.5
69.03461	7.5
69.81445	2.2
69.81763	1.3
71.01381	82.4
72.99313	1.5
73.02943	31.3
75.00862	4.4
80.02686	2.1
81.03441	2.7
82.95413	1.5
83.01394	9.2
83.05018	4.4
85.02464	1.7
85.02953	32.2
87.00867	5.1
87.04503	1.3
89.02446	31.9
93.03411	2.0
95.01355	4.4
95.05003	3.4
96.96002	4.3
97.02922	3.7
99.00875	9.3
99.04471	1.8
99.92565	1.1
101.02441	59.9
101.26942	1.0
103.19225	1.0
109.02952	1.4
111.22894	0.9
113.02450	59.2
113.06122	1.2
115.04012	1.8
116.92871	7.0
119.03510	9.8
125.02447	3.4
125.06005	0.9
127.04037	1.7
129.01898	1.2
131.03484	2.8
134.03761	1.3
135.04547	2.7
139.03032	1.7
139.04021	25.7
143.03481	4.6
149.04564	1.8
149.06052	1.0
151.00337	1.9
153.05618	1.0
153.09210	1.2
159.02969	6.0
161.04561	43.1
163.11256	4.0
165.05597	1.1
165.12845	1.7
173.04524	1.8
179.05618	5.2
191.05617	6.7
209.11826	100.0
210.12158	2.9
215.12917	1.1
227.12875	15.3
233.06607	1.5
253.09302	12.6
289.07135	1.6
301.03427	3.9
331.17596	21.0
332.18097	1.4
349.18680	67.8
350.18915	3.6
370.28491	1.0
381.55347	1.5
393.17642	1.5
403.19693	1.9
413.66000	1.0
419.19177	2.3
463.21786	97.0
464.22275	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03431	1.6
58.00576	1.5
59.01379	100.0
61.98819	0.9
69.03465	5.5
69.33997	0.8
70.07926	0.8
71.01379	45.6
71.43249	1.2
72.99297	0.8
73.02931	2.9
74.57341	0.8
81.03441	1.1
83.01383	1.6
85.02944	7.7
87.00863	3.3
89.02444	72.4
93.03461	2.0
95.01402	2.8
95.05053	4.1
101.02440	23.2
107.04996	0.8
109.06567	0.9
113.02449	40.1
113.06080	2.2
115.04017	1.6
119.03512	27.4
121.02937	5.4
125.02448	1.1
131.03488	3.8
137.02438	2.7
138.03204	1.2
139.04013	43.5
140.04330	1.3
143.03516	6.8
149.04536	3.3
157.05092	1.2
159.02988	0.9
161.04559	7.2
173.04597	1.0
179.05608	37.5
179.07178	1.8
191.05609	6.0
201.04034	3.8
207.10258	1.2
209.11873	9.2
226.11617	1.0
227.07097	4.9
227.12885	2.3
228.35115	0.8
241.08525	1.1
244.07294	1.9
253.09262	1.4
259.09766	7.7
271.02567	1.4
283.19144	1.0
292.73880	0.8
300.02698	2.9
301.20056	1.0
349.18445	2.5
419.22882	1.0
463.08295	1.9
463.26486	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
59.01376	9.0
60.31430	0.3
61.53258	0.3
61.98824	1.0
69.03433	0.4
69.74946	0.7
69.75365	0.4
71.01381	4.1
73.02943	0.9
80.02663	1.0
81.03455	0.9
83.01379	0.9
83.05028	4.4
84.02145	0.7
85.02960	1.1
89.02443	4.1
93.03470	0.4
94.39547	0.2
95.05032	0.8
97.02971	0.3
98.22625	0.3
99.00851	0.4
101.02442	4.4
108.02241	0.3
113.02436	3.2
119.03520	1.4
125.06081	0.4
131.03490	0.4
135.08124	0.4
139.03998	1.2
143.03552	0.5
151.00394	0.6
161.04559	1.7
163.11296	3.5
165.12871	2.3
179.05617	0.6
181.12389	0.8
191.05583	1.2
191.10744	1.0
209.11818	100.0
210.12157	3.4
227.12875	16.8
228.13101	0.4
235.08165	0.6
243.02847	0.4
253.09283	13.3
254.09578	0.4
255.03029	1.3
271.02441	2.3
271.05359	0.3
300.02701	4.0
301.03448	2.0
305.15942	0.3
321.66415	0.3
349.18674	2.0
463.08832	3.2
463.21948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.4
57.03440	4.5
58.00587	1.0
59.01376	66.9
60.01729	0.5
61.98810	1.1
67.27976	0.4
69.03460	2.0
69.22292	2.0
71.01379	75.3
72.99326	1.1
73.02942	27.1
75.00858	2.0
81.03452	1.0
83.01389	6.8
85.02947	23.2
87.00874	3.1
89.02442	55.4
90.02785	0.7
95.01382	5.1
97.02958	3.6
99.00877	17.3
99.04518	0.5
101.02437	45.2
111.00913	0.4
113.02445	24.4
114.02772	0.5
115.04009	2.3
119.03496	10.9
125.02447	5.2
127.03982	0.6
129.01964	1.3
131.03494	6.6
139.04008	2.7
141.02020	0.4
143.03470	3.9
145.12543	0.4
149.04549	15.1
150.04939	0.4
157.05136	0.4
159.02997	4.1
161.04547	28.0
179.05606	5.2
191.05605	5.1
199.13434	0.7
201.04012	1.2
209.11870	1.7
221.06664	0.6
227.12956	1.5
233.06607	2.5
248.89409	0.4
251.07683	1.2
253.14542	0.6
276.61841	0.5
293.08792	1.6
321.93988	0.4
331.17587	17.7
332.17859	1.0
349.15005	1.2
349.18900	0.7
463.21872	100.0
464.22205	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03451	0.5
59.01377	28.8
59.18306	0.3
60.01707	1.8
65.52803	0.3
69.54530	0.3
70.25233	0.5
71.01376	5.4
71.05010	0.4
73.02956	1.2
80.02666	1.1
81.03453	1.1
83.01384	0.9
83.05032	4.4
84.02166	1.2
85.02935	1.5
87.00871	1.1
89.02444	5.0
93.03436	0.4
95.01404	0.6
95.05013	0.6
99.00852	0.4
101.02446	5.5
107.01395	0.3
111.20247	0.3
112.98505	0.3
113.02452	3.7
119.03466	1.9
125.02440	0.3
125.06075	0.7
131.03543	0.4
135.08147	0.7
139.04037	0.8
161.04477	2.1
163.11292	3.3
165.12849	2.3
179.05608	0.8
191.10825	0.9
199.13434	0.9
209.11819	100.0
210.12152	3.9
227.12880	18.5
228.13167	0.9
235.08116	0.6
253.09271	14.0
255.02975	0.6
271.02502	1.3
300.02707	1.8
301.03458	1.0
336.46362	0.3
349.14758	0.4
349.18631	5.6
391.13702	0.4
463.08560	2.2
463.21225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03440	2.3
59.01377	78.0
60.01723	0.7
61.98830	6.1
69.03456	2.8
71.01381	51.0
71.42099	0.7
71.75340	0.8
72.99284	1.1
73.02940	20.0
74.02481	1.6
75.00879	1.0
83.01392	7.2
85.02945	18.8
87.00870	8.9
89.02441	24.1
93.03458	2.1
95.01374	3.8
97.02941	1.1
99.00880	3.8
101.02441	40.2
105.00169	0.8
111.00908	1.2
113.02444	28.0
114.02759	0.9
119.03486	9.8
122.03733	0.8
123.04485	0.8
125.02461	2.1
129.01936	1.1
131.03505	2.9
135.04520	2.5
136.05275	2.8
137.02440	2.6
137.06078	1.0
138.03215	1.9
139.00418	1.4
139.03999	1.3
141.09268	4.5
141.12778	1.0
143.03477	2.9
143.10756	6.8
149.04590	1.3
149.06013	0.8
150.06831	1.0
155.35225	0.8
159.03009	3.8
161.04555	20.6
169.12343	3.4
170.01872	0.8
173.04532	1.2
179.05562	3.8
187.13416	4.3
187.97513	1.1
191.05499	1.4
209.11894	4.7
213.09218	1.2
241.12360	9.0
244.07382	4.4
253.09303	1.0
255.02937	0.8
259.09750	6.2
259.13074	1.2
259.15567	2.1
271.02487	3.1
271.81763	0.8
300.02762	3.5
301.03394	2.7
301.15762	0.9
306.07248	1.2
349.18652	100.0
350.19128	5.6
401.12387	3.3
403.26785	1.1
463.08801	3.2
463.25510	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
58.27014	0.4
59.01378	14.1
62.80989	0.3
69.03445	1.6
69.31146	2.1
71.01381	7.0
73.02934	0.8
73.09530	0.4
80.02673	1.4
81.03457	0.7
83.01398	0.8
83.05026	4.9
84.02150	1.1
85.02949	1.7
89.02440	10.0
98.00130	0.4
101.02436	6.6
101.16584	0.4
104.33212	0.4
113.02450	10.2
119.03503	4.2
125.06087	0.6
126.05672	0.4
129.40453	0.4
131.03532	0.7
132.70648	0.4
135.08200	1.0
139.04024	0.4
143.03516	1.0
149.04597	0.5
151.00365	0.5
161.04538	2.7
163.11264	3.7
165.12845	2.4
179.05624	4.5
181.12410	0.5
186.56262	0.4
191.05650	0.3
191.10782	1.0
209.11826	100.0
210.12158	3.7
227.12883	17.6
227.79507	0.4
228.13240	0.7
235.08203	0.5
253.09288	15.2
255.02997	0.4
271.02469	1.4
292.38327	0.4
300.02670	1.9
301.03427	1.4
306.20889	0.5
340.06183	0.4
349.18802	1.9
448.08594	0.4
456.88437	0.4
463.08948	2.1
463.21829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30597	0.6
57.03460	0.6
59.01378	100.0
66.24193	0.5
69.39607	2.1
71.01386	5.6
71.84759	0.5
73.02962	1.7
73.34791	0.4
83.01353	0.5
83.05022	6.8
85.02956	1.2
87.00896	0.7
89.02442	6.8
89.31395	0.4
89.32043	0.5
96.96030	0.7
97.62994	0.5
101.02441	3.2
113.02475	2.2
119.03497	3.0
121.02977	1.0
123.08208	1.0
134.54874	0.4
139.03992	0.6
143.03542	0.9
143.65071	0.5
147.77299	0.4
151.07571	0.6
153.05635	0.6
153.09216	0.7
161.04587	3.3
167.10789	3.4
179.05638	5.0
187.11270	0.9
197.04590	1.2
205.12404	1.1
223.13440	2.2
241.14520	1.7
298.16562	0.5
321.99124	0.6
403.19687	5.5
463.14868	1.7
463.22055	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
55.38237	1.1
57.03459	5.3
59.01379	100.0
61.98833	6.7
69.03444	5.7
71.01381	67.6
71.05009	3.6
71.42760	1.1
72.01729	1.1
73.02947	29.6
75.00870	3.9
81.03446	1.9
83.01383	7.4
83.05034	1.2
83.12688	0.9
85.02950	23.5
85.06570	4.8
87.00879	6.2
89.02448	43.2
93.03465	4.4
95.01380	4.8
95.05003	1.5
97.02975	2.2
97.06592	1.6
99.00875	12.3
101.02441	45.6
109.02962	2.2
109.69203	1.1
111.00865	1.6
112.01671	6.7
113.02450	40.1
113.03251	1.9
113.06051	1.0
115.04018	2.3
116.92870	1.4
119.03510	13.0
121.02946	1.9
125.02451	4.2
127.04016	12.9
131.03502	6.3
134.03754	4.6
135.04526	3.9
137.02440	2.8
139.04010	17.3
143.03514	3.8
143.35008	1.0
144.00621	2.2
149.04555	8.0
149.06116	2.3
151.03998	3.4
153.05588	5.7
153.09244	1.0
159.03000	3.4
161.04555	20.6
165.12926	1.0
169.08682	2.5
169.12303	1.4
171.13919	4.4
173.04501	1.7
178.02753	2.1
179.05559	6.0
187.04050	1.0
187.13382	2.2
191.05626	10.1
193.05046	4.1
199.13423	4.5
201.04045	1.7
209.11784	8.5
215.12859	4.7
217.08733	2.0
227.12860	18.0
228.48735	1.2
233.06702	1.8
241.14442	3.4
253.09341	2.5
257.74039	1.1
259.09723	1.7
271.02567	1.6
271.06036	2.8
289.07153	1.7
290.40710	1.1
300.02847	1.3
331.17639	13.4
349.14951	23.4
349.18726	19.5
377.18045	1.6
403.19449	7.0
419.19168	7.3
421.20663	6.6
445.24838	1.3
448.06952	1.2
463.21881	93.7
464.22037	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21082	0.4
55.01873	0.6
57.03443	0.4
59.01376	25.4
60.01714	0.7
61.98821	2.3
65.00336	0.6
65.15695	0.4
68.35918	0.4
69.03448	0.9
69.21479	2.6
71.01381	7.9
73.02947	2.8
80.02680	1.2
81.03456	0.9
83.01396	1.3
83.05025	4.9
84.02177	1.3
85.02953	3.1
87.00875	1.0
89.02445	6.8
92.98154	0.7
93.03465	0.6
95.01349	0.6
95.05024	0.8
97.02942	0.4
97.06575	0.4
99.00885	0.7
101.02439	6.2
107.01389	1.4
108.02171	1.4
109.02962	0.6
109.06631	0.5
113.02454	6.0
119.03516	2.4
121.02949	1.5
136.01672	3.8
136.99146	0.4
139.04012	2.7
143.03496	1.1
148.01678	0.7
151.00372	5.0
151.03993	7.4
159.02980	0.4
161.04561	4.1
163.00336	1.1
163.11295	3.1
165.12839	2.3
178.99854	2.5
179.05583	1.9
181.12373	0.6
191.05547	2.0
191.10818	1.1
197.53421	0.4
198.06868	0.6
209.11823	100.0
210.12082	3.3
211.03867	0.6
216.04405	0.5
225.05519	0.6
226.06268	1.0
227.03484	1.3
227.12874	16.2
228.04114	0.5
228.13242	0.8
241.08670	4.7
243.02921	4.8
253.09285	14.0
254.02219	1.2
254.09505	0.5
255.02997	10.5
256.03418	0.8
271.02472	22.4
271.05722	1.4
272.02866	1.5
273.03989	0.5
283.02524	0.7
299.01770	0.6
300.02740	42.5
301.03491	23.5
302.03757	1.1
305.16013	2.1
349.15002	0.5
349.18802	3.3
351.45435	0.4
386.60532	0.4
391.90060	0.4
411.69626	0.4
463.08783	30.0
463.21399	2.5
464.09000	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	463.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.7
59.01382	56.3
59.14462	2.9
61.98836	25.2
69.03442	3.3
71.01382	24.1
71.18155	5.8
71.51092	3.1
73.02937	12.0
83.01378	3.7
85.02943	22.1
85.65395	3.3
87.71387	3.2
89.02425	11.1
92.77051	3.1
93.03465	9.0
97.02896	3.6
99.00852	5.9
101.02427	14.5
108.02203	5.1
111.04502	7.1
113.02474	13.0
115.08863	3.1
121.02972	3.6
127.04002	4.0
133.02960	6.9
135.04517	9.9
136.00533	3.5
136.01590	5.8
137.02425	5.1
149.02403	7.1
149.06123	5.7
151.03995	12.7
153.05605	4.5
161.02452	14.4
161.04494	6.2
164.04782	5.8
173.04538	9.6
173.06073	12.5
179.03409	4.3
190.02766	4.7
191.05589	19.4
205.04959	4.9
215.46712	3.1
223.06082	6.6
241.08624	11.7
245.08188	14.9
259.09653	7.2
283.09735	8.3
291.43265	3.3
331.17484	5.2
403.14017	7.7
403.18771	3.4
419.22879	4.1
463.16129	100.0
463.21597	11.3
463.25967	12.8
464.15753	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	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76401	1.1
59.01362	4.7
59.27606	1.3
61.98826	2.7
66.55395	1.3
69.10206	8.0
70.78927	1.5
78.95896	8.6
84.27962	1.6
110.98511	7.6
112.50893	1.4
167.01125	1.8
170.67488	1.4
171.10257	32.7
185.02200	5.8
194.98842	2.1
204.10307	1.3
217.00316	4.8
222.15967	1.3
249.51018	1.2
277.21719	34.4
278.22046	2.0
289.91928	1.4
293.21213	1.6
295.22772	100.0
296.23126	7.0
463.18573	2.5
463.24710	33.7
464.25073	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	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.7
59.41606	0.9
61.98824	2.9
70.25859	1.0
71.39346	1.2
78.95906	6.8
85.81034	1.0
86.63526	1.2
110.98505	5.5
113.09746	1.4
121.29671	1.2
167.01154	3.1
185.02182	5.1
195.13872	17.8
217.00311	5.7
271.02493	2.1
277.21725	16.4
295.22769	100.0
296.23074	6.9
300.02719	3.6
301.03635	1.5
340.08002	1.1
463.08859	2.2
463.24579	22.6
464.24908	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	463.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69147	0.7
55.52672	0.6
57.03433	1.2
59.01370	11.0
61.98822	8.8
71.01381	10.8
72.99305	1.0
77.61404	0.6
83.01353	0.8
85.02960	3.1
87.00864	2.0
89.02442	2.0
101.01890	0.6
101.02425	4.0
105.71725	0.7
113.02455	2.5
124.01590	0.8
125.02389	0.9
146.06259	0.7
166.46379	0.6
182.74724	0.7
196.05579	0.6
221.19086	11.3
232.96733	0.6
239.20158	2.0
257.21216	1.3
265.18045	7.9
283.19141	11.6
300.02649	0.9
301.20230	13.7
302.20654	0.8
325.20364	0.8
427.23312	0.9
445.24237	3.7
450.19730	0.6
463.25446	100.0
464.25668	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	463.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14085	0.7
69.36855	3.9
71.88390	0.7
74.35882	0.8
78.95905	3.1
86.45253	0.8
98.22613	1.7
102.89877	0.7
106.14105	0.7
110.98512	2.6
152.99602	2.4
167.01003	0.9
185.02293	3.7
201.70114	0.7
281.24802	9.3
295.26404	100.0
296.26733	5.0
321.93787	0.9
329.40158	0.8
463.28223	12.9
463.34015	1.2
485.00095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19541	0.5
69.51730	0.5
70.92474	1.0
71.39758	0.5
75.49039	0.5
78.95898	7.6
80.88329	0.4
85.98421	0.5
101.68359	0.5
118.57212	0.5
125.00111	2.5
127.23776	0.4
130.64049	0.5
131.51443	0.5
139.16029	0.5
152.99576	1.0
181.02675	1.2
199.03725	3.4
251.20724	0.5
281.24850	100.0
282.25159	4.7
357.97433	0.5
384.96219	0.6
385.09143	0.6
463.28293	9.2
482.41992	0.5
486.12192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98503	3.4
61.98829	69.7
71.01383	12.8
73.02962	9.4
76.03645	1.4
78.95899	4.3
83.01379	3.5
85.02950	6.2
85.73743	1.5
88.54699	1.5
89.02455	7.0
91.04010	13.9
93.03487	1.7
95.01384	3.0
99.08195	1.8
101.02431	11.2
103.70541	1.6
112.35655	1.5
113.02444	17.4
119.03432	2.7
121.02938	10.8
127.03974	1.7
139.11287	4.5
148.86749	1.4
150.06873	2.1
152.13081	1.4
152.99582	4.5
157.12230	1.6
161.04431	2.5
171.10283	12.4
178.82663	1.6
179.05574	1.7
211.13417	8.6
215.20882	1.5
227.89330	1.5
229.14336	7.6
241.12321	5.9
266.00095	1.5
286.12042	12.4
301.14417	25.8
311.22250	11.4
329.23334	73.2
330.23621	5.1
463.21500	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	463.3064
Annotation	Taxisterone
Peak:m/z	Relative Intensity
61.98836	6.3
69.16874	7.6
74.33276	1.3
75.83184	1.3
105.03437	2.4
106.04240	13.6
107.05046	14.5
109.02920	6.0
113.16521	1.3
121.02966	4.1
137.08730	1.4
150.03230	7.6
151.04070	7.0
160.05275	4.2
161.06047	6.3
163.04007	3.7
185.72137	1.2
197.87471	1.3
205.05099	3.3
250.50679	1.3
300.02744	2.6
378.28470	1.3
391.28510	44.3
392.28696	4.0
445.29514	30.4
446.29749	2.5
463.08572	2.3
463.30630	100.0
464.30814	9.4
471.85352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81640	0.6
51.92954	0.6
59.01374	5.8
61.93718	0.6
61.98830	100.0
63.62826	0.6
64.08506	0.6
69.31851	2.6
71.01374	1.2
73.02959	0.8
85.02939	1.2
98.22644	1.3
101.02480	0.9
101.99731	0.6
113.02521	1.0
121.74007	0.7
127.89347	0.7
131.79469	0.6
134.37444	0.6
136.97011	0.7
151.04059	0.7
161.02498	1.5
191.05673	1.0
257.11804	1.2
273.07693	1.3
303.12473	3.0
446.18335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37308	2.9
61.98819	7.4
69.24652	7.5
69.25050	11.8
78.95930	8.9
98.22632	5.8
113.02445	16.7
119.97379	2.7
152.99585	22.3
158.71411	3.1
162.83992	3.7
182.59692	3.7
256.09879	3.9
300.12405	4.2
314.13940	4.6
370.16263	4.4
414.15619	100.0
415.15802	7.1
465.22711	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	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30910	0.3
55.01877	0.3
59.01378	20.7
60.01708	0.5
61.98828	100.0
69.64525	1.1
71.01380	3.4
73.02944	2.5
75.00845	0.4
83.01366	0.8
83.21170	0.3
84.34442	0.3
85.02971	1.2
87.00896	0.4
89.02454	1.2
93.03448	0.4
101.02441	3.2
113.02490	1.8
123.54720	0.3
141.76834	0.4
161.04544	1.7
179.05638	0.5
191.05588	0.9
315.18204	1.5
376.10944	0.4
464.17596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09592	0.2
55.01870	0.4
59.01377	6.5
61.98827	100.0
69.35907	0.3
69.36295	0.5
71.01395	0.3
73.02924	0.2
85.02962	0.2
87.00890	0.2
89.02485	0.2
90.12791	0.2
96.86737	0.2
96.96030	0.4
97.02948	0.5
101.02430	0.2
107.05033	0.2
109.06622	0.3
113.02438	0.2
127.00370	1.4
138.03288	0.2
151.04025	0.3
152.04420	0.2
153.05569	1.3
154.05943	0.5
191.05701	0.3
259.09943	0.3
260.10233	0.4
264.52689	0.2
356.18674	0.4
388.21219	1.5
400.17651	1.8
401.23907	0.3
404.20825	0.3
464.17279	0.2
464.23611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03446	2.0
59.01378	32.5
60.01720	1.3
61.98828	7.5
69.03419	1.7
71.01379	32.7
73.02948	8.9
83.01378	5.1
85.02962	11.1
87.00873	2.0
89.02441	22.6
89.02947	2.3
95.01389	2.4
97.02943	1.5
99.00897	2.2
99.70755	1.2
101.02441	21.0
111.00903	2.6
113.02456	9.2
115.03988	1.5
125.02443	2.8
131.03493	11.6
143.03481	1.5
149.04549	3.9
161.04527	7.1
191.05565	3.5
209.45323	1.2
233.06815	2.8
262.04089	1.3
289.16516	18.8
293.08859	2.1
421.20779	100.0
422.21170	4.9
464.25552	1.8
465.26721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53479	0.3
59.01379	100.0
60.01706	0.7
61.98830	7.5
69.24568	1.2
71.01381	0.8
73.02967	0.5
76.36700	0.3
85.02941	0.3
96.96026	0.5
97.02979	1.0
99.04555	0.4
101.02483	0.4
110.43077	0.3
111.04518	1.5
125.93821	0.2
137.06090	0.6
151.07684	0.4
191.05673	0.4
200.00070	0.3
243.06757	0.4
302.15448	0.4
320.94507	0.3
342.21014	0.5
355.01706	0.3
386.19571	1.3
404.20737	10.4
405.21262	0.7
464.22916	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	464.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69618	0.5
59.01388	1.0
59.18342	0.4
61.98830	100.0
71.04038	0.5
73.50488	0.4
78.95898	6.1
81.85871	0.5
96.96944	0.6
114.08032	0.5
152.99594	5.0
171.00713	1.9
198.59766	0.5
432.53510	0.5
465.22787	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	464.278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.6
64.89279	0.3
78.95901	5.3
95.57621	0.4
140.01216	2.0
152.99515	0.7
196.03799	0.8
205.43315	0.4
214.04829	2.5
224.12679	0.4
267.23276	100.0
268.23639	4.0
316.71613	0.6
464.27753	13.2
464.34354	0.7
465.27872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
61.01811	0.8
61.98827	100.0
64.45979	0.6
65.32590	0.5
69.37364	3.0
80.54019	0.6
92.10615	0.5
99.64229	0.6
100.11597	0.5
102.09883	0.6
124.93135	0.5
256.28299	0.6
297.24454	1.1
432.61240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24451	0.9
59.01367	2.8
61.98828	100.0
69.05287	0.9
69.39584	2.0
69.39971	1.9
78.49420	0.8
98.22086	3.8
109.99780	1.0
117.28349	0.8
181.87968	0.8
184.03795	0.8
267.41721	1.0
293.28574	1.1
297.24277	1.9
320.90009	0.8
355.28638	1.7
429.32242	2.4
485.57196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96482	1.3
57.01401	1.0
59.10316	1.0
61.98827	100.0
70.80621	1.2
73.65269	1.2
78.95897	3.1
82.05558	1.1
89.65229	1.2
187.77530	1.3
226.03281	1.3
229.51210	1.3
246.27280	1.4
266.72092	1.5
281.24933	10.3
282.25192	39.0
292.84824	1.5
319.65512	1.3
432.85242	1.2
464.28488	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	465.1398
Annotation	Symplocoside
Peak:m/z	Relative Intensity
55.33023	0.2
57.03432	0.8
59.01382	1.4
61.98838	1.6
69.03458	1.5
71.01376	0.5
71.43250	0.3
74.50717	0.2
74.96194	0.2
80.02691	0.4
81.03457	1.7
83.01387	2.9
85.02956	0.6
89.02389	0.3
93.03471	1.2
95.01391	0.6
95.05023	3.5
97.02950	16.8
99.04473	0.2
99.68407	0.2
101.02420	0.3
107.05045	0.3
108.02201	2.1
109.02938	1.9
111.00906	0.2
111.04526	0.7
116.92884	0.5
121.02948	2.9
121.03767	0.4
122.03748	8.6
123.00841	0.3
123.04538	3.1
124.01643	0.7
125.02446	12.2
126.02834	0.3
127.04016	0.3
130.08627	0.2
133.02914	0.3
134.03728	0.3
135.04514	1.1
137.02441	23.7
138.03244	2.8
139.04021	3.6
145.02939	0.3
145.95346	0.2
148.01666	1.8
149.02449	2.1
150.03261	1.2
151.03976	1.1
153.05600	1.8
159.04492	0.8
160.05292	0.8
161.02435	7.4
161.03708	0.5
162.03195	1.7
163.04010	3.5
164.01147	1.3
164.04709	0.3
165.01933	6.7
165.05537	1.2
166.02724	2.1
167.03511	1.2
173.06003	0.5
174.06839	0.3
175.03989	0.4
176.04770	0.8
177.01915	0.5
177.05482	1.2
179.03532	1.9
179.07030	0.3
181.05031	0.5
185.06107	0.4
187.03899	0.3
189.01941	1.0
190.02753	0.5
191.03508	0.6
191.05608	2.6
192.05896	0.3
200.04689	0.3
201.05560	2.3
202.06326	2.6
203.03471	0.7
204.04259	3.6
212.73358	0.2
215.07079	0.6
217.08679	3.4
219.06602	5.1
220.07401	8.5
228.71033	0.2
229.05081	1.0
235.09753	4.0
241.05196	0.3
242.05902	0.3
243.06639	0.6
244.07378	8.0
245.07718	0.4
246.05334	0.5
259.09702	3.2
261.07596	1.5
270.05295	0.9
285.07657	2.5
287.07828	0.5
288.06372	0.9
289.06766	0.3
299.07870	0.4
303.08719	100.0
304.09048	5.0
317.10046	0.3
327.08728	8.7
327.12680	0.5
328.08975	0.4
345.09726	0.9
351.12952	0.4
357.09875	0.9
369.09747	0.5
391.14349	0.3
465.14078	5.9
466.14392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1396
Annotation	Symplocoside
Peak:m/z	Relative Intensity
55.32998	0.4
57.03434	1.5
59.01358	1.2
61.42545	0.4
64.90169	0.4
69.03439	1.0
80.02660	0.4
81.03446	2.0
83.01385	2.8
85.02950	1.2
90.68530	0.4
93.03434	1.5
95.01371	1.0
95.05019	3.9
97.02945	19.4
108.02155	1.8
109.02948	2.7
111.04482	0.8
112.54077	0.4
113.02454	0.8
121.02930	3.9
122.03736	9.7
123.00835	0.7
123.04517	4.4
124.01656	0.7
125.02442	16.0
133.02921	0.4
134.03725	0.4
135.04485	1.1
137.02440	26.8
137.06084	0.5
138.03265	3.0
139.04019	4.9
145.02921	0.5
148.01633	2.1
149.02399	2.8
150.03201	1.1
151.00334	1.3
151.03987	1.6
153.01917	1.2
153.05577	1.2
154.02693	0.4
161.02428	8.9
162.03181	1.7
163.04024	3.7
164.01135	1.2
165.01927	7.3
165.05563	1.3
166.02682	3.1
167.03496	0.5
173.04617	0.5
173.06055	0.6
175.03961	1.2
176.04729	0.5
177.01926	1.7
177.05533	0.7
178.99870	0.8
179.03470	2.6
181.05063	0.9
183.01082	0.4
189.01926	1.4
191.03531	1.1
191.05585	8.1
191.07283	0.5
192.05984	0.7
192.99713	2.0
193.54428	0.3
201.05602	2.8
202.06316	3.7
203.03491	0.6
204.04268	4.9
217.08675	3.6
219.06607	4.7
220.07388	9.8
221.07985	0.4
229.05061	0.7
235.09715	5.1
241.05011	0.8
243.06494	0.8
244.07391	7.5
246.05276	0.9
259.09686	4.0
259.99921	0.4
261.07645	1.6
270.05322	1.5
275.05566	0.7
285.01208	0.5
285.04037	2.7
285.07635	2.2
288.06265	1.2
289.07126	0.7
299.07935	0.7
303.08701	100.0
304.09027	4.0
327.08679	10.0
328.09457	0.4
341.05338	0.5
345.09781	0.9
357.09772	0.7
385.06018	1.6
465.01862	0.9
465.14069	7.6
465.19977	0.5
466.14273	0.5
494.64572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1703
Annotation	Lippsidoquinone
Peak:m/z	Relative Intensity
55.01854	2.2
56.11160	1.1
61.98820	2.1
69.91940	2.4
77.22655	1.0
78.95889	3.5
98.21908	1.5
111.00853	1.4
115.05508	1.3
123.69707	0.9
125.02398	1.2
127.05464	1.1
137.02419	2.1
139.00272	1.7
141.01921	3.1
143.05042	1.3
148.05258	2.1
163.64046	1.0
165.01826	2.3
174.06749	1.0
179.03467	1.6
181.10146	1.7
197.00363	1.7
197.06027	1.5
199.07657	1.2
209.05983	1.1
211.07671	5.6
225.09192	5.2
226.06281	5.5
227.07028	3.7
227.10667	2.8
237.09111	3.7
239.07063	2.8
241.05093	1.5
255.06633	6.2
257.11731	1.6
259.11111	1.1
261.09152	1.9
262.09888	1.5
263.07037	1.2
265.12189	3.1
269.11749	3.8
271.06107	1.4
281.11591	1.7
283.05908	2.6
284.06696	2.2
287.10800	1.5
289.08582	2.6
290.09393	2.2
293.11649	3.0
297.24347	5.5
301.12183	2.5
303.10071	4.2
315.10394	1.1
317.08197	1.5
317.11731	1.9
318.12372	1.3
329.11578	1.3
331.09634	3.5
332.10251	1.4
345.11133	2.0
346.12085	2.4
353.15488	2.3
360.09903	3.3
365.14371	1.3
381.14774	2.8
392.15036	2.0
393.18518	1.5
405.13394	1.9
409.18140	6.8
417.13135	2.1
420.15610	3.3
435.13342	2.6
435.18018	6.4
437.17615	17.2
438.17548	1.4
447.16119	1.5
450.17068	5.8
465.17136	100.0
465.50467	1.2
466.17477	9.1
485.69370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1917
Annotation	Staurosporine
Peak:m/z	Relative Intensity
54.08898	1.2
61.98797	3.0
66.50553	1.5
69.03412	1.7
69.88490	3.6
69.88831	1.5
78.91882	5.5
78.95934	1.5
84.00909	1.5
84.52847	1.6
87.05618	1.3
95.01363	2.7
96.96019	2.2
99.00883	2.8
107.65338	1.5
109.02956	2.0
111.00900	8.1
111.04568	1.3
121.02957	5.5
123.00901	2.6
124.01698	4.1
125.02477	6.7
136.01756	2.4
137.02487	6.9
137.06107	2.9
138.03215	1.6
139.00403	8.3
140.01164	6.5
141.01936	24.6
148.05389	6.8
149.02490	2.4
149.72362	1.5
151.04008	2.0
152.99585	3.3
165.01955	8.5
177.01953	2.4
179.03513	9.8
180.04332	4.0
186.43840	1.4
192.04337	2.2
195.06706	2.9
207.06686	3.3
225.05434	1.9
225.09261	1.6
227.07268	1.7
239.07298	1.7
240.07848	1.7
256.07352	3.1
257.11877	9.8
269.11871	24.8
270.05228	2.6
281.11795	4.7
283.13422	3.5
284.06851	12.3
309.11285	5.3
311.12820	2.7
333.15225	1.7
361.14603	2.7
403.54773	1.7
405.13385	14.5
407.15073	4.1
417.13315	5.0
420.15955	11.4
421.16000	2.5
429.61539	1.7
435.14017	15.4
435.18256	25.7
436.18887	2.2
444.71991	1.5
447.18002	3.4
450.16895	26.6
465.19205	100.0
466.19556	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	465.1915
Annotation	Staurosporine
Peak:m/z	Relative Intensity
53.70895	2.2
59.01368	3.3
61.98828	8.0
69.53170	9.0
86.41659	2.1
89.43567	2.0
93.03442	4.3
96.95958	2.6
99.75480	2.2
108.02171	2.3
109.02915	5.1
119.26358	2.5
121.02948	8.7
123.00865	4.5
123.04478	3.4
127.86985	2.3
137.02434	35.2
138.03223	34.3
148.41016	2.2
149.06090	4.7
150.06819	4.1
151.04012	8.8
152.04791	8.2
153.05582	42.2
161.02440	14.0
165.01920	5.3
165.09184	6.3
175.03998	19.2
176.04741	27.6
178.02701	2.2
179.03526	4.1
180.04112	3.3
181.52570	2.3
184.03651	2.2
191.07143	11.4
195.06488	2.3
239.10776	3.4
269.11844	3.2
271.13571	2.9
282.09000	54.4
283.09509	5.5
296.10495	4.2
297.11276	32.8
298.11566	4.2
314.48477	2.3
385.12149	3.7
418.14105	18.2
433.16455	6.6
465.19183	100.0
466.19449	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	3.6
59.01386	1.7
61.98830	39.3
70.02978	13.2
70.62072	1.4
71.05026	15.6
78.95908	100.0
87.05630	7.2
96.96020	2.4
96.96983	7.1
99.04521	6.9
115.05148	1.6
116.07175	3.1
123.96231	1.4
129.05586	1.6
130.03323	9.2
133.02927	2.6
135.04546	2.0
146.08238	85.7
147.05984	3.6
152.98347	2.3
152.99585	39.4
154.90695	1.5
161.09711	4.4
171.00642	32.6
205.08685	6.3
212.64243	1.4
217.11942	17.0
263.23453	1.7
264.10617	7.4
277.12277	69.6
278.12692	3.4
321.20670	1.5
337.72433	1.5
356.99680	1.9
410.96054	1.7
465.21652	64.6
466.22092	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	465.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42627	0.5
59.01369	4.5
60.22591	0.5
61.98836	5.1
69.28164	2.8
78.95902	100.0
80.10194	0.6
91.62341	0.6
96.96009	0.7
96.96951	6.8
123.27810	0.5
150.98003	1.6
152.99585	70.6
153.99918	1.0
161.02376	0.6
171.00638	5.7
293.21286	0.7
356.99728	0.6
465.22552	58.6
466.22916	3.7
476.20370	0.7
489.48953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2273
Annotation	Isofissistin
Peak:m/z	Relative Intensity
53.83441	0.6
59.01387	0.9
61.98820	1.4
66.68903	0.6
67.61211	0.5
71.01385	3.7
97.02946	15.6
98.21884	1.6
157.06583	1.3
172.05363	0.9
173.06085	0.6
185.06090	6.4
186.06836	2.1
187.07559	1.3
188.04832	0.7
199.03938	0.7
199.07649	1.0
200.04773	1.8
201.05652	0.5
212.04726	1.0
213.05562	37.7
213.09154	3.0
214.06155	2.2
214.10037	1.3
215.07167	0.8
215.10750	0.7
222.59491	0.6
226.06375	1.0
227.07104	2.9
227.10649	1.2
228.07924	14.3
229.08736	3.1
241.08690	7.0
242.09448	3.8
271.13367	0.6
285.11005	0.8
323.12820	0.9
336.13889	0.8
337.14548	1.1
351.12076	1.1
351.15921	1.2
364.13101	9.2
365.13586	1.8
365.17676	1.7
380.16208	2.2
389.17526	1.1
392.16434	1.2
393.17038	36.9
394.17352	2.3
417.17380	0.8
421.20465	0.9
436.18930	6.9
465.22778	100.0
466.23093	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	465.2277
Annotation	Isofissistin
Peak:m/z	Relative Intensity
59.01375	1.3
61.98807	1.2
62.96368	0.9
69.03448	1.0
69.09547	1.4
69.09958	3.5
71.01379	5.3
81.30080	0.8
81.90714	0.7
94.69553	0.8
95.31157	0.7
97.02948	14.5
98.22702	1.5
122.83064	0.8
151.07639	1.4
157.06636	0.9
158.03786	0.8
173.06073	0.7
174.03276	1.0
185.06097	7.8
186.06839	1.3
187.07666	1.7
197.00369	1.3
198.51003	0.7
199.07587	1.9
200.04871	1.1
200.08505	1.1
201.09248	1.0
209.06093	1.0
211.03984	0.8
212.04802	0.9
213.05566	41.2
213.09167	3.3
214.06009	2.5
214.10020	1.0
215.07205	1.6
226.06436	1.7
227.07109	2.6
228.07935	15.1
229.08684	3.1
241.08742	7.3
242.09460	5.4
255.10414	0.9
257.11963	1.0
269.11926	1.0
271.02487	0.9
271.09781	1.2
271.13138	1.4
285.11279	1.8
307.08636	1.5
336.13574	1.7
337.14655	1.1
339.12180	1.0
339.15997	0.9
349.14371	1.6
351.12399	1.1
351.16125	1.5
353.13541	1.0
358.99484	1.0
364.13120	10.7
365.13651	2.1
365.17529	2.7
375.15619	0.9
377.13828	1.0
377.68750	0.8
379.15363	0.9
380.16180	2.2
389.17841	1.3
392.16260	2.1
393.17065	40.9
394.17377	3.0
405.16370	1.1
407.18750	1.7
408.19098	1.1
409.20297	1.1
417.16629	0.9
421.20258	1.7
435.22089	1.0
436.18768	5.5
465.22784	100.0
466.23129	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01377	100.0
61.98823	4.2
69.64285	1.7
69.64603	4.4
71.01376	30.0
73.02934	2.6
76.22234	1.6
83.01383	2.0
85.02947	7.0
86.97411	1.8
89.02444	35.5
95.01357	2.0
98.22659	2.0
99.04530	2.2
101.02417	17.8
113.02431	16.0
116.92823	2.1
119.03507	21.6
142.44025	2.0
143.03474	2.9
149.09694	6.2
161.04591	8.5
167.10753	10.6
179.05594	10.1
180.37929	1.5
182.40970	1.9
191.05556	2.9
207.12083	1.7
207.13925	5.5
225.14958	5.0
243.15981	4.6
273.07639	2.3
387.20169	5.3
405.21255	84.9
406.21573	5.0
408.45428	1.9
457.12567	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03440	5.3
59.01375	100.0
60.01714	0.8
61.98821	6.0
63.50806	0.5
69.03453	1.2
71.01378	20.0
72.88196	0.6
73.02952	2.2
74.22916	0.6
76.21706	0.6
80.96493	0.7
81.03484	1.0
83.01395	2.2
83.05027	1.8
85.02941	9.3
87.00877	2.5
87.04533	0.7
87.05639	0.7
89.02440	24.0
93.03460	3.0
95.01418	1.4
95.05042	1.6
96.96019	1.6
97.02934	4.6
101.02431	11.3
105.03500	0.8
108.02193	1.3
109.02957	2.7
111.04526	1.2
112.05314	1.1
113.02444	9.5
115.04008	1.4
116.92910	0.9
119.03497	11.5
121.03026	1.0
122.03753	3.3
123.04501	3.5
125.02437	12.5
126.02807	0.7
127.04036	1.7
129.01982	0.8
131.03558	1.5
133.02968	6.5
133.03896	1.0
134.04716	1.6
134.07413	1.6
135.04530	0.8
135.08168	0.8
137.02425	8.0
137.09749	0.8
138.03210	0.7
139.04086	2.1
139.07652	1.1
143.02557	0.7
143.03453	3.4
149.02464	1.6
149.04552	1.4
149.09720	13.6
151.00385	2.2
151.04015	1.4
152.01105	0.8
153.01926	1.9
153.09184	4.5
160.01697	2.0
161.02478	4.4
161.04526	6.5
161.05670	0.8
163.00381	0.9
163.03961	0.8
164.01228	1.0
165.00151	3.1
165.01950	2.3
167.03526	3.5
167.10759	25.5
168.11171	1.1
173.04575	1.4
173.06094	1.0
174.03343	0.6
175.04025	1.7
177.01917	3.0
178.99913	0.7
179.05585	11.9
185.06241	1.3
191.05594	43.5
192.05954	3.5
192.99637	13.7
193.05040	1.0
199.04053	1.3
201.05673	1.7
202.06297	0.7
202.10973	3.4
203.50252	0.7
208.99211	3.0
209.11848	1.3
217.05109	0.9
217.08676	1.2
219.06544	0.8
220.07384	1.7
225.14983	5.5
229.05103	2.2
235.09958	0.8
243.02965	0.8
243.16098	3.7
244.07298	1.5
245.08621	0.7
259.09744	1.3
273.04263	1.1
285.04089	7.0
285.07196	1.1
285.13507	2.9
289.07166	1.5
299.05676	0.9
303.05173	5.2
303.08633	25.4
303.14252	8.0
304.09149	1.0
304.15143	0.8
327.08713	1.3
345.15536	1.4
351.13052	2.9
357.02521	0.6
375.07098	0.7
383.04556	1.5
385.06311	1.2
405.21317	26.4
406.21921	1.7
424.60141	0.7
434.93207	0.7
447.18716	0.7
464.60822	1.7
465.01553	6.3
465.10898	1.1
465.19495	1.1
465.29147	1.1
466.20990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98825	5.1
62.11411	1.8
71.01012	2.6
71.01380	30.2
71.41138	1.8
73.02937	4.1
82.95397	3.0
83.01376	2.8
85.02946	8.4
87.00865	4.1
89.02439	39.2
95.01393	2.1
96.96013	10.6
97.02949	3.0
101.02440	28.4
111.00940	2.2
113.02447	18.1
115.03997	1.7
119.03500	22.2
122.53538	1.8
131.03503	4.1
143.03442	3.4
149.48654	2.0
159.02936	2.8
161.04564	12.9
167.03471	2.0
173.04541	8.1
174.99475	2.1
179.05569	12.5
191.05640	5.0
225.14967	1.9
273.07794	3.1
387.20316	1.8
405.16257	3.5
405.21317	60.1
406.21655	4.1
469.89691	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	465.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03424	1.8
59.01376	18.9
59.61278	0.4
61.98827	3.9
62.37256	0.5
69.03449	0.6
69.56280	1.0
69.56676	0.9
71.01376	12.8
71.04996	0.5
73.02599	0.6
73.02945	5.6
75.00834	0.7
83.01384	3.3
83.05011	0.5
85.02949	7.8
86.00101	0.9
87.00876	0.8
89.02441	4.4
95.01366	1.6
96.96004	0.6
97.02921	0.7
98.56285	0.5
99.00867	1.8
99.08151	0.7
101.02440	13.8
111.00845	0.9
113.02454	5.8
113.09699	1.2
119.03480	1.0
120.99620	0.6
124.62482	0.5
125.02394	0.9
127.03992	0.9
130.08760	1.0
137.02484	0.6
143.10728	2.3
144.04570	0.8
146.06105	15.4
159.03001	0.8
161.02425	0.6
161.04533	1.4
190.05063	3.3
191.05598	3.2
209.11777	0.6
210.12154	0.5
265.14484	5.5
273.03189	0.5
285.20737	5.3
303.08731	1.2
303.21738	5.9
352.10355	3.0
427.29425	1.0
447.19672	1.0
447.25894	9.2
465.27005	100.0
466.21155	0.9
466.27255	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	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03445	0.7
59.01379	53.3
60.01717	0.5
61.98833	2.0
68.28025	0.3
69.03468	0.4
71.01378	11.8
73.02940	6.0
83.01393	2.9
85.02950	7.7
86.00093	0.5
87.00880	0.7
89.02452	1.3
93.03488	0.6
95.01397	1.3
97.02965	0.5
99.00867	1.9
99.08171	0.4
101.02442	11.4
104.11703	0.4
111.00903	0.7
113.02456	5.7
113.03149	0.6
119.03519	0.7
119.08218	0.4
137.06099	0.4
143.03539	0.6
145.68442	0.4
146.06122	0.9
159.02991	0.8
161.04507	2.3
189.07152	0.4
191.05608	1.4
223.17197	0.4
225.27548	0.4
225.80907	0.4
237.85432	0.4
285.20499	0.5
301.20013	0.4
303.21851	1.9
342.78558	0.4
405.24933	2.2
447.25909	3.8
448.26511	0.5
465.27023	100.0
466.21191	0.7
466.27313	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	465.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14963	0.4
54.52085	0.5
55.01867	1.9
57.03450	2.3
58.00588	0.8
59.01380	20.0
61.98828	3.9
69.56923	1.8
71.01380	15.2
71.05028	0.5
71.32978	0.5
73.02940	6.0
78.41304	0.5
83.01383	3.7
85.02955	8.5
86.00103	1.1
87.00872	1.1
89.02451	3.0
93.03449	0.7
95.01402	1.2
97.02920	0.7
98.22586	1.0
99.00877	1.5
99.08146	0.6
101.02441	13.8
111.00876	0.6
112.01688	0.6
113.02440	6.3
113.09695	1.1
118.45695	0.5
118.97943	0.5
119.03483	1.3
123.08191	0.6
123.38853	0.4
125.02458	0.7
127.04005	0.8
129.09267	1.0
130.08745	0.9
143.10780	1.7
144.04590	0.6
146.06126	11.6
159.02983	0.8
161.04559	1.7
165.05580	0.8
190.05096	2.2
191.05595	2.7
229.59927	0.6
237.18602	0.5
239.20079	0.7
251.36142	0.5
265.14352	6.1
285.20676	6.9
286.20871	0.6
303.21841	5.7
321.97766	0.5
352.10382	3.0
427.29141	1.2
447.25906	9.3
465.27020	100.0
466.27261	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	465.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14963	0.4
54.52085	0.5
55.01867	1.9
57.03450	2.3
58.00588	0.8
59.01380	20.0
61.98828	3.9
69.56923	1.8
71.01380	15.2
71.05028	0.5
71.32978	0.5
73.02940	6.0
78.41304	0.5
83.01383	3.7
85.02955	8.5
86.00103	1.1
87.00872	1.1
89.02451	3.0
93.03449	0.7
95.01402	1.2
97.02920	0.7
98.22586	1.0
99.00877	1.5
99.08146	0.6
101.02441	13.8
111.00876	0.6
112.01688	0.6
113.02440	6.3
113.09695	1.1
118.45695	0.5
118.97943	0.5
119.03483	1.3
123.08191	0.6
123.38853	0.4
125.02458	0.7
127.04005	0.8
129.09267	1.0
130.08745	0.9
143.10780	1.7
144.04590	0.6
146.06126	11.6
159.02983	0.8
161.04559	1.7
165.05580	0.8
190.05096	2.2
191.05595	2.7
229.59927	0.6
237.18602	0.5
239.20079	0.7
251.36142	0.5
265.14352	6.1
285.20676	6.9
286.20871	0.6
303.21841	5.7
321.97766	0.5
352.10382	3.0
427.29141	1.2
447.25906	9.3
465.27020	100.0
466.27261	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	465.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06964	87.5
82.77201	100.0
84.18669	76.7
121.76304	88.9
125.46147	79.2
162.84512	77.4
388.46356	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80568	73.7
51.45082	73.8
83.80350	80.7
206.72353	80.0
237.66328	75.7
249.58511	87.0
303.48239	97.3
326.82498	77.7
388.39502	85.3
465.08273	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	466.135
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	1.3
105.59653	0.5
113.02427	0.8
131.03725	0.6
144.04536	4.5
146.06110	100.0
147.06491	2.9
155.29831	0.5
161.04573	1.3
190.05087	20.4
191.05370	0.6
223.74107	0.5
229.02896	0.5
308.11371	2.2
352.10321	18.6
353.10724	0.9
489.44754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71040	0.2
69.06043	1.9
71.01375	0.8
83.15852	0.3
85.02928	0.3
98.21813	0.6
101.02425	0.3
113.02441	0.7
131.03740	1.2
144.04552	4.9
146.06113	100.0
147.06448	2.7
161.04573	0.8
190.05092	18.8
191.05502	0.6
231.79469	0.3
254.56721	0.3
271.25577	0.3
305.99921	0.3
307.00125	0.3
308.11371	1.7
352.10345	17.5
353.10632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57438	1.7
59.01379	9.8
61.98824	23.4
62.15274	1.7
69.28139	8.6
69.42661	2.0
71.01391	3.8
73.02944	2.5
78.95924	1.9
84.01859	1.8
85.02946	2.7
89.02451	2.8
93.03452	2.5
113.02435	6.2
117.51625	1.9
121.02937	2.2
129.55788	1.8
133.02953	10.4
137.02454	2.6
149.02435	3.7
150.03069	2.3
152.99640	2.3
159.92657	2.0
161.02458	31.6
162.02815	6.6
162.83896	1.9
163.68596	1.7
164.46954	2.0
165.05516	2.3
168.15460	1.9
173.04553	7.5
173.62572	2.0
174.56680	1.8
190.02724	2.8
205.05078	3.0
223.06053	3.4
328.38373	2.0
380.94553	1.9
416.17142	100.0
417.17499	6.9
437.21671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21238	2.5
54.29930	2.7
56.68182	3.1
61.98830	100.0
69.22428	12.5
69.22833	5.3
75.75742	2.3
77.05842	2.4
99.23354	2.6
108.22938	3.1
113.02412	3.4
127.32323	2.9
140.04683	2.7
160.66058	3.0
197.43117	3.1
416.17163	82.1
417.17432	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	466.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63507	0.5
59.01375	1.5
61.98835	2.6
62.94084	0.5
71.01403	0.6
71.41288	0.7
72.00902	11.0
78.95913	1.0
89.02461	1.0
91.05491	0.9
96.96033	1.3
103.05556	0.8
113.02486	0.5
123.00888	2.2
138.03210	2.3
139.03993	1.9
147.04517	34.4
148.04822	1.2
164.07158	100.0
165.07515	2.9
179.41986	0.6
232.93959	0.6
279.10773	0.6
301.09225	2.6
322.06091	0.9
322.46112	0.6
448.06549	1.1
463.65250	0.5
466.16492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91532	9.3
53.53822	10.0
59.01386	94.2
61.98834	100.0
71.01376	28.9
73.02950	13.7
82.06469	10.1
83.01393	14.8
87.00878	21.6
90.62154	10.2
95.60916	11.3
108.91484	11.0
113.02462	17.2
115.04026	12.2
119.71398	10.5
127.04010	19.9
137.06178	12.8
139.04106	13.6
148.07597	11.1
155.57927	9.8
158.69894	9.9
173.04539	16.2
176.08437	14.2
201.09290	23.1
220.07280	18.3
235.09651	62.1
243.10385	12.0
254.09431	12.2
269.11917	16.5
287.12863	27.1
296.14944	15.3
303.12347	24.2
304.07556	16.7
304.12784	40.0
305.13910	34.4
404.20734	19.1
422.21707	23.1
466.13818	24.0
466.20947	31.2
467.19492	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	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45706	0.4
59.01379	6.2
60.01707	0.6
61.98829	100.0
69.03471	0.5
69.24168	2.1
71.01377	3.1
71.05004	0.4
72.01712	0.4
73.02954	1.4
82.95410	1.1
84.95144	0.6
85.02962	1.5
87.00893	0.7
89.02451	2.8
90.02782	0.6
93.03478	0.6
95.04991	0.5
99.00914	0.5
101.02449	1.8
113.02467	1.3
115.03970	0.4
119.03538	1.1
131.03516	0.5
135.04512	0.4
139.04050	0.6
143.03549	0.8
150.05624	1.0
173.04564	0.9
179.05684	0.8
187.07695	0.6
191.05617	2.8
197.04599	0.6
269.10303	2.3
274.14478	0.6
299.85184	0.4
304.15475	0.9
352.10150	1.3
372.18216	1.3
375.19193	0.4
390.19366	1.2
404.21112	0.7
406.21402	2.7
448.12503	0.5
448.19659	0.9
466.13992	0.5
466.20746	11.1
467.21375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.7
57.03443	18.1
59.01378	9.0
59.21936	1.2
59.74606	1.2
61.98831	8.4
67.01891	1.3
71.01382	5.9
71.42848	1.4
73.02944	2.3
81.03445	5.3
85.02946	7.4
87.00860	8.6
89.02451	1.8
93.03442	7.6
93.07101	2.7
96.04550	20.1
100.91570	1.2
101.02402	3.5
109.02940	3.8
112.01677	6.2
113.02449	5.6
114.24723	1.2
119.05074	2.2
121.06589	7.3
122.03728	1.3
124.01666	2.8
125.02464	9.4
127.04019	14.5
127.04995	2.1
131.03583	1.5
133.06615	1.9
135.04578	1.8
136.05289	2.8
137.02422	2.4
137.06079	27.5
138.06459	1.3
144.00642	2.8
144.04562	1.4
146.06114	36.8
149.06100	1.8
149.09689	1.8
150.03204	5.7
151.04007	3.5
151.07600	1.5
152.01100	1.4
158.30707	1.2
159.08130	12.9
161.05978	1.8
164.04764	2.7
165.05560	71.9
166.05890	1.6
171.08087	1.2
173.04517	4.3
173.05949	1.3
173.96417	1.3
176.08427	1.6
177.09207	4.0
177.31929	1.3
187.07639	1.9
189.09180	6.2
190.05087	8.8
190.17325	1.3
191.05594	28.0
191.07266	2.3
191.10820	1.7
200.09244	22.4
200.10945	2.5
203.07072	2.0
205.04935	1.7
209.08224	3.6
215.06999	1.7
219.06680	1.6
233.08144	3.3
249.07539	2.6
251.09221	54.5
252.09627	1.6
257.08093	1.8
272.02695	2.9
274.03238	1.8
275.09354	2.0
300.02402	1.8
301.03009	4.9
302.03537	4.1
302.13885	1.8
303.03613	5.6
304.04477	2.1
315.09787	1.7
323.12411	2.6
330.13382	1.9
348.14676	7.9
352.10330	6.8
362.16022	3.9
390.19186	1.7
434.18152	39.6
435.18509	3.0
448.19537	3.6
449.14386	3.7
462.90643	1.4
466.10806	12.7
466.20737	100.0
467.15396	2.1
467.21259	8.8
467.28458	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80293	0.9
55.01875	16.3
57.03440	2.9
59.01377	45.7
60.01704	1.7
61.01791	1.5
61.98828	23.1
67.01876	1.1
69.03459	1.4
69.16481	6.2
71.01373	3.0
73.02940	4.2
76.65072	1.0
83.05024	1.6
84.02161	2.3
85.02949	3.6
87.00873	3.8
89.02435	2.3
93.03448	1.5
94.98103	2.2
96.95998	2.9
97.02954	2.4
97.06541	1.2
98.03732	4.1
99.00896	1.3
99.30473	1.0
100.93371	6.4
101.02431	2.3
107.05016	1.4
109.06602	3.7
111.04499	2.0
112.01664	39.3
113.02486	1.7
115.03963	2.1
115.92060	9.0
116.92896	6.3
123.04514	1.1
125.02468	2.2
127.00397	2.2
127.04016	100.0
128.04346	1.5
129.05598	1.3
131.03510	1.1
134.03741	2.0
138.03271	1.1
138.39496	0.9
140.68729	1.0
144.00642	18.4
149.51689	1.0
153.05571	9.7
160.01637	1.3
165.01961	2.4
168.04250	1.0
175.03922	1.5
176.01059	1.4
180.04303	1.4
183.61263	1.1
191.05618	14.2
193.01346	1.8
193.05014	4.2
195.06616	2.7
208.03651	1.6
210.97029	1.9
223.06142	3.5
228.98093	4.0
261.56851	1.0
261.95773	1.9
262.18042	1.1
272.16675	1.2
302.17496	2.3
304.15408	1.6
306.17126	11.6
318.17133	7.9
321.09845	2.0
348.18027	1.2
350.19696	6.1
353.08685	1.2
358.20206	40.4
359.20566	1.7
377.12622	1.5
378.19019	2.3
390.22876	6.5
405.02759	2.6
406.21942	1.9
422.21802	3.7
434.21762	6.1
437.01892	1.7
466.20413	6.3
466.24707	7.1
467.15564	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62588	0.4
55.01875	14.6
57.03437	0.8
59.01376	5.3
61.98827	3.8
67.01870	0.8
71.01375	0.6
73.02945	0.7
75.78485	0.3
84.02164	2.2
85.02951	1.1
87.00863	1.4
87.04546	0.3
93.03448	1.1
97.02925	0.7
98.03734	0.8
99.00877	1.4
99.04536	0.6
111.00910	0.3
112.01661	44.6
115.03974	0.5
117.93410	0.3
121.02949	1.5
127.04007	100.0
127.32018	0.3
128.04338	1.6
141.39023	0.4
142.04387	0.3
144.00641	17.5
149.06090	0.7
159.59001	0.3
173.04591	0.6
182.80614	0.3
184.09837	0.5
184.68858	0.3
187.07745	0.3
189.06944	0.4
191.05609	13.5
242.67203	0.3
244.17079	0.5
262.18170	1.1
263.07584	0.4
267.07190	0.7
288.16068	0.7
304.15503	0.4
305.37848	0.3
306.17090	13.2
323.12451	0.5
350.15939	0.6
353.08569	0.9
360.47980	0.4
385.11362	2.0
406.22357	0.4
407.08704	0.4
449.14630	0.8
450.84222	0.4
466.19962	2.8
467.21393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25561	0.5
55.01877	12.6
59.01380	12.5
61.98819	3.6
66.87238	0.5
67.01882	0.8
70.48946	1.0
71.01415	0.5
73.02947	1.2
79.18272	0.4
84.02162	3.0
87.00877	2.2
99.00891	0.7
112.01666	52.3
115.00385	0.6
127.04015	100.0
128.04358	1.9
144.00636	13.5
262.18103	1.0
306.17099	13.2
378.19263	1.0
406.21259	0.6
454.12335	0.7
466.23874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24603	0.3
58.10019	0.2
59.01389	0.4
61.98830	100.0
67.47644	0.2
69.60735	0.8
82.69878	0.2
87.82317	0.2
90.05047	0.2
98.22538	0.5
113.87096	0.2
133.02977	0.3
152.99611	0.3
161.02493	0.6
261.61301	0.3
355.26349	0.3
416.17133	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	467.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85100	1.3
55.01878	1.8
57.03435	3.3
58.02963	4.0
58.64873	1.4
59.01376	11.7
60.99297	1.6
61.98824	9.5
65.59689	1.3
67.01892	3.8
71.01392	7.9
73.02942	3.1
74.02471	16.2
78.95943	1.3
79.97955	1.8
81.03468	1.6
82.03001	5.1
83.01390	5.8
83.05038	1.6
85.02947	9.2
86.99106	1.5
87.00857	2.7
87.05627	5.0
89.02488	2.0
93.03445	18.7
96.04550	11.0
97.04074	8.9
98.02453	7.4
99.00864	3.2
99.05643	7.4
100.00412	5.0
101.02425	6.4
108.02188	1.7
108.03310	1.4
108.04569	6.7
109.02937	2.0
109.04102	1.9
110.02475	3.2
111.00928	1.6
111.04493	2.9
112.01686	3.3
112.04034	7.3
112.07672	4.5
113.02439	3.6
113.03586	3.0
116.01749	3.4
119.05020	11.0
122.06139	2.8
124.04012	7.2
125.02624	2.5
125.03558	16.9
126.04356	1.5
127.04009	4.2
127.05165	3.7
131.03546	2.5
134.02463	2.0
137.02428	2.2
137.07166	7.8
138.05615	4.8
139.05124	9.7
140.07175	3.3
143.04622	3.9
146.06117	3.4
147.05589	3.2
151.05107	2.1
152.03558	6.7
153.06720	2.7
155.08255	11.2
158.03723	1.5
160.00725	20.9
161.04446	1.6
163.04016	6.6
163.05186	1.6
165.06682	17.7
166.05042	1.3
169.06184	1.5
171.10237	1.8
173.04553	11.7
178.01454	5.4
179.01804	1.4
179.04648	2.0
181.06221	7.1
183.07758	5.5
187.07613	4.3
191.05629	100.0
195.04860	3.2
196.02496	2.8
209.05640	14.6
212.92801	1.2
213.09286	1.7
225.05162	39.4
227.06752	7.0
243.04364	3.3
253.04657	93.4
254.04910	2.4
257.08237	8.6
259.03894	13.4
261.05432	4.0
271.05765	13.7
275.09268	3.2
287.03363	10.7
293.10464	1.4
305.04480	13.9
345.00427	1.4
353.08969	3.0
436.19797	2.1
449.14960	10.5
467.10764	19.3
467.21771	3.4
467.28616	17.2
468.22440	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	467.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14656	0.9
57.03447	0.8
58.02966	4.7
58.99556	0.8
59.01384	4.9
61.98830	8.7
67.01917	0.9
69.09778	5.8
70.02977	1.4
71.01369	3.9
72.00858	1.1
72.04512	1.8
73.02942	1.3
74.02469	17.1
80.05055	1.6
81.03442	1.0
82.02984	5.2
83.01373	2.7
84.00881	2.3
85.02937	3.1
86.06120	1.0
86.99104	1.0
87.00866	1.5
87.05626	4.1
90.01524	0.9
91.72443	0.8
93.03445	3.6
96.00908	1.0
96.04546	11.6
97.04073	8.1
98.02455	7.2
99.00858	1.4
99.05634	8.4
100.00386	3.6
101.02419	5.5
108.03334	1.1
108.04545	9.2
109.04063	2.4
110.02470	3.0
111.02028	0.9
112.04042	10.4
112.07655	6.4
113.02441	2.3
113.03540	2.8
116.01757	2.9
122.06089	3.5
124.04035	9.2
125.02566	1.5
125.03560	20.3
125.04760	2.1
126.01953	1.1
126.05595	2.2
127.05123	4.2
128.98123	0.9
129.99649	1.0
134.02464	1.3
134.03659	1.3
135.05553	1.1
137.07198	11.8
138.05586	3.5
139.05139	8.7
140.07182	5.0
143.04572	3.6
146.06082	2.6
147.04491	1.8
147.05621	3.4
147.06592	1.4
150.04315	1.1
151.05161	1.4
152.03493	5.7
153.06703	2.1
155.08252	10.7
156.03087	1.3
159.99466	1.3
160.00728	23.5
161.04462	1.7
163.05095	2.6
165.05324	1.0
165.06674	18.7
166.05104	1.2
168.03044	0.8
169.06210	1.3
171.10208	1.3
173.04517	2.2
177.03348	1.4
178.01392	6.6
179.01727	1.5
179.04584	2.5
181.06163	7.7
183.07718	4.6
187.07573	1.0
189.06711	1.8
191.05690	18.8
195.04842	2.0
196.02489	3.2
197.05595	1.3
199.07228	1.3
209.03787	1.1
209.05669	16.0
225.05148	41.0
227.06734	7.1
241.04437	1.1
243.04550	5.8
253.04646	100.0
254.05019	2.0
259.03876	12.9
261.05450	3.9
269.04678	1.0
271.05710	13.8
287.03409	10.7
305.04468	22.3
305.23346	1.5
323.12415	1.3
449.10107	2.7
449.14984	2.5
467.11130	24.9
467.28751	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	467.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27110	0.4
55.01874	0.6
57.03444	3.6
59.01375	8.0
61.98825	1.3
71.01373	3.0
73.02930	0.5
73.49883	0.3
74.02457	0.4
76.55416	0.4
78.46664	0.4
85.02944	5.8
87.00854	1.6
87.04511	0.7
89.02439	1.1
90.63674	0.3
91.19019	0.3
91.89967	0.3
93.03474	2.3
94.98062	1.2
95.44433	0.3
96.35622	0.3
99.04507	2.5
101.02437	2.4
107.64298	0.4
108.97647	0.4
111.04474	0.7
112.01657	1.1
113.02450	0.8
125.02430	1.1
127.04025	3.5
128.03571	0.5
128.04401	0.5
131.03468	0.8
135.04523	1.3
136.97314	0.3
143.03468	0.4
143.04578	0.7
144.00580	0.6
145.07677	0.7
153.01944	1.0
160.05243	0.4
160.06363	2.0
161.02469	1.9
161.04553	1.1
161.07205	5.2
168.04295	0.9
173.04555	2.0
175.08742	3.4
179.03537	0.7
182.88393	0.3
183.06612	0.9
183.86092	0.3
185.10753	0.4
187.08783	0.7
189.04970	0.4
189.06699	10.5
191.05609	100.0
192.06006	2.0
199.56534	0.4
201.10368	0.8
203.08298	3.6
203.11987	0.7
209.18987	0.4
229.09830	2.4
245.10945	0.3
263.12878	0.8
273.64661	0.4
305.11362	4.9
305.23386	0.5
306.07700	0.7
306.17023	0.4
323.12460	13.7
323.16263	0.7
353.05377	0.3
353.08777	7.8
354.09137	0.7
365.13489	1.2
432.12555	0.5
456.17114	0.4
467.15897	0.5
467.24075	0.6
467.28732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98832	75.0
68.99568	16.2
69.09944	67.0
71.01388	24.7
85.02968	14.4
89.02453	25.7
93.03449	15.0
101.02473	14.1
101.06901	11.8
113.02432	26.0
119.03445	12.5
139.03978	60.9
143.70752	11.0
161.02438	36.9
172.95421	17.1
173.04475	25.5
175.03818	12.3
176.04784	46.5
191.05585	14.0
253.08740	25.0
254.09422	10.9
269.11829	17.3
287.12863	12.9
339.08685	25.6
357.13495	62.1
401.12314	24.0
413.12601	27.0
422.39063	11.8
467.19211	22.8
474.90540	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	467.1556
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
57.03434	2.4
59.01117	1.7
59.01377	21.5
60.99297	2.4
61.98818	4.0
65.03957	1.9
67.01890	9.8
69.03433	3.2
69.27953	5.9
71.01382	8.5
71.97648	1.2
72.99306	2.5
73.02922	1.8
81.03452	3.5
83.05026	3.1
85.02951	10.6
87.00883	12.1
93.03457	59.8
95.01377	1.7
97.06592	3.5
99.00862	2.1
99.04504	2.2
101.02448	3.4
108.02148	2.8
109.02948	25.3
111.00935	1.4
111.04510	11.5
113.02455	2.4
121.02963	2.9
124.27368	1.5
127.03998	2.2
129.01898	1.5
133.02913	4.8
134.03745	67.1
135.04539	13.9
136.01663	16.5
136.46330	1.3
137.02441	55.4
138.02773	1.8
139.03966	5.6
148.22006	1.1
151.04018	15.4
155.03476	7.9
161.04556	2.2
173.04546	100.0
174.04874	1.9
177.01913	5.0
178.02710	14.0
179.03423	4.8
187.07556	1.6
191.05603	90.1
192.05853	1.9
195.02979	5.0
200.04573	1.5
203.10748	4.5
213.09169	1.7
231.10269	9.7
232.05750	1.7
233.06494	2.3
257.08170	3.0
271.05939	1.3
272.06870	3.4
275.09210	9.7
287.09244	14.0
293.10306	73.6
294.10529	2.6
305.10300	53.6
305.23239	2.7
306.10681	2.4
337.98978	1.4
370.08890	3.8
437.14340	1.4
449.14590	10.9
467.15515	50.8
467.22232	2.4
467.28378	7.5
468.15994	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	467.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
57.03445	2.8
59.01083	1.4
59.01380	23.9
60.90787	0.6
60.99303	2.4
61.98832	3.6
67.01886	6.0
69.03448	2.0
71.01382	18.4
71.18645	1.0
72.99302	1.6
73.02949	6.8
81.03445	1.9
83.01363	4.1
83.05024	1.3
85.02946	15.3
87.00385	1.2
87.00873	8.4
89.02429	3.4
93.03455	40.2
95.01368	1.5
97.06595	1.1
99.00912	3.2
101.02442	15.0
108.02168	1.4
109.02958	5.4
111.00880	3.2
111.04522	8.4
113.02447	6.6
114.77354	0.7
119.03490	1.2
125.02425	0.8
127.03994	1.9
129.01926	2.3
133.02995	1.6
134.02704	1.4
134.03741	26.5
135.04576	5.9
136.01665	11.1
137.02458	8.8
139.04025	2.6
143.03514	1.6
151.03995	1.1
155.03505	5.2
158.03706	1.0
159.02974	2.0
159.04356	1.4
161.04590	4.0
171.10262	1.6
173.04546	70.5
174.04877	1.9
174.06856	2.4
175.07643	1.3
177.01927	1.9
178.02702	3.7
179.03473	1.7
187.04047	0.8
187.07637	6.8
191.05606	100.0
192.05992	2.4
195.02983	1.4
202.06400	1.9
203.10796	4.2
213.09227	3.2
215.07204	1.3
231.10266	10.4
233.06377	1.1
233.08368	1.5
249.11435	1.4
257.08194	9.8
275.09241	13.3
276.09818	0.9
293.10309	34.8
294.10739	1.7
303.21738	1.3
305.23309	9.2
352.89053	0.7
384.10724	0.7
449.14496	17.6
467.15549	23.6
467.28564	55.9
468.15549	1.8
468.28992	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	467.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03169	2.5
57.03447	50.1
59.01078	2.8
59.01378	53.1
59.36385	1.2
60.99293	2.0
61.98823	4.3
67.01872	4.6
69.03457	2.0
69.35271	5.3
71.01379	18.9
72.99311	2.5
73.02953	5.8
79.02255	1.4
81.03458	3.1
83.01371	2.5
83.05029	1.8
85.02950	10.5
87.00885	6.4
89.02438	8.4
93.03458	37.3
95.01421	1.4
97.06575	2.2
98.22672	1.6
98.57335	1.3
99.04520	22.9
101.02448	16.9
109.02969	7.4
109.03590	1.3
111.04515	10.2
113.02425	3.5
116.92847	1.9
118.92627	1.4
119.03448	1.6
119.05024	2.9
125.02441	8.2
133.03014	2.1
134.03740	40.1
135.04550	11.3
136.01668	12.2
137.02449	10.1
145.07689	4.6
151.04034	4.5
155.03496	5.7
160.01784	1.6
160.06409	14.9
161.04541	15.0
161.07198	46.4
162.88878	1.3
163.03984	1.7
171.10281	2.6
173.04541	64.3
173.10844	2.2
174.04807	1.9
174.06873	1.9
175.08769	32.9
177.01892	1.8
178.02670	8.4
179.03528	2.3
185.10896	1.9
187.07379	2.4
187.08771	5.5
189.06691	86.3
190.06990	2.2
191.05606	83.0
192.05899	1.9
195.03078	1.5
201.10329	6.0
203.08255	37.6
203.12094	8.7
213.09261	1.9
217.12367	1.9
229.09846	20.6
231.10191	8.5
232.05870	1.6
257.08255	6.9
261.11261	3.5
275.09213	11.2
277.11951	4.3
293.10327	46.1
305.11429	71.5
305.23361	4.1
306.11722	4.9
323.12463	100.0
324.12717	5.1
344.87100	1.6
365.13474	14.8
388.12344	1.5
405.16693	2.0
407.19119	1.9
449.14294	7.6
467.15710	27.6
467.28442	13.1
468.16220	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	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.84166	0.3
57.03449	9.5
59.01379	14.8
61.98838	3.7
67.01868	0.5
69.03438	0.6
70.65028	0.7
71.01383	4.7
72.99320	0.4
73.02939	1.6
73.72874	0.4
74.02445	0.4
77.12383	0.3
81.96697	0.4
83.01327	0.4
83.05023	0.6
85.02949	6.1
87.00883	1.9
89.02441	2.8
93.03450	2.7
99.00869	0.5
99.04518	5.5
101.02449	5.2
109.02974	0.5
111.04520	1.5
112.01653	1.9
113.02491	0.9
119.03455	0.7
125.02451	3.6
127.04014	4.5
128.04379	0.9
129.05617	0.5
131.03511	0.8
133.02959	0.8
135.04527	1.2
137.06064	0.6
143.03490	0.4
143.04602	0.7
144.00693	0.4
145.07724	1.1
153.01942	0.5
160.06436	4.1
161.02435	1.6
161.04596	3.0
161.07188	15.9
161.08543	0.8
162.07518	0.4
173.04480	1.7
175.08754	8.7
175.10268	0.5
179.03372	0.9
185.10869	0.6
186.34206	0.4
187.08748	1.6
189.06689	27.9
190.07118	0.7
191.05606	100.0
192.05949	2.1
201.10342	2.7
203.06415	0.7
203.08253	9.7
203.11888	3.0
204.08459	0.4
217.09924	0.5
229.09830	7.0
239.23639	0.4
244.94656	0.4
261.11240	0.8
263.12747	0.5
277.12085	1.0
288.06393	0.4
305.11401	16.2
305.23325	0.6
306.07629	1.4
306.11435	0.8
307.17545	0.6
323.12451	36.1
324.12744	2.0
344.47028	0.5
353.08768	7.8
365.13379	2.0
405.16733	0.5
467.15689	1.1
467.29480	4.1
468.22095	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	467.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99758	0.8
59.21467	0.7
67.29391	0.7
69.83959	1.2
69.84312	2.1
91.05521	3.1
98.22712	0.7
105.03461	1.3
107.05019	10.9
111.00895	8.6
115.05556	1.4
121.06600	1.5
122.03740	1.7
125.05048	0.7
135.04532	20.6
136.05251	2.4
148.05315	0.9
149.06053	6.5
157.06575	2.2
169.10205	1.5
171.08032	0.8
173.06061	10.2
174.06891	1.8
175.04007	0.9
182.07234	0.8
183.08067	3.2
185.06024	1.6
195.08110	1.5
196.08846	1.2
197.09772	4.2
199.03941	0.8
199.07648	0.9
201.05536	3.6
202.06343	1.1
211.07671	1.6
211.11278	0.8
213.05618	4.1
213.09195	5.6
223.07620	1.3
224.20212	0.7
225.09166	6.8
226.06543	3.5
226.09946	20.0
227.07074	3.1
227.10753	24.1
228.10989	1.1
237.09174	1.9
239.07098	1.1
239.10809	2.9
240.07889	1.3
240.11551	4.4
241.08717	7.3
247.11229	1.1
249.12689	1.2
253.08670	1.4
261.09122	1.0
263.10739	0.8
265.12332	13.7
270.08954	1.2
271.09546	1.3
271.15402	0.8
273.12842	1.7
275.11124	1.1
276.11560	2.2
277.15823	1.1
281.11819	1.1
287.14395	5.3
288.15121	2.3
289.12411	1.5
302.13055	1.0
314.13055	1.3
317.11871	2.6
331.13101	1.9
332.14294	4.5
337.86862	0.9
343.09833	1.2
358.12167	0.8
362.11169	0.8
363.17953	0.8
367.16907	2.6
379.20712	7.7
405.18399	0.9
423.19623	100.0
424.19962	8.0
449.17398	3.5
467.23126	16.1
468.22565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01616	0.2
55.01860	2.4
55.02116	0.2
69.19165	1.0
95.05004	0.6
96.95979	0.2
98.22612	0.4
115.05522	0.4
117.07072	0.3
121.02909	0.3
122.03745	0.3
127.05514	1.5
130.17833	0.2
135.04468	0.3
136.05292	9.3
139.05339	0.2
143.04967	0.3
147.43172	0.2
149.02493	0.4
151.03958	0.4
155.08641	0.5
157.06557	0.3
157.99976	0.2
165.07086	1.6
167.08620	0.6
169.06587	0.3
171.08147	0.8
173.05981	0.5
175.03996	0.4
180.19888	0.2
180.33290	0.2
183.08165	1.5
183.11751	0.3
199.07637	1.7
201.05573	0.4
201.09186	0.4
209.06071	1.1
211.07629	52.9
212.07904	1.5
213.09167	0.5
215.07147	0.4
224.04761	0.4
225.09192	0.6
226.09846	0.3
227.10759	42.5
228.04247	0.9
228.11087	1.4
237.09328	0.2
239.07121	100.0
240.07672	6.2
241.08606	0.7
243.06528	0.8
256.03781	0.8
263.10806	0.3
265.12259	0.3
267.06595	0.3
267.13885	0.3
270.05289	0.3
271.06100	5.9
272.06750	0.4
291.10294	0.7
292.11249	0.3
319.09650	0.4
333.11215	0.4
333.14847	0.4
347.09161	0.5
361.10635	0.3
362.11557	5.2
363.12097	0.7
439.19235	1.3
467.18594	30.2
468.19003	2.8
468.25079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
70.63830	0.6
70.64175	0.6
75.00866	1.3
81.56094	0.5
83.09290	0.5
88.97748	0.5
88.98440	0.5
91.02862	0.5
91.12967	0.6
95.01392	1.2
98.28417	0.5
109.02949	4.3
110.03728	1.4
113.76344	0.5
122.03763	1.6
123.00846	0.8
124.01633	0.9
125.02448	0.8
135.02965	2.2
135.04520	0.7
136.01669	1.8
136.05315	1.0
137.02446	32.8
138.03252	4.4
149.02408	0.7
150.03180	2.1
165.01933	27.4
166.02698	4.6
179.03586	0.5
191.86476	0.5
211.07623	1.6
213.09238	1.0
225.09209	1.9
227.07120	1.3
227.10725	3.3
229.08684	1.1
232.07339	0.5
239.07027	2.4
241.08733	1.1
249.61603	0.5
255.06604	7.5
256.07376	9.4
257.08170	20.2
258.08713	0.9
277.17987	1.0
293.17590	2.6
305.11823	1.0
305.17618	2.2
321.17004	1.2
333.17014	1.6
349.16519	1.0
358.12344	0.6
361.10767	2.1
363.18304	0.6
376.13162	0.7
423.20163	0.8
439.19174	2.8
467.18655	100.0
468.18896	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59393	2.4
70.86293	3.8
75.00862	16.2
76.16607	2.4
78.95906	3.2
90.79768	2.4
101.48222	2.4
105.46603	2.4
109.02972	2.6
117.53218	2.8
122.03733	3.3
123.00836	2.7
124.01683	3.0
135.02969	22.8
136.01665	7.2
137.02318	2.7
150.03241	6.4
151.00400	3.7
165.02008	2.6
178.88588	2.4
219.17595	4.1
231.17572	5.4
233.19101	2.7
249.18518	2.9
255.23283	3.3
261.18512	3.6
265.18164	3.3
277.18045	22.3
291.19617	2.8
293.17581	25.0
305.17596	27.8
307.19174	6.1
319.19128	3.6
321.17035	12.5
331.19330	2.6
333.17087	22.8
335.18668	4.6
349.16479	9.8
363.18076	4.3
423.20212	5.7
449.07007	3.0
467.19189	100.0
468.19592	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	467.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.8
59.01376	100.0
60.99310	1.4
61.98830	16.8
67.01869	3.6
69.03460	2.0
71.01377	52.1
71.41714	1.4
71.61076	1.1
72.99316	1.9
73.02926	2.7
85.02949	9.2
87.00885	7.8
87.04526	1.4
89.02439	75.3
93.02859	3.0
93.03452	49.7
95.01374	3.6
95.08522	1.3
100.31590	1.2
101.02443	26.4
102.98693	1.2
109.02938	1.5
109.09518	1.3
111.04530	7.0
113.02445	28.8
117.19064	1.2
119.03500	31.4
125.02440	1.5
129.02008	1.5
131.03474	8.9
133.02934	3.0
134.03714	8.6
135.04500	5.7
136.01646	12.1
137.02448	20.6
138.02782	1.6
139.03998	3.1
141.19272	1.2
143.03458	7.4
149.04514	4.0
151.04015	13.9
155.03487	3.2
159.06183	1.2
161.04549	10.3
173.04543	31.0
178.02719	5.2
179.05605	70.1
191.05576	14.9
192.05963	1.3
227.00676	1.5
233.06718	4.2
245.11809	2.5
275.09250	2.1
293.08853	4.6
346.48987	1.5
449.14584	17.2
467.15509	12.8
467.22247	2.5
489.18866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03398	0.1
59.01358	0.4
60.09562	0.2
60.95753	0.1
60.99290	0.6
61.54969	0.2
61.98822	0.2
67.01885	1.4
67.29456	0.2
69.03449	2.1
69.60558	0.6
71.01378	1.3
73.02922	0.2
73.20972	0.1
74.95079	0.2
78.07363	0.2
79.05523	0.6
81.03456	0.4
83.04990	0.3
85.02936	0.5
87.00878	2.5
93.03457	10.2
99.00879	0.3
101.02448	0.4
104.02673	0.6
104.73763	0.1
104.76629	0.1
106.67049	0.1
109.02977	0.1
111.04519	1.4
113.02442	7.2
118.04230	0.3
129.07112	0.3
130.04250	2.2
133.02959	0.4
134.03748	1.4
135.03725	0.1
135.04547	1.4
136.05296	0.3
137.02501	0.2
143.08653	0.3
145.10211	2.0
155.03496	0.4
155.08624	0.9
157.06577	3.0
158.07370	0.7
161.04564	0.9
165.62318	0.2
171.08191	0.5
173.04538	6.0
173.09686	3.4
177.01846	0.2
178.02725	0.7
179.03481	0.4
191.05904	2.0
191.10762	100.0
192.11108	2.9
217.08755	0.3
266.27274	0.2
283.37848	0.2
308.08807	0.3
314.80225	0.1
352.07941	0.2
353.16068	0.3
402.41272	0.1
437.35599	0.2
449.14435	4.7
450.14807	0.3
467.15509	4.2
468.15887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61282	0.4
55.01886	0.8
57.03451	0.8
59.01376	13.3
61.98838	3.1
65.47258	0.4
67.01925	0.4
68.59957	0.4
69.57021	1.5
71.01382	6.5
71.89082	0.4
73.02950	1.6
79.95731	0.8
83.01412	0.5
84.24259	0.4
84.95112	0.9
85.02939	2.8
87.00887	0.6
89.02445	5.1
93.03449	4.4
95.01392	0.7
96.01252	0.4
96.85930	0.4
96.96004	2.9
97.06573	0.6
98.21825	0.4
99.04501	1.4
100.29548	0.4
101.02433	4.0
106.04236	1.7
107.05027	3.8
109.02919	0.6
111.66278	0.4
113.02451	3.2
114.93447	0.6
116.92861	1.4
119.03504	2.0
119.05025	5.4
121.06590	13.4
122.03715	0.7
123.04511	3.8
123.08199	0.8
125.06079	4.0
127.07704	0.5
135.04446	1.0
135.08156	4.0
136.05315	0.5
137.06058	6.9
137.09712	1.1
138.03241	1.0
139.04054	1.6
139.07649	7.0
147.04530	1.6
149.06073	5.7
151.04002	1.5
151.07700	0.6
152.04787	4.2
153.05537	0.7
153.09207	3.0
161.04568	0.9
163.07648	26.8
165.05563	21.0
166.06346	73.9
167.07130	10.8
168.07303	0.5
171.08182	0.5
173.04575	0.6
176.73331	0.5
177.09193	0.5
179.05688	0.9
179.07143	0.9
181.05142	0.8
181.08708	17.0
182.09132	0.6
185.09773	0.5
187.07738	0.4
187.11243	2.3
197.09673	0.8
199.09753	0.6
199.11372	0.6
208.07317	1.3
209.09747	1.1
213.09248	1.6
215.10829	1.2
218.96504	1.1
219.10320	0.7
225.12915	0.9
227.10757	5.3
229.08856	0.6
231.10185	2.6
233.11740	0.6
236.08308	1.2
238.71130	0.5
241.12305	1.7
243.10272	0.9
243.13922	1.0
245.11810	2.0
251.10696	3.6
254.09450	1.8
259.13388	1.8
269.11819	10.8
270.12213	0.5
271.09656	0.8
272.10538	9.7
273.10785	0.6
287.12875	100.0
288.13235	4.2
305.13974	7.6
328.11542	0.8
329.13885	1.3
361.15051	0.7
366.00751	0.6
381.03253	1.3
452.17245	0.7
467.19199	81.9
468.19492	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	467.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01374	4.3
61.98500	0.5
61.98826	8.3
63.03794	0.4
65.84401	0.4
68.07204	0.3
69.03439	0.5
69.20600	1.9
71.01414	0.6
71.05002	0.6
72.13354	0.4
73.02935	1.9
75.00884	0.5
75.88568	0.3
83.05036	0.6
85.02953	1.9
93.03450	4.3
95.05056	0.5
97.06587	1.3
99.04516	4.4
101.02448	0.8
101.06111	0.4
106.04259	2.1
107.05032	9.1
109.02979	0.5
109.06586	1.3
111.08187	0.4
113.06089	0.4
119.05027	6.4
121.06595	16.6
123.04519	0.6
125.06081	6.5
127.07674	2.2
133.02983	0.4
133.06601	1.7
135.04520	0.6
135.08167	4.6
136.05273	0.6
137.06078	2.4
137.09792	0.4
139.07625	4.4
145.06577	1.1
147.04474	0.4
148.05217	0.6
149.06061	1.3
151.07680	0.4
152.35716	0.4
153.09293	1.9
155.07133	0.5
155.08635	0.6
159.08195	0.5
161.09738	1.9
163.07646	13.3
165.05556	0.6
166.06334	1.1
170.07362	0.6
171.08186	1.0
173.04514	0.4
173.09744	2.6
175.07674	0.8
177.09222	1.8
179.36525	0.4
181.08673	1.2
183.08174	0.7
185.09715	1.1
187.07690	1.8
187.11267	5.2
197.09708	3.6
199.09721	1.2
199.11339	1.7
201.09277	2.4
203.10806	0.9
205.08713	2.7
209.09700	7.4
213.09195	8.3
215.10753	7.9
217.12358	0.7
223.11391	0.5
225.09242	1.2
226.10071	0.5
227.10776	11.2
231.10274	8.2
231.12350	0.2
233.09683	0.5
233.11847	4.3
236.08392	1.2
239.10689	0.4
241.12337	2.4
241.14488	0.4
243.10283	1.3
245.11737	1.9
251.10762	9.9
259.13342	1.0
261.11508	0.5
268.03769	0.5
269.11816	15.8
270.12106	0.6
287.12860	4.9
305.13937	100.0
306.14264	4.0
321.79041	0.4
337.01407	0.4
431.09738	0.5
467.19525	0.5
467.25452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26056	2.9
58.10391	3.0
58.43700	3.2
62.16951	2.8
70.33532	6.1
75.00880	19.1
107.35303	3.1
135.03001	21.5
136.01637	9.3
150.03214	5.1
203.18115	3.9
231.17514	3.7
233.19086	3.4
233.52219	4.0
261.18607	4.2
265.18033	3.3
277.18091	15.1
293.17615	26.2
305.17584	32.1
307.19055	7.8
321.17090	15.1
333.17078	21.4
349.16547	8.4
363.18008	6.3
378.49573	3.3
423.20328	4.8
467.19156	100.0
468.19440	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	467.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83464	1.4
55.39749	1.2
59.01382	1.4
69.29855	4.0
69.30247	2.4
72.30625	1.3
75.00875	1.9
78.95908	6.1
81.78774	1.2
107.05058	4.9
121.02988	1.7
122.03796	2.4
123.04574	4.1
125.61669	1.5
134.03790	4.2
135.03053	1.8
135.04526	17.2
136.05328	2.0
148.05289	6.7
149.06075	16.6
150.03273	1.9
151.04089	4.6
152.99612	2.1
153.11760	1.3
162.06906	2.0
170.88478	2.6
175.04045	9.9
189.05537	14.5
190.06433	2.8
197.10120	1.1
204.04414	1.2
209.32999	1.2
211.07677	2.0
212.71564	1.3
213.09317	3.0
225.09198	24.6
225.11214	1.8
226.09953	27.9
227.10692	7.6
239.07344	2.8
239.08270	1.7
239.10760	20.9
239.12892	1.5
240.08009	3.6
240.11559	20.6
241.08702	22.4
241.12416	3.7
242.09492	2.9
243.10318	4.2
253.08865	2.1
253.12453	3.4
266.09622	5.0
267.10364	2.3
280.10953	6.5
281.11798	36.7
282.12231	1.9
293.17703	2.9
295.13547	4.9
305.17694	2.1
333.17368	1.5
344.01535	1.3
407.17877	1.3
411.19522	9.5
425.21417	2.7
449.21875	1.4
467.22562	100.0
468.22940	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	468.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
56.36970	1.0
57.03434	4.9
58.02969	10.3
59.01371	2.4
61.98824	11.9
66.03487	1.3
69.34995	5.4
70.02975	1.6
71.01372	1.8
72.00889	2.2
74.02467	22.0
81.04551	1.2
82.03003	1.7
84.04543	1.2
85.02946	2.6
86.02469	6.5
86.06094	1.4
86.99090	1.6
87.05623	4.9
88.04050	1.0
97.04044	3.1
99.05634	17.0
101.07199	2.1
102.05614	3.0
109.04070	2.5
112.01653	2.3
112.04046	2.1
113.03567	1.9
116.01747	2.7
121.02969	2.0
123.05678	2.1
125.03562	2.0
127.04008	6.5
127.05128	3.3
128.03531	46.8
131.56284	1.0
134.03726	3.2
135.04590	1.4
135.05592	5.0
137.07207	1.8
141.06682	3.7
143.04619	61.8
145.06125	2.6
146.04572	4.6
149.06084	1.5
153.06674	4.9
160.00743	15.9
163.89284	1.0
166.09845	3.8
167.04626	6.3
167.08244	3.3
168.61272	1.0
177.03410	7.0
178.02713	1.7
179.04602	11.2
180.07631	1.1
181.06197	2.0
185.05721	2.2
191.05608	7.9
192.05966	2.5
192.07764	1.7
193.05072	6.9
197.05696	2.1
210.08810	11.4
242.07846	1.2
254.07771	17.2
272.06018	1.8
272.08856	26.0
288.06631	12.6
306.07639	100.0
307.07791	3.5
348.44882	1.0
350.16125	2.7
355.02295	1.1
386.11679	2.9
436.19498	6.1
468.14517	6.3
468.22208	11.2
468.28107	1.9
469.22617	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	468.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98828	100.0
69.40228	0.8
78.95940	0.2
80.47158	0.2
87.00913	0.2
87.96687	0.2
97.02969	0.3
128.82629	0.2
137.47623	0.2
141.34496	0.2
147.34605	0.2
191.05606	0.4
214.41762	0.2
227.10844	0.7
242.00444	0.2
308.45319	0.2
416.33923	0.3
469.11853	0.4
481.49481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42344	0.6
59.01387	1.7
61.98830	100.0
69.26460	2.5
78.91898	0.6
80.91702	2.3
82.95409	7.4
85.02988	0.7
93.03466	0.7
95.52720	0.6
113.02437	0.9
161.02516	1.5
171.78654	0.8
191.10789	0.8
192.11099	0.8
205.98741	0.6
225.09258	1.5
229.17288	0.7
243.10251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.0
61.98830	100.0
63.82791	0.4
69.36075	2.1
71.01389	0.8
79.32332	0.3
83.48434	0.3
89.02455	0.5
93.03461	0.8
98.21920	0.8
101.02464	0.9
111.04539	0.5
113.02416	0.6
119.03568	0.6
133.02931	0.4
135.04520	0.4
139.22627	0.4
148.05319	0.4
151.03999	1.0
152.04753	1.1
153.05490	0.4
161.02457	1.8
173.04616	1.1
189.09236	0.7
191.05798	0.5
243.10246	2.9
243.42372	0.4
278.50879	0.4
283.71158	0.4
287.12930	1.1
288.13205	2.5
307.15433	0.5
405.15784	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	468.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24931	1.8
55.01869	3.0
57.03444	13.2
59.01379	12.2
61.98829	100.0
64.58932	1.8
69.24284	8.7
71.01367	4.3
73.02952	2.9
74.58895	1.5
75.13498	1.6
76.03821	1.4
85.02934	4.5
87.00862	6.2
88.13441	1.6
93.03439	1.6
96.96020	13.8
99.44009	1.6
102.85978	1.8
104.66635	1.6
112.01645	4.8
113.02457	5.3
114.05573	1.9
115.04011	2.5
117.84814	1.5
121.02942	3.9
123.04550	2.2
127.04032	11.8
138.52605	1.5
139.03960	1.6
168.10280	1.9
191.05605	9.2
192.05904	3.8
218.99738	1.7
248.12752	1.8
268.03320	1.7
302.17554	2.0
334.16800	2.1
345.98697	2.8
347.02603	1.9
350.16061	3.3
352.21637	1.9
364.17691	3.7
371.09836	4.2
390.19159	2.0
400.17450	12.8
406.22327	6.2
408.23679	4.4
409.04504	7.5
418.18732	12.9
436.19650	18.8
450.21259	14.2
451.21561	2.4
468.15781	4.2
468.22351	70.8
468.28088	3.3
469.22427	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	468.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67482	1.8
57.03440	14.8
59.01381	13.5
61.98829	100.0
65.35149	1.8
69.37907	5.6
71.01398	4.4
73.02940	4.2
75.00804	1.9
83.05022	2.0
85.02950	6.0
87.00867	6.5
89.02502	2.6
96.96015	14.9
101.02406	2.6
105.36236	1.7
111.04549	2.5
112.01653	5.5
113.02453	5.0
115.04017	4.6
115.92091	2.3
121.02960	4.5
127.04014	13.6
128.04401	2.3
148.07761	2.1
153.05589	2.4
175.19170	1.9
186.11349	3.0
191.05621	11.5
192.06000	4.1
222.99287	2.4
224.06235	2.6
237.11372	2.2
240.25566	2.0
246.99171	3.0
248.12759	2.4
249.06042	2.7
289.39996	1.8
302.17587	2.3
314.89676	1.7
345.98914	2.1
350.15906	3.0
364.17688	5.0
371.09714	4.3
400.17654	11.4
406.22186	5.2
408.23935	4.0
409.04810	9.0
418.18677	18.2
424.23193	2.0
436.19727	18.4
450.21378	18.7
457.04123	2.0
468.15640	4.2
468.22333	74.1
468.28082	4.0
469.22629	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	468.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32449	0.4
55.08828	0.4
59.01377	6.4
60.01723	0.8
61.01799	0.9
61.98827	100.0
71.01383	2.2
71.05690	0.6
85.02940	0.6
89.02461	1.6
101.02446	1.4
101.75131	0.4
110.80837	0.4
113.02457	0.9
119.03525	0.6
149.09698	0.6
158.73470	0.4
161.04539	0.5
165.00508	0.4
165.01997	0.4
167.10851	1.1
168.11107	0.7
173.04604	0.6
191.05673	0.9
408.22363	1.2
409.16989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01374	3.1
61.98826	100.0
68.38526	0.2
70.68674	0.4
71.01366	1.3
73.02951	0.4
78.91888	0.9
85.02953	0.5
87.00887	0.3
89.02421	1.4
93.03461	0.4
94.22064	0.3
96.96019	0.4
101.02460	0.9
107.92979	0.3
113.02478	0.9
114.05609	0.3
119.03495	0.6
121.02978	0.8
135.04517	0.5
143.03563	0.3
149.02411	1.9
161.02486	0.4
161.04555	0.6
173.04590	0.6
179.03493	0.5
179.05672	0.7
184.97777	0.3
191.05727	0.7
192.05928	0.3
202.98705	0.4
224.55273	0.3
298.06119	0.4
311.46375	0.3
354.10995	0.4
355.09079	0.3
364.10916	0.3
408.13690	0.3
408.22736	0.7
409.17343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.2
60.01711	1.2
61.01804	0.8
61.98827	100.0
71.01374	2.0
72.01729	0.4
73.45422	0.3
78.42778	0.2
83.01408	0.3
85.02954	0.3
89.02438	2.5
90.02822	0.4
96.96039	0.8
97.77792	0.2
101.02458	1.0
113.02506	0.7
119.03515	0.9
149.09709	0.3
153.09328	0.4
161.04640	0.4
165.01956	0.7
167.10782	0.5
168.11140	0.5
169.11363	0.4
173.04489	0.4
179.05655	0.7
180.04326	0.4
180.05872	0.5
181.06207	0.3
191.05588	0.5
192.05891	0.4
195.06696	0.8
225.07782	0.3
280.99692	0.4
407.22937	0.5
408.22980	3.3
468.16406	0.3
468.22806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
60.01682	0.6
61.98829	100.0
69.35329	0.6
70.52037	1.4
71.01380	1.5
76.70202	0.6
82.57327	0.6
82.60317	0.6
85.02953	0.7
89.02455	1.3
96.96005	1.1
97.02974	1.1
98.21906	0.7
101.02452	1.1
113.02479	0.9
137.02431	1.3
139.04033	3.7
140.04333	0.9
160.84218	2.2
191.05595	2.0
197.04636	1.0
203.61162	0.6
214.75453	0.7
245.08191	1.9
246.08487	2.9
307.08218	0.9
345.96875	1.3
355.12579	1.1
408.13257	0.7
490.68179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30920	0.8
55.01864	3.9
57.03448	22.9
59.01357	3.7
61.98828	10.7
64.64227	0.7
67.01869	1.5
69.03426	1.5
69.24065	3.3
71.01357	1.9
71.05023	1.3
73.02923	1.8
75.40061	0.9
77.83954	0.9
83.05049	1.0
84.02126	1.2
85.02942	8.2
87.00868	5.6
87.70538	0.7
89.02473	1.0
93.03448	5.9
94.03750	1.7
95.05007	1.0
96.04556	1.0
97.02909	0.9
101.02473	1.2
111.04480	1.1
112.01667	14.7
113.02443	9.5
114.57801	0.8
116.92822	1.3
117.94606	0.9
121.06546	0.8
123.04516	2.5
123.08128	1.9
125.02444	1.7
127.04006	20.5
138.75850	0.8
139.00369	1.5
139.03999	5.1
144.00626	2.8
150.09247	1.2
151.03938	1.2
151.49742	0.8
153.09164	1.1
161.09740	1.3
163.07603	2.4
165.05554	1.9
167.03484	1.9
173.04514	6.7
174.04861	3.7
177.09151	3.9
178.09535	1.2
187.07619	1.3
188.07983	1.9
191.05586	19.8
191.10661	1.0
192.05931	10.1
193.05077	2.5
193.08771	1.2
200.10928	1.0
206.11855	2.4
207.10263	3.2
209.08142	1.7
209.11772	0.9
216.10342	1.1
231.10258	1.8
232.10579	1.9
236.12947	2.1
249.11243	1.3
250.11646	2.0
251.09280	6.1
256.62912	0.8
257.08191	1.0
258.08548	1.4
267.12195	0.9
275.09253	2.3
276.09546	4.8
291.36618	0.9
304.15359	1.1
320.15073	1.5
332.14957	1.0
332.41513	1.0
340.17691	2.1
348.14410	1.2
350.16077	12.9
351.16223	1.1
364.17575	10.0
374.19571	3.8
390.19250	4.3
392.20914	1.1
408.20157	2.2
418.18698	1.1
436.19724	60.3
437.20065	4.1
450.14859	2.8
450.21106	15.4
468.16098	7.6
468.22314	100.0
469.22693	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	468.2234
Annotation	Acetyllasiocarpine N-oxide
Peak:m/z	Relative Intensity
52.95002	0.8
55.01860	4.0
57.03167	1.4
57.03444	26.4
57.29369	0.8
59.01366	2.4
61.98826	6.3
69.03426	1.1
70.49837	1.6
71.01369	2.0
71.05016	2.1
71.64970	0.8
72.70820	0.6
73.02953	1.7
77.61777	0.7
85.02943	6.7
87.00843	5.9
87.04501	1.8
93.03455	0.8
95.05005	1.5
96.04552	1.6
96.96009	9.3
97.02908	0.9
98.21984	0.9
107.05029	0.8
109.02923	0.9
109.64948	0.6
111.01889	0.7
112.01666	11.6
113.02449	13.6
114.93439	0.8
118.58149	0.6
121.02953	4.0
121.06570	1.6
122.03708	1.1
123.04485	2.0
123.08157	3.7
124.01627	2.0
125.02472	3.9
127.04005	20.0
134.03679	0.8
135.04512	2.8
135.08145	1.2
137.06093	1.0
139.00365	2.2
139.03989	6.5
140.01080	1.2
144.00648	3.2
149.06064	1.6
150.03185	3.3
151.03931	1.4
152.04761	1.3
153.05533	1.2
153.09178	3.5
155.93889	1.3
161.09686	1.6
163.07645	2.3
164.04768	0.9
165.05548	3.4
167.03461	2.0
175.99858	0.7
177.09177	1.5
183.93350	1.0
191.05637	3.2
191.07126	0.7
192.05984	1.3
193.05045	1.8
194.99684	1.0
197.04597	0.7
201.56255	0.7
206.11803	1.1
207.10257	2.1
209.08101	1.5
209.11852	1.0
216.10307	1.3
218.59511	0.7
224.10623	0.7
236.12808	1.3
241.61356	0.7
246.99211	1.6
249.06114	1.1
250.81931	0.7
251.09232	2.7
253.10606	1.7
262.10806	1.9
267.12463	1.0
279.12344	1.8
286.14423	0.9
301.63293	0.8
302.14102	1.0
304.15564	1.3
320.14920	2.5
332.15198	1.1
340.17688	1.2
345.98666	1.8
347.02872	1.7
348.14401	3.1
348.18103	0.9
350.16046	20.8
351.16302	1.2
364.17603	10.8
371.09814	2.7
374.19751	4.2
390.19223	3.3
408.20151	2.6
409.04498	5.5
436.19724	82.3
437.20084	5.3
450.21307	8.8
468.22348	100.0
469.22610	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	468.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69064	1.9
55.01858	5.9
57.03448	1.9
59.01369	3.6
61.98815	3.9
65.56445	1.9
67.01884	4.0
70.96166	2.0
73.02930	8.3
77.58342	2.0
83.24548	1.8
85.02939	17.7
87.04539	2.0
95.05008	1.9
96.96007	4.2
97.02950	3.1
98.03724	3.9
98.74226	1.7
99.04549	2.6
99.79025	1.8
100.93362	8.8
101.93382	4.3
111.00903	3.9
115.00347	2.2
115.04001	2.3
115.92081	14.2
116.92075	8.0
116.92841	6.9
117.92796	2.0
122.09751	2.2
127.00280	3.1
134.03719	6.5
135.04460	2.8
137.02449	2.6
139.04016	4.7
140.04332	2.2
143.03505	12.7
143.04440	2.0
149.06026	2.1
178.02771	2.4
179.03366	4.2
179.06952	1.7
189.23561	2.1
191.05544	4.9
193.05055	5.2
194.05373	2.4
195.06575	2.2
210.97026	2.0
211.97044	3.0
228.98087	5.5
229.98123	7.6
236.12999	2.2
244.17085	3.8
245.55573	2.0
246.08459	2.3
262.18152	16.1
262.95877	4.3
270.10602	2.7
295.42700	1.9
306.17068	25.1
316.87546	2.2
321.09839	2.7
322.10312	2.3
324.18140	100.0
325.18353	4.4
340.28036	2.5
378.19223	19.7
388.01834	3.4
406.02930	2.1
414.19525	2.0
438.01895	5.3
468.15649	2.1
468.22388	16.7
469.13242	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	468.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	24.2
59.01361	2.0
61.98825	7.9
66.03475	1.5
67.61272	0.8
69.03441	1.4
71.01385	0.9
73.91465	0.8
83.05018	3.3
85.02950	3.2
87.00875	12.4
94.02973	2.0
95.05004	0.8
96.04545	1.5
97.02978	1.1
97.06596	2.1
99.92577	1.8
100.93355	9.2
101.93365	4.0
111.04542	1.2
113.02456	1.1
115.03990	1.3
115.92085	7.8
116.92083	3.2
116.92857	4.5
117.92886	2.8
120.08150	1.0
122.06123	3.3
123.04487	0.8
124.07643	1.1
127.04017	1.2
134.03679	1.0
135.75275	0.9
141.05527	1.5
142.94427	0.9
150.09224	1.3
156.04243	0.8
160.01651	3.0
161.01996	1.5
168.10268	2.1
175.03964	5.2
176.04305	2.2
182.08206	1.8
190.12363	1.1
193.05040	2.9
210.97006	1.8
211.97192	2.0
228.98152	4.5
229.98245	4.5
248.12842	8.8
258.18634	5.5
262.95953	1.5
264.15976	2.3
269.72937	0.8
279.66309	0.9
296.15009	1.6
302.17645	11.0
304.96628	1.1
310.16534	1.8
321.09796	2.1
322.10138	2.4
336.17981	1.8
346.69849	0.9
352.17548	3.7
380.20383	1.0
388.21320	2.0
391.00842	1.1
406.03101	3.1
406.22327	5.0
408.23654	1.1
436.20230	0.9
438.01987	2.3
450.21332	33.6
451.21719	2.4
468.22379	100.0
469.22736	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	469.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99336	4.1
55.98072	4.2
59.01380	40.1
61.98821	6.7
69.42555	19.3
71.01379	39.7
73.02945	4.7
79.15546	4.0
82.95436	9.1
85.02930	4.9
89.02448	47.2
96.95988	4.2
97.02959	5.4
99.00871	8.4
101.02448	8.6
102.72104	3.9
105.04639	4.2
113.02501	4.1
115.04014	5.7
116.92805	4.7
125.02453	26.2
126.90408	19.0
127.00137	5.7
128.51167	3.8
131.03523	6.6
135.04538	6.4
149.04504	7.7
167.42422	3.9
191.05589	8.0
233.06654	18.0
293.08813	94.2
342.45795	4.4
433.13483	100.0
469.11096	70.3
490.67554	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33324	0.3
59.01373	0.8
61.98821	1.1
69.03448	0.9
69.47582	0.6
71.01376	0.7
73.02966	0.4
85.02930	0.6
93.03455	0.5
94.89146	0.3
96.96000	0.5
101.02450	0.5
107.28175	0.3
108.02178	0.6
113.02438	2.7
121.02943	1.0
127.03977	0.7
128.03519	0.6
130.08678	0.3
133.02945	0.9
134.03729	51.0
135.04056	1.1
137.01459	0.5
137.02435	3.4
137.05992	0.3
139.03993	1.5
139.05034	0.3
149.06068	14.1
150.03123	0.4
152.01167	0.8
165.05612	1.0
167.03464	0.9
178.02699	24.4
179.03137	0.8
181.92789	0.3
191.05644	0.9
193.05037	100.0
194.05370	3.1
221.08183	0.6
277.53778	0.4
355.10294	2.6
358.20081	0.4
416.20416	0.5
434.21695	5.2
437.20114	0.6
469.21936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01377	12.1
61.98830	9.8
65.03941	1.0
67.01884	2.0
69.03461	4.5
69.25668	1.3
69.26011	5.7
70.29043	0.9
71.01372	5.7
73.02932	2.6
81.03440	2.5
82.95396	1.2
83.01372	1.5
83.05019	2.3
85.02957	7.5
87.00867	6.1
89.02441	1.3
93.03460	17.5
94.03793	3.3
96.95985	1.3
99.00918	0.9
99.92580	2.3
100.93336	3.0
101.02433	3.2
106.04264	1.0
109.02946	4.4
111.00896	6.2
111.04527	8.0
113.02455	7.9
115.92057	4.1
116.92075	1.9
116.92856	23.4
119.05012	2.4
121.02956	2.1
123.04530	1.1
127.04008	1.4
133.02905	1.7
134.03743	52.6
135.03993	4.6
136.01668	1.4
136.04214	1.1
137.02440	9.4
139.04012	2.2
149.06070	13.5
151.03947	1.4
155.03505	7.2
157.01427	4.8
161.04538	1.9
163.03952	1.9
173.04559	17.4
174.04883	6.0
175.05048	6.3
178.02707	29.7
179.03291	1.0
191.05597	8.2
192.06003	4.2
193.05035	100.0
194.05377	2.8
205.08627	1.8
235.04193	1.3
276.09564	1.0
293.10172	2.7
294.10577	3.2
295.10797	5.3
307.11563	1.0
355.10349	9.9
365.03320	1.1
383.03842	1.0
407.13516	1.3
451.15265	2.6
455.02869	1.0
469.05093	2.3
469.15195	11.6
469.22806	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.9
59.01377	23.2
61.98828	57.3
62.35905	1.6
65.03953	3.0
67.01862	2.1
67.52361	1.7
67.76039	1.6
69.03445	3.2
69.60090	2.9
69.60479	4.2
71.01371	11.5
73.02954	6.5
80.86176	2.0
83.01391	3.6
83.05026	4.2
85.02955	6.4
87.00867	15.9
89.02446	4.1
93.03464	6.5
95.05008	3.8
97.02955	8.6
98.22646	2.8
99.04530	2.1
101.02425	8.1
108.02177	32.0
109.02943	2.5
111.00883	21.3
111.04514	13.8
112.01627	1.9
113.02457	10.6
113.06070	20.5
117.07064	1.8
119.03402	1.9
123.04549	16.8
125.02388	2.3
137.02464	4.2
137.06078	7.2
139.03999	4.1
152.01154	66.9
155.03514	25.0
155.07103	2.8
157.01373	4.1
157.03842	1.6
157.05046	7.5
161.05933	1.9
167.03496	100.0
168.03812	2.3
173.04547	2.0
173.09668	1.5
181.05084	7.2
185.09708	2.6
191.05641	3.9
199.02496	2.5
199.06093	3.4
203.10725	2.9
221.08374	1.8
223.06087	2.4
243.10231	3.8
247.09940	2.3
301.09299	20.1
372.18164	2.4
434.21774	17.5
469.13440	20.7
469.21948	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	469.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
57.03450	2.9
59.01083	1.5
59.01377	26.0
60.89723	0.9
61.98830	7.3
68.08080	0.9
68.85625	0.9
69.03445	1.8
71.01378	35.7
73.02940	15.0
74.57169	0.8
75.00882	1.0
83.01385	7.9
85.02945	19.5
87.00878	2.3
89.02448	10.2
93.03437	1.1
95.01387	3.1
96.96039	1.9
99.00876	4.8
101.02435	38.0
111.00922	0.9
113.02446	25.6
119.03519	2.7
125.02442	2.1
129.01952	1.1
131.03520	1.4
135.04526	4.3
135.53374	0.9
137.02463	1.9
139.52612	0.9
143.03473	2.0
145.05093	1.2
148.96060	0.8
149.04584	1.4
159.03033	2.5
161.02502	2.1
161.04544	19.4
165.01942	2.6
179.03500	7.3
179.05629	1.5
180.04257	1.3
191.05710	1.3
193.07164	30.3
194.07501	1.2
195.06738	2.1
197.04456	1.3
212.55241	1.1
307.08093	4.1
342.98889	1.5
355.12424	100.0
356.12683	4.7
368.91916	0.9
409.16788	1.3
469.14026	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	469.1634
Annotation	FR177391
Peak:m/z	Relative Intensity
59.01385	21.9
61.98827	63.0
75.19459	8.2
78.90977	9.6
79.59267	8.2
97.27670	9.8
98.21880	18.8
127.42309	8.7
136.27011	9.5
143.95932	8.0
161.02420	11.0
173.04497	11.8
210.99866	10.1
315.12427	8.5
418.18735	11.3
419.19144	15.5
469.16238	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	469.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61329	10.8
59.01361	14.1
61.98835	76.6
67.13702	12.3
69.30035	63.5
81.31961	14.5
84.34235	11.3
93.03483	21.7
101.85187	12.6
106.03638	12.1
126.97031	12.5
140.20369	13.1
163.29539	12.9
247.61066	12.2
250.08894	14.2
271.13446	100.0
387.11780	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
59.01382	4.9
61.98820	0.7
67.01875	0.4
69.14513	0.8
69.14931	1.4
71.01370	1.4
71.06547	0.3
78.09224	0.3
85.02948	4.1
87.00899	0.6
93.03461	1.6
94.03772	0.5
101.02441	2.0
101.06080	0.4
103.04006	18.9
112.01688	0.6
113.02468	0.7
121.02930	2.1
122.03734	11.7
122.04620	0.6
124.01671	0.9
127.04005	2.0
136.01665	3.1
137.02361	0.4
139.00336	0.4
139.04031	0.3
159.02972	0.3
159.08142	5.4
162.06793	0.4
173.04585	0.6
176.08463	0.4
177.09201	48.3
178.09479	1.1
203.07213	0.3
203.10754	2.4
219.10181	0.4
221.08177	100.0
222.08533	2.8
247.09563	0.4
262.14435	1.8
270.84735	0.4
307.11865	64.3
308.12155	3.2
321.19199	0.5
383.13467	7.0
390.18817	0.4
451.15173	0.7
469.17075	19.3
470.17435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
57.03440	3.5
59.01075	4.6
59.01376	87.7
61.98827	40.0
66.85000	1.9
69.05283	2.0
69.39228	2.3
69.39515	9.7
70.62242	1.8
71.01379	76.8
73.02941	22.4
79.50454	2.1
83.01387	9.2
85.02948	27.7
86.84944	1.8
87.00877	11.3
89.02444	56.3
93.03449	3.5
95.01414	3.5
96.04589	2.5
96.96041	4.2
97.02966	3.6
98.22606	3.7
99.00890	6.6
99.04512	2.0
99.92590	2.6
101.02441	70.9
111.04506	3.0
113.02444	35.0
116.92901	9.5
119.03494	25.2
120.35178	2.1
121.02939	7.1
125.02480	4.4
131.03467	3.9
133.02975	5.0
135.04520	17.7
143.03557	9.8
149.02402	13.6
149.04483	2.1
159.03000	5.4
161.02461	19.7
161.04541	36.3
167.03458	2.9
179.03499	21.4
179.05612	55.8
180.04260	2.5
191.05661	3.1
194.54733	2.1
195.06616	7.2
221.06584	12.3
247.11839	5.6
275.05276	2.2
296.39255	2.3
307.08197	13.3
341.08636	2.6
388.19595	6.2
409.17123	100.0
410.17337	6.9
433.13193	2.7
469.13251	18.6
469.18912	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	469.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98821	0.5
69.90028	0.4
69.99684	1.2
73.34306	0.4
75.06369	0.4
78.93736	0.4
81.03415	0.5
91.70270	0.4
93.03470	0.9
98.22579	0.7
100.43877	0.5
107.05022	1.8
107.29376	0.5
112.95999	0.5
119.05046	0.5
125.87340	0.7
126.88123	0.5
135.04518	4.6
136.05305	1.0
137.06073	1.2
139.11288	0.5
147.04514	0.5
160.84209	8.9
161.06117	0.5
175.04008	8.9
176.04756	1.3
177.05554	0.4
185.34306	0.4
187.07680	1.1
189.05562	8.7
190.06343	6.0
190.39832	0.5
197.09665	1.0
203.03494	2.3
204.04269	2.5
205.05054	1.7
211.07584	0.9
213.09123	1.1
223.07608	0.5
225.09190	1.6
225.74596	0.5
226.09966	2.3
227.10677	3.4
236.03044	0.8
241.08716	3.9
243.10040	0.8
266.09448	7.8
267.10138	1.3
269.07043	2.3
281.11813	100.0
282.12106	4.9
297.11282	1.6
319.16577	0.6
363.15894	1.3
398.09637	0.8
425.21365	0.9
434.07260	3.0
451.18457	0.6
469.20169	24.0
470.20520	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	469.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66771	1.1
59.01353	1.5
61.06662	1.1
70.07049	2.8
74.02467	1.6
76.11755	1.3
89.47344	1.3
107.05016	3.1
133.06590	1.9
135.04518	2.5
137.06033	1.2
147.08142	20.5
162.03214	3.9
163.07607	1.4
175.03998	6.6
176.04773	22.1
177.05498	3.8
189.05524	3.7
190.06363	8.4
191.07132	22.9
203.07152	1.6
213.09262	2.0
220.66051	1.2
226.09906	3.2
227.10608	1.5
241.08630	3.3
251.10823	1.7
253.12354	24.4
254.12567	1.6
266.71432	1.2
279.10162	3.5
281.11935	2.0
282.09024	9.4
297.11316	100.0
298.11630	5.3
319.16440	1.5
363.15942	2.5
399.47311	1.2
409.18735	1.7
416.57651	1.5
423.24936	1.7
425.21094	2.4
435.24915	1.8
451.18863	2.4
469.20398	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	469.2018
Annotation	2,6-Bis(4-hydroxybenzyl-5,3'-dimethoxy-3-hydroxybibenzyl
Peak:m/z	Relative Intensity
61.98817	0.3
65.04277	0.2
69.75626	0.8
71.04982	0.3
71.66370	0.2
81.03477	1.1
82.95408	0.5
83.95737	0.2
87.00878	0.3
91.05522	0.3
93.03459	1.7
95.05026	0.2
97.06606	0.3
98.21897	0.3
104.71199	0.2
106.04228	0.7
107.05026	8.0
119.05046	0.6
121.27883	0.2
122.03739	0.6
123.04528	0.9
133.06534	0.4
135.04518	18.5
135.40556	0.2
136.05324	4.0
137.06065	4.3
139.77370	0.2
141.07057	0.4
145.06596	0.3
147.08110	0.5
148.05243	0.5
149.06131	1.1
160.84196	0.8
162.03220	0.2
165.70390	0.3
171.08121	0.5
173.06055	0.7
174.01704	0.6
174.06833	0.3
175.03998	2.9
176.04752	4.4
177.05530	2.1
179.08661	0.8
181.10246	0.8
182.07324	0.4
185.06151	0.4
187.07629	0.7
191.07164	0.7
197.09663	2.4
201.05417	0.3
205.69302	0.2
211.07507	0.2
212.08418	0.3
213.05591	0.2
213.09161	2.0
215.07224	0.6
215.10664	0.3
216.07875	0.3
223.07613	1.4
225.05728	0.3
225.09193	7.5
226.09982	11.6
227.10762	4.6
237.09145	0.3
239.10796	0.9
241.08687	5.6
242.05728	0.4
243.10248	1.0
253.12111	0.2
254.09509	0.4
256.07385	1.5
257.08151	2.2
258.08533	0.6
263.14307	0.7
264.07919	0.8
265.08664	0.8
265.12363	0.6
266.09439	1.5
267.10229	6.4
271.09903	0.3
272.10367	0.4
275.17996	0.3
281.08154	0.8
281.11853	1.2
282.08957	1.7
283.09735	0.8
289.12222	0.6
291.07098	0.2
291.10223	1.4
291.13284	0.3
297.11322	0.6
303.13895	0.3
306.08902	0.4
307.13361	3.5
319.16959	2.5
321.14844	0.4
330.12653	0.4
331.13239	0.4
335.16547	0.6
345.14795	1.8
347.12976	0.7
348.13409	0.5
363.12476	0.4
363.16022	9.8
364.16415	0.6
397.14200	0.4
413.17493	0.3
425.21091	0.6
434.07214	0.3
441.20889	0.4
451.19019	0.8
469.20160	100.0
470.20490	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.76099	0.4
61.98837	0.7
69.45283	1.9
77.18799	0.4
81.22170	0.5
108.23672	0.5
121.98029	0.5
158.04675	0.7
160.73943	0.5
184.27368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.23340	0.3
81.31598	0.4
83.00343	0.4
89.91974	0.4
96.96022	1.1
98.22701	0.8
116.92905	0.5
128.03505	0.4
147.95038	0.4
193.04994	0.4
202.77074	0.4
208.33055	0.4
254.35352	0.5
293.11429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11613	0.3
61.98829	100.0
69.09495	1.3
77.99584	0.3
78.95909	2.2
96.95909	0.2
99.92574	0.4
110.98557	0.6
113.84151	0.3
152.99614	0.5
167.01175	2.3
171.40973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74020	0.2
53.67186	0.2
56.23775	0.2
59.01377	0.6
59.83411	0.2
71.01382	0.4
71.13618	0.2
71.42081	0.2
82.02978	0.4
84.04533	0.2
89.02444	1.0
101.02457	0.3
109.86322	0.2
113.02371	0.2
113.05970	0.2
119.03490	0.2
128.03535	100.0
129.03865	1.3
137.62704	0.2
167.42885	0.2
179.05556	0.4
199.21730	0.2
290.03574	0.2
341.10880	2.1
344.52386	0.2
365.09192	0.2
470.15186	0.5
487.27582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67230	4.1
54.52463	4.1
57.03446	6.8
59.01379	31.2
61.98830	100.0
65.53754	4.3
71.01374	19.6
72.95282	3.9
73.02942	9.9
83.04979	5.3
85.02936	7.8
87.00867	20.2
89.02430	15.7
93.03419	6.6
96.04552	7.6
97.74682	4.4
101.02473	8.7
113.02432	12.9
121.02982	5.2
123.04469	12.3
151.03973	14.5
151.91185	4.2
156.89989	4.2
161.04535	4.6
167.03416	5.1
169.08675	7.6
176.78075	4.3
177.01933	15.6
179.03363	4.8
179.05548	6.3
191.05551	9.1
200.09229	10.2
219.41876	4.8
246.03970	5.6
356.13031	5.9
388.19580	20.3
392.16800	21.1
410.17407	6.2
420.16647	40.8
471.10889	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	470.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03430	1.4
59.01352	0.9
61.98823	1.1
73.02925	1.5
85.02943	1.0
91.28534	0.5
97.02917	0.8
98.03698	0.9
98.21888	1.9
109.02934	0.6
109.06600	0.9
112.01620	2.4
113.02451	5.0
115.03988	1.0
121.06615	0.8
122.09760	0.9
123.04505	0.5
124.01707	0.6
125.02430	1.6
127.03977	2.6
136.77216	0.5
138.03206	2.6
139.00407	1.3
139.04007	7.1
147.08171	0.9
148.07640	0.8
149.06050	0.5
150.03214	1.0
150.06950	0.7
151.03989	0.6
166.08748	1.1
167.03523	1.3
167.07085	0.8
191.05598	0.9
193.05008	0.9
216.14044	0.7
221.14034	0.5
235.76321	0.5
242.15483	2.8
258.14883	0.6
258.18567	0.8
260.16595	0.8
272.16489	0.6
296.20148	0.9
302.17557	4.7
314.21228	1.3
318.16907	1.0
320.15363	0.6
340.19006	2.5
358.20224	5.6
372.21884	1.0
390.22845	1.6
401.18533	0.8
402.19113	2.4
415.88629	0.6
416.20706	4.7
434.21793	100.0
435.22269	7.1
470.30331	1.0
472.20490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03432	1.3
61.98840	1.4
66.03513	0.8
67.99973	0.7
73.02931	1.5
75.46638	0.7
109.06579	1.2
109.72829	0.7
112.01662	1.1
113.02467	3.5
115.03970	1.5
121.06589	0.9
122.09742	1.6
127.04025	1.5
138.03244	1.8
139.00392	1.5
139.04024	5.5
148.07639	1.2
150.06847	1.2
165.09218	0.8
166.08752	0.8
167.03528	0.7
221.02472	0.8
242.15533	2.3
260.16446	1.1
284.16461	0.8
294.52237	0.8
296.19958	0.9
302.14139	1.1
302.17560	8.3
304.90796	0.9
314.21173	2.0
340.19153	2.1
358.20187	9.3
372.21567	0.9
390.22913	2.5
402.19226	2.0
416.20724	3.3
434.21832	100.0
435.22244	5.2
470.23892	1.8
470.29947	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	470.1963
Annotation	Dabigatran
Peak:m/z	Relative Intensity
58.99587	6.8
59.01379	100.0
61.98810	5.0
63.92534	1.4
71.01380	17.0
71.43616	2.3
73.02944	5.8
83.05044	1.9
85.02953	3.3
85.30936	1.5
87.00897	1.9
89.02457	6.0
93.03449	3.9
96.04565	4.5
96.99937	2.0
97.06602	1.7
101.02451	11.5
102.00217	2.8
107.03850	1.5
110.06159	2.3
111.04496	1.9
113.02471	7.8
119.03516	1.6
122.06131	22.5
128.01755	1.8
130.08739	88.3
133.02995	1.5
134.03783	2.4
135.04570	1.7
136.04893	1.4
139.03975	3.4
139.07660	5.4
140.03511	7.5
140.07169	2.1
147.66566	1.4
154.03345	5.0
155.08247	10.8
156.04810	1.7
161.04512	8.9
161.13388	6.0
165.06696	3.1
168.09007	8.2
173.04576	4.5
174.04863	1.7
175.05057	3.8
178.02634	1.8
181.09860	7.1
185.09718	2.5
185.13478	3.7
185.15118	1.4
187.11279	24.5
191.05670	2.2
198.05927	2.4
199.18124	9.6
203.14449	5.1
205.12317	19.9
210.02263	1.6
225.16141	5.5
229.12256	13.2
243.17163	5.5
247.13431	6.3
249.11172	2.9
259.13391	3.3
261.12329	2.1
265.14465	2.1
269.14984	2.0
295.11304	1.8
309.13379	9.3
351.14633	3.0
357.15622	5.6
381.15796	2.1
392.22003	3.4
411.16626	11.0
426.20746	19.4
452.18387	1.9
466.90103	1.8
470.19720	80.3
471.19623	10.2
471.26105	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	470.2398
Annotation	Glucolanomycin
Peak:m/z	Relative Intensity
55.34468	0.7
56.22859	0.7
57.03449	3.0
58.03759	0.7
59.01361	1.4
61.98826	12.1
66.03496	0.7
67.01899	0.7
68.05032	0.9
69.03448	1.4
71.01391	0.7
71.05006	1.2
73.02937	5.2
80.05067	0.8
82.95394	1.1
83.05026	1.7
85.02959	1.4
85.06590	5.0
87.00887	1.4
96.95982	0.6
97.02932	1.8
97.06600	1.6
99.92642	0.8
101.93394	1.3
103.00358	0.7
107.28754	0.6
111.04512	4.4
111.08187	0.8
113.02438	1.6
115.04008	7.4
115.92078	0.7
116.92847	0.7
118.88473	0.6
120.08164	1.1
121.06519	0.9
121.18074	0.6
122.09753	1.6
123.04489	0.7
123.08085	0.8
124.07701	0.9
128.03522	1.1
129.05591	2.8
137.06064	2.1
148.07652	1.1
151.07588	1.2
166.08752	3.2
168.10246	3.3
170.11867	0.7
173.04605	1.0
176.14395	1.0
186.11366	3.1
188.64578	0.7
191.05606	0.9
194.11913	0.8
202.12267	0.8
208.13454	1.6
220.13419	4.5
223.54243	0.6
236.13060	0.8
238.14487	3.9
239.55780	0.7
261.67773	0.7
274.18216	1.5
282.17044	0.8
292.19135	3.0
294.17172	1.9
294.20856	0.8
304.18533	1.0
312.17807	0.9
318.17111	5.8
328.22763	1.0
336.18173	13.6
337.18033	0.8
338.19812	0.9
346.23840	1.2
354.19083	4.6
372.21829	2.2
375.99295	0.6
390.22516	3.0
408.23831	3.0
434.21780	9.6
440.02338	1.0
452.22824	41.2
453.23383	3.3
470.23856	100.0
471.24106	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	470.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13620	100.0
116.74208	15.9
161.10553	17.4
272.34808	18.0
299.90207	16.1
335.33084	41.1
380.65417	19.4
397.32974	37.8
460.59274	18.1
471.36743	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03110	0.4
57.03437	0.5
59.01344	0.9
61.98829	5.5
68.99811	0.4
69.28757	0.7
69.29156	1.7
71.01393	1.3
72.99301	1.0
84.93867	1.1
85.02954	1.1
87.00864	0.5
93.03452	0.6
96.96009	3.3
98.95583	3.6
99.00867	0.9
99.92581	13.8
100.92673	0.9
100.93356	12.3
101.93359	0.5
104.22398	0.4
111.00896	0.5
115.92076	12.5
116.92856	100.0
117.92866	2.6
121.02949	8.0
124.93357	1.0
125.02443	1.4
126.94939	1.1
127.00373	1.2
128.03528	1.1
129.10266	0.4
130.08742	0.6
133.01476	0.4
141.93639	0.4
142.94421	1.7
154.94426	0.7
155.47925	0.4
156.92390	0.4
156.95897	0.6
166.94405	0.6
169.93138	0.7
170.93912	6.1
173.66203	0.4
184.95395	2.0
191.05569	4.7
204.95996	1.3
212.94981	1.1
236.94919	1.9
240.94374	0.5
249.06024	0.5
256.93909	2.3
258.95566	0.5
273.94110	1.0
278.99753	1.0
348.98666	1.2
371.09860	1.2
373.10464	0.8
409.02283	1.5
411.05145	0.9
438.20346	0.7
453.01205	3.1
471.02399	14.5
471.09964	0.7
471.28082	0.9
472.02646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02101	0.3
53.49684	0.4
59.01376	3.2
61.98826	1.7
63.34670	0.4
71.01383	2.4
72.20294	0.4
72.99291	1.3
73.02951	1.5
78.95962	0.4
82.95428	1.5
84.93866	1.6
85.02946	1.4
87.00871	1.1
89.02444	1.2
93.03476	0.8
96.96017	3.0
98.95598	3.0
98.96386	0.5
99.00880	0.8
99.92584	14.9
100.92665	1.0
100.93350	11.9
101.02448	0.6
108.02217	0.5
109.02980	0.4
111.00900	0.4
113.02441	1.7
115.04005	0.7
115.92076	15.7
116.92858	100.0
117.92879	3.1
118.98094	1.0
121.02957	7.3
123.04561	0.8
126.94933	0.7
127.00371	1.4
128.03554	0.6
137.13831	0.4
138.94936	0.5
139.03987	1.1
139.07664	0.5
141.93616	0.5
142.94421	1.7
154.94395	0.8
156.96005	0.7
166.94359	0.9
167.95203	0.5
169.93095	0.5
170.93906	7.5
172.95499	0.6
177.09175	0.4
184.95425	2.3
191.05635	1.9
191.07091	0.4
194.94023	0.4
198.93507	0.4
204.95953	0.8
207.40025	0.5
212.94949	0.8
236.94954	1.8
256.93958	1.6
258.95544	0.6
273.94177	1.1
278.99545	1.1
302.17450	1.0
333.00867	0.4
348.98868	0.9
358.20383	0.9
367.13907	0.7
409.02228	1.5
411.04996	1.3
434.21835	9.2
435.00574	0.5
435.22134	5.3
452.22629	1.2
453.01385	3.2
470.24161	1.9
470.29630	0.7
471.02316	14.8
471.14548	1.6
471.24042	0.9
472.02570	1.6
499.39594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98845	4.2
63.97862	3.1
67.55052	3.6
68.01412	14.9
69.41266	14.4
71.01384	14.0
73.02940	4.8
74.41975	3.6
79.64529	3.8
85.02934	4.8
93.03447	9.0
100.31297	3.6
101.02454	4.1
110.02475	11.3
113.02444	9.3
161.04570	8.2
167.76382	3.9
179.03539	4.0
203.05591	10.1
223.06325	7.3
227.07129	17.3
230.06668	25.5
239.07077	18.3
271.09689	8.3
281.08160	6.6
310.29498	3.6
327.06491	4.2
471.25662	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	471.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45544	9.4
58.73329	11.4
59.01382	100.0
68.01387	17.6
69.19135	64.6
71.44956	9.8
90.50802	10.5
93.03445	15.7
101.02440	14.8
110.02444	12.7
194.41302	12.8
207.39017	10.8
227.07130	17.7
230.06686	21.0
239.07127	46.8
250.08766	21.5
434.21365	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	471.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98815	13.8
69.03458	5.1
69.32097	16.7
71.01392	37.2
72.02913	3.3
73.02937	7.4
81.03471	5.4
83.01399	5.9
85.02959	9.4
87.00856	5.2
89.02443	35.4
93.03458	12.5
96.96003	4.2
97.02944	6.7
97.06600	4.2
98.02474	4.3
99.00865	5.3
101.02448	13.8
103.01479	7.9
108.02257	3.4
108.57437	2.9
109.02953	3.4
113.02454	9.4
113.06081	6.0
115.04007	4.5
115.92091	4.0
116.92862	14.0
117.92883	8.3
118.92633	7.1
119.03500	7.1
119.11506	3.0
121.02953	10.4
123.04533	3.9
125.02461	16.1
129.53729	2.8
130.08755	5.6
131.03450	5.0
134.03740	11.7
134.06148	3.8
135.04591	16.2
137.02434	9.2
139.04004	25.3
149.04636	3.6
149.06061	3.1
153.01964	5.4
161.04567	7.0
167.03473	4.1
167.26627	3.1
173.04498	6.8
177.09219	6.9
178.02750	3.6
180.03168	5.1
191.05617	10.3
193.05037	21.9
194.05383	5.9
195.05565	4.8
201.04021	14.7
233.06500	8.7
241.08678	10.9
243.06541	6.6
258.08923	13.6
261.36273	3.5
273.11282	50.3
293.08826	16.7
357.15344	5.5
421.15048	7.4
435.16443	4.0
471.14426	26.7
472.15292	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	471.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62318	2.8
51.85372	3.0
58.67930	3.5
58.96951	3.3
59.01378	100.0
60.36224	4.2
61.62877	3.4
61.98823	7.7
70.14941	7.0
70.15263	3.5
71.01370	14.0
73.02939	10.4
83.01414	3.6
85.02953	10.7
88.98801	3.9
89.02444	5.3
93.03468	6.0
96.71763	4.0
99.00875	6.8
101.02451	9.3
107.05058	16.5
108.08182	34.7
113.02440	12.6
113.06093	6.3
126.19072	3.2
133.02963	4.0
134.03683	4.8
135.04544	6.6
139.04025	17.6
152.07158	29.9
161.04387	3.7
166.08783	5.2
173.04559	5.8
187.11217	7.1
191.05540	6.9
196.06139	32.9
200.00862	10.9
201.04037	5.8
205.12279	18.0
249.11221	10.5
273.11282	8.8
309.13516	5.0
351.14468	4.7
358.11441	21.4
374.06055	17.4
427.26590	6.9
442.25732	4.0
471.13724	8.0
471.25888	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	86.7
60.33188	2.8
61.98823	20.6
63.46064	2.7
67.01878	9.0
69.03451	31.8
69.95744	6.8
71.01377	8.1
72.99311	26.5
73.02939	6.3
82.95415	4.2
83.58412	2.8
85.02950	2.9
95.01386	4.6
96.96010	56.6
97.02951	20.3
111.00887	6.6
113.02466	5.4
116.92903	3.7
132.98195	8.9
140.98682	6.1
143.00218	4.5
145.84772	3.1
161.13348	3.9
163.86736	3.1
174.99219	8.0
182.99757	30.4
185.01274	33.6
187.11195	11.2
191.05597	4.1
194.99734	8.5
198.61838	2.8
201.04462	4.1
205.12274	13.0
210.99275	7.3
211.02997	4.3
213.00844	9.5
213.04254	4.0
226.98766	8.8
229.03925	3.3
229.12268	7.2
237.04344	7.7
238.98730	36.3
239.05963	16.8
241.07576	24.3
243.09081	35.9
247.13385	6.6
249.11134	4.1
253.07428	3.8
258.65323	3.0
273.07635	3.3
273.11319	3.2
282.97723	27.5
283.08618	25.4
285.10172	100.0
291.09201	5.2
293.10669	17.2
295.12360	17.5
299.08130	47.5
309.13654	6.5
321.10004	4.6
322.13699	3.2
323.11664	13.6
337.09744	12.6
367.10672	33.3
368.11157	3.9
411.09909	37.0
411.15948	5.9
466.78461	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	471.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09149	1.1
58.04350	1.0
59.01380	100.0
61.98829	36.2
62.83906	1.0
65.88302	1.1
69.73868	2.5
69.74261	1.9
71.01385	12.1
73.02966	2.7
75.00860	1.2
83.01401	1.0
83.05025	2.0
85.02970	3.8
87.00890	1.9
89.02454	7.7
95.05028	1.9
97.06599	1.1
98.02512	2.1
99.04510	1.8
101.01889	1.2
101.02428	6.5
107.05026	2.0
109.02949	3.1
110.70375	1.1
113.02440	3.0
119.03542	2.2
121.06687	1.1
123.04560	1.3
123.08177	1.7
125.06068	6.4
128.90236	1.2
130.08720	1.7
135.04575	2.1
136.05281	3.7
147.11783	1.7
148.08948	2.2
149.06087	15.6
151.04010	2.3
152.04787	30.7
161.04541	1.4
161.13370	9.7
164.80449	1.1
167.07133	82.1
168.07523	1.7
173.04492	1.5
173.13425	1.3
176.01062	1.1
185.13356	4.8
187.11279	31.3
190.02859	1.1
191.05637	1.9
195.06650	3.6
201.12857	1.7
203.14438	6.2
205.12320	25.5
207.10280	1.7
215.14435	1.6
219.13992	1.3
227.10849	2.6
229.12300	16.9
247.13423	7.4
249.11295	6.1
259.13480	1.9
265.14319	1.2
273.11328	29.4
277.14468	2.5
289.14633	1.4
291.12445	1.7
309.13461	11.3
328.22815	1.5
351.14606	3.1
357.11877	1.8
372.21774	2.1
381.15741	2.3
390.10397	4.7
390.22864	18.7
411.16760	11.6
435.16574	2.5
453.27097	1.6
460.66571	1.2
471.12485	2.2
471.18488	5.3
471.24896	1.3
472.23056	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	471.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71272	1.9
53.54648	2.0
59.01376	9.8
61.98825	10.4
64.43448	2.4
71.01379	5.7
73.02922	3.0
82.95415	30.2
84.95125	16.9
85.00443	4.7
85.02941	3.5
101.02427	3.0
101.78869	2.3
113.02444	3.9
116.37804	2.2
121.02956	30.1
137.02356	2.1
137.32323	2.1
161.02341	3.3
161.04541	6.6
173.04578	2.4
179.82471	1.9
191.05519	2.6
205.08609	2.5
258.08948	64.5
259.09183	2.4
273.11313	100.0
397.93695	2.7
433.24460	2.4
435.16580	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75591	0.7
57.96972	0.7
59.01378	81.0
61.98828	4.0
69.03445	2.7
70.96308	0.8
71.01381	23.8
71.04999	0.8
72.99287	0.8
73.02948	5.1
83.01395	2.1
83.05020	1.7
84.67993	0.7
85.02938	5.3
87.00875	1.5
87.04492	1.1
89.02440	28.3
95.01385	1.5
100.93337	1.5
101.02450	16.2
113.02448	15.8
116.92860	2.1
119.03503	10.8
131.03517	2.4
134.03787	1.2
135.04567	0.9
139.03993	3.3
143.03456	3.8
149.04552	1.2
149.47748	0.8
150.06860	2.4
153.09190	1.3
159.02995	0.9
161.02489	1.1
161.04573	8.3
162.03221	52.4
163.03760	1.3
165.05579	1.1
165.09193	1.2
167.03400	1.1
177.05565	100.0
178.05896	2.8
179.05600	15.2
191.05655	1.3
195.02740	2.1
195.06654	1.3
195.10287	3.4
201.04001	1.3
237.07468	1.6
249.14970	1.8
319.13861	1.1
357.11902	6.3
411.20468	1.1
421.92010	0.7
447.52991	0.8
471.14304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14392	14.2
59.01368	40.6
59.66293	14.0
61.98813	26.5
64.50776	16.4
69.07590	100.0
71.01361	16.2
73.47012	14.4
81.17487	18.1
87.65767	16.8
91.84435	14.5
127.03925	20.6
133.02950	31.7
134.03336	17.8
137.02440	17.1
161.02440	19.8
191.42941	18.5
203.34132	15.2
300.12082	19.8
314.63364	18.3
365.13956	55.6
423.16980	43.1
428.17068	47.4
471.25769	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98878	14.2
59.01375	100.0
59.68348	14.9
61.98825	18.2
71.43757	20.5
73.02936	22.7
97.88750	16.9
101.02430	23.7
111.66198	13.7
124.51426	16.0
124.65245	15.2
127.03967	21.2
130.67152	14.0
160.48308	14.4
171.10251	28.2
199.13269	15.3
321.73065	16.5
340.35721	19.4
459.67572	17.7
471.25815	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75607	0.6
59.01386	0.9
69.37333	2.0
88.01025	0.7
95.05038	1.0
98.67812	0.7
104.72211	0.6
129.07098	1.4
136.05283	14.8
137.78647	0.7
157.06580	3.2
159.81955	0.6
171.08174	2.4
183.11841	0.8
199.07648	12.6
200.08075	0.8
210.66615	0.6
227.10773	100.0
228.11131	3.2
239.10793	1.3
243.06638	1.4
275.10858	1.0
279.10095	1.0
338.14771	0.8
369.36273	0.7
399.19473	1.4
409.18103	2.9
409.26779	0.8
453.33771	2.0
471.34970	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79344	0.3
57.03466	0.4
59.01379	100.0
60.01712	0.7
61.98829	0.3
69.25256	1.7
71.01382	4.9
73.02959	1.2
79.05556	0.3
83.01391	0.7
85.02937	2.1
87.00906	0.4
89.02442	3.0
95.01389	0.4
97.02982	0.4
101.02445	3.4
105.07170	0.4
107.05019	0.5
113.02471	4.1
119.03502	1.5
120.05843	0.4
135.04538	0.3
139.07692	0.5
143.03534	0.6
154.50739	0.3
157.06589	0.3
159.08168	0.6
159.11809	0.5
161.04568	2.7
161.13353	3.3
179.05661	0.8
179.92470	0.3
185.13435	1.0
187.11266	9.6
196.53015	0.3
201.12923	0.4
203.14430	0.7
203.29799	0.3
205.12326	12.2
205.14236	0.7
206.12677	0.4
220.29514	0.3
223.13454	0.9
229.12320	3.8
241.12509	0.4
247.13406	1.9
249.11273	2.7
258.88916	0.3
259.01343	0.3
259.13437	0.7
265.14594	1.0
277.14429	0.4
290.48071	0.3
291.12460	0.8
309.13419	6.2
309.16766	0.4
357.15622	1.3
365.33133	0.3
411.16815	1.5
471.18945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
58.00581	0.9
59.01377	100.0
61.98827	8.6
69.03434	1.0
71.01380	25.0
71.01974	1.2
72.99350	0.9
73.02945	60.1
75.00873	3.8
80.96517	1.2
82.95412	2.9
83.01385	12.4
83.05026	21.3
85.02942	5.8
87.00906	1.5
88.98814	0.9
89.02433	11.7
93.03462	2.0
95.05018	1.6
101.02441	44.1
101.11597	0.9
113.02449	14.9
113.06102	5.5
115.04012	2.9
115.92076	1.0
116.92883	1.3
119.03502	5.5
121.06578	2.8
123.04504	1.1
125.02418	2.3
125.68597	0.9
129.05586	1.7
131.03505	3.9
135.04507	3.1
137.02432	2.4
138.06844	1.0
139.04010	29.3
143.03520	4.0
149.04570	6.5
149.05603	1.2
151.03958	4.8
153.09204	3.9
157.05101	3.0
159.03029	2.2
161.04553	15.1
161.09718	3.4
162.03197	1.4
165.05563	1.6
165.09241	1.3
177.05530	4.8
179.03609	1.0
179.05612	1.7
191.05644	1.8
195.02989	3.2
195.06612	1.7
195.61887	0.8
201.04041	11.9
202.92065	0.8
203.05615	1.8
205.08684	6.6
205.12268	4.7
221.06693	2.1
225.92021	1.0
321.15744	1.2
341.09027	1.1
357.11798	1.3
367.17548	1.4
471.18765	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	0.8
68.87229	0.5
69.61003	1.6
71.01381	8.6
73.02955	2.4
75.00878	0.6
79.05550	0.6
81.07133	0.5
81.94077	0.5
83.01389	1.3
83.05048	1.1
85.02953	1.4
89.02455	4.1
95.01397	0.9
95.05027	0.8
98.21910	0.6
101.02441	6.0
105.07116	0.7
107.05021	0.8
107.08758	0.8
107.25842	0.5
111.04548	0.7
113.01746	0.8
113.02419	3.8
119.03500	1.2
119.04930	0.7
120.05799	0.6
125.02429	0.5
133.06609	0.9
135.04550	0.6
139.03995	0.6
142.48787	0.5
143.03482	0.6
147.11833	2.0
148.08989	1.2
150.06850	0.6
157.06685	0.6
159.11801	0.7
160.79770	0.5
161.04576	1.8
161.13364	9.5
169.10278	0.7
172.08900	0.6
173.13376	0.6
175.11259	0.9
179.05579	0.5
185.09792	1.5
185.13351	4.8
187.11276	30.2
188.11743	1.4
201.12907	1.8
203.14395	5.8
203.15976	0.6
205.12323	24.5
215.14528	0.8
219.13902	1.6
223.13496	2.0
225.77351	0.5
229.12328	15.4
230.12831	0.6
233.15361	0.6
242.85852	0.6
247.13383	7.9
249.11316	7.0
259.13443	2.0
265.14529	2.2
267.12366	0.9
271.13516	1.1
277.14508	1.6
284.85187	0.5
287.15109	1.0
291.12466	1.3
307.15610	1.4
309.13397	11.9
309.16751	0.8
351.14633	3.2
367.17676	0.6
381.15659	1.5
411.16537	12.2
471.18661	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	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03430	1.3
59.01377	100.0
61.14787	0.8
61.98826	2.0
69.03461	1.5
69.12154	3.7
70.66703	0.8
71.01379	12.4
73.02956	2.9
79.05555	0.8
83.01403	1.6
83.05027	1.6
85.02937	4.2
87.00902	1.6
89.02441	5.9
93.03448	0.9
94.31706	0.7
95.05003	1.1
98.21813	1.4
99.00909	1.9
101.02448	8.9
104.44759	0.7
106.04195	0.9
106.06641	3.2
107.05031	1.2
107.06978	1.5
109.06568	1.1
111.04527	1.5
113.02437	7.6
113.06133	0.9
119.03504	2.6
121.05186	1.0
125.02415	1.0
133.02936	1.3
133.06648	1.2
135.04555	1.4
139.04016	2.5
139.07648	1.1
143.03564	1.5
147.11784	1.8
148.08963	1.8
150.05637	1.7
161.04507	4.6
161.09717	4.4
161.13313	6.8
173.04567	0.9
179.05606	1.5
185.09708	1.6
185.13361	4.1
187.11272	27.6
194.04575	1.1
201.12935	1.5
203.14362	6.3
205.08763	8.5
205.12312	27.0
206.12793	0.9
213.19048	0.8
215.14435	1.1
219.13974	2.5
223.13478	2.2
227.12978	2.5
229.12325	16.5
231.10287	1.2
247.09775	1.2
247.10747	0.9
247.13397	9.9
249.11307	8.2
259.13458	1.9
265.14481	1.4
277.14584	1.1
287.14987	8.8
291.12613	2.2
307.15619	1.3
309.13388	13.3
351.14487	3.0
357.10593	0.8
357.15485	2.5
374.06476	2.2
381.15741	2.7
411.16599	16.3
411.21860	1.0
412.16263	0.9
427.26685	0.9
471.18747	21.7
471.26004	2.6
472.19315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.6
57.03462	1.3
58.00559	0.9
59.01378	100.0
69.03463	8.0
69.43123	3.3
71.01380	79.0
72.99292	1.2
73.02943	13.2
75.00874	4.2
76.25712	1.0
79.01859	0.9
81.03455	4.8
83.01389	6.5
85.02943	8.7
87.00880	2.4
89.02443	91.8
90.02810	1.7
91.22791	0.9
93.03477	2.0
95.01385	1.5
97.02946	13.4
98.22704	1.6
99.00877	16.7
99.04554	1.7
101.02445	18.1
103.00407	4.6
103.01487	10.2
108.02183	1.6
111.00896	2.2
113.02461	9.1
115.04005	9.4
119.03500	2.6
119.04971	1.1
121.02953	14.6
122.03690	1.1
125.02448	47.1
127.04028	2.0
131.03494	12.5
134.03735	3.7
143.03493	5.1
149.04547	17.4
155.03479	0.9
161.04590	4.3
173.04503	1.1
176.08363	5.7
177.09212	14.8
191.05606	9.7
199.46553	1.0
219.10201	1.2
231.10059	1.1
233.06651	47.3
273.11346	2.6
293.08783	55.4
294.09097	2.5
339.14670	1.4
435.16486	1.2
471.18674	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	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49471	1.5
55.01867	2.0
59.01376	100.0
61.98826	11.5
69.03459	3.2
69.26270	2.8
69.26633	6.5
71.01379	26.1
72.99303	1.6
73.02940	62.5
75.00875	4.9
81.03468	1.6
82.95412	2.9
83.01383	12.2
83.05009	19.7
85.02962	7.0
87.00858	2.9
89.02438	10.5
93.03463	3.0
93.08984	1.4
95.05029	1.9
96.01133	1.5
99.00928	1.8
100.76524	1.3
100.93283	1.3
101.02437	45.0
102.02747	1.5
109.02971	1.9
111.04491	1.6
113.02454	16.3
113.06071	9.7
114.05624	1.6
115.04010	4.7
116.92871	2.4
119.03518	3.8
121.06567	3.2
122.06107	1.7
123.04531	2.9
125.02434	2.6
129.05615	3.6
131.03448	4.0
134.03792	1.5
135.04538	1.7
137.02429	4.6
139.04001	42.8
143.03455	3.1
149.04533	5.6
150.03175	1.4
151.03987	3.1
151.07571	1.5
153.09210	2.5
157.05013	4.7
159.03020	3.9
161.04558	17.1
165.05617	1.9
167.03448	1.8
191.05586	4.0
195.02931	3.5
195.06612	5.0
200.71362	1.2
201.04048	20.2
203.05614	1.4
205.12340	3.4
217.98555	1.4
221.06563	2.1
237.07686	8.4
297.87195	1.5
359.21487	1.5
367.17355	2.0
471.15073	7.2
471.23785	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	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
57.03460	0.3
59.01377	100.0
60.01722	0.5
61.83945	0.2
61.98846	0.3
64.80527	0.2
65.86593	0.2
69.03497	0.2
71.01378	5.2
73.02951	1.4
75.00865	0.3
79.05589	0.2
81.07085	0.2
83.01397	0.5
85.02953	1.7
87.00845	0.3
89.02441	3.3
93.03493	0.2
95.01392	0.5
95.05041	0.4
99.00872	0.3
101.02438	3.4
107.05043	0.3
109.06651	0.2
113.02442	4.0
119.03503	1.7
120.05839	0.4
125.02391	0.2
131.03575	0.3
135.04546	0.5
139.04112	0.2
139.07672	0.7
143.03546	0.4
147.11835	0.2
149.04556	0.2
150.06795	0.2
157.06715	0.3
159.03053	0.2
159.08206	0.7
159.11818	0.4
161.04552	2.9
161.13354	4.1
169.10234	0.3
172.08868	0.3
173.04671	0.2
179.05634	0.5
185.09732	0.2
185.13432	1.2
187.11279	10.5
188.11665	0.4
191.05565	0.3
195.10352	0.4
198.99098	0.2
201.12875	0.3
203.14439	0.5
205.12320	12.1
206.12750	0.5
215.14388	0.3
217.12337	0.3
219.13934	0.2
223.13461	0.6
229.12315	3.9
229.14377	0.3
241.12447	0.3
247.13356	1.9
249.11307	3.0
250.11681	0.2
259.01508	0.2
259.13510	0.5
265.14621	0.7
267.12411	0.3
271.13464	0.3
291.12643	0.4
309.13431	6.4
310.13800	0.4
351.14514	0.3
357.15457	1.0
363.14117	0.2
411.16611	1.3
463.07297	0.2
463.14316	0.2
471.19168	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.275
Annotation	Methyl lucidenate A
Peak:m/z	Relative Intensity
56.04073	1.0
61.98817	4.1
70.44505	1.6
105.03436	2.1
132.02176	8.2
133.02956	14.5
134.03749	15.5
135.04480	2.7
137.02438	3.4
148.05251	1.7
160.01657	48.8
161.02464	7.2
161.06079	2.9
175.04005	100.0
176.04314	2.5
179.03522	1.6
193.05087	7.2
233.08275	1.1
245.42169	1.1
277.21753	1.1
277.49564	1.0
287.12906	2.8
295.22739	10.9
327.15964	1.1
341.17657	1.2
371.25793	1.5
439.25214	5.0
471.27460	54.5
472.27698	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	471.3479
Annotation	Wilfolic acid C
Peak:m/z	Relative Intensity
55.36359	0.5
57.03437	1.8
59.01382	3.5
60.13608	0.4
60.99281	0.7
61.91655	0.4
61.98835	0.5
67.61411	0.5
69.03432	0.7
85.06587	5.3
86.50350	0.5
90.21807	0.5
97.06600	1.3
111.08131	0.5
114.38583	0.5
116.70273	0.5
202.70157	0.5
336.41620	0.5
372.37637	0.5
393.32007	0.6
409.30768	7.9
411.32626	8.4
412.32828	0.6
423.70776	0.5
427.35788	7.5
471.34772	100.0
472.35126	8.0
472.70251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50446	1.1
59.01377	25.6
61.98829	25.0
69.35041	5.2
71.01387	7.7
73.02911	2.7
85.02948	2.4
89.02430	2.0
93.03467	14.3
98.22578	2.4
101.02403	6.8
113.02435	6.4
118.06673	1.2
130.08745	2.8
131.03789	4.0
132.04556	11.9
134.65877	1.1
137.02434	27.4
144.04536	6.2
146.06114	100.0
147.06531	2.8
160.04036	73.1
161.04495	4.3
167.03458	3.7
190.05106	10.4
191.05621	2.2
233.97862	1.1
281.06650	54.5
282.07260	1.4
310.13675	1.7
311.08038	1.2
322.09131	2.0
325.04965	1.4
328.22665	1.9
372.22101	2.1
379.06973	1.2
390.22824	17.7
413.22021	1.3
428.13538	10.3
434.21704	3.2
472.12451	29.3
472.22723	2.2
473.12582	2.4
475.33521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.6
60.01721	0.5
61.98829	100.0
66.01290	0.5
69.38717	2.2
69.39075	0.7
71.01380	7.6
73.02939	2.9
83.01396	1.3
85.02944	3.5
87.00880	1.9
87.13586	0.4
89.02442	6.3
91.05553	1.0
93.03472	0.8
95.01397	0.9
99.00890	0.8
99.04546	1.5
101.02436	5.3
111.00922	0.5
111.04551	1.3
113.02438	3.1
119.03526	2.8
133.43845	0.5
134.01620	0.5
137.01645	0.5
155.03568	0.7
161.02481	1.4
161.04597	2.0
173.04550	0.5
175.11200	0.5
179.05688	1.2
185.09822	1.7
203.10789	3.5
210.39615	0.5
227.29718	0.5
229.08736	1.4
261.88913	0.5
275.12967	1.0
305.83630	0.6
365.16125	4.2
384.17755	0.5
390.22931	3.3
409.15033	24.7
410.15417	1.8
472.17050	0.7
472.23254	1.0
473.16025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23847	0.8
59.01377	55.0
71.01382	30.5
71.07815	0.9
73.02925	1.0
83.01372	1.1
85.02938	3.7
87.00861	1.0
88.20058	0.7
89.02441	49.2
93.52980	0.7
95.01382	1.8
97.35303	0.7
101.02449	16.6
113.02443	16.2
119.03499	17.0
130.05066	0.8
130.08739	44.1
131.03484	2.5
131.04620	0.8
143.03481	3.9
161.04501	4.6
179.05597	20.4
231.81488	0.8
300.43268	0.9
341.10864	100.0
342.11127	3.0
459.91058	0.8
472.20502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17417	3.8
58.99610	3.3
59.01377	100.0
60.01703	5.3
61.98822	18.2
64.14587	3.8
71.01376	16.8
73.02940	44.7
75.00885	6.3
76.17332	4.0
78.21431	3.9
82.95447	4.7
83.01430	6.6
83.05035	13.0
85.02942	4.3
89.02454	10.1
101.02432	25.4
112.42735	4.4
113.02432	11.8
119.03560	6.5
139.04109	5.0
149.04451	6.0
161.04585	9.9
191.05663	6.7
201.04008	5.8
211.57152	4.9
244.03568	4.0
456.25253	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	472.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05494	4.5
56.75313	5.0
59.01379	100.0
61.98824	40.6
69.25715	10.7
69.26115	15.5
71.01366	25.3
73.02942	14.9
82.95411	8.0
85.02953	23.1
87.00861	16.2
87.78395	4.9
88.04054	7.2
88.98834	8.4
89.02451	15.3
98.21889	10.5
101.02422	17.3
109.02927	8.7
113.02438	16.2
116.92782	6.2
119.03516	6.6
122.06099	10.6
133.95914	4.4
138.03235	6.3
139.04015	10.5
140.04388	5.8
149.06023	7.6
155.08316	6.2
161.04572	5.5
162.03165	7.2
166.99779	6.1
167.03513	6.2
177.05598	16.7
178.05081	5.4
179.05559	4.6
182.02165	11.6
191.05623	13.8
193.04982	7.5
196.06148	9.3
197.04590	31.4
204.84021	5.1
208.75917	5.0
221.04564	22.1
287.78595	5.1
311.07785	29.7
351.89020	5.4
358.11761	9.6
359.09842	7.8
383.09906	7.2
412.19208	7.2
472.13678	10.1
472.27792	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	472.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	93.2
61.98830	100.0
68.79249	7.3
69.47298	28.2
71.01370	16.2
75.10253	7.3
80.05784	8.2
85.02975	10.7
87.61916	7.8
89.02419	18.1
101.02457	17.1
113.02473	13.1
116.92858	14.8
117.92873	14.8
139.03990	16.8
146.30891	8.3
152.18422	7.5
158.42062	8.2
229.64021	8.9
241.01050	8.3
280.96576	7.9
292.72113	8.8
396.36047	10.5
426.43954	10.4
434.21677	48.2
445.68253	10.6
472.18765	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	472.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93032	31.8
60.18411	32.9
61.98832	50.5
66.45098	35.8
69.29489	100.0
69.29900	71.4
78.95888	75.0
102.34785	30.2
152.99603	88.8
158.84178	36.8
177.09317	38.0
210.95618	31.7
278.09811	35.4
305.24414	41.5
407.35388	41.7
410.53040	42.6
446.98947	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	472.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06946	24.2
55.44008	21.3
69.28926	100.0
85.12344	21.4
96.84837	21.0
131.64113	22.7
146.90182	23.6
152.99568	21.9
164.31088	23.2
205.37465	20.7
252.72986	29.7
330.21744	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	472.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88148	53.9
61.98822	100.0
68.80708	50.7
72.33323	49.4
78.95894	65.3
177.63362	54.3
199.89166	53.5
219.93471	57.6
367.21863	65.5
420.25626	52.3
443.32721	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	0.5
59.01376	1.4
61.77543	0.5
69.03452	1.5
71.01368	2.0
71.05078	0.8
85.02977	0.7
95.01386	2.0
97.43901	0.5
101.02430	1.0
109.02972	0.8
113.02461	6.0
123.00888	20.9
126.99315	0.5
131.03496	0.5
135.04559	0.6
138.03227	20.3
138.04303	1.1
146.87570	0.5
153.04433	0.8
153.05565	9.0
161.04546	0.9
166.98428	1.0
166.99846	17.1
177.05528	0.7
182.02209	48.3
183.02504	0.9
197.04546	100.0
198.04834	2.6
213.03200	0.5
217.34195	0.5
359.09805	12.9
437.85464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66790	0.3
59.01379	2.0
61.98806	0.4
65.08556	0.4
69.03466	2.1
69.51701	1.5
71.01379	2.2
73.02953	0.5
80.50716	0.4
80.85435	0.4
84.95078	0.4
85.02933	0.7
87.00871	0.4
89.02430	0.5
95.01383	1.7
101.02402	0.6
102.34113	0.4
109.02961	2.2
113.02447	6.5
123.00881	18.3
134.03728	0.5
135.04521	39.8
136.04799	1.0
137.02437	0.7
138.03226	19.1
142.44846	0.4
151.04057	0.4
153.05553	9.0
161.04547	1.7
166.99850	13.9
177.05580	0.8
182.02205	46.4
183.02528	1.2
197.04538	100.0
198.04829	2.1
202.67712	0.4
206.99471	0.4
219.49648	0.4
239.05612	0.5
277.80887	0.4
297.09802	11.6
311.07596	0.5
359.09790	15.8
360.10052	0.6
463.52206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1485
Annotation	tryptoquialanone
Peak:m/z	Relative Intensity
50.71342	0.4
56.00699	0.4
57.60325	0.5
59.01368	2.8
61.98817	1.3
69.30121	1.4
71.01385	2.4
73.02943	0.8
74.99088	2.4
79.43851	0.3
85.02939	0.9
87.00878	0.9
89.02436	1.3
93.03448	0.4
101.02434	1.5
102.98600	0.9
113.02430	1.4
120.99648	100.0
121.99999	1.1
125.30013	0.4
128.03522	0.5
161.04518	1.7
179.05573	0.4
191.05688	0.6
204.16071	0.4
221.06606	0.5
222.41315	0.4
223.07938	3.9
251.57137	0.5
274.71606	0.4
311.09616	2.2
348.56668	0.4
437.23856	0.7
455.13962	0.5
473.14816	81.5
474.15262	5.2
495.19516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33936	0.9
59.01376	9.3
61.98820	2.5
63.96237	29.0
65.25578	1.0
71.01364	2.1
72.99306	21.6
73.02935	1.8
73.97957	1.1
73.98319	7.5
74.99097	13.7
85.02969	1.2
87.00867	3.8
87.47322	1.0
88.98788	1.3
89.02444	2.4
91.99387	1.6
101.02435	2.6
117.97313	22.2
120.99625	1.8
122.06100	1.0
124.00740	1.3
135.04527	1.3
135.98360	100.0
136.99191	4.5
149.06073	21.2
179.03598	1.2
191.05550	2.0
207.06554	1.8
225.08998	1.0
299.17462	1.3
311.11337	3.4
311.89233	1.0
359.20511	1.0
429.17383	1.9
434.21808	1.7
435.21976	7.7
437.22342	1.0
473.14780	38.7
473.21573	1.9
474.14572	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	473.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33936	0.9
59.01376	9.3
61.98820	2.5
63.96237	29.0
65.25578	1.0
71.01364	2.1
72.99306	21.6
73.02935	1.8
73.97957	1.1
73.98319	7.5
74.99097	13.7
85.02969	1.2
87.00867	3.8
87.47322	1.0
88.98788	1.3
89.02444	2.4
91.99387	1.6
101.02435	2.6
117.97313	22.2
120.99625	1.8
122.06100	1.0
124.00740	1.3
135.04527	1.3
135.98360	100.0
136.99191	4.5
149.06073	21.2
179.03598	1.2
191.05550	2.0
207.06554	1.8
225.08998	1.0
299.17462	1.3
311.11337	3.4
311.89233	1.0
359.20511	1.0
429.17383	1.9
434.21808	1.7
435.21976	7.7
437.22342	1.0
473.14780	38.7
473.21573	1.9
474.14572	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	473.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91405	0.1
54.85455	0.2
55.71237	0.1
59.01376	1.8
61.98822	0.6
70.02904	0.2
71.01383	1.0
72.97638	0.2
72.99296	0.2
73.02935	0.3
73.04049	0.3
74.02433	0.2
82.02868	0.2
84.95133	0.3
85.02970	0.4
87.00883	0.4
87.05653	0.3
89.02432	0.5
89.53091	0.2
93.03427	0.3
97.04121	0.2
101.02460	0.6
102.98607	0.3
113.02497	0.4
114.01971	0.2
120.99657	100.0
121.99979	0.8
127.27188	0.2
128.03548	3.5
129.06686	0.3
130.08748	0.3
134.03754	0.7
143.04440	0.2
144.07837	0.3
149.06073	0.5
166.08798	0.2
169.09752	0.2
191.05626	0.4
225.05228	0.2
283.04892	0.4
356.39371	0.2
359.13354	0.4
359.17383	0.3
393.76920	0.2
435.22168	0.7
443.21335	0.5
472.28494	0.4
473.15262	1.2
473.22620	1.3
474.20633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00139	0.3
59.01371	0.8
59.36175	0.3
69.03480	0.6
69.75957	0.5
69.76324	0.7
71.01387	0.5
79.24904	0.3
85.98631	0.4
87.00924	0.8
87.04511	46.8
88.04852	0.6
89.02417	0.4
98.22596	0.7
113.02435	4.7
115.03995	0.8
126.49238	0.3
131.03502	100.0
132.03864	1.2
135.04517	1.0
137.02527	0.4
137.95326	0.3
148.69225	0.3
159.02966	1.4
179.05635	0.4
182.02170	0.4
197.04584	1.2
240.03412	0.4
359.09830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74955	1.8
59.01378	100.0
61.98827	50.4
69.08470	14.8
71.01376	44.4
72.04424	2.2
72.99280	2.5
73.02947	13.9
80.91649	2.0
83.01377	3.4
85.02958	11.0
87.00872	9.0
89.02441	72.5
89.03004	3.5
93.03430	1.9
97.86517	1.8
99.92580	6.4
101.02435	27.6
113.02454	24.4
116.51996	2.1
119.03504	29.9
120.99641	3.3
121.73487	2.2
125.06077	4.8
131.03525	4.5
135.04539	2.9
142.89214	2.2
143.03488	6.4
149.06065	4.7
152.04747	12.6
161.04523	10.7
164.04816	4.1
167.07115	41.1
173.04553	4.3
174.06895	3.6
179.05609	60.2
179.07149	4.0
187.11278	3.1
189.09227	7.1
205.12315	8.7
257.12192	2.7
273.11435	11.4
275.18576	3.5
281.71307	2.1
329.23026	4.9
331.13879	7.3
336.09018	6.6
373.21930	5.0
385.13199	6.3
390.22714	10.8
391.23154	43.9
437.17923	5.7
439.76147	2.4
473.14841	32.4
473.22784	8.0
473.29034	3.3
474.15875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01380	61.7
61.98820	10.1
71.01379	16.2
72.84416	1.3
73.02941	2.2
75.01321	1.3
77.95118	1.4
80.93815	1.5
85.02950	3.0
87.00877	2.5
89.02451	16.8
93.03438	3.6
99.92514	1.9
101.02450	7.5
107.05085	1.5
113.02462	6.1
119.03493	6.2
119.04988	1.6
121.42649	1.4
123.04461	1.8
125.06061	3.9
133.02954	3.8
135.04529	14.0
136.05299	14.2
137.02419	1.9
137.06046	2.1
141.37456	1.6
142.64746	1.5
151.03993	4.3
151.06532	2.3
151.07661	30.0
152.04741	2.4
153.05585	1.8
161.02440	9.1
161.04488	2.3
162.02803	2.4
164.04706	1.7
170.73108	1.6
173.04507	3.4
179.05612	3.4
191.05583	2.2
223.06084	2.2
225.09167	9.1
242.09479	45.1
253.08661	12.1
254.09523	16.1
257.11835	100.0
258.12234	3.4
268.10995	21.0
269.11819	14.6
273.11328	1.4
275.13065	2.3
310.61264	2.0
314.10016	2.3
335.07794	2.7
411.16693	2.0
431.17093	18.3
437.18137	77.4
438.18488	4.9
473.15524	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	473.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03251	0.4
58.02963	1.4
59.01375	1.6
69.03461	0.8
69.32213	1.3
69.32620	1.2
70.02978	6.1
71.01378	1.7
71.02516	2.6
72.00903	2.7
87.00859	2.3
89.02454	2.1
95.02493	5.3
103.79346	0.4
111.01992	1.2
113.02470	2.3
113.03572	31.9
114.01965	26.7
119.03499	0.7
130.08682	0.5
130.94418	0.5
131.04617	100.0
132.03027	1.0
132.04964	0.9
171.21338	0.4
179.05696	0.9
205.07108	0.4
275.31363	0.5
309.57739	0.5
341.10776	2.8
342.11139	1.6
365.88904	0.5
385.47363	0.4
412.61969	0.5
431.39273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09645	0.7
55.01880	3.6
57.03436	2.7
59.01375	39.0
61.98830	3.9
69.03447	14.4
71.01376	44.4
73.02946	17.8
74.58934	0.7
75.00867	1.4
83.01389	7.6
83.08684	0.8
84.73124	0.8
85.02946	19.9
87.00867	2.7
89.02441	4.7
93.03429	1.3
95.01394	3.3
96.00883	1.0
97.02990	1.0
98.00093	1.2
98.21877	2.1
99.00869	6.1
101.02433	36.1
109.02975	0.8
109.42325	0.8
113.02440	100.0
114.02785	1.8
114.58105	0.8
115.82745	0.8
119.03465	1.2
125.02426	2.4
129.01944	1.6
130.08774	0.9
134.38185	0.7
143.03529	2.6
146.06117	1.4
152.58582	0.8
159.02986	6.6
161.04544	39.0
164.04808	5.3
179.05762	1.3
179.07118	6.9
179.10655	0.9
191.05597	2.3
205.03377	0.9
209.04448	1.1
249.06056	1.3
359.13443	24.8
413.21634	1.7
473.15863	1.3
473.27390	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70142	22.1
59.01361	100.0
69.68850	53.7
69.69204	46.7
99.54102	21.0
127.03989	82.3
136.52000	21.2
146.04581	24.5
151.60733	20.6
209.49608	23.5
302.13895	74.5
416.79819	25.8
473.27573	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69827	11.3
59.01373	33.2
61.94597	10.6
69.40601	35.7
69.41009	18.0
70.16269	10.3
112.01623	11.6
127.04004	100.0
136.48564	10.3
140.29465	9.6
141.85306	9.8
160.28433	10.3
162.42043	9.9
219.16655	12.2
269.34915	11.3
302.14032	65.1
350.02280	11.1
358.69122	11.7
430.18549	26.7
473.27759	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01079	1.6
59.01380	100.0
61.98812	4.1
69.44335	6.2
69.85268	1.6
71.01367	4.2
73.02953	5.1
85.02943	2.3
87.00881	2.2
89.02465	4.4
93.03439	2.3
95.53461	1.7
101.02428	5.1
113.02462	5.4
117.49203	1.7
126.34411	1.8
128.19984	1.8
135.04498	1.9
139.04013	10.1
164.51341	1.9
173.04576	2.4
191.05667	4.2
231.80992	1.8
299.38507	2.2
317.78351	1.8
336.48715	2.1
355.11484	2.0
366.77600	1.9
473.28088	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	473.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.9
61.98827	10.5
62.27237	4.9
69.32996	24.1
71.01373	13.2
85.02937	5.8
85.11369	5.6
88.43365	6.7
89.02481	11.6
112.01703	6.8
121.02909	6.1
127.03992	21.3
132.15691	5.2
192.64856	5.6
194.86279	7.1
302.14017	10.1
311.22208	41.5
415.17703	9.4
430.18689	8.1
444.34058	5.7
473.12360	6.1
473.27551	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03444	0.6
58.00583	0.2
59.01379	100.0
60.01719	0.5
61.98826	1.3
69.03462	2.0
71.01382	11.3
71.57168	0.2
72.99317	0.4
73.02946	5.3
75.00860	0.4
83.01378	1.5
83.05061	0.2
85.02953	3.6
85.06619	0.2
87.00892	0.5
89.02441	8.0
93.03475	0.5
95.01389	0.6
97.02983	0.3
99.00847	1.0
99.04535	0.4
101.02444	8.8
103.01510	0.5
113.02448	12.4
118.13115	0.2
119.03495	3.2
121.02961	0.2
125.02487	0.4
127.56620	0.2
131.03522	0.7
134.58618	0.2
135.98337	0.4
143.03505	1.2
149.04544	0.6
159.03032	0.6
161.04559	7.9
173.04579	0.4
179.05611	1.4
179.10747	0.3
191.05688	0.8
299.37021	0.2
303.92456	0.3
324.51791	0.2
359.17102	17.2
360.17477	1.3
413.22031	0.7
428.81699	0.2
473.20370	1.5
473.27747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01378	100.0
60.01714	1.2
60.22018	0.9
61.98837	6.1
69.03457	2.0
69.21386	5.8
71.01382	19.5
71.55856	0.9
72.99322	1.8
73.02944	33.2
75.00852	1.0
82.95432	1.7
83.01389	6.3
83.05056	0.9
84.95135	2.6
85.02940	6.7
87.00868	2.3
88.98815	1.1
89.02446	13.6
90.20090	1.1
91.45618	1.0
95.01396	2.2
97.02943	1.4
99.92595	1.3
101.02441	21.3
109.02948	1.6
113.02463	13.1
116.92843	1.9
119.03521	6.7
123.00877	4.3
125.02464	1.8
131.03514	2.2
135.04555	2.0
136.60001	1.2
137.02435	3.3
138.03230	7.8
139.03998	1.8
143.03462	2.8
149.04553	2.8
149.06076	5.2
153.01866	1.2
153.05579	3.9
161.04558	8.8
166.99854	3.0
173.04572	1.2
179.05612	3.6
182.02191	13.5
184.44151	1.0
191.05614	4.9
197.04549	29.8
217.33250	0.9
221.04582	1.8
221.06613	2.4
225.71266	1.0
269.10239	3.2
311.07706	1.2
311.11285	1.4
356.99918	1.1
359.09937	4.2
409.04123	1.3
413.15060	1.1
413.21573	1.7
431.15561	3.2
473.17484	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	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03452	1.1
59.01378	100.0
61.98820	1.6
69.03462	3.6
69.40556	2.5
69.40932	0.9
71.01379	22.2
73.02943	8.6
73.03358	0.5
83.01362	2.4
85.02956	7.3
85.18752	0.5
87.00885	1.2
88.98824	0.7
89.02442	14.6
95.01379	1.3
97.02940	1.1
99.00905	1.7
101.02442	16.5
103.01469	0.7
113.02447	24.4
119.03496	7.3
119.48040	0.6
120.37908	0.5
125.02470	2.0
131.03514	0.9
133.06612	1.1
143.03548	1.4
159.03047	1.6
161.04558	14.0
161.05847	0.9
173.04610	0.8
176.05479	0.5
179.05667	2.7
179.10866	0.7
191.05690	1.7
233.06731	1.1
255.39323	0.5
293.08786	3.0
359.17075	34.4
360.13525	0.5
360.17749	1.6
405.34030	0.6
413.22150	1.1
473.20651	3.0
473.27689	1.0
486.77707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72770	0.4
54.75938	0.3
59.01378	100.0
59.06349	0.3
60.01721	0.5
60.71687	0.3
61.47575	0.3
61.98827	7.6
67.32674	0.3
71.01380	2.9
73.02960	1.0
83.01415	0.5
85.02967	1.2
87.00871	0.3
88.98796	0.6
89.02474	1.2
89.50436	0.4
93.03490	0.5
97.02968	0.3
101.02443	2.4
109.49569	0.3
113.02473	1.3
119.03518	0.4
140.24263	0.3
143.03557	0.5
161.02519	1.0
161.04599	1.1
168.82352	0.4
194.09512	1.3
209.11774	1.5
209.15495	0.5
224.50298	0.4
251.16640	1.3
273.11511	0.6
295.06943	0.4
353.16013	0.4
353.19937	1.2
371.16632	0.6
371.20670	3.4
410.15628	0.6
413.21918	2.0
437.18185	0.4
473.15173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	2.7
61.98820	1.4
69.40796	5.4
75.00848	1.9
78.06347	1.1
87.89460	1.1
114.67684	1.2
116.97234	1.5
196.03535	1.1
203.37701	1.2
228.90462	1.3
279.26932	59.3
280.27277	1.5
295.26376	7.2
313.21417	3.3
315.22958	3.0
316.02585	1.3
323.25928	24.7
341.26956	48.6
342.27170	1.4
347.22198	1.4
363.25131	67.3
364.25473	3.8
374.85522	1.3
399.21475	3.3
415.30652	30.7
428.00311	1.3
473.26474	100.0
474.26917	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	473.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24557	0.2
57.03455	0.4
59.01377	100.0
60.01722	1.6
60.01980	0.3
61.01805	0.7
61.98829	0.7
71.01391	1.6
73.02946	2.9
83.01369	0.5
85.02951	0.5
89.02450	0.6
91.07959	0.3
97.06599	0.5
99.04511	4.0
101.02434	1.4
113.02445	1.0
113.09731	0.7
123.08155	1.0
125.02448	4.5
153.09195	0.8
155.10730	0.3
167.10777	0.7
173.11858	0.3
187.13419	1.1
216.13589	0.7
278.46130	0.3
293.21234	0.8
311.22086	0.3
422.83493	0.3
429.28574	3.1
449.17712	0.3
473.27557	18.2
474.22437	0.5
474.28177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
61.54807	1.4
61.71829	1.4
61.98823	7.1
65.56991	1.5
69.94871	2.6
69.95206	3.5
70.04782	1.5
71.01380	23.1
80.21711	1.5
85.02889	1.9
86.27887	1.4
87.00881	6.1
87.04018	2.8
87.04506	28.7
88.04051	7.6
88.04841	4.0
89.02462	2.7
96.03581	1.3
96.96011	2.5
99.24397	1.4
101.02441	2.5
109.02943	3.8
113.02422	3.4
114.01962	24.5
115.00372	31.7
123.00887	6.9
131.02519	3.5
131.03500	65.6
132.03807	9.9
135.04504	4.9
136.04955	2.0
138.03239	22.6
149.05983	2.4
153.05580	21.8
153.55367	1.5
166.01443	22.2
177.05528	6.7
178.05872	4.9
179.05511	1.9
180.06628	3.0
181.03777	36.6
182.02197	6.8
189.05537	9.5
190.05995	9.2
191.05795	3.6
194.04559	9.7
196.06129	32.0
197.04567	38.6
206.08250	3.3
207.06839	1.7
208.06453	1.6
209.06857	5.9
221.04568	2.6
222.05037	1.5
222.07654	2.9
224.09232	1.6
235.04768	2.2
250.07207	16.8
266.70068	1.7
268.08246	29.3
292.08264	3.0
309.00919	1.5
311.07587	4.9
312.07852	10.6
359.09833	16.0
360.09796	1.8
389.81775	1.6
430.13803	1.9
438.21439	2.8
474.12515	100.0
475.05930	1.6
475.13013	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	474.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68668	0.7
59.01381	10.9
59.66859	0.7
61.67369	0.6
61.98829	100.0
70.02959	0.7
71.01387	6.6
84.95116	0.8
85.02979	2.0
89.02433	9.0
89.19014	0.7
96.96024	0.8
101.02451	5.5
109.02948	1.3
110.03268	0.9
113.02461	3.5
113.03159	0.6
119.03471	3.8
131.03535	0.8
135.04552	5.4
135.05582	0.8
135.06624	4.3
136.04877	3.0
136.93939	0.9
138.03188	0.8
139.01584	0.6
142.84055	0.6
143.03473	1.1
161.04613	1.6
177.05594	2.2
178.05952	1.1
179.05602	1.9
182.02158	1.1
197.04634	2.0
205.02893	3.8
221.04593	1.2
222.04987	1.6
232.17119	2.8
233.24757	0.6
250.18146	4.6
252.02908	5.4
276.16153	0.8
276.38599	0.7
285.62338	0.6
294.17102	38.0
295.17426	1.3
297.11902	48.3
298.12161	1.4
304.12424	2.2
305.13181	0.7
311.07770	1.1
312.08182	1.9
320.89700	0.7
332.11752	0.8
346.13373	3.3
350.12918	1.9
360.09973	0.9
363.92136	0.8
374.12939	2.2
392.13876	11.8
393.14478	0.8
407.89728	0.7
411.15280	3.3
414.11798	1.5
473.68924	0.7
474.13950	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	474.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02251	5.1
59.01380	97.3
59.05200	4.7
61.98825	15.0
69.14952	33.0
73.02931	18.1
98.22716	10.5
101.02406	9.8
106.81834	5.6
113.02466	5.3
139.03951	11.9
167.06319	22.8
171.10429	6.8
189.58409	6.0
191.05644	5.7
211.05280	9.6
212.08559	7.0
225.06876	13.6
227.10707	18.4
252.44366	5.9
253.06445	10.8
255.06557	26.1
271.09744	100.0
432.80078	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	474.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45755	1.8
54.87556	1.6
59.01380	24.3
61.98822	30.9
69.40549	4.8
71.01381	6.6
71.19980	1.5
83.45828	1.8
85.02955	1.8
87.00855	1.9
89.02432	8.2
90.75081	1.5
101.02431	3.5
108.07721	1.5
111.84244	1.7
113.02399	2.1
119.03510	1.8
135.04494	2.1
146.13243	1.6
151.03963	2.2
161.02444	4.5
179.05609	1.6
225.09212	39.9
226.09518	2.8
242.09448	3.0
243.09816	1.9
253.06328	1.6
253.08676	66.2
254.09480	14.8
255.09827	5.6
257.11761	6.6
258.12152	12.5
268.11017	100.0
269.11746	12.8
270.12253	4.2
271.13422	4.2
411.16650	8.9
431.17078	87.4
432.17267	4.5
437.18204	3.0
438.18488	9.4
458.79636	1.6
471.88400	1.7
474.15936	3.7
475.15143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23760	0.3
55.01873	0.3
59.01381	2.2
61.98819	0.4
69.16142	1.3
81.43696	0.2
91.55573	0.3
95.05033	0.3
98.22611	0.6
136.05295	9.3
171.08139	0.6
183.11757	1.0
184.94557	0.3
227.10770	100.0
228.11105	3.8
231.16359	0.3
254.09396	0.3
269.11499	0.4
323.49542	0.3
431.17209	1.6
474.21136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98812	0.9
65.68214	0.3
67.96413	0.4
69.38434	1.2
79.69570	0.4
81.65112	0.3
84.55215	0.4
106.91649	0.4
125.87291	1.1
134.48207	0.5
157.10574	0.4
210.10388	0.7
220.29112	0.4
225.09181	0.7
226.10017	0.6
239.06949	0.4
253.08607	2.9
254.09470	48.3
255.09846	3.3
256.07245	0.5
269.11823	100.0
270.12173	7.0
271.09741	0.8
328.44919	0.4
394.01639	0.5
403.76633	0.5
431.16965	0.5
443.02478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Epothilone C5
Peak:m/z	Relative Intensity
52.05560	0.5
55.01873	2.3
57.03437	1.6
59.01378	100.0
60.01715	6.0
61.01812	0.6
61.98827	3.3
69.50292	1.1
69.50673	1.3
70.83706	0.5
71.01378	23.6
72.99318	0.6
73.02943	6.2
83.01383	3.7
85.02950	10.8
87.00884	1.8
89.02438	15.1
93.03437	0.6
95.01389	2.4
97.06605	0.8
99.00863	4.0
99.04523	2.0
101.02443	19.1
101.03101	1.3
109.06584	1.0
111.04521	12.8
111.08159	0.6
113.02452	10.8
114.09200	0.6
114.37472	0.5
115.07649	18.3
116.92850	3.6
117.92885	2.4
119.03498	4.9
119.04968	0.5
125.02399	2.9
126.02737	0.8
131.03511	0.9
132.53691	0.5
143.03496	1.3
152.10762	1.7
156.10298	2.9
158.11842	7.1
158.93925	0.7
159.03012	1.1
159.94006	0.8
161.04544	2.8
171.10226	0.9
173.04555	0.7
179.05530	0.7
191.05562	1.8
196.09753	1.3
197.08330	0.7
197.99078	0.9
198.99953	2.8
243.22896	0.5
320.17007	3.4
358.14758	2.3
361.05008	0.7
372.20938	1.3
376.16092	6.2
415.22668	0.6
430.28732	1.0
435.13828	0.6
456.22198	0.8
474.23184	73.5
475.08176	2.4
475.23471	3.9
475.29263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98817	1.2
66.21151	0.4
70.64020	0.6
78.95904	100.0
96.96960	7.3
103.14452	0.5
104.02480	0.4
104.55204	0.4
140.01166	1.0
152.99580	15.2
171.00639	17.8
173.06964	0.4
196.03853	1.0
214.04845	0.6
277.21716	7.8
278.21997	0.6
400.22577	1.4
474.26239	54.8
475.26645	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.98822	0.3
70.77000	0.4
71.01387	0.5
78.95898	9.5
84.49854	0.3
96.96957	0.4
140.01190	2.5
152.99593	1.2
162.83936	1.1
164.83607	0.6
171.00601	0.5
173.21268	0.3
180.15143	0.2
196.03839	1.1
214.04874	3.3
233.22667	0.4
259.20547	0.3
275.20169	0.6
277.21710	100.0
278.22089	3.2
438.08200	0.6
474.26227	12.4
475.26523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86241	0.4
59.01377	1.5
62.05202	0.4
62.26955	0.4
67.05429	0.4
69.47440	0.4
69.53934	1.9
70.26505	0.4
70.38776	0.4
70.40398	0.3
71.01381	11.5
81.20604	0.4
85.02966	0.6
90.80235	0.4
95.01377	0.9
101.02441	0.7
113.02470	0.5
115.00378	8.3
123.00880	17.9
135.04529	0.8
138.03226	31.0
139.03563	0.8
153.05566	12.7
165.01897	0.5
166.99858	8.4
177.35960	0.4
179.05644	0.4
182.02208	33.9
197.04539	100.0
198.04893	1.7
239.05713	0.4
268.20499	0.4
275.13629	0.4
313.39969	0.5
359.09818	24.8
360.10144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82653	0.4
59.01378	1.4
70.94095	0.4
71.01379	12.9
71.13190	0.5
74.34434	0.3
82.33253	0.3
85.02940	0.3
87.98428	0.4
89.00455	0.3
89.02465	0.6
90.00935	0.3
91.28535	0.3
95.01391	1.5
99.00833	0.4
113.02431	0.6
115.00374	7.5
117.41826	0.3
123.00884	19.7
137.02426	0.6
138.03229	33.4
139.03499	0.4
153.05577	13.6
166.99852	9.6
182.02217	37.8
183.02515	0.7
197.04553	100.0
198.04886	2.2
205.08681	0.4
213.09723	0.3
239.05608	0.6
313.90234	0.4
359.09808	22.9
360.10107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25307	0.7
55.01868	1.7
57.03437	2.2
59.01378	49.1
61.98809	2.3
67.01862	1.0
67.66020	0.6
69.03426	1.0
71.01012	1.2
71.01382	17.8
71.94319	0.8
72.99298	3.6
73.02929	2.9
75.00866	16.6
83.01389	1.2
85.02452	1.5
85.02947	19.8
87.00868	5.6
89.02411	3.3
93.03443	1.4
95.01375	4.8
95.05013	1.8
99.00876	11.2
101.02414	3.2
103.00364	2.3
103.15466	0.7
111.00867	1.3
113.02446	30.1
115.00371	2.0
117.01945	3.3
121.02953	100.0
122.03279	2.1
129.01944	1.6
131.03529	0.9
139.03011	1.4
139.04015	18.4
139.15105	0.8
146.08197	1.6
147.08450	1.0
153.60867	0.7
157.01398	1.7
161.04568	1.0
175.02527	3.6
191.05568	1.6
220.93784	0.8
225.09116	1.8
226.09523	1.2
231.05138	1.0
341.70758	0.9
353.08749	14.5
366.65860	0.8
415.27066	2.4
433.28128	2.8
439.17700	1.1
472.87033	0.9
475.12418	46.2
475.25455	3.5
476.12851	3.1
476.19345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46073	3.2
71.01381	15.0
72.99292	2.8
89.02438	2.7
90.58530	0.9
98.21930	1.8
108.80323	1.0
113.03553	1.4
114.01993	0.9
115.00374	41.9
129.70514	0.8
131.04633	2.5
132.02998	2.5
133.01433	100.0
204.80067	0.9
393.97296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50621	2.2
59.01377	100.0
61.98830	3.9
62.92103	2.2
70.42756	4.4
71.01371	10.6
73.02945	25.8
75.00866	2.7
81.51070	1.9
82.35175	1.9
83.01385	3.4
85.02948	4.7
97.02988	2.3
98.22543	2.8
101.02425	11.4
113.02444	3.7
126.99577	3.8
139.04041	15.2
143.03523	2.2
167.06331	39.4
185.40103	2.6
197.06158	2.3
211.05272	16.6
214.43694	2.1
225.06837	24.3
227.10713	15.9
228.11322	2.8
240.04318	5.6
241.04977	3.0
253.06401	15.0
255.06563	17.6
256.07401	3.9
271.07098	4.5
271.09753	43.8
272.10153	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59221	3.5
59.01377	100.0
61.98824	21.4
63.83524	3.6
71.01376	24.2
73.02938	34.7
83.01398	7.4
83.35642	3.5
85.02969	5.1
89.02445	15.8
94.62699	3.6
101.02443	28.5
113.02452	10.9
119.03514	5.0
132.27513	3.7
152.84190	3.8
161.04527	21.2
170.57469	3.5
171.20107	4.2
179.05562	5.5
221.06459	4.8
237.35316	4.4
415.23331	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.9
59.42770	1.3
61.98833	1.8
69.84341	1.6
82.95414	10.5
83.05019	3.1
93.03450	40.5
94.03795	1.9
98.21835	2.4
102.36058	1.7
120.35214	1.7
125.40321	1.7
131.77788	1.5
137.02435	50.6
138.02797	1.9
163.11253	2.1
165.12782	1.7
188.95390	2.0
207.08081	2.5
209.11803	44.7
223.07469	1.8
235.03903	2.4
235.07596	6.9
251.07092	5.9
261.05475	2.3
262.06305	1.7
263.07037	4.3
266.09332	3.2
279.06619	55.8
280.06976	3.2
291.06595	22.9
292.07278	4.2
293.08264	2.2
294.08865	6.2
305.08282	3.0
306.08957	18.3
307.06119	72.6
307.09332	2.9
308.06442	3.8
321.07681	4.6
322.08426	30.3
337.10785	100.0
338.11020	7.1
401.22845	1.7
471.70630	1.9
473.28748	1.6
475.27469	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	475.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01374	7.7
61.98825	2.9
65.00307	0.7
67.01881	0.3
69.03445	0.4
69.76891	0.4
69.77259	0.5
71.01371	1.5
73.02952	0.3
81.03459	5.1
83.01388	3.2
85.02950	0.5
87.00848	0.4
89.02478	0.3
93.03447	0.8
95.01361	0.3
95.05018	1.3
97.02980	0.6
98.21890	0.4
99.04498	0.4
99.61432	0.3
101.02443	0.8
103.00340	0.4
107.01396	0.4
109.02948	0.3
113.02423	0.4
119.05048	0.6
121.02935	0.7
123.04522	34.2
124.04857	0.4
125.02447	5.5
129.10341	0.4
131.01366	0.4
135.04553	0.7
137.02428	1.9
139.04008	0.7
145.06177	1.0
149.02415	1.3
151.00380	1.6
151.03996	1.1
161.04597	0.3
163.03967	1.6
165.01840	0.3
166.02696	0.7
167.03490	100.0
168.03807	2.0
175.00342	1.2
179.03496	0.8
180.04256	0.4
181.05014	2.8
181.06334	0.3
187.40999	0.3
191.03491	19.0
191.05321	0.6
192.03934	0.7
209.04533	7.1
221.04526	1.0
228.85172	0.3
233.04530	0.7
255.04121	1.3
283.03668	1.8
329.10303	1.1
415.23355	1.1
475.14572	39.8
476.15042	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34229	0.2
55.99463	0.2
59.01376	4.5
61.98798	0.4
65.23948	0.2
71.01362	0.5
73.02914	0.3
85.02921	0.2
93.54975	0.2
94.45981	0.2
101.02361	0.2
139.03989	2.0
167.06139	0.2
185.06096	0.2
197.06073	3.9
199.03944	0.4
209.11807	0.3
213.05534	0.4
224.04781	0.5
239.07158	0.8
240.01736	0.3
240.04253	8.3
241.05009	3.6
255.06615	26.5
256.07339	6.6
271.09738	100.0
272.10062	4.4
272.12997	0.3
407.85913	0.2
475.16080	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	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86818	0.2
59.01377	3.0
63.72950	0.2
71.01367	0.2
73.02917	0.2
77.93668	0.2
101.02410	0.3
124.23607	0.2
132.45615	0.2
139.04004	1.3
167.15181	0.2
191.05656	0.2
197.06081	4.2
199.03923	0.5
209.11818	2.3
213.05548	0.6
224.04745	0.6
239.07132	0.8
240.04276	10.1
241.05040	3.7
255.06615	29.8
256.07339	6.5
257.07593	0.3
270.08975	0.3
271.09747	100.0
272.10086	4.5
289.18140	0.9
475.16071	0.7
475.21530	0.2
475.27066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01107	0.3
59.01381	2.3
61.98831	1.3
70.50127	0.4
70.50447	0.4
100.58437	0.3
101.02473	0.3
126.88702	0.3
139.04005	1.2
152.06805	0.3
162.23807	0.3
165.59521	0.3
173.98117	0.3
185.05960	0.3
188.04706	0.3
197.06076	3.2
209.11873	0.5
213.05461	0.5
224.04707	0.4
227.16536	0.7
239.07065	0.6
240.04266	8.1
241.05034	3.6
251.45013	0.3
255.06612	24.9
256.07339	5.7
270.08755	0.3
271.09741	100.0
272.10059	4.6
288.22311	0.2
415.23254	0.4
433.14807	0.5
433.24222	0.6
475.16348	1.7
475.25449	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	475.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27042	0.8
55.83916	0.7
61.98829	100.0
69.31114	3.1
69.31537	2.0
95.88967	0.9
145.84749	1.1
376.54785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55918	0.5
55.75690	0.5
59.01378	36.1
71.01395	2.8
71.42430	0.6
73.02937	0.7
83.28149	0.5
85.02952	1.0
89.02431	1.1
99.39675	0.5
101.02439	1.3
121.67794	0.5
135.04523	1.0
146.03735	29.7
147.04451	0.5
161.04584	1.5
161.06046	10.6
163.04013	0.8
164.04784	22.0
164.06146	1.2
179.07129	100.0
180.07466	2.8
183.08389	0.5
191.05600	0.8
193.05028	0.9
221.84401	0.5
318.44077	0.6
415.16049	1.9
475.21820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.4
59.01380	100.0
59.16048	0.6
60.01722	0.7
61.06268	0.8
61.98827	17.8
64.94927	0.8
71.01385	27.4
71.42743	0.8
73.02944	10.8
82.95428	1.3
83.01404	1.8
85.02953	7.8
87.00895	3.0
89.02443	30.1
93.03465	1.2
93.97665	0.7
95.01393	2.4
95.05017	1.1
97.02934	0.8
98.21938	0.8
99.00881	6.6
101.02444	17.7
106.06602	1.0
109.06643	0.8
113.02447	12.5
115.11683	0.7
116.92876	3.3
119.03502	5.1
125.02438	1.7
131.03496	4.0
133.66646	0.8
134.06126	14.2
135.49236	0.7
139.04012	13.8
143.03477	1.9
148.04045	18.2
149.04547	14.1
152.07242	1.0
160.04037	5.8
161.04529	5.8
165.05493	0.7
174.05583	2.7
179.05635	2.4
188.47388	0.7
191.05583	4.4
221.06754	1.2
227.93806	0.8
251.07828	1.8
263.72305	0.8
267.11386	5.3
271.19208	1.1
292.02914	1.2
295.10886	22.9
327.20828	0.8
361.14957	1.9
373.05521	1.1
394.06158	1.1
415.16016	10.5
415.23285	8.8
416.16647	0.8
433.24347	3.1
445.91745	0.9
447.17709	1.5
475.17139	58.8
476.17776	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	475.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98819	1.2
69.46799	1.0
93.03477	0.4
98.22585	0.6
106.04251	5.5
121.02934	0.4
138.03221	0.5
149.06075	1.2
150.06868	19.5
163.04039	0.4
164.04810	0.5
165.09204	30.7
166.09544	1.0
255.10341	0.5
256.10971	0.5
258.70709	0.3
271.13391	100.0
272.13748	4.5
343.73209	0.3
401.82773	0.4
415.17529	0.8
433.18744	0.6
475.19519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.25882	3.9
61.98828	26.5
65.22784	3.9
69.14881	21.8
71.01384	19.8
72.05422	3.6
73.02950	6.4
85.02967	8.3
87.00877	7.3
89.02444	11.5
92.35141	3.8
101.02452	14.8
102.24384	3.9
112.53061	3.9
113.02457	12.5
113.07195	5.2
115.02070	4.0
119.70759	3.5
125.02406	4.5
129.10286	7.9
131.03409	7.1
157.89740	5.2
161.04497	12.3
191.05540	8.3
255.59039	5.3
261.12524	4.7
272.00040	4.1
294.97339	3.8
327.10181	6.9
342.92184	3.9
344.54843	4.1
415.23312	24.3
475.21457	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	475.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44051	1.3
59.01376	100.0
61.51896	1.6
61.98826	24.9
65.00319	2.6
71.01379	18.5
73.02943	6.6
81.03452	2.3
82.95420	2.3
83.01385	6.3
83.01836	1.6
85.02943	7.7
87.00871	3.5
89.02441	8.5
93.03455	5.2
96.95890	1.4
97.02940	3.4
101.02444	10.9
101.54634	1.4
107.01395	3.3
109.02959	1.7
111.04543	1.7
113.02431	9.6
119.03537	3.6
119.05016	23.4
121.02999	3.5
125.02459	8.5
130.08728	2.4
133.02907	2.2
134.85883	1.4
137.02438	3.7
143.03568	2.4
143.04994	3.1
149.02428	4.4
151.00357	9.1
159.03009	2.1
161.04535	8.8
163.00365	3.3
165.01927	4.9
167.03415	2.4
179.05548	2.7
181.08597	1.6
191.05573	3.6
193.01367	13.6
193.05099	1.6
206.78197	1.5
219.02979	2.2
223.02463	2.9
231.12321	3.5
253.18115	3.7
271.06067	7.1
313.07150	70.3
314.07474	3.4
330.67938	1.5
343.08179	21.2
361.14798	1.8
378.61389	1.8
415.23288	22.3
416.23730	1.8
418.18774	2.1
432.20300	1.9
475.12534	3.6
475.22055	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	475.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55949	18.2
59.01374	100.0
60.15766	20.6
61.98821	64.7
69.29566	40.7
69.29955	53.6
82.91940	24.3
88.98815	26.4
94.33260	22.7
97.02949	20.8
98.22609	54.5
98.27662	23.3
114.36634	18.1
118.67900	24.9
120.99599	31.8
138.03154	21.8
153.05548	44.3
161.42123	27.0
327.10165	38.5
457.21033	38.1
475.14871	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85402	0.4
59.01379	25.2
60.99306	1.7
70.57684	0.5
71.01385	4.6
73.02923	1.1
79.63915	0.5
82.04707	0.6
85.02970	1.6
87.00877	100.0
87.04512	0.7
88.00424	1.2
88.01202	1.2
88.04031	2.3
88.98808	13.5
89.02448	9.9
93.03445	0.7
96.96007	2.3
101.02443	4.0
113.02457	2.9
114.93414	1.0
116.92853	1.5
119.03461	0.9
122.06043	0.5
123.00884	1.4
123.08170	0.8
132.82358	0.5
135.04520	0.8
135.75426	0.5
138.03224	1.4
139.03987	2.0
153.05605	1.3
154.05945	0.7
161.04556	2.9
166.99899	0.8
177.05600	0.8
179.05679	1.2
182.02213	3.0
184.02699	1.0
187.42000	0.5
189.12912	0.6
197.04550	6.2
198.04837	2.7
199.04927	2.6
207.13940	1.3
290.34549	0.5
292.02994	0.8
301.07645	0.7
344.13669	0.6
359.09579	0.7
361.10974	1.6
368.47598	0.6
387.20288	1.0
415.23404	1.4
431.20016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78033	1.1
55.01867	6.7
57.03446	6.2
59.01379	86.3
61.98830	6.9
69.60919	2.9
69.61309	2.1
71.01382	86.9
72.99289	1.5
73.02946	36.1
83.01389	19.7
83.05038	5.6
85.02954	46.3
85.03465	2.7
85.40868	1.3
87.00889	4.8
88.98842	2.0
89.02443	31.2
95.01377	6.3
97.02950	3.2
99.00864	10.9
101.02442	100.0
101.06118	2.4
102.02753	1.8
110.08980	1.2
111.48402	1.4
113.02451	40.4
119.03503	12.6
120.99683	6.0
121.02980	1.6
122.99232	7.4
125.02490	2.0
129.01941	2.1
131.03511	2.8
143.03447	6.4
145.05072	3.9
159.03017	6.3
161.02568	2.8
161.04556	43.3
161.05846	2.7
179.05612	5.9
219.09010	1.6
238.35901	1.6
253.12416	1.8
271.09778	2.5
313.16565	66.2
314.16953	3.0
437.18094	1.9
443.97574	1.4
475.22031	55.1
476.22116	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	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53596	0.7
55.01883	1.3
57.03446	1.1
59.01377	100.0
59.87844	0.8
61.98816	4.0
69.03458	1.4
69.46202	2.4
70.98856	0.6
71.01380	17.5
73.02935	8.4
74.29140	0.6
76.48718	0.7
83.01395	2.4
85.02938	6.3
87.00889	1.8
87.04516	1.1
89.02447	10.4
95.01409	1.5
99.00906	1.9
99.55904	0.8
101.02436	11.9
109.72498	0.7
111.72670	0.8
113.02451	12.9
119.03545	3.0
131.03543	0.9
137.09816	1.2
139.04012	4.7
143.03482	1.3
159.04462	0.9
161.04573	6.7
162.15366	0.8
173.04630	0.9
177.39716	0.8
179.03499	0.8
179.05583	3.8
191.05746	1.4
199.09943	1.1
231.62814	0.7
254.72961	0.7
255.09082	1.0
290.13361	0.8
361.15103	4.0
361.18686	1.7
371.20929	2.3
389.21738	1.5
415.23480	7.8
431.23212	4.2
433.24496	1.9
475.22333	2.4
475.29541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84909	3.4
54.93777	3.7
59.01374	16.8
61.98810	7.9
63.62785	3.7
64.20631	3.3
65.43504	3.9
69.21638	3.5
71.01379	17.7
71.01746	3.3
89.02397	3.3
91.62270	4.1
101.19066	3.8
109.35102	3.8
153.08926	3.8
153.86082	3.6
264.13766	4.4
277.21753	100.0
291.23318	4.5
319.22678	11.6
349.23419	6.8
407.34052	3.9
435.75949	4.4
475.24304	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	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	54.8
61.98824	100.0
64.79149	27.6
82.12099	27.8
98.52108	28.1
117.22291	29.3
148.38037	35.4
171.00653	27.4
277.21722	30.9
306.30615	34.6
413.34531	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03436	0.7
59.01378	100.0
60.01719	0.5
61.98818	5.0
69.03466	0.7
71.01381	13.1
73.02950	5.7
74.04700	0.4
82.95418	0.4
83.01389	2.0
85.02951	5.8
87.00896	1.5
89.02445	4.4
91.29848	0.4
95.01398	1.2
96.38925	0.4
97.02935	0.6
99.00893	1.2
101.02441	11.6
103.28819	0.5
107.01461	0.4
109.28143	0.4
113.02448	8.7
113.16292	0.4
119.03518	1.4
125.02415	0.5
131.03519	0.4
137.02440	1.0
137.06097	1.1
139.04073	1.2
143.03574	1.3
149.04550	0.6
159.03043	1.1
161.04555	14.0
161.05833	0.9
179.05594	0.7
191.05569	0.5
193.05789	0.4
222.18486	0.4
253.18182	1.0
266.72397	0.5
271.19153	1.0
354.82932	0.4
361.11362	1.0
361.15219	1.2
410.10718	0.5
415.23349	28.8
416.23810	1.1
433.24780	2.7
475.26154	3.2
499.77750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41193	0.5
55.01879	0.9
57.03453	0.8
59.01377	100.0
61.98827	5.4
69.34610	1.3
69.34995	1.2
70.12688	0.5
71.01380	16.8
73.02949	4.9
79.83244	0.6
83.01395	2.2
83.02683	0.5
85.02944	6.7
87.00893	0.6
89.02441	6.5
95.01402	1.5
99.00869	1.6
99.57214	0.5
101.02436	13.3
107.01402	0.6
113.02443	8.7
118.98106	0.6
119.03519	2.9
119.05045	1.6
125.02483	1.0
132.05811	0.5
134.65154	0.5
136.26389	0.5
139.11238	0.5
143.03526	1.4
151.00404	0.9
155.67171	0.5
159.03049	1.9
161.04559	18.1
179.05609	1.0
193.16104	1.6
217.15955	1.0
231.10229	0.8
235.16975	5.4
236.17552	0.6
253.18137	0.7
271.06100	4.4
273.51224	0.5
297.07797	0.7
383.11594	0.8
415.23355	39.0
416.23956	2.1
445.15259	0.6
475.24979	0.7
485.14517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38597	4.1
75.00887	1.0
78.95895	4.0
98.21832	1.5
110.98524	3.8
167.01222	0.9
185.02185	3.3
254.16754	0.9
307.26413	100.0
308.26700	7.5
398.24164	0.9
475.28287	13.8
475.34650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	43.2
61.98825	100.0
62.97315	19.1
96.95999	17.7
107.25547	16.9
112.83939	15.5
117.27374	17.5
120.66245	17.3
152.06363	17.3
156.72466	15.1
277.21701	84.1
305.40390	16.5
319.22519	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
50.06128	3.5
55.58217	3.6
59.01374	100.0
61.98825	41.3
64.62630	3.7
71.01375	20.5
73.02946	5.2
73.61428	3.1
82.95403	8.0
85.02984	4.3
89.02448	19.2
101.02441	15.8
113.02460	11.2
119.03514	9.2
131.18042	3.6
137.02383	5.0
161.04562	12.5
179.05586	3.6
284.66766	4.0
329.81982	4.0
415.23318	33.6
475.24704	5.3
475.30643	59.7
476.31088	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3066
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
50.06398	0.9
56.91951	1.0
57.03444	2.7
58.39486	0.9
61.98809	1.1
64.75665	0.9
69.03458	2.2
71.05022	1.1
71.42218	1.0
71.71249	0.9
73.43504	1.0
83.05001	1.1
85.17114	0.9
98.04372	0.9
107.05047	2.5
109.06593	50.4
111.89798	1.0
123.79202	0.9
125.90588	1.0
132.80103	1.0
143.37946	0.9
199.17059	1.3
200.17464	1.3
290.73846	1.0
319.26520	1.6
343.26352	3.4
357.27921	1.3
359.29572	16.9
360.29974	1.3
371.29565	10.9
387.32858	2.5
413.30566	8.8
414.30792	1.2
425.24957	1.5
431.31650	41.1
432.31985	3.3
475.30661	100.0
476.31165	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	475.3063
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
53.56092	1.7
61.98825	2.9
71.42788	2.3
72.37465	1.8
102.41353	2.0
103.85704	1.9
111.00882	2.2
121.02937	5.6
122.03726	21.8
123.04535	27.8
125.02469	10.7
137.02428	5.5
138.03221	3.7
165.01819	2.1
166.02736	6.1
167.03484	10.1
173.04274	1.9
174.06972	2.3
175.07669	1.8
184.04022	1.8
273.83368	2.1
405.26437	56.3
406.26843	4.7
457.29504	4.6
475.30649	100.0
476.31000	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	476.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22137	0.3
55.01870	0.5
58.93083	0.3
59.01376	9.2
60.01711	0.5
61.98825	100.0
63.17062	0.3
69.35960	0.8
69.36332	1.9
71.01378	3.2
73.02949	0.9
78.55260	0.3
83.01405	0.5
85.02953	0.8
87.00894	1.1
88.98811	0.3
89.02417	2.0
89.81927	0.4
93.03455	9.9
96.96017	0.4
101.02424	1.8
112.01710	0.6
113.02459	1.8
115.92077	0.4
116.92899	1.2
119.03511	0.8
127.04026	1.5
131.03502	0.4
134.94681	0.4
137.02435	30.6
139.04025	2.2
139.07579	0.3
140.04391	0.7
143.03551	0.5
161.04591	1.2
165.77942	0.3
176.40297	0.4
179.05641	1.0
197.04590	0.4
240.64188	0.3
275.31879	0.4
299.07697	5.2
362.14865	0.7
363.13000	0.7
415.23520	0.6
433.17111	1.0
433.24588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
61.98827	100.0
69.12318	0.2
71.01380	1.1
76.50518	0.3
85.02976	0.4
85.65521	0.3
88.50655	0.3
89.02446	0.8
92.14886	0.3
98.21861	0.7
99.00808	0.3
101.02456	0.8
110.63280	0.3
113.02445	1.1
137.06082	3.8
141.27048	0.3
161.04582	2.0
299.11481	0.9
363.12964	0.8
388.81888	0.3
416.16739	0.3
476.25122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20946	0.4
59.01378	20.8
59.67757	0.4
60.01708	1.2
60.71870	0.4
61.98828	100.0
71.01378	6.4
72.99319	0.4
73.02953	2.0
73.03319	0.3
82.95438	0.5
83.01398	0.8
85.02963	2.0
86.03311	0.4
87.00889	0.7
87.04535	0.4
88.98819	0.7
89.02435	5.1
90.98642	0.4
95.01372	0.4
95.05040	0.5
101.02438	4.3
112.01717	0.4
113.02447	5.3
114.02764	0.4
119.03506	2.6
119.05033	1.5
125.86298	0.4
127.04031	0.6
129.15636	0.3
135.04559	1.2
137.02452	6.9
137.06105	0.5
138.01944	0.5
139.04063	2.1
161.02467	1.1
161.04543	1.9
173.04588	0.4
179.03535	0.5
179.05635	1.5
191.05676	0.7
201.11455	0.6
257.05576	0.7
292.53192	0.6
299.07831	2.4
299.11465	8.7
300.11841	0.4
362.15616	0.8
363.16888	2.0
363.20749	0.5
373.56076	0.5
415.23624	1.2
416.23727	2.5
433.24588	1.2
434.24869	1.1
477.23694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48889	1.2
57.16325	1.1
57.99786	1.3
59.01377	100.0
60.01706	1.6
60.31858	1.1
61.98829	34.4
71.01365	6.3
71.29920	1.6
73.02930	1.7
84.84095	1.3
85.02990	1.8
87.00871	2.3
89.02439	3.3
93.03451	3.6
97.02959	1.3
101.02435	3.0
108.39228	1.2
112.04053	2.8
113.02421	2.9
118.98079	1.7
120.01229	1.8
137.02451	7.9
161.04541	2.2
191.05630	2.7
363.12836	2.9
363.16772	1.9
400.82318	1.3
407.75854	1.4
416.23758	2.9
454.60394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01708	1.0
61.98832	1.1
71.01378	1.9
73.02921	1.5
85.02945	1.1
88.04041	0.9
89.02435	1.0
102.29595	0.9
120.99589	0.8
123.08147	0.9
128.03625	1.1
149.06055	1.0
167.07101	2.8
186.14191	0.9
191.05540	1.7
221.59013	0.8
273.11240	1.0
306.07681	2.6
412.13983	1.2
413.23819	2.0
477.13248	1.4
477.19635	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	476.278
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01371	0.5
78.95903	12.4
92.87351	0.4
93.27410	0.4
96.96964	0.8
102.32607	0.4
107.41352	0.4
114.68036	0.4
129.79649	0.4
140.01215	2.1
152.99611	1.3
171.00621	1.5
178.87914	0.4
179.40912	0.5
196.03741	0.9
214.04854	3.6
235.55096	0.5
274.34497	0.5
279.23294	100.0
280.23679	5.4
476.27789	13.9
477.28220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09458	0.4
59.01379	0.8
61.98815	0.9
63.27618	0.6
63.36784	0.4
70.94064	0.4
74.00047	0.5
75.55274	0.4
78.95903	64.0
80.12574	0.4
96.96007	0.6
96.96962	2.9
108.10679	0.4
117.49606	0.5
122.00127	1.3
136.46182	0.5
140.01173	6.2
143.20207	0.5
152.99577	8.3
168.60388	0.5
171.00632	9.2
196.03786	11.3
213.22624	0.4
214.04886	2.3
261.22028	0.5
262.34723	0.5
279.23288	100.0
280.23581	4.4
402.23831	0.5
476.27783	56.6
477.28009	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.57618	0.3
62.96394	0.3
66.78529	0.3
71.39828	0.3
78.95902	100.0
84.41959	0.3
96.96963	8.6
118.02672	0.3
140.01137	0.5
150.98064	0.3
152.99588	16.2
171.00639	18.4
196.03720	0.4
269.08093	0.3
279.23294	3.8
301.57404	0.3
384.22916	0.4
402.24039	1.5
476.27789	61.9
477.28073	3.8
499.89899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98821	0.8
69.16116	1.6
74.34607	0.3
75.94180	0.3
77.64679	0.2
78.95903	100.0
84.93135	0.3
88.25837	0.3
96.96958	8.6
111.21267	0.3
122.98497	0.3
140.01144	0.5
145.25922	0.3
150.98035	0.4
152.99590	18.1
171.00642	19.1
200.36459	0.3
207.43810	0.4
249.37759	0.3
301.86963	0.4
402.23959	1.5
476.27792	57.7
477.28165	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	477.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01378	13.2
60.01721	0.8
60.99303	0.9
61.98831	9.0
69.03447	0.7
69.93610	1.1
69.93944	0.8
71.01385	7.8
72.99304	1.1
73.02934	2.3
73.95244	0.6
75.00869	4.3
81.23222	0.5
83.01421	0.6
83.05008	0.7
83.93054	0.7
84.93861	1.9
85.02960	3.6
87.00861	1.8
87.04520	5.3
88.62801	0.6
88.98816	4.9
89.02452	6.5
90.98604	0.6
96.96022	7.9
97.02969	0.6
98.22657	0.6
98.95603	3.5
99.00870	2.4
99.17527	0.6
99.92585	34.4
100.93362	48.2
101.02433	4.7
101.93372	1.8
111.00883	1.3
112.01656	1.7
113.02454	6.1
113.35436	0.6
115.92076	52.5
116.92860	100.0
117.92889	3.8
119.03493	1.9
121.02874	0.6
124.93411	0.6
126.94956	1.4
127.04028	4.8
128.92882	0.9
131.03488	6.1
132.92302	0.7
135.04514	0.6
139.04024	4.0
140.96530	2.7
141.93604	2.8
142.94400	3.0
142.98091	0.7
144.00681	0.6
147.08162	0.6
147.12276	0.5
149.04543	0.7
154.94435	2.1
158.04567	1.8
159.03157	0.7
161.04553	2.6
167.95203	1.6
168.96021	1.8
169.96794	2.0
170.93927	0.9
170.97562	1.6
183.94603	0.7
184.95425	0.9
191.05710	1.0
195.94664	0.8
196.95479	2.2
198.93428	0.7
198.97021	1.7
209.96262	0.7
213.95747	10.0
214.96510	6.0
215.97073	1.2
226.96504	0.7
242.95952	2.8
244.97591	1.6
251.07921	0.5
259.96289	0.6
297.46948	0.6
299.02231	3.2
301.09296	0.8
309.00839	1.4
309.14355	0.6
310.98572	1.0
315.10913	0.6
327.02051	1.3
329.03357	2.3
345.02902	0.7
346.03424	0.6
347.04404	1.8
355.98370	0.8
363.12918	5.2
363.16769	1.2
373.99725	0.8
387.07602	9.9
416.23688	0.7
441.04938	30.7
442.05029	2.1
459.05939	2.7
477.07043	46.3
477.19531	5.6
478.07178	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	477.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25267	0.3
59.01380	4.4
61.74491	0.3
61.98828	100.0
69.35223	1.4
71.01415	0.7
73.02920	0.4
85.02937	0.5
94.60364	0.4
97.34418	0.4
101.02460	0.7
108.02180	3.1
113.02428	0.7
130.08725	1.7
138.01968	80.8
139.02318	1.8
161.04573	0.8
163.08815	0.4
180.02963	0.6
191.05565	0.5
243.02866	1.3
271.02411	1.4
285.03998	0.9
290.13953	0.6
300.02676	0.8
300.07367	0.6
314.04245	0.9
315.04984	1.5
354.89679	0.4
377.35709	0.4
414.10660	0.6
447.26077	1.5
459.08920	0.6
477.10458	3.2
477.22592	1.1
477.27737	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98822	1.2
68.97188	0.3
69.16751	0.3
70.14723	0.6
70.15050	0.5
89.60007	0.3
107.01390	1.3
115.57844	0.3
125.02402	0.4
150.90694	0.4
151.00352	3.0
153.01991	0.4
165.05530	0.7
169.01338	0.3
171.04523	0.6
178.99899	0.3
193.01564	0.3
197.02333	0.4
199.04008	3.7
201.02014	0.7
203.03526	0.7
204.04323	0.4
215.03459	2.8
225.02037	0.4
226.02797	0.6
227.03477	3.8
229.01437	0.5
242.02196	7.5
243.02969	38.2
244.03323	1.0
255.02940	0.7
257.04529	9.0
258.29239	0.4
270.01672	9.7
271.02466	38.5
272.02875	0.8
285.04028	20.0
286.04782	6.5
299.01968	7.6
300.02710	4.6
314.04312	39.4
315.05045	8.7
357.05945	1.1
473.76212	0.4
477.10364	100.0
478.10690	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00262	0.2
50.74697	0.2
55.37902	0.2
55.75550	0.2
59.01372	0.8
61.98817	1.0
69.38428	1.1
76.42196	0.2
85.02935	0.2
107.01392	0.9
125.02426	0.5
147.04468	0.2
151.00385	2.4
153.01961	0.4
163.05965	0.4
164.01154	0.2
171.04503	0.6
175.03995	0.5
178.99866	0.5
181.07199	0.3
187.04022	0.3
197.11815	0.3
199.04015	3.1
199.20277	0.3
201.01953	1.2
203.03407	0.4
204.04254	0.5
211.04109	0.2
215.03516	2.5
225.02025	0.5
226.02753	0.6
227.03497	3.2
229.01375	0.5
242.02196	7.1
242.05914	0.3
243.02962	36.8
244.03337	1.1
255.02977	0.8
257.04559	10.4
258.04849	0.3
270.01666	9.6
271.02466	36.9
272.02725	1.2
285.04022	21.2
286.04782	6.8
286.07999	0.3
287.05328	0.4
299.01981	8.8
299.05420	0.5
300.02707	5.3
301.03265	0.3
313.03375	0.3
314.04300	48.4
315.05023	9.0
357.05948	1.3
457.63232	0.3
477.10339	100.0
478.10617	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	477.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	6.9
69.84155	7.4
69.84517	6.4
72.62316	3.0
77.53378	3.4
78.95900	10.1
83.90535	3.7
106.04293	5.8
107.05010	3.6
108.02193	25.8
109.02944	3.4
110.65601	3.1
151.04030	3.1
152.99594	3.7
167.06342	8.6
185.06152	3.6
212.04813	4.4
213.05573	100.0
238.40929	2.8
391.28534	12.8
407.10510	13.8
433.29413	8.1
447.31284	3.3
477.32053	19.9
478.29236	7.2
498.68484	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	477.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
59.64004	3.1
66.69874	2.7
69.03439	3.3
71.05000	5.7
72.43248	2.2
72.70702	2.4
87.04519	4.0
92.06351	2.4
99.04521	22.1
108.02171	7.5
109.02928	4.8
111.62597	2.3
112.82249	2.3
115.04021	17.3
117.05576	2.7
127.02527	6.0
130.66872	2.1
131.03496	5.1
135.87450	2.3
143.03490	89.6
152.01106	5.4
153.01849	4.4
157.03455	2.3
161.04553	100.0
167.78474	2.2
173.01244	3.0
181.03577	13.5
183.02730	10.2
191.05560	3.4
201.02519	7.9
225.02534	13.1
243.03546	11.1
253.05605	3.2
257.01459	3.1
285.22473	2.9
297.04636	9.0
315.07077	7.3
327.05634	8.6
339.05707	10.8
357.06714	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	477.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87239	6.0
56.48985	4.9
57.02017	4.8
57.41087	4.9
59.01375	14.7
69.82418	19.2
93.03456	51.8
98.21848	6.5
137.02446	100.0
180.63362	5.8
495.62854	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68987	0.4
53.34337	0.4
59.01384	0.8
61.98836	2.8
93.03461	68.0
94.03790	1.9
113.13890	0.5
137.02448	100.0
138.02753	1.3
145.02939	1.3
162.33794	0.5
191.08603	0.5
217.06516	0.6
219.08185	1.1
221.06148	0.7
234.06903	0.8
235.07652	2.0
237.09138	0.6
247.07677	0.5
251.07133	0.6
253.08705	2.2
262.06467	0.7
263.04532	0.7
263.07062	4.2
265.08676	0.7
268.11038	0.5
281.08228	8.5
285.46915	0.5
291.06680	2.8
291.09561	0.5
292.07346	0.9
293.08154	2.8
295.09552	0.6
296.10474	1.8
307.09708	0.7
308.10449	1.7
309.07712	30.7
309.20697	0.8
310.08118	1.4
323.09222	2.5
324.10040	16.7
339.12360	33.9
340.12650	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	477.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03449	0.8
58.00596	1.5
59.01376	91.9
60.99289	0.4
67.01877	0.5
69.03456	8.8
69.19506	2.5
71.01379	82.7
72.01733	0.6
72.99307	1.4
73.02943	12.4
75.00863	4.0
79.01880	0.9
81.03452	5.3
82.40470	0.4
83.01381	5.6
83.87188	0.4
85.02452	0.7
85.02946	9.4
87.00869	2.0
89.02441	100.0
90.02764	0.8
95.01376	1.7
97.02947	14.5
99.00880	18.0
99.01534	1.0
99.04504	2.7
101.02441	15.9
107.01353	0.9
109.02953	0.8
110.00090	1.3
111.00868	1.8
112.01676	0.5
113.02443	9.0
115.04002	8.3
117.84793	0.4
119.03487	2.1
125.02443	53.6
127.04003	4.1
129.26196	0.5
131.03496	11.8
137.99602	3.2
139.00337	0.6
141.05943	0.5
143.03485	3.2
149.04549	15.3
153.01929	42.7
154.02451	0.8
155.03529	0.6
161.04506	2.5
168.04268	28.1
169.04802	0.5
173.04482	1.3
175.05974	0.5
183.06621	5.3
191.05603	8.9
233.06654	40.3
234.06932	0.7
252.35995	0.4
275.07523	0.4
293.08774	40.8
294.09045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94703	0.2
55.03362	0.2
59.01374	3.3
61.98803	0.3
71.01368	0.7
71.43287	0.3
83.01407	0.2
85.02924	0.2
93.03452	0.3
101.02472	0.3
108.02178	0.6
113.02441	0.2
116.39218	0.2
121.02940	1.7
122.03737	23.5
123.04120	0.2
124.01643	1.3
136.01675	4.2
136.05328	0.7
137.05980	0.2
151.03987	0.6
151.07687	0.6
156.42679	0.2
225.05513	0.2
226.06308	0.4
243.06575	0.3
258.08807	1.1
273.11304	100.0
274.11652	3.8
374.03302	0.2
377.58844	0.3
477.17599	1.3
477.30518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67805	0.2
59.01379	3.5
62.95309	0.2
67.91416	0.2
69.03449	0.2
69.19320	1.1
71.01374	0.8
73.02954	0.3
85.02971	0.5
89.02454	0.3
93.03457	6.4
101.02464	0.6
102.45673	0.2
107.05036	0.8
108.02183	1.1
109.02938	0.5
113.02441	0.4
120.02253	0.3
121.02956	77.5
122.03801	5.2
135.04529	0.4
136.05292	2.4
149.02438	0.3
150.03233	0.7
151.03979	1.3
151.07645	2.9
151.08807	0.3
161.04599	0.4
164.95491	0.2
176.08136	0.2
226.42467	0.2
241.08592	0.3
255.10255	0.2
257.08124	0.5
258.08972	4.0
271.09766	0.8
272.10526	19.8
273.11301	100.0
274.11633	3.8
285.11230	0.4
287.09399	0.3
287.12564	0.3
297.11157	0.3
299.13080	0.4
315.12442	1.6
327.12408	0.7
417.15527	0.7
417.25000	0.8
435.17184	0.3
461.16336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.98827	0.2
69.19255	1.1
71.01344	0.2
82.75277	0.2
87.04478	0.2
89.02444	0.3
92.53443	0.2
98.21899	0.4
99.25231	0.2
106.04240	0.8
107.05026	100.0
108.05347	1.6
113.02447	0.2
131.26396	0.2
139.44913	0.2
142.45451	0.2
159.63597	0.2
201.05644	0.2
225.05595	1.5
239.07039	1.0
240.07967	0.5
255.10243	6.0
256.10495	0.2
273.11304	46.9
274.11673	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	477.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03440	0.9
59.01376	100.0
60.01701	0.6
69.03461	1.8
69.20618	0.8
69.21036	1.1
71.01377	30.7
72.99312	0.6
73.02943	99.6
74.03288	0.5
75.00854	0.5
79.32185	0.3
81.03439	0.7
83.01382	21.1
85.02939	4.1
87.00879	0.9
89.02445	8.5
94.07696	0.3
95.01389	1.2
97.02934	1.5
99.00859	0.9
99.04536	0.3
101.02440	55.4
102.02811	0.4
107.05026	15.4
113.02445	12.3
119.03493	3.2
125.02425	2.5
131.03502	4.0
137.02412	0.6
143.03502	3.1
149.04561	2.9
155.03481	1.4
159.42744	0.3
161.04565	9.0
179.05688	0.4
181.06601	1.0
183.04591	0.5
203.05602	0.7
203.91206	0.3
222.28299	0.3
224.04771	0.8
225.05545	8.0
226.05919	0.4
227.16492	0.4
239.07083	5.6
240.07814	2.4
243.06607	1.1
255.10245	42.0
256.10526	1.5
258.08939	1.2
273.11316	10.9
273.14264	0.7
332.47742	0.3
417.15402	0.5
435.16693	2.3
477.17551	3.8
477.24960	0.6
489.70966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52433	9.6
59.01382	100.0
60.28231	10.3
61.98825	24.2
69.38829	23.8
69.39216	25.1
71.01370	44.0
81.94023	10.0
85.02935	28.5
88.98814	10.4
89.02448	42.4
93.03453	37.0
96.95982	16.8
99.92600	18.4
101.02438	25.2
113.02459	32.2
116.92848	43.3
119.03510	21.0
129.11739	9.9
139.03911	12.0
153.01837	19.9
153.05576	13.9
161.04512	18.1
166.04991	13.7
173.04573	25.3
179.05559	18.0
185.06154	71.9
187.07692	25.1
191.05574	79.2
201.01692	18.3
211.08038	11.5
213.05475	23.5
229.05064	33.6
231.06659	28.5
237.09201	22.7
269.10223	16.4
415.14093	12.4
459.09210	47.0
477.10168	64.5
477.20526	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	477.1917
Annotation	Bannaxanthone E
Peak:m/z	Relative Intensity
59.01367	1.4
61.98825	10.6
69.58997	2.9
81.55898	1.2
98.20300	1.1
98.22649	2.3
101.57964	1.2
137.02434	3.4
151.04028	2.1
153.05557	2.2
160.01663	3.2
161.02422	2.0
162.03282	2.6
165.01871	3.4
180.04326	2.8
225.09227	4.0
226.51625	1.4
238.09860	2.0
239.10774	8.1
252.07628	1.6
253.08693	5.1
254.09476	3.9
255.10254	2.4
265.08725	4.7
266.09464	8.4
267.10266	100.0
268.11011	82.5
268.13959	3.1
269.11465	5.4
280.07407	1.5
281.11758	9.0
283.13409	5.9
295.09778	6.8
296.10413	10.3
311.12897	93.4
312.13174	4.6
323.12979	2.6
329.11655	1.5
330.12552	3.8
357.11313	7.5
358.12033	4.7
369.11197	1.6
370.11996	2.4
373.10791	2.9
385.10849	2.4
386.11621	7.6
397.10910	5.4
398.11353	4.7
399.12112	2.1
401.10031	1.8
402.11050	21.2
403.11514	2.2
412.12970	1.6
413.13998	2.1
414.11038	5.9
417.13382	11.2
429.13330	34.4
430.13498	2.6
431.14767	1.5
432.15686	21.3
433.16473	2.0
434.17316	2.7
444.15720	28.8
445.16318	2.3
447.18127	28.6
449.19662	1.7
459.18161	45.6
460.18219	3.2
462.16861	34.2
463.16983	2.7
472.13919	1.4
477.19214	60.1
478.19354	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1914
Annotation	Bannaxanthone E
Peak:m/z	Relative Intensity
59.01376	7.8
61.98851	1.2
69.38085	2.0
69.38492	1.3
93.03487	0.7
109.02966	1.3
121.02956	0.6
123.00937	1.6
124.01726	0.9
125.02464	0.9
132.02209	0.7
136.01680	1.3
137.02438	9.2
138.03253	1.7
149.02441	0.7
151.04059	2.1
152.04761	0.7
157.92072	0.6
161.02446	6.3
165.01906	4.0
179.03517	8.4
180.04337	2.6
194.05823	2.8
195.06688	0.8
223.07587	4.4
224.08455	0.9
224.11708	0.6
225.09258	1.0
235.07646	1.1
236.08434	3.6
237.09277	1.4
238.06589	0.8
238.09975	1.1
239.10814	2.7
247.07732	1.0
249.09200	1.8
251.07213	1.6
252.07901	6.9
253.08727	3.4
263.07043	1.2
265.08658	5.2
266.09470	5.0
267.10239	13.1
268.10995	13.7
269.11392	0.9
277.08737	1.4
278.09515	1.7
279.10114	3.2
280.10989	1.6
281.11795	4.3
283.13464	0.7
295.09787	1.4
296.10727	3.1
300.10071	1.0
302.13141	0.6
308.10580	1.1
311.12878	14.8
311.16220	1.1
312.13440	0.9
314.12900	0.7
323.12973	1.2
329.11960	1.7
330.12570	3.9
331.13620	0.6
341.11829	1.7
343.24890	2.7
345.11224	1.1
345.15134	1.9
357.11356	1.2
358.12125	1.8
368.10632	1.0
369.11224	3.0
370.12024	1.7
371.13000	0.8
373.10596	1.9
373.14560	4.3
385.10764	1.7
386.11240	2.8
388.13306	1.8
389.13852	1.4
395.09082	1.2
397.10687	2.0
398.11511	4.4
399.12531	1.3
401.09488	1.0
401.14459	4.3
402.10974	1.5
403.15576	6.3
411.12299	1.3
412.13177	3.3
413.09869	2.1
413.14774	3.5
414.10550	6.8
416.12515	1.3
417.13290	9.9
419.15292	1.4
424.83636	0.7
427.16135	0.8
429.13312	30.5
430.13913	1.7
431.14944	4.6
432.15762	11.1
433.16287	1.1
443.14487	0.7
444.15759	26.1
445.16101	1.4
446.17328	2.9
447.18311	24.1
448.18579	1.6
459.18124	100.0
460.18359	7.7
477.19159	23.0
478.19550	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03444	0.8
59.01378	19.2
60.01682	0.4
60.92969	0.4
61.98824	5.4
67.36608	0.4
69.03453	1.7
71.01377	8.6
72.57923	0.4
72.99309	10.0
73.00003	0.5
73.02947	3.9
75.00846	0.5
76.45033	0.5
83.01384	2.4
84.95072	0.6
85.02945	5.1
86.00073	0.8
87.00846	0.8
87.04518	0.9
88.98786	0.6
89.02449	4.3
89.80002	0.4
93.03485	0.6
95.01369	1.0
95.05038	0.5
99.00861	1.0
101.02441	10.5
111.00810	0.4
113.01703	0.7
113.02446	9.0
115.03995	0.5
118.98080	0.4
119.03493	1.7
131.03491	0.9
135.04506	1.3
138.01967	0.6
139.04013	4.3
155.10727	0.9
159.02911	0.7
161.04520	1.5
173.04616	0.7
183.10257	2.4
191.05548	1.2
201.11238	2.8
227.03560	0.5
230.22128	0.4
243.02956	1.0
253.10500	0.4
271.02533	1.7
285.03894	0.6
286.04669	0.6
299.02161	0.5
314.04263	2.2
315.05118	0.4
315.18362	0.4
345.15472	1.5
352.47552	0.5
363.16574	100.0
364.16876	6.1
417.24710	1.4
477.10223	3.5
477.19305	3.7
477.30795	1.0
478.20456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36777	0.6
53.51072	0.6
53.72606	0.6
55.01870	1.0
57.53518	0.6
58.00608	0.7
59.01379	100.0
60.01744	0.8
61.98829	3.5
64.44952	0.6
68.99809	0.7
69.03452	1.5
69.74193	0.6
71.01380	30.3
71.92988	0.8
72.99293	1.0
73.02946	86.4
75.00867	1.3
81.03473	1.0
83.01385	20.6
85.02950	4.6
87.00894	2.3
89.02448	14.5
93.03445	4.9
95.01388	0.8
97.02945	0.6
99.00893	1.2
101.02442	59.6
111.00875	1.1
113.02444	12.8
119.03522	5.5
121.17046	0.6
125.02500	2.0
127.86904	0.7
131.03523	4.3
136.05324	1.5
137.02434	10.6
143.03520	4.1
149.04596	4.4
149.06117	11.2
150.06865	12.7
150.07967	0.7
151.07674	3.2
154.14339	0.7
155.03546	2.0
161.04544	12.9
175.02618	0.7
179.05688	1.0
203.05618	0.9
218.16777	0.8
221.06673	1.0
227.03632	2.0
237.12982	2.2
240.11530	13.3
240.13847	0.9
242.05890	2.4
255.13907	4.8
257.08197	3.8
273.14963	8.5
331.14917	0.7
417.19522	1.0
435.20331	6.7
477.15588	1.9
477.21600	7.9
477.27591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36929	1.5
59.01373	20.3
61.98827	100.0
70.14200	4.5
71.01400	8.2
73.02934	1.8
84.32780	1.5
85.02956	4.0
87.00890	1.8
88.98780	4.4
89.02425	7.5
93.03410	2.4
93.26058	1.8
95.05009	1.6
98.22559	2.4
101.02412	3.3
101.15351	2.0
110.32149	1.5
111.04657	1.5
113.02464	3.9
119.03457	2.1
120.01292	2.2
130.99092	1.7
137.02470	3.0
137.06020	2.6
139.07614	4.7
146.47978	1.7
147.62675	1.5
177.01941	1.7
183.06612	5.6
191.05583	5.1
201.07561	3.9
238.10872	1.6
315.05014	2.5
363.12921	25.6
477.23361	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.9
60.37091	2.6
61.98828	47.7
70.31685	5.3
70.33956	2.6
78.95902	100.0
93.76904	2.6
96.77999	2.7
96.96973	7.7
146.53369	2.6
152.99559	16.7
162.83948	3.0
171.00624	21.5
218.96092	2.5
279.23282	10.7
294.25632	2.6
477.32254	5.2
478.29388	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66196	3.3
51.28576	2.6
51.37737	3.3
60.29148	2.7
69.21082	18.0
69.60853	2.9
71.01391	5.4
75.00867	100.0
78.95893	4.6
93.00935	4.2
125.87249	3.3
140.01303	3.2
146.26645	3.2
169.41049	3.0
189.32939	3.3
198.32480	3.1
249.01323	3.1
279.23270	32.6
321.24365	5.6
369.04007	3.7
477.32523	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12917	0.4
55.01872	0.4
57.03432	0.7
58.85792	0.4
59.01379	100.0
60.01707	0.6
60.29834	0.5
61.98837	1.5
66.65359	0.4
71.01382	14.5
72.99313	0.5
73.02952	3.7
81.03437	0.5
83.01400	1.5
85.02954	5.1
87.00895	1.1
89.02448	9.7
95.01375	0.9
97.02979	0.5
99.00893	1.2
101.02445	11.2
101.03090	0.6
113.02449	6.4
119.03492	5.2
125.02487	0.5
131.03560	0.7
139.04005	2.5
143.03505	1.3
159.03055	1.0
161.02472	0.8
161.04567	9.1
165.05609	0.6
165.09270	0.4
167.07120	0.7
169.12331	3.2
179.05536	2.5
191.05614	0.5
197.11823	3.5
201.11391	0.6
253.09433	0.6
255.19748	0.5
348.39761	0.5
363.12897	1.7
363.16721	2.2
417.24945	32.5
418.25183	2.4
477.19235	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48420	0.6
57.03440	1.5
59.01377	100.0
61.98828	3.3
65.56027	0.7
66.83822	0.7
67.32008	0.6
69.33085	3.4
71.01377	23.2
72.56298	0.6
73.02943	8.7
82.95383	0.6
83.01398	2.3
85.02946	9.4
87.00862	1.6
89.02449	10.0
90.59785	0.8
93.03470	0.8
95.01416	1.7
99.00891	3.5
101.02439	18.1
113.02459	10.0
119.03532	3.8
131.03642	0.7
135.04495	1.4
139.04024	5.4
140.90193	0.7
143.03548	2.7
159.03021	2.1
161.04564	18.5
161.05840	1.1
179.05647	1.9
191.05917	0.8
196.21416	0.7
255.19824	1.1
329.55969	0.7
363.16653	1.6
417.24930	47.3
418.25500	2.7
459.91577	0.8
462.17062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3219
Annotation	Dolicholide
Peak:m/z	Relative Intensity
61.98854	0.4
65.03982	1.1
71.23392	0.3
81.03491	0.6
82.47247	0.3
88.49914	0.3
93.03457	0.6
95.05070	0.9
96.96018	0.5
97.02969	0.5
98.21854	0.5
109.02976	1.0
111.00918	0.8
121.02963	7.4
122.03741	19.5
123.04527	17.8
124.04922	0.3
125.02448	7.7
125.03289	0.5
136.05312	0.4
136.98860	0.7
137.02446	4.5
138.03223	3.1
139.00403	0.7
139.04010	1.4
149.02417	0.6
151.04013	0.6
153.01961	1.0
159.04500	0.4
165.01915	2.3
165.03008	0.3
166.02715	5.7
167.03488	8.0
167.04883	0.5
167.88589	0.3
169.26411	0.3
173.06090	0.6
174.06868	0.9
175.07661	1.5
177.05568	0.4
179.03564	0.9
193.08771	0.5
199.87230	0.3
206.83023	0.3
219.06709	0.4
221.08253	0.4
237.07750	1.1
277.14615	0.4
319.19128	0.5
347.22339	0.4
363.29102	0.4
406.27136	1.2
407.28006	50.9
408.28391	3.2
447.31030	0.8
459.31131	4.6
460.31546	0.4
475.30209	0.5
477.32178	100.0
478.32483	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	478.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51896	0.4
58.55770	0.4
59.01372	10.7
61.98826	100.0
71.01380	2.2
73.02921	0.5
73.40684	0.4
85.02940	0.6
87.00867	0.5
88.98804	1.7
89.02442	4.6
90.02781	0.5
93.03466	1.1
96.96022	0.6
100.93394	1.4
101.02448	1.6
101.93371	0.6
113.02441	2.0
115.04007	0.5
115.92095	1.2
116.92132	0.7
116.92832	3.4
117.92895	1.2
119.03523	0.8
121.02938	2.1
131.03484	0.4
139.04004	41.7
140.04355	0.9
142.54698	0.4
151.31541	0.4
161.04482	0.5
167.03500	0.5
172.18059	0.5
191.05641	0.9
197.06194	0.4
301.09277	19.4
302.09662	0.6
333.08679	0.7
363.12863	0.7
364.13348	2.2
387.85294	0.5
388.07938	0.4
409.66736	0.4
443.93307	0.5
478.07120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
61.98827	100.0
63.99247	0.3
68.27242	0.3
71.01382	0.6
74.02457	0.2
89.02458	0.5
101.02460	0.6
113.02473	0.2
125.02444	0.4
129.91454	0.2
155.90164	0.2
155.94295	0.2
191.05632	0.8
216.30658	0.2
278.70935	0.2
289.07227	0.5
363.13037	0.5
364.13419	0.7
478.23547	0.4
479.12149	0.9
479.25131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	93.3
61.98825	100.0
71.01390	31.3
73.02933	20.1
75.15444	13.8
81.98598	10.9
82.50570	14.5
84.73600	14.8
85.02939	12.5
89.02450	18.3
94.48946	13.0
96.61471	18.2
96.96038	15.4
101.02451	37.0
113.02440	27.9
120.89655	29.4
121.02960	31.2
125.02445	16.7
161.02370	19.3
161.04599	21.1
191.05661	23.7
255.86908	13.6
258.08997	16.7
259.09357	19.5
267.67484	13.7
273.11313	13.9
274.11633	38.3
502.52878	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	478.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.6
61.98824	14.4
69.30289	4.2
71.01371	3.5
73.02959	1.0
78.41774	0.9
82.88299	0.9
85.02937	1.6
86.42173	1.0
93.03450	4.5
95.01377	1.1
98.22677	1.8
101.02444	2.7
108.02163	2.1
113.02464	3.0
121.02953	77.3
122.03707	3.8
136.05301	1.2
139.03986	2.9
150.03226	2.2
158.03722	3.1
159.04495	3.6
161.04564	4.4
190.89841	0.8
202.02704	11.7
223.01062	0.8
258.08856	2.3
272.10526	37.7
273.11301	100.0
274.11685	3.1
276.04874	1.0
315.12329	4.2
321.09772	3.1
327.12436	1.2
365.08615	4.8
429.84241	0.9
435.16650	9.9
479.11548	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	478.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.01379	100.0
60.01723	0.5
61.98832	3.4
69.03465	0.2
71.01397	0.5
72.00904	0.2
72.99316	0.2
73.02949	0.2
83.01431	0.1
85.02975	0.2
87.00903	0.2
88.04102	0.1
88.98812	0.6
89.02440	2.4
89.99148	0.1
90.02792	0.3
93.03477	0.2
96.96013	0.2
99.92592	0.2
100.93385	0.6
101.02474	0.6
101.93402	0.3
113.02479	0.3
114.02800	0.2
114.05624	0.1
115.92056	0.7
116.92853	1.2
117.92895	0.4
119.03530	0.2
127.04076	0.2
139.03993	1.5
150.93861	0.1
158.04587	1.2
161.04579	0.2
176.05658	0.6
191.05548	0.2
211.79924	0.1
212.80197	0.1
244.09926	0.1
301.09305	0.7
364.13330	0.3
365.18347	0.1
404.17099	1.0
442.05545	0.2
460.22116	0.5
478.07104	0.3
478.21698	0.4
479.08817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.99316	0.4
61.98833	0.8
71.01395	0.6
75.94020	0.4
88.98821	0.9
89.02454	1.4
101.02469	0.6
113.02493	1.0
115.62582	0.4
154.84247	0.4
158.34470	0.5
172.76459	0.4
190.19646	0.5
282.54782	0.5
363.13409	0.6
364.13239	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	478.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.7
61.98829	100.0
71.01382	0.8
77.35941	0.3
82.95428	0.5
85.02940	0.4
89.02473	0.3
93.74163	0.3
101.02505	0.3
113.02412	0.5
125.02417	0.4
128.03494	0.3
146.06137	1.3
151.00406	0.4
176.08408	0.4
182.08249	0.6
190.05165	0.6
191.05637	1.0
220.07463	0.4
235.09738	1.6
243.03101	0.5
244.03337	1.0
271.02374	0.8
272.02847	0.6
286.04678	0.4
299.01575	0.4
300.02359	0.6
308.14987	0.3
314.04269	0.6
315.04803	1.3
316.05389	0.5
327.70627	0.3
364.16895	1.3
478.10678	3.7
478.17819	0.5
479.11047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.59143	0.4
61.98828	100.0
66.00650	0.4
69.75285	0.8
69.75662	1.1
71.01385	0.4
73.84365	0.3
96.96024	0.9
109.02946	0.5
113.86221	0.4
125.02419	0.4
191.05612	1.1
272.03012	0.5
289.07108	2.7
292.81927	0.4
301.03171	0.4
315.04892	0.8
316.05411	0.8
402.75070	0.5
418.24954	0.5
458.18140	0.4
478.10745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
59.23711	0.3
60.01699	0.4
61.98827	100.0
69.24524	1.4
71.01379	0.5
73.02969	0.3
76.03127	0.3
84.22207	0.2
89.02483	0.3
89.09162	0.2
101.02422	0.4
113.02458	0.4
121.03020	0.3
122.03770	1.0
123.04109	0.3
127.55508	0.3
150.08887	0.2
158.33316	0.3
221.07863	0.3
255.10316	1.0
256.10565	1.4
273.11325	1.8
274.11636	3.4
288.60400	0.2
396.05310	0.3
415.23807	0.3
453.83426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
57.90619	0.4
58.96627	0.3
61.98837	2.6
70.97516	0.5
74.94373	0.4
78.95900	100.0
96.96957	8.6
118.69566	0.4
122.22924	0.4
139.58878	0.4
140.01170	0.7
150.97972	0.5
152.99586	19.0
171.00635	18.7
281.24786	1.7
404.25620	2.0
441.55594	0.5
478.29340	60.6
479.29727	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	478.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31878	0.3
61.98846	0.4
71.07339	0.5
78.95898	25.3
96.69929	0.4
96.96942	0.6
112.79373	0.4
122.00091	0.8
126.10710	0.4
140.01189	5.7
152.99567	2.8
171.00656	1.4
196.03775	9.5
214.04791	2.5
281.24838	100.0
282.25143	4.8
478.29340	37.9
479.29523	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05321	0.2
58.72367	0.2
67.08490	0.2
69.29269	1.5
78.95903	8.9
96.96953	0.3
104.36774	0.3
109.60510	0.3
140.01154	1.8
152.99586	0.7
171.00661	1.1
196.03767	0.9
196.05507	0.3
214.04880	2.8
215.63191	0.3
281.24850	100.0
282.25192	4.9
478.29388	14.4
479.29837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18766	0.4
58.62147	0.4
61.98827	100.0
66.31311	0.4
67.99374	0.4
70.26807	0.5
71.07351	0.5
78.95906	7.4
96.97002	0.9
103.15116	0.5
120.66714	0.4
147.74266	0.4
152.99619	1.3
171.00682	1.4
266.19916	0.5
281.24796	3.4
442.56046	0.5
448.89511	0.5
478.29343	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	478.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47977	0.5
61.98829	100.0
69.24260	1.8
78.95901	55.5
83.19585	0.4
96.96956	4.6
149.64015	0.4
152.99591	10.2
162.83939	1.4
171.00636	11.0
193.21251	0.4
210.96890	0.5
262.91422	0.5
281.24817	3.3
281.58289	0.5
404.25595	0.9
478.29367	35.4
479.29498	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	478.9517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49575	0.5
59.01376	1.4
69.38785	2.2
80.35635	0.5
81.06626	0.5
96.95978	1.2
98.21861	0.8
101.49201	0.5
119.93720	0.5
128.21132	0.6
134.96083	14.4
136.94006	35.3
137.94113	0.9
151.92697	1.3
152.91759	13.4
167.90485	0.8
178.95055	75.8
179.95216	2.7
183.10619	0.5
192.95898	0.6
194.92796	31.9
194.95688	1.5
212.93857	2.0
216.46959	0.5
250.93874	1.4
252.91849	1.9
258.18787	0.4
275.60388	0.5
276.97162	0.7
278.95132	0.7
292.94989	7.9
294.92938	10.2
296.17972	0.5
320.96216	8.7
336.93958	100.0
337.94189	4.0
343.88855	0.5
367.81314	0.5
377.29916	0.8
377.79337	0.7
418.82526	1.0
478.94965	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
57.03445	13.2
59.01387	5.3
61.98815	3.3
65.00324	2.9
69.03418	1.0
71.01384	2.8
72.99303	1.0
78.95920	1.4
81.03451	2.6
83.01381	7.6
85.02977	1.2
87.00868	1.7
93.03455	2.2
95.01402	2.0
97.02946	1.6
101.02477	1.4
107.01389	4.5
108.02171	1.3
109.02937	0.9
113.02435	1.5
114.05661	0.9
121.02927	1.0
122.03773	1.4
123.00876	1.5
123.04536	1.8
124.01698	4.0
125.02441	94.4
126.02769	1.6
130.08717	1.5
136.01590	1.1
137.02376	1.5
137.06090	1.2
139.04041	1.9
148.42175	0.8
149.02448	9.6
150.03183	1.0
151.00371	22.0
151.04005	1.2
152.01146	22.3
153.01949	7.2
163.03979	1.5
165.01921	3.4
166.02708	1.1
167.03490	5.4
169.01375	1.0
176.05620	1.2
177.01949	0.9
177.03448	1.6
178.99841	18.2
180.00536	0.9
181.01456	1.0
184.05197	0.8
187.03961	1.6
188.04816	1.4
191.05634	5.8
192.04320	1.1
193.01366	2.2
199.04076	0.8
207.06564	1.5
209.04567	1.8
212.04735	1.0
227.03503	2.4
228.04231	1.0
229.05142	0.9
230.05827	4.1
231.06647	1.8
245.08215	1.2
255.06593	2.1
256.03781	4.6
258.05310	2.4
273.07681	2.5
274.04825	6.9
284.03238	25.2
285.03635	1.7
289.07169	74.1
290.07510	3.0
299.05591	46.4
300.05984	2.0
313.07104	4.1
317.06641	42.6
318.06818	1.0
331.08157	1.9
341.06363	1.8
342.05966	2.0
359.00659	1.0
359.07431	1.2
449.24060	1.3
451.12341	6.7
463.04855	0.9
479.11938	100.0
479.25101	3.6
480.12289	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	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83130	0.5
59.01357	0.8
61.98827	4.7
69.03101	0.5
69.03434	2.8
71.01385	1.1
73.02924	1.2
113.02451	12.0
131.03499	0.8
145.02936	1.6
147.04529	1.2
157.02930	1.5
157.06566	0.9
158.03711	28.2
159.04509	49.0
160.04837	1.5
161.04536	1.6
171.04501	4.8
173.02446	1.0
173.06090	1.4
175.03958	0.8
183.04465	1.1
184.05209	0.8
185.02431	0.7
185.06032	1.0
201.02043	1.0
201.05573	10.1
202.02701	100.0
203.03307	6.4
213.05547	5.2
219.76544	0.5
220.56815	0.5
243.06718	0.5
275.05637	0.8
321.09769	34.3
322.10019	1.3
365.08731	52.5
366.09158	2.6
384.92386	0.6
439.04117	0.6
479.11935	39.0
480.12463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
58.79883	0.6
59.01377	7.9
61.98827	11.5
67.01879	0.7
71.01377	9.1
73.02934	2.1
73.04013	0.5
81.03454	2.9
83.01379	1.1
83.05022	1.5
85.02940	3.8
87.00883	1.2
88.04040	0.8
89.02444	2.1
91.01903	2.0
95.01382	0.9
96.96015	0.9
96.99321	0.5
97.02960	0.4
99.00892	0.9
101.02435	4.8
107.01378	5.3
108.02170	36.2
109.02964	10.3
111.00873	1.5
113.02436	3.1
115.00352	1.1
119.03495	1.3
122.03786	0.9
123.00896	1.6
123.04521	24.0
124.12209	0.5
125.02416	2.4
139.04002	1.0
141.23065	0.6
151.00368	7.1
151.03996	0.8
152.01146	64.5
153.01944	21.5
159.10323	1.1
164.01122	0.6
164.87965	0.5
165.01900	0.6
166.02698	9.1
167.03488	100.0
168.03821	2.0
169.01338	0.7
179.03493	0.7
179.05705	1.0
181.05048	5.8
181.12375	1.1
182.08212	1.0
186.12500	1.4
191.05586	2.4
195.02968	1.2
203.03246	0.6
207.10329	1.2
209.04654	0.6
221.04454	0.6
225.11293	2.2
243.12309	1.6
283.17130	0.5
296.05301	2.5
297.06137	40.9
298.06580	1.1
309.15335	0.6
311.07712	34.6
312.08069	1.5
317.19516	0.6
319.19223	0.8
344.90579	0.5
363.20151	0.8
364.18805	0.9
365.09186	1.3
365.18237	0.9
479.11966	45.3
479.21332	5.8
479.30557	1.6
480.12357	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	479.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	62.1
61.98838	0.7
71.01399	1.5
73.02943	0.4
85.02948	0.6
89.68970	0.3
93.03469	0.4
99.05305	0.3
101.02458	0.9
101.74365	0.3
105.45214	0.3
106.04240	12.7
113.02471	0.9
115.68369	0.3
136.05293	2.3
138.03217	0.7
138.99272	0.3
146.24428	0.3
149.02376	0.4
151.03992	0.7
151.07635	3.2
161.04547	1.2
210.06912	0.8
225.11354	0.4
257.11823	100.0
258.12216	3.8
295.27371	0.3
308.83319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15516	0.7
55.01874	1.4
57.03449	2.5
59.01379	100.0
59.85482	0.8
60.01697	1.0
61.98833	11.5
69.03458	1.2
69.25298	1.8
69.25695	3.4
71.01383	33.2
72.99302	2.8
73.02946	91.6
75.00884	1.8
77.91071	0.7
81.03456	1.1
81.74827	0.8
83.01388	23.9
85.02959	10.7
86.21487	0.8
87.00871	2.3
89.02441	10.8
91.05521	5.4
93.03455	1.5
95.01369	0.9
97.02968	1.4
98.74791	0.7
99.00881	1.0
99.04529	2.9
101.02441	59.1
105.09818	0.8
107.05027	2.0
109.02916	1.4
109.06577	1.3
111.00932	1.7
111.04533	1.8
113.02450	10.6
115.04093	0.8
119.03497	6.0
120.05818	1.7
121.06586	0.9
123.04555	6.2
125.02493	2.5
125.06068	5.5
127.03949	1.8
131.03525	4.4
135.04565	2.3
137.02437	0.8
137.06067	2.1
138.03262	3.1
141.01942	1.1
143.03534	4.2
147.04492	0.9
148.05313	3.4
149.04558	3.7
151.04008	31.4
152.04799	41.0
153.05588	9.2
155.03499	2.9
161.04564	10.2
161.09715	1.0
163.03943	1.1
165.05569	1.2
166.06349	3.6
179.05597	1.8
185.09746	1.1
189.09169	0.9
191.05615	2.4
195.11775	1.2
197.09723	2.8
199.07701	1.8
203.10782	2.7
211.11293	2.9
213.09250	1.1
215.10760	3.7
221.06607	1.0
224.08447	4.7
227.10869	1.8
229.12326	5.8
239.10779	50.7
240.11098	1.8
241.08676	2.1
242.09508	7.9
257.11835	58.2
258.12137	2.8
271.13428	3.3
275.12888	33.7
276.13242	1.5
299.12778	1.8
356.11255	1.5
419.17154	2.6
437.18109	9.4
479.19385	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	479.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21880	1.1
57.03437	1.3
59.01111	1.7
59.01381	19.6
59.91051	1.1
61.98832	12.1
71.01377	26.0
71.02494	3.2
71.43417	1.1
73.02942	2.1
73.04070	7.5
78.99331	0.9
81.03445	3.1
83.01376	3.2
85.02939	3.6
87.00874	3.5
88.04028	12.2
89.02434	2.3
91.01869	2.6
93.03439	3.0
96.96013	13.6
97.02927	1.2
99.00875	3.2
99.30679	1.1
101.02428	6.5
103.05122	3.3
107.01384	2.8
108.02172	20.0
108.38035	1.0
109.02927	7.9
110.03595	1.4
112.07767	1.5
113.02431	4.9
114.01967	1.6
115.00376	20.6
116.05098	1.7
118.06640	1.4
119.03501	1.8
120.99641	1.3
122.45821	1.2
123.00866	2.5
123.04516	16.5
124.04898	1.6
125.02382	4.0
125.09780	1.5
129.10321	9.7
132.03030	14.1
137.02428	1.3
140.89732	1.3
141.10350	1.6
146.06122	6.6
147.04480	2.6
151.00299	3.3
151.08763	1.5
152.01140	33.4
153.01932	9.2
161.04520	1.1
163.08759	1.2
163.11305	1.3
164.07166	5.2
166.02718	6.4
167.03490	57.9
167.05769	5.0
167.10558	1.9
168.03825	2.8
168.11392	3.2
169.09821	2.6
176.51413	1.2
179.03496	1.2
181.04999	3.0
181.12302	4.0
186.12491	28.7
191.05545	7.3
195.02853	1.2
198.12628	1.7
199.13354	4.3
207.10234	5.3
209.04550	2.9
210.04822	3.2
213.25009	1.2
216.13646	1.3
224.12657	3.3
225.11290	11.9
233.16631	1.3
239.05630	1.2
241.13507	3.5
243.12299	7.6
258.16013	2.8
294.80493	1.4
297.06146	21.6
299.02039	1.4
299.13165	7.9
311.07742	18.8
315.18170	16.6
329.08884	2.6
333.19315	14.1
345.19183	3.0
357.09683	5.0
358.10059	4.0
359.10327	13.0
363.20319	18.1
364.18729	34.1
365.18216	3.9
388.11047	2.6
389.11371	7.8
405.21271	2.2
435.22235	3.2
437.24051	1.2
443.28574	2.1
461.19818	1.6
479.11945	22.7
479.21255	100.0
480.12094	1.4
480.21625	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	479.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01121	1.2
59.01378	17.0
61.98830	13.8
65.35187	1.3
67.01879	1.1
69.03423	1.2
71.01379	25.5
71.02496	2.5
73.02932	1.6
73.04058	7.3
74.85828	1.1
76.50885	1.1
83.01370	2.1
85.02933	3.4
85.04072	1.8
87.00849	3.8
88.04039	18.0
89.02428	3.7
89.46835	1.0
91.01867	1.4
93.03450	3.0
96.96006	15.4
97.02936	2.4
99.00849	3.7
101.02434	6.7
103.05106	2.1
107.01353	3.2
108.01548	1.6
108.02174	15.4
109.02981	5.3
111.00847	1.6
112.07661	1.2
113.02421	4.6
114.01928	1.1
115.00370	26.9
116.05035	3.2
119.03490	1.1
120.99657	1.3
123.00888	1.2
123.04528	11.4
125.02433	3.5
129.10335	13.5
132.03026	17.3
137.02417	1.8
140.07068	1.4
141.10301	2.3
146.06111	8.4
147.04488	3.0
151.00331	4.1
151.03926	1.3
151.08727	2.2
152.01144	28.0
153.01924	10.7
155.08182	1.8
163.08723	1.8
163.11186	1.9
164.07088	6.3
166.02679	3.1
167.03493	46.8
167.05603	5.8
167.10545	2.2
168.03845	1.9
168.11371	3.2
169.09763	2.0
178.66313	1.2
179.05682	1.4
181.05025	2.3
181.12303	1.9
186.10875	2.1
186.12460	32.9
191.05592	5.6
198.12366	1.5
199.10832	1.6
199.13268	3.2
200.07065	1.1
203.03134	1.3
207.10321	5.4
209.04495	2.4
218.08121	1.3
224.12715	4.4
225.11317	10.4
235.10742	1.4
241.13335	3.5
242.11777	2.8
243.12306	6.8
258.16025	3.5
276.16934	1.5
293.85208	1.1
296.05460	1.8
297.06122	16.5
299.01956	1.8
299.13199	7.3
311.07700	16.2
315.18216	15.6
316.18243	1.5
327.18344	1.5
329.08713	3.3
333.19263	15.6
334.18024	1.0
345.19171	2.8
357.09607	1.6
359.10229	5.9
363.20355	21.9
364.18741	34.4
365.18277	4.3
374.38632	1.2
387.11050	1.9
389.11255	4.2
405.20963	1.6
417.21442	1.4
432.04178	1.2
435.22519	6.8
461.20313	2.5
479.11862	11.6
479.21146	100.0
480.12451	1.4
480.21478	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	479.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
59.01379	23.1
61.98830	8.8
64.45558	0.7
69.46977	1.0
69.47389	2.5
71.01379	11.7
73.02941	2.0
82.49992	0.6
83.01384	1.4
85.02955	4.2
87.00847	1.7
89.02436	6.7
93.03442	1.6
94.91231	0.7
95.01315	0.7
99.00876	0.8
99.08123	0.8
101.02443	8.2
101.98069	0.7
113.02406	3.4
116.92809	0.8
119.03493	1.5
123.04514	1.0
125.02448	1.5
137.02405	1.7
154.94835	0.7
165.05556	2.2
174.04868	0.7
191.05638	1.6
202.02690	3.1
209.04718	0.8
237.18611	2.0
239.16466	5.4
243.12256	1.0
255.19629	7.6
257.17572	24.7
258.17883	1.0
299.18582	1.1
317.19897	0.7
337.60684	0.8
345.22794	1.7
365.08868	3.0
365.18378	0.8
401.21777	1.9
417.24915	5.4
419.22830	26.0
420.23193	1.3
443.28656	1.4
461.24002	2.9
479.24951	100.0
480.25314	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	479.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	12.4
59.04800	9.4
59.80667	11.1
61.98827	100.0
62.10431	10.5
70.89911	16.8
78.95876	18.3
93.60458	9.7
116.92811	17.7
150.11667	10.5
197.59105	13.1
214.71912	10.7
281.25031	15.3
307.30035	66.2
351.28885	28.5
369.30075	56.4
370.30170	15.1
443.33716	98.4
459.58026	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	479.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.98834	10.2
69.25163	10.3
116.92876	2.9
148.90660	1.8
197.64261	1.7
230.61955	2.0
238.77702	2.1
281.25003	5.0
305.73166	2.2
307.30048	58.0
308.30273	3.9
336.75134	1.9
340.80667	1.7
351.28983	31.3
351.32925	3.1
352.29218	2.2
369.30075	67.0
369.34729	3.8
370.30386	3.8
413.84384	2.1
443.33762	100.0
444.34048	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	479.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94089	1.8
64.36819	1.7
72.42742	1.5
84.52338	1.4
84.88040	1.4
114.29471	1.6
133.38914	1.5
137.09711	7.4
139.11215	1.5
143.62926	1.5
155.10776	100.0
171.10260	15.2
189.51340	1.7
199.09750	34.0
201.11345	2.1
217.10786	65.9
218.11154	2.2
237.25858	1.4
249.73334	1.5
250.87926	1.4
279.23273	41.0
280.23306	2.0
479.33719	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3377
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
61.71040	0.8
61.98830	1.3
63.88568	0.8
64.43774	0.8
69.34736	4.3
82.25122	1.1
95.01402	1.3
96.96021	1.0
98.22578	1.6
106.04243	15.5
107.05032	14.1
109.02953	4.5
110.35085	0.9
119.04988	1.1
121.02962	5.5
122.03722	2.0
135.04497	2.0
137.02452	1.1
140.55530	0.8
143.05003	1.0
147.38991	0.8
150.03235	9.6
151.03998	8.5
158.07326	2.0
159.08203	1.5
161.06042	2.0
176.08438	1.4
203.07225	1.7
215.26022	0.9
221.08226	1.2
363.98328	1.2
391.28497	57.7
392.29028	4.5
403.28427	2.2
414.15982	1.1
433.22742	1.0
443.31790	7.3
461.32635	14.7
462.33249	1.2
479.33749	100.0
480.34097	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	480.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21973	0.4
56.65526	0.4
58.93925	0.4
59.01384	3.1
61.98830	100.0
71.01395	1.2
71.42117	0.4
74.35880	0.5
78.56649	0.4
78.95903	2.7
83.86191	0.4
84.37511	0.5
85.02924	0.5
89.02447	0.8
93.03458	0.7
98.71243	0.4
101.02460	0.7
113.02467	0.9
119.03532	0.5
133.02977	0.6
151.04019	0.7
152.99597	1.4
157.26479	0.4
161.02521	0.6
171.00720	0.5
173.04510	0.4
191.05643	0.6
206.75290	0.5
218.12126	0.4
228.11186	0.5
238.29762	0.4
239.10783	0.8
257.11899	1.9
258.12241	1.6
437.18259	0.8
444.16962	1.1
480.20477	1.0
480.26779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49561	0.4
59.01379	2.3
61.98830	100.0
69.17487	0.7
69.17873	1.2
71.01383	0.5
72.45671	0.4
77.76376	0.4
87.00912	0.4
89.02460	0.6
92.05074	0.4
96.96024	1.1
97.02960	0.4
99.90334	0.4
113.02462	0.4
139.04015	0.4
167.26512	0.4
187.15318	0.4
191.05794	0.5
207.21994	0.4
257.11890	1.0
259.13379	0.7
306.07791	0.4
329.17911	0.3
480.13025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87134	0.5
59.01380	100.0
61.98828	4.9
88.99825	0.6
101.17412	0.5
120.57688	0.5
152.99658	0.6
176.48442	0.5
198.74248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07364	0.3
59.01389	2.0
61.98825	100.0
62.98519	0.3
71.43453	0.3
79.65331	0.3
87.00880	0.4
96.96021	1.0
100.46360	0.3
113.02434	0.8
124.70228	0.3
146.06120	2.1
150.93018	0.3
162.83931	0.4
167.19185	0.3
191.05629	0.9
367.07086	0.7
393.13959	0.4
481.15439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01725	0.7
61.98845	1.4
70.04713	1.3
70.05082	1.2
70.26504	0.7
71.01396	0.7
89.02452	0.6
99.47410	0.6
111.26691	0.5
125.02457	1.2
146.06120	0.7
163.45747	0.6
191.05646	1.1
192.85890	0.7
201.11270	0.6
388.21429	1.0
420.23779	1.1
481.27332	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	480.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98831	4.1
67.51077	0.4
69.03518	0.4
69.21986	1.0
69.22391	1.9
75.00887	0.6
83.00632	0.4
88.49501	0.3
98.22582	1.0
108.02162	0.4
138.59395	0.4
162.11075	0.4
181.40059	0.4
184.60097	0.4
191.05786	0.6
195.03683	0.4
195.59793	0.4
225.51750	0.4
344.22595	0.4
352.06082	0.4
388.21417	1.0
420.23840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68427	0.3
59.01378	100.0
60.01718	0.4
61.98830	16.4
69.31328	1.7
69.96674	0.3
71.01391	0.9
73.02958	1.0
75.00865	3.2
78.91087	0.3
87.00875	1.7
88.65005	0.3
89.02425	0.5
89.76232	0.3
101.02449	0.8
113.02504	0.4
120.99574	0.4
133.84972	0.3
158.18872	0.3
179.07191	0.3
187.11353	0.4
191.05653	0.7
231.10112	0.4
420.23831	1.1
480.19370	0.5
480.25665	1.9
481.17273	0.8
481.26624	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	480.3093
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98831	15.1
71.83884	1.3
78.95897	18.1
80.85713	1.2
86.04837	1.2
97.42776	1.1
105.18414	1.3
140.01172	4.0
152.99554	1.8
164.81566	1.2
176.24553	1.3
196.03775	8.3
214.04924	2.9
273.87869	1.3
283.26422	100.0
284.26825	6.1
333.40405	1.6
352.73349	1.3
480.30920	33.6
481.31256	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	480.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98826	100.0
117.83835	0.5
129.62782	0.6
138.37616	0.5
155.03610	0.5
162.53767	0.7
210.03502	0.5
257.55081	0.5
266.60715	0.5
268.28143	0.6
364.50986	0.5
444.89276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01380	8.6
61.98829	0.3
63.24130	0.2
67.01856	0.3
69.74454	0.4
69.74805	0.6
71.01385	3.5
73.02976	0.2
75.00871	1.3
80.55053	0.2
83.01428	0.3
84.93858	1.3
85.02954	0.8
85.54156	0.2
89.02443	3.1
95.15587	0.2
96.96011	0.6
98.95580	0.8
99.00909	0.4
99.35020	0.3
99.92582	11.1
100.93361	12.4
101.02446	1.9
101.93399	0.5
103.00371	0.5
105.83533	0.2
113.02444	1.2
114.94948	0.3
115.92078	14.2
116.92860	100.0
117.92884	3.2
119.03490	1.6
140.92874	0.6
141.93678	1.2
142.94435	1.4
156.92276	0.5
157.06651	0.3
158.93936	0.4
159.08144	0.8
170.93837	0.2
183.94684	0.6
184.91867	1.7
184.95480	0.4
185.92570	0.3
196.95517	0.3
211.94202	0.3
241.94984	0.3
244.97615	0.5
247.72934	0.2
257.11835	0.3
259.96112	0.3
275.12891	0.7
277.14453	0.3
345.96030	0.3
359.02319	0.8
360.03070	0.3
377.03311	3.2
378.03745	0.3
395.04364	3.6
395.09247	0.2
407.04431	0.5
419.04526	1.6
437.05441	3.9
445.02185	1.8
480.30804	0.4
481.04428	10.4
481.16962	4.0
481.26450	1.5
482.04572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1653
Annotation	Flavanthrin
Peak:m/z	Relative Intensity
61.98822	3.4
71.42698	1.5
78.95895	8.6
90.54373	1.1
100.99564	1.2
152.99580	14.5
157.06573	1.4
165.12903	1.4
171.00697	2.5
183.08203	1.5
185.06068	2.2
187.03899	1.6
197.25667	1.3
199.07607	1.2
201.05630	1.2
202.06383	1.4
211.07605	14.8
212.04974	1.3
213.05617	5.4
213.09187	2.9
214.02654	1.7
214.05904	1.5
215.03561	7.0
216.04318	2.2
218.05711	2.2
226.06285	1.8
227.03255	3.0
227.07123	3.6
229.05077	2.7
239.07115	21.8
239.10846	1.5
240.07841	2.8
241.08669	19.4
243.03014	2.2
245.04489	1.8
251.07254	3.3
253.08745	1.4
253.21709	100.0
254.22093	3.5
257.04590	11.1
265.08630	2.6
271.06216	1.8
277.08786	1.8
279.10251	3.4
285.04025	38.1
286.04404	1.6
299.05652	4.2
303.10022	1.7
305.08151	4.1
306.08929	3.3
307.09711	5.5
309.11292	3.2
318.12711	3.4
359.09167	1.4
376.09494	8.6
397.14590	2.0
409.17978	2.5
437.17224	1.9
453.17044	9.6
481.16632	35.6
481.25732	30.8
482.16794	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17917	2.3
57.03437	3.9
59.01376	48.4
61.98827	35.0
63.46294	2.0
68.51138	1.9
69.03440	5.2
69.06987	11.9
71.01379	24.8
73.02948	6.2
75.00865	12.7
81.03450	2.4
83.01354	2.2
83.05015	2.1
85.02934	14.1
87.00884	5.7
88.98850	2.6
89.02443	14.3
93.03465	14.2
95.05037	4.3
97.06586	3.0
99.04517	2.7
101.02427	14.8
105.03468	8.5
106.04278	2.4
109.02919	3.5
111.04502	10.5
113.02448	32.5
116.92867	5.6
118.07655	2.0
119.03513	5.3
120.78804	1.9
121.02962	5.9
123.04553	4.0
130.99355	2.0
133.02953	73.8
134.03743	97.0
135.04550	29.6
137.02435	22.6
139.04004	36.5
155.03481	10.3
159.03052	2.9
161.02432	3.6
161.04555	10.1
163.04102	2.6
173.04549	26.9
177.01923	74.9
178.02708	70.6
179.03441	13.8
179.05582	3.3
187.07643	3.2
191.05600	52.3
202.06206	3.1
213.09267	2.6
231.10222	18.7
275.09241	100.0
276.09543	5.0
306.07437	8.1
307.11856	41.7
331.17587	24.0
351.06747	2.9
395.28598	2.4
421.20547	5.4
425.59692	2.3
433.47342	2.6
445.20453	2.6
449.14511	37.6
450.14783	3.1
481.16946	15.0
481.26434	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88939	0.3
59.01371	1.4
61.98817	1.0
67.01891	0.5
68.54263	0.3
70.44130	0.7
73.02894	0.4
77.86162	0.4
83.05014	0.8
85.02952	0.8
90.73462	0.4
93.03454	3.9
97.06596	6.4
98.21989	0.5
104.35716	0.4
105.03474	0.7
106.04237	0.6
111.04523	3.9
129.01909	0.4
133.02942	3.8
134.03737	100.0
135.04556	9.6
137.02443	1.3
139.04007	0.5
144.42694	0.4
147.70808	0.4
155.03510	4.2
173.04529	8.4
177.01930	5.7
178.02708	18.9
179.03468	2.0
187.07703	0.7
191.05605	3.7
231.10310	3.8
267.93204	0.3
275.09241	4.8
307.11856	94.3
308.12207	4.7
481.17136	6.3
482.18011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74815	0.4
57.03439	1.2
58.00608	0.4
59.01376	2.3
60.99305	3.8
61.98809	0.4
65.01054	0.3
67.01885	11.2
69.03452	2.7
69.85596	0.6
69.85928	0.8
71.01376	4.6
81.03439	2.1
83.05024	1.7
85.02951	1.1
87.00875	13.5
93.03456	75.2
94.03806	1.0
97.06596	1.1
99.00848	0.7
99.04533	1.5
101.02431	0.5
109.02921	1.0
111.00870	0.7
111.04513	10.8
113.02452	1.2
115.04001	0.5
129.01958	1.5
133.02962	2.4
134.03745	21.7
135.04527	2.6
137.02434	3.1
139.04021	1.3
143.03488	0.9
155.03505	4.7
173.04543	100.0
174.04904	1.3
177.01929	2.2
178.02695	6.5
178.48076	0.4
179.03430	1.0
191.05638	1.6
194.16661	0.4
206.42821	0.5
231.10313	1.3
275.09222	2.4
307.11893	7.8
449.14508	9.1
481.17123	31.7
482.17853	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90513	0.3
53.05759	0.3
61.72048	0.3
61.87856	0.3
69.03455	0.6
69.55621	1.1
85.54164	0.4
93.03446	2.0
99.32558	0.4
99.55611	0.4
106.04244	23.2
107.04562	0.4
111.04494	0.4
113.02441	1.2
116.59269	0.3
138.03244	0.6
150.03236	2.4
161.09726	37.2
162.10069	1.3
173.04529	2.1
178.02927	0.3
196.54086	0.3
205.08690	100.0
206.09023	3.8
242.81790	0.3
279.20761	0.4
336.55023	0.4
367.13992	0.6
429.19904	0.4
449.14331	0.8
481.16904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.8
61.98823	4.1
66.16438	0.9
66.99176	0.9
69.03465	1.0
71.01370	3.3
73.02939	1.1
85.02955	1.4
87.00886	1.2
89.02428	2.4
96.95996	1.1
97.02936	1.1
98.95616	1.2
99.92597	3.5
100.93345	3.4
101.02464	2.8
109.83972	1.1
113.02406	1.8
113.06088	1.6
115.92067	4.1
116.92858	9.0
119.03511	1.7
119.05029	1.3
134.03700	1.1
136.01651	2.3
137.02443	1.3
142.51970	1.3
151.04007	3.9
153.05571	4.9
154.99883	1.6
157.05009	1.5
161.04500	1.1
163.03886	1.2
191.05589	1.7
212.04623	1.1
213.05586	7.5
223.03896	1.5
224.04831	1.2
241.05051	61.4
242.05573	1.4
256.07391	43.2
257.07684	2.0
259.09698	2.0
271.09753	100.0
272.10242	5.2
273.77084	1.0
305.81635	1.1
319.04953	0.9
319.11798	16.3
320.12415	1.2
421.20529	2.4
445.04373	2.3
481.06699	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01380	3.5
59.67474	0.3
60.99314	0.8
61.98824	0.5
67.01888	1.6
69.03449	0.7
69.17250	0.7
69.17664	1.3
71.01374	1.8
73.02951	0.4
81.03456	0.4
83.05042	0.6
84.66099	0.3
85.02947	8.2
87.00875	4.0
89.02451	0.4
93.03458	10.9
99.04501	0.5
101.02431	0.8
108.02151	0.8
109.02932	1.2
111.04526	2.1
113.02477	0.8
121.02952	0.5
121.04520	0.3
122.63051	0.3
127.04037	2.1
129.02025	0.3
135.04585	0.3
151.03979	0.5
155.03488	1.0
159.04471	0.8
171.03001	0.6
172.05283	0.5
173.04565	5.0
173.05988	0.6
174.06921	0.4
187.03961	1.4
187.07617	6.8
187.11380	0.3
189.89859	0.4
191.05615	100.0
192.05962	2.2
200.04753	0.7
202.06351	3.3
203.10815	0.5
213.09230	1.8
214.38235	0.3
215.07138	1.1
228.04266	0.5
231.10255	4.2
245.11696	0.4
257.08173	4.7
259.09769	1.9
263.12881	0.8
275.09256	4.0
289.10733	1.2
307.11841	1.9
366.74536	0.4
407.18665	0.5
449.14523	11.6
450.14828	0.6
481.17322	1.9
481.27011	3.2
503.63562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75171	0.4
59.01377	18.4
60.01715	1.4
61.01801	2.3
61.98828	100.0
71.01369	2.0
73.02950	0.7
75.00866	0.4
79.02003	0.4
83.05025	0.4
85.02950	1.0
87.00922	0.5
88.98795	0.5
89.02454	2.3
93.03459	1.1
96.96032	0.7
99.00909	0.6
101.02426	2.0
111.04490	0.7
113.02468	1.2
119.05030	1.9
124.59392	0.5
139.04037	1.1
161.04509	0.5
163.04062	1.7
172.85770	0.4
191.05611	1.9
201.11336	5.1
209.11838	8.2
227.12953	1.5
245.08296	0.5
253.09372	2.5
259.09918	0.4
271.06125	0.5
319.05005	0.4
319.08386	1.2
367.16058	0.7
459.85464	0.4
481.13583	0.9
481.26620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25066	3.4
56.48649	3.5
57.02465	3.3
58.74152	4.0
59.01387	28.3
61.98829	100.0
69.09911	23.8
71.01385	9.2
71.30885	3.5
73.02947	6.6
73.04028	4.5
75.00864	53.1
78.95899	9.5
85.02979	6.4
89.02442	6.6
93.03452	3.9
97.02940	5.2
98.21889	8.2
101.02432	9.4
111.04462	3.7
113.02424	6.8
126.06760	6.8
128.45638	3.3
133.02959	6.1
139.04091	3.4
144.07788	15.1
151.34171	3.4
152.99594	15.3
161.02370	12.0
168.07729	9.6
173.04523	10.6
186.08812	28.8
191.05550	6.7
325.37286	3.9
375.26141	3.5
413.24002	30.6
443.25128	23.0
445.20721	12.4
449.76907	4.1
481.18256	23.5
481.26434	53.4
482.26932	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	481.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.6
57.77187	3.5
59.01383	53.8
60.39364	3.5
61.98829	35.3
70.71081	3.2
71.01379	73.5
71.31059	3.9
71.42750	5.2
73.02959	28.9
73.38912	3.7
75.00871	4.3
80.91697	4.1
81.61432	4.2
82.95405	4.8
83.01385	15.3
85.02943	40.6
87.00895	10.3
89.02427	12.4
89.05260	3.9
93.03457	21.5
95.01404	6.7
96.96007	4.7
97.02966	3.7
99.00882	11.4
101.02435	48.2
111.04482	4.4
113.02449	43.0
125.02425	4.8
131.03470	8.8
134.03780	6.0
137.02483	5.1
146.06155	7.3
159.03017	4.3
161.04572	35.9
161.09756	6.9
173.04570	11.8
191.05614	13.6
193.05023	12.7
203.67775	5.0
205.08693	17.9
236.82541	3.7
275.12039	8.6
289.16544	100.0
289.19742	6.8
319.10788	5.0
331.17609	7.6
421.20740	95.4
422.21021	5.6
426.68149	4.5
445.20724	7.9
481.16812	8.8
504.59015	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	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03438	1.2
59.01380	23.4
61.98825	7.5
66.62759	0.7
67.03006	2.3
69.30286	4.1
71.01382	11.7
73.02944	2.6
81.03427	1.8
83.01381	1.5
83.05028	4.5
84.02170	0.8
84.32395	0.7
85.02935	3.7
85.52370	0.8
87.00854	2.5
89.02448	10.1
93.03471	2.4
95.01437	0.9
95.05042	1.1
99.00887	1.3
101.02438	9.9
111.00859	1.2
111.01993	3.5
111.14018	0.8
113.02457	4.8
113.06084	2.3
116.92880	1.9
119.03497	3.0
125.09713	2.5
127.03960	1.6
127.11294	2.4
129.05598	0.9
137.02402	1.4
139.04007	10.4
143.03534	1.1
146.08247	0.8
149.04570	1.0
155.10794	0.9
159.03056	1.0
159.04472	1.0
161.04541	3.1
163.03979	0.9
163.11232	3.0
165.09259	1.0
165.12859	2.5
167.03450	1.4
173.04543	1.3
173.95996	0.7
179.05569	2.0
187.07658	2.5
191.05640	12.0
191.10751	1.2
197.04590	2.0
201.04031	3.6
201.11317	49.9
202.11642	1.6
209.11824	100.0
210.12196	3.8
213.09351	0.8
227.12883	21.5
231.10170	2.0
235.08147	1.4
241.05026	3.7
253.09280	30.3
256.07388	2.4
271.09781	5.9
275.09216	3.4
319.12015	1.0
319.21216	2.2
437.20279	4.1
449.14584	1.6
481.08008	1.2
481.27216	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	481.238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80222	0.6
68.99800	0.6
70.95913	1.1
78.95864	2.0
82.38982	0.6
86.25166	0.6
91.05491	0.9
107.05006	0.8
121.06569	5.9
134.03706	2.4
134.43068	0.6
135.04485	2.1
136.05281	1.1
147.37354	0.6
148.05301	11.0
149.06075	62.1
150.06702	1.0
152.99527	1.6
162.06779	0.9
163.07616	0.7
171.10222	0.7
175.04016	0.9
175.07594	1.0
176.04745	1.0
176.08411	1.7
189.05547	9.3
203.07123	16.3
204.07901	3.8
225.09161	5.3
226.09981	0.8
227.10693	3.9
239.10759	56.3
240.11533	100.0
241.12199	13.6
245.04135	1.0
246.16852	0.6
253.08482	0.9
253.21738	1.1
267.10376	1.3
267.13916	2.1
280.11078	5.5
281.11685	3.6
294.12695	5.9
295.13379	42.3
296.13751	1.7
373.16379	0.7
395.23825	0.7
437.20877	3.1
439.22949	2.1
463.23059	1.4
481.23950	65.3
482.24167	6.0
502.56396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89898	0.7
55.67490	0.7
69.75066	2.8
78.95896	45.4
85.08713	0.9
96.96950	4.1
152.99582	64.8
159.56776	0.8
165.31824	0.7
171.00613	18.3
227.03285	4.3
245.04286	100.0
246.04744	2.0
253.21725	62.0
254.22166	1.9
318.08466	1.1
342.83331	0.8
447.70718	0.8
481.25735	50.6
482.26010	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	481.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03446	0.9
57.94466	0.9
58.00602	0.9
59.01377	59.0
60.01686	0.9
61.98829	15.0
67.01865	0.8
69.44595	3.6
71.01382	18.6
73.02940	6.2
75.00902	0.9
75.28477	0.9
77.35465	0.8
78.95907	1.8
80.02677	0.7
81.03424	0.9
83.01382	2.7
83.05022	3.7
85.02952	12.0
87.00858	2.4
87.93466	0.8
88.98808	1.8
89.02448	11.1
93.03443	5.4
95.01373	1.4
95.05019	0.8
96.96012	3.5
97.02953	0.8
99.00867	2.0
99.92589	2.7
101.02444	18.6
109.02921	1.9
111.00850	1.3
111.04507	1.9
113.02460	8.7
114.93422	2.4
116.92850	3.1
119.03511	4.1
119.04964	1.1
125.02431	0.8
125.09679	1.6
127.04043	1.1
127.11314	1.5
135.04503	1.7
137.02444	1.9
139.03975	2.1
143.03462	1.3
147.04500	1.0
149.04544	1.6
151.03998	2.0
153.05557	2.5
155.03609	1.5
158.03714	1.1
159.02998	1.8
159.04462	1.9
159.08125	1.1
161.04524	4.1
163.11310	1.0
165.12868	1.5
173.04550	5.6
173.05952	1.6
179.05527	1.5
187.04027	1.4
187.07637	13.5
188.08192	0.9
189.09235	2.7
191.05612	37.3
201.05579	1.2
201.11316	29.2
202.06375	4.0
203.10756	1.2
204.16003	0.9
209.11823	55.7
210.12096	1.9
213.09207	1.1
215.07141	1.4
227.12885	10.3
229.17892	0.9
231.06621	1.6
231.10275	8.1
253.09261	13.2
259.09824	1.7
259.19058	1.2
263.09180	1.0
263.12805	2.2
265.05032	1.2
275.09268	16.0
301.20209	1.5
307.11841	2.8
319.21140	2.1
329.96045	1.0
345.98914	0.9
359.22910	0.8
367.19949	1.0
402.37350	1.0
421.24481	2.7
437.20370	1.4
449.14493	6.8
463.25473	2.4
481.26550	100.0
482.26904	6.1
502.40976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90205	4.8
61.98820	7.6
71.44544	5.1
78.95901	52.4
81.98174	4.4
84.54617	4.8
92.44127	5.2
92.44771	4.9
99.07358	4.3
152.99561	65.3
171.00629	17.9
245.04285	100.0
253.21758	61.5
279.23251	11.5
425.55640	5.9
481.25687	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.9
61.98814	2.1
69.03447	8.9
71.01366	3.5
72.99303	18.6
80.05168	0.9
84.77065	0.8
85.02929	3.2
87.00877	1.1
98.05152	0.8
101.02431	2.0
113.02447	59.3
125.02438	1.2
132.04549	70.4
133.04893	1.7
144.04546	100.0
145.04878	2.6
159.02887	0.9
160.04057	1.1
161.04558	3.5
162.05624	6.9
188.03523	2.1
191.05579	3.3
206.04527	2.5
214.08795	1.5
232.18639	0.8
258.07651	18.3
294.09833	26.4
295.09988	1.0
306.09818	2.0
324.10825	6.3
332.17560	1.0
350.08783	15.1
359.43863	1.0
368.09634	2.2
406.22430	1.2
420.12933	1.1
464.11954	17.3
465.12170	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	482.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81178	11.1
59.01370	18.5
61.98825	100.0
68.86029	11.6
71.01372	17.8
78.87241	13.4
80.91675	17.5
83.22838	14.1
91.78371	12.6
93.03473	15.1
99.54672	12.2
113.02432	15.9
165.05531	13.2
173.04362	15.0
241.85272	12.1
302.14508	29.0
319.15396	15.4
320.15765	24.6
432.16565	31.4
446.17911	26.0
470.60471	16.9
482.22189	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	482.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98826	100.0
64.06469	0.2
69.28984	1.3
71.01373	0.2
91.32923	0.2
141.01007	0.2
158.23706	0.2
257.11737	0.3
258.12296	0.3
314.25510	0.2
316.67007	0.2
387.60193	0.2
466.53424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.2
61.98828	100.0
64.57558	0.3
67.95935	0.3
69.23405	1.7
69.80283	0.3
71.01381	1.5
78.95893	0.6
79.57047	0.3
80.61452	0.3
89.02453	1.4
101.02435	1.3
106.62389	0.3
113.02456	0.8
119.03522	0.5
136.05338	0.4
152.99603	0.8
153.50800	0.3
167.76979	0.3
173.78569	0.3
258.12082	0.5
297.59128	0.3
303.12448	0.9
305.15042	0.3
350.01352	0.3
470.70126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.6
61.98829	100.0
69.03452	0.3
71.01380	4.3
73.02944	11.5
77.28982	0.3
77.36845	0.3
83.01379	2.5
85.02972	0.7
89.02449	1.7
91.22556	0.3
101.02441	8.7
113.02454	3.1
119.03531	0.6
131.03502	0.7
132.97266	0.3
143.03514	0.8
149.04599	1.2
153.85866	0.3
155.03508	0.6
161.04567	2.8
172.28157	0.3
173.04576	0.4
173.16594	0.3
191.05637	0.5
199.94487	0.3
221.06664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.1
61.98829	100.0
67.01890	0.3
69.03461	0.5
70.62985	0.7
71.01384	6.0
73.02946	14.1
74.12540	0.3
83.01392	3.1
85.02966	1.1
85.69410	0.3
87.00881	1.3
89.02441	3.6
93.03455	4.2
94.03800	1.1
101.02440	10.4
111.04538	0.3
112.04900	0.3
113.02448	5.0
119.03510	2.3
131.03526	1.0
134.03819	0.7
143.03519	1.2
149.04575	2.1
155.03526	0.7
161.04552	3.4
161.09651	0.3
173.04546	4.2
174.04955	1.3
174.52716	0.3
178.02655	0.4
179.05557	0.4
187.80504	0.4
191.05602	0.3
205.08813	0.6
206.09163	0.5
221.06607	0.7
234.46225	0.3
387.33307	0.3
450.14676	1.6
482.17834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82957	1.2
54.11044	1.2
59.01374	12.5
61.98808	3.8
68.08910	1.3
69.03450	11.0
70.17622	3.0
71.01380	2.4
82.42810	1.2
85.02940	2.1
87.57869	1.4
98.21880	1.9
111.00893	4.2
112.01649	12.2
113.02442	10.7
115.03988	1.3
132.98190	8.7
136.39355	1.3
144.04582	2.4
153.01917	3.4
157.01411	10.0
159.02882	1.3
170.99730	8.1
173.01257	2.4
174.99237	45.2
175.17139	1.3
185.01291	3.1
185.98476	1.3
186.99214	2.0
191.05548	1.7
197.57906	1.2
201.00804	4.2
213.00853	14.4
262.18054	3.1
293.07074	2.0
306.16977	3.1
324.17892	1.9
341.11081	1.2
344.11652	2.8
360.11127	1.6
362.12759	11.0
380.13855	3.6
404.14185	6.9
422.14929	100.0
423.15390	3.8
482.16757	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	482.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19514	30.0
59.01373	41.2
61.98823	100.0
78.95892	43.6
82.17288	26.1
88.06632	29.4
89.99771	25.9
93.03431	30.5
125.02445	93.2
168.32544	30.2
399.05008	27.7
454.12125	45.5
482.11566	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42119	0.9
57.85722	0.8
59.01378	47.4
61.98828	1.0
64.40043	0.8
69.43044	3.8
71.01382	16.7
73.02946	100.0
74.03288	1.0
87.00872	3.8
89.45140	1.0
95.90667	0.9
96.96011	1.1
101.02464	0.9
114.93405	1.1
134.03674	0.8
136.91096	0.9
145.51270	1.0
153.05556	1.7
259.09836	1.0
260.10034	1.0
320.18610	10.9
360.21725	2.4
394.22287	2.1
422.21829	35.5
423.22009	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	482.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41801	0.5
55.61307	0.4
59.01378	100.0
60.01704	0.7
60.82364	0.5
61.98539	0.9
61.98830	9.1
69.03500	0.5
69.17495	2.7
71.01382	2.6
75.38538	0.5
85.02969	1.9
88.98825	0.6
89.02462	1.5
93.03467	1.2
98.22691	1.0
99.92602	2.2
101.02426	1.2
109.02979	0.5
111.00928	0.5
111.04545	0.6
113.02477	1.0
116.92879	2.0
119.03500	0.5
119.05042	0.5
127.04053	1.2
135.04648	0.5
137.02495	1.5
139.04039	3.3
141.93707	0.6
155.03569	0.9
159.04434	0.5
159.08228	1.1
161.04654	0.6
162.05568	0.7
173.04550	2.3
185.09798	0.9
187.07683	2.8
188.07959	2.6
189.09250	0.8
191.05602	10.3
192.05920	3.5
202.06371	0.9
203.06863	1.2
205.08821	0.7
206.04532	0.6
209.69463	0.5
214.09734	0.7
231.10300	1.2
232.10518	2.8
247.13417	0.7
251.09442	0.9
264.13196	0.8
275.09189	2.8
276.09579	5.4
284.02441	0.6
286.80887	0.5
294.16983	0.6
307.12051	0.7
308.12335	1.0
316.19290	0.5
321.23251	0.5
328.19302	1.1
346.20447	0.9
368.10156	0.9
378.22784	0.9
390.19437	0.5
408.20401	2.9
409.21030	0.6
422.21805	5.5
450.15189	2.1
482.17694	1.2
482.27417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64223	6.5
59.01375	100.0
61.98827	35.9
69.38276	15.9
69.38678	22.2
71.01368	13.6
73.02934	8.3
85.02984	9.2
87.08797	6.9
101.02378	8.9
103.79082	6.6
108.02162	8.8
113.02440	7.6
138.54128	6.8
156.50050	6.6
161.04507	8.1
170.65085	6.2
191.05611	7.3
203.23747	6.4
206.76224	7.7
340.91370	8.1
397.22226	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	482.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.54793	10.2
61.98817	66.6
62.13743	8.8
69.22759	58.0
79.33857	10.1
98.22626	23.6
100.53877	12.6
118.78765	10.6
173.04597	12.9
187.49356	11.1
247.53979	13.9
258.79599	12.4
326.21387	13.9
397.21927	13.2
464.02280	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	482.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04896	0.4
55.85849	0.3
59.01374	1.1
67.44273	0.4
69.24879	2.3
69.95517	0.4
71.01385	2.6
72.04541	1.4
78.95897	1.8
83.01378	0.5
84.00896	0.5
84.07629	0.4
93.03453	0.7
95.01385	1.3
109.02998	0.5
111.00884	0.9
121.02966	1.0
123.00891	10.1
123.04531	0.5
124.01644	1.0
124.04013	0.9
125.02428	1.6
127.00390	0.6
136.04044	8.2
137.02470	2.0
138.03229	20.8
139.00392	2.7
139.03896	0.4
140.01135	0.6
150.01817	0.4
152.01102	0.7
152.03546	0.8
152.04759	0.8
152.99606	2.3
153.05579	21.2
162.01933	1.1
166.01460	1.7
166.02718	0.6
167.02235	10.0
168.03018	0.6
178.01443	0.5
178.05109	0.4
179.02245	17.2
180.03021	14.8
181.03769	4.1
182.04584	14.6
192.03062	1.1
194.04588	46.1
195.05359	3.0
196.06160	8.0
197.04701	0.4
197.74786	0.4
205.03806	0.5
206.04585	0.5
207.05330	0.6
208.02438	0.8
209.03342	3.0
210.04053	1.8
210.07678	2.6
222.07651	0.5
223.04889	1.7
224.05649	7.7
225.22281	1.0
227.03264	0.5
238.07205	4.5
241.21814	0.5
253.21719	0.5
254.06682	1.7
254.22226	0.5
255.23286	18.2
284.25989	0.9
304.60492	0.4
452.27075	0.5
482.31216	100.0
483.26779	3.2
483.31717	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	482.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53392	5.8
71.01363	17.9
71.41966	6.2
78.95905	23.9
79.34532	4.9
99.60563	5.9
113.02458	7.3
119.82931	5.7
146.66782	5.9
146.77261	5.3
227.62160	6.1
255.23187	43.3
256.23611	49.3
257.23917	53.5
277.21725	100.0
319.22672	20.7
482.31610	42.2
498.41415	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	483.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47758	1.4
57.03439	1.7
59.01366	4.5
59.51818	1.2
61.98833	10.0
66.91985	1.5
69.51404	6.0
71.01372	5.2
71.43395	1.5
72.41703	1.5
73.02963	2.4
83.05018	2.1
83.73741	1.5
85.02950	1.8
89.02449	1.8
93.03459	25.0
95.05001	5.2
96.96001	4.2
101.02447	3.5
101.69511	1.2
112.45834	1.2
113.02489	1.9
118.59754	1.3
119.05029	11.5
139.03979	2.6
140.07132	2.0
143.19566	1.3
147.04541	10.8
160.05281	1.7
160.10719	1.5
161.06114	4.0
161.09715	4.6
165.05489	1.5
169.03929	1.6
171.08144	2.2
187.07671	8.3
189.09206	100.0
190.09586	5.0
191.05592	2.2
203.08286	2.2
205.08684	1.6
233.08173	77.1
234.08484	1.7
239.17844	1.4
261.00711	4.0
277.06992	2.5
303.13376	4.6
369.13882	3.8
374.37390	1.6
394.14920	1.7
395.13574	16.7
439.12552	3.4
465.18668	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	483.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77936	1.2
57.01704	1.2
57.03448	1.5
59.01379	11.8
61.98828	7.1
64.89932	0.9
67.15844	1.0
69.07775	6.9
71.01376	5.3
72.02148	1.7
72.37888	1.0
73.02941	2.1
75.63549	1.0
79.10282	1.0
81.03466	1.4
83.05006	9.5
85.02943	2.8
87.00877	1.2
88.60566	1.0
88.98782	2.0
89.02428	5.2
93.03454	7.0
96.96015	18.5
97.02923	2.2
97.93132	1.0
98.21864	2.6
99.00897	1.1
99.04529	7.7
101.02425	2.9
101.06083	3.4
106.04248	3.9
107.05040	9.8
109.06592	5.1
113.02440	5.7
113.06084	2.9
114.93401	2.2
119.05039	4.8
121.02950	5.1
126.90331	1.8
127.07660	18.0
128.03519	1.4
130.08746	4.3
133.06578	3.1
135.04561	1.8
137.02397	1.5
137.06081	1.5
139.04018	11.3
141.01703	1.5
143.03412	1.2
149.06067	1.2
155.08684	1.6
159.04494	1.9
159.08220	1.5
161.09718	20.6
168.72066	1.1
171.08124	3.8
173.04599	1.5
173.09729	13.0
189.09224	5.2
191.05589	1.8
197.09715	6.4
205.12352	3.1
215.10756	30.3
216.11153	1.6
217.08685	13.8
233.08101	4.2
233.11810	100.0
234.12190	3.3
243.10211	1.4
259.09711	12.2
261.11276	1.3
266.39999	1.1
276.28818	1.1
277.01755	1.8
285.11285	1.6
320.03598	1.4
347.02899	1.2
356.25482	1.6
365.03842	2.9
385.11447	3.2
395.13272	3.4
421.15033	10.4
423.06143	6.0
439.16159	13.0
483.09219	1.9
483.31946	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	483.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01377	2.7
61.98819	0.9
69.45348	0.7
69.45755	1.0
71.01381	1.6
73.02944	0.6
78.95902	2.2
79.95728	2.3
82.38853	0.3
83.01399	0.3
85.02954	1.1
85.14408	0.4
85.79184	0.3
87.00836	0.5
88.98798	0.5
89.02442	1.3
93.03440	0.9
94.98097	0.4
96.96011	100.0
96.96899	4.3
98.93914	0.7
101.02450	1.3
113.02476	0.6
113.92607	0.4
114.93374	0.6
116.92848	0.9
122.82890	0.4
135.04520	0.5
137.02373	0.4
139.04031	1.5
141.83759	0.3
168.84483	0.3
173.04556	1.7
175.07744	0.5
191.05611	8.6
201.11302	0.5
203.07092	0.4
209.11870	0.7
210.12148	0.5
211.12265	0.3
217.00269	0.4
229.08800	0.5
247.09732	0.8
255.09816	0.4
273.07669	0.3
291.08737	0.8
303.13220	0.4
321.22778	0.5
376.70883	0.3
423.18661	1.1
438.81076	0.5
465.13846	0.5
483.14746	1.0
483.20926	1.4
483.28134	1.7
484.21985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.03439	3.2
59.01078	1.6
59.01376	32.9
61.98832	4.3
62.21080	0.7
67.01875	1.2
69.03451	3.0
69.06703	3.9
69.07104	1.5
71.01379	38.5
73.02941	15.2
75.00890	1.1
81.03481	0.8
83.01382	7.9
83.05064	0.7
85.02949	21.9
87.00873	5.9
88.98799	0.9
89.02436	10.1
92.36744	0.8
93.03463	4.8
95.01390	3.1
96.96014	2.4
97.02947	1.8
99.00887	6.1
99.92609	0.9
101.02442	36.4
103.00421	1.1
111.00880	1.3
111.04520	1.6
113.02444	23.5
114.93386	1.5
116.92844	2.7
119.03506	3.6
119.05045	2.4
125.02458	2.8
129.01955	1.0
131.03528	1.5
135.04523	1.8
137.02380	1.2
137.06046	1.0
139.04025	3.0
139.57544	0.7
143.03479	2.6
149.02504	0.9
149.06189	0.8
152.01109	0.9
157.57349	0.8
159.02988	3.6
161.04552	18.8
163.03996	1.8
167.03470	1.8
173.04559	6.3
174.03259	1.1
175.07707	2.7
179.05661	1.6
188.04871	0.9
189.09167	1.5
191.05598	23.5
193.01871	1.1
200.07069	1.0
203.07175	6.3
205.20671	0.7
207.08730	25.9
218.99783	2.4
229.08717	1.5
233.08257	0.9
235.02853	2.6
247.09706	1.6
261.00769	10.2
261.06094	0.9
265.10791	1.1
273.00714	1.0
273.07651	1.2
291.08929	1.3
309.09644	0.9
321.22800	1.9
363.03598	1.0
369.13983	100.0
370.14270	3.3
387.48044	0.9
406.18237	1.0
423.06219	3.8
434.18307	2.8
452.19086	2.2
465.13904	1.6
483.14923	5.3
483.27802	7.0
484.21799	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	483.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20117	0.7
54.30238	0.7
55.01869	1.9
61.98808	0.8
62.84060	0.7
70.05347	1.0
70.05672	1.5
71.55621	0.7
73.73664	0.7
80.54016	0.7
81.03460	8.4
93.03469	1.6
117.07121	1.1
122.03743	0.9
127.05506	1.0
135.04562	1.7
137.06088	32.8
165.07059	1.8
175.03954	1.2
183.08031	0.8
187.63016	0.8
199.07578	1.0
201.09250	1.3
209.06108	1.1
210.59106	0.8
211.07640	40.5
211.64330	0.8
212.07994	1.8
213.09224	1.8
225.08966	0.9
227.10895	1.0
239.07132	100.0
240.07538	4.8
241.08577	2.4
243.10275	12.6
265.92133	0.9
268.07449	1.4
271.06061	6.0
281.08047	1.2
327.98434	1.1
359.12817	2.6
377.13818	1.3
378.10986	4.7
465.16785	1.3
468.20618	0.8
483.17981	11.7
484.18585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
61.98830	0.7
65.03954	0.6
70.73850	0.6
77.85464	0.4
83.97192	0.5
91.80517	0.4
93.03459	2.1
95.05013	0.5
107.04994	0.5
109.02936	0.8
117.03456	1.2
117.61306	0.4
119.05042	0.6
121.02948	4.8
123.00874	0.6
124.01651	3.4
127.44784	0.4
135.04524	1.0
136.05307	2.2
137.02490	0.5
137.06093	1.6
141.03511	0.4
143.04999	1.7
148.05275	0.5
149.02432	4.4
149.05991	1.1
150.03069	0.5
151.03966	0.5
155.08678	1.3
157.03026	0.4
165.07123	1.1
171.04520	0.9
175.04005	0.5
181.06554	3.1
182.07341	0.4
183.08138	18.1
193.06560	0.4
195.04503	0.4
196.05385	0.6
199.04012	0.6
199.07646	3.6
209.06140	2.3
211.04028	0.5
211.07567	1.9
212.04730	1.0
225.05583	1.1
226.06425	0.7
227.07158	19.3
227.10687	11.9
228.07523	1.1
237.05527	1.7
239.07088	1.0
239.10730	1.4
240.04298	1.9
243.10263	1.4
254.05849	0.6
255.06613	100.0
256.07077	4.2
257.08112	0.6
271.06216	1.0
281.08069	0.7
294.23764	0.5
325.86926	0.4
362.11517	1.0
455.18256	0.6
465.17117	0.5
483.17798	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	483.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.07511	0.3
60.01706	0.6
61.98829	3.7
71.01394	1.0
73.02953	0.9
83.01448	0.3
84.95131	0.7
85.02985	0.5
86.05396	0.3
89.02477	0.8
93.03510	0.4
101.02450	1.3
112.98620	0.3
113.02480	0.3
137.02495	0.6
142.92087	0.3
155.03516	0.5
161.04630	0.5
185.06154	0.8
191.05638	0.3
201.09216	8.9
202.09601	0.5
219.10417	0.6
334.03622	0.3
335.15384	0.4
381.15945	0.4
423.16791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96074	0.6
59.01383	1.3
61.98830	100.0
69.29398	2.2
69.29801	1.2
73.56581	0.6
73.72691	0.6
78.29263	0.7
78.95925	1.4
80.91695	1.2
82.68214	0.6
85.27941	0.6
87.27293	0.6
93.03481	1.8
94.79240	0.6
137.02495	2.0
152.99562	1.2
213.38272	0.7
400.67303	0.7
452.07040	0.7
483.23706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2001
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
56.88040	19.0
57.03397	20.1
59.01377	64.3
61.98821	67.9
69.17432	100.0
69.17828	41.1
71.01406	23.7
78.95911	56.8
86.10368	19.0
89.02406	23.1
90.08733	20.3
96.07523	20.7
98.21870	47.6
113.02422	26.1
132.11795	19.1
152.99577	77.3
205.08618	28.3
330.69760	20.5
483.20108	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98830	4.8
64.60326	1.0
69.87006	3.7
78.95907	2.3
79.26619	1.1
88.08900	1.1
94.17290	1.3
102.35007	1.3
123.00903	8.2
124.01643	4.9
125.02435	3.7
135.04517	2.2
136.05238	3.9
137.02426	2.2
138.03223	9.8
139.03981	4.3
147.04523	2.5
148.05336	7.2
149.02394	1.9
149.06099	9.4
151.04028	1.7
151.07658	2.5
152.99600	1.7
153.05603	1.4
170.72656	1.2
177.01901	15.1
181.10268	2.0
192.04276	26.9
195.06569	3.1
202.06270	1.2
207.06616	61.8
211.04063	1.1
225.05580	3.3
225.09206	3.4
226.06259	3.5
227.07126	1.6
228.04277	1.3
237.05629	2.2
241.05003	2.8
241.08658	2.8
242.05809	2.2
243.06590	4.2
252.07922	3.7
253.05023	5.2
253.08496	1.5
254.05815	8.8
255.06630	6.8
257.04480	2.7
257.11829	38.4
267.10248	24.2
269.04599	2.1
269.11792	18.3
270.05405	8.5
271.06155	17.8
272.06812	8.6
284.06992	1.6
285.07690	14.4
287.09283	10.5
363.11929	1.6
375.12280	2.2
377.13837	2.3
391.11685	6.8
393.13406	27.6
406.14090	2.2
408.15768	1.9
417.13382	3.0
421.16534	45.3
422.16495	1.4
423.18121	100.0
424.18542	4.9
437.19800	1.6
465.19171	72.7
466.19421	4.8
483.19748	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	483.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
61.98835	5.1
69.42659	1.6
69.43068	2.7
71.01385	0.8
78.95887	1.4
93.03462	0.9
95.01402	1.6
106.04234	1.4
109.02908	1.0
121.02965	13.8
123.00880	18.1
123.04490	0.9
124.01671	8.5
125.02443	3.6
135.04565	1.2
136.05310	6.9
137.02440	2.2
138.03230	15.8
139.04024	6.1
141.01724	1.1
147.04549	1.0
148.05312	11.9
149.06131	3.8
151.03987	0.8
151.07632	2.3
152.99597	1.9
153.05614	2.4
162.03140	1.3
165.01921	0.8
172.76015	0.8
177.01926	11.5
177.05367	1.0
180.04250	1.1
181.06554	1.2
181.10266	5.1
191.05612	1.8
192.04262	23.0
195.06612	1.5
202.49449	0.8
207.06624	60.6
208.06955	2.5
208.08859	1.1
210.06793	1.1
211.07756	1.6
213.05513	1.1
223.07681	1.3
225.05602	4.2
225.09218	4.1
226.06285	3.7
227.07150	1.8
228.07919	1.3
237.09050	1.0
239.07132	1.3
241.05060	4.0
241.08609	2.3
242.05846	2.8
243.06714	2.3
251.07265	1.1
252.07970	4.7
253.05072	3.3
253.08684	1.5
254.05823	10.7
255.06526	6.9
255.10289	1.6
257.04517	2.0
257.08313	2.0
257.11823	51.4
258.05161	2.0
258.11969	1.1
267.10248	38.4
268.07382	1.0
268.10608	1.3
269.04669	2.0
269.11816	28.0
270.05377	9.3
271.06097	14.9
272.06726	6.4
284.06998	3.7
285.07675	11.8
285.14850	1.4
287.09277	7.7
293.12042	1.1
299.09274	1.2
302.11417	1.1
313.07117	2.2
331.13742	0.8
332.98447	0.8
347.12735	1.5
349.14462	1.5
353.06470	0.8
363.12268	2.1
375.12549	1.8
377.13904	3.3
379.04245	1.6
390.11224	3.9
391.11740	7.5
391.15839	1.0
393.13419	27.6
394.13669	1.4
397.18054	1.0
401.08807	7.5
402.09052	1.2
405.13330	4.9
406.14053	2.3
408.15796	1.6
417.13727	1.6
421.16559	72.0
422.16898	3.8
423.18143	100.0
424.18396	6.9
435.17615	2.8
447.18015	1.0
465.19156	99.4
466.19562	4.7
483.20135	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	483.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	19.0
69.67327	7.5
69.67664	20.6
69.99946	6.2
75.88211	7.0
78.95903	15.3
97.04061	21.7
97.06589	8.9
97.67919	5.4
100.00414	63.7
124.01703	6.4
125.09710	24.8
148.21782	7.0
152.99590	10.7
171.10242	18.6
180.08493	19.0
193.13408	18.3
199.09805	33.5
203.11804	7.8
205.13460	25.9
207.15027	7.1
213.11290	9.2
215.12921	7.1
217.13417	17.4
223.09167	27.6
231.11116	7.5
233.12889	29.8
257.08524	10.6
311.10605	26.9
317.10306	7.6
339.16238	25.7
357.21512	6.6
369.21759	14.2
375.22858	32.8
382.20425	21.4
387.22879	100.0
405.23663	31.6
408.16150	6.8
419.21494	10.4
431.21936	12.6
449.23065	9.7
465.19827	8.7
483.21198	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72971	1.0
61.98835	1.7
70.87781	1.1
98.22707	0.8
107.05040	4.0
113.02462	2.0
135.04504	6.9
149.06061	1.2
171.10240	0.9
174.03377	0.9
175.04045	5.5
181.10286	1.3
189.05553	10.5
190.06378	7.6
198.87065	0.9
203.03476	4.0
204.04222	3.4
205.04962	1.7
225.09225	5.9
226.10043	4.2
227.10725	2.7
239.10675	1.0
241.08554	1.2
243.10199	1.2
253.21786	1.3
255.10176	1.4
255.22327	1.1
256.11081	1.4
266.09543	1.1
281.11823	100.0
282.12170	4.1
286.04291	1.1
295.09756	1.1
311.12881	1.3
344.20963	1.1
483.21930	26.4
483.32889	2.6
484.22278	2.3
487.66360	1.1
506.46457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04746	0.5
63.33420	0.7
63.56131	0.5
69.94058	1.7
79.93056	0.6
80.61440	0.5
81.79547	0.6
106.04267	0.7
107.05031	4.3
116.26848	0.6
121.02943	0.8
122.03732	5.3
123.04523	18.0
135.04535	8.3
136.05290	1.7
137.06052	0.9
138.03262	1.4
150.03226	4.2
151.04002	43.1
152.04781	8.2
181.10100	1.2
189.05551	0.6
201.84245	0.5
211.07497	0.8
213.09248	4.0
223.07639	0.6
225.09256	4.5
226.09918	3.5
227.10809	5.3
241.08710	9.6
242.09473	16.2
243.10184	10.5
250.78819	0.6
255.10158	1.4
256.07544	0.7
256.11099	0.8
257.07944	0.9
257.11847	2.9
258.08902	0.8
271.09735	4.6
272.10507	11.0
273.11304	6.1
281.11826	2.6
311.12790	0.7
377.14044	1.0
468.19247	3.4
483.21765	100.0
484.22098	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	483.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
61.98825	0.5
71.05012	0.5
93.03466	0.5
106.04240	1.7
107.05021	9.7
109.02978	0.4
121.02934	0.4
122.03729	0.6
123.04499	0.7
135.04520	19.2
136.05278	1.3
137.06073	1.2
147.04529	0.5
148.05351	0.7
149.06075	1.8
151.04068	0.4
160.81282	0.3
169.06599	0.3
171.08112	0.5
173.06049	0.5
175.03973	1.5
175.59903	0.4
176.04788	2.8
181.10202	4.3
183.08130	0.4
187.07645	0.5
197.09689	1.0
201.05594	0.5
211.07646	1.4
213.09227	1.0
215.07123	1.1
223.07629	0.6
225.09186	13.7
226.09964	11.5
227.07173	0.6
227.10747	5.1
231.77895	0.4
239.07146	1.5
239.10828	1.1
240.07939	0.5
240.11456	0.4
241.08647	1.3
242.05812	1.0
253.08662	0.6
255.06540	0.6
255.10228	2.4
256.07452	5.1
256.10889	2.9
257.08078	3.5
257.11810	2.3
258.08673	0.4
262.06247	0.5
265.08670	0.7
267.10278	2.3
271.09744	0.4
281.11862	0.6
282.09091	0.5
293.11761	0.5
297.11362	1.9
303.13757	0.6
317.15289	0.5
343.13467	0.4
344.14148	0.8
345.14944	1.0
347.12711	1.9
348.13254	0.6
359.12790	0.6
377.13794	0.6
378.14389	0.4
412.16583	0.4
427.19073	2.5
439.22775	0.7
451.19119	0.7
483.21753	100.0
484.22061	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	483.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03443	1.6
58.00578	1.1
59.01378	100.0
61.98826	1.5
68.22773	0.6
69.03457	12.7
71.01381	59.5
72.01725	0.8
72.99316	1.5
73.02956	3.5
81.78405	0.6
83.01396	2.3
85.02950	11.5
87.00881	3.7
89.02444	85.1
90.02746	0.6
93.03448	1.6
94.64617	0.6
95.01397	3.5
97.02990	0.6
98.00096	1.0
98.21884	1.3
99.00845	0.8
99.11574	0.6
101.02440	31.8
104.20604	0.6
107.03490	0.7
111.04556	0.7
113.02450	76.4
114.02748	1.2
119.03503	31.4
121.06641	0.6
125.02412	0.8
131.03513	4.8
137.09715	9.8
143.03500	9.5
149.04523	3.4
158.40187	0.5
161.04559	11.2
173.04514	2.7
175.04970	0.9
179.05608	28.6
189.12813	0.8
250.04959	0.6
291.18073	1.0
423.22299	4.8
432.61765	0.9
433.50223	0.6
483.17108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52909	0.8
52.58390	0.7
53.21896	0.8
55.01876	1.2
55.08785	0.7
57.03435	1.6
58.00601	1.1
59.01377	100.0
60.01729	1.0
61.98826	11.0
69.03457	9.1
71.01380	58.4
71.41871	1.0
72.01736	0.9
72.99339	1.1
73.02945	5.0
83.01398	2.8
85.02949	11.3
87.00886	3.2
89.02444	74.0
93.03465	1.4
95.01393	3.7
98.00132	1.0
99.00877	1.2
101.02448	28.3
106.04229	1.5
113.02448	79.8
114.02790	1.1
119.03503	26.8
125.02432	0.9
125.61192	0.7
128.42601	0.8
131.03510	4.6
135.04532	1.2
137.09709	7.7
139.04027	1.8
143.03534	7.2
149.04602	3.0
159.03008	0.9
161.04573	12.2
161.05850	1.0
161.09778	2.8
162.10158	1.1
172.37796	0.7
173.04643	1.4
179.05629	24.6
179.07158	1.5
191.05666	2.3
205.08751	4.6
206.09016	3.7
207.09323	3.0
294.48831	0.8
297.14859	0.9
309.92844	0.9
369.15234	1.2
369.19299	4.5
371.53366	0.8
444.42676	0.8
460.18790	0.8
483.22610	2.5
498.52597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79630	0.4
55.01873	1.3
57.03446	1.5
57.15070	0.4
58.00591	1.1
59.01376	100.0
59.84266	0.4
60.01729	0.7
61.98825	4.3
69.03450	11.4
71.01378	64.5
72.01743	0.5
72.99308	1.1
73.02941	5.6
75.00905	0.4
78.10139	0.4
83.01385	3.2
85.02950	13.3
87.00874	3.2
87.04527	0.5
89.02441	83.2
90.02785	0.7
93.03470	1.0
95.01379	3.4
95.27988	0.4
97.02959	0.8
98.00084	0.9
99.00870	1.2
101.02438	32.8
113.02447	82.8
113.35499	0.4
114.02761	0.8
115.03979	0.6
119.03500	34.4
121.06606	1.0
123.24416	0.4
125.02465	0.8
131.03490	5.5
137.08737	0.8
137.09721	11.8
143.03506	8.0
144.77353	0.4
149.04543	3.5
150.63574	0.5
152.99573	0.5
159.02994	0.9
161.04553	13.8
161.09723	0.7
179.05605	32.1
189.12871	0.8
191.05592	0.4
205.08688	0.6
233.06729	0.9
291.17963	0.8
293.08618	1.1
354.61856	0.4
369.18988	1.6
423.22281	3.3
483.18378	0.6
483.33188	0.6
489.70627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.3
70.64791	0.4
78.95905	5.8
85.79697	0.3
96.96941	0.5
101.58646	0.3
118.97557	0.3
152.99583	13.5
171.00627	0.9
227.03265	2.9
237.22418	0.4
239.99139	0.3
245.04230	1.1
255.23285	100.0
256.23639	3.7
287.85980	0.4
444.63190	0.3
483.21613	3.2
483.27362	32.2
484.21677	0.4
484.27777	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44874	0.5
56.75840	0.5
58.71975	0.5
69.09274	3.7
70.61066	0.7
78.95901	7.7
96.96970	0.8
98.21801	1.1
102.13084	0.5
144.56567	0.5
152.99583	14.9
171.00641	0.9
222.22301	0.5
227.03314	3.2
245.04286	1.3
255.23274	100.0
256.23660	4.2
312.72092	0.7
434.97156	0.6
483.27240	39.8
484.27634	1.2
502.70206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92840	0.4
62.51307	0.4
70.90799	0.4
72.17738	0.5
74.79624	0.4
78.95903	16.6
81.94390	0.5
86.65977	0.4
90.42494	0.5
96.96971	1.4
146.02380	0.7
150.98035	0.7
152.99585	30.9
170.44778	0.4
171.00659	1.5
227.03241	3.7
255.23282	100.0
256.23575	3.3
258.86234	0.5
391.22678	0.9
483.27249	59.1
484.27667	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13298	3.3
78.95901	15.6
96.96966	1.6
98.22255	4.1
98.73766	0.6
120.17988	0.8
152.99570	25.0
171.00612	1.0
227.03262	3.8
239.01369	0.8
245.04305	1.3
255.23277	100.0
256.23602	2.9
483.27246	55.1
484.27621	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18203	0.3
56.97966	0.3
71.07685	0.3
71.08042	0.4
72.29665	0.3
78.95430	0.5
78.95895	8.0
96.96952	0.8
98.22197	0.4
130.69952	0.3
138.48613	0.3
152.98334	0.7
152.99580	13.9
171.00612	0.9
227.03249	2.5
236.92836	0.3
245.04262	1.1
255.23277	100.0
256.23627	3.5
276.99725	0.3
288.17236	0.3
390.32855	0.3
407.51236	0.3
461.06116	0.3
483.27240	32.1
484.27829	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	484.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09610	0.5
56.30164	0.5
61.98808	0.6
69.22490	3.4
71.01376	1.0
85.06579	8.0
86.73566	0.5
87.04512	0.8
113.06039	0.5
115.07693	0.6
131.03580	2.4
131.07141	20.9
143.04648	0.7
144.04521	3.4
146.06114	100.0
147.06450	2.0
154.06215	0.9
159.02977	0.9
160.04160	0.7
161.04614	0.9
162.05583	0.7
186.05135	0.6
190.05087	22.4
191.05453	1.4
272.75507	0.6
306.07635	1.5
308.11523	2.7
314.54803	0.5
337.32480	0.6
352.10324	27.0
353.10577	1.0
466.05792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98831	100.0
64.57577	0.2
69.42469	0.9
84.10634	0.2
85.02974	0.2
100.63744	0.2
133.02989	0.4
139.33354	0.2
143.04655	0.2
161.02493	1.5
179.10750	0.4
249.08058	0.2
331.79019	0.2
370.68549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06248	0.2
55.46052	0.2
59.01374	0.5
61.98829	100.0
69.54123	0.6
69.54494	0.3
86.21839	0.2
98.22643	0.3
158.08820	0.2
169.05052	0.2
191.67097	0.2
232.81566	0.2
251.25797	0.2
424.21423	0.2
463.89990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30095	0.4
50.49982	0.4
58.61632	0.4
59.00943	0.6
59.01378	34.1
61.98827	100.0
69.24616	2.2
71.01379	3.2
73.02945	1.3
85.02960	1.5
85.81200	0.4
89.02451	1.5
98.22649	0.9
99.00928	0.5
101.02435	2.3
101.03008	0.4
113.02439	2.5
119.03506	0.5
131.03532	0.5
131.51028	0.5
161.04575	0.6
173.04556	0.6
179.05618	0.6
191.05707	0.7
315.23026	0.5
317.19556	0.5
335.20715	2.7
377.21909	2.7
413.35699	0.4
469.06989	0.4
471.79617	0.4
508.83252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09766	0.6
52.58502	0.6
59.01368	1.6
61.98826	100.0
71.05008	1.2
71.43269	0.7
93.03452	0.8
96.24860	0.6
113.03611	0.8
119.77644	0.7
121.82429	0.6
146.08238	3.5
147.08618	1.4
154.97867	0.7
163.24165	0.7
175.00420	1.6
179.07130	0.9
187.85664	0.7
190.02696	4.6
191.03104	2.5
191.05576	1.0
203.23112	0.6
205.05028	6.3
206.05379	4.6
217.11763	0.8
277.12268	2.5
278.12646	3.7
434.18146	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	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19328	0.5
59.01378	28.4
61.98828	100.0
63.99249	0.7
65.74717	0.5
69.03443	0.6
71.01384	5.2
73.02964	2.4
85.02963	1.9
87.00909	0.7
89.02423	2.2
93.03475	0.8
95.01376	0.6
98.21845	0.8
101.02429	4.7
113.02439	3.9
119.03460	0.8
139.04102	1.2
161.04576	1.7
167.87643	0.5
179.05603	0.5
191.05603	1.0
212.87161	0.5
287.09494	0.5
317.19733	1.8
335.20746	8.8
336.21332	0.5
351.54706	0.5
360.79086	0.5
377.21783	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	484.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	30.2
61.98829	100.0
63.53004	6.0
74.80712	7.0
113.02425	23.0
130.08696	28.0
137.06102	6.9
145.06149	13.6
146.06058	16.1
147.59468	7.2
153.71054	6.3
156.04047	6.8
161.04550	7.0
191.05537	19.2
200.13986	6.7
358.16733	7.5
484.32059	33.5
485.29681	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	484.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30532	2.9
58.82838	3.4
59.01379	34.6
61.98826	100.0
67.45052	3.2
70.14020	8.3
71.01385	5.1
86.00596	3.1
90.00156	5.3
114.22179	4.0
120.99580	4.9
130.26711	3.4
149.16959	3.5
161.02408	3.6
173.31546	3.4
220.10689	3.9
248.94496	4.0
440.22287	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	484.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
57.03443	3.5
59.01368	4.7
59.80564	1.1
61.98817	5.4
68.05052	2.2
69.03458	3.9
69.48504	3.5
71.01371	1.6
71.05029	3.2
73.02944	10.6
83.01389	3.2
83.05031	1.8
85.02937	4.2
85.06586	1.3
87.04502	4.2
95.05025	1.6
97.02963	1.3
97.06557	1.5
99.00903	1.3
101.02453	1.4
109.02955	2.2
109.06601	1.7
111.04528	3.5
113.02460	2.2
115.04018	13.7
122.09747	3.6
123.08181	1.6
125.02474	2.3
125.06126	2.1
129.05551	1.5
131.03499	4.7
137.06044	2.3
138.03210	4.4
145.05069	5.8
146.06097	10.3
148.07690	3.2
153.05547	4.1
159.02979	3.1
166.08730	3.1
171.03018	2.4
184.09792	7.8
190.05040	2.2
191.05554	3.4
203.07156	1.3
206.06596	1.5
206.11781	1.8
226.15453	1.8
230.39856	1.4
236.12903	2.0
260.16501	4.2
262.18295	1.7
268.15582	1.8
274.14462	4.6
278.17819	1.6
292.15479	1.8
304.15417	3.8
316.15472	1.4
322.16528	7.1
324.18213	2.8
364.21161	2.8
390.19168	7.1
402.21506	1.8
408.20248	100.0
409.20441	5.5
434.18170	1.8
440.22787	10.2
452.19183	3.7
484.21869	59.7
484.27142	2.7
485.21680	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	484.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82529	0.7
52.14370	0.7
54.90549	0.7
55.01876	3.4
57.03449	22.7
59.01371	5.7
61.98566	0.8
61.98827	6.3
65.04443	0.7
67.01884	3.4
68.99819	1.4
69.03461	5.3
70.14773	0.8
70.35497	1.5
71.01386	6.5
73.02944	1.8
81.03523	0.8
83.01372	2.3
83.05022	1.9
83.57401	0.7
85.02962	6.9
87.00877	9.8
87.04507	1.4
89.02440	2.4
93.03442	2.1
94.03770	1.0
95.01379	1.5
95.05036	0.9
96.04560	5.0
96.95991	0.8
96.99309	1.6
97.02959	1.7
98.00095	1.6
99.00906	4.4
99.05924	0.8
101.02451	1.8
102.02743	1.0
107.05017	2.5
109.02913	1.0
109.06602	1.5
110.00145	0.8
111.00882	32.0
111.04560	0.8
113.02458	6.6
115.92052	1.0
116.92861	3.8
121.02968	1.1
121.06613	4.7
122.03734	2.3
123.04510	1.6
123.08153	1.5
125.02452	6.0
125.05167	0.7
125.06081	0.9
126.03217	0.7
133.06621	1.4
135.04514	2.0
135.08160	1.6
137.02446	2.4
137.06061	1.2
137.99538	0.9
138.03284	1.4
139.00381	0.8
139.03966	1.4
143.03491	2.9
147.04495	1.0
147.08112	1.7
148.05316	1.4
148.34676	0.7
149.06116	1.5
150.06873	1.0
151.04050	2.1
153.09180	1.1
155.03516	1.1
157.06607	0.8
159.08151	2.1
160.07680	1.8
161.04741	1.3
161.06039	6.5
163.04008	2.2
163.07645	2.8
165.05559	1.6
166.08711	0.8
167.03482	1.8
169.05067	0.9
173.04494	2.5
175.07663	1.5
177.09207	1.9
179.07237	1.2
189.09222	2.0
191.05577	4.9
192.05971	2.1
193.08707	2.5
195.06682	0.9
200.09285	2.2
203.07169	0.8
204.07747	0.8
205.08649	1.7
206.11938	0.8
207.10289	2.4
232.13422	1.5
233.08081	1.1
234.11298	0.9
236.12988	1.0
248.12984	1.1
249.07642	1.8
251.09200	6.6
262.01205	1.4
265.10843	1.4
267.08618	1.1
274.14420	1.0
286.14490	1.3
304.15475	1.5
306.13516	0.9
318.13593	2.2
330.13647	1.3
336.14380	7.1
340.17514	1.2
348.14517	19.5
366.15524	1.5
369.14069	1.0
370.14346	3.1
372.17929	0.9
376.17941	0.9
380.16962	1.8
388.17557	1.8
390.19232	1.5
406.18695	16.7
406.23618	1.5
416.17114	8.4
422.18188	3.2
434.18195	76.7
435.18622	4.3
436.19611	1.6
452.19241	23.4
453.19794	1.4
454.20795	3.1
466.14435	1.3
466.20773	11.2
484.21896	100.0
485.22345	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	484.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.5
61.98811	49.9
66.76810	24.3
68.51044	27.8
69.36740	100.0
114.01443	21.3
117.78372	20.6
208.48613	28.2
212.81778	26.3
228.77304	25.5
305.83081	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11444	6.3
52.81012	7.5
59.01375	100.0
61.98820	12.2
69.16166	9.0
69.16582	35.3
71.01368	11.3
82.95409	16.8
89.02452	11.1
93.69453	8.4
95.05039	14.8
98.21836	13.2
113.02420	10.5
123.47428	7.2
139.04010	98.5
257.99905	6.7
485.23755	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	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98824	65.8
65.90559	29.3
71.42360	28.8
75.80805	25.6
88.18642	24.7
88.62732	29.1
96.44428	24.9
126.25150	24.7
134.06944	24.2
137.22328	32.2
196.75804	27.2
426.54788	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	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13482	21.8
53.16806	15.5
59.01370	62.6
61.98820	100.0
64.76563	16.0
69.51635	68.4
72.26386	17.1
79.84074	19.5
82.93309	14.1
89.06527	16.7
89.36805	15.9
90.46366	19.6
98.21825	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	484.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43204	0.5
55.62690	0.5
69.22041	3.2
72.00904	2.0
73.03680	0.9
73.04065	11.0
74.02469	29.0
82.06603	2.0
86.02464	2.7
87.05633	2.6
88.67167	0.6
99.05645	0.8
104.03529	18.2
107.02358	0.4
108.08142	1.2
112.02766	1.1
114.51277	0.5
122.09734	1.1
126.09245	2.6
128.10867	0.7
130.08730	3.2
138.09277	0.5
139.08736	1.8
140.07190	1.3
141.10352	4.9
142.17741	0.5
143.11894	17.6
143.58781	0.5
152.07187	4.6
153.10306	1.6
155.10628	1.2
155.11897	19.7
165.10329	1.0
169.09818	7.6
171.11412	1.5
173.12912	2.7
187.10893	4.5
200.14047	29.0
201.14362	0.8
212.14055	13.4
226.21758	35.0
227.22086	1.5
230.15077	3.6
264.22086	0.7
266.21118	3.4
270.20581	2.5
283.23929	7.6
284.22223	0.6
297.25571	0.7
332.19214	0.5
335.30817	0.5
379.29565	3.2
397.30618	7.1
398.30957	0.6
410.33948	1.4
411.34265	0.6
422.33826	8.2
423.34415	0.5
440.34735	2.0
454.32825	31.4
455.33176	1.8
466.32761	2.1
484.33893	100.0
485.34354	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	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66782	2.1
59.01383	11.6
61.98807	4.1
69.87587	2.6
69.87923	5.2
71.01388	11.2
71.14578	2.1
84.95137	5.5
85.02952	7.4
87.00884	7.1
87.04512	10.2
89.02450	7.8
93.03468	6.5
96.96011	11.3
98.21931	4.5
101.02454	7.7
109.02967	7.8
113.02458	4.7
119.03458	2.9
131.03526	12.6
135.04533	10.9
153.01924	4.0
161.02380	2.4
164.98662	8.2
173.04581	13.2
177.35556	2.2
179.03519	7.3
179.05528	3.3
186.99216	6.9
191.05620	100.0
195.45018	2.4
197.04561	3.5
201.00810	2.4
208.97646	6.0
223.69415	2.4
229.00269	5.7
316.86240	2.2
323.00797	5.6
353.01810	5.7
353.08762	22.6
371.11859	16.8
386.99396	5.7
485.06009	13.6
510.48724	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	485.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
59.49141	0.7
62.75001	0.6
69.29522	3.5
71.01379	1.8
78.04788	0.6
85.02945	5.0
87.00879	2.7
87.04514	3.3
89.02457	1.1
93.03455	2.3
96.74854	0.6
98.22602	1.6
99.04525	0.7
111.04516	0.8
112.00416	0.7
115.00367	1.2
115.04001	0.7
127.04014	1.9
131.03513	4.2
133.01419	1.4
135.04533	1.1
142.97528	0.8
143.03485	1.8
159.03003	0.8
161.02423	2.2
173.04517	1.1
179.03384	1.2
191.05611	100.0
192.06065	1.0
238.20688	0.6
341.10895	2.7
353.08792	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	485.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
57.03438	3.9
58.00582	1.3
59.01376	58.2
61.98822	2.3
62.12550	1.2
69.03459	1.6
71.01378	48.0
71.41096	2.2
72.99317	1.9
73.02939	19.3
83.01370	8.8
85.02944	14.3
87.00882	5.6
87.04534	1.7
89.02440	53.9
95.01371	2.9
97.02909	6.0
99.00866	1.4
101.02437	100.0
113.02448	34.4
113.03235	2.5
115.04019	4.9
118.96605	2.0
119.03503	21.9
125.02466	1.9
129.33319	1.2
131.03502	27.3
141.01878	1.6
143.03482	15.1
149.04550	2.4
155.03444	1.2
159.02992	16.5
161.04558	34.9
168.91348	1.5
173.04572	7.1
179.05594	79.8
186.99150	1.8
189.09033	1.2
191.05602	27.0
201.00848	1.4
221.06660	14.4
229.00308	3.1
233.06685	2.2
263.05151	2.5
263.07724	30.4
293.08786	11.7
320.66580	1.5
353.01779	1.5
370.99591	2.1
386.99216	2.7
510.04977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09130	10.5
52.90625	9.4
59.01382	24.4
61.98822	100.0
64.48194	10.3
66.01050	9.3
69.20807	47.7
73.58835	10.8
145.67647	9.1
149.02397	11.3
161.02441	34.3
173.04579	15.6
265.95511	9.6
272.10623	12.9
287.12878	63.4
329.11523	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	485.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05815	1.8
52.36516	1.8
59.01374	6.2
61.98825	11.1
65.81421	1.8
69.59492	4.4
69.59875	4.6
71.01400	3.2
72.25716	1.9
79.83641	2.1
82.95422	3.2
85.02953	4.0
98.22638	3.9
99.00925	2.8
113.02428	3.0
116.92882	2.0
121.02944	41.0
121.03741	3.2
130.08730	6.9
132.38179	2.1
134.50943	2.5
137.77153	1.8
161.02452	3.1
161.04549	4.0
172.02457	2.0
191.05688	2.0
272.10550	63.9
273.10825	2.9
287.12897	100.0
288.13284	6.9
303.79019	2.3
449.18109	35.8
450.18674	2.4
486.27319	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	485.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84276	4.7
57.60073	4.4
59.01368	5.0
70.93689	6.1
91.11665	4.1
111.00867	7.2
137.00320	4.9
137.02388	5.2
145.06648	5.6
161.06067	6.4
163.03952	9.5
165.81529	4.3
173.05971	5.7
175.03970	12.3
188.04738	9.7
189.05634	5.8
191.03346	4.5
201.05666	7.9
203.03542	7.4
211.07713	7.3
213.09265	9.2
215.03488	5.6
216.04254	23.0
217.05060	16.3
220.48100	4.1
225.09210	20.0
239.07144	14.5
241.08690	17.2
245.04555	23.0
253.08583	5.3
259.06036	9.7
264.07922	5.0
265.08716	8.5
277.08710	5.3
279.10199	12.5
293.08215	28.5
307.09882	50.5
321.10971	5.3
324.09793	6.0
335.12848	5.9
336.09668	5.9
339.34830	4.7
350.11584	7.7
371.16382	6.4
397.18127	24.0
398.15225	28.2
413.17352	13.0
423.16187	6.3
441.17075	100.0
442.17252	9.1
467.18689	11.0
485.15601	10.1
485.22202	6.9
487.61691	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	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65747	0.3
58.63250	0.3
59.01366	1.4
61.77106	0.3
61.98821	0.6
67.01888	0.4
69.35851	1.7
71.01371	0.6
85.02965	0.4
87.00851	0.7
93.03461	3.2
107.01388	3.2
107.05027	0.7
109.02953	1.8
111.04496	0.8
113.02427	0.4
121.02962	0.6
123.04524	1.5
124.01701	0.5
134.03735	1.6
135.04532	6.1
136.01660	1.3
137.02451	3.9
150.03224	1.2
151.00374	2.1
155.03526	0.4
159.04419	0.4
160.05296	1.0
165.09204	1.1
167.03398	0.4
173.04556	4.2
175.07631	11.3
176.08046	0.4
178.06339	0.5
187.90106	0.3
191.05603	4.9
192.08037	0.3
193.08699	17.1
219.06599	2.6
237.07669	100.0
238.07959	3.0
284.03253	1.1
285.03986	2.1
287.05618	3.1
293.10220	0.9
311.11279	1.2
323.11343	7.3
377.10355	0.4
399.12747	1.0
447.09335	2.3
449.10532	0.4
467.15482	3.6
485.16589	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	485.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
59.01379	36.3
61.98820	4.1
63.68507	0.9
67.01859	1.2
69.19941	6.0
71.01382	21.1
72.99316	1.1
73.02945	5.7
83.01350	2.3
83.05038	1.3
85.02949	6.8
87.00877	5.1
89.02441	13.3
93.03457	10.7
95.01385	1.9
96.95997	3.1
99.92542	1.0
101.02438	18.3
111.04537	2.1
113.02457	5.3
116.92810	1.9
119.03505	4.9
127.03910	0.9
128.45486	1.0
131.03479	3.4
135.04547	1.7
143.03526	1.7
145.07713	1.4
155.03503	1.6
159.09181	1.0
160.06448	6.1
161.04568	4.1
161.07196	47.5
161.08548	2.3
165.05556	3.2
173.04552	16.2
175.07361	1.5
175.08766	19.5
176.04814	7.5
177.09248	5.6
179.03537	1.4
179.05574	2.0
186.56271	1.3
187.08759	4.3
189.06691	73.1
190.06976	1.1
191.05605	38.6
191.07338	2.1
192.05971	1.3
201.10301	1.4
202.06247	1.4
203.08266	20.3
203.11876	1.6
205.08670	12.2
212.46693	1.0
221.06703	3.1
229.09857	5.9
231.10216	3.3
233.08165	2.4
241.09880	1.7
249.11314	9.8
257.08221	2.0
261.06226	3.7
267.12372	2.8
277.11862	1.5
293.10251	1.9
305.08124	1.4
305.11450	16.1
323.12534	2.6
369.46127	1.3
449.14429	2.0
467.15567	10.1
484.28448	1.1
485.17639	100.0
486.17383	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	485.1965
Annotation	Artelastochromene
Peak:m/z	Relative Intensity
52.76783	0.3
54.76101	0.3
55.01856	0.3
61.98826	0.7
71.23001	0.3
81.03449	1.7
93.03458	3.1
101.04357	0.3
106.04235	1.0
107.05029	2.7
119.05041	0.7
123.04510	1.6
125.09697	0.4
133.06609	1.1
135.04527	7.6
136.05319	3.9
137.06084	10.4
145.06584	0.4
149.06088	0.7
161.06230	0.4
162.03220	0.7
173.09746	0.9
175.03993	3.3
175.07648	2.0
176.04781	3.3
177.05574	5.1
179.08675	1.0
182.07324	0.9
183.29767	0.4
185.06161	0.6
187.07635	0.7
187.09729	0.5
189.05646	0.6
189.09221	0.5
191.07135	1.4
195.08107	0.5
197.09714	3.1
201.09103	0.8
211.11264	0.4
213.05576	0.5
213.09111	1.8
214.09935	0.4
215.07178	0.4
217.08696	1.9
223.07623	2.4
223.09483	0.4
229.08734	0.6
229.12332	1.7
234.15169	0.3
239.10783	1.5
240.07959	0.8
241.08690	11.2
243.10170	2.4
253.08615	0.4
253.12437	0.7
254.09552	1.0
255.10225	2.9
257.08304	2.2
263.07184	0.5
271.09824	0.5
273.11304	6.3
280.07349	0.8
281.08252	2.7
281.11115	0.5
282.08887	2.6
283.09796	2.2
285.11450	0.5
297.11267	1.2
299.08121	1.1
307.09750	2.2
323.12845	0.8
333.14172	0.3
335.16522	1.4
346.06094	0.4
346.11734	0.3
351.15765	0.5
361.14514	1.9
363.12091	0.4
365.16898	0.5
379.15491	8.8
380.15793	0.7
467.18634	1.1
485.19687	100.0
486.19635	4.5
486.24875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
61.98820	2.3
62.72830	0.9
64.71717	0.9
67.01872	1.3
70.32123	1.7
73.98921	1.1
87.00870	5.2
90.20625	1.1
93.03446	2.6
107.05061	1.3
111.00883	58.0
122.03778	1.1
135.04520	2.7
137.02415	2.9
137.06052	2.5
139.88287	1.0
142.16158	1.0
147.08159	20.0
162.03212	3.5
163.07674	1.7
173.00984	6.2
175.03969	6.2
176.04776	23.4
177.05550	5.6
189.05537	1.3
190.06361	9.5
191.05579	1.8
191.07140	17.7
204.41791	1.0
213.09279	1.2
227.07162	1.2
241.08752	3.1
243.10446	1.8
253.12321	29.5
279.10269	2.7
282.08954	10.0
297.11301	100.0
298.11569	4.9
311.22119	2.4
335.16125	1.1
379.15588	5.2
467.18399	1.5
485.19125	8.2
485.33228	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	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03445	0.3
58.00600	1.0
59.01379	70.4
60.01698	0.4
69.03458	5.9
71.01382	61.8
71.05001	0.3
72.01717	0.4
72.05000	0.3
72.99310	0.8
73.02949	9.1
75.00872	2.3
78.64550	0.2
79.01917	0.9
79.05538	1.0
81.03458	4.5
83.01389	4.1
83.05006	0.3
85.02954	6.4
87.00873	1.4
89.02446	85.8
90.02789	0.8
95.01392	1.2
97.02948	10.9
99.00886	15.5
99.04536	1.4
101.02447	13.1
104.02696	2.2
105.03554	0.4
106.67314	0.3
107.01393	0.5
109.02994	0.3
111.00900	2.2
113.02449	6.8
115.04011	6.8
117.01949	0.5
118.04259	0.8
119.03535	1.8
125.02448	45.0
126.02784	0.7
127.04024	1.5
129.07098	1.1
130.04251	6.0
131.02513	0.5
131.03510	10.4
131.08711	0.3
143.03500	3.9
143.08640	0.8
145.06584	0.8
145.10229	4.5
149.04556	14.4
155.03517	0.6
155.08656	1.8
157.05222	0.2
157.06577	7.0
158.07317	1.2
161.04567	1.5
171.08162	1.1
173.04547	1.1
173.09711	6.7
174.10085	0.3
175.06075	0.7
191.05681	9.4
191.10779	100.0
192.11142	2.6
212.29689	0.3
214.77905	0.3
215.05640	0.6
217.08714	0.5
233.06664	38.6
234.07037	0.9
293.08792	47.5
294.09164	1.2
485.19968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03448	3.4
59.01378	31.3
61.98824	7.1
67.01888	0.7
69.03456	15.1
71.01377	36.3
73.02937	8.4
74.02686	0.5
75.00874	0.6
83.01380	3.8
83.05006	0.9
85.02451	1.0
85.02945	14.2
87.00871	1.4
89.02442	21.9
93.03442	1.3
95.01386	3.0
97.02927	0.8
98.00095	1.2
98.22686	1.1
99.00877	3.2
101.02439	22.8
109.02969	1.1
109.73518	0.5
111.04525	0.6
113.02445	100.0
114.02789	1.2
119.03501	11.4
125.02442	1.3
127.65548	0.4
129.01950	0.6
131.03487	1.5
139.04021	1.7
143.03494	3.7
149.04555	1.0
153.01915	0.9
159.02983	3.4
161.04543	24.3
173.04547	1.5
179.05612	10.2
179.07108	0.8
191.05602	2.6
209.15530	1.4
231.10358	0.7
367.12469	0.9
371.20724	8.8
485.23938	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	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97160	0.7
55.01880	1.2
57.03436	2.2
59.01377	43.3
61.98798	1.1
69.03455	16.7
71.01379	38.1
72.99286	0.8
73.02940	8.0
74.24488	0.6
83.01386	3.3
85.02950	13.8
87.00873	1.8
89.02441	32.9
95.01385	3.2
97.02955	0.8
99.00877	2.5
101.02438	27.4
113.02447	100.0
114.02773	1.2
119.03500	17.4
125.02501	1.3
131.03506	2.1
136.81956	0.6
139.04016	1.9
143.03511	4.9
145.41002	0.5
149.04543	2.0
151.07596	0.9
159.02980	2.1
161.04564	20.2
163.66422	0.5
179.05617	13.6
209.15443	0.6
222.28311	0.7
259.26419	0.7
260.81287	0.7
371.20712	28.5
372.21005	1.0
442.81464	0.6
485.23944	3.7
485.34656	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	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31198	1.1
53.75453	1.0
55.01882	1.8
56.05914	1.0
57.03444	1.8
59.01377	100.0
61.98802	1.1
62.05081	1.1
66.66686	0.9
69.03454	12.3
70.94294	1.2
71.01379	36.9
73.02943	9.8
73.21922	1.0
75.45001	1.0
83.01394	4.0
85.02947	13.8
87.00847	1.5
89.02435	22.5
89.02947	1.8
93.03439	1.2
95.01384	1.5
95.05017	2.3
97.02976	1.2
98.00103	1.9
99.00891	1.9
101.02438	27.7
113.02450	80.3
113.06059	1.1
119.03513	12.1
131.03500	1.8
139.04007	26.4
141.01666	2.3
143.03485	3.9
159.02980	2.3
161.04572	16.9
173.04567	2.2
179.05591	9.5
191.05548	1.7
300.80862	1.1
310.91345	0.9
327.67694	1.1
371.20670	37.9
372.21033	1.2
391.03906	1.0
399.23819	2.2
415.19595	1.4
485.23831	5.2
503.88965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77049	0.6
55.87915	0.6
61.98827	100.0
64.96730	0.6
71.25060	0.7
86.59681	0.6
88.77905	0.6
97.35104	0.6
105.52261	0.6
109.42495	0.6
118.69304	0.7
213.09305	0.8
225.09225	1.5
237.19510	0.7
241.08771	2.3
307.60742	0.6
467.18768	3.2
485.18884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24401	0.9
57.37292	0.8
59.01370	1.7
60.10598	0.7
61.98827	100.0
69.52141	1.0
71.01389	1.0
71.43980	1.0
73.02964	0.9
74.89320	0.8
113.02446	1.1
189.04631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76427	0.6
57.90443	0.7
61.98824	0.8
70.45124	1.5
76.46293	0.7
82.71231	0.6
88.04040	56.1
147.08170	1.6
149.09692	1.2
161.09712	0.7
163.11258	2.9
187.11272	2.4
240.79135	0.6
256.23453	0.6
277.14621	0.9
279.13776	0.8
280.14749	1.5
297.12781	0.6
309.22269	1.8
337.21716	100.0
338.22101	5.6
382.27286	0.8
486.26895	18.1
486.33853	1.0
487.27209	2.5
507.22012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90841	3.3
59.01383	25.4
61.98818	22.1
62.57024	2.8
63.54595	3.6
67.01876	6.4
69.12283	19.6
71.01389	6.7
78.27638	4.4
85.02956	4.0
89.02439	4.4
101.02419	4.9
109.02927	22.7
111.79860	2.9
112.81969	3.4
113.02428	5.5
123.04504	13.4
127.00320	4.1
130.08760	5.1
141.36320	3.5
145.18088	3.3
146.06079	6.9
149.02437	3.6
150.03197	3.7
151.03998	5.8
161.02441	9.5
161.04449	5.1
177.01935	27.5
187.03893	4.1
189.01944	33.6
190.02673	14.7
191.03781	3.7
191.05585	11.2
216.00749	5.5
217.01369	20.9
219.03017	7.5
231.02950	7.6
265.14380	34.1
281.04474	8.7
297.07770	6.9
299.05603	8.9
305.73816	4.2
307.15607	4.9
341.06604	100.0
342.06903	5.3
381.93298	3.5
451.10361	66.8
452.10315	6.2
487.31000	18.6
488.26672	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	487.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16532	0.3
59.01376	4.7
62.82960	0.3
71.01384	1.7
72.99304	0.5
73.02931	0.4
82.98930	0.3
83.01393	0.3
84.93843	1.3
85.02943	0.6
87.00883	0.4
89.02456	0.7
93.03466	1.8
95.01423	0.3
96.96025	0.4
98.95603	0.4
99.00867	1.1
99.92583	12.1
100.92672	0.5
100.93359	13.6
101.02437	1.0
101.93409	0.4
103.00362	0.4
110.85751	0.2
113.02452	0.8
115.88461	0.2
115.91212	0.2
115.92076	16.4
116.92857	100.0
117.51341	0.3
117.92889	2.8
117.93649	0.5
121.28570	0.3
124.26481	0.2
125.02441	0.2
126.94981	0.3
128.10823	0.2
137.02502	1.4
139.04010	1.8
140.04373	0.5
140.92851	0.7
142.94434	1.5
156.92380	0.7
158.93941	0.9
161.09735	0.5
173.92545	0.5
174.93495	0.4
182.93910	0.4
184.91853	1.3
184.95436	0.3
186.93608	0.3
195.11649	0.2
196.95509	0.6
205.08682	0.5
223.04318	0.7
242.95982	0.3
259.96375	0.3
325.20267	0.5
349.12991	0.8
365.06964	1.0
383.08035	5.6
384.08582	0.4
401.09094	3.2
408.75754	0.3
413.09265	0.6
425.09134	1.9
443.10126	3.6
451.07025	1.4
469.08154	0.3
487.09210	10.0
487.16220	0.6
487.25546	2.4
487.32370	0.4
488.09314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98815	0.7
63.58644	0.9
71.01379	14.0
72.99311	2.4
76.26334	0.8
88.66092	0.8
89.02431	2.8
96.95996	0.9
102.81966	0.9
115.00370	41.4
127.00359	2.1
128.03543	3.1
133.01431	100.0
134.01785	1.4
134.03688	1.1
135.54170	0.8
149.06081	2.7
151.03987	2.1
178.94301	0.8
191.05598	12.0
197.12886	1.0
211.06403	0.9
230.09433	0.9
264.97858	1.8
312.34247	0.8
316.79489	0.9
373.11499	1.9
427.00778	2.4
469.22800	1.2
486.30511	1.2
487.24225	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	487.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88037	0.6
59.01375	1.9
59.60578	0.5
68.57388	0.5
69.03444	0.6
69.18262	0.5
71.01384	14.6
72.99311	3.0
84.04555	0.7
85.02972	1.6
87.00858	0.8
89.02431	2.8
102.05608	0.9
109.04058	2.8
112.01675	1.9
113.02444	1.5
115.00375	39.0
119.03497	0.7
125.03539	1.4
127.04205	0.8
127.05141	7.4
128.03552	3.7
133.01433	100.0
134.01819	0.6
145.01447	1.3
145.05075	3.8
145.06180	39.6
146.04645	2.0
157.01434	1.0
159.03001	0.7
179.05705	0.7
191.05624	8.7
193.06055	0.7
232.16422	0.6
329.99097	0.6
341.10852	3.4
353.08881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65501	0.6
59.01377	3.1
61.98851	0.7
62.21267	0.6
69.52396	1.6
69.52784	1.3
71.01371	2.3
73.02977	0.8
84.93861	1.0
85.02961	1.0
86.00324	0.6
87.00882	1.2
89.02454	0.9
96.96010	2.3
97.07111	0.7
98.22620	0.7
98.95571	1.1
99.00869	2.8
99.92583	17.8
100.93365	100.0
101.02416	1.0
101.93394	2.8
110.34683	0.6
113.02455	1.3
114.72430	0.6
115.92078	98.1
116.92137	3.6
116.92858	66.5
117.92878	2.3
119.03450	0.6
132.92326	1.1
141.93633	2.7
142.94440	2.5
148.01622	1.0
153.05560	1.9
154.94370	0.8
163.03999	2.7
167.95186	0.6
169.93123	1.1
170.93950	1.3
172.95461	1.1
181.05084	3.4
183.94664	2.0
184.95493	2.8
191.05669	1.9
193.04941	0.8
196.95554	1.9
209.03479	0.7
211.06148	4.9
211.94258	1.2
226.96507	1.6
241.95270	1.0
242.95894	2.4
244.97577	1.4
259.96298	1.6
262.98569	1.1
288.57101	0.6
393.09964	1.2
451.10623	15.5
452.10330	1.4
469.11624	16.2
470.12085	1.1
487.12723	43.9
488.13486	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	487.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56193	0.4
55.01904	0.3
57.03455	0.4
59.01379	10.4
61.98829	100.0
62.98531	0.4
71.01379	2.8
71.43549	0.5
71.56481	0.3
73.02953	1.3
82.95426	1.6
83.01430	0.4
83.05013	0.5
84.95115	8.8
84.95595	0.6
85.02974	1.4
87.00888	1.5
89.02456	1.3
93.03488	0.6
99.92622	0.4
101.02455	1.9
111.11424	0.4
113.02449	1.9
116.38753	0.4
116.92854	1.7
119.03516	0.6
133.03009	0.4
134.03740	0.4
135.04578	0.5
137.02438	0.5
139.04036	0.9
163.78099	0.4
173.04633	0.6
178.02715	0.5
221.01009	0.7
304.13501	1.1
325.20419	0.9
348.27676	0.4
380.15088	0.7
390.03763	1.3
424.13974	4.3
430.95407	0.4
487.25449	6.9
487.31903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.1
61.98824	1.7
69.03448	1.6
69.24899	1.2
69.25298	2.6
71.01363	3.4
72.99303	0.7
73.02944	0.7
78.55376	0.6
82.95441	0.7
87.00877	2.3
89.02444	2.1
91.91441	0.7
96.95997	3.1
98.21931	1.3
99.00903	0.6
99.92580	7.7
100.93372	6.3
101.02442	1.0
108.02167	1.4
111.04516	1.0
113.02457	7.5
115.92075	5.9
116.07185	2.0
116.92862	17.0
123.04568	1.4
128.03540	1.5
134.03746	72.5
135.04443	1.1
136.01668	55.5
137.02095	0.8
145.06200	1.1
149.06084	100.0
150.06409	2.4
151.04007	90.2
152.04309	1.4
153.05655	0.8
158.93901	1.0
161.02419	0.8
161.04509	0.7
163.04050	2.1
167.03564	1.4
173.04630	0.9
177.05292	0.9
179.05579	0.7
181.05069	1.2
183.04372	0.7
191.05602	1.6
193.05048	1.2
203.57263	0.6
211.06119	29.7
223.10985	0.7
309.04498	0.8
337.55667	0.8
340.18820	1.8
347.11444	0.7
373.11377	66.3
374.11703	3.3
401.77255	0.9
451.06976	3.6
469.08133	0.8
469.14969	1.0
469.22803	1.6
487.08960	5.6
487.15384	4.3
487.23575	5.5
488.09756	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	487.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98828	34.9
69.24268	36.9
71.01381	57.6
88.34743	7.2
89.02435	87.8
101.02434	28.0
111.37473	7.0
113.02462	24.5
119.03516	36.1
121.02979	7.6
130.08705	18.6
143.03470	11.3
157.13493	12.3
158.04558	8.4
161.02463	16.7
161.04553	24.6
179.05608	84.2
188.04930	6.9
191.05573	8.4
209.11667	10.5
226.12556	7.9
239.10612	10.1
272.10745	8.0
282.12677	11.0
286.19739	9.5
287.12836	25.1
307.19177	28.6
325.20175	17.6
451.19785	30.6
487.17365	28.4
487.25626	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	36.4
61.98820	5.1
69.70918	13.1
71.01381	16.4
73.02921	4.3
85.02944	6.3
87.00861	5.0
89.02436	19.3
91.05507	3.9
92.00329	4.6
99.04491	4.8
101.02435	7.8
111.04554	4.2
112.20306	3.8
113.02436	6.1
119.03496	7.2
137.02432	6.0
157.45461	4.5
161.02423	4.9
179.05618	13.6
211.11301	6.8
261.90112	4.5
271.13477	33.9
289.14450	50.6
451.19751	100.0
452.20056	5.3
487.17441	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.6
59.01374	1.8
64.11849	0.4
67.03016	0.4
70.18212	0.4
71.01381	1.4
74.02475	1.7
82.02970	0.9
82.83221	0.4
83.32423	0.5
84.04551	2.5
86.02448	0.6
89.02438	1.7
98.02494	0.5
99.05677	0.6
101.02444	1.4
101.07209	1.3
102.05605	1.4
109.04074	5.2
113.02445	0.8
125.03560	2.0
127.05135	18.2
127.06074	1.0
128.02594	0.5
128.03532	7.3
141.67592	0.4
143.03487	0.5
145.06187	100.0
146.04614	4.1
146.06557	0.7
154.92877	0.5
166.74535	0.5
179.05598	0.9
207.26982	0.5
254.31224	0.5
258.27701	0.4
341.10788	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.5
59.01384	2.2
69.27969	1.7
71.01388	1.3
74.02462	0.8
82.02979	0.8
84.04550	2.7
89.02436	2.7
97.04065	0.4
99.05674	0.7
101.02452	1.1
101.07222	1.3
102.05630	0.6
109.04071	5.5
113.02412	0.9
119.03510	1.1
121.96080	0.4
125.03582	1.7
127.05141	17.7
128.03540	5.8
145.06190	100.0
146.04597	1.5
146.06523	1.0
179.05585	1.1
312.10040	0.4
341.10898	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	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.5
57.03436	5.3
59.01379	58.1
60.64320	1.3
61.98821	3.3
69.03456	9.0
69.25234	7.4
69.69302	1.3
71.01378	100.0
72.99294	2.4
73.02940	34.8
80.43273	1.4
83.01392	15.1
85.02949	42.9
87.00901	7.3
89.02434	16.0
93.03465	2.5
95.01391	5.5
97.02956	3.2
99.00883	10.8
101.02442	72.2
113.02450	71.5
113.03254	2.6
119.03505	4.6
121.02947	3.3
125.02438	3.0
129.88155	1.6
131.03473	3.2
136.05321	2.2
139.04031	2.3
139.46704	1.6
143.03516	6.2
159.02965	7.6
161.04555	71.2
163.03984	2.6
173.04527	3.2
179.05545	1.8
191.05536	1.7
193.06099	2.3
193.08667	4.1
200.22913	1.3
221.06636	4.2
332.89191	1.4
373.15005	92.7
374.15332	4.1
429.82001	1.5
469.16043	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	487.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33142	0.7
68.52328	0.7
70.18200	1.2
71.76729	0.7
78.95899	53.9
96.96960	11.7
152.99580	48.0
171.13901	78.3
172.14267	1.3
177.87206	0.9
223.00090	1.3
241.01167	28.6
307.13187	6.7
315.04843	8.0
379.41809	0.7
434.06653	0.8
487.19479	100.0
488.20029	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	487.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07278	6.0
64.39846	5.9
69.33229	13.6
69.33637	24.4
69.94680	6.4
80.04148	6.0
80.52856	6.1
95.01394	8.0
98.84660	6.7
108.51772	7.8
127.04012	15.9
139.00372	28.8
152.36562	6.0
165.01611	6.4
412.17319	8.9
444.20319	100.0
444.25983	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03436	1.3
59.01380	31.7
61.98825	3.1
63.78981	0.4
67.01864	0.5
68.99807	0.6
69.03448	0.6
69.05984	2.4
71.01384	11.8
73.02951	3.7
81.03461	0.5
82.95413	0.6
83.01376	1.6
83.05025	0.6
84.05877	0.5
84.75456	0.4
85.02939	5.0
87.00863	1.0
89.02445	6.8
93.03466	3.9
95.01381	1.0
97.02970	0.6
98.13839	0.4
99.00880	39.4
100.01214	0.5
100.93365	0.7
101.02445	9.4
109.02975	0.7
111.04535	0.6
113.02452	7.3
113.03239	0.5
113.06091	0.5
116.92834	1.0
119.03526	2.8
121.02973	2.3
121.06545	0.4
122.06111	0.9
123.04488	0.4
123.08161	4.3
125.02563	0.4
128.03568	0.5
131.03517	0.5
134.03745	0.5
135.04504	1.3
137.02448	8.5
137.09718	1.3
139.04034	1.0
143.03471	1.1
148.55997	0.4
152.08374	0.5
153.09207	1.6
159.03040	1.2
160.04111	0.5
161.04561	9.6
163.11293	3.6
165.09169	0.8
167.03529	1.0
167.07106	0.6
173.04549	1.3
175.50168	0.4
179.05598	3.8
189.12859	6.6
191.05630	2.7
192.05919	0.9
193.06131	1.0
195.02820	0.4
203.05496	0.4
203.10765	1.3
203.94525	0.4
205.12378	0.7
207.13885	9.9
210.46732	0.5
223.13396	4.2
225.14897	3.6
316.37616	0.5
367.17505	2.2
373.11411	4.4
387.20233	7.3
431.19333	0.5
451.32889	1.8
469.16425	2.1
487.15872	2.5
487.30551	100.0
488.30789	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	487.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03436	1.3
59.01380	31.7
61.98825	3.1
63.78981	0.4
67.01864	0.5
68.99807	0.6
69.03448	0.6
69.05984	2.4
71.01384	11.8
73.02951	3.7
81.03461	0.5
82.95413	0.6
83.01376	1.6
83.05025	0.6
84.05877	0.5
84.75456	0.4
85.02939	5.0
87.00863	1.0
89.02445	6.8
93.03466	3.9
95.01381	1.0
97.02970	0.6
98.13839	0.4
99.00880	39.4
100.01214	0.5
100.93365	0.7
101.02445	9.4
109.02975	0.7
111.04535	0.6
113.02452	7.3
113.03239	0.5
113.06091	0.5
116.92834	1.0
119.03526	2.8
121.02973	2.3
121.06545	0.4
122.06111	0.9
123.04488	0.4
123.08161	4.3
125.02563	0.4
128.03568	0.5
131.03517	0.5
134.03745	0.5
135.04504	1.3
137.02448	8.5
137.09718	1.3
139.04034	1.0
143.03471	1.1
148.55997	0.4
152.08374	0.5
153.09207	1.6
159.03040	1.2
160.04111	0.5
161.04561	9.6
163.11293	3.6
165.09169	0.8
167.03529	1.0
167.07106	0.6
173.04549	1.3
175.50168	0.4
179.05598	3.8
189.12859	6.6
191.05630	2.7
192.05919	0.9
193.06131	1.0
195.02820	0.4
203.05496	0.4
203.10765	1.3
203.94525	0.4
205.12378	0.7
207.13885	9.9
210.46732	0.5
223.13396	4.2
225.14897	3.6
316.37616	0.5
367.17505	2.2
373.11411	4.4
387.20233	7.3
431.19333	0.5
451.32889	1.8
469.16425	2.1
487.15872	2.5
487.30551	100.0
488.30789	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	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
56.41290	0.4
57.03439	2.0
57.85556	0.4
59.01377	20.2
60.70790	0.3
61.98819	0.4
68.99796	0.5
69.03455	14.1
69.38765	1.7
71.01379	24.7
72.99290	0.5
73.02943	9.3
75.00880	0.7
83.01387	5.3
85.02948	14.9
86.00078	0.5
87.00871	1.3
89.02448	5.2
95.01381	1.9
97.02931	0.7
98.00113	0.8
98.21895	0.4
99.00877	3.3
101.02441	25.2
111.00876	0.4
113.02448	100.0
114.02775	1.0
116.92888	0.5
119.03513	1.3
123.08089	0.4
125.02430	0.9
129.01930	0.5
135.04527	0.4
143.03502	2.0
145.38191	0.4
159.02994	2.6
161.04556	18.6
173.04594	0.8
187.11191	0.4
355.21313	0.7
373.22290	77.1
374.22653	4.1
414.90588	0.4
487.26041	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	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01378	58.6
60.08900	0.6
61.98830	8.7
69.03454	13.6
70.90586	0.8
71.01378	29.0
71.05002	0.6
73.02940	2.6
77.10976	0.6
82.95428	0.6
83.01379	1.4
83.05033	1.2
85.02950	6.3
87.00874	2.2
88.98783	1.2
89.02444	36.2
93.03449	5.9
95.01389	1.7
98.00085	1.2
99.00865	0.7
99.04515	0.6
101.02438	13.5
102.49112	0.6
107.05006	1.3
108.02206	1.1
113.02446	100.0
114.02792	1.8
116.92859	4.7
119.03505	13.8
120.05789	0.7
122.03719	1.5
123.04524	21.4
125.02446	1.4
131.03510	1.4
135.04543	0.7
137.02435	7.3
139.04062	0.8
143.03528	3.4
149.04559	0.9
161.04517	5.4
161.09752	2.4
161.13338	1.5
173.04590	0.7
179.05595	10.5
187.11279	3.5
189.09227	2.1
191.05556	1.5
199.13426	0.9
205.12386	2.4
210.96986	1.1
221.08179	0.6
237.09814	1.0
249.11246	1.3
271.09711	2.1
289.10806	14.7
290.11392	0.8
325.20197	2.0
371.99829	0.7
373.22293	1.5
451.16129	6.6
487.21359	6.1
487.25754	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	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.95067	0.6
61.98837	0.9
62.01918	0.6
69.41741	2.8
71.05025	1.8
116.55962	0.7
123.97934	0.6
168.86028	0.9
421.30823	1.1
423.32608	1.1
427.32083	1.3
437.30655	1.7
443.35712	1.0
467.31665	2.7
469.33182	14.0
470.33600	1.3
487.34299	100.0
488.34711	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	488.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
61.98835	1.8
67.01920	0.3
69.03447	0.5
69.14991	1.2
71.01369	0.8
80.27760	0.2
80.90336	0.2
82.45665	0.2
82.95439	0.3
84.81963	0.2
85.02935	0.9
87.04516	0.5
93.03426	0.2
96.00858	0.3
101.02457	0.5
111.00865	0.3
113.02448	4.7
117.03171	0.3
117.86552	0.3
118.49729	0.2
125.02464	0.2
131.03542	0.4
143.03403	0.4
144.04501	1.2
145.05327	26.4
146.06119	12.2
147.03328	0.3
153.01686	5.8
159.03259	0.6
163.83272	0.2
166.98637	0.2
167.03304	0.8
177.04300	12.3
190.05087	0.9
191.05684	0.6
195.02654	1.2
212.03279	100.0
213.03613	2.7
230.04422	0.4
297.05844	0.6
326.06326	0.7
374.08511	13.6
375.08817	0.5
382.27621	0.3
394.11517	0.3
488.11688	4.8
488.25949	1.7
489.11673	0.4
489.26730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41721	1.1
53.35829	1.2
54.00169	1.6
59.01378	19.6
61.21827	1.3
61.98820	8.1
69.11378	5.6
69.11781	2.6
71.01374	6.8
73.02960	2.9
85.02924	3.0
87.00835	2.5
89.02439	2.8
98.22644	2.5
101.02428	4.9
107.72343	1.4
113.02452	4.9
120.87964	1.5
132.03981	1.7
148.19196	1.7
157.81734	1.6
161.04535	1.8
191.05678	1.8
209.11816	100.0
210.12158	4.3
221.24689	1.3
235.08163	3.9
239.06967	1.8
253.09265	11.8
445.21115	2.0
475.69000	1.5
488.12903	1.9
488.33063	2.9
489.27026	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	488.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01721	0.6
61.98822	1.0
66.90749	0.5
70.44172	1.3
71.01369	4.3
73.02942	1.0
82.95399	2.7
83.01392	0.6
85.02962	1.3
87.00892	0.7
88.53603	0.5
89.02461	2.6
89.03285	0.7
96.96033	1.0
100.93372	1.1
101.02437	3.3
113.02460	1.8
115.92066	3.3
116.92908	0.7
119.03516	1.8
138.75993	0.5
138.77077	0.5
145.03027	0.7
161.04581	0.8
162.12889	0.8
248.16655	0.7
365.05984	0.6
380.45633	0.7
408.11301	1.2
428.17038	1.1
428.22876	22.6
429.23346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65385	4.1
61.98825	13.3
65.12990	3.8
108.02186	15.4
123.04539	15.3
151.02756	5.0
158.51720	4.0
162.83946	4.5
164.03548	27.9
166.05148	7.0
208.06277	5.2
259.70667	4.6
285.70673	4.8
286.31131	4.4
437.49060	4.4
452.24332	8.1
452.30170	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	488.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29805	36.4
61.98850	95.8
64.93587	39.3
69.91590	100.0
69.91916	40.5
95.01579	41.6
174.06932	42.5
230.28362	42.3
314.38809	46.1
350.15854	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44920	0.9
52.45359	0.8
57.03441	1.3
59.01377	23.4
69.24990	1.0
70.73422	1.9
71.01373	7.1
73.02945	1.9
78.10822	0.8
83.01373	2.6
85.02934	3.7
87.00864	1.0
89.02432	1.9
93.03462	1.9
99.00879	0.9
101.02429	3.9
108.02200	1.0
109.02958	28.0
113.02444	5.3
115.99730	1.1
116.92835	1.4
117.20162	0.8
120.83612	0.9
121.02957	2.2
122.03758	0.9
123.04493	1.6
133.02904	1.4
134.03712	2.1
135.04529	34.0
137.02451	1.0
139.04022	2.1
145.02943	1.7
145.06635	0.9
146.03763	6.0
147.04538	7.4
148.05280	3.5
149.06131	5.2
158.03767	2.3
159.03188	1.6
159.04507	31.2
161.06055	3.2
163.04008	4.4
171.04419	1.6
172.05293	3.0
173.04616	1.6
173.06059	20.8
174.06837	2.7
175.03990	2.2
175.07661	6.9
176.04790	14.7
185.06078	4.0
186.06903	1.3
187.03998	4.9
187.07642	10.8
188.04803	7.4
189.05563	7.9
189.09187	1.6
191.05594	3.6
196.05287	1.0
197.06070	1.7
198.06891	1.7
199.07687	6.8
200.04765	6.4
200.08379	1.4
201.05597	5.5
201.09171	2.3
205.06847	1.8
205.08694	31.3
211.07602	2.8
213.05533	1.2
213.09032	1.1
214.06332	5.1
215.07126	23.3
216.07852	6.4
217.08687	71.4
218.09042	1.5
225.05591	1.9
225.09245	2.9
226.06339	8.8
229.08687	18.7
243.10228	7.0
255.10260	42.5
256.10507	1.3
263.07010	1.2
264.07925	1.8
267.06787	2.1
268.07404	6.8
291.06418	2.0
292.07458	6.8
293.08112	2.3
306.09042	1.6
308.10565	1.3
309.11252	1.8
321.11276	19.7
322.11819	2.0
327.21234	1.4
336.09756	1.6
337.14487	1.2
347.12860	6.4
365.13910	100.0
366.14212	6.5
366.34299	1.1
386.01221	1.1
409.12915	2.6
422.21817	1.2
453.11853	10.4
471.25330	1.2
488.25864	4.9
489.09650	3.5
489.20667	1.1
489.26794	9.2
489.34073	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	489.1038
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01377	5.9
61.98827	10.1
65.00326	0.7
66.33818	0.4
67.01897	0.5
69.52075	1.6
73.02967	0.4
78.41296	0.4
79.06736	0.4
81.52734	0.4
83.01391	0.6
85.02964	0.4
89.02451	0.8
93.03458	1.5
93.97495	0.4
95.01354	0.4
96.22112	0.4
96.70593	0.4
98.21916	0.9
101.02466	0.6
107.01421	2.0
108.02166	0.6
109.02946	0.7
113.02435	0.8
117.05604	0.5
127.05128	1.0
128.03548	1.4
132.02226	1.3
135.00903	1.6
143.05022	0.8
145.06221	1.9
146.06094	2.1
147.06483	0.8
151.00360	1.0
159.04500	0.8
163.00354	2.1
164.01184	0.5
165.01967	0.5
169.06561	0.8
171.04453	0.7
183.04462	0.6
185.06038	1.7
187.03981	2.4
189.05362	0.5
191.05585	1.2
195.04480	1.0
197.06003	1.0
199.03978	0.9
201.05548	0.7
211.03911	2.4
213.05559	1.4
227.03484	32.2
228.03923	0.9
229.05032	8.5
239.03455	1.7
240.04144	0.5
241.04999	0.8
243.03011	0.5
255.02960	63.8
256.03561	5.0
257.04520	5.4
267.02780	0.6
283.02441	0.7
284.03247	84.3
285.04013	100.0
286.04376	3.8
287.16660	0.9
297.04108	0.4
327.05084	0.7
327.21646	0.6
489.10355	48.5
489.27243	2.5
490.10345	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	489.1036
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01361	0.7
63.02395	0.6
65.00323	0.8
69.27346	1.4
83.01376	0.3
92.02666	0.3
93.03448	1.6
107.01396	2.2
107.37840	0.3
108.02165	0.5
109.02940	0.5
117.03416	0.3
120.02125	0.4
132.02179	1.1
135.00877	1.6
136.01790	0.3
143.05008	0.7
145.02959	0.4
151.00362	1.3
154.99811	0.3
155.05090	0.4
157.06644	0.7
159.04500	1.0
163.00363	2.5
164.01172	0.7
165.01985	0.4
167.05022	0.5
169.06625	0.8
171.04478	0.6
183.04509	1.1
185.02434	0.6
185.06065	1.9
187.03975	2.8
189.05533	0.8
190.99852	0.7
195.04468	0.8
197.06030	0.8
199.03969	1.4
200.04790	0.4
211.03975	2.9
212.04773	0.4
213.05547	1.4
227.03490	34.3
228.04015	1.3
229.05031	9.4
230.05389	0.3
239.03513	1.8
240.04243	0.5
241.05136	1.5
241.07320	0.3
255.02968	68.8
256.03622	5.1
257.01782	0.3
257.04520	6.1
267.03012	0.9
282.53299	0.3
283.02426	1.0
284.03250	85.1
285.04013	100.0
286.04346	4.4
327.05103	0.7
339.05359	0.4
436.48752	0.3
489.10367	50.0
490.10757	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	489.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00535	1.3
59.01379	19.0
69.12411	8.7
69.72005	1.4
69.75102	1.3
70.02966	5.5
71.01373	6.7
71.05024	7.6
73.02929	1.6
85.02897	1.4
87.05647	2.8
88.90266	1.4
89.02452	2.1
101.02419	2.9
113.02464	1.9
113.03586	4.3
116.07187	2.0
121.03003	1.5
126.46860	1.5
130.03319	4.3
132.01489	1.0
132.02190	10.8
134.03683	3.9
135.04468	1.9
144.07755	2.3
146.07074	2.8
146.08215	39.9
147.05965	2.2
149.06058	5.8
151.03996	3.0
152.42455	1.2
160.01662	63.3
162.05638	1.5
171.10364	2.3
173.03870	4.5
175.03998	100.0
176.04283	1.9
176.07219	2.3
186.08804	4.8
191.05623	3.4
192.06699	1.9
193.05026	3.9
211.14490	1.9
217.11888	9.3
243.34592	1.5
252.06923	6.4
277.12259	29.9
290.55334	1.7
327.12366	3.7
327.21222	1.3
401.44986	1.5
413.23947	4.9
443.24930	1.7
453.16998	38.1
454.16843	2.3
489.26697	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44634	0.3
57.09504	0.3
59.01376	3.7
61.52937	0.3
61.98829	0.5
67.01886	0.7
69.03457	2.0
69.07535	2.1
71.01379	2.7
71.01712	0.4
80.91648	0.3
81.27396	0.3
82.95419	9.5
85.02948	1.0
85.17276	0.3
89.02449	2.1
93.03479	0.5
96.89543	0.3
99.92575	0.7
100.93333	1.8
101.02437	1.1
101.93355	1.1
105.48019	0.4
111.00866	0.9
113.02451	9.5
115.92056	2.9
116.92088	1.4
116.92834	0.7
119.03505	1.0
119.05080	0.4
121.02943	0.8
122.03743	3.8
127.00384	0.5
131.03528	0.9
131.74725	0.4
133.02965	0.5
134.03708	0.7
135.04539	0.8
136.01663	0.6
139.04016	0.5
143.03522	0.6
149.02423	0.8
149.06064	0.7
150.03226	38.4
151.03900	1.4
161.04610	0.5
162.03194	1.0
165.05565	100.0
166.05885	1.7
177.05533	0.6
179.05655	0.8
180.04210	1.0
191.05650	0.5
195.06609	1.1
213.07681	17.7
214.08008	0.5
222.38058	0.4
224.95924	0.3
375.12897	0.8
409.11386	3.2
489.16214	0.8
513.51807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10061	1.3
54.75373	1.1
55.01862	1.2
58.00583	1.3
59.01378	100.0
69.03457	2.1
70.59422	2.5
71.01382	50.2
73.02941	3.2
76.92878	1.2
78.33290	1.2
82.95424	2.0
83.01379	2.9
85.02955	10.4
87.00833	6.9
89.02442	76.3
95.01391	2.5
95.05010	1.5
96.95996	5.3
100.93333	1.3
101.02452	27.0
103.23624	1.2
108.83888	1.2
111.56601	1.3
113.02454	27.3
114.93419	2.1
116.92873	4.2
117.00033	1.5
117.03465	4.6
119.03495	31.7
119.04922	1.6
120.03712	1.3
121.02982	2.4
131.03510	5.8
133.02925	1.6
133.43152	1.3
135.04520	2.1
139.04019	2.3
143.03511	6.4
145.02957	28.2
146.03754	7.1
147.04495	9.7
149.04494	3.2
149.33168	1.2
150.03194	2.0
161.02460	21.5
161.04536	10.5
162.03224	36.5
163.03967	2.1
165.05589	4.2
165.46584	1.2
177.05577	20.5
179.05612	41.8
180.04337	10.6
180.05841	2.4
193.71217	1.5
195.06601	17.5
200.07661	1.4
327.10721	2.1
357.11893	34.4
358.12088	1.5
375.13031	4.3
485.41904	1.5
511.75687	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44634	0.3
57.09504	0.3
59.01376	3.7
61.52937	0.3
61.98829	0.5
67.01886	0.7
69.03457	2.0
69.07535	2.1
71.01379	2.7
71.01712	0.4
80.91648	0.3
81.27396	0.3
82.95419	9.5
85.02948	1.0
85.17276	0.3
89.02449	2.1
93.03479	0.5
96.89543	0.3
99.92575	0.7
100.93333	1.8
101.02437	1.1
101.93355	1.1
105.48019	0.4
111.00866	0.9
113.02451	9.5
115.92056	2.9
116.92088	1.4
116.92834	0.7
119.03505	1.0
119.05080	0.4
121.02943	0.8
122.03743	3.8
127.00384	0.5
131.03528	0.9
131.74725	0.4
133.02965	0.5
134.03708	0.7
135.04539	0.8
136.01663	0.6
139.04016	0.5
143.03522	0.6
149.02423	0.8
149.06064	0.7
150.03226	38.4
151.03900	1.4
161.04610	0.5
162.03194	1.0
165.05565	100.0
166.05885	1.7
177.05533	0.6
179.05655	0.8
180.04210	1.0
191.05650	0.5
195.06609	1.1
213.07681	17.7
214.08008	0.5
222.38058	0.4
224.95924	0.3
375.12897	0.8
409.11386	3.2
489.16214	0.8
513.51807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01369	1.8
60.42406	0.3
61.98832	0.4
69.03432	0.7
70.45310	0.4
71.01379	3.3
72.99306	0.4
73.02944	0.9
75.00858	1.2
78.38117	0.3
79.15473	0.2
81.03470	0.7
83.01378	0.5
85.02938	3.0
87.00871	0.4
89.02430	0.4
93.03471	0.4
93.93555	0.3
95.01363	0.4
99.00874	1.1
101.02441	1.9
108.02129	0.3
113.01722	0.3
113.02451	4.0
117.03452	0.3
121.02950	6.9
122.02886	0.6
122.03735	9.6
125.02412	0.5
129.01886	0.3
133.90199	0.3
137.02388	0.4
151.43344	0.3
159.03017	0.5
161.04532	3.3
169.10202	1.2
171.08151	4.7
191.05655	0.6
213.09195	100.0
214.09538	3.3
231.04965	0.4
237.09286	0.4
249.06203	2.8
371.05209	0.5
371.09818	9.2
375.14517	3.6
401.12424	0.3
466.51822	0.3
489.13812	1.0
489.27206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.6
59.01384	31.9
61.98826	26.1
71.41226	7.4
93.03479	12.9
99.32195	6.8
106.04235	6.6
112.01664	37.8
126.45580	5.7
127.04005	76.8
133.02910	6.2
134.03767	8.7
144.00655	21.3
144.04137	6.6
161.02461	8.5
162.03210	9.3
163.07735	8.2
164.08472	22.9
173.04526	7.4
177.05560	6.2
179.10806	21.5
188.61372	6.5
189.02010	7.6
221.04536	31.3
285.14996	100.0
300.12411	16.0
327.21948	7.6
350.77457	6.2
369.15976	8.1
428.17072	23.2
429.17459	18.2
446.18173	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09879	0.8
54.92503	0.9
55.01877	2.4
57.03442	1.5
59.01379	100.0
59.88824	0.9
60.01667	0.9
61.98829	1.6
69.03458	2.9
69.20662	4.3
71.01379	43.5
71.05025	1.3
72.09006	0.9
72.99303	2.4
73.02950	4.0
78.57936	0.9
83.01389	3.4
83.05019	2.3
85.02945	12.0
87.00883	2.8
89.02441	42.4
93.03466	1.5
95.01389	3.8
95.05035	2.5
97.06610	2.3
101.02445	22.0
106.57676	0.9
107.05028	4.2
111.00842	1.2
113.02449	21.8
115.04054	0.9
115.07626	3.6
116.92896	0.8
119.03506	20.1
125.09799	1.1
131.03517	2.0
134.03735	1.1
136.05266	1.3
139.11229	2.2
139.62857	0.9
143.03505	3.0
149.04570	2.2
149.09741	1.9
151.11284	40.3
152.11659	1.1
155.10783	0.9
161.04552	5.0
163.00285	0.9
164.07086	1.1
164.08432	2.0
167.10834	2.0
169.06616	1.2
169.12346	2.0
173.04550	1.8
175.11363	1.7
177.09172	8.1
179.03421	0.9
179.03981	1.5
179.05589	17.5
185.11859	3.4
191.05695	1.4
193.12329	3.4
195.10254	82.4
196.10686	2.1
211.13416	3.0
213.05638	2.4
213.11314	24.5
241.08754	3.3
255.03009	1.5
255.12395	1.2
262.12570	1.6
284.03171	2.4
285.04034	1.8
297.18704	0.9
327.21805	3.5
351.56177	1.0
375.16574	34.7
376.16660	1.0
429.24948	1.4
447.26358	1.9
471.24881	1.1
489.15466	2.4
489.27023	31.1
490.27377	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98824	2.4
65.50436	0.4
70.31010	0.8
71.01379	3.0
73.02946	6.7
83.01399	1.8
83.17152	0.4
85.02958	0.9
88.98807	0.4
89.02464	1.4
96.96033	0.5
101.02459	6.1
113.02453	3.0
116.92883	0.7
119.03533	1.0
123.08192	0.4
125.02398	0.4
131.03516	0.8
139.04013	0.7
143.03514	1.0
149.04591	1.7
156.67657	0.4
161.04556	4.2
167.25400	0.4
177.01906	0.5
191.05673	0.6
203.05659	0.7
215.39751	0.4
221.06613	2.5
306.77008	0.4
316.39670	0.5
423.65622	0.4
429.21463	0.7
463.83069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01380	100.0
59.69526	0.2
60.01708	0.7
61.98828	0.8
65.76405	0.2
69.03501	0.3
69.86523	0.6
71.01380	2.9
72.99332	0.4
73.02962	0.7
83.01390	0.3
85.02975	0.8
87.00874	0.5
89.02470	0.7
92.55396	0.3
95.05021	0.3
97.40513	0.3
101.02465	1.2
102.98602	1.4
104.71815	0.2
113.02503	0.9
121.02962	0.5
125.02495	0.6
125.23496	0.2
139.04015	2.2
144.11003	0.2
148.30746	0.2
161.04613	0.6
179.10826	1.1
191.05650	0.6
227.03604	0.5
255.03122	0.9
283.04898	1.9
284.03183	1.2
285.04193	0.4
375.16946	0.4
387.20428	0.6
429.21579	0.8
441.23706	0.3
489.10608	0.8
489.17346	0.3
489.28128	1.4
490.18497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23470	0.3
59.01376	100.0
60.01701	0.4
60.72978	0.3
61.19102	0.3
69.62055	0.9
71.01391	1.4
73.02959	0.8
83.83851	0.3
85.02972	0.8
89.02463	0.9
101.02465	1.1
113.02424	0.4
137.18280	0.3
139.04071	0.7
139.07704	0.5
161.04597	0.6
211.45145	0.3
284.93802	0.3
331.61035	0.3
467.91486	0.3
489.19232	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03444	0.5
59.01379	100.0
60.01707	0.5
61.98817	0.3
68.99809	0.1
69.03452	0.3
69.34948	0.1
69.35228	0.6
71.01382	5.4
72.99319	0.4
73.02950	2.6
75.00875	0.2
81.03459	0.3
83.01383	1.2
83.05027	0.3
85.02953	5.1
86.00091	0.2
87.00877	6.3
89.02449	1.5
93.03462	0.4
95.01414	0.5
95.05030	0.4
97.02966	0.6
97.06618	0.4
99.00881	1.8
101.02444	3.6
101.03088	0.2
107.05043	0.3
108.02210	0.5
109.02994	0.2
111.00884	0.3
111.04523	0.4
112.01680	0.4
113.02451	5.4
113.06091	0.2
119.03490	0.3
121.02984	0.2
123.04527	1.6
123.91010	0.1
125.02417	0.8
125.06091	2.2
129.01982	0.4
131.03546	0.4
139.04045	0.5
141.05565	1.3
143.03490	1.6
151.04036	0.3
153.05563	0.6
159.02977	0.6
161.02451	0.3
161.04556	2.2
167.03609	0.2
169.05070	1.1
173.04582	0.2
191.05664	0.4
197.44281	0.1
198.66757	0.1
201.22116	0.1
205.07275	0.4
205.23822	0.1
215.05583	0.1
219.05180	0.4
226.06325	0.8
233.06679	0.3
241.08711	2.0
242.09093	0.3
268.10898	0.3
283.13400	0.4
284.78778	0.1
314.19543	0.1
315.18085	1.7
326.63800	0.1
355.17572	1.1
399.16876	0.2
402.17181	0.2
411.20343	0.4
429.21265	12.6
430.21637	0.6
447.22339	9.7
448.22937	0.3
489.22021	0.2
489.27838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77193	0.3
59.01378	100.0
60.01708	0.4
60.97531	0.3
61.98832	3.7
64.80483	0.3
67.96194	0.3
69.47468	0.3
69.47807	1.4
71.01371	1.5
73.02974	0.6
74.99113	0.4
76.67619	0.3
85.02974	1.2
89.02461	1.4
101.02467	1.3
113.02489	1.2
118.98073	2.4
119.03568	0.4
139.04019	1.0
153.12453	0.4
161.04608	0.6
177.01962	0.8
179.05705	0.4
179.10832	1.1
191.05725	0.5
201.98187	0.3
207.14059	0.7
283.11859	0.5
311.37695	0.3
312.10999	0.6
325.13107	0.4
369.19089	1.6
374.40140	0.3
385.15036	0.5
387.20419	0.8
429.21381	0.9
471.17383	0.4
489.17752	1.8
489.27621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.4
59.01379	28.5
69.06575	6.1
71.01376	12.8
72.99294	1.4
73.02937	1.3
81.61943	1.0
83.01389	0.8
84.17666	0.9
85.02952	4.4
85.06580	1.6
87.00881	1.7
87.04509	8.6
89.02441	8.1
92.21014	0.9
95.01409	1.1
98.21868	2.1
101.02442	5.5
113.02446	3.5
119.03487	3.0
186.86169	0.9
189.99390	0.9
191.05679	1.2
193.15993	1.5
208.67941	1.0
216.99220	0.8
239.16568	1.8
250.09291	0.9
309.20749	1.7
327.21762	23.8
327.67236	0.9
489.27069	100.0
490.27240	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	489.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08099	0.3
55.01872	0.7
57.03436	0.9
58.00594	2.7
59.01377	31.6
61.11898	0.3
61.98805	0.5
64.52458	0.3
69.03429	0.8
69.18060	0.4
71.01378	13.6
72.99306	0.5
73.02940	2.9
75.00871	0.5
76.57436	0.3
80.69490	0.3
81.03423	0.5
83.01377	1.3
85.02950	3.9
87.00868	1.4
89.02441	10.1
93.03444	1.0
95.01384	1.2
99.00939	0.4
99.80231	0.3
101.02435	9.5
102.64072	0.4
109.02930	1.3
109.06573	0.9
111.00899	0.5
113.02443	5.2
116.92847	0.7
117.92870	0.6
119.01288	0.3
119.03506	3.9
121.02943	0.5
127.07654	4.5
135.04536	1.9
138.85867	0.4
139.04010	1.5
143.03444	0.5
147.04504	0.6
149.04527	0.4
153.12825	3.0
159.04518	1.7
161.04559	0.6
173.04683	0.6
173.06091	1.1
176.04752	0.6
181.12291	0.7
183.01227	0.6
183.13872	0.9
187.07611	0.7
191.05571	0.9
195.13914	1.4
199.13390	1.9
205.08653	1.9
211.13365	1.9
215.07130	1.0
216.07782	0.4
217.08641	3.9
226.06297	0.7
227.03479	0.4
229.08717	1.6
229.19421	0.3
235.13493	0.6
255.10352	2.4
257.13971	1.1
263.20038	0.5
268.07385	0.5
284.03159	0.6
285.03940	0.4
292.07339	0.5
309.20673	2.7
321.11249	0.8
323.21921	0.6
327.21741	24.5
328.22076	0.8
336.83182	0.3
347.12613	0.9
355.32864	0.4
365.13947	5.3
366.14227	0.6
409.12891	0.8
429.24561	0.5
445.05136	0.4
453.11868	0.4
471.26706	0.4
489.27072	100.0
490.27460	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	489.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
58.00584	1.0
59.01376	41.4
66.32430	0.2
69.03456	0.3
69.13007	1.6
71.01373	7.4
71.05042	0.4
72.99304	0.9
73.02943	0.3
86.62093	0.2
89.02441	20.7
91.04003	85.0
92.04333	0.4
94.02303	0.2
182.95558	0.3
251.23811	0.8
277.25336	1.7
279.26907	100.0
280.27277	4.6
297.27939	2.1
323.25888	58.2
324.26199	2.6
341.26929	64.1
342.27322	2.7
397.29572	31.6
398.29849	1.4
415.30609	59.9
416.31061	3.0
467.83807	0.3
473.52499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.00588	0.9
59.01376	41.2
69.03468	0.3
69.13249	2.0
71.01373	7.4
72.99310	0.9
78.95899	1.0
88.51725	0.3
89.02440	21.0
91.04002	89.4
92.04340	0.4
92.61861	0.3
102.07072	0.3
139.00859	0.3
152.99594	1.0
251.23790	0.7
276.32147	0.4
277.25250	1.3
279.26913	100.0
280.27274	4.0
297.28040	1.2
323.25888	54.7
324.26233	2.1
336.94827	0.3
341.26935	60.9
342.27341	2.4
397.29553	29.6
398.29947	1.7
415.30615	57.7
416.31033	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	489.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27572	0.9
57.03428	1.0
58.00584	1.0
59.01375	35.0
60.58775	0.6
61.98825	1.0
69.34379	2.8
71.01376	7.0
78.95882	1.1
89.02443	20.0
91.04001	83.3
106.55982	0.7
120.99074	0.7
123.31162	0.6
125.03999	0.7
152.99564	2.4
165.90298	0.6
253.21640	1.4
273.60675	0.7
277.25146	1.6
279.26901	100.0
280.27243	3.9
297.28012	1.3
323.25873	56.8
324.26227	1.8
341.26926	60.9
342.27310	2.6
397.29553	34.0
415.30597	57.3
416.31091	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	489.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.27484	4.7
73.37770	0.9
89.64584	1.0
98.22670	1.3
99.87193	1.1
150.80197	1.2
158.24660	1.1
192.84891	1.2
213.68478	1.1
232.81981	1.1
260.11371	1.2
355.32147	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	489.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93610	0.4
59.01377	100.0
61.98814	0.6
69.27918	1.2
78.53272	0.4
90.80360	0.4
91.04012	1.6
91.86348	0.4
98.21821	0.7
117.69630	0.4
120.62349	0.4
123.10183	0.4
142.70015	0.4
142.86597	0.4
183.28780	0.3
183.41386	0.4
208.30925	0.4
242.25194	0.4
355.32034	2.3
370.46320	0.5
379.24194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93176	1.5
51.13067	1.6
55.85982	1.4
60.71096	1.5
62.95779	1.7
70.62728	2.3
71.05001	4.4
73.02924	1.6
74.96655	1.4
82.80580	1.5
85.02955	1.9
87.04533	2.4
98.21999	2.0
115.04015	50.1
116.04340	1.8
131.03464	1.6
134.04704	1.8
135.04538	2.3
139.47298	1.7
143.03455	2.9
159.02994	100.0
162.03159	2.0
165.05522	2.9
170.99765	2.1
177.05528	4.5
203.02318	2.4
214.98737	6.2
256.99762	15.2
350.98438	2.0
357.01389	1.8
371.02914	3.7
398.59793	1.6
401.10718	6.1
430.02283	1.6
490.05472	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	490.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14487	1.5
57.74220	1.2
59.01377	100.0
61.98820	2.9
63.51294	1.3
67.01807	1.3
70.18219	1.8
70.18533	2.1
95.18311	1.4
103.82552	1.5
127.03996	4.0
135.45822	1.6
137.75581	1.5
144.87361	2.2
162.83891	2.6
197.69978	1.6
266.89594	1.4
302.13986	1.8
318.03110	1.5
416.16901	8.2
430.18835	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	490.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
59.01378	100.0
61.98823	2.1
69.66267	5.2
71.01395	2.6
85.02927	2.0
89.02447	2.7
93.03436	2.0
97.03017	1.7
112.01649	8.1
127.04011	27.8
144.00638	3.6
152.94667	1.5
202.94252	1.6
205.21193	1.6
240.10907	1.7
243.10124	2.2
268.10629	2.0
287.12921	2.5
302.13922	22.1
310.88840	1.6
354.16998	1.7
368.04681	1.4
385.20023	1.8
416.17386	6.8
430.18555	8.1
453.53751	1.5
491.28784	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	490.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
57.03458	1.3
57.51525	1.0
58.81255	1.1
59.01378	36.2
60.01696	1.1
61.98829	3.5
64.06005	1.1
68.93940	1.1
69.03437	1.0
71.01380	35.9
73.02944	17.2
81.04559	1.1
81.57343	0.9
83.01375	5.6
85.02953	17.1
87.00873	2.6
89.02436	10.5
95.01394	2.1
96.13876	1.0
97.02929	2.3
99.00894	6.6
101.02437	24.5
113.02440	14.0
119.03531	2.0
125.02486	2.1
127.04035	1.0
131.03522	1.5
139.04007	2.0
143.03543	1.6
159.03023	2.8
161.04543	14.1
173.04576	2.0
180.02057	1.2
191.05605	6.2
209.72034	1.2
269.46078	1.0
315.18094	12.3
415.26682	1.2
431.26489	2.5
446.31360	1.4
447.22342	100.0
448.22726	3.3
449.27844	1.6
489.26721	1.4
490.27219	10.9
491.28253	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	490.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03448	1.2
59.01380	17.9
61.98826	3.4
63.77484	0.4
69.10448	2.8
69.87327	0.5
71.01381	29.5
72.99293	0.5
73.02944	15.6
82.95432	0.8
83.01378	4.2
85.02948	13.4
87.00884	1.2
89.02441	10.4
93.03452	0.7
95.01388	2.0
97.02955	1.4
99.00876	4.9
101.02444	22.8
113.02451	14.0
115.04009	0.8
119.03473	1.9
125.02431	1.7
131.03496	1.4
143.03496	1.2
149.04567	1.2
159.03015	2.6
161.04555	11.6
173.04648	0.6
179.07127	0.6
191.05545	0.9
233.06662	0.9
287.12735	0.6
315.18130	14.8
315.21799	0.8
401.12494	1.1
447.22354	100.0
448.22629	5.1
490.21179	0.6
490.27878	1.4
491.28680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.4
56.74717	0.3
57.03460	0.4
57.38822	0.3
59.01380	52.4
61.26338	0.3
61.98821	1.0
65.71267	0.4
69.03470	0.6
69.28982	1.8
71.01382	9.4
71.05029	0.4
72.99339	0.4
73.02944	3.8
75.00880	0.5
82.95407	0.5
83.01386	1.1
83.05023	0.5
85.02949	4.0
87.00909	0.4
89.02441	6.1
95.01398	0.7
97.02968	0.4
97.06605	0.7
98.21869	0.7
99.00870	0.5
99.04525	0.4
101.02440	6.8
103.29581	0.4
107.05032	1.4
113.02449	4.5
116.92857	1.1
119.03468	2.1
123.04494	0.9
123.08167	1.4
124.05315	0.4
125.09744	0.5
131.03445	0.4
134.03740	1.3
135.04526	100.0
136.04892	2.3
137.06047	0.5
138.31621	0.3
139.03996	1.1
143.03490	0.5
151.04016	3.9
153.09206	14.0
154.09567	0.6
155.10585	0.4
159.03018	0.5
161.04550	2.2
169.08694	2.7
177.01871	0.9
179.03496	22.5
180.03795	0.7
197.08179	4.0
215.09207	1.2
243.06738	0.5
313.09140	0.9
329.16034	0.8
341.08755	28.7
342.09076	1.2
371.20633	1.0
377.06818	11.9
377.14459	42.2
378.06760	0.7
378.14789	1.7
431.22916	3.2
441.69080	0.4
455.11862	1.3
455.22693	1.0
490.30261	0.9
491.09552	1.2
491.22293	2.9
491.27747	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	491.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76303	0.4
57.03433	0.5
59.01377	15.5
61.98831	1.6
69.03456	0.5
71.01377	3.7
72.99300	0.5
73.02937	1.8
75.00861	0.7
76.23856	0.3
83.01389	0.5
85.02958	2.1
89.02443	2.4
93.03500	0.4
95.01358	0.4
95.05042	0.5
98.22675	0.7
99.00862	0.6
99.04542	0.3
101.02428	2.7
107.04993	0.5
109.02944	0.5
113.02435	4.3
116.92850	1.2
118.98096	0.5
119.03502	0.8
120.99664	2.6
125.75401	0.3
134.03755	1.5
135.04520	100.0
136.04881	2.3
136.05751	0.4
139.04016	5.3
139.07526	0.3
143.03471	0.3
151.04008	1.4
161.04561	1.5
173.04567	0.5
179.03497	15.5
179.05554	0.7
180.03810	0.4
181.12331	2.7
187.06041	0.4
191.05602	0.9
195.14044	0.4
197.04436	0.4
200.00964	0.8
215.03258	1.2
223.13431	0.5
225.11264	1.6
225.14929	0.7
285.13440	2.0
297.09766	4.5
327.14709	0.4
329.16046	0.7
341.08755	25.1
342.09100	0.9
377.06427	19.4
377.17914	0.8
378.06769	0.8
392.19510	0.4
431.22781	0.9
455.11874	2.2
491.21649	0.7
491.28574	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	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85651	0.7
59.01383	4.2
61.54556	0.8
65.90649	0.9
69.03446	1.1
69.19939	1.2
69.20352	3.2
71.01369	3.4
71.21037	0.8
73.02935	1.5
81.03455	6.3
83.01366	7.1
85.02966	2.5
89.02419	1.9
93.03468	2.4
95.01427	1.0
95.05047	5.4
97.02946	3.5
98.21909	1.9
99.04527	1.8
101.02408	1.6
107.05008	1.6
109.02948	2.6
109.06561	1.3
111.04505	1.4
113.02448	1.1
119.05016	1.9
120.01202	0.9
121.03023	2.3
122.97574	2.0
123.04510	14.3
125.02453	7.6
135.04515	3.0
137.02455	4.3
137.06088	8.0
139.04022	6.2
141.05606	1.1
147.04533	1.8
149.02487	1.2
149.06042	0.8
151.04007	2.5
153.05603	1.4
161.06010	1.8
163.03999	3.8
164.04782	1.3
165.01920	2.6
165.05597	4.0
167.03499	27.2
175.74240	0.8
177.05573	1.7
179.03441	5.4
180.04274	1.0
181.05070	3.4
185.27823	0.8
186.94133	0.9
189.05612	1.8
191.03474	2.4
193.05042	6.0
194.80457	0.9
197.04523	2.6
205.05057	1.1
208.03876	1.1
209.04533	44.5
210.05019	1.0
221.04530	10.0
223.06081	1.4
233.04573	1.2
235.06091	2.6
239.05621	14.3
248.03220	0.9
251.05592	100.0
252.05902	2.6
263.05640	3.8
265.06979	1.3
269.06610	1.6
281.06653	67.8
282.06970	2.2
293.06625	3.0
294.09134	0.9
311.07712	18.3
323.07834	1.4
353.08649	5.8
371.09821	16.6
383.09662	4.2
401.10657	1.8
411.21930	0.9
490.27271	1.0
491.14069	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79221	2.3
54.40385	1.7
55.51185	1.9
59.01379	66.0
59.25043	2.1
61.98824	7.4
64.75622	2.1
69.54164	5.0
71.01382	21.1
72.85114	2.2
73.02943	25.9
80.91708	4.7
81.03452	19.4
83.01385	6.1
85.02945	7.1
86.04560	2.0
86.25750	2.1
87.00869	2.3
89.02438	7.1
97.83098	2.3
98.22570	3.0
99.92585	3.6
101.02438	16.6
113.02444	8.1
116.92842	2.8
119.03477	4.1
121.02975	4.4
123.04494	3.1
125.02432	2.2
130.08728	6.5
134.83611	2.3
137.06085	100.0
138.06410	2.8
161.04480	4.6
163.04047	7.5
165.09262	2.2
191.05598	5.1
207.72240	2.4
213.09187	3.1
213.37160	2.2
225.09189	9.6
226.09987	6.2
227.10898	2.3
243.10249	81.4
244.10561	2.6
251.10777	4.3
254.09502	22.0
269.11826	44.4
287.12759	11.8
371.11649	3.3
387.14276	3.1
401.12204	4.4
409.15088	4.3
431.12918	3.7
431.26419	4.9
447.25998	9.5
476.16629	3.1
490.27939	2.4
491.19330	17.5
491.28870	17.7
495.28177	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	491.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54152	0.9
59.01377	100.0
61.98827	1.4
65.75681	0.8
69.03452	1.1
69.43693	3.0
71.01014	1.2
71.01380	16.5
73.02946	30.4
78.73292	0.8
81.03424	0.8
83.01389	7.3
85.02935	5.2
87.00917	1.0
89.02441	7.2
93.03459	1.6
95.05031	2.6
97.02951	1.2
99.00900	1.3
101.02441	27.1
109.02993	0.9
111.04481	0.9
113.02449	10.2
113.06051	0.9
118.98089	1.2
119.03511	3.2
125.02454	1.3
131.03510	2.6
135.04539	2.2
137.06090	0.9
139.04018	29.2
143.03491	2.8
149.04524	2.8
153.09189	4.2
155.03551	1.2
161.04536	7.3
165.27003	0.8
166.02722	2.4
173.04613	1.5
179.03474	1.0
179.05437	1.0
181.05070	3.0
182.07388	0.9
191.05693	4.2
201.03960	1.0
209.15462	3.4
210.06833	2.6
221.06645	1.8
225.09192	9.9
225.77367	0.8
226.75159	1.0
233.47443	0.9
287.22229	1.1
349.18478	1.0
371.20618	4.5
375.19788	1.0
377.18033	1.1
387.14639	1.3
389.21924	1.8
396.24554	0.9
417.15445	2.9
431.22455	7.7
443.43396	0.8
447.22339	2.0
449.27396	1.7
461.14474	0.9
490.26938	1.3
491.29071	5.5
501.14954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64194	0.5
59.01379	23.0
71.01375	5.6
73.02943	2.7
83.01391	0.7
85.02937	1.6
89.02443	2.8
93.03451	2.8
98.75194	0.5
100.47135	0.6
101.02430	3.0
106.04255	4.7
106.08682	0.6
108.02143	0.7
111.00823	0.9
113.02466	2.8
117.19542	0.6
121.02966	9.0
122.03737	19.8
135.04489	1.0
136.06732	0.6
137.02425	1.2
137.06081	35.4
139.04015	2.3
143.03479	0.5
161.04446	0.7
171.06558	0.6
175.95953	0.5
183.45502	0.5
187.64432	0.5
191.05539	1.0
195.10268	0.8
197.31851	0.7
243.10245	100.0
244.10573	3.8
272.10657	0.8
286.12128	1.6
287.09576	1.1
287.12839	11.3
296.50775	0.6
311.09070	0.7
329.23328	1.6
385.61969	0.6
387.14539	1.4
405.21594	0.7
447.22220	1.9
491.28546	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	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14736	0.5
59.01382	7.0
65.75397	0.4
71.01380	4.5
72.01738	0.6
72.99297	1.3
73.02941	3.9
75.00870	12.7
85.02950	0.6
87.00884	2.0
89.02446	13.0
90.02764	0.6
97.34402	0.5
100.04065	0.6
101.02410	1.2
103.03992	2.5
112.99754	0.4
119.37195	0.5
131.03505	5.7
131.37303	0.6
145.06143	0.8
148.04420	2.2
149.04555	100.0
150.04883	2.3
179.05609	1.0
180.84900	0.5
243.59962	0.5
341.10919	2.6
342.11215	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	491.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00124	1.0
61.98830	100.0
63.85596	0.8
70.01583	1.0
70.42843	1.0
82.71999	0.8
83.19942	0.7
93.03451	1.0
94.32571	0.8
96.71160	0.8
98.22468	1.3
102.80595	0.8
135.41699	1.0
138.56787	0.8
162.83966	1.4
175.34120	0.9
186.00919	1.0
371.72992	0.8
383.93079	0.8
432.15564	1.1
447.18018	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	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01377	100.0
61.78281	0.9
61.98816	2.7
69.03463	1.6
71.01379	18.4
72.00919	1.0
73.02943	29.3
77.56088	0.8
79.48239	0.8
80.59858	0.8
83.01378	7.3
85.02942	7.2
87.00883	1.6
87.04543	1.1
89.02447	8.2
93.03449	2.6
95.01413	1.3
95.04964	0.9
97.02952	0.9
98.22682	2.3
99.00880	1.0
101.02431	26.9
113.02446	12.4
114.58903	0.8
118.98060	3.0
119.03461	3.3
122.06113	2.1
122.88314	0.8
131.03520	1.4
131.62810	0.9
135.04523	3.5
137.62451	0.9
139.03999	12.0
140.03514	1.0
141.06654	0.9
143.03523	2.3
147.04442	1.1
149.04555	5.0
153.09167	1.5
154.13382	0.9
155.03545	1.5
161.04539	9.6
164.07108	3.1
165.07574	1.1
173.04544	2.9
179.03525	1.3
189.12820	0.9
191.05608	9.9
209.15532	0.9
221.06573	1.9
257.08139	0.9
272.91788	1.0
287.12912	1.0
321.08670	1.3
329.23080	1.0
371.20828	4.7
377.18143	2.3
389.21738	2.2
431.22635	3.3
431.27158	1.8
445.20956	1.2
447.17340	2.2
449.27673	1.5
473.15634	0.9
473.62750	0.9
491.17575	8.1
491.23715	3.1
491.28534	5.4
492.16510	1.6
501.15253	3.1
519.86652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01378	100.0
60.85986	0.8
61.98843	1.0
68.99799	0.6
69.43137	3.5
70.61393	0.6
71.01384	15.4
73.02948	26.9
75.00867	1.2
81.03468	0.7
83.01392	5.4
85.02953	3.5
89.02437	8.0
89.02869	0.8
95.01406	2.1
95.05031	1.0
96.96100	0.7
99.00842	1.0
101.02440	25.4
101.06077	0.9
113.02448	13.8
118.98135	2.1
119.03500	5.1
131.03474	3.5
137.09753	6.1
139.04007	9.9
140.04367	0.8
143.03484	3.4
146.40714	0.8
149.04539	5.6
155.03474	0.9
161.04541	12.7
179.05647	1.3
189.13074	0.9
191.05637	2.6
203.05669	1.9
221.06720	4.2
285.03946	0.9
286.04031	0.9
287.04584	1.7
353.64407	0.8
368.13278	0.7
377.18231	2.9
411.20306	2.0
491.11432	0.8
491.21826	0.9
491.29166	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	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03442	1.8
58.78778	0.9
59.01377	100.0
61.63793	1.1
61.98825	2.0
69.07571	6.7
69.82005	1.0
71.01378	19.9
72.55142	1.0
72.99339	1.1
73.02556	2.1
73.02946	27.1
73.73101	1.1
75.25883	1.1
83.01379	6.4
85.02949	4.6
87.00913	1.2
89.02438	8.9
90.65426	1.1
95.05037	2.1
98.21880	2.5
101.02444	27.7
113.02438	13.0
114.08861	1.1
118.98094	2.1
119.03495	3.6
131.03500	2.2
133.02963	1.5
135.04474	1.8
137.09703	5.1
139.04007	23.6
143.03523	3.0
143.80052	1.1
149.04555	6.7
155.03529	1.3
161.04552	12.6
172.90985	1.1
178.74361	1.2
179.03455	2.7
203.05655	1.7
221.06688	3.6
334.38931	1.4
369.19037	1.3
377.18015	4.0
491.21777	1.9
491.28290	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	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48700	1.6
57.01863	2.2
57.03431	2.6
59.01378	85.8
60.60793	1.7
61.98827	5.9
69.03449	5.3
69.20245	1.7
69.28830	8.2
71.01380	58.5
73.02943	9.3
74.02477	3.9
81.03413	4.1
83.01381	3.6
85.02956	9.6
86.02533	1.9
87.00869	3.7
88.98798	2.3
89.02438	73.3
93.03460	4.3
97.02959	13.4
99.00880	13.3
99.04522	5.4
101.02411	13.7
102.98615	4.6
109.02966	2.9
112.89156	1.7
113.02451	10.9
115.03978	9.4
119.03503	3.3
122.03737	14.3
125.02454	34.1
127.04026	3.2
131.03513	11.2
136.01654	2.3
137.06091	24.0
142.57101	1.9
143.03540	2.2
143.04596	2.0
149.04553	13.9
151.04034	4.3
160.05205	2.6
161.04544	1.9
164.04507	1.8
164.07228	4.8
173.04565	4.5
175.07681	1.8
191.05597	18.3
218.02751	2.0
233.06644	24.1
243.06416	2.5
293.08777	100.0
317.10239	5.0
329.13904	10.3
353.04971	2.1
395.98883	2.0
411.10999	2.1
431.15604	13.2
491.16312	5.4
491.22876	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	491.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17355	0.3
54.58974	0.4
55.01872	0.5
57.03459	0.5
58.00591	0.5
59.01378	50.2
60.01716	0.4
61.98837	0.8
62.30503	0.3
71.01381	9.0
72.99323	0.6
73.02951	4.0
83.01381	0.6
85.02946	3.6
87.00893	0.6
89.02441	7.0
93.03455	0.4
95.01402	0.8
95.05032	0.5
96.96037	0.4
97.02948	0.4
97.06580	0.7
98.22631	0.7
99.00916	0.4
101.01051	0.4
101.02436	5.9
107.05022	1.9
113.02442	5.2
116.92839	0.9
119.03506	2.9
123.04501	0.8
123.08195	0.9
124.05223	0.5
125.02505	0.5
125.09731	1.0
131.03590	0.5
134.03728	1.7
135.04523	100.0
136.04852	1.9
139.03992	1.2
151.03998	5.1
153.09212	14.8
161.04575	1.1
169.08704	2.5
177.01892	0.6
179.03491	21.7
180.03828	0.7
188.82269	0.4
191.05620	0.4
197.04582	0.5
197.08157	4.6
197.11838	0.6
209.11795	0.4
215.09160	1.1
227.12839	0.4
243.06693	0.4
297.09839	0.7
313.09344	1.8
329.15903	0.7
341.08749	32.2
342.09097	1.4
347.16626	0.4
371.20667	1.2
377.06784	14.0
377.14462	47.1
378.06549	0.8
378.14731	1.9
389.21423	0.9
431.22757	3.8
455.11871	1.3
455.22568	0.6
490.30087	0.5
491.09421	1.3
491.21274	1.6
491.28625	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76563	0.8
55.01875	1.0
57.03477	0.9
58.00584	1.0
59.01379	91.6
61.98829	3.6
66.99898	1.0
69.16621	4.4
71.01381	44.5
71.05037	0.9
72.99273	1.8
73.02933	2.6
82.04790	0.9
83.01374	2.7
85.02948	8.3
87.00883	2.0
89.02444	46.3
95.01385	2.7
99.00878	1.2
101.02440	22.6
113.02448	16.6
119.03500	18.6
131.03505	1.8
143.03471	2.9
146.08249	2.6
149.04547	2.0
155.08618	5.1
160.01651	2.4
161.04549	3.7
175.03984	5.2
175.05312	0.8
179.05608	7.0
191.05612	1.4
201.50334	0.9
221.13278	9.8
223.14905	100.0
224.15202	3.4
225.12856	2.0
237.12830	22.0
241.15993	2.3
255.13745	1.5
257.33130	1.0
267.13855	3.3
277.12338	1.2
285.14972	3.3
311.12860	15.8
329.23331	1.6
334.01743	0.8
387.89542	0.9
453.17053	2.4
491.19177	34.5
491.28558	21.3
492.19705	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	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71065	0.9
59.01378	58.6
61.98817	1.2
69.50358	3.7
71.01373	9.6
73.02947	22.0
77.94193	0.9
83.01392	4.9
83.01835	1.1
85.02974	1.4
89.02455	2.5
93.03459	1.3
97.02975	1.8
101.02443	12.1
107.04980	0.9
113.02453	4.4
117.78745	1.0
119.03488	0.9
120.99645	1.9
121.02969	1.7
123.04436	0.9
125.02483	1.6
130.08667	0.9
131.03529	1.0
131.92726	0.9
135.04556	2.3
136.05319	4.2
137.02455	0.9
139.10573	1.1
151.04034	3.3
161.04570	1.7
163.03992	7.2
164.04808	8.5
165.05582	1.6
166.06319	1.1
173.06042	0.9
176.74992	0.8
179.07138	23.6
196.38461	0.8
213.09233	2.6
225.09206	25.9
226.10002	7.0
227.10774	2.8
251.10773	3.1
253.08694	39.3
254.09473	46.6
268.08835	0.9
268.11032	52.4
269.11826	100.0
270.12177	3.8
287.12827	1.9
337.26614	1.0
371.11285	2.1
399.34308	1.0
401.12543	2.2
431.17081	49.7
432.17303	2.8
476.16858	2.6
491.19156	14.9
491.28491	4.0
492.19131	1.1
496.31726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
55.01871	0.9
57.03440	0.6
58.00599	0.7
59.01375	50.4
71.01378	21.1
71.01782	0.8
72.90376	0.3
72.99285	0.5
73.02949	0.5
83.01384	1.4
85.02953	5.6
87.00844	0.4
89.02442	18.7
95.01372	1.8
100.23372	0.4
101.02441	13.9
103.07139	0.3
109.06564	0.7
113.02444	7.9
118.97065	0.4
119.03498	8.9
119.04324	0.6
130.03523	0.4
131.03519	0.7
143.03549	0.5
155.08650	5.8
179.05569	0.6
179.08638	0.6
185.92029	0.3
193.10217	1.6
207.11758	0.8
219.11833	0.6
221.13310	9.9
222.13766	0.6
223.14903	100.0
224.15215	4.4
225.12833	0.9
228.46909	0.4
235.11308	0.6
237.12830	17.0
241.16016	1.7
253.12312	0.9
255.13896	1.2
267.13855	5.8
267.16483	0.7
285.14899	2.0
344.69897	0.4
353.43829	0.4
491.19217	68.9
492.19577	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	491.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.88586	0.2
59.01384	1.1
69.05173	1.4
71.01360	0.7
87.13042	0.2
89.02428	0.3
93.03480	0.3
113.02500	0.4
117.78494	0.2
118.66993	0.2
121.02956	8.0
135.04521	1.3
136.05301	10.5
137.06041	0.3
149.06032	0.2
149.30978	0.2
151.03850	0.3
151.07634	0.8
184.05235	0.2
185.06097	0.4
195.08191	0.3
196.08937	4.7
211.07652	0.7
212.08293	0.2
213.09172	0.4
215.07152	0.3
226.06427	0.3
227.10789	3.5
239.07071	0.4
240.07930	0.9
241.08672	0.7
255.10297	0.4
256.07544	0.4
257.08221	1.0
271.09641	0.4
272.10538	12.7
273.11005	0.5
287.12891	100.0
288.13235	3.4
311.12961	0.4
314.06583	0.3
324.51138	0.2
371.14978	0.9
418.43213	0.2
431.17065	0.8
453.17557	0.4
457.15308	0.2
491.28201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04978	0.6
58.25922	0.6
59.01376	8.9
61.98836	5.3
62.14207	0.6
69.30219	3.0
71.01370	2.2
73.02946	0.9
75.74616	0.7
80.88561	0.8
83.01390	0.8
87.00880	0.8
89.02423	0.9
93.03456	2.8
96.56240	0.7
98.21920	0.9
101.02449	1.7
106.04250	1.3
119.47329	0.7
121.02142	1.3
121.02959	17.7
123.04484	0.8
137.06093	5.6
151.04022	1.6
165.05565	14.5
166.06355	23.2
167.06712	0.9
191.05676	0.8
192.80080	0.7
215.77693	0.7
253.95111	0.8
255.10429	1.0
257.08228	1.1
269.11731	1.4
272.10526	28.3
273.10886	0.9
285.11371	1.7
286.11981	1.3
287.12881	100.0
288.13168	4.5
324.06985	0.7
329.23419	1.6
431.17328	1.4
449.18457	1.4
491.19281	8.8
491.28610	18.4
492.28824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03451	0.8
59.01377	39.8
60.80270	0.7
68.36810	0.7
71.01381	17.7
73.02556	1.3
73.02944	17.5
83.01391	4.6
85.02948	5.8
85.06567	2.3
86.74430	0.7
87.00873	2.5
89.02435	5.5
95.01379	1.1
97.06601	0.7
98.22672	1.8
99.00867	3.2
99.82007	0.7
101.01797	1.1
101.02444	17.2
113.02457	6.1
119.03503	2.8
125.02439	0.9
131.03528	1.0
143.03479	1.1
155.14395	7.5
161.04521	2.5
174.58633	0.7
181.15962	3.0
199.13393	14.6
225.14909	3.9
243.96817	0.7
244.07335	1.0
259.09726	2.4
269.11774	1.7
287.09189	1.9
301.12982	0.9
387.20245	8.3
405.21310	15.4
447.22318	100.0
448.22479	4.0
491.28177	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	491.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06073	1.2
57.03440	3.7
59.01378	100.0
69.03436	1.8
69.48781	5.4
71.01382	26.4
72.99286	1.9
73.02950	18.9
75.00859	5.6
79.08810	1.3
83.01373	4.6
84.93828	1.5
85.02950	6.9
87.00874	2.9
87.88645	1.4
89.02437	23.0
95.01363	1.5
96.96006	7.7
99.92574	5.9
100.93365	7.2
101.02446	22.2
103.00371	5.2
103.01485	8.0
103.04010	4.3
105.01919	3.4
111.04459	1.4
113.02459	11.7
114.93407	1.7
115.92085	4.6
116.92863	15.0
117.92845	1.5
119.03511	9.0
125.02387	2.1
131.03525	3.0
135.04526	1.9
143.03528	3.8
149.09737	4.2
152.04361	1.4
153.09158	1.7
161.04553	10.4
167.10760	7.5
174.48116	1.3
174.84918	1.5
179.05626	10.6
186.99210	3.0
191.05646	3.6
195.06525	1.4
196.95396	1.4
215.02454	2.7
215.09438	1.5
221.06609	1.9
317.05450	4.2
387.20364	4.0
405.21188	1.7
431.08936	3.2
431.22833	7.2
445.17130	5.1
447.22510	2.8
491.05237	5.1
491.23166	2.3
509.67819	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49392	1.2
52.60609	1.3
55.01857	1.8
57.03418	1.8
59.01379	100.0
61.98812	2.4
66.01514	1.1
69.03447	1.8
69.36719	3.0
69.37115	3.7
71.01382	37.3
73.02944	40.7
83.01397	7.8
85.02953	8.2
87.00870	2.8
87.04525	1.3
88.74815	1.1
89.02435	13.1
93.03471	2.7
95.05008	2.0
97.02882	1.5
97.06592	1.4
99.00890	2.2
101.02447	33.2
113.02454	12.6
115.03977	2.5
118.98095	4.1
119.03504	4.0
122.03743	3.6
125.02448	2.5
131.03488	2.7
135.04532	2.5
137.02402	2.0
137.06081	2.8
139.03021	2.4
139.04013	28.3
143.03506	2.7
149.04565	3.0
153.12846	8.8
161.04602	6.8
173.04527	3.4
179.05588	1.4
191.05589	8.4
197.11755	1.9
199.13370	3.0
201.04019	1.9
221.06436	1.4
225.14964	4.7
330.98630	1.5
349.18719	1.5
371.20749	2.1
375.20096	1.6
377.17987	3.5
387.20059	2.9
389.21805	1.7
405.21149	5.4
407.24731	1.4
431.26382	5.0
444.52457	1.3
447.22333	78.1
448.22433	3.7
449.27441	3.2
491.08945	1.9
491.28867	7.3
501.15509	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52044	0.8
59.01378	57.2
69.03431	1.6
69.32787	2.9
71.01379	45.1
73.02943	48.2
83.01381	8.2
85.02955	4.6
87.00902	1.1
89.02450	9.6
95.01356	1.0
97.02980	1.0
99.00858	1.1
99.04481	0.8
101.02437	29.9
113.02451	8.9
119.03497	3.3
122.03728	1.2
125.02409	1.4
127.11251	1.5
128.13916	1.0
131.03517	1.9
135.04449	0.9
137.06073	1.9
139.11221	1.1
140.94231	0.9
143.03461	1.9
148.60622	0.9
149.04562	1.5
153.12845	4.2
158.21094	0.8
161.04570	3.3
183.92436	0.9
199.13405	6.5
225.14941	3.1
243.10179	5.0
243.15883	1.0
306.59360	1.0
387.20209	3.4
405.21194	9.3
405.26135	1.3
429.21436	1.2
447.22327	100.0
448.22696	4.9
491.28766	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	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01376	100.0
60.01707	1.8
61.98828	9.7
69.03452	0.9
69.15864	1.0
71.01376	18.6
73.02940	13.3
75.00860	1.1
82.95407	1.7
83.01376	2.5
85.02945	5.5
87.00858	1.6
89.02438	13.9
89.99466	1.0
90.12956	0.8
93.03466	0.9
95.01382	1.8
96.96017	1.6
99.00858	1.9
99.92564	1.7
101.02438	15.3
113.02436	11.6
114.43819	0.9
115.04004	2.2
115.92044	1.9
116.92864	7.1
119.03498	4.0
121.02934	2.3
131.03525	1.5
133.02985	0.9
134.03745	1.0
135.04521	2.8
139.04025	1.2
143.03415	1.7
149.04504	1.7
150.03223	1.2
153.01929	1.5
153.09225	2.3
161.04547	4.8
165.05568	2.2
177.02007	0.9
179.03493	1.1
179.05676	2.5
191.07181	1.2
193.05096	1.4
195.06462	1.1
196.45685	1.0
235.06122	1.3
243.15906	3.9
291.92865	1.1
357.14401	1.2
377.14340	1.3
387.20166	15.9
405.21393	5.9
431.22726	4.3
447.22272	12.1
476.19916	1.2
491.21033	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.2
58.27935	1.2
59.01379	100.0
61.98822	5.7
69.45732	5.5
71.01379	21.0
73.02951	18.8
75.00846	2.2
83.01379	3.2
85.02967	8.2
88.98807	4.1
89.02426	11.0
95.01424	1.3
96.96015	2.0
99.00900	1.6
99.92558	1.8
100.93357	2.6
101.02437	16.5
113.02469	11.0
115.92093	1.7
116.92851	6.3
119.03503	5.7
131.03470	2.7
135.08131	1.7
143.03468	2.1
149.04620	1.5
149.09731	11.5
153.09221	4.1
160.19183	1.3
161.04553	5.4
167.10797	19.3
178.26344	1.1
179.05634	2.5
191.05589	2.2
209.11797	1.3
219.52361	1.4
225.14873	1.8
237.82376	1.3
243.15997	4.0
372.17151	1.3
377.06406	2.4
387.20151	4.5
405.21255	2.4
431.22766	12.4
447.22430	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	491.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85945	2.7
57.27460	2.6
59.01376	100.0
61.74452	3.3
61.98830	24.2
69.12840	19.8
73.62787	3.5
89.49274	3.3
101.02434	3.2
111.37385	3.8
129.10316	8.8
151.04039	2.9
161.04506	3.8
164.07156	9.1
167.73256	3.6
175.13652	2.9
180.37465	3.1
191.05663	3.4
222.23885	3.2
239.04269	3.0
337.24326	3.3
404.38037	3.2
447.26251	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32718	8.8
59.01378	100.0
61.89293	8.2
61.98812	32.9
65.43251	8.7
70.59331	20.7
71.01366	20.1
74.00094	8.6
85.02941	10.6
101.02439	10.5
105.05309	9.8
109.21348	9.1
113.02380	10.8
191.05521	27.4
215.03235	14.6
235.93301	10.2
302.92801	10.3
343.34488	9.6
369.58469	10.9
419.67285	11.2
431.22653	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	491.2662
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.54634	0.4
57.15958	0.4
60.49984	0.4
60.62803	0.4
66.03481	0.6
69.17490	1.8
69.17892	0.7
69.39860	0.4
71.02500	3.9
82.01714	1.0
85.35272	0.5
91.05509	0.7
93.24425	0.4
97.00429	0.4
98.01247	0.4
99.01982	0.5
110.03571	1.3
111.01978	1.4
115.07974	0.7
115.08765	11.3
116.05022	1.2
117.40372	0.5
118.06635	3.9
125.07182	3.2
126.05600	1.3
141.06673	4.4
146.06136	9.7
152.08289	1.0
153.06682	0.7
163.08720	1.3
164.09550	0.4
167.11896	0.5
168.07782	0.9
169.13469	0.9
170.09317	3.2
173.07164	1.4
174.05530	0.7
179.11916	4.1
180.69926	0.5
184.97203	0.5
192.07683	0.5
194.12964	1.1
196.14430	0.6
197.08014	0.6
197.12961	1.2
200.10802	1.7
201.06612	0.6
202.12358	0.8
214.15581	4.4
217.13399	1.5
222.12340	0.6
227.11961	2.2
228.10222	2.6
240.07764	1.1
240.13478	0.9
245.12868	3.2
248.10895	0.8
251.14888	0.5
262.15579	3.0
269.16068	1.0
276.10315	0.7
283.13208	0.5
293.12692	0.8
299.17621	1.0
316.19693	0.5
326.18668	6.7
337.34442	0.5
339.14795	0.6
344.19806	2.3
364.20206	0.5
422.93243	0.4
424.70001	0.5
473.25656	0.5
491.26611	100.0
492.26886	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	491.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.05069	42.8
70.63703	79.6
96.95979	68.2
98.22031	58.5
100.53736	46.0
185.36470	66.9
198.11064	48.4
217.36972	50.0
352.66302	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	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.63532	0.4
57.03450	1.1
59.01380	36.3
61.98830	0.9
69.03448	1.2
69.35746	0.4
71.01381	12.6
72.99251	0.9
73.02956	3.1
75.00862	0.5
78.02700	0.4
83.01402	2.1
85.02955	5.7
86.00075	0.4
87.00877	4.1
89.02432	3.4
93.03478	0.8
95.01386	1.5
97.02939	0.7
99.00882	1.1
101.02441	7.5
106.04205	0.5
111.00911	0.9
113.02452	4.0
118.98177	0.4
119.03514	1.2
120.23250	0.4
121.02972	0.5
122.03741	2.4
124.01669	1.0
125.02452	2.3
127.04036	0.8
127.11286	1.2
137.02505	0.5
137.06105	4.0
139.03987	0.6
143.03464	0.8
153.12830	0.8
159.02950	0.4
160.48436	0.4
161.04663	0.5
173.04623	0.9
179.05620	0.6
191.05655	1.6
197.11841	0.7
241.21619	0.4
243.10246	11.5
255.93588	0.5
259.09677	0.8
269.21167	4.3
285.20764	0.8
287.09341	0.9
287.22281	34.0
288.22629	0.8
299.22330	1.3
311.21933	0.5
329.23245	2.1
431.26498	15.2
432.26611	0.8
447.22012	0.5
449.27533	36.9
450.28027	1.3
491.28586	100.0
492.28934	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	491.2859
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01868	1.0
57.03438	0.8
57.40718	0.4
58.00575	1.5
59.01377	27.8
60.46453	0.4
69.06816	1.7
69.07243	1.3
69.15233	0.5
71.01380	11.5
72.01713	0.4
72.99306	0.5
73.02937	1.3
83.01363	1.2
85.02950	2.5
87.00855	0.8
89.01897	0.4
89.02434	10.2
95.01414	0.8
97.38519	0.4
98.21896	1.1
99.08156	6.8
101.02430	8.4
113.02455	4.0
113.09689	0.5
117.89315	0.5
119.03493	3.3
123.08154	0.5
127.07657	1.3
129.09215	11.3
153.12856	4.5
165.12820	0.5
173.04517	0.4
181.12361	0.7
188.46614	0.5
191.05490	0.6
195.13934	0.9
199.13396	1.4
311.22168	2.3
329.23325	27.6
330.23648	0.8
371.24237	0.5
473.57443	0.6
491.28592	100.0
492.28983	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	491.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17677	0.8
59.01363	1.2
66.37505	0.9
69.85911	2.3
70.59527	0.8
78.95899	6.8
80.41080	0.8
96.96935	0.9
97.25185	0.7
98.56389	0.8
117.03453	19.2
118.04245	3.6
119.05032	9.8
121.02944	2.1
145.02943	100.0
146.03297	1.9
152.99561	9.3
158.16547	0.8
163.04001	5.9
199.23598	0.8
271.22806	8.1
331.26367	6.3
355.26730	1.0
399.25336	24.1
400.25912	1.2
417.26401	16.7
418.26865	1.1
433.23685	3.2
491.18997	2.0
491.30127	48.2
492.30380	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	491.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86954	0.2
59.01381	1.9
61.98805	0.2
66.34891	0.2
68.59167	0.2
68.65868	0.2
71.01381	0.4
76.56790	0.2
78.95905	9.1
89.02451	0.5
91.04000	1.3
96.96957	1.2
113.07738	0.2
114.80334	0.2
117.03469	19.4
117.07130	0.2
118.04272	2.9
119.05025	10.3
120.05369	0.3
121.02952	1.8
123.04549	0.5
132.05904	0.2
133.02954	0.5
136.91798	0.7
145.02951	100.0
146.03273	1.8
150.98019	0.2
152.99585	17.1
156.05817	0.3
162.03204	0.5
163.04010	6.1
171.00671	0.6
176.81021	0.2
207.51100	0.2
210.95569	0.5
225.22237	0.5
269.21252	0.2
271.22794	7.8
331.26422	6.9
332.27054	0.3
355.26382	1.4
399.25385	27.6
400.25677	1.0
417.26440	19.5
418.26727	1.1
419.24252	0.2
433.23495	3.8
491.19904	3.2
491.30124	52.9
492.30518	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	491.3012
Annotation	Lemnabourside C
Peak:m/z	Relative Intensity
57.03448	9.3
59.01369	1.0
61.98830	1.1
69.03451	1.8
69.21484	0.4
69.37827	1.8
71.20613	0.4
75.39740	0.4
78.68121	0.4
98.93050	0.4
101.06079	9.0
106.02616	0.4
107.05045	2.3
109.06586	47.4
110.06954	0.6
114.63301	0.5
121.33212	0.5
135.53851	0.4
222.18971	0.5
238.69931	0.4
245.66789	0.5
255.64322	0.5
273.22260	1.4
301.25174	0.9
315.23178	2.1
319.22726	0.7
327.23270	1.1
343.26385	6.1
359.25974	2.7
375.28992	12.2
387.29263	2.4
411.28998	0.9
413.26956	0.8
429.30081	4.6
447.31131	37.7
448.31464	1.8
485.29739	0.5
491.30112	100.0
492.30417	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	491.3013
Annotation	Lemnabourside C
Peak:m/z	Relative Intensity
57.03442	6.0
59.01363	2.6
61.98836	9.2
67.72649	1.8
69.03437	2.7
70.14404	4.1
70.14764	2.8
101.06084	7.3
109.06590	45.8
233.27850	1.9
282.53146	1.9
343.26346	6.5
359.26038	2.2
370.50854	1.8
371.29413	2.2
375.29056	10.5
387.29153	2.1
429.29889	4.3
447.31079	35.9
448.31644	2.8
491.30124	100.0
492.30270	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	491.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94648	1.4
57.03447	9.0
59.01358	4.4
61.98811	4.0
69.03477	1.7
69.49361	2.7
69.49765	5.1
70.79502	1.6
72.17719	1.4
75.60464	1.5
78.68172	1.7
88.14088	1.4
93.03428	2.6
109.06586	51.7
109.07355	3.4
115.23528	1.5
121.85225	1.6
149.74586	1.6
165.05901	1.6
202.98869	1.6
204.12085	1.8
299.23782	10.4
327.26849	8.1
355.96545	1.4
375.29068	10.2
376.71957	1.7
429.30197	6.4
447.31137	35.9
491.30090	100.0
492.30267	6.3
519.67163	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	492.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98816	2.3
64.44217	0.5
71.01370	3.2
73.02946	1.8
85.02957	1.0
89.02509	0.6
93.03493	0.9
99.27786	0.6
101.02442	1.7
113.02459	1.5
121.02956	6.3
122.54671	0.5
122.61909	0.6
135.04524	1.0
136.05302	6.2
151.07675	0.6
161.04549	1.9
173.04477	0.7
196.08897	3.1
207.10260	0.8
208.10582	0.7
241.08717	1.1
257.08206	0.6
272.10559	10.5
278.33865	0.6
287.12885	100.0
288.13254	4.1
297.18268	0.5
449.18219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64199	0.2
50.71991	0.3
59.01379	100.0
60.01711	0.4
61.98831	1.9
69.34687	1.1
71.01379	0.7
82.95441	0.3
85.02987	0.3
87.00880	0.8
89.02446	0.4
101.02473	0.5
111.83382	0.3
120.01250	1.3
138.92879	0.3
149.02528	0.3
153.05603	0.6
155.03500	0.3
192.38356	0.3
400.17587	1.3
414.19043	1.3
418.18695	1.9
432.20551	0.8
456.28067	0.3
492.25000	0.4
493.22983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82349	0.5
59.01380	100.0
61.98832	1.2
71.04910	0.6
90.93697	0.5
120.99654	1.3
127.04033	0.6
132.35217	0.6
139.00346	0.6
230.40964	0.5
418.18903	3.8
432.20224	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	492.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62972	0.7
57.63189	0.7
58.02978	3.4
59.01374	7.1
61.98829	17.8
69.01302	0.7
70.48022	1.6
71.01389	1.0
73.04028	0.8
74.02469	0.8
80.77634	0.6
87.05640	13.1
88.04043	0.7
93.03442	0.9
94.33553	0.8
101.07177	0.8
110.02451	2.0
111.05647	1.6
115.08759	0.9
116.07178	1.4
120.99632	1.5
126.05659	0.8
126.06733	1.4
127.05133	0.7
129.06708	26.5
129.07678	1.5
129.10344	0.6
130.08737	46.9
131.09070	0.8
140.03485	0.7
143.11925	0.8
144.07803	5.4
151.08809	0.7
155.08237	0.8
167.06949	0.9
167.08240	1.7
167.73064	0.7
168.07697	1.1
168.09035	1.6
174.60515	0.7
182.12926	1.6
185.16621	9.8
186.08835	2.9
187.07210	1.1
211.14507	1.9
211.91745	0.7
214.13838	0.7
214.15692	1.0
224.14021	2.7
229.15546	6.9
232.05974	0.6
242.18777	5.8
268.13171	0.9
275.45148	0.7
280.44061	0.7
286.17633	1.0
298.17706	1.8
313.22458	5.7
316.96695	0.7
355.23590	1.8
357.21347	1.2
358.73453	0.7
399.22464	26.9
400.22729	1.6
411.22641	2.0
429.23517	100.0
430.23795	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	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
59.01386	2.2
59.31165	1.0
61.98820	2.1
71.41770	1.0
78.95899	12.4
113.09701	2.1
115.87852	0.8
140.01157	2.9
152.99536	1.6
155.40689	0.8
179.14307	1.0
181.12297	1.1
195.13907	16.5
196.03824	2.5
209.11821	1.1
214.04871	5.6
277.21686	14.9
295.22775	100.0
296.23108	3.5
419.05548	1.0
492.27283	32.3
492.34537	1.6
493.27881	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	492.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84122	0.8
61.98828	100.0
62.80676	1.3
78.95912	1.3
98.24672	1.0
152.99571	1.9
160.84169	1.0
202.88829	1.3
220.85399	2.3
237.37979	1.0
282.80280	1.0
301.79083	1.1
413.88040	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	492.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03695	0.5
58.21318	0.5
59.01377	1.9
61.98827	100.0
62.31770	0.6
70.02569	0.5
70.97789	0.7
78.95907	1.3
82.93021	0.5
83.46427	0.5
89.54537	0.6
103.24914	0.5
152.99564	1.4
362.54147	0.6
455.33038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44078	2.0
61.98829	100.0
73.16605	2.1
78.95887	6.1
102.26059	2.3
105.43449	2.6
114.25426	2.6
152.99603	10.4
213.55222	2.5
248.99155	2.2
255.23412	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	493.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.5
59.01628	1.3
59.56078	1.4
70.96201	1.9
71.01393	4.3
71.05031	1.7
76.17578	1.5
77.89198	1.5
85.02957	1.5
89.02450	2.9
90.97134	1.9
99.04527	6.2
109.66491	1.4
115.04012	6.1
116.92838	2.3
118.96629	3.5
130.96648	3.5
131.03500	3.2
143.00244	4.5
143.03499	25.8
146.96144	7.2
159.03003	3.5
161.04524	15.0
170.99753	5.5
173.01317	6.5
179.05446	1.7
182.99747	4.0
186.99245	8.8
197.01317	15.3
198.99210	4.7
201.00800	4.8
213.00841	1.8
215.02423	13.6
217.00275	26.8
226.98718	2.3
241.00285	15.4
259.01334	100.0
260.01578	2.0
271.01324	3.8
289.02487	2.7
297.02917	2.2
313.02417	17.2
327.03998	5.0
331.03470	25.3
343.03442	9.8
355.03473	2.8
361.04416	10.9
373.04498	66.5
374.04907	3.4
403.05576	5.8
427.22897	1.5
433.06573	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	493.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	55.5
61.98830	100.0
62.95367	6.0
69.38818	6.3
71.01372	23.1
79.64574	6.4
85.02959	14.0
89.02454	16.7
112.04073	7.7
113.02476	9.5
116.92896	7.4
125.02465	12.0
135.04427	7.5
137.02516	10.0
146.06190	15.4
162.11037	6.7
179.03519	7.9
190.04974	8.9
191.05634	15.0
205.06163	7.0
216.98997	8.4
257.10858	7.0
293.08835	33.4
380.56268	7.4
465.27658	7.4
493.14722	23.3
493.20764	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	493.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	14.0
63.48698	2.5
79.50307	2.5
96.96024	4.8
97.02950	6.0
101.36051	2.7
101.85184	2.8
109.02956	26.0
121.02924	3.3
123.04511	15.1
125.02436	17.9
131.03391	2.9
135.04492	3.9
137.02448	9.8
138.03200	2.8
139.04002	3.5
149.02426	4.1
151.04002	5.3
159.04414	3.1
161.06090	3.8
164.01184	3.6
167.12532	2.8
179.03519	6.2
191.05605	10.0
203.07086	12.1
205.05028	4.1
206.05939	2.8
245.08217	19.2
289.07166	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	493.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52300	0.1
59.01373	2.3
65.19023	0.1
71.01363	0.4
73.02940	0.3
79.05560	0.1
81.03452	0.5
83.01424	0.2
87.04502	1.1
89.02440	0.2
93.03416	0.2
95.05008	0.7
98.22596	0.4
101.02470	0.4
108.02169	2.6
109.02980	0.2
113.52890	0.1
121.02959	0.6
122.03736	5.5
123.04523	100.0
124.04855	1.4
137.02437	0.6
151.04036	0.2
197.06091	0.2
197.48181	0.1
214.89810	0.2
240.04274	0.5
241.04944	0.2
255.06647	2.4
256.07367	0.4
271.09753	5.0
272.10062	0.3
287.09290	0.6
288.09906	0.2
289.10806	66.2
290.11142	2.5
297.15805	0.1
493.17035	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	493.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12834	0.9
55.01873	1.8
57.03442	1.0
59.01378	40.9
61.98835	5.2
68.99813	2.0
69.03451	1.1
71.01380	23.6
71.42006	0.9
71.87695	0.8
73.02940	8.5
75.00872	1.2
83.01382	3.3
83.05026	1.3
85.02956	8.7
87.00872	1.0
89.02447	9.4
93.03454	2.8
95.01375	1.7
95.05022	0.8
97.02927	1.3
98.27161	0.9
98.83376	0.9
99.00900	2.7
101.02425	15.5
108.02209	2.3
113.02450	9.0
119.03484	2.5
121.02932	3.5
122.03724	10.2
123.04523	100.0
124.04846	1.4
125.02453	1.9
135.04552	1.2
137.02437	2.0
139.04025	3.8
148.35373	0.8
159.02995	1.9
160.15706	0.9
161.04593	6.1
165.05563	7.3
171.10266	1.4
179.05638	0.9
189.05577	1.6
191.05641	2.5
203.07117	1.4
255.06689	2.4
267.08722	1.8
271.09756	7.3
288.10025	1.5
289.10815	58.9
290.11014	1.6
313.23917	6.4
315.18054	5.0
329.23444	2.0
331.11832	3.1
331.24896	14.5
379.19739	3.7
433.14929	8.1
447.22296	36.5
448.22430	1.6
451.15714	5.9
493.30167	55.7
494.30402	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	493.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32990	0.6
54.15473	0.7
56.76096	0.5
69.03453	0.7
70.27805	1.4
71.05010	3.4
78.95920	1.1
85.02946	0.5
86.81882	0.5
87.04523	2.2
96.96022	0.9
96.96944	0.7
98.21967	0.7
113.02418	0.7
115.04013	44.2
124.51515	0.6
133.01555	0.6
150.04225	1.9
159.02992	100.0
160.03265	1.4
191.05574	4.1
192.05948	1.4
196.98514	1.6
214.98798	1.0
238.98953	1.0
282.08377	1.5
309.03403	0.9
324.18240	1.1
332.91400	0.7
338.97897	1.2
363.00568	2.2
394.96970	3.7
457.75571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.7
61.74177	0.6
61.98829	100.0
62.70854	0.5
63.60556	0.5
66.18640	0.6
66.98660	0.6
68.52864	0.5
69.29150	1.4
69.29573	1.9
71.01375	1.1
73.02964	1.5
76.34660	0.6
93.03360	0.6
98.38608	0.5
101.02462	1.1
103.89670	0.6
115.37861	0.6
191.05708	0.6
196.91252	0.6
288.22614	0.6
319.53482	0.6
326.67508	0.6
388.66754	0.6
492.29193	1.5
493.29834	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	493.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49725	0.3
59.01384	0.7
61.55889	0.4
61.98827	100.0
77.53653	0.3
91.57299	0.3
170.91370	0.4
220.28171	0.3
240.66212	0.4
279.06708	0.4
312.10645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
61.98828	100.0
63.17004	0.4
67.78062	0.3
68.90274	0.4
70.64159	0.7
70.69276	0.3
71.01379	0.4
73.02932	0.8
74.96375	0.4
89.02445	0.5
101.02445	0.6
104.19060	0.4
109.43016	0.3
113.02474	0.5
131.86365	0.3
148.81537	0.3
178.43527	0.3
182.85776	0.4
385.54654	0.4
433.18597	0.7
460.95862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03452	1.3
59.01377	100.0
60.99294	0.6
61.98833	1.4
62.17239	0.5
71.01382	13.4
73.02944	4.2
75.00889	1.0
83.01398	1.7
85.02947	4.7
88.73701	0.5
88.98796	1.0
89.02442	8.5
95.01389	1.0
99.00895	1.3
101.02441	8.7
110.10259	0.6
110.65858	0.6
113.02451	6.9
119.03504	4.0
120.99650	1.2
121.02987	0.8
131.03650	0.6
135.04543	1.1
139.04027	1.0
143.03513	1.4
149.04549	0.9
161.04550	3.6
163.99770	0.6
179.05696	1.7
191.05545	0.8
203.05670	1.3
271.09723	0.8
371.20999	2.0
379.15744	1.1
379.19952	0.9
413.21979	2.6
433.24631	1.8
493.23245	1.5
493.30289	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	493.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72450	1.1
53.93515	1.2
54.56918	1.3
55.01910	1.3
59.01379	100.0
60.34436	1.1
61.98811	5.3
63.34800	1.2
69.03433	1.4
69.09409	8.0
71.01382	19.5
73.02560	1.8
73.02946	35.3
83.01384	9.3
85.02939	4.8
89.02452	6.5
95.01366	1.5
95.99337	1.3
101.02446	35.9
113.02443	12.8
119.03502	2.7
127.27184	1.1
130.08713	1.4
131.03450	3.6
132.11821	1.1
133.21935	1.1
143.03513	2.7
146.06091	1.5
149.04535	7.1
161.04584	12.1
179.37755	1.4
191.05611	3.7
208.22351	1.3
221.06750	2.2
331.04593	3.7
383.66638	1.4
433.28003	3.3
445.88953	1.2
459.59866	1.2
492.29144	1.9
493.29382	2.9
507.58633	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	493.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33105	1.5
57.03445	1.2
59.01376	100.0
61.98824	8.5
69.03439	2.5
69.45167	4.7
71.01375	21.2
73.02940	42.1
79.01872	1.2
83.01393	10.7
85.02956	3.5
86.92632	1.4
89.02444	9.2
97.02946	2.0
99.00868	2.0
101.02437	32.0
108.76238	1.3
113.02448	10.6
119.03450	3.7
125.02460	2.0
131.03462	3.1
143.03520	2.7
149.04547	6.9
161.04552	11.7
191.05577	4.4
221.06665	2.4
272.72314	1.4
331.04709	2.5
354.37753	1.6
418.10776	1.3
433.21304	2.5
433.28006	5.0
451.29190	1.9
492.28943	2.2
493.09509	1.6
493.29242	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	493.2076
Annotation	Amritoside D
Peak:m/z	Relative Intensity
55.01862	2.7
57.03449	1.9
59.01376	49.8
61.98805	2.1
69.61902	2.3
70.32980	0.7
71.01378	31.5
72.99310	1.3
73.02943	6.8
83.01386	4.2
85.02950	11.2
87.00876	1.5
89.01930	1.1
89.02438	15.6
90.95946	0.7
91.67250	0.7
95.01366	2.8
98.21939	0.8
99.00887	2.8
101.01781	1.4
101.02436	23.7
113.02441	12.1
119.03498	5.9
131.03462	1.0
137.09674	0.8
143.03468	1.1
155.15405	0.7
157.06221	0.6
159.03006	1.1
161.04550	6.6
179.05630	1.0
181.08698	1.3
189.29781	0.7
191.05652	1.1
204.25163	0.9
207.71382	0.8
239.14352	1.1
241.15959	2.8
269.15363	4.8
313.14410	15.1
338.15036	0.9
404.73560	0.8
405.22928	1.7
417.95038	0.8
449.21857	11.5
493.20734	100.0
494.20755	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	493.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03441	1.6
58.00577	0.4
58.42343	0.4
59.01379	100.0
60.44843	0.5
61.98827	4.8
69.03474	1.3
69.50340	1.9
71.01382	24.6
71.05041	0.5
72.99333	0.7
73.02945	56.4
74.03275	0.7
75.00870	0.9
81.03453	0.9
83.01389	14.5
83.01889	0.8
83.05058	0.4
85.02946	6.2
86.00117	1.3
86.07443	0.5
87.00871	4.1
89.02448	8.6
89.50716	0.4
91.05539	2.7
95.01422	1.3
95.05033	0.9
96.04578	0.9
97.02962	0.7
99.00888	1.4
99.04542	1.3
101.02444	40.8
106.19770	0.4
109.03006	0.8
111.04539	0.5
113.02447	13.5
113.06115	1.6
115.03989	0.7
117.07133	0.5
119.03516	3.1
119.04987	0.9
121.02982	0.5
121.06562	0.4
122.03738	0.5
123.04516	2.1
124.01692	0.5
125.02483	1.8
125.06081	0.5
127.04055	0.4
129.29153	0.5
131.03485	2.8
135.04532	0.5
136.05270	0.6
137.06079	2.8
139.07700	1.0
142.05019	0.4
143.03506	3.3
145.05074	3.4
149.04564	4.2
149.05759	0.4
149.06161	0.4
151.04021	0.5
152.04817	1.0
155.03517	1.4
159.08192	0.6
161.02480	0.6
161.04561	9.7
165.05559	2.1
166.06358	3.3
167.07118	1.3
171.08188	1.1
187.07619	0.5
191.05664	1.3
199.11278	0.9
203.05612	1.2
209.13348	3.7
211.11253	1.1
213.09210	4.0
215.10794	3.8
217.07224	1.6
217.12434	1.0
221.06700	1.1
225.12802	0.6
227.10768	2.8
229.12370	1.1
235.08231	3.1
235.10579	0.4
238.10028	2.0
243.13895	1.5
253.12294	4.5
256.11191	0.7
271.13397	15.6
271.16272	0.9
272.13937	0.6
277.09308	1.8
289.14435	1.5
293.19855	0.5
313.24063	1.0
331.24832	2.5
362.19720	0.7
406.19205	0.8
451.19995	1.2
493.22321	1.3
493.30121	9.0
494.20596	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	493.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95508	1.7
59.01377	22.7
61.98827	92.0
69.23573	5.1
69.23969	3.4
71.01370	7.1
73.02931	7.0
83.01340	1.8
83.05013	1.8
85.02944	2.8
87.00870	2.6
89.02448	3.0
91.05473	2.2
98.21941	3.3
101.02425	6.6
111.00917	1.5
113.02438	4.8
114.06198	1.5
125.06121	3.0
137.02498	2.0
137.06035	4.3
150.06854	10.5
161.04555	3.0
165.05646	3.6
166.06340	2.0
169.55128	1.7
182.50351	1.6
187.11363	1.8
211.11255	2.6
215.10658	3.8
217.12398	1.7
227.10663	2.5
228.23622	1.7
229.12276	3.3
237.12662	2.0
239.10741	2.2
245.11748	1.8
253.12254	3.7
271.13379	100.0
272.13638	3.2
287.12961	1.8
289.14456	21.9
416.20676	1.8
433.18372	4.4
451.19537	9.3
482.16016	1.6
493.21188	2.6
511.64847	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	493.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99496	0.8
55.01873	0.8
59.01379	100.0
60.51217	0.8
61.98829	38.7
62.65716	0.8
68.06647	0.9
71.01380	22.4
71.42055	1.1
73.02945	21.1
83.01394	3.7
85.02937	5.8
86.32549	0.7
87.00914	2.3
89.02437	19.8
90.98598	2.6
91.05544	1.6
93.03482	0.9
95.01386	2.0
97.02953	1.0
99.04546	0.9
101.02446	23.0
101.03095	1.2
109.02957	1.3
113.02462	12.1
119.03494	7.6
123.04565	2.0
125.02474	1.1
127.04038	1.1
131.03487	1.7
135.04468	0.9
136.05327	3.7
137.06104	1.3
143.03543	3.1
149.04576	2.4
149.06123	1.9
151.07608	0.8
161.04610	4.7
162.06866	5.8
164.04874	2.5
165.05534	1.6
179.05646	2.8
191.05751	2.2
208.07433	1.6
213.09236	1.2
215.10762	1.4
221.06544	0.7
241.12389	0.9
245.59259	0.9
253.12340	40.0
254.12564	0.9
269.11713	0.9
271.13403	12.9
283.13727	0.9
287.13025	1.4
289.14795	1.9
295.13324	3.5
298.12155	1.6
307.13434	1.3
313.14578	7.2
315.12311	5.0
316.13025	0.8
325.14496	4.1
330.14774	5.3
331.15625	2.9
343.15466	2.0
355.15594	1.0
393.17389	0.9
418.16190	3.8
433.19708	1.4
451.19653	3.9
493.21451	0.8
493.30090	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	493.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86252	0.7
54.68889	0.6
55.01881	1.4
57.02388	0.7
57.03450	1.2
58.00657	0.6
59.01379	100.0
61.98830	9.5
62.81665	0.7
69.12296	4.1
71.01382	22.7
71.05032	1.0
72.99284	0.6
73.02946	46.2
75.00874	1.1
83.01382	11.6
83.05038	1.4
85.02948	7.2
86.62208	0.6
87.00882	2.9
87.04508	3.4
89.02448	10.5
91.05537	3.0
93.03449	0.8
95.01395	2.2
95.05038	1.0
97.02962	1.0
97.06581	0.8
99.00874	0.9
99.04533	2.7
101.02442	32.1
104.42184	0.7
109.02934	1.1
111.00844	0.9
111.04539	1.3
113.02443	12.1
113.06113	1.2
119.03459	3.5
122.03731	0.8
123.04546	4.7
125.02473	2.1
125.06097	2.1
127.03956	0.7
131.03534	1.8
135.04512	1.2
136.05302	1.6
137.02452	2.0
137.06104	3.8
139.04045	2.5
139.07668	1.5
143.03528	2.9
149.04558	2.4
149.06023	0.9
155.03503	1.2
157.08702	0.9
161.04573	8.3
162.06854	1.5
165.05594	4.6
166.06342	1.8
167.07150	1.7
168.69101	0.5
179.05609	1.6
182.74477	0.7
187.07755	0.9
189.09274	1.6
191.05676	1.8
201.04167	1.5
203.05685	1.6
211.11275	4.3
213.09311	0.8
215.10770	5.3
217.12408	2.0
221.06689	1.2
227.10863	2.6
229.12257	5.2
241.12521	1.1
245.11823	1.5
253.12347	11.4
255.10385	1.1
255.13857	0.7
256.11087	2.6
257.02817	1.3
271.13388	24.8
272.13788	0.9
287.07336	0.9
289.14456	24.4
289.88531	0.7
290.15073	1.2
295.13290	1.6
313.14536	1.5
325.14578	0.8
368.78336	0.6
370.12772	0.9
401.21835	1.4
433.18747	2.8
451.19778	12.4
452.20462	0.9
493.21030	9.4
493.29086	1.7
494.20956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
55.01879	1.1
57.03443	1.3
57.70244	0.4
58.00583	1.3
59.01379	100.0
60.01709	1.3
61.98833	1.6
71.01382	47.7
72.99303	1.6
73.02950	1.9
73.96101	0.3
76.49231	0.4
81.52647	0.4
83.01385	2.4
84.98869	0.3
85.02947	8.4
87.00883	1.8
89.02447	50.7
90.02870	0.3
94.33039	0.4
95.01383	2.8
99.00878	0.7
101.02448	27.4
113.02454	17.2
113.03250	0.9
114.86391	0.4
119.03507	25.3
125.02454	0.6
131.03517	2.0
138.99078	0.4
142.55157	0.4
143.03499	4.1
149.04509	1.9
161.04558	3.4
179.05617	10.2
254.12650	0.4
313.16452	0.6
316.63263	0.4
331.17557	1.0
493.22891	35.4
494.23300	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01378	100.0
60.01705	0.8
61.98826	8.7
69.03441	0.8
69.08376	1.0
69.08775	3.5
71.01379	33.6
71.05025	2.1
72.99314	1.1
73.02943	3.8
75.00906	0.7
78.91891	1.1
83.01411	2.9
85.02948	8.8
87.00887	2.0
87.04578	0.6
88.98821	0.8
89.02442	23.2
95.01398	1.3
97.02962	0.9
99.00911	1.7
101.02441	19.5
101.03098	1.1
101.06124	0.6
113.02442	11.5
113.03149	0.9
113.06113	0.6
116.92926	0.8
119.03503	10.4
125.02435	0.8
131.03551	1.2
135.04541	2.1
139.04018	4.2
143.03532	2.2
146.08234	14.0
149.04567	1.1
158.53801	0.6
159.03023	1.7
161.04562	7.8
161.05655	0.7
179.03552	0.6
179.04170	0.7
179.05635	5.7
185.39537	0.7
199.09697	0.7
201.04079	1.4
209.08252	0.7
271.19156	1.4
331.17694	1.3
379.16034	8.9
379.19897	0.8
380.15585	28.9
427.71268	0.7
433.24393	64.4
434.24878	3.0
493.23157	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	493.366
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83994	100.0
69.84312	47.2
73.52303	45.3
83.18227	41.9
98.21996	69.7
114.75314	50.6
133.24124	41.4
150.83289	43.9
152.38916	39.3
230.69231	43.2
251.70316	39.4
364.60104	43.2
458.71442	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19630	0.2
53.22311	0.3
59.01379	3.2
61.98830	1.3
67.72517	0.2
69.03454	3.2
69.83307	0.2
69.83652	0.8
71.01373	1.2
71.05038	0.3
73.02946	0.4
85.02951	0.9
87.04514	0.7
89.02448	0.4
96.95961	0.3
97.02947	15.8
101.02428	0.7
113.02438	3.7
115.04012	9.0
118.98105	0.3
119.08026	0.2
131.03786	1.7
141.01935	8.6
144.04555	5.9
146.06113	100.0
147.06438	1.9
159.02940	0.3
161.04558	1.1
188.07132	1.0
190.05087	15.5
191.05498	1.2
221.14995	0.2
290.10056	0.4
303.07117	0.4
308.11313	1.0
334.09305	2.6
338.92960	0.3
352.10345	10.9
353.10461	0.5
380.16052	0.4
418.85626	0.3
450.14175	1.2
494.12979	28.8
495.13272	1.6
495.24863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
60.47821	0.3
61.98830	100.0
62.61633	0.3
64.24135	0.3
69.14772	0.8
69.15167	1.3
69.81723	0.3
71.01378	0.8
73.02976	0.3
81.13527	0.3
85.02945	0.3
89.02466	0.4
98.22616	0.8
101.02438	0.6
101.56016	0.3
113.02471	0.6
121.02965	0.9
123.78614	0.3
150.19371	0.4
151.43709	0.3
161.02469	0.6
163.16496	0.3
201.09193	0.8
233.74571	0.4
272.10486	0.6
273.11469	1.7
357.13297	0.3
381.15527	0.3
433.27893	0.3
434.28848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
61.54284	0.2
61.98829	100.0
67.39330	0.2
71.01390	0.6
73.02938	0.3
73.62334	0.2
83.05000	0.2
85.02985	0.5
87.00875	0.4
101.02448	0.3
113.02437	0.5
121.02976	0.5
129.24603	0.2
153.09265	0.2
272.10367	0.4
273.11298	0.4
289.14615	0.3
290.14694	0.4
332.13385	0.6
357.13715	0.3
364.89215	0.2
434.28809	0.3
445.53897	0.3
463.38898	0.3
510.06863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.6
60.01718	0.4
61.98829	1.8
71.01379	23.5
71.03552	0.3
71.05016	5.1
73.02946	0.8
74.86407	0.4
75.30114	0.4
75.34641	0.3
76.52934	0.3
83.01402	0.6
83.05627	0.4
85.02949	1.9
85.62850	0.4
88.04050	2.8
89.02436	5.8
90.02769	0.4
99.04501	1.1
101.02447	5.3
101.96988	0.3
107.79208	0.4
113.02447	3.2
116.03533	0.7
116.07205	0.8
118.25404	0.3
119.03506	2.0
128.07195	1.3
131.03363	0.4
143.03537	0.5
146.08226	40.5
154.57736	0.4
161.04549	1.4
179.05602	0.3
187.96362	0.4
200.09267	0.8
204.38411	0.4
216.94481	0.4
218.10402	0.6
222.85086	0.4
263.11349	0.7
308.13431	3.4
342.60901	0.4
362.14774	0.8
380.15591	100.0
381.15863	3.7
407.72452	0.4
434.24921	0.8
466.95328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
68.48509	0.4
69.81766	1.7
69.82104	0.6
81.39755	0.5
86.79967	0.5
153.13187	0.5
186.56657	0.5
235.39136	0.5
285.94278	0.5
420.16470	4.0
434.18341	0.8
458.85681	0.6
514.47266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02955	3.4
59.01381	9.5
61.98824	27.3
69.03423	1.7
69.30760	2.2
69.31172	4.9
69.81503	1.2
71.01362	4.2
73.02926	1.9
73.04082	1.6
74.02459	4.5
84.00888	1.5
84.04529	1.7
85.02935	3.6
87.00868	3.9
87.05637	16.0
89.02448	2.3
96.95999	1.8
97.02989	1.4
98.21941	1.9
101.02441	2.6
109.26972	1.2
110.02472	3.8
112.04031	1.9
113.02433	1.6
113.03571	2.6
116.03476	1.2
116.92829	2.2
121.67400	1.4
123.04528	1.7
125.03494	3.9
126.01983	1.8
127.05091	2.8
129.06699	47.3
130.05067	2.5
130.08727	19.3
140.08295	1.9
143.11888	14.1
144.07750	2.5
153.05556	2.1
158.09293	2.8
159.40088	1.3
169.06293	2.5
169.09836	5.2
175.02367	1.4
182.09303	2.2
183.11311	1.4
184.07260	2.7
185.05659	2.0
186.08719	1.6
187.10883	11.3
187.39511	1.3
191.05542	2.0
200.13982	9.3
214.15573	4.2
226.08286	1.6
256.09430	8.6
256.12766	1.3
271.17728	9.1
280.97073	1.3
315.16599	1.6
334.54596	1.2
357.17749	30.6
369.17789	2.7
387.18823	40.5
401.20367	3.9
406.22263	1.7
413.20593	1.4
431.21432	100.0
432.21490	5.6
477.36761	1.4
494.13684	1.5
494.23999	2.5
495.24475	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	494.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01705	0.7
61.98825	6.0
68.87652	0.3
69.75069	1.0
71.01388	0.7
73.02984	0.4
76.08862	0.3
87.00849	0.4
89.02448	0.6
101.02450	0.9
113.02457	0.8
114.05561	0.6
123.38702	0.4
146.06151	1.1
153.01855	0.5
154.41978	0.4
193.46307	0.4
200.09479	0.8
267.83969	0.4
311.91412	0.4
380.15839	1.0
420.20255	1.9
434.22003	1.2
459.18802	0.4
494.23303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94093	0.4
55.00499	0.4
59.01349	1.2
59.39544	0.4
68.69798	0.4
69.52625	1.2
73.63203	0.5
74.54769	0.4
77.32005	0.4
81.03445	1.6
83.05017	6.9
98.22646	0.9
108.51135	0.4
125.07209	1.0
207.15047	0.5
224.17642	1.3
225.16078	5.3
242.18642	0.9
257.67712	0.5
333.23013	1.6
351.23984	0.7
367.26782	0.6
433.31793	4.2
451.32855	100.0
452.33218	5.6
478.83450	0.6
494.33414	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	495.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.1
60.99303	5.8
61.99508	0.4
68.37452	0.4
69.22290	2.7
71.01379	1.7
72.00900	2.9
74.02470	6.2
85.02922	0.8
87.00864	1.8
88.00382	0.7
88.98804	40.3
89.02441	27.1
91.88481	0.7
96.03941	0.4
100.93339	0.6
101.02410	0.6
113.02443	2.4
115.92142	0.7
116.05038	1.0
116.92833	1.1
132.04552	33.3
133.04817	0.6
144.04506	1.3
145.05258	2.0
146.06177	1.0
158.06111	16.7
175.08740	10.6
177.01872	0.9
191.05565	0.9
197.04561	0.5
202.05046	1.2
219.07732	100.0
220.08014	2.6
233.57007	0.5
300.26212	0.5
381.12997	42.6
382.13397	1.7
495.10800	0.7
495.24753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13016	3.4
59.75643	4.0
61.98824	10.5
66.91846	3.6
70.61063	5.0
92.55145	4.1
93.03462	28.1
102.34785	4.2
108.57991	3.9
122.03735	5.8
136.01628	6.1
137.02441	100.0
149.02388	9.8
150.03230	64.5
151.03995	6.5
160.84216	41.0
162.83873	13.2
165.05542	64.3
195.06651	30.0
294.87234	4.4
323.57785	4.0
366.51828	4.3
406.33304	4.7
447.14459	10.9
495.00537	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08310	1.1
54.43348	1.1
59.01375	9.6
61.98830	2.8
71.01388	7.7
73.02950	1.2
75.00871	1.8
85.02943	4.2
87.00874	1.4
87.75592	1.1
89.02437	2.7
95.01428	1.2
101.02436	5.9
102.98589	3.9
108.02168	24.8
109.02962	2.1
111.00915	1.6
111.04581	1.9
113.02437	3.5
116.06253	1.2
119.03589	1.5
120.99668	1.4
121.02954	23.6
122.03748	2.5
123.04522	1.6
136.05316	6.8
137.06059	2.1
143.03522	1.1
149.05974	1.2
151.07635	10.9
152.01128	1.8
155.03448	2.0
161.04515	1.5
163.07790	1.2
167.03465	5.5
173.06117	1.2
179.07143	2.2
191.05574	4.6
258.08957	2.8
273.11313	100.0
274.11697	4.0
307.77347	1.4
435.16843	5.5
495.20169	3.3
495.32101	5.5
516.02045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.6
61.98831	0.4
69.14946	1.9
70.87688	0.4
71.01388	1.1
72.95742	0.4
73.02937	0.8
78.23737	0.4
85.02951	0.6
87.04506	1.0
101.02481	0.6
107.05027	100.0
108.05392	1.2
118.84928	0.4
121.02924	0.7
139.03984	0.9
191.05656	0.5
219.90823	0.4
225.05585	1.1
239.07141	0.7
240.07730	0.5
255.10252	6.2
273.11304	67.5
274.11618	2.7
327.22006	0.5
334.80191	0.4
495.23056	0.4
495.32605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98831	9.3
61.99134	1.3
71.01379	4.3
73.02948	6.9
74.04640	1.0
75.00864	1.1
83.01384	1.7
83.05011	2.4
85.02963	1.1
89.02454	1.7
91.05551	5.1
101.02439	6.9
113.02434	2.1
114.61394	0.9
119.03475	1.8
137.02449	1.5
143.03516	1.3
145.21487	1.1
149.04507	1.7
161.04572	2.8
179.05658	1.4
187.11250	5.8
213.09192	3.8
225.09351	1.7
230.27298	1.0
231.08127	1.6
231.10283	19.4
231.12489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10407	0.6
57.66878	0.6
57.87767	0.7
58.15722	0.6
59.01377	15.4
59.08548	0.6
60.01724	1.2
60.44502	0.6
61.98827	100.0
71.01372	3.6
71.36990	0.6
73.02961	0.7
75.00859	2.3
82.43556	0.6
83.05018	0.8
89.02456	2.7
96.96036	2.4
101.02446	2.1
111.04507	1.9
113.02460	1.9
119.03532	0.9
121.06602	1.0
123.08182	2.2
137.02452	0.8
146.08313	1.0
149.06129	1.8
151.04012	3.3
165.05545	12.8
167.07126	18.8
179.05745	0.9
191.05650	1.7
268.66885	0.7
271.43100	0.7
273.11307	18.1
273.14218	1.0
380.15741	0.9
381.16113	2.6
388.21451	1.4
400.17734	1.5
435.16843	1.6
441.57910	0.7
495.24200	5.1
496.25369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51795	1.5
59.01369	5.2
61.98827	100.0
71.01379	2.5
87.00865	2.1
89.02453	3.1
105.73769	1.7
161.48633	1.5
173.25807	1.8
191.05571	5.1
213.51605	1.6
217.00513	1.6
282.48578	2.2
294.83478	2.0
380.74765	1.8
391.59033	1.6
392.28226	1.8
397.66455	1.8
438.89853	1.9
495.21237	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	495.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82890	0.4
59.01376	12.6
60.01701	1.2
61.01799	1.2
61.98829	100.0
68.99577	0.6
71.01376	2.6
71.42262	0.5
71.64149	0.5
72.44881	0.5
72.99311	0.5
73.02971	1.0
75.00873	4.0
82.54215	0.4
82.95450	0.5
83.01389	0.7
85.02973	1.4
87.00876	0.5
89.02480	1.2
92.17342	0.4
93.03476	0.6
93.57297	0.4
101.02445	1.4
106.74303	0.4
111.04433	0.6
113.02468	0.8
115.01714	0.4
120.99690	1.7
122.99243	1.4
123.04533	1.3
135.04559	0.7
143.43845	0.5
151.04054	1.1
159.06740	0.6
191.05685	1.0
253.04579	0.5
273.11353	1.4
305.04385	0.7
333.13324	0.8
435.26260	0.6
494.83194	0.5
495.18436	0.9
495.24500	1.8
495.29568	0.6
496.31238	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	495.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.8
60.01711	1.3
60.99305	14.2
62.23131	0.6
71.01378	3.9
72.99306	0.6
73.02956	0.7
85.02943	2.0
87.00880	9.2
88.00390	1.8
88.04052	1.1
88.98804	100.0
89.02441	82.5
93.03472	0.9
93.94048	0.6
101.02451	2.6
105.16189	0.7
111.04490	0.8
113.02463	4.2
116.92872	1.1
119.03490	0.8
129.01904	0.6
132.04535	2.3
135.04529	1.5
137.03543	1.0
145.05040	1.1
148.91000	1.1
158.06123	1.1
161.04559	1.0
173.04471	0.8
177.01926	3.4
189.01715	0.9
191.05602	2.5
197.04582	0.8
204.35147	0.7
206.65587	0.6
219.02768	1.2
219.07701	8.1
219.12308	1.3
238.57007	0.7
381.08664	0.8
381.13083	2.8
381.17624	3.8
495.10629	1.4
495.24963	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	495.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26015	0.4
59.51546	0.3
61.98839	0.4
65.41724	0.4
70.10223	1.1
78.95911	0.5
85.76923	0.4
125.21278	0.4
149.06088	1.7
150.06889	0.4
152.99614	1.4
160.05284	0.6
161.06068	2.2
162.06879	4.2
176.04829	0.8
188.04756	1.2
189.05566	19.7
190.06355	21.3
191.03511	0.6
192.04152	0.5
194.05824	6.9
199.07552	0.4
201.09169	0.7
202.06335	1.5
203.07195	0.5
204.04369	0.9
217.05022	0.4
217.08705	1.4
218.05798	0.5
222.05338	1.3
225.08997	0.5
239.10771	1.1
240.11516	1.0
241.12297	5.9
243.10405	0.7
245.08180	9.5
251.10767	2.4
253.12238	2.2
254.09537	1.6
267.10190	0.5
269.11801	4.5
270.08994	1.7
271.09833	0.5
280.11008	2.2
281.11829	51.1
282.12146	1.4
293.11719	2.8
295.09796	3.0
313.10754	1.4
325.10684	0.4
326.62408	0.4
335.12869	1.7
336.13629	4.7
345.14911	1.6
359.16418	0.5
360.17279	1.4
361.14450	1.2
386.15302	0.4
404.16226	1.7
433.21622	1.0
436.15247	0.5
451.22757	13.8
452.23398	0.6
491.63089	0.5
495.21747	100.0
496.22046	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	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76289	0.4
57.03447	2.6
59.01377	100.0
61.98842	2.7
63.65801	0.5
69.39407	1.8
71.01389	2.7
73.02952	1.5
77.90048	0.5
83.05005	0.5
83.26262	0.5
85.02964	1.6
87.04533	1.8
87.60359	0.5
89.02441	1.0
93.03497	0.7
94.77859	0.4
96.96033	1.1
101.02461	1.7
103.04010	57.7
106.04218	0.5
107.05063	1.5
113.02469	1.6
119.03522	0.5
121.02979	1.8
123.04517	3.1
124.04855	1.0
126.28164	0.5
133.02994	0.5
135.04498	0.6
136.05304	2.8
139.04010	4.7
141.01752	0.5
145.05159	0.5
153.50142	0.5
161.04558	0.8
161.09712	0.7
165.09247	2.2
179.05736	0.6
185.49327	0.5
187.11412	0.6
191.05595	1.2
205.08685	2.5
223.13321	1.1
267.12439	1.2
273.11206	2.4
275.22311	0.5
279.02072	0.5
289.10754	0.5
290.11325	1.2
291.11441	0.7
349.18747	0.7
435.22565	1.1
495.17874	0.7
495.24426	1.4
495.33310	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	495.254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30227	1.8
59.63714	2.2
61.98835	2.7
70.20107	4.5
72.96559	1.9
78.95883	11.6
90.18761	2.1
94.55848	2.2
98.21967	2.3
117.33165	2.1
121.06596	3.9
135.08118	4.3
140.05745	2.2
148.05302	5.0
149.06070	55.1
149.07217	3.5
152.99593	27.8
162.06897	7.0
163.07648	21.5
189.05528	2.8
203.07079	4.2
225.09128	3.2
239.10783	33.8
240.11555	100.0
241.09081	2.5
241.12224	13.0
253.12299	46.3
254.13089	56.7
255.13869	8.4
267.23233	7.2
294.12784	2.9
295.13425	19.9
348.08032	2.0
415.82922	2.2
433.23758	7.8
495.25864	43.4
495.32986	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	495.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76151	0.6
69.44135	2.6
70.54020	0.5
77.51044	0.5
98.17702	0.6
121.06591	5.1
134.03726	2.1
135.04544	1.2
136.05312	0.6
148.05269	2.0
149.06079	60.4
150.06587	1.3
152.99588	0.6
159.29640	0.6
162.06868	1.0
163.07625	1.8
175.07675	1.8
176.08417	2.0
188.04785	0.8
189.05576	8.3
195.30647	0.7
203.07127	19.9
204.07858	3.8
225.09187	3.9
239.10783	10.8
240.11551	69.2
241.12241	9.4
242.12469	0.6
253.12318	8.5
254.13087	6.9
255.13857	1.8
267.13977	1.0
269.08182	0.8
280.11011	3.9
281.11838	0.6
283.09775	0.8
294.12607	5.6
295.13364	30.5
296.13773	1.2
375.16046	1.2
376.16260	2.8
395.23758	0.8
495.25412	100.0
496.25708	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	495.2597
Annotation	Virescenoside M
Peak:m/z	Relative Intensity
53.90920	0.5
57.03445	0.9
59.01379	7.2
61.98802	2.6
66.74446	0.5
69.31673	1.3
69.32076	1.6
71.01371	6.3
73.02937	2.9
82.00711	0.6
83.01369	2.2
85.02962	3.5
87.00863	0.6
98.22636	1.1
101.02440	5.0
109.88490	0.5
110.41595	0.5
113.02483	2.4
137.02441	0.6
144.07774	1.2
186.08777	1.1
191.05617	0.9
259.99371	0.5
265.24255	0.5
274.06885	0.5
299.00430	0.5
313.06244	0.5
333.20660	1.8
427.25604	1.7
457.26813	1.6
495.25974	100.0
496.26398	6.6
505.65048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55756	0.3
57.32961	0.3
59.01376	2.0
61.20766	0.4
61.98826	100.0
69.29075	1.5
71.01378	0.6
82.95422	0.4
85.02966	0.4
89.02459	0.8
98.22765	0.4
101.02457	0.5
112.04064	0.5
113.02438	0.7
113.45091	0.3
119.03544	0.5
120.01244	6.5
123.26388	0.3
130.08731	0.3
134.59924	0.4
147.08212	0.3
148.01852	0.4
149.77045	0.3
151.00404	0.8
159.08173	0.4
169.08954	0.4
178.99905	0.3
179.05537	0.5
191.05687	0.6
221.08144	1.9
243.03011	1.1
244.03661	0.3
254.02205	0.6
255.02937	4.6
255.13974	1.1
271.02429	8.4
271.05322	0.5
272.03101	0.9
300.02722	21.2
301.03421	3.8
301.09628	0.5
331.15704	0.5
352.38278	0.4
364.16739	0.3
365.14346	0.4
375.14603	1.4
433.07681	21.8
434.08011	0.9
496.31110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98828	100.0
63.08543	0.1
67.69596	0.2
67.74667	0.1
73.02938	0.2
76.92625	0.1
88.04026	0.1
88.49051	0.2
93.03490	0.2
112.04059	0.2
113.02433	0.3
120.01260	0.4
170.11870	0.2
191.05635	0.5
191.44003	0.1
226.69756	0.2
271.06128	0.3
495.32321	0.2
496.31683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
81.29561	0.3
87.00893	0.8
96.96028	0.6
108.84846	0.3
154.06223	1.6
194.45773	0.4
227.43613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03891	0.6
59.01401	0.8
61.98829	100.0
69.23672	3.1
70.51856	0.8
78.95919	2.0
81.53242	0.7
81.95134	0.6
84.74471	0.8
84.86628	0.7
120.68716	0.7
143.62346	0.8
152.99628	1.8
161.02446	1.4
215.76514	0.8
281.95837	0.8
378.75394	0.8
497.25885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39241	4.6
56.87964	4.8
61.98822	10.5
63.23882	4.9
70.06135	10.4
72.53339	4.9
98.21942	5.6
100.28341	5.1
106.59559	5.3
112.00648	4.5
123.04501	17.4
150.03232	6.4
151.04001	45.6
152.04764	7.5
177.30659	5.0
219.42293	4.7
226.09933	7.4
227.10770	7.0
241.08775	11.3
242.09494	40.6
243.10126	16.2
319.05487	5.0
378.58841	5.5
379.85242	4.8
453.14819	7.9
453.20700	100.0
496.22281	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	496.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51320	1.2
61.98826	4.6
71.44643	1.5
76.08578	1.3
78.91869	1.4
78.95901	47.4
96.96952	7.1
113.71274	1.3
150.62717	1.3
150.98016	1.5
152.99582	100.0
161.13977	1.4
171.00629	4.2
277.10635	1.4
279.23099	1.5
279.26868	1.7
295.26373	1.9
363.25153	16.3
379.22485	3.3
415.30576	2.0
433.23547	30.1
446.85699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.8
55.67466	1.0
55.68244	1.0
56.21152	1.2
56.67373	1.0
59.01378	63.4
59.43945	0.9
59.59516	1.0
61.98826	31.5
63.31269	1.0
67.01888	1.2
71.01383	6.1
73.02946	5.3
74.46732	1.0
75.00851	5.7
83.01415	1.0
83.05045	1.6
85.02936	2.5
86.97467	1.0
87.00849	1.2
87.46975	1.2
88.04037	1.3
88.98788	1.4
89.02407	2.0
93.03443	1.3
95.05029	1.3
97.02948	2.3
98.03748	7.1
99.00879	4.0
101.02466	3.7
107.05026	1.3
111.00879	3.8
111.04546	1.9
113.02431	1.7
115.04058	1.2
121.02929	1.5
122.03712	3.0
123.04511	3.2
123.08061	1.2
127.00372	39.3
142.02698	2.9
147.67946	1.0
148.05238	1.3
153.10855	1.0
165.05548	2.4
166.02718	1.7
167.07019	2.4
168.07460	2.6
175.07587	1.5
187.07541	1.3
189.09259	1.3
191.05573	1.5
242.15710	1.4
258.15186	1.1
270.14914	1.5
273.11319	1.5
274.11502	4.0
328.19101	4.8
331.93097	1.2
334.25970	1.4
356.18631	22.5
356.23044	1.3
357.18558	1.3
358.45480	1.2
370.20041	1.3
378.19455	1.2
380.20691	3.2
386.19626	1.5
388.21234	62.7
389.21616	1.8
400.17596	100.0
401.17981	5.6
406.21973	1.7
420.23889	2.4
432.20023	5.2
461.20285	1.3
464.22882	3.7
496.25360	41.4
496.31525	10.0
497.18649	1.8
497.25931	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	497.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13463	1.3
61.98829	100.0
69.31066	6.5
78.95919	1.6
103.73952	1.2
117.54882	1.4
126.77145	1.5
152.99551	2.7
431.89771	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	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66477	0.3
57.73222	0.4
59.01372	3.4
61.98827	3.2
64.22488	0.3
65.56484	0.4
71.01385	2.1
71.05039	0.4
73.02941	0.8
75.00857	0.7
82.95413	0.7
85.02944	1.2
87.04506	0.5
88.98847	0.5
89.02454	0.7
93.03465	1.8
95.01414	0.3
96.96037	0.4
101.02428	1.4
106.04243	2.7
107.05031	2.3
111.00822	0.4
113.02438	2.2
119.03502	0.4
119.05016	2.0
121.02956	0.5
128.31310	0.3
131.03514	0.8
133.03014	0.3
134.03688	0.3
135.04504	1.4
137.02434	1.4
139.04031	0.6
141.40950	0.4
143.05028	3.8
143.68121	0.3
144.05675	0.5
145.02940	0.4
147.08157	10.3
157.06610	0.4
159.08153	23.2
160.08450	0.5
161.04672	0.4
163.03990	1.0
173.04564	0.5
177.09149	2.2
179.03514	1.0
191.05589	2.0
191.07159	4.2
199.39635	0.3
203.07123	9.0
218.69112	0.3
219.06537	0.4
221.08179	100.0
222.08473	2.8
317.50897	0.3
335.07669	0.6
335.20718	0.6
347.13266	0.4
350.96152	0.3
381.84372	0.4
383.13376	0.5
399.97055	0.4
497.20041	0.4
497.25986	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	497.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29824	0.4
51.97174	0.4
54.52019	0.4
59.01384	2.3
59.17512	0.4
61.98825	4.9
69.03465	2.7
69.28979	2.4
71.01373	1.5
72.06256	0.4
73.02937	0.9
85.02923	1.0
88.98811	1.0
89.02441	0.7
93.03448	1.5
97.02885	0.4
101.02469	0.7
106.04236	0.9
107.05016	3.7
109.02918	0.6
111.04474	0.4
113.02452	12.1
119.05023	1.7
121.02966	0.6
134.03735	0.8
135.04509	1.3
137.02425	0.9
139.04036	4.2
148.18729	0.4
159.08151	1.8
163.03955	0.7
173.04582	0.7
175.07654	1.4
176.08452	1.2
177.05653	0.9
177.09209	31.0
178.09514	0.9
179.03485	0.6
191.05608	2.7
203.07132	10.5
209.11874	0.5
221.08182	100.0
222.08475	2.8
374.62097	0.4
383.13464	50.3
384.13748	2.3
497.20450	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	497.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74995	0.5
58.04260	0.4
59.01386	3.4
61.98840	3.7
69.03448	2.8
71.01368	1.4
73.02943	0.6
85.02950	1.3
88.98805	2.6
89.02449	0.8
93.03453	1.3
95.01365	0.5
96.02174	0.4
97.02969	0.6
101.02456	1.0
106.04240	1.2
107.05032	4.3
113.02448	11.6
119.04994	0.8
126.90394	0.4
134.03738	1.1
135.04558	1.0
135.08177	0.7
137.02412	1.6
139.03993	3.5
147.04558	0.5
159.08188	2.4
175.07597	1.5
176.08420	2.0
177.09204	34.1
178.09459	0.7
179.03474	0.7
191.05594	1.7
203.07141	8.9
213.33052	0.5
221.08179	100.0
222.08536	3.3
383.13458	53.5
384.13705	2.9
415.99136	0.5
441.34158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.1
61.98828	78.6
68.76177	0.9
69.40047	2.2
71.01379	9.4
73.02945	8.4
75.00877	3.1
82.95421	1.7
83.05027	1.0
85.02946	3.5
87.00886	1.7
88.88457	0.7
89.02430	3.0
93.03469	2.0
96.95983	1.3
97.02938	2.3
101.02449	5.4
108.02164	1.3
111.00941	0.8
111.04534	2.7
113.02449	3.7
116.92848	1.7
117.01939	1.1
121.02956	31.4
122.03745	15.8
123.04527	1.5
125.02456	1.4
128.03534	2.1
134.03743	2.7
135.04510	3.2
136.05302	7.2
137.06065	3.2
139.04033	1.3
141.05627	1.6
147.04530	1.3
149.06091	0.9
151.03995	1.1
153.05576	8.8
161.04573	5.2
168.04211	0.9
191.05618	2.4
217.08656	1.7
230.09416	5.6
232.07542	1.5
232.11052	31.5
234.09019	2.0
241.20230	0.8
245.11844	2.3
247.13387	5.1
248.10570	2.9
258.08960	33.1
273.08423	1.7
273.11322	27.4
274.11801	0.9
275.12640	1.0
276.10010	12.3
291.12381	100.0
292.12653	4.1
305.02942	0.8
307.03339	0.9
335.24319	2.0
435.16449	2.0
448.98648	0.8
450.68085	0.9
453.17587	6.2
454.64362	1.1
479.19141	0.9
497.17609	5.6
497.25027	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	497.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03442	1.7
59.01381	26.7
59.22141	0.7
61.98831	6.5
68.48219	0.8
69.03445	2.9
71.01379	38.3
72.99300	1.0
73.02943	16.1
75.00889	0.8
82.95407	0.7
83.01386	6.3
85.02949	20.9
87.00864	3.4
88.46577	0.7
89.02436	7.8
93.03455	2.6
95.01398	3.7
96.96000	7.7
97.02936	1.3
99.00876	4.6
100.90237	0.7
101.02440	35.6
107.04911	0.9
110.86855	0.7
110.94108	0.9
111.00857	0.9
113.02454	27.0
116.92848	2.0
119.03493	2.8
120.01395	0.7
125.02434	1.9
131.03436	0.9
135.04509	8.9
137.02419	1.6
143.03481	2.7
159.02989	3.1
161.02499	1.4
161.04559	22.1
173.04500	3.1
174.03230	1.6
175.07744	1.0
177.01912	1.6
178.91747	0.8
179.03473	6.0
179.05736	0.9
183.06593	1.4
185.79288	0.8
191.05603	8.4
203.07173	0.9
221.10291	22.8
249.07684	5.7
305.16071	2.5
335.07901	4.0
383.15573	100.0
384.15884	3.8
437.20291	3.3
444.02872	0.7
467.12521	0.9
497.12238	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	497.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03442	1.7
59.01381	26.7
59.22141	0.7
61.98831	6.5
68.48219	0.8
69.03445	2.9
71.01379	38.3
72.99300	1.0
73.02943	16.1
75.00889	0.8
82.95407	0.7
83.01386	6.3
85.02949	20.9
87.00864	3.4
88.46577	0.7
89.02436	7.8
93.03455	2.6
95.01398	3.7
96.96000	7.7
97.02936	1.3
99.00876	4.6
100.90237	0.7
101.02440	35.6
107.04911	0.9
110.86855	0.7
110.94108	0.9
111.00857	0.9
113.02454	27.0
116.92848	2.0
119.03493	2.8
120.01395	0.7
125.02434	1.9
131.03436	0.9
135.04509	8.9
137.02419	1.6
143.03481	2.7
159.02989	3.1
161.02499	1.4
161.04559	22.1
173.04500	3.1
174.03230	1.6
175.07744	1.0
177.01912	1.6
178.91747	0.8
179.03473	6.0
179.05736	0.9
183.06593	1.4
185.79288	0.8
191.05603	8.4
203.07173	0.9
221.10291	22.8
249.07684	5.7
305.16071	2.5
335.07901	4.0
383.15573	100.0
384.15884	3.8
437.20291	3.3
444.02872	0.7
467.12521	0.9
497.12238	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	497.1967
Annotation	Cochinchinenene C
Peak:m/z	Relative Intensity
61.98824	1.8
62.78298	1.5
63.10642	1.1
65.12594	1.3
70.44160	1.7
71.79665	1.1
72.16205	1.3
80.17973	1.1
93.03471	2.1
121.02952	100.0
147.04517	5.6
179.08118	1.1
197.06050	3.5
217.93806	1.1
225.05576	6.8
225.09142	1.7
227.10732	1.9
239.07101	7.6
239.10789	1.9
240.07846	6.9
246.45622	1.7
248.66748	1.2
257.11829	2.9
315.10211	2.3
320.10416	1.8
331.13400	7.2
344.10605	2.1
359.12830	1.4
361.10822	1.8
375.16040	17.3
464.16077	1.8
465.16833	2.6
482.17303	6.0
497.19684	49.1
498.19965	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	497.1968
Annotation	Cochinchinenene C
Peak:m/z	Relative Intensity
55.01917	1.2
69.38922	3.5
83.96075	0.7
99.52473	0.9
101.02530	0.7
106.08327	0.8
107.15102	0.6
122.03815	1.7
122.99577	0.8
136.05295	11.7
136.06201	1.1
139.04094	0.7
143.05116	1.1
148.05331	0.9
151.04106	1.8
152.04875	1.2
167.08766	0.8
181.10313	2.0
183.08195	2.1
199.07660	2.4
201.09225	1.2
203.51718	0.7
209.06038	4.0
211.07635	25.4
213.09219	1.4
222.08653	1.5
225.05626	8.8
225.09270	3.2
226.06337	11.6
227.07112	2.6
227.10765	51.2
228.04309	1.5
228.11125	2.0
237.09448	0.7
239.07137	38.8
239.10655	5.4
240.07677	2.6
241.08682	25.5
241.11183	1.0
242.09222	1.2
242.22186	1.5
243.06693	0.9
243.10214	1.0
251.10715	0.9
253.55222	0.8
254.05861	1.9
255.06635	2.6
255.10196	2.1
256.03702	0.7
257.11838	14.7
269.08185	100.0
270.08640	4.3
271.06131	8.8
289.12097	1.0
333.20508	0.9
362.11636	5.3
363.12027	0.9
392.12363	2.0
453.20804	0.9
459.15656	1.0
469.19730	1.5
497.19473	52.6
498.19714	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	497.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.2
91.07558	1.9
106.04238	5.9
107.05009	7.8
111.00876	7.6
112.50579	2.1
125.09734	3.0
135.04527	14.0
145.66092	2.0
154.81854	2.0
157.06667	2.4
173.06049	8.6
181.10284	2.1
187.09735	5.5
197.09689	3.2
201.05614	3.1
211.07634	2.2
213.05428	2.6
213.09258	4.0
225.05588	2.7
225.09198	8.4
226.06384	2.8
226.09944	10.1
227.07123	4.2
227.10785	14.7
227.38419	2.2
239.07120	2.3
240.07785	2.9
241.08696	10.1
243.10246	4.3
256.11111	2.7
257.11771	8.6
265.12311	5.0
272.10593	4.5
281.11685	2.5
287.12756	2.2
295.13342	7.4
309.20990	2.4
331.13214	3.3
332.14136	2.4
352.06976	2.3
409.21463	7.4
453.20700	100.0
454.21030	7.0
479.22324	6.1
497.19275	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	497.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
57.03446	73.2
59.01377	90.9
61.98823	9.4
69.03473	1.4
69.41730	2.1
69.42132	4.1
71.01383	42.0
72.23494	1.1
73.02946	28.3
75.00882	1.5
78.91904	1.8
79.05525	2.7
81.03448	2.2
83.01392	10.3
83.49019	1.2
85.02937	7.3
87.00889	2.2
89.02445	42.3
93.08838	1.5
95.01387	2.8
97.06612	2.4
99.04517	59.3
101.02439	54.4
113.02445	23.2
113.06107	3.4
119.03514	19.6
123.04533	13.7
125.02440	22.1
131.03470	5.9
131.48143	1.3
141.05568	5.4
143.03499	9.6
149.04558	6.5
153.05594	3.5
161.04552	100.0
162.04863	1.9
179.05615	49.3
183.36108	1.2
200.99147	1.4
203.05598	7.0
221.06526	2.3
221.08426	1.5
233.06641	10.0
263.07703	52.8
277.57584	1.1
279.10870	1.2
300.76529	1.1
323.09814	88.8
324.09955	1.8
329.21808	1.4
348.55307	1.2
461.98279	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	497.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14948	0.3
59.01378	0.8
61.98829	100.0
65.30785	0.3
69.68670	0.8
71.01398	0.7
79.64368	0.3
82.95422	0.4
89.02460	0.6
93.03466	0.9
112.04128	0.3
125.02483	1.0
135.04539	1.6
142.13416	0.3
161.02518	0.7
179.03551	1.0
191.05621	1.6
285.96881	0.4
335.07794	1.0
357.59668	0.3
415.71564	0.4
498.32544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98827	100.0
70.05377	0.5
71.01385	0.8
82.95409	1.5
91.88599	0.2
93.03477	0.5
97.02943	0.2
121.02950	3.0
132.04549	6.8
135.04573	0.2
137.02464	0.7
137.06082	0.4
143.04637	0.4
144.04584	0.5
145.05318	0.7
146.06113	6.2
147.06538	0.2
152.01135	0.2
158.06094	1.5
177.01889	0.3
177.04350	0.6
191.05672	0.6
193.05042	0.2
237.04303	0.3
258.83264	0.2
291.11349	3.8
291.14325	0.3
306.07767	0.6
335.10349	6.1
336.10742	0.3
497.15662	2.1
497.22934	0.3
498.15628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
66.51435	0.3
69.47372	1.2
70.27624	0.3
82.95417	0.5
117.38216	0.3
122.91124	0.3
163.21388	0.3
232.88336	0.3
277.76114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.218
Annotation	Deacetylnimbin
Peak:m/z	Relative Intensity
53.43933	2.3
60.40164	2.0
61.98817	5.3
62.19548	2.1
62.86773	2.5
67.91635	2.1
69.77136	7.1
72.92740	2.2
75.50700	2.5
78.91894	3.3
95.01411	2.2
98.21923	4.7
106.96400	2.2
123.00876	13.0
124.01669	6.9
138.03235	17.0
139.03989	6.7
149.05968	3.3
150.06845	6.6
153.05554	5.3
161.06119	3.2
162.06874	18.6
165.01988	3.0
165.09198	3.7
177.01955	11.9
177.05556	2.3
192.04317	24.8
195.11708	3.3
207.06618	63.8
239.07085	6.7
239.10765	5.8
240.07867	2.4
255.06625	3.3
256.07416	3.6
266.09528	5.7
267.06537	6.6
268.07465	10.9
269.08264	5.2
271.06036	3.4
271.13425	50.4
281.11810	25.3
283.13370	37.1
284.06836	9.5
285.07706	10.9
299.09085	14.0
301.10736	5.8
348.15994	2.4
407.15173	13.1
435.18143	65.7
436.18442	5.2
437.19748	100.0
438.19733	4.1
449.19876	6.4
479.20706	75.9
480.20865	4.6
497.21722	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	497.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	3.0
62.50931	1.6
69.00926	2.7
69.50430	4.8
69.50809	3.7
71.02521	1.8
74.46173	1.7
77.79092	1.7
93.03381	2.1
96.04537	4.5
97.35051	1.9
116.05060	32.3
119.05016	2.3
125.07172	1.7
131.03783	3.9
137.03441	2.1
137.06044	6.2
137.07193	5.2
139.05127	17.9
144.04546	21.2
145.02943	2.1
151.05176	2.7
168.07785	7.8
171.05630	3.1
198.04372	4.0
199.05124	3.6
211.08826	8.1
213.10396	7.8
229.13367	8.9
239.08282	20.8
243.10304	5.3
255.11310	5.1
257.12927	10.0
268.10803	8.4
281.08170	4.1
296.10480	3.9
300.90436	1.8
309.16119	2.9
312.92938	1.6
338.18539	1.8
338.58517	1.7
340.16513	4.4
352.16693	11.7
366.48761	1.9
381.19226	11.3
396.15616	100.0
397.15900	3.6
425.18347	20.9
468.13458	1.7
469.20645	1.8
497.24368	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2753
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
57.03422	0.7
59.01382	5.5
61.98825	19.3
71.01393	1.7
73.02927	1.1
82.95406	0.8
87.30001	0.6
88.65144	0.7
93.03444	0.9
98.22696	1.3
101.02457	2.0
113.02412	1.6
125.02433	1.0
135.04559	1.0
137.02443	0.7
142.48030	0.7
162.89505	0.7
188.60541	0.7
189.15987	0.7
191.05589	1.4
304.45166	0.7
317.21515	0.8
335.10626	0.9
335.22250	7.6
479.26694	1.8
497.27551	100.0
498.27985	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	497.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12759	18.3
51.95895	17.9
58.78303	20.2
61.98843	20.3
65.64085	18.1
68.08154	19.6
68.67635	22.1
69.20111	39.9
69.20508	100.0
73.92773	19.0
83.49403	20.6
114.36671	25.3
240.14990	19.0
247.62955	20.2
316.14664	20.7
320.11032	18.5
336.10153	19.6
513.89661	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05469	17.0
52.32463	15.6
57.24550	14.2
61.98825	33.6
62.73334	17.8
69.06584	100.0
72.19954	15.2
198.14476	15.1
259.20358	18.3
265.29440	16.3
450.73141	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.2
59.01378	2.8
69.31371	1.3
78.95901	1.0
80.91678	5.9
80.99918	0.3
99.14516	0.3
99.92585	1.2
113.80724	0.3
115.92098	0.3
152.99596	1.1
153.99855	0.3
155.95216	0.7
223.13144	0.3
224.16812	0.3
245.15031	0.3
259.16699	0.3
267.23328	0.7
277.25406	0.6
279.26910	18.1
285.18347	0.4
287.19925	0.4
293.24957	0.4
295.26428	9.5
297.27771	0.4
313.21442	2.4
315.22968	4.3
323.25891	7.6
335.25620	1.1
341.26944	12.5
342.27234	0.3
345.20480	0.3
345.24124	1.6
347.21979	0.9
363.25137	100.0
364.25433	3.5
380.23062	0.5
407.26627	0.8
415.30615	13.0
416.30707	0.4
423.25980	1.6
434.23773	0.4
437.28531	0.4
498.22858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
58.02973	2.1
59.01375	4.6
61.98827	6.9
69.03399	0.4
69.35332	1.3
69.35731	0.9
69.73383	0.4
71.01367	1.4
74.02460	3.5
75.00852	0.6
82.96686	0.4
85.02981	0.6
86.02477	1.3
86.06081	0.5
87.05651	0.5
89.02444	0.9
93.03426	0.4
96.04565	0.5
96.95976	0.6
99.05630	4.3
101.02431	0.7
105.03452	1.0
106.04234	4.9
112.04052	0.7
113.02491	0.6
114.05591	1.0
118.33829	0.4
128.03542	13.5
133.02960	6.3
135.04588	0.5
135.05676	0.6
137.00671	1.4
139.99379	0.5
141.06717	0.5
143.04626	16.2
144.07785	0.7
145.06218	0.7
146.04579	1.9
149.00647	0.8
150.03210	1.3
153.06735	0.5
159.00839	0.5
160.01712	0.8
161.02438	0.7
161.09718	8.6
165.00156	11.2
165.05554	4.9
166.00952	4.0
166.09990	0.5
167.04649	0.5
173.04564	0.4
177.01894	0.6
179.04651	2.8
185.05687	0.6
186.08833	0.6
188.45082	0.4
191.03491	1.4
191.05521	0.8
192.04280	9.8
192.99641	9.7
193.04933	0.6
197.04425	0.6
205.08690	19.5
210.08902	2.7
223.06168	0.8
225.02261	100.0
226.02577	2.2
229.76817	0.4
254.07828	6.9
272.08868	36.1
273.09042	0.6
288.06683	0.6
306.07547	2.8
311.11166	0.4
394.12134	0.5
445.52032	0.5
463.21484	0.7
476.12363	0.5
497.30093	0.7
498.11429	0.8
498.25330	1.7
499.19415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98829	100.0
69.32415	1.0
75.75234	0.2
76.01757	0.3
90.40498	0.2
96.73219	0.2
99.92577	0.3
115.92146	0.4
116.92887	0.3
134.98514	0.3
146.10085	0.3
146.35057	0.3
174.06909	0.3
191.05664	0.5
203.24734	0.2
254.61716	0.3
359.22937	0.3
385.59842	0.3
440.94952	0.3
452.49524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92215	0.2
57.93264	0.2
59.01378	0.6
61.98830	100.0
62.98812	0.2
63.83757	0.2
69.20706	1.2
74.02934	0.2
89.02470	0.2
125.02464	0.3
125.06089	0.2
161.02524	0.3
169.05034	0.2
191.05646	0.2
194.41528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	0.2
51.83561	0.3
59.01378	6.1
61.98829	100.0
67.21477	0.3
67.49632	0.3
69.08948	2.0
71.01378	1.7
72.78113	0.3
73.02958	0.9
78.99362	0.3
80.54452	0.3
85.02956	0.9
87.00898	0.7
88.98788	0.4
89.02449	0.7
97.06590	0.6
101.02440	1.6
107.15725	0.3
108.84634	0.3
110.55946	0.4
111.62047	0.3
113.02464	1.2
121.02968	1.2
122.03284	0.6
141.09229	0.4
143.10814	0.9
191.05658	0.3
192.24657	0.3
220.16711	0.3
251.53828	0.3
266.97403	0.3
273.11130	0.6
274.11630	0.8
275.11972	0.9
276.12051	0.4
331.17633	1.5
349.18561	2.4
391.19617	2.8
482.57306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24428	1.3
58.00591	1.6
59.01379	1.9
69.03458	6.6
69.43894	4.5
71.05013	2.8
87.00869	1.2
96.96050	1.8
97.02946	40.7
98.21940	2.3
101.06088	12.7
112.01665	3.7
112.40535	1.2
113.02453	4.3
116.12354	1.2
129.05537	1.6
130.36142	1.3
131.08237	2.3
141.01942	6.8
157.01425	3.7
173.04550	100.0
173.10475	1.9
191.05550	3.7
203.12982	1.2
262.18091	4.7
306.17075	6.3
324.18167	48.9
411.62250	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	498.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.9
69.14995	3.7
73.03678	1.4
73.04061	18.4
74.02470	48.0
78.95914	1.6
82.06625	1.8
82.94523	0.7
84.00905	0.8
87.05643	3.9
91.44598	0.8
95.16970	0.8
108.08206	1.3
112.02787	2.3
112.07728	0.8
118.05114	5.1
125.10840	0.9
126.09212	3.1
130.08730	2.8
139.08728	1.7
141.10313	5.1
143.11890	27.0
152.07178	6.7
152.99591	1.7
153.10359	2.0
165.10262	0.8
169.09807	7.0
169.13478	4.9
187.10876	7.3
200.14047	44.9
201.14465	0.9
226.15596	2.6
226.21751	45.8
256.49304	1.0
264.22134	1.0
266.21368	1.9
270.20712	2.3
283.23874	21.4
379.29593	1.6
383.68613	1.0
392.32748	0.9
397.30820	6.4
410.33832	3.4
436.35617	1.1
446.45993	0.9
454.32803	100.0
455.32962	3.8
480.34613	0.9
498.35440	69.3
499.35880	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	499.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.2
61.98841	2.4
67.01868	1.7
69.03436	1.9
71.01372	5.2
73.02961	1.3
75.49794	1.1
79.04937	1.1
81.03462	1.3
81.53006	1.2
82.95396	1.1
84.95116	2.2
85.02940	8.1
87.00876	2.9
89.02451	3.0
93.03462	9.6
101.02445	3.5
108.02196	1.8
109.02974	2.8
111.04534	3.4
113.02446	6.6
116.92875	1.9
119.05036	2.1
121.02983	2.4
127.04012	2.5
134.03726	9.9
135.04530	2.3
136.01669	8.3
137.02452	3.5
139.04050	3.6
140.99561	1.2
149.02438	13.3
151.00381	6.1
152.01125	2.1
152.40150	1.2
155.03473	2.4
161.04559	2.2
163.04041	2.7
164.04776	14.0
167.03474	2.5
173.04526	16.8
178.99847	2.3
179.07115	4.2
187.03957	3.5
187.07616	6.3
191.05608	100.0
192.05995	2.0
193.01381	6.7
202.06342	5.1
208.03772	20.2
223.06102	47.6
223.47575	1.1
231.10255	5.1
243.02963	3.4
255.03012	8.1
271.02448	21.4
289.10843	1.5
293.10358	2.0
300.02731	41.7
301.03513	17.6
307.11835	3.9
325.12933	9.9
385.11337	9.3
439.21857	2.6
451.32596	6.5
452.33173	4.8
463.08841	48.0
463.21863	1.9
464.08752	2.3
467.15649	2.8
481.17184	4.8
499.13358	7.6
499.20428	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09745	5.4
59.01379	73.4
70.70962	5.6
71.01380	64.9
73.79098	5.9
80.73270	5.8
89.02446	50.5
96.96002	45.7
97.02966	6.5
99.00868	6.8
101.02450	14.2
107.96969	5.5
110.60732	5.4
115.04008	6.3
118.96648	41.9
125.02444	23.9
126.11117	5.5
131.03578	6.0
132.98160	26.6
139.00354	5.2
139.04016	8.7
149.04585	6.6
156.98122	32.0
160.97694	26.4
173.04602	7.6
191.05586	14.0
198.53886	5.3
210.99191	17.9
217.00298	46.2
229.00288	14.1
233.06662	16.0
247.01414	7.7
259.01367	44.3
277.02359	8.8
293.08820	100.0
301.09277	7.8
341.10803	34.6
415.01419	7.0
439.07822	32.7
463.14673	58.4
483.19675	6.8
489.29193	6.7
499.12421	41.3
499.23648	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	499.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64979	1.4
59.01381	4.1
61.31652	1.3
63.31602	1.5
66.01337	1.7
67.01894	2.2
69.03453	82.0
69.70284	6.0
71.01389	12.5
81.99154	1.6
85.02938	9.0
89.02454	3.5
92.08424	1.7
101.02468	2.4
111.00886	24.2
112.00861	3.8
112.01661	97.3
113.02450	63.6
157.01419	100.0
179.05556	3.8
283.58676	1.9
341.10812	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	499.1456
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03430	0.8
59.01372	5.3
60.99299	3.8
61.98802	2.1
67.01885	9.7
67.22984	0.7
69.03437	2.5
70.79745	1.2
71.01371	5.9
71.94079	0.7
73.02916	1.0
76.38521	0.7
81.03432	2.0
83.01439	0.9
83.05016	1.8
85.02943	5.0
87.00874	13.4
88.44362	0.6
88.98801	1.2
89.02448	1.5
93.03455	66.5
94.03796	0.7
96.96010	4.2
97.46888	0.6
98.87487	0.7
99.00881	1.8
99.04507	1.1
101.02440	1.7
109.02929	2.5
111.04513	9.9
113.02444	2.1
115.03994	0.8
115.92050	1.2
119.05019	25.3
125.02437	0.7
125.54121	0.7
127.04005	1.9
129.01904	2.2
135.04504	2.0
137.02359	1.0
139.03990	1.8
143.03554	1.0
145.02934	2.2
149.06097	1.6
153.01956	0.7
153.05548	1.1
155.03519	3.6
161.02394	1.9
163.02707	1.3
163.04007	19.7
173.04535	21.7
175.04007	0.7
179.03500	1.5
187.07565	0.9
191.05602	82.6
192.05922	1.3
193.04793	0.8
219.02945	0.9
231.10118	1.0
237.04059	1.3
337.05667	0.9
337.09262	10.5
346.26007	0.7
352.77014	0.7
379.10046	1.9
499.14545	100.0
500.14655	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	499.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08183	0.4
55.71169	0.3
56.54220	0.3
57.03442	0.4
59.01374	3.2
61.98811	2.5
66.39217	0.3
68.62614	0.3
69.03452	1.3
69.26955	1.6
71.01367	3.0
73.02929	0.9
82.95428	0.6
84.95116	1.3
85.02961	1.8
87.00842	0.5
89.02427	1.3
93.03439	3.4
95.01418	0.4
96.96005	1.3
97.02145	0.3
99.00894	0.7
99.92609	0.8
100.93360	1.2
101.02425	1.6
104.72756	0.3
109.02940	0.9
111.00898	0.5
111.04495	0.7
113.02446	6.3
115.92063	1.0
116.92861	2.1
121.02940	3.4
123.04515	0.4
127.03928	0.4
134.03696	0.3
134.30785	0.4
135.04530	2.9
137.02463	0.7
139.04012	3.7
140.90190	0.4
143.03479	0.3
149.02435	24.5
150.56081	0.3
151.03995	0.5
152.01128	2.8
153.01874	0.5
153.05496	0.5
161.04555	2.1
161.09689	0.9
163.03999	3.8
164.04787	29.5
165.01930	1.1
165.05130	0.6
167.03482	0.8
169.05017	0.9
173.04553	3.8
173.06017	0.6
179.03529	0.5
179.05705	0.6
179.07120	12.0
187.07648	2.5
191.05602	5.4
193.01404	11.8
193.05081	0.4
197.04372	0.7
200.04675	0.4
202.06259	0.7
203.78246	0.4
205.08662	2.0
208.03755	27.9
209.04092	0.6
223.06099	100.0
224.06442	2.2
231.10242	1.4
237.05470	0.9
249.11314	0.5
263.12759	0.7
265.04828	1.0
265.07242	1.3
275.09241	1.0
301.09296	0.6
307.11810	0.5
311.47617	0.4
385.11740	5.5
439.21552	0.4
450.30090	0.4
481.17194	1.4
499.04272	1.2
499.18619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.96767	0.5
69.03448	1.5
69.32753	1.8
71.01367	1.5
73.02954	0.4
73.68507	0.4
85.02946	1.8
89.02440	0.8
93.03467	1.9
111.04488	0.5
113.02444	6.2
118.96838	0.5
121.02959	3.2
134.03743	2.3
135.04514	2.4
136.01649	1.9
137.02513	0.7
138.35562	0.5
149.02438	21.7
150.02814	0.5
151.04042	0.5
152.01097	2.2
161.04622	0.6
163.03995	4.3
164.04787	26.8
165.01898	1.6
165.05145	0.8
167.03552	0.7
169.05049	0.9
173.04529	1.5
179.07132	9.6
186.97505	0.5
187.07658	0.9
191.05617	11.5
193.01425	13.5
202.06406	0.8
208.03763	35.0
209.04065	0.9
209.11821	6.3
221.08183	0.5
223.06116	100.0
224.06540	2.3
227.12906	2.0
231.10233	0.9
242.44966	0.5
253.09303	1.9
276.72284	0.5
293.10245	0.9
307.11829	0.9
325.12949	1.4
361.26489	0.5
385.11401	14.9
445.20462	0.5
499.19559	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	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43199	0.3
59.01377	2.9
61.98820	1.0
66.12100	0.3
69.95356	0.3
71.01378	1.4
73.02953	0.4
77.42969	0.3
82.95410	0.5
85.02933	0.7
87.00870	0.4
89.02435	1.3
91.54731	0.3
93.03436	0.5
96.96012	5.1
97.02963	0.4
99.00879	0.6
101.02451	0.7
106.04244	21.4
113.02415	0.7
113.95567	0.3
121.02892	0.3
125.02432	0.6
127.04033	0.3
127.07679	0.4
131.03473	0.3
133.02951	0.3
138.03207	1.3
139.04051	0.6
149.02409	0.5
150.03217	2.5
151.03860	0.3
161.09717	38.8
162.10056	1.1
164.04779	0.5
182.02208	1.1
191.05632	0.6
197.04523	0.4
205.08685	100.0
206.09056	2.5
208.03789	0.6
217.06136	0.5
223.06126	2.3
225.02145	0.4
226.02565	0.3
233.06734	0.4
293.08817	1.6
293.13956	0.8
337.09546	0.5
363.64767	0.3
401.18042	1.7
439.12820	0.4
463.21817	2.3
499.20264	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98828	5.3
69.24272	0.9
71.01385	0.9
72.79521	0.2
73.02953	0.5
82.95419	0.5
84.95087	0.2
85.02968	0.4
89.02427	1.5
93.03461	0.5
99.00903	0.3
101.02442	0.4
106.04245	23.8
113.02482	0.4
121.02939	0.4
125.02451	0.7
131.03529	0.3
132.04564	0.4
136.47089	0.2
138.03256	1.3
146.07433	0.4
149.04553	0.6
150.03212	2.7
157.01443	0.2
160.02710	0.3
160.04041	4.8
161.09717	45.8
162.10068	1.1
182.02219	0.8
191.05502	0.4
205.08682	100.0
206.09026	2.6
226.90117	0.3
233.06622	0.8
293.08752	1.3
322.09280	3.0
349.18481	0.8
439.32776	0.3
499.18243	1.2
500.13678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99066	2.1
55.10223	2.3
59.01380	9.0
61.98820	7.9
69.64175	8.6
71.01382	9.8
71.18167	2.0
71.52317	2.9
73.02948	4.9
74.02514	2.9
78.91473	2.5
82.59267	2.4
82.95409	4.7
90.38847	2.6
98.22605	4.9
101.02422	4.7
106.04271	2.3
107.74055	2.3
108.02180	5.5
113.02468	5.3
116.92856	2.8
139.04037	3.5
152.01141	5.8
161.04555	2.6
161.09732	3.0
205.08731	7.9
270.60425	2.7
331.17648	4.2
419.86700	2.9
463.21909	40.4
499.19638	100.0
500.20233	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	499.1951
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01361	5.7
65.22620	2.1
68.27914	2.1
71.01385	7.6
73.02932	3.9
77.13655	2.1
85.02953	2.6
89.02450	3.9
100.35992	2.7
101.02424	3.6
113.02470	4.7
161.04518	3.8
200.71161	2.4
322.58017	2.3
325.52777	2.3
340.29425	2.2
463.21863	55.2
499.19501	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	499.1964
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01378	54.4
61.98829	20.6
69.61218	4.6
69.61565	6.3
71.01379	32.6
73.02950	9.8
83.01385	4.0
85.02966	17.9
87.00887	6.2
89.02449	23.3
93.03458	20.8
98.22656	2.8
98.30361	2.2
99.00878	4.9
99.92601	4.5
100.93359	4.7
101.02435	22.5
109.02963	4.5
111.00900	2.7
111.04524	6.6
113.02459	14.2
113.35828	2.7
115.92081	2.6
116.92854	6.8
119.03448	3.9
121.25666	2.3
131.03520	3.2
134.03770	15.0
135.04521	7.5
136.01674	13.5
137.02431	7.5
139.04015	4.7
143.03429	3.1
149.04568	10.4
153.01964	2.9
155.03481	6.7
161.04602	8.1
162.53493	2.6
173.04559	47.5
176.04749	6.0
177.05566	2.6
179.05606	5.0
179.07106	3.1
187.07629	12.3
191.05605	100.0
201.05486	3.1
202.06340	5.7
205.08685	7.4
213.09271	3.0
215.07149	2.4
223.06117	9.0
231.10309	10.3
249.11430	3.2
259.52213	2.3
261.06052	5.5
275.09076	3.0
293.10229	5.4
307.11722	6.4
307.17618	4.1
325.12872	19.1
386.10849	3.8
397.35773	2.6
439.21902	36.5
440.22699	2.5
463.21814	48.4
467.15601	4.0
481.17041	9.0
499.05408	3.7
499.19434	71.4
500.19464	4.9
510.71436	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	499.1952
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01371	24.7
61.98835	7.0
69.36514	16.0
71.01382	22.2
73.02950	5.4
82.95444	4.1
84.95128	11.2
85.02923	6.9
89.02457	14.7
93.03473	5.9
98.21883	7.7
100.93376	5.4
101.02458	11.5
106.04234	24.0
113.02445	12.4
115.92097	6.3
116.92858	13.4
121.02980	3.7
131.03505	4.0
135.04543	5.0
137.02417	4.4
149.02448	13.9
149.04503	3.8
161.04500	7.1
161.09723	34.8
163.03990	6.3
164.04784	18.0
173.04552	14.8
179.07089	10.9
187.07648	11.2
191.05579	25.8
193.01402	5.4
205.08685	98.9
208.03725	17.7
215.07196	4.3
223.06111	69.8
231.10355	4.3
249.11215	4.8
275.32309	3.8
307.11780	4.4
344.68793	3.6
366.93622	3.7
453.61789	4.5
463.21854	92.8
481.17172	8.0
499.05417	6.4
499.19559	100.0
513.95300	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	499.1952
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
57.22852	1.4
58.75311	1.4
59.01358	6.5
61.98829	17.5
71.01374	10.1
72.81430	1.7
73.02941	3.4
85.02942	4.1
87.00876	2.2
89.02451	2.8
101.02437	6.5
104.75940	1.8
111.00896	1.6
113.02451	5.4
129.18848	1.5
161.04530	5.5
191.05528	3.1
194.96184	1.5
205.08661	2.6
223.09874	1.6
240.07936	1.7
256.10641	5.9
263.03107	1.7
331.17621	4.9
436.16833	5.4
463.21756	45.6
499.19507	100.0
500.19797	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	499.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.5
61.98822	7.4
69.21529	9.5
72.65517	1.5
75.72860	1.7
78.59544	1.6
102.37459	1.6
121.02962	14.5
122.03739	3.4
123.00900	11.5
124.01672	3.7
125.02454	4.0
132.48901	1.7
134.03726	1.7
135.04530	5.6
137.02483	2.8
138.03217	12.3
139.04016	10.4
149.02344	2.3
156.07747	1.6
167.10635	1.6
177.01909	13.8
182.07381	2.7
192.04266	28.5
207.06631	60.5
210.84242	1.7
212.04742	2.4
212.11472	1.6
227.03432	2.9
227.06969	2.1
228.04274	2.8
239.03444	4.8
240.04286	8.3
241.05054	9.2
242.05811	4.0
243.06656	3.6
253.05020	9.9
254.05788	4.0
255.03023	2.5
255.06700	3.6
256.03748	8.6
257.04568	15.9
257.08267	2.5
258.05319	9.4
258.08865	9.1
268.07196	3.0
269.08078	2.7
270.05276	3.0
271.06079	10.4
271.09378	1.9
273.07724	13.4
273.11313	28.4
283.09732	24.2
285.11319	7.9
286.12082	5.7
287.09235	2.9
301.14417	17.8
315.15067	1.8
373.80554	1.7
391.11923	1.9
393.13196	3.8
407.11343	12.5
409.12878	30.4
422.13907	2.8
424.14948	2.1
437.16016	46.2
438.16287	3.2
439.17636	100.0
440.17792	3.8
463.19690	1.9
481.18658	93.2
482.19189	4.7
499.19867	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	499.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94242	0.7
69.73690	2.9
82.88862	0.7
93.03426	1.6
106.04240	1.2
107.05016	4.9
108.14872	0.7
123.04556	1.6
133.06627	0.9
135.04527	9.5
136.05304	4.1
137.02429	1.0
137.06104	4.4
149.06108	1.3
151.03954	0.9
175.03989	2.2
176.04794	3.4
177.05522	1.0
179.08647	0.8
181.10266	3.8
191.07196	1.2
197.09744	2.0
199.07631	0.8
211.07690	0.9
213.09227	0.9
215.07295	0.8
216.07983	0.7
223.07639	1.8
225.09210	7.3
227.10629	1.2
239.07097	0.8
241.08640	6.7
242.05812	0.9
243.10153	0.9
255.06627	1.4
255.10236	3.0
256.11053	2.3
257.08209	3.9
257.11856	2.1
296.10507	1.7
297.11282	4.5
311.12790	1.7
337.14441	1.8
361.14337	1.3
375.16046	1.4
376.44925	0.8
393.17105	8.5
481.20743	0.7
491.05255	0.9
499.21274	100.0
500.21478	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	499.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01376	10.9
61.98827	1.3
67.05530	1.0
68.29063	0.3
68.99810	1.1
69.03461	0.5
69.60813	0.3
71.01376	2.4
73.02947	0.6
81.03470	1.6
83.01391	0.3
85.02944	1.3
85.03437	0.3
87.00871	0.4
89.02465	0.7
93.03473	0.7
95.05029	8.3
96.96008	1.1
98.22862	0.3
99.00878	0.4
99.04539	0.3
101.02441	1.4
109.02943	0.4
113.02451	1.2
113.06060	0.4
114.93423	0.6
119.03522	0.3
139.04008	100.0
140.04306	0.9
141.09209	0.3
161.04549	0.7
187.07698	0.6
201.09215	0.5
215.07034	0.6
229.08678	1.1
230.09409	0.4
256.07471	0.4
282.01492	0.3
394.21158	0.3
402.13202	1.2
411.08154	0.3
413.15286	0.4
499.20831	0.4
499.29184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49637	0.3
55.01881	0.7
57.03438	0.7
59.01075	0.6
59.01378	12.3
59.37216	0.3
61.98817	1.1
67.05524	1.0
68.35634	0.3
68.99809	1.2
69.03467	0.4
70.66187	0.5
71.01367	2.1
73.02945	0.9
73.87620	0.3
81.03454	1.3
83.01363	0.4
83.24763	0.3
85.02960	1.4
87.00880	0.8
89.02455	0.5
93.03436	0.6
95.01374	0.4
95.05025	8.6
96.96016	1.2
99.39330	0.3
101.02460	1.3
111.00886	1.2
111.04549	0.4
113.02454	1.0
114.93431	0.5
119.03481	0.3
139.04019	100.0
140.04376	1.1
158.03702	0.4
161.04512	0.5
172.05287	0.4
173.04485	0.5
186.06949	0.7
187.07631	0.9
191.05640	0.6
201.05598	0.5
201.09299	0.7
201.11391	0.6
214.06261	0.4
215.07166	1.0
229.08688	1.3
237.90440	0.3
248.62927	0.4
274.08417	0.3
384.20724	0.3
402.13284	1.3
455.23242	0.4
499.26703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.3
57.28885	1.1
59.01377	100.0
61.98825	2.9
69.03451	2.9
69.28831	6.2
71.01378	32.6
72.26055	1.0
73.02942	6.2
81.42338	1.1
82.95412	1.5
83.01384	2.7
83.05009	1.2
84.76621	1.2
85.02962	9.0
87.00891	1.8
89.01925	2.2
89.02437	23.3
89.02950	2.3
93.03468	1.8
95.01394	2.2
97.02924	1.9
97.15192	1.1
99.00902	2.2
101.02438	17.0
106.54650	1.0
108.05775	1.8
111.12307	1.2
113.02447	31.6
113.06062	1.7
119.03511	9.3
123.08131	1.3
125.06077	1.5
131.03496	1.7
138.06834	6.9
139.07617	2.8
143.03506	3.2
151.00513	1.0
151.07640	5.6
152.08412	10.1
153.08022	2.4
153.09212	36.4
159.02914	1.9
161.04535	15.0
165.09178	1.7
173.04573	1.5
178.93283	1.3
179.05588	13.1
191.05569	3.7
205.12318	12.2
205.68758	1.1
215.95107	1.3
223.13374	16.1
271.40930	1.2
353.83517	1.1
380.74292	1.3
385.18625	24.9
482.10098	1.3
499.22159	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	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24485	0.8
55.01875	2.7
57.03438	2.3
58.01710	0.8
59.01378	55.9
61.92938	0.8
69.03456	8.7
69.17892	3.6
69.18292	2.2
71.01379	55.6
72.99315	1.0
73.02948	11.2
75.96526	0.9
83.01398	5.7
83.04994	1.1
85.02950	18.2
87.00874	1.6
89.02440	25.5
93.03424	1.3
95.01383	3.8
95.05029	2.1
97.02961	4.3
99.00883	3.8
101.02438	31.1
105.07066	1.0
108.05815	2.5
109.02966	3.2
109.06675	1.1
111.04552	1.2
113.02448	51.3
113.06083	1.5
119.03497	9.2
123.08154	2.7
125.02479	1.4
125.06062	5.4
129.01950	1.5
130.24608	0.8
131.03534	1.6
135.08345	1.2
136.01680	1.4
136.05354	1.4
137.02501	1.1
137.06078	1.7
138.05788	1.0
138.06856	18.4
139.07648	6.3
143.03529	4.1
151.07652	15.6
152.04785	1.8
152.08423	24.4
153.09206	100.0
154.09499	2.5
158.95924	0.8
159.03020	5.8
161.04550	36.7
163.11282	3.0
165.09213	2.5
173.04564	2.9
179.05576	6.3
189.09230	1.2
190.10025	2.3
191.05542	1.3
205.12326	34.0
219.35168	0.8
223.13379	38.3
224.13632	1.4
243.07791	0.9
293.10049	1.3
317.72485	0.9
325.12991	1.4
385.18680	98.4
386.18973	3.1
499.21805	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	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01712	0.4
61.98830	1.2
71.01395	0.9
82.95426	0.5
85.02950	0.5
101.02428	0.5
113.02435	0.8
124.04245	0.4
142.87578	1.1
161.04526	0.6
166.57506	0.4
397.22333	0.6
439.23468	1.0
486.55807	0.5
499.28342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98845	0.4
69.11401	2.4
71.01372	0.5
73.02950	0.4
85.02937	0.4
101.02460	0.4
109.55714	0.3
397.22238	0.5
405.03705	0.4
439.23352	0.8
499.18933	0.5
499.25861	0.6
525.96674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.7
57.03432	1.5
59.01376	43.5
60.01696	1.2
60.30570	0.7
61.98829	13.4
63.07127	0.8
69.20802	2.7
69.21206	2.1
71.01385	6.7
71.05009	1.5
73.02950	2.9
75.00872	1.8
79.01857	0.8
80.01452	0.7
85.02943	4.0
87.00867	1.9
89.02443	3.2
89.03355	0.8
93.03461	1.2
97.06585	1.8
101.02433	4.7
106.04221	1.0
112.01664	18.4
113.02456	7.4
113.09709	1.5
119.03497	1.1
119.04980	0.9
122.03729	3.3
125.09650	0.9
127.04008	30.2
133.02966	1.3
134.03764	1.8
135.00827	1.2
135.04550	2.0
140.10822	5.0
144.00638	7.5
147.04588	1.1
150.03201	4.1
151.03969	1.4
161.02457	1.8
161.04567	2.2
162.03215	9.0
165.05554	2.6
173.04446	1.2
177.05566	10.5
178.02740	2.7
179.05579	1.2
187.11240	1.4
189.01993	5.9
191.05608	3.1
193.04987	1.1
210.15085	0.8
221.04539	30.4
225.07829	0.9
243.12270	2.6
300.12439	2.4
310.82007	1.0
315.18149	1.8
328.11902	1.4
352.15659	1.1
375.04938	1.0
386.19113	1.2
387.20255	1.6
428.17108	100.0
429.17401	3.6
500.22540	3.3
500.29120	5.6
501.23627	1.1
501.30783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04611	0.2
59.01377	1.0
61.98831	100.0
66.75211	0.2
69.26395	1.0
79.03886	0.2
82.95426	0.3
89.02449	0.3
101.02432	0.3
105.27721	0.2
113.02438	0.3
119.05069	0.2
135.04568	0.4
136.05302	0.6
143.77608	0.3
151.07704	1.1
161.02519	0.3
173.74199	0.2
179.05681	0.2
191.05630	0.3
191.64362	0.2
206.65297	0.2
242.09494	2.0
248.88905	0.3
257.11832	2.9
290.73169	0.2
294.11115	0.3
366.65866	0.3
437.18143	5.0
529.16064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.20336	0.1
61.98829	100.0
71.01395	0.3
82.95430	0.3
89.02454	0.5
101.02429	0.2
113.02451	0.3
135.04570	0.3
136.05327	0.5
151.07646	0.9
161.02475	0.3
227.10878	0.2
242.09433	1.5
257.09335	0.4
257.11786	2.6
437.18231	3.5
437.23944	0.3
463.82425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51921	0.5
55.01855	0.5
57.28758	0.6
59.01376	2.9
61.98829	100.0
68.74434	0.4
71.01382	0.7
71.41932	0.6
76.05351	0.4
81.13632	0.5
82.95415	1.2
112.01664	1.7
113.02469	0.6
127.04003	3.2
128.71179	0.5
144.00594	0.6
158.84685	0.5
161.02554	0.6
162.03282	0.8
177.05643	0.9
189.01959	0.7
221.04536	3.5
302.16751	0.6
428.17075	12.1
428.22473	0.8
522.40149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	3.8
59.01368	4.5
61.47668	1.0
61.98830	26.8
69.72181	2.8
71.01379	2.8
73.02951	1.2
73.04070	4.3
74.02472	34.9
85.02940	1.1
85.04079	2.7
87.05650	10.4
88.04029	1.4
89.02452	1.8
96.05744	1.0
99.05656	0.9
101.02427	1.2
106.04264	1.3
106.95685	1.0
110.02477	3.2
111.02023	1.0
111.05608	1.6
112.02799	2.5
112.04032	1.2
112.34398	1.0
113.02448	2.2
126.06735	7.2
126.09235	2.9
127.05155	2.3
129.06696	9.8
129.10324	4.1
130.08720	2.9
137.06073	1.4
139.08780	2.7
140.07236	5.0
143.11911	20.2
144.07796	28.2
151.08743	2.5
152.42671	0.9
153.10301	1.4
161.02441	1.4
161.09743	2.0
162.10063	1.1
163.11200	1.1
165.40352	1.0
168.07797	16.4
169.06148	1.5
169.09850	3.8
173.04565	1.4
173.90909	1.2
180.07753	1.6
186.08836	31.6
187.10921	7.5
191.05568	1.6
195.15047	1.0
196.14571	1.6
197.16585	1.6
198.08771	2.2
199.18202	1.2
200.14061	1.6
205.08662	3.2
206.09058	3.6
214.15622	1.9
216.09904	3.0
225.16081	3.6
239.15201	1.5
256.20306	25.1
279.58560	1.1
281.16162	1.3
282.18137	1.9
296.27866	1.2
300.19250	2.2
303.12262	1.2
313.19299	1.5
313.22501	6.6
328.19394	1.4
369.21408	3.6
384.26147	4.1
395.22629	1.3
426.27405	2.5
428.24960	1.5
464.21912	2.0
470.26187	83.4
471.26358	2.5
482.26178	14.7
500.27280	100.0
501.20435	1.4
501.26920	4.7
507.83890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67315	0.3
61.98829	100.0
68.60667	0.3
70.95056	0.6
71.07639	0.3
82.95419	1.1
84.00907	2.3
99.92577	0.6
100.92605	0.6
101.92406	0.6
107.65937	0.4
126.63837	0.3
152.99614	0.5
155.95244	0.4
172.85513	0.3
207.30043	0.4
260.09140	0.4
279.26923	2.9
323.25909	1.6
341.26984	3.2
363.25299	0.9
365.25443	0.5
366.26102	0.5
374.51233	0.4
378.45065	0.4
415.30618	4.7
416.31232	0.4
471.44473	0.4
500.28467	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	89.2
66.37907	0.5
66.70340	0.6
69.87122	1.6
81.40961	0.5
106.53388	0.5
132.98181	1.6
134.97026	1.0
157.03581	4.0
159.01494	0.9
174.99240	23.9
184.00949	0.5
201.02550	31.5
202.02657	0.9
217.00293	100.0
218.00722	1.2
276.98172	1.5
292.96173	1.2
329.16101	0.5
334.97086	0.6
343.03479	3.1
359.01459	59.5
359.32660	0.5
360.01605	2.1
399.89847	0.6
400.89227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02457	1.0
60.14487	0.9
64.08466	0.9
67.77004	0.9
71.03488	1.1
71.05033	5.5
80.72856	1.0
87.04508	3.3
98.22593	1.2
113.02446	1.0
115.04011	65.7
128.95627	0.9
130.08752	1.2
156.35872	0.9
158.40567	1.0
159.02991	100.0
168.10089	1.0
211.06099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
69.03458	0.7
70.35362	0.5
71.01340	0.6
71.05022	5.3
71.16843	0.9
87.04519	3.2
97.02921	0.8
113.02438	1.5
115.04012	58.0
116.04343	0.8
116.07152	1.4
131.03448	0.8
131.36006	0.6
141.01918	0.7
142.05092	5.8
156.09140	0.7
158.04527	3.4
158.67792	0.5
159.02989	100.0
160.03305	1.3
160.06137	8.6
182.71625	0.6
203.87325	0.6
356.40018	0.6
378.96539	0.7
433.75027	0.7
443.26630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03444	1.9
59.01379	80.7
61.98822	2.8
69.03452	13.6
70.72884	0.8
71.01380	42.8
73.02952	6.8
82.95402	1.3
83.01397	2.7
83.05000	1.2
85.02951	12.0
87.00877	1.8
89.02441	34.2
90.79589	0.9
93.03460	2.4
95.01378	3.1
98.22618	0.9
99.00863	2.1
101.02446	27.6
107.05003	1.2
108.02164	1.3
109.02928	1.9
113.02451	79.1
114.02778	1.5
119.03500	14.4
121.06592	1.5
123.08152	9.0
124.20605	0.9
130.58592	1.1
131.03499	1.6
137.02470	4.6
137.09700	4.3
139.04089	1.1
143.03462	4.4
148.75279	1.0
153.01930	2.5
159.02986	3.3
161.04555	24.8
163.07596	1.0
163.11288	36.3
164.11578	1.1
173.04494	2.8
174.04865	1.3
175.05096	1.1
179.04102	1.1
179.05620	17.4
182.02084	1.1
189.12845	9.7
191.05586	2.1
203.14520	1.0
206.49275	1.1
207.13916	17.1
225.14955	5.1
237.77821	0.9
267.25543	0.9
387.16437	100.0
387.20258	10.2
388.16794	4.2
441.12186	1.1
501.23547	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	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03438	1.3
58.00585	0.8
59.01378	75.4
63.59890	0.7
69.03456	5.8
69.26331	3.2
71.01379	41.7
73.02943	5.7
77.60292	0.7
83.01379	3.5
85.02952	13.3
86.40366	0.6
87.00864	4.6
89.02441	39.0
95.01363	3.3
96.95980	0.8
99.00889	1.0
101.02436	28.4
101.35973	0.9
107.07214	0.7
108.77554	0.7
111.00901	1.8
112.77357	0.8
113.02446	34.4
119.03496	16.7
129.51755	0.8
131.03497	3.0
135.04509	1.1
137.09723	0.9
139.03983	2.7
143.03510	4.5
149.04535	1.8
152.08420	4.1
153.09239	1.2
155.03464	2.3
159.02951	1.3
161.04553	11.5
161.13318	1.1
179.03976	1.4
179.05591	12.8
191.05597	1.8
205.12332	0.8
207.13934	2.0
217.03526	1.7
225.14928	11.8
313.11423	1.6
353.08737	1.5
369.19235	2.5
387.20227	100.0
388.20547	3.3
483.15335	1.3
501.23810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03438	2.1
59.01377	100.0
61.98820	1.6
69.03456	12.7
69.14174	6.8
71.01382	54.8
72.72874	0.9
72.99303	1.3
73.02952	4.6
83.01377	3.2
85.02943	13.1
87.00865	2.1
89.02441	73.3
91.03356	0.9
93.03429	1.4
95.01374	4.4
97.02933	1.1
98.00096	1.6
101.02440	30.3
113.02448	88.1
114.02785	1.2
119.03498	27.8
131.03496	3.9
135.04504	1.3
143.03493	7.5
149.04541	3.4
159.03000	1.4
161.04559	16.0
173.04553	2.3
179.05603	31.0
191.05591	3.8
258.53650	1.0
266.08679	0.9
268.77917	0.9
387.20251	21.2
493.98050	1.1
501.23184	8.8
501.29327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49504	0.5
55.01876	1.0
57.03448	0.8
58.00596	1.2
59.01377	100.0
60.01731	0.6
69.03452	14.2
69.58222	2.0
71.01379	52.7
72.99331	0.6
73.02939	2.8
83.01384	1.1
85.02940	8.9
87.00864	2.9
89.02441	77.5
95.01379	3.7
98.00101	0.8
99.00873	0.8
101.02439	25.0
107.03499	0.9
113.02448	80.7
114.02753	1.0
119.03500	30.8
123.08167	2.1
125.02455	1.3
131.03497	4.5
143.03494	7.3
149.04547	3.2
161.04549	13.9
163.11266	2.1
173.04469	0.6
179.05606	62.0
180.05962	0.9
189.12747	2.7
207.10216	1.6
207.13866	3.5
225.14905	1.9
387.12466	0.8
387.16357	14.1
387.20325	2.9
501.23572	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	501.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61402	1.2
59.01376	18.9
69.03457	15.7
69.13969	7.5
71.01378	26.0
73.02946	5.4
83.01399	2.0
85.02937	8.3
89.02440	10.6
95.01388	1.7
99.00900	1.5
101.02444	15.5
101.38915	1.3
106.22305	1.1
113.02448	100.0
119.03507	4.6
123.08172	14.3
137.09721	3.7
143.03473	2.6
159.03044	3.2
161.04568	20.1
163.11287	13.7
171.11673	1.1
179.05630	5.4
189.12823	22.7
189.14420	1.5
207.13896	31.5
219.72496	1.5
225.15010	8.4
259.44745	1.2
270.53397	1.2
387.20129	13.4
483.07211	1.4
501.23230	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	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
64.50925	0.3
71.01389	0.5
71.05221	0.3
89.02474	0.4
98.42482	0.3
101.02425	0.3
113.02463	0.5
161.04585	0.3
166.22131	0.2
399.24039	0.5
402.45114	0.2
406.32355	0.3
441.25043	0.6
490.27435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01724	0.7
60.86431	0.4
61.98826	2.3
68.99571	2.1
69.13695	1.0
69.14114	1.8
71.01383	5.2
73.02950	2.4
83.01396	0.8
85.02975	2.3
87.00872	1.0
88.70240	0.4
89.02467	2.1
92.52578	0.5
93.03445	0.6
94.92265	0.4
96.96056	0.6
97.44097	0.5
99.00910	0.5
101.02433	3.6
108.25435	0.4
111.00902	1.9
112.98588	2.0
113.02457	3.9
115.00352	0.5
116.92888	1.5
119.03503	0.7
161.04573	0.9
175.02547	0.8
179.05605	0.6
191.05656	0.7
201.11620	0.5
217.00401	2.0
223.13399	1.3
399.23886	1.1
415.11932	1.0
425.80777	0.5
439.24020	0.5
441.25238	1.5
501.30344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	0.5
61.98848	0.8
69.34647	1.9
83.42132	0.4
98.21898	0.8
101.02444	0.7
113.02441	0.9
116.92868	0.9
119.03508	0.6
150.78935	0.5
225.01337	0.5
349.38144	0.5
363.30511	0.5
408.33353	0.5
416.18359	1.0
487.67322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.22298	0.4
57.03437	0.7
59.01378	100.0
60.01711	0.7
61.01793	0.4
69.03454	0.5
71.01380	5.2
73.02931	2.0
80.91679	2.7
82.83726	0.4
83.01386	0.7
85.02962	2.3
87.00889	0.8
89.02457	2.2
95.01405	0.4
97.06615	0.5
101.02441	3.1
112.01675	1.1
113.02467	4.8
117.32115	0.4
119.03491	0.9
122.03809	0.5
127.04046	2.2
131.03546	0.5
133.80763	0.4
141.01724	1.8
143.03456	0.6
153.01755	1.0
155.03442	0.4
161.04613	1.6
161.09737	0.5
161.13441	0.4
162.03279	0.8
180.34950	0.4
187.11255	0.8
189.09109	0.4
191.05710	0.4
207.58150	0.4
221.04623	1.2
222.04948	0.8
362.19562	0.5
371.20816	0.4
387.20239	1.8
399.23798	0.8
428.17004	0.5
429.17401	6.7
501.23215	2.3
501.30591	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	501.2965
Annotation	Acremolide A
Peak:m/z	Relative Intensity
50.40700	1.1
55.86288	1.1
56.22301	1.0
56.83118	1.2
59.01357	1.2
68.84899	1.3
69.19316	4.5
69.19736	2.7
75.00871	2.3
81.56802	1.2
91.03333	1.1
91.03960	1.7
131.33691	1.2
148.99843	1.4
213.36288	1.3
277.02579	1.5
301.21350	1.5
307.30051	43.6
308.30402	1.5
311.35178	1.2
323.29523	4.6
327.54160	1.3
341.24316	1.5
351.29077	17.9
355.32074	1.6
369.30054	40.5
369.34738	2.1
391.28281	56.9
392.28564	1.8
443.33829	25.5
501.29611	100.0
502.29819	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	502.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03442	1.9
59.01377	44.0
60.01704	1.3
61.98828	10.1
67.01879	4.1
69.03465	3.7
69.91440	1.3
69.91764	1.4
71.01379	16.2
72.01726	1.8
73.02947	4.8
81.03468	0.9
83.01396	1.3
83.05022	2.0
85.02950	9.2
87.00871	2.8
87.04533	1.0
89.02441	12.2
90.02768	0.9
93.03458	29.3
95.05029	1.2
96.04538	1.0
96.95989	0.9
97.02924	1.4
99.00859	1.2
99.04530	1.4
101.02438	8.8
102.02762	1.5
108.02199	1.1
109.02950	12.5
111.00858	1.4
111.04520	6.7
113.02442	14.5
114.02769	2.1
119.03503	3.1
123.04492	0.8
124.04054	7.9
127.04010	2.3
127.07685	0.9
131.03493	1.7
133.02954	4.4
134.03757	2.7
134.06119	2.7
135.04526	26.8
136.04947	0.8
137.02440	6.6
139.04016	3.6
143.03494	1.4
149.04681	1.4
150.05588	3.6
151.03992	0.9
151.07635	1.5
155.03520	4.7
159.04501	19.9
161.02412	2.2
161.04585	4.0
163.04030	0.8
164.08635	0.9
173.04544	100.0
174.04848	0.9
177.01921	1.8
177.05351	1.0
179.03493	32.1
179.05571	4.0
191.05608	42.1
191.10741	1.8
198.06828	0.9
203.03488	15.8
213.09108	0.9
225.14906	1.4
241.07373	0.9
254.08182	2.9
255.08910	4.3
256.09802	5.2
266.08231	3.0
282.07608	2.8
284.09283	12.7
300.08710	0.9
310.07159	9.2
328.08267	10.1
351.07178	2.2
353.08780	35.0
354.08936	1.2
377.08728	3.5
386.57925	0.9
387.20276	3.4
388.20541	3.6
389.17914	1.6
426.22931	2.4
501.23499	1.2
502.13483	1.5
502.23935	2.2
527.02820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
59.01374	14.8
60.01697	0.8
61.41114	0.3
61.98814	1.8
65.65097	0.3
69.03441	1.2
71.01376	7.4
72.01719	0.5
73.02940	1.6
83.01390	0.5
85.02943	6.6
87.00874	1.6
89.02438	4.7
93.03445	2.5
98.22645	1.0
99.00852	0.6
99.04490	0.4
101.02441	4.3
102.02844	0.5
105.03441	0.5
109.02933	0.5
111.04504	1.4
113.02450	7.5
114.02764	1.4
119.03499	2.5
120.03829	0.5
127.04005	1.5
127.07655	0.8
127.41862	0.4
130.08722	0.5
131.03517	0.4
133.02939	2.0
134.03708	1.4
134.86578	0.4
135.04521	5.4
137.02428	0.5
139.04013	1.8
143.03520	0.9
159.70667	0.3
161.02441	2.4
161.04549	3.0
162.04837	0.4
163.83511	0.3
165.12967	0.4
171.02969	0.6
173.04509	2.2
177.01921	0.4
178.02724	0.5
179.03508	4.4
179.05559	1.7
191.05597	100.0
192.05908	1.5
210.47992	0.4
352.07916	0.8
353.08743	27.9
354.09244	0.8
386.44913	0.4
387.20322	2.5
388.20401	2.8
389.21701	1.4
474.03857	0.4
501.23190	1.2
502.13437	0.4
502.23267	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	502.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
57.19944	0.8
59.01377	49.5
61.98829	100.0
64.64131	0.7
69.03458	1.6
71.01377	19.6
71.25188	1.1
73.02949	11.1
75.00866	1.6
83.01369	3.2
85.02952	14.1
86.86712	0.7
87.00904	1.3
89.02459	7.7
95.01387	5.8
101.02446	22.7
113.02444	34.9
119.03515	4.8
131.03485	4.9
143.03499	3.0
145.46779	0.9
149.04532	6.7
161.04559	12.7
211.11217	1.1
221.06656	4.6
528.29333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.4
61.98825	100.0
69.31983	0.4
71.01380	5.1
71.14188	0.5
73.02941	12.6
75.08490	0.4
81.62642	0.4
83.01389	3.0
84.11952	0.4
85.02950	0.9
89.02444	1.7
101.02435	10.5
113.02425	3.4
119.03503	1.6
131.03532	1.1
143.03542	1.1
149.04549	2.6
161.04530	5.1
187.45897	0.5
191.05708	1.0
203.05669	0.6
205.70419	0.4
209.06947	0.5
221.06749	2.0
301.66388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85199	1.7
56.26624	1.5
60.46913	1.5
69.44168	6.6
72.04546	13.8
75.26405	1.7
82.02983	52.5
98.02475	5.9
100.04042	31.0
131.54430	1.6
157.57718	1.6
166.08746	15.0
168.10275	2.7
203.66867	1.6
212.09265	100.0
213.09570	1.9
262.04504	1.7
265.76538	1.8
385.18729	1.9
502.26196	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	502.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21136	16.1
54.19554	16.6
60.97731	16.4
61.98823	24.8
67.34637	16.9
69.20042	100.0
106.51311	17.3
109.74322	18.2
143.65692	18.0
195.91005	17.3
212.67221	16.6
238.29178	16.4
252.65131	20.0
255.10320	18.7
389.85056	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01023	0.5
55.91447	0.5
57.82635	0.4
58.69589	0.4
59.01381	0.6
64.49854	0.4
64.96334	0.4
66.34807	0.4
70.85341	0.7
71.01375	0.4
74.02472	0.5
87.00869	0.4
89.53516	0.5
92.69653	0.4
98.06121	0.6
99.04524	0.6
102.15858	0.4
115.04024	0.9
116.07178	18.9
142.05098	56.9
143.05400	0.6
158.04547	0.5
159.03003	3.6
160.03452	2.6
160.06149	100.0
161.06432	1.5
203.94337	0.5
230.11729	0.4
263.39944	0.4
281.20755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08720	0.6
55.53343	0.6
58.02965	2.8
59.01374	1.8
60.48551	0.7
60.72124	0.7
61.98823	2.6
70.64014	0.8
71.01362	0.9
73.04066	9.3
74.02455	1.9
75.00868	1.3
84.00932	1.4
85.04086	1.1
85.20405	0.6
87.05653	0.7
96.00928	0.9
97.04039	0.8
98.02460	2.3
111.02010	0.8
112.05141	4.1
113.03589	1.2
114.01942	1.7
115.05131	9.6
115.08755	1.4
116.07147	1.0
123.09302	0.8
125.03572	1.2
125.07230	1.2
127.05151	1.4
127.08755	2.1
128.03554	2.0
129.10326	3.4
130.06221	13.4
130.08742	21.2
137.07217	2.3
141.10274	1.1
142.06114	0.9
143.04599	0.7
143.11890	13.2
146.06120	0.9
148.63853	0.7
151.08804	4.0
154.06229	12.2
154.09834	2.2
155.04601	1.8
155.08260	4.6
155.11900	3.1
167.08260	0.9
168.11443	1.9
169.09836	2.3
172.07272	22.3
172.10942	1.3
173.09329	0.9
184.07304	1.2
184.10823	1.0
186.12538	1.8
187.10895	6.6
191.05583	2.1
199.10876	1.1
200.14018	2.7
225.04083	0.9
225.07664	1.3
225.11334	0.7
226.08034	1.5
226.12054	1.1
242.15071	1.1
242.18735	13.7
252.17192	1.2
253.13052	2.1
254.18738	1.0
264.17123	1.7
268.16708	1.5
272.12515	0.9
278.12311	0.9
286.17700	1.9
299.20825	6.9
311.20801	1.2
341.14542	1.7
343.19882	4.8
356.22882	0.9
398.23892	0.9
412.22168	1.6
434.21732	1.3
442.23022	14.5
454.23068	2.0
472.24054	26.7
473.24307	1.6
484.24295	5.2
502.25198	100.0
503.25696	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	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75748	0.6
55.01871	1.6
57.01945	0.7
57.03423	1.2
58.00594	1.0
59.01377	74.0
60.01713	1.7
61.98827	2.2
69.18245	4.1
70.79410	0.7
71.01381	28.6
72.73849	0.7
72.99285	0.9
73.02934	4.2
81.03456	18.9
82.95412	1.3
83.01375	1.9
83.05023	58.5
85.02949	9.5
86.02475	2.8
87.00867	2.2
89.02444	20.8
95.01387	2.2
97.02943	0.8
98.22746	1.2
99.00896	1.1
101.01791	1.2
101.02439	15.7
113.02455	12.4
113.09810	0.6
119.03500	8.9
125.02396	0.8
125.43006	0.7
127.04004	2.4
127.11343	0.8
131.03522	1.1
139.04001	2.1
142.08757	3.0
143.03490	1.9
144.10332	1.2
145.05055	3.6
148.16208	0.6
149.04590	1.1
161.04553	2.0
170.08231	2.4
179.05557	3.4
181.12331	6.8
188.09265	15.8
194.15485	1.4
255.19612	1.0
270.02774	0.6
297.78506	0.7
322.20309	1.8
332.13470	2.3
350.14520	23.7
351.15024	1.0
359.28052	0.8
389.21817	1.3
399.23804	2.4
404.19144	1.5
417.24829	2.2
459.25876	1.5
484.25397	6.9
502.26553	100.0
503.25735	3.1
503.33023	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	502.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
66.02879	0.6
76.44876	0.6
79.98866	0.6
80.42643	0.7
84.09533	0.6
92.69788	0.7
93.99476	0.6
119.01042	0.7
163.92101	0.6
164.51106	0.6
171.13600	0.6
230.42668	0.7
366.84464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89544	1.1
61.98829	100.0
76.21666	1.2
78.95902	2.0
87.87618	1.1
96.96056	1.3
104.50195	1.2
215.06827	1.2
224.03760	1.3
238.71651	1.2
249.65007	1.3
277.21738	2.2
281.11203	1.3
305.24841	6.7
314.14627	1.2
348.03745	1.3
502.29254	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	503.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
71.01353	0.6
75.00851	0.7
81.50990	0.4
88.98791	0.6
93.60620	0.4
96.95981	0.5
99.92588	8.6
113.02438	0.5
114.93410	0.9
115.03978	0.7
116.92860	100.0
117.92858	2.3
138.13892	0.4
153.05589	1.4
225.62102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37018	1.0
50.93320	0.9
59.01377	13.0
61.98822	3.1
70.61229	1.4
71.01378	6.2
73.02952	1.0
82.95413	23.1
84.95111	8.4
85.00410	1.2
85.02943	2.0
89.02427	7.1
93.03434	1.0
96.95984	1.1
97.78233	1.0
99.92595	8.4
101.02448	3.1
102.98635	1.0
113.02435	4.2
116.92862	100.0
117.92865	2.0
119.03486	2.1
135.04523	1.1
143.03581	1.1
149.02461	1.6
149.75450	0.9
173.04674	1.0
174.30428	1.0
176.05658	1.3
179.05632	3.5
191.05487	1.2
197.76181	0.9
240.07927	16.4
241.08257	1.9
255.06512	1.8
255.07225	1.5
255.10251	38.0
256.10529	5.3
257.11792	0.9
300.03867	1.0
323.09830	1.8
459.12875	1.6
503.16098	4.2
503.23206	0.9
503.32288	3.3
504.25748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03434	1.4
58.00592	1.4
59.01377	100.0
62.15743	0.7
70.99464	0.8
71.01379	68.7
72.99305	2.4
73.02953	2.5
74.21316	0.7
83.01381	2.6
85.02948	14.3
87.00871	3.8
89.02442	77.6
95.01382	4.0
96.95998	3.9
97.02951	1.2
99.00898	1.3
99.04511	1.2
101.02434	34.2
113.02444	35.5
114.02768	0.7
115.04012	2.3
119.03500	24.3
125.02464	1.7
131.03448	3.2
143.03493	15.9
149.04559	2.7
159.03070	1.8
161.03250	1.2
161.04555	19.7
161.05846	1.3
161.08226	1.3
179.05598	30.2
215.05685	0.6
278.21008	0.8
323.09818	33.1
335.39294	0.8
341.10913	4.7
503.16159	48.3
504.16489	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	503.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03441	1.9
58.00609	1.1
59.01377	100.0
69.56998	2.4
71.01379	65.9
72.01736	0.9
72.99321	1.4
73.02944	2.6
83.01385	3.1
85.02943	14.0
87.00876	3.4
89.02441	71.1
95.01392	4.8
97.02943	1.3
99.00878	1.8
101.02438	36.5
111.00897	0.9
113.02443	34.5
119.03494	21.6
125.02454	1.6
125.49339	0.6
131.03496	4.6
143.03499	9.0
149.04536	3.0
161.04544	10.4
179.05598	28.2
277.72482	0.6
323.09787	27.2
341.10760	4.4
389.60757	0.6
503.16141	48.0
504.16397	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62096	0.8
56.62790	0.7
58.06166	0.8
64.01945	0.7
64.20538	0.7
69.70566	1.6
69.70919	1.3
71.05016	5.8
78.69715	0.7
98.21924	1.6
99.04518	21.7
115.04008	14.8
116.04415	1.0
117.05560	2.4
123.06549	0.7
143.03502	92.3
153.80855	0.8
159.03008	2.4
161.04558	100.0
162.04890	1.7
226.95308	0.7
325.04202	1.3
442.23654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64591	1.3
71.05006	5.4
77.22421	0.8
87.04495	1.4
93.43407	0.8
99.03912	1.2
99.04523	21.4
104.52659	0.8
104.67565	0.9
115.04027	13.0
115.83609	0.8
117.05569	2.6
134.22978	0.9
143.03497	92.3
144.03799	1.3
159.03008	4.0
161.04556	100.0
162.04855	1.6
169.17885	0.8
169.19505	0.8
204.87817	0.8
267.99109	0.9
325.03781	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	503.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.3
59.01378	52.6
61.98820	3.9
69.06262	6.1
69.96295	1.0
71.01382	27.7
73.02940	6.7
73.42068	0.8
78.91879	0.9
81.03439	1.0
82.95402	1.1
83.01388	3.0
85.02952	6.9
87.00877	2.1
88.72237	1.0
89.01929	1.8
89.02446	26.3
93.03432	1.1
95.01388	2.2
96.96011	3.5
97.02940	2.2
99.00866	1.8
99.04531	7.3
101.02446	20.5
107.05008	2.1
108.02151	1.1
109.02937	1.4
113.02446	15.7
116.92870	1.0
119.03510	8.5
119.04996	1.1
120.01257	2.2
120.99639	2.6
121.06601	2.3
124.58463	0.9
124.78877	1.0
125.02436	3.8
125.06058	3.6
130.08739	1.6
131.03477	1.6
135.04547	1.2
137.06067	2.3
139.07632	2.8
143.03465	4.2
143.04448	0.9
149.04550	1.3
153.01994	1.0
153.09207	1.0
161.04562	4.8
161.08301	1.2
162.03197	1.5
163.07660	3.1
165.05576	2.2
173.04482	2.1
177.05560	1.4
179.05620	8.8
179.10745	4.2
181.08705	5.5
181.12260	1.3
181.16527	0.9
185.24469	0.9
187.11211	1.5
191.05592	2.2
195.50189	0.9
199.09761	13.2
202.12395	1.2
213.09225	2.0
227.10771	2.4
231.10223	3.1
233.06718	2.1
241.51773	0.9
251.10670	1.9
269.11826	5.1
287.12912	8.2
293.08835	1.2
305.13934	38.5
306.14346	1.3
323.09836	6.2
359.14551	1.5
361.15039	14.7
449.18332	1.2
459.18414	2.1
465.26477	1.1
467.19205	100.0
468.19687	6.7
503.17191	18.2
503.25824	7.7
504.17764	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	503.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.1
61.98825	17.8
63.19167	2.5
71.01378	21.6
84.95154	2.2
85.02974	6.0
89.02442	27.2
101.02412	12.3
106.04225	8.0
107.05017	10.6
113.02450	8.0
119.03504	10.0
119.04993	4.9
121.06589	8.2
122.03720	3.6
123.28049	2.8
125.06082	8.1
128.03625	2.5
136.05318	2.6
137.06062	20.3
139.07588	3.7
143.03517	4.0
161.09712	8.5
162.10083	9.1
163.07652	8.2
163.10301	4.7
173.04417	3.1
177.09201	3.1
179.05586	10.7
186.12463	2.8
187.11237	13.2
191.05580	3.1
205.08701	22.7
206.08997	19.6
207.09161	16.9
208.09575	5.9
209.09702	3.6
215.10748	21.5
222.88084	2.5
227.10806	16.0
231.10251	33.1
243.10252	24.7
244.10736	3.2
245.11815	7.7
249.11232	6.5
257.11880	8.1
261.11301	4.4
269.11789	14.7
272.10541	6.4
287.12860	41.3
305.13950	100.0
306.14334	5.6
323.09692	7.2
393.15497	9.1
423.16513	10.4
434.15860	7.0
449.18076	23.7
467.19208	46.8
503.16766	61.5
503.24673	7.2
504.28073	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	503.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47722	0.8
59.01376	8.8
59.47910	0.7
61.98836	4.1
62.04673	0.8
62.40160	0.7
62.70208	0.7
69.39478	2.7
71.01384	4.5
73.02921	0.8
81.63838	0.7
85.02949	1.1
85.06513	0.8
89.02441	3.9
93.03430	1.4
96.41439	0.7
96.96004	2.5
99.04515	1.6
101.02415	2.6
105.76142	0.7
107.05032	2.4
113.02445	2.1
119.03453	0.9
119.05038	2.4
121.06564	3.9
125.06089	1.7
135.08131	1.1
139.07639	2.2
153.09196	1.3
159.30331	0.9
163.07631	4.5
163.42148	0.9
173.04561	0.9
179.05556	1.7
181.08673	1.0
187.11340	1.4
197.09634	1.8
209.09781	1.9
213.09166	1.8
215.10809	3.8
227.10834	4.8
231.10307	3.9
233.11844	2.2
241.12206	1.3
245.11816	1.0
251.10748	3.1
269.11786	9.2
287.12854	2.7
303.12326	1.3
305.13931	100.0
306.14224	3.6
361.15131	3.6
463.00143	0.9
467.13092	1.0
467.19244	14.0
468.19727	1.4
503.16672	20.9
504.17123	1.6
523.83795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84197	0.9
59.01381	25.4
61.98833	37.9
69.49277	5.0
71.01382	14.6
73.02936	3.4
82.95440	1.3
83.01396	2.6
85.02956	3.2
85.24562	1.1
85.86759	1.2
89.02449	12.4
95.01375	1.5
95.05009	1.1
101.02451	9.2
106.04282	1.4
107.05039	2.1
112.06022	0.9
113.00762	1.0
113.02433	7.0
116.92868	1.2
119.03497	4.5
119.05046	3.5
121.06608	6.7
123.04558	4.0
135.04527	1.3
135.08174	2.6
137.06099	4.6
137.09709	1.6
138.03181	1.5
139.07671	3.0
147.04533	1.2
149.06104	3.6
151.04021	1.1
152.04672	1.5
153.09169	2.5
161.02516	1.4
161.04565	2.4
163.07652	13.8
164.15976	1.2
165.05573	8.7
166.06349	34.8
167.07137	6.5
173.04518	1.1
179.05595	3.5
181.08705	22.7
187.11200	2.3
191.10783	20.2
192.11125	20.9
209.09703	1.1
213.09192	1.7
213.47142	1.1
225.12949	1.2
227.10872	2.9
231.10330	2.0
236.67242	1.2
241.12445	2.3
245.11823	1.7
251.05589	6.9
251.10730	2.4
254.09456	2.6
269.11786	7.7
272.10535	3.6
281.06668	2.1
285.07950	1.2
287.12888	53.2
288.13226	2.6
305.13971	3.2
308.06870	1.5
323.09454	7.3
361.15186	8.2
467.19202	100.0
468.19708	3.3
503.15811	6.4
503.24982	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	503.177
Annotation	Isoconiferinoside
Peak:m/z	Relative Intensity
50.88444	0.6
57.03455	3.0
59.01378	19.8
61.98840	3.1
63.17204	0.6
69.51162	3.0
71.01374	10.1
73.02967	1.5
76.91631	0.8
82.95420	1.0
85.02956	5.1
87.00880	1.0
88.98795	4.6
89.02441	11.4
90.50102	0.8
93.03467	0.9
93.91204	0.7
95.01424	0.8
96.96031	1.8
99.92580	0.8
101.02448	6.5
103.04011	28.8
108.02222	1.2
108.38375	0.7
113.02448	3.7
116.92900	2.4
118.90561	0.8
119.03513	5.0
121.02997	2.5
122.03730	1.8
123.04524	68.2
132.04594	2.6
134.06192	1.3
135.04546	2.1
137.02505	1.0
139.03998	1.5
139.86366	0.7
143.03508	0.9
144.66470	0.8
144.77869	0.7
149.04512	1.0
161.04605	1.7
166.02684	0.7
167.03497	21.5
167.04895	1.2
173.04671	0.9
175.07632	7.6
179.03461	1.4
179.05641	5.0
191.05542	0.9
193.08670	7.4
209.08206	1.0
210.09036	0.8
211.09741	6.3
221.14021	0.7
233.15437	0.8
237.07680	10.6
253.07208	1.5
254.07831	1.1
255.08730	91.5
256.09149	1.4
323.10168	1.0
341.12408	100.0
342.12650	2.9
413.21936	1.0
417.14044	4.5
459.18140	0.9
503.17609	66.5
504.18082	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	503.1798
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
59.01379	1.2
65.46384	0.2
69.03470	0.3
69.25762	1.0
71.01379	0.8
78.95901	3.6
79.95735	2.6
85.02925	0.3
87.00848	0.3
89.02422	0.4
96.96008	100.0
96.96902	6.0
98.21919	0.4
98.93885	0.2
101.02453	0.4
103.40062	0.2
113.02444	1.1
114.93427	0.2
116.92865	0.3
118.96671	0.4
119.05080	0.2
127.27444	0.2
129.31931	0.2
131.07198	0.2
135.04520	0.6
140.42531	0.2
143.03461	0.3
152.01170	1.5
155.85091	0.2
161.02406	0.3
164.04788	0.4
167.03458	1.6
179.03473	0.3
179.07138	0.6
191.05615	1.8
194.02271	0.2
197.04497	0.5
209.04410	0.3
221.04749	0.3
221.06653	0.2
227.09337	0.3
265.07590	0.4
389.10123	0.3
443.11987	0.6
503.14481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.51022	0.4
56.94015	0.4
59.01385	2.0
59.80826	0.3
61.98820	0.9
63.09017	0.4
66.00734	0.3
69.03433	0.7
70.81084	0.7
71.01372	2.6
83.01383	0.4
84.43934	0.4
85.02946	0.8
86.78968	0.3
89.02446	0.9
100.08628	0.3
101.02438	1.7
109.02955	0.4
113.02457	3.2
136.05295	9.7
139.03964	0.4
143.03496	0.3
150.82652	0.4
152.01155	0.6
161.04572	2.3
171.08128	0.7
177.03423	0.5
183.11755	0.6
191.05537	0.4
227.10765	100.0
228.11113	2.6
319.77075	0.4
323.09711	0.6
386.53171	0.4
389.16006	1.6
501.71558	0.4
503.15955	1.4
503.24951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.00572	1.3
59.01379	69.2
60.99767	0.8
61.80836	0.8
61.98824	2.0
64.46492	0.9
68.99783	0.9
69.03458	14.5
71.01379	42.4
71.42961	1.0
72.99297	1.0
73.02940	4.7
82.95403	4.0
83.01391	1.6
85.02951	10.8
87.00882	3.0
87.04510	0.9
88.98807	0.9
89.02443	50.4
92.24635	0.7
94.40840	0.8
95.01395	2.4
96.96001	0.8
97.02979	1.2
98.00105	0.9
99.00861	1.1
101.02448	24.1
113.02451	100.0
114.02789	1.2
116.92856	2.6
119.03497	19.2
125.02462	1.0
131.03477	3.9
135.04512	2.0
139.07639	1.3
143.03494	6.3
149.04552	2.0
161.02475	1.0
161.04559	13.2
166.21326	0.8
173.04538	0.9
179.03470	2.0
179.05605	24.0
191.05530	1.2
305.13922	1.4
389.21875	35.4
413.21732	1.3
432.52786	1.0
483.78317	1.0
503.25516	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08952	1.5
59.01379	100.0
63.56567	1.4
67.13033	1.3
69.07096	9.3
70.29216	1.4
70.29599	1.3
71.01370	8.8
73.02956	2.5
83.01389	1.5
85.02946	4.3
87.04488	2.2
89.02451	1.9
89.39226	1.2
99.00885	1.9
101.02451	3.4
101.04340	1.3
102.63571	1.6
113.02445	9.0
138.45645	1.2
139.04019	5.7
161.04536	4.1
225.10524	1.6
265.85614	1.5
333.71802	1.6
399.23853	12.4
417.25024	4.1
459.26910	1.7
528.46130	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	503.2499
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
52.22957	1.0
55.01858	2.5
57.03436	2.3
58.00580	1.4
59.01378	52.3
60.01723	1.2
61.98825	4.1
69.03454	12.0
71.01379	42.2
72.99300	1.0
73.02940	10.9
75.00880	1.0
82.95417	1.4
83.01393	5.9
85.02949	17.3
86.00089	0.9
87.00878	3.7
87.04530	1.0
88.98814	1.6
89.02444	23.9
93.03458	1.0
95.01376	2.8
95.04994	1.0
96.95979	4.6
99.00890	4.3
101.01791	1.7
101.02443	31.2
113.02448	72.9
114.02790	2.2
115.02934	0.9
116.92869	1.9
119.03503	11.5
119.04852	0.9
126.02789	1.0
127.77414	1.0
131.03465	1.6
135.04434	1.3
139.04007	5.7
143.03476	3.9
147.11809	1.6
149.04620	1.6
151.00381	1.7
154.03087	0.8
159.02968	3.1
161.04549	13.5
161.09711	1.2
172.96797	0.9
177.01860	1.0
179.03371	1.0
179.05635	7.4
187.11319	1.1
191.05629	2.4
227.16499	1.5
241.01430	1.5
299.01880	3.1
305.13959	7.0
341.02866	2.1
341.12225	1.0
389.21835	100.0
390.22171	4.2
467.25897	1.4
503.08420	3.6
503.15704	1.5
503.24716	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	503.3017
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
55.03132	0.5
57.03444	2.7
59.01379	9.9
61.98809	1.8
69.03460	6.8
71.01366	1.0
71.43600	0.6
81.03456	0.7
83.05019	0.8
85.02951	1.3
87.04502	1.2
93.03457	2.7
101.02459	1.1
103.08458	0.5
107.05019	3.1
107.87630	0.5
109.02923	0.6
109.06589	53.5
110.06957	0.8
113.02467	0.9
119.05045	0.8
125.09722	1.7
133.02953	1.8
135.04515	0.8
173.02628	0.6
173.04514	2.9
173.05949	0.8
180.81422	0.6
187.07706	0.7
187.09633	1.2
191.05583	2.9
200.04761	0.7
201.05411	0.6
203.07129	0.8
209.11852	3.7
232.05666	0.5
251.28224	0.6
268.62427	0.6
271.09985	0.6
289.21671	1.9
327.23325	1.7
329.24860	20.2
331.22888	0.9
343.29987	0.6
355.26410	1.1
357.27960	18.2
358.27924	0.8
365.24994	0.8
383.25897	11.0
384.26389	0.7
401.26953	52.6
402.27258	2.7
406.12592	0.9
445.25961	15.0
446.26822	0.8
459.31207	16.7
460.31384	1.2
471.26068	1.4
503.30136	100.0
504.30420	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	503.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05883	0.3
52.80822	0.4
56.13044	0.3
57.03442	1.0
58.00599	0.8
58.69377	0.3
59.01376	39.8
61.98825	2.9
69.09358	1.8
69.09760	0.7
71.01374	8.2
72.99298	1.1
75.58617	0.4
89.02440	20.8
91.04003	85.7
122.06553	0.4
133.79898	0.3
202.58957	0.3
256.75369	0.3
265.25287	0.9
277.21744	3.9
281.11664	0.3
291.26901	1.7
293.28479	100.0
294.28790	3.8
311.29501	1.4
337.27457	55.6
338.27756	2.4
355.28500	59.0
356.29013	2.8
411.31113	32.3
412.31558	1.1
429.32162	56.1
430.32370	3.2
445.23608	1.4
503.19479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10895	0.5
57.03465	0.6
59.01377	30.8
60.77160	0.5
61.98828	100.0
71.01376	5.5
73.02941	2.0
82.95410	1.4
85.02957	2.0
89.02449	3.3
91.52874	0.5
96.96007	1.2
99.04501	0.8
101.02438	1.8
113.02472	2.0
121.06573	1.1
123.04548	1.2
125.06100	0.6
130.08710	1.0
135.08218	0.8
139.07695	0.7
151.03983	0.7
151.07660	1.1
161.02516	1.1
161.04549	0.9
163.07713	1.1
167.03491	0.7
167.85207	0.7
173.04488	0.6
179.05606	0.8
182.08908	0.7
191.05659	0.6
196.32449	0.6
203.05626	1.8
215.10725	0.7
232.10457	0.9
233.41730	0.6
257.08218	1.6
269.11850	1.4
270.12006	1.6
287.12967	0.7
305.13947	10.3
306.14273	15.0
356.58408	0.6
393.58932	0.7
401.12534	0.8
419.13715	1.4
462.24524	0.6
467.19571	0.8
468.19409	3.6
486.26700	1.7
504.16782	4.9
504.28351	3.6
505.17139	0.9
505.27008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	41.0
69.12864	91.9
70.28929	16.2
97.86676	16.0
106.04237	14.5
162.83972	28.2
191.05539	22.4
257.11847	100.0
292.71902	15.0
327.65155	16.0
343.06146	18.4
367.80469	15.8
403.23459	16.2
452.06097	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	504.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96848	0.6
56.28087	0.7
59.01379	3.7
61.98842	3.2
66.88371	0.6
68.62666	0.6
68.77324	0.7
69.24020	3.7
71.01395	1.3
74.20778	0.6
85.02926	0.8
89.02426	1.3
98.61222	0.7
101.02447	1.1
113.02466	0.8
136.05301	10.8
146.86922	0.7
151.03999	0.9
151.07692	2.4
160.84225	11.3
161.02472	1.4
162.83990	1.0
173.04553	1.5
181.10222	5.0
191.05638	0.7
225.09210	2.0
257.11841	100.0
258.12274	2.4
461.18021	1.0
467.98346	1.5
504.16760	1.3
504.26550	1.7
505.17355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06450	1.8
59.01370	4.6
61.98822	5.8
69.97801	2.5
69.98137	4.4
71.01394	2.8
84.00906	2.2
98.21946	2.4
108.02167	23.4
108.89286	2.0
123.04527	22.5
124.01669	3.0
136.75127	1.9
151.02701	5.8
152.03545	2.4
162.83904	11.2
164.03539	19.0
165.04234	3.6
166.05086	11.8
180.06615	3.2
193.03760	6.5
194.04601	2.6
208.06145	21.3
213.05273	2.0
223.20694	5.2
275.16168	2.0
300.25278	3.6
344.24307	2.4
468.29645	100.0
469.29730	7.5
504.26840	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	504.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.8
61.98828	100.0
70.86688	1.5
78.95905	2.9
82.46548	0.9
181.41557	1.1
196.03780	1.5
203.59145	1.0
255.23289	2.0
279.23267	10.5
307.26477	7.3
324.46350	1.1
386.56927	1.0
387.17386	2.2
431.16528	15.7
447.25189	2.8
504.19662	5.2
504.31046	3.7
505.20929	1.7
505.29837	2.1
514.52771	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	504.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91849	0.1
59.01375	0.4
62.16206	0.1
64.16578	0.1
71.40978	0.1
71.87142	0.1
76.77360	0.1
78.95902	5.7
83.05007	0.1
89.86131	0.1
97.92845	0.1
107.93859	0.1
138.87958	0.1
145.57803	0.1
152.99585	0.8
168.04321	1.5
171.00455	0.1
224.06931	1.1
227.10648	0.1
242.07973	2.6
259.20676	0.1
261.22250	0.3
277.08487	0.1
277.21747	1.4
279.23282	100.0
280.23621	3.1
311.22400	0.1
393.77628	0.1
410.88199	0.1
423.19699	0.1
424.20007	0.3
431.88062	0.1
504.30960	11.0
505.25037	0.4
505.32175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49385	16.3
54.05665	13.4
59.01397	29.7
61.98825	34.2
69.89333	45.5
89.02450	20.9
91.03989	100.0
98.21850	14.9
99.84401	12.6
148.80894	14.4
156.68015	14.3
215.22458	13.0
219.46638	14.3
251.23808	56.6
295.22729	37.0
300.75668	16.0
313.23849	59.0
369.26749	66.9
369.30771	16.8
387.27536	99.1
497.45557	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0983
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.34631	0.2
59.01378	1.9
63.02389	0.5
65.00317	1.6
69.03438	0.3
69.85996	0.5
69.86366	0.2
71.01375	0.9
73.02953	0.3
75.35398	0.2
79.13941	0.2
81.44098	0.1
83.01372	0.9
85.02972	0.2
89.02437	0.4
91.01879	0.2
93.03449	0.3
95.01408	0.4
98.22629	0.2
99.92634	0.2
101.02451	0.4
102.02765	0.2
107.01393	3.0
108.02167	2.3
109.02948	2.0
113.02463	1.3
114.02766	0.6
115.02823	0.4
119.01377	0.4
119.03483	0.2
120.02161	0.3
121.02956	2.0
123.00900	0.2
124.01649	0.2
125.02448	0.3
135.00871	1.1
136.01694	0.2
137.02477	0.1
139.04042	0.2
147.00829	0.3
148.01674	1.9
149.02451	0.3
151.00368	11.7
152.01097	0.2
159.04465	0.4
161.02501	0.3
163.00389	2.8
163.01677	0.3
164.01186	1.0
165.01918	0.4
167.04936	0.2
169.01453	0.4
171.04472	0.3
173.06244	0.2
174.03178	0.4
178.99860	5.2
183.04497	0.6
185.06056	0.2
187.03992	0.6
190.05070	0.2
190.99858	0.5
192.00670	0.5
193.01495	0.2
198.03188	0.4
199.03966	0.9
201.02094	0.4
201.05562	0.4
203.03529	0.5
207.13895	0.3
208.14326	0.4
211.03940	1.6
215.03445	0.9
216.04395	0.9
226.02725	2.1
227.03484	3.4
228.04204	0.3
229.01381	0.3
229.05025	0.8
239.03496	0.3
243.02971	14.1
244.03572	0.8
245.04572	1.2
254.02203	2.9
255.02974	30.9
256.03500	1.1
266.02237	0.3
269.58618	0.2
270.07809	0.8
271.02469	66.6
272.02982	3.2
273.03912	1.1
283.02524	1.4
285.10083	0.6
299.01987	1.6
300.02734	100.0
301.03485	38.8
302.03809	1.0
315.71741	0.2
343.04486	0.4
344.11349	0.5
427.64090	0.2
445.07797	0.2
463.08878	3.2
505.09872	65.4
506.10184	3.1
506.16586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
54.29102	0.4
55.62173	0.3
59.01375	4.9
61.26175	0.4
61.98825	1.3
63.02396	0.8
65.00315	1.3
67.15046	0.3
69.12416	2.5
70.31943	0.3
71.01369	2.5
73.02946	0.8
79.88358	0.3
83.01382	1.0
84.95094	0.5
85.02938	0.8
87.00896	0.4
88.98791	0.4
89.02440	3.2
93.03448	0.7
96.96006	0.9
99.00860	0.8
101.02440	1.6
107.01381	3.3
108.02183	1.7
109.02975	1.4
110.57095	0.4
113.02437	1.1
116.92841	0.5
119.01405	0.4
119.03486	0.5
121.02957	1.7
125.02436	0.9
128.03459	0.5
130.08722	0.8
131.03612	0.4
133.85059	0.4
135.00848	0.8
140.07153	0.5
147.11206	0.4
148.01682	1.5
149.04544	1.3
151.00351	9.6
151.03929	0.6
161.02332	0.4
163.00339	2.7
164.01140	0.6
178.99837	5.7
183.04471	0.5
187.04045	0.6
188.04707	0.4
190.99773	0.4
191.05627	1.4
192.00552	0.6
199.04048	0.6
201.05580	0.5
203.03529	0.5
211.03990	1.0
215.03596	0.3
216.04291	0.6
226.02739	1.9
227.03473	2.8
229.01213	0.5
229.05058	1.0
243.02980	12.1
244.03465	0.7
245.04514	1.1
254.02206	1.8
255.02956	29.6
256.03464	1.1
271.02454	60.2
272.03003	3.0
273.04047	0.8
283.02530	0.9
299.02170	1.9
300.02725	100.0
301.03485	43.5
302.03848	1.6
311.68866	0.4
342.99850	0.4
343.04526	0.5
343.21384	0.7
426.44040	0.4
426.68396	0.4
460.29477	0.6
463.08737	4.0
504.28430	0.7
505.09857	83.2
505.26016	8.5
506.10065	4.2
506.26697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0985
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.02551	0.4
54.70874	0.3
57.03425	0.5
59.01382	6.8
61.98823	0.4
65.00313	0.9
69.03457	1.1
70.24821	0.8
71.01379	3.1
73.02929	1.0
78.91887	1.0
83.01394	1.1
84.81017	0.3
85.02942	1.0
87.00881	0.5
88.02130	0.4
89.02440	3.0
90.29642	0.4
93.03442	0.7
99.03903	0.4
99.04510	0.4
101.02434	2.6
107.01397	1.7
108.02188	1.0
109.02956	0.5
111.00887	0.5
113.02452	6.1
113.82050	0.4
114.02787	1.4
115.02930	0.5
118.98081	1.0
119.03505	1.1
121.02980	1.0
124.01611	0.4
135.00844	1.0
139.03960	0.6
148.01677	1.8
151.00363	6.4
161.04523	1.0
163.00378	1.6
163.04007	0.4
164.01147	0.5
173.04594	0.4
174.80554	0.4
178.99817	3.7
179.05576	0.7
190.99872	0.4
191.05649	1.9
193.05174	0.5
198.03264	0.4
199.04016	0.7
211.04117	1.0
215.03456	0.5
216.04247	0.6
226.02753	1.5
227.03529	3.2
243.02965	10.6
244.03645	0.6
254.02141	2.4
255.02965	24.1
256.03461	0.9
271.02463	60.6
272.03040	3.5
273.03897	0.5
283.02438	0.9
299.01926	1.0
300.02731	100.0
301.03464	24.9
321.17313	0.4
389.21628	1.1
390.22168	3.4
391.22351	1.4
445.07767	8.1
446.07932	0.5
463.08484	1.0
499.41855	0.4
505.09872	67.8
505.26077	6.9
506.10208	3.2
506.27188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61166	0.7
61.98820	1.9
63.63053	0.8
65.11604	0.8
69.29536	4.3
71.91125	0.7
93.03451	4.8
97.84766	0.8
98.21867	1.6
121.02956	100.0
122.03286	1.5
136.01622	1.1
137.02437	11.7
162.06773	0.9
162.83969	1.4
173.50415	0.7
181.06578	3.5
197.06079	4.1
207.04495	1.2
225.05605	2.6
313.07278	5.8
357.06107	0.9
385.61789	0.9
417.09808	9.9
505.11234	9.4
505.31708	0.9
506.11993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53000	0.5
70.30012	1.1
72.00906	3.5
74.02455	2.1
87.27757	0.5
99.97196	0.5
103.00470	0.5
108.97199	2.2
116.05058	7.6
130.06612	50.2
131.06921	1.1
141.98201	3.0
142.06613	2.7
154.97728	4.1
157.07666	1.4
159.09286	3.3
187.98743	2.3
191.05586	0.5
200.98265	0.8
203.08221	4.6
213.03427	17.9
222.03447	1.9
223.01874	0.6
241.03011	1.7
246.04462	2.6
255.04437	2.7
259.03964	16.4
263.03833	1.8
268.03986	10.3
300.97440	1.5
301.05035	41.9
302.05557	0.8
314.04568	13.1
316.06134	1.1
347.04276	1.3
349.01086	0.6
367.04446	0.6
372.10315	0.6
399.11343	0.8
401.13135	1.1
427.11121	0.7
445.11880	100.0
446.12247	4.6
505.14063	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	505.1714
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
51.02384	0.3
52.69956	0.3
52.83313	0.3
57.03446	0.5
58.00568	0.3
58.04392	0.3
59.01377	7.1
61.98836	2.4
64.13096	0.3
69.03465	0.5
71.01378	3.3
71.41972	0.3
73.02937	0.5
81.03452	12.9
82.95413	1.1
83.01421	0.6
85.02950	1.8
87.00882	0.8
87.04495	0.5
87.19231	0.4
89.02453	1.4
93.03449	2.7
95.05029	0.4
96.96072	0.3
99.92574	0.5
101.02429	1.6
106.07875	0.3
108.02164	0.4
109.02990	1.6
110.70282	0.3
113.02451	3.6
116.07170	0.9
116.92841	0.9
119.03477	0.5
121.02972	0.4
123.04522	88.8
124.04864	1.7
135.04520	2.2
137.02432	0.8
139.04010	3.1
147.04468	0.4
149.02475	0.4
151.00381	0.8
153.05621	0.7
161.04593	1.0
165.67462	0.3
173.04503	1.5
179.03419	0.5
183.08138	0.4
185.06009	0.7
191.05621	3.6
191.10771	1.0
192.06023	0.5
197.60231	0.3
200.10733	0.3
209.11873	1.5
229.08679	100.0
230.08994	3.2
255.02922	0.9
271.02420	2.0
300.02695	3.9
301.03467	1.8
343.21249	0.4
391.14023	15.8
391.19055	0.7
391.23367	1.0
392.14337	0.7
445.28326	0.6
504.26938	0.6
504.33417	0.6
504.71024	0.5
505.09702	2.9
505.18616	1.1
505.26361	2.6
505.33902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72035	0.9
70.24967	2.0
73.02946	20.8
81.03462	1.5
83.46728	0.9
85.02953	6.3
93.03447	0.8
95.05023	1.0
96.96001	1.1
97.02931	3.3
98.29642	0.8
106.22308	0.8
109.02944	8.8
111.04546	4.2
121.02951	1.0
123.04532	6.0
125.02461	6.0
127.07663	1.2
129.05519	1.2
130.08725	2.6
135.04529	1.3
137.02417	4.0
139.04027	1.3
145.02995	0.9
149.02275	1.1
151.03983	2.8
161.06079	2.1
164.01033	1.1
164.58633	0.8
165.01823	1.7
171.10251	9.4
172.09850	2.1
175.03865	1.0
179.03462	2.2
187.03952	2.8
187.58531	0.8
188.04738	1.4
191.05617	2.8
203.07045	4.8
205.05032	2.7
215.09238	100.0
216.09610	1.5
219.70570	0.8
221.08086	1.5
245.08200	5.8
247.80914	0.8
289.07175	31.0
477.28876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15443	1.5
52.83285	1.6
55.01871	1.8
56.70057	1.6
57.03445	2.5
59.01376	100.0
67.76837	1.6
69.03490	1.8
69.30598	7.6
71.01377	67.7
72.97529	3.1
73.02946	17.4
75.00879	7.5
83.01382	4.9
85.02939	15.8
85.77944	1.5
87.00870	8.3
89.02441	83.9
95.01374	4.5
99.00883	3.7
99.92604	2.1
101.02441	68.0
107.03529	1.7
108.53461	1.7
113.02441	29.1
115.04012	2.8
116.92857	35.6
116.93605	3.2
117.01938	2.8
117.92892	7.3
118.92693	6.5
119.03506	33.8
125.02435	4.5
131.03499	7.5
143.03452	9.6
149.04533	3.1
161.04547	30.0
179.05602	97.0
191.05620	6.1
221.06628	22.2
259.52762	1.9
261.03284	1.9
445.17084	43.3
483.12296	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	505.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93739	0.6
59.01382	3.6
61.98832	0.9
69.05911	4.2
71.01392	0.8
80.15084	0.7
82.95399	0.8
93.03448	2.0
96.91619	0.8
98.21784	1.3
120.01306	0.8
121.02953	35.0
149.06091	3.0
150.06873	9.6
163.04019	0.9
166.49815	0.7
173.04633	0.7
191.05717	0.9
199.57153	0.8
210.06781	0.7
210.10431	1.2
225.09383	0.7
230.15431	0.6
241.12341	9.7
253.08676	1.2
255.10216	1.1
268.10910	1.9
271.09698	2.3
283.13458	1.9
286.12106	35.1
287.12518	0.9
300.13461	0.9
301.14432	100.0
302.14893	4.2
336.97220	0.6
424.61331	0.7
445.18671	1.3
451.17676	0.9
463.19449	1.4
469.18719	1.0
487.17862	1.9
505.20227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.63294	0.6
57.03436	1.0
59.01376	40.6
60.78326	0.6
61.98833	1.5
67.01878	0.9
69.03472	0.7
69.09852	3.7
71.01382	12.0
72.99319	0.9
73.02943	5.7
74.02452	1.5
82.95448	1.3
83.01385	1.5
84.95151	2.1
85.02953	5.4
87.00883	0.9
89.02449	3.9
93.03445	3.6
94.03796	0.7
95.01398	0.9
99.00844	1.1
101.02433	9.4
113.02440	4.8
116.07167	5.4
117.07557	1.0
119.03477	1.6
133.02972	1.6
135.04491	0.7
137.02423	1.4
140.88828	0.7
143.03436	0.7
155.03511	0.6
161.04553	3.3
163.03978	0.7
173.04530	4.2
173.05827	0.6
177.01985	0.6
191.05598	6.5
197.11880	0.6
209.11818	100.0
210.12144	2.8
229.08806	0.8
229.80710	0.6
235.08214	3.1
253.09264	11.3
283.13272	1.0
287.33804	0.6
342.26239	0.9
343.26761	1.7
425.91550	0.6
445.27487	0.7
504.31830	5.1
505.30869	43.3
506.30643	1.3
534.41858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
57.03451	2.3
57.53573	1.3
59.01379	58.2
61.98829	33.5
68.42979	1.2
69.09451	8.6
71.01381	39.7
72.53159	1.8
72.99299	1.8
73.02948	10.4
75.00865	2.7
82.95410	1.6
83.01382	5.4
85.02953	16.6
87.00879	5.8
89.02436	26.9
93.03451	2.0
95.01381	3.1
97.03007	1.7
98.21908	3.1
99.00883	5.9
101.02443	29.3
108.02108	1.7
109.02921	2.7
110.73663	1.3
111.00890	4.4
113.02470	12.8
119.03506	4.0
121.02961	9.6
125.02444	2.8
129.01979	1.6
131.03514	14.6
133.02965	2.5
135.04524	1.6
137.02460	1.3
143.03481	2.0
147.08203	1.8
149.04578	11.4
159.03137	1.6
161.02451	3.7
161.04536	8.8
173.04538	1.7
189.09151	1.7
191.05638	3.9
217.02403	1.4
233.06609	1.9
257.08246	2.0
257.11975	1.9
269.84750	1.3
301.10852	3.7
301.14435	3.2
313.16605	17.5
371.09808	4.3
445.20752	100.0
446.21161	3.7
505.13641	5.4
505.26569	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12864	0.7
54.40685	0.8
59.01365	2.0
66.88989	0.6
70.96978	0.8
78.95900	30.0
85.10229	0.7
87.73731	0.7
96.96947	1.4
135.90282	0.7
143.90842	0.8
152.99588	20.4
158.23964	0.7
163.02306	0.7
166.21013	0.8
168.04271	2.5
171.00606	2.0
224.06947	5.0
225.07239	1.4
227.03304	3.3
242.08008	1.5
243.67456	0.8
245.04308	2.3
277.21713	100.0
278.22018	4.3
279.23276	26.5
280.23615	57.7
314.53207	0.7
504.30856	1.2
505.25571	30.9
505.31546	23.5
506.25998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.257
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01376	1.7
60.32564	0.5
61.98854	0.8
64.04331	0.4
71.11001	0.8
78.95899	11.7
95.58509	0.5
96.96962	1.1
98.21929	0.7
152.99596	15.0
170.17694	0.5
171.00638	1.6
227.03226	2.4
233.22772	0.5
241.08653	1.3
245.04344	1.7
259.20697	0.8
277.21710	100.0
278.19333	0.7
278.21960	3.7
279.23318	6.0
280.23639	11.4
436.14648	0.6
505.25677	35.0
506.25812	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	505.2655
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01870	1.2
55.58475	0.4
57.03435	2.1
58.00597	0.5
59.01376	37.2
61.98819	1.7
65.10802	0.4
69.03457	1.2
71.01373	14.8
71.05013	0.9
72.99296	0.4
73.02930	3.4
75.00843	0.6
78.06818	0.4
81.49524	0.4
82.95393	0.6
83.01389	1.4
83.05026	0.8
85.02943	4.1
85.06603	0.5
85.32926	0.4
87.00867	1.8
87.04514	5.4
87.72079	0.5
89.02443	10.2
93.03432	1.3
95.01373	1.2
95.05013	1.0
96.95993	0.8
97.06606	0.7
99.00897	0.5
99.04501	0.5
101.02435	10.3
107.28802	0.5
111.04498	0.5
113.02440	6.5
116.92836	0.5
119.03507	3.6
123.04530	0.8
135.04512	0.8
137.02438	0.8
139.04010	6.1
141.21930	0.4
152.67113	0.4
153.12952	0.7
161.04541	0.6
166.02618	0.4
173.04485	1.0
181.05116	0.6
191.05605	2.1
196.89417	0.5
205.15964	1.0
207.13957	0.6
209.15370	1.1
216.57384	0.5
221.15491	1.6
225.14948	1.8
229.08548	0.5
267.15863	2.3
300.02707	1.1
301.03622	0.5
325.20114	4.0
343.07385	0.5
343.21222	16.4
372.95340	0.6
389.21198	0.5
391.19189	2.8
487.25479	1.4
505.26517	100.0
506.26703	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	505.3014
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.56153	2.7
53.01052	2.6
59.01365	11.9
61.98823	8.5
71.01379	16.2
75.00877	15.1
84.86050	2.7
85.02949	18.4
87.00874	6.2
89.02426	4.6
95.01401	5.8
96.96017	2.6
99.00871	8.8
113.02440	25.4
128.15166	3.5
149.72816	2.9
157.04710	2.8
175.02516	3.4
205.43254	2.7
249.06050	6.2
255.23280	62.3
267.07089	5.2
412.90256	2.8
505.30191	100.0
506.30807	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	505.3168
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
57.02073	0.6
57.03208	0.7
57.03447	8.6
59.01358	1.1
69.03446	1.7
69.15105	1.9
69.15517	2.3
78.88039	0.6
83.05016	0.8
93.06233	0.6
98.22642	1.1
107.05045	3.2
109.06585	47.9
147.45485	0.7
149.53383	0.6
172.27550	0.7
230.06062	0.7
246.44635	0.7
313.25296	7.9
327.26825	1.7
327.89755	0.7
341.28485	5.2
355.29858	2.4
357.28009	1.9
367.26370	2.2
375.19794	0.7
389.30481	9.5
443.31619	4.6
461.32690	36.2
462.32883	1.2
505.31683	100.0
505.75165	0.7
506.31961	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	506.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98826	100.0
65.79899	0.3
69.28168	1.7
71.01390	0.5
78.95889	0.3
96.00831	0.4
96.95993	0.8
96.96967	0.4
98.22707	0.3
100.93393	0.4
101.02422	0.5
108.02156	3.1
113.02457	0.9
115.92079	0.5
123.04527	2.5
125.02460	0.7
126.99566	0.3
128.03563	0.7
135.04654	0.3
137.02434	0.4
152.01143	7.1
158.04559	0.6
167.03485	27.7
168.03876	0.8
176.05702	0.5
176.77890	0.3
191.05617	0.7
217.05058	0.4
243.03099	0.4
329.08771	6.4
408.23926	0.8
463.21893	1.0
471.12631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.4
61.98824	1.7
69.03456	2.2
69.43721	5.1
71.01374	2.8
71.62453	1.2
73.02942	1.3
78.95896	4.5
83.93066	1.9
84.93857	6.1
85.02940	3.3
85.50521	1.1
87.00848	2.3
89.02428	1.8
96.95992	4.4
96.96955	5.4
97.02943	5.7
98.95486	2.3
99.92586	74.8
100.92670	2.5
100.93362	56.6
100.94049	2.8
113.02483	1.7
115.55516	1.3
115.92076	100.0
116.92204	3.5
116.92859	73.4
117.92876	2.2
124.97013	3.1
140.96478	1.3
142.94394	4.5
151.04062	1.7
153.05582	2.2
154.98042	3.9
156.95924	1.4
168.95956	3.6
170.93900	5.4
174.93396	3.4
182.97527	4.8
185.96214	2.9
191.05576	1.5
195.06723	1.4
197.96329	2.5
215.97261	1.5
404.21234	1.8
406.22345	1.7
408.23798	4.6
424.23425	3.2
458.12665	3.0
460.14139	2.0
463.21832	2.4
470.12808	2.8
488.13791	70.7
489.14078	4.1
502.11774	3.2
506.14822	81.9
507.15131	4.4
520.12860	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	506.1663
Annotation	CHEBI:69650
Peak:m/z	Relative Intensity
50.79099	1.5
52.97960	1.3
59.01379	11.0
61.98800	1.9
71.01385	7.6
73.02946	2.8
74.02482	1.7
85.02942	2.4
86.10921	1.5
89.02430	3.6
95.01380	19.3
95.97597	1.5
96.95996	1.4
101.02430	4.9
107.01382	2.0
113.02421	6.0
123.00912	7.9
127.13277	1.6
138.01945	2.3
138.03224	5.5
147.04509	13.2
147.27321	1.7
151.00284	2.0
153.01862	2.0
153.05557	6.4
157.55798	1.5
164.07106	3.5
166.01468	7.0
178.01407	2.0
181.03828	12.4
190.05086	26.4
191.05560	2.4
192.03035	1.8
193.03746	8.1
196.06183	10.0
208.06133	6.7
209.11806	6.5
227.12907	1.6
242.08249	13.5
243.02817	2.0
244.03333	4.6
253.09309	2.2
255.02921	5.4
256.03333	7.7
267.09006	1.7
270.07697	100.0
271.02438	11.5
271.08124	2.2
272.02786	20.1
273.03271	1.7
277.37650	1.9
285.10059	75.8
286.10449	3.3
300.02789	17.7
300.12411	64.5
301.03146	31.8
301.12827	1.8
302.03842	11.4
344.11389	69.9
386.12485	1.8
463.21573	2.2
464.09097	2.9
505.26566	3.7
506.09946	35.5
506.16611	84.3
506.28101	5.3
507.16736	3.8
507.28299	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	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01375	41.0
62.00479	0.7
70.56940	1.5
71.01376	27.6
72.00903	12.5
80.11567	0.7
83.01362	1.2
83.83618	0.9
85.02942	2.6
87.00877	0.9
89.02438	35.6
90.86674	0.8
95.01399	1.4
101.02436	14.5
103.05544	2.0
103.41353	0.7
112.47882	0.8
113.02443	13.4
113.77841	0.8
119.03478	10.3
131.03467	1.5
142.44374	0.8
143.03519	3.9
143.04430	0.8
147.04515	41.2
149.04482	1.1
161.04572	4.3
163.02635	0.7
164.07156	79.0
165.07462	1.8
179.05611	21.7
196.99327	0.8
216.98717	0.8
307.57169	0.8
308.19171	0.8
341.10849	100.0
342.11203	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	506.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98833	10.9
69.18627	19.1
70.87132	3.3
71.01395	8.3
73.02950	11.7
75.00862	4.1
83.01382	4.4
93.03473	6.4
101.02433	5.6
109.02917	5.2
112.01667	4.1
113.02462	6.8
120.01310	3.9
121.02970	10.1
122.03216	4.4
127.04012	13.6
137.02435	6.2
139.00386	3.7
139.04041	6.5
173.04547	14.8
191.05569	8.0
257.11880	4.0
258.12247	4.7
286.12054	5.2
287.12497	5.4
301.14392	5.3
302.14816	11.8
308.16638	5.5
346.75821	3.9
370.16602	8.2
381.14926	4.4
384.18210	25.2
402.19302	16.6
414.15628	5.2
420.16486	4.0
428.17184	22.6
446.18094	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.15345	0.8
57.03444	1.3
59.01122	1.3
59.01384	18.0
71.01382	24.7
73.02946	11.4
83.01390	3.1
85.02952	10.8
87.00861	0.8
89.02447	8.5
95.01378	2.0
97.02992	1.5
98.21861	1.4
99.00898	4.8
99.01437	0.8
101.02440	22.5
102.28508	0.8
113.02444	10.4
121.07135	0.8
125.02435	1.8
131.03473	1.0
159.03004	2.1
161.04549	14.8
161.69463	0.8
166.26369	0.7
209.49432	0.8
233.06601	1.5
331.17612	9.7
333.20319	0.8
463.21838	100.0
464.21951	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	506.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97914	1.1
53.16884	1.0
55.01865	1.3
55.08757	1.2
59.01374	22.3
61.98828	7.6
69.03455	2.1
69.37630	4.6
69.38024	2.1
70.13512	1.0
71.01379	10.2
73.02950	4.3
83.05016	3.4
85.02947	2.7
87.00909	1.6
89.02442	11.8
91.45238	1.1
92.94183	1.0
95.05006	1.1
99.00880	2.2
101.02442	6.6
102.33981	1.2
113.02473	7.0
116.16983	1.3
116.92867	2.6
119.03489	3.0
125.06109	1.2
131.03516	1.5
144.41219	1.3
149.04523	5.0
161.04544	2.2
163.11252	3.2
165.12845	2.1
191.05588	2.9
209.11823	100.0
210.12122	1.8
227.12897	17.9
253.09315	16.5
388.24103	1.2
462.30557	1.6
463.22076	3.3
491.16794	1.1
506.27972	5.7
507.28104	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	506.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29548	0.5
57.03447	0.7
59.01378	100.0
61.98837	1.4
71.01383	5.6
71.42177	0.7
73.02940	3.1
76.60352	0.6
83.01429	0.7
85.02961	3.3
87.00896	1.3
89.02456	2.2
95.01403	0.8
97.02959	0.7
97.69074	0.6
99.00893	0.9
99.92622	1.1
101.02427	4.6
103.59325	0.6
108.93803	0.6
113.02426	2.9
115.92078	0.9
116.92879	1.0
120.70470	0.6
148.04906	0.6
161.04605	2.7
331.17654	2.5
404.20853	0.8
420.18356	0.7
431.47375	0.7
443.29556	0.8
446.21884	1.2
463.21796	19.9
463.28110	1.2
464.22308	0.8
507.21848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54964	0.9
58.02968	3.3
59.01371	3.6
59.09160	0.9
61.98829	20.1
69.24934	5.7
72.49884	1.0
85.31944	1.0
87.05632	14.4
96.37764	1.0
112.04060	1.2
113.06108	1.3
120.01258	2.3
125.02464	1.5
129.06703	29.0
129.10367	1.0
130.08736	38.1
137.02507	1.6
140.07166	1.8
143.11884	1.5
144.07774	4.1
168.00638	1.8
168.09019	2.7
169.09828	1.1
175.04062	1.1
181.09854	3.2
186.08870	2.8
199.18091	7.5
206.08304	1.0
221.16446	1.2
225.16142	1.7
233.92203	1.1
238.15559	1.6
239.14862	1.2
243.17091	5.8
256.20355	6.9
282.14554	1.0
300.19275	1.8
300.29572	1.1
303.12393	1.1
327.24048	5.2
369.25049	1.3
413.23996	26.1
425.24179	2.8
434.03918	1.2
443.25101	100.0
444.25296	3.4
506.17700	1.8
506.27045	2.5
507.11432	3.3
507.28125	2.6
509.50348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29371	0.2
59.01378	1.3
60.34702	0.2
61.61666	0.2
61.98829	100.0
66.12160	0.2
69.47476	0.3
69.47849	0.3
71.01384	0.9
73.02937	0.6
75.00876	0.4
79.18132	0.2
82.57272	0.2
82.95441	0.2
84.44616	0.2
84.57851	0.2
85.02946	0.5
85.46880	0.2
87.00905	0.3
89.02451	0.3
93.03427	0.2
93.69321	0.2
96.21370	0.2
99.00912	0.2
113.02440	0.6
121.02946	1.4
122.03288	0.3
123.04527	0.2
133.02979	0.4
144.07869	0.3
162.83942	0.3
168.07816	0.2
171.15475	0.2
173.04599	0.7
186.08900	0.4
195.04878	0.5
214.09607	0.4
244.17078	0.6
258.15054	0.3
288.16119	1.7
371.09903	0.5
372.10211	0.8
379.93552	0.2
413.24301	0.5
443.25293	0.7
456.54367	0.3
498.00229	0.2
506.13684	2.1
506.27423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.19202	1.3
78.95915	0.4
84.89289	0.2
96.96068	0.3
98.21915	0.4
216.53316	0.2
279.23349	0.7
280.23633	0.7
309.28052	0.4
388.90680	0.3
448.25641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52020	0.8
58.88067	0.8
61.98827	100.0
69.44234	3.2
78.95853	0.8
89.02139	0.7
96.95992	1.5
162.83914	5.1
204.47014	0.8
256.23761	1.0
281.24936	4.1
340.37643	0.8
506.08710	2.1
507.22275	1.0
525.75024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87648	0.8
59.01392	1.0
64.28060	0.7
69.46704	2.6
69.47114	1.7
75.00861	1.7
87.00874	5.9
94.99031	0.8
98.21804	0.8
99.00883	1.3
99.04503	8.5
105.01956	3.3
115.04009	6.6
143.03503	20.2
151.63007	0.8
155.01973	3.1
161.04579	1.4
163.04994	0.9
165.04039	19.3
165.05423	1.2
181.07257	4.9
185.03044	2.3
191.05655	2.8
201.02544	5.9
209.04836	1.6
209.06682	2.7
219.05122	1.3
228.85396	0.9
237.06195	11.7
238.06407	0.8
253.05717	2.5
255.05295	2.3
265.05640	2.3
281.05170	21.0
306.34827	0.9
309.01505	1.5
309.04736	22.2
327.05734	100.0
328.05862	5.9
329.05603	3.2
345.06772	7.4
435.01996	1.3
507.04327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.8
60.08583	0.6
61.98828	100.0
67.76340	0.7
71.01380	2.1
73.02959	0.9
83.05077	0.7
85.02940	0.8
87.00856	1.0
89.02434	0.9
93.03455	1.7
101.02449	0.8
105.28618	0.6
113.02460	0.9
138.85475	0.6
173.04573	1.7
191.05672	1.1
192.06081	0.7
211.09596	0.6
285.20718	3.6
345.22726	4.8
441.59293	0.7
446.60135	0.7
447.26123	2.9
449.14743	1.1
507.28098	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	507.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
59.01377	83.6
61.75087	2.6
61.98805	4.9
69.03458	6.9
69.45454	9.7
71.01379	77.3
73.02940	8.9
75.00822	3.1
81.03442	3.2
83.01361	3.6
85.02951	11.2
86.17025	2.7
89.02447	82.3
90.13958	2.7
95.01378	4.0
97.02950	14.7
99.00883	17.0
101.02433	14.6
109.04590	2.4
113.02429	10.9
115.03980	8.1
116.92852	7.2
117.96841	2.7
123.00873	16.4
125.02435	47.7
128.03583	3.1
131.03561	12.0
138.03220	21.0
143.03546	2.8
149.04530	11.8
153.05545	7.9
161.04552	2.6
173.04549	2.5
189.70815	2.4
191.05600	11.5
217.04948	2.2
233.06641	35.5
259.09653	3.2
267.09943	3.7
270.99713	2.7
293.08783	100.0
329.88315	3.0
345.13266	5.9
362.20450	2.6
429.46378	2.8
447.15213	15.2
455.23727	3.0
462.74689	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	507.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	77.0
61.98809	4.2
69.03454	7.9
70.29816	1.0
71.01379	68.9
72.99298	1.6
73.02943	12.4
75.00854	1.9
81.03448	7.3
83.01382	4.6
85.02958	10.0
87.00843	1.9
89.02444	82.5
93.03411	1.6
94.98067	4.5
95.01362	1.7
97.02940	10.8
99.00880	14.7
99.04526	1.7
101.02443	18.7
108.02146	1.6
109.02937	1.2
111.00849	1.8
111.14791	1.1
113.02456	10.3
115.04024	6.7
116.92828	2.6
119.03474	2.8
120.01218	1.5
122.03734	23.7
125.02446	43.9
127.04066	1.5
131.03499	12.3
135.04541	1.6
137.02356	2.3
143.03445	3.9
149.04544	17.6
155.03491	1.3
161.02417	2.1
161.04555	2.8
162.83922	2.8
165.05559	6.6
167.07140	1.3
169.01117	1.4
169.10149	2.4
171.08138	10.4
173.04556	1.4
191.05617	15.7
213.09198	100.0
214.09509	3.2
233.06660	35.2
285.11288	2.7
287.09137	2.6
288.10095	1.9
293.08789	53.0
302.11502	1.8
303.12402	5.5
315.18109	1.4
327.16040	1.1
329.12274	2.7
345.17044	2.7
414.00507	1.4
447.22028	5.9
507.11481	2.4
507.18619	44.3
507.27463	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
61.98828	8.8
64.82451	0.3
69.28133	1.6
71.01384	1.1
73.02943	0.9
74.02481	0.5
85.02946	0.6
96.26647	0.3
99.05640	0.7
101.02425	0.8
108.02164	0.3
109.02995	0.4
113.02444	0.6
118.89929	0.9
119.89974	0.8
120.99667	0.3
121.02944	3.2
122.03710	2.0
123.03611	0.4
123.04527	8.4
123.76736	0.4
135.04514	0.7
136.05301	1.2
137.02434	0.9
138.03223	1.6
138.99660	0.4
139.04024	1.2
150.03180	0.7
151.04008	24.4
152.04788	20.9
153.05145	0.3
155.03442	0.3
161.02406	0.5
161.04547	0.7
164.23730	0.3
165.05605	1.0
166.02702	2.4
167.03471	0.3
174.99283	0.3
189.07036	0.9
191.05516	0.5
241.96295	0.3
270.08829	0.4
273.07742	1.0
273.11359	0.5
287.12769	0.5
288.10034	9.9
301.10825	1.8
302.11353	0.5
303.12360	100.0
304.12711	3.5
315.17914	0.7
447.16489	0.8
447.22208	0.5
463.25446	0.4
465.17587	0.7
507.17969	6.7
508.19250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18127	1.4
59.01378	100.0
61.98546	1.8
61.98832	26.4
69.03459	2.6
69.71454	5.3
71.01385	26.4
73.02945	71.0
75.00832	1.4
83.01384	15.3
85.02953	4.7
87.29092	1.3
88.74516	1.2
89.02444	7.6
93.03474	3.0
95.56438	1.6
100.37206	1.3
101.02441	48.2
102.78133	1.3
113.02461	13.4
114.62593	1.8
119.03477	4.9
125.02430	1.5
131.03456	4.1
143.03497	3.4
149.04538	4.8
154.18089	1.5
161.04558	11.6
173.04567	2.2
191.05579	7.9
205.08679	2.0
232.82657	1.5
285.11243	3.5
286.11691	1.7
322.74774	1.7
410.65250	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	507.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
61.98827	100.0
67.48758	0.6
69.27911	2.9
75.40348	0.6
98.22626	1.3
100.02088	0.5
101.02470	0.6
120.25585	0.5
137.02461	1.4
162.03212	1.1
167.03598	0.6
173.04488	0.6
177.05629	1.2
186.20456	0.5
191.05632	0.6
201.06984	0.5
204.27077	0.5
235.63773	0.6
275.94720	0.5
507.28543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60734	0.8
59.01387	1.2
61.98829	100.0
68.08463	1.0
68.77216	0.8
69.38481	2.6
71.01369	0.9
92.83954	0.8
143.41983	0.8
145.88795	0.9
203.69073	1.0
225.11388	1.2
276.61935	0.9
346.91412	0.8
356.56934	0.8
430.29303	0.8
507.16592	0.8
507.29214	1.2
527.56329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2233
Annotation	Difluprednate
Peak:m/z	Relative Intensity
59.01377	42.3
61.98825	2.9
69.31120	8.0
71.01378	23.1
77.11998	1.5
82.95408	4.0
85.02945	3.1
87.00850	2.7
89.02444	26.6
93.03450	1.6
101.02470	9.7
102.15495	1.6
113.02448	8.8
119.03498	11.8
120.84337	1.7
141.45927	1.6
143.03574	1.8
153.07224	1.6
161.04544	3.0
163.11163	1.6
179.05598	13.6
191.05585	9.3
195.67630	1.8
213.12845	24.0
253.15872	2.6
255.17558	4.0
257.19122	8.4
281.15506	2.5
283.17038	14.1
301.18121	6.1
327.16019	48.0
328.16327	3.0
341.17453	2.1
345.17050	87.1
346.17416	4.9
387.18146	12.3
458.02536	1.7
507.22357	100.0
508.22900	2.3
520.73492	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03436	2.1
59.01378	93.5
61.98812	7.2
69.03418	2.2
71.01379	65.1
72.99324	1.7
73.02933	11.1
77.96515	1.4
83.01386	5.7
85.02959	13.9
87.00893	3.0
88.98796	3.9
89.02439	34.1
93.03446	2.9
95.01364	4.0
97.02927	1.9
99.00873	2.4
101.02442	30.5
111.00856	2.4
113.02454	16.7
119.03504	5.7
123.04540	6.8
124.04884	1.5
125.02455	3.9
125.05077	1.4
130.93834	1.2
131.03490	11.2
135.04523	2.9
139.03975	2.1
143.03456	2.4
149.04575	7.9
158.03735	1.4
161.04532	10.0
173.04645	2.4
173.05983	2.3
174.06866	1.2
179.05563	1.5
186.06882	1.6
187.07661	1.9
191.05568	8.1
200.04716	1.7
201.05597	5.1
201.09132	1.6
202.06334	5.9
203.07002	1.5
229.08685	18.1
230.09402	12.0
231.09369	2.7
255.13762	2.1
276.78299	1.4
280.29550	1.5
293.08966	2.4
299.16486	3.2
315.18103	11.1
327.15967	2.3
345.22861	1.5
352.12695	1.4
409.15051	3.7
410.15735	9.0
435.20181	4.9
447.22357	100.0
448.22589	5.1
479.22729	6.2
489.21146	2.4
507.21805	14.2
507.28448	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	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01377	100.0
60.01685	0.8
61.98811	2.7
66.70768	0.9
69.34066	3.7
71.01389	7.3
73.02938	5.7
83.01373	1.6
85.02949	2.9
87.00866	1.6
89.02468	4.6
96.95989	2.1
99.92543	1.0
100.93384	1.4
101.02428	7.5
113.02431	6.8
113.06145	0.8
115.03988	0.9
116.92846	3.7
117.20441	1.0
118.98075	0.9
119.03508	1.7
120.01208	2.1
121.02941	1.0
123.04428	1.3
128.90182	0.9
135.04527	2.1
139.03966	2.1
139.07597	1.1
143.03400	1.2
149.04465	1.0
149.09741	6.3
153.09203	2.3
158.46040	0.8
159.08142	1.0
161.04532	2.7
167.10748	11.4
191.05573	0.9
225.14940	3.4
231.06631	2.2
243.15990	1.1
253.08713	0.9
283.09900	1.3
306.04227	0.8
387.20258	8.7
420.18530	6.2
447.22339	14.1
497.03305	0.9
507.07938	1.1
507.21240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01377	100.0
60.01685	0.8
61.98811	2.7
66.70768	0.9
69.34066	3.7
71.01389	7.3
73.02938	5.7
83.01373	1.6
85.02949	2.9
87.00866	1.6
89.02468	4.6
96.95989	2.1
99.92543	1.0
100.93384	1.4
101.02428	7.5
113.02431	6.8
113.06145	0.8
115.03988	0.9
116.92846	3.7
117.20441	1.0
118.98075	0.9
119.03508	1.7
120.01208	2.1
121.02941	1.0
123.04428	1.3
128.90182	0.9
135.04527	2.1
139.03966	2.1
139.07597	1.1
143.03400	1.2
149.04465	1.0
149.09741	6.3
153.09203	2.3
158.46040	0.8
159.08142	1.0
161.04532	2.7
167.10748	11.4
191.05573	0.9
225.14940	3.4
231.06631	2.2
243.15990	1.1
253.08713	0.9
283.09900	1.3
306.04227	0.8
387.20258	8.7
420.18530	6.2
447.22339	14.1
497.03305	0.9
507.07938	1.1
507.21240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98203	1.6
71.05019	4.4
85.02954	2.2
87.00864	5.6
87.04520	5.7
89.62199	1.4
96.96014	2.6
105.63072	1.6
113.02397	2.6
115.04005	44.7
120.11332	1.5
126.50558	1.5
130.08760	1.7
131.03540	7.5
159.02992	100.0
171.01642	1.8
175.02489	3.7
191.05603	10.1
199.00941	4.5
200.01114	3.4
201.00583	2.8
201.38725	1.8
270.51193	1.9
350.99747	2.4
375.06131	3.4
393.06540	2.0
419.80969	1.8
457.31119	1.8
470.03043	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
69.13261	1.5
74.41668	0.4
78.95904	10.1
89.37254	0.4
96.96959	1.0
145.54025	0.4
152.99586	16.8
171.00633	1.3
227.03284	2.3
245.04372	1.8
279.23279	100.0
280.23621	3.1
281.24762	2.5
282.25223	5.2
308.74216	0.3
389.92108	0.4
433.23566	0.7
507.27231	32.8
508.27655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43311	0.4
59.01379	0.5
62.63282	0.4
62.88267	0.4
69.41289	1.8
77.01919	0.3
78.95898	8.9
96.96961	0.8
115.64783	0.4
119.77199	0.3
122.30301	0.4
122.31166	0.4
152.99576	13.8
153.00772	0.8
171.00638	1.4
227.03281	2.4
245.04335	2.3
279.23279	100.0
280.23590	3.5
282.25244	1.0
507.27203	32.6
508.27411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27523	0.3
59.01373	0.8
61.98825	0.8
63.18917	0.3
69.99731	0.3
70.46126	0.6
70.96238	0.3
73.74271	0.3
78.95900	10.3
79.21195	0.3
96.81420	0.3
96.96970	0.8
98.22625	0.3
109.80670	0.3
113.70695	0.3
138.32077	0.3
152.99576	16.5
171.00606	1.4
194.48985	0.3
203.32910	0.3
227.03264	2.0
245.04272	1.4
261.22141	0.6
279.23264	100.0
280.23657	3.4
281.24817	1.9
282.25122	3.5
358.34631	0.3
384.02603	0.4
507.27222	34.9
508.27716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2809
Annotation	glas#20
Peak:m/z	Relative Intensity
55.01871	0.9
57.03431	1.1
58.00579	0.8
59.01376	27.1
61.98807	0.5
64.46763	0.3
69.03452	0.5
69.24348	1.3
69.24741	0.8
71.01377	12.3
71.05000	0.4
72.99304	0.6
73.02951	4.0
83.01382	1.5
83.05045	0.5
85.02934	3.4
87.00878	1.2
88.98807	0.3
89.02441	8.5
89.03014	0.5
91.21248	0.3
93.03456	0.8
95.01369	1.0
95.05047	0.7
97.06593	1.3
99.00903	0.3
100.34433	0.4
101.02441	7.3
109.06580	0.5
111.08153	0.5
113.02444	4.7
113.06080	0.7
113.09708	0.8
115.04018	0.4
116.92861	0.6
119.03500	3.4
119.05023	0.7
123.08140	1.8
125.02509	0.4
125.06050	0.5
125.09722	2.5
131.03479	0.3
132.71271	0.4
135.08212	0.6
137.02449	1.9
137.09703	0.5
139.04019	3.4
139.07684	0.5
141.09201	0.7
143.03432	0.4
143.10756	0.4
145.08699	0.7
153.09196	5.9
153.12831	0.5
155.10815	1.1
159.02969	0.4
161.04613	0.8
171.10243	0.3
179.03593	0.4
179.05449	0.4
191.05592	0.6
201.04037	1.4
201.11330	0.6
207.10306	0.4
217.10728	1.7
284.03278	0.8
299.05557	1.4
301.06519	0.5
327.21735	1.9
341.23373	0.7
345.22800	23.6
346.22928	0.8
357.15598	0.6
387.23929	0.4
447.26212	0.8
465.27118	0.8
507.28107	100.0
508.28534	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	508.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	2.6
59.01376	100.0
61.98824	12.0
68.01419	7.4
71.01382	31.7
73.02939	6.7
85.02951	5.9
87.04536	3.3
89.02458	15.9
93.03462	9.7
101.02440	15.2
110.02487	8.8
113.02432	12.1
119.03521	3.9
139.04018	5.8
161.04541	7.0
165.91219	3.2
172.05235	2.9
178.37509	2.9
187.04092	3.3
187.07619	10.2
192.01920	2.6
200.04619	3.5
201.05574	12.2
201.09256	4.4
202.06190	15.1
203.05399	3.7
213.99590	2.6
223.06361	6.4
227.07204	8.1
229.08669	23.3
230.06700	18.4
230.09338	28.8
231.09830	9.8
239.07152	5.1
303.59448	2.7
368.11389	3.0
409.15256	6.4
410.15643	13.6
411.16095	7.6
430.51270	2.8
446.09549	2.9
466.53369	2.7
507.35135	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	508.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	2.6
59.01376	100.0
61.98824	12.0
68.01419	7.4
71.01382	31.7
73.02939	6.7
85.02951	5.9
87.04536	3.3
89.02458	15.9
93.03462	9.7
101.02440	15.2
110.02487	8.8
113.02432	12.1
119.03521	3.9
139.04018	5.8
161.04541	7.0
165.91219	3.2
172.05235	2.9
178.37509	2.9
187.04092	3.3
187.07619	10.2
192.01920	2.6
200.04619	3.5
201.05574	12.2
201.09256	4.4
202.06190	15.1
203.05399	3.7
213.99590	2.6
223.06361	6.4
227.07204	8.1
229.08669	23.3
230.06700	18.4
230.09338	28.8
231.09830	9.8
239.07152	5.1
303.59448	2.7
368.11389	3.0
409.15256	6.4
410.15643	13.6
411.16095	7.6
430.51270	2.8
446.09549	2.9
466.53369	2.7
507.35135	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	508.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
61.51398	0.3
61.75601	0.3
61.98828	100.0
62.51638	0.2
69.03463	0.3
71.01379	1.7
73.02957	0.7
74.03303	0.3
78.88018	0.3
85.02951	0.5
88.98820	0.3
89.02427	0.9
101.02445	1.2
102.02747	0.3
113.02444	1.9
115.69789	0.3
119.03535	0.3
139.04034	0.7
140.04266	0.4
143.03526	0.4
161.04599	1.0
197.11726	0.3
241.08627	0.5
242.09134	0.8
259.86325	0.3
285.68222	0.3
299.40491	0.3
331.17767	1.0
445.21066	0.6
508.28745	1.6
509.29855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13376	0.4
57.69750	0.4
58.98525	0.3
59.01378	100.0
61.80483	0.4
61.98821	0.8
68.28783	0.4
69.52608	0.8
69.53002	1.2
74.29512	0.3
87.00905	0.4
98.21993	0.7
101.04277	0.4
126.09924	0.4
195.31013	0.4
214.16829	0.4
301.23126	0.4
301.28085	0.4
304.71808	0.4
448.23672	0.9
472.05237	0.4
508.28732	1.7
530.30957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77689	0.5
58.59097	0.5
59.01377	100.0
59.62076	0.5
60.01727	0.7
61.98829	6.2
62.95738	0.5
69.03453	0.5
71.01361	3.3
72.01752	0.5
73.02946	1.8
75.00850	0.7
76.91541	0.5
82.94964	0.4
85.02972	1.7
88.98807	0.6
89.02460	3.0
90.93388	0.5
93.03455	0.6
99.14340	0.5
101.02415	3.1
110.17326	0.5
113.02481	1.8
116.92890	1.6
119.03594	0.8
131.03557	0.6
139.04053	1.1
169.12389	2.4
191.05637	1.0
197.11755	3.6
253.09367	0.6
264.63605	0.5
289.29196	0.5
449.27414	0.6
465.23123	0.8
477.19931	3.2
508.28479	9.2
509.22604	2.7
509.29016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14914	0.3
54.82224	0.3
57.03435	0.5
59.01375	7.1
61.98805	0.5
67.01894	0.8
67.02875	0.3
67.41340	0.3
69.03445	0.3
69.44430	1.1
69.93134	0.3
70.02966	0.9
71.01009	0.5
71.01376	5.4
72.47417	0.3
72.99281	0.4
73.02950	1.8
74.02464	1.1
75.00867	0.6
81.03472	0.4
83.05012	0.7
85.02947	11.4
85.90319	0.3
87.00880	2.9
89.02445	2.2
89.87315	0.4
93.03452	5.5
96.96006	0.4
99.00878	0.8
99.04524	0.5
100.00408	4.0
101.02451	2.5
109.02965	0.9
111.04503	1.3
113.02453	2.0
115.02300	0.3
115.03986	0.4
119.03548	0.6
120.01220	0.9
121.02956	0.5
123.00764	0.4
125.02414	0.5
127.03989	2.6
133.01175	0.6
141.01685	0.4
143.03490	0.4
149.00719	0.4
149.04567	0.7
155.03546	0.7
156.04391	0.4
161.00658	0.7
161.04530	1.1
163.00955	2.1
163.02209	0.4
164.01761	0.4
170.02469	2.8
171.02927	0.7
173.04559	4.5
174.00200	0.9
176.01741	1.1
183.03261	2.3
188.01755	1.9
190.03322	2.6
191.00732	2.5
191.05603	100.0
192.01234	1.1
192.05978	1.2
194.12810	0.3
201.99664	0.9
202.03389	1.2
204.04865	1.0
215.99355	0.5
216.01257	8.9
218.02782	6.5
229.04239	0.3
230.02832	2.2
239.04448	0.9
245.01579	0.6
245.03908	2.7
247.05453	1.7
256.58572	0.3
257.96829	0.3
260.00247	1.4
273.03384	16.9
274.03735	0.4
289.03006	0.6
291.04388	1.2
299.01270	0.4
317.02362	20.7
318.02576	0.7
331.17584	0.7
335.03268	1.7
336.18182	1.3
434.05457	0.8
449.20151	0.5
463.21912	8.5
508.28366	0.4
509.08688	10.4
509.20117	0.5
509.29962	0.5
510.08575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68737	1.6
59.01379	6.2
60.12321	1.9
69.03441	1.6
69.28442	8.8
71.01376	2.4
79.95744	2.0
85.02951	1.6
96.69523	2.0
96.96014	69.2
97.02954	4.7
98.22622	3.8
109.02953	46.3
111.00905	4.9
113.02496	3.0
116.05012	3.1
121.02903	2.1
135.04533	100.0
136.04887	2.5
143.05040	3.1
148.05223	3.6
149.06088	52.1
150.06482	2.0
159.04504	2.7
161.02460	3.1
161.06076	28.4
163.03998	2.0
163.07669	3.3
165.05553	2.6
167.03529	3.3
171.04474	10.6
173.06052	2.8
174.03218	6.6
175.03940	3.7
177.05573	23.0
179.03497	8.0
186.99222	4.2
189.05568	87.1
191.03587	3.5
191.07138	3.8
203.08331	13.7
207.06622	82.8
208.06969	2.6
219.06621	5.4
221.04529	32.1
224.27284	1.7
231.06624	9.1
235.06143	7.7
239.05606	5.6
249.07642	5.7
251.05602	6.6
297.09491	2.6
297.12329	2.4
311.07770	35.2
311.11087	3.3
335.06506	3.0
369.11966	12.6
383.09927	8.2
395.09027	3.2
397.11462	2.3
401.10858	13.2
411.12976	4.5
413.10837	75.4
415.12613	4.5
443.11920	14.0
449.09857	5.9
455.11914	4.9
473.12991	61.9
474.13116	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	509.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19016	0.7
59.01379	5.7
61.98828	1.5
69.26765	4.6
71.01385	1.8
73.02954	0.9
82.22649	0.8
84.95112	0.9
88.98817	0.7
89.02429	2.1
89.43632	0.7
89.54945	0.7
96.96011	10.6
99.00878	1.0
99.92577	1.6
100.93362	1.6
101.02477	1.2
109.02945	10.2
111.00867	4.7
115.78979	0.8
115.92052	1.4
116.92860	3.1
121.02920	1.2
135.04515	17.1
137.06155	1.2
139.03999	1.2
147.04521	2.4
149.02367	1.3
149.05017	1.1
149.06068	10.0
159.04515	3.6
162.03261	8.6
163.03979	4.6
164.04797	1.8
165.05533	4.3
172.06964	0.8
175.03992	1.4
177.05560	87.3
178.05853	1.9
179.03442	1.7
181.05095	1.3
186.99165	1.0
189.05499	3.4
190.02646	0.8
191.03590	1.4
201.05499	1.0
203.03467	1.0
207.06599	4.2
219.03052	1.3
219.06598	2.3
221.04538	48.6
222.04854	1.8
229.00298	1.0
231.06592	1.5
239.05595	2.3
249.07599	2.5
267.08743	12.4
305.05524	1.0
311.07703	100.0
312.07986	3.5
316.33780	0.8
349.55502	0.9
383.09833	19.9
395.08527	1.1
413.11160	1.6
449.09381	1.8
455.12039	1.0
473.12994	41.2
474.13254	1.6
509.11572	4.1
538.60095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.1
59.58537	0.8
60.23245	0.9
60.65629	0.8
61.98826	2.4
69.03432	1.6
69.09420	1.1
69.09812	4.3
71.01370	8.5
73.02940	2.4
79.01907	0.9
81.03449	1.7
83.01395	3.1
85.02931	4.8
87.00872	1.7
89.02453	2.0
93.03477	1.0
95.01384	1.7
97.02963	0.9
101.02427	4.5
101.19135	0.9
106.00596	1.1
107.01383	8.8
108.02164	35.9
109.02965	4.2
111.00879	1.4
113.02427	6.4
121.02953	14.4
123.00888	12.8
123.04516	17.0
123.05365	1.6
124.01660	4.7
125.02480	1.9
127.00381	1.6
136.98888	1.4
137.02440	14.0
138.03209	6.8
139.00372	1.4
139.04016	9.7
140.01190	1.0
141.01947	1.7
151.00385	3.7
151.04068	1.5
152.01138	70.7
153.01915	0.9
153.05565	13.7
155.03534	3.1
166.02696	19.4
166.03993	1.2
166.99820	6.9
167.03481	100.0
168.00653	5.0
168.03888	1.8
169.01453	2.3
177.02014	0.9
180.31584	1.0
181.01421	5.6
181.05058	17.7
181.06531	1.5
182.02202	14.1
183.02966	34.4
190.03404	1.0
191.05620	10.7
195.03157	1.0
196.03801	2.0
197.04526	32.7
210.01834	0.9
216.01237	1.3
225.04103	1.6
228.14780	0.9
239.05687	3.5
248.07687	0.9
255.05035	1.2
273.03329	1.9
287.09155	0.9
299.07632	1.0
311.04169	1.4
312.05038	2.0
317.02573	1.6
326.06357	5.4
327.07175	75.3
328.07480	1.9
329.23334	1.0
341.08731	44.6
342.09137	1.1
345.87302	0.8
347.24533	1.8
359.09763	10.7
363.12854	1.3
449.27380	2.3
473.28329	1.2
509.13156	57.0
509.29559	7.5
510.13391	1.6
516.22589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58939	0.3
59.01383	1.3
61.98830	100.0
65.80354	0.3
69.59862	0.7
69.60255	0.6
71.01374	0.4
73.02937	0.6
78.57945	0.3
78.91885	0.5
91.27621	0.3
93.03476	0.8
101.02511	0.4
113.25631	0.3
121.29677	0.3
133.03058	0.5
137.02487	0.7
139.04057	0.5
152.20244	0.4
161.02417	0.8
173.04613	0.6
191.05696	0.5
220.66420	0.4
260.94724	0.4
298.39505	0.4
509.20438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10588	0.4
54.12941	0.4
59.01371	3.3
59.01605	0.3
59.72510	0.4
60.36926	0.4
61.98829	100.0
66.85622	0.5
69.38943	2.1
78.95912	0.7
93.03503	0.4
97.47969	0.4
98.21882	1.0
108.65668	0.4
111.04482	0.5
173.04538	0.5
272.10474	0.6
283.32086	0.4
287.12881	0.9
509.18542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2021
Annotation	Hypochoeroside G
Peak:m/z	Relative Intensity
54.43626	0.4
55.01865	2.1
57.03432	1.5
58.00591	0.6
59.01376	29.2
59.28283	0.4
60.05642	0.4
61.98807	1.3
71.01378	22.6
72.99294	0.8
73.02941	10.3
83.01375	3.0
85.02946	9.1
87.00867	1.5
89.02437	10.4
89.02994	0.5
95.01369	2.0
97.02952	0.8
97.18774	0.5
98.22606	1.1
99.00863	2.1
101.02438	16.7
113.02443	9.1
119.03498	5.0
125.02463	0.6
130.59630	0.5
138.21753	0.5
143.03453	1.0
155.08638	1.4
157.10188	0.5
159.02960	1.5
161.04550	7.6
173.09689	1.9
179.05666	0.6
183.08237	1.1
183.11771	1.6
185.13391	4.4
193.10199	0.9
199.11218	1.2
199.14932	0.9
211.11273	9.7
213.12714	1.0
217.86508	0.5
221.13364	2.9
223.11533	0.8
223.14899	16.4
227.07176	0.6
237.12801	4.6
239.14395	3.8
241.15967	25.5
242.16235	0.6
255.10228	7.7
255.13770	0.9
256.10596	0.6
257.15445	0.6
267.13831	4.9
268.14343	0.6
285.15054	3.3
303.16043	1.2
311.12857	1.3
323.72574	0.5
329.13907	18.8
330.14313	0.6
347.14838	0.7
403.21286	2.1
414.37036	0.5
421.22208	1.6
465.14664	0.6
465.21271	12.0
499.98660	0.5
509.20221	100.0
510.20764	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04226	0.3
59.01381	13.8
59.25544	0.3
60.87850	0.4
61.98826	7.9
69.24093	1.3
69.24494	0.9
71.01372	4.1
73.02946	6.4
81.03428	0.4
83.01376	1.4
85.02947	1.2
89.02431	1.5
93.03463	0.8
98.22550	0.7
101.02435	5.7
106.04239	0.6
109.02914	0.4
113.02478	1.9
121.02949	5.2
123.04501	0.5
131.03523	0.4
135.04559	0.9
136.05295	6.1
139.03897	0.5
143.03531	0.4
149.04541	0.8
155.03679	0.5
161.04565	2.9
173.04593	0.5
191.05630	1.3
196.08955	3.5
211.07689	0.5
213.09044	0.5
229.08621	0.5
231.10233	0.6
240.07928	0.5
241.08661	0.7
243.10167	0.6
257.08218	0.8
272.10538	11.1
273.10989	0.7
287.12894	100.0
288.13153	1.9
379.30716	0.4
449.18671	1.1
509.20209	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	509.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
59.01376	3.8
61.98829	0.9
65.03953	1.2
70.92062	1.0
80.02662	2.7
81.03461	4.9
83.01356	0.9
83.05032	9.2
84.02140	2.6
93.03447	3.2
95.05027	1.8
97.02959	4.5
97.06574	1.6
107.05037	1.0
109.02912	1.4
109.06600	18.1
110.03725	2.2
111.04522	4.1
121.02963	1.1
121.06590	2.0
122.03753	0.9
123.08160	1.9
125.09743	4.4
135.08151	3.4
136.05252	1.3
142.02693	0.9
151.07712	0.9
161.09686	1.7
163.11287	17.5
165.12846	3.8
171.10275	12.8
179.10884	1.2
181.12338	3.3
185.11852	7.9
187.09651	1.0
189.09169	2.4
191.10745	1.9
191.14424	0.9
201.11368	1.3
203.14607	0.9
205.12326	0.9
207.10255	42.4
208.10503	1.1
209.11830	100.0
210.12138	2.4
217.12329	1.7
219.10268	1.0
219.13596	0.8
221.11783	1.9
223.13364	2.3
225.11314	24.1
227.12881	13.1
231.10182	2.8
235.13292	2.6
237.11105	0.9
245.11752	1.9
247.13283	2.1
249.11261	2.5
263.12793	2.9
265.14337	1.0
281.13971	4.1
293.13892	1.0
299.15088	5.9
305.13837	1.7
310.02942	1.3
311.15039	1.2
319.15448	1.8
323.14746	1.4
337.16605	1.9
338.61121	0.8
355.22806	1.0
365.40921	0.8
373.19852	1.2
373.23892	2.1
381.20248	1.0
399.21799	4.0
417.22775	2.6
447.23657	1.5
463.26080	1.1
465.24689	4.0
473.19293	1.2
473.25455	17.4
491.26492	14.6
509.27420	26.9
510.27679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16460	0.4
70.84140	0.6
72.47182	0.4
73.64063	0.4
78.95905	10.0
99.92594	1.6
99.96676	0.4
100.92612	0.6
115.92115	0.5
116.92860	0.6
144.94710	0.6
152.99586	14.4
159.59531	0.4
171.00604	0.8
178.88452	0.5
187.25270	0.4
196.89507	2.9
227.03275	2.8
245.04329	0.9
281.24854	100.0
282.25143	2.8
382.44730	0.4
435.25174	0.7
436.17618	0.7
497.43784	0.5
509.28827	35.1
510.29413	1.8
517.17047	0.5
526.44824	0.4
527.05475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94748	0.7
69.42786	2.5
69.77299	0.8
77.41768	0.7
78.95903	19.7
96.96968	1.1
142.95070	0.7
152.99586	33.2
171.00618	1.6
213.75237	0.8
227.03250	4.9
245.04201	1.5
281.24860	100.0
282.25244	3.3
358.62900	0.8
450.35223	0.8
479.30032	0.8
509.28833	92.3
510.29263	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	509.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67760	1.1
50.95606	1.0
55.52740	1.1
61.98817	2.8
66.92515	1.1
67.23184	1.1
69.19833	4.2
69.20243	2.1
75.74612	1.2
78.95903	15.7
92.24638	1.0
101.14986	1.1
132.54114	1.1
149.51376	1.0
152.99529	4.0
168.04282	2.5
205.45839	1.2
224.06906	7.7
227.20149	100.0
228.20456	2.8
452.27802	78.0
453.28043	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.6
61.98825	100.0
66.81467	0.6
69.21553	4.2
71.01376	5.5
72.54192	0.6
73.02941	2.4
85.02966	2.1
89.02443	1.6
95.01392	1.0
96.96026	0.9
97.02958	0.8
101.02457	3.1
113.02460	3.1
115.03976	1.0
119.03505	0.8
120.99652	0.9
125.02460	0.9
142.80167	0.7
146.06154	1.3
151.00366	1.2
159.02985	1.0
161.04579	1.2
191.05675	2.2
213.65302	0.8
227.03481	24.5
228.03868	0.8
255.02975	33.3
256.03671	5.1
257.04593	0.8
276.32480	0.6
284.03247	46.5
285.04001	11.8
306.23181	0.8
323.44577	0.7
327.19016	0.7
347.24625	1.0
349.20166	7.9
447.09280	80.9
448.09879	3.2
449.27667	7.9
450.27899	3.9
467.28775	1.7
468.28842	1.3
509.29623	4.2
510.23077	0.9
510.30249	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	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.2
60.01708	1.2
61.16611	1.0
61.98828	88.7
69.75041	4.0
71.01387	8.1
73.02927	2.9
77.10648	1.0
83.01398	1.3
85.02925	5.5
87.00874	1.5
89.02422	2.7
95.01353	1.4
98.21964	1.2
101.02449	5.0
109.02885	1.4
113.02460	5.9
114.51585	1.2
125.02408	1.7
139.03998	2.0
151.00227	1.1
153.01967	1.2
161.04504	2.1
175.04056	1.2
191.05540	1.3
209.11852	9.6
210.12140	3.1
227.03493	38.4
227.12743	1.5
235.06184	1.9
255.02962	50.0
256.03622	5.5
257.04321	1.2
284.03244	57.8
285.03979	18.3
305.23370	1.6
306.23862	1.3
327.05109	1.4
343.68958	1.2
347.24429	1.5
447.09299	100.0
448.09592	5.2
449.27734	8.4
450.27811	4.9
467.28516	2.5
468.28616	1.7
478.19949	1.7
509.29596	4.3
510.22470	1.9
510.29953	2.1
512.75897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38124	0.4
59.01373	1.7
61.98831	9.0
63.02404	0.6
65.00332	0.5
68.65925	0.5
69.76254	0.3
98.21806	0.8
101.02446	0.6
107.01405	1.2
108.02181	0.9
123.04482	0.6
130.55408	0.4
133.02936	2.3
149.02446	1.1
151.00359	3.2
152.01120	1.2
166.02811	0.4
167.03528	1.0
168.03902	0.7
175.04022	0.9
177.01884	0.5
183.03053	0.6
199.03966	1.2
213.05452	0.4
215.03554	0.4
217.05173	0.5
223.79860	0.4
227.03564	0.6
235.93646	0.4
239.03500	0.5
241.04997	0.5
256.03809	2.2
284.03262	48.5
285.04037	90.4
286.04456	3.0
327.04849	0.6
328.07538	0.8
342.08923	0.5
441.65222	0.4
447.09305	100.0
448.09576	5.2
451.32889	0.5
467.28189	0.5
510.13309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54266	1.8
51.54540	2.1
55.01884	3.4
59.01373	5.6
67.01892	5.4
68.78803	2.2
69.03073	3.9
69.03453	79.3
70.86764	2.1
71.01379	17.6
71.43031	2.5
85.02950	10.2
111.00875	27.1
112.01667	100.0
113.02447	64.9
113.06107	11.1
129.34995	2.3
144.04591	5.1
146.06116	53.1
157.01428	83.0
157.05046	25.6
160.85576	2.2
190.05087	8.6
191.05586	12.9
192.05978	5.3
195.82860	2.2
202.01830	8.3
232.33165	2.2
234.00819	3.7
244.02876	4.9
246.00822	9.2
247.98785	3.3
256.02911	2.6
262.03906	2.8
274.03943	3.1
288.01920	17.0
300.01953	7.3
352.10294	13.2
389.79016	2.6
390.05081	48.8
450.07144	12.5
466.10699	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	510.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98910	0.5
59.00943	0.6
59.01378	38.9
61.98829	100.0
63.19955	0.5
71.01385	2.5
73.02964	0.7
75.47088	0.5
83.01391	0.6
84.95102	0.5
85.02956	1.4
98.21763	0.7
101.02438	1.5
101.85821	0.6
108.60245	0.5
113.02464	1.5
139.04048	0.7
141.98291	0.5
161.04543	0.8
172.57881	0.6
221.08231	1.3
299.36664	0.5
361.13031	2.1
403.14172	0.6
452.55341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.87696	0.3
70.20331	0.4
70.20663	0.3
95.31367	0.3
95.93665	0.3
96.95990	1.3
123.14738	0.3
127.03987	0.5
133.25493	0.3
140.98897	0.3
147.99306	0.3
181.96613	0.3
200.32312	0.3
269.25977	0.3
280.01300	0.2
302.66095	0.3
510.14297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62619	0.2
59.01382	0.4
61.98828	100.0
64.83473	0.2
69.22598	1.2
82.90543	0.3
88.47530	0.2
102.49359	0.3
191.05630	3.0
247.20050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98827	100.0
69.26583	1.3
71.01366	0.6
74.56757	0.2
85.02974	0.3
89.02438	0.6
98.22687	0.4
101.02418	0.4
126.13550	0.2
134.82181	0.2
189.69388	0.2
191.05588	2.6
200.18364	0.2
214.03157	0.2
296.46051	0.2
349.20294	0.9
433.74649	0.3
450.23569	0.5
469.13016	0.3
511.25851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17370	0.3
59.01375	4.3
60.01715	0.4
61.98822	7.8
70.65973	0.5
71.01366	0.5
85.02957	0.4
89.02481	0.4
91.05540	0.4
92.91432	0.3
94.35285	0.3
101.02465	0.5
107.05013	2.7
112.95223	0.3
132.04559	0.4
133.02956	1.8
134.03738	3.2
135.04514	100.0
136.04840	1.4
137.02431	0.4
146.06056	0.5
148.05333	0.7
160.04066	0.8
161.02440	5.2
166.62248	0.3
175.07498	0.3
176.03575	0.3
178.05113	0.4
186.88673	0.3
190.04991	0.5
191.05551	1.0
197.12701	0.3
203.26160	0.3
206.52817	0.4
218.08101	0.4
227.03493	2.3
247.14436	0.5
255.02937	3.2
256.03754	0.4
284.03287	3.9
285.03934	1.0
289.15497	2.5
306.18216	1.2
331.16611	14.9
332.16156	3.7
348.13547	0.4
348.19244	11.1
374.17160	48.2
375.17377	1.7
447.09235	6.5
448.09497	0.3
450.27899	1.0
469.04947	0.3
510.22400	51.6
511.22684	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	510.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97114	1.8
57.03430	3.2
59.01377	100.0
60.01713	2.3
61.46067	1.9
61.98826	39.7
65.56075	1.8
69.62012	7.4
69.62370	3.0
72.90019	1.8
74.69255	1.7
85.02926	2.8
89.02414	3.1
101.02427	2.9
104.58523	2.0
112.01653	3.1
112.04035	2.1
113.02486	2.2
127.04018	9.2
134.58289	2.0
191.05602	3.8
251.09128	2.6
265.49570	2.1
276.67056	1.8
300.02692	4.8
309.62265	1.9
314.04315	4.8
366.20102	2.5
447.09222	13.4
450.21298	45.1
510.23032	4.6
510.30136	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	510.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98334	1.5
61.98832	5.2
78.95905	18.5
105.77603	1.6
107.47272	1.8
133.62234	2.0
140.01167	4.6
164.86984	1.4
196.03856	9.7
214.05043	2.3
214.44029	1.9
255.23274	100.0
256.23541	2.6
286.28668	1.9
452.27786	59.3
453.27997	3.4
510.23541	26.3
511.23837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
60.09819	1.7
67.01894	1.8
67.24203	1.4
69.03455	37.6
69.68512	3.4
69.68899	3.0
71.01390	2.8
85.02956	5.7
98.21946	3.1
104.64087	1.6
111.00883	7.8
112.01659	31.7
113.02440	21.5
157.01424	28.3
160.78424	1.5
189.24574	1.4
191.05609	100.0
214.09938	1.5
341.10922	2.1
353.08768	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	511.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.5
57.96993	4.6
59.01382	11.9
69.03429	6.1
69.65696	10.2
69.66084	10.5
81.59422	4.8
85.02953	5.0
87.31306	4.4
97.57913	4.0
131.05095	6.1
133.06590	100.0
149.25920	4.4
159.04504	13.6
177.05560	11.6
191.05574	10.5
203.03439	7.1
217.39618	3.8
221.04523	76.1
250.48076	4.3
511.23657	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60332	0.8
59.01376	6.0
61.98829	12.7
66.35863	0.7
66.48615	0.8
69.34254	1.2
69.34647	2.1
70.52626	0.7
71.01373	3.1
75.28387	0.7
77.39027	0.6
85.02952	0.9
89.02457	3.9
95.04983	0.9
98.22560	1.5
101.02416	2.0
113.02428	0.9
119.03497	1.2
136.05295	11.8
145.05159	0.7
150.79010	0.8
161.04494	0.8
179.05649	1.5
197.59409	0.9
227.10782	100.0
228.11128	3.4
256.44965	0.8
270.09680	0.8
431.17160	2.7
451.19385	1.1
483.65115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
67.01905	2.0
69.03453	26.2
71.01389	3.8
85.02948	7.4
91.51881	1.1
93.03483	1.8
101.49181	1.1
111.00887	6.3
112.01665	27.7
113.02454	19.7
113.06086	68.7
127.04048	1.3
157.01443	22.1
157.05055	100.0
158.05396	2.2
173.04489	1.5
184.97746	1.6
191.05603	90.6
192.06004	2.3
213.61398	1.1
234.99181	1.4
289.85236	1.3
296.08719	1.1
353.08743	19.2
354.48114	1.2
377.75073	1.2
451.05524	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	511.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
60.99302	0.4
61.98844	1.6
63.15387	0.3
65.03968	0.3
69.03449	1.0
69.12105	1.6
71.01379	2.3
72.47432	0.3
73.02943	0.9
82.81656	0.3
85.02943	0.7
88.98802	3.3
89.02433	0.6
92.02620	1.5
93.03454	36.2
94.03797	0.4
96.95980	0.7
97.02948	0.4
101.02454	1.7
106.04233	0.5
108.02183	1.6
113.02439	3.7
116.92826	0.4
119.03519	0.3
120.02168	1.5
121.02942	0.7
128.28113	0.3
130.04211	0.5
131.05048	0.4
132.05791	0.3
135.04471	0.5
137.02449	0.6
139.04007	1.9
143.03487	0.6
143.05028	0.9
145.06584	16.2
147.04509	0.4
147.08167	1.0
150.03229	1.0
152.01189	0.5
158.03717	0.5
161.04562	0.7
163.07637	6.0
173.04695	0.5
173.06064	10.4
189.05606	0.4
191.07129	100.0
192.07472	1.6
202.04468	0.4
205.08809	0.3
206.09163	0.3
211.93877	0.3
228.47137	0.3
235.06166	1.7
315.91666	0.3
353.12408	5.5
397.11395	1.9
449.14987	0.4
451.28949	0.9
511.16684	0.4
511.30151	0.4
513.64380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03454	1.0
59.01377	13.9
60.60868	1.0
61.98821	4.2
64.24249	0.8
67.05525	1.5
69.03455	1.4
69.62594	1.5
69.62956	3.3
71.01395	6.4
73.02947	3.5
75.00867	2.2
81.03471	1.1
87.53988	0.9
88.98795	2.0
89.02444	2.8
93.03454	5.5
95.05020	8.8
101.02502	1.7
106.04235	6.7
111.00870	1.1
113.02418	4.8
119.05074	2.5
125.02368	1.0
139.04012	100.0
145.06573	3.7
147.08147	25.2
150.08302	1.1
163.03976	1.8
166.94269	0.9
173.04584	1.8
173.06059	17.3
179.05638	1.2
191.05598	2.2
191.07137	7.9
217.05058	2.9
260.87671	1.0
271.13388	1.1
271.79221	0.9
289.14285	1.7
327.44147	1.2
335.11148	1.5
353.12344	1.3
379.10342	2.9
397.11383	7.0
451.22156	1.0
451.29089	2.5
458.09164	1.0
510.29852	1.7
511.14334	6.1
511.28253	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	511.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94443	1.0
59.01370	4.7
61.98826	18.9
66.99642	1.0
68.66762	0.9
69.03452	1.6
70.32681	0.9
71.01390	1.9
71.43302	1.1
73.02940	3.5
77.17640	1.1
85.02940	1.3
94.02960	1.0
98.21532	1.2
101.02451	1.0
113.02455	4.3
176.08412	8.8
191.05640	1.6
191.10677	4.7
204.40889	1.0
219.06671	1.4
220.07387	28.1
220.09531	1.7
235.09737	100.0
236.10043	1.9
305.21292	1.7
331.19183	1.5
349.20007	2.2
397.14932	3.9
445.23837	1.1
460.68356	1.1
467.26559	2.5
511.25516	53.2
511.31833	2.3
512.26215	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	511.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17804	0.6
55.01880	3.8
57.03435	2.9
59.01380	29.8
61.98564	0.6
61.98836	5.1
66.92337	0.6
69.03454	2.7
71.01382	39.5
71.29732	0.6
71.66116	0.7
72.99304	1.2
73.02946	15.1
75.00877	1.1
81.03461	0.9
83.01379	8.0
85.02453	1.3
85.02953	18.6
87.00876	4.7
89.02449	7.9
92.23427	0.7
93.03419	1.0
95.01389	2.6
96.96007	1.3
97.02938	2.0
98.21884	1.3
99.00885	4.2
101.02443	37.5
109.02956	1.0
111.00873	0.9
113.02446	23.2
116.92819	1.8
119.03497	3.1
123.04535	0.9
125.02410	1.6
125.09734	1.0
131.03525	0.7
136.17274	0.7
143.03488	2.4
159.03003	3.0
161.04561	16.6
173.04556	0.8
179.05586	1.2
187.09781	1.3
191.05605	2.5
235.11853	22.7
291.02823	0.7
319.02490	0.9
341.50851	0.9
358.07996	0.8
364.07944	0.8
382.08670	0.8
397.17117	100.0
398.17365	2.1
510.22687	0.7
511.22980	3.3
511.31375	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	1.5
69.34541	5.1
73.30011	0.9
75.55086	0.9
88.52505	0.9
97.60864	0.9
98.22786	0.9
106.04275	1.9
116.92844	1.2
135.04555	2.0
136.05310	9.4
137.06087	10.5
141.21672	1.1
149.06065	5.2
151.07762	1.0
151.30630	1.0
164.04758	7.4
165.05571	22.2
175.03981	0.9
182.07370	5.2
192.95868	2.1
197.06073	8.0
210.06815	12.2
211.07570	3.3
213.05574	1.0
225.05603	10.7
225.09126	11.1
226.06351	29.4
226.09801	1.7
226.68367	1.2
239.10672	1.1
240.07919	7.2
241.08717	7.9
255.10255	14.8
256.23700	2.1
257.11826	5.4
271.09628	2.4
285.11313	16.9
286.12064	9.3
297.11496	1.1
369.14951	4.5
470.32516	1.0
511.21246	100.0
512.21545	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	511.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20159	0.5
51.01650	0.5
59.01389	0.6
60.39926	0.6
69.39674	1.9
69.40051	1.2
93.03432	0.8
107.05065	0.7
122.03736	8.5
123.04523	13.6
125.02443	0.6
135.04533	4.8
137.02419	1.2
137.06033	1.0
139.11256	2.2
150.03223	7.5
151.04002	23.4
183.10158	0.6
188.69458	0.5
195.08136	1.0
196.08917	6.8
196.58475	0.7
197.09666	1.0
201.11357	4.1
209.05928	0.6
210.06847	1.3
211.07620	14.7
212.08298	1.1
213.09221	1.1
223.07634	1.7
224.08406	25.6
225.08905	1.6
238.06371	1.3
238.09517	0.5
239.07111	16.3
239.10764	25.7
240.07899	11.9
240.11201	1.3
241.05060	0.8
241.08691	14.5
242.09210	0.5
243.10222	5.5
253.08678	0.7
253.12282	0.7
254.09442	7.2
255.10252	4.5
257.08163	1.0
269.11899	1.5
271.09729	16.2
272.10489	11.9
291.19595	1.7
295.13782	0.5
297.11282	1.0
309.20761	1.3
331.07889	0.5
375.12302	1.1
379.11569	0.7
390.14398	0.9
467.01468	0.6
496.18793	1.3
511.21207	100.0
512.21667	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	511.212
Annotation	(2R)-8-Methylsocotrin-4'-ol
Peak:m/z	Relative Intensity
56.51161	0.5
61.98817	0.9
68.17702	0.5
75.62808	0.5
99.29655	0.6
106.04231	2.6
107.05029	0.6
108.02144	0.9
109.02934	1.0
114.09178	0.5
121.02945	1.2
122.03729	6.4
123.04533	6.8
125.02380	0.6
135.04506	4.9
137.02446	0.8
140.40640	0.5
145.13245	0.5
150.03218	8.6
151.04007	12.7
151.52570	0.5
190.43413	0.5
195.08160	0.8
196.05344	0.8
196.08922	5.4
199.69775	0.5
207.12708	0.5
210.06729	0.6
211.07623	10.3
212.08331	1.9
223.07716	0.6
224.08405	21.1
225.05640	0.8
225.09062	1.3
226.06270	0.6
227.07195	1.1
238.06203	0.7
239.07097	11.4
239.10767	23.2
240.07889	32.7
241.08632	15.0
242.09251	0.7
243.10234	4.5
254.09470	9.9
254.45096	0.6
255.10240	6.4
257.08182	1.7
257.11807	0.8
269.11783	4.5
269.14407	0.7
271.09756	16.8
272.10443	2.8
375.12259	1.0
389.13782	1.2
390.14355	0.9
493.20026	0.6
496.19089	1.2
511.21207	100.0
512.21490	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	511.2119
Annotation	(2R)-8-Methylsocotrin-4'-ol
Peak:m/z	Relative Intensity
54.04940	0.5
61.98828	0.8
64.95625	0.4
70.44227	1.3
71.05021	0.5
96.95889	0.5
98.22530	0.5
106.04223	0.7
135.04533	0.8
136.05296	1.1
137.06093	0.5
150.44116	0.5
154.61244	0.5
181.10229	0.9
194.07364	0.8
198.22467	0.5
209.06061	1.9
210.06786	0.8
211.07643	6.8
224.04765	0.5
225.09151	2.0
237.05528	2.2
238.06319	8.6
239.07124	10.5
240.07840	1.9
241.08640	0.6
243.10455	0.7
243.18080	0.5
251.07133	1.2
252.07855	1.7
253.08643	2.0
254.09460	6.6
255.10332	1.0
257.11838	5.2
267.10229	0.7
277.08701	1.1
279.10260	0.8
280.07462	2.6
285.40219	0.5
289.12292	2.0
291.10132	0.6
294.08975	1.0
295.09796	2.2
316.10941	0.6
317.08096	0.7
319.09811	0.6
329.11771	1.1
331.09845	0.7
333.11337	0.7
345.07553	0.6
346.08505	0.7
347.12915	2.6
347.18539	0.5
348.13470	0.7
356.10446	1.1
357.11298	1.7
358.12146	0.6
359.09164	1.3
360.09973	4.0
361.10532	1.6
371.12787	1.0
373.14529	0.8
374.11700	1.2
375.12375	3.6
389.13785	1.1
390.14932	2.4
397.15030	0.6
398.15378	0.9
405.16995	1.1
440.16666	0.7
451.19437	0.5
452.19455	0.6
454.17899	0.7
455.18576	1.0
469.20227	1.4
477.16843	1.3
478.18008	0.7
481.16772	0.7
493.20239	1.2
495.18137	4.0
496.18869	24.9
497.18936	0.9
511.21240	100.0
512.21582	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	511.2545
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
59.01376	13.3
61.98824	5.6
69.26656	3.6
69.27047	2.4
71.01385	7.6
76.34423	0.9
78.09288	1.0
85.02935	3.2
89.02449	5.1
98.22596	2.3
101.02429	3.9
113.02454	4.1
119.03506	1.8
130.79510	1.1
143.03465	1.0
179.05649	1.3
191.05606	2.0
219.13828	3.7
287.20142	6.5
305.21249	5.1
331.19110	60.8
332.19446	2.2
349.20166	100.0
350.20422	3.4
363.21719	4.7
391.21234	27.6
392.21506	1.7
421.22253	4.7
451.23428	11.2
511.25449	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2546
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
59.01366	0.6
61.65903	0.1
61.98827	20.3
64.79597	0.2
70.98313	0.3
71.01366	0.2
73.20652	0.2
85.02950	0.2
89.02428	0.4
96.96005	0.4
113.02458	0.2
119.03456	0.2
159.36653	0.2
191.05614	0.4
226.47452	0.2
303.19659	2.8
303.39886	0.2
305.21289	0.2
326.58002	0.2
331.19061	0.7
349.20163	100.0
350.20505	3.8
363.21780	0.6
391.21268	2.6
487.91119	0.2
511.25571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69223	0.2
59.01368	0.9
61.98817	0.6
69.03445	0.2
69.08301	0.7
69.08706	0.9
71.01382	0.3
80.02668	1.6
81.03084	0.2
81.03457	1.7
82.95405	0.3
83.01374	0.3
83.05028	5.7
84.02160	0.8
91.04019	0.2
93.03432	1.2
95.05006	1.1
97.06594	0.9
107.92374	0.3
109.06587	1.0
111.04519	0.4
113.84831	0.2
118.59004	0.2
121.06595	0.3
123.08164	0.8
125.06065	0.6
125.09689	2.5
127.11308	0.4
135.08162	1.6
135.25110	0.3
149.09723	0.9
153.09195	0.3
156.62038	0.3
163.11281	4.5
165.12811	2.8
171.10265	29.7
172.10661	0.5
177.12900	0.4
181.12386	0.7
185.11838	1.6
191.05551	0.3
191.10794	1.5
203.14403	0.9
207.10280	0.6
209.11821	100.0
210.12140	2.4
219.13821	0.3
221.11891	1.1
223.13431	1.7
227.12856	8.9
228.13206	0.3
229.12326	0.9
231.13885	0.6
237.14989	0.4
247.13390	8.4
249.14999	0.5
265.14438	3.2
270.21378	0.3
321.17261	0.6
331.22900	0.4
339.18289	0.4
357.20657	0.7
375.21307	1.4
375.25461	0.6
383.22336	0.4
391.24756	0.4
401.23245	1.1
419.24600	1.2
431.24390	0.9
437.25452	0.4
449.25430	3.2
457.26004	0.7
475.26987	3.5
493.28061	2.2
511.29086	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42888	0.2
57.03450	0.3
58.91657	0.3
59.01368	1.3
61.98819	0.9
63.94032	0.3
69.03455	0.5
69.14048	1.5
70.97987	0.3
71.01386	0.3
80.02702	1.4
81.03446	1.4
83.05015	5.6
84.02171	0.9
93.03449	1.6
95.05019	1.0
97.06597	0.8
109.06570	0.6
111.04527	0.5
123.08138	0.8
125.06054	0.4
125.09732	2.4
127.11275	0.3
135.08168	1.3
137.02432	0.4
149.09714	0.8
163.11282	4.6
165.12828	2.6
171.10269	27.9
173.04483	0.4
177.12900	0.3
181.12404	0.7
185.11920	1.8
191.05684	1.4
191.10736	1.3
207.10252	0.3
209.11829	100.0
210.12178	2.1
219.13954	0.5
221.11897	0.9
223.13377	1.1
225.11266	0.3
227.12888	9.5
228.13225	0.4
229.12302	0.6
231.13910	0.4
233.35268	0.3
247.13374	8.2
265.14444	2.6
269.06796	0.3
295.20862	0.3
313.21805	0.3
321.17007	0.6
331.22708	0.5
339.18387	0.4
357.20981	0.3
375.21402	0.7
375.25592	0.6
401.23056	1.5
415.16223	0.4
419.24277	0.8
431.24432	0.7
437.25259	0.4
449.25635	2.5
457.25848	0.4
467.33859	0.3
475.27014	2.6
493.28070	2.4
511.21777	0.5
511.29120	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	512.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90499	0.8
57.03430	3.5
59.01368	2.9
60.10629	0.9
61.98824	17.7
65.00303	1.0
71.01373	1.8
72.16384	1.0
83.01392	2.8
87.00853	1.1
93.03436	2.4
97.02943	1.0
107.01389	3.0
107.04973	1.0
109.02944	1.7
114.04217	0.9
117.03460	1.1
121.02947	1.6
121.31255	0.9
123.04504	1.4
124.01561	1.0
125.02440	48.3
131.04655	1.0
133.02951	1.3
137.02472	1.1
146.04584	1.5
149.02446	6.3
151.00359	14.7
151.03946	1.5
152.01125	2.8
153.01936	6.0
159.04562	1.1
163.00374	1.4
173.05998	2.4
177.01994	1.0
177.05589	1.2
178.99837	12.0
179.03473	2.5
180.00536	1.0
191.05673	1.9
197.06122	1.4
201.05548	2.5
215.07072	3.6
225.05577	2.6
234.27719	1.1
241.58516	1.0
243.06531	3.8
259.06085	57.9
260.06409	1.5
269.04529	48.6
270.04825	1.6
287.05573	27.1
287.08743	1.4
303.08801	1.0
311.05859	1.2
341.44638	1.0
390.30087	0.9
408.09015	1.1
421.11438	2.0
431.09424	3.6
449.10840	100.0
450.11041	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	512.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94229	0.7
59.01376	3.1
61.98830	100.0
69.80891	0.8
70.97102	0.9
73.02916	0.7
75.00838	1.2
93.03462	2.4
111.04494	1.1
116.92831	1.0
120.03085	0.8
121.06590	1.7
125.06212	0.8
137.06094	3.1
137.49275	0.7
163.07626	6.5
165.05551	7.6
166.06357	3.2
172.97142	0.7
173.04611	1.0
191.05681	1.5
205.08675	0.9
227.10788	2.1
241.75381	0.8
245.11794	3.4
269.11850	3.9
272.10541	8.4
287.12872	7.1
319.90070	0.9
352.39444	0.8
361.77921	0.8
434.15836	7.2
449.18185	30.1
460.61838	0.8
512.14819	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	513.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39960	0.6
57.68132	0.7
59.01383	6.8
61.98829	6.1
69.03462	0.8
69.61862	2.4
71.01371	7.6
73.02950	1.4
82.95411	3.7
83.01379	1.2
84.17581	0.5
84.93867	4.0
85.02947	4.1
87.00866	1.7
87.04520	4.3
88.98817	1.0
89.02441	2.6
90.98683	0.6
93.03456	12.2
95.01402	0.9
96.96008	7.9
98.95581	6.8
98.96436	1.0
99.00876	1.1
99.92580	39.2
100.92667	1.8
100.93358	39.2
101.02441	3.0
101.93394	0.8
107.05019	0.6
108.02143	1.6
111.00897	1.2
113.02462	5.5
114.95019	0.6
115.92074	43.9
116.92856	100.0
117.92869	2.2
117.93638	0.6
119.03497	1.1
121.02959	20.7
123.00835	0.6
124.96994	0.9
125.02485	0.7
126.94057	0.6
126.94927	2.3
128.92822	0.9
131.03484	8.7
135.04515	0.7
136.01688	0.6
137.02434	12.2
139.03986	1.8
140.96515	2.4
141.93636	2.5
142.94409	2.2
143.03519	0.7
145.06596	0.6
147.04509	0.6
147.08127	1.0
149.06113	0.8
151.03970	0.9
152.96468	1.2
154.94441	1.6
156.95961	1.7
161.02434	0.6
161.04515	2.2
167.03470	0.7
167.95198	1.1
168.95964	3.4
169.93185	1.3
169.96751	2.6
170.93947	3.0
170.97588	3.9
171.94675	1.6
173.04478	1.0
175.07616	1.6
179.05602	1.0
181.38271	0.6
182.97574	1.2
184.95540	1.5
185.96234	0.8
186.97003	1.3
189.05539	0.8
191.05641	1.9
191.95155	2.0
195.94711	1.1
196.95496	2.1
198.96999	1.8
201.05522	2.8
204.95970	1.2
207.40175	0.6
208.95470	1.4
210.96889	0.7
212.95015	0.9
213.95703	8.1
214.96516	12.0
215.97232	1.0
219.06615	2.1
220.95532	4.1
224.52829	0.7
224.94928	2.2
225.95612	0.8
226.96457	1.9
237.07689	2.0
238.99950	0.6
239.97244	1.2
242.95834	2.9
243.96680	1.3
244.97469	1.0
252.94450	1.9
274.96402	0.7
285.00635	3.5
298.98636	1.4
313.00128	1.4
329.06265	1.0
334.98651	2.6
338.97940	1.6
339.04797	1.2
339.98849	4.2
356.99191	1.6
357.99869	1.4
362.98080	1.1
375.00241	1.2
383.00827	1.4
399.12994	3.5
399.18704	3.3
412.14807	0.6
423.03860	2.3
435.40805	0.6
451.03366	1.2
457.91135	0.6
465.00958	0.6
477.01239	24.6
478.01501	1.1
495.02313	15.6
496.02362	1.2
512.30762	1.1
513.03357	52.2
514.03564	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
57.46693	0.5
58.35756	0.6
59.01377	7.1
61.98827	9.6
68.44144	0.5
69.03458	0.8
71.01369	5.1
72.22377	0.5
73.02954	2.0
74.51304	0.5
83.01388	0.8
83.93096	0.7
84.93880	2.2
85.02952	2.8
87.00867	1.5
87.04523	4.2
89.02448	2.7
93.03455	6.7
95.01369	1.0
96.96013	5.9
97.02955	1.2
98.95565	2.9
99.00885	1.2
99.04508	2.3
99.92584	33.2
100.93360	41.6
101.02438	2.8
101.93329	1.1
108.02163	1.3
109.02981	1.7
111.00868	1.5
111.04476	0.8
113.02476	3.5
114.94989	0.6
115.92078	52.9
116.92860	100.0
117.92873	1.8
117.93650	1.0
119.03510	1.1
119.05077	1.0
121.02989	1.2
123.04519	1.2
124.93287	0.7
124.97015	1.0
125.02469	0.7
126.94962	0.7
131.03487	6.3
132.92363	0.7
134.03757	1.0
135.04527	1.5
137.02454	5.2
137.06075	7.8
137.21059	0.6
139.04037	1.4
140.96474	2.9
141.01797	0.7
141.93672	1.1
142.94412	2.3
146.03740	2.2
147.08159	1.9
149.00633	0.9
149.04535	0.7
149.06052	1.0
152.01178	0.9
153.01917	2.1
154.94452	1.1
156.95984	1.8
161.02438	0.7
161.04570	1.3
165.05676	0.6
167.03496	1.0
167.95190	0.7
168.96004	2.6
169.96764	2.2
170.93906	1.2
170.97539	4.0
171.94527	0.6
173.04555	1.4
175.07628	10.1
179.03557	0.7
179.05460	0.7
180.95944	0.8
184.95477	1.2
186.97017	1.3
191.05669	3.6
193.08691	1.2
196.95488	2.3
198.97012	0.7
200.94981	0.7
213.07579	1.1
213.95767	7.4
214.96533	9.0
220.98996	0.8
224.95172	0.8
225.95761	0.7
226.96516	3.0
236.98607	1.0
237.07675	13.2
242.95998	0.8
243.96797	0.7
244.97655	1.7
252.98100	3.0
282.35019	0.7
285.00568	3.2
291.21970	0.6
310.98712	0.9
335.02295	4.7
339.05020	0.9
339.98901	2.6
345.00754	1.1
351.21631	0.6
352.90433	0.6
363.01880	1.6
365.03287	0.7
382.03662	0.9
383.04584	1.6
399.13025	4.9
423.07553	9.6
444.47778	0.8
451.06854	1.2
453.27383	1.5
467.28854	0.8
477.04965	20.9
478.05090	0.8
495.05774	3.0
513.07080	53.7
513.15637	3.8
513.27606	1.4
514.07355	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	513.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80678	1.0
69.03439	1.4
70.63372	1.6
71.05019	6.2
76.02272	1.1
85.01917	1.0
85.02943	5.0
87.04509	4.5
92.32625	1.0
93.03466	1.1
97.02949	1.5
99.03786	1.0
109.54637	1.0
112.01645	2.7
113.02493	1.2
115.04002	60.8
130.08772	8.0
145.03682	1.2
159.02980	94.8
160.03392	1.9
161.88515	1.2
191.05594	100.0
192.05981	2.2
193.44991	1.1
199.00966	7.5
215.36104	1.1
243.08481	1.3
315.46878	1.1
339.01981	1.5
343.17175	2.1
344.17657	1.6
346.93567	1.4
353.08786	15.7
415.25092	1.6
438.95233	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	513.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	2.2
70.65152	2.9
71.04992	5.1
74.77345	1.6
85.02947	6.2
87.04515	2.9
90.75317	1.7
93.03458	2.8
109.61259	1.7
115.04005	65.6
130.08672	2.3
131.48111	1.5
132.77153	1.7
153.07433	1.6
159.02980	93.4
161.02357	1.9
168.46776	1.8
191.05594	100.0
199.00975	7.2
212.35652	2.0
242.54549	1.6
353.08691	14.0
364.86420	2.0
427.67383	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	513.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03749	2.0
57.02147	2.2
61.98827	9.0
71.41873	1.7
79.97643	1.8
80.87230	1.7
82.88805	1.8
82.95414	14.7
84.95084	3.6
86.32240	2.0
93.03455	41.3
94.65323	1.8
95.18382	1.7
101.27194	1.9
105.58109	1.7
134.88837	1.8
137.02443	100.0
186.74808	1.7
191.05556	3.8
207.06564	2.1
279.06589	3.2
309.11319	4.9
339.11899	2.2
423.14407	2.9
453.18988	3.5
455.50641	1.9
486.20038	1.9
495.20316	2.8
513.18994	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64970	1.3
59.01392	1.6
61.98844	9.3
82.50684	1.6
93.03436	1.8
95.01382	2.2
96.95073	1.3
110.31134	1.1
110.61157	1.4
120.36637	1.4
121.02937	13.2
123.00884	9.1
124.01647	5.3
125.02400	4.1
135.04460	3.2
136.05275	2.0
137.02438	2.7
138.03229	8.7
139.03992	4.3
148.05299	5.3
149.06088	7.9
153.05475	1.7
177.01903	15.8
191.05577	4.0
192.04279	28.5
195.06624	3.0
207.06621	77.7
225.05598	3.5
226.06277	2.4
238.13060	1.5
242.05815	3.8
243.06557	2.4
253.05098	5.8
254.05876	7.4
255.06531	5.2
256.07236	2.0
257.04398	1.9
267.06598	8.2
268.07358	3.0
269.04578	2.5
270.05347	8.6
271.03238	2.3
271.06061	16.7
271.09235	2.3
272.06818	6.8
272.10468	12.3
273.07526	2.8
279.25906	1.4
282.08899	1.9
285.07764	14.1
287.09402	6.7
287.12842	24.8
297.11276	16.6
299.12881	14.8
407.14920	2.2
420.12509	1.4
421.12732	7.6
423.14600	15.5
447.14499	1.9
451.17569	42.8
453.19153	100.0
454.19281	3.7
495.20221	77.3
496.20502	1.6
513.20538	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	513.213
Annotation	Xylogranatin K
Peak:m/z	Relative Intensity
59.01385	2.2
61.98825	9.7
69.50345	2.2
69.50728	1.7
69.53581	0.9
70.31675	1.1
93.03455	1.4
95.01396	2.7
95.14175	1.0
100.78790	1.0
108.24326	0.9
121.02961	10.1
123.00896	18.8
123.04514	1.6
123.21121	1.0
124.01676	10.3
125.02431	3.1
135.04512	1.0
136.05316	5.7
137.02478	1.7
138.03214	16.1
139.04031	4.7
147.04518	1.4
148.05328	6.6
149.02411	1.3
149.06068	3.8
153.05589	3.9
171.04434	1.3
177.01935	13.0
188.04863	1.1
191.05531	1.4
192.04303	22.1
194.07281	1.2
196.08917	3.4
207.06625	73.3
208.06938	1.3
210.06897	1.4
211.07690	2.0
212.04697	0.9
223.07727	1.1
225.05580	3.9
226.06303	4.6
227.07086	1.6
228.08047	1.0
239.07153	1.6
241.05138	4.9
242.05882	2.9
242.22472	0.9
243.06578	2.1
253.05000	4.9
253.08775	1.5
254.05833	11.4
255.06660	10.0
255.09364	1.2
255.10426	1.3
256.07370	2.7
257.04544	1.7
257.08243	2.1
258.05219	1.2
267.06635	12.2
267.09598	1.4
267.10385	1.3
268.07306	4.1
269.04596	3.5
269.08032	2.1
270.05328	11.8
270.08643	2.5
271.06134	13.7
271.09735	3.0
272.06857	7.3
272.10529	10.9
281.08258	1.6
282.09009	3.9
283.06506	1.1
283.09735	2.6
284.06924	4.4
284.10052	0.9
285.07745	11.6
285.10916	2.2
287.09335	6.2
287.12854	42.1
288.13031	1.0
297.11301	29.5
298.11615	1.9
299.09662	1.2
299.12866	22.5
379.15262	1.1
391.08301	1.1
393.13547	1.6
407.14938	4.1
420.12106	2.6
421.12839	8.1
423.14468	22.1
435.14407	3.4
447.14639	2.6
451.17618	68.4
452.18079	3.7
453.19196	100.0
454.19470	5.4
465.19266	1.4
495.20258	89.9
496.20395	4.3
513.21228	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	513.2276
Annotation	Telmisartan
Peak:m/z	Relative Intensity
55.01881	1.0
59.01374	7.8
59.93135	0.8
61.98792	1.1
68.13293	0.8
69.14786	3.2
69.15195	2.1
71.01385	4.0
77.80017	0.8
78.95892	4.2
83.05016	1.3
85.02950	1.7
89.02437	3.5
92.51424	0.9
101.02425	4.1
107.05024	2.8
113.02469	1.8
122.03757	4.4
123.04527	14.0
135.04524	5.1
136.05312	1.9
137.02451	1.2
137.06084	1.4
149.06090	1.0
150.03238	3.7
151.04007	32.2
152.04785	7.2
152.99564	7.6
161.04581	1.6
175.04004	1.0
181.10217	3.2
189.05568	1.6
216.08368	0.8
225.09242	5.9
227.10741	1.6
241.08749	3.7
243.10190	5.0
253.09235	15.5
255.10312	2.3
256.11057	1.6
257.08072	1.4
257.11813	6.4
258.08948	2.1
267.10263	2.8
271.09698	10.4
272.10492	17.5
273.11273	7.9
277.21725	100.0
278.22000	2.3
295.39380	1.0
311.12878	3.7
337.65427	1.0
359.13104	1.0
377.13873	1.0
431.21829	1.8
491.65585	0.9
498.20575	4.6
513.22845	86.1
514.23407	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	513.2279
Annotation	Telmisartan
Peak:m/z	Relative Intensity
69.58772	2.5
87.03787	0.7
93.03494	0.7
94.01080	0.7
101.11235	0.6
106.04230	1.7
107.05038	7.8
122.03778	0.8
123.04625	0.6
135.03600	1.2
135.04543	12.8
136.05316	1.5
137.06090	2.0
143.99020	0.6
149.06079	2.3
151.04033	0.6
165.98111	0.6
172.33919	0.6
175.04037	1.6
176.04807	2.9
179.08636	0.9
181.10245	7.8
187.07527	0.8
201.12914	0.6
225.09200	11.7
226.06288	1.1
227.10762	1.9
239.07086	1.3
239.10788	1.2
241.08611	3.5
242.05791	1.0
243.10109	1.6
253.08653	1.8
254.09370	0.7
255.06680	1.4
255.10255	6.0
256.07452	4.7
256.11057	6.9
257.08075	4.4
257.11914	4.0
269.08197	1.8
297.11356	2.4
299.88776	0.6
311.12964	1.0
343.13397	1.2
360.13757	1.1
374.15598	0.8
375.16040	0.8
377.13895	2.5
378.14407	1.2
378.75897	0.7
407.18787	1.0
457.20386	1.1
481.20087	1.2
513.22839	100.0
514.23212	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	513.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64271	0.2
51.93450	0.2
55.01880	0.3
59.01379	100.0
60.01707	0.3
60.56544	0.3
61.98819	0.4
69.11581	0.7
69.12007	0.9
71.01376	2.0
73.02960	1.0
83.01414	0.5
85.02939	1.4
95.05001	0.4
98.21938	0.5
99.00871	0.5
101.02452	3.0
113.02453	1.3
119.20083	0.3
141.80978	0.3
157.06688	0.4
158.27496	0.3
159.11809	0.6
161.04590	0.9
161.13362	6.5
162.13580	0.3
169.10262	0.3
173.04572	0.6
187.11290	26.9
188.11679	0.8
191.05678	0.8
197.10205	0.3
205.12337	7.5
209.11911	0.5
221.10289	6.7
221.12363	0.3
231.10492	0.4
396.72537	0.3
409.22275	5.3
409.27338	0.5
410.22760	0.3
428.55637	0.3
453.21146	2.4
469.24698	0.3
471.22607	0.6
491.20486	0.3
513.23450	4.9
514.24017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01695	0.3
61.98824	0.8
71.01385	2.8
73.02965	1.2
83.01469	0.3
85.02932	1.9
87.00895	0.7
88.60154	0.3
90.69667	0.2
93.03460	1.2
97.06586	0.3
99.00916	0.4
101.02454	2.4
103.35490	0.3
107.05121	0.3
113.02460	1.9
119.05017	2.4
120.05858	0.3
132.05817	0.4
159.11836	0.6
161.04596	1.2
161.09782	1.0
161.13359	5.0
162.13716	0.3
163.03992	1.9
173.04594	0.9
177.02103	0.3
187.11278	20.3
188.11699	0.5
189.09283	0.9
191.05620	1.8
205.12317	6.3
209.11897	0.6
221.10301	6.0
221.12317	0.4
231.10214	0.4
249.11345	0.5
409.22250	3.4
453.21280	2.1
469.25241	0.4
471.23038	0.5
497.20367	0.5
504.21387	0.6
513.23138	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	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
58.87547	0.1
59.01377	100.0
60.01716	0.4
61.98838	0.4
69.14219	0.6
69.14622	0.3
71.01379	1.5
73.02954	0.8
78.86291	0.2
81.03453	0.3
83.01412	0.3
85.02940	1.1
89.02439	0.3
93.03515	0.2
95.05002	0.2
99.00858	0.3
101.02435	1.7
106.04263	0.2
107.05023	0.3
113.02467	1.0
120.05814	0.3
131.00784	0.1
132.05763	0.2
133.02966	0.2
135.04518	0.2
137.99905	0.2
142.78575	0.2
157.30698	0.2
159.08186	0.3
159.11876	0.5
161.04626	0.7
161.09785	0.6
161.13351	4.6
165.76874	0.2
169.10394	0.2
170.83029	0.2
173.04631	0.3
187.11273	19.4
188.11626	0.3
189.09273	0.6
191.05727	0.5
205.12328	5.5
205.14215	0.3
209.12001	0.2
221.10286	5.8
221.12370	0.3
231.10266	0.3
236.05247	0.2
249.11325	0.2
313.99692	0.2
409.22299	5.1
453.21240	2.6
469.24673	0.5
471.22073	0.9
513.23248	5.4
514.23755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03241	0.8
55.01859	1.7
57.03437	1.9
59.01078	1.1
59.01379	33.5
61.98813	3.9
69.03453	17.1
71.01379	44.9
72.99309	1.0
73.02948	11.8
80.71996	0.9
83.01369	3.1
85.02951	21.1
85.03461	1.3
87.00860	3.3
89.02444	27.2
93.03439	2.4
95.01376	3.6
97.02927	1.2
98.00104	1.2
98.21861	1.7
99.00888	5.2
101.02441	26.9
104.02251	0.9
113.02448	100.0
114.02729	1.3
119.03501	14.9
125.02390	1.8
131.03493	2.5
133.02913	1.1
134.03783	1.1
135.04456	1.3
136.05302	2.1
139.04060	0.9
143.03506	4.2
146.03729	1.4
151.07623	3.9
159.03036	4.4
159.62201	0.9
161.04556	29.1
171.66531	0.9
173.04500	3.5
177.01785	0.9
179.05620	11.0
191.05702	5.1
209.11815	1.7
211.13274	1.4
226.91451	0.9
245.33849	0.9
341.19730	4.6
399.18839	1.4
399.23819	20.2
451.34146	2.8
469.35498	1.0
475.75745	0.8
496.70786	1.7
513.30762	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.2
57.03428	0.1
58.00594	0.1
58.46693	0.1
59.01377	7.1
61.98819	0.1
71.01379	4.1
72.99297	0.1
73.02612	0.1
73.02946	1.0
83.01398	0.5
83.05009	0.1
85.02950	1.1
87.00873	0.5
89.02440	3.5
91.04023	0.1
95.01373	0.2
97.02923	0.1
99.00861	0.3
99.04528	0.1
101.02438	3.8
105.74004	0.1
110.70486	0.1
113.02448	1.7
119.03494	0.9
125.02396	0.1
127.07641	0.2
131.03419	0.1
133.05057	0.3
143.03488	0.3
149.04507	0.2
157.05063	0.2
161.04549	1.6
179.05602	0.5
194.17097	0.1
205.19514	0.1
233.22668	0.2
235.08234	1.3
253.09273	15.0
254.09616	0.3
259.20651	0.4
275.20065	0.4
277.21707	100.0
278.22034	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
58.92704	0.2
59.01375	6.6
59.83657	0.2
61.40205	0.2
61.98801	0.2
62.85473	0.2
64.58016	0.2
65.46922	0.2
69.05657	0.3
69.06059	1.0
69.57056	0.2
71.01379	4.1
73.02940	1.1
83.01379	0.6
83.05029	0.3
85.02946	0.8
87.00866	0.6
89.02437	3.6
95.01389	0.3
99.00880	0.2
101.02445	3.9
103.04002	0.3
113.02462	1.9
118.96565	0.2
119.03535	1.1
125.02444	0.2
127.07742	0.3
133.05087	0.4
143.03505	0.6
146.50484	0.2
152.99590	0.3
157.05066	0.4
161.04570	2.0
161.12312	0.2
179.05598	0.5
235.08240	1.1
253.09280	16.0
259.20663	0.5
275.20020	0.3
277.21710	100.0
278.22098	2.9
295.14648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53529	0.4
57.03427	0.4
59.01381	6.0
61.98829	19.4
63.38192	0.4
69.03458	0.6
71.01384	5.4
73.02959	0.8
76.12699	0.3
81.03455	0.5
83.01400	0.5
85.02949	1.1
87.00888	0.5
88.04043	0.5
89.02443	4.2
93.03501	0.5
96.96029	0.5
97.02943	0.5
101.02451	3.5
113.02444	1.5
116.05052	0.4
119.03480	2.1
123.04546	0.4
125.02441	2.7
128.03561	0.7
131.03781	2.2
131.08237	1.1
137.02420	0.5
138.23749	0.4
143.03503	1.1
144.04562	6.9
146.06117	100.0
147.06444	1.5
151.03958	0.5
161.02440	1.4
161.04596	0.8
162.05678	0.5
172.04045	0.7
173.10454	0.6
179.05634	1.3
190.05096	31.7
191.05579	4.1
221.06735	1.3
232.06157	0.8
263.07745	0.8
289.07190	1.5
292.15701	0.9
323.09955	3.4
356.54022	0.4
382.16504	0.5
470.22495	0.6
484.29105	0.8
514.15698	22.3
514.28894	1.8
515.14868	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	514.193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83648	0.2
59.01382	0.4
61.98829	100.0
69.08951	1.5
80.90832	0.2
80.91675	0.3
82.95414	1.4
93.03471	0.4
110.48821	0.3
126.67487	0.2
129.85362	0.2
132.41840	0.2
140.86359	0.2
171.47328	0.3
191.05656	1.0
216.95645	0.2
216.97980	0.2
268.46561	0.2
431.84644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98829	100.0
70.36914	0.2
98.22545	0.1
101.20897	0.1
111.08157	0.1
148.05363	0.3
161.02420	0.1
174.44789	0.1
180.04341	0.2
191.05727	0.2
199.76257	0.1
203.10774	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	514.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33884	0.1
59.01384	0.3
61.98830	100.0
69.95403	0.3
69.95732	0.1
76.38860	0.1
97.12309	0.1
124.21636	0.1
191.05664	0.2
192.99910	0.1
228.11131	0.2
433.28152	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	514.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
61.98829	100.0
69.19765	1.1
71.01391	0.3
85.02950	0.2
89.02480	0.2
98.22591	0.4
108.63685	0.2
121.21176	0.2
141.75519	0.2
175.07770	0.2
179.03525	0.3
179.35846	0.2
187.11432	0.3
205.12317	0.3
218.58350	0.2
254.60626	0.2
367.67157	0.2
387.11621	0.2
437.01373	0.2
480.37354	0.2
496.10217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.41746	1.5
55.62175	1.6
61.03210	1.6
61.98825	5.3
69.15765	5.4
69.16169	4.5
94.03037	1.5
98.59673	1.7
101.03959	3.0
107.05042	2.9
109.02925	3.9
111.04518	3.1
112.01659	2.7
122.03720	5.6
123.04523	5.1
125.02383	2.2
127.04017	2.4
129.03462	2.4
131.05025	13.2
133.06657	3.1
135.04483	10.9
137.06049	10.5
146.03731	67.3
147.04532	13.6
148.05278	11.9
149.02444	3.6
149.06071	2.6
150.03284	5.2
151.03972	2.4
161.06058	10.1
162.03224	7.3
163.04039	8.2
163.07643	5.2
165.05493	1.8
167.03519	2.2
173.02374	2.0
174.03197	5.1
175.04022	3.0
177.05539	5.0
177.11847	1.7
178.02705	7.3
179.03543	5.4
180.04216	3.7
189.01865	1.9
190.02718	41.5
191.03474	14.2
191.04991	2.0
192.04274	9.0
205.05046	100.0
206.02275	2.4
206.05714	2.0
207.02956	2.8
207.06599	40.9
216.67459	1.7
221.04489	4.1
222.05321	2.1
234.01672	3.4
237.07672	97.4
238.07878	2.0
249.04030	9.8
250.04764	1.8
252.16019	5.4
265.07193	3.1
277.21793	2.1
298.56189	1.7
321.56827	2.2
442.25894	4.0
482.21524	2.2
499.21664	4.7
503.67838	1.7
514.24445	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
59.01369	2.5
61.98807	2.9
63.02395	1.3
68.99841	1.2
69.03436	1.1
69.14877	6.5
81.04581	0.9
83.05002	1.4
93.03451	1.5
98.21845	2.1
99.08146	1.8
103.01892	1.6
105.07059	1.1
107.05009	3.5
109.02932	2.9
111.04491	3.9
112.01656	2.0
119.05021	2.3
121.02953	1.6
122.03725	4.2
123.04533	5.2
124.01617	1.2
125.02483	1.2
125.42566	1.0
126.09276	1.6
129.03445	3.4
131.05043	13.2
133.02968	1.4
133.06564	2.7
134.03723	1.2
135.04510	10.8
136.05202	1.8
137.02435	1.6
137.06058	9.3
139.03920	1.6
144.00658	1.5
145.02957	1.6
146.03735	60.1
147.04520	13.3
148.05315	11.9
149.02432	2.1
149.06075	2.7
150.03197	4.8
151.03978	3.6
151.07634	2.3
152.04756	2.7
161.06094	10.0
162.03195	3.3
163.04002	8.7
163.07655	3.7
164.04721	1.9
165.05556	2.9
167.03532	1.3
173.02367	2.5
174.03221	3.3
175.03909	5.1
176.01137	2.5
176.04846	1.4
177.02057	1.1
177.05623	6.5
178.02730	7.9
178.06366	2.5
179.03494	4.8
179.07124	1.2
180.04228	1.3
189.02115	1.1
189.05600	1.5
190.02727	38.2
191.03467	12.4
191.07118	1.0
192.04268	10.4
193.05063	1.1
194.05798	1.3
205.05051	100.0
206.02170	4.0
206.05583	3.5
207.02963	3.6
207.06613	38.0
209.04523	1.1
214.08798	1.2
215.07240	1.2
219.06660	1.3
221.04552	5.0
222.05312	3.3
224.03691	1.1
232.17035	1.3
233.08110	2.4
234.01559	2.0
235.02554	1.5
237.07671	90.3
238.08032	1.5
249.04033	10.4
250.04872	2.0
250.14319	2.3
252.16039	5.9
264.06772	1.4
265.07144	3.1
277.07166	1.7
279.08719	1.3
328.36115	1.1
346.71860	1.0
388.17523	1.3
400.21341	1.9
415.84750	1.1
438.23138	1.1
442.26022	3.1
482.21909	2.3
499.22134	5.0
514.24402	55.7
515.24878	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	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.2
61.98827	100.0
64.73295	0.1
69.19997	0.4
69.20397	0.2
71.01395	0.1
77.79673	0.1
79.97108	0.1
92.36326	0.1
147.06496	0.1
221.11803	0.1
227.37543	0.1
279.46909	0.1
329.08463	0.1
454.33939	0.1
514.32623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77584	0.9
56.89116	1.0
57.03433	1.4
57.91695	1.0
59.01379	12.5
61.98837	8.2
67.01917	1.1
68.99816	3.3
69.03455	4.2
69.79051	2.3
71.01392	6.8
73.02952	1.7
80.79716	0.9
82.95393	1.2
83.70348	1.1
84.93880	2.2
85.02953	3.8
87.00888	3.2
87.04512	7.5
89.02440	5.3
91.76804	1.0
93.03455	4.4
95.01414	1.0
96.96002	13.6
98.95597	7.6
98.96456	1.2
99.00890	3.2
99.92585	50.8
100.92663	1.9
100.93360	47.1
101.02453	9.2
107.05052	3.7
111.00906	1.6
113.02435	4.9
115.92075	45.8
116.92859	100.0
117.92898	2.1
117.93644	5.5
119.03497	2.1
121.02952	3.4
124.97017	1.0
126.90440	1.5
126.94954	1.4
127.04005	2.0
131.03517	14.6
135.04530	8.9
135.08200	1.4
137.02477	2.5
139.04008	15.1
140.96587	1.3
141.93605	2.5
142.94412	1.4
149.06085	1.2
151.04013	1.0
151.95720	1.3
154.94411	1.6
157.68153	1.0
159.03043	1.3
161.02480	2.1
161.04535	1.1
163.04028	1.4
163.07680	1.9
167.07143	7.1
167.95236	1.2
168.95979	3.3
169.93088	2.4
169.96771	4.0
170.97546	2.8
173.04587	2.5
179.03522	4.2
186.97002	1.5
191.05615	9.6
195.06580	6.6
196.95506	1.2
204.96021	2.5
205.96680	1.8
206.97600	4.5
213.95747	8.8
214.96507	8.6
215.97368	1.4
219.94647	1.7
220.95485	5.7
221.96240	18.3
222.97028	25.1
223.97873	9.7
226.96492	1.4
230.95973	1.2
239.05553	1.7
242.95998	1.4
243.96815	1.6
247.97763	1.5
250.96504	2.4
263.00079	1.8
275.97498	1.5
276.98132	1.1
285.00543	1.4
317.98294	1.3
319.99850	2.6
335.99359	2.8
337.00299	8.9
339.99051	1.4
341.00137	1.2
346.98621	1.7
353.08902	1.6
356.99219	1.7
357.99854	2.8
364.99722	2.8
367.01233	4.9
385.02353	1.8
425.05569	4.0
471.14832	5.4
479.02856	23.7
480.03174	1.2
497.03937	1.8
515.05048	69.1
515.13647	9.7
515.28796	1.4
516.05133	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77584	0.9
56.89116	1.0
57.03433	1.4
57.91695	1.0
59.01379	12.5
61.98837	8.2
67.01917	1.1
68.99816	3.3
69.03455	4.2
69.79051	2.3
71.01392	6.8
73.02952	1.7
80.79716	0.9
82.95393	1.2
83.70348	1.1
84.93880	2.2
85.02953	3.8
87.00888	3.2
87.04512	7.5
89.02440	5.3
91.76804	1.0
93.03455	4.4
95.01414	1.0
96.96002	13.6
98.95597	7.6
98.96456	1.2
99.00890	3.2
99.92585	50.8
100.92663	1.9
100.93360	47.1
101.02453	9.2
107.05052	3.7
111.00906	1.6
113.02435	4.9
115.92075	45.8
116.92859	100.0
117.92898	2.1
117.93644	5.5
119.03497	2.1
121.02952	3.4
124.97017	1.0
126.90440	1.5
126.94954	1.4
127.04005	2.0
131.03517	14.6
135.04530	8.9
135.08200	1.4
137.02477	2.5
139.04008	15.1
140.96587	1.3
141.93605	2.5
142.94412	1.4
149.06085	1.2
151.04013	1.0
151.95720	1.3
154.94411	1.6
157.68153	1.0
159.03043	1.3
161.02480	2.1
161.04535	1.1
163.04028	1.4
163.07680	1.9
167.07143	7.1
167.95236	1.2
168.95979	3.3
169.93088	2.4
169.96771	4.0
170.97546	2.8
173.04587	2.5
179.03522	4.2
186.97002	1.5
191.05615	9.6
195.06580	6.6
196.95506	1.2
204.96021	2.5
205.96680	1.8
206.97600	4.5
213.95747	8.8
214.96507	8.6
215.97368	1.4
219.94647	1.7
220.95485	5.7
221.96240	18.3
222.97028	25.1
223.97873	9.7
226.96492	1.4
230.95973	1.2
239.05553	1.7
242.95998	1.4
243.96815	1.6
247.97763	1.5
250.96504	2.4
263.00079	1.8
275.97498	1.5
276.98132	1.1
285.00543	1.4
317.98294	1.3
319.99850	2.6
335.99359	2.8
337.00299	8.9
339.99051	1.4
341.00137	1.2
346.98621	1.7
353.08902	1.6
356.99219	1.7
357.99854	2.8
364.99722	2.8
367.01233	4.9
385.02353	1.8
425.05569	4.0
471.14832	5.4
479.02856	23.7
480.03174	1.2
497.03937	1.8
515.05048	69.1
515.13647	9.7
515.28796	1.4
516.05133	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01071	0.3
55.05492	0.3
57.03451	0.3
59.01379	6.6
60.08289	0.2
61.98825	11.7
65.53890	0.3
65.77551	0.3
67.01874	0.4
69.29501	1.5
69.51846	0.3
71.01374	1.1
73.02944	0.9
76.83153	0.3
78.91886	0.4
80.18841	0.3
80.91687	0.6
82.95409	0.8
83.01389	0.4
85.02943	7.2
87.00872	2.0
89.02424	1.1
89.03983	0.3
93.03451	3.6
96.96030	0.5
99.04510	0.4
101.02412	1.0
107.05038	1.5
108.02169	0.5
109.02953	0.7
111.04524	2.4
113.02449	0.7
119.03502	0.4
123.04502	0.4
127.04006	1.5
128.03560	0.3
130.08659	0.5
131.27005	0.3
133.02925	1.5
134.03748	4.2
135.04518	53.3
136.04840	0.7
139.04015	0.8
149.06067	1.0
152.01135	0.7
153.36453	0.3
155.03487	1.0
161.02444	5.8
161.04443	0.5
164.03496	0.4
166.84232	0.3
167.03526	1.3
171.03030	0.8
171.10298	0.3
173.04541	3.7
179.03484	49.2
180.03847	0.9
191.05597	100.0
192.05977	1.4
195.06740	0.3
199.13254	0.3
209.11765	0.3
221.11819	0.6
227.07072	0.5
255.03020	0.5
271.02472	0.7
284.03198	0.3
294.83536	0.3
300.02731	1.3
323.07507	0.5
338.14911	0.3
353.08737	74.8
354.09244	2.6
433.07651	1.0
433.20605	1.2
434.21591	0.4
471.22214	0.7
521.45947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1192
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
50.27187	0.4
55.01875	0.4
57.03449	1.9
57.74401	0.4
59.01375	22.9
60.99295	0.7
61.98820	2.4
67.01884	3.8
68.76993	0.4
69.03449	3.3
71.01379	15.9
71.41104	0.4
71.41528	0.5
73.02937	1.3
75.00893	0.4
81.03438	1.0
83.01378	0.9
83.05000	2.0
85.02943	8.3
87.00877	5.6
87.04485	0.5
89.02439	12.0
91.05537	0.5
93.03452	23.7
95.01379	1.2
95.05015	0.8
96.96001	1.5
97.02960	0.6
99.00879	0.5
99.04498	1.0
100.93359	0.5
101.02443	6.7
107.05010	1.5
109.02955	2.0
111.00864	1.4
111.04516	6.3
113.02444	21.8
114.02790	0.7
116.92847	1.1
119.03487	5.4
121.02921	0.6
123.04539	1.2
124.04855	0.4
125.02520	0.5
127.04012	2.2
131.03513	1.0
133.02945	1.5
134.03746	2.7
135.04527	63.5
136.04852	1.2
137.02455	5.8
139.04025	6.9
142.29993	0.4
143.03511	1.8
143.97220	0.4
145.08675	0.5
151.03923	0.4
153.01912	1.1
155.03505	6.0
159.02974	0.5
161.02452	5.8
161.04517	2.6
169.08740	0.9
173.04549	96.1
174.04871	1.1
175.03944	0.5
179.03497	69.2
179.05511	3.5
180.03865	1.5
191.05606	44.6
192.05913	0.7
199.54015	0.4
201.03992	0.4
203.03470	3.9
203.10806	0.5
221.11772	1.8
225.11221	0.5
237.07582	0.9
239.07996	0.5
255.06776	0.7
280.15561	0.5
299.05566	1.7
317.06689	0.6
335.07639	1.3
339.70627	0.4
353.08749	100.0
354.09207	3.0
401.13400	0.6
401.18500	0.4
427.21576	0.6
515.11719	6.4
515.24341	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	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03441	0.6
59.01375	7.0
60.99290	1.2
61.98803	0.7
67.01884	2.9
69.03458	0.8
71.01383	4.4
71.07036	0.9
73.02937	0.8
81.03452	0.7
83.05016	1.0
85.02953	5.7
87.00884	4.4
87.04528	1.0
89.02445	2.6
93.03453	18.1
96.96005	2.7
99.00872	0.7
101.02450	1.8
104.75253	0.5
107.05019	0.6
109.02937	1.5
111.04519	3.0
113.02459	2.1
116.92847	0.9
121.02937	0.6
127.04012	1.4
131.03477	1.4
133.02943	1.4
134.03741	1.0
135.04523	21.5
139.04085	0.4
143.03511	1.5
149.06062	1.8
155.03496	0.8
161.02440	8.1
161.04572	1.4
163.03973	0.6
173.04544	6.9
173.05998	0.8
177.05637	1.1
179.03484	18.8
180.04253	0.6
188.13715	0.5
191.05605	100.0
192.05969	1.6
209.04453	0.6
221.04533	3.1
221.08221	0.7
233.06657	0.6
239.05563	1.0
285.24356	0.4
323.07736	1.1
331.13861	1.3
332.14465	1.0
341.08612	1.4
353.08746	12.4
395.09711	2.3
401.10901	7.9
429.19565	1.7
455.21027	0.6
458.34140	0.4
515.14008	60.0
516.14362	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	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09595	0.3
57.03452	0.3
59.01377	2.4
61.98829	2.9
67.01866	0.7
71.01375	1.0
73.02949	0.5
73.58966	0.3
79.20254	0.4
82.95412	0.4
85.02943	9.7
87.00867	2.9
88.04058	0.3
93.03451	4.5
97.06579	0.3
99.04548	0.5
101.89114	0.3
105.03436	0.4
109.02959	0.6
111.04527	1.2
117.03450	1.1
118.10929	0.3
125.02438	0.4
125.43467	0.3
126.23354	0.3
127.03992	2.2
127.04827	0.4
127.49545	0.3
130.08736	0.7
132.02177	1.3
133.02945	7.6
135.04526	3.4
146.06078	1.1
146.85201	0.3
160.01675	2.3
160.02771	0.3
161.02432	48.6
161.08218	0.6
162.02780	0.6
162.08429	0.4
171.02951	0.7
173.04584	1.8
179.03473	4.3
191.05595	100.0
192.05951	1.6
218.79857	0.3
242.44301	0.3
254.42934	0.4
270.21219	0.3
323.07678	37.9
324.08115	0.8
337.09259	0.5
341.08636	1.7
353.08731	4.3
395.09781	0.7
515.14020	43.3
515.28345	1.3
516.14514	1.7
516.26965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09156	0.3
53.98640	0.3
59.01375	1.6
60.16117	0.3
67.01881	0.4
69.03458	0.4
69.34418	0.6
69.34776	1.5
71.01377	1.3
81.03459	0.5
83.05009	0.4
85.02950	9.5
87.00866	2.8
93.03455	5.0
96.95987	0.4
100.04003	0.4
109.02962	0.5
111.04490	1.3
117.03465	1.0
127.04058	1.8
132.02188	1.1
133.02019	0.6
133.02954	6.8
135.03587	0.5
135.04530	5.3
135.43990	0.4
143.03505	0.4
146.06102	0.6
147.06503	0.3
155.03532	0.4
155.60391	0.3
159.03009	0.4
160.01634	3.0
161.02434	44.3
162.02733	0.9
171.03004	0.8
173.04581	1.8
179.03477	3.5
191.05600	100.0
192.05959	1.2
242.14804	0.3
277.04706	0.4
304.69089	0.3
323.07690	41.9
324.08081	1.2
341.08698	1.5
353.08649	2.6
432.68033	0.3
448.86688	0.4
488.10770	0.3
515.13995	29.6
516.14288	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
64.71232	0.2
67.01879	0.7
71.01382	1.3
73.02959	0.3
81.03461	0.6
83.05032	0.5
85.02450	0.6
85.02953	9.2
87.00868	2.2
93.03459	5.3
96.96016	1.6
96.96978	0.3
98.22601	0.3
99.04509	0.4
109.02964	1.0
111.04512	1.2
117.03485	1.0
121.94828	0.3
127.04007	2.2
132.02185	1.0
133.02968	6.1
135.04527	5.7
147.08133	0.5
159.08145	0.3
160.01663	3.0
161.02452	50.7
162.02771	0.6
171.03004	0.8
173.04541	2.3
179.03491	4.6
191.05620	100.0
192.06012	0.9
221.08194	0.5
287.77142	0.3
323.07724	46.0
324.08105	1.3
341.08719	2.1
353.08722	3.3
430.80032	0.3
515.14056	32.4
516.14368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62829	1.2
57.22456	1.4
59.01379	7.2
61.98806	2.1
65.61520	1.5
66.02743	1.2
67.01886	5.3
69.03439	1.4
69.52640	4.7
71.01360	5.3
81.03410	1.2
83.05019	2.0
85.02968	7.9
87.00869	4.9
89.02447	2.4
93.03455	35.5
96.96001	5.5
98.22614	2.8
99.04465	1.2
101.02442	3.1
109.02947	4.5
111.00880	1.6
111.04502	5.1
113.02436	3.0
116.92839	7.2
117.91833	1.3
121.03007	1.4
132.38091	1.5
133.02950	1.9
133.03923	1.3
135.04521	92.2
137.02420	5.4
143.03490	1.7
149.06090	3.9
155.03476	4.4
161.02426	11.5
161.04541	1.6
173.04539	58.6
177.05605	1.8
179.03485	100.0
188.21645	1.6
191.05600	70.3
207.06599	2.6
221.04590	5.9
221.08243	2.7
314.76712	1.5
323.07758	4.5
341.08804	48.6
342.38620	1.4
353.08707	8.9
374.12030	1.3
401.11081	6.9
455.21213	1.6
515.14044	72.4
516.14600	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64702	0.3
59.01375	1.8
61.98832	7.6
67.01889	0.9
69.19519	1.5
71.01386	1.0
83.05036	0.4
85.02950	6.5
87.00876	2.1
89.02428	0.4
93.03463	5.5
96.95997	0.7
99.04520	0.5
101.02418	0.4
109.02935	0.7
111.04514	1.8
116.92817	1.0
117.03476	0.3
120.26011	0.4
127.04049	2.0
128.03531	0.6
130.51437	0.3
133.02881	0.4
135.04526	11.9
143.03526	0.5
143.04578	0.6
153.01923	0.5
161.02446	4.1
171.02946	0.5
173.04510	2.5
175.85336	0.4
179.03473	8.4
181.83734	0.3
191.05602	100.0
192.05952	1.2
195.20422	0.3
272.08932	0.8
353.08734	29.1
354.09094	0.9
395.09720	2.6
434.21863	0.5
452.22714	2.0
515.14001	27.3
516.14307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58330	1.2
59.01375	11.1
62.16805	1.0
67.01878	2.8
69.03451	1.8
71.01381	7.3
71.05007	2.9
72.99294	1.4
73.02941	4.7
73.19176	1.2
81.03476	1.9
83.05031	3.2
85.02937	8.7
87.00874	4.9
89.02423	6.5
93.03458	26.3
96.95992	2.8
97.02941	3.2
99.00891	2.7
99.04506	11.3
99.64812	1.1
101.02427	3.8
108.02141	2.9
109.02943	4.6
111.04516	8.6
113.02444	4.5
115.04016	4.4
119.03444	2.1
127.04041	2.1
129.01932	1.3
129.05531	1.6
133.02950	2.3
135.04521	49.2
137.02434	7.8
143.03494	36.5
144.03929	1.4
152.01106	1.5
153.01942	4.5
155.03481	6.8
159.02980	2.4
160.01634	1.6
161.02467	21.0
161.04541	38.8
170.99832	1.4
173.04546	56.3
179.03491	54.8
179.05617	4.0
183.02774	2.7
190.06395	1.2
191.05605	100.0
199.01022	1.7
221.04581	2.0
268.11237	1.3
285.71829	1.5
305.43695	1.6
315.07181	6.8
323.07706	15.2
325.00726	1.2
335.06833	1.3
341.08554	10.8
341.11008	11.4
352.96719	1.9
353.02249	1.3
353.08725	20.3
354.99396	1.7
381.00266	3.1
401.10785	3.8
454.99387	1.3
497.00424	2.3
515.07135	2.7
515.14001	46.8
516.14679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06827	1.9
53.05394	2.0
59.01382	3.9
59.65686	1.6
61.68922	1.6
69.03469	10.4
71.01375	3.7
71.05019	4.0
85.02943	6.2
85.14812	1.8
89.02454	2.4
93.03431	2.5
97.02940	2.5
99.04517	20.5
101.02450	2.6
113.02447	11.7
115.04008	21.0
116.04358	2.5
117.05601	2.4
127.03993	2.6
129.05597	12.4
131.08252	43.3
143.03491	92.0
145.05055	4.0
152.01082	3.4
156.07739	2.3
159.03036	9.1
160.03322	4.4
161.02376	3.8
161.04550	100.0
172.95508	1.7
173.04552	24.9
173.10428	31.1
179.03412	1.9
185.03909	1.8
191.05595	94.7
192.06036	2.6
193.06044	2.6
241.47632	1.9
254.54053	1.7
273.13913	1.8
315.07132	2.5
319.86615	2.0
323.07742	2.2
341.03726	3.7
341.10818	5.4
353.08731	15.6
515.13843	2.6
540.40649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01385	3.1
60.99302	0.8
61.98819	2.8
61.99118	0.6
67.01881	4.8
67.09103	0.6
69.03450	2.1
69.68270	2.3
71.01372	2.8
73.02951	0.6
80.91666	1.7
81.03447	1.3
82.95399	1.8
83.05031	1.4
85.02945	5.9
87.00878	8.6
91.72867	0.6
93.03457	35.1
109.02935	1.8
111.00893	1.0
111.04526	5.1
113.02444	1.1
127.04058	1.1
129.01929	1.5
130.09410	0.7
133.02963	6.3
134.03789	1.7
135.04535	4.7
137.02428	1.1
149.06070	0.9
155.03494	2.4
156.53128	0.7
160.01671	2.8
161.02444	3.9
173.04544	14.7
177.01942	2.5
178.02748	1.6
179.03499	2.4
191.05603	100.0
192.05945	1.0
215.05585	1.6
227.83064	0.8
323.09256	7.8
329.21988	0.6
341.10394	1.5
351.07162	4.0
515.15405	9.9
515.21814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10865	0.9
59.01378	24.5
69.03451	3.6
71.01012	1.3
71.01381	16.0
73.02946	18.6
81.03435	1.7
83.05027	7.3
85.02951	6.4
87.00883	1.8
89.02440	20.0
93.03455	43.3
99.00866	6.8
99.04522	7.8
101.02412	7.3
111.04527	20.2
113.02432	9.2
119.03477	8.1
129.01991	2.2
129.05588	3.4
131.03554	1.7
131.08260	41.5
135.04555	4.7
137.02441	12.5
143.03493	4.8
145.05049	1.2
155.03505	9.9
156.07765	1.7
161.02403	6.5
161.04570	2.7
173.04547	100.0
173.09245	15.8
173.10443	26.3
174.04868	1.6
179.03479	6.2
179.05577	13.1
191.05609	25.4
192.17961	0.9
195.16071	1.0
323.07642	5.6
341.10886	75.6
342.11197	1.2
353.08856	2.5
420.35605	1.2
515.14105	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	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98826	25.2
69.89159	5.3
71.01374	11.0
72.31512	1.7
73.02946	3.0
85.02927	3.5
87.94440	1.8
89.02439	6.8
93.03448	5.7
95.98421	1.6
96.96020	2.3
97.99557	1.7
98.21880	2.3
99.67767	2.0
101.02437	8.7
110.93363	1.6
113.02455	5.8
113.03572	2.2
119.03542	2.4
131.03551	3.9
131.04648	8.5
132.04602	2.4
134.06165	1.8
147.11832	2.5
161.13361	7.7
171.96758	2.0
173.04517	5.1
179.03418	2.4
181.43599	1.8
185.09712	2.8
185.13391	3.9
187.11279	33.8
203.14415	4.5
205.12340	26.9
217.08749	2.7
220.75659	1.8
229.12350	14.3
243.00117	1.9
247.13390	10.4
249.11334	6.6
251.88498	1.7
259.13367	3.2
265.14322	2.2
266.33035	1.8
287.42905	2.1
309.13403	14.6
321.02686	2.2
351.14487	4.1
383.15030	7.2
411.16559	18.9
453.33823	2.5
471.18457	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	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09046	1.6
59.01377	100.0
69.96610	4.4
69.96946	2.8
71.01382	14.5
73.02929	2.8
75.00901	1.8
83.01388	2.6
85.02934	2.3
89.02451	5.7
95.05054	2.6
98.21922	3.4
101.02426	9.5
102.59550	1.8
103.00372	1.9
107.05045	3.2
113.02477	4.5
119.05987	1.8
127.04031	3.4
131.05042	6.1
132.05383	2.4
133.06552	3.6
135.04503	4.2
139.04024	11.8
146.03738	29.7
147.04100	8.9
148.05280	8.1
148.08925	3.6
149.05746	2.0
161.06035	3.9
161.13353	11.3
163.07625	4.0
173.13332	2.5
175.03897	2.4
177.05579	4.1
179.03523	1.9
185.13393	5.5
187.11272	33.1
190.02698	14.1
191.03279	8.3
192.04147	6.6
193.04596	2.9
201.12698	2.3
203.14410	7.6
205.05042	39.9
205.12309	32.4
206.05386	16.6
207.06662	19.4
208.06950	7.4
219.13910	4.5
222.05132	2.0
223.13541	3.0
229.12279	16.8
237.07658	36.3
238.08011	21.8
241.15128	2.0
247.13405	11.4
249.11209	11.1
265.14359	2.6
267.12521	2.6
277.14197	2.5
309.13589	18.4
351.14581	5.4
381.15460	2.1
411.16495	17.6
471.18491	8.6
514.24243	3.7
515.24707	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	515.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83039	1.3
59.01376	100.0
69.07316	9.2
71.01375	11.1
73.02935	1.7
73.95573	1.2
79.06742	1.3
83.01376	1.6
85.02944	1.8
89.02433	6.6
95.05026	5.4
96.28917	1.2
98.18179	1.2
98.85915	1.2
101.02419	7.4
103.00459	1.4
107.05037	1.6
113.02436	4.1
119.03496	1.4
139.04005	48.5
143.58348	1.4
147.11896	1.5
148.08942	2.3
161.04489	1.4
161.13354	12.4
185.13356	5.3
187.11284	34.9
201.12827	1.8
203.14345	7.0
205.12341	30.5
206.67348	1.4
219.14035	2.4
223.13316	3.1
229.12325	21.6
231.69749	1.4
247.13358	11.1
249.11317	6.3
259.13461	4.3
265.14462	3.8
267.12476	2.3
271.13797	1.4
277.14325	3.2
309.13464	17.4
351.14407	3.9
381.15662	2.7
411.16574	18.2
429.17734	2.5
471.18600	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	515.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25593	2.9
59.01075	5.0
59.01377	100.0
61.98829	41.9
65.69875	2.8
66.24092	2.8
71.01392	10.1
77.08841	2.5
80.07545	2.6
80.81858	2.5
82.95408	5.4
85.02939	3.2
85.73831	3.0
87.05162	2.6
89.02422	4.6
93.03465	4.0
101.02465	6.2
102.72498	2.7
113.02456	6.0
125.02439	3.1
146.06166	4.6
160.84236	3.2
161.13309	6.3
172.07629	3.2
187.11310	11.8
191.05649	11.6
205.12328	19.0
221.11856	5.3
247.13315	4.0
249.11296	4.8
251.13548	2.9
253.51506	3.0
261.95874	3.0
267.12207	4.1
309.13446	11.5
318.78406	3.4
342.06985	3.1
408.92133	2.7
411.16385	5.3
420.95334	3.0
421.66293	2.9
490.81958	3.2
515.27716	4.6
538.70721	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	515.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31300	1.3
54.59581	1.2
59.01383	1.2
61.98839	1.6
62.69911	1.2
65.19522	1.2
69.46591	4.3
69.80490	1.3
79.07352	1.2
81.37877	1.3
89.65904	1.2
93.03457	3.4
98.22626	2.7
106.04247	2.9
107.05033	2.1
109.02962	1.5
121.02945	2.4
122.03735	15.4
123.04515	2.7
135.04529	8.0
136.05273	3.5
137.02414	2.5
137.06041	1.5
149.06059	1.5
157.06551	2.1
171.08099	2.4
172.08942	2.3
173.06090	2.2
176.04723	1.3
187.03850	1.3
199.07648	1.8
213.09117	2.6
214.09904	1.5
215.07062	2.1
216.07721	2.1
225.09235	7.2
239.07190	1.9
240.07927	1.6
241.08601	4.0
243.06639	1.9
255.06551	1.5
255.10222	2.2
256.11017	2.9
257.11871	2.0
258.08737	2.2
273.11316	5.6
293.15463	3.1
295.13245	1.3
297.11481	1.3
307.13641	1.4
317.15741	1.6
335.16513	2.0
337.14395	4.1
347.09164	1.8
361.14444	2.2
362.11957	1.3
379.15506	100.0
380.15744	3.3
382.54416	1.4
479.18735	1.6
497.12903	2.4
497.19693	35.6
507.36530	1.5
515.20294	3.8
516.54706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03441	0.8
58.00588	1.3
59.01379	100.0
60.01710	0.6
61.98847	0.2
64.33643	0.2
71.01381	54.7
71.42099	0.2
72.99303	1.4
73.02961	1.0
76.15837	0.2
83.01383	1.4
85.02950	7.9
85.03468	0.4
87.00870	2.6
89.02444	81.1
89.41700	0.2
90.02758	0.5
91.67509	0.2
95.01390	4.4
97.02942	0.3
99.00854	0.3
101.02443	26.9
107.03506	0.8
113.01837	0.4
113.02448	23.2
119.03504	33.3
125.02441	0.8
131.03500	4.3
143.03505	8.6
149.04556	3.4
161.04559	13.6
162.04881	0.2
179.05608	81.7
180.05902	1.1
191.05540	0.4
192.17331	0.2
281.08759	0.5
434.21594	0.5
515.17834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31793	4.9
59.01374	80.9
61.98828	26.6
62.21461	4.6
69.03461	5.5
70.19230	8.6
71.01378	56.3
71.95398	4.0
73.02944	65.4
81.03481	4.8
83.01388	15.6
85.02965	11.0
87.00890	12.7
89.02447	40.9
89.69686	4.8
93.97259	4.4
96.07619	4.4
97.02952	36.4
98.22610	4.6
101.02442	100.0
111.21718	5.2
113.02458	25.3
115.04008	8.7
119.03482	11.6
131.03488	5.8
135.66718	4.2
139.03975	6.0
143.03481	20.7
152.80069	4.8
161.04559	88.5
179.05591	32.3
191.05551	5.9
221.06731	6.0
222.43114	4.7
263.07739	7.3
273.49460	4.4
341.10156	5.4
369.04279	9.1
401.18051	11.8
433.14606	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	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03434	0.4
59.01378	7.9
61.98833	1.0
67.05527	1.2
68.99808	0.9
69.03450	0.8
69.12792	1.0
71.01383	3.1
73.02944	0.8
75.00873	0.3
80.34253	0.2
81.03458	0.8
83.01389	0.3
83.05013	0.2
85.02946	1.4
87.00882	0.7
89.02433	1.5
90.86960	0.2
93.03452	1.4
95.01388	0.4
95.05025	9.0
96.96014	0.7
99.00872	0.4
101.02436	2.1
109.02909	0.4
111.04505	0.7
113.02464	2.1
113.06071	0.3
116.92849	0.6
119.03495	0.6
124.01646	0.3
135.04518	2.8
139.04010	100.0
140.04291	1.1
143.03558	0.3
152.01122	0.2
152.99559	0.3
153.03064	0.3
155.03516	0.3
155.10953	0.2
161.02472	0.4
161.04564	0.8
161.13307	0.3
173.04538	3.6
179.03481	2.2
179.05663	0.2
185.13474	0.3
187.11337	0.4
189.17775	0.2
191.05597	1.8
195.04114	0.6
205.12405	0.7
206.21690	0.2
212.23322	0.2
213.37968	0.2
229.12277	1.0
318.97314	0.2
353.08765	3.1
354.09119	0.3
401.18073	0.3
515.11823	0.4
515.18567	0.4
517.06830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03447	3.1
58.00593	0.9
59.01377	40.1
61.98824	3.9
67.98216	0.4
69.03445	1.5
69.10128	2.5
71.01378	42.3
72.99299	1.4
73.02943	9.0
75.00875	0.7
79.05530	1.1
81.03444	1.7
82.99693	0.4
83.01389	5.3
85.02949	19.8
87.00877	8.7
89.02443	22.2
93.03402	0.5
95.01381	2.6
97.02952	5.9
99.00875	9.4
99.01519	0.6
101.02438	34.6
104.02699	1.1
109.02967	0.5
111.00882	4.0
111.04478	0.4
113.02448	21.8
115.03958	0.6
118.04245	0.4
119.03497	10.8
125.02440	10.3
125.31487	0.4
127.04007	0.6
129.01944	0.7
129.07050	0.7
130.04228	5.1
131.03508	4.3
135.04510	1.8
137.02480	0.6
139.03964	0.5
141.01932	1.5
143.03513	15.0
145.05118	1.0
145.06447	0.5
145.10246	3.9
149.04611	0.8
155.08682	1.7
157.06581	6.6
158.07333	0.8
159.03000	2.0
161.04561	26.6
171.08116	1.5
173.04512	0.7
173.09694	5.5
179.03485	3.0
179.05627	6.4
185.04445	0.7
191.05719	4.6
191.10776	100.0
192.11148	1.7
203.05540	2.6
221.06660	20.5
235.08189	1.1
245.06635	18.0
263.07700	19.4
266.73758	0.5
280.02905	0.4
287.07675	1.5
305.08777	2.5
323.09821	19.8
353.08713	2.0
353.15875	0.6
515.21381	1.3
529.17041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66356	2.4
53.15923	2.3
56.01974	2.7
59.01379	100.0
61.98832	37.2
69.68775	9.3
71.01379	55.4
73.02933	10.0
83.01376	3.3
85.02953	13.3
87.00868	6.0
89.02443	82.2
95.01382	4.2
98.21906	4.7
98.90336	2.5
101.02441	77.3
113.02449	30.1
119.03494	31.2
121.02959	3.3
123.32904	2.6
131.03462	6.7
139.03993	15.1
143.03482	8.1
149.04643	2.9
161.02437	6.2
161.04523	19.5
167.53044	3.3
173.04533	3.2
179.05612	91.0
191.05574	5.0
195.85823	2.7
221.06699	26.7
255.75810	2.6
353.10071	5.1
492.17267	3.3
515.16345	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31793	4.9
59.01374	80.9
61.98828	26.6
62.21461	4.6
69.03461	5.5
70.19230	8.6
71.01378	56.3
71.95398	4.0
73.02944	65.4
81.03481	4.8
83.01388	15.6
85.02965	11.0
87.00890	12.7
89.02447	40.9
89.69686	4.8
93.97259	4.4
96.07619	4.4
97.02952	36.4
98.22610	4.6
101.02442	100.0
111.21718	5.2
113.02458	25.3
115.04008	8.7
119.03482	11.6
131.03488	5.8
135.66718	4.2
139.03975	6.0
143.03481	20.7
152.80069	4.8
161.04559	88.5
179.05591	32.3
191.05551	5.9
221.06731	6.0
222.43114	4.7
263.07739	7.3
273.49460	4.4
341.10156	5.4
369.04279	9.1
401.18051	11.8
433.14606	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	515.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
69.03442	1.2
70.15829	1.0
71.01386	4.5
83.05031	0.8
85.02961	2.0
87.00872	1.5
89.02457	5.2
92.36504	0.4
93.03470	1.3
96.96029	1.4
97.02991	0.6
101.02460	2.7
111.04508	1.6
113.02464	2.1
114.05633	1.2
119.03487	1.5
122.08124	0.5
129.05574	1.7
131.08266	100.0
132.08603	1.0
133.02943	0.9
135.04517	1.6
138.00029	0.5
145.09915	0.5
151.86894	0.5
155.03510	1.2
156.07806	5.1
161.02448	7.4
173.04581	8.1
173.10434	86.4
174.10733	1.0
179.03514	1.6
179.05534	2.5
191.05608	17.3
199.00987	0.8
254.22508	0.5
323.07657	7.3
341.03586	2.8
341.10977	12.8
353.08865	1.1
355.11163	0.8
413.66052	0.5
515.14130	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	515.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66749	0.3
61.98830	100.0
65.50433	0.3
67.64705	0.3
68.24885	0.3
78.95909	0.5
85.99222	0.3
93.75442	0.3
98.21862	1.0
137.06142	0.3
152.99568	0.4
195.11176	0.3
205.82803	0.3
279.23401	0.4
282.13947	0.3
308.41449	0.3
514.97803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3011
Annotation	Probucol
Peak:m/z	Relative Intensity
59.01372	2.6
69.46234	2.5
71.01370	0.8
78.95898	16.4
89.02445	1.0
91.04021	0.8
96.96986	2.3
115.92076	1.4
116.92853	1.1
117.03458	22.7
118.04263	1.8
119.05019	11.3
121.02943	1.7
132.05658	0.7
145.02946	100.0
146.03325	0.9
152.99582	28.1
163.03993	6.2
171.00641	1.6
279.23236	3.4
295.22705	7.8
355.26398	8.6
379.26334	0.7
423.25381	26.6
424.26065	0.8
433.23508	7.2
441.26495	18.4
442.26614	1.0
515.30115	45.1
516.30609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85831	0.2
55.01876	0.3
57.10393	0.2
59.01378	5.3
60.53727	0.2
61.98813	0.3
71.01379	3.3
73.02937	0.7
75.00883	0.4
83.01375	0.5
85.00450	0.2
85.02955	0.9
87.00863	0.5
89.02440	3.1
89.39707	0.2
95.01380	0.3
99.00826	0.2
101.02448	3.8
113.02478	1.7
119.03471	0.9
133.05112	0.3
143.03503	0.3
150.85904	0.2
161.04527	1.5
163.24989	0.2
165.06281	0.2
179.05550	0.5
235.08257	1.2
248.81528	0.3
253.09280	14.1
254.09621	0.4
261.22275	0.4
279.23276	100.0
280.23654	3.3
521.08325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.3
61.98828	100.0
71.01389	2.1
73.02948	0.9
85.02934	1.2
92.64075	0.5
93.03464	0.8
95.72761	0.6
101.02460	1.0
109.02965	5.0
113.02473	1.0
121.02993	1.4
135.04524	6.6
137.02496	0.6
139.04002	3.1
146.03741	1.3
147.04466	1.5
149.06065	0.9
159.04521	6.1
163.04012	1.2
173.04720	1.2
173.06113	3.2
175.07658	1.0
176.04802	2.7
187.07681	1.9
188.04840	1.8
189.05630	1.5
190.10001	0.8
191.05710	1.6
199.07687	1.0
200.04771	1.2
205.08717	6.9
209.11858	1.6
214.06393	1.0
215.07150	4.7
216.07867	0.9
217.08696	14.3
226.06396	2.0
229.08678	4.1
239.07306	0.7
243.10307	1.1
255.10240	8.8
268.07526	0.8
292.07550	1.4
301.18091	0.8
321.11331	3.4
347.12973	1.5
365.13937	20.5
366.14365	0.7
409.13110	1.5
453.11807	1.5
515.32031	0.9
516.11639	1.7
516.27539	1.1
517.30603	1.0
539.07660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00682	0.6
54.44341	0.5
59.01378	7.6
61.98828	100.0
70.02940	0.5
71.01392	0.7
74.05698	0.7
107.74285	0.7
113.03588	0.7
132.02177	0.6
137.52036	0.6
146.03792	0.8
146.06155	1.1
146.08220	3.0
153.98787	0.7
160.01669	3.5
173.03847	0.6
175.03983	7.6
191.05679	1.0
205.05064	0.9
206.05489	0.6
217.11813	0.7
238.08093	0.7
252.06992	1.0
254.50853	0.6
277.12207	2.8
453.17426	3.6
516.25342	0.7
540.54102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82859	0.3
59.01374	1.2
61.98829	100.0
63.99253	0.6
66.65342	0.2
68.99154	0.2
69.62115	0.3
69.63348	0.8
70.67752	0.3
71.01376	0.5
95.97976	0.3
104.32416	0.3
113.02426	0.4
120.99685	1.7
173.04541	0.3
191.05655	0.3
255.02846	0.3
263.89542	0.3
300.02911	0.3
453.17715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70616	1.2
59.01373	11.5
61.98800	4.9
71.01344	3.9
72.00906	19.3
73.02905	1.5
85.02920	2.2
85.70146	1.4
87.00841	1.5
89.02402	3.6
93.03429	1.7
100.23286	1.1
101.02439	2.9
108.02190	1.9
113.02386	2.5
123.04446	4.3
129.99904	2.3
131.08212	5.2
132.08543	2.0
135.04451	5.3
136.04803	2.7
138.99898	3.7
147.04510	54.4
149.01904	1.2
161.02357	2.5
162.02740	1.5
163.86113	1.1
164.07156	72.9
166.08484	1.2
167.03474	8.5
173.04533	2.3
173.10321	4.9
174.10663	2.7
179.03499	11.3
180.03748	4.6
184.98988	1.7
185.00523	27.8
191.05598	9.0
192.05830	4.6
205.61646	1.5
207.52878	1.2
277.06717	4.5
336.17764	3.6
361.92834	1.5
498.22827	4.1
516.19427	100.0
517.19910	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	516.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.58521	1.1
63.24081	1.1
69.17728	6.8
88.13390	1.2
89.99737	1.3
98.21869	2.7
110.34393	1.3
122.61661	1.2
168.69527	1.1
218.27480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03451	1.5
58.02953	0.8
58.23018	0.6
59.01374	4.3
61.98817	1.3
66.03494	0.5
71.04999	0.8
73.02944	2.0
73.04060	2.1
74.02472	4.0
80.91679	8.8
82.95424	0.8
85.02937	1.4
85.04072	0.6
87.04559	0.6
87.05630	1.8
96.04538	0.7
98.03754	1.3
98.22620	1.1
99.00639	2.2
99.92576	0.8
104.03529	3.0
109.02969	0.8
109.06568	1.0
111.04504	0.8
112.01649	2.0
112.04031	0.8
113.02451	6.7
115.04005	1.1
115.08755	1.0
115.92086	0.6
121.06528	0.6
122.09780	1.4
123.04543	0.6
124.01711	0.6
125.02434	2.5
125.07188	0.5
126.05702	0.6
126.06706	1.4
127.04008	2.8
127.05116	0.7
128.03532	0.6
129.06697	3.5
129.10329	0.6
130.08749	2.4
135.08147	1.2
138.03239	2.1
139.00366	1.0
139.04001	8.1
140.07159	1.2
141.06645	0.5
143.11896	1.8
144.00696	0.6
144.07790	4.3
148.07722	1.3
150.03242	1.8
150.06836	1.0
151.03955	0.8
155.11923	3.2
161.09755	1.1
163.07655	0.6
166.08740	2.1
168.07768	3.8
169.09726	0.7
172.10977	0.8
175.11305	0.7
184.07224	0.6
186.08826	7.8
187.10869	0.8
191.05630	1.2
204.13818	0.8
211.14503	2.0
216.09897	0.7
216.13799	1.0
242.15506	2.2
242.18777	3.7
254.18668	2.4
258.14972	0.8
258.18564	0.8
260.12976	1.5
260.16602	1.0
268.16882	0.6
272.16641	1.2
272.19788	0.9
284.16568	0.6
284.29935	0.6
296.20099	1.3
298.17545	0.6
299.20667	1.0
302.14145	1.1
302.17514	7.5
306.23392	0.6
312.15588	0.6
314.21124	1.6
314.24603	0.6
318.17038	0.5
335.78345	0.6
340.19119	2.9
358.20242	8.8
372.21732	1.7
380.17084	1.4
390.22852	1.7
399.22656	0.8
402.19217	4.2
412.25580	0.7
416.20734	6.4
424.25638	1.2
434.21790	100.0
435.22101	4.6
456.18909	1.1
456.24719	3.7
468.24454	0.7
486.25558	9.4
498.25650	2.3
516.27374	28.0
517.27539	0.9
529.24249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03434	0.8
59.01376	18.1
59.45068	0.4
61.40767	0.4
61.98828	2.2
63.38523	0.4
69.41899	1.9
71.01013	0.7
71.01379	10.6
71.05029	0.4
71.99330	0.3
72.99304	0.5
73.02943	5.2
73.16481	0.5
76.33478	0.4
78.91895	0.4
82.95420	4.5
83.01377	1.6
84.95107	1.6
85.02947	4.5
87.00863	1.6
89.02446	6.1
93.03466	0.6
95.01353	0.7
96.96060	0.4
97.02930	0.7
99.00861	1.1
101.02447	6.5
108.08560	0.4
111.04544	0.5
112.04034	0.5
113.02441	3.1
113.09754	0.4
115.03990	1.7
119.03484	1.9
128.03519	0.5
134.03729	0.7
135.04510	1.2
136.04855	0.8
138.05585	1.1
160.01634	0.9
166.08615	0.7
169.08742	0.6
173.04500	1.3
174.04890	0.6
175.03915	0.7
179.03383	0.8
180.03920	0.4
191.05577	1.6
191.91801	0.4
193.05106	0.5
230.19012	0.5
244.97610	0.4
248.20038	0.6
262.99286	0.5
274.18127	1.4
292.19092	2.6
304.04575	0.4
310.20209	1.5
336.18103	2.0
341.08569	0.5
341.62555	0.4
343.14560	0.4
354.09396	0.6
354.19186	3.4
427.54318	0.5
432.21628	1.3
436.23700	0.7
454.24460	2.4
472.25278	2.8
498.23410	2.4
516.24457	100.0
517.24799	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	516.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	3.0
59.01367	0.9
61.98833	0.6
66.03481	0.6
69.16692	3.2
72.00897	1.6
73.04086	3.1
74.02470	13.8
82.06615	0.9
84.04503	0.5
85.04058	0.9
86.02477	3.0
87.05634	8.4
87.26092	0.5
99.05610	1.0
101.07231	0.9
104.03532	11.4
110.02483	4.1
111.01999	1.2
111.05602	0.8
111.37354	0.6
112.02774	0.8
112.04053	1.4
113.02464	0.8
115.08755	4.8
116.07150	0.6
125.07208	1.9
126.06751	5.2
126.09196	1.0
127.05169	1.4
127.08673	0.6
129.06715	10.7
129.10304	0.7
130.05103	0.8
130.08734	3.6
137.07188	2.1
138.29224	0.6
139.05144	0.5
139.08777	0.8
140.07175	3.2
141.06694	1.3
141.10376	0.5
143.11900	7.2
144.07784	19.7
153.10327	1.3
154.09842	1.3
155.08284	1.8
155.11897	10.1
156.07825	0.7
158.09352	0.7
167.08250	1.3
168.07759	10.9
169.06200	1.1
169.09795	1.7
170.09280	0.8
171.11369	1.3
173.12959	1.7
180.07790	0.7
181.13467	1.5
183.15002	2.9
185.16534	1.1
186.08829	23.5
187.10857	2.9
191.05624	0.7
194.11774	1.1
198.08850	1.3
198.12482	0.9
200.14000	1.1
207.14975	0.8
211.14519	6.8
212.10454	1.1
216.09897	3.8
225.13496	1.1
229.15364	0.6
242.18736	12.0
243.14590	0.6
254.18729	8.5
267.14615	1.6
268.16647	1.2
272.19806	2.2
286.17773	0.8
299.20746	2.7
302.17615	0.9
311.20917	2.8
313.22452	0.7
323.20609	0.8
329.22058	0.8
343.19809	1.1
355.20026	0.8
370.24570	2.3
382.24548	2.1
399.22461	3.3
411.22482	0.7
412.25754	1.2
424.25494	4.6
429.23688	1.9
434.21848	3.0
442.26743	0.7
456.24637	11.4
468.24466	2.1
481.43793	0.7
486.25668	35.7
487.25723	1.3
498.25635	7.2
516.26727	100.0
517.27173	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	517.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18649	0.7
53.64592	0.5
59.01377	74.9
61.98817	1.5
71.41761	0.6
71.69466	0.6
102.39721	0.6
103.49736	0.6
119.79083	0.7
132.98264	1.2
156.99919	1.5
157.03624	0.6
159.01518	0.9
174.99242	32.0
201.02534	18.5
202.02733	2.5
217.00284	100.0
218.00626	1.2
219.95485	0.7
231.01866	0.8
246.50075	0.7
276.98019	0.6
327.70230	0.7
343.03683	3.6
344.04013	1.2
359.01443	14.5
360.01666	1.0
374.99182	61.6
375.99557	1.1
516.96564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37473	1.2
58.11863	1.3
59.01373	1.7
62.29768	1.3
65.05457	1.5
69.03454	2.7
69.99555	3.7
85.02961	4.6
87.04503	1.5
100.27754	1.3
115.04001	3.6
124.22417	1.2
130.08771	1.9
139.69313	1.2
140.49297	1.3
144.54088	1.3
158.99744	2.1
159.02962	3.2
161.01288	1.6
170.99742	11.0
173.01331	17.2
211.02881	8.2
213.04448	6.1
214.98737	37.9
217.00325	2.7
227.02354	3.9
229.03963	7.6
239.02385	5.9
241.03903	13.4
251.02203	4.1
257.03278	2.9
259.04926	15.4
293.26108	1.3
295.01349	3.5
313.02319	7.7
357.01382	100.0
358.01691	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	517.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66699	2.8
54.82175	2.9
66.43260	2.5
70.62590	4.1
73.94118	2.5
85.02947	8.2
87.00888	5.3
111.92413	2.8
113.02440	5.0
115.04003	3.9
136.04852	2.9
158.99738	4.5
159.02986	5.1
170.99751	8.4
173.01297	19.6
173.04570	5.1
174.41351	2.8
175.02483	6.5
179.03484	6.2
191.05621	5.7
196.98599	3.4
211.02893	7.8
213.04471	8.9
214.98747	39.5
227.02483	3.0
229.03903	7.1
241.03990	13.5
243.99959	2.8
251.02316	3.7
257.03418	2.7
259.04980	14.6
307.30603	2.9
313.02466	10.6
357.01361	100.0
517.14209	7.9
519.89246	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	517.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01379	20.3
61.98819	1.4
64.99912	0.4
69.03448	0.8
71.01379	9.1
72.99306	0.6
73.02948	1.0
75.00872	0.5
82.95415	1.4
84.93874	1.9
85.02949	2.0
87.00870	1.2
87.04565	0.4
89.02444	9.8
95.01392	0.7
96.96001	1.5
98.22620	0.8
98.95570	0.8
99.00854	0.5
99.92580	11.5
100.93362	14.7
101.02445	4.5
106.43489	0.3
113.02448	8.2
114.94906	0.4
115.92078	18.9
116.92858	100.0
117.92899	1.9
117.93629	0.6
119.03487	4.2
121.06550	0.3
131.03503	1.0
135.04530	1.0
139.04015	0.5
140.92885	0.4
141.93623	0.4
142.94434	1.8
143.03506	1.4
149.04565	0.6
151.03932	0.4
153.09215	0.4
154.94398	0.5
156.92348	0.8
158.93866	0.9
161.04509	2.2
165.09274	0.3
167.03459	0.6
170.70805	0.5
173.04562	0.4
179.05626	7.1
184.91843	1.9
191.05618	1.3
196.95589	0.5
205.12344	1.0
220.70247	0.4
241.14381	0.5
271.48135	0.4
359.17072	0.4
362.96863	0.4
377.07050	0.5
385.18887	0.5
395.07941	2.4
403.19803	2.0
413.08981	2.8
419.49582	0.4
431.10138	3.1
437.09006	1.8
455.10175	2.5
473.11240	4.9
481.08197	1.7
517.10260	16.0
517.22748	1.5
517.30072	0.5
518.10950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31851	1.0
59.01383	5.7
59.24730	1.2
61.98822	2.6
69.24280	3.2
69.33235	1.2
71.01382	1.5
84.95119	3.2
191.05589	1.2
198.06836	1.2
207.10219	1.7
253.08711	4.2
254.09479	46.7
255.09869	6.7
269.11819	100.0
270.12131	23.5
277.25125	1.2
517.30157	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	517.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	69.1
61.98825	37.0
69.23679	40.5
71.01375	35.2
73.02937	12.1
83.01387	8.7
84.95130	19.5
85.02966	15.3
89.02448	18.2
94.28235	7.6
96.96025	16.1
99.12859	8.3
101.02476	18.9
106.04177	7.7
113.02474	18.5
118.35804	6.6
137.02397	10.1
161.02440	12.5
173.04567	8.6
174.33279	8.4
185.18193	7.7
185.79572	7.9
191.05592	12.2
216.69861	6.8
273.11331	11.6
286.06610	32.9
298.12158	8.8
301.09097	43.1
301.14334	11.8
435.04434	9.2
435.16425	12.7
481.20651	100.0
517.18628	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01078	5.2
59.01377	100.0
61.98825	14.2
68.46693	3.1
69.03457	4.4
69.35870	8.6
69.36263	6.5
71.01383	84.1
71.50813	3.0
71.61122	2.9
73.02946	21.9
73.39338	3.6
77.29644	3.1
78.91859	8.3
81.03468	4.5
83.01383	7.9
84.80027	2.8
85.02962	10.8
87.00859	6.5
87.91685	2.7
88.62914	2.8
89.02444	84.7
89.03011	4.1
92.90250	2.7
93.03455	4.0
95.01382	3.9
96.96003	30.1
97.02946	10.7
99.00878	8.6
99.04465	3.6
99.05682	4.0
101.02444	28.9
113.02447	18.0
115.03989	5.2
116.92860	6.1
123.04545	5.1
125.02443	35.2
128.03517	7.5
131.03484	11.7
135.04506	7.8
142.87593	5.1
143.03529	6.8
143.04601	8.1
148.05302	42.1
149.04553	19.2
152.01163	5.4
161.02350	4.5
161.04559	7.8
161.13409	3.6
163.04001	17.3
163.07648	14.4
167.03429	5.7
167.07170	7.4
173.04474	7.6
178.06384	22.3
179.03470	3.8
181.05019	4.8
191.05620	13.6
193.08673	22.4
196.92545	2.9
199.06004	4.1
233.06673	29.2
242.90913	6.0
264.16388	3.3
272.08743	3.9
283.90253	3.6
293.05469	3.5
293.08777	68.3
306.07559	17.3
385.13406	4.0
473.14932	21.9
481.12912	4.0
489.81955	3.7
517.19550	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03434	0.6
59.01378	9.6
61.98824	0.3
64.08204	0.2
67.05515	0.9
68.99815	0.9
69.03453	0.5
70.40649	0.3
71.01381	2.7
73.02943	0.7
81.03457	0.8
85.02940	1.1
87.00873	0.6
89.02445	1.7
93.03460	0.6
95.01425	0.3
95.05023	8.3
96.96008	2.1
101.02441	1.4
109.02966	0.4
111.00871	0.3
111.04540	0.3
113.02467	1.5
113.06096	0.3
114.93396	0.5
115.04030	0.3
119.03519	0.5
124.01685	0.4
135.04588	0.3
139.04013	100.0
140.04346	1.0
148.60101	0.2
161.04539	0.5
173.04625	0.3
179.05525	0.3
191.05627	0.2
192.03957	0.2
201.04053	0.8
201.96971	0.2
205.08763	0.2
210.24118	0.2
241.08701	0.6
268.62033	0.2
355.24905	0.3
397.22949	0.2
403.19638	0.5
415.23651	0.3
457.28485	0.3
461.12299	0.2
517.31036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03443	2.1
58.00601	1.5
59.01379	100.0
60.91728	0.7
61.50513	0.8
61.98836	1.1
69.03453	5.9
69.17951	1.2
69.18369	2.8
71.01381	47.0
72.99284	1.0
73.02953	3.7
83.01394	2.4
85.02953	8.7
87.00888	2.7
87.30173	0.6
88.35694	0.6
89.02443	62.9
93.03485	1.4
95.01404	2.8
96.96010	1.8
98.21870	1.3
99.92580	1.4
100.93382	1.3
101.02441	24.9
107.03561	0.8
110.80539	0.6
113.02448	45.8
115.71447	0.6
115.92147	0.9
116.92852	7.5
119.03497	23.8
122.03721	0.8
125.02464	0.8
131.03490	4.9
135.04568	2.5
139.04089	1.4
143.03510	6.0
149.04596	2.4
161.04546	9.9
165.09171	6.9
173.04568	1.5
179.03784	1.5
179.05608	28.0
190.05077	0.7
191.05693	2.7
196.68669	0.6
223.13467	1.0
355.09296	1.5
403.19946	6.2
457.24829	1.4
517.10938	1.5
517.22809	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	517.257
Annotation	Xyloketal J
Peak:m/z	Relative Intensity
59.01359	3.0
61.98787	3.6
69.16804	6.8
69.17215	7.4
72.55796	2.2
72.73690	2.0
80.59864	2.2
82.60230	2.3
96.89835	2.2
98.22598	6.1
111.61038	2.1
119.53889	2.2
154.02563	2.1
156.79141	2.5
177.31947	2.2
197.02191	7.8
199.63818	2.4
217.00400	4.0
220.00655	2.3
319.22729	100.0
320.23175	3.7
429.98895	2.3
448.78452	2.6
517.25488	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19419	0.5
57.03447	1.5
59.01377	100.0
60.01712	0.5
61.98836	3.7
61.99118	0.5
64.65624	0.5
69.03435	0.8
69.07365	3.0
71.01376	11.4
73.02942	4.8
81.03506	0.7
82.95421	1.6
83.01411	1.6
83.05040	0.8
85.02944	4.0
87.00876	2.0
87.04525	0.9
88.98844	0.5
89.02443	10.1
93.03497	1.6
94.03802	0.6
95.01424	0.7
96.96022	1.2
99.00883	0.8
99.92588	0.7
100.93339	0.6
101.02437	8.3
102.66290	0.6
111.04537	0.9
113.02456	8.8
113.03235	0.5
115.92110	1.1
116.92863	3.5
119.03506	3.5
127.03956	0.7
129.04094	0.5
131.03548	0.9
135.04527	3.4
136.04912	1.6
139.04036	1.9
143.03542	1.6
153.09198	0.9
161.04553	3.4
161.09811	0.7
173.04539	3.5
174.04912	1.5
175.05157	0.9
179.03525	1.8
179.05627	2.6
179.57310	0.5
180.03879	1.4
187.11281	0.7
190.05176	1.4
191.05548	2.5
192.05992	0.6
205.12416	1.5
223.13441	0.9
249.11534	0.6
354.09192	1.5
355.09131	2.7
358.03751	0.6
385.18851	0.9
397.22321	0.9
403.19882	3.1
415.23688	1.3
457.24408	4.4
473.23947	0.6
504.65286	0.6
517.10938	1.2
517.23041	4.2
517.30414	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	517.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03447	0.6
58.46587	0.3
59.01377	33.7
61.98823	0.4
69.03452	0.5
70.29658	0.3
71.01376	14.1
72.99319	0.6
73.02940	11.6
75.00899	0.4
83.01389	2.2
85.02947	4.4
87.00879	2.6
89.02438	5.7
91.91295	0.2
95.01394	1.2
97.02969	0.5
98.21800	0.6
98.27156	0.3
99.00883	1.2
101.02435	10.1
101.03098	0.5
111.00900	0.4
113.02440	5.7
119.03503	1.6
124.01672	0.5
125.02433	0.5
131.03578	0.3
140.28954	0.2
142.02727	0.4
143.03542	0.6
169.12340	0.7
183.97974	0.3
201.64923	0.2
241.08662	0.5
277.21732	0.6
295.22748	14.1
296.23099	0.4
297.24295	4.3
313.23816	9.0
325.23999	0.4
457.28052	6.3
458.28320	0.4
475.29074	17.8
476.29221	0.6
517.30115	100.0
518.30371	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	517.3167
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
58.95693	0.2
59.01377	5.6
61.98824	0.5
65.22070	0.3
69.93230	0.8
71.01376	1.1
89.02428	2.2
91.04000	7.8
92.65237	0.3
93.34677	0.3
101.02428	0.5
117.03464	21.0
118.04265	2.2
119.05022	11.5
120.50543	0.3
121.02960	1.4
132.05772	0.6
133.02956	0.4
143.86261	0.3
145.02946	100.0
146.03293	1.7
152.99521	0.5
162.03278	0.4
163.03999	5.7
176.45808	0.3
227.67883	0.3
253.09334	0.8
279.23312	0.6
280.23608	0.8
281.24826	8.9
297.24313	7.0
298.24527	0.4
307.30057	7.0
351.24945	0.4
351.29022	4.4
357.27936	7.7
358.28339	0.4
369.30090	4.2
381.27997	1.0
414.52899	0.3
425.27029	24.0
425.32703	2.8
426.27182	1.2
443.27905	17.7
443.33774	4.1
444.28055	0.9
448.25348	0.4
505.51437	0.3
517.31677	48.9
518.32050	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	517.374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
58.00588	1.0
59.01375	43.6
60.78861	0.2
69.03483	0.4
69.05894	0.6
69.06295	1.1
71.01376	7.3
72.99308	1.0
74.01264	0.3
88.02049	0.3
89.02026	0.3
89.02438	21.4
91.04002	80.3
118.79347	0.2
134.45403	0.3
186.52361	0.3
279.26913	0.5
299.18570	0.3
305.28409	1.9
307.30032	100.0
308.30331	4.0
325.31018	1.4
351.29004	49.8
352.29330	2.3
369.30051	55.8
370.30420	2.7
425.32690	31.3
426.33102	1.2
443.33722	52.6
444.34061	2.8
445.20074	0.3
520.87854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11431	0.2
55.29524	0.2
57.03445	1.0
58.00592	1.1
59.01378	39.2
60.01706	0.3
69.03468	0.3
69.06254	1.8
71.01379	7.5
72.99310	1.0
75.06857	0.2
75.16334	0.3
78.95924	0.6
89.02441	20.3
90.10522	0.3
91.04005	82.3
92.04328	0.6
104.00315	0.3
109.01678	0.3
145.02936	0.7
152.99554	0.9
227.59566	0.3
279.26910	0.9
280.23624	0.5
305.28406	2.0
307.30045	100.0
308.30426	3.6
325.31122	1.5
351.29013	52.2
352.29340	1.7
369.30066	56.2
370.30447	2.6
425.32712	35.5
426.33157	1.5
443.33749	58.8
444.34140	2.5
501.96753	0.3
504.40305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98826	100.0
63.99258	0.6
69.31097	1.4
70.99456	0.4
71.01380	0.4
73.02978	0.4
82.95413	1.4
85.02944	0.3
89.02455	0.3
101.08159	0.3
113.02458	1.0
139.06404	0.3
141.22592	0.3
146.03764	0.8
146.06184	0.3
161.06096	0.3
164.04816	0.5
179.07106	4.6
243.98729	0.3
449.12894	0.3
518.23047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.4
59.22260	0.6
66.03499	1.1
67.65334	0.7
68.05040	1.8
69.03436	2.2
69.17082	3.5
72.00905	15.1
86.06082	0.9
87.00880	1.5
102.02273	0.7
112.22310	0.8
113.02469	5.2
114.05600	13.3
130.05099	1.8
140.03537	1.2
144.59793	0.9
158.04585	100.0
159.04900	0.8
176.05638	78.9
214.97028	0.7
257.14612	0.9
257.45300	0.8
275.60895	0.7
302.90292	0.8
533.25037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81418	0.5
53.94133	0.5
57.03440	6.0
58.34820	0.5
66.03482	1.7
68.05051	1.8
69.03106	0.5
69.03430	3.1
72.00497	0.9
72.00902	15.5
83.97162	0.5
85.02979	1.0
87.00861	5.7
87.04499	0.8
88.01214	0.6
112.04047	0.8
113.02454	4.2
114.05598	15.0
130.05098	2.2
140.03481	1.4
142.31700	0.6
158.04568	100.0
159.02977	1.4
159.04829	0.9
175.02444	1.8
176.05620	64.0
187.37852	0.5
273.41898	0.6
325.05023	0.6
352.17966	0.6
358.28842	0.5
368.97665	0.7
401.62070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01377	42.6
60.01730	0.4
61.98828	100.0
69.03436	0.4
69.16442	1.5
69.16850	0.6
71.01380	8.6
73.02945	13.5
83.01390	3.2
85.02924	2.3
89.02441	4.7
95.01404	0.6
98.21896	0.7
99.04508	2.3
101.02439	14.4
113.01714	0.5
113.02458	7.0
114.02753	0.3
119.03489	2.7
125.02420	0.6
131.03479	1.4
137.09711	2.9
139.04044	3.0
140.04349	0.4
143.03500	2.3
149.04555	2.4
155.03610	0.4
161.04556	6.7
179.05508	0.7
189.12752	0.9
191.05513	0.6
203.05556	0.5
221.06693	2.0
242.08260	2.0
243.08534	0.4
295.12897	0.4
399.18405	0.4
411.19894	0.5
518.25580	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	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64139	0.3
57.03451	0.6
59.01377	48.9
60.01713	0.7
61.98827	100.0
69.34512	1.4
71.01377	8.3
72.99284	0.4
73.02943	12.3
81.03468	0.3
83.01387	3.5
85.02961	2.2
86.47394	0.3
87.00875	0.5
88.04064	0.3
89.02444	4.3
89.12862	0.3
93.03459	0.4
94.39511	0.3
95.01393	0.8
97.02972	0.3
98.22620	0.7
99.00926	0.4
101.02441	14.2
113.01709	0.5
113.02451	7.2
119.03513	2.8
125.02428	0.3
131.03473	1.2
137.09705	2.8
139.04001	0.7
140.04305	0.4
143.03519	2.0
149.04538	3.1
155.03465	0.4
161.04558	6.8
179.05547	0.7
189.12831	0.6
189.88414	0.3
191.05638	0.3
203.05518	0.9
207.13837	0.4
221.06696	1.8
411.19867	0.8
518.22998	0.4
539.30084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69862	1.2
59.01356	1.6
61.98824	11.9
70.90565	2.2
71.01363	2.0
78.95890	9.1
112.05170	2.9
123.00893	6.0
130.06232	7.9
136.04057	2.3
137.02444	1.2
138.03241	12.8
139.00403	2.0
147.04485	2.2
152.44031	1.3
152.99599	19.9
153.05573	15.5
164.07158	4.2
167.02216	4.4
179.02242	9.9
180.03001	7.3
181.03658	2.7
182.04572	11.8
194.02835	2.0
194.04582	31.0
196.06171	6.3
207.05122	1.3
208.85364	1.1
209.03267	2.6
210.04120	1.8
210.07774	2.1
222.07793	1.4
224.05592	5.7
226.21744	3.2
237.97206	1.5
238.07230	2.6
259.13022	1.3
277.21826	1.6
322.24811	1.6
433.23615	3.2
482.31216	100.0
483.31314	3.1
488.31494	10.2
518.21631	3.3
518.32782	8.7
537.07617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46156	0.3
66.03482	1.2
67.01853	0.4
73.81709	0.3
84.04545	0.7
96.04568	1.8
97.04081	0.4
98.06107	0.5
103.84870	0.3
107.75892	0.4
109.07727	0.5
110.05038	0.3
110.06114	0.4
111.05594	0.5
112.04088	0.6
112.07661	0.7
113.07214	5.0
114.05609	7.1
116.32582	0.3
122.06136	0.4
123.05626	0.8
124.02779	3.6
124.04054	4.8
129.10321	1.0
130.08736	0.7
132.08177	1.0
137.03535	0.5
137.07191	0.5
138.09233	0.8
139.05122	0.8
139.08775	5.6
140.07184	3.1
144.24792	0.4
152.05905	7.0
153.06693	1.4
153.10347	1.3
155.11879	1.2
164.07153	1.3
165.06688	21.4
165.10358	1.0
166.07054	0.3
166.12346	1.1
167.04640	4.6
177.10231	0.5
181.09825	7.2
181.13354	0.4
191.11894	0.7
193.09819	13.0
207.07806	0.4
207.11397	1.1
209.12955	41.8
210.13319	1.1
211.10838	1.2
223.10925	1.6
226.15547	0.4
227.13956	0.5
236.13992	1.4
237.08893	0.4
246.15923	0.5
260.17664	0.6
278.18710	0.6
288.17123	0.7
306.18240	1.3
327.92258	0.4
333.19183	0.5
413.79782	0.4
474.30734	0.5
518.29822	100.0
519.30176	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	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05515	1.0
97.07855	1.0
121.02955	72.9
122.03272	1.5
122.93121	0.9
132.79959	1.0
142.98283	1.0
150.14690	1.0
155.03998	1.0
165.01924	100.0
180.04208	1.3
191.05612	7.9
195.06633	3.6
243.08704	1.6
353.08621	1.8
549.79517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01379	8.0
61.98817	2.6
65.00333	0.6
69.03449	0.6
71.01380	3.7
73.02968	0.8
83.01387	0.9
85.02950	1.0
87.00882	0.6
89.02442	3.9
92.66228	0.4
93.03479	0.7
95.01434	0.4
101.02452	2.1
107.01415	1.4
108.02184	0.6
109.02959	0.8
113.02447	4.8
119.03509	1.4
137.02423	0.8
145.02957	1.4
147.00870	0.4
151.00360	5.6
151.01501	0.4
155.05026	0.6
156.06410	0.4
157.03012	0.7
159.04610	0.5
163.00317	0.5
167.04976	0.4
171.04498	1.1
179.05634	2.0
182.03749	0.5
183.04474	2.6
185.02438	0.4
187.04083	1.0
199.03989	6.8
201.01900	0.7
203.03526	0.7
211.04102	0.7
215.03506	2.0
226.02701	0.5
227.03488	6.6
242.02242	1.9
243.02962	23.4
244.03603	1.7
254.02316	0.6
255.02983	17.7
256.03543	0.7
257.04565	2.1
259.06088	0.6
270.01648	1.8
271.02475	39.6
272.03180	3.7
285.04034	4.1
286.04871	1.4
287.05566	1.4
299.01962	67.5
300.02707	25.3
301.03159	0.7
313.03586	0.6
313.11334	0.5
314.04312	55.4
315.05087	100.0
316.05460	2.8
331.17923	0.6
357.06119	0.5
357.09732	2.3
405.21344	2.8
410.04770	0.4
477.09448	0.5
519.11389	52.5
519.31653	0.9
520.11719	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	519.1173
Annotation	circumpyrene
Peak:m/z	Relative Intensity
52.77465	0.3
55.01876	0.6
57.03445	0.8
57.64647	0.4
59.01381	22.7
61.98832	0.6
68.99805	0.5
71.01383	9.5
71.05039	0.3
72.99307	0.6
73.02959	2.5
78.11598	0.3
81.03411	0.3
83.01378	1.1
84.93855	1.9
85.02959	3.2
87.00861	1.0
87.04494	0.4
89.02435	4.8
93.03455	0.7
95.01389	1.1
95.05032	1.6
96.96001	2.2
98.21755	0.6
98.95584	1.0
99.00878	1.4
99.92584	11.1
100.92659	0.6
100.93362	11.4
101.02451	5.9
103.00390	0.7
105.02586	0.3
106.04246	1.6
107.05029	22.4
111.00827	0.3
113.01694	0.5
113.02450	4.5
113.72500	0.4
114.94962	0.7
115.92082	12.7
116.92862	100.0
117.92875	2.2
117.93604	0.5
119.03491	1.8
121.03058	0.4
123.04522	0.5
126.94949	0.3
127.11295	0.4
127.37960	0.3
128.92871	0.4
131.03468	0.4
133.10266	0.6
135.11792	1.4
139.04015	18.2
140.04309	2.1
140.92880	0.8
141.04495	0.5
141.93686	0.4
142.94421	2.1
143.03484	1.0
151.04012	8.4
156.92365	0.7
158.93921	0.7
159.02953	0.4
161.04564	2.8
161.09758	1.8
169.93167	0.4
173.04480	0.5
174.97321	0.3
179.05640	1.4
179.10802	3.8
184.91864	2.3
184.95407	0.6
191.05612	1.5
199.07613	0.6
201.14946	1.1
202.22725	0.4
205.08659	0.4
227.14438	0.7
243.10309	0.3
243.17535	1.0
259.96286	0.7
264.38757	0.3
273.17734	0.3
287.16544	1.5
305.76328	0.4
315.25159	0.4
339.25409	0.9
345.96262	0.4
353.17587	0.7
357.26566	1.3
360.44724	0.4
397.09518	0.9
399.23972	0.4
405.21283	0.5
415.10678	4.5
433.11569	3.3
441.28592	0.4
445.11725	0.5
457.11722	2.2
459.29749	0.7
475.12671	5.3
475.25473	0.4
476.12936	0.6
483.09586	1.5
501.30652	0.6
504.21655	0.4
519.11768	16.8
519.18268	0.8
519.31848	8.1
520.12177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98823	1.3
66.65568	0.3
69.55853	0.3
71.01373	2.3
85.02943	0.7
87.00846	0.4
89.02441	2.4
96.95998	0.6
101.02438	1.2
101.42370	0.3
103.75891	0.4
111.02003	100.0
112.02345	0.6
113.02424	1.1
119.03501	1.1
120.94817	0.3
124.03093	0.4
131.03578	0.3
143.03471	0.4
152.03543	0.4
157.05109	0.4
162.83530	0.4
165.01918	0.6
177.01982	2.5
179.05618	1.1
180.04300	0.6
192.04301	1.2
195.06747	1.7
207.06610	0.4
225.07692	0.6
227.54689	0.4
243.06262	0.9
243.08678	0.6
387.12955	1.1
405.11478	4.4
504.14758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77830	1.0
55.01886	1.6
55.37119	1.2
57.03469	1.6
58.00602	2.3
59.01378	100.0
59.59821	1.0
61.98837	2.0
63.78769	1.1
69.03465	2.0
71.01381	63.9
72.99324	1.8
73.02955	5.1
79.64722	1.1
83.01395	2.4
85.02956	12.8
87.00885	8.4
87.04471	1.1
89.02445	87.9
95.01400	5.4
96.96028	1.8
99.00871	2.7
99.92605	2.0
100.93374	1.8
101.02447	33.3
113.02449	31.4
115.92113	1.4
116.92867	6.1
119.03505	40.2
121.02950	2.6
125.02432	2.6
131.03494	11.6
134.03877	1.1
137.02388	1.4
138.03249	1.6
143.03482	10.5
149.02469	14.6
149.04550	5.1
155.11765	1.2
160.01726	1.3
161.04585	11.0
167.03510	1.7
177.01927	95.2
178.02545	2.4
179.05617	33.1
179.07179	2.3
180.04318	1.8
191.03549	2.1
191.05591	2.4
192.04286	45.5
195.02959	7.1
195.06812	1.4
207.06616	19.2
210.05270	9.4
225.07707	20.8
312.83337	1.2
387.12924	44.5
388.12906	1.6
405.14111	5.2
450.56100	1.1
454.29413	1.2
519.24628	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	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21776	0.3
59.01376	7.5
61.98822	1.1
62.89498	0.3
69.39655	0.6
69.40026	0.8
71.01376	3.5
73.02930	0.5
85.02943	1.1
87.00895	0.4
88.98801	0.6
89.02436	4.3
96.96020	2.0
97.06568	0.3
99.00812	0.3
99.92616	0.7
100.93369	0.6
101.02441	2.2
113.02454	2.2
115.92132	0.3
116.92880	1.6
119.03505	1.8
125.84370	0.3
131.03523	0.4
134.03741	1.1
135.04529	100.0
136.04875	1.3
139.03992	0.4
143.03400	0.5
161.04547	1.0
179.05617	1.1
191.05521	0.5
234.77542	0.3
297.09781	33.3
298.10126	0.8
304.70251	0.3
405.21292	5.1
483.28024	0.5
519.26044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86311	0.7
55.01875	2.8
56.83434	0.8
57.03439	2.7
59.01377	81.9
61.98827	3.4
67.01922	0.9
69.03464	3.6
71.01379	41.7
71.05043	1.5
71.41960	0.8
71.97948	0.8
73.02949	10.7
75.00874	1.2
81.03487	1.7
83.01393	4.9
85.02951	17.3
87.00884	3.0
87.04533	1.3
89.02443	20.7
93.03472	4.3
95.01398	3.3
95.05015	4.5
97.06646	1.0
99.00898	2.5
99.92569	8.1
100.93365	7.0
100.93984	1.1
101.02444	25.8
106.04243	6.4
107.05029	100.0
108.02155	1.2
108.05343	1.1
113.02444	26.1
113.06086	1.0
115.92052	9.5
116.92860	70.2
117.92870	2.1
119.03484	6.7
123.04535	2.6
123.70229	0.8
125.02444	1.8
129.01971	1.5
131.03506	1.9
133.10274	1.4
135.11803	5.2
139.04010	46.3
140.04366	3.1
141.04590	1.6
142.94463	1.0
143.03503	3.3
149.04544	1.2
151.04001	40.1
158.94000	0.9
159.03006	2.9
159.04460	0.8
160.05344	0.9
161.04562	11.9
161.05849	1.2
161.09708	11.7
163.11357	1.0
173.04552	1.7
179.05649	5.1
179.10767	21.0
181.12415	1.3
184.91905	2.6
191.05649	6.5
199.07675	2.7
201.14961	4.4
203.10803	0.8
205.08676	6.8
209.11833	0.9
227.14429	3.2
227.16351	0.9
229.18011	0.9
243.17534	5.0
269.15540	2.2
283.13626	0.9
287.16492	7.8
329.17639	1.6
353.17694	3.6
357.26401	5.7
362.19543	2.0
363.20673	1.1
389.21896	1.8
405.09454	8.6
405.21030	6.1
415.10562	2.7
417.24622	1.2
433.11737	1.7
459.30524	4.1
475.12836	3.5
475.25845	1.1
477.23557	1.3
477.30695	2.0
501.30664	1.2
519.11920	13.1
519.20001	4.0
519.31830	43.4
520.31885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1867
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
55.01859	0.2
57.03452	0.2
59.01375	1.3
61.27325	0.1
61.98825	0.3
68.99805	0.1
69.03455	0.2
71.01382	2.8
73.02943	0.8
83.01383	0.3
84.02174	0.3
85.02946	1.7
85.61652	0.1
87.00832	0.1
89.02448	0.5
92.02676	0.3
93.03452	0.7
95.01376	0.2
97.02882	0.1
99.00861	0.3
101.02448	1.4
108.02180	1.0
109.02964	0.7
113.02452	1.3
121.02953	4.6
121.03844	0.2
122.03739	3.8
123.00874	0.4
123.04505	0.3
124.01685	0.3
132.03738	0.1
134.03711	0.8
135.04523	0.3
136.01659	69.3
137.02536	1.7
138.03136	0.1
143.03502	0.2
145.06592	0.2
149.02481	0.1
149.06024	0.7
150.03238	0.2
151.04004	100.0
152.04362	1.4
158.03760	0.1
159.03220	0.2
159.04449	0.6
160.05269	1.1
161.02388	0.3
161.04558	1.6
161.05884	0.2
162.01054	0.1
162.03239	1.2
163.04007	1.2
173.06004	0.2
175.04095	0.6
175.07594	1.2
176.04770	0.5
177.05559	1.0
179.03490	0.6
187.04057	0.4
188.04785	0.3
189.05606	0.5
190.06410	0.4
191.05556	0.2
193.05070	0.3
203.07117	0.5
206.05881	0.2
241.05170	0.2
256.07407	0.3
296.10718	0.3
311.12820	0.7
327.12347	0.5
342.11084	4.8
343.11444	0.2
357.13422	92.1
358.13715	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	519.187
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
55.01867	1.4
55.94223	0.9
57.03452	1.4
59.01379	68.3
61.98809	2.0
69.03467	6.2
71.01380	33.7
71.43058	0.8
72.99312	1.1
73.02955	6.5
76.36438	0.9
82.95428	1.3
83.01369	2.3
83.05048	1.0
85.02952	8.9
87.00870	4.1
87.04462	0.9
88.98803	1.8
89.02442	35.8
93.03461	2.5
95.01370	2.9
96.96024	3.2
97.02972	0.9
99.92595	1.9
100.93338	1.2
101.02444	20.5
108.02200	1.7
113.02450	46.2
115.03958	1.0
116.92863	7.3
119.03503	13.3
121.02960	4.3
122.03741	3.5
123.04517	3.7
131.03528	1.1
132.64084	0.9
135.04517	2.5
136.01660	74.6
137.02472	2.3
139.03998	1.6
143.03494	2.6
148.72809	0.9
149.04582	2.0
151.04007	99.7
152.04298	1.1
153.09192	1.7
159.02963	0.9
160.05281	2.5
161.04552	9.7
162.03166	1.6
163.03961	1.4
173.04570	2.5
175.07597	1.7
177.01935	3.7
179.03505	1.8
179.05606	9.8
187.03894	0.9
191.05643	6.6
203.07117	1.9
221.40323	1.0
243.16037	1.8
268.51028	1.2
279.06705	1.2
309.11368	1.8
339.12387	3.1
342.11032	4.4
350.88199	0.9
357.13437	100.0
358.13849	4.7
405.21301	29.8
405.26645	1.4
414.91345	1.0
415.23105	1.2
437.66220	1.2
501.17520	1.1
501.57391	1.1
519.11261	1.7
519.24780	13.4
519.31732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.187
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
59.01379	38.1
69.21879	7.6
71.01381	29.1
72.37823	1.1
73.02943	1.5
85.02956	5.0
88.91497	1.1
89.02447	29.6
93.03458	2.2
98.21863	2.7
101.02451	13.2
108.02174	4.1
113.02434	10.2
119.03529	9.8
121.02968	5.1
122.03759	3.9
123.04535	2.0
131.03514	1.3
136.01666	76.1
137.02426	4.6
139.68698	1.3
143.03511	3.0
151.04005	100.0
152.04362	2.1
160.05281	2.1
161.04585	3.7
165.69696	1.6
175.07628	2.0
179.05594	7.4
188.04797	1.8
203.07141	3.8
266.33450	1.3
279.06696	2.4
309.11118	1.5
339.12302	5.9
342.11035	3.3
343.68826	1.3
352.26968	1.3
357.13440	98.1
358.13675	2.8
368.79770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44076	0.6
59.01379	10.8
60.28273	0.7
69.52188	1.4
71.01392	5.0
72.00905	6.3
74.02474	13.1
85.02937	1.3
86.12280	0.7
87.00880	1.2
89.02427	4.8
97.02330	0.7
97.02945	1.8
101.02448	4.1
107.05031	14.3
109.06588	7.2
113.02433	2.1
116.05063	38.8
119.03513	1.9
130.06619	3.7
135.04527	18.0
137.06073	8.4
142.06618	11.6
151.04073	1.0
153.05577	37.4
159.09267	9.4
186.05663	1.7
203.08258	100.0
204.08539	2.0
301.04968	1.9
315.10849	84.2
316.11105	1.4
365.48706	0.7
372.96832	0.8
410.88049	0.7
459.03839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03439	1.8
59.01378	100.0
61.98813	3.6
68.79350	0.8
69.03447	8.2
69.13132	5.4
71.01379	52.1
71.05030	1.0
73.02954	4.4
76.54459	0.8
80.01520	0.9
82.95397	4.0
83.01389	2.6
85.02950	10.0
87.00864	5.8
87.04489	1.7
89.02441	54.9
93.03432	2.2
95.01385	3.5
96.96033	1.9
99.00858	1.5
99.92552	1.2
101.01794	1.5
101.02449	28.3
108.02172	2.6
109.58109	0.8
111.04507	1.7
113.02446	56.6
114.02813	1.0
115.04018	4.3
116.92861	9.1
119.03499	23.0
121.02946	1.8
123.04507	3.7
125.41734	1.1
128.03496	1.2
131.03505	4.3
133.03014	0.9
134.03711	1.1
135.04520	2.7
136.00690	1.6
136.01662	17.3
137.02509	1.3
139.03984	4.8
143.03520	4.4
149.04626	1.9
149.09723	1.3
151.03996	27.9
153.09204	2.0
159.03053	1.2
161.02412	1.1
161.04552	9.6
167.10738	2.4
170.32106	0.8
173.04480	2.2
177.01970	1.9
179.03644	1.1
179.03940	1.5
179.05600	15.7
187.04015	1.3
188.04787	1.2
191.05574	4.0
191.07126	0.8
201.04004	1.6
203.07097	3.8
225.14861	1.0
243.06728	1.1
243.16013	2.0
279.06479	0.9
309.11255	3.5
339.12347	6.7
357.13406	26.3
371.30270	1.1
374.30560	1.0
387.20215	2.5
389.40253	0.9
405.13309	2.0
405.21320	41.4
406.21558	1.9
415.23242	3.1
433.24731	1.2
457.26297	0.9
501.17264	1.2
519.17627	2.1
519.24591	21.8
519.31635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03440	3.4
58.00592	1.2
59.01378	100.0
67.01895	1.2
67.45531	1.0
69.03452	3.8
71.01378	64.4
72.99318	1.3
73.02938	10.1
77.99886	0.9
81.03447	2.9
83.01411	5.7
83.04988	1.1
85.02952	14.2
87.00887	4.3
87.04510	1.6
89.02444	65.7
93.03441	2.2
95.01381	3.6
96.96014	2.1
97.02939	2.2
98.03751	1.2
98.21911	3.5
99.00887	5.4
99.04510	7.0
100.26685	1.1
101.02437	37.1
107.05030	1.3
109.06595	2.5
113.02445	41.1
115.04005	2.1
116.20354	1.1
119.03500	26.2
123.08151	3.6
125.02436	2.9
125.09715	2.0
127.07613	1.7
130.08748	2.0
131.03494	8.7
131.07144	7.0
135.04524	2.2
137.09656	2.0
137.22075	1.1
139.04033	2.9
143.03546	8.8
149.04561	5.6
149.67703	1.1
149.87163	1.1
159.03018	2.6
161.04546	16.8
163.11310	4.3
167.10728	1.1
177.01945	1.0
179.05626	21.9
189.12846	3.7
191.05608	4.1
207.13840	5.2
209.11955	1.3
219.56372	1.1
225.14845	3.1
233.06583	2.5
243.15971	3.0
268.27673	1.2
293.08881	2.7
387.20297	2.1
402.18613	1.2
405.21286	76.8
406.21597	2.8
447.09436	1.7
475.18677	1.3
501.16248	2.0
519.08374	2.9
519.17651	2.4
519.24609	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32936	2.4
56.26181	2.7
57.03444	11.3
59.01380	82.1
64.99396	2.8
69.03453	8.0
69.27072	10.5
71.01382	58.7
73.02928	4.4
83.01369	4.4
85.02945	9.5
89.02445	74.0
95.01350	5.0
98.19567	2.3
101.02438	34.5
106.43736	2.7
113.02450	63.0
119.03514	36.4
127.09401	2.6
131.03477	4.4
134.07373	6.4
139.07666	3.9
143.03481	8.8
149.09718	54.7
153.09222	17.6
161.04556	15.7
167.10767	100.0
179.05583	33.2
201.36166	3.0
225.15022	15.6
243.16109	13.9
383.20374	2.5
405.21237	86.7
405.26645	4.1
406.21750	3.7
519.24579	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.57817	1.4
57.03444	10.8
58.00599	1.7
59.01379	96.6
69.03461	4.4
69.09002	8.9
71.01379	59.4
71.05038	1.5
73.02948	5.9
73.75766	1.4
82.95426	2.0
83.01380	4.0
85.02943	13.9
87.00882	4.3
89.02444	69.8
94.66496	1.4
95.01413	3.7
98.68927	1.6
101.02436	32.7
111.08140	1.6
113.02447	48.4
116.92787	1.3
119.03500	25.6
131.03462	2.9
134.07356	3.2
135.08191	1.5
139.04004	3.5
139.07683	2.3
143.03462	5.7
148.33995	1.4
149.04544	3.4
149.09714	33.0
153.09201	11.6
159.03012	1.6
161.04527	14.6
167.10768	58.3
178.65675	1.7
179.05629	22.0
181.12314	1.4
187.06317	1.4
191.05617	1.5
207.13927	6.0
225.14969	13.0
243.16016	11.3
293.08539	1.8
353.09247	1.7
387.20105	5.5
405.21292	100.0
406.21628	2.6
519.25104	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66423	0.8
53.88804	0.8
55.01876	1.3
57.03443	2.0
59.01379	100.0
61.98832	1.7
65.05271	0.8
69.03468	1.7
69.24460	4.4
71.01381	29.4
73.02940	9.9
75.00876	1.5
75.54518	0.7
81.03461	1.1
83.01396	3.0
85.02948	9.1
85.06653	1.0
87.00877	3.0
87.04557	1.0
89.02442	19.3
93.03477	2.3
95.01424	2.6
95.05008	4.6
97.02943	1.3
98.04984	0.9
99.00913	2.6
99.04513	1.0
99.92599	3.4
100.93381	2.6
101.02444	21.3
107.05044	6.6
108.02132	1.3
109.02984	1.2
111.00832	0.9
113.02451	15.4
115.92094	2.9
116.92859	28.6
117.92892	1.0
119.03484	8.4
120.01259	2.0
122.03762	0.9
125.02448	1.7
131.03519	1.6
135.04567	1.8
137.06082	1.8
139.04008	59.4
140.04318	5.4
141.04523	2.2
143.03543	2.8
149.04565	1.2
151.03999	2.3
161.04591	6.4
173.04596	1.9
179.05638	3.5
179.10912	1.3
191.05592	5.7
199.07660	3.7
201.14937	1.3
221.06708	2.4
225.09282	1.0
227.16516	8.0
241.78137	0.9
243.10210	1.2
327.43265	1.1
357.26419	5.7
363.20309	2.6
399.24020	2.6
405.21359	2.9
415.23502	2.4
417.25009	2.7
426.67700	1.2
433.24573	3.7
459.30359	2.5
475.14380	1.1
475.25494	17.8
477.23492	1.7
477.30524	1.1
519.11926	5.0
519.18878	2.0
519.31946	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03437	1.1
59.01377	32.0
61.98818	1.2
69.03442	1.1
69.42769	0.8
69.43179	1.4
71.01381	15.4
72.99289	0.6
73.02940	4.4
83.01372	2.1
85.02950	7.2
85.06588	1.9
85.18890	0.4
87.00870	1.1
88.95556	0.4
89.01934	0.7
89.02448	8.2
93.03426	0.6
94.92523	0.5
95.01376	1.1
99.00882	2.5
101.02431	11.4
108.13036	0.5
109.61050	0.4
109.66378	0.4
111.35306	0.5
113.02447	7.9
119.03492	2.8
119.05045	0.7
155.14418	5.2
161.04558	1.4
163.03973	0.7
167.06311	0.6
169.06078	0.7
176.39650	0.4
177.01903	0.5
179.05667	0.6
181.16034	2.3
189.62949	0.4
191.05600	1.1
199.13380	13.1
225.14998	3.6
227.06711	0.6
227.10820	0.6
244.64359	0.5
252.54803	0.6
271.00821	2.1
273.03772	0.5
285.02405	0.8
310.72998	0.5
313.16568	0.5
315.19504	0.5
397.22235	1.1
405.21265	100.0
406.21585	3.0
501.27118	0.6
519.31885	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03453	1.4
58.00568	0.5
59.01379	62.7
61.98806	0.6
69.03456	0.7
71.01379	32.3
72.06884	0.4
72.99308	0.5
73.02584	0.6
73.02948	3.1
83.01387	1.8
85.02952	6.6
87.00886	1.6
89.02444	23.8
93.03450	0.8
95.01397	2.0
95.05029	0.7
96.95994	1.0
99.00880	1.0
101.02448	17.5
106.04218	0.5
107.05038	5.1
113.02452	12.5
116.24724	0.4
116.92868	1.9
119.03500	8.9
127.07647	0.6
127.11316	1.0
131.03502	0.8
134.34250	0.4
139.04010	8.4
139.11302	0.6
140.04442	0.5
143.03508	1.1
149.04526	0.7
151.04037	1.9
153.12845	4.8
154.31963	0.4
161.04572	1.8
166.59146	0.4
173.04518	0.8
179.05611	1.8
179.10826	1.0
181.12389	0.5
181.15974	0.5
191.05644	3.3
199.13411	3.7
209.10007	0.4
209.11880	0.8
223.13354	2.3
225.14935	2.8
243.17732	0.5
270.52933	0.5
315.25516	0.6
387.20041	0.6
389.21701	1.1
390.22513	0.6
405.21274	100.0
406.21750	3.5
459.29623	2.7
475.25830	0.6
477.30606	0.9
501.30826	0.5
519.18469	0.7
519.24561	0.6
519.31622	8.6
520.22089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03441	0.9
58.00595	0.7
59.01378	46.2
69.03466	0.9
69.37914	1.8
71.01379	38.6
72.99334	0.7
73.02947	4.3
83.01379	3.7
85.02950	9.0
85.03460	0.5
87.00893	1.7
89.02439	19.0
93.07103	0.9
95.01393	2.1
97.03040	0.5
97.06618	0.6
99.00898	1.2
101.02437	19.5
105.53215	0.4
109.06638	0.5
111.00929	0.9
113.02445	11.4
116.58941	0.4
119.03495	7.0
125.02422	0.5
127.07792	0.4
127.11319	1.4
131.03516	0.6
137.09729	0.6
139.04063	0.6
139.11273	0.6
143.03532	0.9
153.12794	2.0
155.14503	0.6
159.02966	1.1
161.04604	2.1
173.04483	0.6
179.05592	1.1
181.12317	0.8
181.15921	0.5
187.92041	0.4
191.05655	1.2
199.13425	4.3
207.13979	0.5
211.41252	0.4
225.14940	2.0
227.16512	1.8
229.18040	1.0
230.37711	0.4
334.58582	0.4
336.38083	0.4
357.26334	2.2
389.21796	6.8
390.22659	2.4
391.23361	3.3
405.21255	100.0
406.21597	3.6
422.21506	1.9
441.28607	0.7
459.29745	0.6
470.79657	0.5
471.29285	0.5
483.29645	0.6
501.30899	0.5
504.20801	0.8
519.31683	31.0
520.31964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36938	0.9
55.01868	1.4
57.03434	1.8
59.01378	100.0
60.01691	1.1
61.98812	3.7
69.03435	1.8
69.28420	2.5
69.28810	2.1
71.01379	26.2
72.99305	1.3
73.02941	29.6
81.03450	2.3
82.95409	11.0
83.01393	6.6
83.05025	11.3
85.02967	8.2
85.06590	1.3
86.79759	1.1
87.00863	3.7
89.02440	9.4
93.03446	1.5
95.01380	1.9
95.05056	1.2
99.00853	1.5
101.02442	25.1
106.97753	1.0
109.06637	1.2
111.04488	1.8
111.08165	2.6
113.02438	11.5
113.06073	2.3
113.09705	3.1
115.04005	1.9
115.07639	7.9
119.03458	3.6
125.02456	1.4
135.08153	1.5
137.02464	1.2
137.06065	1.9
137.09741	5.6
139.03984	6.2
143.03502	1.2
143.07138	3.2
149.04562	1.9
155.07121	2.6
157.08638	2.3
161.04575	3.9
173.04547	1.5
173.08180	6.7
181.08752	4.9
181.12306	3.4
183.17482	2.5
191.05583	3.6
197.06064	3.2
199.09692	2.9
199.13345	4.6
209.15407	4.4
225.05577	2.3
227.16534	17.7
240.04280	6.0
240.07846	1.3
241.05023	2.6
253.14430	9.6
253.16908	1.5
253.17766	1.2
255.06584	17.7
255.10242	13.9
256.07333	4.6
271.09741	72.7
272.10010	2.9
289.26599	1.0
297.88861	1.0
361.15002	3.4
379.16089	7.9
403.16223	5.2
405.21225	10.6
415.23337	6.8
421.17084	30.4
433.24237	12.8
441.21338	5.5
459.22202	6.2
475.25455	52.9
501.23398	28.7
502.23459	1.5
518.72925	1.4
519.24347	30.6
519.31537	12.7
520.24841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18970	8.4
61.98818	12.6
62.82021	8.7
71.45193	11.8
73.24461	10.9
78.95899	33.3
88.50037	11.5
101.76503	10.8
132.33534	11.8
150.56546	12.3
152.99539	28.6
175.04054	11.8
192.39082	10.0
203.57991	10.6
211.06363	9.8
222.00687	9.6
279.23325	100.0
303.20444	9.2
307.07687	9.3
307.29916	18.9
369.29858	19.1
443.33521	24.4
461.26514	26.1
519.22565	17.2
519.33490	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41664	0.4
55.01881	4.0
57.03442	2.8
58.00586	1.3
59.01377	78.3
59.73421	0.4
60.01686	0.6
61.98824	1.6
68.99817	0.5
69.03455	4.2
69.12517	1.5
69.12944	1.4
71.01379	55.3
71.05026	1.3
72.99309	1.4
73.02942	14.3
75.00879	1.0
78.53148	0.5
81.03431	0.7
83.01389	7.1
83.05042	0.8
85.02949	21.2
85.06591	0.7
86.00122	1.2
87.00874	3.4
87.04498	0.6
89.02441	33.2
91.33350	0.5
93.03464	0.8
93.07095	5.4
93.07626	0.8
95.01395	3.6
95.05019	1.8
97.02985	0.8
97.06599	1.1
99.00873	4.4
99.92598	1.1
100.93351	0.7
101.02438	35.5
106.04230	0.5
107.05041	3.9
109.06644	0.8
111.00890	3.6
111.08193	0.8
113.02448	38.8
115.92080	1.0
116.92857	14.1
119.03503	14.7
121.06596	0.5
124.74744	0.4
125.02464	1.3
129.01965	1.0
131.03503	2.8
133.03044	0.5
135.04504	0.8
137.09720	4.7
139.04008	15.4
140.04396	1.4
141.01945	0.6
141.04521	0.5
143.03453	4.1
149.04585	1.2
151.04036	0.4
153.09198	0.6
155.14421	0.6
159.03027	2.1
161.04555	10.6
161.05864	0.8
165.12837	0.8
179.05609	25.0
180.06017	0.6
184.91844	0.7
185.15445	0.9
191.05653	1.6
199.17072	0.6
201.14981	0.8
209.15562	0.5
227.16539	7.1
229.18077	3.0
233.06714	0.6
273.11270	2.4
279.23276	0.5
293.08749	2.8
303.23236	0.6
327.99335	0.4
339.25592	0.5
345.19208	0.9
357.09393	0.7
357.26474	7.9
363.20132	0.6
369.19296	3.8
389.21820	19.0
390.22537	6.7
391.23361	8.9
399.23798	1.4
405.20779	1.0
417.24789	0.6
422.21558	5.9
441.28638	2.5
441.68497	0.5
459.29590	1.9
465.28851	1.2
471.29681	2.1
475.25073	0.9
483.22446	2.4
483.29675	1.9
489.30838	0.6
491.32480	0.5
501.30338	2.2
519.31732	100.0
520.31989	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	519.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41664	0.4
55.01881	4.0
57.03442	2.8
58.00586	1.3
59.01377	78.3
59.73421	0.4
60.01686	0.6
61.98824	1.6
68.99817	0.5
69.03455	4.2
69.12517	1.5
69.12944	1.4
71.01379	55.3
71.05026	1.3
72.99309	1.4
73.02942	14.3
75.00879	1.0
78.53148	0.5
81.03431	0.7
83.01389	7.1
83.05042	0.8
85.02949	21.2
85.06591	0.7
86.00122	1.2
87.00874	3.4
87.04498	0.6
89.02441	33.2
91.33350	0.5
93.03464	0.8
93.07095	5.4
93.07626	0.8
95.01395	3.6
95.05019	1.8
97.02985	0.8
97.06599	1.1
99.00873	4.4
99.92598	1.1
100.93351	0.7
101.02438	35.5
106.04230	0.5
107.05041	3.9
109.06644	0.8
111.00890	3.6
111.08193	0.8
113.02448	38.8
115.92080	1.0
116.92857	14.1
119.03503	14.7
121.06596	0.5
124.74744	0.4
125.02464	1.3
129.01965	1.0
131.03503	2.8
133.03044	0.5
135.04504	0.8
137.09720	4.7
139.04008	15.4
140.04396	1.4
141.01945	0.6
141.04521	0.5
143.03453	4.1
149.04585	1.2
151.04036	0.4
153.09198	0.6
155.14421	0.6
159.03027	2.1
161.04555	10.6
161.05864	0.8
165.12837	0.8
179.05609	25.0
180.06017	0.6
184.91844	0.7
185.15445	0.9
191.05653	1.6
199.17072	0.6
201.14981	0.8
209.15562	0.5
227.16539	7.1
229.18077	3.0
233.06714	0.6
273.11270	2.4
279.23276	0.5
293.08749	2.8
303.23236	0.6
327.99335	0.4
339.25592	0.5
345.19208	0.9
357.09393	0.7
357.26474	7.9
363.20132	0.6
369.19296	3.8
389.21820	19.0
390.22537	6.7
391.23361	8.9
399.23798	1.4
405.20779	1.0
417.24789	0.6
422.21558	5.9
441.28638	2.5
441.68497	0.5
459.29590	1.9
465.28851	1.2
471.29681	2.1
475.25073	0.9
483.22446	2.4
483.29675	1.9
489.30838	0.6
491.32480	0.5
501.30338	2.2
519.31732	100.0
520.31989	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	519.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95550	0.2
59.01374	2.0
60.44547	0.2
61.98830	0.4
69.01498	0.2
69.46978	0.4
69.47330	0.4
71.01374	0.4
71.04815	0.2
78.95913	0.5
79.42574	0.2
89.02445	0.6
91.04009	1.1
98.22775	0.2
101.49362	0.2
108.23167	0.2
113.02396	0.2
117.03467	19.4
117.07150	0.3
117.21352	0.2
118.04267	2.1
119.05025	10.4
121.02975	1.8
123.04540	0.5
133.03014	0.3
145.02953	100.0
146.03314	1.3
152.99614	0.4
162.03175	0.3
163.04001	5.8
166.76460	0.2
188.85248	0.2
219.48141	0.2
253.25313	0.5
279.23273	2.2
299.25906	7.8
307.30209	0.4
357.27853	0.2
359.29523	7.3
360.29977	0.3
369.30197	0.5
383.29578	1.1
427.28497	25.3
428.28824	0.8
443.33783	0.6
445.29572	17.5
446.29861	0.8
461.26648	0.4
519.33246	49.4
520.33612	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	520.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02256	0.6
57.50737	0.5
59.01384	5.2
61.98828	100.0
69.07989	3.2
71.01388	2.5
73.02939	0.7
82.95424	2.1
85.02980	0.8
87.00900	0.7
89.02479	1.8
89.22752	0.6
93.03469	0.7
101.02437	1.5
108.59565	0.6
113.02477	0.9
116.92863	0.9
117.92896	0.7
120.01250	7.2
120.01991	0.8
121.03011	0.6
128.03560	0.7
137.06082	0.6
143.04669	1.1
151.04105	0.7
154.53746	0.6
160.05431	0.6
160.39272	0.6
161.02454	0.8
173.04659	0.7
179.64844	0.5
188.02072	0.7
189.05450	0.7
191.05614	0.9
227.36548	0.6
294.58551	0.5
308.07550	0.7
329.14069	2.0
358.13776	0.9
439.99695	0.7
466.84033	0.7
520.15674	2.2
520.26257	0.8
521.67334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56485	0.8
59.01378	11.8
61.98827	3.9
62.52280	0.8
71.01392	4.8
76.95064	0.9
77.21639	0.9
80.10406	0.9
85.02950	2.3
89.02457	3.0
93.03447	5.3
94.66159	0.9
98.22712	1.5
101.02443	2.9
108.02174	1.1
109.02916	1.2
113.02446	3.3
119.03492	1.4
121.02951	64.9
122.03744	3.9
136.05315	2.1
139.04015	15.1
140.04372	5.0
151.03970	1.2
151.07640	1.8
155.40437	1.0
159.03033	1.0
179.05588	1.2
191.05615	3.2
202.49634	1.0
211.93578	0.9
258.09021	2.3
266.32953	0.9
272.10522	24.8
273.11313	100.0
274.11633	2.0
315.12091	1.9
350.59686	1.1
367.84665	1.0
417.15643	1.6
477.17670	4.6
519.31970	1.6
520.31702	3.6
521.32727	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	520.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10049	0.6
54.24462	0.6
59.01373	14.6
61.98823	2.3
71.01386	4.2
73.02952	1.0
85.02924	1.9
87.00912	0.8
89.02447	2.4
89.98603	0.6
90.51109	0.7
101.02425	2.4
107.05024	99.2
113.02444	2.2
116.92903	0.8
119.03512	1.4
139.04019	1.4
152.12579	0.6
161.04590	0.9
173.04427	1.1
191.05615	1.7
239.07231	0.8
240.07979	0.8
255.10249	6.8
273.11307	100.0
274.11600	3.1
302.40500	0.8
324.60590	0.7
375.34357	0.8
440.91412	0.7
519.31201	1.0
520.31964	2.8
521.33337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	44.5
60.01724	0.4
61.98827	100.0
69.41371	0.7
69.41774	0.9
71.01377	3.5
73.02942	1.9
73.92455	0.3
85.02939	1.3
88.18171	0.4
89.02431	2.4
101.02438	2.5
113.02425	2.2
116.92860	0.5
117.47865	0.3
119.03497	1.1
123.04545	0.4
139.03946	0.4
161.04507	0.7
161.28928	0.3
166.05121	0.4
179.05537	0.5
191.05574	0.6
371.20462	1.0
406.21655	0.5
413.21762	2.8
438.58789	0.3
499.48917	0.4
520.27258	0.3
542.82660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00931	1.2
59.01376	54.3
61.98827	100.0
67.89565	0.6
69.26455	4.1
71.01379	4.4
73.02956	2.0
80.67963	0.6
81.62126	0.8
82.53223	0.7
82.81143	0.7
84.34887	0.7
85.02956	1.7
89.02435	1.0
93.03430	1.1
95.01350	1.0
101.02449	2.9
113.02468	2.0
135.04575	2.5
173.04576	0.7
179.05809	0.7
191.05603	8.8
230.22684	0.7
371.09882	4.3
371.14001	0.8
413.21780	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	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14030	0.6
59.01378	64.4
60.01714	1.6
61.98829	100.0
65.96726	0.6
71.01386	3.6
72.31957	0.7
73.02937	1.4
79.65340	0.7
85.02956	1.4
89.02467	2.4
95.05083	0.8
98.21896	2.4
101.02457	2.2
113.02468	3.1
119.03479	1.0
139.04015	6.5
140.04382	1.9
151.69585	0.7
151.92444	0.6
154.50888	0.7
191.05705	1.7
231.98383	0.8
244.22113	0.7
293.69641	0.7
320.92340	0.6
371.20639	1.5
399.24060	0.7
400.24493	2.0
410.57092	0.7
413.21738	4.5
476.05264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86930	0.4
51.73135	0.5
59.01378	63.2
60.01693	0.5
61.98828	100.0
62.98508	0.4
69.33873	1.3
69.34284	0.8
70.33740	0.4
71.01383	4.9
73.02945	1.9
83.01392	0.8
85.02953	2.5
87.00893	0.6
89.02434	2.5
93.03492	0.6
96.96030	0.4
99.00864	0.5
101.02437	4.3
107.04989	0.4
113.02444	2.5
116.40822	0.4
116.92836	0.7
119.03503	0.9
135.04471	0.4
139.04001	2.0
140.04277	0.5
140.60056	0.4
151.03984	0.5
161.04504	1.2
173.04495	0.5
189.06223	0.5
191.05568	1.1
209.15373	1.0
353.19724	2.5
358.13538	0.4
359.14572	0.6
371.20721	4.2
413.21823	7.9
477.22876	0.5
520.31873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77043	0.3
56.97575	0.3
59.01378	17.5
59.82607	0.3
61.98829	100.0
69.03461	0.3
69.35215	1.0
69.35608	0.5
71.01381	3.8
73.02946	7.3
83.01385	1.6
85.02977	0.7
89.02459	1.6
98.22646	0.7
101.02438	7.0
113.02444	2.7
119.03537	0.9
121.33470	0.3
123.00877	0.3
125.02475	0.3
131.03511	1.0
143.03476	0.8
146.06120	0.6
149.04552	1.7
155.03529	0.4
160.84171	0.5
161.04547	2.7
162.05602	0.9
164.20503	0.3
191.05573	0.6
201.41949	0.3
203.05734	0.4
220.06870	0.3
221.06699	0.9
248.73346	0.4
253.75359	0.3
287.20499	0.3
304.52072	0.3
307.16644	0.3
307.52606	0.3
315.08713	0.4
401.27365	0.4
447.40189	0.3
484.12378	0.3
536.27490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67662	0.8
53.12806	0.8
55.01878	1.5
57.03432	1.6
57.50452	0.9
58.19180	0.8
59.01377	63.7
60.01711	1.5
61.98828	100.0
71.01385	15.3
72.01723	1.3
73.02929	4.0
75.00893	0.9
79.62466	0.9
83.01379	1.4
84.18085	0.8
85.02952	6.0
87.00880	2.2
89.02444	8.4
93.03437	2.1
95.05008	2.4
99.00878	1.5
101.02441	11.3
109.02979	2.2
111.00868	1.2
113.02447	7.7
114.24724	0.9
119.03481	2.9
135.04608	1.2
139.04016	17.9
140.04314	7.0
145.82353	0.9
153.01929	2.5
161.04546	3.6
173.04552	1.7
179.05602	3.8
180.05930	1.1
191.05560	4.8
205.08679	3.6
206.09044	5.3
273.11243	2.1
357.26370	1.0
358.10132	1.1
358.26895	1.3
359.27954	2.1
371.20566	2.6
405.21118	1.3
406.21622	6.1
413.21765	5.4
477.23566	1.6
519.31598	1.7
520.32104	3.2
521.33350	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	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40480	0.3
59.01377	17.7
61.98827	100.0
64.14056	0.2
68.06944	0.3
69.03452	0.3
71.01378	3.8
73.02945	8.0
79.78144	0.2
83.01396	2.1
85.02962	0.6
89.01957	0.3
89.02407	1.3
101.02440	7.2
113.02436	2.9
119.03509	0.8
123.00873	0.3
125.02503	0.5
131.03543	0.7
143.03502	0.9
149.04524	1.8
160.84221	0.9
161.04549	2.7
162.05605	0.7
169.35796	0.2
191.05611	0.6
203.05861	0.3
221.06650	0.7
240.54851	0.3
316.08963	0.5
353.83456	0.2
359.15115	0.3
438.77960	0.3
476.22522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01376	74.0
60.01709	0.7
61.98826	100.0
66.91489	0.6
71.01377	6.6
71.43164	0.8
73.02967	2.5
73.18168	0.7
74.02482	1.5
83.01384	1.2
85.02972	2.9
87.00860	0.9
89.02462	2.8
89.67818	0.7
93.03462	2.1
95.01345	0.8
101.02440	4.3
113.02464	3.0
116.92910	1.5
119.03544	1.0
135.04527	6.9
136.04868	0.9
137.02454	1.3
139.04037	1.4
161.04601	2.1
162.73499	0.6
167.07471	0.7
173.04536	1.4
180.06659	0.9
191.05611	21.6
238.65451	0.8
273.97900	0.8
284.77313	0.8
371.09839	11.2
371.21094	0.9
413.21817	1.5
416.23560	0.9
520.17981	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	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73554	0.3
62.96410	0.4
69.06962	2.0
72.83759	0.3
78.95901	49.5
79.70704	0.3
96.96961	6.4
104.91257	0.3
116.72437	0.3
122.39361	0.3
123.38488	0.3
150.98000	1.3
152.99583	100.0
153.99937	0.5
171.00639	6.5
199.64148	0.3
240.02681	0.3
279.23322	1.4
301.88855	0.3
433.23557	27.9
434.24033	0.6
465.44803	0.3
520.26721	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	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.3
70.65823	0.3
73.12428	0.2
75.63451	0.2
78.95899	42.3
84.30426	0.2
96.96951	5.2
117.86524	0.2
119.67149	0.2
147.05865	0.2
150.97969	1.5
152.99580	100.0
153.99939	0.8
159.71248	0.2
166.01230	0.2
170.34213	0.2
171.00618	3.4
267.82889	0.2
279.23340	0.7
433.23560	23.8
434.23874	0.7
520.26764	5.8
521.27289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41953	53.0
58.34115	47.4
59.66909	58.0
98.22620	100.0
170.52554	51.2
211.07237	53.5
351.81085	50.1
477.32205	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.6
61.98813	1.5
63.10152	0.6
63.13066	0.5
69.38754	2.3
69.90367	0.6
71.01379	6.0
73.02975	0.7
79.04871	0.6
81.03464	1.4
82.80089	0.5
82.95409	1.1
85.02948	2.6
89.02457	5.7
91.01860	1.2
93.03452	1.1
98.22603	1.2
99.00866	0.7
101.02432	2.8
108.02173	42.6
109.02956	53.1
113.02409	2.3
119.01394	0.6
119.03482	2.4
120.01254	0.8
120.02183	0.8
121.02926	2.0
123.00875	0.7
123.04552	1.0
134.03708	0.8
134.26967	0.5
135.00882	1.9
147.00874	0.8
149.02415	6.3
150.03192	2.1
151.03993	1.0
152.01149	48.1
153.01941	46.9
153.05533	2.6
157.08630	0.7
161.02448	1.1
161.04623	0.9
163.03934	1.7
164.04785	4.0
165.01918	0.8
165.05592	0.8
167.03464	0.8
174.64854	0.6
175.00356	8.5
176.01134	8.2
179.05611	1.4
179.07068	0.8
190.02718	21.3
190.06424	0.7
191.03494	10.0
194.02220	0.8
205.05043	15.4
208.03772	0.8
209.04482	1.0
217.01320	0.8
223.06149	3.6
245.11795	3.3
255.56049	0.6
273.94168	0.6
287.12799	1.6
293.08521	0.8
305.13849	1.5
315.07190	24.1
341.14066	1.4
353.08755	4.0
367.10117	3.4
477.14124	1.8
489.10193	0.9
521.12946	100.0
522.13129	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	521.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98206	0.8
59.01378	20.7
61.32708	1.0
61.98824	1.7
70.04298	2.4
71.01379	6.0
72.94934	0.8
73.02956	1.3
73.38496	0.8
85.02957	2.8
89.02455	1.1
93.03458	4.5
98.22000	1.1
99.00883	1.5
101.02481	2.5
113.02448	2.9
116.92937	1.4
118.26900	0.9
121.02955	78.4
131.03497	0.9
135.04478	0.8
136.05283	9.2
137.02472	1.0
147.08197	1.0
151.03978	1.9
151.07646	1.2
161.02371	1.3
162.83916	13.0
163.83983	1.3
164.83614	5.0
165.05592	1.9
173.04520	1.2
181.10286	3.4
191.05603	1.0
225.09178	2.5
227.10799	3.9
243.06622	1.5
251.56332	0.9
257.09030	1.8
257.11838	53.3
258.08966	100.0
259.09317	2.5
273.11319	88.0
274.11713	2.9
293.08826	1.7
301.10638	1.6
417.15781	2.9
435.16647	2.8
477.17667	6.4
487.04431	0.9
521.17462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
57.03428	1.5
59.01377	100.0
60.01692	1.6
69.03455	3.5
71.01381	33.4
73.02946	77.4
75.00870	1.3
83.01385	17.4
85.02950	7.2
87.00877	1.9
89.02448	14.1
93.03441	1.8
95.01382	2.2
96.28696	1.2
97.02947	1.5
99.00879	2.4
101.02439	55.5
107.05021	13.1
108.02202	1.2
113.02451	24.2
119.03498	5.5
125.02452	2.6
131.03513	4.0
135.04546	1.6
137.02428	2.1
139.04034	1.3
140.04384	1.0
143.03503	3.9
148.87219	1.0
149.04562	3.5
153.05554	1.6
155.03450	2.0
161.04581	10.1
179.05608	2.5
191.05634	4.0
210.59898	0.9
221.06761	1.0
224.04755	1.8
225.05534	6.9
228.65428	1.0
239.07141	4.4
240.07927	1.4
255.10234	32.4
273.11276	8.5
359.28043	3.0
371.20740	11.7
387.22321	1.1
435.16602	2.0
461.31378	2.7
477.17532	5.3
477.26590	2.2
479.31915	1.1
485.24023	3.4
521.16364	2.1
521.33344	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	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.8
67.85071	1.9
71.01393	5.3
71.59713	1.8
83.38392	1.6
84.23459	1.7
89.02421	4.3
93.03416	2.7
106.56407	1.9
118.23604	1.9
119.03565	2.1
121.02949	50.5
123.04530	3.4
130.08615	2.0
135.04549	3.1
136.05309	6.4
137.06116	3.5
152.01076	2.3
153.05563	4.4
167.07150	2.4
190.02711	2.3
196.08966	1.9
245.46152	2.0
258.08957	66.4
271.04422	2.8
273.11313	100.0
274.11627	3.1
276.44006	2.0
295.00244	2.0
297.11288	2.2
341.12262	2.1
367.10214	3.7
498.16782	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03447	1.5
58.00597	1.6
59.01378	100.0
69.15254	1.2
69.15666	1.7
71.01379	53.7
72.99306	1.0
73.02959	1.5
82.95437	0.7
83.01383	1.8
85.02943	6.8
87.00886	2.9
89.02444	76.7
95.01390	3.4
97.02967	0.5
99.00882	0.8
101.02442	30.0
108.02191	0.8
109.02946	2.1
113.02448	23.0
119.03501	32.6
121.02952	1.8
122.03738	1.6
123.04512	1.7
125.02441	1.3
131.03471	3.6
143.03488	6.5
149.04541	3.5
153.01863	0.6
159.04509	2.3
160.05284	5.7
161.04520	5.6
161.06010	1.4
171.04480	0.6
172.05290	3.3
173.06007	2.4
175.07642	2.6
179.05617	15.4
187.07584	0.7
189.05565	5.0
190.06331	6.9
191.10727	1.4
205.08723	5.0
209.53395	0.9
225.05440	1.5
233.06648	0.8
240.07980	0.6
258.03610	5.1
273.02997	0.6
273.05881	11.6
281.08109	1.3
293.08765	4.4
295.09573	0.7
296.10486	3.6
311.09756	0.5
311.12869	4.7
329.13864	1.7
341.13910	22.4
435.05734	0.6
435.11075	5.8
521.19928	5.5
522.13635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.2
61.98831	4.1
69.03440	1.5
69.52672	1.7
69.53059	1.6
70.98009	0.8
71.01382	33.8
72.97533	1.0
72.99298	1.1
73.02950	1.6
79.34809	0.6
82.68187	1.0
83.01396	1.1
84.02161	0.9
85.02956	5.5
87.00871	1.8
89.02448	38.1
95.01369	2.3
96.96024	1.8
100.93361	1.1
101.02441	18.2
107.04993	0.9
113.02438	14.5
115.04017	0.8
116.42848	0.7
116.92859	4.7
119.03506	15.9
119.04971	5.8
121.02957	0.9
131.03481	1.5
134.97475	0.8
137.06082	3.3
143.03471	2.3
149.04549	1.4
153.05629	0.8
161.04547	2.5
179.05594	4.8
191.05606	1.5
197.04549	1.0
208.44218	0.8
299.11356	100.0
300.11679	3.0
461.16534	1.5
521.15210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.49856	0.7
59.90319	1.0
61.98828	1.2
66.28136	0.9
69.22555	4.4
73.04673	0.8
98.21910	2.2
106.04250	9.4
114.99525	0.8
144.37654	0.9
145.61942	0.9
151.04005	1.0
151.07660	2.0
162.04131	1.0
166.19119	0.9
168.01605	0.8
257.11816	67.2
258.12030	1.4
320.23056	0.9
340.47983	1.2
349.68250	1.0
496.67703	0.9
526.13763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03434	0.7
59.01378	61.4
61.98810	1.4
69.03449	5.5
69.12901	4.5
71.01379	53.4
71.40720	0.7
72.00901	1.2
72.99310	1.3
73.02943	10.2
75.00864	2.9
81.03439	4.4
83.01385	3.2
83.05051	0.6
85.02957	6.2
87.00877	3.2
89.02442	68.6
95.01384	1.2
95.04996	0.7
97.02946	10.6
99.00874	11.7
99.04520	1.8
101.02437	11.9
109.02910	1.0
111.00860	1.8
113.02444	6.6
115.03986	6.1
119.03526	0.9
122.03777	0.7
125.02446	36.0
127.04000	0.9
131.03514	8.5
135.04514	1.4
136.05295	21.9
137.02490	1.4
143.03487	3.1
149.03468	1.2
149.04555	12.2
161.04541	1.0
173.04544	1.0
185.09715	3.5
191.05614	8.5
227.10765	100.0
228.11082	2.5
233.06647	32.0
293.08777	41.7
461.31598	0.9
477.23737	5.1
501.78467	0.7
521.20270	77.7
522.20392	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54403	6.1
54.93819	6.2
57.97546	8.2
59.01376	100.0
65.95615	5.8
66.07305	6.5
71.01396	16.9
71.41965	6.4
73.02943	62.5
77.05712	6.2
83.01391	18.2
89.02415	7.6
97.62083	6.4
101.02431	47.1
131.03571	7.6
143.03474	7.2
149.04671	6.3
150.06868	10.2
161.04553	12.8
240.11667	11.0
326.88574	7.1
406.86023	6.8
477.21030	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03450	0.8
58.00584	1.0
59.01377	100.0
60.01723	0.7
61.98820	1.4
69.14813	3.0
71.01379	53.7
72.99303	2.3
73.02943	2.0
82.95410	1.3
83.01371	2.3
85.02943	7.8
87.00886	3.3
89.02441	76.0
93.03443	0.5
95.01382	3.8
98.21898	1.2
101.02442	32.4
108.02147	1.4
109.02935	1.1
113.02444	22.6
115.03948	0.9
119.03496	31.9
121.02929	1.6
122.03706	1.5
123.04501	1.9
125.02425	0.9
131.03499	3.2
134.03705	0.7
135.04442	0.5
143.03488	6.1
146.06136	3.9
147.06442	2.3
149.04558	3.0
149.05750	0.4
159.04529	2.5
160.05293	4.9
161.04507	5.4
161.06020	1.5
168.15625	0.6
171.04436	0.6
171.10176	0.6
172.05290	3.3
173.06044	2.7
174.06851	0.8
175.07581	2.3
178.06320	0.6
178.68593	0.5
179.04076	1.0
179.05612	17.7
187.07549	1.6
189.05560	5.3
190.06384	6.0
191.05501	1.7
200.93155	0.5
203.07077	0.6
205.08656	5.4
237.07602	0.8
263.07022	0.6
281.08020	2.2
293.08264	0.8
295.09705	0.6
296.10599	3.8
311.09467	0.6
311.12830	4.3
326.11310	0.6
329.13913	1.1
341.13904	22.9
341.18408	0.7
341.19684	1.1
342.13885	0.7
352.09875	0.5
359.20648	4.7
379.92471	0.5
436.70053	0.6
477.22958	0.6
521.10144	1.2
521.19464	4.5
521.27148	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	76.6
61.98815	3.6
66.66644	1.1
69.03452	5.1
69.13035	2.4
69.13448	5.7
71.01379	67.3
72.99309	1.4
73.02939	12.4
75.00854	4.2
77.16108	1.1
81.03466	4.7
83.01394	4.8
85.02977	6.3
87.00877	3.0
89.02441	81.8
93.03432	2.0
95.01421	2.4
97.02934	10.9
98.22591	3.1
99.00886	15.8
99.04504	2.5
101.02433	17.5
111.00874	3.0
113.02447	9.5
115.03989	9.3
119.03555	1.8
122.03817	2.0
125.02444	44.5
127.62621	1.2
127.69606	1.3
131.03514	13.3
136.05307	25.0
139.04013	1.5
143.03484	3.2
149.04575	15.0
154.34349	1.2
161.02451	2.8
161.04515	1.9
162.02768	1.6
173.04573	3.5
185.09720	1.8
191.05620	10.4
206.68394	1.5
215.05792	1.6
227.10771	100.0
228.11192	3.2
233.06667	45.7
236.32878	1.6
253.65738	1.3
276.69141	1.3
293.08771	57.2
294.09183	2.0
415.92010	1.3
465.96011	1.3
493.26077	1.3
521.20282	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	521.203
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
57.03470	0.3
59.01385	1.8
69.68171	0.3
71.01377	3.1
73.02943	1.1
81.95010	0.3
85.02959	1.3
87.00868	0.5
88.98817	0.7
89.01929	0.3
89.02423	1.6
89.19608	0.3
97.06375	0.3
99.00875	0.4
101.02431	0.9
108.02187	1.0
109.02956	11.6
113.02457	0.9
116.92866	0.5
123.04509	0.6
124.01613	0.5
128.03551	0.9
129.06726	0.6
129.98305	0.3
130.08759	0.3
133.30309	0.3
134.03748	0.6
135.04515	1.1
143.03561	0.4
151.04008	0.3
158.03755	0.3
159.03148	0.4
159.04501	5.6
161.04539	1.1
161.05975	0.5
165.05556	0.5
171.04550	0.6
173.06079	3.7
189.05588	4.3
190.06296	0.6
191.05637	0.6
191.07147	2.3
193.05089	0.9
201.05533	0.3
203.07089	2.1
204.71455	0.3
213.05627	0.6
225.05589	0.4
240.04292	1.9
241.05060	11.0
247.78273	0.3
251.06943	0.3
255.06624	7.0
256.07379	0.4
257.02756	0.6
265.08707	0.8
267.06769	1.3
269.08176	1.7
281.08237	1.0
282.09091	0.3
283.09711	0.6
295.09790	0.9
296.10489	0.4
298.08429	1.1
299.09222	7.4
311.09262	0.8
313.10803	9.9
314.11389	0.6
323.14941	0.4
327.12335	0.9
329.10300	4.1
343.11835	2.5
344.12640	34.4
345.12988	0.9
359.14987	100.0
360.15302	2.9
431.21405	0.7
435.11157	1.0
520.29797	0.4
521.20087	2.7
521.26569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95393	0.3
59.01376	1.8
63.45821	0.3
65.34547	0.3
69.00947	0.4
69.09230	2.0
71.01382	2.3
73.02946	1.2
80.70302	0.3
85.02931	1.3
89.02479	1.3
93.03474	0.3
99.00880	0.4
101.02439	1.2
102.34489	0.3
109.86018	0.3
113.02428	1.1
121.02962	3.1
122.03756	1.6
123.04533	1.0
134.03725	0.3
135.04503	0.3
136.05315	1.4
137.02460	0.3
137.06068	0.5
143.05019	0.5
146.03760	0.4
147.04515	1.5
149.02415	0.7
149.04607	0.6
150.03217	1.9
151.04024	0.3
153.05510	0.3
158.03703	2.1
159.04507	6.7
160.05292	24.2
161.04565	0.9
161.06064	6.7
162.06512	0.4
163.04050	1.7
164.04791	2.9
165.05521	0.4
173.06084	3.4
174.06870	1.5
175.07635	20.7
176.04742	0.6
176.07857	0.4
177.05551	3.9
178.06348	11.5
191.05603	0.4
192.07910	6.8
193.08655	2.5
299.12744	0.4
314.11646	0.8
329.13913	100.0
330.14224	3.2
359.15048	4.7
359.19916	0.4
413.24265	0.3
461.19867	0.4
503.24902	0.4
521.26294	1.3
522.20795	0.4
522.28992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.94282	0.5
55.01868	2.3
57.03440	1.3
58.00574	0.4
59.01379	39.1
68.75730	0.4
69.03477	0.6
71.01382	20.9
72.99303	0.5
73.02953	4.3
75.00837	0.4
77.79144	0.4
83.01384	2.8
85.02955	8.5
87.00873	1.6
89.01926	0.9
89.02444	9.9
95.01392	1.8
99.00889	1.1
101.02446	13.3
108.02199	0.8
109.02950	7.2
113.02454	5.7
119.03506	4.3
123.04522	1.2
139.03969	1.1
141.61720	0.5
159.04521	3.7
161.04565	0.9
165.05528	0.7
172.05301	1.7
173.04767	0.5
173.06067	3.1
179.05656	0.9
189.05623	2.2
190.06268	0.5
191.07149	1.8
203.07129	1.9
225.05508	0.5
240.04243	0.8
241.05014	5.1
242.18291	0.5
253.05080	0.9
254.20221	0.5
255.06551	3.0
267.06638	1.2
268.07358	1.0
269.08197	0.8
279.06592	0.7
281.08170	1.5
283.09753	1.1
287.48145	0.4
295.09851	2.4
296.10556	0.8
298.08511	0.7
299.09204	3.1
311.09265	4.0
311.12561	0.7
311.19168	0.5
313.10803	6.7
325.10843	1.1
326.11578	4.3
327.12192	0.7
329.10358	2.4
329.13641	0.5
341.13965	4.2
343.11935	1.6
344.12643	22.0
345.13007	1.5
359.14990	53.8
360.15173	1.4
412.91556	0.5
441.78284	0.4
506.17722	0.6
521.20239	100.0
522.20740	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	521.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98199	1.3
55.01859	1.9
57.03442	1.7
59.01376	100.0
61.98825	3.8
69.03435	1.5
71.01378	15.5
72.99254	1.4
73.02943	6.6
79.79215	1.2
79.84818	1.3
83.01397	2.0
83.93478	1.3
85.02940	7.6
87.00884	2.6
89.02437	4.9
93.03460	6.8
101.02428	9.5
109.06583	2.5
113.02464	6.4
118.31651	1.2
133.02893	2.2
135.04507	1.9
137.01279	1.2
137.02454	4.8
139.04039	1.8
161.04497	3.2
173.04521	5.0
191.03792	1.8
191.05624	18.4
192.05922	2.4
209.11839	4.0
217.01347	3.0
266.51224	1.4
377.67145	1.4
399.23572	3.8
408.01736	1.4
424.09824	1.7
432.13809	1.4
435.25940	1.6
441.25079	2.3
461.31189	1.5
473.57932	1.3
477.26926	4.8
477.32925	1.8
480.24796	1.4
496.19983	1.7
504.71115	3.5
505.21277	2.3
521.17053	2.0
521.33588	15.6
534.18555	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	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04376	0.6
55.01891	0.6
57.03468	1.2
57.30535	0.5
59.01381	18.9
60.99330	0.9
61.98875	0.9
67.01888	3.5
69.03495	2.2
70.72823	0.6
71.01382	12.8
72.99376	0.6
73.02952	4.0
73.76537	0.6
74.13352	0.6
81.03485	0.9
83.01431	1.9
83.05074	1.7
85.02943	6.1
87.00878	0.6
87.61497	0.6
89.02437	8.9
93.03458	26.0
95.01419	0.8
96.02242	0.6
99.00910	1.4
101.02441	11.1
109.02984	1.5
111.00914	1.5
111.04533	4.3
113.02462	9.3
115.03993	0.8
116.85540	0.7
116.92883	1.2
119.03530	2.4
121.02979	0.7
123.04554	0.7
127.04007	0.9
131.03528	0.7
137.02449	5.7
139.04042	1.7
143.03552	0.7
149.04582	1.3
155.03500	3.6
160.05292	1.8
161.04582	1.8
173.04549	100.0
174.04845	1.8
175.07640	2.2
178.06241	0.8
179.05661	1.3
191.05608	1.8
193.08620	1.8
237.07669	10.0
245.08131	1.0
295.59161	0.7
301.73309	0.6
323.11237	1.4
329.13837	6.3
347.17111	22.1
348.17377	1.0
359.20859	1.3
407.23248	11.0
485.16040	1.6
521.21838	26.6
522.22479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17735	1.1
50.74559	1.2
54.46471	1.0
55.01870	1.8
57.03457	2.1
59.01377	34.7
59.32879	1.0
60.43877	1.1
61.98819	4.2
69.03452	2.6
69.83847	3.0
69.84187	2.0
71.01379	47.2
73.02937	13.5
75.00908	1.6
81.03419	1.7
83.01385	4.8
85.02944	14.4
87.00861	2.5
88.98798	1.3
89.02444	28.6
93.03460	1.4
95.01382	2.9
97.02941	3.2
98.21929	2.4
99.00876	6.0
101.02444	19.9
109.02951	7.2
113.02460	14.7
115.04006	4.7
116.92866	3.7
119.03506	3.7
120.87736	1.1
125.02451	14.0
126.08624	1.2
128.03537	1.6
131.03532	6.0
134.03732	3.5
135.04553	4.3
143.03494	3.4
144.71408	1.2
149.04544	3.5
159.04475	1.3
161.04539	10.4
163.03990	1.2
165.00253	1.4
165.05585	2.7
166.84657	1.0
173.06110	1.4
179.05641	2.0
189.05547	1.7
190.06297	1.7
191.05632	4.1
193.05009	3.0
233.06650	7.2
235.06052	1.9
241.04999	3.5
241.11971	1.7
248.86113	1.2
255.06439	3.1
258.03613	5.8
273.05920	2.3
293.08755	16.9
299.09216	3.1
311.09219	3.1
313.10855	3.3
329.10349	2.8
329.16031	1.9
341.13870	2.4
344.12610	14.8
359.11395	2.8
359.15012	39.0
359.19495	1.7
360.15228	2.7
391.67224	1.3
461.20279	100.0
462.20731	3.0
499.22910	1.2
521.18652	2.0
521.26526	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16275	1.0
55.01859	2.4
55.15929	0.8
57.03443	3.2
59.01380	37.1
61.98826	2.1
68.21816	0.8
68.86124	0.7
69.03438	1.1
69.56792	0.8
71.01381	28.9
73.02944	14.4
75.00825	0.9
82.09959	0.9
83.01384	8.4
83.05037	1.7
85.02950	15.6
86.00104	2.6
87.00875	2.8
88.98804	0.9
89.02447	8.8
93.03456	6.8
95.01402	2.4
96.96010	1.6
97.02927	1.3
99.00862	6.1
99.93512	1.1
100.93353	2.4
101.02439	39.6
109.02917	1.0
111.00854	1.2
111.04523	7.5
113.02462	12.0
115.92097	1.6
116.92870	5.9
119.03466	1.5
125.02432	1.6
129.01906	1.8
131.03470	1.1
135.04533	2.7
137.02457	2.1
139.03975	1.1
143.03505	1.2
145.02962	1.3
149.04587	1.0
153.09109	1.2
155.03497	6.2
159.02968	2.1
161.02396	2.5
161.04520	3.7
165.05624	0.9
173.04549	22.3
185.11780	2.6
191.05537	1.8
245.08214	1.1
301.16922	1.1
307.08011	1.2
323.07489	0.9
342.39847	0.9
344.22656	0.9
347.17087	100.0
348.17447	3.0
389.21857	2.3
407.23102	2.1
461.20282	2.1
480.37534	1.1
521.21863	67.8
522.22791	3.6
541.98657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01320	2.5
61.98827	4.3
73.64100	2.9
77.28780	2.6
96.95963	2.9
105.03439	7.9
117.12230	2.4
133.02962	43.9
134.03757	14.1
135.04491	3.5
148.05353	4.5
148.12456	2.5
159.22200	2.6
160.01678	25.1
161.02464	18.3
175.04012	53.5
193.04988	5.0
230.17491	3.0
271.22818	11.6
306.75354	2.9
308.28400	2.4
328.43423	2.7
415.24872	8.5
429.26505	18.0
433.25986	3.5
447.27411	33.3
521.31177	100.0
522.31384	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	521.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
69.45528	2.6
77.04021	0.7
78.91872	0.6
78.95905	1.8
88.36172	0.6
89.02467	0.6
95.05029	2.1
98.21902	1.4
98.50170	0.7
99.92599	1.4
100.92602	0.7
105.03456	8.0
121.02921	0.7
132.02161	3.8
133.02953	35.0
134.03754	10.6
135.04553	3.1
137.02457	1.4
139.04070	0.7
148.05270	2.3
149.02428	0.8
149.06073	1.3
152.99615	1.2
160.01657	22.4
160.03008	1.1
161.01079	1.1
161.02429	17.5
161.06104	2.6
162.03220	1.0
175.03990	57.1
177.01894	2.6
178.02690	1.8
179.03465	2.3
181.00294	0.7
190.10202	0.8
193.04999	5.0
233.08208	0.8
247.09790	1.2
261.11240	1.1
264.99390	0.7
271.22849	8.1
275.12924	1.6
279.23276	9.9
289.14447	1.6
293.14362	0.8
303.15936	1.1
317.17758	1.1
327.19742	1.1
341.20734	0.7
345.20630	3.3
347.25940	1.5
359.22260	1.5
361.27560	2.5
387.25238	1.0
415.24854	8.3
429.26367	19.4
429.31873	1.0
433.25952	2.7
447.27536	32.9
448.27753	1.0
475.27267	1.3
485.25336	1.2
506.28699	2.5
521.31177	100.0
522.31360	3.5
548.36072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39283	4.0
76.12709	0.7
78.95893	2.8
107.05019	5.5
110.98535	2.0
121.06593	1.0
135.04520	14.6
136.05275	2.6
139.75702	0.7
148.05316	1.2
149.06041	2.6
154.89824	1.2
175.03975	14.0
181.10081	0.9
185.02042	1.0
186.63680	0.8
189.05644	2.2
194.34137	0.9
225.09151	5.1
226.09975	10.6
227.10756	11.9
239.10770	6.0
240.11476	3.7
266.09464	21.3
279.10266	2.8
279.23267	31.1
280.23605	1.9
293.21399	1.1
327.19464	1.0
360.20847	1.5
365.21024	2.3
378.21994	1.7
391.19080	2.3
409.20013	3.4
412.25702	1.0
423.29141	4.0
447.25125	9.6
503.31509	4.8
521.32684	100.0
522.32886	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03448	6.2
58.00600	0.3
59.01379	40.4
60.01694	0.6
61.98830	11.0
68.99809	0.4
69.03452	1.4
69.11591	0.6
69.11994	1.5
71.01380	29.1
71.05000	0.6
72.01716	0.4
72.99299	0.7
73.02948	10.4
75.00869	0.4
81.03387	0.3
83.01393	5.0
83.05015	0.6
84.02151	0.3
84.39889	0.3
84.95132	0.4
85.02950	14.6
85.06586	0.9
86.00101	0.8
87.00877	2.8
87.04490	0.4
89.02442	9.6
93.03468	2.3
93.07121	0.6
95.01391	2.1
95.05034	0.8
97.02948	1.1
97.06562	1.1
99.00889	3.1
99.08202	0.4
101.02440	21.0
101.77666	0.3
103.01476	0.3
103.04025	0.9
107.05021	0.6
108.02186	0.7
109.02947	2.3
111.00884	3.2
111.04541	0.5
111.08183	0.7
113.02452	12.2
116.92865	1.1
119.03484	3.2
120.02228	0.3
121.02970	2.8
123.04523	0.5
125.02423	0.9
129.01910	1.1
131.03456	0.4
135.04533	0.8
136.05241	0.5
137.02454	0.8
139.04010	3.5
140.04355	0.9
141.01985	0.4
141.04515	0.3
141.09180	0.6
143.03494	1.7
149.02454	0.4
151.03992	1.2
151.07643	2.3
153.01897	2.2
153.05577	0.5
153.12872	1.2
155.03459	0.5
159.02988	1.8
159.10246	1.0
161.04556	5.4
166.01385	0.4
171.13831	0.7
173.04507	1.3
173.11801	1.1
177.01965	0.5
179.03610	0.3
179.05614	1.3
179.10785	0.4
185.15399	1.8
187.03989	0.4
191.05643	3.9
195.06664	0.4
197.11787	1.0
199.17030	1.1
201.11417	0.4
201.14996	0.4
211.17076	0.4
221.06677	0.4
229.18095	1.2
247.08176	0.8
255.10226	2.8
256.10580	0.7
273.11298	4.2
274.11609	1.7
283.13165	0.8
315.07202	0.3
315.25339	1.1
317.09140	0.7
317.27225	0.4
333.19116	1.4
347.20688	0.9
359.28015	11.8
360.28278	0.3
371.20810	0.5
373.22290	0.8
380.76944	0.4
391.23227	2.0
407.22064	0.4
441.25470	0.4
461.31339	2.6
477.31027	0.5
479.32095	0.8
503.32123	0.4
521.33325	100.0
522.33649	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	522.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43579	0.7
55.44727	0.7
59.01376	72.7
60.01710	3.4
61.98828	100.0
70.56407	1.4
71.01376	8.4
73.02940	27.1
75.00849	1.6
83.01386	4.5
84.22997	0.8
85.02962	0.8
96.99705	0.7
97.02926	1.1
99.00853	1.0
101.02449	13.3
106.04237	1.8
113.02459	2.8
125.01628	1.2
125.02524	1.8
126.99548	2.1
127.33145	0.9
131.08685	1.0
138.14177	0.7
143.03532	1.6
155.03513	1.5
158.81253	0.8
161.04620	2.1
167.06319	34.0
174.02315	0.8
181.00650	3.4
203.05629	3.0
209.11812	0.8
211.05309	14.0
215.72835	0.8
225.06865	30.1
245.32230	1.0
253.06358	19.3
257.11798	9.9
258.12137	6.1
283.07504	1.2
313.08801	0.8
339.23038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.9
61.98821	4.1
64.71485	1.0
65.58502	0.9
69.03445	1.1
71.01373	4.9
73.02951	2.7
74.02445	1.0
74.99087	1.1
83.02681	0.9
85.02939	2.2
87.00883	2.5
89.02444	2.6
93.03435	1.0
96.04590	1.0
101.02448	3.1
113.02439	2.4
114.33619	1.0
118.98032	1.3
123.04445	1.3
158.64053	0.9
166.41216	0.9
191.05573	4.0
201.65742	1.0
224.02911	1.6
224.04796	19.3
225.03726	3.3
225.05644	4.9
229.03218	1.2
238.00887	1.0
239.07137	15.2
240.02505	8.8
240.07896	11.8
253.03305	4.0
255.04808	4.1
258.03534	2.7
272.04993	1.1
273.05890	51.3
307.54068	1.0
332.65820	1.2
434.21729	1.9
435.11148	100.0
436.11359	3.7
463.22049	4.5
478.28394	3.2
504.26920	1.2
522.14087	7.1
522.27393	7.5
523.27667	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	522.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43696	0.5
59.01371	1.3
61.98816	2.0
69.34550	1.1
69.34956	1.7
71.01378	0.9
72.76369	0.5
75.89340	0.5
80.73714	0.6
88.31520	0.5
89.02393	0.5
92.82725	0.5
95.00963	0.5
98.22678	1.0
100.93383	0.6
101.02406	0.6
107.05025	1.1
107.26950	0.5
113.02428	0.6
115.92006	0.7
116.92905	1.1
123.23241	0.5
126.39439	0.5
134.03738	2.9
135.04550	3.2
136.04826	1.0
165.05559	1.6
178.02641	1.3
179.03041	0.9
191.00371	0.5
191.05573	0.7
193.05057	4.4
194.05423	3.0
197.06111	0.7
226.06329	4.4
227.65480	0.6
229.03265	44.1
230.03589	0.8
239.07082	1.2
240.08028	0.7
241.08676	11.7
257.02768	36.8
258.03497	10.4
271.04376	1.5
272.05115	85.7
273.05878	17.9
274.06357	0.6
287.03854	0.8
312.09583	1.4
313.57626	0.5
329.13980	0.6
330.14111	1.7
360.08835	7.6
360.15619	1.2
420.08841	1.5
435.11154	100.0
436.11349	5.1
462.17328	0.7
522.14368	5.3
522.27252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43696	0.5
59.01371	1.3
61.98816	2.0
69.34550	1.1
69.34956	1.7
71.01378	0.9
72.76369	0.5
75.89340	0.5
80.73714	0.6
88.31520	0.5
89.02393	0.5
92.82725	0.5
95.00963	0.5
98.22678	1.0
100.93383	0.6
101.02406	0.6
107.05025	1.1
107.26950	0.5
113.02428	0.6
115.92006	0.7
116.92905	1.1
123.23241	0.5
126.39439	0.5
134.03738	2.9
135.04550	3.2
136.04826	1.0
165.05559	1.6
178.02641	1.3
179.03041	0.9
191.00371	0.5
191.05573	0.7
193.05057	4.4
194.05423	3.0
197.06111	0.7
226.06329	4.4
227.65480	0.6
229.03265	44.1
230.03589	0.8
239.07082	1.2
240.08028	0.7
241.08676	11.7
257.02768	36.8
258.03497	10.4
271.04376	1.5
272.05115	85.7
273.05878	17.9
274.06357	0.6
287.03854	0.8
312.09583	1.4
313.57626	0.5
329.13980	0.6
330.14111	1.7
360.08835	7.6
360.15619	1.2
420.08841	1.5
435.11154	100.0
436.11349	5.1
462.17328	0.7
522.14368	5.3
522.27252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52829	0.6
59.01377	3.3
61.52620	0.6
61.98826	100.0
69.68298	0.5
69.95175	0.5
71.01387	2.5
74.44553	0.5
85.02959	0.8
89.02447	0.9
95.52996	0.5
101.02419	1.6
105.87288	0.5
113.02460	1.3
114.05594	0.7
119.03480	0.6
121.02959	1.2
139.11366	0.8
146.06100	0.7
147.04532	1.1
150.03241	1.3
159.04506	2.4
160.05286	9.1
161.04462	0.8
161.05798	5.4
162.06494	0.9
163.04047	0.9
164.04799	1.0
173.06171	1.0
175.07631	9.3
176.08000	4.7
177.05600	2.0
178.06352	5.5
179.06702	2.3
183.10245	13.0
191.05577	1.0
192.07919	2.5
193.08516	2.2
194.09036	0.8
281.17569	0.7
329.13904	20.3
330.14258	45.2
345.15631	2.4
360.15540	1.2
385.69809	0.5
393.70572	0.7
459.18726	1.1
522.26221	0.7
545.06305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87050	0.2
59.01376	33.2
61.53683	0.3
61.98827	100.0
69.13854	1.6
71.01377	1.7
73.02956	0.6
85.02947	0.6
89.02471	0.4
101.02428	1.5
106.74302	0.3
113.02484	0.8
139.04063	0.4
161.04611	0.5
188.57442	0.3
284.03326	0.7
285.03619	0.8
299.05688	0.6
300.05997	1.1
373.22107	2.2
415.23318	1.9
522.13287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52014	0.3
55.39362	0.3
59.01375	0.7
59.36314	0.3
79.26608	0.3
80.59725	0.3
85.02990	0.7
87.04543	1.0
89.02496	0.3
93.43385	0.3
106.35947	0.3
113.00978	0.5
113.02507	0.5
115.03997	1.7
116.92950	0.6
126.98914	1.0
139.02550	0.5
143.02080	0.7
144.87399	0.3
145.03572	2.1
153.00450	3.6
153.04155	0.4
155.02089	1.2
155.79318	0.3
159.02974	2.3
169.03638	0.7
179.01978	0.6
180.99834	0.5
181.01263	2.3
195.05215	0.3
196.98569	2.5
197.03119	0.5
199.01003	6.6
199.02776	0.5
199.04689	0.8
201.00903	0.4
210.99495	5.4
211.01363	0.4
213.01018	1.9
214.98836	1.0
222.99492	0.5
223.04671	1.0
231.02197	0.4
238.98962	38.5
239.99071	2.2
241.00052	0.6
241.02139	8.5
251.04155	1.4
253.02161	2.1
254.96848	0.4
257.00018	23.0
258.00192	1.1
262.99350	0.3
263.02594	0.8
265.00592	0.5
265.04172	1.0
267.02023	0.5
271.03067	3.5
273.01102	0.4
279.02118	3.4
281.00061	1.7
281.03690	3.2
282.98138	0.4
283.05359	0.8
289.00327	0.4
291.02094	5.5
292.02319	0.3
293.03729	1.6
294.99759	0.4
301.00613	0.6
301.04147	1.0
301.09390	0.4
307.01605	14.5
308.01755	1.0
309.03152	68.8
310.03357	3.2
311.04459	1.0
316.99899	0.7
319.01553	11.4
320.01657	0.6
325.00858	1.0
325.04321	0.4
337.02682	6.1
338.02994	0.4
344.99402	2.0
361.06128	1.0
363.00565	100.0
364.00687	7.2
365.00336	0.5
378.98328	1.4
381.01727	0.6
444.99716	1.4
445.18045	1.1
461.04202	0.7
462.97382	0.5
479.05386	0.4
523.04138	35.0
524.04437	2.3
524.12207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41169	2.5
62.12584	2.3
68.94634	2.4
69.74871	5.7
69.75232	4.1
91.25237	2.7
99.04517	8.6
114.30234	2.2
115.04026	6.1
125.57738	2.2
130.90794	2.6
130.96562	3.1
143.03488	29.1
158.72363	2.4
161.04465	3.2
170.99762	9.5
173.01317	4.4
197.04965	5.6
198.99268	2.7
213.00729	5.9
217.00272	21.5
225.04395	4.3
253.03940	4.2
259.01392	17.6
281.03320	4.5
297.02933	26.7
313.02512	2.9
325.02213	10.8
327.81897	2.5
343.03455	100.0
358.92410	2.8
361.04532	86.5
483.67624	2.8
523.00385	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	523.122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67197	0.4
52.68425	0.4
57.62345	0.4
59.01376	7.3
66.95926	1.9
71.01388	2.1
73.02950	6.4
75.00851	1.0
75.43636	0.4
80.91659	0.6
82.95415	100.0
83.01386	0.9
89.02456	0.6
99.92543	0.4
101.02447	2.8
113.02445	1.0
116.92863	0.9
118.96629	0.9
122.03729	0.4
125.06078	0.9
135.04515	4.0
136.05292	4.6
137.06181	0.4
143.00237	1.0
151.07639	8.4
157.73415	0.4
161.04565	0.6
221.06577	0.4
242.09470	13.7
257.11819	19.4
370.23923	0.4
479.19263	5.0
519.48212	0.5
523.27643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
64.25028	0.2
69.39387	1.2
71.01357	0.3
73.02938	0.4
75.00862	0.7
89.02412	0.3
99.92590	8.3
100.92643	0.4
100.93339	0.5
115.04001	0.4
116.07150	0.3
116.92863	100.0
117.01957	1.1
117.92875	2.1
120.01221	0.3
131.03310	0.3
139.04059	0.3
298.57477	0.3
523.07703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98829	6.5
69.23235	2.2
69.23634	5.2
78.95903	1.7
92.02674	1.6
93.03460	60.8
98.22695	2.3
111.72957	1.4
136.01642	3.5
137.02454	100.0
152.99544	1.2
157.17606	1.2
162.03293	1.7
175.04022	2.8
178.02707	4.3
180.01691	1.4
193.05057	5.7
217.00421	1.7
254.26826	1.6
313.07202	6.9
395.29044	1.2
465.22757	1.9
523.15710	1.8
530.84351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98918	0.5
59.01384	7.3
66.95906	2.4
69.32208	1.3
69.32591	1.3
71.01372	2.2
73.02942	4.0
75.00892	1.3
77.55582	0.5
80.91663	0.9
82.95416	100.0
83.01385	1.2
99.92616	0.8
101.02454	2.7
108.22131	0.5
108.83618	0.6
113.02518	0.6
114.16862	0.5
116.92870	1.1
122.03748	0.6
125.06089	1.0
126.32025	0.6
135.04504	4.0
135.57742	0.5
136.05304	3.8
139.03954	0.6
143.00186	1.7
143.03340	0.6
151.07639	7.2
153.30042	0.7
242.09474	12.8
257.11829	19.5
258.11978	0.6
324.31454	0.7
335.50363	0.7
479.19357	4.8
523.27527	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	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
57.03441	3.0
58.00579	1.3
59.01378	67.3
60.20996	1.0
61.98835	8.1
69.03448	3.0
69.34064	2.1
69.34463	3.5
71.01381	61.4
72.99287	0.9
73.02947	17.3
74.02476	4.2
75.00890	1.1
77.83046	0.8
81.03481	1.5
83.01380	5.3
85.02950	20.2
87.00867	5.6
88.98787	4.9
89.02442	48.8
95.01377	4.6
95.43245	1.0
97.02962	2.3
99.00896	5.2
101.02441	54.7
111.13676	0.9
113.02445	35.6
116.92867	2.3
119.03498	17.2
123.04514	1.6
125.02447	3.2
131.03508	5.4
133.52243	0.9
134.70424	1.0
139.03998	1.7
143.03487	7.0
149.04581	2.7
153.05513	1.4
159.02998	2.9
161.04556	24.2
175.07628	2.7
179.05606	40.9
191.05521	1.4
209.11871	3.2
221.06667	11.0
237.07687	1.8
247.11859	2.9
365.86658	0.9
409.17099	100.0
410.17468	3.2
463.21921	12.3
481.26337	1.1
523.28473	7.9
524.30530	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	523.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
69.62936	1.3
69.63304	1.5
93.03412	0.8
98.92767	0.6
111.56531	0.7
121.02942	1.0
131.59010	0.7
137.02467	1.4
157.06587	1.7
163.64580	0.7
165.61769	0.7
181.06554	1.0
183.08191	0.9
204.63136	0.8
209.06102	1.2
212.04691	0.8
225.05540	1.8
226.06248	1.5
227.07121	36.4
228.07558	1.3
237.05472	1.0
238.06250	1.8
239.03395	1.1
239.07112	4.2
240.07890	2.6
252.07947	0.9
253.05077	2.0
253.08678	3.3
254.05792	3.1
254.09525	0.9
255.06619	81.5
256.07071	1.9
269.08246	2.8
269.11551	0.9
270.08926	11.8
353.45087	0.8
369.11240	0.9
371.12445	0.9
475.15454	1.7
479.84711	0.7
491.18466	2.1
493.16492	4.2
507.17969	0.8
508.18854	16.1
523.21240	100.0
524.21490	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	523.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.2
61.98821	1.8
70.44278	1.2
74.15092	1.3
148.05338	2.5
202.48109	1.1
209.06049	2.2
210.06821	1.4
238.06383	6.2
249.87181	1.1
253.08698	7.0
269.11835	7.0
341.11777	1.5
342.12509	1.6
354.08951	2.4
356.10416	1.3
368.10413	4.5
369.11276	70.5
370.12021	47.3
371.12613	2.7
402.11047	6.2
461.13742	1.3
475.15540	5.1
489.16846	2.6
491.18607	100.0
492.19244	8.5
523.21283	71.0
524.21655	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	523.2184
Annotation	Excavatolide D
Peak:m/z	Relative Intensity
59.01380	100.0
61.57093	2.4
61.98833	16.1
68.62296	2.3
69.09609	6.8
69.10003	11.6
71.01379	32.4
73.02943	55.4
75.00848	3.3
79.56488	2.6
83.01395	13.2
85.02940	11.2
87.00876	3.3
89.02448	11.8
93.03470	4.7
101.02443	42.1
102.98628	3.6
106.04248	6.7
113.02458	17.3
119.03501	5.4
121.02904	3.9
131.03590	3.2
134.99727	2.7
137.02496	3.4
137.06104	4.5
143.03555	4.9
149.04552	3.6
150.06857	4.9
161.04591	12.7
165.05634	4.2
173.04544	2.8
184.29092	2.9
221.06557	3.0
235.38135	2.6
241.12300	3.7
245.11943	3.0
259.13354	3.8
265.18066	2.8
268.10947	3.9
275.54727	3.1
283.13480	5.0
286.11911	5.9
301.14432	69.6
319.15518	24.5
463.19617	4.4
481.20807	19.8
523.21924	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	523.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31239	0.5
60.99305	7.6
71.10949	0.9
78.95902	42.1
88.98805	51.7
96.96964	5.1
97.34850	0.5
109.31116	0.6
133.60114	0.6
150.98016	1.3
152.99585	100.0
153.99937	1.5
171.00652	3.2
186.86577	0.8
218.90851	0.5
242.89235	0.8
279.23282	2.1
400.36908	0.6
409.03766	0.6
433.23569	35.4
434.23999	1.2
436.25330	1.7
543.82037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36617	1.4
57.03432	2.8
59.01379	36.3
59.34432	1.2
69.01098	1.2
69.03439	1.5
69.09495	9.0
71.01376	35.0
73.02950	10.9
75.35273	1.4
83.01379	4.7
85.02956	9.8
87.00867	5.9
88.98789	10.6
89.02437	26.0
95.01379	2.1
96.96000	1.8
97.02930	2.1
98.21891	3.0
99.00855	7.9
101.02438	21.9
109.38548	1.4
113.02461	13.9
115.03985	2.1
119.03491	3.6
121.03017	2.1
125.02402	2.4
131.03506	2.4
131.74330	1.6
134.03703	2.3
141.53519	1.3
149.04533	4.0
149.06003	1.6
159.02873	1.8
160.63965	1.6
161.04568	7.6
165.05531	2.0
167.03490	2.7
191.05606	4.7
233.06546	1.6
269.07861	1.6
311.07999	1.4
331.17596	7.5
346.14273	1.6
361.16586	8.6
361.22208	1.9
396.93585	1.5
435.22034	5.7
436.17642	1.5
463.21817	100.0
464.22119	3.8
479.25122	3.3
523.27881	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01355	0.7
55.01873	1.2
57.03438	1.6
59.01376	13.0
61.98553	0.8
71.01382	22.7
73.02940	11.2
78.90040	1.0
83.01387	3.5
85.02950	9.3
89.02437	7.6
95.01380	1.4
97.02859	0.8
98.21883	2.2
99.00880	3.8
101.02441	17.5
107.45938	0.9
113.02451	8.4
115.04042	1.0
119.03497	1.4
125.02437	2.2
143.03467	2.0
159.03011	2.9
161.04555	14.1
222.47762	0.9
233.06650	0.9
280.88202	0.8
331.17691	8.4
463.21826	100.0
464.22269	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03452	2.1
59.01378	35.8
69.03493	0.6
71.01382	24.3
71.42744	0.7
73.02939	8.6
74.02455	0.6
75.00856	0.7
83.01396	2.6
83.05014	0.7
85.02952	8.2
87.00864	1.3
87.04538	1.9
88.98816	1.0
89.02439	19.1
93.03450	1.6
95.01366	1.2
96.95997	0.7
97.02934	0.8
99.00866	3.1
101.02440	19.1
111.00907	0.9
111.08199	0.7
113.02454	10.2
115.04024	0.7
115.07642	0.6
119.03497	5.1
123.08159	1.4
125.02455	1.3
125.06078	0.7
125.09708	1.4
131.03503	2.3
135.04607	0.7
135.08139	0.9
137.02380	0.8
143.03534	1.1
145.08711	1.4
149.04536	6.0
153.09262	3.3
155.10849	0.8
161.04591	4.8
173.04576	3.2
174.04955	0.6
175.04965	0.9
179.05669	1.2
191.05614	2.6
209.11858	1.9
216.26962	0.6
217.10815	1.8
273.17010	0.7
301.20129	0.6
315.21936	0.7
331.17667	2.8
343.21259	1.9
349.18549	2.2
361.22263	16.8
362.22562	0.6
409.16962	4.6
463.21579	25.9
464.22263	1.0
478.17014	1.8
482.49319	0.8
523.27649	100.0
524.27972	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	523.276
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
55.01877	3.9
57.03431	3.3
58.00580	1.2
59.01378	83.9
61.98811	2.0
69.03461	4.3
69.15707	4.7
71.01380	63.2
72.99310	2.6
73.02940	22.1
74.02463	2.6
75.00872	2.3
83.01378	10.4
85.02950	20.8
87.00883	4.0
87.04505	1.9
88.98809	2.0
89.02444	35.5
94.97277	1.0
95.01402	4.3
96.95975	1.9
97.02927	2.6
99.00868	8.1
99.04471	1.1
101.02441	48.7
101.03108	2.5
113.02456	28.2
115.04002	1.2
116.92857	1.2
119.03507	14.8
125.02423	2.5
125.09745	2.2
131.03471	4.6
139.04045	1.5
141.09135	1.6
143.03514	4.3
147.31256	1.0
149.04565	5.9
153.09204	4.0
155.10800	1.2
159.03033	1.7
161.04544	20.9
177.01923	1.7
179.05591	8.4
191.05666	2.7
201.11288	1.5
209.11873	5.3
217.10822	2.7
227.12906	1.8
247.11777	3.5
263.07996	1.4
301.10858	1.7
330.10086	1.2
331.17517	4.9
331.41299	1.3
343.21313	1.3
361.22281	14.6
409.17087	44.5
410.17386	2.2
463.21527	44.6
464.22125	1.3
478.17200	5.1
523.27631	100.0
524.28235	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	523.2909
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
57.02100	0.2
59.01375	2.6
61.98814	0.3
62.15930	0.2
62.81174	0.1
70.55951	0.3
73.02946	0.2
85.02943	0.4
93.03455	0.2
101.02425	0.6
113.02412	0.2
158.20349	0.2
173.21268	0.2
176.37413	0.2
177.79309	0.2
191.05716	0.2
319.22708	4.3
403.24838	0.7
463.26962	14.3
464.27667	0.3
481.28030	20.7
482.28433	1.1
523.29089	100.0
524.29401	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	524.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	59.6
60.99301	13.0
61.98816	7.7
71.01355	15.5
71.43224	2.5
73.02950	9.3
85.02949	4.6
88.98806	100.0
89.02448	10.9
94.34375	2.5
99.00929	2.5
101.02448	11.2
110.71014	2.1
113.02449	7.9
114.05627	2.7
119.03467	2.3
161.04472	3.8
165.14117	2.2
174.61813	2.5
281.05576	3.2
362.16666	4.4
376.08923	2.4
376.13940	2.6
408.62009	2.6
434.21793	13.4
464.22131	28.9
524.11041	4.5
524.28180	15.1
525.29504	6.0
548.21234	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	524.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48380	0.6
61.98827	100.0
68.16467	0.6
70.15862	1.3
70.16184	0.6
136.21628	0.6
149.51729	0.7
195.93233	0.9
197.27135	0.7
217.00427	0.6
241.45021	0.6
312.37247	0.7
322.92108	0.6
338.76849	0.7
503.55801	0.7
537.92310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40429	0.4
59.01374	16.2
61.98826	2.7
68.65086	0.4
69.03458	0.6
71.01373	5.4
73.02950	1.4
74.04567	0.4
85.02943	1.8
87.00881	1.0
89.02441	6.0
89.05201	0.4
93.03461	1.6
96.99525	0.4
97.01179	0.8
101.02432	3.3
102.85413	0.4
113.02441	4.0
119.03468	2.6
121.02977	0.7
121.90852	0.4
122.03722	1.0
123.04499	2.0
125.00660	5.1
125.02468	0.7
134.03769	3.6
135.04518	0.7
137.02441	1.0
139.03984	0.7
143.03441	0.8
151.04018	1.3
151.07608	0.6
151.99294	0.5
153.00151	55.3
154.00706	0.4
161.04596	0.8
166.02667	0.5
167.01784	0.7
167.03516	1.8
173.04605	0.7
179.05585	5.6
191.05598	0.9
205.08684	0.4
209.11841	0.6
221.08073	0.6
231.10359	0.9
273.11444	0.8
288.04755	0.8
288.93829	0.5
289.05347	2.9
289.18182	0.4
303.06979	4.6
304.07733	34.2
305.08496	1.9
313.09244	1.7
314.10010	2.7
319.10062	100.0
320.10461	3.6
321.13400	0.7
345.07925	2.8
363.08948	2.4
411.16403	2.1
455.26166	2.1
463.31100	0.5
481.15363	7.9
481.31757	1.8
482.15652	0.5
489.27219	1.0
524.35260	0.5
525.14282	27.6
525.30750	8.7
526.14703	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
57.03429	0.6
59.01379	36.7
61.98828	10.5
69.03445	1.2
69.27559	2.9
71.01381	17.5
73.02945	2.3
78.98584	0.6
79.02470	0.6
79.95761	0.9
80.67267	0.6
80.96519	6.8
83.01377	1.2
85.02953	4.5
87.00864	2.0
88.98752	0.9
89.02444	12.8
93.03465	1.5
94.98079	1.1
95.01392	1.2
99.00880	1.4
100.27271	0.6
101.02441	10.3
106.98043	0.7
109.02979	1.0
109.23515	0.5
111.04482	1.3
113.02439	6.1
116.56871	0.6
119.03495	4.7
119.04980	0.8
121.02926	0.7
124.42738	0.5
125.23495	0.5
135.04507	2.1
137.02481	0.6
139.04053	2.7
146.03691	0.6
149.04706	0.6
158.03735	0.7
159.04518	1.6
164.98608	1.4
172.05334	1.3
173.04602	1.4
173.06073	2.7
179.05522	1.0
187.04059	1.1
187.07645	15.0
191.05582	2.9
193.60806	0.6
197.11835	1.6
201.05582	3.3
202.06351	21.4
202.08189	1.3
203.10757	0.9
213.09239	0.9
216.07860	1.3
225.00723	1.7
231.10243	19.8
249.11299	0.9
259.82077	0.6
363.23822	0.7
370.20023	0.7
382.12900	0.6
399.72708	0.6
411.16589	100.0
412.16971	4.2
508.16696	0.6
516.63715	0.6
525.16302	11.5
525.29700	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	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.36028	0.8
58.08665	0.7
59.01380	100.0
61.98836	11.2
68.63868	0.8
69.03453	1.6
69.72935	0.7
70.87020	1.1
71.01380	28.5
72.99304	0.9
73.02948	70.5
75.00885	0.7
80.38254	0.9
81.03478	1.1
83.01385	16.1
83.01884	1.1
85.02933	5.6
86.00097	0.8
87.00890	3.2
89.02449	6.4
93.03465	4.2
97.02983	1.3
99.00890	2.0
101.02446	44.1
102.98647	1.1
113.02450	11.2
119.03507	2.6
121.02988	5.6
125.02456	8.9
131.03516	3.2
134.03745	1.6
136.05321	9.1
137.02455	6.5
138.03119	0.9
143.03488	3.1
147.28336	0.8
149.04587	2.5
151.03967	1.2
151.07677	1.6
155.03517	1.5
161.02409	1.7
161.04581	8.0
168.04282	0.9
191.05605	1.2
197.14674	1.0
243.10295	1.1
277.14392	2.8
285.11319	4.8
287.12897	5.6
303.12378	30.7
349.16455	1.0
439.19598	2.1
507.18878	1.4
525.19788	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	525.2281
Annotation	Cochinchinenene A
Peak:m/z	Relative Intensity
65.81474	0.5
69.38463	1.7
83.01799	0.5
106.04245	1.5
121.06574	0.8
124.30753	0.5
135.04552	2.0
136.05305	9.8
137.06088	14.0
138.46925	0.4
149.06091	5.9
150.06879	1.0
154.95984	0.4
159.55177	0.4
164.04793	8.4
165.05563	22.5
166.05879	0.5
196.08948	5.8
210.06886	1.1
211.07639	10.2
211.11179	1.1
223.62424	0.6
224.08420	20.6
225.09142	2.0
226.09862	0.9
227.10771	0.7
237.09145	1.4
238.06360	0.5
239.07120	12.4
239.10780	21.6
240.07895	19.2
241.08603	1.0
253.08615	0.7
254.09489	6.5
255.10262	18.8
256.10962	2.4
257.11807	7.2
269.11810	2.2
270.09082	0.5
271.09851	0.6
285.11328	17.1
286.12088	12.2
323.12787	0.7
389.13950	0.8
404.15878	0.9
510.20746	1.1
519.57526	0.5
525.22797	100.0
526.23187	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	525.2703
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
55.01871	1.0
57.03447	2.2
59.01378	3.6
61.98819	0.8
69.03459	9.6
69.31274	2.6
71.01368	2.4
71.05018	2.9
80.02669	1.1
81.03456	2.4
83.01388	2.1
83.05032	6.9
84.02164	1.7
93.03471	0.8
95.05043	1.1
97.02954	1.0
97.06583	2.2
106.30546	0.6
108.96252	0.6
109.06625	1.0
109.07520	0.6
123.08210	3.1
125.06142	0.9
125.09727	5.9
135.08180	1.3
137.02464	1.0
137.09685	0.9
149.09753	1.3
151.11298	6.3
153.12920	2.0
161.09718	10.6
163.11298	6.7
165.12804	3.3
179.10780	27.7
180.11121	1.0
181.12401	1.1
185.11909	1.5
191.10814	1.5
197.11833	87.7
198.12173	1.5
209.11821	76.2
210.12213	1.4
223.09775	4.3
225.11345	1.3
227.12891	10.0
241.10815	13.3
297.13437	5.9
309.88153	0.7
315.14450	17.6
316.14746	1.0
389.23175	1.7
463.26581	1.7
507.25861	2.8
525.27008	100.0
526.27313	5.4
531.24536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	79.0
61.98828	100.0
68.92726	59.4
71.20902	77.3
80.82902	55.3
87.94530	55.9
90.40430	63.9
144.83519	64.3
167.65515	52.3
192.84645	63.8
207.19530	58.4
219.32323	55.4
222.76865	53.9
242.23749	65.1
353.34973	58.9
417.79761	81.5
504.25818	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.318
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60022	3.7
67.31158	3.9
69.11641	15.7
69.12041	9.4
81.52333	3.9
85.25755	3.5
86.10303	4.6
97.27650	3.8
106.71474	3.7
111.46161	4.1
123.00871	5.9
136.04056	7.4
138.03256	17.1
153.05557	16.3
167.02203	5.3
179.02235	15.2
180.03036	8.7
182.04533	10.1
194.04552	36.1
196.06157	8.4
208.41759	4.1
217.38425	3.9
224.05553	7.4
311.30399	3.8
408.16901	4.1
482.31204	100.0
483.31332	6.6
525.38153	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
61.98825	1.0
70.02808	0.5
70.34538	0.9
78.95908	0.6
80.91679	9.1
88.98748	0.7
93.53019	0.5
99.23052	0.5
99.92586	2.2
130.62891	0.5
151.35764	0.6
152.99580	1.8
161.14865	0.6
206.80540	0.5
269.67606	0.6
295.26413	0.6
305.28433	1.1
307.30023	17.9
315.23010	0.7
323.29526	10.0
341.24661	2.1
343.26083	3.1
351.28955	7.7
369.30051	13.4
373.27252	1.5
391.28275	100.0
392.28680	3.6
408.25876	1.3
443.33749	11.5
486.53485	0.5
526.26117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
61.98826	18.5
67.21997	0.8
69.22482	5.0
71.01392	2.5
73.02959	1.3
74.02470	1.2
77.97475	0.9
82.16653	0.9
83.01382	1.4
85.02953	1.3
87.00902	1.0
89.02453	1.3
93.03449	0.9
98.21818	0.9
101.02415	2.0
107.01397	1.8
113.02459	2.2
121.02991	2.5
139.04047	1.2
151.00337	8.1
163.00351	2.3
174.25485	1.0
178.99954	4.2
191.05647	0.9
209.11864	1.6
227.03587	1.9
228.88445	0.8
243.02979	8.9
254.02226	2.1
255.02983	21.4
271.02472	43.8
272.03076	2.0
299.02023	1.1
300.02731	89.5
301.03519	35.7
452.20273	1.9
463.08807	100.0
464.09109	3.8
467.28574	1.2
525.29773	1.3
526.29761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98830	100.0
62.80634	0.1
69.99945	0.4
71.01379	0.3
85.03027	0.1
87.00913	0.2
94.53733	0.1
117.45930	0.1
156.88356	0.2
169.09712	0.2
185.75763	0.1
191.05595	0.2
213.86884	0.2
219.14258	0.1
312.25223	0.1
353.06680	0.6
466.22772	0.3
467.28870	0.2
484.24298	0.2
520.13666	0.1
521.70166	0.2
526.29681	0.4
527.12079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00089	0.3
61.98827	100.0
65.56720	0.3
69.20567	1.7
72.55376	0.2
104.75691	0.2
109.67914	0.2
121.00468	0.2
130.63625	0.3
140.51550	0.2
159.50194	0.3
161.99556	0.2
282.67926	0.3
466.23010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97961	0.2
59.01374	1.3
61.98827	100.0
68.98570	0.2
69.21808	0.9
71.01381	1.1
73.02936	0.3
75.66509	0.2
83.01386	0.2
85.02966	0.3
86.33208	0.2
89.02461	0.6
101.02469	0.5
113.02477	0.5
114.77094	0.2
131.48428	0.2
137.02480	0.3
139.04059	0.2
158.09543	0.2
161.04681	0.2
182.01881	0.2
187.51003	0.2
189.71037	0.2
207.10405	0.2
221.49048	0.2
305.23373	0.3
467.28531	1.2
526.23639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22795	0.1
59.01374	0.7
61.98827	100.0
65.91000	0.1
66.98243	0.1
69.21635	0.7
71.01405	0.2
72.00560	0.1
75.00871	0.2
80.08295	0.1
82.95430	0.3
98.67549	0.1
142.26416	0.1
161.09709	0.2
162.10112	0.2
191.05670	0.3
198.99527	0.2
205.08707	0.2
257.83441	0.2
259.02420	0.1
305.14005	0.4
364.08087	0.3
466.11786	0.3
507.43103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37080	0.1
59.01380	0.7
59.86528	0.2
61.98828	100.0
63.92876	0.2
69.14913	0.7
69.71445	0.2
71.01377	0.2
91.71278	0.2
99.00816	0.2
101.69129	0.2
120.51149	0.2
149.02628	0.2
154.47960	0.1
161.09764	0.2
162.10133	0.3
191.05598	0.3
305.14056	0.5
337.70218	0.2
402.75848	0.2
406.08865	0.2
466.11682	0.2
509.70065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94789	0.3
59.01377	2.4
61.98827	100.0
71.01387	1.4
73.02951	0.6
75.00081	0.3
85.02940	0.5
89.02435	0.4
96.96007	2.7
97.91750	0.3
99.00944	0.3
99.58443	0.3
99.92590	2.1
100.93370	1.5
101.02452	0.9
113.02464	0.9
115.92101	1.6
116.92852	6.8
119.90408	0.3
121.02987	0.6
131.03470	0.4
134.06119	0.5
139.04068	0.6
191.05597	0.6
221.08340	0.4
236.18428	0.3
243.08841	0.4
245.06697	0.4
259.08371	0.4
261.25552	0.3
271.08646	0.4
274.14835	0.3
279.76053	0.3
297.93707	0.3
316.33353	0.3
331.42926	0.3
349.00272	0.5
351.04138	0.4
352.04568	0.5
359.25360	0.3
450.21429	0.8
466.22333	0.5
466.27930	0.5
482.23932	1.8
491.02658	0.4
508.21957	0.6
509.03851	1.3
526.23102	4.5
526.29968	1.3
527.05194	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	526.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03452	7.0
59.01377	100.0
60.01696	1.0
61.98827	25.3
67.01878	4.0
69.03446	1.3
69.55844	0.9
69.88593	3.2
71.01378	7.2
73.02953	1.6
83.01396	1.2
84.77463	0.9
85.02948	2.7
86.02481	3.1
87.00887	2.6
88.98807	1.0
89.02434	4.1
93.03461	2.0
95.05026	0.8
96.96011	9.4
96.99313	1.3
98.02522	0.9
99.00864	1.2
99.92564	2.7
100.93376	2.1
101.02417	5.5
102.02803	1.1
108.55630	0.8
111.00862	3.5
113.02441	6.0
115.92077	1.9
116.92844	10.5
119.03572	1.1
120.99628	1.1
121.02974	1.0
125.02433	6.6
127.04034	1.5
135.04515	2.1
137.02444	0.9
141.09338	1.0
143.03490	2.2
155.03554	1.8
161.04565	1.6
161.05989	1.6
165.05603	1.2
167.03416	1.3
173.04630	1.3
179.05687	1.0
189.09134	1.7
190.09482	1.1
190.53934	1.0
191.05605	3.0
191.07098	1.1
221.08276	2.2
234.08459	1.1
236.12904	2.4
237.07959	1.2
249.07681	1.9
251.09187	3.4
267.08688	4.2
324.19571	1.0
352.04224	0.9
364.11099	1.2
373.05618	1.7
374.69507	1.1
380.17191	1.7
434.18176	3.5
436.19653	2.6
448.19876	7.9
452.19290	7.0
466.20773	69.8
466.26465	2.4
467.21271	2.5
467.28180	1.6
525.28955	3.9
526.16071	1.9
526.29321	11.3
527.04718	3.1
527.30206	2.0
551.70148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41400	37.1
78.95911	52.1
78.99533	33.9
92.92803	81.4
94.92520	70.7
97.98518	40.9
152.99559	100.0
173.41736	37.6
239.20035	43.8
326.38879	42.0
365.70715	40.1
452.81671	43.4
546.10358	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.3
69.66233	2.3
76.56182	0.6
78.95899	16.1
98.21951	0.8
103.01559	0.5
112.86303	0.6
130.93790	0.6
152.99590	2.8
168.04315	2.4
217.39055	0.6
224.06950	6.9
227.20161	100.0
228.20523	2.7
236.77097	0.6
242.07974	2.0
332.12802	0.6
369.10788	0.6
452.27798	72.0
453.28137	2.3
453.33929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08640	2.7
59.01370	3.5
61.98825	4.6
62.84999	3.1
63.29651	2.6
70.46471	3.6
71.01375	16.4
72.86749	2.8
85.02938	3.9
85.54215	2.9
93.91634	2.6
96.96018	8.4
115.00358	7.8
120.01235	6.3
121.02962	100.0
122.54188	2.9
130.78493	2.9
137.02475	3.4
166.32269	2.7
191.05602	17.9
237.04100	16.0
250.98709	3.9
289.07202	3.6
297.61050	3.0
312.70401	2.9
353.02054	3.3
396.22128	25.8
527.10468	4.0
527.24701	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	527.1347
Annotation	Lophirone F
Peak:m/z	Relative Intensity
66.23245	0.6
67.44221	0.7
67.50218	0.6
67.79652	0.6
69.70171	2.2
98.22568	1.1
152.32153	0.8
167.71771	0.7
186.94788	0.8
204.91489	0.6
236.55923	0.7
243.29263	0.7
355.09875	0.9
367.09879	1.6
369.07684	1.7
377.08231	1.5
379.06293	1.2
382.08347	0.8
383.09171	1.8
393.07700	1.8
395.09192	1.2
397.06900	3.5
407.05811	1.8
409.06989	1.3
410.07999	0.9
411.08832	8.9
421.07132	17.0
422.07901	4.8
423.08691	1.0
425.06464	1.1
437.10266	0.9
439.08014	3.6
441.09872	3.4
450.06967	1.4
455.11420	8.9
465.09689	9.7
466.10599	3.3
483.10892	7.4
485.12573	2.1
494.09940	1.5
509.12378	24.0
510.12811	1.5
527.13458	100.0
528.13623	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	527.1706
Annotation	Gnetifolin C
Peak:m/z	Relative Intensity
61.98815	3.0
68.24417	2.0
69.91561	4.7
71.01363	1.9
73.23174	1.7
75.67119	2.1
95.35497	1.8
98.21838	1.9
108.01479	1.9
108.02174	29.6
113.02402	3.7
115.75427	1.8
122.03737	2.6
123.04462	3.6
136.01656	21.7
141.06978	2.8
143.78937	1.9
157.06516	2.6
165.21941	1.9
169.06461	5.5
185.06039	14.5
201.05466	3.0
209.05913	3.3
213.05582	14.9
215.03348	5.1
225.05438	4.4
226.06215	4.6
227.10645	3.9
228.04079	5.3
229.05148	9.1
229.08711	13.5
240.04172	4.0
241.02943	2.9
241.05086	37.1
241.08699	10.1
241.21681	2.8
242.02039	2.6
243.02837	5.4
255.10066	6.2
256.07208	2.6
257.04404	29.4
257.08023	96.8
257.11487	6.1
258.08487	2.6
269.05618	2.9
269.08203	40.2
269.11237	4.1
270.08734	3.3
271.02493	2.8
271.09503	4.1
277.21628	3.4
285.04031	25.3
323.09302	9.1
361.10461	2.6
362.11588	2.8
406.05399	3.7
406.10452	49.9
483.17566	4.7
499.17841	2.9
522.59711	2.2
527.16687	100.0
528.17023	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	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
57.38187	0.6
59.01379	4.7
61.98830	6.6
62.81615	0.6
63.96213	1.1
69.03448	1.4
69.19577	2.5
71.01384	7.6
72.99305	0.8
73.02952	1.6
78.98587	3.8
79.95731	7.6
80.96511	48.5
81.03435	1.1
83.01377	1.0
83.05009	0.6
85.02976	2.7
87.00851	1.7
88.98765	0.7
89.02469	1.3
93.03435	1.7
94.98075	11.8
95.54272	0.6
96.80714	0.5
96.96016	4.4
97.02929	2.6
99.00869	0.7
99.04456	0.7
101.02435	3.5
101.06052	1.7
103.70965	0.7
106.90866	0.6
106.98066	2.4
108.67107	0.5
111.04504	0.6
113.02443	2.7
116.92857	0.7
121.30823	0.6
122.97575	2.6
125.02428	2.9
127.04016	1.1
133.57452	0.6
134.97586	3.5
135.04539	0.6
136.99173	1.3
139.04030	3.2
148.99159	4.6
152.98631	4.8
161.04506	1.1
164.98622	9.6
173.04514	1.1
191.05539	2.1
206.99644	1.8
207.10306	5.7
209.11874	2.9
219.51126	0.7
225.00722	15.1
251.09177	1.1
299.04395	2.3
305.13818	2.6
413.14539	2.1
467.24945	0.8
476.38937	0.6
527.17957	100.0
528.18195	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	527.2072
Annotation	Cinnabarone
Peak:m/z	Relative Intensity
51.36023	0.8
53.19873	1.0
57.12932	0.8
59.01374	1.2
65.07751	0.8
78.95888	4.8
95.01382	1.4
106.04266	1.3
108.66871	0.7
109.02902	2.6
110.03732	1.5
110.98499	1.6
121.02943	1.4
122.03697	2.1
123.00899	1.1
125.02443	1.5
135.04471	1.0
136.05270	2.9
137.02440	35.6
138.03171	3.3
150.03235	3.0
151.04012	1.0
162.31700	0.9
163.04163	1.0
165.01924	46.0
166.02721	4.8
167.01129	1.1
167.03485	1.1
185.02165	2.1
194.58620	1.0
199.07709	1.1
227.10742	10.6
229.08670	1.0
241.04958	1.0
241.08644	1.6
243.06712	1.3
243.10318	1.6
255.06664	1.4
255.10193	2.9
256.07330	1.1
257.08203	1.1
257.11768	3.8
267.06625	1.3
269.08087	1.4
270.05276	1.9
271.06079	6.3
271.09735	2.9
277.21698	39.1
285.07669	4.3
286.08395	4.5
287.09232	16.5
287.12491	1.8
335.12833	1.0
391.11771	2.2
406.10092	1.2
445.23584	13.6
527.20679	100.0
528.21436	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	527.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90564	0.5
54.29084	0.5
55.01888	0.9
55.11398	0.5
69.38004	1.2
69.38386	1.1
69.99339	0.5
80.96531	1.0
93.03461	0.8
95.05038	0.9
106.04251	1.2
121.02985	0.8
122.03719	1.4
123.04507	3.2
135.04533	1.5
136.05301	7.4
143.05002	1.2
150.03253	1.2
151.04021	4.9
151.07666	1.8
175.04015	0.6
181.06578	0.7
181.10202	4.4
182.07347	1.3
183.08118	1.8
197.06091	2.0
199.04079	0.6
199.07678	1.5
201.05579	0.7
209.06075	4.1
210.06815	3.1
211.07625	1.6
213.09126	0.9
215.07054	0.8
223.07674	0.6
224.04811	0.6
225.05589	12.8
225.09044	4.8
226.06348	17.3
227.07112	3.1
228.04344	0.7
239.07037	1.0
240.07892	2.2
241.04971	1.3
241.08685	22.6
243.06761	0.6
254.05879	2.9
255.06619	4.2
255.10228	1.3
257.11813	35.1
269.08173	100.0
270.05591	0.8
270.08743	4.7
271.06116	6.1
271.09363	0.9
273.11316	1.0
274.02942	1.1
301.10767	2.5
302.11545	1.0
357.12137	0.6
375.12280	0.7
392.12402	4.1
393.13477	0.7
499.21207	1.5
512.18005	0.7
527.20660	68.7
528.20795	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	527.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	5.1
66.45718	0.7
69.39066	4.0
88.37973	0.7
92.92877	0.8
106.04168	0.9
121.02966	6.0
123.04478	0.8
141.01741	0.8
184.80545	0.7
209.06090	2.7
210.06807	1.1
211.07610	2.6
224.04688	1.1
225.05470	1.5
237.05583	1.6
238.06270	7.2
239.07111	5.4
240.07829	1.4
251.07185	1.7
252.07813	1.2
253.08690	1.8
254.09392	2.0
258.09268	0.7
266.06131	0.9
267.10324	1.2
273.11389	1.2
275.10745	1.4
279.06613	1.1
280.07364	2.6
281.08362	0.9
291.10278	0.8
295.09610	1.5
317.11588	1.2
329.07886	0.8
343.09778	1.4
344.10403	1.4
346.08347	2.4
359.09113	1.9
360.10010	1.4
361.10751	3.3
376.12949	1.2
453.17105	1.0
485.19348	2.1
495.17908	1.2
497.16260	1.6
509.19299	1.2
511.17569	4.2
512.18365	22.3
513.18713	1.3
527.20728	100.0
528.21161	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	527.207
Annotation	Cinnabarone
Peak:m/z	Relative Intensity
61.98822	0.4
69.03501	2.4
93.03448	1.9
94.03790	0.5
98.21875	0.9
117.94399	0.4
121.02960	7.8
137.02454	0.9
138.02747	0.8
144.27242	0.4
151.03981	0.5
153.13277	0.5
180.05804	0.4
192.95984	0.6
196.05093	0.4
196.08932	0.6
197.06082	4.5
198.06856	0.7
211.07622	6.8
213.05675	0.4
214.06348	0.7
224.04808	1.2
225.05554	9.0
226.06296	1.0
230.05685	0.5
237.05441	0.6
238.06358	0.6
239.04666	0.8
239.07137	15.1
240.07907	21.0
241.05031	1.0
241.08337	0.6
242.05777	1.6
254.09476	17.0
255.06599	0.8
255.10236	8.2
257.08246	4.9
258.05383	2.1
258.08871	1.1
261.09277	0.6
266.05722	1.4
272.10483	0.7
273.07602	0.6
275.10699	0.7
277.08658	1.1
280.07495	1.0
281.08176	0.9
287.12973	3.7
289.12430	0.7
291.10104	0.7
294.54660	0.4
306.82211	0.5
311.09201	1.0
314.09531	0.5
315.10400	1.2
317.11874	1.0
320.10464	1.7
333.11398	1.7
342.09012	0.9
343.09836	0.8
344.10385	1.4
346.08221	0.5
349.16861	1.0
357.11377	1.0
358.12021	0.8
360.09979	0.6
361.10800	1.6
375.12463	2.1
376.13022	1.1
385.14508	1.6
453.75900	0.4
467.13889	0.6
468.19574	0.8
471.18234	1.1
479.14639	0.8
493.16418	1.5
494.17395	2.0
495.17902	1.3
497.16052	0.8
509.19479	1.7
512.18390	10.4
527.20758	100.0
528.21204	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	527.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93458	0.6
55.00008	0.6
55.69369	0.6
61.98836	0.7
69.50605	2.1
71.70565	0.5
82.22482	0.7
84.95229	0.5
106.76353	0.5
108.02171	0.8
116.92879	0.7
118.34706	0.6
121.02953	100.0
122.03289	1.4
135.04500	0.6
143.60271	0.6
162.03268	0.7
177.05550	2.3
227.10829	2.5
236.95921	0.6
237.09135	2.9
239.10730	1.1
255.06636	2.2
269.08099	1.1
269.11765	0.6
283.33521	0.6
285.05984	0.6
345.11411	1.1
347.12817	4.8
361.14447	3.5
390.14719	2.1
404.49707	0.6
405.17084	15.3
441.21823	0.7
527.20880	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	527.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27636	0.9
61.55395	0.7
61.98809	1.5
63.93399	0.7
70.21611	0.7
71.63190	0.7
83.27260	0.8
92.05271	0.8
108.02154	6.1
109.02957	5.2
116.19597	0.7
121.02969	4.4
123.04489	1.3
135.04576	0.9
136.01672	6.2
136.05273	1.3
137.02428	13.8
151.04022	1.2
152.76767	0.8
164.04820	0.9
185.41289	0.8
195.08154	1.3
196.05124	1.0
196.08891	4.1
197.06064	2.8
199.07683	1.0
211.07613	8.2
213.05569	3.9
224.08409	19.3
225.05617	2.3
226.06366	4.4
227.07127	1.5
229.05057	1.0
239.07118	11.2
239.10751	21.4
240.07919	15.4
241.05051	2.7
241.08681	3.6
242.05812	2.6
243.06503	2.1
253.08710	0.8
254.09448	7.1
255.10258	4.6
257.04532	1.0
257.08154	4.6
258.05301	1.2
259.09528	1.9
269.11774	3.4
272.06790	1.8
273.07721	1.5
285.11298	2.9
287.09238	17.8
288.09995	2.1
333.11292	1.0
342.36237	0.8
375.12311	2.3
376.13293	1.2
455.53329	1.0
509.19836	3.5
512.18481	3.3
527.20691	100.0
528.21301	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	527.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.6
59.70760	2.0
60.99294	2.9
61.98827	36.0
71.01374	6.1
73.02924	4.8
85.02924	2.7
87.00847	2.6
88.98806	10.0
89.02449	4.9
93.03461	4.9
94.98181	1.7
96.96011	49.7
99.04497	3.5
101.02425	4.9
107.05000	5.5
109.15457	1.9
113.02440	3.1
119.05036	5.7
119.74497	1.7
121.06598	10.5
124.83451	1.7
125.06066	5.7
135.04538	2.0
135.08130	2.7
137.06081	2.7
139.07631	3.5
143.03448	1.9
149.06107	2.4
149.19623	1.9
153.09128	2.0
161.02400	1.7
161.04588	2.6
163.07687	9.5
172.98244	6.4
173.04597	4.5
177.01395	2.0
177.09190	2.0
181.08727	2.7
187.11284	3.2
188.00594	5.5
191.05565	3.8
197.09619	2.3
203.02913	6.5
205.08740	2.2
207.90121	1.8
209.09697	7.1
213.09204	6.5
215.10780	3.7
227.10712	9.7
231.10237	7.2
233.11763	2.9
236.08301	2.0
241.12343	4.7
251.10674	6.3
269.11850	13.2
272.10345	2.6
287.12845	9.2
305.13922	100.0
306.14359	1.8
437.17252	7.1
467.19266	15.0
467.28513	5.7
527.23254	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70174	1.4
55.60427	1.5
58.52952	1.2
59.01377	7.2
61.98832	38.6
69.19817	8.0
71.01373	2.6
73.02945	1.4
85.02973	1.4
87.00852	1.6
88.98803	3.8
93.03446	4.1
99.04550	2.1
101.02419	2.6
106.04277	2.9
107.05024	5.3
108.02184	2.9
111.04462	1.3
116.92857	4.8
119.05024	2.5
120.57176	1.3
121.06575	9.2
123.04545	1.9
125.06075	5.0
127.07634	1.5
135.08138	2.2
137.06090	2.2
139.07648	3.4
151.44264	1.2
152.01115	5.6
153.09183	1.8
161.09723	5.0
162.03185	3.0
163.07707	8.3
167.03554	8.7
173.04552	2.7
177.05586	3.5
177.09174	2.5
187.11264	5.7
187.66165	1.4
191.05637	3.0
191.50493	1.8
197.09741	2.5
203.57449	1.4
205.08723	11.0
209.09674	4.6
213.09256	5.9
215.10823	6.3
227.10683	8.2
231.10207	5.6
233.11790	2.7
241.12213	2.0
251.10793	5.3
269.11865	12.1
287.12894	4.5
305.13931	100.0
306.14392	2.4
418.39825	1.4
467.19208	5.6
467.28497	2.0
527.17572	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2279
Annotation	Xylogranatin J
Peak:m/z	Relative Intensity
61.98817	9.9
121.02972	10.5
123.00877	11.6
124.01669	6.2
138.03207	15.6
139.04037	4.7
149.06009	5.8
150.06825	6.2
153.05598	4.3
161.06157	4.1
162.06873	13.8
163.07710	3.2
177.01930	15.2
192.04312	26.9
195.06471	2.5
207.06619	78.6
239.07138	7.4
240.07991	5.6
255.06563	4.3
267.06561	7.9
268.07376	10.5
269.08115	7.0
271.06015	3.2
272.06796	3.3
281.08047	14.3
282.08762	3.5
283.06119	3.7
284.06866	7.6
285.07605	7.1
286.08340	6.9
286.12042	8.1
298.08557	3.9
299.09171	15.2
299.12573	4.8
301.10870	6.8
301.14365	44.0
311.12888	23.6
313.14398	27.0
435.14117	5.1
437.15695	7.3
465.19174	77.0
467.20761	100.0
479.20581	5.4
509.21799	71.9
527.20996	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	527.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46780	0.6
52.76589	0.6
53.10601	0.6
56.48065	0.7
59.01363	1.5
61.98831	0.9
69.65428	2.2
78.95900	1.4
79.92099	0.6
92.92738	0.6
95.05083	0.8
96.96022	1.3
121.02921	1.5
121.20096	0.7
135.04477	1.7
136.05296	7.1
148.05302	33.6
149.05748	0.8
151.07626	1.4
163.07648	2.7
181.10252	5.6
183.08092	0.7
215.10724	1.2
225.09189	7.7
227.10808	2.1
239.10774	0.9
241.08368	1.2
241.21663	1.4
255.06659	0.8
255.10217	1.6
256.10889	1.9
257.11823	44.7
258.12003	0.7
269.11819	100.0
270.12213	5.4
277.21701	6.8
296.10358	0.8
363.21216	0.9
410.24023	0.7
445.23599	2.6
463.32315	0.7
483.36633	0.8
494.20874	0.9
512.21802	1.2
527.24817	12.6
528.24695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93679	0.3
59.01377	100.0
60.01702	0.5
61.98823	0.8
69.03455	0.4
70.21668	0.3
71.01378	3.9
73.02948	0.9
81.03471	0.4
83.01407	0.6
84.95692	0.3
85.02969	1.0
87.00861	0.8
89.02446	0.7
93.03463	1.8
95.05062	0.4
101.02403	2.4
111.04480	0.5
113.02444	2.2
120.05817	0.4
123.08247	0.3
127.78956	0.4
133.58194	0.3
135.04575	0.6
137.02464	0.5
151.07643	1.1
159.11922	0.5
161.04602	1.1
161.09779	0.5
161.13368	4.5
171.10326	1.5
173.04587	1.6
176.01176	0.5
178.02785	0.5
187.11273	20.0
188.11653	0.7
189.09264	0.8
191.05559	1.9
201.11299	0.3
205.12328	5.8
206.58868	0.4
209.11780	2.1
225.11426	0.7
235.11845	5.4
251.16544	0.3
283.13419	0.9
423.23859	4.4
425.73904	0.4
465.32343	0.5
467.22815	1.9
483.33173	1.4
485.23993	0.8
527.24884	3.3
527.32324	1.4
527.73248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42537	1.9
57.03458	2.6
59.01376	16.0
65.98816	2.2
69.88742	5.1
71.01377	19.2
72.99297	4.5
75.00868	20.5
85.02951	18.5
87.00870	6.0
89.02445	3.2
95.01379	4.4
98.22596	3.5
99.00868	10.1
99.91199	1.8
113.02456	26.8
117.01919	3.7
122.61508	1.9
130.27457	1.7
134.16998	2.0
135.54512	2.2
175.02496	3.6
205.07199	2.4
249.06160	8.4
267.07129	4.7
277.21698	47.1
416.46735	2.1
509.27255	2.9
527.28607	100.0
533.48682	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.3
65.99844	6.9
67.59737	0.4
68.01411	0.6
69.00929	0.9
75.11497	0.4
80.35261	0.4
84.13190	0.4
93.03443	0.6
93.21855	0.4
96.89886	0.5
102.03498	11.0
115.08772	1.1
116.05071	10.5
117.54618	0.5
118.06606	0.6
119.04934	0.6
121.02961	1.0
129.10353	3.6
130.08727	5.3
131.03770	1.1
137.02472	0.9
144.04553	75.7
145.04916	0.9
146.02486	0.6
154.08777	0.6
155.03787	1.2
156.06680	1.9
160.04054	2.0
170.02470	3.7
171.05624	2.2
171.11412	1.9
172.06392	1.4
173.40659	0.4
182.04933	0.6
183.15010	2.5
186.04385	2.2
187.05070	0.9
194.11938	0.6
197.77927	0.5
199.05139	1.1
200.05931	0.5
209.16647	0.8
210.16069	1.2
215.11879	3.0
225.16183	0.7
228.17169	1.9
229.13467	6.9
239.08244	0.5
243.11604	0.5
252.17213	0.9
253.08759	0.8
257.12955	54.9
258.13214	1.3
268.11200	1.2
270.18143	0.7
301.11819	1.2
328.20316	1.2
377.53214	0.4
426.00037	0.5
441.28531	1.5
455.30405	0.6
464.86691	0.5
483.29785	9.6
484.29843	0.7
527.28729	100.0
528.29010	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	527.2991
Annotation	Milbemectin
Peak:m/z	Relative Intensity
61.98830	77.5
71.41537	30.7
114.16484	27.4
156.50436	28.8
168.10875	31.6
190.86713	33.6
194.69894	26.6
255.23366	81.1
527.30090	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	527.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	50.4
63.57081	49.5
65.19215	57.9
72.48825	40.0
84.90199	49.9
113.53141	45.8
220.57841	52.9
297.22217	51.5
411.44690	49.8
527.29950	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	528.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79972	0.3
59.01374	1.3
59.70785	0.4
60.46415	0.3
61.98827	6.2
69.70987	0.7
71.01387	1.4
71.67552	0.4
85.02917	0.4
92.27909	0.3
98.21926	0.7
108.02142	0.4
117.03490	0.6
131.03766	2.4
131.30681	0.3
132.02164	3.7
133.02907	1.1
133.20979	0.4
134.03738	8.2
135.11903	0.3
144.04553	8.9
144.05693	0.4
146.06117	100.0
147.01530	0.4
147.06447	1.3
149.06052	1.3
160.01656	17.4
161.02429	4.0
161.04565	0.4
175.04002	24.3
178.02774	0.4
179.03514	0.4
188.07243	0.7
190.05087	15.4
191.05521	0.6
193.05048	7.5
204.06668	1.5
227.30435	0.3
278.07928	0.4
300.35583	0.3
315.02414	0.3
322.10916	0.8
323.07797	1.1
334.09348	0.8
337.09268	31.7
338.09799	0.6
352.10355	2.3
380.08600	0.4
434.09225	0.3
478.92133	0.4
484.16211	6.1
493.20438	0.4
496.12546	0.4
528.15125	9.6
528.22156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30938	1.9
50.49607	2.7
51.25342	1.9
59.01377	63.0
61.98828	27.7
62.42116	2.0
64.98676	2.2
69.03446	5.5
70.07453	4.5
71.01379	54.9
73.02920	6.7
75.00895	2.1
80.28264	2.1
83.01400	2.6
85.02936	5.0
89.02440	65.7
95.47418	2.1
97.02957	10.8
99.00881	12.3
101.02441	9.6
106.04258	7.4
113.02462	7.1
115.03969	6.1
118.25084	2.3
125.02436	32.7
127.03914	2.8
130.04207	3.5
131.03487	11.4
143.03502	5.0
145.10246	3.4
149.04553	17.9
157.06546	3.0
161.04501	2.5
161.09723	15.0
172.85197	2.4
191.05650	10.1
191.10776	76.9
205.08705	28.6
233.06638	31.3
233.88832	2.3
293.08762	100.0
330.77167	2.1
485.20148	7.4
537.45581	2.7
537.58850	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	529.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65047	1.3
61.55910	1.1
69.03467	8.0
69.56583	4.7
69.56932	1.2
74.02499	1.2
76.49361	1.3
85.02958	1.5
85.06596	3.1
87.00870	100.0
87.04521	1.9
88.01230	1.4
92.00667	1.2
95.26499	1.2
113.02456	6.2
113.06097	4.1
115.03978	9.2
157.01402	6.1
159.03047	1.6
165.22119	1.4
173.04640	1.6
175.02469	46.3
175.06085	27.7
191.05673	9.4
238.65691	1.3
242.14909	1.2
266.48132	1.4
301.45395	1.4
387.73328	1.4
405.08398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62453	0.3
59.01386	0.6
61.01723	0.3
61.28430	0.3
61.98829	100.0
69.93243	0.7
71.01388	0.8
80.70213	0.3
84.24816	0.3
87.00857	0.3
88.98814	0.6
93.03449	0.4
96.96018	0.5
101.02428	0.7
113.02456	1.0
116.92830	1.0
130.08716	0.3
131.03717	0.4
137.02437	0.9
139.04019	0.6
144.04565	1.7
146.06116	58.8
147.06447	0.8
149.02338	0.3
159.02942	0.4
161.02441	0.3
161.04552	0.9
190.05101	12.8
191.05661	0.6
205.08774	0.4
308.11377	2.4
342.98990	0.3
352.10358	37.0
353.10876	0.7
369.97314	0.3
383.89063	0.4
418.70703	0.3
446.34409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50073	0.4
57.21056	0.4
59.01362	0.8
61.75742	0.4
61.98829	100.0
69.14867	1.9
69.15274	0.7
71.01397	0.7
101.02438	0.5
113.02449	0.7
123.43704	0.5
126.17435	0.4
138.17328	0.5
144.04549	1.6
146.06116	64.1
147.06462	1.1
161.04552	0.7
165.76085	0.5
190.05101	14.8
191.05438	0.6
308.11478	1.4
352.10358	36.8
353.10583	0.9
449.65598	0.5
508.74081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1563
Annotation	Pikuroside
Peak:m/z	Relative Intensity
50.14523	0.6
57.03458	0.8
58.65418	0.6
59.01374	4.3
60.99302	3.8
66.11698	0.5
67.01884	9.3
69.03453	1.7
71.01380	4.6
73.02937	0.8
79.63307	0.6
81.03448	1.8
83.05007	1.0
85.02945	5.2
87.00874	12.2
87.22808	0.7
93.03455	65.2
96.02123	0.7
96.96022	0.9
99.00880	1.1
99.04503	1.0
101.02399	1.1
109.02957	1.3
111.04528	8.6
113.02439	1.2
114.88457	0.6
115.03975	0.6
116.92900	1.0
121.02948	0.8
127.04028	1.7
129.01932	1.5
134.03735	17.9
137.02431	1.4
139.04013	1.0
141.01723	0.8
149.06075	5.2
155.03476	1.5
161.02402	0.8
164.62195	0.6
173.04543	19.6
174.04875	0.6
175.03966	1.4
178.02695	8.9
191.05602	100.0
192.06038	1.3
193.05038	24.6
194.05386	0.6
197.04559	1.9
227.03642	0.6
253.07271	1.4
271.47696	0.7
286.42664	0.6
329.20203	0.6
335.99457	0.6
367.10300	25.0
368.10724	0.8
370.61270	0.8
375.60870	0.6
409.11472	3.2
529.15607	88.7
530.16028	4.2
553.57800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
59.67373	0.5
60.03788	0.4
69.03439	0.5
70.45512	1.1
85.02946	0.6
85.06588	15.1
87.00867	4.8
87.04540	0.6
93.03479	0.7
113.06094	12.9
115.04011	33.4
116.35885	0.5
126.03223	0.5
128.03465	0.8
131.07161	2.8
157.05121	3.1
175.02563	1.9
175.06113	100.0
176.06479	1.2
189.96245	0.5
191.05635	5.6
199.24687	0.5
250.49162	0.5
387.03815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
69.48869	0.3
70.64011	0.5
70.64336	0.4
83.05028	0.7
84.30624	0.3
87.00884	0.5
93.03461	2.5
111.04500	2.6
121.02931	0.5
130.94232	0.4
134.03735	53.7
135.04044	0.5
135.30225	0.4
137.02473	1.8
149.06078	17.3
150.06429	0.4
155.03525	2.4
173.04541	6.4
178.02702	17.4
191.05571	0.5
193.05045	100.0
194.05385	2.4
228.05777	0.4
355.10342	10.9
356.10730	0.5
529.15613	13.7
530.15680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01381	2.4
60.99300	0.5
67.01895	3.7
69.03448	1.3
70.44125	0.6
71.01379	3.2
81.03456	0.6
83.05013	0.6
85.02943	0.7
87.00864	1.0
89.02443	0.4
93.03458	24.1
94.07855	0.4
96.96008	0.7
98.22590	0.4
99.73963	0.3
109.02916	0.8
111.00882	0.7
111.04517	4.1
113.02445	0.5
134.03740	13.0
137.02432	4.2
149.06081	4.5
155.03479	3.8
173.04549	100.0
174.04886	1.1
175.02460	0.4
178.02716	3.9
191.05623	1.7
193.05045	17.9
227.90524	0.4
335.09796	0.5
355.10419	0.9
411.64786	0.4
475.50342	0.4
500.51797	0.4
529.15637	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.156
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73072	0.5
71.01361	0.4
83.05028	0.6
87.00864	0.4
93.03449	2.4
111.04520	2.3
129.02026	0.5
133.02924	0.6
134.03737	46.9
135.04091	0.9
137.02434	1.3
139.04012	0.3
142.05373	0.3
149.06081	17.2
150.06447	0.4
155.03503	2.7
173.04559	5.8
178.02707	16.0
179.03094	0.4
191.05675	0.5
193.05051	100.0
194.05388	2.1
207.84093	0.3
235.06090	0.7
260.68268	0.3
269.69547	0.3
355.10333	10.4
356.10486	0.3
377.10199	0.4
393.97421	0.4
529.15625	11.4
530.15741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65335	0.3
58.32121	0.3
63.72828	0.3
69.53925	1.2
71.01369	0.4
81.03457	0.3
83.05013	0.8
85.02923	0.6
87.00864	0.6
93.03471	2.3
102.93262	0.3
111.04530	2.8
116.12027	0.3
129.01855	0.3
130.60768	0.3
133.02965	0.6
134.03740	57.3
135.04041	0.6
136.12099	0.4
137.02444	2.4
139.04004	0.5
149.06079	20.1
150.06438	0.6
155.03494	2.8
166.74243	0.3
168.97653	0.3
173.04538	6.2
178.02713	18.8
191.05563	0.6
193.05054	100.0
194.05348	1.8
202.11269	0.3
208.15936	0.4
219.62228	0.3
235.06050	0.6
355.10312	10.8
356.10526	0.4
367.09711	0.4
529.15631	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	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56987	0.5
55.01863	0.7
57.03444	0.9
59.01118	0.9
59.01381	11.5
61.98835	2.8
67.05532	0.8
68.99818	0.9
69.03461	1.6
69.12129	3.7
71.01376	6.0
71.05010	0.8
73.02950	2.1
81.03463	0.9
85.02952	3.2
87.00877	1.1
87.04532	0.7
89.02436	4.8
93.03460	1.5
95.05020	4.7
96.96021	1.0
97.02937	0.9
101.02441	5.9
108.02171	0.6
108.86660	0.6
110.42722	0.6
111.04501	2.4
113.02440	8.6
113.06088	16.5
115.04008	15.9
116.92862	1.2
119.03490	1.5
129.05563	5.4
131.03473	0.7
135.04509	0.6
139.04008	100.0
140.04375	0.8
144.27087	0.6
152.01163	1.3
157.05061	7.4
159.02982	17.8
161.04544	2.8
166.27495	0.7
167.03462	2.8
171.50731	0.6
173.04507	1.3
179.05580	1.8
191.05579	3.4
193.74680	0.6
201.04044	43.5
203.67343	0.6
205.08632	0.7
318.73080	0.6
368.89880	0.6
415.14966	1.4
415.23251	8.5
467.15710	1.6
485.16855	1.4
529.19031	0.8
529.26990	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	529.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86023	5.0
59.01371	31.5
65.44875	5.3
69.09556	35.4
71.01383	34.2
85.02968	12.5
87.00871	6.0
87.04501	30.9
89.02446	28.4
93.03452	11.7
96.95993	8.3
101.02440	17.9
113.02442	22.9
119.03506	6.8
131.03493	50.4
134.03729	7.2
134.12651	5.8
143.03549	5.8
161.04561	14.7
173.04588	8.3
179.05638	9.3
186.99278	14.5
191.05579	15.4
193.05038	19.5
229.00267	7.8
261.26550	6.6
283.10321	100.0
367.03409	8.3
397.13284	6.4
402.75815	6.2
529.16449	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1866
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
59.01378	0.9
61.98817	4.2
69.39994	0.9
69.40282	3.8
80.10219	0.7
90.89921	0.8
93.03455	1.5
96.96007	1.8
98.21819	0.9
106.04234	0.9
111.71616	0.8
119.05060	1.2
131.05070	1.0
137.86501	0.7
138.77679	0.9
159.04518	1.8
159.99260	0.7
168.57692	0.7
174.03082	0.9
175.03996	0.9
184.05342	1.5
185.06027	2.5
187.03960	3.3
188.04813	4.3
189.01947	0.9
189.05513	1.9
200.04744	1.3
201.05528	4.3
202.02719	1.1
203.03540	1.6
211.04111	1.1
212.04773	5.4
213.05580	6.2
215.03531	1.9
216.04250	1.7
217.05118	1.5
225.05486	1.1
228.04276	1.2
229.05052	1.4
239.03481	4.6
240.04268	2.5
241.05022	1.8
242.02274	1.9
243.02974	1.1
256.03683	6.2
257.04474	4.3
275.07071	0.8
277.08719	4.2
295.09775	4.8
301.08551	1.8
307.09778	2.4
317.08121	2.4
318.08594	0.9
319.09732	13.7
338.11575	1.2
339.12344	2.4
345.07437	5.0
347.09235	3.3
351.49121	0.8
363.08646	2.9
365.10144	1.4
378.11127	3.4
379.11716	1.0
390.11133	1.9
391.11694	2.3
393.09662	1.2
407.11282	5.5
445.16431	2.4
458.17154	1.2
473.15750	1.6
497.15988	3.1
511.17865	1.3
514.16327	1.5
529.18658	100.0
530.18945	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.3
61.98827	3.1
65.42459	1.0
71.73751	1.0
76.03490	1.4
82.33184	1.0
87.00905	1.2
93.03455	17.6
93.90706	1.2
119.05032	1.9
127.33321	1.1
133.02977	3.0
140.67386	1.1
151.88683	1.2
152.01537	1.1
173.04561	3.0
183.04552	1.8
184.05327	2.3
187.04068	4.3
188.04805	1.8
191.05663	1.2
196.05247	1.6
199.03972	2.4
200.04796	2.8
211.04019	10.5
212.04807	12.2
213.05565	1.5
224.04800	3.4
225.05536	2.0
227.03505	2.1
234.27455	1.1
239.03517	10.2
240.04285	79.6
241.04959	3.3
243.03000	2.4
252.04224	13.8
253.05032	7.3
289.08862	1.7
300.07761	1.4
303.06552	1.3
317.08228	2.2
327.06619	1.5
331.06073	1.9
339.08997	1.5
344.07059	1.4
345.07593	5.4
346.08286	4.2
347.08954	2.7
353.10291	1.6
354.11200	1.2
355.11697	1.6
359.09195	1.4
360.06335	1.4
361.07263	2.4
362.89737	1.3
363.46381	1.2
375.08649	1.8
376.09402	3.8
377.10260	2.0
378.11295	1.2
379.11829	2.3
390.10916	5.1
391.11856	68.8
392.12225	2.7
403.11856	15.0
404.12683	2.2
407.11304	1.4
409.12762	3.8
423.14377	1.3
453.17059	1.8
469.16818	1.4
479.14838	1.6
497.16061	100.0
498.16275	5.4
499.18060	1.4
501.19205	2.6
529.18573	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71310	0.1
59.01383	1.0
61.98830	0.3
62.80976	0.1
69.30242	0.2
69.30582	0.7
71.01379	0.4
75.00877	1.4
75.90421	0.1
85.02971	0.3
89.02443	0.4
91.38288	0.2
93.03490	0.4
97.08681	0.1
97.19846	0.2
101.02412	0.4
106.04240	26.6
107.04548	0.2
113.02434	0.3
115.91848	0.2
121.00982	0.1
125.02383	0.2
138.03233	1.5
146.07347	0.4
150.03218	3.1
159.08154	0.2
161.09714	46.1
162.08899	0.1
162.10045	1.0
179.05659	0.2
182.02196	0.9
190.06848	0.2
191.05537	0.3
205.08682	100.0
206.09048	1.9
217.00299	0.2
323.09998	0.3
529.19135	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	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
60.15685	0.2
69.05801	0.8
69.06207	0.6
71.01395	0.5
75.00881	0.9
85.03020	0.2
89.02431	0.5
93.03461	0.3
101.02463	0.4
106.04242	26.1
125.22073	0.2
138.03232	1.3
146.07382	0.4
147.09717	0.2
150.03215	2.8
161.09715	44.5
162.10063	0.7
173.04544	0.2
182.02219	0.6
188.47052	0.2
191.05647	0.2
205.08682	100.0
206.09018	2.0
215.73416	0.2
323.09933	0.5
445.94397	0.2
529.19275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31385	0.5
92.27654	0.5
93.03457	7.9
99.25488	0.6
106.04242	13.9
108.02157	1.5
113.41789	0.5
121.02955	78.7
122.03748	1.2
136.01683	1.6
136.05299	2.6
137.02431	1.0
137.06096	1.3
138.03232	1.5
151.03999	3.0
151.07646	2.8
183.08203	0.6
210.06947	1.5
213.05551	1.9
225.05617	1.6
239.07140	0.9
241.05098	2.6
242.05836	1.5
243.06619	1.4
255.10268	2.1
256.07382	2.1
257.08270	4.2
257.11826	35.5
258.08997	6.6
258.11844	1.0
271.09726	1.5
272.10519	22.0
273.11273	4.8
287.09210	0.9
353.33206	0.6
378.10794	0.8
393.13443	4.1
497.20203	0.7
514.19873	11.0
515.19830	0.9
529.22308	100.0
530.22620	7.3
546.38000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03451	0.7
59.01377	100.0
60.01696	0.3
61.98826	0.7
69.03447	0.9
71.01377	7.7
72.99300	0.2
73.02938	2.6
75.00868	0.3
79.05547	0.3
81.03470	0.4
82.95419	0.5
83.01381	1.1
83.05032	0.4
85.02947	3.6
86.19254	0.2
87.00888	0.9
89.02446	3.6
93.03442	0.6
95.01399	0.6
95.05039	0.7
99.00873	0.6
101.02443	6.7
106.04230	0.3
107.05038	0.7
111.00887	0.2
111.04539	0.6
113.02442	6.3
117.05549	0.3
119.03503	1.3
120.05833	0.6
125.02448	0.4
135.04494	0.3
136.05237	0.3
139.04027	0.8
143.03505	0.4
149.04622	0.4
151.07632	0.6
157.06557	0.3
159.02956	0.9
159.08041	0.3
159.11804	1.0
161.04564	4.3
161.09758	1.2
161.13354	10.3
163.11121	0.2
169.10225	0.3
171.08261	0.3
172.09010	0.3
173.04572	0.3
179.05560	0.6
182.82736	0.2
185.09639	0.4
187.11276	26.9
188.11620	0.8
189.09213	1.3
191.05571	0.7
201.11308	0.3
205.08656	0.6
205.12318	15.0
206.12712	0.2
209.11819	0.3
219.08818	0.2
223.13383	0.5
231.10196	0.6
237.09775	14.6
249.11235	0.9
267.12329	0.5
279.10809	2.0
287.79633	0.2
309.13559	0.3
363.20108	0.3
369.15442	0.6
397.21796	0.2
415.23483	2.7
425.16156	0.4
425.21832	8.5
426.21744	0.2
443.13434	0.2
451.19684	0.3
467.33768	0.4
469.20749	3.5
474.28683	0.2
485.34467	0.7
487.21658	0.6
520.21405	0.2
529.22748	11.8
530.23187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32318	1.0
55.01867	5.9
57.03448	7.4
59.01378	100.0
61.98830	8.3
68.79440	1.3
69.03457	3.0
71.01381	67.9
71.05025	1.3
71.75997	1.0
72.99313	3.0
73.02948	21.7
75.00868	14.3
79.26987	1.1
81.03439	2.7
83.01388	13.5
85.02950	72.8
87.00876	4.3
87.04528	3.9
89.02442	19.0
93.03429	2.0
95.01399	4.7
97.02954	2.3
99.00879	9.2
100.24699	0.9
101.02443	62.5
113.02452	30.3
115.04009	4.5
119.03471	6.2
121.02956	9.1
124.01656	16.0
125.02448	16.8
131.03558	1.5
137.02391	1.2
143.03496	21.0
145.06291	1.1
151.48671	1.0
159.03014	8.4
161.02542	1.6
161.04558	39.4
161.09703	11.9
163.11295	16.6
173.04543	1.9
179.05640	3.0
190.95927	1.2
191.05597	2.5
207.10228	4.2
221.11832	11.7
235.08195	2.8
307.15521	2.2
325.16602	17.3
355.15503	3.1
367.17575	6.9
391.17880	1.7
469.20590	10.0
487.21796	41.3
488.22046	2.3
529.22375	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	529.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84943	0.3
55.01875	0.6
57.03439	0.9
59.01377	100.0
60.01691	0.7
60.99306	0.7
61.98821	1.6
65.66105	0.4
69.03457	1.4
71.01379	10.7
73.02944	2.9
81.03474	0.7
83.01393	1.1
83.05038	0.5
85.02949	4.7
87.00875	1.3
88.98801	2.7
89.02432	5.3
93.03463	1.2
95.01424	0.7
95.05036	0.6
97.06598	0.5
98.22623	0.9
99.00899	1.2
101.02444	7.7
107.05074	0.6
107.10599	0.4
109.06621	0.5
110.17621	0.4
111.04527	0.5
113.02448	9.6
119.03517	2.1
125.02477	0.7
131.03542	0.6
135.04494	0.5
136.05304	0.9
137.02461	0.4
139.04013	0.8
143.03511	1.1
149.04631	0.5
150.07007	0.4
151.07655	3.2
159.03018	0.9
161.04549	6.2
161.05788	0.4
161.09776	0.7
161.13351	9.7
161.14568	0.7
162.13828	0.4
166.69742	0.4
169.08609	0.4
170.37782	0.4
173.04555	1.5
179.05595	1.9
187.11279	21.5
189.09261	1.3
191.05565	5.0
205.12325	14.0
209.11938	0.7
231.10248	0.5
237.09779	13.9
249.11346	0.6
249.33426	0.4
283.13528	0.9
298.66861	0.4
301.14615	0.4
356.35907	0.5
357.05246	0.4
401.98550	0.4
415.23450	5.3
425.21820	6.9
425.27158	0.4
467.34055	2.1
469.20670	3.4
485.34912	1.4
487.22131	1.1
507.21866	1.6
520.22601	1.5
529.22687	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01371	17.7
61.98822	2.7
63.59285	2.8
64.16393	2.2
70.92935	3.1
71.01376	17.0
72.99298	5.1
75.00867	15.4
78.95907	7.4
85.02935	16.0
87.00864	4.1
89.02458	4.8
95.01362	3.8
96.95975	3.1
99.00873	10.3
108.93466	2.6
113.02431	22.5
117.01925	2.7
128.30336	2.3
142.58347	2.6
152.99586	8.6
168.02235	2.4
175.02505	5.2
199.81100	2.4
235.02715	2.7
249.06125	16.6
256.31958	2.7
267.07379	2.6
279.23312	80.6
511.28665	2.8
529.30176	100.0
530.30707	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	529.3013
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
50.39938	0.9
54.43164	0.7
55.01859	1.1
57.03429	2.0
59.01378	16.0
71.01379	13.3
71.05849	1.1
72.99294	3.4
73.02945	1.1
75.00871	14.0
83.01379	1.3
85.02944	18.0
87.00881	5.0
89.02451	4.2
95.01376	5.7
99.00875	8.9
103.00364	2.7
113.02444	28.0
115.00349	1.8
117.01939	3.1
131.03488	0.6
152.35660	0.7
157.01392	1.1
175.02422	3.9
188.33377	0.7
200.51672	0.7
205.07173	1.9
226.02127	0.8
229.39992	0.9
249.06091	5.5
255.23270	2.3
267.07230	6.5
279.23270	54.7
280.23618	1.8
446.78046	0.9
480.30859	2.1
511.29025	2.5
529.30145	100.0
530.30566	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01376	9.4
61.98822	0.4
69.03431	0.3
69.08199	0.5
69.08603	0.6
71.01376	5.5
73.02946	0.9
83.01389	0.6
83.13808	0.2
85.02945	1.4
87.00874	0.9
89.02441	6.2
93.03458	0.3
95.01390	0.7
95.05003	0.3
95.63725	0.2
97.02980	0.3
101.02437	6.6
111.08153	0.4
113.02448	2.7
113.09716	0.5
119.03488	1.4
125.02459	0.3
125.09687	0.2
128.78400	0.2
131.03479	0.6
135.04530	0.3
135.70927	0.2
139.95036	0.2
142.94464	0.2
143.03526	0.6
161.04535	3.3
167.10780	0.3
173.04509	0.3
179.05594	1.4
179.14410	0.6
181.12354	0.2
191.05623	0.7
195.13892	9.0
195.15697	0.4
196.14629	1.4
205.12367	0.6
205.15968	0.4
211.13435	0.3
223.13379	6.0
224.13930	0.4
228.13651	0.5
231.21165	0.6
235.08270	0.3
239.12949	0.2
253.09277	31.5
254.09654	0.5
256.13135	1.1
265.21732	0.3
275.20126	5.5
278.45468	0.2
293.21213	100.0
294.21521	3.1
309.32898	0.2
424.37958	0.2
492.22107	0.6
529.29651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.6
61.98828	100.0
62.11460	1.8
67.31837	1.9
69.07312	13.2
71.01403	1.6
73.02968	3.2
87.59501	1.8
89.02488	2.3
90.79443	1.8
91.13493	2.0
96.95994	1.9
101.02457	2.3
133.02910	2.2
161.02415	4.0
201.09206	16.9
317.40585	2.1
342.66599	2.0
423.16595	3.1
440.56152	1.8
494.20401	6.7
530.17877	39.8
531.18384	2.9
559.91229	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	530.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98827	100.0
69.23862	1.2
71.26554	0.3
73.02914	0.4
76.53342	0.3
84.95132	0.8
93.03477	0.6
101.02457	0.4
113.02453	1.0
161.04488	0.5
167.03465	0.4
168.03908	0.3
173.04538	0.6
191.10759	10.3
193.11270	0.3
209.06160	0.6
225.05588	0.3
253.05051	6.2
253.07491	0.5
317.47708	0.3
353.15952	0.9
478.26736	0.3
531.28650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77221	0.3
55.40654	0.3
57.15279	0.3
59.01381	3.1
61.98830	100.0
62.38231	0.3
68.64609	0.3
69.32486	0.6
69.32889	1.0
71.01407	0.8
85.02969	0.3
88.98800	1.7
89.02450	0.6
93.03474	0.6
96.96012	0.6
98.22617	0.6
104.23686	0.3
113.02498	0.3
117.03435	0.4
134.03735	1.8
135.04196	0.4
149.06053	0.4
159.02989	0.4
160.84236	0.3
161.02554	0.4
163.07640	0.4
166.06403	1.2
167.07234	0.3
179.03558	0.3
181.08792	0.4
191.05664	1.3
193.05069	2.4
194.05441	1.3
205.27397	0.3
224.36748	0.4
235.75146	0.3
287.12909	3.1
367.10431	0.7
368.10776	1.1
467.19208	8.4
509.67075	0.4
530.29071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98829	100.0
66.05236	0.1
70.08324	0.4
71.01396	0.1
73.42852	0.1
76.64054	0.1
78.73841	0.1
89.02445	0.2
95.82669	0.1
96.96015	0.3
97.17194	0.1
100.93348	0.2
116.92883	0.3
117.92867	0.2
133.02621	0.1
191.05600	0.2
220.37762	0.2
240.17783	0.1
310.15405	0.1
334.41592	0.1
498.20764	0.2
530.16180	0.4
530.29352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.98828	100.0
69.30542	0.9
75.13856	0.2
84.55373	0.2
125.29213	0.2
150.37212	0.2
161.02521	0.3
445.96225	0.2
530.18292	0.8
530.29462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.0
57.03439	2.2
59.01377	13.1
61.98833	3.4
65.02099	0.7
67.01906	1.7
69.03465	4.6
71.01369	5.3
73.02943	2.5
79.01878	1.3
79.05521	1.5
81.02169	0.7
81.03457	16.3
82.02975	3.0
84.04542	22.9
85.02949	2.1
87.00871	1.6
89.02448	5.0
89.04004	0.7
93.03446	2.1
95.01374	2.6
95.05043	4.7
96.02148	1.7
97.02946	67.8
99.04536	1.2
101.02435	2.6
106.05386	0.7
107.05029	9.0
108.02173	1.3
109.02944	1.9
109.06578	2.2
111.00862	2.5
111.04528	6.4
113.02446	3.4
113.06068	3.7
115.04024	1.8
116.92785	0.8
117.03444	1.0
117.92829	0.7
119.03515	1.4
119.05016	3.3
120.05806	5.5
121.02937	1.3
121.06621	3.4
122.03720	2.0
122.09738	3.2
123.04521	11.3
124.01628	0.8
124.05312	0.8
125.02432	1.3
125.98686	1.5
125.99586	21.6
126.00515	1.2
127.00394	4.1
131.04977	1.0
133.06596	1.5
134.03728	3.2
134.09694	1.1
135.04514	10.6
135.08186	1.8
136.05319	4.3
136.11292	1.1
137.02429	1.5
137.06100	4.4
139.04039	5.0
141.01926	13.2
143.03505	0.7
146.03746	5.1
147.04485	2.3
147.08205	1.2
148.05270	1.7
149.02383	1.1
149.06068	8.6
150.03224	1.3
151.03996	11.9
151.07625	6.1
152.04771	4.1
153.05569	17.9
155.03516	1.4
159.04462	0.8
159.08174	0.8
160.05302	0.8
161.02480	3.6
161.04642	1.0
161.06079	2.9
162.03253	3.6
162.12849	2.0
163.03993	3.9
163.07642	2.0
164.04790	2.1
164.10785	2.0
165.05586	4.7
165.09314	0.7
166.06349	2.4
167.03438	0.9
167.07129	9.3
173.04646	1.2
173.06068	1.4
173.09714	0.9
174.06874	0.9
175.03979	1.4
175.07616	3.0
176.04755	1.1
176.10826	1.2
177.01921	27.3
177.05510	4.8
177.09114	1.1
178.02660	3.1
178.06189	0.9
179.03488	14.5
179.07097	4.3
180.04282	1.6
181.05139	0.9
181.08611	0.7
184.03741	1.0
186.12950	1.3
187.07649	2.8
187.11299	2.0
188.10805	1.2
188.14401	1.9
189.01892	1.7
189.05566	2.8
190.02681	3.3
190.12373	3.4
191.03488	2.1
191.05563	1.1
192.04326	1.2
192.13911	0.8
193.05045	1.3
193.08670	1.5
194.05849	4.2
195.06610	4.7
203.07140	2.7
205.01424	1.3
205.05026	9.6
205.08643	1.2
206.02190	8.6
207.02979	4.3
207.06570	4.6
209.08179	19.5
218.09036	0.7
219.10262	15.2
220.13365	1.7
221.04538	100.0
222.05115	5.0
222.14828	1.7
223.06125	1.7
223.09753	1.2
230.11801	1.2
230.15450	2.7
232.17084	5.0
237.07655	8.2
238.01256	0.9
242.15541	1.9
243.10179	1.2
248.16531	1.4
251.09276	2.0
253.07126	1.6
254.15462	1.8
258.14999	5.0
259.09711	0.9
270.14999	4.1
272.16525	8.2
276.15918	3.7
289.14386	4.3
290.64038	0.7
292.15598	2.8
304.19138	1.2
307.08258	0.9
310.17944	0.8
312.19675	1.9
317.13724	1.2
344.22171	2.9
356.18750	7.2
357.18808	0.9
360.21875	2.3
370.20313	0.8
378.20660	1.1
388.21280	60.3
389.21576	2.1
395.21075	0.9
397.63300	0.8
410.23578	4.0
414.26541	0.8
426.22754	4.1
428.20547	1.6
440.23822	0.9
442.26074	1.0
443.23035	1.1
454.22360	7.7
458.25452	28.9
459.25879	1.6
470.49796	0.7
486.24829	37.6
487.25253	1.8
498.21332	28.6
499.21561	1.7
512.23279	1.4
519.11957	1.0
530.23804	38.6
531.23846	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	530.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86955	1.3
51.99115	1.3
55.01882	4.1
57.03430	1.7
59.01378	7.7
61.65612	1.3
61.98832	12.0
69.03465	3.1
71.01383	4.0
73.02943	2.6
81.03448	13.3
82.02987	2.3
84.04546	24.2
85.02920	2.5
89.02421	1.8
93.03473	1.6
95.01383	2.2
95.05021	3.5
96.02196	1.9
97.02950	59.7
101.02393	1.9
107.05032	9.5
108.02166	1.6
109.02920	2.1
109.06582	1.7
111.00893	1.4
111.04515	5.9
113.02439	2.0
113.06066	4.0
115.04019	3.2
116.92899	1.5
119.05070	2.3
120.05826	4.7
121.06596	3.7
122.03752	1.6
122.09760	5.1
123.04520	10.3
125.99572	18.8
127.00348	3.8
131.85464	1.6
133.06554	2.4
134.03714	3.1
135.04539	9.9
135.08163	1.6
136.05280	4.1
137.06059	3.3
139.04010	3.9
141.01933	17.2
146.03741	3.3
147.04463	1.6
149.06068	6.4
151.04019	8.2
151.07622	2.9
152.04779	4.1
153.05582	16.5
159.08162	1.8
161.02434	5.3
161.06064	3.2
162.03210	5.5
163.03966	5.7
164.04776	1.5
165.05534	2.9
167.03442	2.1
167.07147	10.5
175.03946	1.5
175.07692	1.5
177.01935	23.7
177.05563	6.5
177.09364	1.4
178.02657	2.3
179.03499	11.6
179.07114	3.6
180.04289	2.2
187.07658	1.8
187.11317	1.6
188.10825	1.5
189.01904	1.6
189.05627	2.2
190.02708	2.9
190.12370	3.0
191.05663	2.4
193.04936	1.5
193.08549	1.5
194.05794	4.3
195.06619	2.7
205.05084	7.1
205.08698	3.1
206.02249	6.6
207.03008	4.5
207.06645	3.0
208.07477	1.5
209.08191	17.3
219.10213	15.8
221.04544	100.0
222.04985	2.0
223.06068	2.4
223.09807	2.5
230.11737	2.3
230.15527	3.2
232.17039	5.1
237.07620	6.6
251.09224	2.1
253.07253	2.6
258.14969	4.9
266.11667	1.7
270.14999	4.6
272.16669	9.1
276.16028	3.9
289.14514	4.0
292.15634	1.6
304.18918	2.3
307.07925	2.0
312.19739	1.4
344.22272	2.8
356.18567	6.6
360.21796	1.9
388.21277	64.4
389.21524	2.5
410.23340	4.5
426.23065	1.7
454.22202	9.0
458.25467	30.2
461.81635	1.6
471.22421	1.4
486.18192	2.4
486.24878	32.4
498.21417	30.6
530.23859	43.1
530.31744	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	530.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
57.03424	2.0
59.01381	16.8
61.98826	23.3
69.03440	4.5
69.12651	9.9
71.01402	2.7
71.13976	1.5
73.02939	3.3
81.03450	14.8
84.04552	23.3
89.02454	2.3
93.03467	3.4
93.37658	1.5
95.05042	1.9
96.02223	1.6
97.02949	61.8
98.22633	2.5
107.05048	6.9
109.02931	2.7
109.06586	2.5
111.00855	2.1
111.04507	5.3
113.02448	3.2
113.06068	3.4
119.05009	2.6
120.05836	3.9
121.06577	2.5
122.03791	2.2
122.09747	3.7
123.04501	9.8
125.02448	2.5
125.99588	19.2
127.00388	3.5
134.03755	2.5
135.04529	11.9
136.05299	2.2
137.06058	3.8
138.03300	2.6
139.04036	4.4
139.07402	1.8
141.01959	14.1
146.03764	3.6
147.04448	1.7
149.06093	7.0
151.04024	7.8
151.07625	4.8
152.04788	5.6
153.05592	14.2
159.04463	1.5
161.02431	5.5
161.05977	1.8
162.03253	2.7
162.12866	1.7
163.04012	5.9
164.04817	2.0
165.05582	4.2
166.06445	2.0
167.07126	7.8
173.04482	2.9
177.01926	21.4
177.05608	4.7
177.09215	2.1
178.02734	2.0
179.03473	10.9
179.07106	2.4
181.05061	2.3
187.07692	2.5
187.11398	1.7
188.14549	1.9
190.02667	4.2
190.12416	2.2
191.05597	1.8
193.05008	2.0
193.08743	1.8
194.05917	3.8
195.06622	2.5
203.07228	2.2
205.05049	5.8
206.02231	7.8
207.06709	3.8
209.08211	20.0
219.10257	16.1
220.13347	2.0
221.04546	100.0
222.05089	4.3
232.17130	5.4
237.07646	8.1
242.15538	2.5
258.14917	3.0
270.15018	3.4
272.16562	6.8
276.16058	5.2
289.14566	2.6
292.15509	2.2
310.18265	2.1
344.22037	2.8
356.18619	6.5
360.21863	1.6
376.23679	1.7
388.21292	62.8
389.21780	2.6
410.23267	5.0
426.22913	4.5
436.21878	2.0
442.26172	2.2
454.22433	6.7
458.25534	24.8
486.24963	28.6
498.21298	29.6
530.23621	32.1
535.88434	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	530.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40733	0.3
58.02968	0.7
59.01373	2.3
61.98827	100.0
69.08373	1.4
71.01386	1.2
72.00892	0.3
73.04075	1.0
74.02467	3.0
80.32410	0.2
82.29783	0.2
84.00924	0.3
84.08229	0.2
85.02945	0.3
85.04088	0.3
86.02480	0.6
87.05648	2.1
88.04031	0.4
89.02448	0.9
98.22611	0.5
101.02456	0.8
104.03526	1.8
106.04234	1.7
107.04607	0.6
110.02466	0.7
111.02055	0.3
112.04031	0.4
113.02454	0.6
115.08794	0.5
119.03514	0.6
126.06720	1.4
127.05135	0.3
129.06682	3.2
129.10350	0.6
130.08742	1.0
139.08748	0.5
140.07185	0.6
141.06755	0.4
143.11899	1.7
144.07784	4.2
148.05334	0.3
151.08759	0.4
153.10390	0.5
155.11919	2.3
156.54269	0.2
161.09720	3.1
162.10017	2.0
168.07806	2.5
169.06166	0.4
169.09872	0.9
170.06410	0.3
171.11356	0.3
172.10965	0.3
173.12915	0.3
177.81821	0.2
179.05679	0.3
181.09793	0.6
186.08821	4.7
186.10324	0.5
187.10867	0.8
191.05687	0.4
193.13353	0.3
197.16589	0.7
198.08945	0.3
205.08675	6.1
206.09012	5.7
216.09926	0.6
225.16109	1.0
256.20248	2.0
267.14615	0.5
268.20273	1.3
285.15778	0.5
286.21347	0.6
294.18201	0.3
313.22363	0.8
325.22498	0.5
352.12421	0.3
357.21555	0.3
369.21246	0.3
384.26245	0.4
413.24078	0.6
415.23627	0.3
438.27283	0.5
443.25146	0.4
450.23587	0.3
456.28296	0.3
470.26160	4.2
482.26083	0.8
500.27271	8.5
502.91794	0.3
512.27411	1.5
530.28296	22.8
531.28638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.1
61.98830	3.9
69.91369	1.7
69.91668	1.6
71.01376	2.4
78.95900	15.2
85.02950	1.8
89.02420	1.7
96.21478	0.9
97.32095	1.0
98.21874	1.0
99.00900	1.3
113.02457	3.6
114.02794	1.4
152.99570	2.7
166.49034	1.2
168.04309	1.9
191.05635	1.8
210.97353	1.1
224.06996	6.2
239.38654	1.0
242.08046	1.7
250.32625	0.9
255.23288	100.0
256.23630	2.1
277.21616	1.3
279.23312	2.4
280.23740	6.2
330.36865	1.2
480.30954	66.3
481.31375	2.6
529.75665	2.6
530.30780	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1144
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
59.01373	13.9
61.98824	9.1
67.01874	0.8
71.01382	7.1
72.97522	2.0
73.02942	1.6
77.13055	0.8
78.71523	0.8
81.03432	0.9
85.02944	7.8
87.00871	2.9
87.04498	1.2
89.02444	4.9
93.03462	5.7
95.04977	1.2
96.96009	7.7
97.02949	0.7
99.04504	1.8
99.92560	1.2
101.02435	7.4
108.02149	1.2
109.02953	14.5
111.04541	0.8
113.02489	3.7
113.03155	0.7
115.03967	1.1
116.92860	7.2
117.03468	0.9
119.03482	1.8
121.02947	2.7
123.04530	1.0
124.04656	0.7
125.02437	1.1
125.09016	0.7
127.04031	1.7
129.03447	1.0
134.03746	0.9
134.31979	0.8
135.04475	1.3
137.02449	2.2
139.04019	9.6
143.03458	1.6
145.02957	5.1
147.04532	12.0
157.02940	4.2
158.03732	1.4
159.04495	10.4
161.04584	1.5
173.02411	1.2
173.04521	4.1
174.03169	1.1
175.03989	3.3
179.05646	1.2
185.02446	3.1
187.04056	0.8
191.05608	45.6
191.49501	0.9
193.06567	1.5
197.06190	0.7
203.10809	0.9
205.08667	1.4
211.37151	0.8
221.06104	2.3
223.07739	0.8
224.04730	1.2
225.05426	0.8
229.01410	30.7
237.11229	0.9
238.06374	1.3
239.07114	1.7
248.04698	1.4
249.05537	4.9
250.06358	2.1
253.04990	1.7
266.05887	1.9
267.06601	17.1
269.08218	4.8
277.05023	11.6
278.05759	2.0
293.04504	3.9
294.05414	3.5
295.06082	22.4
296.06693	1.0
313.07077	3.6
339.05075	100.0
340.05377	2.9
344.47418	0.8
425.54840	0.9
487.12302	1.4
503.18707	0.9
531.11450	14.7
531.18823	1.6
531.24255	1.0
532.11157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01359	0.6
65.19678	0.3
69.03449	1.6
70.86824	0.7
85.02948	3.5
87.00877	100.0
88.01212	0.4
96.96035	1.3
101.02446	1.3
111.00870	0.5
112.01703	0.4
113.02453	2.6
129.01959	0.5
143.03522	0.6
157.01413	1.6
161.04561	1.0
189.04047	50.9
190.04434	0.6
225.04243	0.3
333.39832	0.4
357.01337	0.4
357.11038	0.8
451.91156	0.4
526.98969	0.4
545.03656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03242	0.1
65.00301	0.6
69.13504	0.6
70.02961	0.3
71.05017	0.4
91.01880	0.2
93.03442	0.1
98.21771	0.1
99.04495	0.2
113.03599	0.2
117.03449	0.6
124.91261	0.1
141.07106	0.1
143.05017	3.3
145.02953	0.2
146.08229	1.4
152.06291	0.2
153.07086	0.2
155.05017	0.1
156.50916	0.1
157.06523	0.2
159.08115	0.2
164.03563	0.5
165.07072	0.2
167.05005	8.7
168.05460	0.2
169.06567	1.8
171.04538	0.1
179.05000	0.1
180.05797	3.8
181.06570	4.1
182.03735	0.3
182.07278	0.1
183.04492	3.1
183.08032	0.2
184.05025	0.1
185.06068	1.7
186.51747	0.1
195.04498	0.2
196.05203	0.5
197.06059	3.4
197.60812	0.1
207.04480	0.7
208.03281	0.2
208.05276	4.6
209.06053	16.5
210.03188	0.4
210.06403	0.3
211.03970	2.8
211.34357	0.1
215.07065	0.1
217.11931	0.2
223.03993	0.2
224.04726	1.2
225.05545	8.6
227.07115	3.9
235.03998	0.5
252.04297	0.9
252.06660	0.1
253.05028	100.0
254.05368	2.0
268.90765	0.1
270.07693	0.8
271.06070	6.0
277.12219	1.4
330.08057	0.6
384.09152	0.2
401.11719	0.8
531.17969	2.2
531.26465	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	531.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64985	0.2
53.76915	0.2
59.96349	0.2
61.98811	0.7
66.64925	0.2
69.16476	1.4
78.91887	1.0
78.95898	11.5
79.95740	2.3
82.95405	0.3
96.96007	100.0
102.95052	0.2
105.27225	0.2
150.98013	0.3
152.99579	12.3
171.00618	0.5
176.89021	0.5
178.90605	0.3
178.94353	0.3
194.90021	3.5
194.93797	1.0
249.92134	0.4
250.92255	0.3
250.96278	0.3
267.93176	0.3
268.97339	1.5
279.23264	0.7
357.59561	0.2
433.23520	3.0
451.21603	0.3
457.17023	0.6
531.16846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75063	1.3
59.01385	1.6
59.53859	1.2
61.98808	6.3
65.35979	1.3
69.28153	1.2
70.16215	3.7
81.03416	1.3
82.89862	1.3
87.26615	1.2
93.03443	3.3
109.02951	3.3
121.02954	16.6
122.03723	9.0
123.04494	2.8
135.04550	1.9
136.05246	1.9
137.02432	6.3
147.04462	1.3
157.06635	1.5
158.07364	3.0
159.04546	2.8
160.05305	1.5
160.63753	1.4
163.04004	2.3
163.59828	1.4
173.06017	1.5
182.07358	2.8
184.88594	1.5
185.06113	1.6
186.06775	1.6
199.07698	3.1
200.08424	2.3
201.05652	3.9
202.06323	3.8
215.07207	1.7
225.05498	2.4
226.06299	4.5
229.04976	4.1
241.05077	3.4
241.08684	5.7
242.05737	1.5
243.06549	7.0
257.08258	2.4
259.09647	6.3
273.11417	1.5
275.95154	1.4
278.09650	1.9
294.12656	2.0
309.14932	5.4
311.12787	3.7
353.13779	3.1
361.10651	2.3
377.13959	2.4
380.12723	3.5
393.16953	2.0
395.14975	100.0
396.15247	3.4
429.17117	1.8
498.16873	1.8
513.19159	47.0
514.19653	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	531.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96781	0.5
55.01871	0.6
55.99576	0.5
57.03436	0.8
58.00596	1.3
59.01379	100.0
61.67384	0.7
61.98827	5.7
63.72548	0.5
69.65362	1.7
71.01380	54.4
72.99282	1.4
73.02946	1.7
83.01395	1.4
85.02946	8.0
87.00869	2.9
89.02444	79.1
90.38810	0.7
95.01376	3.7
99.92590	0.9
101.02447	24.8
111.00860	0.9
113.02450	22.7
119.03500	29.9
131.03490	3.2
137.02310	0.7
143.03491	5.6
149.04517	2.2
155.03552	0.9
161.04564	7.0
179.05618	22.6
189.09219	3.9
191.05583	1.6
191.10736	1.6
207.10167	0.6
207.11365	0.6
249.11227	1.2
249.13585	0.6
279.12396	1.1
339.08762	0.6
405.24457	0.8
411.16232	1.9
444.14594	0.6
471.18259	1.7
531.19006	0.7
531.29309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
60.94572	0.1
61.98546	0.2
61.98828	2.4
70.70748	0.1
70.71087	0.1
71.01371	0.2
73.50718	0.1
77.47240	0.1
78.91887	2.1
87.00845	0.1
89.02468	0.2
93.03453	1.2
101.02446	0.2
106.04216	0.7
111.00862	0.2
121.02959	2.1
125.02435	0.2
129.07063	0.1
132.99873	0.1
133.10208	0.2
134.03738	6.6
140.23625	0.1
145.06581	0.2
146.03720	0.1
152.04767	0.3
155.03523	0.2
159.04465	0.2
161.09711	3.2
163.10248	0.2
168.32625	0.1
170.07375	0.4
171.08151	4.7
173.06070	2.8
174.06857	0.5
187.07631	0.3
188.43361	0.1
189.09204	15.5
190.09534	0.3
191.05540	0.2
205.08694	0.3
206.08922	0.2
207.10254	100.0
208.10583	2.1
233.08279	0.2
272.14246	0.2
369.15521	28.9
370.15976	1.0
443.37943	0.1
495.28253	0.3
522.82794	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	531.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.74448	0.6
57.03455	0.6
58.00583	1.7
58.49028	0.6
59.01379	100.0
61.98832	2.7
71.01380	47.9
72.99309	1.7
73.02943	1.3
80.99345	0.6
83.01412	2.0
85.02956	6.5
87.00886	2.7
89.02444	78.4
93.03471	1.9
95.01396	2.3
97.03013	0.7
98.88869	0.6
101.02442	29.9
113.02450	22.9
116.92871	0.7
119.03500	37.7
122.18158	0.7
125.02435	0.7
131.03502	5.0
142.19969	0.6
143.03490	10.0
149.04570	2.3
161.04546	12.9
161.09700	1.8
171.08217	1.6
173.04651	1.0
179.05605	75.9
180.05988	0.9
186.49593	0.7
189.09206	20.9
191.05574	4.3
205.08722	1.3
205.86121	0.6
531.13361	1.4
531.20923	22.5
531.28790	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	531.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
57.98638	1.2
59.01383	6.4
61.98821	3.5
69.03448	1.5
69.12822	3.1
69.13240	3.8
71.01363	6.7
73.02943	2.3
85.02970	3.3
86.47482	1.0
89.02448	3.9
93.03450	2.0
101.02448	4.5
107.97195	1.0
113.02431	10.5
146.06154	2.3
161.04562	5.0
197.02277	3.4
197.20360	0.9
205.04160	1.1
289.21725	3.1
290.58594	1.1
333.20694	100.0
334.21143	2.4
417.24985	12.2
439.94714	1.2
471.25165	1.2
531.22699	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	531.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27074	0.6
69.38013	3.7
78.95891	4.1
85.00422	1.0
87.17008	0.8
99.34412	0.9
103.07727	0.6
110.98499	3.6
119.44887	0.8
185.02173	3.2
281.24838	100.0
282.25244	4.0
449.26703	30.0
450.27121	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	531.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
57.03434	4.5
58.00592	1.1
59.01377	77.4
61.98833	5.8
66.22103	0.8
66.84737	1.0
67.01889	1.4
68.99569	1.6
69.03451	10.8
69.69345	0.9
69.74026	1.6
69.74394	2.0
71.01376	53.3
71.04997	1.1
72.99316	1.5
73.02941	13.7
75.00848	1.0
79.95748	0.9
82.95428	1.1
83.01394	6.0
83.05022	1.8
85.02941	21.3
87.00875	5.7
89.02443	38.2
93.03452	5.4
95.01392	5.2
95.04996	1.3
96.95985	2.0
97.02914	2.2
98.22594	1.3
99.00901	5.8
99.04508	1.6
101.01790	2.1
101.02441	36.4
107.05032	1.5
109.02980	1.5
109.06590	1.3
111.00870	2.1
111.04520	3.5
112.98551	1.7
113.02444	73.2
113.06071	2.4
119.03504	15.7
123.04574	1.1
125.02428	1.7
131.03477	1.7
133.02945	1.6
134.03761	1.6
135.04561	2.4
139.03998	9.6
143.03468	4.9
147.04352	1.1
149.04639	1.0
155.03490	3.0
159.03000	4.0
161.02477	1.3
161.04553	25.1
161.09711	4.0
166.99847	1.0
173.04506	7.0
179.03465	1.3
179.04160	1.2
179.05594	9.4
179.10869	1.2
187.11292	3.0
189.09183	1.8
191.05614	13.5
192.05841	1.1
193.05049	1.0
205.12303	1.5
275.09387	1.3
281.12204	2.2
325.76248	1.0
339.08701	1.6
349.18640	1.7
399.23798	1.7
417.24918	100.0
418.25162	3.4
430.74188	0.9
448.26422	1.0
474.38065	1.2
531.14154	0.9
531.27820	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	531.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
57.03444	3.2
58.00587	0.4
59.01379	37.1
61.98816	1.3
67.01889	0.5
68.99804	0.4
69.03453	11.5
71.01379	52.6
72.01719	0.9
72.99284	0.5
73.02947	17.1
73.83884	0.4
75.00877	0.7
79.54485	0.3
81.03430	0.6
82.95431	0.6
83.01385	6.5
85.02947	23.6
87.00889	2.3
87.04525	1.2
89.02444	17.3
89.03008	0.6
93.03439	1.7
95.01373	4.1
95.04977	0.4
96.96021	0.4
97.02950	1.3
98.00111	1.3
98.95547	0.4
99.00878	6.4
99.04517	0.4
101.02439	33.6
111.00897	0.9
111.04498	0.8
113.02446	77.3
114.02801	0.6
115.03968	0.6
116.92844	0.4
119.03494	8.1
119.04993	0.5
121.64364	0.3
125.02433	1.3
127.23361	0.3
129.01950	1.3
131.03476	1.2
134.03685	0.4
135.04462	0.4
137.02420	0.8
139.04019	3.9
143.03496	3.4
149.04547	1.4
159.02982	5.0
161.04553	36.3
163.03986	0.6
173.04543	2.9
178.83527	0.4
179.03537	0.4
179.03923	0.5
179.05597	4.1
181.15891	0.4
191.05598	2.1
205.03534	0.7
211.39012	0.4
248.22185	0.4
255.19638	2.7
297.20871	0.5
315.84229	0.3
316.42880	0.3
347.21399	0.4
349.16660	0.4
370.96213	0.4
374.06168	1.0
399.23709	1.5
417.24976	100.0
418.25320	3.6
432.33133	0.4
449.14398	0.8
531.28009	14.2
532.28210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
56.20181	0.7
57.03439	3.2
59.01379	39.3
61.98825	1.6
69.03452	12.3
69.26035	3.0
71.01381	51.9
73.02946	17.0
75.00858	1.5
77.42086	0.8
83.01390	6.7
84.02231	0.7
85.02949	23.7
87.00880	2.0
87.04503	1.8
89.02444	17.4
91.85793	0.9
92.11637	0.7
93.03461	1.9
95.01383	4.5
97.02968	1.0
98.00068	1.1
99.00883	6.2
101.02444	32.1
112.80630	0.8
113.02451	75.7
114.02766	0.9
119.03513	7.6
125.02393	0.9
129.01973	1.0
131.03488	1.4
135.04460	0.8
139.04021	3.7
143.03506	4.4
143.04471	0.7
149.04616	1.1
159.02991	4.0
161.04555	37.3
173.04529	1.7
179.05609	3.5
191.05672	1.3
255.19652	2.7
374.05893	1.2
399.23618	1.0
417.24948	100.0
418.25211	4.6
449.14569	1.2
531.27759	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	531.318
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
56.44147	1.6
57.03438	3.3
59.01377	15.9
59.82550	1.7
61.98821	2.8
63.41562	1.4
71.01386	15.9
72.99310	5.0
73.02952	2.7
75.00865	12.2
81.71616	1.3
85.02950	20.8
87.00868	5.8
89.02460	6.8
93.03472	1.8
95.01400	4.1
96.95992	2.4
99.00890	8.7
101.02438	1.6
103.00333	2.4
111.10352	1.4
113.02451	25.6
117.01934	3.0
149.03596	1.5
152.04858	1.5
175.02531	3.9
179.39339	1.5
191.05640	4.2
220.60846	1.8
249.06163	3.8
267.07224	5.7
279.23505	2.1
281.24860	63.0
388.14273	1.7
440.70181	1.5
531.31812	100.0
532.32086	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	532.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53249	0.4
59.01372	2.5
61.98825	2.8
68.96803	0.4
71.01371	2.6
71.43079	0.6
73.02949	1.0
78.97265	0.4
82.95409	0.6
83.01368	0.5
85.02933	1.4
89.02448	0.9
93.03444	0.8
94.41078	0.4
95.01409	0.7
96.95994	0.5
101.02435	1.8
109.02917	0.5
109.30008	0.4
111.00868	0.5
113.02431	1.1
118.06627	0.5
121.02953	4.0
123.00847	1.7
131.03760	2.6
137.02428	1.7
138.03226	1.5
139.03992	0.8
144.04549	9.9
146.06111	100.0
147.06413	2.3
153.05602	3.8
162.05540	0.7
166.99875	1.2
181.01407	1.3
182.02217	3.1
183.02945	2.6
188.03395	0.4
188.07085	0.7
190.05081	15.7
191.05511	1.1
197.04541	12.4
204.06795	0.6
264.47202	0.5
326.06403	2.7
327.07343	1.1
334.09311	0.6
341.08749	35.6
342.09094	0.7
488.15631	5.5
532.14636	8.9
532.28418	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	532.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.6
60.74013	0.4
61.98824	0.5
62.10545	0.3
67.60853	0.4
69.52244	1.2
71.01385	0.6
72.00909	15.3
72.99310	0.4
87.00866	0.4
91.05558	1.0
96.96011	0.4
101.02437	0.4
103.05512	0.9
104.70579	0.4
108.97202	4.1
113.02438	0.7
123.04504	0.9
123.71289	0.4
127.96632	1.3
136.96758	0.5
144.99609	0.4
147.04526	40.9
148.04858	0.8
154.97755	10.7
156.99353	0.5
159.02982	3.3
164.07162	47.3
165.07440	0.8
167.03520	0.7
191.05621	2.0
200.98300	6.7
202.99847	0.8
275.03708	0.3
293.04572	1.3
364.08459	0.5
440.11243	4.4
441.12067	0.5
532.17633	100.0
533.18024	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	532.1955
Annotation	JWH 018 N-(5-hydroxypentyl) beta-D-Glucuronide
Peak:m/z	Relative Intensity
55.33221	1.9
56.46595	1.9
59.01372	9.7
61.98828	37.4
69.12862	4.7
69.13263	8.1
71.01386	4.8
78.91850	2.6
80.91653	2.7
82.95423	5.8
93.03453	7.6
97.19290	2.2
98.21880	4.3
101.02422	2.6
161.02324	4.4
165.15952	2.1
173.04594	10.0
174.04869	4.2
191.05608	16.0
192.05937	6.0
297.78134	2.2
340.09018	4.5
381.77692	2.5
532.19617	100.0
533.19360	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	532.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.3
61.98829	100.0
66.05942	0.3
78.95911	0.8
82.50804	0.3
91.36060	0.3
98.09344	0.3
123.76997	0.3
137.02299	0.3
140.06166	0.3
152.99605	1.0
216.53831	0.3
240.55312	0.3
303.14960	0.3
393.74194	0.5
452.69052	0.3
469.20169	2.2
523.41736	0.4
550.65527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78265	0.4
59.01364	0.6
61.98829	100.0
69.30263	2.0
87.20991	0.5
88.29906	0.5
268.10919	1.1
269.11566	2.5
283.13528	1.5
284.13712	2.8
319.75299	0.5
322.44318	0.5
413.32535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	27.0
59.90302	8.6
61.08909	7.8
70.33649	14.6
70.33965	9.3
72.58546	8.2
83.05433	7.7
84.64439	7.8
86.14986	7.9
89.02482	18.9
91.04006	100.0
279.26883	43.7
323.25864	44.3
341.26868	44.5
344.16019	8.7
397.29523	71.6
415.30597	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	22.7
62.41657	6.3
70.09415	13.3
88.23838	6.1
89.02421	9.5
91.03524	9.0
91.04018	100.0
96.79959	6.0
97.09126	5.3
98.21928	6.9
151.72234	5.9
279.26965	41.0
298.00189	7.1
323.25958	47.0
341.26956	53.9
397.29617	52.8
415.30673	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53552	5.8
59.01378	17.3
81.40963	6.0
89.02444	12.8
91.03528	8.4
91.04017	100.0
111.12045	7.4
115.73890	5.9
152.38525	6.1
210.17654	5.8
279.26938	60.3
323.25784	42.4
341.26974	50.8
374.63309	7.4
397.29562	54.3
415.30753	81.8
505.65225	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	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
73.78169	1.0
89.02419	1.7
90.49787	1.0
93.03484	1.3
96.88091	1.1
107.01391	1.4
135.00906	2.2
139.03923	1.0
151.00356	2.0
151.15529	1.0
159.04480	1.8
163.00410	2.2
185.06024	2.0
187.03989	2.4
195.04411	1.5
197.06122	1.2
211.03992	2.2
213.05490	2.2
215.73972	1.0
227.03481	25.8
229.05045	9.8
234.02895	1.1
239.03503	2.2
241.05064	1.6
255.02972	56.7
256.03583	4.2
257.04596	5.3
267.02664	1.3
284.03256	94.0
285.04034	100.0
286.04373	2.7
404.98187	1.0
483.72360	1.3
489.10367	56.3
490.11069	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	5.6
61.98825	11.2
69.26653	2.7
69.27059	1.5
78.95882	1.2
89.02451	1.4
93.03452	2.6
96.00893	0.8
96.96011	1.7
99.92561	1.3
101.02453	2.0
107.01379	1.7
109.02977	1.5
113.02444	1.5
116.92882	0.8
118.96405	0.9
132.02161	0.8
132.04541	0.9
135.00876	1.4
135.04553	0.9
137.02425	0.8
146.06122	1.8
151.00388	2.3
159.04507	0.8
161.02428	3.2
161.04585	1.1
163.00331	1.9
164.07217	0.9
167.66554	0.7
173.04512	1.1
179.03503	2.1
185.06126	1.6
187.04021	2.6
189.05583	1.3
191.05582	3.8
199.04054	1.6
211.03954	1.8
213.05577	1.2
221.81242	0.7
227.03493	23.0
229.04994	9.5
239.03461	1.0
241.04903	1.2
255.02960	53.8
256.03644	3.6
257.04486	4.9
268.57764	0.9
284.03247	77.1
285.04010	100.0
286.04202	1.6
338.08069	1.6
341.10092	1.0
353.10208	3.4
489.10352	57.1
490.10483	2.1
533.25751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.8
55.97441	0.8
56.96886	0.9
57.03435	2.3
59.01378	42.9
60.01711	1.2
61.01801	0.9
61.98823	1.0
63.50848	0.8
67.01883	2.2
68.99807	1.2
69.03453	2.3
69.45028	3.4
70.09621	0.9
71.01381	42.3
72.01686	1.3
72.99297	6.7
73.02934	4.0
74.02447	1.3
75.00872	8.4
81.03465	0.9
83.01371	8.8
85.02946	14.8
87.00889	4.6
89.02444	32.6
90.02780	1.8
91.02867	2.2
93.03426	1.6
95.01382	6.1
96.96002	2.0
96.96959	1.2
97.02950	3.3
99.00267	1.3
99.00880	21.8
99.05634	1.1
99.92588	1.5
101.02435	11.0
102.02728	1.3
109.02942	1.2
111.00883	25.1
111.01653	1.5
111.04510	1.1
113.01706	1.7
113.02446	22.5
114.01996	1.0
114.02772	1.5
115.92032	1.1
116.92854	1.1
119.03506	5.2
120.03787	1.0
121.02957	73.4
122.03267	0.8
125.02410	3.2
128.03531	2.7
129.01924	6.8
131.03474	1.4
139.00375	5.7
139.04019	2.2
143.03535	1.9
143.04613	2.8
144.91608	0.9
149.04567	1.9
151.04036	0.9
157.01411	2.5
161.04544	3.0
175.02409	1.2
179.05624	7.7
180.06029	1.2
181.05998	1.6
191.05588	3.7
213.04041	2.4
221.06589	1.9
231.04956	1.2
249.06088	1.7
272.08856	1.7
272.88660	0.9
306.07620	6.5
327.04324	0.9
335.07724	8.3
337.07761	3.1
339.39163	1.0
353.08661	0.9
358.73077	0.9
411.11395	25.1
465.50894	1.0
533.15045	100.0
534.15588	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13100	0.2
61.98814	1.0
69.26222	1.2
78.91885	0.7
78.95898	25.8
85.82087	0.2
85.87972	0.2
96.96007	3.5
96.96954	0.6
98.95576	2.8
98.96438	0.5
99.92587	0.4
116.92848	0.9
152.99620	1.5
162.88890	0.4
163.59410	0.2
164.90480	0.9
178.88417	14.7
179.89233	3.8
180.89996	8.4
181.90617	0.3
194.90005	0.2
196.89470	100.0
197.89484	1.3
222.83072	0.2
228.74339	0.2
234.91046	0.6
252.91974	0.6
271.48566	0.3
279.23303	0.3
280.23599	0.4
302.86972	0.2
387.70270	0.2
402.91739	0.2
441.11325	0.3
457.10822	0.7
459.12503	0.4
497.14417	0.3
502.28506	0.3
515.15179	0.7
533.16119	13.1
534.16284	0.6
544.76807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.9
61.98830	19.7
64.78311	1.5
67.49112	1.2
70.40836	1.3
71.01382	7.7
74.69585	1.3
78.48721	1.2
79.35002	1.2
82.95411	2.0
89.02448	7.1
101.02446	2.7
113.02436	5.7
119.03501	3.2
122.28194	1.3
131.03372	1.5
135.04607	1.7
145.02951	2.3
162.03227	1.6
179.05569	1.8
191.05640	2.2
207.08144	2.8
223.07652	2.9
234.06982	1.7
235.07616	4.7
251.07104	17.9
262.06296	2.7
263.07114	10.3
264.07846	4.4
267.06729	1.8
278.09427	2.2
279.03833	2.2
279.06653	26.9
293.08139	1.9
294.08994	11.7
295.06137	8.6
304.04266	1.5
307.06116	6.9
310.08405	4.4
322.08347	9.0
323.05576	27.0
323.09109	2.6
337.07159	1.5
338.07983	23.4
353.10297	100.0
354.10727	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1661
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
55.50668	1.4
59.01382	16.4
59.19680	1.3
61.98823	15.7
69.18512	4.4
69.18915	3.4
71.01372	7.1
73.02931	4.1
82.95414	31.5
85.02938	3.2
89.02440	4.5
93.03453	15.6
94.98096	2.9
96.05546	1.5
96.96008	3.5
98.21943	3.1
99.00815	1.7
101.02439	6.0
108.02191	9.8
113.02451	4.8
114.21445	1.6
119.03551	1.8
119.05005	2.2
121.02920	2.9
123.00866	5.1
123.04520	12.7
131.05060	2.7
133.02905	2.1
134.03741	46.1
135.04512	3.3
137.02443	30.0
147.04425	1.8
147.08165	7.4
149.06091	17.5
151.04021	3.2
152.01111	4.2
155.03542	1.8
161.02397	5.6
162.03215	23.2
167.03499	9.0
173.04465	2.5
173.05983	1.8
175.03941	2.6
177.05537	18.5
178.02719	35.3
179.03308	2.1
185.08617	1.5
189.09293	1.4
191.05540	2.6
191.07114	1.7
192.04149	1.5
193.05051	100.0
198.06750	3.4
215.07042	2.1
217.00302	1.8
247.06117	7.2
257.08127	9.8
304.49451	1.5
327.12268	3.9
334.16608	6.7
335.17041	11.1
359.64905	1.6
371.11331	98.9
372.11673	2.8
413.12405	1.6
419.13379	26.0
436.16837	1.8
495.31738	2.1
533.16925	8.2
533.29767	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	533.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58720	1.0
55.93588	0.8
58.46066	0.9
59.01389	4.2
61.64757	0.9
61.98819	4.1
69.03450	0.9
71.01363	2.0
71.43426	1.1
73.02947	1.1
81.03460	1.2
83.01390	1.7
87.95421	0.9
93.03468	1.0
95.04999	1.5
96.95998	2.2
97.02945	0.9
101.02450	1.0
101.06108	0.9
108.02203	1.0
109.02921	0.9
111.04504	0.9
113.02467	1.7
119.03445	1.1
121.02895	1.7
121.06562	1.4
123.04513	2.7
125.02414	3.2
125.06087	2.3
130.08684	1.0
134.03752	1.6
134.15010	0.9
135.04575	1.2
137.02405	1.8
139.03984	2.8
145.02892	1.4
149.06061	1.4
150.03192	0.9
151.04037	0.9
160.05127	1.1
161.02402	1.1
165.05542	1.2
165.09225	2.7
167.03450	6.0
178.02641	1.4
179.03487	1.7
179.10765	1.2
181.08757	1.1
191.05513	1.6
193.05025	3.6
195.08153	2.0
197.04495	2.1
209.04491	5.1
209.06282	1.1
209.08156	3.8
211.07579	1.2
221.06116	1.7
221.08087	1.7
223.07634	3.7
223.09554	0.9
224.04797	1.1
234.06839	1.8
235.07556	3.3
237.05460	1.2
237.09109	1.1
239.07159	2.9
245.56078	1.0
249.05576	2.2
250.06287	1.8
251.07062	12.3
251.09299	6.3
252.07777	0.9
253.08690	1.1
262.06262	2.5
263.07050	8.0
263.09341	2.3
264.07852	3.6
265.04846	1.5
265.08755	1.4
266.05765	3.5
267.03702	1.4
267.06598	23.3
268.06894	1.4
277.05042	1.4
278.05801	1.2
279.06638	22.0
281.07782	2.2
281.10547	2.0
282.08948	12.5
293.07312	1.9
293.10327	30.9
294.05286	6.0
294.08905	7.5
295.06143	8.9
297.11359	4.7
305.10358	1.3
306.05176	1.1
307.06125	4.4
309.07700	8.5
310.08459	4.5
311.05548	3.0
321.07535	1.8
322.08493	7.2
323.05606	22.0
323.11392	21.3
325.07269	1.1
326.07895	10.0
338.07965	22.1
341.10275	67.4
342.10571	3.2
353.10196	100.0
354.10577	3.2
371.11203	1.5
387.10944	1.7
395.13379	2.3
413.14365	5.3
515.17151	1.1
532.31879	1.3
533.18585	5.0
533.25806	4.4
553.07465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45279	0.6
59.01382	2.9
61.98825	4.7
69.24794	0.8
69.25204	2.9
71.01388	0.7
78.91870	0.6
80.91675	8.6
82.95403	0.8
85.02974	0.7
89.02449	0.6
93.03448	0.8
96.95997	3.1
96.96935	0.8
99.92563	0.8
109.91122	0.6
110.18069	0.6
115.92074	1.2
116.92884	1.5
121.02937	2.2
134.03729	0.7
135.04451	0.9
145.02963	1.7
162.19279	0.6
191.05563	1.4
191.68799	0.7
207.08174	1.9
209.05998	0.7
211.07668	1.2
221.06123	1.5
223.07588	2.9
224.04810	0.7
225.05515	1.0
233.05965	0.7
235.07646	2.1
237.05565	1.2
238.06265	0.7
239.07166	5.0
249.05511	3.3
250.06297	1.3
251.07144	13.9
252.07869	0.8
261.05466	0.7
262.06332	2.6
263.07111	7.9
264.07895	2.7
265.05121	0.7
265.08615	1.0
266.05783	2.0
266.09363	0.9
267.06598	23.3
268.07010	0.7
277.04980	0.7
277.08762	0.7
278.05859	1.0
278.09427	0.9
279.06610	20.5
281.08148	1.4
282.08948	13.1
293.04913	1.0
293.08112	1.4
294.05380	6.4
294.08945	8.5
295.06085	8.7
297.11334	4.9
307.06143	3.6
308.06702	1.5
309.07678	9.7
309.11127	1.1
310.08432	4.0
311.05566	2.7
321.07672	2.2
322.08310	8.5
323.05624	23.5
323.09155	2.3
326.07956	9.8
338.07974	22.3
341.10272	60.7
342.10724	2.0
353.10269	100.0
354.10681	2.7
371.11285	1.0
377.21881	0.8
533.26208	0.6
534.13904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43560	0.7
59.01381	3.5
61.98830	5.0
69.13514	0.7
70.64986	0.8
70.65309	0.9
70.73532	0.7
71.01384	2.2
72.67515	0.7
73.02931	0.8
80.91670	1.6
85.02965	0.6
89.02460	0.8
90.86718	0.7
96.96011	2.1
101.02478	0.9
101.33881	0.6
110.03841	0.6
117.24758	0.7
121.02929	3.5
143.03508	0.8
145.02962	1.2
146.03708	0.7
160.05263	1.1
173.04521	1.0
191.05589	1.3
193.05098	0.9
195.08165	1.2
207.08212	0.9
209.06102	1.6
211.07654	1.6
221.06152	1.5
222.06892	1.3
223.07655	2.7
224.04704	0.7
225.05605	0.7
233.06068	1.0
234.06767	1.8
235.07625	2.4
237.05605	2.0
239.07188	4.7
248.04715	0.8
249.05560	3.4
250.06271	2.1
251.07117	13.3
252.04750	0.7
252.07729	1.8
261.05573	1.3
262.06265	1.9
263.07156	6.5
264.07870	2.3
265.05130	1.2
265.08621	2.2
266.05911	2.0
267.06616	23.4
278.05750	1.4
278.09555	1.1
279.06601	23.6
279.09451	0.9
281.08197	2.4
282.08948	12.3
293.04507	0.7
294.05356	7.1
294.09009	8.9
295.06067	9.1
297.11301	10.6
306.05374	0.9
307.06210	3.8
308.06854	2.3
309.07666	8.7
310.08459	3.2
311.05475	2.4
321.07709	1.5
322.08411	7.8
323.05630	21.7
323.09216	2.0
326.07944	10.2
335.15088	1.6
336.17990	1.7
337.07199	0.8
338.03882	1.2
338.07959	22.0
339.08176	0.8
341.10275	66.7
342.10541	1.9
353.10281	100.0
354.10629	3.4
367.70691	0.8
371.11252	1.0
470.37360	0.8
495.28140	1.5
497.22552	0.8
497.29745	5.4
533.17218	1.7
533.27637	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98838	0.8
91.38564	0.8
96.96011	1.3
97.05927	0.7
101.96014	0.8
108.54656	0.7
121.02953	1.7
145.02957	1.6
160.05331	0.9
191.05592	1.1
200.13788	0.8
206.07317	1.1
207.08151	0.9
209.06076	1.3
211.07622	1.0
221.06105	1.0
222.06841	0.8
223.07651	2.7
233.06181	0.8
234.06805	0.9
235.07600	2.8
237.05548	1.2
238.06349	1.0
239.07133	5.1
241.36272	0.7
249.05525	2.3
250.06346	1.3
251.07091	12.4
262.06180	2.1
263.07138	6.4
264.07861	2.7
265.05215	1.6
265.08530	1.5
266.05719	1.1
267.06595	21.5
277.08597	0.9
278.05890	0.8
278.09238	0.9
279.06613	16.2
281.08090	2.0
282.08963	11.7
294.05334	6.5
294.08990	7.1
295.05981	6.5
297.11185	5.0
307.06070	3.1
308.06772	1.3
309.07727	7.6
310.08362	3.2
311.05649	2.2
321.07785	1.4
322.08417	8.6
323.05606	18.1
323.09082	1.8
326.07947	9.1
338.07956	17.8
339.08179	0.8
341.10266	62.1
342.10715	2.1
343.78033	0.8
353.10266	100.0
354.10590	2.4
407.18027	0.7
501.15091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
60.32934	0.3
69.25446	1.4
69.25840	0.7
71.01373	0.9
83.05023	0.4
85.02951	6.1
87.00873	1.1
93.03463	2.2
95.92886	0.3
99.04495	0.3
100.94132	0.3
109.02943	0.7
109.97820	0.3
111.04525	0.8
127.04030	1.9
136.24593	0.3
163.69014	0.3
171.03072	0.5
173.04536	0.9
185.26416	0.3
188.65585	0.3
190.73381	0.3
191.05617	100.0
192.05925	1.6
217.35600	0.3
329.03317	0.3
495.04889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
69.03453	2.3
69.63547	5.4
76.38602	1.2
85.02944	10.1
87.00862	1.9
93.03461	3.5
98.21951	2.3
111.04545	1.2
113.02454	2.3
115.04037	2.1
127.03993	3.3
157.01439	1.8
159.02956	1.6
188.88860	1.3
191.05611	100.0
192.05978	2.4
192.28923	1.2
196.98657	2.9
228.06012	1.3
236.70798	1.3
387.89862	1.3
434.93225	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56240	0.8
59.01381	6.7
60.03414	1.0
61.98835	11.7
70.25256	1.9
71.01379	4.3
73.02919	0.9
82.95434	3.6
85.02918	1.5
87.00864	2.2
87.42002	0.9
88.98809	2.0
89.02455	4.3
100.04038	1.2
101.02451	2.2
113.02451	1.6
121.02961	1.3
136.01648	7.5
137.02501	1.2
144.02979	0.9
148.05287	13.1
151.00357	1.9
151.03993	13.8
161.02469	1.6
161.72437	0.9
166.02742	5.9
180.04250	4.6
181.05099	7.7
191.05690	2.1
203.10777	100.0
204.11110	2.0
225.09242	1.8
233.06718	1.2
256.11642	1.8
293.08752	10.8
329.06381	1.1
357.09650	1.9
361.46835	1.0
372.12173	1.7
387.14502	23.6
476.18924	1.1
497.20737	1.3
533.17963	9.5
533.29791	4.8
539.06299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	84.5
61.98815	2.4
71.01383	9.4
71.31561	2.4
73.02940	4.2
79.31863	2.1
81.85929	2.4
85.02948	4.6
87.25364	2.6
93.03473	5.2
99.04563	2.8
101.02436	8.0
113.02453	4.7
120.01270	3.3
143.03517	3.3
153.09206	6.0
155.97133	3.0
158.68419	2.6
173.04518	10.1
203.50854	2.6
225.09218	52.8
253.08722	68.8
254.09418	24.4
268.11050	95.5
269.11746	20.4
371.13272	11.0
473.11368	5.5
473.18179	100.0
474.18539	4.0
533.29889	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	533.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	37.9
60.63131	1.2
61.98829	2.1
68.01395	1.4
69.46416	5.8
71.01383	14.6
73.02932	4.6
82.01736	12.0
82.95422	3.6
83.01360	1.6
84.00906	7.2
85.02944	8.0
86.02473	28.5
87.00867	4.3
89.02439	10.7
91.05534	3.2
93.03476	1.5
95.02495	1.5
95.05016	1.8
96.95992	1.3
97.06608	1.5
98.01249	2.8
101.02441	9.2
106.06638	1.8
111.00891	1.7
112.00409	100.0
113.02445	7.2
116.05058	11.6
116.92844	2.4
118.06623	8.6
119.03510	3.1
129.10376	1.5
130.05353	1.6
132.06944	5.4
133.05347	3.3
133.07710	33.5
134.06113	2.8
139.04025	25.4
139.08839	1.5
146.06137	1.9
153.10303	3.4
154.08736	4.6
155.03502	3.2
155.08263	42.5
157.07727	1.9
158.08508	5.6
159.05615	7.0
160.03969	2.2
161.04564	2.1
170.06146	1.7
171.05602	1.7
173.04655	1.6
173.07147	10.2
179.05670	2.4
187.07495	7.3
191.05620	9.0
200.14429	2.7
201.13962	15.8
203.08284	4.2
219.07741	9.7
242.11894	8.2
244.13454	4.1
256.14651	7.8
262.11063	28.4
263.11679	2.0
264.10294	6.2
276.17499	2.0
278.12912	1.3
287.11932	1.9
329.22974	1.5
331.18069	7.8
333.12305	3.2
348.20721	9.6
349.18842	2.0
355.26538	1.3
376.20267	93.0
377.20578	3.0
418.21280	2.0
420.19302	47.9
421.19562	1.5
457.24771	1.8
462.19995	2.8
473.27280	2.5
489.21545	12.6
491.28598	1.5
533.20374	18.9
533.29529	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
59.01380	100.0
61.98829	1.3
70.65344	0.8
71.01378	5.2
73.02953	2.0
82.95422	4.7
83.01404	1.3
85.02951	4.9
87.00883	6.2
89.02470	1.8
93.03443	0.6
95.01374	0.6
96.18134	0.4
99.00899	1.8
101.02437	3.9
108.02209	0.5
112.00418	2.1
112.01677	0.5
113.02453	5.3
118.97904	0.5
119.03558	0.5
123.04497	1.1
125.02460	0.9
125.06120	1.7
133.07782	0.8
141.05612	1.0
143.03525	1.4
155.08345	0.8
161.04585	1.6
169.05057	1.1
262.11014	0.7
270.62222	0.4
315.18204	1.1
355.17783	0.6
376.20486	2.0
420.19370	0.7
421.19232	0.6
429.21295	23.1
430.21899	0.7
447.22330	10.5
447.28174	0.5
489.23413	3.1
533.29547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61642	1.3
59.01373	31.9
61.98835	9.1
69.13332	4.7
69.13741	3.1
71.01387	8.3
73.02939	3.5
82.95437	1.6
85.02930	4.2
87.00871	1.9
89.02442	6.6
93.03447	3.7
98.22600	2.7
101.02440	5.9
113.02444	3.0
119.03431	2.5
146.06097	1.7
188.04797	4.1
191.05588	5.9
194.88966	1.5
197.02234	7.3
203.07098	7.4
217.00232	2.3
253.05020	6.5
254.05351	3.5
255.05869	1.6
290.87567	1.5
311.22137	2.8
335.22263	100.0
336.22403	3.6
473.27307	4.5
491.28543	3.2
533.16412	11.6
533.24847	19.2
533.30023	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	533.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08209	0.8
59.01372	2.2
62.46253	0.9
65.39498	0.8
66.18281	0.8
69.14378	5.2
83.69196	0.9
84.95087	1.6
87.41610	0.8
93.03472	1.0
95.53323	1.0
98.22610	1.5
131.31227	0.9
150.17857	0.9
164.69409	0.9
175.42157	0.9
197.02173	9.0
248.91656	1.0
328.49490	1.0
335.22253	100.0
336.22513	3.5
533.25055	48.4
534.25226	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	533.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.9
61.98842	2.1
69.14214	3.1
71.01406	0.6
78.82056	0.5
89.02459	0.6
186.13184	0.5
191.05670	0.5
197.02209	7.3
315.66556	0.5
335.22266	100.0
336.22711	4.0
433.02078	0.5
503.07806	0.5
533.25165	37.6
534.25452	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	533.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
56.99796	0.2
57.03445	1.4
58.00593	1.6
59.01377	100.0
60.01708	0.5
68.99841	0.1
69.03461	0.3
71.01379	52.8
72.01737	0.4
72.48058	0.1
72.99313	1.6
73.02946	2.9
75.00866	0.3
81.03432	0.2
83.01382	2.9
84.02163	0.2
85.02950	11.1
87.00878	2.9
89.02442	71.8
90.02771	0.4
95.01392	3.5
96.96030	0.5
97.02943	0.4
99.00882	0.8
100.87237	0.1
101.02441	31.8
102.02814	0.3
107.03459	0.2
110.09991	0.1
111.98132	0.1
112.31284	0.1
113.02448	22.7
114.02811	0.1
119.03500	33.9
120.03835	0.3
125.02429	0.6
129.01996	0.1
131.03494	3.3
139.04025	1.0
143.03481	5.8
149.04536	3.1
159.03014	0.3
161.04555	7.8
179.05605	18.2
180.06067	0.2
191.05484	0.2
192.27158	0.1
197.14510	0.2
255.91286	0.1
285.03708	0.2
353.19904	0.3
371.20584	0.4
531.91168	0.2
533.26001	10.3
534.26160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2598
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01874	2.5
57.03452	2.3
58.00590	1.4
59.01377	100.0
60.01711	0.2
61.98819	0.7
69.03436	0.4
71.01379	58.0
71.42989	0.2
72.01741	0.2
72.99303	2.0
73.02945	7.0
75.00877	0.6
81.03449	0.3
82.95422	0.3
83.01385	4.2
84.02157	0.4
85.02949	15.2
87.00872	2.9
89.02443	59.0
90.02773	0.5
93.03493	0.2
95.01388	4.4
95.05024	0.8
96.96013	0.3
97.02949	0.6
99.00878	1.9
101.02441	37.4
103.03955	0.1
103.96497	0.2
107.03483	0.2
111.00903	0.8
113.02451	24.1
114.02767	0.3
114.68368	0.2
115.03996	0.2
116.92871	0.3
118.28609	0.2
119.03505	28.7
120.03820	0.2
121.02947	0.4
121.06575	0.2
125.02448	0.7
129.02002	0.4
131.03510	2.9
133.02971	0.6
135.04535	0.6
137.02383	0.2
139.04016	6.4
141.01915	0.2
143.03496	4.7
146.47296	0.2
148.05264	0.2
149.04549	2.5
149.05904	0.3
151.03947	0.2
159.02994	1.3
161.02606	1.0
161.04561	9.5
162.04771	0.2
165.05589	0.2
169.09966	0.2
179.05611	11.8
187.11154	0.2
189.09174	0.3
191.05627	0.3
193.46048	0.2
205.12326	0.2
213.05536	0.3
224.32178	0.2
249.11264	0.2
257.04614	1.4
294.09180	0.2
299.01694	0.2
323.07660	0.5
338.08194	0.3
341.10303	0.5
353.10046	0.5
353.19681	0.5
371.11258	0.6
371.20749	5.9
372.21396	0.2
419.09778	1.2
467.91187	0.2
533.26007	70.5
534.26373	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	534.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66895	0.2
59.01369	1.3
61.98823	1.3
66.13437	0.3
69.07730	1.7
71.01371	0.5
73.02993	0.3
76.53960	0.3
80.91683	0.4
82.95410	1.5
88.75323	0.3
89.02457	0.4
96.95963	0.3
98.22598	0.6
102.14093	0.2
116.92817	0.4
121.02956	4.8
135.04514	0.7
136.05298	6.6
151.07674	0.4
158.52274	0.2
160.84259	0.5
161.04420	0.4
173.04611	0.5
181.08716	0.6
183.63664	0.3
196.08928	2.9
213.09334	0.3
240.08005	0.7
241.08696	0.9
245.84869	0.3
255.10298	0.3
256.07346	0.3
257.08087	0.6
272.10541	9.7
287.12881	100.0
288.13229	2.9
352.98926	0.3
363.54758	0.3
431.17102	0.3
491.19080	1.3
514.41357	0.3
534.30023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34504	16.1
59.01378	20.0
70.13037	40.2
104.84307	16.7
122.67185	15.0
191.05569	81.6
192.05962	18.5
218.10184	24.7
262.23090	16.6
349.20444	15.2
363.75272	17.3
366.39682	17.6
410.48102	20.5
534.20117	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	534.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.8
71.12334	1.1
71.25292	0.6
78.95902	8.7
140.01169	2.3
141.75008	0.8
152.99580	0.8
173.14101	0.7
196.03789	1.6
214.04822	3.5
256.10620	0.9
257.07935	0.8
258.02145	0.8
279.23276	100.0
280.23730	1.9
337.19308	3.4
396.20319	0.8
476.27798	30.4
534.23706	18.6
534.29987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09618	0.5
50.79102	0.5
55.01877	0.9
57.03445	3.3
59.01377	37.1
60.01692	0.7
61.02987	0.6
68.84972	0.8
70.05373	1.0
70.05753	1.2
71.01380	19.3
72.99329	1.0
73.02941	5.5
73.51981	0.6
83.01373	2.6
85.02950	8.4
85.70513	0.6
87.00877	3.5
89.02441	21.4
91.43417	0.6
95.01357	1.9
99.00887	1.4
99.92653	0.6
100.93409	0.5
101.02442	18.3
111.00857	0.7
111.79749	0.6
113.02439	7.7
116.92902	1.1
119.03505	7.9
129.01927	0.6
131.03514	1.3
131.97314	0.6
134.37482	0.8
140.07851	0.6
159.03036	0.9
161.04575	1.4
163.03993	0.8
179.05573	1.4
189.18201	0.5
191.05568	0.9
206.15512	3.0
220.13332	0.6
250.14365	0.8
268.15533	6.5
306.13864	0.6
308.18582	1.1
313.86029	0.6
394.18616	0.9
430.20789	11.1
437.19208	0.7
452.22946	1.1
470.23865	6.7
516.24402	6.8
534.25555	100.0
535.25970	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	534.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	3.0
62.96439	1.1
69.21113	5.6
78.95894	24.4
98.22697	1.9
131.29608	1.2
140.01189	6.0
152.99593	1.7
196.03798	12.3
222.95337	1.4
255.23283	100.0
256.23599	2.1
360.06232	1.3
452.27750	58.3
453.27902	2.2
533.13318	1.1
534.26923	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	534.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41367	1.3
59.01356	2.0
61.98823	6.5
69.16130	1.3
69.25738	3.3
69.26130	3.5
71.01380	2.9
83.72417	1.2
84.00920	1.3
88.75509	1.5
92.83729	1.6
108.76152	1.5
123.00863	5.5
136.04008	1.5
137.02345	1.4
137.09618	1.3
138.03221	13.7
153.05551	11.3
162.96819	1.4
167.02209	3.1
175.46010	1.3
179.02200	6.1
180.03008	5.2
180.34395	1.4
181.03783	3.8
182.04532	3.4
194.04520	19.3
195.05453	1.6
196.06129	7.7
209.19052	2.8
223.04852	4.2
223.20616	1.8
224.05591	4.5
225.09196	1.5
226.09959	2.2
238.07202	14.8
300.25391	3.7
453.20667	12.3
472.24149	1.3
498.30701	100.0
499.30975	5.7
534.28290	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	534.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
61.98830	23.1
62.04700	3.0
63.99232	4.4
70.77868	5.3
78.95916	22.1
79.73245	3.9
101.02462	3.4
136.31854	3.3
142.13756	3.4
152.99576	15.1
196.89479	29.9
197.89478	11.9
253.09274	13.5
255.23283	100.0
279.23248	11.8
281.23792	8.1
320.60599	3.6
465.34311	3.6
534.16400	5.1
534.23462	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	534.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
59.02915	2.8
60.00836	2.5
61.98823	13.0
69.52981	12.0
78.95895	8.1
81.98324	2.7
83.91077	2.9
124.84143	2.6
149.64699	3.3
152.99577	8.0
196.28690	2.9
196.89474	8.2
197.89452	5.7
253.09296	11.3
255.23283	100.0
259.38321	3.3
279.23340	3.9
281.24258	3.4
458.39560	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	535.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36638	0.9
55.34903	0.7
59.01379	35.1
59.77974	0.7
61.98829	100.0
68.01417	4.6
71.01382	6.1
71.47985	0.8
73.02959	2.4
82.02990	1.0
83.01373	0.9
85.02971	4.6
85.47688	0.8
87.00845	1.1
89.02446	1.5
93.03467	3.9
99.00887	1.0
101.02443	4.1
108.02192	0.9
110.02497	4.2
113.02433	4.6
115.01723	0.9
119.05022	1.1
123.04505	1.0
125.06094	0.9
135.04567	1.1
136.01677	7.5
137.02498	2.0
139.03958	1.1
150.03265	1.3
151.04016	8.8
159.03000	0.9
161.04604	4.3
161.05830	0.9
163.04013	1.5
189.05598	1.2
191.05652	1.1
191.37032	0.9
193.05023	1.0
203.05624	5.6
203.07193	0.8
209.11743	1.0
223.06346	1.2
227.07167	6.4
230.06671	15.5
239.07121	6.0
250.08806	4.0
269.04791	1.0
280.07489	0.8
281.04489	1.6
281.08206	2.5
296.06805	2.6
311.09271	2.6
368.11420	1.5
399.14639	1.7
421.24854	1.1
475.17615	2.4
487.17874	2.5
491.28412	1.0
502.16406	1.7
505.18619	9.2
517.18665	18.5
535.30902	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	535.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.8
61.98829	100.0
68.01412	5.4
71.01377	7.8
73.02943	3.1
75.00896	0.8
83.01400	1.3
85.02946	3.4
89.02465	1.9
93.03465	3.6
99.00877	0.7
101.02443	4.6
108.02183	0.6
110.02487	4.6
113.02478	2.7
117.79834	0.6
119.03506	1.1
123.04551	0.8
127.04036	0.7
131.10928	0.7
136.01697	2.3
151.04007	2.3
161.04565	2.7
163.07806	0.6
169.06627	1.4
173.04491	1.2
177.05742	0.7
188.05714	1.4
189.44162	0.6
191.05569	1.1
203.05600	5.4
207.00566	0.6
223.06386	1.8
227.07120	7.5
230.06685	15.3
239.07149	7.4
250.08737	2.6
281.08197	2.1
296.06937	1.2
368.11639	2.3
399.14755	1.1
421.24487	1.8
434.02411	0.7
464.33539	0.7
475.18463	0.8
487.17313	0.7
491.28613	1.5
505.18875	4.0
517.18524	6.4
534.33032	2.9
535.23920	1.3
535.31372	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	535.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31246	0.7
59.01380	3.6
71.01369	2.8
73.02939	1.0
85.02959	1.7
87.00861	0.9
89.02446	1.3
89.26716	1.0
101.02422	1.8
108.02168	34.4
108.02911	1.8
113.02446	1.2
119.01373	1.6
119.03493	0.8
120.01192	1.2
122.03747	0.8
123.04528	14.8
134.03804	0.8
135.04500	1.0
147.00819	1.7
149.02449	6.4
150.03220	1.9
151.00374	1.3
152.01152	68.7
153.01746	1.3
164.04787	6.5
165.01938	1.1
166.02663	4.3
167.03490	100.0
168.03871	0.8
175.00352	13.9
176.01169	4.2
179.07104	1.8
181.05092	2.9
187.09625	1.0
190.02713	31.7
191.03499	6.4
193.01398	1.3
203.76804	0.8
205.05045	32.6
206.05699	0.9
208.03662	1.0
209.04512	2.3
223.06093	7.6
251.05597	1.2
299.53363	0.8
301.09619	1.0
332.69705	0.8
353.04318	1.1
353.08746	16.6
367.10309	54.1
368.10425	1.9
374.98587	0.8
535.14337	8.0
535.30688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93369	0.3
57.99612	0.2
59.01377	60.9
61.98826	1.6
64.59413	0.3
70.79924	0.3
71.01385	1.1
73.02943	0.6
74.87533	0.2
85.02939	0.5
87.00898	0.3
89.02456	0.3
93.03439	0.7
95.01374	0.3
96.74651	0.2
101.02468	0.8
106.65292	0.3
107.05003	0.3
113.02455	0.5
114.76364	0.3
120.01299	0.3
123.04523	5.5
137.02443	0.4
139.04016	1.2
157.77472	0.3
161.04527	0.3
173.04582	0.4
191.05550	0.3
197.06029	2.5
213.05629	0.3
239.07086	1.7
240.04285	5.7
241.05013	3.0
250.08627	0.5
255.06609	20.0
256.07333	3.9
270.08746	0.3
271.09741	100.0
272.10181	2.2
289.10785	5.3
289.13834	0.5
296.33875	0.3
331.11853	2.3
332.66278	0.3
381.54877	0.3
421.24524	0.4
475.15997	1.2
535.17957	0.7
535.31659	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	535.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
57.82857	1.7
59.01376	52.6
61.98823	4.7
63.36927	1.6
69.29694	7.6
71.01376	20.8
72.09589	1.6
73.02944	40.0
83.01389	7.5
85.02956	5.2
87.00858	2.7
88.77103	1.5
89.02445	9.7
92.55468	1.5
93.03479	4.2
96.96051	3.4
101.02445	24.7
103.01495	2.9
111.04465	2.2
111.79531	1.6
113.02453	5.0
116.92941	1.9
119.03493	3.5
121.02926	2.3
123.04524	2.2
131.03456	2.0
133.02972	7.3
135.04591	2.7
137.02489	3.2
137.06102	2.0
149.02466	1.9
149.04613	2.0
149.06058	1.9
155.03493	3.3
161.02435	26.9
161.04593	5.0
163.04004	13.9
164.04802	1.8
173.04552	7.6
179.03458	2.3
179.05594	2.4
179.07120	4.4
190.02773	2.6
191.05588	2.8
193.05035	2.4
194.05429	1.9
205.05078	2.9
205.08685	3.4
213.09142	3.5
226.09982	14.4
227.10768	3.5
251.10800	7.8
254.09483	40.1
255.09882	2.0
269.11819	100.0
270.12234	2.2
373.11923	2.7
389.75143	1.8
393.64249	1.7
449.18341	2.4
475.29047	3.7
476.16965	3.6
491.19147	23.2
523.30170	1.7
535.30859	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	535.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
57.82857	1.7
59.01376	52.6
61.98823	4.7
63.36927	1.6
69.29694	7.6
71.01376	20.8
72.09589	1.6
73.02944	40.0
83.01389	7.5
85.02956	5.2
87.00858	2.7
88.77103	1.5
89.02445	9.7
92.55468	1.5
93.03479	4.2
96.96051	3.4
101.02445	24.7
103.01495	2.9
111.04465	2.2
111.79531	1.6
113.02453	5.0
116.92941	1.9
119.03493	3.5
121.02926	2.3
123.04524	2.2
131.03456	2.0
133.02972	7.3
135.04591	2.7
137.02489	3.2
137.06102	2.0
149.02466	1.9
149.04613	2.0
149.06058	1.9
155.03493	3.3
161.02435	26.9
161.04593	5.0
163.04004	13.9
164.04802	1.8
173.04552	7.6
179.03458	2.3
179.05594	2.4
179.07120	4.4
190.02773	2.6
191.05588	2.8
193.05035	2.4
194.05429	1.9
205.05078	2.9
205.08685	3.4
213.09142	3.5
226.09982	14.4
227.10768	3.5
251.10800	7.8
254.09483	40.1
255.09882	2.0
269.11819	100.0
270.12234	2.2
373.11923	2.7
389.75143	1.8
393.64249	1.7
449.18341	2.4
475.29047	3.7
476.16965	3.6
491.19147	23.2
523.30170	1.7
535.30859	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	535.1818
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
52.91191	0.6
53.41925	0.6
59.01378	43.3
61.98821	9.0
67.01885	1.7
71.01379	22.1
73.02966	3.4
82.95435	3.5
83.01392	2.2
83.05042	0.7
85.02959	7.2
86.03322	0.6
87.00867	1.1
89.02444	14.3
93.03445	1.4
95.01385	2.6
96.95995	1.9
100.12907	0.7
101.02437	15.9
102.98595	1.0
106.04227	2.5
108.02180	5.7
109.02929	2.1
111.00861	1.1
113.02444	9.4
119.03527	6.3
120.01262	4.6
121.02939	1.4
123.00924	6.2
123.04515	3.1
124.01638	1.9
125.02431	0.7
134.03723	0.8
135.04547	1.1
136.01657	21.9
137.02458	1.2
141.61285	0.7
143.03526	1.5
143.04919	1.2
145.06615	1.2
146.03680	0.8
147.04457	0.8
149.02374	0.8
150.03224	1.6
151.04007	29.8
151.05231	1.7
152.01099	1.4
159.03209	0.7
159.04491	3.7
160.05286	7.5
161.02431	0.7
161.04550	4.3
161.09705	5.2
164.04845	0.7
165.05565	1.2
171.04543	0.9
173.04530	1.4
173.05977	0.8
175.07655	8.7
179.03340	0.8
179.05566	2.0
179.07050	1.3
185.02457	2.3
186.03200	1.4
187.04022	6.5
188.04768	15.4
189.05466	1.6
191.05586	4.9
192.05968	1.0
201.05545	1.0
203.07138	22.7
203.09041	1.2
205.05411	0.7
205.08682	17.1
205.12299	0.8
206.09024	0.8
239.07022	1.1
253.08801	0.9
267.06631	0.9
275.07159	0.7
276.64328	0.7
277.04971	1.7
279.06625	1.5
281.08109	1.0
287.03824	1.1
287.13101	0.7
291.06558	1.3
293.08295	1.4
294.08966	1.0
295.06174	2.7
307.06085	2.2
309.07718	1.3
310.08426	7.4
313.10785	1.0
322.08289	1.4
325.07217	0.9
325.10797	24.4
326.11057	1.3
337.10883	5.5
337.18536	1.2
340.09354	0.9
355.11856	13.7
369.18695	0.9
373.12790	1.3
373.22220	2.1
413.07135	0.7
497.31140	1.1
499.19434	1.0
499.29749	0.7
535.18237	100.0
535.27472	8.0
536.18500	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	535.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23928	0.5
52.35466	0.5
52.71286	0.5
55.01846	0.5
59.01379	31.1
61.98816	1.6
68.45552	0.5
71.01012	1.1
71.01378	14.0
72.99284	1.0
73.02940	2.1
78.18648	0.5
83.01367	1.4
85.02963	3.7
87.00861	0.6
88.98840	0.6
89.02445	13.8
90.02796	0.7
95.01377	1.5
96.96001	2.1
99.00873	1.1
99.92574	1.8
100.93363	1.4
101.02442	11.3
104.05056	2.5
106.06622	2.0
108.04568	3.6
113.02438	5.9
115.92065	1.8
116.44155	0.5
116.92098	0.7
116.92867	10.6
119.03498	4.3
121.02894	0.6
122.06084	0.9
122.40628	0.6
125.02454	0.9
131.03503	1.3
132.04559	31.9
134.06120	19.5
136.48628	0.5
137.02487	0.7
144.04527	1.3
145.80139	0.6
147.03116	0.6
148.04027	1.0
149.04514	0.9
152.07150	1.7
155.03525	1.2
158.06081	2.7
160.04053	0.8
161.04597	1.4
176.03519	7.1
178.19745	0.6
179.05551	1.3
188.03511	2.1
191.05589	1.7
208.06046	0.6
246.66675	0.6
251.11864	5.6
255.11401	1.9
269.12991	0.7
279.11356	15.0
282.15924	0.6
295.10809	3.6
300.02621	0.6
314.12314	1.9
323.10361	9.1
381.05386	0.8
421.21259	0.7
435.17740	5.1
454.08432	1.6
459.17709	15.3
460.18066	0.7
475.17200	2.7
491.12064	0.8
503.16721	100.0
504.17258	4.0
517.18365	0.8
522.19470	0.7
535.10962	1.0
535.18793	14.9
536.19220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33420	0.4
55.01870	1.0
57.03433	1.0
59.01377	59.3
60.01699	0.8
61.98819	2.2
68.99823	0.9
70.05394	1.1
71.01378	26.2
72.99325	0.7
73.02936	3.3
83.01398	2.3
85.02950	5.7
87.00875	1.1
89.02441	27.3
95.01365	1.9
96.95980	0.5
101.02442	17.3
104.05058	2.7
106.06638	2.5
108.04572	3.3
113.02446	10.9
113.03231	0.6
116.92848	1.5
119.03503	10.1
122.06106	0.9
131.03548	1.3
132.04549	34.7
134.06117	24.3
135.06435	0.6
139.04010	1.4
143.03456	1.6
144.04535	1.2
145.26392	0.5
148.04030	1.8
149.04556	1.3
150.05551	0.5
152.07178	2.6
158.02480	1.1
158.06110	3.5
160.03952	1.7
161.04607	2.7
176.03503	8.0
179.05597	3.1
188.03522	2.3
190.05072	4.5
191.05545	0.8
202.05051	1.0
223.06007	0.6
227.11806	0.5
251.11925	5.4
255.11371	1.6
267.11380	0.7
279.11356	16.6
284.90186	0.5
295.10736	3.5
297.12329	1.0
313.11133	0.8
314.12515	2.9
323.10361	9.7
337.11807	0.8
373.12741	0.9
431.18127	1.0
435.17697	5.3
459.17731	16.3
460.18341	1.0
475.16531	3.3
493.22589	1.3
503.16696	100.0
504.17029	3.9
517.18280	7.7
535.19269	13.3
535.27502	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	535.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.6
61.98816	3.0
63.25537	1.1
70.64548	0.9
70.79575	1.3
70.88087	1.0
71.01380	1.6
82.95414	1.2
83.98477	1.0
84.18092	0.9
98.86969	1.0
108.02155	8.2
109.02930	3.7
121.02940	3.6
123.04522	6.7
128.94922	1.0
133.02913	1.0
134.03760	1.2
135.04509	4.3
136.01653	51.9
136.05316	2.2
137.02457	7.9
145.03003	2.7
146.03723	1.9
147.04492	1.9
149.02426	3.8
150.03253	6.5
150.06891	2.0
151.04004	50.6
158.03712	1.2
159.04524	3.1
160.05260	2.0
161.02449	1.2
161.06091	2.7
162.03224	2.0
163.04004	4.0
164.04735	1.8
165.05569	2.5
172.05260	2.3
173.06068	3.6
175.03990	4.5
176.04778	2.5
177.05548	2.8
178.02663	1.3
187.03960	1.9
189.05519	6.6
190.06331	4.2
191.05591	1.2
191.07158	3.0
193.05054	3.6
205.08713	1.8
209.05998	1.4
238.06204	1.6
240.04222	1.1
241.05013	1.3
245.23822	1.0
245.84732	1.2
250.06258	1.6
253.05052	4.0
254.05849	1.3
265.05011	1.6
266.05826	2.6
268.07462	1.5
269.04572	6.2
271.13382	8.9
278.05807	1.3
279.06573	3.3
280.07303	4.8
281.04517	13.2
281.08148	4.4
282.08792	1.5
284.06842	4.6
285.07761	1.3
293.08154	3.2
295.09598	2.8
296.06970	14.1
296.10297	1.7
299.09387	5.5
306.08847	1.1
307.09732	1.1
309.07727	1.9
310.08398	1.5
310.11813	1.8
311.09274	11.7
313.10941	1.2
315.12421	1.5
316.07855	1.5
321.07596	3.4
323.09250	3.5
324.10028	4.5
330.14557	1.3
331.09937	2.4
336.09778	2.2
339.12405	4.9
351.12396	2.4
355.11685	3.0
356.12503	2.9
368.12466	1.7
369.13327	2.0
384.12277	1.7
388.11740	1.3
399.14447	11.4
415.12201	1.2
427.11737	2.8
430.14194	1.9
439.11642	1.5
442.14279	3.3
446.16910	1.4
457.17148	1.1
459.14471	1.7
460.15128	1.2
469.16635	1.4
472.15457	1.4
475.18134	17.2
487.17416	15.4
490.16010	2.2
501.15442	1.1
502.16132	10.4
505.18658	58.3
506.18607	2.1
517.18646	100.0
518.18927	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	535.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39734	1.0
51.20929	1.1
55.01887	1.2
58.00590	1.5
58.37329	0.9
59.01381	65.3
61.98835	1.8
69.03457	7.5
69.79266	2.7
71.01383	59.4
72.99316	1.9
73.02952	11.1
75.00871	2.5
76.00153	0.9
79.01855	1.1
81.03448	4.0
83.01390	4.9
83.76666	1.0
85.02961	7.2
87.00883	1.2
88.36448	1.1
89.02449	84.9
95.01429	1.6
97.02956	11.9
99.00886	16.5
99.04523	2.1
101.02447	14.4
108.93726	1.7
111.00890	1.9
113.02460	7.0
115.04028	9.2
119.03512	1.9
120.59589	0.9
125.02454	40.9
127.04008	1.7
131.03506	10.7
133.65723	0.9
135.04491	2.2
136.05350	0.9
143.03482	4.0
149.04562	13.5
149.05731	1.8
150.06874	19.4
161.04533	1.5
165.01965	1.2
173.04620	1.1
180.04260	1.6
191.05646	8.2
195.06612	1.9
216.20993	0.8
226.09969	1.3
233.06662	36.5
239.10722	1.3
241.12343	100.0
242.12645	2.2
264.53839	0.9
293.08789	41.0
407.10040	0.8
430.98224	1.7
527.05487	1.0
535.21832	74.5
536.22296	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	535.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16928	0.1
53.25869	0.2
55.01868	1.0
57.03439	1.0
58.00586	1.5
59.01377	100.0
60.01704	0.4
61.98829	1.1
69.03448	0.1
69.71669	0.5
71.01379	52.0
72.01704	0.2
72.99294	1.6
73.02938	2.1
75.00847	0.3
81.03436	0.2
83.01389	2.3
85.02948	9.1
87.00877	2.4
89.02441	70.1
90.02740	0.3
95.01381	3.7
97.02929	0.4
98.21938	0.2
99.00876	0.5
99.04529	0.2
101.02440	29.5
107.03545	0.2
113.02447	21.6
114.02786	0.2
115.04020	0.3
116.92839	0.8
119.03498	29.6
120.03820	0.2
125.02432	0.8
131.03506	3.5
139.03972	0.2
143.03502	5.3
149.04552	2.7
159.02957	0.2
161.04549	6.0
179.05606	13.9
191.70946	0.2
349.35214	0.2
355.21109	1.1
373.22195	0.3
535.27576	40.2
536.27881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
57.03433	5.2
59.01379	100.0
61.98824	6.2
66.46564	1.4
69.03444	2.7
69.27718	6.2
71.01014	2.4
71.01379	34.3
73.02941	13.4
81.03469	2.1
83.01379	6.1
85.02953	20.2
86.00120	2.0
87.00887	8.1
89.02440	13.7
93.03459	4.2
95.01413	3.7
95.05028	3.0
99.00872	4.0
101.02444	21.7
111.00857	2.1
113.02458	16.1
113.06103	1.7
119.03520	7.2
119.05038	2.1
125.02438	1.6
127.11252	1.4
135.04553	2.5
137.02428	2.4
139.04001	26.3
153.09088	1.6
159.03044	1.8
161.04552	5.2
163.03865	1.5
171.10274	6.4
173.04559	2.7
185.02225	1.4
191.05638	10.1
197.93301	1.5
201.03978	5.6
203.50563	1.5
212.85522	1.6
269.21115	5.7
277.21710	1.5
287.22296	36.7
299.22192	1.9
303.14566	2.7
331.24850	2.3
363.20181	5.6
421.24777	2.5
431.26593	15.4
449.27515	36.5
457.27911	2.8
475.28949	3.4
491.28601	81.6
492.28860	3.1
493.29999	2.2
517.30310	1.9
535.31213	91.6
536.31171	2.3
536.67712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60162	0.1
59.01373	0.7
62.35517	0.1
66.95912	1.7
71.01385	0.4
73.02946	0.3
80.91677	1.0
82.95411	100.0
83.02511	1.1
89.02455	0.2
115.92094	0.1
119.88011	0.1
127.05009	0.1
128.03609	0.2
151.03964	0.2
153.05565	0.3
191.05583	0.5
259.09933	0.2
268.08716	0.1
269.13901	0.2
287.15033	1.0
329.13892	0.2
449.33737	0.1
457.23361	0.2
491.21341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3277
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
54.70182	1.1
59.01373	2.5
61.98805	2.8
69.17953	2.6
69.18364	5.1
69.43249	1.2
78.95847	1.3
81.82263	1.4
95.04939	1.2
105.03467	8.6
123.04560	1.4
132.02151	5.5
133.02957	40.1
134.03731	8.4
135.04523	3.2
137.02469	2.1
148.05260	2.7
149.06076	2.0
160.01665	20.9
161.02438	18.1
161.06078	4.1
162.03099	1.5
175.03999	67.0
177.01944	3.5
178.02699	3.2
179.03461	3.1
179.87404	1.1
193.05048	5.8
279.23322	2.5
280.23642	1.4
285.24368	8.4
289.14612	1.9
317.17764	1.5
359.22122	2.2
375.29031	2.8
429.26462	8.0
443.28064	23.2
447.27795	3.9
461.29105	31.4
462.29407	1.7
520.30524	4.4
535.32745	100.0
536.33154	5.0
560.42670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03440	0.9
59.01378	100.0
61.98834	5.3
69.61872	2.5
71.00034	0.6
71.01385	16.8
73.02948	16.4
78.91897	1.1
82.95417	3.5
83.01389	3.7
84.95071	1.0
85.02941	5.1
87.00880	1.3
89.02437	8.4
91.66699	0.6
93.03439	0.6
95.01402	2.1
97.02953	3.1
99.92609	0.8
101.02440	12.4
109.02932	0.9
111.04530	2.4
113.02450	9.6
116.92875	0.7
119.03543	2.2
120.08254	1.3
121.06580	0.7
123.04526	2.1
125.02451	1.5
125.06103	1.9
131.03636	0.9
135.04544	0.7
137.06131	0.8
141.01808	0.7
143.03458	1.1
149.06049	0.7
155.03523	1.6
161.02473	1.2
161.04585	2.8
162.83907	0.9
164.07100	1.0
173.04654	1.2
173.16554	0.6
179.03510	1.2
179.05621	0.9
191.05679	1.4
226.06326	1.2
226.16043	1.4
241.08835	0.9
242.09160	0.8
270.15088	2.8
288.15994	0.8
314.13849	4.8
332.15103	3.3
379.83188	0.6
432.20578	1.1
476.19235	41.6
477.19064	0.9
494.20340	13.1
536.21301	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	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13626	0.6
59.01381	11.0
60.99016	1.2
60.99305	16.1
61.50600	0.7
61.81311	0.8
61.98813	2.5
69.03456	1.3
69.13348	4.6
71.01385	4.1
73.02959	0.7
81.54411	0.7
82.95410	3.2
83.01385	1.4
84.95113	1.4
85.02938	1.5
87.00862	1.0
87.47853	0.7
88.98807	90.5
89.02456	4.0
101.02435	3.1
107.01454	0.8
109.77097	0.7
113.02452	4.5
114.02707	0.7
116.92849	0.8
119.03484	2.1
133.02927	3.6
135.04520	1.5
137.54860	0.8
141.30579	0.8
149.02441	1.3
151.00357	2.5
161.02473	8.5
161.04576	1.1
175.04082	1.4
179.05591	1.7
191.05617	2.2
256.03793	1.9
263.66403	0.9
284.03253	36.2
285.04031	75.6
286.04495	1.4
327.12296	0.8
363.20712	0.8
447.09302	100.0
448.09448	4.3
477.23822	0.9
537.15857	7.3
537.23859	1.4
537.32745	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1247
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01850	0.7
57.35555	0.5
59.01115	0.7
59.01381	9.2
67.05884	0.5
69.03465	3.2
71.01382	5.2
73.02943	1.3
79.01888	0.7
81.03460	1.2
82.84075	0.5
83.01375	1.7
85.02947	1.4
87.00871	0.9
89.02436	4.1
93.03440	1.7
95.01381	2.4
97.02937	3.3
99.00866	0.9
101.02415	2.2
104.28085	0.6
107.01364	0.9
108.02178	1.5
109.02951	2.6
111.04486	0.9
113.02452	1.1
113.06075	1.3
119.03500	1.1
121.02927	1.9
123.00887	6.9
124.01658	18.8
125.02448	44.3
127.04164	0.5
136.01625	0.6
137.02480	3.7
137.06097	3.2
143.04741	0.6
147.04564	0.7
149.02408	5.8
149.99586	35.1
151.00334	2.5
153.01942	1.3
156.25032	0.6
157.05069	0.8
161.02368	1.1
163.03996	0.7
164.04785	5.9
165.05504	0.8
166.99869	0.9
167.03488	1.4
168.00639	62.6
169.01418	4.6
173.04517	2.6
173.91861	0.5
175.00343	1.7
179.07144	0.7
182.70763	0.6
190.02695	8.0
191.03487	0.8
191.05602	2.2
193.01344	0.7
205.05025	8.2
213.09216	0.8
223.06116	3.7
233.06619	1.1
243.10204	1.8
287.07391	0.7
288.07721	0.7
293.08685	2.0
313.05716	4.6
313.09052	1.0
331.06662	14.7
331.10599	1.2
367.10486	0.9
379.10156	0.8
415.22821	0.6
429.10223	1.2
450.13187	2.0
519.11304	2.0
537.12463	100.0
538.12836	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.6
61.98825	7.5
70.78781	5.6
71.01373	13.4
73.02951	3.9
78.95951	3.7
82.95442	2.6
93.03502	3.7
95.05099	3.0
95.38029	2.6
96.96008	100.0
101.02411	3.5
113.02456	7.3
114.93398	6.9
117.32584	3.2
118.96639	12.7
126.00163	2.5
129.42247	2.8
132.98219	7.8
139.03986	9.1
156.98157	5.7
160.97693	8.2
191.05582	3.4
217.00330	12.5
225.61613	3.1
229.00389	5.1
255.10292	3.5
274.20755	2.5
283.19193	4.1
301.20389	3.4
463.25836	7.1
471.94162	2.8
500.61343	2.6
537.28278	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03444	0.4
59.01379	9.5
60.01716	0.3
61.98819	0.7
67.05522	1.1
68.99809	1.1
69.03449	0.6
69.43681	1.1
71.01376	5.0
71.01740	0.4
73.02941	1.5
79.04258	0.2
81.03463	1.0
85.02948	1.1
87.00895	0.4
88.67635	0.3
89.02444	4.7
93.03446	1.0
95.05026	8.9
99.00868	0.4
101.02435	3.2
108.02155	0.4
109.02923	0.4
112.87770	0.2
113.02457	2.2
113.06130	0.5
117.01937	1.0
119.03510	2.5
121.02953	0.9
122.03711	0.7
123.04525	8.3
124.01694	0.6
125.02435	0.3
131.03516	0.5
139.04010	100.0
139.29901	0.3
140.04341	1.2
143.03537	0.5
143.56047	0.2
151.04106	0.3
161.04568	0.9
173.04532	0.3
179.05597	4.8
191.05615	1.7
201.04131	0.5
221.06654	0.6
271.09714	0.6
272.10553	0.4
273.11282	0.8
289.10782	6.0
324.42764	0.3
351.20245	0.4
363.09280	1.4
393.21414	1.3
477.23502	1.1
493.17471	0.3
517.46100	0.3
537.19775	0.6
537.32635	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	537.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47594	0.9
61.98825	1.9
68.99824	7.1
70.88939	1.6
75.71871	1.1
98.21846	1.1
109.02922	1.8
121.02956	100.0
123.00856	5.4
125.02448	3.8
137.02443	2.9
138.03230	10.9
148.01656	1.2
149.02422	1.4
153.01965	6.7
153.05585	16.7
155.03412	1.1
159.17381	1.2
162.03204	1.3
163.00348	1.6
165.01920	7.3
168.04265	13.4
175.00369	4.9
176.01157	14.3
177.01932	8.4
178.02692	6.4
191.03491	11.3
192.04283	15.9
193.01421	13.1
193.05054	6.4
195.06752	1.5
207.04855	1.9
207.06650	22.7
208.03751	21.2
208.21327	1.3
209.04568	2.1
223.06111	50.9
224.06863	12.6
238.04782	2.2
260.23254	1.2
327.11508	1.3
383.11328	2.7
385.12799	1.9
415.13800	2.4
522.18890	1.3
537.17401	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	537.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
59.01381	78.1
69.03452	6.3
69.89864	4.6
69.90201	1.9
71.01382	66.8
72.64669	2.1
73.02961	10.0
75.00878	3.3
77.65510	2.0
81.03449	4.3
83.01384	4.2
85.02954	7.0
89.02444	90.6
95.01418	1.7
97.02953	11.9
97.75694	1.7
99.00895	13.9
99.04480	1.9
101.02436	14.3
113.02454	6.4
115.04015	7.8
118.50697	1.7
125.02445	45.1
125.03312	3.5
131.03513	10.0
143.03522	4.1
149.04562	17.8
151.04016	1.9
153.01926	27.5
161.04536	3.0
168.04282	21.0
191.05666	10.1
215.73402	1.7
233.06631	33.5
257.06619	1.7
267.06595	4.2
282.08908	3.7
287.94003	1.9
293.08792	100.0
297.11270	4.4
345.13345	5.2
477.15997	6.9
562.23035	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	537.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98825	6.4
64.21014	2.0
69.28164	11.7
71.01394	20.3
73.02945	50.3
78.95892	2.8
83.01398	11.5
85.02949	6.4
87.00885	4.2
89.02448	8.1
91.05531	2.9
93.03475	3.9
98.28235	2.0
99.04470	2.7
101.02445	33.9
109.40842	2.3
113.02437	11.7
119.03515	3.0
131.03445	3.7
137.02420	5.9
137.06148	2.8
149.04530	4.3
152.53140	2.5
161.02428	6.6
161.04568	10.9
161.05779	2.3
165.05602	3.9
173.04546	2.4
178.37570	2.6
211.11368	3.5
215.10791	4.5
227.10841	3.0
229.12285	4.2
253.12265	7.3
271.13315	18.9
272.13516	2.8
289.14505	23.7
433.18832	4.9
451.19412	10.6
493.20728	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16858	0.6
58.28474	0.8
59.01377	6.8
69.50575	0.7
69.50918	2.4
71.01382	3.1
73.02951	0.7
73.14561	0.6
85.02941	0.9
89.02447	3.6
93.03456	1.7
94.51466	0.6
97.02939	1.4
98.22623	1.3
101.02445	2.3
109.02944	15.9
111.04524	0.8
113.02440	2.0
115.03979	0.9
119.03507	1.1
120.01247	1.4
121.02962	5.4
128.03520	1.0
135.04451	0.7
136.01654	21.7
137.02440	1.1
139.04004	7.2
145.02892	1.3
147.04506	1.2
151.03999	28.8
159.04520	1.2
160.05302	2.1
161.06050	0.9
163.03983	0.7
167.68993	0.6
168.10303	0.7
175.07619	1.9
178.06335	0.7
179.05556	0.8
184.55534	0.6
191.05576	2.8
239.07089	3.8
249.05621	1.0
250.06297	1.3
266.05826	0.8
267.06592	42.5
268.06802	0.8
282.08954	43.1
283.09171	1.0
294.08929	0.7
297.11298	100.0
298.11591	1.8
315.12317	7.0
327.12296	1.9
342.10992	1.5
345.13400	63.0
346.13779	1.7
357.13385	15.3
369.07928	0.7
375.14490	14.4
375.20184	2.2
407.19284	0.7
423.12933	3.8
450.18314	1.2
477.20822	0.8
537.13690	0.9
537.25122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
59.01377	23.1
59.76546	0.8
63.70485	0.6
67.05539	1.0
68.99827	1.0
70.46462	1.1
70.51433	0.7
71.01373	7.1
71.62281	0.6
73.02947	8.5
81.03476	1.2
83.01393	2.3
83.43959	0.7
85.02946	1.9
86.03337	0.7
87.00860	1.8
89.02443	4.6
92.33478	0.8
93.03422	1.1
93.53791	0.7
95.05025	8.4
101.02443	8.4
112.80972	0.8
113.02449	3.5
119.03502	2.5
139.04010	100.0
140.04337	1.1
149.04549	1.2
161.04559	2.8
165.05484	0.8
173.06081	1.2
179.05600	4.6
191.05676	1.9
201.05510	3.7
217.07173	0.7
230.17802	0.7
261.07669	2.5
262.27985	0.7
271.13370	2.5
273.11295	1.7
311.97766	0.8
363.09369	2.2
363.20508	0.8
394.15936	0.9
407.90866	0.9
537.33441	5.3
557.04633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.4
57.03439	2.2
59.01378	94.9
66.15411	1.1
66.42654	1.1
69.68404	1.2
71.01381	64.9
72.99313	2.8
73.02950	6.5
74.80731	1.5
75.00859	3.5
83.01386	4.1
85.02947	18.2
87.00874	5.6
89.02444	78.9
93.03457	5.0
95.01385	4.0
96.96032	1.9
97.02943	1.3
99.00880	2.7
101.02444	36.0
108.02180	2.9
109.02957	4.2
111.04540	1.9
113.01704	1.9
113.02456	25.8
119.03502	31.3
120.75762	1.3
121.02969	5.8
122.03748	9.8
123.00839	2.2
125.02432	4.2
131.03519	6.0
134.03745	1.6
135.04564	1.8
136.01663	58.6
137.02222	1.5
137.06087	2.9
143.03500	6.6
146.03745	1.9
147.04507	1.6
149.02441	31.8
149.04546	3.9
150.03215	54.5
151.04007	100.0
152.04369	2.0
153.05539	8.1
159.04524	3.2
160.05298	9.8
161.02467	3.0
161.04555	14.4
161.05844	2.1
164.04822	10.5
165.05569	54.9
173.04543	4.3
175.07639	9.3
176.04765	1.4
179.05611	25.0
179.07089	2.0
180.04288	2.3
183.10272	5.2
191.05598	9.3
191.07162	1.7
191.80728	1.3
195.06628	28.8
228.75925	1.5
233.06418	1.5
250.06178	2.2
251.07196	2.4
263.07126	3.9
278.09506	2.8
279.06619	7.1
283.09744	2.4
287.09134	1.8
289.10809	5.6
293.08582	5.4
294.09015	6.2
297.11197	3.6
309.11230	7.3
312.10086	13.7
327.12341	90.3
328.12564	2.5
339.12250	9.6
345.13193	1.5
375.14618	2.5
489.17798	7.1
507.19128	1.9
537.19824	21.6
537.27332	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94975	0.3
57.03452	0.3
58.62679	0.3
59.01380	2.7
60.77571	0.3
61.98817	0.7
66.46240	0.3
70.78095	0.5
71.01374	2.5
73.02928	1.0
73.72452	0.3
73.92676	0.3
78.62177	0.3
83.01377	0.3
85.02937	1.2
87.00860	0.4
88.98808	0.4
89.02443	2.5
89.74658	0.4
93.03442	1.6
95.01350	0.4
95.04994	0.6
98.47396	0.4
99.00887	0.3
99.49467	0.3
101.02421	1.9
109.02946	3.4
113.02454	1.1
114.55099	0.3
119.03472	0.6
121.02955	6.8
122.03737	6.5
123.04530	0.8
127.05119	0.4
129.71689	0.3
132.02182	0.5
133.02940	0.9
135.04517	0.4
136.01648	4.0
137.02365	0.3
145.02928	0.8
146.03732	6.4
147.04536	1.3
149.02434	50.6
150.03220	45.1
151.04012	5.8
153.05573	0.5
161.04588	0.9
161.06068	2.3
163.04028	0.6
164.04793	15.7
165.05560	52.5
166.05855	0.7
175.04015	1.5
176.04762	1.2
179.07123	12.2
180.04269	3.8
189.05576	1.4
190.06340	1.1
191.05731	1.9
191.07156	1.7
195.06615	44.6
196.07065	0.4
239.07056	0.5
250.06349	0.3
251.07181	1.0
252.07915	0.3
261.05829	0.4
262.06366	0.4
263.06927	0.4
264.07849	0.5
266.05557	0.5
267.06586	4.0
268.07486	0.9
269.08182	0.6
271.04037	0.3
278.05844	0.4
279.06613	2.2
280.07419	0.9
281.08258	0.8
282.08926	3.0
283.09656	2.2
293.08514	0.6
294.09027	2.0
297.07684	2.4
297.11316	6.3
309.11197	0.3
312.10013	25.5
313.10089	0.4
315.12347	0.7
327.12357	100.0
328.12720	3.0
339.12183	0.6
345.13351	5.3
357.13394	7.0
364.35065	0.3
375.14447	7.7
437.82092	0.3
477.19733	6.3
519.15137	0.5
537.17615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
61.98811	0.5
65.62960	0.6
70.78384	0.7
71.01381	7.1
73.02934	0.6
74.02473	0.8
75.79137	0.6
78.74886	0.5
85.02932	2.5
89.02448	6.8
93.03439	1.4
99.92624	0.5
101.02439	4.0
108.02174	1.3
109.02943	13.4
113.02490	2.6
116.92822	0.7
119.03507	3.5
120.01273	0.6
121.02934	3.1
122.03741	5.3
123.00858	0.6
123.04574	1.3
135.04518	0.7
136.01659	9.2
137.02524	0.7
145.02962	0.9
146.03729	6.0
147.04509	2.2
149.02417	7.5
150.03227	28.9
151.03996	15.3
152.11259	0.6
153.05614	1.3
158.03720	0.8
159.04533	1.5
160.05254	1.3
161.04794	0.9
161.05997	2.9
163.03966	0.7
164.04764	4.9
165.05569	35.7
171.04425	0.9
172.05310	1.7
173.04588	1.0
173.06018	0.9
175.04001	5.8
176.04797	5.2
179.05653	1.0
179.07111	6.7
180.04309	2.0
187.03996	1.2
188.04840	0.7
189.05598	4.2
190.06378	3.3
191.05573	4.5
191.07153	8.2
195.06621	31.2
196.06888	0.6
221.94130	0.6
228.04340	1.0
229.05104	1.0
233.06194	0.6
239.07141	1.5
242.05861	1.8
244.07387	0.7
251.07124	2.9
257.08154	2.8
261.05640	1.1
266.05823	2.1
266.09589	0.6
267.06619	15.4
268.07306	0.9
270.81387	0.7
278.05811	1.4
279.06613	8.8
281.08130	2.0
282.08939	10.5
283.09341	0.7
293.08292	2.1
294.08969	5.4
296.10489	2.0
297.07727	3.6
297.11249	30.4
309.11365	1.5
311.09363	0.8
312.09991	15.7
313.10526	1.0
315.12411	2.9
322.38748	0.6
327.12360	100.0
328.12717	2.1
345.13394	16.0
357.13425	27.5
375.14447	16.5
537.18988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.1
61.98817	4.8
69.42918	4.5
69.43314	2.7
71.01382	18.3
71.37965	1.2
73.02941	3.1
76.35252	1.2
85.02945	4.9
89.02442	21.1
97.02916	1.7
98.22601	3.0
101.02440	12.1
113.02469	9.3
113.06055	1.5
119.03512	7.6
119.68658	1.3
120.01218	9.1
122.03743	3.9
125.02444	2.8
131.03545	1.9
133.86787	1.4
143.03505	1.9
161.04607	3.3
169.01401	1.2
179.05641	3.6
196.48242	1.4
213.07303	2.5
213.09212	28.7
226.16014	1.5
270.14853	2.1
314.13965	3.9
332.14938	5.2
450.21539	1.9
478.29758	1.4
494.20316	100.0
495.20685	2.5
537.19983	1.6
537.31573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39230	1.0
55.01870	2.0
57.03438	2.5
59.01377	100.0
61.98822	3.8
62.40034	1.0
66.36126	1.0
69.03455	7.1
69.28306	1.8
69.28713	4.3
71.01380	43.1
71.43934	0.9
72.99313	1.6
73.02934	7.2
75.17988	1.0
83.01396	3.8
85.02947	9.5
87.00887	4.0
87.04529	1.4
89.02441	51.0
89.74449	1.1
92.21702	1.0
93.03476	2.8
95.01414	3.1
95.05027	2.0
96.96033	1.8
99.00877	2.4
101.02437	26.9
107.05029	6.8
109.02875	1.2
111.00883	1.1
111.04581	1.2
113.02448	63.1
113.06120	1.2
116.92892	1.0
117.01969	2.0
119.03497	22.5
121.02923	6.2
125.02464	1.4
131.03534	2.9
135.04558	1.5
137.02464	1.1
139.04007	30.5
143.03490	5.3
149.04594	1.8
159.02985	1.8
161.04565	10.2
164.73964	1.0
173.04576	2.3
179.05597	29.5
191.05653	4.3
191.07150	2.2
199.07590	1.0
201.04091	4.1
213.09201	1.2
243.10229	1.6
255.10373	1.5
272.10745	1.5
273.11328	16.0
333.19025	1.6
351.20215	2.0
375.27502	3.4
387.20224	17.6
393.21420	3.5
423.85071	1.4
449.27643	1.5
477.30878	4.4
499.78760	1.1
501.23291	20.9
536.31702	3.3
537.20209	2.1
537.32770	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99156	0.6
59.01363	2.6
61.92250	0.6
61.98810	1.7
69.74149	2.0
73.02912	1.4
75.78725	0.6
79.49314	0.6
101.02500	0.7
164.90819	0.6
205.34094	0.6
221.70346	0.7
259.20532	0.9
287.20175	1.6
289.21759	5.5
333.20688	100.0
334.21179	3.6
374.05902	1.3
403.82471	0.8
455.25824	0.6
537.26978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
61.98814	0.4
69.11603	1.0
69.79182	0.2
71.01395	0.2
73.02943	0.4
73.88393	0.2
76.80854	0.2
98.21809	0.4
113.62313	0.2
131.72134	0.2
145.86143	0.2
165.49178	0.2
192.62610	0.2
299.62701	0.2
333.20679	100.0
334.21033	2.7
347.22266	2.1
375.21716	11.2
376.21930	0.4
460.53464	0.2
537.27081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03454	3.3
58.00582	0.8
59.01377	81.4
59.38220	0.4
60.01711	0.6
60.28215	0.4
61.98826	10.3
67.01884	0.4
69.03465	1.6
69.35975	2.1
71.01380	46.2
71.05006	0.8
72.99312	2.1
73.02939	7.6
75.00875	0.9
83.01382	3.1
83.05051	0.7
84.95123	0.5
85.02945	13.2
87.00867	3.8
87.04530	2.0
88.98821	3.6
89.02441	39.5
93.03467	1.8
95.01382	2.9
96.96019	2.2
97.06577	1.1
99.00909	1.6
99.08185	1.2
99.92600	0.7
101.02439	29.8
102.02780	0.5
109.02940	2.0
109.06615	0.5
111.00887	1.0
111.04532	0.7
111.08179	0.8
113.02447	22.5
116.92187	0.5
116.92865	2.9
119.03504	17.2
121.02975	2.3
121.06535	0.5
123.04579	0.7
123.08189	2.0
125.02461	1.1
129.01917	0.6
129.09309	0.8
131.03503	1.8
135.04543	0.9
136.01656	0.7
137.02509	0.8
137.06113	0.5
139.03999	0.6
141.09201	1.1
143.03461	3.2
143.10828	1.1
149.04617	2.1
151.04016	1.2
153.05501	1.1
153.09264	0.7
155.10789	0.6
159.03055	1.4
161.04561	6.3
167.03429	1.0
167.10774	1.1
169.12373	0.9
173.04590	1.3
176.01422	0.4
179.05612	9.3
180.04274	1.7
181.12280	0.7
187.13417	4.5
189.05635	0.5
191.05635	4.9
191.07166	0.7
195.06660	1.9
197.04564	0.8
203.13016	0.5
205.08633	0.8
207.13895	0.9
216.13623	3.0
225.14948	0.5
227.12967	1.6
243.12518	0.6
249.18510	0.7
270.60568	0.5
273.11429	2.1
279.06656	0.9
280.19839	0.5
282.08826	0.9
294.08969	0.5
297.11392	1.4
312.10202	1.1
327.12326	7.0
341.08746	0.7
345.13528	0.6
348.10941	0.5
349.18695	1.8
357.13364	2.2
357.26639	1.4
373.25980	0.6
375.14603	1.3
375.27490	33.8
376.27655	1.2
379.18884	0.8
387.20300	1.8
400.23871	0.5
401.22107	0.5
419.22931	0.6
423.14606	0.6
433.08096	0.6
477.23499	1.5
491.21075	0.6
494.97803	0.5
495.24692	0.8
501.23297	1.0
519.24170	0.5
537.25616	5.0
537.32849	100.0
538.33307	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	537.331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.6
63.88842	0.8
68.11855	0.8
69.15118	1.9
69.15533	2.9
78.95901	17.6
96.95995	2.8
98.22668	1.6
150.53876	0.8
152.99597	4.4
168.04263	2.9
224.06937	7.2
237.80841	0.7
241.21861	0.9
242.07993	1.4
255.23291	100.0
256.23572	2.1
285.05103	0.8
376.00552	0.9
452.27905	0.8
480.30948	84.9
481.30954	2.9
537.32428	2.8
541.22345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	0.9
64.94206	0.7
68.19844	0.7
69.66537	2.7
78.95885	2.3
88.98823	0.9
90.60892	0.8
90.99974	0.7
94.16892	0.7
111.52977	0.8
152.40340	0.6
152.99535	1.0
174.35164	0.8
190.96324	0.7
198.89377	1.1
204.10443	0.7
279.23181	0.9
361.54529	0.7
455.35281	100.0
456.35547	6.0
537.35620	57.4
538.35797	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	538.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.85646	0.2
59.01370	1.0
61.98830	88.9
70.38770	0.6
71.01393	0.3
89.02451	0.5
93.03458	0.3
95.05016	1.3
99.92657	0.4
116.92879	0.6
122.03779	0.3
136.05304	8.9
139.04018	7.2
140.04361	2.7
151.04005	0.5
156.11140	0.3
161.02435	0.3
171.08124	0.5
179.05629	0.3
183.11783	0.4
227.10773	100.0
228.11104	2.3
371.14828	0.3
431.17142	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	538.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77681	0.8
58.85952	0.9
59.06943	1.0
59.62188	1.0
61.98816	0.9
69.03468	1.7
72.00153	1.0
75.80875	0.8
85.06094	1.7
85.06586	26.9
86.06103	0.9
87.04514	1.3
97.02936	2.4
98.32358	1.0
112.04040	1.2
115.04063	1.1
117.45586	0.9
129.05617	0.9
131.07138	100.0
132.07434	1.7
147.11783	2.1
147.53448	0.9
176.62677	1.0
188.77039	1.1
203.55627	1.0
344.22220	3.7
351.12344	1.0
388.21198	4.3
406.22342	52.7
407.22656	2.1
412.02731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99329	2.2
60.85428	0.9
61.98808	1.4
69.24871	3.0
77.02485	0.9
78.95904	5.7
82.28170	0.9
82.95403	3.6
84.00906	1.4
84.95116	26.2
85.00430	100.0
95.26178	0.9
125.09729	1.9
136.05244	1.0
136.20946	1.0
152.99583	6.2
157.78166	0.8
165.05602	1.3
254.09354	1.1
264.74670	1.0
271.09769	1.1
286.12128	1.2
538.23389	2.9
538.31689	1.3
539.24310	8.0
539.31989	1.0
539.35681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26907	0.7
69.03470	1.1
85.02998	1.1
115.04043	1.3
116.28537	0.7
126.98882	1.1
127.02516	1.1
130.52449	0.7
137.01027	1.0
137.04617	0.7
143.01984	1.1
153.00452	11.0
155.02020	3.0
159.03015	2.8
199.00861	0.8
213.06300	1.1
214.98747	1.9
226.97234	4.9
237.00902	1.2
244.98380	1.2
254.96722	32.3
255.97015	0.8
257.00012	1.3
272.97800	18.7
276.98779	1.0
279.00394	1.9
280.94724	2.1
281.02240	1.1
282.96274	1.8
287.33640	0.8
292.98334	2.3
294.99881	19.0
296.97882	1.8
297.01437	3.9
298.95337	0.8
299.03033	2.2
302.96643	1.0
304.98218	6.4
306.99915	9.2
322.99341	36.4
323.99515	2.0
325.00906	79.0
326.01114	3.9
334.99356	19.8
351.05835	1.4
367.05444	2.9
378.98331	100.0
379.98737	4.6
395.05209	1.3
396.99356	1.0
423.04645	2.0
452.73691	0.9
467.01688	1.1
477.02274	1.0
495.03015	8.3
539.01990	70.7
540.02069	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	539.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04242	0.9
57.64097	1.0
60.10301	0.9
62.01123	0.9
69.03446	1.6
69.74191	1.0
69.74532	3.0
87.04501	2.1
93.03477	1.2
98.21912	1.3
110.03941	1.0
115.04021	5.4
127.02504	1.2
128.91093	0.9
131.03505	3.4
137.01027	1.2
143.02014	1.6
143.03491	1.5
143.44615	0.9
153.00441	11.2
155.02005	3.4
159.03017	6.4
165.96346	0.8
170.99754	1.0
182.77078	0.9
186.99208	1.7
196.98502	2.2
199.00990	1.0
201.00806	1.9
214.98750	4.4
215.02386	1.2
216.98741	1.4
226.97168	5.6
244.98294	1.7
254.96732	30.9
255.96867	1.5
256.97806	1.0
256.99872	11.0
268.99686	1.1
272.97784	23.2
279.00302	1.2
280.94583	2.3
292.98355	3.0
294.99866	20.4
296.97949	1.7
297.01401	4.5
299.02985	2.2
302.96912	1.7
304.98129	5.4
306.99872	9.5
309.01370	1.2
320.97849	1.3
322.99338	44.6
323.99615	1.5
325.00900	80.0
326.01202	5.2
327.02130	1.4
334.99332	19.0
335.99594	1.1
337.00790	1.0
338.97107	1.8
367.05481	3.5
378.98334	100.0
379.98560	5.0
423.04587	1.9
441.05728	1.3
460.97223	2.3
467.01712	3.9
477.02118	1.3
479.10367	2.0
495.03210	8.2
539.01965	69.8
540.02313	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	539.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
61.98829	5.8
65.60647	0.6
68.16814	0.6
69.92838	0.6
71.01364	1.1
73.02943	1.4
73.88172	0.8
79.82140	0.6
84.93858	1.4
96.96002	3.8
98.95586	4.6
98.96398	0.7
99.92573	14.5
100.93365	9.5
101.02441	2.1
114.93436	0.8
115.92073	13.0
116.92860	100.0
117.92860	1.4
121.02964	2.7
126.94883	0.9
141.93629	0.8
142.94417	1.9
156.92285	0.8
158.93927	2.2
166.01385	0.7
184.91846	2.5
184.95476	2.3
196.95506	0.9
204.28700	0.7
212.95007	0.9
217.00288	0.8
217.95096	0.7
242.95932	1.5
244.97652	1.1
320.99146	0.8
361.07617	0.7
432.84567	0.8
435.07449	4.6
453.08603	2.6
470.17789	0.7
477.08380	1.0
495.09631	5.5
497.27625	0.9
503.06537	2.5
539.08801	11.4
539.28577	13.3
551.64844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18912	1.0
59.01379	16.2
61.98831	8.2
67.36970	1.1
69.89344	2.3
71.01379	5.3
73.02930	1.7
80.65021	1.1
85.02925	2.1
87.00883	1.4
89.02438	2.5
93.03449	1.3
101.02463	2.3
113.02439	3.0
119.03505	2.2
139.07663	5.1
173.04532	1.3
175.07565	1.6
187.07608	1.5
191.05557	2.9
201.05540	2.7
201.09145	1.3
224.04666	1.4
225.05562	17.8
229.08629	4.1
230.09387	2.7
239.07156	13.3
240.07941	6.2
255.10258	100.0
256.10565	2.6
262.12131	1.5
278.51572	1.2
360.25735	1.2
409.14972	1.4
410.15637	2.9
539.28601	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	539.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.4
59.01377	40.3
69.19986	1.9
69.20390	0.7
71.01378	27.1
72.99309	0.5
73.02934	1.0
76.27267	0.4
83.01391	1.1
85.02949	5.5
85.83521	0.4
85.98660	0.4
87.00861	2.0
88.58740	0.4
89.02439	36.2
95.01389	1.6
97.02966	0.4
99.00878	0.7
101.02438	15.4
104.87141	0.4
111.00865	0.6
113.02442	18.2
119.03499	9.8
125.02466	0.6
131.03500	1.8
143.03503	3.6
149.04572	1.3
161.04562	6.4
179.05600	16.9
197.02231	0.6
215.03311	1.2
233.06635	1.6
323.09814	16.3
336.98947	0.4
341.10757	2.1
359.07455	3.6
377.08557	0.8
503.16162	100.0
504.16638	2.5
539.13818	40.6
540.14026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72622	0.6
55.14348	0.5
59.01342	1.1
61.98816	0.8
70.16807	1.3
76.48972	0.6
91.65864	0.5
93.03470	5.9
98.22622	0.8
98.81425	0.7
108.02097	0.5
114.62867	0.6
116.01235	0.5
121.02882	2.0
133.79158	0.6
134.02829	0.7
134.03717	7.6
135.04459	0.6
137.02448	9.4
142.41980	0.7
167.12508	0.6
174.99231	0.7
194.07364	0.7
209.06044	3.9
210.06895	3.6
211.07509	0.8
217.00261	1.4
222.06694	1.0
237.05502	1.9
238.04408	0.6
238.06363	7.9
239.06989	2.3
250.06140	0.9
251.06911	0.7
251.10687	1.4
252.07825	1.3
253.08678	13.0
255.06534	1.3
265.08658	1.4
269.07953	0.7
271.09641	0.6
285.11325	26.6
286.11789	0.8
327.10141	1.3
329.11838	0.7
340.07254	1.3
341.08026	0.7
343.09708	1.2
343.13409	0.7
354.08966	7.1
355.09738	70.3
356.10513	29.8
357.11148	3.1
359.12646	0.7
369.11047	1.7
371.12759	1.5
373.10388	0.8
374.99109	0.9
386.07825	1.0
386.15323	1.8
388.09448	11.1
396.69675	0.6
401.17599	7.8
459.12512	1.0
461.10214	0.9
462.10870	3.1
475.12286	0.9
476.12473	0.7
477.13315	11.6
479.18420	1.0
491.14996	22.2
492.15628	2.4
503.16458	1.3
505.16727	2.3
507.18106	100.0
508.18573	5.5
509.20053	0.9
514.87531	0.7
539.20758	75.9
540.21594	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	539.2436
Annotation	Isovouacapenol E
Peak:m/z	Relative Intensity
69.66787	0.9
78.95891	0.8
106.04241	1.8
121.06599	1.1
131.76180	0.3
135.04507	2.6
136.05298	11.5
137.06079	17.3
145.80359	0.3
149.06070	6.1
150.06824	1.0
151.03979	0.5
151.07623	0.3
152.99536	0.4
163.04039	0.8
164.03436	0.6
164.04787	10.0
165.05566	30.2
166.06088	0.4
193.10277	0.3
194.07425	0.4
195.11774	0.3
196.08902	1.0
196.26854	0.3
209.09724	1.3
210.06967	0.5
210.10442	2.3
211.07597	0.6
211.11293	1.3
223.07755	0.3
224.08443	0.9
225.09212	14.0
226.09860	1.3
227.10783	0.7
236.08453	0.3
237.09242	3.8
238.09981	19.5
239.07207	0.4
239.10612	1.6
240.07640	0.4
241.08791	0.9
252.07979	0.7
253.08694	12.5
253.12338	15.4
254.09480	25.5
255.10248	18.7
256.08264	0.4
256.10977	4.4
257.11819	7.8
267.10208	0.3
268.11035	4.3
269.08740	0.4
269.11789	5.8
270.08932	0.8
271.09723	1.3
271.13086	0.6
283.13449	2.6
285.11316	23.3
286.12085	15.7
287.12442	0.5
293.56598	0.3
337.14484	1.5
360.13654	0.4
385.14401	0.6
403.15677	0.7
404.16208	0.4
417.16739	0.4
418.17664	0.9
422.73975	0.3
512.44940	0.3
524.22284	1.4
526.80225	0.3
539.24377	100.0
540.24731	6.5
540.30829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2436
Annotation	Isovouacapenol E
Peak:m/z	Relative Intensity
53.45892	0.4
56.05593	0.5
56.75209	0.4
58.00118	0.5
59.01378	0.8
61.98827	1.0
69.29205	2.6
78.95908	0.6
87.67979	0.6
96.96030	0.9
98.22652	0.9
106.04214	1.0
121.06587	0.7
122.74744	0.6
126.72868	0.5
135.04488	0.5
136.05324	0.6
138.19440	0.5
149.06059	2.1
150.06793	0.7
208.08813	0.6
209.06102	1.3
211.07513	0.5
217.00136	0.7
223.07649	5.4
224.08295	0.9
225.09186	14.6
237.05580	1.8
238.06339	1.9
239.10765	1.8
251.07114	3.0
252.07915	10.7
253.08693	15.3
254.09372	1.5
261.02707	0.6
265.08725	1.6
266.09509	1.3
267.10077	2.9
268.11014	5.1
269.11472	0.6
271.13379	8.1
291.10342	0.6
293.08008	0.9
294.09000	2.4
295.09619	1.0
303.13852	1.6
306.12402	0.5
309.11264	0.6
342.12738	0.8
343.13596	0.6
373.10724	1.0
375.15973	2.7
385.14429	1.9
386.15143	2.1
387.12183	1.4
388.13104	3.2
389.13797	0.9
402.14734	0.8
403.15622	4.6
418.17633	0.8
424.20120	0.6
468.19467	1.2
479.22241	0.8
480.23154	0.7
496.22342	1.1
505.20068	1.2
506.20438	1.2
509.20209	0.6
521.23047	0.9
523.21381	4.6
524.22003	30.6
525.22229	1.8
539.24420	100.0
540.24536	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	539.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.4
61.98827	3.8
70.88242	0.6
71.01375	1.1
73.02956	1.0
73.81187	0.5
87.49937	0.4
89.02497	0.5
101.02463	1.1
113.02449	0.5
116.92802	0.6
217.00291	1.1
227.07285	0.5
227.94135	0.5
257.80896	0.5
291.12540	0.5
335.22260	100.0
336.22720	2.6
349.23920	0.8
366.45139	0.5
389.22031	0.6
539.28809	1.1
549.08081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	15.0
69.10641	100.0
96.98829	15.4
98.22778	14.9
107.13535	19.2
117.27678	17.5
125.09729	24.0
152.99635	18.8
177.13132	14.3
195.55492	16.3
239.18582	16.8
282.25177	72.9
479.29358	43.2
482.20908	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.8
61.98824	100.0
71.01392	2.7
71.26556	1.7
73.41215	1.1
74.77164	1.1
89.02423	2.5
101.02389	1.3
113.02434	2.3
114.05588	1.6
119.03432	1.5
129.30806	1.1
130.08679	1.8
144.07692	1.3
146.06107	4.7
151.00343	1.4
151.39505	1.1
164.37956	1.2
186.12462	2.0
191.05540	2.2
228.00632	5.3
242.02170	2.1
243.02957	19.1
257.04550	6.6
263.97394	3.3
270.01669	6.1
271.02451	20.9
285.03955	9.4
286.04572	2.5
299.01944	5.9
300.02628	3.3
314.04294	40.4
315.05002	7.9
390.05615	2.5
418.46902	1.3
426.02545	1.1
477.10327	83.8
478.10580	2.8
504.27991	2.5
540.30023	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	540.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68005	2.2
59.01370	6.7
59.39921	1.9
61.98825	99.4
67.25352	1.5
67.68708	1.5
70.61864	2.6
70.62232	2.5
71.01364	3.8
82.95394	1.9
89.02454	2.8
102.18987	1.6
113.02450	2.9
127.66498	1.7
128.43710	1.7
151.00417	2.0
170.88983	1.7
191.05656	5.5
199.04021	2.2
212.25262	1.7
215.03389	1.9
220.14233	1.8
227.03505	2.1
242.02216	3.8
243.02975	23.6
257.04584	5.5
270.01666	5.2
271.02518	22.8
285.04034	15.3
286.04749	6.1
299.01901	8.3
300.02655	3.3
314.04306	49.6
315.04962	9.6
465.26865	3.3
477.10342	100.0
478.11063	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	540.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87972	0.6
56.00618	0.5
59.01373	0.5
61.98831	100.0
64.07629	0.5
67.91560	0.7
69.61419	2.4
70.10418	0.6
92.57822	0.7
124.36257	0.6
137.02469	1.3
160.15099	0.6
229.38429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.0
61.98827	100.0
71.01389	0.6
74.02464	0.5
74.44289	0.2
74.71902	0.2
89.02452	0.6
93.01812	0.2
96.96043	0.4
100.93331	0.2
101.02450	0.3
121.02986	0.2
150.94839	0.3
165.86592	0.2
257.85831	0.2
303.49170	0.2
454.18155	0.3
469.82010	0.2
540.30322	1.0
551.81195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
59.01380	6.9
61.42740	0.9
61.98826	42.6
69.03432	1.3
69.52821	3.4
71.01373	1.5
71.10597	1.0
73.02979	1.2
78.91880	2.5
80.91656	1.6
83.49519	0.9
85.02948	1.2
93.03451	1.9
99.00928	1.3
107.05016	2.4
108.02186	1.0
109.02944	2.5
112.01659	1.6
113.02425	2.9
119.05044	1.6
121.02967	1.3
122.03745	4.3
123.04514	3.6
124.01649	1.3
124.07661	1.1
124.98808	3.8
127.03951	1.2
129.03490	2.2
131.05009	8.8
133.06537	1.6
135.04529	5.1
137.02419	1.4
139.00340	1.3
139.03955	1.6
146.03737	41.0
147.00960	1.2
147.04536	9.2
148.05325	6.4
149.02560	2.4
149.06035	1.4
150.03236	11.8
151.03967	2.8
152.04790	2.0
155.56821	1.0
161.02434	1.9
161.04823	1.4
161.06029	6.4
162.03242	17.4
163.03973	6.4
163.07655	2.9
165.05516	1.2
165.12888	1.2
167.03542	1.5
167.06308	3.3
173.02432	2.5
174.03189	5.4
175.00340	1.7
175.03954	3.6
177.02014	1.2
177.05513	9.8
178.02708	21.5
178.06303	1.0
179.03442	5.2
189.01959	7.9
190.02708	29.7
190.08742	3.3
191.03487	10.8
191.24371	1.1
192.04294	7.7
193.05028	1.1
205.05049	65.6
206.02167	12.6
206.05681	4.5
207.02931	2.8
207.06618	24.5
211.05238	1.3
221.04491	11.3
222.05177	2.2
234.01723	17.4
235.02426	1.3
237.07672	65.3
243.03506	1.3
248.12920	2.6
249.04030	100.0
250.04779	2.6
264.06369	27.7
265.07150	7.2
282.47244	1.1
293.05539	2.3
302.10712	1.4
302.13983	20.7
303.14435	1.1
307.07410	1.5
508.19284	2.0
510.17181	1.4
525.19934	19.6
540.22375	79.5
541.22687	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	540.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
59.01373	5.1
61.38676	1.1
61.98835	6.1
69.84782	3.4
91.07733	1.2
105.03500	1.2
105.79649	1.0
107.05013	4.0
108.68092	1.3
109.02942	2.9
111.00832	1.3
112.01673	2.1
119.04983	1.6
121.02956	1.5
122.03747	5.9
123.04498	4.6
124.98790	3.1
125.02452	2.4
127.04018	3.6
129.03499	1.6
131.05017	10.2
133.02873	1.5
133.06621	2.7
135.04536	6.2
137.02425	2.7
137.05952	1.3
139.03989	2.5
145.02925	1.7
146.03737	48.7
147.04509	11.9
148.04239	1.0
148.05290	8.1
149.02426	2.5
149.06097	1.3
150.03194	14.2
151.03970	2.5
152.04793	1.5
161.02477	1.6
161.06079	5.9
162.03212	20.0
163.04051	7.6
163.07597	1.7
165.05629	1.5
167.03555	1.5
173.02446	2.9
174.03154	5.9
175.00418	2.2
175.03983	4.6
176.04660	1.5
177.05582	9.9
178.02719	26.2
179.03471	5.3
189.01979	8.2
190.02710	35.9
190.08690	3.3
191.03484	11.9
191.05232	1.5
192.04268	9.0
193.05031	1.6
204.13895	2.8
205.05051	74.3
206.02188	12.9
206.05754	3.0
207.03050	6.0
207.06616	26.8
221.04544	10.4
222.05235	1.9
234.01680	18.7
235.02473	1.3
237.07663	73.2
238.08047	1.4
248.12956	1.9
249.04036	100.0
250.04623	3.7
264.06378	26.2
265.07098	8.9
267.90237	1.2
279.57797	1.2
300.12338	1.2
302.13974	20.0
304.15802	1.4
389.50986	1.4
465.17969	1.8
482.18073	2.0
508.19885	1.8
525.19965	19.8
540.22388	82.5
541.22504	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	540.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96423	0.9
59.01368	1.6
61.98825	2.4
79.81435	1.1
84.00906	1.9
96.83514	1.0
103.66855	1.0
144.20502	1.1
204.05130	2.0
215.02087	0.9
223.17331	1.2
335.22241	100.0
336.22626	3.6
464.95383	1.0
497.27704	5.1
540.28162	19.2
541.28253	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04383	0.9
52.31094	0.9
59.01371	1.7
61.59398	1.2
61.98818	1.6
69.21818	5.4
84.00909	2.3
95.11266	0.9
114.01949	1.3
146.06099	5.5
146.41771	0.9
147.41974	1.1
190.05084	1.3
204.05255	1.6
311.07639	1.6
335.22256	100.0
336.22644	3.4
497.27692	3.6
502.13516	1.5
540.28101	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	540.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20028	3.3
59.01361	10.3
61.98826	64.5
71.01379	4.0
82.95416	8.8
88.90700	3.4
107.47522	3.7
123.50603	3.2
124.11401	3.4
125.98413	3.4
191.05684	6.1
263.49747	4.4
315.20663	4.6
335.22263	100.0
345.17944	3.1
419.59351	3.6
440.68652	3.4
480.26767	9.3
497.27463	5.8
498.28040	4.7
540.28876	38.7
540.37274	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	541.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74832	0.8
57.03453	1.4
58.00584	1.1
59.01377	100.0
61.98836	5.1
63.53631	0.8
69.03431	1.4
69.54797	2.0
69.55185	2.0
69.74542	0.8
71.01379	43.3
72.99291	1.9
73.02928	2.3
82.95383	0.8
83.01385	2.4
84.95111	2.2
85.02949	7.8
87.00883	2.3
87.04510	1.6
88.06375	0.9
88.98804	2.6
89.02442	62.1
93.03413	1.6
95.01384	3.0
96.96005	1.1
101.02439	31.1
108.02156	3.1
109.02950	3.5
113.01705	1.7
113.02447	23.8
113.03227	1.3
119.01376	1.3
119.03493	31.3
131.03482	3.9
135.04482	2.4
137.02428	2.3
139.04016	5.0
143.03461	3.6
149.02420	1.1
149.04550	2.0
151.04001	1.1
152.01149	4.2
153.01915	2.5
161.04544	5.6
173.04535	0.9
179.05615	11.9
183.79742	0.8
191.05634	2.0
203.07085	1.0
249.46411	0.9
332.03732	0.8
345.75107	0.8
404.07816	0.9
427.12430	74.1
428.12759	3.1
469.24588	1.6
483.26132	1.0
497.30191	1.2
505.26364	1.5
541.19598	5.6
541.30658	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	541.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81461	1.7
61.98790	2.6
69.15578	9.2
70.08291	1.8
78.95898	22.9
80.96473	2.8
85.00413	8.3
96.95988	1.7
98.22679	3.8
106.04185	2.1
121.02921	4.0
122.03737	15.6
135.04518	2.2
150.03224	18.6
150.26183	1.8
152.99492	5.3
155.08626	2.1
163.04002	2.5
183.08163	3.2
199.07620	3.7
209.05751	2.4
211.07520	2.4
213.05255	2.2
224.06827	5.3
225.05464	4.6
226.06287	4.1
227.07101	9.2
239.07123	2.8
240.04190	4.7
241.08755	10.6
241.12231	7.4
243.06534	2.7
243.10251	12.3
255.06604	28.9
255.23274	86.3
256.03711	3.5
256.07291	2.3
256.23709	9.0
257.04385	3.1
269.08182	37.6
269.11264	3.0
271.06281	2.8
271.09729	52.5
272.10226	2.1
284.03290	9.1
287.12793	2.5
299.05621	16.7
323.09225	12.6
376.12878	3.0
405.09174	2.2
420.12094	41.2
480.30960	58.0
481.31177	10.4
497.19427	3.7
513.18707	3.7
541.18378	100.0
541.25330	7.0
542.18683	2.4
553.96747	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	541.2227
Annotation	Cochinchinenin C
Peak:m/z	Relative Intensity
56.01336	0.4
60.87380	0.4
69.83475	0.8
69.83866	1.1
121.02923	2.0
122.03733	6.3
123.04522	12.3
124.04845	0.5
135.04520	1.5
136.05278	1.0
137.02420	1.1
149.02408	0.5
150.03223	6.2
151.04005	23.7
152.04506	0.4
172.42946	0.4
194.07343	0.7
195.08180	0.8
195.78464	0.4
196.08929	4.5
209.06108	0.6
210.06851	1.0
211.07626	11.4
223.07646	0.5
224.08412	24.8
225.08960	0.9
226.06262	0.8
227.07063	2.1
238.06325	1.5
239.07112	15.3
239.10765	24.5
240.05525	0.9
240.07886	12.0
240.10789	0.7
241.05058	1.0
241.08652	0.7
243.06610	0.5
253.08627	1.1
254.05690	0.7
254.09467	6.3
255.06560	1.4
255.10204	3.4
256.07358	2.4
257.08185	1.1
269.11786	1.9
271.06281	1.1
271.09717	5.4
272.06879	1.7
273.11371	3.7
285.10953	0.5
286.08453	1.7
287.09161	1.8
288.09766	0.7
301.10803	14.0
302.11545	9.4
346.11917	0.6
347.12759	0.4
361.10770	0.5
375.12274	0.6
376.13123	0.8
389.13867	1.5
390.14392	0.6
403.15427	0.5
526.20050	2.0
541.22272	100.0
542.22607	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	541.2234
Annotation	Cochinchinenin C
Peak:m/z	Relative Intensity
51.75165	0.3
60.27961	0.3
61.98832	0.5
69.99670	0.8
74.62035	0.3
84.15031	0.3
93.03455	0.3
108.02187	0.3
121.02962	2.8
122.03735	0.4
128.00854	0.3
133.02872	0.3
135.04533	0.8
136.05319	1.0
137.02460	0.3
137.06104	0.9
145.96962	0.3
150.03261	0.3
156.23886	0.3
194.07373	1.0
196.08897	0.7
197.06079	0.5
209.06110	2.6
210.06891	0.8
211.07634	4.5
223.07603	0.5
224.04626	0.4
225.05574	1.1
230.69540	0.3
237.05582	2.3
238.06348	8.6
239.07121	6.3
240.07855	2.7
251.07164	1.4
252.07852	1.9
252.34085	0.4
253.08592	1.7
254.09520	3.8
255.10312	1.9
256.07330	0.4
257.08102	0.3
258.08755	0.3
267.10233	0.8
268.10489	0.4
271.09714	0.7
272.10352	1.4
273.10956	0.5
275.10779	1.4
277.08551	0.5
280.07407	2.5
287.12866	2.3
289.08768	0.4
289.12164	0.6
291.10291	0.5
294.09134	0.5
295.09732	2.4
305.12030	0.4
309.11166	0.3
315.10120	0.7
316.10965	0.6
318.08850	0.4
319.09738	0.6
329.11789	1.2
331.09695	0.4
331.13321	0.8
333.11203	0.4
345.07504	0.4
345.11349	0.7
346.11972	0.7
347.12787	1.3
355.09775	0.7
356.10486	1.2
357.11176	1.7
359.09305	1.0
360.10135	2.1
361.10654	0.7
371.12967	1.0
373.10422	1.5
374.11700	1.2
375.12323	3.8
389.13986	1.8
390.14575	1.1
403.18332	0.5
426.18481	0.3
467.18768	0.6
470.16824	0.3
481.20255	0.4
482.21213	1.5
485.19666	1.1
493.16260	0.5
496.15192	0.4
498.19873	0.4
507.18140	1.1
508.18909	1.0
509.19586	0.8
511.17685	1.7
523.21088	1.1
525.19128	3.9
526.19977	20.9
527.20428	0.9
541.22308	100.0
542.22626	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	541.2233
Annotation	Cochinchinenin C
Peak:m/z	Relative Intensity
61.98831	2.7
70.96924	1.1
70.97255	1.3
83.41710	1.2
93.03465	1.2
101.11813	1.1
121.02958	2.7
135.77902	1.4
137.02451	2.4
147.69490	1.1
149.06093	1.8
161.02623	1.3
167.25853	1.1
206.98769	1.2
225.09196	15.1
253.08699	17.1
254.09381	3.6
260.94894	1.2
268.11053	17.9
269.08151	1.2
269.11765	4.1
269.69623	1.3
270.12457	2.8
271.09775	3.3
342.08945	1.9
343.09421	2.8
344.10535	1.9
345.11050	2.0
356.10623	2.5
357.11414	10.0
358.12091	13.0
359.12836	3.0
361.10797	29.1
374.30667	1.2
419.18646	1.7
469.16348	1.3
479.15048	1.6
493.16589	3.3
494.17435	4.4
495.18069	3.3
507.18118	2.3
508.18872	1.4
509.19623	13.0
526.19348	1.7
541.22357	100.0
542.22723	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	541.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77210	1.0
59.01376	100.0
59.92437	1.1
61.98824	2.9
67.79263	1.3
69.03489	1.4
69.42549	2.6
69.42941	2.7
70.63763	1.0
71.01379	62.4
72.99287	2.3
73.02927	12.3
76.57918	1.3
78.90295	1.1
83.01382	2.0
85.02948	9.9
87.00858	7.5
87.04557	2.4
89.02440	96.1
96.95467	1.2
96.95996	7.8
101.02435	44.2
113.02446	15.4
115.04021	2.4
119.03492	11.8
121.02950	2.2
124.82911	1.2
125.02469	1.8
131.03499	39.4
143.03465	4.0
149.04549	76.5
150.03145	2.4
151.06102	4.0
161.04561	3.6
165.05562	1.8
179.05548	3.3
191.05627	19.5
195.06660	1.8
216.10500	1.1
216.90486	1.1
221.08263	1.9
221.19966	1.2
221.68056	1.3
221.95520	1.4
236.73189	1.2
251.07690	2.8
273.97864	1.3
293.08624	2.4
311.09711	4.3
313.11371	32.4
331.11700	1.8
349.18698	2.6
353.97232	1.3
427.13474	1.5
427.18146	3.4
481.22824	49.7
482.23459	2.4
541.21741	1.6
541.29517	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	541.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98822	0.8
63.96219	0.7
65.22632	0.6
69.05955	0.7
71.01376	5.5
73.02924	1.5
78.95904	2.1
78.98589	4.0
79.95727	7.7
80.96510	52.5
81.03433	1.1
83.98213	0.7
85.00433	2.0
85.02940	2.5
85.33521	0.6
87.00873	3.0
91.04086	0.7
94.98090	12.8
96.96023	1.5
97.02968	1.4
101.02466	1.8
106.98072	2.6
108.10159	0.7
120.74784	0.7
121.02973	1.2
122.97564	4.8
125.02448	2.8
134.97578	3.2
136.99117	0.9
148.99156	4.4
149.02412	0.7
149.06024	1.0
152.98601	6.8
152.99574	0.9
153.85355	0.7
156.44740	0.7
161.13014	0.8
164.98601	10.0
182.99649	1.1
206.99686	2.6
225.00717	16.6
226.00983	0.8
239.10652	1.2
241.21718	2.7
242.05878	2.6
243.01793	1.3
246.98778	0.7
255.10449	0.9
257.08191	8.0
257.11075	1.0
269.11896	2.5
270.12698	1.3
271.09790	2.7
283.09814	1.1
285.11469	0.7
285.68802	0.7
299.04489	2.0
440.66095	0.8
523.21729	0.9
535.93420	0.7
541.26978	100.0
542.27167	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	541.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	1.8
59.01368	1.9
61.98831	5.8
69.11871	2.3
71.01373	1.5
72.99303	0.7
73.02929	0.6
73.04049	1.8
80.05031	0.6
82.03010	0.9
83.06153	0.9
84.04550	2.6
85.02977	0.5
87.00877	0.5
87.05643	3.9
88.98812	4.1
89.02454	2.5
97.04114	0.5
98.02480	0.5
99.01987	0.5
101.02460	0.5
101.07213	1.9
109.04095	4.5
110.02482	2.1
111.05624	0.6
112.04025	0.9
113.02465	1.0
116.92867	0.4
119.03563	0.4
125.03558	1.0
126.06760	2.5
127.05140	12.5
128.03532	4.4
129.06728	5.1
129.10345	5.6
130.08713	1.1
139.08755	1.2
140.07146	1.9
140.08176	0.4
141.06775	0.5
144.07793	12.2
145.06195	24.5
151.08783	1.1
155.03500	0.7
155.08252	0.9
155.11920	0.9
158.09354	0.6
161.02435	0.4
161.04529	0.4
165.05577	0.6
168.07776	8.3
168.11388	0.6
169.09795	0.9
173.04562	0.5
174.78745	0.4
177.09038	0.4
179.05698	0.7
183.06432	0.9
186.08842	16.1
186.12386	0.8
191.05635	0.5
196.14551	11.2
197.14900	0.5
197.16576	1.0
199.18134	0.6
201.25726	0.4
207.15002	0.6
208.13405	0.4
212.10344	0.4
212.14175	0.7
214.15572	3.8
224.14015	0.5
225.16112	2.2
239.14975	1.1
240.13503	1.8
242.18782	0.9
258.14575	1.4
281.16165	1.5
299.17255	0.5
309.22943	6.2
317.10178	1.1
318.16797	0.6
327.24033	8.4
336.18073	1.6
347.86609	0.5
351.24020	0.5
366.25143	1.0
367.08160	1.5
371.22977	0.6
384.26193	2.7
395.22855	1.2
437.28525	0.6
448.75302	0.4
455.29602	0.8
474.15588	0.5
479.29718	0.6
497.31015	1.1
503.16483	0.5
523.28833	2.1
541.29889	100.0
542.30225	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85743	0.4
55.20858	0.4
59.01356	0.5
60.99301	14.4
61.23137	0.4
69.15779	1.9
82.83128	0.4
87.00874	4.4
88.00397	0.5
88.01205	1.1
88.98800	100.0
89.02438	26.2
93.03437	0.4
100.38973	0.4
129.30551	0.4
132.82097	0.4
137.02504	0.4
188.54617	0.5
191.05611	0.5
207.91811	0.4
223.93648	0.4
335.82190	0.4
451.33264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98831	1.4
66.01318	0.9
71.01376	23.5
72.99277	1.2
73.02942	6.3
83.01398	1.4
85.02949	4.0
87.00906	1.3
89.02441	41.7
95.01358	1.8
96.95979	2.3
99.42989	0.8
101.02445	13.1
107.04988	1.5
109.02939	1.0
113.02454	11.7
119.03506	14.0
131.03506	2.1
143.03500	4.8
149.04556	1.5
153.21700	1.1
161.04558	5.0
162.09140	1.4
176.10786	1.4
179.05620	14.3
232.17026	5.7
258.14990	6.0
276.15964	4.3
302.13956	4.3
320.14996	73.2
321.08710	1.1
321.15240	2.0
461.72403	1.2
540.25464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2395
Annotation	Scoparasin B
Peak:m/z	Relative Intensity
50.01352	2.0
50.78308	2.2
55.01872	3.7
59.01363	4.1
61.98830	17.7
70.80679	2.8
71.01382	4.4
75.09337	2.2
75.62945	2.3
79.12807	2.1
107.05003	5.9
109.02950	4.4
113.02473	4.9
122.03751	5.2
123.04562	4.1
127.04039	2.4
131.05035	11.3
133.03040	2.2
135.04524	10.8
145.03038	3.1
146.03734	55.5
146.06172	4.6
147.04494	12.6
148.05284	11.1
148.96701	2.2
149.02419	5.8
150.03229	10.5
151.03961	6.7
160.04036	9.6
161.02513	2.5
161.06107	9.3
162.03238	8.7
163.04024	9.8
173.02429	3.2
174.03171	19.2
175.03941	3.3
176.01151	5.6
177.05595	5.2
178.02721	18.2
179.03500	8.5
180.04335	2.1
189.01917	4.7
189.05602	5.4
190.02736	38.5
191.03508	40.8
191.07100	2.5
192.04309	9.2
192.10843	2.3
205.05055	97.9
206.02240	10.1
206.05847	11.5
207.03090	5.3
207.06653	40.9
214.04803	3.0
221.04601	10.5
233.04395	3.5
234.01665	5.1
235.02531	3.3
237.07674	100.0
249.04028	29.1
250.04843	8.1
250.14476	4.3
264.06393	3.3
265.07153	18.7
304.15579	2.8
378.88010	2.3
524.35706	3.3
527.21338	5.7
542.24017	79.4
543.24207	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	543.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00161	0.9
59.01380	14.1
60.66399	1.1
61.98835	11.8
71.01373	10.6
71.42457	1.1
73.02946	2.1
74.31340	1.2
75.00889	1.0
83.01360	1.3
83.93102	2.3
84.93874	3.4
85.02956	4.8
87.00906	1.9
87.04506	6.4
89.02444	8.8
95.01392	1.6
96.96002	8.5
98.95590	6.0
99.00882	4.3
99.92583	50.2
100.93362	47.8
101.02421	5.8
107.05038	7.9
108.02191	3.5
111.04553	1.0
112.64974	1.0
112.98582	1.0
113.02448	10.6
115.92077	52.7
116.92861	100.0
117.92822	1.6
119.03493	2.6
119.04964	1.1
123.00865	2.9
123.04536	2.2
124.93319	1.1
124.97015	1.6
126.94919	2.2
128.92856	1.8
131.03510	9.7
135.04543	2.9
139.03973	1.6
140.96509	2.2
141.93637	5.8
142.94397	3.8
143.95274	1.2
151.03969	1.5
151.95715	1.3
152.01137	10.1
154.94446	3.3
156.95961	2.1
160.05260	1.5
161.04564	3.4
161.06020	2.7
162.05579	3.1
167.03493	8.5
167.95219	2.5
168.95981	3.9
169.93176	1.8
169.96802	5.7
170.93895	3.5
170.97620	5.5
171.94710	1.7
172.05241	1.8
178.94466	1.1
179.03505	1.2
179.05547	3.2
179.07047	1.4
180.06631	1.3
184.95514	1.7
186.97038	2.2
189.05583	6.6
190.06325	10.7
191.05569	2.3
191.95163	3.2
195.94698	1.5
196.95596	2.1
198.96988	1.2
205.05154	2.8
205.08711	11.0
206.93886	12.1
207.94672	2.0
212.94939	3.2
213.95746	13.9
214.94638	1.7
214.96548	15.8
215.97238	1.2
219.06630	2.0
221.96231	1.9
224.95035	1.9
226.96590	1.6
235.94357	1.1
239.97278	2.9
242.95996	4.3
243.96806	3.8
244.97580	1.2
249.07748	6.7
250.96524	1.6
264.94888	1.2
267.67664	1.1
283.95953	1.1
285.00711	4.3
298.98654	2.7
299.12024	1.3
313.00186	1.2
315.65652	1.1
327.80676	1.1
338.98108	1.9
339.98813	5.0
341.08820	8.1
356.99121	3.3
357.99921	3.4
364.99637	2.3
365.03897	1.9
367.10345	3.9
374.99866	1.3
376.00903	3.6
429.14111	3.7
450.21487	2.7
453.04773	1.1
455.11801	8.1
481.04251	2.4
483.24472	2.2
499.17648	2.2
507.02252	15.8
525.03442	21.6
543.04456	61.2
543.17511	3.4
544.04724	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	543.1509
Annotation	CHEBI:85153
Peak:m/z	Relative Intensity
50.87687	0.9
59.01368	3.9
61.98829	7.6
67.01868	3.8
71.01375	3.1
73.02921	1.3
78.88915	0.9
81.03483	1.4
83.05019	3.5
85.02968	2.2
87.00869	3.0
89.02460	0.9
89.03947	1.7
93.03453	23.6
94.98093	1.0
96.96005	1.5
98.22672	2.2
105.79845	0.9
109.02924	2.0
111.00864	1.3
111.04526	15.8
116.92863	2.1
117.03465	7.3
125.02460	1.2
127.04003	2.1
132.02162	4.2
133.02924	2.5
134.03741	86.9
135.04068	1.1
137.02429	20.7
145.03000	1.4
146.03687	1.7
149.02486	1.6
149.06076	9.5
155.03506	40.2
160.01659	33.1
160.02969	1.6
161.02448	1.7
164.04750	2.0
173.04549	94.2
174.04866	0.9
175.04001	43.0
178.02687	4.1
191.05577	4.1
193.05055	63.5
194.05368	1.1
205.04935	1.5
210.06891	1.5
223.06081	3.2
237.07745	2.3
269.08286	1.5
291.06442	0.9
305.10406	1.1
319.08423	1.3
334.06973	1.7
349.09271	100.0
350.09509	2.0
367.10251	17.4
386.45947	1.0
397.11584	1.2
498.06601	1.0
543.15125	36.8
543.22931	1.9
544.15271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.5
61.98827	5.0
63.33680	0.9
67.86128	0.8
68.99753	0.7
69.03439	2.3
69.08025	3.9
69.99108	0.8
71.01375	8.8
73.02932	2.8
78.95898	1.4
82.95404	1.1
83.01402	1.3
83.05020	0.9
85.02953	2.7
87.00861	1.9
88.98810	0.9
89.02437	6.3
93.03424	1.9
96.96037	1.4
97.02929	0.8
101.02430	4.5
109.02940	1.1
111.00831	1.2
111.04469	1.5
113.02438	7.1
114.99074	0.8
115.04028	1.0
116.92829	2.2
118.98043	0.9
119.03480	2.5
121.03011	0.8
122.06104	1.2
124.12787	0.9
131.03516	1.5
134.03740	55.8
135.04529	1.3
136.01634	1.0
137.02466	4.4
139.04054	3.8
147.04517	1.3
149.06076	30.3
150.03230	1.0
151.03943	1.3
153.01990	0.9
161.04565	2.7
162.05609	2.4
163.04031	0.9
167.03494	0.8
173.04556	2.8
178.02707	20.0
179.05469	1.6
191.05585	4.7
193.03273	1.8
193.05052	36.3
209.11850	3.7
213.07712	1.0
249.07721	1.0
250.04843	0.8
267.08719	2.2
267.15982	1.4
275.89563	0.9
429.13968	100.0
430.14200	2.7
443.67828	0.9
453.21234	0.9
499.16718	1.5
543.18256	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	543.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14486	2.8
59.01375	84.8
61.98814	7.3
69.12197	14.7
71.01382	45.3
73.02930	3.8
76.54518	2.2
83.69893	2.1
85.02946	6.8
87.00870	3.0
89.02442	78.2
93.03418	2.9
95.01382	3.2
101.02443	28.3
113.02441	22.5
119.03480	21.1
131.03638	2.4
132.33617	2.6
143.03487	8.4
149.04524	3.0
161.04549	13.0
173.04480	3.6
179.05615	84.8
184.88583	3.1
190.09962	42.0
191.05673	3.3
205.12292	21.1
301.18076	100.0
302.18637	3.3
543.19879	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	543.2023
Annotation	Nobilin E
Peak:m/z	Relative Intensity
50.39611	1.3
52.45218	1.2
54.78212	1.2
60.64502	1.3
61.98822	3.2
69.83983	3.1
69.84347	2.7
78.95880	6.3
84.04765	1.4
108.02119	4.6
109.02923	5.0
121.02964	8.6
122.03725	20.0
134.03737	1.6
135.04497	1.7
136.05226	2.3
137.02371	2.1
141.83740	1.4
152.99544	5.9
155.08548	1.9
159.04524	1.8
163.03992	1.8
170.89223	3.1
173.05966	2.3
185.05946	3.0
187.07585	1.5
187.67120	1.4
197.06030	2.8
198.54698	1.4
199.07565	4.7
213.05597	10.1
214.06258	3.4
215.07030	2.4
224.02811	1.4
225.05502	2.4
227.07137	9.1
229.04982	3.5
241.04865	4.7
243.06699	10.0
243.10223	47.4
253.05020	2.3
256.07205	1.8
257.11725	8.6
258.08817	2.3
271.06128	2.7
271.09534	5.5
287.10715	2.7
299.09238	23.4
305.11765	1.9
315.10098	4.8
316.11041	2.1
317.11523	3.8
333.11179	2.2
355.95862	1.6
364.12759	1.5
365.13934	1.7
467.18277	5.5
499.20615	2.4
515.20502	5.5
525.19513	1.7
543.19952	100.0
544.20245	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	543.236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	32.7
64.63085	27.4
69.04701	100.0
69.05122	53.6
77.37753	22.3
82.19041	21.1
129.01778	27.9
137.02415	35.1
164.15556	22.6
191.94362	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06110	0.2
56.56755	0.3
59.01378	15.9
60.01712	0.8
61.98828	100.0
70.62829	0.5
71.01376	1.9
73.02955	0.8
84.95109	0.3
85.02975	0.9
87.00870	0.3
89.02454	0.7
93.03483	1.0
99.00909	0.3
101.02453	1.1
106.04235	3.0
113.02439	1.4
119.03521	0.3
121.84155	0.3
139.04039	0.8
150.03273	0.5
161.04576	0.5
161.09708	7.7
161.13283	0.6
162.13815	0.4
173.04605	1.0
176.41847	0.2
187.11284	2.8
188.11586	1.3
191.05569	1.5
199.59564	0.3
205.08687	31.0
205.12450	1.1
206.09122	0.3
206.12657	0.5
231.07320	0.3
251.11336	1.8
252.11754	0.8
297.70282	0.3
304.54053	0.3
353.14038	0.6
367.13968	1.8
371.15192	0.4
440.23779	1.0
481.17401	0.5
484.22742	0.4
523.70129	0.3
543.24219	0.3
543.32281	0.4
544.24335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98830	100.0
64.00819	0.6
76.62532	0.5
82.68296	0.7
93.72141	0.6
116.88956	0.6
140.42410	0.6
165.27020	0.6
182.00554	0.7
188.21143	0.6
199.98851	0.7
273.05695	0.6
442.84625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.2
56.99070	1.0
58.02974	1.7
59.01375	29.0
61.98833	7.8
68.28822	1.1
69.03450	2.0
69.12656	3.2
69.13081	4.4
71.01381	8.9
72.99285	1.3
73.02923	5.2
81.95200	1.0
82.02948	1.4
82.95406	1.2
83.01389	4.4
85.02946	4.7
87.00877	9.0
88.04047	1.0
89.02426	8.2
93.03448	1.2
97.02924	3.2
99.00885	1.2
100.04044	35.9
101.02443	29.5
109.02918	1.9
112.04041	5.8
113.02431	1.9
114.05617	1.2
119.03512	17.1
120.04557	2.6
122.02470	4.3
125.02442	26.2
128.03505	2.0
130.08688	2.9
136.03966	1.2
138.05634	1.7
140.03531	1.5
142.05084	4.5
143.03494	5.3
143.10803	5.8
146.06139	1.4
148.04056	3.8
150.05606	1.3
157.52715	1.4
160.01538	1.4
161.04539	3.0
166.05106	6.1
175.03917	1.9
179.05618	2.7
184.06123	7.0
191.05583	7.4
202.07220	15.1
208.06136	2.9
220.08194	1.3
226.07028	1.5
237.07690	2.2
266.82913	1.1
303.19818	1.3
304.10229	1.2
314.74017	1.2
347.18762	5.6
347.24292	1.5
364.12466	100.0
365.13223	1.5
382.13556	36.6
442.45300	1.2
475.18445	1.2
507.47147	1.1
508.23914	43.0
509.24020	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	544.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49823	0.4
59.01374	0.6
61.95701	0.4
61.98824	100.0
69.20453	2.0
79.18199	0.3
102.28316	0.4
125.98374	0.4
173.35217	0.4
175.09886	0.3
191.05582	1.1
226.85895	0.4
258.12189	0.8
282.26538	0.3
331.44489	0.3
517.33588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14780	0.5
53.01788	0.5
54.83342	0.5
59.01377	15.0
60.99302	13.9
61.98828	0.9
64.09362	0.6
67.01868	0.7
69.03456	0.8
69.44758	1.0
69.45158	1.5
71.01376	3.4
73.02944	2.0
76.43606	0.4
82.95393	0.5
83.01373	1.0
84.95146	1.1
85.02950	3.6
87.00879	4.6
87.04549	0.6
88.98803	100.0
89.02450	3.0
93.03465	4.4
96.96008	1.4
97.06565	0.7
101.02459	4.0
111.04542	1.3
113.02398	3.0
119.03506	1.4
123.24915	0.5
126.50994	0.5
127.04029	0.5
131.03502	0.7
135.04602	0.6
136.69060	0.5
139.04022	1.3
143.03555	0.7
147.12898	0.5
149.04492	0.6
151.07643	1.9
161.04541	1.9
161.13351	0.7
173.04561	7.4
177.01854	2.6
187.11238	0.8
191.05592	22.0
194.32787	0.5
205.12390	1.1
211.07716	0.8
222.37679	0.6
225.09241	2.2
227.10812	0.7
239.07118	1.0
239.10767	0.7
253.08871	1.7
254.09479	1.2
255.14006	1.1
280.11002	0.8
283.13412	4.2
295.10141	0.8
298.12094	0.9
309.14923	1.9
311.12863	3.2
327.12317	2.1
327.16037	5.5
353.13965	7.1
371.15027	8.6
431.22772	1.6
483.33368	1.1
501.34467	2.2
528.22632	0.8
545.21521	4.1
546.22955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
57.03432	3.6
58.00579	0.9
59.01377	64.8
61.98833	5.7
66.01504	0.9
69.03439	3.8
69.41577	4.2
71.01379	67.9
72.01756	1.2
72.99310	2.4
73.02947	21.0
73.03355	1.1
73.42024	0.9
75.00870	1.3
80.91676	1.3
81.03420	2.1
82.95407	3.0
83.01383	9.3
85.02950	27.3
87.00865	3.9
87.04493	1.3
88.98786	1.3
89.02438	25.7
93.03444	2.1
94.98083	1.0
95.01394	5.7
95.05017	1.1
96.96005	11.7
97.02934	5.0
97.21393	0.8
99.00881	8.4
99.04535	1.2
101.02438	58.0
109.02958	2.6
111.00886	1.6
111.04518	2.1
113.02450	37.6
113.06084	2.4
115.03998	2.0
116.92834	1.7
119.03509	8.8
123.04483	1.2
125.02447	4.6
126.90353	1.7
127.07578	1.0
127.90681	1.1
129.01938	1.4
131.03470	3.1
134.03763	5.5
135.04196	0.9
137.09718	1.5
139.03999	4.1
143.03558	4.6
145.49287	1.0
149.04538	1.0
149.06082	2.5
153.01852	2.1
155.03448	1.0
159.02953	4.4
161.04553	27.9
165.05539	1.8
173.04529	2.3
178.02632	1.9
179.05644	6.2
179.06915	1.0
191.05582	14.5
191.10802	5.5
192.06023	1.6
193.04941	2.5
195.02747	3.7
203.16556	0.9
209.11864	1.4
225.03778	1.6
233.06659	1.4
269.10294	26.4
269.17795	2.3
284.03076	1.0
293.08820	6.5
340.86707	1.0
349.18591	0.9
383.13770	1.8
385.93362	1.2
387.12994	2.8
419.52859	1.0
430.14151	2.3
431.15424	100.0
431.22662	19.6
432.15515	3.0
432.22849	1.0
485.19867	1.5
544.07715	1.0
545.19519	2.2
545.26520	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	545.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49261	1.0
59.01377	47.3
61.98816	0.9
70.48249	0.8
71.01379	31.0
72.00901	3.3
73.02939	1.3
74.02472	6.6
83.01369	1.3
85.02956	4.7
87.00864	1.9
89.02441	45.0
95.01390	1.7
95.55119	0.9
96.95992	3.0
96.96967	1.1
97.02919	1.1
101.02436	15.4
107.13651	1.0
113.02449	13.3
113.10126	0.8
113.89730	0.9
116.05071	20.0
119.03489	14.7
131.03487	2.6
142.06638	6.8
143.03485	3.8
149.04536	1.7
159.09262	3.0
161.04590	4.3
179.05598	22.4
183.73351	0.9
191.05569	1.5
203.08257	35.3
204.08562	1.1
341.10864	100.0
342.11154	1.5
419.93665	1.1
515.45782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01377	22.9
60.99302	2.5
61.98832	0.9
67.01893	6.5
69.03445	2.1
71.01388	6.8
73.02934	1.3
73.79443	0.7
75.34013	0.6
80.18657	0.5
81.03458	1.3
83.01385	1.2
83.05006	2.4
84.02187	0.7
85.02950	12.8
87.00873	17.5
89.02440	1.7
93.03454	42.4
95.18037	0.5
97.02941	0.8
98.22708	1.0
99.00867	1.1
99.04508	0.9
101.02438	3.2
109.02932	1.3
110.94915	0.6
111.00869	1.0
111.04525	7.5
113.02454	2.9
127.04016	2.9
129.01930	1.3
137.02420	3.7
138.02924	0.6
154.02731	1.9
155.03476	2.9
155.04761	0.6
158.03729	1.5
158.07416	1.4
159.03308	0.6
159.04488	3.5
161.04565	1.2
171.02951	1.7
171.04416	1.0
172.05321	2.6
173.04555	63.7
173.06015	4.7
174.04871	0.6
174.06798	2.3
177.01938	1.4
182.03677	0.9
183.04547	1.5
185.06116	0.6
186.06848	7.5
187.07631	8.7
189.04010	0.8
189.09189	2.3
191.05603	100.0
192.05925	1.5
199.04027	1.4
200.04790	5.0
200.08253	0.8
201.05577	7.5
201.07336	0.9
201.09282	4.9
201.11115	1.1
202.06178	0.7
211.07625	2.7
212.08421	1.9
213.09213	0.9
214.06300	7.6
215.07124	35.7
216.07555	0.9
227.03496	1.4
227.07138	1.3
228.07713	0.8
229.08665	12.5
230.09433	3.5
231.06715	0.6
231.10309	1.5
232.05835	0.8
233.06610	1.9
255.06641	2.1
255.13904	0.9
256.07382	10.9
273.07803	0.9
274.08481	4.3
309.14996	1.3
309.20752	1.4
311.12863	1.3
327.16089	1.6
353.14023	3.0
371.14993	9.5
372.15186	0.6
485.31268	4.9
503.32062	3.0
527.19464	0.7
527.27985	1.8
545.20282	28.4
545.28510	1.8
546.20850	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	545.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
55.23444	1.7
57.03445	4.3
59.01378	100.0
61.43499	1.8
61.98836	9.5
64.59590	1.7
69.03454	7.0
69.12134	10.0
71.01384	81.1
71.68427	1.7
72.99326	2.6
73.02943	23.3
75.00879	3.6
81.03467	3.5
83.01385	10.2
85.02952	30.7
87.00896	4.4
89.02442	63.9
93.03458	3.5
95.01392	4.5
96.96010	45.2
97.02964	8.4
99.00879	14.8
101.02446	58.6
109.02950	2.5
111.00872	1.9
113.02445	32.4
115.04080	3.9
119.03506	8.8
125.02442	23.1
129.01924	2.9
131.03511	7.3
133.05063	5.4
134.03772	2.5
139.04028	2.4
143.03505	4.8
149.04561	13.2
149.05611	2.2
149.09653	1.7
153.01953	2.1
157.06592	3.4
159.03030	4.0
161.04561	23.4
173.04514	3.1
173.09666	3.1
179.05594	5.7
179.07118	1.8
191.05629	21.2
191.10777	47.8
206.80238	1.6
233.06636	17.4
235.45834	1.6
269.10327	27.3
293.08783	62.5
383.00958	4.7
431.15543	76.0
431.22644	11.6
431.71860	1.7
432.16364	1.9
447.09366	2.0
485.20328	5.8
507.28107	3.2
509.29089	3.1
545.18127	5.8
545.25867	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	545.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14926	0.3
61.98828	100.0
62.98518	0.3
69.25523	0.5
69.25927	1.1
78.95902	8.4
78.97266	0.3
84.51340	0.3
88.98827	0.5
96.96004	2.0
96.96978	0.8
110.98523	0.3
152.99599	5.7
192.98869	1.6
196.89500	0.3
243.76505	0.3
279.23328	0.9
283.73441	0.3
333.19858	0.2
363.08121	0.3
433.23621	0.7
455.21869	1.6
545.16302	0.4
547.85785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3119
Annotation	Westiellamide
Peak:m/z	Relative Intensity
57.80379	0.5
59.01379	2.5
60.14868	0.4
61.98814	1.2
70.25578	0.5
70.99483	0.7
71.01393	0.5
73.08584	0.4
77.03974	0.6
78.95899	5.3
89.02457	0.7
91.03989	1.6
92.88989	0.4
95.04997	2.4
96.95982	2.3
96.96991	0.5
104.93690	0.5
105.03461	9.1
116.92865	0.6
117.03450	0.9
121.02971	0.8
123.04470	0.7
132.02177	6.1
133.02959	36.3
134.03749	16.8
135.04532	4.5
137.02423	3.5
139.04050	0.9
147.04489	0.9
148.05272	3.3
149.06053	1.2
150.03198	0.5
152.99573	4.5
153.26518	0.5
160.01654	32.3
161.01065	0.9
161.02441	18.7
161.06100	4.3
162.03210	2.1
171.04443	0.5
175.03996	70.5
176.04335	1.3
177.01924	2.0
178.02750	3.4
179.03487	3.1
190.10030	1.5
191.95326	0.4
192.98869	0.9
193.05043	5.8
194.02318	0.5
202.37062	0.5
205.05023	0.6
233.08304	1.2
247.09753	1.4
266.60138	0.6
268.32327	0.5
287.12842	3.8
295.22763	8.1
297.14978	0.8
301.14526	0.7
311.16434	0.7
313.14587	0.5
327.16022	5.0
337.18210	0.6
341.17667	3.0
351.19897	0.8
369.20450	0.8
371.25732	2.3
383.22537	0.8
385.27591	3.6
432.56125	0.6
439.24878	6.4
453.26453	20.1
454.26730	0.9
455.21875	1.1
457.25995	1.3
463.56607	0.5
471.27484	31.2
472.27792	1.5
530.28992	1.8
545.31158	100.0
546.31677	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	546.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28333	0.4
53.61938	0.5
55.01871	0.6
56.12403	0.5
58.02971	1.0
59.01362	1.3
61.98817	1.9
69.07114	2.6
69.07526	1.2
70.99610	0.7
71.01391	0.7
73.37818	0.5
74.02477	3.1
74.24954	0.6
75.29993	0.5
86.02449	1.5
90.77306	0.5
96.96016	7.6
96.96951	0.9
97.95901	0.5
98.22713	1.2
99.05640	2.8
100.00446	1.1
109.04036	0.5
109.47771	0.5
110.01944	7.7
113.03586	0.6
113.64838	0.5
126.01428	3.7
128.03545	10.0
135.05634	1.3
138.84329	0.5
140.09956	0.5
143.04620	9.6
146.04588	1.6
153.00154	2.0
153.06715	0.9
153.99666	1.2
154.00941	21.9
155.99847	0.6
160.00758	3.3
161.02440	2.4
166.09831	0.7
167.04572	0.6
173.04559	1.1
177.03445	0.9
179.04616	3.2
182.00426	33.4
185.05763	0.6
191.05583	0.6
197.05675	1.0
210.08908	2.9
211.07634	10.7
218.91171	0.6
239.07158	14.1
240.07747	0.6
241.08768	1.2
245.06410	1.0
248.53291	0.6
249.05356	0.9
254.07780	5.0
257.08185	2.3
264.61423	0.6
268.09784	0.7
270.11365	1.9
272.08838	11.3
273.05899	100.0
274.06226	2.5
275.07349	0.7
282.11346	0.6
288.06598	2.2
296.09241	1.7
306.07635	27.2
546.15771	0.8
546.33160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05878	0.2
59.01392	1.3
61.98829	100.0
67.60791	0.2
69.47775	0.5
71.01382	0.8
73.02966	0.2
82.95408	0.4
89.02460	0.9
93.03474	0.3
94.86854	0.2
96.96023	0.6
98.22583	0.4
101.02449	0.5
113.02434	0.3
119.03585	0.3
128.90184	0.2
136.53215	0.2
161.02507	0.4
164.91611	0.2
191.05649	0.4
202.39084	0.2
220.59517	0.2
233.06264	0.2
247.06068	0.3
379.53458	0.3
384.59442	0.2
446.02454	0.2
455.55460	0.2
483.12643	0.2
483.18500	1.4
485.66299	0.2
490.14990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.7
59.05320	0.4
61.98827	100.0
67.23356	0.4
71.41957	0.6
116.92877	1.6
133.02975	0.5
138.08839	0.5
154.28017	0.5
174.57898	0.5
191.05675	0.7
295.45947	0.5
462.27484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22845	0.2
57.68396	0.2
59.01376	4.2
61.98828	100.0
66.30299	0.3
68.97298	0.3
69.03457	0.3
71.01398	1.9
85.02946	0.6
87.00891	0.6
89.02447	2.6
92.28155	0.2
93.03482	0.5
94.18697	0.2
95.08971	0.2
97.06779	0.2
101.02464	1.0
111.04538	0.2
113.02472	2.2
119.03519	0.9
135.04651	0.4
137.09798	0.3
143.03532	0.5
143.75993	0.2
161.04605	0.8
173.04483	1.2
174.04913	0.3
174.13426	0.2
179.05612	2.4
191.05594	1.6
192.06032	0.5
203.46179	0.3
226.70622	0.3
312.13315	0.3
354.14282	0.7
369.19254	0.4
372.15561	0.8
403.32599	0.3
468.23801	0.3
483.22595	0.5
483.64685	0.3
546.21088	0.3
546.29266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
60.28488	0.2
61.98827	100.0
69.03462	0.2
69.78835	0.2
70.09656	0.2
71.01373	2.0
73.02952	0.2
83.55045	0.2
85.02954	1.2
87.00880	1.0
89.02435	1.8
93.03461	0.8
94.03859	0.2
96.96023	0.5
98.22639	0.3
101.02482	1.0
111.04588	0.2
113.02437	2.2
119.03484	0.8
127.04036	0.2
135.04529	0.3
143.03551	0.3
161.04555	0.6
161.05722	0.2
173.04549	1.4
174.04941	0.5
179.05597	2.1
181.96561	0.2
191.05606	3.7
192.05920	1.1
214.06451	0.3
215.06767	0.2
230.09467	0.2
293.08884	0.2
328.16409	0.3
353.14008	0.3
354.14261	0.9
369.19211	0.2
371.15109	0.4
372.15320	0.8
502.30374	0.2
546.06781	0.2
546.20856	0.5
547.18060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03738	2.7
53.19498	2.1
59.01376	18.5
61.98820	4.4
67.72864	2.4
69.34364	11.2
71.01388	3.3
72.99295	2.5
85.79685	2.1
89.02448	17.3
89.02912	3.2
91.04001	100.0
93.05320	2.3
97.64081	2.2
118.12517	2.2
227.06679	2.7
293.28534	55.9
295.55725	2.6
337.27469	37.1
355.28439	46.9
396.11707	2.8
396.58182	2.5
411.31107	65.5
429.32202	91.4
430.32538	3.5
503.81592	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	546.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56487	3.5
56.01015	3.4
59.01366	16.8
61.98818	12.6
71.10896	4.2
78.95893	10.4
89.02447	14.4
89.69512	3.0
91.04005	100.0
110.70608	3.7
147.09488	4.1
167.72075	3.3
189.31253	3.3
193.90747	3.9
269.05273	4.0
277.21765	7.7
281.24841	13.0
293.28500	43.0
310.65201	3.5
337.27490	36.5
355.28491	43.4
411.31201	65.7
429.32150	92.9
430.32260	7.3
441.19492	3.5
452.46039	3.7
478.29208	9.9
557.94196	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	547.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.3
65.09570	0.8
67.35043	0.8
68.20591	0.8
69.17297	1.8
69.17718	3.9
71.01366	3.8
78.95900	73.9
96.95999	3.7
96.96945	1.0
98.95596	3.8
99.92583	24.9
99.93249	1.4
100.93341	5.1
104.97454	0.8
105.03435	2.3
110.86700	0.9
110.98536	16.1
115.92065	9.5
116.92858	14.8
132.02194	1.0
133.02953	10.0
134.03702	2.6
135.04622	1.1
137.02481	0.9
148.05305	1.4
148.90953	1.2
150.97993	2.5
151.01637	2.3
151.26903	0.8
152.99551	1.4
154.94496	1.3
155.95113	1.8
160.01660	9.2
161.02429	5.4
163.89676	5.0
164.90533	6.8
164.99535	6.3
167.01123	7.3
172.95496	1.0
175.04004	19.4
178.01337	1.0
178.02727	1.8
178.88423	17.4
179.89206	23.5
180.89995	17.3
181.90779	6.5
193.05101	1.9
193.90765	39.9
194.91573	19.2
195.92238	1.6
196.89478	66.3
197.89485	0.9
210.91032	8.9
235.91794	1.5
236.92647	2.2
247.09822	0.9
248.92577	2.0
249.93414	4.4
250.94238	5.9
252.92032	3.3
266.93689	5.4
267.94427	4.0
279.23297	10.2
296.77518	0.9
297.24304	1.7
343.19138	1.4
379.15591	1.3
441.26401	1.9
447.25250	1.4
455.09335	0.9
455.28098	5.2
456.12985	1.1
459.27338	0.9
473.29062	11.0
499.15347	1.8
526.70264	0.9
529.16595	16.0
530.17444	1.8
531.14313	1.2
543.14227	6.7
547.17706	100.0
547.32428	41.3
548.17828	4.6
553.15723	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	547.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24951	0.5
52.09450	0.5
54.22960	0.5
56.11238	0.6
59.01373	4.2
61.98824	3.1
67.01894	0.7
70.59486	1.2
71.01377	2.8
72.77765	0.5
73.02946	1.3
75.95292	0.5
81.03441	1.3
82.95448	0.7
83.05011	1.3
85.02961	3.9
85.78369	0.6
87.00861	0.9
89.02428	1.5
93.03457	6.2
101.02428	1.4
102.26836	0.5
108.02176	0.9
109.02953	2.4
111.04517	4.3
113.02413	1.1
113.44252	0.6
121.02962	5.3
123.04552	1.1
127.03996	0.9
129.01958	0.9
134.03748	5.9
135.04543	3.8
136.01662	73.5
137.02417	0.7
144.35825	0.5
145.02953	1.0
149.06088	5.1
151.04007	100.0
152.04344	1.3
155.03464	4.1
156.01549	0.6
158.03844	0.7
159.04495	3.2
161.02409	1.6
161.06104	1.5
162.06863	20.7
173.04547	20.6
173.06029	0.5
175.07657	1.6
177.09244	1.4
191.05606	9.2
221.08179	16.2
221.10219	1.3
222.08598	0.6
234.71791	0.6
265.08664	0.6
281.08179	6.6
281.84323	0.6
295.09784	1.1
296.10477	9.8
311.12888	18.2
325.10739	1.7
341.10675	0.7
355.11810	1.4
373.12909	70.5
374.13318	1.4
395.13577	2.4
547.18256	2.5
547.26929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66858	0.6
57.03432	1.1
59.01378	18.1
60.99303	14.4
61.98830	1.4
63.15979	0.6
69.03453	1.0
71.01377	9.1
73.02948	2.0
75.00852	0.7
83.01378	0.9
85.02941	4.6
87.00876	1.9
88.98802	100.0
89.02437	8.1
93.03466	0.7
95.01428	0.7
96.95998	3.3
99.00918	0.7
101.02449	6.5
101.13499	0.6
111.00883	1.0
113.02455	7.4
117.05588	1.2
119.03474	2.8
124.56168	0.5
131.03497	0.9
139.04008	2.0
149.04553	0.7
159.02864	1.2
161.04552	2.0
161.09717	1.0
162.34027	0.6
173.04507	0.7
179.05545	1.3
187.11304	1.2
191.05605	3.0
197.32512	0.6
205.12434	0.9
271.18988	0.9
297.11935	0.9
357.40417	0.6
433.24692	11.8
473.88409	0.6
495.84799	0.7
547.24286	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98808	8.9
69.03461	6.0
71.01378	67.9
73.02937	7.1
81.03431	4.0
83.01382	2.8
85.02950	13.8
87.00859	5.2
89.02440	75.7
95.01356	4.3
96.95996	3.9
97.02939	4.9
101.02451	23.2
113.02470	14.3
115.03962	2.7
119.03524	4.1
125.02441	21.0
131.03477	21.5
135.04510	5.6
143.03502	3.8
146.06131	2.9
149.04538	36.8
161.04568	3.3
163.04007	39.6
173.04536	2.8
178.06364	34.8
191.05605	13.5
193.08675	25.7
221.35011	2.9
293.08786	43.1
349.20218	6.7
365.12912	3.4
376.24893	2.8
384.70084	2.8
424.37024	2.4
433.99777	2.7
463.24567	2.5
484.31433	3.7
493.24786	3.1
547.28027	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	547.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73527	0.6
55.51770	0.5
59.01460	4.6
59.80035	0.5
60.96803	0.5
61.98917	3.5
69.11848	1.5
69.12278	2.0
71.01103	0.6
71.01453	1.3
82.95486	1.2
84.95243	0.5
89.02529	0.7
103.01602	1.5
130.46936	0.5
134.03877	2.2
136.01779	0.7
137.02565	1.5
146.06235	0.6
149.06197	0.5
178.02826	1.1
191.05673	1.2
192.04277	3.2
193.05034	4.5
197.02194	5.4
206.67487	0.6
209.04643	0.7
234.80980	0.6
265.17975	0.6
300.93372	0.5
303.19693	2.1
313.10794	0.6
343.11954	1.4
349.20166	100.0
350.20468	3.1
353.10272	0.6
432.81003	0.6
547.22833	20.1
548.23529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48125	1.2
59.01378	100.0
61.98827	2.2
63.34635	1.0
63.53077	1.1
69.03448	1.9
71.01389	3.5
71.41965	1.2
89.02441	2.3
96.80599	1.1
96.96005	2.3
101.02442	2.3
109.02907	2.1
116.92822	3.3
123.04528	1.5
141.00558	3.3
141.01700	75.4
151.04057	1.6
161.02451	2.0
164.04744	2.5
177.03349	1.3
181.05086	4.1
190.02785	1.5
191.05652	1.9
208.03694	2.4
208.14893	1.1
223.06065	6.0
249.09782	3.9
265.07214	1.4
295.08206	3.8
325.09363	2.1
340.09772	1.2
427.18091	4.7
487.20145	5.0
547.23730	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03436	4.0
59.01377	73.6
59.64859	0.9
60.99308	4.8
61.98798	1.3
65.00835	1.0
65.39613	1.1
66.12711	1.0
69.03436	2.5
70.68504	1.3
70.93077	1.0
71.01379	35.6
73.02939	9.0
75.00861	2.0
81.03410	1.3
83.01372	2.4
83.05004	3.2
85.02949	12.2
87.00871	6.1
87.04515	2.2
88.98804	33.4
89.02439	30.6
89.99139	1.1
90.98569	3.1
90.99146	1.5
93.03468	2.4
95.01352	1.8
96.95989	3.7
97.06566	2.8
99.00854	2.7
99.04543	1.7
101.01798	1.7
101.02438	25.4
106.98064	1.0
107.05003	6.2
113.02451	22.2
119.03506	11.6
120.05767	3.5
131.03497	1.9
135.04480	4.3
135.06645	6.5
135.11787	1.2
139.04002	2.2
141.58679	1.0
143.03474	3.8
149.04529	2.5
159.03008	1.8
161.04573	10.6
161.08521	1.4
161.09714	8.6
161.13335	5.4
163.11237	2.8
173.04504	1.5
179.05635	6.9
179.10707	2.6
187.11275	12.2
189.09207	8.2
191.05608	4.7
205.12326	7.3
207.10330	5.5
223.13362	1.4
237.09811	6.1
249.11308	8.3
271.19058	2.7
279.10898	1.4
297.11902	8.1
433.24863	24.1
503.24594	1.6
529.22516	2.5
547.23767	100.0
548.24457	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03442	3.9
59.01379	63.2
63.99282	0.7
64.57286	0.7
69.03441	5.3
69.24394	4.3
69.24696	0.9
71.01379	34.0
73.02943	7.2
73.16232	0.7
79.05541	0.8
81.03448	1.0
81.68571	0.9
83.01385	2.3
83.05019	1.8
85.02946	12.4
87.00879	5.5
89.02444	33.7
93.03422	1.0
95.01364	2.5
96.96010	5.1
97.02957	0.8
97.06573	2.2
99.00880	2.2
99.04506	1.0
101.02441	21.8
107.05029	5.2
109.02883	1.5
113.02443	26.9
115.04005	0.9
119.02779	1.0
119.03511	13.7
120.05767	3.0
131.03459	2.9
135.04507	3.6
135.06636	7.4
141.05559	0.8
143.03459	2.9
149.04561	3.9
149.09631	0.8
159.02956	1.7
161.02449	0.9
161.04543	9.7
161.09708	11.1
161.13344	4.8
163.11224	2.4
179.05595	8.5
179.10768	1.8
187.11275	13.3
189.09193	9.1
191.05536	2.0
198.10490	0.8
203.10695	1.3
205.08650	0.8
205.12329	6.9
207.10260	5.1
249.11241	8.1
267.12280	1.3
271.02020	0.8
271.19113	2.1
279.10837	0.8
297.11847	9.2
385.11127	0.9
433.24423	45.5
434.24609	1.6
547.23828	100.0
548.24017	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	547.2678
Annotation	Eupenifeldin
Peak:m/z	Relative Intensity
51.13566	13.1
59.01376	44.0
61.98830	18.0
69.19315	67.3
69.62399	14.0
87.92216	17.7
93.03461	26.2
113.33095	13.6
122.92358	16.0
150.24774	13.4
171.10222	16.6
173.04533	61.4
191.05606	35.5
195.67363	14.6
209.11798	72.4
311.22342	100.0
487.83914	15.2
547.27161	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.00996	0.9
57.03442	2.3
59.01379	74.1
60.01711	1.1
61.98810	1.8
67.36937	1.0
69.03461	7.1
71.01379	45.4
71.43008	1.1
72.99291	1.0
73.02947	7.6
80.64246	0.9
83.01369	3.6
83.05018	1.3
84.95105	1.3
85.02953	13.3
87.00869	3.8
87.04498	4.3
88.98809	5.7
89.02442	43.6
95.01385	2.8
95.26308	1.0
96.96000	4.0
99.00867	2.9
101.02436	27.8
109.01018	1.0
113.02445	45.6
119.03506	21.9
125.02448	1.3
131.03474	2.6
139.04056	1.5
143.03499	4.5
149.04457	2.3
159.03024	1.6
161.04541	11.6
173.94687	1.0
179.05634	11.6
191.05602	2.3
205.12305	1.3
271.19028	6.4
297.08371	1.8
341.02863	1.2
415.23456	1.1
433.24399	100.0
434.24835	2.5
444.33939	1.1
547.26715	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
62.11982	0.5
62.82158	0.5
67.31408	0.6
69.13272	1.9
69.13675	1.2
71.01382	1.0
77.03985	1.0
78.95901	9.9
89.02443	0.8
91.03996	1.8
95.05022	2.1
96.96021	1.0
97.08722	0.5
98.22401	2.2
98.95616	0.6
99.92601	2.9
100.93373	1.0
105.03458	9.0
110.98534	2.8
115.92074	0.8
116.92857	1.7
121.03028	0.6
123.04520	0.9
132.02156	5.2
133.02954	36.3
134.03746	15.3
135.04543	3.5
137.02444	2.3
139.04063	0.8
147.04507	1.1
148.05290	5.1
149.06076	1.4
158.07350	0.6
160.01654	29.2
161.02435	18.4
161.06032	3.5
162.03168	2.1
164.90547	1.6
164.99577	0.9
167.01151	1.4
171.08112	0.7
175.03996	69.2
176.04385	0.6
177.01938	2.2
178.02754	3.3
178.88417	3.2
179.03484	2.3
179.89215	3.1
180.89990	2.5
181.90742	0.8
193.05054	6.4
193.90775	6.5
194.91544	1.9
196.89468	7.0
204.11565	1.7
210.91156	0.7
214.92841	0.5
233.08250	2.4
237.49373	0.4
243.10379	0.8
247.09703	1.8
249.93216	0.6
250.94264	0.8
261.11417	0.9
275.12918	1.4
279.23270	1.7
289.14755	0.6
297.24310	9.7
315.16049	0.8
329.17438	1.7
330.18317	1.5
343.19131	4.0
353.20944	1.0
357.20676	1.0
371.22186	1.4
373.27747	1.3
387.29132	3.6
399.25583	0.8
441.26465	7.5
455.28027	18.5
459.27600	2.9
473.29068	30.2
474.29178	1.2
504.60074	0.6
529.16486	2.1
532.30475	2.3
543.14417	0.8
547.17719	11.7
547.32721	100.0
548.33118	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	547.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
59.12343	0.5
61.98819	1.8
69.32265	2.6
71.01368	0.9
77.03976	0.9
78.95436	0.6
78.95895	11.9
91.04013	1.6
95.05022	1.6
96.95977	1.0
98.22594	1.3
98.95588	1.6
99.92578	3.4
100.93345	1.3
105.03452	8.6
110.98510	3.1
115.92049	2.2
116.92844	2.8
121.02971	0.6
123.04483	0.7
132.02153	3.5
133.02954	26.4
134.03741	10.8
135.04526	3.2
137.02425	2.1
141.16702	0.5
147.04526	1.2
148.05299	4.6
149.02429	0.6
149.06071	1.4
150.03188	0.8
152.99561	0.8
158.07379	0.9
160.01649	24.0
161.02443	15.3
161.06082	2.9
162.03185	1.3
163.89650	0.6
164.90451	1.6
164.99545	0.8
167.01198	0.7
169.15948	0.5
175.03996	67.7
176.04327	0.9
177.01929	2.2
178.02725	2.6
178.88425	2.8
179.03535	1.7
179.89224	3.4
180.89996	3.0
181.90735	0.9
191.03549	0.5
193.05052	5.9
193.90741	5.6
193.92317	0.9
194.91591	2.8
195.92300	0.6
196.87677	0.8
196.89464	11.9
204.11530	0.8
210.91011	1.1
233.08176	2.3
247.09639	0.8
248.92551	1.1
250.94141	0.6
251.60060	0.5
261.11279	1.1
262.38492	0.5
266.93542	1.1
271.13812	0.5
275.12967	1.7
279.23343	3.5
297.24326	8.6
329.17346	0.9
330.18396	1.2
343.19168	4.6
353.20947	0.7
357.20535	1.0
371.22281	1.1
373.27359	1.3
387.29044	3.3
399.25351	1.1
441.26425	8.1
455.28018	15.2
459.27417	2.2
473.29034	28.9
474.29431	0.9
501.28268	0.9
529.16394	2.4
532.30371	2.2
543.14154	1.2
547.18805	14.6
547.32715	100.0
548.17706	1.1
548.33081	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14354	0.3
55.01883	1.3
57.03448	2.3
58.00587	0.3
59.01378	100.0
60.01709	0.5
61.98830	3.2
67.01889	0.5
69.03458	1.2
69.10056	1.8
69.25198	0.3
71.01381	15.9
71.05011	0.4
71.61537	0.3
72.01740	0.4
72.99292	0.5
73.02946	6.6
75.00880	0.6
77.91745	0.3
81.19654	0.3
83.01384	4.3
83.05025	0.4
85.02950	10.9
85.06603	0.6
86.00111	0.8
87.00873	2.7
89.02444	1.4
93.03460	2.9
94.03799	0.6
95.01385	1.7
95.05000	0.3
96.96000	0.3
97.02970	1.4
97.06573	0.5
99.00907	2.2
101.02444	9.8
101.03104	0.6
111.00894	1.1
111.04543	1.0
111.08178	0.5
112.01677	0.9
113.02454	8.6
113.03247	0.4
115.04047	0.7
119.03513	0.5
124.01672	0.4
125.02465	1.3
129.01967	0.4
135.04514	0.5
137.02480	0.4
137.09740	0.3
139.04031	1.3
143.03468	2.6
155.03467	0.3
157.28616	0.4
159.03006	1.0
159.04349	0.4
161.04567	3.5
167.06326	0.6
173.04550	4.7
173.05965	0.7
174.04860	0.9
174.06825	0.3
175.04988	0.6
187.07704	1.4
189.09233	0.7
190.09596	0.4
191.05603	5.0
192.05983	1.7
193.06042	1.7
201.05304	0.3
202.06264	0.5
203.07161	0.4
207.17487	0.4
213.18604	1.0
214.06404	0.3
215.07137	1.0
216.07494	1.0
217.07787	0.6
225.18704	0.3
229.08745	0.6
230.09178	0.5
231.10295	3.0
255.23441	0.3
257.07672	0.4
258.07877	0.3
279.23306	2.7
307.26404	0.3
325.27420	0.7
343.28546	7.2
373.16388	1.0
385.29779	0.4
433.24521	0.8
439.30508	1.1
451.30637	1.0
457.31384	0.5
487.32748	47.4
488.33331	1.8
505.33853	32.8
506.33875	0.9
547.21289	3.4
547.31506	6.0
548.31818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09657	0.4
59.01371	1.4
60.19926	0.3
69.60867	1.3
71.01395	0.4
77.03083	0.3
78.95890	1.4
88.67015	0.4
91.04018	1.2
96.96009	7.6
99.29336	0.4
115.09679	0.3
117.03460	16.0
118.04247	1.9
119.05022	8.7
121.02971	1.3
138.24629	0.4
145.02948	100.0
146.03293	1.3
150.25526	0.4
162.03067	0.4
163.03986	6.4
172.36891	0.4
177.89674	0.4
182.76683	0.3
194.90025	1.2
281.24847	2.9
281.27689	0.4
286.68274	0.3
327.29050	7.3
359.92783	0.4
387.32654	7.3
411.32401	0.9
449.26675	0.8
455.31625	22.1
456.31641	0.6
473.32684	14.5
474.33093	0.9
547.19342	1.5
547.36395	45.5
548.36957	2.2
557.18066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01375	48.1
60.01704	0.8
61.98827	100.0
69.03439	0.7
69.96586	1.1
71.01380	13.1
73.02949	5.3
74.02470	8.0
75.00862	0.8
83.01389	1.1
85.02943	3.5
87.00873	1.5
89.02441	17.9
93.03465	1.4
95.01382	0.7
97.02967	1.3
99.00872	3.9
100.59267	0.5
100.93398	1.0
101.02444	8.5
107.05038	0.9
109.77377	0.5
113.02449	3.7
114.14149	0.5
115.04015	0.7
116.92876	1.0
119.03503	1.2
119.05003	0.6
119.83813	0.5
123.21409	0.6
125.02433	6.4
126.99561	3.1
131.03499	3.1
131.08698	0.7
135.04526	1.1
139.04028	1.4
142.04068	0.9
143.03488	0.5
144.38788	0.5
149.04538	11.8
151.03221	1.2
152.29839	0.5
155.03435	0.6
161.04581	1.5
163.04018	0.9
163.07690	1.2
165.04788	0.9
167.06322	36.8
168.05626	1.3
168.06891	0.6
173.04564	1.5
191.05586	3.2
192.05925	0.6
201.11407	0.9
211.05302	18.9
212.04590	1.1
225.06908	1.1
233.06641	2.5
253.06473	3.2
275.07751	1.1
283.07452	0.7
293.08810	6.3
369.55695	0.6
371.20657	0.8
389.09851	0.6
390.00720	1.3
399.23947	1.1
409.12311	0.6
441.24905	2.0
462.27069	0.8
473.27722	0.6
474.27954	0.9
487.33090	1.1
488.33209	0.8
504.28152	7.4
547.31476	1.8
548.31671	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	548.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40392	0.2
59.01366	0.9
61.98825	100.0
66.27940	0.2
69.16058	1.3
71.01397	0.2
75.72456	0.2
85.02962	0.3
93.03452	0.2
104.34661	0.3
106.98984	0.2
108.02166	0.2
113.02460	0.4
116.92833	0.3
117.95238	0.2
118.95602	0.2
123.04549	0.3
128.37648	0.2
152.01176	0.5
166.52043	0.2
167.03548	0.6
191.05635	0.3
193.05025	0.4
200.94327	0.2
223.99287	0.2
283.49146	0.2
289.57312	0.2
349.20279	0.5
350.20459	1.3
387.11142	0.4
394.61334	0.2
489.15027	0.2
548.22815	0.3
549.02692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04563	0.2
57.84138	0.2
58.54703	0.3
59.01377	1.6
61.98828	100.0
63.27650	0.2
71.01377	0.7
89.02467	0.5
93.03448	0.3
96.96030	0.4
98.21770	0.5
101.02428	0.3
108.02180	1.4
109.02956	0.6
113.26581	0.2
113.27381	0.2
116.92912	0.3
133.02974	0.6
137.02460	0.2
142.10016	0.2
147.08160	0.3
149.31265	0.2
152.01175	1.1
153.01997	0.5
160.84177	0.4
161.02464	0.5
173.04636	0.4
174.99226	0.6
191.05692	0.7
218.46704	0.3
285.43408	0.3
313.00043	0.5
315.07309	0.4
328.02249	0.6
343.04596	1.2
357.08270	0.6
549.16742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.3
58.60103	0.3
59.01378	30.9
60.01725	0.3
61.98829	100.0
62.55669	0.3
71.01376	2.5
73.02947	1.2
74.02493	0.6
83.01399	0.4
85.02935	1.6
87.00893	0.7
89.02454	0.7
93.03442	0.7
95.01423	0.3
99.00935	0.4
101.02436	2.0
111.00883	0.3
113.02469	1.6
116.62608	0.3
119.03510	0.5
135.04514	1.3
136.04866	0.3
139.04033	0.6
161.04597	0.6
173.04619	0.9
179.03529	0.6
179.05693	0.3
191.05684	1.3
192.06020	0.6
193.06172	0.4
232.10541	0.3
372.75641	0.3
399.23871	0.9
433.24677	0.3
434.24786	1.2
441.24973	0.8
488.33426	0.9
491.71609	0.3
504.28339	1.2
548.22156	0.6
548.32416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
60.99300	0.3
61.98827	100.0
62.21682	0.2
69.03452	0.3
71.01389	2.3
72.15516	0.2
72.63313	0.2
73.02948	0.4
83.01396	0.2
85.02956	0.6
86.03273	0.2
88.98795	2.5
89.02428	1.7
89.99134	0.2
96.96014	0.6
99.00884	0.2
100.93382	0.4
101.02455	1.2
113.02450	3.2
113.03163	0.4
114.02764	0.2
115.92085	0.5
116.92908	0.4
119.03513	0.7
126.01443	0.2
135.04532	0.3
139.04042	0.3
143.03554	0.3
161.04594	0.5
162.04823	0.2
167.91034	0.2
173.04556	0.3
179.05635	0.8
191.05659	0.8
314.33740	0.2
370.25537	0.2
371.20822	0.9
433.24515	0.7
434.24872	2.0
469.05646	0.2
471.12476	0.2
485.23929	0.4
506.03186	0.2
531.20068	0.2
548.30426	0.3
548.74768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	33.1
61.98829	100.0
69.16914	4.2
71.01381	4.1
73.02949	1.9
74.02477	1.2
85.02973	1.6
89.02435	1.0
93.03508	1.1
101.02457	2.6
113.02483	1.1
121.02956	2.3
125.39240	0.7
135.04492	1.0
151.07637	1.4
161.04599	1.2
173.04611	0.8
191.05670	1.5
255.10278	1.9
271.94394	0.7
273.11234	5.2
301.90036	0.8
351.54071	0.8
399.24228	1.2
488.32901	1.0
504.28833	1.3
506.34277	0.8
548.32416	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	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12803	0.3
56.72165	0.3
59.01380	11.1
59.33528	0.3
60.01715	0.4
61.98830	100.0
63.86269	0.3
67.56734	0.3
69.03477	0.5
71.01382	2.9
71.43749	0.3
73.02937	0.8
83.01403	0.3
85.02965	1.2
87.00883	0.6
89.02464	1.7
96.96036	1.1
100.93372	1.1
101.02465	1.8
112.43714	0.3
112.83568	0.3
113.02445	2.5
113.06100	0.3
114.50242	0.3
115.92079	1.8
116.07194	0.4
116.92886	1.0
119.03523	0.4
120.64599	0.3
123.35911	0.3
135.04549	1.2
137.02457	0.4
139.04034	1.1
161.04578	0.6
161.09689	0.4
165.93396	0.4
169.23476	0.3
173.04520	0.5
174.05060	0.3
179.05649	0.6
180.03757	0.3
187.07585	0.4
191.05588	2.0
192.05977	0.3
193.06038	0.4
206.09065	0.3
209.11833	0.9
210.12178	0.6
261.95728	0.3
275.84836	0.3
351.17136	0.4
364.20822	0.6
371.20773	1.4
374.17010	0.4
387.20505	0.3
390.00259	0.5
485.23917	0.6
489.29916	0.4
548.32654	2.3
549.32764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43295	1.6
59.01379	31.1
61.77489	1.7
61.98827	2.7
69.03439	2.4
69.13475	8.5
71.01384	17.0
72.01720	1.9
73.02939	3.6
73.51862	2.0
83.01405	2.1
85.02942	6.7
87.00863	4.6
89.02440	13.7
93.03492	3.3
96.96011	6.8
98.85799	2.0
99.00887	3.3
100.93370	4.8
101.02443	10.4
107.04934	2.2
108.02218	2.0
109.02975	3.2
111.00904	2.9
113.02468	9.8
115.92146	2.4
119.03514	5.5
135.04602	2.4
139.04034	2.2
148.01657	2.5
151.00377	11.2
160.95442	1.8
161.04517	3.7
164.07549	2.0
173.04614	2.5
178.99861	4.3
179.05603	2.3
182.33182	2.1
184.30414	1.9
191.05606	6.1
202.85843	1.9
207.03032	2.9
217.03616	2.3
224.53845	2.1
227.03467	2.5
243.02989	8.0
254.02051	2.1
254.77133	2.1
255.02994	25.3
271.02512	54.1
272.03003	2.2
276.21152	2.1
300.02750	100.0
301.03540	37.9
434.24716	2.7
463.08749	4.1
503.18597	2.2
503.25015	11.3
505.09885	75.5
549.29211	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	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97621	0.6
59.01140	0.8
59.01468	5.0
61.98626	0.7
61.98903	1.4
62.09284	0.5
69.25548	3.6
71.01482	1.9
73.03066	1.1
82.95498	1.2
83.01499	0.6
85.03050	0.6
86.26661	0.6
89.02493	1.1
93.03566	0.8
101.02576	2.1
107.01439	1.4
108.02312	4.0
109.03040	1.3
113.02502	1.2
119.03581	0.8
121.03111	1.3
123.04654	2.4
125.02637	0.6
133.02965	1.1
134.03725	4.2
135.01010	0.7
135.04617	0.6
137.02525	0.7
147.04665	0.9
148.01802	0.7
149.06169	1.2
151.00357	5.8
160.01787	1.2
163.00539	2.0
163.04117	1.1
167.03514	1.0
175.04140	2.0
177.02010	1.1
178.02698	4.0
178.99982	2.6
189.05644	1.0
191.05684	1.7
191.07222	0.9
193.05029	8.3
197.02231	5.3
197.03680	0.5
207.03012	1.7
211.04030	0.6
227.03673	2.6
229.05113	0.7
235.06232	1.5
243.02913	5.9
245.04573	1.1
254.02191	0.9
255.02939	18.1
269.04779	0.8
271.02472	33.4
272.03174	1.2
283.02521	0.8
284.07004	1.5
295.08380	0.8
297.11389	1.1
298.08557	0.9
299.09293	2.2
300.02731	63.9
301.03485	20.6
309.89218	0.6
313.10767	0.8
351.21747	100.0
352.22101	2.0
354.07294	0.7
369.09778	15.7
387.10797	4.3
429.11789	1.8
463.09177	3.2
489.13831	2.6
505.09869	45.9
506.10092	1.6
549.24390	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	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
59.01378	7.8
61.00423	1.4
61.98841	2.1
63.02422	0.4
65.00322	1.0
69.38816	1.7
71.01382	4.1
73.02938	1.2
82.95447	0.4
83.01382	1.5
85.02964	1.7
87.00867	0.7
89.02450	3.0
93.03459	0.6
95.01326	0.4
96.95997	0.5
99.00848	0.5
99.92604	0.4
100.93364	0.4
101.02415	2.8
107.01389	2.7
108.02179	1.9
109.02940	1.7
113.02451	2.6
115.55874	0.3
115.92124	0.6
116.92864	1.2
119.03490	1.7
121.02953	1.4
121.75209	0.4
125.02452	0.6
134.03819	0.4
135.00873	0.9
136.01654	0.6
139.04045	0.8
148.01712	1.8
149.99556	0.4
151.00366	9.3
152.01131	1.6
161.04575	1.7
163.00378	2.1
164.01196	0.8
167.03503	2.6
167.07166	0.5
173.04501	0.4
178.99878	5.0
179.05638	1.1
179.10704	0.6
183.04364	0.4
187.03902	0.4
190.05104	0.6
191.05681	0.8
192.00699	0.5
211.03999	1.3
215.03537	1.2
216.04370	0.7
226.02689	1.5
227.03531	3.5
229.04953	0.5
243.00821	0.3
243.02956	10.7
245.04605	1.0
254.02292	2.6
255.02966	26.8
256.03430	1.0
258.02194	0.4
271.02472	58.0
272.03030	2.9
273.04129	0.8
283.02444	1.1
299.01880	1.6
300.02734	100.0
301.03491	36.5
301.07077	1.0
302.03784	1.2
343.04291	0.4
369.09753	0.6
375.11185	0.4
463.08835	4.0
469.06201	0.4
487.06992	0.8
500.44464	0.4
505.09879	71.8
506.10092	3.5
549.25391	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35344	0.4
57.15148	0.4
59.02918	0.5
61.98827	1.3
64.10802	0.5
70.86754	0.9
77.03967	2.0
80.75469	0.4
105.57850	0.5
121.02954	100.0
122.03286	0.6
133.68608	0.4
148.60263	0.5
165.01927	50.0
181.06650	2.7
197.06053	2.0
207.04457	0.8
223.03961	0.5
225.05603	1.9
297.64456	0.5
313.07184	1.4
417.09671	1.5
505.11371	1.3
549.10364	34.5
550.10895	1.5
551.37677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1611
Annotation	Styraxjaponoside A
Peak:m/z	Relative Intensity
53.03381	0.6
68.99812	5.2
69.11003	3.4
72.86658	0.5
73.38172	0.5
84.04587	0.5
108.02171	14.6
109.02946	2.0
112.75047	0.5
119.05014	0.9
119.47677	0.6
121.02937	0.7
122.03699	1.3
123.00914	0.8
123.04523	12.3
132.02162	2.4
133.02936	1.6
134.03737	39.1
136.01660	1.6
137.02473	2.8
138.03305	0.7
139.04034	0.8
147.04527	2.7
148.05302	1.0
149.06081	13.0
150.03227	8.9
153.05603	1.1
157.24022	0.6
159.04555	0.7
160.01653	2.3
161.02448	1.0
162.03250	1.6
163.03986	2.1
165.05534	1.1
174.03218	3.0
175.03941	2.3
176.04807	0.6
177.05518	2.8
178.02704	45.2
179.03166	0.8
188.04692	0.9
189.05502	2.8
192.04135	0.8
193.05045	100.0
194.05457	2.2
217.05052	1.0
218.02167	0.8
233.04578	3.1
235.06117	0.7
245.04546	1.0
263.05655	5.2
291.37219	0.6
298.08517	1.2
313.10770	2.2
343.11676	1.0
357.09906	4.0
387.10815	99.0
388.10983	2.8
429.11926	2.0
461.54868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03208	1.2
59.01380	30.3
61.98821	7.6
69.03429	1.8
71.01390	10.7
72.99654	1.0
73.02938	1.8
76.60873	1.1
80.91677	2.0
82.95407	1.7
83.05077	1.2
84.03899	1.1
84.95123	4.8
85.02969	3.5
85.09776	1.3
87.00874	2.5
89.02450	9.4
91.05510	1.6
93.03448	7.7
96.96014	5.3
98.21922	2.0
99.00888	1.3
101.02436	7.6
105.03491	2.6
107.05040	2.7
108.02177	18.2
109.02974	1.9
111.00822	1.2
111.04520	2.6
113.02450	4.4
119.03510	3.5
119.05064	2.2
121.02905	2.3
123.00850	1.0
123.04525	11.8
124.01647	1.6
128.03561	1.3
129.01897	1.1
132.02168	2.2
133.02962	6.0
133.67117	1.2
134.03745	30.2
135.04529	8.6
136.01651	8.2
137.02454	3.2
137.06110	1.1
147.04518	3.2
149.02434	4.6
149.04521	1.6
149.06084	7.9
150.03256	2.3
151.04021	11.4
155.03514	3.6
157.02856	1.1
158.03659	1.2
160.01695	5.0
161.02446	2.5
162.03241	1.6
163.04002	10.9
164.04779	15.2
167.03401	1.4
173.04562	15.2
173.05975	2.1
175.04056	4.2
176.04765	2.7
177.01944	3.7
178.02701	17.7
179.03308	1.1
179.05748	1.8
179.07091	6.2
185.55592	1.0
189.05588	1.8
191.05602	4.8
191.07184	1.7
193.01321	1.5
193.05067	29.3
199.04036	2.0
200.04849	2.6
207.02989	27.4
208.03735	2.6
209.04532	1.2
217.04997	2.6
225.05487	1.5
227.76192	1.0
228.04289	5.6
235.06097	2.4
243.06593	4.8
256.03821	4.7
269.04599	4.1
271.06107	42.7
284.06924	6.3
286.08466	28.7
286.11679	1.6
294.37006	1.0
297.11102	1.5
299.09164	10.3
301.10834	34.2
309.11133	1.2
310.08499	3.4
325.10883	1.4
337.57950	1.1
354.07297	2.4
357.09677	2.1
369.09766	100.0
370.09937	2.9
375.10818	52.4
387.10733	8.2
429.11902	3.6
489.14215	3.2
549.28613	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	549.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40450	0.8
57.03434	1.4
59.01377	68.8
71.01382	47.3
71.41257	1.4
72.23486	1.0
72.51204	0.9
72.99314	1.1
73.02937	2.4
78.95876	1.0
82.44748	0.9
83.01393	2.5
85.02954	9.6
87.00856	2.9
88.61108	0.9
89.02442	52.0
95.01391	3.9
99.00848	2.4
101.02451	22.9
103.42699	1.0
113.02450	24.3
117.01937	3.2
119.03497	11.8
131.03470	2.8
133.01474	1.7
143.03545	5.3
149.04552	1.5
161.04539	5.7
179.05615	18.3
207.05083	2.7
210.49252	1.0
236.99030	1.1
246.22372	0.9
285.56686	1.0
323.09836	17.5
341.10852	2.1
503.16165	100.0
504.16653	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86024	5.0
59.01380	100.0
61.98821	12.6
69.63088	17.3
73.59928	5.1
77.80761	4.8
98.21903	8.8
111.95576	4.8
121.02967	12.1
123.00874	5.6
125.02464	6.5
138.03180	10.3
141.91943	5.7
148.05312	9.9
168.00633	5.8
177.01836	9.6
192.04291	15.7
200.24733	4.9
207.06615	23.0
213.98396	4.9
248.32954	4.9
254.05841	9.2
255.06622	46.5
269.08054	5.3
270.08890	27.5
272.06726	6.7
272.10678	8.6
285.08035	8.1
285.11325	99.8
286.12097	8.7
287.09753	5.4
287.12897	26.7
297.11441	15.4
299.12881	13.4
301.14542	6.4
345.17087	8.6
396.53763	5.9
423.14832	9.3
451.17880	38.8
453.19135	47.9
495.20175	88.9
513.21094	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1925
Annotation	Raocyclamide A
Peak:m/z	Relative Intensity
53.84952	1.0
69.47983	1.2
69.48304	5.1
71.01384	2.7
78.95900	56.0
81.87032	1.3
96.96967	1.2
99.05276	1.2
99.92577	15.8
100.93345	8.3
108.68349	1.2
109.55147	1.2
110.98543	10.9
115.92046	6.0
116.92860	14.2
117.93673	1.3
148.91022	1.1
150.98009	1.5
154.94423	1.3
163.89749	4.1
164.90501	9.8
164.99527	3.6
167.01143	3.0
169.42265	1.1
172.95409	1.5
173.91185	1.0
178.88443	18.2
179.89217	16.5
180.89999	15.5
181.90793	6.3
183.68044	1.3
193.90767	30.6
194.68304	1.1
194.87801	1.4
194.91563	16.1
196.89476	53.0
201.70914	1.2
210.91077	6.7
236.92590	2.9
248.92564	3.8
249.93419	3.1
250.94237	2.1
252.92111	3.3
266.93658	5.4
267.94318	2.3
273.77817	1.2
281.24811	3.7
372.83319	1.3
381.17419	1.8
501.17136	1.9
531.18378	4.4
545.16565	1.6
549.19263	100.0
550.19659	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.6
61.98820	0.9
65.40043	0.6
69.13887	0.6
69.39022	1.8
69.39432	1.1
71.01384	1.0
72.42802	0.6
85.02946	0.7
85.10703	0.6
92.99004	0.6
96.95951	0.7
107.05022	100.0
113.02455	2.3
121.02956	1.5
144.82765	0.5
155.91370	0.6
160.51952	0.6
225.05510	1.3
240.07881	0.6
248.02528	0.6
255.10240	7.9
267.67816	0.6
273.11304	55.7
274.11594	1.0
282.50272	0.7
354.86542	0.6
435.15613	1.1
475.11969	0.8
501.15802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36806	0.1
55.01620	0.1
55.01849	0.8
59.01380	4.0
61.98826	0.8
62.53635	0.1
63.88931	0.1
64.48297	0.1
64.57127	0.1
69.09128	0.6
71.01378	2.5
73.02937	0.4
79.05534	0.2
79.18797	0.1
80.91698	0.1
83.01350	0.1
85.02949	0.7
87.00838	0.1
89.02445	3.1
93.03458	0.2
95.01419	0.2
97.03020	0.1
98.21885	0.2
101.02454	1.3
108.02175	0.1
109.02980	0.1
113.02438	1.0
115.92069	0.1
119.03496	0.9
121.02934	0.6
122.03735	0.3
123.00898	0.2
123.04454	0.1
131.03491	0.2
134.03777	0.1
136.01662	3.9
137.02446	0.7
138.03252	0.2
143.03493	0.2
143.39928	0.1
149.04463	0.1
151.00374	1.6
151.04007	6.4
152.04674	0.1
153.05589	0.5
159.03061	0.1
159.04529	0.1
160.05388	0.1
161.02464	0.1
161.04526	0.8
162.03259	0.1
163.04013	0.1
164.04822	0.2
166.02710	5.7
166.07866	0.1
167.03488	0.3
169.06573	0.8
173.04503	0.2
177.01997	0.2
179.05600	0.7
179.08617	0.5
181.05066	6.9
181.10222	4.5
183.08192	0.2
187.04007	0.2
188.04846	0.2
189.05627	0.1
191.05544	0.1
193.05067	0.2
203.07137	0.5
205.05170	0.1
205.08806	0.1
206.05820	0.1
210.06900	0.2
223.07671	0.4
225.09210	100.0
226.09528	1.9
237.41742	0.1
249.09300	0.2
258.05777	0.1
267.10172	0.1
271.06070	0.2
294.05304	0.1
301.10687	0.1
329.10367	0.2
339.12347	0.3
357.09775	1.2
364.20663	0.1
369.13434	0.8
372.12198	1.1
387.14484	18.4
388.14880	0.4
549.29401	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1978
Annotation	Eucommin A
Peak:m/z	Relative Intensity
59.01381	5.1
61.98828	3.2
69.03455	0.4
69.21606	0.4
69.89960	0.4
71.01389	3.9
71.42343	0.5
73.02943	0.7
77.58242	0.5
78.91870	0.4
80.67368	0.4
80.91683	4.5
82.95397	1.5
84.33199	0.4
84.95123	3.6
85.00468	0.6
85.02945	1.6
89.02439	1.1
93.03472	0.7
95.01363	0.5
96.96001	0.5
99.00875	0.5
100.93388	0.6
101.02448	1.5
108.02173	0.8
109.02958	1.5
111.15828	0.4
113.02435	1.1
115.92068	0.6
116.92862	0.5
119.03461	0.5
121.02946	1.9
121.06593	0.6
122.03742	1.4
123.00867	1.5
123.04546	0.7
125.02502	0.7
129.71034	0.4
134.03716	1.1
135.04564	0.5
136.01663	41.5
137.02460	7.0
149.02454	0.6
151.00397	7.6
151.04008	57.9
152.01074	0.6
152.04761	2.1
159.04521	0.5
160.05305	0.8
161.04500	0.6
162.03214	1.1
163.04083	0.6
164.04807	0.6
165.01894	0.6
165.05591	0.5
166.02715	26.6
167.03474	1.8
173.04591	0.5
175.04022	0.9
175.07646	0.5
177.01938	1.7
177.05507	1.2
178.02577	0.5
179.03487	0.6
181.05070	33.3
182.05440	0.6
190.06325	0.7
191.05580	0.8
193.05124	0.5
195.02960	0.8
203.07182	0.5
205.05074	1.0
205.08751	1.0
207.06531	0.5
305.13977	1.8
329.10315	1.9
339.09036	0.7
341.13760	0.8
349.19061	0.4
357.09790	14.2
357.13516	0.6
369.13470	1.1
372.12122	7.6
387.14484	100.0
388.14886	3.3
463.14923	0.5
511.24582	0.8
549.16266	0.6
549.29004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03444	2.1
59.01378	35.3
59.58273	0.7
61.98822	2.8
66.34088	0.7
69.03448	0.7
69.18240	2.3
69.18639	1.8
71.01379	10.6
71.05025	1.1
72.99323	1.5
73.02940	5.6
83.01380	5.3
83.05019	1.4
85.02954	5.2
87.00863	3.5
87.04520	1.2
89.02441	8.4
91.53315	0.7
93.03457	91.9
95.01374	1.5
96.95978	1.3
97.02901	0.7
97.06609	1.0
99.00846	0.8
99.92574	1.5
100.93359	11.9
101.02435	9.2
104.77409	0.8
107.05033	3.0
108.02174	2.5
109.02952	1.6
111.00848	0.9
111.04514	0.9
113.02443	8.0
115.36572	0.9
115.92087	17.9
116.92159	1.2
116.92854	8.7
119.03514	2.0
119.05030	5.9
120.05797	1.0
121.02973	1.6
123.04476	0.8
125.02432	1.2
125.06158	0.9
135.04518	1.7
137.02452	100.0
138.02751	1.0
139.04024	2.5
143.03516	0.8
147.08194	1.1
155.03511	0.8
161.04541	2.2
161.09723	6.6
161.13428	1.8
163.04005	2.6
163.11279	1.6
163.13161	0.7
173.04500	3.5
179.03493	0.8
179.05725	1.7
187.11284	7.1
189.09241	4.9
191.05634	3.2
192.05911	0.8
203.10895	1.3
205.12350	3.2
207.10222	2.4
210.97055	2.8
211.07727	1.2
213.05576	15.5
223.13326	3.7
231.10237	2.1
243.10191	0.9
249.11328	5.6
255.06877	0.8
255.10251	1.5
267.12396	2.4
273.07727	6.9
273.10980	1.6
291.12283	1.4
309.13449	1.1
315.12393	0.9
333.13574	2.9
371.99112	1.2
374.06253	1.3
411.16617	11.7
435.12845	5.2
435.26773	3.8
487.06970	1.1
500.23383	1.4
505.26816	1.2
531.31390	1.3
549.19855	28.6
549.29938	9.6
550.21136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01379	16.0
61.98840	2.7
69.03441	1.3
71.01369	4.6
71.43712	0.7
73.02943	1.7
83.01370	0.7
85.02947	1.8
85.83469	0.4
87.00862	1.4
89.02451	3.3
93.03445	4.9
95.01381	0.5
95.05021	0.4
96.96018	4.5
97.30138	0.4
99.92585	0.9
100.93363	5.5
101.02441	3.2
106.04243	0.5
107.05013	1.9
108.02138	1.1
109.02945	1.9
111.00844	0.8
113.02442	5.0
115.92072	8.0
116.92860	6.0
118.98093	0.5
119.03493	1.3
119.05003	3.4
121.02963	0.6
121.06567	0.6
123.00911	0.6
123.04521	0.9
125.02470	0.7
130.08719	0.7
131.03448	0.5
133.02927	0.5
133.18907	0.5
135.04524	43.6
136.01663	0.6
137.02434	13.4
138.03226	2.1
139.04013	1.3
149.02266	0.4
149.06027	0.6
151.03987	2.1
151.07690	0.5
152.04778	4.3
153.05531	2.2
161.04564	0.7
163.99205	0.4
165.48529	0.5
173.04546	0.8
191.05630	1.1
199.07690	0.7
210.96973	1.8
225.05547	0.5
241.08685	24.3
242.09196	0.6
243.06610	30.0
255.10271	4.5
258.08954	45.4
259.09335	0.9
269.88315	0.5
273.11307	100.0
273.36331	0.4
274.11713	1.9
349.18564	0.6
371.99280	1.0
404.36563	0.5
405.21350	1.7
420.14322	2.4
434.24557	0.5
435.16415	1.5
447.22147	1.1
487.06204	0.5
489.30832	1.3
505.26752	0.5
548.33893	0.5
549.19263	1.1
549.33319	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	549.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.9
59.01376	6.5
61.98833	1.4
64.55212	0.1
69.25972	0.6
71.01015	0.2
71.01377	3.4
72.99295	0.2
73.02940	0.4
79.05527	0.3
80.91675	0.2
83.01368	0.4
85.02969	1.0
87.00888	0.2
89.02444	4.5
89.67339	0.1
93.03482	0.3
95.01393	0.3
97.02926	0.2
98.21844	0.3
99.00846	0.2
101.02441	2.1
108.02142	0.2
109.02960	0.2
113.02442	1.4
119.03498	1.5
121.02959	0.9
122.03725	0.6
123.00852	0.3
131.03441	0.2
134.03781	0.2
136.01654	6.8
137.02472	1.2
138.03221	0.4
143.03484	0.2
145.54036	0.2
149.02377	0.2
151.00369	2.5
151.04001	10.3
151.81589	0.1
152.01123	0.2
152.04788	0.2
153.05525	0.4
159.04446	0.2
160.05310	0.3
161.04555	0.9
164.25871	0.1
166.02707	9.4
167.03424	0.6
169.06607	0.7
173.04509	0.4
175.04013	0.3
175.07594	0.3
177.01918	0.4
177.05585	0.2
179.03438	0.2
179.05658	1.0
179.08632	0.5
181.05057	10.6
181.10211	4.1
183.08055	0.2
187.04019	0.2
188.04779	0.2
189.05620	0.2
190.06380	0.2
191.03391	0.2
191.05664	0.2
192.04269	0.2
193.05066	0.2
193.48114	0.2
203.07172	1.0
205.05032	0.2
205.08702	0.3
210.06737	0.2
223.07816	0.3
225.09196	100.0
226.09509	2.1
248.04709	0.1
249.09003	0.3
273.38379	0.1
309.07867	0.3
321.07623	0.2
324.50583	0.1
329.10287	0.3
339.12311	0.5
341.13992	0.2
357.09763	2.3
369.13483	1.2
372.12048	1.7
387.14478	29.2
388.14713	0.8
469.56854	0.2
549.28784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18398	0.6
50.61709	0.6
52.12457	0.6
52.61518	0.8
55.01882	1.0
58.00592	1.0
59.01377	64.3
69.65901	1.1
69.66267	2.6
71.01379	28.5
72.99309	1.3
73.02940	2.3
82.95401	1.8
83.01348	1.5
83.69109	0.7
84.95116	5.2
85.00426	2.1
85.02944	7.2
87.00868	1.8
89.02442	23.0
95.01383	1.5
96.96012	1.4
99.00875	1.3
99.92577	1.0
100.93350	1.3
101.02434	17.3
106.06638	3.7
113.02449	10.4
115.92070	1.3
116.05093	0.8
116.92868	5.3
119.03501	10.8
122.06129	2.2
130.03001	5.0
131.03764	5.3
132.04541	4.2
134.06119	38.9
135.11775	0.9
137.38602	0.7
139.04108	0.9
144.04628	0.9
146.06096	2.0
148.04051	0.9
150.05556	1.0
152.07146	4.6
158.02464	15.3
159.02951	0.6
160.04001	2.4
161.04527	1.6
162.05602	3.4
176.03500	2.0
176.17645	0.9
179.05571	2.0
179.10764	2.4
181.09805	0.6
190.05092	69.4
191.05467	2.5
192.06631	3.6
202.05132	1.6
216.06676	0.9
222.07698	26.1
223.07994	0.7
234.07767	1.9
235.08725	0.9
248.09276	1.1
249.10332	2.1
252.63710	0.7
263.08261	1.1
274.88580	0.7
277.05951	0.7
277.09790	2.7
278.10608	0.8
279.11450	0.8
294.10071	0.8
305.09369	5.2
309.08752	4.5
309.12363	3.9
311.10605	1.1
314.12491	7.9
322.09494	1.6
333.15430	1.2
336.06671	0.8
337.11902	38.9
338.12460	1.0
357.14236	0.8
369.10880	1.1
369.14563	20.6
379.08173	0.8
387.11331	1.0
463.23425	0.8
481.57489	0.7
487.06992	0.9
489.19788	1.1
517.18256	77.2
518.18732	2.8
522.80402	0.7
549.20844	100.0
550.21234	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	549.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01077	0.7
59.01377	12.1
59.46410	0.5
60.99305	14.0
67.65484	0.5
71.01390	4.5
73.02935	1.4
73.33955	0.6
83.01401	0.6
85.02953	2.2
87.00871	0.9
88.98804	100.0
89.02437	3.4
89.99126	0.6
93.03428	0.6
95.01376	0.8
98.22651	1.6
100.93301	0.5
101.02435	3.4
108.10298	0.5
113.02462	3.0
115.92081	0.6
118.67020	0.6
119.03519	1.2
161.04573	1.3
167.03441	0.6
173.04614	0.6
191.05472	0.8
193.05109	0.8
300.02679	1.1
329.53250	0.6
387.11154	0.5
417.24997	0.6
434.24963	1.0
435.25946	1.0
505.10349	0.8
541.18121	0.6
548.30188	0.6
549.29547	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	549.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01431	4.2
61.98885	1.9
69.14806	1.3
69.15205	2.4
71.01423	1.4
81.49094	0.7
89.16437	0.6
96.96071	0.7
101.02499	0.9
104.11311	0.6
107.01490	0.8
108.02245	1.7
121.03017	0.8
123.04581	1.1
134.03802	2.0
136.01698	0.7
138.02661	0.7
151.00458	2.3
163.00401	1.0
170.36798	0.6
178.99968	0.7
191.05693	1.4
193.05069	3.5
197.02216	6.6
227.03497	0.7
237.89909	0.7
243.03085	3.2
245.04855	0.7
253.92915	0.6
255.02985	7.7
271.02444	12.8
272.03290	0.7
300.02719	28.4
301.03510	10.4
313.10831	0.9
327.37518	0.8
344.08182	0.7
351.21735	100.0
352.22076	2.1
369.09750	5.7
387.10867	2.7
463.08759	0.8
505.09833	20.5
549.24518	41.0
550.24768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79493	0.2
52.80262	0.3
57.02341	0.3
59.01112	0.3
59.01382	3.3
59.56379	0.3
61.98819	0.9
62.49802	0.3
67.26404	0.3
69.59576	0.5
69.59957	0.6
71.01379	0.9
73.02947	0.8
77.21149	0.4
89.02441	0.8
101.02431	1.0
108.02168	1.0
113.02430	0.8
123.04510	0.9
125.26569	0.3
134.03741	2.1
144.04578	0.6
146.06122	7.5
149.06055	0.5
150.03229	0.6
161.04576	0.6
167.03531	0.5
175.04099	0.3
178.02722	3.3
184.86963	0.3
190.05084	1.6
191.05479	0.4
193.05051	6.1
197.02242	0.7
225.05602	0.4
253.05020	0.4
257.19116	0.6
275.20132	0.9
285.18665	0.7
287.20117	2.4
297.04004	0.8
298.08426	0.3
304.69781	0.4
305.17963	0.5
305.21133	2.6
307.22800	0.4
308.11166	0.3
312.06415	0.5
327.08749	2.5
333.20621	1.3
349.20197	1.7
351.21744	100.0
352.10370	1.2
352.22107	2.7
357.09689	0.4
387.10770	6.0
433.21906	0.5
505.26926	0.4
509.53421	0.3
549.24835	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03432	2.9
59.01379	68.1
62.77252	0.8
69.03442	1.0
71.01379	47.2
71.04973	0.9
72.97527	3.4
72.99300	1.4
73.02949	9.7
73.36636	0.7
75.00872	1.0
79.06581	0.8
83.01383	6.8
83.05034	1.5
85.02948	20.1
87.00882	3.8
89.02447	34.9
93.03431	0.8
95.01378	4.1
96.96001	1.6
97.02916	1.7
99.00877	4.7
101.02441	45.3
104.38971	0.8
113.02455	27.4
115.04019	1.2
116.92863	0.9
119.03505	16.3
121.79883	0.7
123.08173	6.7
125.02438	1.9
129.01872	1.0
131.03517	1.9
135.04536	3.4
137.02419	1.3
137.09715	1.5
139.04033	3.0
143.03502	7.6
149.04550	1.8
159.03015	1.9
161.02684	0.9
161.03117	1.1
161.04559	16.8
161.08202	1.6
163.11278	4.9
179.05621	11.8
189.12877	8.6
194.31450	0.9
207.13841	9.0
209.41319	0.9
225.14955	2.7
234.57774	0.7
254.86426	0.9
323.09717	3.0
387.20209	13.1
453.28436	0.8
489.19733	1.2
549.25525	100.0
550.26178	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31426	0.4
55.01869	1.6
57.03445	1.4
58.00586	1.6
59.01378	100.0
60.01714	0.4
69.71006	1.3
71.01381	54.2
72.99307	1.3
73.02948	4.8
73.57961	0.3
73.97072	0.4
79.29201	0.4
83.01392	2.5
85.02950	12.0
87.00420	0.5
87.00866	2.2
89.02442	63.8
89.50790	0.4
95.01386	4.0
97.02901	0.4
99.00872	1.5
101.02443	33.0
109.04032	0.4
113.02451	21.9
115.04016	0.7
119.03501	31.0
120.01244	1.7
125.02482	0.6
131.03505	3.0
137.09726	1.4
143.03497	5.6
148.26291	0.3
149.04536	2.7
149.09679	0.4
153.09232	0.5
159.03015	1.1
161.04552	9.3
162.29526	0.5
179.05611	14.5
207.13881	0.7
225.14943	0.5
369.19070	1.7
387.20203	7.7
549.25519	54.9
550.25922	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	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.9
61.98834	12.8
62.18962	2.4
69.76779	7.8
71.01377	14.1
73.02943	4.9
73.68042	3.0
73.88319	3.1
85.02947	4.6
87.00890	3.9
101.02457	3.7
113.02405	3.0
115.92095	3.7
122.53127	2.3
123.82362	2.3
124.01712	2.7
157.99782	2.4
177.47681	2.4
221.19052	9.0
239.20227	3.0
265.18143	11.8
283.19180	12.4
291.70120	2.3
301.20236	18.7
319.46985	2.4
343.66422	2.8
427.23697	2.6
445.24203	12.6
457.28122	2.5
463.25461	23.0
505.26486	100.0
506.26785	6.5
575.28748	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	549.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16083	23.2
58.18175	29.5
58.30267	21.9
69.13103	100.0
69.13509	71.5
106.93234	25.6
192.28383	25.6
277.21790	45.9
369.92801	26.3
549.27673	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97381	58.3
73.38961	44.3
84.26023	44.7
106.80896	54.1
129.65846	48.4
203.16020	48.2
277.21750	100.0
353.83490	46.8
534.68457	57.9
549.28326	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21128	0.1
59.01377	0.2
59.77089	0.2
67.86048	0.2
69.17985	0.9
71.01379	0.2
75.63184	0.1
76.78207	0.2
78.82392	0.1
78.95900	3.2
79.95730	2.2
82.74841	0.1
94.98081	0.4
95.97609	0.2
96.96004	100.0
96.96898	5.7
98.22607	0.3
123.04453	0.2
134.03745	0.5
149.06056	0.3
160.01662	0.4
175.04024	0.5
178.02719	0.6
193.05067	1.3
316.26431	0.2
329.01694	0.2
387.10770	1.7
458.02353	0.2
489.27634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
64.92745	0.3
69.40351	1.6
69.70394	0.3
71.01376	0.4
77.03976	0.8
78.95893	1.1
89.02455	0.7
89.03987	0.4
91.04009	1.3
95.05035	1.5
96.90471	0.3
97.40612	0.3
105.03455	8.9
117.03455	0.9
121.02959	0.6
123.04511	1.0
132.02182	3.9
133.02957	38.8
134.03741	10.7
135.04536	3.3
137.02423	2.5
139.04004	0.4
144.05882	0.5
147.04535	0.9
148.05313	2.8
149.02406	0.7
149.06042	0.8
150.03189	0.4
158.07330	0.4
160.01657	21.2
161.02448	15.0
161.06084	2.6
162.03195	1.4
175.03998	44.6
176.04398	0.4
177.01889	1.8
178.02669	2.0
179.03439	2.0
193.05048	3.7
196.89455	0.6
204.11578	0.4
206.24799	0.3
233.08304	0.9
233.38568	0.3
247.09648	2.0
261.11316	1.2
275.12921	0.9
289.14410	1.5
299.16116	0.4
299.25888	5.9
303.16022	1.3
317.17453	1.6
331.19110	1.3
341.21219	0.4
345.20663	1.8
355.22647	0.9
359.22205	1.4
373.23816	3.7
375.28891	1.0
387.25223	0.9
389.30612	2.1
415.28552	0.5
416.29309	0.5
443.28021	6.2
457.29553	16.9
461.29227	2.2
475.30640	25.2
476.30838	1.0
503.30319	0.4
504.31805	0.4
534.31915	2.4
549.34290	100.0
550.20471	0.4
550.34637	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	550.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34859	0.4
59.01376	2.6
60.87856	0.4
61.98826	5.9
73.04943	0.4
75.76476	0.4
93.03490	0.5
101.19124	0.4
113.02450	0.6
121.02961	0.5
159.86940	0.4
160.01651	0.5
173.04530	0.8
175.04012	1.2
191.05600	0.8
215.17566	0.4
223.07622	1.3
224.08432	1.1
225.09190	2.7
226.06387	1.0
227.06638	0.9
238.09875	0.5
241.08681	1.6
242.09055	2.9
251.07066	1.1
252.07889	10.7
252.10416	0.7
253.08698	7.4
257.06412	33.2
258.06741	0.7
265.08844	0.5
266.09406	1.1
267.10251	23.1
268.10974	4.5
285.05927	8.1
285.08746	0.3
286.06659	12.1
297.05942	0.5
298.06622	0.6
299.07452	0.8
300.08237	18.8
301.09024	53.3
302.09335	1.8
388.12198	1.5
429.41339	0.5
448.12000	1.9
463.14319	100.0
464.14636	3.5
499.02280	0.4
550.17780	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	550.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85894	0.4
59.01376	7.9
61.98825	1.1
63.34377	0.4
69.50172	1.8
70.26702	0.5
71.01385	1.1
73.02946	0.5
85.02982	0.5
89.02450	1.1
93.03447	1.5
101.02442	0.8
120.99637	0.5
123.04498	0.5
134.03711	1.1
135.04004	0.5
137.06084	2.6
138.06343	0.7
150.03212	0.5
161.04568	0.5
168.16203	0.5
173.04501	1.0
178.02652	1.0
179.03111	0.5
184.81288	0.5
191.05652	1.5
193.05005	2.7
194.05396	1.3
212.06805	0.9
214.44252	0.5
223.07648	1.8
224.08424	0.6
225.09167	0.7
236.69077	0.5
243.10292	1.8
244.10634	1.5
252.07959	1.2
253.08794	0.8
257.06400	49.1
258.06757	1.4
266.09052	0.7
268.10959	0.5
275.78159	0.5
285.05899	19.4
286.06616	5.4
287.07339	0.6
297.11337	1.7
298.11588	3.2
299.07516	1.3
300.08243	66.5
301.08905	2.7
309.11478	1.2
310.11664	1.9
315.06949	1.0
316.71768	0.5
387.10666	1.0
388.11270	1.9
388.15475	0.7
448.12317	2.3
463.14316	100.0
464.14536	3.9
550.17078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
60.21078	0.6
61.98833	1.6
69.47430	1.6
69.47812	1.9
71.01382	2.2
71.02470	1.2
73.02919	0.7
78.95908	1.2
79.95736	2.2
82.01726	1.8
82.06622	1.6
83.02515	0.8
84.95103	0.7
85.02951	1.0
85.04070	3.0
89.02414	1.9
91.05513	0.7
93.03471	1.4
95.02512	1.7
96.96010	100.0
97.95958	2.1
98.01208	1.1
98.21885	1.2
98.95599	1.7
101.02452	1.2
101.03555	1.1
107.05027	0.9
109.02923	1.2
111.01995	4.4
112.00397	2.1
112.07671	1.7
113.02430	1.9
113.03568	1.2
116.05061	3.5
116.92847	1.0
117.03461	0.9
118.06647	3.3
119.03470	0.8
120.04562	2.4
121.02962	1.2
129.03073	2.8
129.10339	17.5
131.03778	4.4
132.04549	7.4
133.05350	16.7
133.07666	1.4
134.06122	16.1
139.08820	1.3
140.07166	1.2
144.04552	1.0
146.06094	2.8
153.10365	1.3
155.08270	19.6
157.05344	0.8
159.08092	1.0
160.04039	18.6
167.08246	2.3
171.05597	1.3
172.04051	1.4
173.04819	1.5
173.07190	2.6
174.05598	1.5
177.06685	1.3
178.05051	1.6
180.11377	1.1
181.09830	3.5
186.05605	2.4
187.05110	2.1
188.05881	6.9
189.06673	8.8
191.05478	1.1
193.05164	1.0
198.12469	8.9
203.08296	1.6
208.08900	0.9
209.09698	0.9
217.42273	0.8
221.09663	0.7
224.10384	1.7
231.06578	2.1
231.14951	1.1
241.13289	0.8
242.11792	2.7
244.13446	0.9
259.14600	1.0
262.11179	0.8
263.11636	1.4
264.10275	27.3
272.87732	0.9
279.11386	3.8
281.12994	11.9
282.12927	0.8
307.10526	4.5
316.16605	0.8
376.20236	1.0
392.19568	0.8
394.21396	4.0
420.19049	4.2
463.23492	52.6
464.23645	2.4
488.23404	1.5
489.21216	5.2
506.23959	10.8
533.20508	1.2
550.22998	31.8
551.23712	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	550.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03450	6.9
59.01379	23.8
61.35166	0.4
61.94881	0.5
61.98825	2.5
69.46087	1.0
69.46482	1.8
71.01382	15.8
73.02940	7.8
83.01375	2.4
85.02948	6.9
87.00881	3.9
89.02440	14.3
95.01385	0.8
95.91911	0.5
96.04552	15.0
99.00860	1.8
101.02442	17.8
108.02206	0.5
110.06164	0.6
113.02454	8.0
113.03171	1.0
119.03504	5.8
131.03519	1.0
143.03461	0.6
159.02963	0.6
161.04546	1.9
166.08791	1.0
169.08731	2.9
176.51379	0.5
179.05617	1.0
182.08168	0.6
187.09767	1.0
200.09280	16.3
210.11301	0.6
248.13040	0.8
266.13953	1.2
331.13968	15.6
410.17743	1.0
428.19278	7.4
468.22427	2.8
514.22937	5.7
532.24133	4.6
550.25043	100.0
551.25378	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	550.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18744	0.2
55.01865	0.2
58.11240	0.2
58.43621	0.3
59.01376	2.9
61.98827	100.0
63.21059	0.2
67.83009	0.3
69.03454	0.4
69.06573	0.8
69.06972	0.9
71.01378	1.3
72.08719	0.3
73.02966	0.4
85.02948	0.5
88.98811	0.3
89.02442	0.6
93.03451	0.4
96.95995	0.4
98.22695	0.6
98.95674	0.3
100.93359	0.3
101.02463	0.9
113.02462	2.2
115.92096	0.5
116.92134	0.6
116.92873	0.4
121.03015	0.3
123.04500	0.3
136.01686	0.6
137.02434	0.6
139.04019	1.0
151.00420	0.5
151.04002	1.3
152.04341	0.3
161.04510	0.5
166.02777	0.6
181.05101	1.1
182.05463	0.9
191.05659	0.3
196.68488	0.3
228.01738	0.3
237.07738	0.7
273.90259	0.3
322.46194	0.3
373.22488	1.3
387.14383	1.3
388.14813	3.0
474.17322	0.4
487.25531	0.5
500.22836	3.6
504.49414	0.3
518.15778	0.6
550.34119	0.5
576.99518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1764
Annotation	Lactucaside
Peak:m/z	Relative Intensity
57.03433	1.1
59.01376	19.5
61.98839	1.6
63.40942	1.0
64.70032	1.1
71.01374	11.3
72.65233	1.0
73.02942	2.9
75.79462	1.1
77.82473	0.8
82.95429	1.1
83.01367	1.7
85.02936	4.4
89.02442	8.4
93.03448	2.2
95.01389	1.4
99.19968	1.1
101.02428	7.2
111.00891	1.4
113.02435	7.0
116.92873	7.9
119.03468	4.0
119.04990	2.3
120.04560	1.5
121.02963	6.9
122.03718	4.6
123.04523	6.5
131.03447	1.2
132.02214	1.8
133.02924	3.3
134.03740	88.1
134.05977	5.4
135.04565	4.9
136.01680	1.7
137.02457	6.2
139.03973	4.4
143.87036	1.1
147.04488	3.8
149.02446	14.0
149.06082	22.2
150.03217	39.3
151.04001	27.8
153.05534	1.8
157.92509	1.0
159.08086	3.6
160.01631	1.7
161.04500	2.1
164.04810	3.9
165.05568	39.4
175.03946	3.6
176.04698	3.2
178.02710	41.4
179.05498	1.4
180.04257	2.5
181.05060	17.2
191.05556	2.0
191.07120	5.0
192.04271	3.6
193.05049	100.0
194.05301	1.8
195.06641	12.8
206.04604	1.5
207.06569	1.5
217.05037	1.0
224.46019	1.2
231.06670	5.6
235.06104	14.8
267.06622	2.6
282.09006	6.5
297.11316	2.9
341.06433	1.6
341.10281	19.0
353.11655	1.3
383.11212	4.4
389.12396	95.9
390.12555	4.4
431.13263	4.7
443.01868	1.1
533.17554	2.4
551.17902	37.2
551.26331	5.6
552.18109	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	551.1771
Annotation	Alboside I
Peak:m/z	Relative Intensity
52.73294	0.5
55.28623	0.5
59.01379	10.4
61.98814	0.9
65.01894	0.5
71.01382	6.6
85.02947	1.6
87.00873	13.7
88.98811	0.8
89.02446	7.5
93.03450	2.0
99.92519	0.5
101.02454	3.0
105.67889	0.5
113.02463	2.5
119.03519	2.8
119.05035	0.7
121.02947	2.2
122.03701	1.3
125.82942	0.6
132.02148	0.8
133.02953	3.3
134.03745	50.7
135.04518	1.2
136.01662	0.9
137.02443	4.0
139.04013	1.0
143.03468	0.9
147.04500	2.2
148.05255	0.7
149.02443	2.0
149.06088	16.0
150.03229	12.0
151.03973	2.3
151.76236	0.8
160.01695	1.4
161.04614	0.9
162.03239	9.1
164.04710	0.8
165.05566	12.9
166.02576	0.6
173.04504	0.7
175.03996	2.7
176.04741	1.7
177.05583	6.3
178.02722	29.8
179.05595	1.6
180.04239	1.1
181.05112	1.6
191.05681	3.2
191.06981	2.9
193.05052	100.0
194.05365	1.2
195.06619	8.1
223.06027	1.0
235.06047	5.4
253.46124	0.6
266.24338	0.6
295.08325	1.4
335.11868	0.8
341.10330	1.8
353.10266	4.8
353.17697	0.7
377.22147	0.7
383.11441	1.2
388.15335	0.6
389.11938	6.2
431.13403	2.2
551.17267	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47321	0.5
69.58114	2.1
72.38071	0.5
82.01320	0.6
93.03463	0.9
113.36882	0.6
117.03445	0.6
121.02939	6.1
122.03731	4.0
124.67989	0.5
133.02893	1.3
134.03740	55.6
135.04486	1.2
136.03952	0.6
137.02411	2.6
139.04095	1.0
145.84784	0.7
147.04514	0.7
148.51851	0.6
149.02435	9.8
149.06075	14.1
150.03221	33.7
154.79539	0.6
159.37007	0.7
160.01698	0.6
164.04744	2.4
165.05553	35.7
178.02699	27.4
180.04256	2.1
184.20740	0.6
193.05046	100.0
194.05388	1.6
195.06615	25.8
199.57549	0.6
221.87231	0.6
233.06197	0.6
239.07141	1.2
250.06441	2.0
267.06534	0.9
272.84915	0.6
282.08914	5.7
341.10275	17.6
342.10406	0.7
361.91867	0.6
389.12396	22.0
390.12796	0.7
551.17493	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	551.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26379	0.3
55.27804	0.3
57.03447	6.2
58.00572	0.4
59.01372	5.7
71.01382	2.3
73.02939	0.8
80.25011	0.4
80.53391	0.4
83.01392	1.3
84.02162	1.2
85.02948	21.3
87.00409	0.3
87.00873	7.0
89.02444	1.2
97.02925	0.6
99.00880	1.6
101.02425	0.9
111.00867	1.8
115.03998	0.7
129.01949	10.8
136.67390	0.3
141.01910	1.0
159.02953	3.1
175.30080	0.3
209.06659	100.0
210.06952	1.2
447.77161	0.4
553.04742	0.5
579.20551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	21.1
61.98824	7.3
65.86322	4.7
71.01361	14.8
71.46453	4.9
74.66585	4.3
87.00336	7.3
87.00870	100.0
89.02438	19.3
95.58143	4.6
101.02482	7.4
113.02445	7.7
119.03520	6.4
133.15886	4.2
134.03749	8.6
135.04533	6.9
149.02405	8.8
150.03221	6.6
150.06822	15.3
160.01605	5.4
161.66536	4.2
165.05556	12.2
179.05621	25.4
191.05525	9.2
193.05080	5.6
223.06110	14.9
227.10719	12.4
241.12329	42.9
251.10756	5.5
269.11801	89.5
389.11865	6.1
431.17068	9.0
471.66235	5.9
551.19226	81.1
561.80359	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
56.83238	1.1
56.88533	1.3
57.03424	2.5
59.01377	100.0
61.98829	6.5
69.03447	5.2
69.21371	6.3
71.01378	72.7
71.01785	1.9
72.99293	1.4
73.02938	10.0
81.03442	4.1
83.01387	6.9
85.02945	13.6
86.03165	1.5
87.00863	5.6
89.02442	78.2
93.03465	7.9
95.01374	4.5
97.02938	7.6
98.22740	2.2
98.82449	1.4
99.00858	3.0
101.02446	52.2
105.73271	1.4
111.00856	2.0
111.04507	4.4
112.98572	1.6
113.02449	29.6
119.03501	37.4
125.02444	33.7
127.04002	1.7
129.05571	3.9
131.03526	7.5
134.03738	1.5
136.05302	21.8
137.02432	4.5
139.04045	2.0
139.07629	3.3
143.03508	10.1
149.04498	4.9
152.01085	1.7
155.03488	4.8
161.04536	11.1
165.05394	1.5
167.03432	2.9
173.04552	29.2
175.03975	1.6
179.05603	20.6
183.06667	2.1
190.06358	1.5
191.05632	5.0
193.05045	3.8
197.08138	2.5
201.07631	5.9
208.07408	2.1
215.09270	9.8
221.04506	1.6
221.06622	22.1
227.10762	94.8
228.11089	1.6
235.12096	1.3
245.06551	3.8
263.07684	8.0
303.11960	1.6
305.71753	1.4
306.07684	1.5
308.33990	1.5
323.09808	37.8
349.09286	2.7
351.21753	15.6
352.21921	2.3
357.11746	2.2
359.14981	5.1
389.14557	16.0
551.21014	7.7
551.30298	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.0
57.03454	2.2
58.07962	1.2
59.01375	100.0
60.01675	1.4
61.98830	9.0
62.40486	1.2
63.39108	1.2
69.03451	3.6
69.10145	2.8
69.10544	4.6
71.01376	55.6
72.99318	2.3
73.02940	6.3
78.95882	2.1
81.03421	1.4
83.01379	4.4
85.02962	12.3
87.00887	8.0
87.04502	1.7
89.02441	63.4
91.05505	2.9
93.03443	5.3
95.01372	3.3
95.04966	1.7
97.02928	1.5
99.00858	1.8
99.04513	1.8
100.93311	2.2
101.02431	35.6
104.91806	1.3
106.04269	2.3
111.04538	3.0
113.02443	39.0
115.61277	1.2
115.92073	1.9
116.92828	7.9
119.03497	28.0
119.04947	2.6
121.02939	1.9
123.04514	3.3
125.06059	2.3
129.46324	1.3
131.03497	4.2
135.04512	3.6
137.02406	1.8
139.04001	3.1
142.41393	1.2
143.03514	6.4
145.05046	5.0
149.04576	3.0
152.04793	2.3
153.05493	1.3
159.02980	1.9
159.04425	1.3
161.04565	16.1
163.03938	2.0
173.04576	3.5
179.01678	1.8
179.05591	30.5
185.09689	4.4
191.05583	8.1
195.11816	3.3
199.07619	2.7
201.09242	7.3
202.06328	2.9
213.09123	4.4
219.10350	2.0
229.12239	4.1
235.08174	10.0
239.10774	6.3
257.11813	30.4
260.03854	1.2
261.62503	1.3
275.09253	2.8
275.12628	1.6
365.16098	2.8
409.18573	4.8
419.17056	5.2
437.18146	66.2
438.18539	2.3
507.27704	2.1
551.20569	6.1
551.33594	5.6
552.19739	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	551.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01601	0.1
55.01853	0.5
59.01375	0.3
59.68695	0.0
67.58483	0.0
69.03471	0.0
71.01379	1.4
71.41307	0.0
73.02950	0.4
75.00836	0.0
75.73400	0.0
79.05540	0.1
81.03443	0.0
82.95424	0.0
83.01384	0.2
84.40403	0.0
85.02948	0.6
87.00864	0.0
88.96100	0.0
89.02441	0.2
91.05530	0.1
93.03436	0.0
95.01389	0.1
95.05025	0.4
97.02951	0.1
99.00867	0.2
101.02439	0.9
105.07094	0.2
107.05004	0.0
113.02451	0.7
121.02968	0.1
122.03693	0.2
123.04508	0.1
125.02457	0.1
129.07118	0.0
133.06631	0.0
134.03748	0.1
135.04556	0.0
136.05296	11.5
137.02473	0.1
137.05626	0.1
138.03122	0.0
139.03970	0.2
143.03485	0.1
149.06046	0.0
150.03212	0.1
151.03975	0.3
153.02113	0.0
156.05704	0.0
159.03047	0.2
160.05194	0.0
161.04553	2.7
162.04955	0.0
165.05618	0.1
167.03487	0.1
167.08682	0.0
168.04251	0.1
169.06522	0.2
171.08154	0.6
177.05653	0.0
178.02722	0.0
179.06960	0.0
181.10249	0.2
183.11780	0.8
185.09793	0.1
193.05090	0.2
195.06601	0.1
198.06737	0.0
205.03476	0.0
212.08325	0.0
225.09367	0.1
227.10762	100.0
228.11069	2.4
251.10844	0.2
269.11652	0.1
287.12848	0.0
311.12790	0.1
341.10428	0.0
389.16031	3.0
390.16534	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	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
59.01380	5.8
61.98830	0.5
62.60826	0.2
65.32683	0.2
69.16475	0.6
69.16885	0.7
71.01383	1.2
73.02934	0.4
81.03434	0.3
85.02985	0.5
85.86381	0.3
87.00852	0.2
89.02415	1.2
93.03437	0.5
96.95999	0.4
101.02421	1.0
113.02438	0.3
116.92880	0.3
119.03506	0.2
120.99659	0.3
121.02956	5.7
121.03849	0.3
122.03716	0.2
125.02454	0.5
135.04509	0.8
136.05299	8.7
139.03964	0.4
149.02466	0.3
149.05989	0.3
150.03181	1.0
151.03970	0.4
151.07631	0.6
157.00296	0.2
161.02473	0.4
162.83875	0.3
165.05588	0.8
179.03516	0.3
179.05560	0.5
185.06085	0.4
191.05605	0.4
195.06598	0.4
196.08908	3.7
209.04248	0.2
211.07645	0.4
213.09232	0.4
221.06503	0.2
227.10751	1.3
240.07930	0.5
241.08699	0.9
245.76324	0.2
255.10246	0.3
256.95798	0.3
257.08224	0.6
257.11908	0.4
271.09885	0.3
272.10544	9.8
287.12885	100.0
288.13254	2.7
323.09781	0.3
325.10867	0.4
337.10938	0.5
341.10306	0.8
371.11349	0.7
431.17096	0.5
463.14069	0.2
491.19446	1.1
551.20465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03441	1.3
58.00591	1.4
59.01374	100.0
71.01376	52.3
72.01738	0.4
72.99302	1.5
73.02948	2.9
73.40977	0.3
81.03463	0.3
83.01380	2.8
85.02947	11.3
87.00875	2.1
89.02440	61.9
89.15575	0.3
90.02786	0.3
93.03454	1.3
95.01383	4.5
96.96015	0.3
99.00886	1.5
101.02438	32.2
113.02441	22.1
116.92876	1.1
119.03497	27.1
121.02946	0.4
123.04517	0.8
125.02441	0.7
131.03511	2.8
132.04507	0.7
134.03734	6.4
135.04523	2.9
137.02419	0.6
139.03995	0.6
143.03485	4.5
149.02428	1.1
149.04561	2.1
149.06000	1.5
150.03239	2.6
151.04002	1.4
159.03000	0.9
159.06960	0.4
159.08160	2.0
161.04556	5.9
165.05576	2.6
173.04517	1.1
178.02736	2.8
179.03377	0.6
179.03694	0.6
179.05594	12.0
180.04243	0.3
181.05049	0.8
187.07634	0.6
191.05592	2.1
191.07095	0.4
193.05051	6.6
195.06656	1.1
203.07091	0.4
231.06593	4.1
232.06967	0.5
235.06068	0.8
341.10046	1.1
353.08582	0.3
371.20657	1.4
389.12463	6.5
389.17758	0.4
389.21777	3.3
430.19202	0.3
431.13647	0.6
476.84122	0.3
508.38034	0.3
515.14081	1.2
519.16248	1.6
551.27039	73.1
552.27612	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	551.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86380	0.3
55.83889	0.3
56.24457	0.3
59.01375	6.3
61.01804	0.3
69.03451	15.6
69.34067	1.0
69.34465	0.6
71.01370	3.6
72.01742	0.3
73.02934	0.6
85.02947	1.9
87.00888	0.4
89.01927	0.4
89.02443	4.5
91.44267	0.2
93.03467	0.5
101.02442	2.0
102.02755	0.4
113.02444	100.0
114.02771	0.6
117.59730	0.3
119.03509	1.9
131.03447	0.3
134.03728	2.3
135.04509	0.9
137.02487	0.3
139.03998	0.3
143.03519	0.3
145.05060	58.2
146.05399	0.5
149.02437	0.7
149.06049	0.5
149.09720	0.5
150.03212	1.2
151.04044	0.4
159.08148	0.4
161.04596	0.7
162.89346	0.4
165.05562	1.4
167.10739	1.1
178.02724	1.0
179.05618	1.4
191.05664	0.7
191.96181	0.3
193.05070	3.5
195.06610	0.4
202.83417	0.3
231.06625	1.2
234.27223	0.3
253.42479	0.3
341.10297	0.5
389.12378	2.2
405.21078	1.4
519.16339	0.8
551.18512	0.6
551.26373	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	551.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	93.7
61.98829	11.6
69.48123	8.1
71.01375	13.7
73.02937	5.6
79.33067	1.9
85.02937	5.6
89.02467	2.3
93.03453	2.5
101.02446	11.2
108.70115	1.8
113.02417	8.9
115.00319	1.9
119.24814	1.7
125.02419	2.6
146.06142	2.5
161.04494	3.0
164.01216	2.0
174.01630	3.6
191.05611	4.4
243.58937	1.9
437.23907	4.3
447.25867	2.6
465.26871	2.2
489.26898	4.3
491.28375	2.1
507.28091	100.0
508.28265	4.2
551.30865	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	551.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92835	18.9
61.98821	45.2
69.32401	100.0
78.95882	39.2
96.95995	43.6
123.99228	21.3
125.44217	26.8
152.99586	22.1
249.06143	41.0
420.36874	22.8
445.41785	25.8
528.91895	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38701	4.9
70.10687	14.4
78.95890	100.0
82.15595	4.6
85.46320	5.0
88.00520	4.5
94.92506	51.9
98.22585	6.9
111.39811	3.9
114.33624	4.0
121.02995	8.3
127.06262	4.3
138.77344	4.5
144.86783	4.7
152.99583	27.2
154.91533	6.6
163.89722	7.8
177.41560	4.7
178.88426	7.4
179.89201	38.8
181.90720	17.9
182.40398	4.6
196.68401	4.6
196.89447	19.6
197.85803	9.9
205.90697	20.4
208.89362	4.7
209.67194	4.2
210.94080	10.7
228.95131	9.0
235.91875	20.3
269.99997	5.9
279.23291	19.0
314.79062	4.6
323.11978	4.8
453.84146	5.2
516.15887	60.4
526.48816	6.3
551.20636	5.1
551.29468	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31420	0.5
59.01377	11.1
61.98830	0.5
70.94618	0.6
71.01379	1.8
73.02946	0.6
85.02978	0.5
89.02422	1.8
96.96016	0.6
97.14568	0.4
101.02461	2.4
105.00343	0.4
113.02452	1.2
119.03465	0.8
161.04597	0.7
191.05574	1.1
235.08235	2.5
242.66893	0.4
253.09277	12.1
255.23283	100.0
256.23566	2.1
483.27386	0.5
491.31873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19046	1.9
55.64428	2.0
59.01381	16.9
61.98819	2.2
71.42107	2.2
78.95901	5.4
86.81050	1.9
89.02437	2.8
93.14874	2.1
101.02391	3.4
167.98686	2.2
187.37328	2.0
224.07127	2.6
235.08356	3.4
253.09306	11.9
255.23283	100.0
256.23523	3.1
269.24860	23.2
374.71948	2.2
494.32434	21.9
551.38068	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	552.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80958	1.3
68.13927	1.4
70.98109	2.2
72.60048	1.5
76.73992	1.5
78.95899	100.0
93.45785	1.5
96.96011	19.1
99.92551	2.4
132.78070	1.4
152.99553	8.9
163.07637	1.7
163.89725	9.6
164.90509	6.1
177.89738	2.1
178.88382	9.8
179.89198	66.7
180.23236	1.5
180.90054	7.4
181.90762	25.3
185.43578	1.6
196.89478	31.8
197.85817	9.6
197.89534	1.7
199.87450	1.9
205.90779	27.3
208.89436	4.3
234.91191	1.6
235.91812	28.7
279.23334	15.1
444.95215	2.3
457.11044	2.0
459.12415	3.8
498.14822	10.2
514.16309	2.3
516.15820	98.9
517.15985	7.8
552.13361	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	552.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61752	1.0
59.01383	4.9
61.98818	7.7
70.82627	1.6
71.01359	1.1
73.02916	1.1
87.00871	2.2
93.03406	1.1
101.02420	1.6
106.43198	0.9
131.03758	3.3
144.04561	6.4
145.17023	0.9
146.06107	100.0
147.06490	1.1
155.10759	10.4
167.57430	0.9
171.10257	9.6
185.11798	2.9
190.05057	8.8
191.05653	2.6
195.10085	1.7
199.09766	1.7
213.11288	3.9
217.10776	17.6
241.10788	2.0
245.07645	0.9
259.11813	2.5
291.65817	0.9
299.15613	0.9
301.12811	3.0
361.14975	2.8
467.15237	1.5
476.79367	1.0
483.49658	1.0
508.21719	3.2
508.28647	1.1
552.20850	77.1
553.21033	2.0
569.62421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
59.01378	20.6
59.74640	0.8
60.75857	0.7
61.61447	0.6
61.98830	1.5
67.01878	0.8
69.03452	5.5
70.28500	1.6
71.01375	8.1
72.99288	0.7
73.02959	0.7
79.05534	1.2
80.05050	8.7
83.01400	1.0
85.02930	2.0
87.00868	1.4
88.98811	2.5
89.02445	9.5
93.03479	1.0
93.07098	3.9
94.85549	0.7
95.05045	1.1
97.02946	34.4
98.06162	0.7
98.21938	1.0
99.04536	1.9
100.11297	0.7
101.02437	4.6
105.07086	0.7
106.06630	1.0
108.02187	1.2
109.02963	4.0
111.04533	2.9
113.02441	2.7
119.03492	4.3
119.69376	0.6
120.01254	0.8
121.02970	1.3
122.03676	0.9
123.04527	11.2
125.06114	1.5
134.03734	2.6
134.09769	3.4
135.04488	2.3
137.06068	4.2
137.48366	0.6
146.09773	0.8
148.11388	1.7
149.06050	4.4
150.03198	2.1
160.11288	1.7
161.04579	1.4
161.06033	0.8
165.05539	2.5
173.04504	1.9
178.02731	0.9
178.08829	1.4
179.05579	0.8
186.12912	1.6
191.05688	4.2
191.07201	0.8
192.10316	1.6
193.05029	2.8
194.05371	1.8
204.10294	1.0
213.33147	0.9
218.11711	0.9
228.13902	1.3
230.11879	4.9
238.16122	1.2
240.17596	10.3
266.15469	2.0
274.10861	3.0
284.16547	32.9
285.05859	1.1
285.17133	0.8
310.14587	0.9
328.15524	100.0
329.15720	3.3
372.14590	8.8
390.12769	1.7
423.08817	0.8
473.30670	0.7
493.22992	2.9
552.21069	7.2
552.28333	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	552.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
61.98821	10.7
69.20739	15.4
79.95746	2.5
83.05028	6.1
89.81269	2.9
93.03446	3.1
97.02924	3.8
105.75391	2.8
109.06595	14.0
125.09672	3.5
130.29274	2.4
136.55151	2.5
139.07657	2.3
163.11218	11.2
165.12782	2.9
171.10309	5.5
181.12398	3.4
185.11758	5.5
207.10252	30.2
209.11823	100.0
210.12180	3.4
225.11349	16.3
227.12875	18.9
262.49380	2.9
278.50696	3.1
299.15106	4.1
305.13916	4.0
390.88705	2.6
399.21384	4.4
465.24826	5.5
473.25354	24.2
491.26443	16.5
509.27789	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	552.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62635	0.4
61.98829	100.0
62.97898	0.4
71.39812	0.4
124.49203	0.4
189.44350	0.4
221.05666	0.4
299.95163	0.4
455.01816	0.4
513.60803	0.4
527.78418	0.4
537.74109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49910	0.3
61.98829	100.0
63.04882	0.3
71.04548	0.4
139.86658	0.4
483.65997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02286	0.2
61.98829	100.0
69.14446	0.5
69.14849	0.8
80.68081	0.2
89.04151	0.2
110.28098	0.2
123.15573	0.2
181.80107	0.2
447.04297	0.2
513.65302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0004
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70030	1.6
69.03445	17.4
71.01368	3.2
71.05004	5.1
71.41183	2.1
85.02947	3.9
87.04502	3.7
111.00864	3.0
112.01667	7.6
113.02448	81.3
114.98236	1.5
115.04008	56.9
124.07792	1.8
133.01480	2.1
157.01421	6.8
159.02988	100.0
177.27623	1.8
196.98581	49.2
198.98398	2.5
200.64886	2.0
209.06706	2.4
214.98616	2.0
252.95184	3.3
258.00644	2.3
275.55295	1.6
304.17239	1.6
338.97952	2.8
342.52438	1.8
348.97302	34.9
371.79050	1.8
378.99506	2.4
383.63297	2.0
392.95651	5.4
394.97607	6.5
545.66418	1.9
558.03101	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	553.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40191	1.2
54.06511	1.5
57.03443	2.3
59.01379	59.2
60.99308	11.4
61.98827	5.7
69.03448	3.1
71.01383	30.5
73.02948	7.8
83.01376	3.8
85.02949	13.3
86.02070	1.6
86.72803	1.5
87.00864	4.4
87.04520	2.0
88.98803	70.1
89.01925	2.4
89.02441	22.4
93.03432	6.5
96.96026	6.4
99.00864	2.1
101.02433	23.1
106.04253	2.3
107.01424	1.6
107.05035	3.2
111.04487	2.1
113.02448	19.9
116.92868	5.9
119.03497	9.2
119.05028	2.4
121.02926	3.4
123.04527	2.0
125.02436	2.4
126.67892	1.2
127.04047	1.3
129.01918	1.4
131.03513	1.7
133.02983	1.7
134.03737	3.0
137.02448	2.5
139.04018	7.2
143.03484	2.0
147.04546	2.0
151.00348	7.0
151.04071	2.0
159.03020	2.2
159.08057	1.5
160.05327	1.4
161.04585	6.6
161.09744	5.2
163.00362	1.8
173.04623	1.9
174.06886	2.5
177.01797	1.5
178.99846	3.8
179.05605	5.1
189.09204	46.5
191.05611	5.3
193.05038	1.6
193.37572	1.4
205.08699	1.9
209.11919	1.6
215.07164	3.5
221.06543	1.5
227.12801	3.6
233.08192	19.8
243.02945	4.5
254.02237	1.7
255.02997	15.2
271.02478	31.7
277.07086	2.6
292.56360	1.8
300.02737	69.9
301.03525	34.7
367.13678	1.5
379.19754	3.8
390.92853	1.8
395.13586	10.8
439.12314	16.3
439.17245	2.1
449.27393	6.7
455.11948	1.7
463.08817	100.0
464.08987	3.0
465.26874	1.9
467.27963	1.6
476.24844	1.5
493.22769	8.0
511.30753	1.8
552.31482	3.6
553.14954	1.7
553.31537	11.0
575.59351	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	553.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72083	5.0
59.01382	67.7
61.98823	22.8
63.09157	4.6
64.49270	4.8
69.11008	32.3
71.01363	20.2
82.11108	5.1
85.02952	16.3
87.00881	6.3
89.02441	6.9
93.03419	9.4
98.22636	8.3
101.02429	14.3
113.02447	6.2
121.02933	10.7
167.03444	7.1
173.04456	6.8
187.99545	5.2
191.05637	38.6
257.17679	6.7
267.06561	7.6
279.06516	8.5
291.06558	9.1
295.06070	19.0
307.06131	35.7
309.06973	6.0
310.08392	14.8
311.08902	5.8
322.08316	16.9
325.10794	74.0
329.20981	27.4
337.10825	100.0
338.10962	7.9
347.22208	6.1
349.20203	72.2
373.19604	6.0
379.17926	7.0
391.21024	9.6
419.22955	14.1
449.27643	25.5
467.28699	6.6
489.59952	6.5
503.15765	6.9
508.28589	7.7
551.18402	5.7
553.14514	14.2
553.27673	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	553.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.23404	0.3
57.03432	0.5
59.01378	13.0
59.27851	0.3
61.98810	0.5
69.03459	1.6
71.01374	6.6
71.41168	0.3
73.02937	1.9
81.03489	0.4
82.88370	0.3
83.01371	0.7
83.05025	5.9
85.02951	2.1
87.00898	0.7
88.98795	1.7
89.02433	5.7
93.03453	15.5
95.01373	0.4
95.05035	3.0
96.96014	0.5
99.00867	0.5
101.02432	4.0
102.98612	0.4
113.02444	8.3
116.92884	0.7
119.03548	2.2
119.05006	5.5
121.02868	0.3
121.05024	0.7
123.04506	0.3
125.02407	0.4
127.03996	3.6
131.03528	0.5
133.02910	0.3
133.06575	1.5
134.03732	0.5
137.02467	0.3
139.04033	1.7
139.11166	0.3
143.03479	0.6
145.06607	0.3
146.03712	0.7
147.04520	8.2
147.08153	1.4
149.04645	0.3
156.05782	0.4
159.04471	0.4
159.08122	1.1
160.05315	1.1
161.04546	1.7
161.06059	3.0
161.09700	1.5
171.08112	0.7
172.05260	0.8
173.06036	0.6
174.06825	0.9
179.05548	1.9
187.07629	7.6
188.08406	0.9
189.09198	100.0
190.09538	1.9
191.05589	0.4
205.08701	1.8
209.11887	0.6
215.07141	0.3
227.12872	1.5
231.06577	0.3
233.08168	68.0
233.71260	0.4
234.08501	1.3
265.09280	0.3
275.09198	0.3
277.07117	5.5
277.09799	0.5
283.10303	0.7
305.23212	0.3
391.27240	0.4
395.13449	32.4
396.13834	0.6
439.12405	44.5
440.12750	1.5
449.27594	0.5
467.28458	0.5
493.22733	0.7
501.86838	0.3
535.24115	0.7
553.15576	2.4
553.24866	7.9
553.32513	1.6
554.24994	0.3
558.08234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94743	0.5
55.71711	0.5
57.03443	0.6
59.01379	4.6
61.98812	1.0
69.03461	2.6
69.61312	2.3
71.01379	2.1
73.02940	0.8
73.40192	0.5
75.00854	1.0
83.01366	0.7
85.02944	1.4
88.98798	0.8
89.02460	0.9
93.03464	4.6
95.05031	3.7
96.96008	5.7
101.02423	1.1
105.03485	1.7
113.02447	12.8
113.03239	0.7
121.02935	1.8
123.04520	58.9
124.04894	0.5
132.05806	5.7
134.44611	0.6
139.04037	3.2
149.02438	62.8
150.02814	0.5
152.01106	0.9
155.75262	0.5
159.04558	0.6
160.05304	0.8
161.09712	33.9
167.03494	0.9
189.01898	0.9
189.09175	6.1
190.02693	1.5
191.05556	0.9
215.07123	0.7
232.07405	0.8
233.08168	100.0
234.08559	1.8
268.69391	0.6
289.10678	0.5
395.13324	1.2
493.30270	1.8
514.49109	0.5
534.86511	0.6
537.98480	0.5
553.32471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27623	0.5
57.03445	0.9
59.01378	5.9
67.01871	0.6
68.99798	0.6
69.03454	1.3
69.60500	1.1
69.60846	1.3
71.01376	4.8
71.03663	0.5
73.02942	1.5
77.54237	0.5
79.01874	0.7
81.03448	2.2
81.13700	0.6
83.01388	5.4
85.02947	1.7
85.89890	0.5
86.51862	0.5
87.00883	0.6
88.98810	3.0
89.02444	1.9
93.03442	2.4
95.01387	2.1
95.05018	1.1
97.02947	5.3
98.22585	0.8
99.00845	0.8
101.02470	2.6
101.03964	0.7
105.41595	0.7
107.01404	1.5
107.05021	1.2
108.02191	1.2
109.02958	3.3
111.00844	1.2
111.04559	2.8
113.02438	4.5
115.03960	0.5
119.03525	0.9
119.05016	9.0
120.01254	0.5
121.02948	9.0
123.00883	1.1
123.04527	2.4
124.01634	0.7
125.02433	9.1
133.06590	0.7
134.03664	0.5
135.04495	2.3
137.02437	3.9
137.06174	0.7
139.04010	9.2
141.07082	1.8
143.04999	1.1
145.02945	15.0
147.04527	1.2
149.02437	1.7
151.00360	1.0
151.03978	1.8
153.05595	0.8
155.03476	1.3
155.04980	0.6
155.08623	1.3
156.05771	1.1
157.06590	4.1
159.04462	0.7
159.08220	0.6
161.06082	1.8
163.00433	0.8
163.03999	0.8
164.04756	0.6
165.01947	2.6
165.05565	0.9
167.03500	14.1
169.06590	1.9
171.08099	1.2
177.01933	1.7
178.02628	0.9
179.03459	1.2
181.06546	1.0
182.02264	1.5
183.04495	1.4
183.08110	0.9
184.05283	1.4
185.06076	7.0
187.03967	1.0
191.03711	0.7
191.05650	2.2
193.01407	2.0
193.05038	1.2
195.08141	1.0
197.04518	7.1
197.06099	2.8
199.03961	0.8
199.07628	4.0
201.05515	2.8
203.07117	1.6
205.01521	0.7
209.04483	1.2
211.07655	1.2
213.05647	1.5
213.09235	1.5
215.07188	0.8
223.07631	3.7
225.05598	3.8
225.09193	0.9
226.06343	0.8
227.03618	0.9
227.07271	3.3
229.05023	6.9
235.02448	1.1
239.07115	1.5
241.05058	3.1
241.08730	1.7
242.06065	0.5
243.06689	0.9
251.07141	2.2
253.05048	0.9
253.08580	0.6
255.06592	3.8
256.07571	0.6
259.06183	0.7
267.03485	0.6
267.06503	1.2
269.08075	1.3
271.06088	14.9
271.09058	0.7
281.04523	0.7
283.06110	5.8
285.07944	0.7
295.06271	1.4
297.07681	1.6
301.07199	5.8
313.07159	100.0
314.07416	2.7
325.07156	5.5
327.08621	0.6
329.20938	3.0
343.08188	70.1
344.08426	1.9
355.08157	3.7
358.40445	0.6
373.09241	20.1
373.18704	3.3
385.09265	2.2
391.10196	2.7
391.21497	0.6
397.09415	1.4
403.10406	1.0
415.10303	8.7
415.33200	0.6
427.10141	0.7
432.20148	1.0
433.11337	23.0
445.11304	6.1
463.12473	4.1
466.19302	1.0
475.24362	0.7
517.13403	0.7
535.14624	2.2
553.15607	12.1
553.25049	10.1
553.33362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03435	1.5
59.01380	26.7
60.99326	1.1
61.98831	2.8
64.29379	1.0
69.03453	5.2
69.17966	6.6
71.01379	24.7
73.02942	18.7
83.01384	3.6
83.05024	1.4
85.02949	10.3
87.00842	2.3
88.53808	1.2
88.98811	3.2
89.02429	6.6
93.03466	12.9
95.01384	2.7
96.96028	2.2
98.22608	2.6
99.00900	2.0
99.04527	3.0
101.02438	13.8
106.04254	7.6
106.04849	1.2
107.05045	1.9
108.02194	2.4
111.00882	3.5
113.02447	33.4
114.02795	1.3
116.92891	1.5
119.03571	2.0
119.05023	12.0
121.02962	2.1
123.04477	2.8
125.02502	1.7
132.05812	4.4
134.03725	3.5
135.04491	2.8
137.02431	3.3
139.04016	6.3
145.06584	12.8
146.31018	1.1
147.04604	1.2
156.00645	9.9
159.03052	1.7
159.08144	12.5
160.05287	10.6
160.08928	9.6
161.04556	11.9
161.09714	94.7
162.10046	1.8
167.03513	2.1
171.86166	1.3
173.04616	1.7
175.07610	4.0
179.05675	1.8
189.09192	19.9
191.05598	5.5
203.10789	2.0
205.08685	100.0
212.02118	1.0
215.07187	2.7
215.10658	1.4
220.31036	1.2
233.08160	32.0
233.11743	1.7
234.08656	1.4
277.07159	6.9
278.01584	1.4
363.20026	2.1
367.13928	17.6
395.13437	60.6
396.13715	2.4
439.12442	43.3
449.27667	2.8
493.22559	1.8
493.29691	2.0
552.31287	7.3
553.15326	10.1
553.32220	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	553.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36804	1.1
55.01876	1.2
57.03453	1.5
59.01376	21.0
61.98834	1.6
68.99812	1.3
69.03115	0.9
69.03442	6.6
71.01383	19.7
73.02939	16.3
73.03317	1.7
83.01382	2.2
83.05026	1.2
85.02944	9.0
85.82545	1.0
87.00900	1.5
88.98797	3.1
89.02429	5.8
90.47951	1.1
92.76189	1.0
93.03448	9.4
95.01414	1.8
95.05009	1.1
96.96015	2.3
97.02792	1.0
98.22708	2.0
99.00856	2.6
99.04506	3.6
100.01680	1.3
101.02438	11.9
106.04263	8.4
107.05033	3.2
108.02199	2.5
109.02985	1.0
111.00926	1.8
111.04539	1.5
113.02448	29.2
119.03528	2.3
119.05033	10.1
121.03013	1.4
123.04565	2.4
128.01176	1.4
132.05814	3.2
133.61536	1.1
134.03720	4.2
135.04517	2.0
139.04016	10.7
145.06592	14.3
147.04559	1.5
154.74727	1.0
156.00665	9.2
159.03116	1.5
159.04532	1.7
159.08127	11.3
160.05305	8.8
160.08928	11.5
161.04564	10.3
161.09714	82.1
162.10069	2.6
165.22389	1.1
167.03448	1.6
173.04570	1.4
175.07675	2.2
177.01886	1.3
179.05586	1.3
187.07655	1.6
189.09189	21.2
191.05647	3.0
203.10918	1.5
205.08685	100.0
206.08974	1.4
215.07249	1.5
215.10855	1.8
233.08174	38.6
234.08514	1.7
277.07123	5.7
303.21658	1.3
340.27960	1.2
367.13977	14.7
379.19495	1.0
395.13464	63.4
396.13718	2.0
413.72217	1.3
439.12381	38.2
440.13211	1.1
493.29843	2.8
552.31232	3.0
553.15161	8.3
553.32098	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	553.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03438	0.3
57.89902	0.1
59.01382	3.9
60.99298	0.3
61.98806	0.2
63.67868	0.1
69.03456	1.3
71.01385	3.9
73.02947	1.0
77.97469	0.1
81.03471	0.7
83.01373	0.4
83.05024	5.7
85.02945	1.6
87.00875	0.4
88.98803	2.4
89.02450	2.4
90.77932	0.1
93.03458	16.2
95.01349	0.2
95.05028	2.9
96.96017	0.8
97.02956	0.2
99.00881	0.3
101.02439	1.9
107.05019	0.3
108.02143	0.2
109.02936	0.3
113.02451	5.8
116.92817	0.2
117.03418	0.2
119.03512	0.6
119.05023	4.7
121.02978	0.5
123.00906	0.2
123.04523	4.3
127.03134	0.3
127.04015	3.8
131.03497	0.3
131.04994	0.3
132.02133	0.2
132.05814	0.5
133.02940	0.2
133.06595	1.6
134.03735	3.3
135.04477	0.2
136.01668	2.3
137.02437	0.7
138.03191	0.3
139.00482	0.2
139.04018	1.1
143.03494	0.3
145.02936	0.3
145.06541	0.4
146.03728	0.7
146.07365	0.1
147.04526	8.6
147.08147	1.6
149.06082	1.9
151.04021	2.6
153.05539	0.2
156.05814	0.4
159.04565	0.3
159.08156	0.7
160.05264	1.2
161.02449	0.2
161.04572	1.1
161.06065	3.2
161.09703	1.6
163.04115	0.2
166.02789	0.2
166.99843	0.2
171.08156	1.5
172.05319	0.9
173.06053	0.8
174.06856	1.0
178.02705	0.1
179.05568	0.7
181.01476	0.2
181.04973	0.3
182.02293	0.3
183.02933	0.6
186.06871	0.4
187.07643	7.4
188.08430	1.0
189.09207	100.0
190.09528	2.0
191.05664	0.4
193.05049	0.3
197.04576	0.7
203.07117	0.2
203.10826	0.1
204.23492	0.2
205.08710	0.7
211.06137	0.4
215.07149	0.4
217.14441	0.4
228.07829	0.3
229.08681	5.3
231.10268	0.3
233.08177	61.8
234.08551	1.1
275.09357	0.2
277.07156	6.3
277.10202	0.3
303.21829	0.2
312.68201	0.1
326.06351	0.2
327.07150	0.9
335.17334	0.2
341.08771	1.6
351.14493	0.2
379.19644	2.2
390.01608	0.1
391.13885	1.7
391.26996	0.5
395.13449	27.6
396.13855	0.6
399.20288	0.1
407.23050	0.2
439.12433	36.1
440.12784	1.2
493.13672	0.5
517.22339	0.2
535.14697	0.8
535.31079	0.2
553.15363	3.1
553.32446	2.1
554.15295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1751
Annotation	Bidebiline B
Peak:m/z	Relative Intensity
52.97118	1.4
59.01378	18.6
61.98837	9.5
63.55358	1.4
69.03429	2.8
69.19881	4.7
69.20290	3.2
71.01385	6.9
73.02937	3.2
74.99073	2.2
82.95428	2.9
83.01361	1.6
84.95147	1.7
85.02959	5.0
87.00882	4.9
88.98803	1.4
89.02448	3.4
93.03477	2.2
96.96008	94.5
97.93118	2.1
99.92600	4.2
100.44838	1.6
101.02439	3.9
109.02827	1.5
109.06590	1.6
111.00878	4.1
111.04523	9.4
112.01684	1.7
113.02437	5.4
113.92652	1.5
114.93407	10.4
116.92863	18.2
118.96667	3.4
120.99657	100.0
121.02950	1.9
123.08109	1.4
134.03760	1.7
135.04482	2.6
139.04010	3.2
146.03764	2.2
148.86205	1.4
149.02463	1.6
149.06041	4.3
150.03212	3.4
151.03917	1.6
153.05539	1.7
155.03484	9.6
157.01408	4.7
161.02451	3.6
161.04561	2.8
161.05991	1.7
163.07617	8.0
164.04776	4.3
165.05534	3.1
173.04585	2.8
175.03999	3.2
179.03516	4.5
179.05437	3.2
179.07162	5.3
182.04022	2.8
191.05595	3.2
191.10796	5.3
197.04495	2.7
205.04915	1.6
207.06674	2.3
216.31247	1.7
217.00290	5.6
217.03592	2.8
221.57710	1.5
255.10309	2.1
269.11768	7.4
295.06082	1.9
298.08597	2.0
303.10529	4.4
307.06094	2.1
313.10843	4.4
319.06592	3.9
325.10794	4.4
337.10678	1.8
379.08701	13.2
391.12225	6.8
433.27856	1.9
453.27679	1.4
465.15582	1.8
538.15411	3.4
553.17676	69.0
554.17981	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	553.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93758	1.4
53.26305	1.7
57.15243	1.6
59.01378	10.9
61.98835	10.1
63.02391	6.5
64.13555	1.7
69.56855	2.4
69.57204	7.0
71.01381	3.0
73.02956	2.7
77.59727	2.1
79.56628	1.8
89.02431	2.2
91.01900	50.1
98.22610	2.4
101.02439	2.8
120.99642	3.6
122.03792	2.7
144.29254	2.0
146.08194	7.5
148.01643	2.9
155.69998	2.2
161.02473	3.3
169.06615	23.8
188.61790	1.7
195.08131	7.8
213.09206	6.0
227.10828	2.2
239.07138	100.0
240.07430	3.5
257.08218	32.6
277.12134	5.9
329.20715	2.2
351.07919	2.0
387.13733	2.3
462.85101	1.8
517.20190	25.5
553.47125	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	553.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
59.01375	64.7
61.98832	12.5
67.03889	2.5
71.01388	24.2
71.41400	2.6
73.02943	31.2
75.00900	3.2
81.03460	2.8
82.95405	4.2
83.01395	13.4
83.05013	2.4
84.95105	2.9
85.02937	7.5
87.00896	3.7
88.98814	3.0
89.02441	9.8
93.03470	4.6
96.96003	27.3
97.02952	4.6
99.04520	8.1
101.02443	29.0
106.94440	2.7
108.02175	26.9
109.03004	3.0
113.02447	15.5
114.93409	4.4
119.03484	5.9
120.99609	6.6
121.06574	5.1
122.03664	2.8
123.04552	17.1
123.08156	6.6
125.06077	7.3
129.72597	2.2
131.03481	2.6
135.08188	4.7
137.02373	3.2
137.06059	4.2
137.09766	5.1
139.03943	3.1
139.07664	4.3
145.08322	2.6
150.03239	4.3
152.01155	58.5
153.09206	2.8
161.02411	6.5
161.04562	7.4
163.07571	8.5
164.07198	3.7
165.05583	5.6
166.06287	2.3
167.03491	100.0
173.04526	3.7
175.04089	3.0
181.08693	27.3
191.05611	7.0
197.11743	3.3
199.09744	34.1
212.37500	2.3
221.06731	3.5
223.09702	6.0
229.12344	5.4
254.09439	4.3
265.10590	3.1
269.11865	3.7
287.12912	5.9
305.04254	3.0
305.13705	3.8
323.07874	3.0
338.83755	3.0
343.14008	6.6
361.15082	17.9
385.15057	8.8
403.16071	51.4
444.77765	2.7
445.16656	2.9
487.17438	3.5
509.19968	3.4
517.18567	3.6
553.18866	19.6
553.28961	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	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.2
59.01377	15.3
61.98829	2.2
65.03984	0.9
67.01878	3.7
67.05518	3.2
68.48883	0.7
69.03455	5.2
71.01388	6.8
71.12728	1.0
73.02934	1.4
78.41602	0.7
81.03463	1.3
83.05024	9.6
85.02943	3.7
87.00876	44.7
89.02455	9.1
93.03464	5.7
95.01390	1.4
96.02184	4.5
96.95981	1.0
101.02444	3.4
109.02958	5.0
109.61082	0.8
110.92281	0.8
111.00883	41.9
111.04521	49.7
113.02438	9.0
116.92838	1.7
119.03477	3.0
119.71257	0.7
120.99649	4.9
122.03715	1.0
125.06145	0.8
129.02011	1.2
129.87912	0.7
135.04460	0.8
136.01651	2.0
137.02411	3.9
137.09692	1.2
137.52815	0.8
139.04008	2.7
143.03458	1.7
145.86690	0.8
149.02457	1.0
150.03235	5.3
151.03996	1.7
153.01938	0.9
155.03505	100.0
156.03815	1.6
157.01428	2.8
161.04576	1.3
165.05580	5.8
179.03528	2.6
179.05609	5.1
186.31874	0.8
191.05672	1.2
195.06657	3.5
197.04530	2.8
199.02469	7.8
217.03510	3.2
227.05481	1.5
231.05118	1.3
285.05853	1.0
291.07208	2.2
319.06711	6.7
327.12384	1.2
339.12271	1.3
379.08804	17.5
463.75082	0.8
505.18900	0.9
516.17670	0.8
517.18787	1.6
553.18719	4.4
553.28009	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.8
59.01375	34.6
61.98822	7.2
65.03983	2.8
67.01899	2.9
67.05498	2.6
69.03458	15.9
71.01379	15.0
71.41673	2.5
72.99290	2.7
73.02947	9.9
75.00877	2.5
81.03487	2.1
83.01385	3.9
83.05025	10.2
83.46187	1.7
85.02947	14.4
87.00873	52.2
87.01386	3.8
89.02435	13.2
93.03452	6.4
95.01394	3.4
96.02180	4.1
96.96019	13.9
99.00850	2.4
101.02442	7.5
103.01475	4.3
104.03473	1.8
105.01934	8.2
109.02959	8.1
109.06577	2.4
111.00880	41.0
111.04518	53.1
112.01671	3.5
113.02462	19.7
116.92914	2.8
119.03499	3.6
127.03987	3.0
129.01987	2.0
129.05576	2.6
135.04507	2.9
137.02443	6.1
137.06134	2.5
139.03996	3.0
145.90518	1.9
149.04587	2.5
155.03506	86.3
157.01408	20.9
161.04594	3.3
161.92989	2.2
173.04544	4.9
179.03456	3.5
179.05678	5.5
181.08696	4.8
197.04561	3.5
199.02483	7.6
199.09721	5.5
217.03540	27.3
227.10637	3.9
227.49231	2.0
259.04657	4.8
269.11771	2.2
289.05652	5.2
307.78189	2.6
319.06702	38.8
329.20825	2.8
379.08810	100.0
403.16159	7.1
444.88989	2.1
509.20074	5.7
553.19293	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	553.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.67769	0.9
55.75845	1.0
57.03442	5.9
59.01076	2.1
59.01378	43.7
61.98819	4.1
65.03963	2.1
67.01871	2.9
67.05524	3.7
67.84058	1.0
69.03458	18.6
71.01382	21.5
73.02947	16.7
81.03452	2.9
83.01381	5.7
83.05022	11.9
83.35071	0.9
85.02959	13.0
87.00875	55.1
89.02447	9.2
91.05531	2.4
92.50973	1.1
93.03469	8.4
95.01392	3.4
95.05029	3.5
96.02184	5.0
96.96015	20.5
97.02978	1.5
97.06609	1.5
99.04520	1.9
101.02456	11.3
103.01498	3.3
106.04229	1.2
107.05025	3.2
108.02164	1.7
109.02962	7.9
109.06581	7.9
111.00288	0.9
111.00877	44.4
111.04523	65.3
112.01661	3.5
113.02446	24.6
116.92846	1.5
119.03494	3.6
121.06585	2.2
123.04517	7.3
125.02461	2.2
125.06086	3.4
127.03989	2.6
129.01900	1.3
129.05591	1.5
131.03529	1.7
135.04533	6.2
137.02470	7.3
137.25439	1.1
139.03990	2.6
143.03502	1.7
149.04523	1.1
151.04010	2.2
153.01927	2.1
153.05556	4.9
155.03503	100.0
157.01424	22.3
157.02670	2.2
160.01669	1.7
161.02431	1.8
161.04593	5.6
165.05557	4.4
169.05061	2.4
171.02954	1.0
173.04517	3.1
175.03995	2.5
179.03491	23.7
179.05571	4.3
180.41667	1.2
190.02621	1.2
191.05656	1.5
197.04550	25.6
199.02502	8.5
209.04590	3.3
217.03514	20.2
227.05565	10.4
232.27100	1.0
257.06662	5.8
259.04578	8.7
269.11682	1.6
273.09903	2.1
287.12930	1.8
289.05679	3.2
291.07254	1.9
305.06882	1.7
319.06708	30.0
361.07550	1.4
379.08795	91.9
380.09201	1.4
404.92020	1.0
467.11447	2.5
509.20416	3.1
553.19275	16.4
553.27191	1.8
579.53296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67413	0.7
57.03442	0.9
59.01379	7.9
60.45031	0.5
61.20731	0.6
61.98821	1.6
69.03429	1.3
69.10577	2.5
69.10995	1.5
71.01386	4.1
73.02945	1.4
74.28322	0.7
83.01350	0.6
83.05012	1.6
84.95140	0.7
85.02935	2.2
87.00871	5.9
89.02438	7.0
90.98580	0.8
93.03460	5.8
95.01388	1.5
95.05029	1.1
96.02174	0.8
99.00885	2.4
99.92595	0.9
101.02447	3.1
105.03452	0.7
107.05009	2.1
108.02149	2.8
109.02968	1.5
111.00872	4.9
111.04523	6.1
113.02425	1.7
116.92850	6.1
119.03499	0.7
121.02957	18.5
122.03740	15.4
123.00866	1.2
123.04526	3.2
124.01640	0.8
131.03513	1.5
132.02162	1.0
133.02953	2.8
134.03697	1.9
135.04530	16.6
136.01662	20.4
136.05241	2.0
137.02431	7.2
139.03998	1.1
145.02957	1.2
146.03746	1.7
147.04486	2.9
149.02446	35.6
149.04507	4.2
149.06009	2.1
150.03223	66.7
151.04001	21.1
155.03505	14.8
157.01393	0.9
159.04518	1.1
160.05261	1.5
161.02455	1.7
161.06056	2.0
162.03194	2.0
163.03998	5.4
164.04781	9.1
165.05562	64.8
166.05875	1.0
172.05267	2.5
173.06116	0.9
175.03989	9.6
175.07625	1.1
176.04741	1.2
177.05621	3.6
178.02724	2.0
179.03442	1.0
179.05614	0.6
179.07098	1.5
180.04225	3.5
187.04051	1.1
189.05571	5.5
190.06322	8.8
191.05568	1.6
191.07100	1.1
193.05032	2.2
195.06622	29.3
198.40276	0.7
199.02396	1.2
205.08669	1.8
217.03519	1.3
223.03969	0.7
225.05647	0.8
233.98137	0.7
241.05090	0.7
252.04256	2.2
255.06696	0.9
256.07376	0.9
267.06656	1.4
270.08838	0.9
271.09750	1.0
279.06598	0.7
281.08224	0.9
284.06876	2.1
285.07767	1.6
299.09216	5.5
303.12430	1.0
310.08099	0.8
312.10004	0.7
319.06842	1.2
327.12375	6.0
329.20972	0.6
342.11139	1.1
343.12067	3.0
353.10492	0.9
357.13431	22.2
369.13391	1.3
379.08746	2.8
421.71115	0.7
460.15314	1.5
475.17694	8.0
487.17578	2.3
490.16266	1.4
505.18674	100.0
506.19122	5.3
523.19543	1.8
553.12860	0.7
553.20575	7.7
553.28290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16911	0.5
50.80988	0.4
57.12420	0.4
59.01371	2.4
61.98830	0.5
64.14423	0.4
69.24511	2.4
71.01382	1.2
71.97611	0.4
73.02943	0.8
85.02951	0.9
87.00892	0.5
89.02451	0.9
93.03465	3.2
95.05030	0.7
98.22575	1.0
99.00863	0.5
101.02432	1.2
102.17734	0.4
105.03457	0.5
106.04166	0.5
107.05067	0.6
108.02211	0.7
109.02969	1.0
111.00883	0.5
112.17754	0.4
113.02469	1.0
116.92844	0.9
120.99630	1.1
121.02948	5.7
122.03743	14.5
123.00833	0.5
123.04528	1.1
124.01634	0.7
133.02956	1.6
134.03761	0.8
135.04509	1.5
136.01662	12.2
137.02434	1.8
147.04497	0.7
149.02446	14.7
149.04395	0.8
150.03226	89.3
150.77333	0.4
151.04015	14.4
155.03535	0.8
157.01410	0.7
160.05336	0.7
161.02478	0.6
161.04633	0.4
161.06044	0.4
162.03217	0.4
163.03966	0.6
164.04807	4.1
165.05565	100.0
166.05928	1.0
175.03978	3.1
180.04291	6.1
189.05550	1.3
190.06310	3.2
195.06621	66.6
196.06937	0.9
214.35587	0.5
217.03638	0.6
243.10242	0.6
251.06763	0.5
252.04185	0.5
267.06473	0.6
269.04575	0.5
269.11749	0.4
299.09183	1.2
327.12338	5.6
339.12085	0.8
343.11722	1.1
357.13425	12.2
475.17523	2.5
487.17413	0.9
492.38727	0.4
505.18710	12.1
553.20215	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97068	0.4
59.01375	1.8
60.99303	14.2
69.29670	2.2
70.49574	0.5
71.01376	1.3
80.28029	0.4
80.66879	0.4
82.11354	0.4
83.64594	0.4
86.30634	0.4
87.00887	1.5
88.98804	100.0
89.02441	21.0
96.96008	1.3
96.99760	0.5
101.02438	0.9
113.02438	0.7
117.22735	0.4
122.82465	0.4
188.82065	0.5
217.98004	0.7
226.75459	0.5
343.83960	0.5
424.30179	0.5
462.76056	0.5
463.21826	1.5
493.22711	1.2
539.71313	0.5
547.66650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26555	0.6
50.59678	0.6
52.72256	0.6
56.84344	0.6
61.98811	0.9
71.42443	0.8
74.70851	0.6
78.95882	0.5
86.52911	0.6
93.03414	1.8
97.91758	0.6
121.02935	1.9
135.04456	0.6
137.02487	4.1
148.05280	2.1
163.03946	0.8
192.09967	0.6
198.17865	0.6
199.62183	0.7
209.06097	0.9
210.06848	1.1
211.07610	1.0
212.07971	1.0
222.06897	0.9
227.10736	0.9
228.10959	0.6
238.06358	3.2
239.07082	2.2
240.07553	2.5
242.31744	0.5
243.12407	1.0
252.07904	0.7
253.08731	3.6
255.10306	0.8
265.08618	0.9
299.12863	6.2
327.10092	0.7
341.11740	2.2
354.08911	1.8
356.10370	1.5
367.09616	2.9
368.10449	7.5
369.11267	70.8
370.12030	45.9
371.12793	3.1
373.10944	1.0
387.12192	1.2
402.11053	7.0
415.19061	3.3
433.99695	0.7
462.10275	0.8
468.18802	2.6
473.14063	0.8
491.14941	6.2
505.16537	15.3
505.24020	0.8
506.16989	1.2
519.18158	2.2
521.19635	100.0
522.20166	6.2
553.22272	64.8
554.22583	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	553.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06270	1.8
59.12863	1.7
61.98067	1.5
61.98832	3.8
70.87680	2.9
71.17325	1.7
72.33754	1.6
78.90439	1.7
82.00642	1.7
82.95441	2.2
93.03452	2.9
106.22688	1.8
121.02989	4.4
137.02451	3.0
148.05307	10.7
194.07361	2.3
199.03902	3.1
209.06133	12.1
210.06802	4.3
222.06892	5.6
223.07584	3.1
237.05499	5.4
238.06396	17.3
240.07858	4.2
241.08725	2.1
242.05368	2.0
250.06290	6.4
251.07010	2.4
252.07851	13.8
253.08698	16.3
255.06673	2.8
255.10265	3.9
257.11856	2.3
258.08987	2.0
265.08792	10.7
267.10187	16.9
269.08212	4.6
285.11310	8.9
287.12936	5.7
299.12857	51.6
313.68091	2.1
343.13641	2.5
368.10623	10.9
369.11270	2.7
371.13007	3.1
373.10718	5.1
387.12231	3.9
411.20508	2.2
489.13522	6.5
505.16757	3.5
519.18146	27.8
520.19055	3.7
521.20032	2.1
525.22711	5.5
535.21198	30.9
538.19409	2.8
553.22302	100.0
554.22430	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	553.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75290	0.5
61.99102	0.6
62.97111	0.5
64.97462	0.5
69.81908	1.6
82.13048	0.6
92.02696	1.3
95.01365	0.8
108.02171	1.1
120.44345	0.6
121.02950	2.3
136.01639	5.6
137.02429	1.2
148.05304	5.7
149.06053	0.6
163.07642	1.2
194.07353	1.1
209.06070	6.2
210.06819	4.4
211.07489	0.6
222.06895	1.0
223.07533	0.9
223.27669	0.5
224.08507	0.6
237.05554	2.1
238.06323	19.9
239.06757	0.9
240.07936	0.6
250.06297	0.8
251.07233	0.8
252.07909	3.4
253.08675	32.8
254.09140	0.6
254.13248	0.6
258.18771	0.5
265.08682	1.2
269.08112	1.3
299.12872	28.1
300.13385	0.7
303.44556	0.6
326.09381	0.8
327.10272	1.0
329.21005	0.7
341.11823	1.0
343.13443	1.4
354.08807	1.1
355.09860	1.0
356.10718	0.6
357.11200	1.1
368.10489	8.8
369.11273	71.6
370.12024	28.0
371.12674	3.0
383.12735	1.3
384.85828	0.6
400.09399	1.7
402.11044	11.5
433.86429	0.6
475.12027	0.6
476.12463	1.5
489.13586	1.5
490.13629	0.9
491.14908	10.5
505.16562	20.8
506.17209	2.4
509.23221	1.4
519.18073	2.2
521.19659	100.0
522.20050	5.1
523.21234	1.4
553.22333	72.3
554.22565	3.4
578.58246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03447	0.4
59.01372	3.7
61.98830	0.8
63.04742	0.2
67.05532	1.1
68.99817	0.7
69.03462	0.5
70.48409	0.5
71.01372	1.5
73.02947	0.7
81.03458	1.0
85.02953	0.7
87.00889	0.7
89.02452	1.2
89.41479	0.3
93.03448	1.0
95.04418	0.5
95.05026	8.9
101.02426	0.8
109.02972	0.4
111.00887	0.5
111.04532	0.7
113.02421	1.1
113.06116	0.2
113.24194	0.2
123.04505	0.2
124.01650	0.4
135.04475	0.3
137.02444	0.3
137.09746	0.2
139.04010	100.0
140.04327	1.1
148.83459	0.2
155.03528	0.9
157.04976	0.2
191.05649	0.4
201.62514	0.2
294.85498	0.2
305.08484	0.8
319.06787	0.3
379.08704	0.5
467.13589	0.4
509.20813	0.7
553.22424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42265	0.2
55.01868	0.5
55.82822	0.1
57.03431	0.4
58.36128	0.2
59.01374	2.3
61.98840	0.3
65.03960	0.3
67.05515	0.8
68.99821	1.0
69.03459	0.4
69.12707	0.8
69.13139	0.2
71.01379	1.2
71.32192	0.1
73.02962	0.3
81.03461	1.0
83.01398	0.2
85.02941	0.4
87.00857	0.2
89.02451	0.7
93.03459	0.5
95.05025	8.8
96.96033	0.4
101.02448	0.5
111.00871	0.2
111.04545	0.3
113.02467	0.6
113.06067	0.4
115.92937	0.1
119.03530	0.3
121.06567	0.1
124.01685	0.3
124.23326	0.1
137.09705	0.4
138.14688	0.1
139.04010	100.0
140.04349	1.0
179.05446	0.2
181.08611	0.3
191.05627	0.3
403.15778	0.3
553.22394	0.4
553.31287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03438	0.3
58.99314	0.2
59.01379	3.8
65.03952	0.3
67.05531	1.2
68.99818	0.9
69.03451	0.6
69.14478	0.7
69.14877	0.4
69.40138	0.2
71.01381	1.5
73.02911	0.4
77.16039	0.2
81.03436	0.9
83.01379	0.2
85.02952	0.4
87.00880	0.5
89.02441	0.9
93.03447	0.5
93.94723	0.2
95.05024	8.6
101.02435	0.6
109.02951	0.2
111.00908	0.2
111.04499	0.5
113.02459	0.7
119.03524	0.2
124.01621	0.4
135.04466	0.2
137.06094	0.2
137.09732	0.2
139.04008	100.0
140.04340	1.0
155.03487	0.8
157.01381	0.2
166.09082	0.2
179.05623	0.2
191.05659	0.4
208.68851	0.2
240.21298	0.2
263.79782	0.2
379.08664	0.8
433.28177	0.4
451.28885	0.3
553.23352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73313	0.4
57.39406	0.4
59.01373	1.4
65.99841	3.3
67.03015	3.3
69.20156	1.5
71.01366	0.9
73.54176	0.4
85.02939	0.5
89.02440	0.5
92.02542	1.2
105.03323	5.5
112.03720	0.4
113.02440	0.4
119.03550	0.4
120.01973	0.5
124.02872	0.4
133.05252	0.5
134.03613	3.4
135.09312	0.4
145.15112	0.4
146.03571	0.4
161.04662	0.9
166.09875	0.4
171.03107	2.4
172.03873	0.4
174.10341	1.8
175.02585	1.6
177.04448	0.4
184.10820	0.5
191.05583	5.2
191.12981	0.6
199.06296	0.9
199.09882	1.0
201.11458	1.1
202.09880	0.5
203.12994	0.5
216.12502	0.6
217.11075	0.5
228.09862	0.3
229.10968	1.4
234.13583	3.1
238.10933	0.4
242.11711	1.6
247.11729	0.5
255.12508	7.1
256.12024	18.5
257.12784	3.8
273.13577	0.5
274.13004	0.5
277.14124	0.6
301.17731	0.6
303.23096	0.4
311.19751	0.4
329.20914	100.0
330.21191	2.8
347.21979	15.4
353.08868	1.1
373.19888	13.3
374.19843	0.5
391.04248	0.5
391.20969	23.6
392.21283	0.6
433.21759	2.5
513.66113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64611	0.3
56.22940	0.4
56.34544	0.4
57.22845	0.4
59.01371	1.5
61.98822	1.4
62.17551	0.4
71.01353	0.6
73.02932	0.9
79.79485	0.5
82.08105	0.4
85.35972	0.5
93.03465	0.6
95.05030	0.5
101.02426	0.6
113.02467	0.6
130.08832	0.4
134.03691	0.5
135.04475	0.6
136.01781	0.6
136.73412	0.4
149.02377	0.8
150.03271	1.8
151.04007	0.8
156.49611	0.4
159.20227	0.4
165.05576	2.0
190.06413	0.5
195.06662	0.7
202.65543	0.5
213.61198	0.4
237.17413	0.4
274.83853	0.5
287.20334	0.7
305.21194	2.0
329.20935	1.5
349.20178	100.0
350.20432	2.8
357.13556	0.6
363.21533	2.4
391.21231	10.9
391.88522	0.5
415.54401	0.5
494.43619	0.5
505.18579	2.2
553.26611	6.7
581.29474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06629	1.9
57.03431	2.1
59.01377	100.0
61.98830	11.3
63.35055	1.7
71.01379	26.3
71.74191	1.8
73.02933	10.1
76.89906	2.0
83.01377	5.4
85.02939	13.5
87.00860	6.7
89.02437	10.5
91.13034	2.0
93.03487	3.2
95.01375	3.7
96.96015	3.0
97.02908	2.7
99.00860	2.2
101.02448	18.4
111.00945	2.3
111.04588	2.2
113.02446	17.0
116.92809	2.3
119.03487	3.0
120.01210	2.1
125.02433	4.7
134.03716	3.1
135.04524	2.4
137.02419	5.3
143.03490	2.7
146.06126	3.6
159.04393	2.3
161.04518	7.7
177.15192	2.1
191.05609	21.1
214.08636	2.3
216.98973	2.3
287.21875	1.9
303.21786	4.3
305.23282	11.3
329.20834	8.2
377.22723	1.9
391.04538	2.9
449.27493	85.5
450.27951	3.8
461.23779	3.3
467.28592	25.1
509.29572	5.0
517.14020	2.3
521.10974	2.3
553.27472	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	553.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20162	1.4
55.01872	1.9
55.52874	1.3
57.03438	1.5
58.85622	1.2
59.01378	100.0
60.99293	5.2
69.03454	3.4
69.47268	2.4
69.47663	3.0
71.01377	29.8
73.02946	11.4
83.01386	5.4
85.02945	14.5
87.00872	5.0
88.98805	38.8
89.02457	14.1
93.03458	14.9
95.01408	2.9
96.96021	3.7
97.02948	1.5
99.00869	2.7
101.02443	21.2
111.00876	2.0
113.02453	22.4
119.03507	5.0
119.05040	3.6
121.02963	1.6
125.02445	3.0
134.03740	2.4
135.04523	1.6
139.03970	8.4
143.03485	4.2
145.06584	2.1
147.04521	5.2
153.09294	1.9
159.08159	3.3
160.05275	3.3
160.08888	1.8
161.04567	13.0
161.09723	16.1
171.08087	2.2
173.11845	3.1
175.07584	1.5
179.05641	3.1
187.07655	1.6
187.13359	1.4
189.09206	21.6
191.05698	2.4
200.04691	3.3
205.08713	16.7
215.07115	22.1
217.14398	3.1
223.29543	1.4
233.08197	21.3
259.06097	18.9
277.07150	17.6
287.22400	1.9
302.03387	2.4
303.21783	3.1
304.04349	1.6
305.23303	15.1
347.24496	1.7
367.13254	1.5
395.13458	15.7
439.12421	16.6
441.21024	1.4
449.27563	83.4
450.27646	3.4
467.28586	27.9
493.30408	3.7
509.10699	2.3
509.29791	6.2
553.14771	2.5
553.31659	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	19.2
69.38029	4.6
69.38432	9.3
70.21667	2.5
78.95907	4.7
82.95409	7.2
83.95245	3.0
96.95969	2.5
103.97830	1.9
106.04269	3.6
124.00341	2.1
136.05301	9.1
137.06087	9.2
149.06094	5.8
162.03630	2.1
163.64857	2.2
164.04805	9.8
165.05553	19.4
167.01088	2.6
225.09207	3.1
239.10782	14.2
251.10590	3.9
252.11484	9.9
255.10172	14.0
256.11121	5.4
257.11761	5.6
267.10376	13.3
267.13889	7.8
268.11108	14.7
279.23236	9.9
283.13275	2.7
285.11267	19.5
286.12051	9.2
297.15085	2.8
308.10483	10.2
323.13000	10.6
335.52924	2.3
369.24399	2.7
383.56335	2.4
436.12497	2.3
525.22412	2.8
553.25928	100.0
554.26288	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	553.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88623	29.5
60.58112	28.3
60.93373	35.3
61.98818	31.6
62.15181	25.9
69.15500	28.7
69.79333	61.9
69.79715	65.2
70.70264	32.1
78.95897	59.1
82.95411	69.5
96.96039	35.0
98.22206	100.0
156.01328	25.8
218.79453	30.6
219.07172	27.7
263.51672	28.6
279.23322	44.9
317.18774	29.4
443.05414	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	553.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84410	0.4
55.01898	0.4
57.03468	0.7
57.19278	0.3
59.01384	0.7
62.23791	0.5
67.01883	0.9
68.18655	0.4
69.03458	9.4
71.01375	1.4
71.05025	2.7
71.09564	0.6
73.02946	0.5
76.44311	0.4
78.23333	0.4
78.52220	0.4
80.83164	0.4
83.05016	0.7
91.04022	0.5
95.05016	0.4
97.02928	0.7
97.06590	1.1
108.02180	0.5
108.67188	0.4
109.06591	0.4
111.04506	0.6
114.26902	0.3
123.08176	2.4
125.09725	4.4
137.09720	0.9
140.53958	0.4
142.43428	0.4
149.09767	1.0
151.11275	6.8
151.51883	0.4
153.12871	1.9
161.09708	11.8
166.52872	0.4
170.00836	0.4
179.10777	29.6
190.62344	0.4
197.11829	100.0
198.12155	1.5
213.11375	0.4
223.09760	3.6
237.22261	0.9
241.10808	10.5
255.23291	92.5
256.23627	2.5
297.13422	5.3
315.14450	10.7
490.44864	0.4
502.43356	0.4
553.37457	61.2
554.37646	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	553.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82137	2.5
78.95884	3.2
82.95406	6.8
94.24904	4.0
96.96009	4.3
128.17406	3.2
135.83417	3.3
141.12878	6.6
155.14246	3.1
211.20695	26.6
231.53212	3.2
249.22281	6.5
257.21201	46.4
279.23325	4.6
295.22760	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	554.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01379	70.6
61.98820	2.0
69.86479	2.0
71.01383	22.4
72.93077	0.6
72.99313	0.8
73.02943	2.8
83.01384	1.8
83.54135	0.7
85.02961	5.1
87.00842	0.9
89.02443	23.2
95.01369	1.7
97.02939	2.2
99.04530	0.6
101.02441	10.8
101.60944	0.6
111.04523	1.6
111.66300	0.6
113.02453	9.6
113.58829	0.6
118.06646	0.9
119.03502	8.9
120.08154	1.1
123.04519	1.0
125.06065	1.2
128.69173	0.6
131.03500	1.3
134.09698	0.8
136.01718	0.7
143.03525	1.7
161.04544	2.0
179.05632	4.2
184.58891	0.6
200.27510	0.7
226.15961	2.4
229.08611	0.8
252.13867	1.0
270.15012	3.9
271.15588	0.6
288.16089	0.7
314.14005	5.4
332.15097	6.2
359.55029	0.7
450.21503	1.7
472.65622	0.7
494.20316	100.0
495.20786	3.7
546.26233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.6
61.98828	62.8
71.01364	7.7
74.70324	2.9
75.21250	3.2
82.95399	4.4
85.02978	3.4
93.03434	3.1
100.04054	17.3
101.02423	8.1
112.04031	8.8
113.02481	3.7
116.92789	4.1
117.92904	4.1
123.04523	4.3
125.28448	3.3
130.70818	3.3
133.75903	3.2
135.45230	3.4
142.05092	4.5
191.05482	6.2
202.07146	8.7
241.56348	3.5
501.27597	3.9
518.26031	100.0
519.26233	7.4
554.23499	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	554.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80799	0.3
59.01379	0.6
61.98825	1.3
69.15749	0.8
69.16167	0.8
70.16726	0.3
75.11797	0.3
98.21889	0.6
113.02469	0.5
138.64539	0.3
180.69234	0.2
207.26971	0.3
279.12439	0.5
297.01785	0.3
303.19659	2.2
331.19208	0.7
349.20166	100.0
350.20547	3.2
363.21771	1.7
391.21225	4.1
471.29156	0.2
511.25476	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49189	0.9
55.01846	0.9
59.01380	11.1
61.98834	2.2
69.21609	4.5
71.01381	1.6
77.09762	0.8
78.19841	0.7
79.21098	0.7
83.05021	3.3
84.02135	1.0
85.02967	0.7
89.02422	0.9
98.55345	0.8
101.02451	1.8
137.02429	0.9
163.11320	1.3
165.12860	1.1
171.10255	5.3
173.04604	1.7
191.05655	1.9
209.11826	100.0
210.12233	1.2
218.14925	0.8
221.91896	0.7
227.12900	13.0
232.57109	0.8
247.13292	1.4
375.21875	1.1
434.63467	0.9
475.26886	1.6
492.67902	0.9
493.27979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92981	0.8
59.65132	0.9
61.98816	1.8
78.95905	20.3
80.96513	1.1
87.75745	1.0
97.93324	0.8
121.02955	9.2
122.03294	1.6
122.88335	0.9
151.04054	1.1
151.07645	1.1
151.53064	0.8
152.99547	2.7
153.58279	0.9
155.05487	0.8
155.65302	0.9
156.20125	0.9
168.04295	3.3
224.06856	7.8
227.98845	0.9
240.07947	2.3
242.08028	2.4
254.09372	1.4
255.10269	1.6
265.08069	1.0
276.22995	0.8
279.23282	100.0
280.23563	3.5
504.30957	67.7
505.31400	2.7
511.21460	1.5
554.22443	1.7
555.23724	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.7
61.98823	2.4
69.11719	7.2
71.25299	1.1
78.95901	6.4
79.91822	1.0
135.41489	1.0
168.04260	1.5
202.86131	1.2
235.41052	1.3
242.07942	1.8
279.23291	100.0
280.23602	1.9
491.29025	1.2
504.30966	40.3
505.31110	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.0
59.20557	0.4
70.31757	0.5
70.32106	0.4
71.01376	0.4
78.95904	19.4
80.96505	1.8
90.13383	0.5
94.98093	0.5
96.96011	2.8
96.97004	0.4
112.32832	0.4
122.98475	0.4
152.99603	3.8
168.04323	2.9
179.89157	1.0
181.90724	0.9
196.89334	0.6
205.90721	0.6
224.06924	8.8
237.22237	0.4
242.07985	2.0
247.66971	0.4
255.23291	100.0
256.23715	2.4
272.01193	0.5
480.30951	75.5
481.31082	2.9
516.15875	1.5
518.15857	0.6
554.22504	1.3
555.29169	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	554.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14695	1.1
69.19110	5.1
78.46389	1.0
115.03989	3.0
125.24292	1.0
125.31921	1.1
158.99742	1.3
159.02962	3.5
168.98213	1.6
170.99744	4.6
173.01212	1.3
186.99219	4.5
198.99321	1.6
201.00793	0.9
211.02901	2.2
214.98743	4.4
227.02321	1.5
229.03868	2.2
232.96605	3.8
239.02397	2.3
241.04034	1.7
242.82057	1.1
244.96471	1.3
256.99756	1.4
260.96054	4.0
270.94397	4.8
282.98029	1.3
284.96411	1.5
284.99695	3.3
286.97559	1.8
288.95441	1.2
294.98129	1.3
296.99673	2.7
298.94028	7.9
300.99133	6.9
303.00699	1.6
308.95963	3.0
310.97659	14.1
312.95404	2.7
312.99179	8.9
315.00723	9.8
320.96060	2.6
322.97653	1.2
324.99243	3.5
326.97107	1.7
327.00714	1.4
328.98666	4.1
331.00192	4.1
336.95447	1.4
338.97110	53.8
340.98697	20.9
343.00308	11.1
350.97128	5.1
352.98563	2.5
353.02399	2.2
355.03793	2.9
358.99655	2.6
365.02182	10.2
369.01736	2.1
371.03226	3.6
375.00803	1.3
378.98517	2.0
381.01682	4.7
383.03384	40.5
385.04962	2.6
390.93442	1.3
393.01730	3.2
394.96136	46.9
395.02515	1.8
395.03369	2.5
395.96475	2.2
399.02856	3.6
401.04276	2.6
409.01431	3.4
411.02765	3.0
412.97119	15.4
421.01453	2.0
423.02121	1.2
429.03909	3.3
429.98019	1.5
439.02390	25.8
449.00708	2.1
457.03448	3.3
467.01089	2.4
474.97998	1.5
483.01660	1.4
492.99756	4.3
511.00824	34.0
512.00897	1.2
517.84314	1.3
554.99780	100.0
555.99805	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	555.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83013	0.5
55.01857	0.7
57.03443	0.7
59.01370	6.3
60.75088	0.4
61.98825	4.9
65.03958	0.7
67.05527	1.3
68.99825	0.9
69.03434	0.7
69.24043	2.6
69.68653	0.6
71.01387	4.3
73.02953	1.3
79.95763	0.4
80.41051	0.4
81.03457	1.4
83.01379	0.6
84.93870	1.4
85.02941	1.5
87.00877	0.8
88.98794	0.5
89.02457	1.6
93.03463	1.6
95.05025	9.1
95.05614	0.6
96.96009	14.0
98.22553	0.7
98.95581	3.0
98.96464	1.0
99.00859	0.9
99.92580	12.3
100.93361	12.6
101.02451	1.8
107.05006	0.4
109.02969	0.7
111.04507	1.1
113.02450	1.4
114.93407	1.2
114.94901	0.7
115.92077	10.8
116.92858	90.6
117.92888	1.8
119.03484	0.6
121.02997	0.7
122.06126	0.9
123.04543	0.9
125.02526	0.4
128.92911	0.7
135.04538	0.8
137.02382	0.7
139.04008	100.0
140.04353	1.3
140.92838	0.7
141.93633	0.9
142.94406	1.4
152.07149	1.8
153.07523	0.6
155.03517	0.8
156.92371	0.7
158.93927	1.1
159.08145	0.8
161.04521	0.7
177.09377	0.5
183.94647	1.0
184.91833	2.6
191.05646	1.9
203.07133	1.7
205.12407	0.4
221.08226	0.8
237.07707	0.6
239.79120	0.4
266.06696	0.5
272.47705	0.4
281.09241	1.4
282.09622	0.7
293.09186	0.6
318.46884	0.5
383.13486	0.7
422.78134	0.5
441.14044	1.6
446.17206	0.6
447.17538	1.6
451.10645	4.0
469.11554	3.1
481.11414	0.5
491.16931	0.5
493.11725	1.3
495.31662	0.6
511.12854	4.5
519.09467	1.2
522.18805	0.7
523.18958	1.8
555.11700	16.9
555.28040	2.0
556.12164	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	555.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.2
60.10914	0.9
61.98820	2.9
64.49166	0.9
65.65398	0.9
69.26410	4.6
71.01376	2.9
73.02927	1.2
78.62257	0.8
80.19986	0.9
85.02930	1.6
87.00893	1.2
93.03485	1.9
93.42899	1.0
95.05042	1.9
96.96018	1.0
101.02428	1.2
111.04537	1.5
113.02415	1.4
139.04002	11.8
155.03514	1.2
169.09955	0.9
173.04559	1.4
184.64531	1.0
190.02676	1.4
191.05652	3.2
197.06084	2.6
239.07072	1.0
240.04320	8.1
241.05029	3.8
255.06616	27.5
256.07370	4.6
264.15094	0.9
271.09750	100.0
272.09952	1.1
475.16116	14.2
555.27661	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	555.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	38.1
61.98828	100.0
71.01368	18.5
71.21954	12.3
82.95419	12.1
96.96001	16.5
108.22864	11.0
128.03572	17.9
130.08720	19.0
152.03313	9.9
167.03471	24.5
169.01866	12.9
191.05605	14.8
229.97270	11.6
242.32664	12.8
393.09326	11.4
440.01855	10.6
555.27344	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	555.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.8
61.60328	2.3
61.98827	6.2
69.13365	15.5
71.01390	3.6
73.51131	2.1
73.71130	2.0
74.34068	2.3
76.01833	2.3
83.48519	2.3
89.84049	2.1
113.02441	3.6
135.89693	2.1
161.09718	33.5
167.03546	2.8
185.07768	2.7
197.51392	2.3
205.08679	90.6
214.01930	2.3
223.23741	2.5
339.94275	2.5
404.06891	2.6
412.17166	2.3
416.42728	2.8
441.17609	100.0
532.50262	2.3
555.19177	2.4
555.36688	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	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27645	0.3
56.24572	0.3
57.92912	0.3
59.01111	0.4
59.01376	4.2
59.46632	0.3
61.98829	4.4
64.49529	0.3
65.26480	0.3
67.75899	0.3
69.03461	0.7
71.01366	0.9
71.42340	0.3
83.03130	0.3
89.02431	1.2
91.03997	2.2
95.01418	0.3
101.02517	0.3
106.04265	0.9
109.02970	1.1
109.73910	0.3
113.02446	2.5
119.65884	0.3
121.02979	1.9
123.00878	0.9
128.13658	0.3
128.38617	0.3
131.03473	0.5
137.02454	1.7
139.03999	0.8
149.02449	4.4
160.08922	3.6
161.09711	4.9
163.07631	2.4
175.07747	0.3
176.08479	0.5
189.09256	0.8
201.04076	0.4
204.07930	1.9
205.08681	2.7
224.06877	1.0
237.07707	0.5
256.05878	1.5
279.12366	100.0
280.12698	2.3
357.13345	0.8
388.26263	0.3
492.28629	0.3
519.30664	0.4
555.28387	0.5
577.61633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27645	0.3
56.24572	0.3
57.92912	0.3
59.01111	0.4
59.01376	4.2
59.46632	0.3
61.98829	4.4
64.49529	0.3
65.26480	0.3
67.75899	0.3
69.03461	0.7
71.01366	0.9
71.42340	0.3
83.03130	0.3
89.02431	1.2
91.03997	2.2
95.01418	0.3
101.02517	0.3
106.04265	0.9
109.02970	1.1
109.73910	0.3
113.02446	2.5
119.65884	0.3
121.02979	1.9
123.00878	0.9
128.13658	0.3
128.38617	0.3
131.03473	0.5
137.02454	1.7
139.03999	0.8
149.02449	4.4
160.08922	3.6
161.09711	4.9
163.07631	2.4
175.07747	0.3
176.08479	0.5
189.09256	0.8
201.04076	0.4
204.07930	1.9
205.08681	2.7
224.06877	1.0
237.07707	0.5
256.05878	1.5
279.12366	100.0
280.12698	2.3
357.13345	0.8
388.26263	0.3
492.28629	0.3
519.30664	0.4
555.28387	0.5
577.61633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05991	0.6
55.01855	1.1
59.01370	1.6
70.59625	0.9
71.01393	0.9
73.02943	1.6
79.99896	0.6
85.02940	1.3
96.96013	0.8
98.03741	0.7
99.00188	0.7
101.28886	0.6
108.67912	0.7
109.02936	1.0
112.01669	1.4
113.02456	5.4
115.03999	1.5
120.00396	1.5
120.01244	25.9
122.09765	1.5
123.04594	1.0
125.02357	0.9
127.03932	1.6
138.03224	1.8
139.00417	0.9
139.04013	6.8
150.03186	1.4
151.04045	0.8
165.05515	0.7
166.08757	1.4
191.05623	2.8
216.13936	0.7
242.15541	1.9
251.15932	0.7
260.16443	0.8
262.89499	0.7
269.43170	0.6
272.16537	0.8
302.17703	4.4
314.21335	1.1
318.17267	0.9
340.15787	2.0
340.19205	1.6
358.20117	5.6
372.21646	1.1
390.22876	1.8
393.21426	0.8
402.19257	2.3
416.20615	3.5
434.21786	100.0
435.22192	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	555.2384
Annotation	Ingenol 3,20-dibenzoate
Peak:m/z	Relative Intensity
54.26604	0.7
56.69234	0.7
59.01379	0.8
61.98827	1.6
85.00453	1.2
93.03479	1.2
121.02988	2.2
131.51559	0.6
135.04559	1.4
137.02467	0.9
137.05974	0.7
152.99591	0.9
164.04787	0.9
165.05464	0.9
188.04825	0.9
197.13000	0.7
213.09163	1.4
223.07587	0.9
225.09160	2.9
227.27032	0.8
234.47589	0.7
238.06230	0.9
240.07901	0.9
252.07980	1.0
253.08705	4.4
254.09483	1.4
255.06442	1.0
255.10208	1.6
256.07339	0.9
267.10294	1.2
268.10989	1.9
269.11649	0.9
279.10239	0.9
287.12921	1.3
294.08975	5.2
295.09555	0.9
308.10294	1.0
309.11319	2.0
314.21301	0.8
315.12567	0.8
323.12903	1.2
355.09937	0.9
356.10623	2.4
357.11255	4.7
358.12158	2.6
360.10034	6.6
361.10806	1.2
370.12494	1.6
371.12915	5.9
372.13632	12.0
373.14380	2.3
374.11539	1.0
375.12369	21.6
385.14490	1.6
387.12366	2.2
388.13263	4.1
389.14224	1.0
401.14020	2.1
469.16721	1.7
493.16400	1.5
507.17950	3.7
508.18832	5.1
509.19403	7.6
521.19592	1.0
522.20697	3.0
523.21301	8.7
524.21667	1.4
537.22729	1.9
540.21564	2.1
555.23981	100.0
556.24347	5.7
579.42987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2385
Annotation	Ingenol 3,20-dibenzoate
Peak:m/z	Relative Intensity
50.54943	0.5
66.86420	0.7
69.07670	1.8
69.08088	1.9
69.60204	0.4
77.63178	0.5
80.51436	0.5
83.13735	0.5
87.64161	0.5
97.75447	0.5
98.22601	1.4
108.79044	0.6
109.08559	0.5
121.02975	2.7
135.04529	3.2
136.05304	10.7
137.06091	14.6
149.06079	4.0
150.06833	0.6
151.04001	1.1
162.31992	0.5
163.03984	1.3
164.04822	7.6
165.05576	25.0
195.08104	1.0
196.08968	5.3
211.07623	10.1
220.54549	0.5
223.07544	1.1
224.08430	20.8
225.09000	2.0
238.06122	0.5
238.09972	1.0
239.07127	11.3
239.10774	19.6
240.07924	20.1
241.08638	2.6
253.08664	1.0
254.09491	7.8
255.06613	1.4
255.10255	6.2
269.08423	0.6
269.11789	4.5
270.08850	1.9
271.06415	0.9
271.09720	1.4
285.11246	5.1
286.08801	0.9
286.12054	2.8
287.12823	4.7
300.10016	1.3
301.10843	2.3
302.11618	1.3
315.12375	14.7
316.13086	10.3
376.16095	0.7
403.15454	2.0
404.15851	0.9
466.87558	0.6
529.60016	0.6
540.21570	2.3
555.23846	100.0
556.24139	7.0
559.13086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2387
Annotation	Ingenol 3,20-dibenzoate
Peak:m/z	Relative Intensity
50.13424	0.4
59.85534	0.4
60.16870	0.4
60.62188	0.4
70.72514	0.7
85.43109	0.4
89.93105	0.4
93.03465	1.3
104.51910	0.4
108.24333	0.4
112.80535	0.4
121.02962	8.5
123.04539	0.7
135.04541	0.8
136.05305	2.0
137.02440	1.7
137.06075	4.3
149.06104	2.7
150.06876	0.5
151.03987	1.7
163.03986	1.0
164.04799	1.8
165.05568	7.6
173.05974	0.4
179.85158	0.5
209.06096	0.9
210.10489	1.3
211.07634	4.3
215.07169	0.4
223.07715	0.4
225.09212	6.0
227.07079	0.8
237.05577	1.5
238.06395	3.6
238.09984	2.6
239.07156	7.0
240.04184	0.7
240.07895	0.9
241.08557	0.6
245.08232	1.1
251.07074	0.7
252.07924	1.5
253.08704	10.1
253.12346	2.2
254.09480	27.9
255.06610	4.9
255.09914	1.2
258.08823	0.5
267.10284	0.7
268.11047	7.5
269.08279	1.8
269.11804	10.9
270.09067	2.0
270.11746	0.5
271.06177	1.2
271.09692	2.2
272.06857	1.3
272.10529	3.1
280.07428	0.6
285.10995	0.5
286.08505	3.3
287.09106	1.4
287.12866	1.2
301.10797	2.0
301.14386	1.5
302.11642	2.9
359.09323	0.8
361.14508	0.8
371.12939	0.6
373.10571	0.6
374.11453	1.5
375.12057	0.6
388.12790	0.5
389.13962	1.6
403.15521	1.4
404.16125	1.1
417.16980	1.3
470.30429	0.4
499.21173	0.5
537.23279	0.5
539.20972	1.0
540.21606	8.6
555.23871	100.0
556.24310	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	555.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56238	0.2
69.56574	1.0
80.14960	0.2
98.22578	0.5
105.64400	0.2
106.94892	0.3
108.02199	0.3
109.02944	0.3
121.02956	2.3
122.03735	6.3
123.04521	13.3
134.03842	0.2
135.04515	2.9
136.05305	0.5
137.02429	1.0
137.06061	0.5
138.03291	0.3
139.03999	0.3
139.88243	0.3
149.02435	0.8
149.06079	0.3
150.03207	6.3
150.04350	0.5
151.03996	22.8
152.04309	0.4
183.08130	0.3
194.07362	0.8
196.08987	0.5
197.06079	0.3
199.07578	0.4
209.05994	0.5
209.09735	0.8
210.06758	0.5
210.10507	1.4
211.07631	1.8
212.08440	0.4
213.09171	0.3
223.07584	0.3
224.08401	1.2
225.09184	14.3
227.07135	1.6
228.07851	0.5
237.09164	2.8
238.09962	18.3
239.07094	1.1
239.10588	1.2
240.07849	0.7
241.04936	1.2
241.08694	0.4
243.06535	0.6
252.07912	1.1
253.05026	0.7
253.08669	12.9
253.12302	12.9
254.05844	0.7
254.09447	13.1
255.06602	1.4
255.09927	0.8
256.07413	2.1
257.08136	0.9
257.11810	0.3
258.08945	0.3
267.10080	0.4
268.10989	4.0
269.08655	0.4
269.11746	2.4
270.08936	0.6
271.06137	1.3
271.09714	6.8
272.06857	1.3
272.10397	0.7
273.11270	4.1
283.13483	1.4
285.11295	0.6
286.08328	1.7
287.09192	1.6
287.12277	0.3
288.10022	0.7
301.10776	16.4
302.11530	10.5
360.13528	0.5
361.14331	0.7
389.13937	1.0
403.15823	1.2
403.20380	0.3
404.16113	0.4
515.65887	0.3
523.21039	0.4
525.19995	0.4
539.20215	0.4
540.21521	3.0
555.23792	100.0
556.24146	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25651	0.2
55.01858	0.6
57.03437	0.6
59.01382	2.4
61.98830	2.0
67.05517	1.3
68.99822	1.0
69.03460	0.4
69.52326	0.8
71.01384	1.8
73.02954	0.4
80.02689	0.3
81.03477	0.8
82.95408	0.2
85.02950	0.6
89.02439	0.7
93.03436	0.5
95.05025	8.8
96.27555	0.2
96.95987	0.3
97.02960	0.2
99.92597	0.2
100.93369	0.4
101.02425	1.0
102.98630	0.2
108.39975	0.2
109.02900	0.3
113.02448	0.7
113.06161	0.3
115.92069	0.4
116.92858	3.0
119.03512	0.3
123.65955	0.2
124.01621	0.4
135.04532	0.2
139.04008	100.0
140.04350	1.6
145.63327	0.2
149.02400	0.2
150.03239	0.6
152.01204	0.2
161.04651	0.2
165.05534	0.5
167.03493	0.2
180.04677	0.2
191.05644	0.3
196.97549	0.2
221.37154	0.2
250.62468	0.2
272.94601	0.2
329.13647	0.2
344.05075	0.2
441.17657	0.5
469.11707	0.2
477.19214	0.8
511.25806	0.3
555.11395	0.5
555.24060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
56.12684	0.2
57.03434	0.7
59.01376	3.2
61.98827	2.2
67.05521	1.2
68.99824	1.0
69.03431	0.5
69.75285	0.6
71.01382	1.8
73.02925	0.6
80.02660	0.3
81.03465	1.4
83.01416	0.3
85.02933	0.7
87.00859	0.2
89.02441	0.6
93.03452	0.7
95.05025	9.5
96.96021	0.7
101.02441	1.2
109.02924	0.2
111.04538	0.3
113.02454	0.8
113.06129	0.2
116.41601	0.2
116.92952	0.2
123.04518	0.2
124.01652	0.4
134.14137	0.2
135.04417	0.2
139.04008	100.0
140.04335	1.7
161.04495	0.3
167.03461	0.5
191.05652	0.3
201.04051	0.3
274.55228	0.2
386.09225	0.2
511.25092	0.2
519.31805	0.4
555.29553	1.8
566.23157	0.2
579.90771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03446	0.4
59.01380	5.1
61.98827	4.0
67.05533	0.9
68.99822	1.6
69.03441	0.5
69.12344	1.7
71.01378	3.1
73.02950	1.5
81.03455	1.2
82.09924	0.3
83.01379	0.5
83.05045	0.3
84.93860	0.7
85.02953	1.2
87.00870	0.6
89.02437	1.4
93.03473	1.2
95.05026	8.1
95.07800	0.3
96.96009	12.8
97.02901	0.3
98.22618	0.6
98.95592	2.4
98.96430	0.4
99.00909	0.4
99.92587	7.7
100.93364	7.3
101.02453	1.9
101.03020	0.3
101.93417	0.4
103.00354	0.5
109.02960	0.7
109.91688	0.3
111.04509	1.5
113.02448	1.6
114.93433	0.8
115.92075	7.9
116.92860	61.0
117.92849	1.9
119.03522	0.6
120.52660	0.3
122.06116	0.6
123.04580	0.6
124.01634	0.4
134.06198	0.3
135.04532	0.7
137.02481	1.1
139.04012	100.0
140.04364	1.9
140.92877	0.5
141.04532	0.5
141.93600	0.7
142.94379	0.7
143.03453	0.4
152.07162	1.0
155.03525	0.8
156.92372	0.4
158.93904	0.5
160.17871	0.3
161.04564	0.7
167.03488	0.3
167.95160	0.3
170.93912	0.3
172.95564	0.3
173.04539	0.7
179.03516	0.3
179.05582	0.6
183.94676	0.4
184.91811	2.0
184.95461	0.5
191.05655	0.8
193.08745	0.4
196.95430	0.3
203.07089	1.0
221.08395	0.4
237.07687	0.5
258.45978	0.4
259.96423	0.6
281.09210	0.7
282.09509	0.7
284.08734	0.3
294.09601	0.6
383.13361	0.6
433.09592	0.5
441.13922	1.5
447.17581	0.9
451.10660	2.9
452.11252	0.4
469.11539	2.8
479.19675	0.4
481.11975	0.5
491.16504	0.5
493.11661	1.4
511.12668	4.7
519.09381	0.7
523.19055	1.1
537.11176	0.6
555.11700	14.4
555.28076	1.6
556.11981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66918	0.8
59.01378	12.6
61.98832	1.6
66.67629	0.9
71.01379	4.4
71.41393	1.0
73.02943	1.4
73.44920	1.0
83.05031	3.8
85.02962	1.5
87.00883	1.1
88.98836	2.3
89.02427	4.3
93.03466	2.9
101.02449	4.0
107.05100	0.8
112.26431	0.8
113.02464	4.1
116.92848	1.5
118.67005	0.8
119.03516	2.0
135.04562	1.1
135.08194	1.3
137.02496	1.6
161.04558	1.7
163.11302	2.4
165.12891	2.5
165.98428	0.9
176.20795	0.9
189.09290	0.9
191.05634	2.2
202.00003	0.9
209.11826	100.0
210.12199	2.7
215.07112	1.0
227.12895	15.8
253.09258	13.6
259.06024	1.0
260.06424	1.6
279.08203	1.2
317.87897	1.0
378.16809	0.9
405.21237	1.2
441.13239	1.1
445.20782	2.2
451.27597	1.1
463.22238	1.3
555.20685	2.0
555.28046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26060	1.4
59.01374	29.0
61.98826	6.8
65.30048	1.4
69.03439	2.0
71.01382	19.2
71.43192	1.4
73.02939	6.9
75.00870	1.5
82.52785	1.4
83.01383	3.6
83.05019	3.9
85.02924	7.7
87.00884	2.2
88.98799	4.0
89.02419	7.5
93.03453	2.7
93.43977	1.4
95.01378	1.8
96.95997	3.4
99.00882	1.8
99.92635	2.6
101.02439	14.6
107.05003	2.7
108.77810	1.5
109.02908	2.5
113.02451	13.3
115.92071	1.6
116.92879	3.3
119.03507	2.3
120.99642	2.4
123.04528	3.9
125.02392	1.6
134.03767	2.4
135.04491	5.4
137.02434	3.4
139.04019	6.2
143.03496	2.7
151.03981	2.3
161.04521	7.5
163.11311	2.9
165.12782	1.5
167.03549	2.1
171.48041	1.2
173.04558	1.5
179.03516	3.8
179.05566	2.6
189.09204	2.1
191.05640	3.9
193.05086	2.2
209.11816	100.0
213.07619	1.9
227.12891	18.0
249.11220	2.3
253.09297	15.4
279.14444	4.7
397.14343	2.1
405.21249	2.1
441.19736	20.0
445.20566	2.1
495.31528	2.0
554.80865	1.7
555.20947	11.5
555.28271	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01357	0.7
63.96218	1.1
68.30599	0.3
71.01379	5.9
73.02943	1.7
77.31881	0.3
78.98597	4.4
79.95731	6.8
80.96515	54.5
81.03448	0.6
85.02945	2.4
87.00889	2.3
94.98083	11.6
96.96008	1.1
97.02967	1.7
101.02455	2.4
106.98080	2.2
113.02419	0.4
122.97584	2.8
125.02434	2.5
125.46684	0.3
127.03993	0.5
132.38640	0.3
134.97592	3.3
136.99123	1.1
148.99141	5.2
152.98630	4.9
156.49867	0.3
160.59071	0.3
164.98628	10.3
188.98558	0.5
206.99693	2.1
225.00739	15.5
234.08765	0.3
255.23312	1.8
299.04425	3.4
317.05356	0.3
460.27728	0.4
555.28406	100.0
556.28687	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	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.66002	0.3
59.01373	0.9
59.19069	0.4
61.98828	1.3
63.96247	0.7
66.39167	0.4
69.06836	2.7
71.01385	4.5
73.02940	1.6
78.98582	5.7
79.95735	8.4
80.96515	57.0
81.03458	0.6
85.00433	1.3
85.02951	2.0
87.00851	2.1
94.98083	14.5
95.67576	0.4
96.96001	0.8
97.02946	1.5
99.00890	0.5
100.24173	0.4
101.02444	2.9
106.98066	2.4
113.74481	0.5
122.97603	4.8
125.02441	2.6
127.03983	0.9
134.97580	4.4
136.99146	0.7
148.99133	5.1
152.98624	6.3
164.98628	9.7
182.99666	2.2
201.94615	0.4
206.99721	2.8
225.00745	16.6
243.01758	2.3
255.23308	2.5
271.09854	0.7
299.04343	2.0
380.04391	0.4
472.16846	0.4
514.07910	0.6
555.28424	100.0
556.28699	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83280	0.4
59.01375	0.7
63.96249	0.8
69.03458	0.4
69.29288	1.8
70.66009	0.3
71.01379	5.5
73.02945	1.5
73.20502	0.3
78.98576	4.2
79.95731	6.6
80.96513	55.7
81.03452	0.6
85.02943	2.3
85.49072	0.4
87.00875	1.7
91.04037	0.3
93.09100	0.4
94.98083	12.6
96.96002	0.9
97.02951	1.7
98.22573	0.7
101.02424	2.3
106.98077	2.4
115.04071	0.4
122.97587	3.3
125.02446	3.3
127.03971	0.7
130.23352	0.3
134.97581	3.6
136.99121	1.1
146.97633	0.4
148.99135	4.5
152.98642	5.3
157.08687	0.4
164.98622	9.7
182.99706	0.9
206.99702	2.5
225.00729	14.7
243.01793	1.1
255.23375	2.4
299.04465	2.9
555.28387	100.0
556.28735	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	555.294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23708	0.6
54.30063	0.6
55.00893	0.6
59.01377	13.6
61.98835	0.8
67.05523	1.3
68.99857	0.5
69.34341	1.1
69.34749	2.2
71.01384	2.5
73.02944	0.9
81.03443	1.0
85.02938	1.4
89.02451	1.0
93.03457	2.8
95.05025	10.1
96.10005	0.7
96.96018	0.8
99.00885	0.6
101.02471	1.7
113.02460	1.2
113.06055	0.9
137.02425	4.0
139.04012	100.0
140.04309	1.4
161.13301	1.1
187.11263	3.5
191.05675	0.7
201.04065	2.1
205.12349	1.3
263.11212	0.7
451.23022	1.6
519.31775	8.1
555.18616	1.2
555.29565	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	555.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35339	0.4
55.01868	1.1
57.03440	0.7
57.47906	0.4
59.01378	6.4
61.98835	3.1
67.05518	1.1
68.99803	1.1
69.03461	1.0
69.11884	2.5
71.01379	2.1
73.02934	1.2
76.87316	0.4
81.03459	1.2
83.01399	0.6
85.02977	1.3
88.03825	0.4
88.98782	0.5
89.02437	1.6
93.03453	1.0
95.05020	8.1
96.96007	1.5
98.22617	0.9
99.90446	0.4
101.02460	1.5
109.02972	0.8
113.02448	1.8
113.06075	1.0
115.04017	0.7
121.02946	0.4
124.01628	0.4
125.05987	0.4
129.05536	0.5
131.03545	0.4
135.04524	0.6
137.02435	0.7
139.04008	100.0
140.04350	1.9
141.04485	0.8
149.02415	0.4
152.99713	0.4
155.07135	0.8
157.05098	0.6
161.04475	0.6
179.18448	0.4
191.05573	1.1
201.04036	2.1
279.12360	2.8
341.55881	0.4
385.17316	0.4
429.17252	0.6
440.89975	0.5
468.72610	0.5
519.31848	3.8
555.29498	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	555.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40128	0.4
59.01375	100.0
60.03535	0.3
69.16899	2.2
75.00883	1.2
97.02958	0.3
103.00370	4.5
103.01489	89.1
113.02336	0.4
114.05598	0.3
129.75020	0.3
133.90150	0.3
141.77640	0.3
145.62627	0.3
191.05634	0.4
271.45377	0.4
305.30090	0.4
451.32581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86514	1.4
59.01354	1.4
64.04933	1.5
70.52322	2.7
71.05014	4.7
82.52664	1.4
88.01792	1.4
97.02969	2.5
97.06580	2.0
99.00887	12.9
125.09731	10.2
163.11313	7.2
181.12318	14.1
186.57816	1.5
199.13358	30.0
207.10245	21.1
225.11311	56.1
243.12363	11.3
255.23283	75.8
256.23737	2.2
299.14978	4.6
311.52420	1.5
317.15979	10.9
555.39008	100.0
556.39301	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	556.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93794	0.4
52.61645	0.4
56.27005	0.4
59.01351	0.7
60.99300	15.2
61.43005	0.4
61.98809	1.3
63.98378	0.4
69.11334	2.4
79.23354	0.4
84.36594	0.4
86.49388	0.4
88.98796	100.0
99.34789	0.4
113.02491	0.8
124.37418	0.4
146.06105	8.2
148.90930	0.8
158.37973	0.4
167.03511	0.9
190.05095	1.8
208.79933	0.5
235.95830	0.5
240.39297	0.4
260.89294	0.5
267.25531	0.4
290.23233	0.4
352.10315	5.0
358.13831	0.6
441.99759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.2
61.21783	1.2
61.98822	4.8
65.90137	1.1
69.67497	4.0
71.01385	4.9
71.05820	1.1
82.95406	2.3
88.32103	1.2
89.02449	4.3
92.05074	2.2
101.02454	1.4
108.04564	5.1
110.02475	1.8
112.04053	2.8
113.02476	2.7
116.05074	9.5
116.92876	3.2
120.04550	98.5
122.06116	3.2
123.03263	3.7
124.04028	5.1
132.04530	5.8
138.05606	24.5
140.07162	1.5
150.05602	32.7
158.02434	2.8
160.04047	40.7
164.07210	5.5
168.06657	61.6
172.03993	1.5
174.54791	1.4
177.94806	1.3
179.85226	1.2
184.06168	2.8
190.05095	20.4
192.06657	100.0
204.06665	1.9
212.10660	1.2
255.11360	4.8
256.09747	1.5
265.09726	1.6
265.24393	1.2
267.11063	1.2
279.89188	1.2
281.09390	3.6
293.09344	5.4
297.12378	1.6
299.10403	1.8
311.10309	2.5
312.55682	1.2
313.11951	2.5
321.08759	2.7
323.10406	8.4
325.11938	6.6
341.11417	45.6
342.11639	2.8
343.13058	1.9
345.14502	1.8
353.11511	8.4
355.12970	15.3
371.12466	5.5
373.14008	67.3
374.14368	1.8
405.21252	1.8
406.21765	3.7
434.13467	1.8
462.16660	8.3
463.15219	1.6
466.16623	1.6
480.17740	11.7
488.15070	2.5
493.17984	2.4
494.15207	2.2
494.19986	1.4
506.15634	38.9
507.15762	1.3
512.20331	2.7
520.17377	2.3
524.16620	14.3
526.18219	3.6
538.18372	21.8
556.19275	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.5
61.98824	7.2
69.49371	3.5
71.01382	4.2
73.02961	1.7
78.50899	0.9
82.95435	2.0
85.02953	1.8
87.00878	2.2
88.98817	1.5
89.02453	2.1
92.05027	1.4
93.03426	1.1
96.96024	4.0
98.22710	1.7
101.02454	3.5
106.63718	1.0
108.04559	5.3
110.06131	1.4
112.04086	1.7
113.02434	2.7
116.05068	9.2
116.92862	2.0
120.04549	100.0
121.04927	1.1
122.06136	2.8
123.03284	4.6
124.04049	3.9
124.73302	1.1
130.02921	1.1
132.04550	8.3
134.06082	1.2
137.02490	1.4
138.05611	23.0
139.03960	1.0
140.07152	1.7
150.05609	26.3
151.39291	0.9
155.93904	1.2
158.02492	3.4
160.04045	44.9
161.04477	1.1
162.05611	1.5
164.07130	7.7
167.62598	1.2
168.06659	49.3
179.05663	1.3
184.06136	2.4
190.05107	16.8
191.05635	2.7
192.06654	85.7
193.07120	1.2
255.11417	2.6
265.09885	1.2
267.11349	1.8
281.09320	4.4
293.09238	4.8
297.12576	1.4
311.10379	1.8
313.11819	2.1
323.10300	5.1
325.11932	5.0
341.11395	59.4
342.11890	1.9
343.13211	1.5
345.14468	1.8
353.11478	9.7
355.13007	8.4
371.12546	4.9
373.14023	54.8
374.14474	2.1
376.10263	1.0
380.15573	1.0
418.17087	1.3
434.13287	1.8
443.19226	2.7
462.16443	5.8
463.15384	2.6
480.17688	14.5
488.14691	2.2
494.15063	1.7
506.15765	19.3
507.16064	1.5
520.16882	2.2
524.16760	6.3
526.18317	1.7
538.18292	11.8
556.19177	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	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10998	0.7
52.87424	0.9
55.10748	0.9
59.01377	100.0
61.98836	6.4
71.01379	28.4
71.04317	1.3
73.02951	1.1
73.16711	0.8
83.01410	1.0
85.02946	6.5
87.00867	0.8
87.37817	0.8
89.02440	33.7
90.65926	0.7
95.01403	2.0
101.02441	18.4
113.02467	11.7
113.69617	0.9
119.03501	15.2
131.03506	2.2
131.81181	0.9
136.48776	0.8
137.06091	0.9
143.03481	2.8
149.04536	1.6
161.04539	5.1
179.05579	7.4
191.05597	1.5
192.86977	1.0
206.92928	0.9
234.88347	0.9
236.03940	0.8
254.15427	1.2
298.14447	1.1
316.15500	10.4
318.31058	0.8
334.16406	2.6
496.21893	62.7
497.22345	2.6
556.23694	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	556.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02137	0.9
53.24245	0.8
59.01380	100.0
69.03463	1.5
71.01377	7.2
71.41708	0.9
73.02950	2.8
84.02174	3.4
85.02951	5.3
87.00906	1.2
89.02435	5.3
95.01389	1.5
97.02967	1.1
99.00877	1.5
101.02454	11.1
113.02457	11.6
119.03517	5.6
135.04549	1.7
155.03554	1.2
158.67290	0.8
161.04602	1.1
173.04521	0.9
191.05626	7.2
218.76846	1.2
230.68211	0.9
260.20233	1.3
272.16550	1.9
286.18201	1.5
304.19250	2.2
306.16916	1.3
314.17657	2.0
316.15527	1.0
331.14130	2.5
332.18692	14.1
334.16599	47.7
335.16699	1.8
336.25363	0.9
344.18622	4.1
348.18195	6.8
358.16547	1.6
374.16000	1.8
376.17615	30.9
418.18842	1.4
451.39706	1.1
496.21884	5.6
556.23303	1.8
556.30890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	8.6
64.49306	0.7
66.99100	0.6
69.46349	1.6
71.01382	16.7
73.02946	1.9
75.36874	0.6
83.01408	1.0
85.02952	4.5
87.00879	0.9
89.02441	18.0
101.02440	9.5
113.02451	7.0
115.71875	0.6
119.03495	8.2
127.67123	0.6
131.03522	0.8
135.20062	0.6
143.03506	1.7
161.04533	4.6
179.05597	4.8
254.15518	0.8
272.16455	0.8
298.14575	1.9
316.15576	9.3
334.16702	0.7
496.21884	49.7
497.22357	2.1
556.24481	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	556.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29892	1.5
59.01379	100.0
69.55798	3.3
69.56190	2.5
71.01390	11.4
80.42735	1.3
85.02943	2.9
89.02456	12.7
96.95982	1.5
101.02451	8.9
113.02443	5.9
114.05294	1.6
119.03513	6.8
124.51424	1.5
143.03470	2.1
152.73001	1.5
179.05630	5.4
191.05635	5.1
221.12712	1.4
285.92728	1.7
298.14609	1.5
306.88220	1.6
316.15472	9.9
392.55615	1.7
496.21909	41.6
541.02789	1.5
556.23328	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	556.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.98830	2.1
63.50290	1.0
69.12175	6.1
78.95924	1.0
84.00894	1.5
95.29935	1.0
113.02509	1.0
128.03554	1.4
170.94667	1.1
171.43121	0.9
184.34923	1.0
191.05608	1.8
204.05107	1.3
219.82574	1.1
233.16667	0.9
258.09937	1.1
272.12234	0.9
351.21759	100.0
352.22000	2.4
424.07080	1.1
513.26917	4.7
556.27563	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	556.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
69.90132	2.6
74.01186	1.3
78.95914	3.9
89.02424	1.9
101.02421	2.2
132.02940	1.3
139.78409	1.1
152.99606	1.7
165.05513	2.3
225.08940	2.2
235.08458	1.8
235.23439	1.4
239.07092	1.4
240.07813	1.9
253.09306	16.4
255.09956	1.5
277.21735	100.0
278.22110	2.3
279.23129	2.8
282.91898	1.2
288.49194	1.2
556.24316	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	556.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17382	0.6
59.01368	3.5
69.13123	3.2
71.01392	3.1
73.02927	1.3
75.36958	0.6
83.01407	0.5
89.02449	2.1
101.02428	2.4
113.02442	1.6
119.03464	1.2
157.75494	0.6
161.04485	1.0
162.67885	0.6
184.55554	0.7
195.41628	0.6
235.08292	2.0
252.90794	0.6
253.09277	15.2
277.21707	100.0
278.22073	2.5
279.23203	5.1
359.54498	0.6
504.31317	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	556.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30095	0.4
52.78407	0.4
71.31570	0.5
78.95900	18.4
80.96501	2.3
94.98077	0.5
115.03528	0.5
140.95520	0.4
152.99579	3.3
168.04301	3.7
224.06920	8.2
232.52527	0.6
242.08002	1.7
260.47644	0.5
281.24841	100.0
282.25119	2.7
301.21561	0.5
411.21899	0.7
453.22906	0.5
506.32492	73.9
507.32620	2.2
543.24438	0.5
556.28192	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	556.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57215	0.3
56.03922	0.3
61.98824	1.3
69.30380	1.4
69.46945	0.3
78.77495	0.3
78.95902	5.8
83.59806	0.3
87.28271	0.3
91.77675	0.3
127.89896	0.3
152.99597	0.7
168.04309	1.5
174.06636	0.3
184.62524	0.3
184.64307	0.3
224.06911	1.0
242.07985	2.3
255.23230	0.5
256.23633	0.4
265.89340	0.3
281.24844	100.0
282.25180	2.9
482.31821	0.6
506.32507	38.8
507.32819	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	557.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54165	1.2
55.01867	12.5
55.73962	1.3
57.20315	1.3
62.42559	1.4
69.78467	3.8
83.04990	1.1
93.03441	6.2
111.04491	2.1
129.39752	1.5
131.05023	9.4
131.95216	1.4
133.02951	3.7
133.06589	100.0
134.77151	1.1
135.04520	47.7
137.02414	3.1
159.04536	10.3
161.02457	10.2
173.04486	2.0
174.70480	1.4
177.05540	6.2
179.03502	43.3
191.05664	1.9
201.93015	1.1
203.03413	6.2
221.04538	78.9
256.12646	1.1
275.93930	1.2
335.07684	49.5
336.08200	1.7
351.82996	1.1
367.61060	1.2
497.37750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19280	0.3
55.01894	0.3
59.01382	3.6
61.98827	4.9
71.01380	1.5
73.02948	0.9
80.96555	0.3
82.95412	1.3
83.01398	0.4
84.93877	1.5
85.02959	0.8
87.00890	0.4
88.98799	1.0
89.02438	0.7
93.03458	0.8
95.01396	0.3
96.96008	5.8
98.21864	1.3
98.95593	3.9
98.96441	0.6
99.00913	0.7
99.92585	11.7
100.92660	0.7
100.93355	13.2
101.02431	0.9
103.00356	0.5
109.02975	0.6
111.04517	1.0
113.02453	1.1
115.04022	0.5
115.92078	12.6
116.92857	100.0
117.92853	0.9
117.93667	0.6
123.08181	1.0
124.98162	0.3
125.02441	0.6
135.04536	1.4
136.42618	0.3
137.02492	1.1
139.04030	1.5
140.92818	0.6
141.49516	0.3
141.93637	0.9
142.94420	1.4
143.03450	0.5
152.91513	0.3
156.92328	0.8
167.07111	0.5
173.04448	0.7
173.92586	0.5
174.06276	0.3
175.01129	0.3
179.03418	0.6
179.05655	0.4
184.91792	2.1
184.95425	0.4
191.05676	1.6
193.05089	0.4
196.95450	0.4
261.52808	0.3
411.16507	0.9
435.11124	1.2
453.12250	2.4
471.13370	3.2
477.12466	0.8
483.13037	0.6
485.24161	0.5
495.13309	1.5
513.14252	5.7
518.66541	0.4
521.11267	0.8
557.13232	21.7
557.28333	1.3
558.13141	0.9
558.20410	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	557.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45617	0.2
55.01872	0.5
57.03449	0.3
57.93633	0.2
59.01378	2.9
61.98822	0.5
67.05528	1.0
68.99799	1.1
69.03438	0.6
69.06344	0.5
69.06751	1.3
70.89614	0.2
71.01374	0.9
81.03461	1.4
85.02921	0.3
89.02477	0.3
93.03455	1.4
95.05022	7.9
96.96010	1.3
101.02414	0.6
104.97243	0.2
113.02448	0.4
113.06124	0.3
119.04964	0.2
124.01648	0.5
137.02441	0.9
139.04007	100.0
140.04326	0.4
149.38744	0.2
163.04068	0.6
165.05423	0.4
167.06296	1.4
169.12325	0.4
209.11818	0.5
211.05307	0.6
221.00900	0.4
222.70718	0.2
267.57687	0.3
308.05423	0.3
525.26849	0.3
557.29071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93610	0.4
54.18534	0.4
55.01879	0.7
59.01376	3.3
61.98821	1.8
67.05506	1.0
68.99815	0.9
69.03452	0.6
69.59557	1.5
71.01389	1.0
71.76548	0.4
73.02922	0.5
81.03455	1.0
83.57185	0.4
85.02959	0.5
93.03456	0.9
95.05020	7.7
101.02467	0.5
113.02504	0.5
121.03015	0.4
124.01714	0.5
139.04012	100.0
140.04289	0.8
167.06293	2.1
197.11874	0.5
209.11813	0.8
211.05432	0.7
221.72543	0.4
223.09871	0.4
257.83078	0.4
374.96506	0.5
525.27039	0.9
557.28668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
60.99283	0.5
61.98820	1.1
68.85967	0.4
69.19427	2.6
71.01363	1.7
73.02943	0.5
76.99944	0.5
85.02936	0.9
88.98790	1.8
89.02427	0.9
93.03446	2.5
95.05022	1.5
101.02445	1.3
108.02138	0.9
113.02448	1.5
116.92800	0.9
121.02959	32.8
122.03779	4.4
136.05295	2.0
139.03999	14.2
140.04335	1.7
143.03448	0.5
151.03992	1.0
151.07608	2.5
161.04483	0.6
173.04512	1.1
184.90543	0.5
191.05560	0.6
205.05055	1.0
205.12283	1.0
237.07523	1.0
258.08899	1.8
271.09518	0.5
272.10477	2.1
273.11307	100.0
274.11615	2.6
293.31183	0.6
304.34912	0.4
337.37408	0.5
407.21100	0.5
417.15396	1.3
506.36478	0.5
521.33508	2.3
526.11548	0.5
552.26770	0.5
557.30957	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	557.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68386	0.9
59.01380	25.1
61.98821	2.2
69.03439	2.4
70.25161	1.5
71.01381	20.1
72.80302	0.7
73.02953	3.8
74.11452	0.7
75.00865	0.9
81.03447	1.4
83.01359	1.4
85.02953	2.8
89.02447	22.7
93.03443	1.0
97.02957	3.7
98.22587	0.8
99.00877	6.3
99.04510	1.0
101.02435	4.0
111.00889	0.9
113.02444	2.6
115.04027	3.0
125.01619	1.2
125.02453	13.3
126.08067	0.7
131.03477	2.9
135.04495	0.7
136.05296	7.3
143.03516	1.3
149.04585	3.6
172.07997	0.6
173.04514	1.2
175.05994	0.7
185.09746	0.9
191.05591	2.6
218.86627	0.8
224.94885	0.6
227.10764	37.6
233.06653	8.8
293.08807	17.8
521.20264	100.0
522.20441	3.3
572.63599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98829	100.0
69.42489	0.7
82.99311	0.2
98.22610	0.3
113.36868	0.2
127.29187	0.2
137.12169	0.2
173.04410	0.2
212.27608	0.2
261.15112	0.2
345.12021	0.2
424.64957	0.2
446.47751	0.2
495.85010	0.2
497.20877	0.3
504.54376	0.2
557.13409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64312	0.3
55.01873	0.5
56.85155	0.3
57.03440	0.6
58.00599	0.4
58.29425	0.3
59.01378	100.0
60.01715	0.7
61.46813	0.3
67.68064	0.3
69.03451	2.0
69.33774	0.6
69.34164	0.7
71.01381	32.7
72.99309	1.0
73.02944	48.7
74.03303	0.3
75.00871	1.1
79.29422	0.4
81.03474	0.4
83.01384	10.4
85.02946	7.2
87.00866	1.2
89.02443	21.6
95.01384	3.3
97.02931	1.0
98.21826	0.5
101.02443	39.6
103.00392	0.3
103.01494	3.7
104.01831	0.6
105.01935	3.4
113.02448	27.6
119.03503	10.9
125.02446	1.5
131.03502	5.7
143.03491	5.6
145.10973	0.3
147.02946	0.5
149.04550	11.8
155.03476	0.8
161.04555	21.3
179.05609	12.7
191.05580	0.5
203.05656	1.9
221.06653	11.8
256.89777	0.3
319.70328	0.4
334.82291	0.4
443.19342	1.6
544.11053	0.4
557.23120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01725	0.6
61.65538	0.6
61.98829	1.1
63.08831	0.7
71.01377	3.9
73.02953	1.5
84.35619	0.6
84.36282	0.6
85.02995	1.5
87.00893	0.8
95.05035	0.7
95.79720	0.6
99.00881	0.6
99.47641	0.8
101.02460	2.7
107.05051	0.8
113.02465	1.6
116.92854	1.4
124.31384	0.6
131.64771	0.6
139.04016	3.5
161.04605	1.6
161.09732	1.2
161.13342	5.7
187.11284	25.8
187.64214	0.6
188.11722	0.9
189.09113	0.7
191.05650	0.8
205.12274	7.8
221.10335	6.6
242.97272	0.7
265.08130	0.7
290.65567	0.6
409.22260	5.9
453.21338	2.1
471.22446	4.2
513.23389	4.4
539.64923	0.7
557.29938	2.5
558.23096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03618	0.8
59.01376	100.0
61.98824	2.4
69.12628	5.5
71.01375	4.0
73.02958	1.7
79.05470	0.9
81.03468	0.9
85.02946	2.1
88.98839	0.8
89.02421	1.2
90.87061	0.8
93.03462	1.2
95.05032	1.8
96.23808	0.7
97.44787	0.8
101.02423	3.9
107.92890	0.8
113.02441	1.9
116.92860	2.7
119.05023	12.2
139.04022	10.1
161.04510	0.9
161.09685	0.8
161.13364	3.7
163.04004	11.1
165.21094	0.9
173.04610	0.8
187.11275	16.3
191.05612	1.4
195.99643	0.8
205.12311	6.6
211.24368	0.8
221.10310	3.4
409.22299	3.1
417.59692	0.7
429.43762	0.8
453.21249	1.5
471.22003	1.7
513.23370	3.2
557.13013	1.4
557.29626	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	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98849	0.9
69.22008	3.2
71.01394	2.5
71.29363	0.6
73.02950	1.7
78.55794	0.7
85.02952	1.6
87.00873	0.8
101.02465	2.8
103.00400	0.7
107.05060	0.9
111.04571	0.6
113.02486	1.3
116.92870	1.2
117.00430	0.6
139.04027	1.0
161.04611	0.9
161.09677	1.0
161.13361	3.2
182.93303	0.8
187.11285	18.4
205.12346	5.7
221.10303	5.2
231.10388	0.6
409.22247	4.0
453.21378	1.7
471.22467	2.8
513.23181	5.2
521.18671	0.7
557.29889	2.2
582.12268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32365	0.8
55.01862	0.8
57.03432	1.2
59.01376	17.7
61.98808	2.6
67.05526	0.9
68.26630	0.9
68.99821	1.4
70.46140	2.0
70.46468	1.1
71.01375	3.9
73.02953	2.0
73.91541	0.8
81.03459	1.6
81.96679	0.9
84.93871	1.8
85.02946	1.9
87.00877	1.0
88.98817	2.2
89.02454	2.5
93.03466	1.2
95.05013	9.3
96.96024	1.6
98.95583	1.9
99.00904	1.1
99.92575	9.8
100.93358	14.0
101.02448	3.3
106.45097	0.9
113.02451	3.2
113.06126	0.9
115.92073	13.1
116.07497	0.8
116.92856	81.4
117.92870	2.6
119.03468	1.2
120.39645	1.0
139.04010	100.0
140.04338	3.3
142.94418	1.8
146.03709	4.7
151.20963	0.9
158.73677	0.9
161.04538	1.0
163.03995	1.0
173.04590	1.1
184.91827	2.3
188.94261	0.9
190.02724	2.4
191.05598	1.0
194.21150	0.9
203.10820	1.4
205.05028	7.9
205.12392	1.6
207.06569	2.9
237.07629	13.4
265.09253	1.2
425.77454	1.0
435.10788	1.5
453.12198	2.7
471.13531	2.1
495.13303	2.6
497.20166	1.1
513.14325	5.2
514.24603	5.8
557.13361	21.5
557.21680	1.8
557.30261	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03448	0.8
59.01376	7.3
61.98822	1.5
67.05535	0.7
68.99818	0.9
69.03451	0.4
69.38785	2.0
71.01370	3.1
72.99287	0.5
73.02945	1.0
81.03457	1.2
84.93858	0.8
85.02953	0.5
85.76761	0.4
89.02451	1.4
93.03423	0.9
95.05028	8.7
96.96014	1.4
98.95595	0.7
99.92577	4.7
100.93355	7.2
101.02444	1.6
106.42072	0.4
109.02934	0.6
109.37792	0.5
111.04536	0.6
113.02456	1.4
115.92068	7.6
116.92860	48.1
117.92855	0.8
119.03416	0.6
124.01572	0.6
135.04509	0.6
139.04010	100.0
140.04347	4.1
140.71759	0.4
140.92850	0.5
141.04419	0.5
146.03752	2.7
148.05241	0.6
163.07657	0.6
167.03650	0.6
173.04512	0.6
184.91853	1.4
190.02692	1.5
192.04300	0.5
192.06711	0.7
205.05002	4.2
207.06641	1.8
217.68564	0.4
225.14978	1.1
237.07683	7.4
269.13898	0.5
270.19211	0.5
329.16180	0.7
347.27704	0.5
417.09778	0.6
435.11124	1.0
453.12045	1.0
471.13165	1.1
495.13434	1.7
513.14008	2.6
514.24567	2.7
521.11487	1.3
542.57281	0.5
557.13287	11.1
557.25525	1.2
558.13690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03454	0.4
59.01376	1.2
61.92720	0.2
61.98809	0.2
66.51369	0.2
67.05519	1.1
68.99812	0.8
69.03458	0.4
70.60699	0.3
71.01390	0.9
73.02938	0.4
80.02672	0.2
81.03456	0.7
83.01363	0.3
85.02948	0.4
93.03457	0.6
93.26908	0.2
95.05024	9.8
101.02441	0.8
113.02476	0.4
113.06091	0.3
124.01633	0.3
139.04012	100.0
140.04350	1.1
161.04602	0.2
222.02589	0.2
250.96367	0.2
256.72232	0.2
281.10028	0.2
315.89084	0.2
339.11258	0.2
363.71381	0.2
373.22366	0.3
415.95047	0.2
504.70856	0.2
557.25836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28662	0.3
55.01865	0.8
57.03433	0.5
59.01379	1.9
61.98814	0.3
67.05523	0.9
68.99812	0.6
69.03460	0.4
69.30525	1.0
69.30930	0.6
71.01385	1.2
73.02966	0.4
81.03461	0.9
85.02953	0.9
88.98769	0.3
89.02443	0.5
91.24178	0.3
93.03452	0.4
95.05025	9.9
99.00895	0.3
101.02437	0.7
112.56497	0.2
113.02448	0.7
116.92896	1.3
124.01663	0.4
139.04008	100.0
140.04324	1.1
146.03740	0.6
155.84285	0.3
185.20767	0.3
205.05060	1.0
207.06645	0.4
237.07668	1.7
514.24414	0.4
557.13239	0.3
557.25604	0.8
557.31787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04425	0.7
56.34955	0.7
59.01378	32.4
61.98822	4.3
71.01380	4.1
85.02962	1.3
89.02447	3.7
93.03477	1.6
96.96004	1.0
99.92572	1.2
101.02451	1.6
113.02444	1.9
116.92834	1.7
119.03487	1.4
119.20280	0.8
136.15410	0.8
144.04552	1.4
146.06131	10.4
159.50755	0.8
190.02762	1.4
190.05145	1.7
191.05592	3.5
205.05028	2.1
210.40755	0.8
223.06052	1.2
229.12305	1.2
265.09253	4.9
309.81000	0.8
335.22266	100.0
336.22601	3.7
349.20135	5.1
365.07010	0.8
367.10211	4.0
375.45648	0.8
443.19449	1.6
453.21216	1.9
497.27490	3.0
557.29700	2.3
558.15784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08356	0.4
55.01873	0.4
57.03439	1.0
59.01382	2.1
61.98824	0.6
67.01884	0.6
69.03455	5.6
69.21655	2.0
71.01372	0.8
71.05036	2.0
75.54385	0.4
80.02663	1.1
81.03451	1.5
83.01384	1.5
83.05025	5.0
84.02155	1.0
85.23432	0.4
91.21784	0.4
93.03419	0.5
95.05032	1.1
97.02925	0.5
97.06573	1.1
98.22579	1.0
109.06573	0.6
123.08165	1.9
125.06051	0.5
125.09727	4.2
135.08167	1.1
137.09686	0.9
149.09727	1.0
151.11293	3.7
153.12828	1.5
161.09698	6.2
162.10143	0.4
163.11264	3.9
165.12845	1.7
179.10774	19.5
180.11150	0.5
181.12288	0.8
185.11848	1.1
191.10814	1.4
197.11819	64.5
198.12120	1.4
209.11818	50.1
210.12164	1.5
221.11740	0.8
223.09770	2.8
227.12883	5.7
241.10803	8.1
241.13051	0.8
244.17650	0.4
297.13370	2.9
315.14432	10.9
356.66864	0.4
371.22510	0.5
380.30823	0.4
389.23279	1.2
455.01007	0.4
463.26932	1.1
507.25836	2.3
525.27002	100.0
526.27417	4.7
557.29791	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	557.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55514	0.3
51.02803	0.3
59.01377	27.7
61.98821	0.7
69.30799	0.9
69.31211	0.5
69.85038	0.3
85.02945	0.3
95.52218	0.3
98.22628	0.5
101.02438	0.5
107.60549	0.3
109.19379	0.3
119.03508	0.4
123.43272	0.3
191.05571	1.1
209.48268	0.3
221.06593	0.4
322.24527	0.3
335.22247	100.0
336.22650	3.1
497.27670	3.6
557.29761	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	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	28.3
61.98827	0.3
63.52539	0.1
66.65752	0.1
69.17432	0.9
71.01389	0.4
83.83982	0.2
86.51190	0.1
89.02431	0.3
89.93786	0.1
92.07104	0.1
101.02429	0.5
112.21326	0.2
113.02436	0.4
119.03508	0.3
153.71751	0.1
161.04639	0.3
190.42183	0.1
287.20413	0.4
317.21262	0.3
335.22250	100.0
336.22552	3.1
349.23926	0.4
398.71881	0.2
497.27570	1.9
557.29553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2963
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
51.46148	1.6
59.01381	18.9
61.98827	12.3
65.81261	1.9
69.07947	2.2
69.08347	7.4
71.01401	2.6
85.02930	1.8
98.95554	1.6
101.02435	1.6
105.28427	1.5
106.86228	1.5
111.04475	1.6
113.02434	2.9
116.92881	12.2
121.72259	1.7
131.03456	2.0
137.79581	1.5
186.49362	1.7
191.05644	3.4
287.15079	2.6
310.32724	1.6
335.22299	31.3
444.13013	1.8
474.20798	1.7
497.27539	100.0
498.27899	3.8
557.13483	2.3
557.30573	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	557.3097
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03449	1.8
59.01378	100.0
61.74413	1.0
61.98847	1.7
69.03442	1.1
69.38894	4.8
70.07899	0.9
71.01381	12.2
73.02943	3.2
74.73851	1.0
83.01391	1.7
83.05024	1.3
85.02943	5.5
87.00877	2.6
88.98840	1.5
89.02444	10.3
95.05045	2.0
96.96007	2.1
97.06569	1.0
99.92589	5.4
100.93346	9.5
101.02435	10.1
113.02435	8.5
115.92098	6.5
116.92859	47.9
117.92859	1.4
119.03495	4.7
135.04529	1.1
138.37781	0.9
139.04012	14.5
140.04381	2.6
140.82205	0.9
143.03514	1.8
161.04584	1.9
161.13374	7.3
179.05594	1.2
187.11281	20.3
191.05653	2.1
197.40184	1.1
203.14481	1.8
205.12291	11.1
219.13852	1.0
229.12366	2.6
247.13443	3.3
249.11458	1.1
265.09326	20.2
265.12921	5.2
273.11331	1.2
335.22470	1.6
435.10947	1.5
445.44254	1.1
453.12207	1.6
453.21460	6.1
471.13425	1.1
477.12439	1.3
495.13446	2.1
497.20120	2.2
513.14233	1.8
513.30536	1.5
519.31702	1.0
521.11420	1.3
521.33325	29.2
521.40863	1.7
522.33667	2.3
557.14081	9.1
557.23798	2.8
557.31012	76.4
558.31433	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	558.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	48.8
61.98824	2.8
71.01385	25.3
71.01784	1.6
72.59721	0.9
73.02936	1.2
74.06538	1.0
85.02937	3.6
85.03418	0.9
87.00872	2.0
89.02441	48.7
94.98071	1.3
95.01395	1.2
95.37169	1.0
97.81641	0.9
101.02435	16.6
113.02458	12.9
116.07175	2.5
119.03494	20.3
120.01255	5.2
124.50489	0.9
127.05098	1.3
131.03481	2.6
134.80449	1.1
140.46466	0.9
143.03549	5.2
143.04427	1.1
149.04549	2.6
150.77872	0.9
161.04553	11.2
179.05605	100.0
180.05931	1.4
189.09204	2.7
191.05589	1.0
228.17075	1.4
235.51099	0.9
236.35867	1.0
262.67917	1.1
292.10062	2.0
328.56308	1.0
341.10895	1.3
514.24774	1.3
558.28046	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	558.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36891	1.7
55.01884	3.0
59.01379	100.0
59.40216	2.0
61.98830	49.0
69.03434	1.9
69.21733	11.8
70.22951	1.9
70.97267	1.9
71.01381	51.1
72.99294	3.3
73.02953	10.3
80.02391	2.0
83.01386	4.8
85.02939	22.7
87.00875	5.8
88.98824	2.5
89.02442	34.7
93.03443	2.2
95.01395	2.2
97.02933	4.3
99.00891	9.8
100.46331	2.1
101.02435	36.4
102.98637	2.6
111.00901	2.5
111.04451	1.8
113.02456	23.7
114.05605	4.9
119.03528	15.8
125.02446	5.7
130.04240	2.9
130.08757	2.6
143.03499	13.2
145.10265	2.8
149.04553	2.3
157.06581	2.2
159.02972	2.8
161.04565	26.2
165.05714	2.1
173.04564	3.0
173.09683	3.9
179.05592	13.2
191.05597	8.5
191.10767	63.5
213.92752	2.0
221.06615	11.3
245.06677	7.4
263.07755	11.0
284.43741	2.1
305.08807	4.4
318.17676	2.2
323.09821	28.6
395.60403	1.9
396.09131	3.1
473.86838	2.2
498.23383	38.8
515.21375	6.2
522.20349	3.8
558.18817	3.1
558.30042	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	558.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98824	0.6
67.77922	0.7
70.59809	0.9
71.01379	11.8
73.02951	2.0
75.26421	0.7
78.07091	0.6
85.02963	2.4
87.00864	0.9
89.02441	17.1
96.04588	0.8
96.83191	0.7
101.02444	7.1
112.04062	2.1
113.02452	4.8
114.05669	0.8
119.03499	8.0
138.78926	0.6
139.75562	0.5
143.03473	1.3
149.04536	0.6
161.04628	2.0
179.05634	4.4
274.15720	0.6
274.18030	3.1
306.17343	0.9
318.17154	3.0
498.23468	30.6
499.24103	0.9
558.26074	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	558.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08290	0.3
53.36687	0.4
55.22308	0.3
57.03439	0.3
58.84223	0.3
59.01376	100.0
61.98827	0.7
71.01372	6.7
73.02943	1.1
83.01392	0.6
85.02952	1.6
87.00874	0.6
89.02441	8.6
95.01390	0.4
95.13287	0.3
96.04555	1.2
96.96019	0.5
101.02442	4.7
110.06129	1.3
112.04089	1.4
113.02460	2.7
114.05627	1.3
119.03499	3.9
131.03540	0.6
143.03545	0.6
161.04619	1.4
161.13359	0.5
179.05598	1.8
256.17050	0.5
274.18100	3.7
291.53577	0.3
300.16208	0.4
302.99057	0.3
306.17194	0.7
318.17224	1.3
498.23431	35.8
499.24088	1.1
558.25684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45160	0.6
59.01378	100.0
60.11218	0.7
61.98824	0.7
68.97142	0.7
69.89217	1.2
71.01380	12.0
73.02948	2.7
84.85004	0.6
85.02972	2.0
89.02448	8.5
96.04583	1.5
101.02440	5.8
110.06116	1.1
112.04036	1.8
113.02436	3.6
119.03519	5.4
129.99789	0.7
143.03523	0.8
150.04189	0.9
158.54477	0.7
161.04604	2.8
179.05608	1.4
191.05666	0.9
193.05080	1.0
198.05159	0.6
206.73499	0.7
220.00079	0.7
248.51402	0.7
274.18118	5.0
318.17221	2.2
333.88028	0.6
336.18106	1.4
464.18481	0.7
467.83603	0.7
498.23462	47.1
499.24051	1.6
558.26263	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	558.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98827	4.1
66.62980	0.5
69.32642	2.7
71.01377	15.5
71.28481	0.5
73.02942	5.0
73.03250	0.5
74.33722	0.5
83.01398	0.9
85.02936	3.8
87.00880	1.0
89.02439	17.3
93.03455	1.1
95.01402	0.8
101.02443	8.6
112.04099	0.6
113.02438	5.5
116.07189	1.5
119.03491	7.4
120.01274	0.5
127.05170	1.2
128.03677	0.7
131.03523	1.6
143.03502	1.4
149.04628	0.6
149.06067	0.7
161.04562	3.4
170.89771	0.6
179.05620	9.7
186.45291	0.6
191.05573	3.0
274.18103	8.4
300.15939	0.8
318.17081	7.1
336.18109	1.1
498.23444	64.3
499.23651	2.6
514.25134	0.9
540.27649	0.7
558.13239	0.8
558.26807	3.7
563.48822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
68.14715	0.5
71.43687	0.5
78.95899	11.8
78.96341	1.1
110.19167	0.5
140.01186	2.5
152.99648	0.9
172.77840	0.5
196.03790	3.3
197.75667	0.5
214.04790	2.7
279.23273	100.0
280.23557	4.2
356.07275	0.5
419.33853	0.6
476.27802	35.5
477.28357	1.6
525.82111	0.6
558.27161	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	558.328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67821	1.3
59.01369	5.1
61.98805	3.0
70.11446	1.4
71.01380	2.5
78.95895	14.5
80.96516	1.8
82.96090	2.4
101.02431	2.4
103.01527	2.2
113.02444	1.5
119.08201	1.3
152.99574	5.3
162.74724	1.4
164.46916	1.2
186.86520	5.3
251.34312	1.5
253.09282	13.9
279.23267	100.0
280.23587	2.9
281.24835	4.5
377.45929	1.6
506.32465	3.0
522.12073	3.4
523.12830	1.7
558.10461	1.6
558.29340	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	558.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.3
61.98827	4.7
69.84756	1.1
70.96159	2.0
71.01381	1.9
73.03981	1.2
89.02454	1.3
99.09682	1.1
101.02472	1.5
113.02495	1.5
127.26494	1.1
127.81779	1.1
147.88232	1.2
170.94524	1.2
235.08231	2.7
253.09248	15.8
279.23291	100.0
280.23654	2.4
281.24808	3.7
370.77304	1.2
439.97559	1.2
506.32428	1.8
554.11310	1.2
554.21417	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	559.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.6
61.98836	0.7
67.88548	0.3
68.99797	0.4
71.01375	1.2
72.99306	1.0
73.02931	0.6
74.19924	0.3
74.88326	0.3
82.95415	1.0
84.93871	3.4
85.02941	0.6
86.95467	0.5
87.00856	0.4
93.03477	0.6
95.05025	0.5
96.95373	0.8
96.96008	17.3
97.58731	0.4
97.93210	0.3
98.93919	0.4
98.95596	2.1
98.96248	0.3
99.00891	0.9
99.91897	0.5
99.92583	23.0
100.93362	25.7
101.93394	0.8
103.00351	0.7
113.02431	0.6
113.92581	0.4
114.93410	1.5
114.94942	1.0
115.92078	25.7
116.92859	100.0
117.92856	2.1
117.93608	0.9
126.94942	1.0
128.92868	2.0
137.02542	0.5
139.04008	5.1
140.92831	0.9
141.01733	0.4
141.93626	3.2
142.94412	5.5
152.96445	0.4
154.94408	4.2
156.92354	1.3
158.93912	1.1
166.94426	0.4
167.06335	1.0
168.95987	0.4
169.12396	0.5
169.93132	0.7
170.93910	1.4
172.95459	0.4
173.04561	0.3
174.93358	1.3
184.91820	3.3
184.95456	1.6
185.92667	2.0
186.93382	2.5
191.05661	1.4
194.94000	0.4
196.95476	1.3
199.94221	0.7
209.11830	0.5
211.92073	0.3
212.94969	7.4
213.95381	0.4
214.96420	0.4
224.94911	2.2
227.93616	0.5
228.98148	0.6
236.95135	0.5
242.96005	17.4
243.96590	0.8
255.93207	1.0
260.97037	2.3
270.95462	0.4
283.96313	0.6
284.97055	1.5
302.98126	3.9
310.97964	0.7
326.97192	0.7
328.96082	4.9
346.97141	6.4
347.97388	0.4
410.39178	0.4
437.00873	0.4
455.01974	1.0
473.03232	1.8
497.03406	0.5
515.04297	2.2
523.00897	2.0
552.53534	0.4
559.03198	12.9
559.30688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65372	0.2
53.81392	0.2
59.01360	0.4
64.52818	0.3
69.03461	0.5
69.29742	1.0
69.30164	0.6
71.01382	5.7
73.02940	0.3
85.02938	0.7
89.02411	0.3
93.03447	0.3
93.60376	0.2
98.21857	0.6
101.02430	0.5
108.02168	18.1
113.02435	2.8
115.00368	4.5
121.02966	0.3
123.03610	0.5
123.04519	10.8
133.01463	0.3
152.01147	31.5
167.03485	100.0
168.03819	1.2
177.01974	0.3
177.83788	0.3
209.04607	0.3
329.08746	29.8
330.08969	0.5
434.96915	0.3
443.11877	1.9
559.20258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65372	0.2
53.81392	0.2
59.01360	0.4
64.52818	0.3
69.03461	0.5
69.29742	1.0
69.30164	0.6
71.01382	5.7
73.02940	0.3
85.02938	0.7
89.02411	0.3
93.03447	0.3
93.60376	0.2
98.21857	0.6
101.02430	0.5
108.02168	18.1
113.02435	2.8
115.00368	4.5
121.02966	0.3
123.03610	0.5
123.04519	10.8
133.01463	0.3
152.01147	31.5
167.03485	100.0
168.03819	1.2
177.01974	0.3
177.83788	0.3
209.04607	0.3
329.08746	29.8
330.08969	0.5
434.96915	0.3
443.11877	1.9
559.20258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03442	4.5
59.01378	92.4
59.07085	0.9
61.98812	3.9
63.02395	7.8
65.00323	6.8
69.03405	1.1
69.38628	1.0
69.38963	4.7
71.01379	15.3
72.10252	0.9
73.02955	5.6
74.06916	0.9
77.61884	0.9
81.03420	1.0
83.01379	11.9
85.02977	3.9
87.00883	2.8
89.02444	8.7
93.03471	2.1
95.01389	1.7
95.05035	1.6
96.02175	1.5
96.96015	7.2
99.00870	1.9
99.04522	1.9
100.93359	1.2
101.02446	11.7
103.00356	3.2
107.01382	18.3
107.04993	1.0
109.02921	1.7
111.04544	1.1
113.02460	8.6
116.92857	3.6
117.92867	2.1
118.92642	1.7
119.03474	3.8
121.02955	1.3
124.01662	6.9
125.02442	15.0
129.05664	1.2
133.02945	1.2
135.04506	1.6
137.02449	1.4
139.04016	22.5
140.04352	7.6
141.04469	1.8
145.97882	1.0
146.03654	1.4
151.00369	72.5
152.01164	19.7
153.01962	5.0
159.03011	1.4
159.04492	1.1
161.02618	0.9
161.04573	5.9
161.05826	0.9
161.13336	8.1
169.01489	5.3
173.04561	2.6
173.06093	2.6
177.01917	3.6
178.99857	100.0
179.05682	1.7
180.00352	1.6
186.06847	1.7
187.04131	1.3
187.07657	4.2
187.11284	17.8
189.05568	2.4
189.09229	1.4
190.02724	1.8
191.05600	7.6
197.06161	1.3
199.07668	2.1
200.04756	4.0
205.05058	2.1
205.12331	18.9
206.05350	1.4
215.07101	27.0
217.08614	5.7
223.08253	6.0
225.05579	2.5
227.07166	3.1
235.96429	1.0
241.04955	3.0
242.05969	1.8
243.06586	2.8
253.05034	4.1
254.05782	1.6
255.03062	1.7
256.58646	1.0
265.05069	1.5
267.06516	2.1
267.10825	17.3
268.64069	1.2
271.02557	5.1
271.06143	8.3
293.08185	2.5
299.01779	2.2
300.02759	7.9
309.11853	2.8
311.09207	1.7
325.06995	1.6
333.07709	3.4
334.08578	1.5
335.09122	1.8
337.07147	1.3
351.08722	1.3
353.06552	14.2
354.07336	1.3
361.07260	1.4
369.09653	1.4
378.07361	1.7
379.08273	8.1
396.08084	1.1
397.09241	74.6
398.09622	2.9
411.20218	3.3
433.11401	2.6
445.21136	2.5
455.22812	4.5
465.81024	1.0
499.21790	3.0
499.28983	2.4
515.21320	2.3
559.14557	66.1
559.24048	6.2
559.31915	4.6
560.14978	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	559.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.9
59.01377	42.1
61.98817	4.3
63.02394	8.3
65.00316	11.0
67.76155	1.0
69.03440	1.1
71.01387	12.2
71.05004	2.1
73.02931	4.6
76.51517	1.1
81.03493	1.1
83.01392	11.5
83.03787	1.0
85.02953	5.0
87.00861	1.8
87.04517	6.8
89.02433	7.6
93.03426	2.3
95.01369	2.2
95.05014	2.7
96.02151	1.2
97.02932	3.5
101.02434	9.7
107.01380	20.5
107.02054	1.9
109.02902	1.8
110.02497	1.3
111.04524	1.9
113.02429	8.5
114.37948	1.2
115.04015	14.4
116.92841	7.1
118.92668	1.7
119.03481	3.5
124.01644	9.8
125.01621	1.7
125.02455	17.3
135.00920	1.1
137.02458	1.4
139.04025	17.1
140.04390	5.1
141.01929	1.1
141.04492	1.7
151.00378	89.7
152.01181	22.6
153.01915	4.2
158.02455	1.3
159.04463	1.4
161.04553	2.5
161.13434	1.1
169.01457	8.5
172.05226	1.2
173.04640	1.6
173.06062	3.9
177.01904	3.0
178.99863	100.0
179.05637	2.1
186.06841	1.6
187.07675	2.4
187.11320	2.4
188.04802	1.5
189.05516	1.9
190.05170	2.3
191.05611	4.8
199.07611	3.1
200.04787	4.9
201.05513	1.7
205.12373	3.6
212.04802	1.2
215.07118	29.7
216.07747	2.0
217.08714	5.7
225.05530	2.5
227.07147	3.2
238.08055	1.9
241.01353	1.4
241.04987	4.4
241.08833	1.0
242.02260	1.6
243.06558	3.1
249.05634	1.3
253.05014	4.7
254.05806	1.9
255.03096	1.3
267.10858	2.8
268.07043	1.1
270.01663	1.7
271.02512	3.9
271.06110	7.0
293.08359	2.3
296.03210	2.1
299.02023	2.6
300.02676	7.2
309.11774	3.6
311.09369	1.9
311.12802	1.2
321.04041	1.4
322.04779	1.2
325.07080	1.4
333.07755	3.9
337.07172	2.5
351.08411	2.2
353.06662	11.1
361.07031	7.7
378.07382	4.0
379.08121	12.4
397.09244	76.1
398.09485	1.5
433.11435	4.8
471.30399	1.4
499.29181	4.3
516.24518	1.1
517.29956	1.4
523.25458	1.1
559.14520	68.7
559.27502	16.7
560.14789	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	559.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
59.01382	4.3
61.98829	6.3
67.01907	3.1
69.03445	1.1
69.19592	0.9
69.19989	1.3
71.01382	3.7
75.63121	0.4
81.03438	1.0
83.05031	0.4
85.02945	1.5
87.00881	1.0
89.02457	1.1
92.87535	0.4
93.03461	23.8
96.96010	4.0
99.04557	0.5
109.02927	0.9
111.00871	1.2
111.04530	4.3
112.31832	0.4
113.02428	0.6
121.02946	1.9
127.04029	0.9
132.02148	0.6
133.02963	1.3
135.04538	1.1
135.33844	0.4
136.49194	0.4
137.02454	4.1
147.04527	1.3
149.02441	15.8
155.03508	4.7
156.17325	0.5
161.02408	1.3
164.04785	15.3
169.77495	0.4
173.04550	100.0
174.04843	0.9
175.27521	0.4
179.03441	0.6
179.07120	1.0
186.62929	0.4
191.03888	0.3
191.05602	9.6
210.84309	0.4
223.06110	22.8
224.06509	0.4
267.06689	0.9
272.33984	0.4
307.06015	0.4
308.06833	0.5
326.07529	0.5
335.07611	0.5
341.10342	0.8
367.08157	2.9
397.11362	40.9
398.11795	1.3
410.16083	0.4
440.90372	0.4
559.26001	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12586	1.3
52.13456	1.4
54.37384	1.5
59.01384	7.3
59.89839	1.5
61.98830	54.7
63.99255	2.3
64.41669	1.3
65.00314	4.1
67.01892	3.8
68.77342	1.5
69.11338	9.1
71.01383	5.3
72.99309	1.6
73.02937	3.4
76.09213	1.4
78.16692	1.3
81.03440	1.6
81.23792	1.4
83.05013	4.3
85.02972	5.9
87.00873	7.0
88.98840	1.7
89.02481	1.4
90.16591	1.3
91.01895	22.8
93.03458	21.0
108.02190	12.7
109.02965	8.2
111.00875	3.3
111.04512	21.7
113.02431	2.7
117.03483	1.5
121.02983	6.8
123.04525	55.3
127.03990	2.6
129.01929	2.6
132.02234	1.9
133.02945	11.6
134.03741	4.8
135.04527	66.5
137.02431	14.1
145.02939	10.0
146.03726	15.8
147.04507	4.9
149.02440	55.3
155.03508	37.9
158.03728	76.1
159.04517	100.0
160.04825	1.8
161.01091	2.3
161.02429	39.0
161.04572	1.7
161.06056	8.0
163.04024	1.5
164.04781	41.6
173.04555	87.1
173.06087	67.4
175.00320	2.1
177.01945	6.3
179.03490	68.3
179.07106	3.7
190.02708	10.4
191.05614	61.1
195.04849	2.1
205.05032	8.6
223.06102	80.0
228.00679	4.5
265.05014	8.7
266.05783	26.1
267.06680	5.1
280.07394	24.6
281.08179	71.7
282.08929	13.4
283.06226	2.5
285.07635	2.1
295.09842	9.4
297.11273	13.7
301.06851	1.6
314.07651	1.5
335.07727	33.2
335.11102	1.2
336.08212	1.7
341.10303	41.3
342.10434	1.4
352.05896	6.9
353.08783	29.3
367.08127	52.8
379.10352	19.3
385.09216	3.7
397.11414	26.1
445.11594	4.6
519.42816	1.5
521.19733	1.8
554.78265	1.5
559.14655	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03453	4.9
59.01378	89.9
61.98834	5.7
63.02407	7.3
65.00327	11.1
66.41983	1.1
66.98816	0.9
69.03441	1.8
71.01380	28.2
71.05010	1.3
72.99309	1.2
73.02946	13.5
79.55235	1.0
81.03457	2.0
81.76739	1.0
82.95419	1.8
83.01380	12.7
83.05016	2.4
83.11387	1.0
83.82172	0.9
85.02956	10.0
87.00895	5.2
87.04532	2.1
89.02447	21.1
93.03445	4.5
95.01369	3.3
95.05027	2.8
96.02135	1.3
96.96003	4.3
97.02940	1.9
97.06622	1.3
99.00846	1.3
99.92590	1.7
100.93327	1.0
101.01781	1.7
101.02441	23.5
107.01382	21.2
109.02957	2.6
111.04524	3.2
113.02454	16.4
115.03996	2.5
116.92160	1.3
116.92867	8.4
119.03465	7.0
123.08156	1.9
124.01657	10.1
125.02461	13.1
127.04025	1.3
127.11131	0.9
129.05515	1.7
129.59503	1.0
131.03490	1.5
133.02991	1.4
135.04521	1.9
137.02428	1.5
139.03024	1.5
139.04021	18.1
140.04341	2.5
141.04672	1.1
141.09209	5.7
143.03461	3.9
149.04538	1.5
151.00372	100.0
151.99945	1.8
152.01154	27.4
153.01923	3.9
159.03038	1.2
159.04437	1.4
161.02422	1.7
161.04559	7.8
161.13353	4.4
163.06204	1.0
167.03442	2.0
169.01451	11.5
173.04510	2.9
173.05998	2.1
177.01950	9.0
178.99854	65.1
179.05559	4.7
185.06075	1.3
186.06837	1.8
187.02365	1.3
187.03998	1.6
187.07614	2.3
187.11288	7.1
189.09192	2.7
191.05656	7.2
198.06665	1.3
199.07594	3.7
200.04788	3.2
205.12282	8.5
211.03928	1.3
215.07106	17.9
216.07863	2.9
217.08690	6.1
225.05476	2.4
227.07098	4.7
237.07622	2.0
241.05005	1.6
242.02164	1.6
243.06523	2.1
253.05029	4.8
254.05902	1.3
267.10712	6.8
271.02435	3.3
271.06079	4.6
277.05017	1.1
289.08658	1.7
293.08044	2.2
294.04871	1.2
299.01859	2.2
300.02719	4.7
305.08105	3.1
308.03186	3.2
309.11905	3.6
311.09116	2.3
321.03876	2.0
322.04691	2.3
325.07196	1.6
333.07687	10.7
336.02438	1.3
337.23795	2.2
350.04315	2.8
351.08600	3.3
353.06491	4.2
353.13785	2.4
361.07245	21.4
378.07559	6.1
379.08188	24.8
385.16565	1.6
385.25842	1.8
396.08813	1.4
397.09250	41.0
398.09534	2.2
407.13443	1.6
421.86960	1.1
433.11212	2.0
455.22897	2.0
499.21875	2.3
499.29034	9.6
515.32477	2.2
517.30042	4.2
541.13348	1.8
559.14435	52.9
559.23029	6.4
559.30725	8.9
560.14612	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	559.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.8
61.98823	1.1
68.37246	0.4
69.07187	3.0
71.01379	3.6
73.02952	1.7
83.01381	0.5
84.93872	1.8
85.02946	1.2
87.00893	0.5
89.02448	1.9
96.96010	4.5
98.21892	1.0
98.95601	3.5
99.00900	1.1
99.92580	10.7
100.93359	11.7
101.02441	2.4
103.00376	0.5
108.02162	0.7
109.02943	0.8
113.02440	1.9
115.92079	12.6
116.92858	100.0
117.92916	2.0
118.92670	0.8
119.03465	0.9
125.09779	0.5
139.04005	4.8
140.92879	1.2
142.94362	1.1
143.03474	1.0
152.01163	0.9
158.93941	0.9
161.04539	1.4
179.05614	0.8
184.91846	2.6
185.92595	0.5
186.93442	0.6
191.05562	1.1
196.95320	0.5
245.02010	0.4
353.06641	2.8
387.33545	0.4
410.94830	0.5
437.12863	2.1
438.13251	0.5
445.16888	1.5
455.13712	2.4
473.14844	3.3
479.13754	1.7
497.14886	1.1
515.15894	7.0
523.12897	0.5
559.14563	29.8
559.28699	0.8
560.14911	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	559.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24844	3.8
57.03442	3.6
59.01371	26.4
61.98828	100.0
62.87974	3.8
70.66270	6.5
71.01377	18.7
73.02939	5.5
85.02949	6.7
89.02433	11.6
97.80811	4.1
101.02457	12.4
108.02185	8.2
113.02448	16.0
120.99654	8.2
123.04488	25.0
125.02452	7.2
130.08714	3.8
131.89113	4.6
134.49619	4.3
139.03943	4.9
141.65944	3.9
144.70184	5.3
145.08614	4.8
146.03723	5.2
161.06047	11.0
167.03477	5.8
179.05530	5.9
191.05637	6.3
195.04846	30.3
216.30023	3.9
223.97395	4.1
266.21143	4.4
325.10809	4.9
331.48117	4.6
337.10840	15.1
361.16568	4.9
445.11758	30.9
559.19458	32.1
559.27448	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
61.98829	4.0
69.03443	1.1
70.62077	0.8
71.01363	3.1
71.04982	0.8
71.29901	0.8
73.02940	1.2
81.03484	1.0
83.05016	2.7
84.41308	0.8
84.76987	0.7
85.02951	1.9
89.02451	1.6
89.39117	0.9
93.03445	1.7
97.06573	3.1
101.02425	1.8
108.02168	35.5
109.02946	30.8
109.03690	1.8
111.04496	2.0
113.02421	1.4
117.29301	0.8
120.07613	0.8
121.06551	0.9
123.08174	1.0
125.02411	1.7
125.06067	1.0
128.03531	0.9
137.02428	2.1
143.07112	2.9
151.04027	0.9
152.01151	55.1
153.01938	25.9
153.05547	2.3
163.03978	1.6
174.45062	0.7
181.12344	4.0
191.05556	3.0
197.75940	0.9
199.13370	6.2
207.84689	0.8
217.12308	0.9
223.13344	1.3
225.11244	1.1
243.12343	9.2
254.11710	1.8
257.13708	0.8
261.13358	6.2
267.12360	4.9
287.05661	1.2
290.08298	0.8
340.45465	0.9
361.16434	1.4
515.21106	3.0
523.21686	2.4
541.18921	1.1
559.20215	100.0
560.20587	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	559.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03440	1.3
57.92493	1.1
59.01376	87.4
61.98817	5.2
69.03439	3.6
69.36266	2.0
69.36665	4.4
71.01379	70.3
72.99304	1.6
73.02949	16.8
81.03455	1.6
83.01390	5.3
85.02946	14.4
85.25628	1.1
87.00875	6.5
89.02441	82.4
92.59952	1.0
95.01389	4.9
95.05025	4.4
96.65817	1.0
96.95993	1.4
97.02953	1.8
98.21957	2.3
99.00877	2.3
99.04526	1.7
101.02438	57.7
103.03996	1.1
107.03468	1.4
108.71422	1.2
109.02991	1.2
111.04496	4.0
112.04863	1.2
113.02447	41.9
113.03252	2.3
116.92838	4.6
117.92928	2.9
118.92711	1.8
119.03504	32.4
123.08190	3.0
125.02443	6.6
125.09711	1.1
131.03500	8.5
137.02415	1.4
139.04007	60.7
143.03473	10.5
149.04524	2.7
159.02960	1.2
161.04552	26.1
166.32726	1.1
172.72479	1.3
177.01941	1.7
179.05595	100.0
187.02487	1.4
191.05573	3.1
193.05042	1.8
212.45474	1.2
221.06651	22.6
283.11670	2.3
353.06577	4.3
445.17096	60.4
446.17621	2.1
515.20770	2.2
559.13318	2.6
559.20935	10.8
559.27972	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	559.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03440	1.3
57.92493	1.1
59.01376	87.4
61.98817	5.2
69.03439	3.6
69.36266	2.0
69.36665	4.4
71.01379	70.3
72.99304	1.6
73.02949	16.8
81.03455	1.6
83.01390	5.3
85.02946	14.4
85.25628	1.1
87.00875	6.5
89.02441	82.4
92.59952	1.0
95.01389	4.9
95.05025	4.4
96.65817	1.0
96.95993	1.4
97.02953	1.8
98.21957	2.3
99.00877	2.3
99.04526	1.7
101.02438	57.7
103.03996	1.1
107.03468	1.4
108.71422	1.2
109.02991	1.2
111.04496	4.0
112.04863	1.2
113.02447	41.9
113.03252	2.3
116.92838	4.6
117.92928	2.9
118.92711	1.8
119.03504	32.4
123.08190	3.0
125.02443	6.6
125.09711	1.1
131.03500	8.5
137.02415	1.4
139.04007	60.7
143.03473	10.5
149.04524	2.7
159.02960	1.2
161.04552	26.1
166.32726	1.1
172.72479	1.3
177.01941	1.7
179.05595	100.0
187.02487	1.4
191.05573	3.1
193.05042	1.8
212.45474	1.2
221.06651	22.6
283.11670	2.3
353.06577	4.3
445.17096	60.4
446.17621	2.1
515.20770	2.2
559.13318	2.6
559.20935	10.8
559.27972	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	559.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21750	0.8
51.51077	0.8
55.01875	0.9
57.03442	1.1
59.01376	100.0
61.98825	2.8
69.07312	1.6
69.07713	4.7
71.01379	12.9
73.02943	4.9
76.47739	0.8
81.03457	0.9
83.01377	2.0
85.02929	5.8
87.00892	1.3
89.02437	7.7
91.69173	0.8
95.01380	1.3
95.05016	4.2
98.22633	1.2
99.00863	1.3
101.02435	13.1
105.05524	1.1
111.04539	1.0
113.02443	11.1
116.92841	2.4
117.92826	1.1
118.92680	1.0
119.03505	2.8
122.02441	0.9
139.04012	27.1
140.04333	9.9
141.04521	5.0
143.03517	1.1
151.00327	2.1
152.01117	0.9
159.03006	1.0
161.04543	6.3
161.09763	1.3
161.13351	11.9
173.04533	1.4
178.99780	2.4
179.05595	1.4
187.09563	1.1
187.11258	23.5
188.11360	0.8
191.05545	2.5
205.12311	19.9
223.08200	10.0
237.07718	1.3
238.07974	1.5
245.37469	0.8
267.10825	17.3
353.06601	6.8
397.09277	1.6
411.20071	6.7
445.20630	6.5
455.18665	1.6
455.23697	1.3
473.20016	2.2
499.21750	2.4
499.29175	3.4
515.21509	5.7
517.29913	1.1
524.28406	1.2
559.14368	7.7
559.23871	4.6
559.32922	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	559.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45484	0.8
55.01878	1.0
57.03445	1.6
59.01377	100.0
60.33517	0.9
61.98816	1.1
67.75026	0.8
71.01375	8.3
73.02930	3.0
81.03399	0.8
83.01371	1.3
85.02948	3.4
87.00867	2.2
89.02432	4.4
93.03460	3.0
95.01330	0.8
95.05013	0.8
96.95972	1.1
99.00870	1.0
101.02435	7.4
103.00359	1.2
109.06577	1.1
113.02409	5.2
113.21086	0.8
116.92957	0.9
119.03494	2.2
121.02946	25.5
122.03723	3.0
125.02458	1.0
136.05344	1.1
139.03979	5.8
141.01712	4.0
142.21396	0.8
151.03947	1.7
151.07663	2.2
161.04562	3.2
161.09685	1.3
161.13347	7.5
179.05629	0.9
187.11273	18.7
189.09317	0.9
191.05623	2.0
205.12344	13.6
207.10222	1.3
223.08235	10.0
249.11392	0.9
258.09033	2.7
266.57327	0.8
267.10843	5.0
272.10495	2.1
273.11304	75.9
274.11649	6.2
275.11819	3.7
290.72079	0.9
305.17551	2.2
309.11893	0.9
355.05368	0.8
355.11548	3.5
384.27213	0.8
411.20193	6.6
417.15512	2.0
455.18289	4.2
473.20300	3.1
499.29144	2.5
515.21283	5.2
521.33240	1.8
559.14594	1.7
559.23987	3.7
559.30646	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	559.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12126	0.5
51.61724	0.5
52.43058	0.5
59.01375	4.1
61.98832	3.9
66.19342	0.5
66.52035	0.5
67.05150	0.5
71.01385	2.9
73.02930	0.8
80.69488	0.5
81.03464	1.4
83.05043	2.7
85.02948	2.2
88.53843	0.5
89.02442	1.0
93.03432	1.1
95.70930	0.5
96.35803	0.5
97.06593	2.6
97.62767	0.5
99.08167	0.9
101.02468	1.5
108.02172	33.5
109.02956	28.0
111.04489	1.8
113.02435	1.2
123.00888	0.5
123.04504	0.7
123.08155	0.7
125.02425	1.5
125.06065	1.0
137.02443	1.7
139.07686	0.8
142.87582	0.8
143.07114	2.9
151.04033	0.8
152.01147	50.9
153.01935	23.5
153.05536	0.8
161.02469	0.7
164.01120	0.7
167.03496	0.7
173.04602	0.7
176.11198	0.5
181.12303	3.2
191.05708	2.6
199.13417	5.0
205.87155	0.6
223.13333	0.9
225.11366	1.6
243.12347	7.3
257.13864	0.8
261.13358	6.2
267.12439	4.3
279.37091	0.6
285.13412	0.8
294.04636	0.7
299.02856	0.7
315.07297	1.0
343.15546	0.9
361.16483	1.7
361.22205	0.9
405.17441	1.3
445.19635	0.7
447.79797	0.7
515.22278	3.3
516.20874	0.9
523.21893	4.9
541.18884	0.9
559.20264	100.0
560.20593	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	559.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64581	0.8
57.03433	0.9
59.01381	19.0
61.39214	0.8
61.98829	23.1
62.14582	0.9
69.03451	0.9
70.80683	1.1
70.81049	0.9
71.01373	7.2
73.02940	2.5
76.62851	0.8
81.03456	1.4
83.05018	1.1
83.18203	0.7
85.02946	3.4
85.30199	0.9
87.00874	2.5
89.02444	5.4
93.03463	6.5
96.95998	7.9
99.00873	1.8
100.93401	0.8
101.02456	2.8
108.02138	1.1
111.04517	3.8
113.02464	1.6
114.12047	0.9
121.02964	0.9
125.02426	2.8
129.02016	0.9
131.03520	1.0
136.01663	67.2
136.05321	1.2
137.02452	1.1
140.91931	0.8
143.03467	0.8
151.04005	100.0
152.04393	1.0
155.03545	4.0
161.09682	3.2
173.04553	19.7
187.11247	1.8
189.12817	3.4
191.05614	12.6
213.09048	1.0
214.56070	0.8
227.10803	4.2
233.06667	1.9
233.11821	26.8
250.81519	0.9
265.08658	1.3
293.08731	3.9
308.13995	1.1
323.16370	1.6
367.15558	1.3
385.16534	73.8
386.16696	2.5
407.16943	4.0
451.52301	1.0
473.11295	1.6
505.36349	0.9
517.29590	1.1
521.13116	1.2
521.20251	11.8
523.20673	1.9
559.21802	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	559.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99259	2.4
61.98826	3.7
64.92760	2.4
69.90530	5.6
69.90926	5.6
78.95904	28.4
118.96310	2.8
128.03394	2.9
141.62788	2.4
152.99467	4.6
168.04378	3.7
175.19519	2.7
186.45102	2.6
224.06960	6.7
242.08031	3.2
277.21716	95.8
337.49432	3.0
379.98151	3.1
495.56421	2.7
502.29346	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	559.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.98835	2.0
63.47906	1.7
69.83700	1.6
78.95900	9.9
90.05073	1.5
135.64352	1.5
152.99544	5.5
168.04358	1.9
222.60677	1.7
242.07913	2.1
277.21722	100.0
278.22287	2.6
296.79938	1.6
362.53107	1.6
474.26364	2.7
502.29340	44.8
503.29453	2.1
511.53958	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	560.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41019	6.0
59.01366	31.3
61.98834	56.2
69.09652	39.5
71.01376	16.7
73.04079	6.3
89.02436	8.7
98.21790	12.4
101.84418	5.7
110.02219	6.2
120.99608	6.5
123.04499	10.3
125.02457	10.1
146.06030	6.1
191.05652	10.7
195.04875	11.1
219.86758	6.3
234.94254	5.9
267.06787	9.8
279.06747	15.1
291.06628	9.1
295.06088	22.1
306.08789	19.0
307.06064	27.8
310.08517	20.1
322.08502	22.4
325.10779	56.6
337.10809	100.0
446.12091	13.5
456.88364	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	560.2497
Annotation	Apetaline A
Peak:m/z	Relative Intensity
50.03740	0.9
50.76758	0.8
51.14201	0.9
51.15329	0.8
55.01867	1.5
55.33221	0.8
59.01371	6.0
59.23264	0.9
61.98825	19.1
68.05038	1.2
69.03440	1.0
70.18371	1.8
71.01381	2.5
83.01404	1.1
85.02950	1.5
89.02445	2.1
96.96012	1.0
98.22571	1.2
101.02443	2.2
107.05038	2.1
109.02937	2.0
111.04560	0.9
112.01617	1.0
113.02442	2.4
119.03480	1.0
119.05054	0.9
121.02875	1.2
121.06589	2.2
123.04506	3.5
125.02431	2.9
125.06100	1.0
135.04466	1.9
136.05301	1.8
137.06084	1.8
139.04028	1.4
146.06107	3.0
147.04497	1.0
149.02512	1.0
149.06030	2.0
151.03983	2.3
153.05573	1.2
163.04021	1.9
164.04770	2.5
167.07210	1.0
173.05981	1.0
177.05556	1.0
178.08731	1.1
179.03575	1.3
191.03499	1.3
191.05582	3.2
195.06648	1.2
205.08630	1.3
206.11774	1.7
207.02953	1.1
208.03717	3.6
209.04544	2.7
219.06604	1.0
223.06143	1.0
233.08252	1.2
235.02431	2.1
251.45023	0.9
277.07230	2.5
304.15546	1.2
412.17639	2.6
414.15594	2.1
430.18646	13.4
525.23529	1.5
528.22284	3.2
560.24957	100.0
561.25305	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	560.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
60.37151	0.4
61.98827	100.0
63.86097	0.4
69.13858	1.3
69.14247	0.6
69.32869	0.4
93.03442	0.4
98.21884	1.0
103.73138	0.3
125.86063	0.5
133.17743	0.4
146.06117	7.5
146.07198	0.6
147.06459	0.7
151.04024	0.5
154.51558	0.4
162.58980	0.4
173.40797	0.4
190.05101	1.3
191.05620	0.9
225.07744	1.2
240.93158	0.4
327.14673	0.4
425.88391	0.4
441.71652	0.4
560.25403	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	560.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
61.98826	100.0
69.27734	0.2
69.28022	0.9
146.12718	0.2
210.13098	0.2
240.04445	0.1
241.69067	0.2
269.90314	0.2
297.00354	0.2
330.92255	0.2
405.82681	0.2
434.69473	0.2
441.07233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83878	0.1
56.86451	0.1
57.75880	0.1
59.01375	0.3
61.98828	100.0
69.17072	0.3
69.17483	0.2
78.18671	0.1
125.02456	0.1
133.84167	0.1
135.04533	0.1
146.06120	0.3
191.05632	0.1
255.06970	0.1
336.22723	0.3
337.22839	0.2
338.23288	0.2
478.79593	0.1
528.89685	0.1
560.27753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.63990	0.7
57.03440	0.8
58.00585	0.7
59.01381	97.2
60.70679	0.7
61.98822	2.5
69.73827	2.0
69.74187	1.0
71.01384	29.3
72.99345	0.7
73.02960	3.8
83.01385	2.2
85.02940	6.6
87.00877	2.0
89.02444	33.7
95.01382	2.9
96.96027	4.5
98.22617	0.9
101.02446	22.8
106.42551	0.7
111.00889	0.8
113.02449	14.5
119.03503	14.8
131.03487	1.6
143.03529	2.7
146.10948	0.7
149.04533	1.9
152.01089	0.9
153.05423	0.7
161.04584	6.2
167.03545	1.4
168.39029	0.8
172.19711	0.8
179.05640	5.1
191.05513	1.7
193.04805	0.9
204.38460	0.7
237.14893	0.9
276.19547	0.7
313.30295	0.8
320.18515	1.0
338.19684	8.7
375.22409	0.9
407.76172	0.7
500.25009	100.0
501.25275	5.6
560.24426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48876	0.9
59.01372	2.3
61.98834	1.2
69.62439	3.5
71.01385	2.7
88.29181	0.8
89.02454	2.2
101.02436	2.4
103.66775	1.0
113.02438	1.4
161.04507	1.3
176.68079	0.8
221.92505	1.0
235.08168	1.5
253.09280	11.0
281.24847	100.0
282.25098	3.3
285.18085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51208	2.8
59.01378	4.6
60.67455	2.9
61.98831	4.0
71.41768	2.8
103.26847	3.1
141.39670	2.8
158.78131	3.1
165.99428	2.6
186.39522	2.7
194.62630	2.7
208.88838	3.3
243.19237	2.8
253.09158	13.5
281.24841	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	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	16.5
69.14606	60.1
69.14958	20.3
69.24055	10.6
87.72266	10.2
89.02426	15.2
91.04005	100.0
115.47725	10.1
130.74240	10.1
147.85310	10.6
212.71964	13.1
307.30008	63.6
351.28946	20.2
369.30023	39.4
425.32715	79.9
443.33777	93.0
462.24466	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	560.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.1
59.88335	4.7
69.23172	23.8
78.95911	39.9
82.76099	5.6
89.02419	12.3
89.89287	4.7
91.04009	91.6
98.22615	9.4
110.98530	10.3
115.10573	5.5
119.78080	4.9
131.15627	5.5
134.92143	4.7
153.29567	5.2
167.01158	23.8
168.01523	5.8
192.50636	5.1
207.00403	11.4
226.54100	5.9
307.30014	56.4
349.62128	5.8
351.28970	32.1
369.30136	49.2
378.10941	6.1
425.32700	80.2
443.33685	100.0
470.23654	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	560.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.6
69.13298	18.0
71.01388	4.9
78.95892	9.0
89.02433	17.9
91.03447	5.4
91.04007	100.0
97.21404	2.7
98.21857	4.7
114.98360	2.8
152.99551	2.6
167.01189	3.4
184.38106	2.6
207.00214	3.3
220.64828	2.9
251.81282	2.6
279.35571	2.7
307.30023	60.0
344.92889	2.8
351.29086	38.8
369.30099	46.7
420.46771	3.1
425.32721	90.1
433.22556	3.1
443.33743	99.4
488.11829	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	561.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.7
70.02025	0.7
70.33905	0.7
71.38185	0.7
71.38540	0.8
80.74566	0.7
93.71308	0.7
99.04508	4.0
105.97196	0.7
107.94330	0.7
115.03989	2.5
130.96655	1.0
131.03467	0.8
143.03510	12.7
161.04570	3.2
170.99763	4.9
173.01312	2.1
176.01152	1.4
186.99228	2.0
194.59769	0.7
198.99258	3.3
201.00790	1.8
213.04529	0.9
214.98694	1.1
217.00356	3.7
225.04543	0.9
226.98779	1.3
251.02411	0.9
260.96097	1.1
269.03500	1.5
272.96085	1.7
288.95468	2.0
290.97095	0.9
296.99628	2.3
297.02811	1.1
300.95563	1.7
302.97025	1.3
310.97629	1.3
311.01175	0.7
312.99170	2.3
315.00745	1.4
322.97733	1.9
324.99124	7.2
326.97137	0.9
327.00726	1.9
328.98703	0.9
336.99716	2.0
338.96988	2.6
340.98590	7.6
343.00140	4.6
350.97198	0.9
352.98666	9.7
355.00165	5.3
358.99768	3.0
368.98242	1.7
370.99704	18.9
373.01242	6.3
380.98193	2.7
386.98654	0.9
398.99707	29.4
417.00314	25.7
425.04526	1.2
451.02420	3.7
453.03748	1.3
469.03629	1.5
479.01740	1.4
481.03088	1.8
497.03012	9.3
499.04504	2.2
515.86548	0.8
525.02802	2.5
543.03436	100.0
544.03790	3.2
561.04510	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
61.98826	0.9
67.01897	0.7
69.03453	1.0
69.43100	0.9
69.43484	1.5
70.66853	0.5
71.01360	2.8
73.02933	1.1
82.95437	0.7
83.01376	0.8
85.02941	1.5
89.02449	1.5
93.03456	1.8
97.60229	0.5
101.02448	2.4
107.01392	2.2
113.02446	4.2
121.02894	0.5
131.48129	0.5
135.00883	1.1
136.01611	0.5
139.04042	2.9
140.04454	0.6
151.00374	1.9
155.03647	0.5
159.04488	1.2
161.04506	0.9
163.00334	1.9
173.04590	1.5
185.06026	1.7
187.03983	1.4
189.05588	1.3
191.05637	1.7
197.06091	1.0
199.04013	1.1
205.05011	1.2
207.06535	0.6
211.03984	1.6
213.05527	1.2
227.03485	16.2
229.05020	8.8
237.07722	1.7
239.03500	1.9
241.04991	0.6
243.02927	0.7
255.02969	36.7
256.03723	3.1
257.04587	4.7
262.86575	0.5
284.03253	61.5
285.04028	72.2
286.04379	2.3
399.23755	1.2
447.09296	100.0
448.09610	4.5
561.11737	4.9
561.21356	1.2
561.29077	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	561.14
Annotation	Catechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
57.03448	3.9
69.03458	0.6
70.25835	0.9
70.26152	0.6
71.01368	1.2
81.03452	2.2
81.07469	0.6
83.01366	4.0
93.03455	2.2
95.05031	2.8
97.02950	5.4
102.47305	0.6
105.03498	0.8
107.05013	1.0
108.02169	1.3
109.02945	18.5
109.36198	0.6
111.64839	0.5
115.00372	0.9
121.02951	13.9
122.03294	2.5
123.04514	13.8
125.02442	31.5
128.03517	1.5
131.05020	0.6
133.02939	2.7
133.06566	0.7
135.04521	2.2
137.01425	1.1
137.02440	16.2
138.03210	0.9
139.04027	4.3
145.03018	1.3
146.03743	1.4
147.04486	0.6
149.02441	4.8
150.03253	0.7
151.03984	8.8
157.06659	0.8
159.04498	2.3
160.05260	1.3
161.02444	3.0
161.06070	5.5
162.03197	1.8
163.00394	1.2
163.03972	2.2
164.01138	12.4
165.01935	6.0
165.05576	0.7
167.03458	2.7
168.03613	0.5
173.06090	0.8
175.04019	4.4
175.07616	1.4
176.01080	0.8
177.01909	3.6
179.03479	5.4
185.06088	2.3
187.03984	5.1
188.04787	4.3
189.05560	1.1
189.28372	0.6
191.05635	1.2
199.07681	1.2
201.05571	1.0
202.06342	1.8
203.07098	12.6
205.01445	3.1
205.05043	8.9
212.04755	1.0
221.08148	2.6
227.03477	0.8
227.07098	2.0
228.04259	0.7
229.05038	1.4
230.05893	0.7
231.02922	0.7
237.03891	0.9
243.06662	0.6
245.08156	15.2
247.06102	1.4
255.03020	1.7
256.03763	0.9
269.08063	0.6
271.06119	12.2
273.04395	1.0
273.07623	6.3
281.04462	0.7
285.03943	0.7
289.07153	100.0
290.07468	2.6
328.05991	1.3
329.06509	2.8
339.08768	1.4
381.09616	0.8
407.07675	10.2
409.09290	1.0
425.08698	1.6
435.10901	10.6
543.12885	1.8
561.13959	5.3
561.23566	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32884	0.3
55.01868	0.4
55.67965	0.4
55.89146	0.4
57.03432	1.0
59.01378	13.1
60.00833	0.4
61.98828	2.5
67.01883	3.6
67.85101	0.4
68.99820	3.2
69.03458	2.1
70.06812	0.9
71.01013	0.6
71.01382	9.0
71.71548	0.4
73.02949	0.9
79.01880	0.5
81.03459	1.3
83.01377	0.6
83.05022	1.1
85.02952	2.4
87.00857	0.8
87.04478	0.5
87.29697	0.4
88.98805	1.5
89.02460	4.9
93.03458	15.9
95.01385	23.0
96.96004	2.0
97.02947	0.4
99.00878	0.7
99.04514	0.6
99.92587	0.8
100.93367	0.8
101.02445	10.8
109.02967	1.1
111.00857	0.7
111.04531	4.0
113.02467	2.6
115.92071	0.9
116.92850	3.7
118.54969	0.4
119.03519	2.3
121.02962	1.2
123.00871	1.0
123.04520	8.6
125.02446	0.5
127.04027	1.2
135.04520	3.3
137.02498	1.0
139.04030	0.7
146.33502	0.4
149.02451	1.0
151.04018	0.6
155.03505	100.0
156.03827	1.0
157.05051	1.4
161.04582	1.2
163.77698	0.4
173.04535	8.6
174.71094	0.4
179.05621	0.9
181.05067	0.8
191.05641	1.5
193.05061	1.2
225.07556	0.6
276.45691	0.4
285.09784	0.7
285.78506	0.5
297.06430	0.5
297.09793	0.6
311.07645	1.0
329.08752	4.1
447.22449	0.8
525.10785	0.5
525.29608	0.7
561.18280	75.9
562.18939	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	561.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32884	0.3
55.01868	0.4
55.67965	0.4
55.89146	0.4
57.03432	1.0
59.01378	13.1
60.00833	0.4
61.98828	2.5
67.01883	3.6
67.85101	0.4
68.99820	3.2
69.03458	2.1
70.06812	0.9
71.01013	0.6
71.01382	9.0
71.71548	0.4
73.02949	0.9
79.01880	0.5
81.03459	1.3
83.01377	0.6
83.05022	1.1
85.02952	2.4
87.00857	0.8
87.04478	0.5
87.29697	0.4
88.98805	1.5
89.02460	4.9
93.03458	15.9
95.01385	23.0
96.96004	2.0
97.02947	0.4
99.00878	0.7
99.04514	0.6
99.92587	0.8
100.93367	0.8
101.02445	10.8
109.02967	1.1
111.00857	0.7
111.04531	4.0
113.02467	2.6
115.92071	0.9
116.92850	3.7
118.54969	0.4
119.03519	2.3
121.02962	1.2
123.00871	1.0
123.04520	8.6
125.02446	0.5
127.04027	1.2
135.04520	3.3
137.02498	1.0
139.04030	0.7
146.33502	0.4
149.02451	1.0
151.04018	0.6
155.03505	100.0
156.03827	1.0
157.05051	1.4
161.04582	1.2
163.77698	0.4
173.04535	8.6
174.71094	0.4
179.05621	0.9
181.05067	0.8
191.05641	1.5
193.05061	1.2
225.07556	0.6
276.45691	0.4
285.09784	0.7
285.78506	0.5
297.06430	0.5
297.09793	0.6
311.07645	1.0
329.08752	4.1
447.22449	0.8
525.10785	0.5
525.29608	0.7
561.18280	75.9
562.18939	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	561.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98825	0.3
65.00328	0.2
67.88244	0.1
68.99805	0.9
69.09316	0.4
69.09721	0.6
70.02966	0.5
71.01374	0.2
71.05005	0.7
77.97790	0.1
80.90144	0.2
82.19266	0.1
82.95408	0.2
85.07138	0.2
87.05634	0.2
91.01875	0.2
96.79970	0.1
96.96005	0.3
99.04507	0.2
101.02449	0.2
137.31430	0.1
146.08232	2.3
155.04942	0.2
156.05798	0.2
158.03745	0.1
164.03516	0.8
167.04977	0.4
168.05791	0.2
170.03712	0.3
172.05290	0.5
173.06064	0.5
180.05788	0.1
182.03717	3.1
183.04459	1.5
184.05252	1.0
195.04468	1.6
196.05286	5.4
197.06047	4.2
198.03220	1.5
199.03970	0.8
200.04932	0.2
208.05266	0.3
210.02892	0.2
211.03983	5.9
212.04776	11.5
213.05333	0.6
217.11874	0.4
222.03252	0.2
223.03995	3.4
224.04770	8.9
225.05345	0.4
227.03508	0.6
227.07248	0.2
238.06361	0.3
239.03473	6.2
239.07118	5.8
240.04260	29.1
241.04967	3.9
242.05681	0.5
250.02676	0.2
251.03596	0.3
252.04256	4.5
253.05011	0.5
255.06602	2.8
257.08176	3.9
267.02951	7.4
268.03757	15.2
269.04132	0.6
277.12210	1.7
283.06094	100.0
284.06424	3.2
300.08676	1.3
301.07135	7.5
302.07248	0.3
353.11536	0.2
360.09143	1.6
399.18231	0.3
414.10159	0.2
431.12814	1.4
561.19244	1.9
561.25537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.3
61.98829	10.2
63.66461	0.5
69.03457	0.9
69.42530	1.8
71.01386	4.5
73.02943	11.7
83.01379	2.6
84.02191	0.6
85.02943	1.6
89.02423	1.3
92.02663	0.5
93.03456	1.7
97.02993	0.4
99.08276	0.4
101.02444	8.9
108.01551	0.4
108.02151	2.2
109.02920	0.6
113.02428	2.9
116.92882	0.6
119.03496	1.1
121.02948	6.2
122.03725	3.7
123.04533	1.1
131.03494	0.8
131.48843	0.4
133.02998	0.6
134.03719	1.2
135.04546	0.9
136.01659	77.7
137.02544	2.2
143.03551	0.8
149.02454	0.8
149.04555	1.1
149.05997	0.5
151.04001	100.0
152.04376	1.4
153.33885	0.4
155.03543	0.7
159.04500	1.5
160.05237	1.5
161.02449	1.1
161.04575	2.4
162.03215	1.5
163.03999	1.6
164.04854	0.8
165.05525	0.4
173.04475	0.4
175.03925	0.6
175.07578	1.6
177.05565	0.7
179.03540	0.9
185.82910	0.4
188.04854	0.5
191.05589	1.9
203.07153	1.2
221.06569	0.5
225.07767	2.6
279.06641	0.6
309.11310	1.9
311.12915	0.9
339.12170	2.0
342.11108	5.4
357.13419	96.0
358.13797	3.7
394.52066	0.5
399.12912	1.7
501.17447	0.6
543.18677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.5
60.74196	0.8
61.98814	0.7
69.55612	0.7
70.72703	0.8
71.01376	13.0
73.02927	2.8
83.01380	1.2
85.02966	4.2
87.00864	0.8
89.02426	2.3
93.03457	1.3
96.96002	0.9
101.02452	7.2
108.02177	1.2
113.02458	4.5
121.02953	37.8
122.03764	3.7
133.02869	1.2
134.03712	0.7
143.03477	1.7
150.03220	5.5
159.02969	2.1
159.08162	1.1
161.04558	31.2
161.06021	2.7
162.05067	0.9
175.07655	1.7
176.08417	94.8
177.09201	47.1
177.10809	1.1
189.09276	1.2
191.05518	1.2
191.07185	1.1
191.10725	1.0
201.09227	0.9
219.10251	6.6
231.10292	2.0
270.07434	2.5
339.14453	100.0
340.14722	2.5
341.10889	1.2
439.10831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98829	100.0
71.01395	0.6
71.96085	0.2
73.02932	0.3
78.95921	0.3
84.98785	0.2
85.02965	0.3
89.02472	0.4
96.96008	5.4
96.96980	0.6
101.02449	0.4
113.02499	0.4
130.08704	0.2
133.02988	1.3
134.03687	0.3
150.03313	0.3
154.16853	0.2
173.04575	0.6
177.01938	1.1
191.05685	0.7
251.04814	0.2
299.59363	0.4
348.51886	0.2
363.20160	1.2
409.46518	0.3
561.30963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2374
Annotation	(+)-Cocsuline
Peak:m/z	Relative Intensity
52.16777	0.4
59.01398	0.5
70.01049	0.8
76.21910	0.3
79.95760	1.1
80.01122	0.4
87.09193	0.4
93.03472	0.7
95.95304	0.4
96.96010	33.5
98.21893	0.4
116.07151	0.3
137.02428	0.6
139.34753	0.3
147.55544	0.3
188.19110	0.4
191.05664	0.6
251.12819	0.4
281.73227	0.4
301.21686	0.7
319.22797	0.8
399.18439	86.2
400.18774	2.6
561.23718	100.0
562.24176	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	561.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73180	0.4
55.01872	1.2
57.03439	1.1
58.00592	1.3
59.01377	100.0
59.95689	0.3
60.01699	0.4
61.98835	2.7
62.67786	0.3
69.03452	0.6
70.42234	0.7
70.42577	0.4
71.01378	51.8
72.99303	1.4
73.02944	3.9
83.01384	3.4
85.02946	11.7
87.00880	3.1
87.04514	0.4
88.98782	0.9
89.02441	62.9
93.03445	1.9
95.01389	3.0
96.96013	0.4
99.00872	1.0
101.02438	34.4
103.00347	0.5
111.00902	0.5
111.93554	0.4
113.02446	24.2
115.04117	0.5
119.03500	31.8
125.02480	0.9
129.01962	0.5
131.03502	3.6
135.00830	0.5
135.04506	0.7
137.02420	0.6
137.76578	0.4
139.04012	1.8
141.37878	0.3
143.03500	4.9
146.03767	0.6
149.04530	2.4
151.00377	0.8
153.01886	0.3
159.04361	0.5
161.02419	0.4
161.04568	7.2
161.05907	0.5
163.00334	0.4
173.04565	2.0
173.05853	0.4
179.05592	13.2
179.10796	0.3
185.11082	0.4
187.11179	0.8
188.11443	0.5
189.05635	0.6
191.05609	4.6
205.05035	1.4
205.12331	0.8
207.06624	0.7
211.03923	0.7
227.03488	5.1
229.05017	2.1
237.07703	1.5
238.08147	0.4
255.02951	9.7
255.05630	0.6
256.03641	1.0
257.04544	1.5
268.65726	0.3
284.03256	18.1
285.04037	22.0
286.04315	1.0
311.09796	0.9
357.09662	0.7
357.13861	0.4
369.13455	0.8
399.23856	1.6
447.09290	25.1
448.09720	1.2
505.16919	0.4
514.24567	0.7
561.12390	0.8
561.21887	3.5
561.29260	26.5
562.29504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2913
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
50.14195	0.4
51.26500	0.4
54.32971	0.3
55.01876	1.6
57.03446	2.4
58.00595	1.2
59.01378	100.0
60.01709	0.9
61.98821	2.1
67.01888	0.5
69.03450	0.3
69.16119	0.7
69.16521	1.8
71.01381	57.4
71.05002	0.5
72.57494	0.4
72.99323	1.8
73.02945	6.4
75.00864	0.6
81.03469	0.4
83.01385	4.1
84.02174	0.5
84.07255	0.4
85.02950	14.4
87.00871	3.1
89.02443	58.4
93.03459	2.8
95.01388	4.1
95.05000	0.4
97.02948	0.4
98.21938	0.8
99.00881	1.7
101.02443	34.5
109.02924	0.4
111.00896	1.3
111.04524	0.4
113.02448	23.0
115.03992	0.5
118.98039	0.4
119.03503	26.6
120.03898	0.4
125.02472	1.2
129.01978	1.8
131.03522	3.3
135.04532	1.6
139.04012	3.8
143.03494	4.9
149.04587	1.9
159.02966	1.4
161.04550	7.5
161.05841	0.5
173.04578	2.9
179.03523	0.9
179.05609	12.0
189.05566	0.6
191.05605	5.7
193.85718	0.4
205.12459	0.4
227.07076	0.8
245.08163	0.4
284.03146	0.6
285.04315	0.4
369.13275	0.7
387.14282	0.7
399.23865	7.2
447.09271	0.5
447.22235	1.6
501.30658	3.7
519.31677	1.2
561.29120	48.6
562.29352	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17467	0.9
58.29499	0.8
59.01377	33.0
61.98818	1.1
65.13184	0.9
69.28629	3.1
69.29034	2.1
71.01377	11.5
73.02957	9.0
75.00891	0.8
83.01390	2.1
85.02955	4.1
85.68005	0.9
87.00889	2.0
89.02435	5.3
92.94433	0.9
95.01402	1.6
98.22705	1.8
101.02454	9.9
110.25105	1.0
110.61081	1.0
113.02433	5.1
115.28898	0.9
119.03502	1.7
142.74461	1.0
191.05669	1.0
197.79614	0.9
228.58853	1.2
295.22763	11.0
297.24316	4.1
313.23825	8.1
457.28040	7.3
475.29132	15.0
476.29733	1.1
517.30139	100.0
518.30438	3.1
561.31921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.24792	1.8
80.95517	0.3
112.08337	0.4
165.21336	0.4
242.33272	0.3
361.98260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71213	0.4
55.01862	2.0
57.03439	3.0
58.00621	0.7
59.01377	100.0
60.01691	0.7
61.98829	1.4
67.01893	0.8
69.03451	0.9
69.14992	2.6
71.01379	29.2
71.05029	1.2
72.99303	0.6
73.02943	8.8
79.91213	0.3
81.03478	0.7
83.01388	6.1
83.05030	1.4
85.02948	15.7
85.06605	0.6
86.00115	0.8
87.00877	2.8
87.04514	0.9
89.02441	12.9
93.03472	1.6
93.07088	4.2
95.01382	3.1
95.05006	2.0
97.02431	0.4
97.02944	2.5
97.06600	1.1
99.00876	3.5
101.02439	20.7
106.14725	0.4
109.06594	2.6
111.00902	1.5
111.08163	0.8
112.01676	0.6
113.02448	16.6
113.09679	0.5
115.04024	0.8
118.98086	0.4
119.03497	5.4
119.08668	0.4
123.08134	0.5
124.01663	0.8
125.02481	2.0
125.05962	0.4
127.07690	0.7
129.01932	0.6
131.03516	0.6
135.04500	0.5
137.02475	0.4
137.09720	2.1
139.04002	13.7
139.07692	0.7
143.03505	3.8
151.11302	0.7
153.09232	1.6
155.14468	0.5
159.03043	1.1
161.04549	5.8
165.12866	1.0
169.12338	0.5
171.10292	0.9
173.04506	2.3
174.30008	0.4
179.05647	2.2
181.12286	0.8
183.13976	1.1
185.15521	1.5
191.05612	4.4
193.05031	0.4
197.11841	4.3
199.13373	0.5
199.17001	1.0
201.15053	1.0
209.11896	2.7
209.15425	1.0
211.13416	3.4
216.50613	0.4
227.12991	0.9
227.16528	6.7
229.18076	3.9
246.08861	0.4
253.09277	5.2
267.88754	0.4
279.23065	0.8
280.84583	0.5
289.18164	1.0
297.24255	0.5
303.23117	0.5
307.19144	2.6
321.24451	0.5
325.20187	10.9
339.25375	2.4
343.15335	0.5
345.19241	1.1
357.26465	3.0
371.20712	10.3
372.21481	1.0
373.22330	2.8
387.14502	0.6
389.21826	11.8
390.22659	2.0
391.23389	1.9
422.21664	1.3
423.27582	0.8
429.24976	1.1
434.31531	0.4
441.28696	1.3
447.26929	0.5
453.28561	1.2
465.28784	1.7
471.29587	1.1
483.29477	2.9
501.30685	71.6
502.31088	2.9
519.31708	21.4
520.32166	1.3
543.29468	0.4
561.19598	1.0
561.29688	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	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
57.03447	2.9
58.00603	0.7
59.01377	100.0
60.01713	0.3
61.98850	0.3
68.99805	0.3
69.03464	1.5
71.01380	29.2
71.05019	1.0
72.02161	0.3
72.99321	0.7
73.02943	8.9
75.00875	0.5
78.81676	0.3
80.65762	0.3
81.03461	0.8
83.01385	6.1
83.05031	0.8
85.02946	16.5
85.06609	1.0
86.00089	1.9
87.00882	3.7
87.04511	0.4
89.02439	5.3
93.03477	0.5
93.07097	5.8
95.01395	3.2
95.05037	0.4
97.02960	2.1
97.06596	0.8
99.00878	3.6
99.04495	0.3
101.02438	19.9
107.05044	0.4
109.06610	1.0
111.00880	2.5
111.08222	0.6
112.01689	1.4
113.02448	14.4
115.04027	0.5
119.03514	1.8
119.08638	0.4
121.06615	0.7
123.08102	0.3
124.01682	1.7
125.02437	2.7
127.07632	0.4
128.15770	0.3
129.01950	1.0
131.03587	0.3
135.08144	0.4
137.09718	3.1
139.04034	1.0
139.07617	0.7
141.01930	0.6
141.34860	0.2
143.03499	3.0
143.61928	0.2
149.09659	0.2
153.09201	0.6
155.14383	0.6
159.02979	1.9
161.04549	4.3
165.12862	1.3
173.04575	0.3
179.05554	0.5
179.60541	0.3
183.13922	1.2
185.15471	2.2
191.05571	0.7
199.17062	1.3
200.14113	0.3
201.15013	0.8
209.15489	0.7
211.17035	0.5
227.16510	7.2
228.17081	0.3
229.18047	3.8
239.65977	0.3
249.18517	0.3
277.21600	0.3
279.23288	0.5
303.23389	0.5
309.24252	0.3
321.24323	0.3
325.20154	0.6
339.25479	1.9
341.19287	0.3
343.21246	0.3
345.19110	0.9
357.26447	4.1
362.19669	0.6
363.20145	0.6
371.20670	6.7
372.21365	2.4
373.22333	2.7
389.21771	15.3
390.22504	3.8
391.23398	3.6
405.25238	0.4
411.23709	0.4
417.30734	0.3
422.21518	3.4
423.27316	0.4
429.24661	1.5
441.28424	2.2
447.27240	0.5
453.28311	1.9
456.17844	0.3
457.27988	0.4
465.28580	2.2
471.29822	1.6
483.29587	4.0
501.30682	96.0
502.31015	5.4
519.31702	39.4
520.32104	1.9
543.31458	0.9
561.33026	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	561.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63645	1.4
52.34136	1.3
57.30143	1.4
57.34405	1.3
61.98828	3.8
65.11292	1.4
66.92477	1.3
71.12002	1.9
78.95912	6.8
88.21562	1.4
91.72600	1.1
93.28922	1.4
132.04085	1.4
150.67366	1.5
152.99593	4.6
242.07893	3.1
245.11694	1.5
269.41086	1.4
279.23279	100.0
473.35742	1.6
476.26758	1.6
504.30890	42.2
505.31036	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	561.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.0
61.98822	6.9
65.45483	3.0
71.41187	4.3
78.95905	27.6
96.96001	4.2
97.91940	3.5
102.75629	3.1
146.89909	3.3
199.06723	3.4
224.07014	8.6
265.21759	5.7
279.23309	100.0
504.30911	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83323	0.1
59.01382	0.2
61.17782	0.1
61.98830	100.0
68.68441	0.1
69.10269	0.1
69.10568	0.7
79.17069	0.1
80.94968	0.1
98.21839	0.2
101.02451	0.1
106.04267	0.4
154.95389	0.1
157.63000	0.1
161.09711	0.8
205.08693	2.5
239.40736	0.1
309.72061	0.1
320.32114	0.1
359.52197	0.1
430.86020	0.1
499.18411	0.4
503.15002	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	562.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.5
61.96078	4.4
61.98843	8.1
69.45454	23.2
71.01377	44.0
71.42514	5.9
73.02940	12.4
83.01394	7.6
85.02959	20.8
87.00867	5.3
89.02443	10.3
93.03418	5.5
96.96006	49.2
99.00895	4.3
101.02464	26.7
101.83240	5.9
106.21497	5.2
110.58868	4.8
113.02446	15.6
125.02439	20.6
128.03542	5.8
144.87305	5.3
161.04472	10.7
191.05576	20.2
264.35425	4.7
281.08289	6.7
287.05649	15.6
294.16742	5.5
297.07852	6.6
309.07706	18.9
312.10205	6.6
324.09946	10.0
327.12399	37.5
339.12445	35.9
502.17972	6.0
561.29291	21.2
562.29431	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	562.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.9
61.98827	99.5
69.39130	6.5
71.01378	5.8
85.02917	3.9
89.02438	10.6
93.73878	1.9
98.21859	4.4
101.02422	6.2
113.02440	3.4
119.03506	4.5
119.38309	2.2
119.92872	2.0
121.02992	3.7
122.03722	2.7
136.01659	43.9
151.04004	78.1
161.04488	3.1
170.18611	2.3
171.69814	1.9
175.07607	3.0
179.05571	4.6
205.08484	3.5
221.82732	2.1
235.26118	2.0
289.05341	2.4
329.13782	3.4
339.12476	2.4
342.11044	3.6
357.13406	100.0
358.13586	3.6
501.17810	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	562.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	0.3
59.01379	5.8
61.98828	100.0
69.03467	0.9
69.32048	0.9
71.01380	5.5
73.02950	1.4
83.01384	0.5
85.02949	1.7
87.00861	0.2
87.16413	0.2
89.02446	3.7
95.01403	0.4
96.96061	0.2
97.02978	0.3
98.21893	0.4
99.00908	0.8
101.02429	3.3
109.02965	0.2
111.04516	0.2
113.02444	4.0
119.03493	1.0
125.06058	0.4
128.88867	0.2
129.01976	0.3
131.03487	0.4
138.06836	1.0
139.07626	0.5
143.03510	0.5
149.04556	1.2
150.04836	0.2
151.06604	0.3
151.07626	1.2
152.08417	1.8
153.09209	6.2
153.72955	0.2
159.03029	0.4
161.04553	2.7
173.04578	0.6
179.05640	0.5
191.05612	1.6
205.12369	2.6
223.13391	3.2
261.63138	0.2
371.20712	0.4
385.18665	22.0
386.19205	0.8
499.21790	2.7
503.24780	1.2
515.24292	0.3
562.29034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1041
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.01783	2.0
52.40178	1.6
54.81247	1.9
57.03455	2.2
59.01380	23.8
61.98829	42.1
66.92095	2.0
69.20334	9.9
71.01399	11.2
73.02982	2.7
81.53561	1.9
85.02964	9.2
87.00875	7.2
89.02452	7.0
93.03456	13.5
101.02431	7.4
103.00377	3.2
111.04527	5.6
113.02467	3.9
137.02446	2.1
139.03984	2.2
161.04604	3.3
173.04556	19.7
183.04472	2.8
183.39178	2.0
191.05624	42.4
199.03973	5.9
227.03535	6.0
228.07997	2.5
243.02994	16.5
255.03008	19.7
257.11743	2.5
271.02487	38.7
283.13336	5.7
299.01947	60.8
300.02740	29.3
301.14462	3.4
311.13028	3.7
314.04324	43.7
315.05072	100.0
316.05325	3.1
327.15979	8.1
345.17017	6.5
353.14056	2.6
368.40894	2.1
371.15005	12.6
386.18887	3.6
389.16190	5.7
449.19791	3.4
463.08844	3.0
519.11371	44.1
531.21692	2.4
545.20728	3.5
562.30194	2.5
563.22662	10.6
563.30035	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.2
58.95163	1.2
59.01359	4.2
61.98540	1.6
61.98827	19.8
63.02391	1.5
65.00317	3.1
69.34983	5.7
71.01384	1.9
77.02904	1.3
81.03452	1.6
83.01377	7.2
88.17371	1.1
89.02451	1.2
93.03452	4.2
96.96011	9.9
98.21891	2.2
107.01376	5.3
107.04967	2.0
109.02930	2.2
113.02420	2.3
117.03453	2.5
125.02445	56.9
133.02953	2.2
146.06088	3.4
149.02408	5.9
151.00365	24.5
152.01167	6.3
153.01904	5.3
163.00414	2.5
169.06537	1.8
172.05255	1.4
173.04602	1.6
173.06007	5.6
175.03925	1.6
176.01132	4.1
177.05553	3.3
178.99826	12.3
179.03479	2.8
182.03773	1.2
188.04950	1.2
191.05566	3.0
197.06064	2.6
199.07512	1.3
201.05516	3.6
213.05550	1.3
215.07150	6.5
225.05534	4.2
241.05089	5.9
243.06573	5.4
259.06088	91.5
269.04535	100.0
270.04849	3.1
283.06018	1.5
287.05600	29.8
311.05206	1.7
315.21484	1.1
352.09961	1.2
390.05246	1.8
406.02426	1.3
421.11194	2.8
431.09720	8.7
449.10855	56.4
497.27322	1.4
504.08252	1.8
563.13922	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.3
59.01371	4.0
59.23132	0.6
60.99324	0.7
61.98837	2.4
63.02393	0.9
63.67532	0.7
65.00316	3.3
67.01889	1.1
69.66737	1.3
69.67135	1.6
71.01394	2.2
73.02955	1.3
77.73831	0.7
79.93278	0.9
81.03469	2.1
83.01386	5.5
85.02942	1.1
85.91084	0.6
87.00900	1.8
93.03448	11.7
94.46506	0.6
96.96025	0.8
97.89754	0.8
98.21922	1.5
101.02434	0.7
107.01391	5.5
107.05030	1.6
109.02978	1.3
111.04542	1.0
113.02486	2.9
117.03490	1.4
124.01671	1.2
125.02436	54.8
129.99748	0.9
130.08771	0.9
131.05064	1.1
133.02982	1.7
135.04539	2.7
137.02473	1.3
149.02431	5.4
151.00360	25.5
151.01538	1.5
152.01112	5.2
153.01938	7.0
158.03648	0.9
159.04387	1.3
163.00406	1.9
165.01860	1.4
169.06548	1.0
171.04539	0.8
172.05286	2.3
173.04546	4.3
173.06093	4.5
176.01123	3.8
177.05569	2.1
178.99850	12.5
179.03477	2.7
180.00577	0.9
181.06628	2.0
183.04553	0.6
185.05960	0.8
191.05602	10.1
196.05318	0.7
197.06075	2.8
199.04034	2.1
201.05592	3.9
213.05498	1.6
215.07068	5.8
225.05518	4.3
241.05022	5.3
243.06586	5.2
259.06082	87.8
260.06412	1.6
268.03687	1.3
269.04514	100.0
270.04846	1.3
283.05960	1.0
287.05594	30.9
288.05927	1.1
298.18576	0.7
311.05521	1.3
342.05893	1.0
369.24203	0.7
371.11307	2.2
383.11301	2.0
421.11142	1.6
431.09769	8.4
449.10843	57.0
450.11118	2.0
519.19830	2.4
542.03314	0.8
563.13843	58.0
563.27563	2.1
564.14014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01382	4.8
61.98835	3.4
63.86866	0.8
67.01889	1.2
69.62135	3.1
71.01379	2.8
76.96207	0.7
80.18983	0.6
83.01377	1.0
85.02948	2.0
86.58019	0.8
87.00863	2.1
89.02449	1.8
93.03462	6.6
96.95978	1.2
101.02448	1.4
111.04520	1.0
113.02482	0.8
125.02461	3.6
128.43385	0.7
132.02078	0.8
134.03714	0.8
135.04526	1.7
137.02472	1.1
151.04021	1.9
160.01663	0.8
173.04564	2.7
178.02693	0.9
178.99948	0.7
182.07379	0.8
187.11411	0.7
191.05612	11.8
193.05054	1.7
210.06812	1.6
210.59087	0.7
221.06126	0.9
226.06320	1.7
235.07555	0.8
236.05008	0.8
237.05608	1.3
238.06447	4.4
249.05620	1.2
250.06219	4.3
251.07034	1.8
253.05057	1.1
253.08711	2.8
254.05858	3.4
259.06122	3.3
261.05447	0.8
263.07278	0.8
265.05148	1.9
266.05777	1.8
267.02930	2.8
267.06519	1.1
269.04504	4.5
269.08154	2.4
277.04984	1.5
278.05933	3.5
279.06601	5.0
280.07166	0.8
281.04471	2.1
282.05334	9.1
287.05524	1.2
293.04773	0.7
293.08188	2.5
294.05411	6.4
294.08704	1.2
295.06085	1.0
296.06848	1.1
296.32788	0.7
297.04300	0.9
297.07629	13.4
297.10818	1.0
298.04892	0.8
298.08173	0.9
308.06851	1.4
309.04312	1.1
309.07553	5.5
310.04797	2.1
310.08289	0.7
311.09204	1.1
312.09985	7.3
321.04129	1.5
322.04816	7.3
323.05609	4.7
324.06461	5.2
325.07156	1.5
326.04291	1.8
327.12445	3.4
335.05676	1.0
336.06348	4.2
337.07144	29.1
338.04141	2.4
338.07956	5.9
339.08728	6.2
341.06586	9.0
351.08734	3.0
352.09546	12.0
353.06525	24.2
354.07114	0.9
355.08185	0.9
356.08929	13.6
356.12927	1.3
368.09036	7.4
371.11337	55.8
372.11636	2.3
383.11353	100.0
384.11722	2.7
449.10471	1.2
519.19714	3.1
533.65271	1.0
562.80377	0.9
563.25348	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	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03445	3.7
58.00605	0.8
59.01378	100.0
60.01709	1.3
61.98829	9.0
67.00048	0.7
67.01884	3.8
68.99821	0.8
69.03464	2.0
71.01378	37.1
71.26764	0.7
72.99310	2.9
73.02940	6.1
81.03455	1.2
82.95439	0.7
83.01374	4.1
83.05039	1.7
85.02945	16.6
86.09887	0.7
87.00877	8.9
88.98846	0.8
89.02447	19.8
91.07695	0.6
93.03453	19.0
95.01406	3.3
97.02998	1.7
97.06598	2.1
99.00904	2.8
101.02438	19.6
107.05038	1.3
108.02196	0.9
109.02951	1.8
111.00870	1.0
111.04522	5.3
111.08149	1.2
113.02448	16.2
115.04023	2.2
116.92905	0.8
119.03500	8.1
119.04980	1.0
119.41195	0.7
123.08173	1.9
124.01719	0.8
126.52732	0.6
127.03989	1.6
129.01933	0.8
131.03470	0.7
134.03729	0.7
135.04524	1.2
137.02477	2.9
137.05995	0.7
137.09805	1.0
139.04047	1.8
143.03516	2.4
146.03766	0.8
147.04549	2.5
153.05495	0.7
155.03528	3.2
158.03793	1.0
159.04439	1.2
160.01697	1.7
161.04587	3.8
161.06001	1.5
167.14511	0.7
171.10263	7.9
172.05313	1.2
173.04559	36.9
173.06004	2.5
174.03258	0.9
174.06842	0.8
175.03987	4.7
175.07745	1.2
177.02028	0.9
179.05666	0.9
183.13933	1.8
186.06885	1.2
187.04031	1.7
187.07668	2.2
187.13403	1.0
189.05641	1.9
191.05606	67.2
192.06085	1.2
193.05177	1.0
193.12424	0.7
200.04837	1.6
201.05684	2.7
201.09270	1.3
203.03482	9.8
203.07188	2.6
204.04076	1.1
204.07936	2.5
205.08719	1.7
211.07748	2.0
211.13373	8.0
214.06355	2.2
215.07196	3.1
217.08675	1.7
218.05817	9.4
219.06538	1.0
221.11911	0.9
225.09215	1.6
226.10045	2.0
227.10840	1.3
228.07912	0.9
229.08664	4.3
229.12553	0.8
229.14323	3.9
230.09453	2.0
232.07501	2.5
233.08240	17.8
235.06187	0.8
239.10776	1.1
247.09549	1.4
248.10652	0.8
253.09291	14.1
254.09575	1.7
255.10550	0.9
255.13957	5.0
283.13385	5.7
291.19705	2.1
299.16602	3.1
301.14551	3.1
309.14853	1.7
309.20901	0.7
311.12860	2.2
327.16086	7.7
327.21753	43.1
329.14114	0.8
341.27136	0.7
345.17056	8.3
353.06577	1.1
353.13910	4.8
359.27957	5.3
368.09070	0.9
371.14969	7.2
383.11325	3.3
389.16110	11.2
394.12476	0.8
426.51706	0.7
503.32257	44.7
504.33380	0.8
520.32544	0.9
521.33331	15.5
521.40784	0.9
545.20453	4.6
545.33844	1.0
563.18390	38.3
563.31537	8.0
564.18573	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	563.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60181	2.9
59.01378	70.3
62.27784	3.3
69.35450	14.5
71.01376	46.3
83.01384	4.7
85.02949	13.7
89.02445	60.9
90.87397	2.7
101.02429	24.5
113.02453	24.0
119.03466	14.4
133.01442	3.4
143.03499	4.9
161.04541	7.9
171.16324	3.3
179.05618	19.8
185.35735	3.1
323.09787	13.9
343.68439	3.5
503.16141	100.0
522.99933	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01379	25.8
60.99299	2.0
61.01799	0.8
61.98820	8.7
62.56360	0.7
67.01885	4.9
68.97143	0.8
69.03442	1.6
71.01380	13.6
72.99306	2.2
73.02943	3.8
81.03461	1.9
83.01390	1.1
83.05064	1.1
85.02946	12.7
87.00864	13.5
89.02451	5.7
93.03458	28.6
95.01350	1.0
95.05003	1.1
96.96012	1.2
97.02956	1.3
99.00876	2.1
101.02438	5.1
107.05033	0.9
109.02946	1.8
109.53893	0.8
111.04511	6.1
111.08139	1.0
113.02454	7.0
115.79132	1.0
116.92878	0.9
119.03506	1.2
124.82676	0.8
127.04036	2.9
129.01935	2.2
133.03029	0.8
134.03720	1.0
135.04506	1.6
137.02449	2.2
138.32059	0.7
139.04031	10.7
143.81187	0.8
146.03670	0.9
147.04501	1.0
149.74313	0.9
155.03484	4.2
159.04562	1.8
161.06143	0.9
167.03581	1.0
172.05319	1.4
173.04553	50.8
175.04016	1.5
175.07596	1.5
181.05116	1.1
186.06825	2.4
187.07671	1.3
189.05487	1.0
191.05602	100.0
192.05971	1.6
200.04750	1.4
201.05542	2.4
201.09261	1.2
203.07166	2.0
204.07864	1.8
205.08719	1.3
211.07619	2.3
212.08408	0.9
214.06308	2.0
215.07108	2.8
216.07826	1.1
217.08684	1.3
225.09254	1.9
226.10002	1.9
228.07820	1.3
229.08627	1.9
230.09557	1.4
232.07372	1.5
233.06331	1.4
233.08281	2.3
239.10756	1.2
247.09622	1.1
253.08786	1.1
254.09468	2.7
255.13913	4.3
257.11829	2.6
259.15399	0.8
273.14813	1.3
283.13376	7.1
298.12085	0.9
299.16498	2.0
301.14465	4.6
309.15033	1.4
311.12933	5.6
327.12421	1.8
327.15942	10.1
329.13568	1.1
345.17035	9.9
353.13907	13.9
363.20709	0.8
371.14938	13.3
383.09811	0.8
389.16098	9.7
417.14987	1.1
449.23975	2.9
503.32370	2.0
521.32947	1.2
545.20428	7.2
563.21265	21.0
563.30035	7.8
564.22504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60390	1.0
51.67654	0.9
52.64732	0.9
55.01851	1.2
57.03447	5.5
59.01377	51.4
60.99303	1.5
61.98816	4.0
67.01877	4.0
69.03419	2.4
69.17409	2.5
69.17818	3.8
71.01379	20.3
72.99308	5.2
73.02940	7.8
81.03448	2.7
81.96754	0.9
83.01404	6.1
83.05010	4.2
85.02946	15.6
87.00874	15.8
89.02442	4.9
93.03457	25.9
95.01371	1.7
95.05032	2.4
97.02949	1.6
97.06583	4.0
98.22617	1.9
99.00886	2.4
101.02441	14.7
106.04248	4.7
107.05028	79.0
109.02950	2.4
111.04525	4.7
113.02450	12.2
113.06059	1.3
116.23175	0.9
119.03494	2.6
120.05774	5.3
121.06580	2.0
123.04523	1.3
125.02438	2.0
125.06039	1.3
125.97755	0.9
127.04028	2.3
129.01898	1.4
133.06560	1.3
135.04497	4.7
135.11829	1.1
137.02350	2.3
137.06116	1.1
139.04021	8.8
147.04517	1.6
147.08202	0.9
151.04002	20.3
155.03508	3.0
157.06602	1.4
158.03688	1.2
159.02997	1.9
159.04497	1.6
159.08133	1.3
161.04558	6.3
161.09731	12.2
161.13361	9.8
163.07643	1.7
163.11198	2.2
171.10161	1.9
173.04553	41.8
173.05992	2.2
174.06871	1.3
175.03999	2.3
175.07634	3.1
179.05717	1.3
179.10783	3.5
180.14722	1.0
186.06837	2.9
187.07632	3.1
187.11287	19.8
189.05656	1.1
189.09213	14.3
191.05608	67.4
201.05502	2.4
201.09218	2.6
203.07130	4.6
203.10861	2.2
204.07916	2.0
205.12308	10.1
207.10274	2.8
211.13329	2.4
214.06349	2.9
215.07115	3.0
223.13480	2.1
224.04956	1.5
229.08649	3.8
230.09464	3.3
231.10204	3.0
232.07434	3.2
247.09714	3.4
249.11366	10.5
253.09172	4.1
255.13852	2.6
267.12427	3.9
271.13443	1.2
271.17032	2.3
273.11520	1.3
273.14667	1.2
283.13474	3.1
297.14847	1.7
301.14383	2.4
309.15173	1.8
313.18008	1.3
315.15961	1.4
327.16043	4.9
327.21765	9.1
334.85443	1.1
345.16980	5.7
353.13956	5.1
357.17285	1.2
359.27979	1.1
371.14993	6.9
379.19138	1.6
389.16025	15.5
389.20938	1.4
411.16525	4.4
449.27859	2.3
503.32303	13.1
519.22290	7.1
521.32831	4.8
545.20221	7.3
563.21332	100.0
564.22321	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	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03442	2.0
58.00604	0.9
59.01373	100.0
61.98819	3.9
67.01887	0.6
67.79224	0.5
69.03457	2.2
69.32859	1.1
69.33277	2.0
71.01376	40.3
71.22955	0.5
72.99310	1.5
73.02940	63.1
75.00881	0.9
76.40881	0.5
81.03429	0.7
83.01382	16.7
85.02940	11.0
87.00892	2.0
89.02431	15.9
93.03470	1.7
95.01366	3.7
96.96017	1.3
97.02937	1.1
98.18551	0.5
99.00870	1.0
101.02436	51.9
108.02139	1.2
109.02963	2.6
113.02442	26.9
119.03491	7.4
121.02932	3.4
122.03767	2.4
123.04526	3.6
125.02451	2.2
128.90169	0.6
131.03499	4.4
136.05325	0.8
137.02396	1.0
143.03473	4.3
149.04541	6.3
155.03470	1.3
158.03767	0.8
159.04495	3.3
160.04039	1.0
160.05278	8.6
161.04572	14.5
161.06046	2.6
163.00406	1.1
171.04546	1.4
172.05298	4.8
173.06015	3.5
174.06850	1.0
175.04024	1.1
175.07640	3.4
178.06386	1.1
179.05634	2.4
187.07700	2.0
189.05563	10.4
190.06337	10.9
191.05557	3.9
203.05585	1.1
203.07233	0.8
205.08679	11.3
221.06706	2.5
281.08182	2.7
287.15112	2.0
295.09833	0.7
296.10532	6.0
299.02066	1.9
300.02713	0.7
308.10654	0.7
309.12231	0.6
310.08563	0.7
311.09500	1.2
311.12863	9.1
314.04419	2.0
315.05148	2.0
326.11624	1.2
327.21652	0.6
329.14005	1.3
341.13889	51.0
342.14386	1.5
397.00281	0.6
503.19199	20.3
519.11469	1.7
521.20001	3.2
563.20911	0.9
563.28418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65303	0.7
55.01872	1.6
57.03451	4.6
59.01377	100.0
60.01708	0.9
60.99277	1.6
61.98816	4.8
67.01884	4.6
69.03436	2.2
69.28452	4.1
71.01380	31.8
71.05023	1.3
72.99311	7.8
73.02947	11.4
81.03457	1.4
82.95409	2.8
83.01396	5.2
83.05022	2.4
85.02946	23.5
86.00096	1.2
87.00876	17.4
87.04530	1.4
89.02438	8.3
93.03455	29.0
93.07086	2.3
94.03821	0.8
95.01365	2.2
95.05027	0.9
97.02942	2.4
97.06567	2.0
99.00886	2.6
99.04521	1.2
101.02440	18.9
101.03105	1.3
107.05040	7.4
108.02217	0.9
109.02932	1.6
111.00869	3.6
111.04533	7.6
111.08176	1.1
113.02447	14.2
115.04035	1.4
119.03502	2.8
123.04537	1.0
124.01585	1.0
125.02420	2.9
127.03986	2.2
129.01932	2.6
135.04546	1.3
137.02411	2.4
139.04013	3.8
143.03490	4.3
147.04532	1.9
147.08209	0.8
151.03967	3.7
155.03490	5.3
158.03667	1.2
159.02995	2.1
159.04477	1.8
161.04550	6.8
161.05795	1.0
161.09724	1.4
172.05281	1.0
173.04562	52.0
173.06020	5.3
174.03238	1.6
174.06830	2.4
175.03973	2.9
175.07686	3.5
177.05560	1.6
177.09157	1.1
177.17242	0.9
179.19441	0.9
185.15439	2.0
186.06830	4.4
187.07616	6.0
187.11252	2.3
187.13165	0.8
188.04738	0.9
189.05547	1.7
189.09254	1.7
191.05612	78.0
192.06020	1.4
199.07639	0.9
200.04797	1.1
200.08394	0.9
201.05563	3.5
201.09186	2.7
202.06552	0.8
203.07072	5.8
204.07922	2.6
205.08725	3.0
205.12349	2.1
211.07458	0.9
211.16891	1.0
214.06310	5.4
215.07103	4.6
217.08749	3.9
218.09492	2.4
226.10004	1.1
228.07874	1.0
229.08696	6.4
229.17993	7.2
230.09489	4.8
231.10103	1.2
232.07422	4.7
233.06323	1.2
233.08253	2.8
244.11021	1.3
247.09726	6.7
248.10558	4.0
255.13853	1.5
273.14890	1.0
274.08401	2.9
283.13403	2.4
291.08749	1.0
297.14963	0.9
299.16422	1.0
301.14420	3.4
309.14883	1.2
311.12866	1.6
327.15967	5.5
329.14185	1.0
341.26816	1.1
345.17004	6.5
347.20917	1.9
353.13998	3.4
359.15012	0.9
359.28003	5.6
371.14999	6.3
373.22253	5.0
389.16043	22.3
391.23315	9.4
394.12738	1.7
473.31589	1.2
485.31250	1.5
502.30893	0.9
503.32254	78.1
504.32474	2.0
520.31989	2.0
521.33301	22.4
545.20282	3.3
563.21362	34.3
563.35400	4.6
564.21716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78664	0.7
55.01863	0.8
57.03430	2.3
59.01378	38.2
60.99284	1.0
61.98827	16.5
69.03453	0.9
69.69579	2.3
71.01377	17.8
73.02949	2.9
77.52207	0.8
81.03470	1.0
82.38564	0.9
83.01389	1.4
83.05013	2.5
85.02952	6.8
87.00884	8.2
88.98798	7.8
89.02438	22.0
93.03435	6.0
95.01384	2.7
97.06586	0.9
99.00903	0.8
101.02438	14.0
107.05013	3.6
111.04520	1.8
113.02465	8.2
118.82189	0.8
119.03495	7.0
120.05787	2.5
131.03496	1.7
133.05049	1.2
135.04524	3.4
136.30356	0.8
139.04010	1.0
143.03474	2.2
149.04541	1.3
151.06128	9.6
155.03513	1.2
161.04561	2.8
161.09703	9.7
161.13330	3.0
163.11256	2.9
173.04556	12.1
179.05608	3.5
187.11281	8.7
189.09254	4.0
191.05597	26.5
192.05774	1.1
203.10855	1.8
205.12334	6.2
207.10307	4.5
213.09187	1.0
223.13380	1.3
225.09244	1.5
228.07829	1.0
239.10591	0.9
249.11276	6.0
254.09259	1.4
255.13866	0.8
267.12234	0.9
283.13434	3.4
295.10272	1.5
301.14352	1.8
309.15359	1.0
311.12784	2.0
313.11371	7.9
315.07071	1.1
327.15933	3.2
345.17078	3.5
353.14014	2.8
371.14890	5.5
387.20154	3.6
389.16000	2.2
437.99017	0.9
449.24081	1.0
503.24963	5.0
519.45105	0.9
545.21454	3.9
563.23297	100.0
564.23651	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	563.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98307	0.5
56.09290	0.6
57.03438	3.4
59.01379	37.1
60.99300	1.2
61.98833	6.6
66.01244	0.5
71.01381	19.2
72.99284	0.7
73.02943	3.1
75.75552	0.5
78.99139	0.5
83.01363	1.5
83.05025	2.6
84.93841	0.7
85.02949	5.1
87.00885	4.2
87.04525	0.6
88.98800	6.9
89.02443	19.8
93.03458	1.5
95.01366	1.1
95.05014	0.5
96.96011	2.7
97.06581	1.4
99.00858	0.8
99.92574	3.9
100.93356	4.8
101.01788	0.9
101.02441	13.8
107.05025	4.6
111.00899	0.7
111.04530	0.6
113.02445	7.5
115.04014	0.6
115.92102	4.8
116.92860	8.8
117.03472	0.7
119.03505	8.0
120.05824	2.4
131.03505	1.9
133.05048	0.8
135.04512	2.1
143.03456	1.8
143.08713	0.6
145.10205	0.7
149.04498	1.1
151.06104	9.8
157.06573	0.6
159.02901	0.6
159.11682	0.5
161.04593	1.7
161.09717	10.4
161.13350	3.6
163.11314	3.0
173.04555	2.0
179.05565	3.7
187.11276	9.6
189.09203	6.5
191.05614	6.4
203.10822	0.9
205.12361	5.1
207.10266	4.3
213.95760	0.9
223.13379	1.6
231.10112	0.6
249.11314	5.5
267.12302	0.7
269.04532	35.9
270.04840	0.9
295.10251	1.6
313.11417	10.4
327.12265	0.7
327.15982	1.1
327.64920	0.6
359.15030	0.6
371.11139	1.1
371.15225	0.7
383.11267	1.3
449.19446	1.2
449.24646	1.2
503.19666	1.5
521.20239	0.9
545.22205	1.9
563.14703	7.3
563.23340	100.0
564.15369	0.8
564.23505	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	563.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80343	0.9
53.59553	0.9
55.01860	1.7
56.11969	1.0
57.03436	1.0
58.00582	1.4
59.01378	100.0
59.59135	0.8
61.98835	5.8
69.75794	2.3
69.76165	2.3
71.01379	55.8
72.99285	1.0
73.02934	2.1
81.29265	0.9
81.34688	1.1
83.01369	2.1
85.02940	9.1
87.00857	3.7
88.98813	2.1
89.02444	76.1
93.03457	2.0
95.01398	3.3
96.95995	5.2
97.02948	1.5
99.00889	1.1
101.02441	27.3
106.57776	1.0
113.02454	23.2
115.04070	1.2
116.92852	2.1
119.03502	27.9
121.02896	1.3
122.38407	1.2
123.04518	2.4
125.02425	4.6
129.76828	0.9
131.03497	5.1
139.03998	1.3
143.03456	6.6
149.04544	3.2
161.04555	10.6
165.05595	1.7
167.03500	1.2
172.78653	1.0
173.04538	2.7
175.02440	1.2
179.05612	71.4
191.05583	5.4
222.15494	1.0
233.15450	9.7
245.15456	3.7
287.16440	1.9
353.06723	1.2
413.21765	13.4
425.21832	1.4
443.22739	1.4
467.22858	4.7
503.25095	5.1
527.30402	3.1
534.23010	1.2
563.13971	3.8
563.28137	3.3
564.24084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57822	1.0
55.01878	2.6
57.03434	2.4
59.01379	50.8
61.98830	36.1
69.03443	1.3
71.01385	41.2
71.04977	0.9
72.99301	1.0
73.02950	12.9
83.01392	4.3
84.34322	1.0
85.02956	13.7
87.00878	4.4
88.98763	1.5
89.02444	36.4
93.03464	4.0
95.01418	1.2
96.96001	5.2
97.02961	2.6
99.00874	7.7
101.02447	31.3
111.00881	4.4
113.02445	15.7
115.04067	1.6
119.03515	5.8
121.03016	1.0
125.02478	2.1
131.03508	12.3
137.02432	1.3
143.03513	3.1
149.04552	17.3
155.03537	1.2
159.03008	1.5
161.02434	1.5
161.04564	6.8
173.04536	7.5
179.05638	2.3
191.05595	18.2
209.15442	2.0
210.61935	1.0
233.06529	1.9
251.07738	2.2
283.13599	1.3
293.08655	1.7
301.14447	1.6
311.12900	1.9
327.16025	2.2
345.17017	1.4
371.14993	4.5
371.20694	11.9
389.16214	1.4
439.10123	1.0
449.23923	2.8
503.25009	100.0
504.25333	3.7
519.25214	1.5
560.58923	1.1
563.21008	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.6
73.98412	1.3
76.94374	1.3
78.95901	10.2
92.49220	1.3
93.70968	1.8
96.96023	2.3
98.59564	1.2
152.99640	8.2
171.00616	1.3
191.05701	2.1
210.34357	1.5
242.07872	1.8
245.04378	4.3
253.21716	2.3
281.24844	100.0
282.25067	2.3
481.25760	7.4
506.32523	47.8
563.34277	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	563.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.5
61.98822	14.4
66.37728	4.3
69.91209	8.4
69.91520	6.5
78.95904	56.7
152.99588	42.9
169.12572	5.5
171.00629	11.6
173.04552	5.8
191.05559	6.6
193.66733	4.7
224.06926	9.8
245.04265	38.0
253.09312	7.8
253.21738	18.9
267.23328	32.7
281.24847	100.0
296.20813	5.5
313.06003	5.1
347.69617	6.0
354.03943	5.0
481.25827	57.4
482.25806	5.6
506.32428	88.8
562.54590	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	563.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13768	0.8
59.01374	45.3
61.98824	6.1
63.79148	0.8
71.01406	0.9
71.44671	1.0
71.54350	0.7
78.95900	20.9
84.89971	0.7
89.02431	4.4
89.28165	0.8
91.04000	28.3
94.92529	1.6
96.96940	1.0
107.21620	0.7
152.99597	4.2
168.04318	3.2
179.66191	0.8
196.03773	0.9
214.60716	1.0
224.06940	7.8
242.08000	1.9
281.24835	100.0
282.25229	4.3
293.28479	19.5
337.27475	13.1
338.27835	0.9
355.28458	14.6
411.31165	15.9
429.32147	24.0
435.24899	1.1
478.29376	5.1
506.32492	82.5
507.32870	3.2
563.33002	2.8
582.49884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39381	0.3
59.01380	3.7
60.01733	0.3
61.98820	2.4
62.81223	0.3
69.18249	0.2
69.26178	1.2
71.01387	1.3
72.93959	0.3
73.02911	0.4
76.39870	0.3
78.95910	1.5
79.95738	2.2
83.01392	0.4
84.95080	0.3
85.02944	0.5
87.00885	0.3
89.02456	0.9
94.98086	0.3
96.96008	100.0
97.93143	0.4
98.22655	0.6
98.93910	0.4
101.02458	0.5
113.02444	0.9
113.49223	0.3
113.92617	0.3
114.93382	0.4
117.28690	0.3
117.69146	0.3
131.03590	0.4
138.62837	0.3
144.04549	1.0
146.06117	12.2
149.04449	0.3
186.99231	0.6
189.68074	0.3
190.05135	2.0
191.05600	0.7
197.08788	0.3
202.01857	3.8
215.99646	0.3
217.00644	0.4
217.05034	0.3
218.01312	0.7
220.02882	1.0
229.00354	0.7
233.00171	0.4
234.00783	1.5
244.02904	1.7
246.00844	3.7
247.98801	1.3
256.02905	1.1
262.03961	0.6
270.00989	0.3
270.04639	0.7
272.05988	0.4
274.04065	0.6
276.01944	0.4
288.01923	3.9
298.03976	0.7
300.01923	3.7
302.03442	0.6
314.03595	0.4
315.04211	0.4
316.05145	1.9
318.34161	0.3
342.02899	1.0
346.06070	1.8
352.10382	4.3
353.11017	0.5
360.04138	2.4
372.04068	0.5
390.05042	14.8
504.08252	12.7
504.15698	0.6
505.08444	0.6
563.27246	0.9
564.27026	2.2
565.19531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37377	0.2
59.01372	0.8
61.98828	100.0
69.03457	0.2
70.53797	0.2
71.01386	0.4
89.02428	0.3
100.47324	0.2
101.02474	0.5
103.99850	0.1
113.02448	1.9
161.04591	0.6
173.04532	0.2
179.05608	0.3
189.12903	0.4
201.97614	0.1
207.14006	0.4
225.15007	0.4
250.51749	0.2
277.10187	0.2
283.86011	0.1
387.20258	1.3
501.23608	0.7
555.12122	0.2
564.24133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39854	0.6
55.01881	0.7
57.03447	5.3
59.01375	27.1
61.98820	1.6
66.11612	0.5
69.03430	0.7
71.01376	18.3
71.40360	0.6
72.99310	0.5
73.02950	4.5
83.01386	2.3
85.02950	7.5
87.00878	3.8
89.02442	14.4
95.01367	1.6
96.04549	11.5
96.95972	1.2
98.23988	0.4
99.00859	1.2
101.02443	16.2
113.02439	8.8
113.03162	0.9
119.03499	6.8
123.03310	0.5
137.04828	0.8
138.39456	0.5
143.03502	1.2
149.04399	0.6
151.07649	0.6
159.03023	1.1
161.04628	2.3
166.05890	0.6
169.08720	2.3
172.88556	0.4
179.05597	0.7
184.90141	0.5
187.09697	1.2
192.10289	0.8
195.08939	0.5
200.09261	11.0
210.11223	0.7
220.13376	0.8
248.12878	1.0
266.13895	0.6
291.14856	0.5
328.15808	0.5
331.13947	19.5
372.16730	0.9
410.18143	1.2
428.19186	11.2
453.64981	0.6
468.22104	2.4
514.22882	8.7
532.23834	4.2
564.26575	100.0
565.27136	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	564.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28722	11.9
59.01359	20.0
69.49686	43.6
78.95894	19.0
84.64272	12.9
91.04009	100.0
92.92825	11.8
94.92493	20.0
103.79987	13.5
148.48582	11.3
171.70319	13.3
255.23233	39.6
269.90146	13.0
307.30081	37.8
351.29184	22.9
369.29922	22.6
370.30472	21.8
408.18542	12.0
425.32605	39.2
426.32910	28.7
443.33731	42.0
444.34070	54.5
483.27060	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98834	1.2
69.60905	0.5
70.98318	0.1
71.01378	1.0
73.02949	0.4
77.27607	0.1
83.01391	0.2
85.02949	0.5
87.91527	0.1
88.99664	0.1
89.02445	0.6
93.03444	0.2
96.96014	1.7
99.92583	7.7
101.02439	0.7
113.02434	0.4
114.93433	1.0
116.92861	100.0
117.92857	1.9
137.02504	0.2
143.87048	0.2
149.04579	0.4
151.03975	0.2
167.03523	0.2
174.01715	0.5
191.05606	0.3
255.03168	0.2
284.03296	0.5
285.03967	0.9
289.10995	0.1
314.70282	0.2
447.09323	1.1
449.10941	0.4
451.21738	0.2
465.15033	0.2
469.21112	0.2
489.62271	0.2
505.26663	0.4
547.02039	0.5
564.24066	0.9
565.16162	0.2
565.25330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0478
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
53.72968	0.5
59.19041	0.5
62.96398	0.7
69.25742	2.6
78.95902	100.0
96.96031	10.7
96.96957	37.8
98.22621	1.2
111.02004	9.3
120.96953	1.8
136.93997	0.9
138.98045	3.1
150.97992	3.5
152.93674	0.9
154.90620	1.0
154.93367	0.8
158.92529	15.2
174.97951	0.6
176.93613	1.6
176.98045	1.0
178.95166	0.5
178.97943	0.5
192.99126	1.1
211.00154	5.0
223.00098	0.5
236.50548	0.5
241.01172	9.3
272.95660	5.2
280.02255	2.1
296.85117	0.7
305.01672	0.8
320.97858	2.7
323.02841	67.2
324.03091	1.6
340.94327	0.5
362.47122	0.6
378.81207	0.8
380.80606	0.8
384.98462	3.7
402.99588	1.0
421.81534	0.6
422.81754	1.7
434.25314	0.6
504.95084	1.3
565.04730	30.9
566.05457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
68.03897	0.2
69.36893	0.4
69.37286	0.5
71.51632	0.2
85.02947	0.3
89.03974	0.5
91.47846	0.2
93.03473	0.4
95.61358	0.2
106.04254	0.4
112.42641	0.2
117.03464	1.0
121.02945	1.0
128.35326	0.2
129.18117	0.2
132.02164	0.7
133.02946	2.5
134.03740	68.4
135.04602	2.3
137.02435	5.5
139.04019	1.5
146.53912	0.2
149.06082	18.0
150.03227	0.8
160.01633	2.5
161.02422	0.7
162.03178	1.2
171.05969	0.2
175.04008	2.2
177.05589	0.9
178.02711	36.3
179.03493	3.8
191.05620	0.3
192.04297	1.4
192.05795	0.3
193.05051	100.0
194.05382	1.7
207.06645	1.8
284.21436	0.2
371.11191	0.8
455.49484	0.3
505.37231	0.3
565.02863	0.3
565.17047	5.1
566.17194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	1.6
57.03459	1.4
59.01378	55.1
60.60753	1.0
61.98832	14.8
65.83801	1.0
69.44337	5.2
71.01010	1.9
71.01379	25.5
72.99286	1.8
73.02924	3.9
77.00100	1.2
83.01391	1.9
85.02937	4.9
87.00842	1.7
89.02442	23.7
95.01376	2.6
96.96014	3.3
98.22716	1.1
99.00871	3.3
101.02433	16.6
108.02187	1.3
110.17424	1.0
113.02448	7.5
116.92839	4.7
119.03494	8.9
123.00874	1.8
124.01618	1.3
125.02433	2.2
131.03487	2.8
135.04431	1.2
136.01660	25.1
137.02426	3.3
138.03241	5.4
139.00372	3.5
139.03958	1.9
143.03435	1.4
147.04509	1.9
149.04558	5.9
151.00397	2.3
151.02859	1.8
151.04012	30.7
153.01883	2.1
153.05618	1.2
159.04466	3.3
160.05284	5.8
161.02335	1.2
166.02660	4.6
167.03415	1.4
175.04016	1.9
175.07600	7.3
178.02779	1.5
179.03586	2.2
179.05565	2.0
180.04149	1.1
181.05060	4.0
185.02504	1.6
186.03069	1.2
187.16968	1.0
188.04774	1.4
191.05569	3.2
193.04962	1.9
202.02776	1.7
203.03505	8.9
204.59528	1.1
209.08191	1.8
217.05006	1.8
218.05826	10.0
219.06592	1.5
233.08192	17.5
282.05386	1.3
293.04437	2.2
294.05301	1.4
309.07556	1.7
310.04681	2.9
321.07474	1.7
324.10022	1.3
325.07083	3.7
340.09427	5.9
355.07684	1.4
355.11868	21.1
367.11771	5.6
384.50696	1.2
385.12909	12.1
388.11505	2.5
403.14047	12.0
505.26447	11.2
565.19226	100.0
566.19800	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	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	36.4
61.85506	16.9
61.98821	97.7
68.26403	18.8
69.07839	23.9
69.08240	100.0
71.01381	20.5
78.45037	16.6
84.48792	14.8
91.45078	14.8
93.03469	17.8
98.21847	25.5
107.64177	14.7
111.58273	15.6
127.60084	16.5
145.53827	18.5
218.26286	18.0
439.99164	17.8
504.07187	18.8
565.28174	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71825	16.6
59.01372	30.7
61.98827	100.0
69.79511	45.2
82.61335	19.4
165.77644	21.1
209.11934	28.2
253.09235	28.5
293.21280	53.8
565.28015	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64080	9.1
56.13639	7.4
59.01379	69.2
61.98832	95.2
69.39425	34.8
71.01374	18.7
85.02454	7.6
85.02930	20.4
87.00863	20.7
88.75527	7.7
92.46746	10.7
93.03448	63.6
94.03776	11.9
101.02426	21.4
105.35950	8.0
111.04512	14.6
113.02454	16.7
133.44302	8.3
137.02423	9.5
154.99228	8.5
173.04521	100.0
174.04878	36.2
175.05101	11.3
185.62299	8.0
187.07674	15.1
191.05583	77.6
192.05891	37.0
193.06039	23.3
209.11765	23.3
215.07014	18.3
216.07483	12.5
231.10194	13.8
247.09657	16.6
248.09953	10.0
249.10228	8.4
547.21228	81.6
565.20587	58.1
565.28925	23.0
565.35938	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	565.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
57.03428	2.6
59.01377	48.4
61.98828	64.7
62.98528	1.2
64.37306	1.2
67.37010	1.2
69.39957	4.7
71.01379	36.4
73.02934	11.3
83.01385	6.2
85.02941	15.1
87.00884	2.6
88.98800	1.5
89.02441	27.6
93.03460	3.7
95.01371	2.1
96.96011	19.9
97.02933	1.5
98.93914	1.2
99.00824	2.6
101.01785	2.1
101.02437	29.5
111.00877	3.9
113.02438	13.8
115.03964	1.2
116.92867	1.4
119.03519	5.3
125.02464	2.7
131.03516	8.3
135.04501	2.0
137.02432	1.9
139.03983	3.6
143.03450	2.8
149.04524	4.4
159.02992	2.8
160.76088	1.3
161.04526	6.7
163.11128	1.4
173.04544	2.6
191.05643	6.1
192.05902	1.6
193.05971	1.2
215.12997	1.4
220.52727	1.1
229.12306	2.8
233.06496	2.2
255.35362	1.4
299.16281	1.3
354.46155	1.1
373.22327	13.6
387.20090	2.9
388.20593	9.6
403.14090	2.0
446.50620	1.1
502.23691	1.8
505.26523	100.0
506.26425	2.7
521.25061	2.2
547.31378	2.0
565.23218	12.0
565.32910	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	565.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97661	1.4
59.01376	82.3
61.98821	1.6
65.95813	1.3
69.42915	3.0
69.43287	6.3
76.01215	1.3
78.95895	4.0
79.37164	1.5
89.02450	2.1
91.04016	5.6
91.57811	1.5
92.92729	1.5
95.05043	1.8
96.96014	2.8
105.03480	10.4
127.00101	3.1
132.02193	1.9
133.02948	48.9
134.03748	10.8
135.04529	4.5
137.02400	2.2
148.05270	6.1
150.72708	1.5
152.99561	4.7
160.01657	15.8
161.02420	8.7
161.06096	5.1
162.03050	1.9
171.52965	1.5
175.03992	31.3
177.01917	3.5
178.02687	5.3
179.03439	2.1
193.05112	3.5
204.11630	1.7
233.08128	2.0
247.09758	4.0
254.68256	1.4
255.23225	3.5
261.11273	4.6
279.23251	27.8
281.24725	1.3
282.25208	1.5
289.14456	3.5
303.15927	3.2
317.17664	2.6
331.19165	3.9
341.26828	1.7
345.20584	3.4
359.22244	1.7
363.25162	9.6
387.24902	2.5
387.29169	3.9
399.03757	1.6
411.24606	2.3
411.29260	4.5
414.27722	11.7
415.28818	2.0
416.25629	16.8
417.26392	6.4
429.30048	15.6
431.27988	100.0
432.28427	3.9
441.26306	4.5
453.47647	1.6
455.21576	2.4
455.27948	50.2
456.28091	1.9
473.29013	11.6
483.27332	2.1
491.30127	17.4
507.27136	14.0
547.32764	46.2
565.24084	2.6
565.33765	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16693	1.0
55.01871	2.0
57.03435	2.6
59.01378	51.0
60.01677	1.0
61.98823	9.7
64.33037	0.8
67.01888	2.3
68.65311	0.9
69.03466	1.1
69.48799	4.3
71.01380	25.2
71.04999	0.9
72.01711	1.2
72.99287	2.1
73.02945	17.9
75.00872	2.5
80.54122	1.0
82.58543	0.9
82.95406	1.0
83.01382	4.2
85.02952	16.5
86.03292	1.4
87.00877	7.8
88.01225	1.0
89.02441	12.7
93.03457	14.5
94.03781	3.9
95.01403	2.4
97.06569	1.0
98.22565	1.4
99.00877	4.5
101.02435	14.9
101.75501	1.0
107.05032	1.2
109.02938	1.2
111.00905	1.0
111.04501	3.5
113.02441	13.8
113.06114	1.3
117.01938	24.1
119.03501	6.0
119.04847	1.0
121.02938	1.6
123.04517	3.6
125.02447	1.3
133.02940	1.4
135.04501	3.8
136.01599	1.1
137.02412	3.0
139.03996	2.7
149.04576	1.8
155.03496	2.0
159.03040	1.1
161.04570	5.5
167.06281	1.8
172.05188	1.1
173.04544	21.5
173.05948	1.6
174.03577	0.9
174.04910	5.3
175.05017	3.3
179.03513	3.7
179.05473	2.6
181.05063	1.3
186.06918	1.5
187.07559	1.5
188.08289	1.0
189.14961	0.9
191.05611	20.9
192.05891	7.5
193.06119	4.8
201.05698	1.2
201.09213	1.7
203.07140	1.9
205.08664	1.0
215.07021	2.0
216.07451	1.9
229.08673	1.4
230.09222	2.1
231.10092	4.2
233.08165	1.6
248.10226	2.1
251.59375	0.9
275.08844	1.3
289.10855	2.9
289.99432	1.0
344.80930	1.0
351.20193	41.0
352.20389	1.6
357.30267	1.6
368.31256	1.3
373.16046	1.7
377.18054	1.2
385.29501	1.6
391.16687	2.6
403.30670	1.9
451.21674	2.4
459.29880	1.1
461.11447	1.0
461.30264	5.1
472.69519	1.3
479.31909	1.8
505.33646	6.2
535.16003	1.1
547.21704	6.5
547.34955	2.7
565.22302	19.2
565.35907	100.0
566.36261	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76915	0.7
55.03325	0.6
69.08408	4.3
71.65511	0.7
72.99312	2.2
75.00871	100.0
78.95908	2.9
80.96516	1.0
224.06898	0.8
225.00705	0.7
271.31262	0.6
279.23267	11.9
280.23666	2.6
504.30960	9.3
505.31302	2.0
520.52087	0.7
526.28021	0.8
565.26550	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	566.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98828	100.0
69.06760	1.5
69.07185	1.3
71.20870	0.4
82.95393	0.5
85.02982	0.5
93.03469	1.0
105.00524	0.4
108.11056	0.4
137.02493	0.4
147.51762	0.4
154.01460	0.4
173.04521	0.8
181.06596	0.8
183.79964	0.4
191.05617	2.0
193.06090	0.7
209.11809	0.5
213.84113	0.4
219.17062	0.5
223.52536	0.4
224.04831	0.9
225.03360	0.7
225.05559	11.0
239.07135	8.5
240.07880	3.7
255.10251	78.8
256.10565	2.1
390.23471	0.4
431.24313	0.4
547.52094	0.4
548.21704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.17423	0.3
73.56045	0.3
73.82902	0.2
162.50084	0.2
234.72728	0.3
281.72440	0.3
566.15918	0.8
586.12671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
58.00578	1.3
59.01377	83.2
59.83554	1.3
61.98829	100.0
63.60463	1.2
66.85357	1.2
69.03457	1.8
71.01389	12.3
71.41634	1.6
71.42023	1.5
72.12973	1.4
73.02949	4.6
83.01389	2.7
85.02949	5.7
87.00893	2.2
87.04544	1.5
89.02445	5.6
92.05058	2.1
93.03455	1.7
95.01343	1.6
96.96012	6.8
99.00893	1.7
100.93373	3.3
101.02451	8.1
107.03798	2.2
108.02177	1.5
109.02955	5.7
110.03313	2.6
111.04556	1.4
113.02453	9.9
115.92046	3.4
116.92847	3.2
118.02954	3.2
122.06104	5.5
135.04514	6.5
136.03983	2.2
136.04916	2.9
139.03984	3.8
139.63857	1.5
142.04117	1.7
151.03943	2.5
152.07156	6.6
153.01938	6.5
154.02338	1.9
161.04539	4.3
173.04434	2.0
176.01155	1.6
191.05620	4.0
192.46863	1.3
201.11339	4.9
202.11674	1.9
212.04543	2.2
283.71100	1.5
290.13913	4.4
293.09286	5.4
305.09210	1.9
344.09567	1.6
380.40625	1.6
399.23849	22.2
417.24838	4.8
418.36584	1.5
452.29242	2.8
459.26077	7.7
502.16211	13.9
506.34027	4.5
534.19092	2.9
565.32550	1.6
566.19940	6.2
566.32294	8.2
567.08191	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	566.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98829	5.6
123.36922	2.4
135.04538	3.8
192.98686	2.7
223.93570	2.4
264.09430	2.4
279.83359	2.4
305.21405	3.0
319.22769	2.9
330.69852	2.8
463.27100	18.5
481.28067	25.0
523.29102	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	566.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09317	0.3
61.98829	100.0
64.91911	0.3
69.22231	1.6
78.95913	0.7
92.44521	0.3
96.96022	0.9
108.05054	0.3
143.16147	0.3
152.99672	0.3
156.21660	0.3
173.96007	0.3
281.24847	3.8
282.25128	0.3
282.52246	0.3
307.68875	0.3
350.72403	0.3
506.32553	1.4
547.91840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17971	1.0
52.18640	1.1
57.03457	1.3
59.01379	100.0
60.01725	1.4
61.98824	11.6
69.20205	8.0
69.86762	1.1
71.01384	25.3
72.99290	1.3
73.02942	35.2
77.89329	1.0
80.91683	1.4
82.95409	2.1
83.01392	9.4
85.02947	8.6
85.64639	1.1
86.94341	1.3
87.00867	2.7
89.02439	11.6
93.03457	3.6
95.01388	1.6
95.05035	1.3
96.95983	1.7
99.00882	2.3
101.02440	33.9
109.02918	1.5
113.02458	16.8
116.92852	2.3
119.03496	4.9
119.05068	1.1
121.02891	1.4
122.03738	6.2
123.04537	3.5
124.04846	1.8
131.03522	2.8
135.04549	1.8
137.02481	1.8
139.03961	7.0
141.01668	3.3
143.03490	3.6
145.05070	4.3
149.04546	6.0
149.05814	1.1
161.02478	1.4
161.04559	10.4
173.04559	2.2
191.05640	4.6
191.07169	1.3
201.05611	2.8
202.06316	2.8
217.07246	2.2
221.06691	1.6
229.08698	7.3
230.09360	4.1
235.08182	3.4
243.10249	2.1
273.11322	14.6
277.09143	4.2
289.10730	2.1
290.11166	1.2
291.11115	1.5
301.14478	6.5
319.15424	1.7
409.15091	5.1
410.15665	5.3
453.23135	4.5
463.29340	1.4
507.22290	1.3
523.21661	1.7
566.36133	8.7
567.30066	1.1
567.36902	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	567.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
61.98824	0.8
69.31242	2.0
71.01386	2.1
73.02942	0.4
75.00858	0.5
76.18125	0.3
80.50405	0.3
81.03451	12.3
85.02943	0.6
89.02449	1.2
91.89795	0.4
93.03468	1.3
95.05053	0.8
96.95966	0.5
97.12274	0.4
100.00464	0.4
101.02422	0.7
103.01503	0.6
111.00882	1.1
113.02456	0.7
119.03458	0.7
123.04494	0.4
134.03732	0.6
135.04530	0.6
137.06073	83.6
138.06432	0.4
142.05078	0.4
144.89255	0.4
149.06070	0.9
151.04054	0.8
155.03607	0.4
161.04588	0.4
165.01904	0.8
165.05554	0.6
175.04060	0.4
180.04259	0.8
181.05067	0.9
191.05620	0.8
191.66942	0.4
193.05161	0.4
195.06604	0.6
225.09209	1.6
243.10225	100.0
244.10576	1.6
297.07416	0.4
312.09915	0.6
327.12161	0.7
345.15247	0.5
357.13400	1.3
375.14594	0.8
387.14410	0.8
405.15515	34.1
406.15729	0.6
501.79224	0.4
545.56482	0.4
567.21143	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92085	0.2
56.65896	0.2
59.01354	0.2
71.01366	0.5
75.00857	0.3
81.03452	10.1
85.02930	0.3
93.03473	1.0
93.07092	0.2
95.05014	0.3
98.22686	0.4
99.00911	0.3
109.06615	0.2
111.32698	0.2
122.03727	0.8
123.04514	2.0
137.06079	76.7
138.03242	0.4
138.06410	0.9
149.02431	0.6
149.06081	0.5
150.03206	1.5
151.04004	5.8
152.04793	1.6
164.04744	0.3
165.05547	2.0
179.03462	0.3
193.05074	0.3
194.05914	0.3
195.06625	1.8
197.09795	0.3
209.08200	0.4
213.09181	0.3
225.09196	0.2
228.07925	0.2
233.54811	0.2
241.08714	1.5
242.09459	6.5
243.10245	100.0
244.10612	2.0
267.10193	0.2
285.11047	0.2
353.06653	0.2
357.13293	0.6
405.15530	25.8
406.15799	0.7
567.21027	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	567.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98842	0.2
70.82648	0.3
71.01370	1.1
71.47814	0.2
73.02959	0.3
75.00880	0.3
83.01366	0.3
85.02934	0.4
87.00897	0.3
89.02447	0.3
93.03454	1.2
98.22640	0.3
101.02428	0.5
106.04247	3.3
108.02183	0.5
113.02423	0.6
116.92854	0.7
122.03729	10.5
136.05313	0.2
137.02441	0.5
137.06079	30.4
138.03241	0.3
138.06401	0.4
148.12117	0.2
150.03206	0.4
161.04532	0.7
191.05716	0.4
200.50111	0.2
243.10245	100.0
244.10587	2.8
285.11331	0.3
383.23642	0.2
405.15518	13.6
406.15707	0.6
467.67453	0.2
546.07806	0.2
567.20178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20162	0.3
55.01882	0.6
57.03431	0.4
59.01378	15.9
61.98840	2.7
69.03461	0.5
69.20480	2.3
71.01381	14.0
72.99332	0.4
73.02934	2.2
74.11584	0.4
74.65282	0.4
83.01377	1.3
84.46814	0.4
85.02942	3.8
87.00893	1.3
89.02443	8.6
93.03466	2.0
95.01407	0.8
96.96017	1.5
97.02937	1.3
99.00921	0.6
101.02436	8.9
105.42579	0.4
106.04240	3.8
107.05059	0.6
108.02181	1.0
113.02444	5.3
116.92845	0.8
119.03487	3.4
120.01221	0.7
121.02944	0.5
122.03738	16.6
125.02454	2.5
131.03491	1.3
134.03764	0.7
137.02422	1.1
137.06081	40.4
138.06424	0.5
139.03966	0.4
141.15454	0.4
143.03510	2.2
149.06065	0.5
159.82300	0.5
161.02499	0.8
161.04561	2.9
165.05521	0.8
173.04567	0.4
173.30826	0.4
179.05608	2.0
191.05659	0.8
193.05055	1.1
221.06683	2.2
243.10242	100.0
244.10620	2.5
263.07614	0.6
273.11322	0.8
285.11331	0.6
323.09888	2.5
343.11469	0.4
387.14359	2.8
405.15530	8.6
567.20764	38.2
568.20770	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	567.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34184	0.9
61.98853	1.0
63.48169	0.9
70.85365	1.5
101.53105	1.0
113.44680	1.1
120.09133	1.0
121.02921	1.3
135.04594	1.4
162.06941	1.7
163.03995	2.4
205.98180	1.0
209.06157	1.0
215.62296	0.9
218.97673	0.9
238.06380	2.3
253.08723	4.0
254.09569	1.2
275.17377	1.1
294.35126	1.0
298.34219	1.0
313.14478	5.9
341.11819	2.4
355.09552	1.4
355.13428	2.2
356.10367	1.4
357.11273	2.7
368.10580	2.1
372.10144	1.3
381.11328	2.2
382.12149	6.5
383.12854	60.6
384.13611	42.4
385.10559	10.3
386.11642	1.9
402.10977	1.2
414.11221	1.2
416.12442	7.8
505.16602	4.4
519.18066	14.7
535.21283	100.0
536.20953	4.7
537.19116	2.1
567.23938	76.3
568.24146	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	567.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.3
57.12724	1.4
57.47284	1.3
59.01377	52.1
59.98902	1.4
61.98832	20.3
63.79453	1.3
69.03447	2.2
71.01068	1.8
71.01382	17.7
72.99284	1.6
73.02937	6.3
74.06508	1.4
82.95417	48.9
83.01373	3.3
84.33219	1.5
85.02947	8.1
87.00883	3.0
89.02433	8.9
93.03439	5.3
95.01369	2.0
97.03011	1.9
99.00883	2.6
99.80486	1.7
99.92548	2.0
100.93390	10.8
101.02432	11.1
107.05045	2.4
108.02187	1.4
113.02458	16.0
115.92068	14.2
116.92858	12.8
118.94415	2.8
119.03469	2.3
120.99606	1.4
121.02996	1.6
125.02437	1.8
134.03816	3.4
135.04524	100.0
137.02492	2.3
139.04018	5.1
143.03474	2.0
149.04500	2.0
153.09213	2.0
161.04446	2.0
173.04544	2.4
175.07509	1.5
179.03485	42.0
179.05185	2.4
183.10187	3.4
191.05617	7.3
202.06268	2.3
225.11293	3.9
229.08664	5.7
230.09453	4.7
243.12210	2.0
244.46698	1.5
287.91833	1.7
387.16553	4.2
391.23865	2.6
409.14856	2.0
410.15909	4.1
417.25241	3.7
468.29169	1.7
506.33896	3.3
507.34241	6.3
523.21771	20.9
524.35028	2.8
525.35565	2.2
531.28082	21.5
567.25793	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	567.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98833	0.4
69.07326	0.5
69.07747	0.7
71.01371	0.3
82.44388	0.2
85.02936	0.3
91.05496	0.4
93.03454	0.3
93.68289	0.2
107.05034	2.5
111.82754	0.2
117.03465	0.4
119.22734	0.2
128.79118	0.2
133.02965	2.5
134.03734	3.0
135.04514	100.0
136.04849	1.4
146.03760	0.2
148.05290	1.2
160.03995	0.4
161.02435	8.8
161.06018	0.4
164.01411	0.2
174.99231	0.3
176.03529	0.6
177.04221	0.3
178.05070	0.5
183.63434	0.2
184.39175	0.2
190.05153	0.7
191.05640	0.4
204.06578	1.0
218.08176	0.3
232.09857	0.2
304.20453	0.4
321.22964	0.4
325.59079	0.2
346.21286	3.8
350.50064	0.2
363.23911	2.0
388.22357	16.3
389.22168	2.6
405.25027	13.0
405.30484	0.5
406.25323	0.5
431.22928	38.4
432.23349	1.6
469.05920	0.2
507.20880	0.5
567.28174	55.8
568.28418	3.1
592.06555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03435	2.0
59.01377	23.0
61.98835	7.0
66.10574	0.7
69.03461	1.4
69.14714	0.7
69.39403	2.1
69.39809	2.1
70.09131	0.7
71.01378	24.9
73.02950	14.5
75.00851	2.3
79.69633	0.8
83.01379	4.1
83.13247	0.8
85.02950	11.7
86.00095	0.9
86.32991	0.7
87.00882	1.7
89.02443	7.8
93.03468	1.5
93.97177	0.8
95.01370	2.0
96.73538	0.8
97.02955	1.9
99.00872	5.3
100.93353	1.0
101.02442	23.2
111.00874	1.0
113.02443	12.6
115.92071	1.4
116.92831	1.5
119.03582	1.1
121.02969	2.7
121.90752	0.8
125.02436	1.9
129.01903	1.0
131.03450	1.5
136.01631	1.3
143.03526	0.9
151.04012	1.5
152.04384	0.9
159.02982	1.9
161.04539	8.5
190.20337	0.9
191.05563	1.7
201.44305	0.8
203.10719	0.9
221.01033	0.9
236.29852	0.9
315.16138	0.9
330.73749	1.0
345.81696	1.0
375.23843	11.2
453.14114	1.1
507.28076	100.0
508.28372	5.4
523.27325	2.3
567.19806	10.1
567.29474	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	567.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03453	1.2
59.01380	24.9
61.98830	100.0
62.98532	1.8
63.99258	1.9
67.14650	0.6
69.03450	0.8
71.01384	22.2
73.02954	10.6
75.00885	2.2
75.36305	0.7
83.01384	4.0
85.02954	10.5
87.00901	2.1
88.98834	1.8
89.02441	8.9
93.03459	2.4
95.01382	2.0
95.05035	0.8
96.96006	10.0
97.02326	0.6
97.02955	2.2
98.95640	0.9
99.00880	4.0
99.92593	0.8
100.93369	4.6
101.02438	21.6
113.02454	14.1
114.02808	0.9
115.92065	5.9
116.92877	3.3
119.03515	2.5
121.02979	3.1
122.03755	0.7
125.02459	1.2
125.06152	1.1
131.03548	1.5
133.02960	0.8
135.04529	1.4
136.01596	0.8
137.02483	2.2
139.04022	1.6
143.03600	1.0
149.04546	0.8
153.01901	0.9
153.05629	0.7
159.03021	2.2
161.04553	5.4
163.04018	0.9
165.21721	0.7
173.04579	2.2
179.05652	1.2
191.05649	4.2
247.09924	0.8
254.29886	0.8
271.48547	0.7
375.23907	14.9
390.22534	1.0
390.50894	0.9
393.05252	1.1
453.27332	1.3
481.26331	1.5
487.07370	1.8
507.28104	53.8
508.28461	1.5
523.19720	0.8
523.27820	2.4
567.20813	2.5
567.32501	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	567.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68008	1.8
61.98843	2.7
62.04097	1.6
69.79436	7.0
78.95914	9.9
79.71175	2.0
79.95728	1.9
80.19606	1.7
84.02216	1.9
92.92809	4.9
96.92219	3.0
96.96009	100.0
98.21838	2.0
125.61768	1.9
128.94212	1.8
135.04517	3.7
152.99498	2.6
193.33698	1.9
193.90797	5.9
225.65193	1.7
255.23376	2.7
279.23215	12.3
281.24908	8.4
293.71408	1.8
331.54919	2.1
447.25140	3.4
509.29175	3.4
531.17773	6.3
567.20013	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	568.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98826	100.0
70.45390	0.1
71.01387	0.4
73.02917	0.2
81.71341	0.1
84.91163	0.1
85.27116	0.1
86.41724	0.1
89.02448	0.5
98.21889	0.3
101.02457	0.2
102.20147	0.1
115.50330	0.1
125.02428	0.2
126.15031	0.1
138.14200	0.1
149.04587	0.2
163.20869	0.1
169.06000	0.9
170.06406	0.5
173.04520	0.2
191.05568	0.2
192.38365	0.1
213.05124	0.3
214.05353	0.3
261.02765	0.1
294.09082	0.1
356.83261	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	568.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45233	0.4
57.89339	0.4
59.01369	1.8
61.98829	88.0
69.15308	1.8
69.15713	0.6
72.63312	0.4
77.17451	0.4
93.03461	0.6
106.04243	14.6
115.44321	0.4
126.20144	0.4
136.05321	1.7
136.51619	0.4
138.03224	0.8
151.04005	0.7
151.07637	3.5
191.05602	0.9
210.06871	0.8
242.09189	0.4
257.11826	100.0
258.12115	2.9
335.95544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45702	9.6
61.98814	47.9
70.07484	21.6
70.07829	11.4
78.95897	17.6
96.95972	14.0
104.18371	9.8
104.35241	9.7
136.05286	13.9
137.06032	20.7
152.99615	13.3
164.04762	17.6
165.05524	36.3
167.56467	10.2
215.92651	9.1
224.08496	16.5
226.84219	10.6
239.07097	15.8
239.10745	23.9
240.07979	22.5
254.09666	10.9
255.10106	19.3
257.11835	16.5
267.72086	10.0
268.10995	11.3
285.11221	39.9
525.22791	100.0
551.23944	13.2
568.21283	33.1
569.25128	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	568.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99323	0.6
61.98840	0.9
69.33626	3.8
82.95416	2.7
84.00893	1.4
84.95113	16.7
84.95599	1.3
85.00432	100.0
86.54159	0.7
101.42081	0.7
109.20483	0.6
118.01902	0.7
134.31323	0.7
239.16093	0.6
242.61115	0.6
477.34485	0.7
483.31497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.8
55.27451	0.9
56.55120	0.8
59.01381	60.3
69.03432	2.3
69.17521	5.4
71.01378	35.0
73.02961	2.1
83.01417	2.0
85.02957	4.7
86.62189	0.8
87.00871	2.6
89.02444	48.5
93.03441	1.9
95.01382	2.3
96.96017	2.0
98.21905	1.8
99.04536	2.0
101.02448	21.6
109.02946	0.9
113.02450	20.1
119.03500	20.6
131.03497	2.9
140.79413	0.9
143.03482	3.2
149.04575	1.5
161.04639	4.6
161.05809	1.0
171.10248	2.4
177.09187	1.3
179.05602	13.2
191.05565	0.9
205.08708	2.5
249.07571	5.1
312.68906	0.9
341.10858	100.0
342.11340	2.3
382.28992	0.9
397.13254	1.9
411.12927	4.3
446.08698	0.9
455.14084	33.5
544.48303	0.9
569.16888	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	569.2544
Annotation	artoindonesianin A
Peak:m/z	Relative Intensity
53.37933	0.3
69.05479	1.8
76.86604	0.3
78.95889	0.4
84.56625	0.3
90.42133	0.3
98.21889	0.8
121.02921	2.6
121.06631	0.3
135.04520	0.6
136.05281	1.2
137.06047	0.4
149.06097	2.1
150.06839	0.9
151.04007	0.5
151.07600	0.5
164.04712	0.4
207.08275	0.5
208.08931	0.8
209.06120	1.1
210.06842	0.6
210.10501	1.2
211.07626	0.4
223.07649	5.3
224.08395	0.9
225.09218	13.4
226.06354	0.3
226.09633	0.3
230.40553	0.3
237.05589	1.3
238.06306	1.8
239.06812	0.4
246.32289	0.3
250.94168	0.3
251.07146	3.2
252.07916	9.3
253.08719	14.1
254.09428	1.8
265.08719	1.1
266.09442	1.4
267.10294	2.4
268.10999	4.0
269.08270	0.8
269.11823	1.3
285.11435	0.3
286.12097	1.4
287.12970	0.5
291.10333	0.4
293.08371	0.5
294.09012	1.4
301.14450	7.3
303.13953	1.2
304.10977	0.4
308.10471	0.5
309.11469	0.7
315.12280	0.4
329.11713	0.4
343.13333	0.3
344.14417	0.4
345.11279	0.7
346.11969	0.5
347.12830	0.4
357.14935	0.6
359.12885	0.5
360.13480	0.4
371.12854	0.4
373.10745	1.0
374.11487	0.5
375.16061	1.4
375.20923	0.3
383.13000	0.5
384.13708	0.7
385.14395	0.9
387.12299	1.2
388.13239	3.4
389.13718	0.7
399.16220	0.7
401.13623	0.6
402.14789	0.9
403.15472	3.8
404.15390	0.4
417.17102	0.9
418.17740	0.7
468.15732	0.3
497.19949	0.4
498.20416	0.5
510.24359	0.6
511.21439	0.4
521.20093	0.4
526.23126	0.8
535.21478	1.0
536.22125	0.9
537.23090	0.5
539.20795	1.3
551.24286	0.5
553.22455	2.8
554.23090	23.6
555.23682	0.6
569.25476	100.0
570.25867	3.4
599.18127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2537
Annotation	artoindonesianin A
Peak:m/z	Relative Intensity
69.08374	1.9
69.08776	0.6
74.17177	0.3
78.95911	0.6
85.00417	0.5
92.85329	0.3
96.95973	0.4
109.02954	0.5
109.14437	0.3
121.02939	3.3
121.06557	0.3
122.03712	0.5
135.04510	3.4
136.05293	10.8
137.06071	19.7
146.29665	0.3
149.06068	4.0
150.06859	1.5
151.03970	0.8
152.99577	0.5
163.03992	1.9
164.04787	11.3
165.05560	31.5
166.06001	0.4
208.08905	0.6
209.09714	0.7
210.06908	0.5
210.10475	2.4
211.07637	0.8
217.69415	0.3
223.07625	0.8
224.08398	0.9
225.09200	15.7
226.06386	0.9
226.09612	1.1
237.09172	2.5
238.09975	20.1
239.07063	0.8
239.10703	1.6
240.07831	0.5
241.08609	3.7
242.09383	0.6
252.07870	1.3
253.08672	12.8
253.12305	13.5
254.09462	25.5
255.06558	1.4
255.10014	0.9
267.10291	0.8
268.08084	0.3
268.11020	6.1
269.08450	0.8
269.11783	4.9
270.06400	0.3
270.08905	2.5
271.06140	0.4
271.09766	1.1
283.13437	3.6
284.10428	0.4
285.08032	0.7
285.11282	7.3
286.08652	0.8
286.12036	2.8
287.12863	7.0
300.10001	1.4
301.10724	1.4
301.14392	0.9
302.11505	0.8
315.12372	19.6
316.13101	12.5
317.13394	0.5
318.11185	0.4
337.14542	0.7
370.11871	0.5
374.14963	0.4
385.14304	0.5
403.15601	0.8
417.17010	1.1
418.17508	0.8
554.23083	3.0
569.25391	100.0
570.25702	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	569.2543
Annotation	artoindonesianin A
Peak:m/z	Relative Intensity
61.37938	0.7
61.98817	1.3
71.42271	0.9
78.95918	3.7
97.04862	0.7
121.02969	1.5
121.06619	0.8
136.05327	0.9
137.02444	1.1
140.52948	0.7
149.06065	2.6
152.99629	4.9
225.09251	5.5
241.01309	1.8
253.08723	8.0
253.21613	3.9
254.09541	2.3
255.10434	0.9
262.07071	0.8
267.10251	0.7
268.11005	3.7
269.11853	3.3
301.14511	2.3
341.15265	0.7
358.12283	1.7
370.12180	2.5
371.12848	6.9
372.13751	3.1
374.11594	8.0
384.13608	1.7
385.14539	4.3
386.15173	15.6
387.15994	3.2
389.13928	25.4
390.14728	1.1
403.16168	0.9
469.16315	1.2
507.18716	0.9
511.21570	1.1
521.19745	3.2
522.20679	6.2
523.20917	1.0
535.20972	1.4
537.22827	9.8
538.23218	1.0
541.22565	2.3
569.25647	100.0
570.25616	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	569.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17765	0.7
61.98822	0.7
65.47210	0.7
70.03512	1.6
75.35265	0.8
78.95900	5.2
83.36812	0.7
93.03467	1.6
96.97002	0.9
98.22472	0.9
121.03003	2.6
134.24445	0.9
135.04588	1.1
136.05327	1.1
137.02475	2.8
149.06036	4.0
152.99580	7.6
163.04044	2.0
209.06004	1.2
210.10524	1.1
223.07602	5.7
225.09227	7.1
238.06435	0.7
240.07899	1.2
241.01276	2.1
251.07240	3.1
252.07909	9.8
253.08662	11.1
253.10915	1.0
253.21759	6.5
254.09496	2.0
255.10420	2.5
266.09357	1.3
267.10327	2.1
268.11105	3.2
269.11935	2.1
286.11920	1.0
294.09055	1.8
301.14517	1.9
303.14047	1.0
309.11365	0.9
315.05020	0.9
347.13022	1.2
357.11362	1.0
375.16010	1.3
383.13275	0.9
385.10977	2.9
386.11569	3.5
387.12555	2.7
388.13370	2.4
389.13931	7.9
400.13269	0.9
401.13666	1.0
402.14722	1.1
403.15497	5.8
417.17087	1.3
431.18518	3.3
498.20633	0.9
513.23157	1.1
526.23315	1.3
535.21893	1.1
537.19604	2.5
539.21185	1.3
553.22516	7.9
554.23114	8.3
560.01331	0.7
569.25690	100.0
570.26154	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	569.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30964	0.1
54.87716	0.1
59.01372	0.4
61.55170	0.1
69.42024	0.5
73.02936	0.2
75.00871	0.7
94.91320	0.1
99.00910	0.2
99.92577	7.6
100.92564	0.2
110.04755	0.1
114.93403	0.2
116.92856	100.0
117.01933	1.1
117.92866	1.8
139.04018	0.1
146.06087	0.2
191.05644	0.2
213.78001	0.2
253.63057	0.1
253.95547	0.1
280.98965	0.1
287.14911	0.1
321.62607	0.2
393.24030	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	569.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50168	43.2
63.48824	46.1
82.46743	37.8
88.90868	39.9
96.32767	40.4
98.70290	43.9
103.90701	34.6
107.19994	46.8
138.28003	42.2
140.79036	39.0
143.76971	39.1
166.45494	38.6
184.26704	44.5
234.82434	50.7
256.92877	45.3
276.91101	49.2
288.65793	43.3
289.91135	41.1
569.34229	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	570.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
61.98822	4.3
69.28465	6.0
71.01379	1.6
71.15786	1.0
80.05061	1.3
96.96018	2.3
99.92564	2.2
101.02388	1.6
108.04542	8.3
110.06110	2.8
113.02409	1.4
115.92020	1.8
116.92857	10.4
117.92874	1.9
120.04548	100.0
122.06094	7.8
132.04559	2.4
138.05621	14.0
139.04031	6.7
139.90479	1.0
140.04291	1.7
150.05592	38.7
160.04001	1.1
168.06664	39.7
190.05084	2.7
192.06619	2.2
196.66324	1.2
201.33847	1.1
205.08545	1.2
209.10851	1.3
213.10365	3.6
222.07953	3.5
225.06635	3.5
225.10245	2.6
237.06560	1.9
237.10286	16.1
238.07503	4.2
239.08235	3.1
251.08231	3.9
252.05304	2.0
252.08936	1.3
253.09785	11.0
263.08191	2.9
265.06152	9.8
265.09769	3.8
266.06940	17.7
277.06189	1.5
278.06915	3.3
279.07803	5.0
280.08517	5.3
281.09302	87.8
282.09592	3.4
293.09320	33.2
293.12695	1.5
294.06799	1.4
294.09915	3.0
313.11935	16.2
357.10837	3.5
370.11572	1.4
370.15680	1.4
386.14963	1.9
398.11206	1.7
399.12045	1.5
400.16394	1.2
414.14572	5.6
418.17810	3.5
426.14261	1.4
432.15466	1.6
444.15698	11.4
445.15775	1.2
462.10580	1.9
462.16739	21.9
476.18417	10.8
488.14938	6.4
494.19302	37.0
495.19751	2.6
506.15625	30.2
507.15982	2.0
508.21014	3.5
520.17236	20.2
526.22015	13.2
538.18274	81.2
539.18622	4.5
552.20020	5.3
570.20807	22.4
570.29004	5.6
571.12311	1.3
571.21460	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	570.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.05498	0.7
71.61887	0.2
98.22549	0.3
98.87286	0.3
130.35361	0.3
157.04025	0.2
193.42484	0.3
328.95340	0.2
414.48428	0.3
436.63528	0.3
456.22482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24517	0.3
55.01872	0.6
57.03445	0.6
59.01379	21.5
59.44174	0.3
61.81320	0.3
61.98829	2.1
66.76514	0.3
69.03440	0.3
71.01380	10.4
71.05031	0.5
72.52393	0.3
72.99293	0.5
73.02948	3.3
74.14010	0.3
80.72218	0.3
83.01373	0.9
85.02946	3.0
86.06107	0.4
89.02443	7.4
95.01373	0.5
96.04562	0.3
98.03718	0.3
101.02444	7.2
112.07700	0.3
113.02460	2.8
115.04008	4.4
116.92847	2.9
117.92863	0.9
119.03533	2.0
120.01231	0.3
121.06616	3.7
161.04500	0.3
191.05609	0.4
218.23845	0.3
234.15013	1.2
241.62910	0.3
252.16112	0.9
302.21307	0.5
320.22388	0.5
328.22812	1.3
346.20245	0.5
346.23920	2.9
364.24899	3.8
370.15778	0.5
372.21680	0.5
390.22903	3.4
408.23926	6.1
531.39581	0.3
552.28882	0.3
570.29163	100.0
571.29614	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	571.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79692	1.9
52.38453	1.7
59.01374	2.1
67.36034	1.8
70.26665	5.5
71.01378	12.5
74.00074	1.8
79.99280	1.7
88.98793	4.7
91.01894	4.0
96.74372	1.8
96.96010	2.7
98.02477	2.4
108.02173	5.3
108.59432	2.0
112.01738	1.8
115.00366	6.9
123.04520	25.1
130.08749	3.1
137.02402	2.6
145.09773	5.2
147.72195	2.0
152.01169	6.4
167.03496	100.0
168.03868	2.1
184.22279	1.8
191.05554	8.9
213.38826	1.8
283.04617	8.0
536.30811	5.3
571.26746	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	571.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79692	1.9
52.38453	1.7
59.01374	2.1
67.36034	1.8
70.26665	5.5
71.01378	12.5
74.00074	1.8
79.99280	1.7
88.98793	4.7
91.01894	4.0
96.74372	1.8
96.96010	2.7
98.02477	2.4
108.02173	5.3
108.59432	2.0
112.01738	1.8
115.00366	6.9
123.04520	25.1
130.08749	3.1
137.02402	2.6
145.09773	5.2
147.72195	2.0
152.01169	6.4
167.03496	100.0
168.03868	2.1
184.22279	1.8
191.05554	8.9
213.38826	1.8
283.04617	8.0
536.30811	5.3
571.26746	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	571.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
61.65996	0.8
68.09819	0.8
70.32147	2.1
71.01379	18.4
72.15362	1.0
73.02966	1.1
76.07731	0.8
79.95734	1.0
83.05006	1.2
85.02972	1.4
88.98845	1.2
89.02441	2.9
89.24854	0.9
93.03463	3.2
96.95999	6.5
98.21922	1.3
101.02448	1.7
101.06093	2.0
106.00613	2.6
113.02473	3.3
115.00368	7.8
121.02956	29.8
123.00909	1.5
127.04007	1.0
128.08051	0.8
135.04546	1.1
138.03230	2.9
139.03952	1.1
141.09239	3.4
150.35774	0.9
153.05573	25.1
165.66777	1.0
169.08693	12.6
173.04587	1.3
177.09204	1.7
180.36475	1.0
182.02200	3.6
189.09247	2.0
197.04549	100.0
198.04863	1.2
207.10280	7.0
213.07658	7.8
221.08189	4.1
233.08232	1.3
251.09193	3.0
257.06689	3.4
304.35623	1.0
313.05624	6.9
383.13318	3.9
395.13577	1.2
413.14471	6.9
439.12347	1.2
457.13959	1.7
479.98950	1.0
553.61792	1.0
571.16669	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	571.1586
Annotation	Cyclorivulobirin C
Peak:m/z	Relative Intensity
59.01366	7.5
61.98831	13.5
64.72372	2.1
68.33912	1.9
71.01371	5.9
76.09944	2.1
85.02958	4.6
89.02466	4.5
93.03468	3.0
96.53219	1.9
98.22663	5.9
101.02436	4.2
103.39503	2.0
111.00896	2.6
111.04535	2.4
113.02435	2.9
113.06145	1.9
116.92844	4.6
117.91353	2.0
119.85960	2.0
150.40352	1.9
159.90028	1.9
161.04584	2.6
169.06602	2.4
195.14548	2.2
211.07643	90.0
213.52563	2.3
226.12183	2.2
338.11786	2.3
363.20386	10.6
373.12897	27.4
392.55359	2.5
444.90833	2.1
477.27005	8.6
484.58636	2.5
535.31305	5.3
571.15833	100.0
571.28650	14.9
572.15765	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	571.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65091	1.7
59.01381	42.7
61.98830	4.9
62.08131	1.8
69.03489	4.5
69.37965	4.4
69.38347	3.7
71.01380	24.2
72.99298	2.5
73.02956	6.4
75.00842	2.3
83.05037	13.7
84.93837	2.2
85.02956	4.9
85.93357	1.7
88.98823	5.7
89.02450	13.9
93.03465	27.0
95.01411	2.8
95.05027	6.1
96.96010	65.4
97.29832	2.0
98.22742	2.9
98.93899	2.0
99.92589	14.6
100.93364	11.6
101.02431	12.0
101.06076	22.8
104.04983	1.8
108.04562	3.5
113.02449	20.5
114.93411	15.2
115.92078	11.7
116.92862	98.5
117.92875	3.8
119.03489	7.4
127.04008	10.8
132.04559	36.5
133.06606	2.1
134.06136	23.5
135.04547	2.7
139.04019	62.3
142.94482	3.5
145.05057	9.5
147.04547	3.7
158.06053	2.3
161.04500	2.8
165.05576	3.2
176.03508	6.7
179.05579	2.6
180.95395	2.0
184.91771	2.0
188.03526	2.6
189.09212	33.3
190.05121	6.9
191.05565	3.2
207.10257	99.7
208.10530	2.8
223.05957	2.1
229.00249	6.7
233.08159	16.7
251.09273	85.6
251.11870	6.0
255.11340	3.1
279.11365	19.4
295.08142	6.7
295.11142	3.1
314.12314	2.3
323.10223	12.6
395.13193	9.3
413.14529	100.0
414.14941	3.9
435.17822	6.0
439.12466	19.7
446.58533	2.8
455.21945	2.1
457.13312	12.2
459.17725	15.8
467.09921	2.3
475.17325	4.6
485.11353	3.2
503.16730	91.3
509.11151	2.6
517.18262	12.9
527.12463	6.7
535.19287	68.8
553.16254	2.0
571.17719	47.6
571.25024	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	571.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57747	0.9
55.01876	0.9
57.03453	1.1
59.01378	100.0
60.01707	0.9
61.98833	8.5
69.07720	6.0
71.01382	11.1
73.02953	4.2
83.01385	1.7
84.95129	1.2
85.02964	5.2
87.00881	2.3
89.02445	3.7
93.03474	2.2
95.01414	1.3
95.05051	2.1
98.21942	1.8
99.00852	1.1
101.02428	6.5
103.00400	1.7
107.05020	1.4
113.02452	7.9
116.92879	0.8
117.66973	0.9
119.03492	1.8
120.99673	5.2
125.02457	1.0
135.04533	2.4
139.04012	12.5
143.03453	1.0
145.05016	1.0
155.03508	0.9
159.02911	1.5
159.08118	0.9
161.04602	5.6
161.09785	1.2
161.13370	10.0
167.06279	1.0
172.51526	0.8
173.04491	1.3
177.01987	3.6
179.05556	1.5
187.11276	17.3
189.09158	2.1
191.05597	2.8
205.12306	15.7
211.05266	0.9
235.08240	8.3
279.10873	5.0
281.38199	0.8
423.20215	6.1
457.15488	5.3
467.18774	4.1
485.20300	3.0
511.29251	2.8
527.21362	6.7
533.29395	1.3
535.30957	4.4
571.30200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.4
63.11009	1.0
69.49272	2.9
75.08466	1.0
79.67268	1.1
81.71899	0.9
97.71107	1.0
121.02957	3.5
125.02404	1.0
135.04530	10.5
136.05302	23.0
137.02454	1.9
151.03960	1.5
154.48669	0.9
163.04010	14.8
164.03442	1.3
164.04790	21.0
168.04236	1.4
168.56018	0.9
189.05386	1.0
196.08942	6.0
203.85574	1.0
207.15228	1.0
210.06836	1.3
211.07581	2.1
224.08447	8.1
225.05498	2.7
225.09114	1.1
238.06252	1.6
239.07135	2.9
239.10753	12.3
240.07910	87.7
241.08490	1.5
253.08713	3.0
254.09348	3.0
255.10260	53.4
256.10721	1.5
267.06473	1.5
269.11667	1.4
277.08646	1.2
285.07697	1.2
285.11426	2.2
287.12872	14.1
300.09909	2.5
314.11752	1.5
315.12363	100.0
317.10309	2.6
320.10483	1.9
344.10092	1.4
371.09213	4.4
372.09921	6.5
387.12445	16.8
401.13782	1.4
429.88669	1.0
456.15689	1.9
471.18106	3.8
538.19916	11.4
553.22290	50.3
554.22333	3.1
556.21552	1.6
571.23438	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	571.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50904	0.4
59.01374	1.7
61.98826	100.0
71.01379	1.1
71.43272	0.5
89.02444	1.0
90.75741	0.4
101.02444	1.3
113.02447	0.9
121.02956	1.7
125.02442	0.6
131.87521	0.5
137.02510	0.5
139.04022	0.9
156.73952	0.5
191.05672	0.7
297.45877	0.5
347.18585	2.4
349.20270	1.5
361.54010	0.5
364.12592	0.9
457.17542	1.1
485.12711	1.2
509.23898	4.8
535.31268	0.5
571.29126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99215	1.5
59.01377	100.0
61.01767	1.2
61.98829	32.8
63.79562	1.1
68.65854	1.0
71.01373	8.1
73.02939	3.4
81.64473	1.1
82.95414	1.4
84.95134	4.3
85.02956	4.1
89.02450	2.2
93.03457	5.1
100.72792	1.4
101.02442	4.0
113.02454	4.7
116.92846	2.7
125.38156	1.3
135.04517	1.4
137.02460	3.0
139.04007	3.2
161.04491	2.7
161.13322	2.8
161.94920	1.3
167.20995	1.4
173.04614	2.0
175.79344	1.3
187.11253	19.6
189.09264	1.5
191.05629	6.6
201.62625	1.5
205.12326	3.8
209.11787	3.0
235.11876	6.5
247.88840	1.4
300.03485	1.3
423.23770	3.7
483.83801	1.4
485.24026	1.8
499.22531	1.2
511.28995	4.2
527.25232	3.9
529.29932	2.3
571.29175	5.3
596.34174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98505	1.5
61.98831	30.7
71.01375	4.6
73.02949	3.0
85.02944	3.2
89.02471	1.8
93.03460	1.9
96.96021	1.2
101.02441	2.3
107.05064	1.4
113.02461	1.8
118.78024	1.1
131.39439	1.3
135.04512	1.4
139.04019	7.4
140.04361	1.8
161.04614	1.5
161.13396	3.4
173.04500	1.5
187.11250	14.5
190.15527	1.1
191.05664	4.6
205.12335	3.1
209.11765	4.3
235.11882	4.5
249.11397	1.1
287.12842	3.6
423.23843	4.0
467.22607	2.2
485.23727	2.6
489.04346	1.6
511.28857	1.3
527.25085	4.4
527.68451	1.3
571.31451	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	571.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98831	12.7
64.96639	0.9
65.75428	1.0
69.65740	1.0
71.01381	3.8
71.43638	1.1
73.02946	1.9
77.42462	0.8
82.95410	3.3
83.01405	1.5
84.95123	13.6
85.02947	2.5
87.00837	1.2
88.29877	1.0
89.02460	2.0
93.03497	1.0
101.02457	4.7
103.29095	0.8
104.03667	0.8
107.05048	1.2
113.02451	3.2
139.04016	3.3
159.02963	0.8
161.04520	1.9
161.13330	6.4
187.11282	24.1
191.05637	3.2
205.12312	7.9
220.51605	1.0
223.87917	0.8
235.11880	5.7
238.15141	0.8
324.91644	0.9
327.12292	1.0
350.40027	0.9
410.36191	1.0
415.89761	1.1
423.23904	6.9
467.22668	2.7
485.23944	4.1
511.29590	1.1
527.24835	4.6
531.36444	0.9
571.30811	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	571.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
61.98816	1.0
64.09808	0.2
64.88041	0.3
69.15259	1.4
70.76597	0.3
71.01362	0.4
72.89137	0.2
93.68354	0.2
97.27908	0.2
98.21828	0.4
104.89761	0.2
113.02465	0.4
116.92832	0.6
145.08727	0.2
150.08093	0.2
262.82428	0.2
303.19608	2.5
319.09158	0.2
331.19193	0.7
349.20163	100.0
350.20526	2.5
360.99719	0.3
363.21646	1.3
387.05359	0.2
391.21243	4.4
511.25449	2.0
542.98224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.01386	1.5
59.81010	1.3
61.39873	1.2
61.98827	1.3
70.10925	3.3
76.92387	1.2
78.95902	57.3
87.00875	1.9
88.98809	1.5
91.34338	1.0
96.96955	12.6
100.49317	1.0
107.48721	1.1
116.92841	3.9
117.92847	1.9
119.45094	1.3
152.99594	54.2
205.76352	1.3
223.00121	3.4
241.01199	28.3
255.23289	63.9
315.04895	8.5
342.74634	1.3
391.22479	4.7
457.07117	1.4
571.28851	100.0
572.29297	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	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.72651	0.4
55.64862	0.4
56.38694	0.4
59.01390	0.5
61.98829	0.5
78.22623	0.4
78.95902	55.5
81.04513	0.4
83.14758	0.4
88.51639	0.4
96.96960	12.4
98.22725	0.7
105.32365	0.4
150.97968	0.6
152.99583	54.4
171.00594	0.7
191.57802	0.4
201.93568	0.4
223.00128	1.9
241.01180	30.9
245.31871	0.5
245.35205	0.4
255.23279	71.3
256.23526	1.2
256.46149	0.4
259.02316	0.9
315.04843	8.8
334.94006	0.5
384.60086	0.4
391.22485	4.7
571.28845	100.0
572.29352	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	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.6
62.36283	0.7
62.69282	0.7
69.21307	3.4
71.01382	9.3
73.02932	3.2
78.60168	0.8
83.01376	1.7
85.02968	4.0
86.54475	0.7
87.00871	1.7
89.02440	4.4
95.01385	0.9
95.05027	1.6
99.00881	1.2
101.02434	9.7
104.85439	0.7
110.49715	0.7
111.04468	1.0
113.02437	4.7
113.06062	2.7
115.03990	1.0
119.03515	1.6
125.02419	0.9
139.04016	25.7
140.04309	0.8
143.03542	1.1
155.03517	1.6
159.02965	2.8
161.04572	3.3
165.09364	0.8
179.05901	0.7
201.04062	8.4
201.11285	0.8
201.14940	2.5
217.14580	0.9
235.65831	0.8
250.77382	0.7
333.19293	3.7
363.20224	100.0
364.20755	3.1
517.30170	1.7
535.31207	9.2
571.28894	26.8
572.29236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63955	0.4
59.01379	35.1
61.98819	1.6
69.98827	0.5
71.43330	0.5
72.84603	0.4
74.44316	0.4
80.02675	0.6
81.03474	0.8
83.05019	3.7
84.02167	0.6
95.05025	0.6
123.32729	0.4
125.06086	0.6
125.09733	0.7
135.08130	0.6
139.03990	0.7
142.59749	0.4
163.11295	2.6
165.12834	2.1
171.10269	4.3
181.12315	0.4
189.06300	0.4
191.10754	0.5
209.11827	100.0
210.12189	1.9
211.13588	0.5
227.12917	11.6
247.13380	1.4
265.14401	0.7
401.23160	0.5
419.24609	0.5
449.25626	0.9
475.27017	1.1
493.28006	1.0
511.28940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.4
60.01732	0.7
61.98832	2.5
71.01385	1.5
72.01723	0.4
73.02940	0.5
75.45596	0.5
84.93861	1.4
85.02948	0.7
87.00857	1.2
93.03485	0.8
96.96031	2.3
98.95604	1.2
99.92577	14.3
100.93362	8.6
101.02458	1.1
109.93385	0.6
111.00883	1.2
113.02464	1.0
114.94936	0.8
115.92075	13.9
116.92857	100.0
117.92860	1.9
126.94978	1.2
137.02437	0.6
139.04022	3.7
140.04332	0.8
140.92862	1.3
141.93660	1.3
142.94395	3.1
155.03517	1.1
156.92393	0.5
158.93874	1.0
161.04643	0.6
165.23882	0.5
168.95978	0.7
170.93858	1.0
174.93411	0.5
184.91832	2.6
184.95444	0.5
185.92636	1.4
186.93515	0.6
187.11205	0.9
191.05679	0.7
196.95503	1.4
201.11348	1.1
209.11835	8.2
212.00661	0.6
224.68410	0.5
226.96471	2.4
227.12724	0.9
227.97186	0.8
242.96021	0.8
244.97610	5.1
255.00064	0.5
262.98547	0.7
274.89731	0.5
304.99286	0.6
394.44919	0.6
468.03699	2.5
486.04947	2.8
498.05450	0.9
510.04962	1.9
528.06299	2.7
536.02893	1.6
572.04999	8.0
572.32593	0.7
573.05292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.4
60.01732	0.7
61.98832	2.5
71.01385	1.5
72.01723	0.4
73.02940	0.5
75.45596	0.5
84.93861	1.4
85.02948	0.7
87.00857	1.2
93.03485	0.8
96.96031	2.3
98.95604	1.2
99.92577	14.3
100.93362	8.6
101.02458	1.1
109.93385	0.6
111.00883	1.2
113.02464	1.0
114.94936	0.8
115.92075	13.9
116.92857	100.0
117.92860	1.9
126.94978	1.2
137.02437	0.6
139.04022	3.7
140.04332	0.8
140.92862	1.3
141.93660	1.3
142.94395	3.1
155.03517	1.1
156.92393	0.5
158.93874	1.0
161.04643	0.6
165.23882	0.5
168.95978	0.7
170.93858	1.0
174.93411	0.5
184.91832	2.6
184.95444	0.5
185.92636	1.4
186.93515	0.6
187.11205	0.9
191.05679	0.7
196.95503	1.4
201.11348	1.1
209.11835	8.2
212.00661	0.6
224.68410	0.5
226.96471	2.4
227.12724	0.9
227.97186	0.8
242.96021	0.8
244.97610	5.1
255.00064	0.5
262.98547	0.7
274.89731	0.5
304.99286	0.6
394.44919	0.6
468.03699	2.5
486.04947	2.8
498.05450	0.9
510.04962	1.9
528.06299	2.7
536.02893	1.6
572.04999	8.0
572.32593	0.7
573.05292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54692	0.3
54.53500	0.3
60.52617	0.3
61.98827	100.0
67.19447	0.3
71.01387	0.4
71.43417	0.4
79.71752	0.3
90.39961	0.4
135.27698	0.3
174.18800	0.3
191.05707	0.7
266.59775	0.3
300.76016	0.3
349.20190	1.2
350.20572	2.0
512.26434	0.4
516.82056	0.4
519.75562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.4
61.98830	100.0
71.01381	3.9
85.02964	1.2
89.02438	5.0
93.03419	0.6
96.96037	0.6
98.07320	0.5
101.02448	3.1
103.00430	0.6
103.01476	0.9
113.02477	2.7
119.03529	1.8
162.59137	0.4
173.04523	0.5
179.05626	2.0
217.14377	0.5
220.79475	0.5
253.53938	0.5
303.19733	1.5
329.17563	3.1
337.60886	0.5
347.18616	24.7
389.19766	2.1
509.23892	43.2
510.24472	1.5
536.31152	0.6
572.21014	2.1
572.29364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16012	0.2
61.98827	100.0
98.21867	0.4
247.64043	0.2
280.90454	0.2
479.59225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55059	0.5
59.01377	1.2
61.98829	100.0
62.85184	0.6
127.87098	1.1
128.87846	1.8
156.89299	0.6
158.88863	4.1
253.09500	0.7
275.20090	0.8
293.21313	2.1
436.79813	0.6
522.46368	0.5
572.07196	6.7
573.06757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	13.3
61.98829	98.8
69.76379	2.4
69.76729	5.7
71.01378	3.3
81.35953	1.7
84.69662	1.8
85.09872	1.8
89.02441	3.1
101.02437	4.3
106.03945	1.9
137.02460	2.4
161.04593	2.1
178.88110	1.6
179.14517	1.9
195.13864	7.6
209.11769	1.7
210.12289	2.3
223.13326	2.3
253.09270	37.8
257.73975	1.9
275.20120	4.7
293.21231	100.0
294.21524	2.4
400.14328	2.2
416.26535	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61449	1.7
71.01378	15.0
78.07402	0.5
96.95961	0.6
99.05694	0.6
109.02916	0.8
109.18831	0.5
115.00367	9.0
121.02950	100.0
122.03228	1.5
125.02428	1.2
135.04533	1.9
161.02534	1.0
179.03419	0.8
183.56276	0.7
198.74272	0.7
208.69942	0.7
224.19717	0.6
237.03987	15.5
237.06308	0.8
238.04256	0.7
285.03833	1.1
335.07941	1.3
384.28690	0.6
573.10004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18576	0.9
71.01382	15.0
71.30111	2.0
71.60317	1.0
80.52048	1.1
84.88217	1.2
86.95787	1.0
91.01891	6.0
108.02181	5.8
115.00384	8.0
117.45969	1.0
121.02932	2.4
123.04514	23.2
125.02428	1.7
152.01149	5.1
153.44817	1.2
166.23720	1.0
167.03487	100.0
168.03780	2.0
172.15121	1.0
212.71646	1.0
279.13052	1.0
283.04498	5.9
366.36526	1.0
573.10364	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	573.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98815	0.5
69.35048	0.8
71.01389	1.1
72.99308	0.3
74.88651	0.3
78.91690	0.2
83.93039	0.2
84.93868	2.0
89.02444	0.7
96.96024	1.5
98.22614	0.5
98.95599	0.7
99.92587	11.9
100.93361	13.5
101.02447	0.6
101.93365	0.3
103.00389	0.6
113.02462	0.8
114.93416	0.3
114.94935	0.4
115.92078	16.3
116.92860	100.0
117.92865	1.6
117.93614	0.5
126.94938	0.4
128.92853	0.3
139.04021	0.4
140.92841	0.6
141.93633	1.0
142.94456	1.2
143.03479	0.3
156.92374	0.9
158.93930	0.9
163.03990	0.3
167.95180	0.3
174.93465	0.2
179.70554	0.2
183.94684	0.7
184.91866	2.8
184.95529	0.4
185.92668	0.4
196.95467	0.4
207.10234	0.4
226.96510	0.3
230.55928	0.3
259.96280	0.3
298.31082	0.3
301.97302	0.3
451.10794	1.6
469.11749	1.2
475.10849	0.3
487.12653	2.7
493.11987	1.3
499.12521	0.4
511.12662	1.9
529.13818	5.9
530.14124	0.5
537.10242	0.6
573.12750	23.2
574.12976	0.9
589.19727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98815	0.5
69.35048	0.8
71.01389	1.1
72.99308	0.3
74.88651	0.3
78.91690	0.2
83.93039	0.2
84.93868	2.0
89.02444	0.7
96.96024	1.5
98.22614	0.5
98.95599	0.7
99.92587	11.9
100.93361	13.5
101.02447	0.6
101.93365	0.3
103.00389	0.6
113.02462	0.8
114.93416	0.3
114.94935	0.4
115.92078	16.3
116.92860	100.0
117.92865	1.6
117.93614	0.5
126.94938	0.4
128.92853	0.3
139.04021	0.4
140.92841	0.6
141.93633	1.0
142.94456	1.2
143.03479	0.3
156.92374	0.9
158.93930	0.9
163.03990	0.3
167.95180	0.3
174.93465	0.2
179.70554	0.2
183.94684	0.7
184.91866	2.8
184.95529	0.4
185.92668	0.4
196.95467	0.4
207.10234	0.4
226.96510	0.3
230.55928	0.3
259.96280	0.3
298.31082	0.3
301.97302	0.3
451.10794	1.6
469.11749	1.2
475.10849	0.3
487.12653	2.7
493.11987	1.3
499.12521	0.4
511.12662	1.9
529.13818	5.9
530.14124	0.5
537.10242	0.6
573.12750	23.2
574.12976	0.9
589.19727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21441	0.5
53.76628	0.6
54.44379	0.6
56.07932	0.5
59.01377	100.0
61.98840	1.4
64.73788	0.6
69.03468	1.0
69.20895	3.4
71.01382	17.7
73.02946	34.2
77.38171	0.6
81.03468	0.7
83.01380	8.1
85.02949	3.9
87.00854	1.0
89.02430	5.1
93.03473	1.1
98.22659	1.1
99.00916	0.5
101.02441	23.9
105.17187	0.5
109.63962	0.6
113.02444	9.2
115.61505	0.5
119.03462	2.6
120.61832	0.5
121.51102	0.5
125.02480	1.1
131.03462	3.3
136.05061	0.6
143.03545	1.8
149.04605	2.2
155.03516	1.2
161.04570	4.9
161.05771	0.8
191.05688	1.6
219.06573	1.3
227.07076	0.6
236.72011	0.6
251.38164	0.5
253.04823	0.6
351.08875	1.1
427.61142	0.7
573.38123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03445	0.6
58.00593	0.4
59.01377	100.0
61.98834	0.4
62.17131	0.2
63.69540	0.2
67.06899	0.3
69.03452	1.2
71.01379	18.8
72.99311	0.5
73.02944	46.5
75.00867	0.6
82.95428	1.2
83.01385	8.4
85.02947	4.9
87.00873	0.8
89.01929	0.4
89.02443	6.0
91.01870	0.2
93.03442	0.4
95.01397	1.3
97.02934	0.8
99.00883	0.3
101.02439	27.8
113.02446	12.3
119.03487	2.6
125.02440	1.1
131.03505	3.0
134.07031	0.2
139.03969	0.6
143.03508	1.9
149.04564	2.4
155.03429	0.8
161.04567	5.8
187.03859	0.2
202.02718	0.4
203.05597	0.4
219.06618	1.5
221.06592	0.6
275.06815	0.2
329.75302	0.2
343.68341	0.3
351.08408	0.6
400.37637	0.3
458.44266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46104	0.5
55.46720	0.4
59.01373	2.0
61.98820	0.7
64.35439	0.4
65.03937	0.6
67.01900	3.4
69.03458	1.2
71.01390	2.0
72.53077	0.4
73.02951	0.7
81.03472	2.0
83.01382	0.5
83.05035	4.6
85.02968	1.2
87.00876	2.0
89.02431	0.6
89.03987	1.4
91.05517	0.5
93.03458	25.0
97.02968	0.5
99.00906	0.4
106.37763	0.4
108.02162	0.5
109.02940	1.9
111.00881	2.0
111.04520	16.6
113.02438	0.5
117.03468	4.1
119.05025	0.6
121.02958	5.7
123.04564	0.6
127.04024	2.2
132.02173	3.0
133.02943	0.8
134.03740	39.1
135.04512	1.4
137.02440	19.4
147.00909	0.8
147.04498	2.8
149.02443	38.5
149.06064	3.8
155.03505	40.4
160.01659	16.7
160.03001	0.6
163.03998	1.4
164.04791	31.7
173.04549	100.0
175.00389	5.1
175.04005	19.1
176.04333	0.5
177.01965	0.9
178.02725	1.5
179.07124	2.7
190.02721	14.2
191.05615	0.9
193.01381	1.1
193.05058	27.2
205.05049	17.2
207.02921	0.6
208.03746	1.5
210.06827	0.7
223.06114	32.8
240.07874	0.6
267.80676	0.4
269.08240	0.8
273.11374	0.5
305.10373	0.8
313.07092	0.6
334.06940	0.9
335.11401	0.5
349.09268	46.7
350.09637	1.2
364.07901	1.2
367.10318	16.8
379.10336	53.6
380.10590	1.4
397.11429	1.4
470.94180	0.5
573.16150	29.6
574.16364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	81.7
61.98831	57.0
69.37274	24.5
70.47438	40.3
71.01374	78.3
89.02449	60.4
96.96013	28.3
97.02946	27.0
111.04512	32.1
116.77209	25.4
129.05592	39.0
135.04605	35.3
140.14174	22.8
150.03229	62.9
151.03983	44.7
165.05582	100.0
179.07042	27.9
191.05693	27.1
195.06624	80.3
327.12424	71.2
348.18497	29.7
349.18585	81.3
357.13171	51.7
375.14517	85.2
393.17230	37.6
411.10489	66.8
513.29144	88.4
537.19904	30.8
573.16669	77.9
573.30530	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08792	1.7
59.01380	5.0
61.98830	32.7
69.19519	3.3
69.19917	6.3
71.01379	3.7
82.95406	2.8
83.05013	1.9
85.02940	3.0
87.00911	2.9
89.02423	3.0
99.24571	1.8
101.02438	2.0
130.94348	1.9
161.04608	2.8
173.04564	2.5
191.05614	3.1
213.09213	40.2
290.22726	2.2
363.68573	1.9
375.14572	15.5
471.90347	1.9
508.98526	3.1
510.24130	3.6
537.33167	4.2
573.17493	100.0
573.29572	8.5
574.17780	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	573.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
62.29781	0.2
69.19521	0.6
71.01379	0.5
73.02974	0.2
89.02446	0.2
95.05045	0.3
101.02468	0.2
107.05003	0.3
113.02446	0.6
118.61620	0.2
127.43507	0.1
134.03737	1.1
135.04523	100.0
136.04852	1.3
139.04008	2.3
140.04359	0.2
141.04657	0.2
161.04555	0.2
165.05716	0.2
297.09778	37.4
298.10077	1.2
459.15533	0.2
573.18890	0.3
573.30652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52750	0.7
59.01371	3.2
61.98816	2.4
62.23888	0.7
67.69928	0.7
69.31438	0.7
69.31722	3.8
71.01386	0.9
76.38859	0.7
88.21694	0.7
93.03463	2.3
101.02447	1.3
106.04242	29.7
106.45461	0.9
119.01365	2.1
121.02926	1.6
134.03769	1.4
137.02484	1.0
138.03218	2.0
146.07382	0.7
147.00859	1.4
149.02423	4.6
150.03221	3.8
155.03499	1.1
161.02388	1.8
161.09721	50.0
162.10030	1.1
164.04790	4.4
173.04539	4.1
175.00363	12.8
175.03979	1.6
176.01091	2.8
182.02161	0.9
190.02705	29.4
191.03468	3.8
191.05521	1.3
193.05042	1.0
205.05116	23.4
205.08682	100.0
206.08971	1.7
209.04471	1.5
219.10165	4.3
223.06120	5.0
251.05492	0.9
349.09174	1.0
353.08755	7.6
354.05533	0.9
367.10312	37.9
368.10635	1.0
379.10239	0.9
573.19885	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	573.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00168	1.3
59.01377	100.0
61.98824	1.4
71.01372	5.8
73.02956	2.2
73.12675	1.2
81.03460	1.8
85.02944	3.0
89.02410	2.3
95.05019	4.5
101.02437	6.2
113.02460	3.6
113.06086	5.5
115.04041	2.3
135.04515	1.5
139.04010	48.4
157.05095	1.5
159.03008	4.1
159.11803	2.0
161.04539	4.8
161.13350	10.3
187.11282	22.4
201.04050	18.6
205.12329	13.7
213.91721	1.2
218.40628	1.1
237.09811	11.7
237.82568	1.5
247.55861	1.1
263.45291	1.2
281.12390	2.4
333.15598	1.6
400.07330	1.2
425.21860	8.7
469.20306	3.0
487.22076	3.0
529.22729	7.4
573.26239	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	573.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	1.4
71.01386	4.5
73.02937	1.5
85.02934	2.0
88.98792	1.3
89.02444	1.3
95.01346	1.1
95.05018	1.2
100.60661	0.8
101.02459	4.8
103.00401	1.2
113.02442	2.1
116.92856	1.4
119.03502	0.9
139.04004	10.3
147.40590	1.3
161.04529	3.9
161.09792	0.9
161.13368	6.8
187.11279	19.8
201.04099	2.4
205.12349	10.8
231.28328	1.0
237.09802	13.6
257.27191	1.1
259.65311	0.9
373.13333	0.9
376.13873	0.8
425.21808	8.3
451.19217	1.0
459.22226	2.7
469.20770	4.3
487.21780	4.1
487.32309	1.0
529.22894	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	573.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03446	1.0
58.92139	0.4
59.01379	7.5
67.05529	1.2
68.99529	0.6
68.99858	0.6
69.03459	1.1
70.23341	0.8
70.23682	0.4
71.01373	3.8
71.05011	0.9
73.02943	2.1
81.03432	0.5
83.01371	0.6
83.05043	0.5
84.41573	0.4
85.02919	1.7
87.00864	3.6
87.04521	0.9
89.02443	2.0
93.03480	0.8
93.67698	0.4
95.01365	0.4
95.05022	6.7
96.96022	0.8
101.02442	2.9
107.05022	1.2
109.02926	0.6
111.00882	3.4
111.04524	4.6
112.98584	0.8
113.02442	4.1
113.06086	16.8
115.04009	8.3
116.92841	0.9
119.03525	1.0
129.05582	4.5
131.03506	2.3
135.04494	0.7
137.02475	0.4
139.04010	100.0
140.04340	2.8
141.04483	0.5
153.03046	1.6
155.03497	6.9
157.01408	0.9
157.03833	0.7
157.05061	8.7
159.02991	9.7
160.19226	0.4
161.04536	0.7
168.04257	0.4
179.05684	0.6
183.06593	1.0
184.45152	0.4
191.05643	0.8
191.57632	0.3
199.02357	0.5
201.04042	51.1
202.04385	1.4
217.00266	1.1
217.14519	0.5
319.17703	0.8
341.09134	0.4
351.21613	0.4
363.20224	4.4
395.80615	0.4
459.15237	0.4
487.18073	0.5
513.27264	0.5
521.86273	0.4
535.31012	1.4
537.32861	2.2
555.24286	1.5
573.13629	0.4
573.29761	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03446	1.0
58.92139	0.4
59.01379	7.5
67.05529	1.2
68.99529	0.6
68.99858	0.6
69.03459	1.1
70.23341	0.8
70.23682	0.4
71.01373	3.8
71.05011	0.9
73.02943	2.1
81.03432	0.5
83.01371	0.6
83.05043	0.5
84.41573	0.4
85.02919	1.7
87.00864	3.6
87.04521	0.9
89.02443	2.0
93.03480	0.8
93.67698	0.4
95.01365	0.4
95.05022	6.7
96.96022	0.8
101.02442	2.9
107.05022	1.2
109.02926	0.6
111.00882	3.4
111.04524	4.6
112.98584	0.8
113.02442	4.1
113.06086	16.8
115.04009	8.3
116.92841	0.9
119.03525	1.0
129.05582	4.5
131.03506	2.3
135.04494	0.7
137.02475	0.4
139.04010	100.0
140.04340	2.8
141.04483	0.5
153.03046	1.6
155.03497	6.9
157.01408	0.9
157.03833	0.7
157.05061	8.7
159.02991	9.7
160.19226	0.4
161.04536	0.7
168.04257	0.4
179.05684	0.6
183.06593	1.0
184.45152	0.4
191.05643	0.8
191.57632	0.3
199.02357	0.5
201.04042	51.1
202.04385	1.4
217.00266	1.1
217.14519	0.5
319.17703	0.8
341.09134	0.4
351.21613	0.4
363.20224	4.4
395.80615	0.4
459.15237	0.4
487.18073	0.5
513.27264	0.5
521.86273	0.4
535.31012	1.4
537.32861	2.2
555.24286	1.5
573.13629	0.4
573.29761	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41673	0.7
51.26216	0.8
52.50665	0.7
59.01377	67.3
61.22705	0.8
61.98822	1.4
67.94862	0.7
71.01379	37.7
71.94172	0.7
72.99276	0.8
73.02950	4.0
83.01375	1.8
85.02956	4.5
87.00896	1.1
89.02439	55.5
95.01382	2.6
101.02438	17.3
104.24055	0.7
113.02444	17.5
119.03497	23.0
125.02462	1.3
131.03510	3.8
143.03508	6.5
149.04582	2.7
161.04567	9.2
179.05603	47.3
183.06754	1.1
218.35475	0.8
252.21579	0.8
283.02521	1.1
287.20236	3.1
289.21799	0.9
305.21161	2.8
307.22836	1.0
333.20688	5.8
351.21732	100.0
352.22003	2.8
395.36530	0.9
573.10620	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	573.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.1
59.01377	19.9
61.98838	0.7
71.01385	0.3
87.00884	0.2
89.02447	0.3
93.03443	0.2
101.02435	0.7
103.19073	0.1
113.02483	0.4
119.03525	0.3
128.03557	0.2
128.56830	0.1
140.89641	0.2
152.01181	0.2
158.16589	0.1
161.04541	0.2
165.16304	0.1
167.03494	0.2
191.05621	0.4
218.72052	0.2
239.23933	0.2
285.04126	0.2
285.18439	0.2
287.20172	0.4
295.09921	0.2
303.26453	0.1
305.21405	0.2
333.20789	0.5
351.21732	100.0
352.22061	2.4
365.23401	0.8
393.22858	0.8
420.69635	0.1
513.27026	2.6
529.18304	0.2
551.79779	0.2
573.29144	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	573.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63360	1.6
57.03428	1.9
59.01374	36.3
61.82339	1.5
61.98835	11.6
69.03456	2.9
71.01380	19.3
72.78510	1.7
73.02944	7.6
82.18608	1.6
82.95371	2.2
83.01384	2.9
84.23679	2.0
85.02950	6.1
86.76292	1.6
87.00878	2.6
88.98831	1.8
89.02451	16.8
90.61092	1.5
90.96853	1.7
93.03439	2.7
95.05035	5.0
96.96006	7.8
99.04559	1.9
99.92563	9.1
100.38047	1.5
100.93371	7.1
101.02438	13.5
108.61353	1.9
113.02443	13.7
115.92057	7.9
116.92860	62.6
119.03477	5.1
119.05119	1.7
123.04470	3.0
131.03526	2.2
135.04510	2.9
137.02463	3.6
139.04016	41.9
140.04349	3.2
143.03427	2.9
147.40727	1.5
151.03975	2.2
159.02733	1.6
161.04587	6.6
161.09644	1.9
179.05609	5.9
191.05623	4.9
195.06459	1.6
205.08644	3.3
237.07753	2.3
262.54877	1.6
291.12567	2.3
328.26086	2.0
351.21542	2.6
363.15546	1.8
411.16467	12.6
469.11539	3.0
475.31403	1.5
487.12747	2.2
511.12924	2.0
529.14148	2.6
535.30804	3.0
537.32867	33.4
549.82214	1.8
573.12408	15.2
573.30542	100.0
574.30640	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	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39322	0.6
56.74538	0.8
59.01379	13.3
61.98818	2.2
70.97277	0.9
71.01365	2.9
73.02956	0.8
78.95908	3.9
89.02458	1.2
96.96008	2.1
101.02440	1.8
102.22338	0.7
113.02435	1.6
136.80023	0.6
137.02480	0.9
143.03470	0.7
152.99625	1.6
161.04474	1.3
235.08096	1.2
253.09277	11.6
254.09494	4.7
269.11792	3.6
277.21722	100.0
278.22104	3.4
297.11166	1.0
299.09671	0.7
338.95181	0.7
388.77164	0.8
513.22119	0.8
573.22986	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	573.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.9
60.04726	0.3
62.01218	0.2
71.01383	3.0
72.65513	0.2
73.02938	0.9
78.95898	0.2
83.01368	0.3
85.02943	0.8
87.00874	0.4
89.02439	2.9
95.01392	0.3
96.71677	0.2
96.96008	0.4
101.02428	3.2
113.02443	1.6
119.03494	0.9
133.05049	0.4
143.03520	0.5
157.05016	0.3
161.04556	1.3
179.05615	0.3
233.22772	0.3
235.08247	2.0
252.77397	0.2
253.09265	15.1
254.09665	0.4
275.20065	0.3
277.21707	100.0
278.22107	2.5
365.42889	0.3
532.21191	0.2
550.73792	0.2
572.40143	0.3
573.39954	0.4
592.75983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
58.00592	0.4
59.01377	100.0
60.01671	0.3
61.98831	1.5
67.63691	0.2
69.03448	0.7
69.39623	1.4
71.01382	17.6
71.04990	0.3
72.99316	0.7
73.02944	4.8
75.00881	0.3
82.95435	0.9
83.01382	2.5
84.02184	0.5
85.02950	10.0
86.00114	0.7
87.00875	2.0
89.02446	4.1
93.03452	0.6
95.01376	2.7
95.23064	0.3
97.02951	1.8
97.06591	0.3
98.21843	0.5
99.00874	1.6
99.04486	0.3
101.02448	7.4
108.02188	0.8
109.02979	0.3
111.00888	0.7
112.01682	0.6
113.02452	10.2
115.04035	0.4
116.92870	0.4
119.03491	1.5
119.05056	0.3
120.50906	0.3
121.02960	0.4
122.03744	0.3
124.01699	0.5
125.02436	1.8
127.11339	1.4
135.04523	1.2
136.01628	0.3
137.02428	0.5
137.09718	0.3
139.04007	1.8
143.03523	2.4
147.04639	0.4
149.04555	0.3
153.12817	1.4
159.02966	0.3
161.04541	0.9
163.04027	0.3
169.05734	0.3
169.12312	1.7
170.12604	0.3
171.13921	2.4
179.03465	0.6
189.05614	0.4
191.05548	0.5
191.07156	0.4
200.14157	0.7
201.14989	0.3
213.11307	3.0
219.06499	0.3
229.35822	0.3
247.40512	0.3
307.26306	0.5
312.65314	0.3
325.27567	0.6
326.44437	0.2
331.17664	0.7
334.98694	0.3
336.80231	0.3
340.09525	0.6
344.18497	0.4
351.25351	3.1
353.27054	0.3
367.24881	0.5
369.09781	4.0
369.26459	7.1
411.27356	1.0
418.30731	0.3
453.29388	0.4
465.28766	0.8
477.28571	0.5
483.29581	1.1
495.29739	1.9
513.30658	92.3
514.31061	4.2
531.31732	31.5
532.31915	1.4
555.31860	4.0
573.32916	6.2
574.32489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
58.00580	0.5
59.01377	97.0
60.01710	0.3
61.98831	1.6
69.03462	1.2
70.96470	0.4
71.01379	14.8
71.05019	0.8
72.99294	0.8
73.02943	5.3
73.49589	0.3
75.00881	0.5
81.03457	0.5
82.95409	1.4
83.01384	4.2
83.05041	0.4
85.02952	9.3
85.06561	0.5
86.00097	1.1
87.00867	2.8
89.02471	2.0
93.03436	0.7
95.01379	1.8
95.05061	0.3
97.02927	1.6
99.00878	1.6
101.02446	8.6
111.00888	1.2
111.04507	0.7
111.08172	0.7
112.01667	1.4
113.02449	6.7
115.04021	0.6
116.92870	0.5
119.03484	0.4
123.08167	0.4
124.01665	1.2
125.02445	2.4
125.09663	1.8
127.11295	0.4
129.01872	0.3
139.04007	1.2
139.07697	0.3
139.11281	1.0
141.09215	4.4
143.03508	3.2
155.03519	0.4
155.14415	0.5
155.81351	0.3
159.03026	0.5
161.04610	0.6
171.13907	0.5
173.04587	0.5
183.13834	0.4
185.15508	2.2
197.15521	0.8
199.17006	3.2
209.11838	1.1
209.15544	0.3
210.12016	0.3
211.16978	0.4
213.11201	0.3
227.16493	0.4
229.17970	0.6
273.50305	0.3
281.24823	1.1
325.27505	1.1
332.41406	0.3
343.21292	0.4
351.25278	0.4
369.26419	8.8
411.27481	0.9
425.28958	0.3
465.28644	1.2
477.28476	0.8
479.97766	0.3
483.29700	1.2
495.29630	2.6
509.89392	0.4
513.30652	100.0
514.30896	4.1
531.31738	47.1
532.31958	1.8
555.31683	2.4
573.32806	16.5
574.33221	0.4
599.54010	0.3
600.26196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.7
59.01365	3.7
64.31933	1.5
69.35082	7.0
79.14547	1.5
81.61900	1.3
109.02956	1.5
125.02415	2.2
131.05031	8.4
133.06592	100.0
146.06140	2.8
159.04523	11.1
161.23332	1.2
162.24361	1.3
163.23582	1.2
164.90988	1.2
177.01936	1.4
177.05542	5.7
178.89423	1.4
182.49896	1.4
203.03493	5.5
221.04544	68.8
242.61720	1.5
243.03000	1.9
312.82559	1.3
351.21591	5.0
352.21909	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	574.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02603	0.9
50.99736	1.0
58.02970	6.3
59.01381	2.0
61.98825	1.7
70.77638	1.7
71.01381	1.4
74.02474	15.1
82.02938	0.9
83.65437	0.9
84.04566	0.8
86.02482	6.3
86.06098	1.3
87.00875	1.0
87.05653	2.0
88.98860	1.0
92.12142	1.0
93.03448	1.1
96.95970	1.1
97.04055	1.7
99.05639	14.2
101.07226	2.5
102.05592	2.3
105.01902	1.2
109.04124	1.9
111.04482	1.1
127.05134	1.2
128.03545	44.9
135.05643	2.9
141.06744	1.5
143.04625	59.7
145.06161	2.8
146.04547	4.9
149.02429	1.4
153.06685	1.3
166.09866	2.8
167.04594	3.5
172.11876	1.0
173.04529	3.1
174.04826	1.5
179.04610	10.4
181.06267	1.1
185.05673	1.9
191.05684	1.6
191.28716	1.0
197.05621	1.7
199.95564	1.0
210.08801	10.4
214.14098	1.0
223.06010	1.2
244.09662	1.1
253.08832	2.2
254.07845	23.2
272.08878	100.0
285.05875	17.0
286.06683	47.1
287.07034	1.5
301.09027	24.9
480.60001	1.3
484.16235	5.4
574.16913	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	574.244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.7
62.96403	0.5
71.42455	0.6
78.95900	14.9
79.95740	2.6
93.88602	0.4
96.96007	100.0
107.90665	0.5
122.00140	0.9
136.93242	0.6
140.01180	1.4
146.79869	0.5
152.99597	1.1
178.94217	2.3
194.89981	0.4
196.03833	3.9
214.04890	0.6
279.23291	22.3
280.23630	0.6
294.00571	0.6
312.01611	0.7
399.16129	1.2
442.43469	0.6
476.27808	7.4
574.25354	5.6
578.00165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03650	0.2
58.98749	0.2
59.01371	0.4
61.98829	100.0
65.19888	0.2
69.28792	1.2
87.90034	0.2
104.30815	0.2
110.99197	0.2
119.36018	0.2
125.87280	0.2
146.06187	0.4
191.05716	0.3
291.27704	0.2
352.21158	0.4
448.07861	0.4
574.10590	0.4
596.31970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
59.32085	0.1
61.98829	100.0
67.11471	0.1
69.13405	0.1
172.00298	0.1
391.12811	0.1
461.87781	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	574.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81974	0.6
54.11123	0.6
54.39050	0.5
59.01369	2.1
61.98827	100.0
64.03416	0.6
71.01363	1.3
93.03453	0.6
95.12970	0.7
100.13625	0.7
137.02501	1.2
253.09473	0.7
293.21219	0.8
370.29770	0.8
381.09073	0.7
447.32077	0.6
532.35284	1.2
574.35968	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	575.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13168	0.2
59.01361	1.3
61.98824	0.6
69.42609	0.2
69.47505	0.9
70.49663	0.3
71.01387	0.5
72.43376	0.2
73.02920	0.2
82.31837	0.2
82.95419	2.5
84.93862	1.2
96.96023	1.3
98.95596	1.3
99.92582	13.6
100.92680	0.3
100.93361	8.5
101.02438	0.3
103.00384	0.4
114.93418	0.3
114.94913	0.4
115.92077	13.8
116.92860	100.0
117.92871	1.5
117.93629	0.6
124.93430	0.3
137.02452	0.3
140.92860	0.4
141.93605	0.7
142.94440	2.9
149.02496	0.3
154.94423	0.3
156.92346	0.8
158.84686	0.3
158.93948	0.7
161.02455	0.3
169.93172	0.3
170.93968	0.4
173.92578	0.4
174.93413	0.8
184.91837	1.9
184.95483	0.6
185.92522	0.4
186.93353	0.4
191.05704	0.4
196.95453	0.4
224.95020	0.3
225.09183	0.9
226.96300	0.3
227.10742	2.5
232.49551	0.3
242.96078	1.3
284.97134	0.6
285.97488	0.4
288.43463	0.3
311.03735	0.7
341.01212	0.3
343.02798	1.1
379.11383	0.4
453.06384	1.1
471.07440	3.4
489.08517	3.7
501.08569	0.9
513.08411	2.9
531.09583	4.8
539.06683	0.4
557.07568	0.4
575.08630	11.4
576.08893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1194
Annotation	Proanthocyanidin A1
Peak:m/z	Relative Intensity
54.69995	0.6
55.19193	0.6
57.03447	3.4
59.01366	2.0
61.98826	5.5
65.46465	0.6
69.03432	1.5
70.02813	0.6
71.01379	1.7
79.01856	0.6
81.03448	1.5
83.01383	3.7
85.02968	0.8
89.93555	0.6
93.03442	2.5
95.05036	1.0
96.96014	2.4
97.02956	1.6
99.04517	1.5
101.02450	0.9
101.85011	0.6
107.81232	0.6
108.02186	1.0
109.02948	6.2
111.85210	0.6
112.04053	0.7
113.02469	1.5
119.05001	0.7
121.02953	1.9
122.03717	5.4
123.00823	0.7
123.04512	5.8
124.01661	0.8
125.02439	22.0
133.02954	1.6
135.04524	1.3
137.02441	18.9
139.03999	1.7
143.05058	0.7
145.02980	1.0
146.03679	1.0
147.04518	2.0
149.02466	2.5
150.03230	0.8
151.03987	2.8
154.02756	0.8
159.04480	3.0
161.02446	13.9
161.06078	1.4
162.03262	3.3
163.00359	1.9
163.04054	3.0
164.01134	2.8
165.01950	5.2
167.03482	2.4
171.04498	1.9
173.06108	0.9
174.03215	1.3
175.04001	7.7
177.01913	1.2
179.03395	0.8
183.04485	0.8
185.06067	1.5
186.03178	0.9
187.03987	5.6
188.04784	1.4
189.02010	0.9
189.05562	2.2
191.03523	1.9
191.05618	2.9
197.06058	1.3
198.03293	0.7
199.03975	5.2
200.04854	1.5
201.01895	2.7
201.05598	2.7
203.03490	2.9
203.07114	1.7
205.05045	2.5
207.03070	0.7
211.04005	2.2
212.04768	1.0
213.05568	5.1
214.02640	1.2
215.03519	6.9
215.06992	0.8
217.05026	2.7
225.05534	1.8
226.02785	1.4
227.03488	5.2
228.04211	2.9
229.01517	3.9
229.05011	10.7
230.02193	2.9
231.02924	3.6
231.06447	0.9
239.03482	2.0
239.07066	0.9
240.04135	1.4
241.05003	4.7
242.02261	6.5
243.02960	31.6
243.06635	2.1
244.03731	5.6
245.04474	4.4
247.06062	1.6
251.03491	0.7
253.04906	0.8
255.03008	5.4
256.03699	3.0
257.04553	6.4
257.07025	0.9
258.05087	0.8
267.02954	1.8
269.04581	4.0
270.01636	2.6
270.05099	1.4
271.02475	39.1
272.02805	1.5
273.04068	1.7
275.05548	2.6
279.06607	0.9
280.11465	0.7
281.04666	1.4
283.02423	3.0
283.05838	1.0
284.03177	1.3
285.04059	5.8
286.04782	0.9
287.05573	9.5
289.07190	0.9
297.04065	1.7
299.05701	0.8
299.16443	0.8
309.03986	1.3
323.05606	0.8
326.04367	1.7
327.05060	1.5
353.10284	2.2
363.08820	0.9
383.00848	1.2
391.08246	1.4
393.09796	1.3
394.06897	20.3
395.07492	1.6
397.09308	1.4
407.07742	7.2
413.08667	3.1
419.07632	1.2
423.07254	2.8
431.07840	1.2
437.08749	6.5
449.08801	13.8
453.08173	1.1
511.37836	0.8
531.13855	0.8
575.11932	100.0
576.12024	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	575.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98809	1.8
66.52204	0.4
67.01879	0.6
68.58962	0.4
69.39032	1.6
71.01385	1.5
83.05050	0.5
85.02948	6.9
87.00867	1.4
87.72778	0.4
89.02414	0.6
93.03449	3.7
93.92502	0.5
100.59457	0.4
106.04256	0.6
109.02956	1.1
111.04539	0.8
113.02457	0.7
127.03993	1.7
137.02449	0.4
138.03241	0.5
146.03728	0.8
147.04491	1.4
152.89171	0.4
155.03500	0.5
157.02945	0.8
158.70648	0.4
161.02397	0.4
161.09746	1.5
171.08109	0.5
173.02405	0.8
173.04556	0.8
175.04044	0.7
177.34134	0.5
185.02379	0.4
191.05615	38.9
192.05978	0.5
195.47661	0.4
197.06108	0.6
201.01895	0.5
205.08725	3.9
207.10269	3.7
208.10593	1.9
209.06126	1.2
209.10770	0.7
225.05550	1.6
228.00520	0.8
229.01410	8.3
235.04008	1.3
237.05544	2.5
244.00082	2.3
253.05054	5.0
263.03479	2.9
264.04272	1.4
265.05017	4.4
269.04556	0.6
270.05316	0.9
278.05652	0.8
279.03839	0.4
279.06628	1.2
280.03925	1.0
281.04553	23.9
282.05255	2.3
284.51440	0.5
291.03128	0.8
292.03751	1.1
293.04617	2.4
293.07550	0.5
295.06036	0.5
296.06900	11.9
297.07684	4.0
306.05383	0.7
308.03268	0.6
309.04086	6.2
311.09271	10.7
313.10944	0.8
323.05405	0.7
324.06393	5.1
335.01859	0.8
339.08694	10.0
351.04904	0.5
353.02963	1.0
355.08157	0.6
367.04160	0.5
368.05273	1.6
371.16110	0.7
383.07715	100.0
384.08139	3.1
401.08920	0.8
575.14703	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	575.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98809	1.8
66.52204	0.4
67.01879	0.6
68.58962	0.4
69.39032	1.6
71.01385	1.5
83.05050	0.5
85.02948	6.9
87.00867	1.4
87.72778	0.4
89.02414	0.6
93.03449	3.7
93.92502	0.5
100.59457	0.4
106.04256	0.6
109.02956	1.1
111.04539	0.8
113.02457	0.7
127.03993	1.7
137.02449	0.4
138.03241	0.5
146.03728	0.8
147.04491	1.4
152.89171	0.4
155.03500	0.5
157.02945	0.8
158.70648	0.4
161.02397	0.4
161.09746	1.5
171.08109	0.5
173.02405	0.8
173.04556	0.8
175.04044	0.7
177.34134	0.5
185.02379	0.4
191.05615	38.9
192.05978	0.5
195.47661	0.4
197.06108	0.6
201.01895	0.5
205.08725	3.9
207.10269	3.7
208.10593	1.9
209.06126	1.2
209.10770	0.7
225.05550	1.6
228.00520	0.8
229.01410	8.3
235.04008	1.3
237.05544	2.5
244.00082	2.3
253.05054	5.0
263.03479	2.9
264.04272	1.4
265.05017	4.4
269.04556	0.6
270.05316	0.9
278.05652	0.8
279.03839	0.4
279.06628	1.2
280.03925	1.0
281.04553	23.9
282.05255	2.3
284.51440	0.5
291.03128	0.8
292.03751	1.1
293.04617	2.4
293.07550	0.5
295.06036	0.5
296.06900	11.9
297.07684	4.0
306.05383	0.7
308.03268	0.6
309.04086	6.2
311.09271	10.7
313.10944	0.8
323.05405	0.7
324.06393	5.1
335.01859	0.8
339.08694	10.0
351.04904	0.5
353.02963	1.0
355.08157	0.6
367.04160	0.5
368.05273	1.6
371.16110	0.7
383.07715	100.0
384.08139	3.1
401.08920	0.8
575.14703	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	575.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23211	0.7
55.55809	0.7
59.01387	4.7
61.98808	2.4
69.32098	3.6
71.01373	1.8
73.02943	1.9
82.95411	0.9
83.01390	0.8
86.58166	0.7
93.03458	1.3
96.96027	1.2
98.21860	1.1
101.02438	1.5
112.93488	0.6
113.02446	1.0
125.02425	2.8
132.91254	0.6
136.01645	1.3
145.02921	1.6
149.06097	1.1
151.03943	3.2
151.56061	0.7
191.05591	4.9
193.05046	0.7
206.07484	0.7
207.08081	1.4
209.06088	1.3
211.13287	0.6
223.07613	2.4
233.06082	0.9
234.06728	1.4
235.07613	2.8
251.07121	14.7
261.05380	0.7
262.06323	2.7
263.07126	6.7
264.07901	3.6
267.06592	1.1
277.08517	1.1
278.05685	0.8
278.09372	1.1
279.06592	23.3
280.06934	0.7
282.08765	0.7
293.08087	1.6
294.08911	8.5
295.06088	7.5
306.05310	1.0
307.06116	4.7
308.06876	1.3
309.11377	0.8
310.08389	2.1
321.07639	1.3
322.08450	9.4
323.05603	23.5
323.09113	2.1
324.05679	1.0
337.07114	1.4
338.07941	19.8
353.10275	100.0
354.10550	3.3
531.27979	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	575.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47642	2.3
59.01381	100.0
62.59142	2.1
70.62782	2.5
71.01381	12.6
73.02941	4.2
74.24839	2.1
76.61775	2.1
83.97976	2.1
85.02938	4.4
89.02454	2.8
101.02430	3.8
113.02434	2.9
133.02939	2.6
133.06564	4.9
134.03758	4.3
161.02458	3.5
161.04491	3.6
162.28111	2.1
182.13525	2.2
191.05550	3.4
193.05070	28.1
203.05650	11.9
203.47614	2.3
266.19693	2.7
297.35666	2.8
320.35617	2.3
470.50885	2.3
519.79956	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	575.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82681	1.2
51.89466	1.1
55.51754	1.5
59.01378	18.7
60.99302	17.9
61.98814	5.7
69.58609	5.2
71.01380	17.6
73.02947	5.1
77.38076	1.3
83.01373	1.7
85.02944	10.1
87.00885	9.8
88.98804	100.0
89.02437	45.4
93.03464	6.7
95.29034	1.3
96.96005	1.2
97.02901	1.5
99.00882	3.8
101.02441	13.7
113.02453	8.2
119.03495	5.5
125.02438	3.7
127.03974	1.8
130.04173	1.5
131.03494	1.9
135.04489	1.5
137.02412	2.5
142.39787	1.2
143.03481	3.4
145.10162	1.8
147.04524	1.7
155.03416	1.3
157.06519	2.4
161.04575	10.5
173.04565	3.2
177.05594	1.6
179.05606	5.4
191.05629	19.5
191.10770	34.7
208.07402	1.4
212.73935	1.4
221.06609	5.4
229.01196	1.8
239.07399	1.5
245.06606	5.4
263.07718	6.0
281.04507	8.7
293.08664	4.0
296.06726	4.2
297.07571	1.6
309.03949	2.5
311.09146	4.1
323.09784	15.3
339.08710	2.4
362.79947	1.4
383.02783	1.8
383.07709	33.8
384.08142	1.9
395.11380	5.2
515.21295	4.0
575.15784	23.8
575.30219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21289	0.5
54.25625	0.6
55.01879	0.8
57.03433	1.2
57.45749	0.5
59.01379	61.3
61.57129	0.6
61.98825	1.1
64.60033	0.6
68.86016	0.6
69.03480	0.8
71.01382	8.2
71.43581	0.7
71.43996	0.6
73.02943	6.3
82.95400	0.8
83.01374	4.1
83.05026	1.3
84.00064	0.7
85.02944	3.6
87.00883	3.2
87.89420	0.6
88.98817	3.3
89.02444	4.6
93.03447	3.1
93.30984	0.6
95.05003	1.3
97.06606	1.8
99.00866	0.8
99.92605	0.9
101.02451	8.3
107.05012	2.5
111.00860	0.7
111.04483	0.9
113.02444	5.1
116.92852	2.3
119.05025	100.0
121.02929	1.6
125.02493	0.9
135.04489	1.4
137.02455	2.7
139.04022	8.8
140.04332	1.6
143.03479	0.7
149.02441	1.3
161.04562	2.2
161.05981	0.7
161.09688	4.4
161.13338	1.8
161.85213	0.7
163.04007	65.5
163.11255	1.2
173.04527	1.4
179.10728	0.7
187.11336	6.2
189.09187	4.7
191.05647	4.6
191.07082	0.7
201.04074	0.7
203.10818	1.0
205.08786	0.6
205.12341	2.3
207.10275	1.0
213.09254	0.7
221.01070	1.5
223.13428	2.1
231.10356	1.7
249.11327	3.8
267.12402	1.3
273.11276	0.8
291.12402	1.4
325.09491	1.5
327.21771	0.8
328.42258	0.6
333.13562	1.4
351.14581	0.8
371.11307	5.7
411.16629	6.6
461.23666	1.1
515.28906	2.0
531.28217	1.7
557.29724	1.1
574.32153	1.8
575.21490	29.2
575.31256	9.2
576.22137	0.8
597.03986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03447	1.3
58.48283	0.5
59.01377	93.0
60.01737	0.8
61.58708	0.5
63.03470	0.5
68.36933	0.5
69.44284	1.9
71.01381	26.6
73.02937	6.2
81.03451	0.9
83.01384	2.9
83.05048	0.7
85.02946	8.1
87.00881	2.4
87.04553	0.4
89.02441	25.3
93.03456	0.5
93.07079	0.6
95.01389	1.4
95.05014	1.4
96.95992	0.6
97.02939	0.8
98.22724	0.5
99.00886	1.9
101.02438	22.4
107.05096	0.7
111.04583	0.6
113.02446	12.9
113.06092	1.2
115.04009	0.9
116.92906	0.5
119.03506	9.6
120.05822	0.7
121.05067	15.4
121.99387	0.5
124.63110	0.4
125.02447	0.5
131.03482	0.7
139.04028	6.1
143.03526	1.8
145.05098	0.6
149.04680	0.5
150.06889	1.6
155.03479	0.6
157.06563	0.8
159.02985	1.7
159.08133	0.6
159.11801	1.3
161.04561	7.3
161.09709	0.7
161.13356	27.5
163.11270	0.8
172.08975	0.7
173.04559	0.6
179.05621	4.0
187.11278	29.4
189.09238	2.3
191.05656	1.4
196.89314	0.5
201.04013	3.6
201.12740	0.5
203.14383	0.9
205.12320	56.9
206.12689	1.1
207.10222	1.2
229.12215	0.9
231.10330	1.3
249.11214	1.1
265.09277	10.2
283.10333	100.0
284.10678	2.4
299.01819	0.7
308.06348	0.5
350.30127	0.6
471.22351	19.7
472.22952	0.7
497.20401	1.6
515.21216	18.1
516.21533	1.5
533.22278	1.4
539.34741	0.6
575.23456	33.3
576.23584	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	575.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.7
60.99020	1.1
60.99307	14.5
61.98823	1.2
71.01376	4.2
71.43859	0.6
73.02929	2.2
83.01378	0.9
85.02955	2.0
86.87560	0.5
88.98803	100.0
89.02443	1.7
90.07825	0.5
93.03477	0.9
95.01381	0.9
101.02441	2.6
108.51059	0.7
113.02454	2.7
116.92859	0.9
119.05029	2.3
124.81333	0.5
129.73993	0.6
139.03996	2.2
143.83018	0.6
155.03458	0.6
159.79723	0.5
161.04523	0.7
163.03979	2.3
173.04575	0.9
177.02129	0.5
178.99869	0.7
187.11322	0.7
191.05582	1.6
209.11800	0.6
240.88611	0.7
382.23099	0.6
399.20151	0.7
515.32941	4.5
531.28290	0.7
533.33063	1.8
575.21838	1.1
575.31738	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	575.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03434	0.9
58.00592	0.5
59.01378	100.0
69.03462	0.6
71.01380	38.3
72.99274	0.6
73.02946	7.8
83.01397	2.0
84.00887	0.4
85.02953	9.3
85.03466	0.6
87.00896	1.9
89.02444	37.1
94.31100	0.4
95.01395	3.6
97.02976	0.7
99.00874	0.9
100.93398	0.4
101.02440	20.1
113.02448	26.2
116.92870	2.1
117.92836	0.9
118.92709	1.3
119.03504	17.0
125.02473	1.2
131.03513	2.3
143.03510	4.2
149.04581	1.6
161.04547	9.2
161.05827	0.6
179.05608	28.4
180.05965	0.5
235.83748	0.4
251.09325	0.5
436.62726	0.5
515.24951	9.8
515.32129	0.7
533.26019	5.2
575.13678	1.0
575.26978	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	575.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70178	0.4
55.01878	1.0
57.03448	1.4
58.34116	0.4
59.01378	100.0
60.01731	0.4
61.98828	1.2
67.05515	0.6
68.45017	0.4
69.03456	1.0
71.01380	28.7
71.05005	0.6
72.01736	0.6
72.99327	0.5
73.02945	5.8
81.03431	1.0
82.95412	0.7
83.01384	3.3
83.05025	1.1
85.02943	9.5
87.00867	4.2
88.98836	0.4
89.02443	22.5
93.03474	0.9
93.07077	0.5
95.01394	2.2
95.05025	3.1
96.96007	1.7
97.02948	1.1
97.06555	0.5
99.00888	2.6
101.02439	24.8
105.07098	0.8
107.04999	1.0
109.02968	0.5
111.00859	0.8
111.04510	1.6
113.02447	14.2
113.06078	7.5
115.04000	3.2
116.92866	1.6
118.83708	0.5
119.03503	8.9
119.04981	1.0
121.05067	15.4
125.02512	1.0
129.05597	1.5
131.03514	0.9
132.05771	0.4
135.04517	1.1
135.08092	0.4
137.06105	0.5
139.04008	37.7
140.04367	0.8
141.04449	0.4
143.03502	3.0
145.05074	0.6
148.09030	0.4
149.04581	0.5
150.06848	1.5
155.03543	0.7
157.05092	3.4
159.02962	5.1
159.11790	0.9
161.04556	9.5
161.09692	1.4
161.13354	23.5
163.04008	0.7
163.11320	0.6
169.10318	0.4
173.04483	0.9
179.05634	4.4
187.06062	0.7
187.11270	21.1
189.09204	1.6
189.10855	0.4
191.05527	2.5
193.05009	0.5
201.04041	23.7
205.12320	52.0
206.12674	1.2
207.10255	2.0
223.13295	0.8
231.10240	1.0
247.13408	0.6
249.11232	1.2
265.09296	10.8
283.10333	96.6
284.10733	2.1
315.27454	0.5
334.30402	0.6
339.13925	0.6
363.20163	1.0
364.20422	1.0
364.81430	0.5
365.20932	0.9
371.13467	0.8
405.85602	0.5
420.19205	0.5
429.17447	0.6
471.22330	18.3
472.22427	0.7
497.20175	0.9
515.20966	18.2
516.21454	0.8
533.23126	1.8
533.25604	1.8
537.32391	1.8
539.33899	1.4
575.23108	31.3
576.22668	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	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41392	0.8
57.03426	2.2
59.01376	16.4
64.27475	0.7
69.28342	3.5
71.01378	10.5
73.02951	6.9
83.01353	1.4
84.42751	0.7
85.02943	2.6
87.00863	3.2
89.02431	2.5
101.02437	6.6
112.75722	0.8
113.02430	4.1
116.79126	0.7
117.21597	0.7
124.01617	1.6
125.02401	0.7
149.72508	0.8
159.65034	0.8
187.53215	0.7
247.20638	9.3
249.22279	2.4
273.18640	1.5
277.38828	0.8
291.19653	10.7
293.21219	2.1
309.20660	16.5
311.22379	1.6
327.21716	7.0
351.33014	0.7
453.25336	0.9
471.26080	7.0
489.27036	11.3
493.23773	1.3
513.26654	1.0
531.28064	100.0
532.28491	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	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45256	0.2
55.01880	1.0
56.86277	0.3
57.03437	1.0
58.00609	0.6
59.01376	100.0
61.98829	0.3
62.43118	0.3
69.03458	0.8
69.72400	0.8
71.01379	40.8
72.99294	1.0
73.02943	22.1
75.00849	0.6
75.99187	0.3
81.03425	0.4
83.01387	5.6
84.93841	0.3
85.02945	10.8
87.00864	1.5
87.27465	0.3
89.02441	35.1
95.01385	4.3
97.02941	0.5
98.21922	0.6
99.00846	0.9
99.04496	0.5
99.92575	0.6
100.93347	0.6
101.02441	29.9
101.92384	0.3
102.93155	0.3
113.02444	30.0
115.92027	0.5
116.92104	0.4
116.92865	4.0
117.92034	0.4
117.92863	2.0
118.92633	1.7
118.93378	0.3
119.03500	14.1
125.02406	0.8
131.03488	4.5
143.03502	5.4
147.02922	0.4
149.04570	3.2
155.03505	0.6
161.04550	10.6
179.05598	7.7
191.05461	0.6
203.05441	0.6
221.06564	0.9
254.43367	0.3
323.09692	0.5
461.16278	0.6
515.24884	3.7
531.13501	0.6
533.25879	2.7
575.12823	1.9
575.26819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03450	1.3
58.00584	0.5
59.01378	100.0
60.01709	0.3
61.98831	0.2
69.03449	0.5
71.01382	34.0
71.42507	0.2
72.01701	0.3
72.99309	0.9
73.02946	8.3
73.03361	0.4
75.00864	0.4
80.96003	0.2
83.01394	2.9
85.02953	10.9
87.00876	1.9
89.02444	32.5
93.03457	0.7
95.01395	3.7
96.96009	0.4
97.02938	0.6
99.00874	1.1
99.04518	0.3
99.92583	0.7
100.92603	0.2
100.93356	0.5
101.02442	21.1
101.92423	0.2
101.93358	0.2
113.02450	27.5
115.92041	0.5
116.92104	0.3
116.92859	3.7
117.92033	0.3
117.92856	2.0
118.92632	1.8
118.93422	0.3
119.03503	14.5
124.01658	0.2
125.02445	0.7
131.03506	2.1
137.02432	0.8
143.03510	4.5
143.07150	0.3
149.04546	1.9
150.03181	0.3
161.02385	0.4
161.04559	9.1
165.05557	0.5
173.04379	0.2
173.97519	0.2
179.05609	15.9
180.06052	0.2
190.50528	0.2
191.05582	0.4
221.06602	0.4
229.07178	0.2
251.09155	0.5
293.10278	0.5
299.11325	1.3
300.11874	0.2
323.09671	0.4
329.86530	0.2
346.85693	0.2
461.16217	0.3
491.19131	0.5
515.24915	10.5
516.25012	0.4
531.14105	0.4
533.26031	7.1
534.26111	0.4
539.20892	0.8
575.13147	1.7
575.27844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03452	1.3
58.00591	0.4
59.01378	100.0
60.01705	0.5
61.98837	0.3
69.03462	0.5
71.01382	37.1
71.42551	0.1
72.99319	0.7
73.02946	9.1
75.00871	0.3
81.30112	0.1
83.01385	3.1
84.02162	0.2
85.02950	10.1
86.89620	0.1
87.00884	2.0
88.98827	0.1
89.02443	30.8
90.02770	0.2
95.01389	3.8
95.09574	0.1
96.96006	0.2
97.02956	0.6
97.82565	0.1
99.00881	1.5
99.04518	0.1
99.92590	0.4
100.92584	0.1
100.93369	0.3
101.02441	21.5
107.03519	0.2
111.00925	0.1
113.02449	27.8
114.02781	0.2
115.04009	0.1
115.92062	0.5
116.92072	0.2
116.92859	2.1
117.91956	0.1
117.92876	0.5
118.92702	0.4
119.03503	13.5
124.01684	0.2
125.02451	0.7
131.03511	2.4
137.02495	0.1
141.36771	0.1
143.03505	4.8
149.04558	2.0
155.03421	0.1
159.02983	0.3
161.02380	0.3
161.04555	10.4
168.38779	0.1
179.05611	11.0
191.05553	0.3
191.84749	0.1
221.06560	0.2
299.11484	0.6
321.32172	0.1
333.34222	0.1
353.19495	0.4
371.20813	0.2
372.54337	0.1
434.52493	0.1
515.24963	11.2
516.24945	0.4
531.14142	0.2
533.25995	7.8
534.26141	0.3
537.19537	0.1
543.17303	0.1
575.13007	0.5
575.27344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43061	0.3
55.01888	1.9
57.03442	2.2
57.52202	0.3
58.00585	0.5
59.01377	100.0
61.98838	0.5
69.03457	0.6
71.01378	45.3
71.41484	0.4
72.99313	0.8
73.02940	11.5
83.01382	4.3
85.02946	16.9
86.00069	0.5
87.00872	2.4
89.02440	30.7
89.05049	0.3
95.01382	4.8
96.96024	1.0
97.02962	1.1
99.00888	2.0
101.02439	24.9
111.00890	0.6
112.01665	1.2
113.02445	31.5
115.03997	0.7
116.92873	0.7
119.03507	12.8
124.01665	1.0
125.02443	1.8
129.01973	0.4
131.03516	2.3
135.04561	0.5
139.04031	1.6
143.03490	4.1
149.04558	1.2
159.03012	1.2
161.04559	9.4
163.03992	0.5
179.05598	6.5
179.07138	0.5
191.05655	1.1
299.01846	1.9
353.19632	1.7
371.20621	2.1
395.20691	0.5
463.62399	0.4
467.22903	0.5
515.24939	60.0
516.25262	2.5
533.25977	29.4
534.26410	1.0
537.32483	0.6
575.28516	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	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71641	0.3
54.91658	0.3
55.01885	0.6
57.03433	0.6
59.01375	24.8
61.98833	0.3
67.05530	1.2
68.99828	0.6
69.03447	0.4
71.01378	7.4
71.05022	1.0
71.24770	0.3
73.02944	2.3
74.79616	0.3
79.05540	0.3
81.03471	0.8
83.01382	0.7
85.02949	2.8
87.00872	1.1
87.04502	0.6
89.02439	6.2
89.02948	0.5
93.03460	0.6
95.05025	6.5
96.95977	0.3
99.00883	0.4
101.02447	6.8
111.04534	1.0
113.02456	3.6
113.06084	15.8
115.04002	10.2
116.92867	0.3
118.98076	1.2
119.03522	2.6
121.05073	2.9
125.02440	0.4
129.05576	4.7
131.03511	0.3
135.04556	0.4
139.04008	100.0
140.04318	1.7
141.04433	0.4
143.03456	0.6
149.04573	0.5
155.65038	0.3
157.05064	8.4
159.01653	0.6
159.02980	10.9
161.04576	2.3
161.13351	5.4
173.04565	0.7
179.03345	0.4
179.05589	0.9
187.11269	4.6
189.09134	0.7
191.05705	1.7
201.04041	59.7
202.04388	1.1
203.04559	0.5
205.12329	13.3
206.12578	0.4
207.10196	0.5
217.61560	0.3
247.13446	0.4
265.09329	2.0
283.10345	20.3
284.10651	0.7
299.11218	0.5
301.20667	0.3
342.48471	0.3
353.11435	0.5
358.34052	0.3
383.07562	1.1
463.15939	0.3
471.22372	3.8
471.86414	0.3
511.04614	0.3
515.21143	3.0
537.32861	0.5
557.25940	3.3
575.25781	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71429	0.7
51.36739	0.6
52.87111	0.6
55.01871	2.0
55.14567	0.6
57.02034	0.8
57.03437	2.1
59.01379	67.9
61.98827	1.1
67.05535	0.9
68.99798	1.0
69.03460	1.1
69.08747	2.2
69.09155	2.2
71.01380	28.9
71.05013	1.1
72.99281	0.7
73.02942	9.2
78.53468	0.6
80.38957	0.6
83.01380	3.0
85.02946	11.7
87.00884	4.4
89.02448	20.4
90.86502	0.6
91.22072	0.7
93.03455	1.4
95.01398	2.9
95.05020	6.6
96.96011	1.1
97.02958	1.7
99.00880	1.2
101.02441	17.9
107.05044	1.0
109.02983	0.6
111.00928	1.8
111.04528	2.4
113.02453	23.1
113.06094	17.9
115.04014	9.0
116.92847	0.8
119.03505	8.2
119.05009	8.8
124.01664	0.9
125.02483	0.9
129.05615	5.0
131.03468	1.4
135.04500	0.7
139.04015	100.0
140.04343	1.1
143.03471	3.0
143.53294	0.6
155.03505	2.1
156.03889	0.8
157.05072	9.1
158.83736	0.7
159.02992	10.3
161.04576	6.7
161.13414	1.0
163.04002	6.2
179.05620	5.9
187.11319	1.1
191.05637	2.6
201.04047	58.4
202.04350	0.9
205.12424	1.1
223.13383	1.6
249.11386	0.9
283.10300	0.9
299.11380	1.2
353.19589	1.0
363.20267	5.2
369.15793	0.8
371.20557	0.8
390.81976	0.8
515.24854	32.5
516.25287	1.5
531.22272	0.7
533.25940	22.6
537.32336	1.7
539.34534	2.5
557.25714	1.0
575.21576	3.7
575.30255	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74244	0.5
55.01867	0.4
55.70108	0.4
59.01376	14.0
61.98816	0.6
71.01374	2.3
73.02931	0.9
85.02940	0.7
87.00887	0.7
89.02444	2.4
90.24296	0.4
91.44233	0.5
95.68327	0.4
97.02917	0.5
98.22697	0.9
101.02442	2.8
106.01233	0.4
113.02441	1.8
117.84916	0.4
119.03478	1.0
161.04503	0.9
235.08214	1.7
253.09268	11.9
279.23282	100.0
280.23615	2.1
297.60513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45292	1.0
59.01379	11.0
61.98832	1.7
63.80545	1.2
69.25376	1.8
69.25795	5.5
71.01408	1.8
81.80898	1.0
81.96263	0.9
86.63436	1.0
89.02471	2.7
101.02435	2.3
107.62678	1.1
113.02438	1.5
127.10146	1.2
149.34410	1.1
161.04570	1.2
165.61540	1.1
187.37152	1.3
205.89137	1.1
223.06969	1.1
235.08293	1.0
253.09328	13.3
279.23291	100.0
280.23669	3.1
507.17752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02610	1.5
59.01376	2.0
65.54385	1.4
69.03466	13.0
71.01361	3.1
74.39373	1.4
79.69584	1.3
100.24815	1.5
114.75383	1.4
123.08152	1.7
125.09730	5.1
133.46494	1.4
149.09813	1.6
151.11304	7.7
153.12842	2.3
161.09717	12.4
179.10774	31.9
184.43713	1.7
197.11829	100.0
198.12140	2.7
223.09799	4.2
241.10774	13.6
277.21713	69.1
282.20160	1.6
282.24460	1.6
297.13437	8.0
315.14426	17.1
324.15622	1.6
421.66754	1.8
484.87216	1.4
541.54639	1.9
575.35889	82.1
576.36401	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	575.372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72977	46.2
70.42612	100.0
102.42057	49.1
177.10225	51.8
207.19812	49.2
239.73917	51.7
239.76514	60.3
272.10693	52.9
367.94073	50.7
390.96585	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	1.4
59.01379	2.2
61.98822	2.1
70.99579	1.2
71.01409	0.6
71.20299	0.6
73.02951	0.6
74.02471	3.5
78.16944	0.5
86.02478	1.4
87.00876	0.6
87.05633	1.0
99.05647	2.2
100.00388	1.0
110.01977	9.7
110.03745	0.8
111.04449	0.6
111.05608	0.7
121.02955	1.0
125.00636	0.7
125.03596	0.6
126.01414	4.2
126.90389	0.8
128.03549	15.2
128.90141	0.9
135.05682	1.1
143.04620	11.9
146.04565	0.9
151.04071	0.7
153.00174	3.0
153.06689	1.4
153.99693	1.3
154.00957	25.3
160.00728	3.1
162.33156	0.6
171.07758	0.9
173.04497	0.6
179.04640	3.0
182.00438	42.2
209.06129	0.7
210.08827	2.1
225.05563	1.0
226.06253	2.3
226.08331	1.2
241.08714	3.8
249.05536	0.6
254.07942	4.4
255.06593	1.6
269.08176	9.3
271.09729	0.9
272.08878	14.6
272.68161	0.5
287.09259	3.5
288.06610	1.9
300.12436	2.1
303.06976	100.0
304.07217	2.5
306.07663	23.6
326.10370	1.1
402.19193	0.7
576.16968	0.9
598.48480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.8
55.30502	0.8
59.01379	18.0
60.01725	0.8
61.98808	2.3
62.51263	0.7
65.15704	0.8
69.03432	1.4
69.33730	1.6
69.34119	1.8
71.01376	7.1
71.05003	3.4
73.02942	4.7
79.70858	0.7
83.01350	0.8
83.05020	1.3
84.04551	1.0
85.02937	3.0
87.00883	1.3
87.03544	0.8
87.04507	1.2
89.02450	4.2
93.03459	1.3
95.05007	2.4
96.95988	0.7
97.02922	1.4
97.06594	0.8
99.08141	1.2
99.67764	0.8
101.02452	3.8
105.07095	1.0
107.05013	2.1
111.04516	40.6
112.04018	1.1
113.02439	6.4
115.04005	29.9
119.03475	1.9
120.08187	1.9
121.06593	2.0
123.00829	0.8
123.08159	25.2
125.02398	2.6
125.06050	2.4
129.05573	1.1
135.04500	1.7
135.08177	1.3
136.01611	1.4
137.02452	8.8
139.03940	1.1
146.06126	1.0
149.06105	1.6
149.09642	1.2
150.09259	1.0
151.00391	1.3
151.07581	0.9
154.08665	0.9
160.11269	1.3
161.04582	1.8
161.09694	1.6
163.11229	0.9
165.05557	6.9
166.08678	0.7
167.05801	1.5
167.07127	24.1
177.09158	2.3
179.05557	1.1
179.10780	1.6
187.11200	1.0
191.05562	2.5
193.05045	18.0
193.12254	1.9
200.10782	0.9
201.31566	0.9
202.08696	1.1
202.12346	2.2
204.10114	1.2
204.13780	1.1
206.11833	2.4
211.06122	7.8
232.17027	2.9
237.04013	4.9
240.14104	0.9
254.15610	1.1
258.14871	2.7
276.16019	1.8
295.16949	1.0
298.14099	0.9
312.19724	1.4
316.15372	1.0
320.15039	11.4
338.16220	1.3
356.18594	1.0
370.20181	1.5
374.19620	2.3
374.89645	0.8
384.08035	2.1
388.21097	0.9
432.20230	10.7
434.18521	1.7
444.23828	1.5
445.22647	0.8
476.19067	1.0
488.22906	3.4
516.25519	1.9
532.21887	9.1
533.29742	1.0
534.25671	1.0
558.19891	1.8
576.20807	100.0
577.20557	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	576.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21192	0.3
53.11040	0.3
55.25380	0.3
59.01370	0.9
61.98828	100.0
69.14517	1.7
71.91956	0.3
77.21148	0.4
80.90217	0.3
87.78566	0.3
93.03427	0.4
96.96068	0.3
136.70882	0.3
153.52316	0.3
173.04596	1.3
211.33801	0.3
217.74203	0.3
396.14548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.68485	1.7
60.01714	2.2
68.32088	1.7
70.29179	3.5
71.01382	58.0
72.38190	1.6
73.02951	6.0
83.01389	2.9
85.02943	10.3
87.00871	4.5
89.02444	71.1
95.01376	5.1
96.96022	2.9
101.02438	32.3
113.02448	30.4
113.03163	2.8
119.03512	34.8
121.10497	1.9
125.02431	2.8
131.03494	4.5
139.03999	2.6
143.03500	9.4
149.04567	3.4
161.04549	12.2
179.05588	33.9
191.05627	2.7
299.11307	3.6
300.11670	4.7
372.18173	8.5
386.23590	2.0
412.76801	1.7
481.79172	1.9
533.26050	63.4
576.20374	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	576.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46347	0.2
57.03438	0.2
59.01378	0.7
61.98828	100.0
69.91595	0.2
69.91957	0.5
71.01385	0.3
78.11125	0.1
82.95433	0.5
85.02930	0.2
89.02460	0.2
93.03479	0.3
96.96008	0.3
98.21902	0.2
125.02436	1.0
161.02457	0.3
191.05592	1.1
203.07268	0.2
248.89284	0.2
269.04510	0.3
313.83951	0.2
325.10919	0.2
351.21838	0.6
506.99176	0.2
576.26141	0.2
577.14984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01384	0.5
61.98828	100.0
62.75664	0.2
62.82636	0.1
69.09876	0.6
69.10282	0.4
89.02445	0.2
93.03439	0.2
94.19888	0.2
109.02981	0.3
113.02464	0.2
116.63468	0.2
119.03503	0.2
123.04541	0.5
125.02444	4.4
125.03305	0.3
126.02816	0.2
137.02486	0.5
146.06128	0.6
151.04028	0.9
158.89342	0.2
161.02446	1.1
165.01921	0.2
175.04008	0.3
177.02025	0.2
190.05302	0.2
191.05688	0.8
205.05135	0.2
243.03087	0.6
244.03468	0.3
245.08365	0.2
256.03598	0.2
271.02554	0.5
272.02933	0.3
287.05634	0.7
288.06085	0.2
289.07224	0.3
351.21796	0.2
352.22205	0.5
353.22482	0.4
354.22934	0.4
396.22919	0.2
406.07050	0.2
407.07993	0.2
408.08279	0.2
450.09216	0.3
451.10965	0.2
576.12006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17653	0.1
59.01352	0.2
61.98827	100.0
69.80662	0.4
79.95732	0.2
80.96527	0.6
85.22403	0.1
86.74214	0.1
113.01163	0.1
140.32462	0.1
155.15388	0.1
200.66716	0.1
488.51477	0.1
494.63477	0.1
576.20123	0.1
577.26855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32808	0.3
59.01383	0.4
61.98827	100.0
62.70889	0.3
64.42284	0.3
69.95444	1.0
71.01382	0.8
73.02950	0.5
73.32946	0.3
78.98585	0.6
79.95757	0.9
80.96513	7.2
87.00897	0.4
93.43065	0.3
94.98079	2.1
106.98058	0.3
108.37949	0.3
122.97597	0.4
148.99193	0.8
152.98549	0.6
158.39667	0.3
164.98654	0.9
182.99663	0.7
208.79039	0.3
213.74400	0.3
225.00768	2.0
243.01997	0.3
278.21979	0.4
299.04517	0.4
470.72147	0.3
506.29187	0.3
522.50519	0.4
577.26770	12.6
577.35339	0.7
597.10980	0.3
599.40460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.5
61.32976	0.5
61.98817	1.3
78.95901	6.7
152.99583	1.6
168.04303	2.0
224.06923	1.3
233.22688	0.5
242.07976	3.0
259.20505	0.5
277.21713	100.0
278.21906	2.3
308.23343	0.4
502.29373	40.0
503.29980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
56.53076	0.4
57.03457	0.4
59.01377	18.5
59.63492	0.4
60.01708	1.0
61.01800	0.4
61.98828	0.7
63.02389	0.7
64.13506	0.4
65.00305	1.0
69.58566	0.4
70.60056	0.7
71.01376	7.3
72.01712	0.4
73.02937	2.5
73.89679	0.4
74.02451	0.3
76.82310	0.4
83.01382	1.9
85.02954	3.2
87.00874	1.0
87.82398	0.4
89.02445	4.3
90.67709	0.3
93.03455	1.4
95.01337	0.6
95.05032	0.8
96.95979	0.7
97.02975	0.7
99.00893	0.4
101.02454	4.1
107.01382	2.3
108.02168	1.1
109.02940	1.6
111.04436	0.4
113.02443	3.6
113.06109	2.2
115.04037	2.0
119.03483	1.6
120.03832	0.5
121.02926	1.8
124.01653	0.5
129.05629	0.4
135.00906	0.7
136.01639	1.0
137.02428	0.5
139.04016	10.6
143.03517	0.7
143.40442	0.4
148.01654	1.0
151.00356	8.6
151.03981	1.2
157.05064	0.9
159.02998	1.8
161.04510	1.3
163.00365	2.0
164.01120	0.8
167.16399	0.4
173.04590	0.9
178.99841	5.9
179.05609	0.7
186.35001	0.5
187.04033	0.7
188.04733	0.5
191.05627	4.1
199.64395	0.4
201.04051	4.5
201.05678	0.5
203.03481	0.6
203.07193	0.9
211.03932	1.1
216.04086	0.4
223.57040	0.3
226.02686	1.0
227.03566	2.0
243.02951	6.4
244.03596	0.4
245.04478	0.7
254.02165	2.2
255.02969	18.5
271.02469	36.9
272.03009	1.4
273.03897	0.8
275.92651	0.4
279.06580	0.5
283.02527	0.9
295.06027	0.6
299.01926	1.4
300.02737	71.9
301.03506	34.7
301.07086	0.6
302.03625	0.6
307.06134	0.9
310.08469	0.7
322.08252	0.5
325.10721	2.8
337.10843	2.4
353.06631	1.5
355.11899	0.5
463.08820	100.0
464.09207	3.9
516.25256	2.5
517.25720	3.4
533.22473	0.4
534.26398	0.9
535.26453	0.8
553.73938	0.5
559.14630	1.2
561.18433	0.5
576.30670	0.5
577.19501	3.1
577.29126	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	577.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	14.5
58.20770	0.7
79.62370	0.6
81.03457	1.9
83.01372	4.2
93.03439	2.1
95.05018	1.9
97.02947	4.0
105.03464	1.0
107.04981	0.6
109.02938	14.0
117.03463	0.8
118.79332	0.6
121.02952	2.5
122.03737	1.0
123.04524	10.1
125.02441	100.0
126.02809	1.1
133.02954	2.8
135.04509	2.0
137.01424	1.4
137.02441	21.1
138.03146	0.9
139.04022	2.9
149.02379	3.5
150.03293	0.8
151.04013	9.5
159.04492	2.5
161.02440	22.4
161.06050	3.4
162.03183	2.3
163.00371	1.4
163.03998	2.6
164.01157	4.4
165.01894	3.8
167.03529	1.5
174.03188	0.9
175.03998	6.8
175.07587	1.2
177.01915	5.0
177.05670	0.8
179.03522	3.8
185.06071	0.7
187.04004	7.3
188.04794	2.3
193.05179	0.9
201.05518	1.6
202.06406	1.8
203.03481	1.4
203.07141	7.7
205.01451	1.6
205.05063	6.4
215.03629	1.3
217.04999	1.7
221.08209	1.7
227.07138	1.2
229.05116	2.8
231.02945	1.4
243.03011	2.3
243.06584	1.1
245.04507	2.6
245.08160	11.9
255.02878	4.2
256.03754	3.0
257.04614	1.4
269.04547	2.1
273.04102	3.8
281.04578	2.3
285.04019	1.4
287.05557	6.7
287.53281	0.8
289.07159	55.3
290.07596	1.5
297.04190	0.8
299.05594	5.8
329.06226	0.8
339.08713	2.8
381.09848	1.8
407.07690	36.1
425.08704	16.7
451.10226	9.7
577.13416	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	577.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.8
59.46372	1.0
60.23648	1.0
62.19126	1.0
70.97978	1.4
77.77464	1.1
81.03461	2.2
83.01381	4.4
84.65075	1.1
90.53152	1.0
93.03455	1.6
95.01352	1.1
95.05022	1.8
96.45748	1.0
97.02971	2.5
108.02201	1.2
109.02949	18.8
121.02939	1.7
122.03712	1.8
123.04527	14.5
125.02444	100.0
131.05081	1.2
133.02922	3.7
135.04526	2.0
137.02449	19.3
139.03996	2.5
146.03719	1.6
149.02449	5.6
151.04005	11.9
153.49965	1.1
159.04463	2.6
161.01085	1.5
161.02434	27.6
161.06062	3.9
162.03204	2.9
163.00371	2.1
163.03996	3.1
164.01140	4.7
165.01964	4.9
175.03995	8.6
177.01929	8.4
178.02695	1.4
179.03490	4.3
187.04007	6.6
188.04805	2.5
189.05701	1.4
198.66670	1.0
201.05643	2.3
203.03423	1.2
203.07130	10.0
205.01384	2.9
205.05057	6.7
213.05566	1.2
215.03482	2.0
217.05121	2.1
221.08234	2.0
227.07089	1.4
229.05080	2.8
231.03036	1.5
243.02904	3.5
245.04524	4.5
245.08160	12.1
247.05957	2.0
253.05133	1.5
255.02972	8.3
256.03799	4.9
257.04440	2.4
271.06186	1.3
273.03976	4.7
281.04568	2.9
283.02481	2.2
285.03989	3.4
287.05606	9.7
289.07166	64.3
299.05597	5.7
329.06714	1.8
339.08548	3.3
381.09756	1.5
407.07687	54.1
408.07959	2.5
425.08749	25.9
451.10294	13.0
559.12128	1.7
577.13690	7.2
596.34967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.0
64.63680	0.6
69.09805	3.6
71.44221	0.7
81.03456	2.0
83.01373	4.2
91.93966	0.6
93.03458	1.6
95.01411	0.8
95.05032	2.4
97.02958	4.1
98.21925	1.4
107.05025	1.6
108.02191	0.9
109.02943	20.1
110.33771	0.7
117.03445	1.2
121.02997	3.5
122.03772	1.8
123.04526	14.3
125.02443	100.0
131.05074	0.9
133.02928	3.7
135.04539	2.2
136.01709	0.7
137.02440	16.6
139.04015	3.2
146.03745	1.3
149.02444	5.4
150.03198	1.2
151.03992	12.3
154.78952	0.6
159.04489	3.4
160.05319	1.1
161.02440	26.0
161.06073	4.8
162.03236	1.7
163.00354	2.1
163.03983	3.5
164.01118	4.2
165.01941	3.9
167.03522	1.8
173.02513	0.7
173.06143	1.3
175.04010	10.0
175.07600	1.4
177.01942	6.5
177.05589	1.3
179.03528	3.8
183.04550	0.7
185.06070	1.4
187.03947	6.9
188.04767	3.1
191.03554	0.9
199.04030	1.8
199.07635	0.9
200.04669	1.0
201.05499	1.4
202.06392	1.9
203.03461	1.1
203.07143	9.2
205.01427	2.3
205.05064	6.5
211.03984	1.0
212.04741	1.1
213.05579	1.3
215.03476	1.9
217.05103	1.5
217.08635	0.8
221.08148	1.9
225.05609	0.9
227.03551	2.2
227.07237	1.6
228.04359	1.4
229.05084	2.3
230.05864	1.0
231.02934	1.3
243.02971	2.2
243.06694	1.2
244.03595	0.7
245.04535	5.1
245.08163	10.2
247.06248	0.9
255.02953	8.7
256.03806	6.1
257.04529	2.1
269.04596	2.1
273.04138	5.5
281.04553	2.7
283.02499	1.7
285.04047	3.1
285.07019	0.8
287.05600	9.3
289.07162	64.1
290.07516	2.0
297.04077	1.0
297.07571	0.8
298.04703	0.9
299.05576	5.8
317.85922	0.7
329.06549	1.8
331.00165	0.8
339.08588	3.9
341.06433	1.0
381.09668	1.8
407.07700	61.6
408.08084	1.8
425.08762	26.5
451.10278	14.7
559.12494	1.2
577.13666	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	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	15.4
69.40531	2.2
69.40919	1.7
81.03481	2.0
83.01377	4.5
83.91503	0.8
84.32677	0.8
93.03456	1.8
95.05044	1.4
97.02945	2.5
98.21851	1.9
106.10177	0.9
107.05041	1.4
109.02952	16.6
121.02946	3.2
122.03760	1.3
123.04524	11.9
125.02444	100.0
128.59543	0.9
133.02969	3.1
134.20889	1.0
135.04498	0.9
135.18982	1.2
137.02441	22.2
139.04001	2.4
146.03806	1.0
149.02446	5.5
150.03172	1.3
151.04008	16.4
151.20877	1.1
159.04468	2.2
160.05313	1.3
161.02446	23.9
161.06073	2.7
162.03195	1.3
163.00446	1.3
163.04001	1.9
164.01196	4.8
165.01900	4.7
167.03455	1.8
173.06033	1.2
175.03960	8.4
175.07649	1.4
177.01912	4.6
177.05615	1.1
179.03506	2.8
187.03972	6.1
188.04739	3.0
189.05608	1.5
191.03516	1.2
201.05464	1.7
202.06363	1.3
203.03519	1.3
203.07150	7.6
205.01364	1.8
205.05013	5.8
213.05469	1.1
215.03500	0.9
217.05090	1.9
221.08093	1.4
227.03571	1.2
227.07187	1.7
229.05072	2.1
243.02896	1.7
243.06631	1.6
245.04517	2.9
245.08191	11.0
255.03073	4.2
256.03674	2.4
257.04593	1.8
259.05966	2.1
269.04565	4.7
273.03973	4.5
281.04617	2.5
283.02377	1.1
285.03876	1.8
287.05615	18.4
289.07172	46.7
299.05591	5.8
329.06534	1.5
339.08801	2.5
374.40320	0.9
407.07669	34.2
408.08255	1.2
425.08762	14.5
451.10358	11.0
458.90582	1.0
533.14313	1.3
559.12286	1.1
574.43817	1.0
577.13269	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
54.45442	0.5
57.03444	15.8
59.01368	1.2
61.98838	0.4
69.03466	0.9
69.34933	1.9
71.01395	0.6
81.03447	2.0
83.01379	4.0
89.02438	0.6
93.03456	1.8
95.01390	0.6
95.05018	2.0
97.02962	3.3
107.05025	1.0
108.02201	0.7
109.02950	14.9
117.03455	0.5
121.02934	2.7
122.03739	1.4
123.04520	11.0
123.05356	0.9
125.02441	100.0
126.02773	1.0
131.05011	0.7
133.02950	3.5
135.04536	1.6
137.02435	19.9
138.03120	0.5
139.04019	2.2
145.02966	0.8
146.03735	0.7
147.04494	0.9
149.02437	4.4
150.03201	1.0
151.04012	9.7
156.59315	0.4
159.04526	2.7
160.05269	1.1
161.02437	22.2
161.06068	3.2
162.03145	2.0
163.00362	1.3
163.03951	2.4
164.01132	5.0
165.01912	4.3
167.03502	1.9
173.02376	0.5
173.06024	1.0
174.03223	1.2
175.04021	6.1
175.07634	1.4
176.01102	0.5
177.01941	4.8
177.05493	0.8
179.03465	3.9
183.04686	0.6
185.06010	0.6
187.04019	5.9
188.04817	2.3
189.05563	1.2
190.02661	0.5
191.03439	0.7
191.05626	0.9
193.05110	0.6
199.04021	0.8
201.05591	1.5
202.06352	1.6
203.03551	1.4
203.07103	7.5
205.01456	1.8
205.05051	6.0
211.04103	0.8
212.04790	0.7
213.05568	1.3
214.02756	0.5
215.03528	1.1
217.05083	1.8
219.06696	0.7
221.08119	1.3
227.03513	1.1
227.07091	1.1
228.04233	1.1
229.05028	2.5
230.05844	0.9
231.02931	0.8
231.06590	0.6
236.79825	0.5
243.02956	1.5
243.06674	0.5
244.03615	0.7
245.04509	3.3
245.08153	10.3
247.06154	1.5
255.02954	4.5
255.05486	0.5
255.06590	0.5
256.03769	2.7
257.04517	1.6
269.04642	1.3
271.06088	0.7
273.03995	4.1
281.04691	2.4
283.02490	1.1
285.04071	1.3
287.05606	7.1
289.07156	53.0
290.07504	1.8
297.04095	0.5
299.05533	6.0
329.06717	0.9
339.08664	3.0
341.06573	0.7
354.60632	0.5
381.09781	1.4
407.07690	35.4
408.08032	1.8
425.08777	15.4
426.09152	0.7
451.10297	8.8
452.10678	0.7
468.29218	0.5
509.84491	0.5
559.12573	0.9
577.13495	6.7
577.27820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.5
69.77838	3.3
75.15517	0.9
81.03442	2.3
82.33549	1.2
83.01367	5.2
95.05016	2.5
97.02946	5.2
98.21950	1.3
100.96365	1.0
107.04958	1.1
109.02952	19.9
121.02937	3.6
123.04528	12.1
123.94016	0.9
125.02443	100.0
133.02956	4.0
135.04578	1.5
137.01428	1.7
137.02441	21.1
139.03966	3.3
139.78658	1.1
145.02959	1.9
149.02394	5.3
150.03197	2.1
151.04012	11.9
159.04504	3.4
159.42923	1.2
161.02428	29.2
161.06091	3.7
162.03186	2.0
163.00371	2.4
163.03984	4.3
164.01158	3.9
165.01918	6.0
167.03490	1.0
173.05963	1.2
174.03226	1.2
175.03972	9.7
175.07535	1.3
177.01933	5.5
178.02538	1.2
179.03528	5.3
185.06030	1.2
187.03990	7.6
188.04761	3.4
189.05569	1.0
201.05634	2.2
202.06317	2.2
203.03429	1.4
203.07130	10.2
205.01401	3.0
205.05043	8.8
208.45651	1.1
211.04013	1.3
215.03348	1.5
219.03081	1.4
221.08197	2.8
227.03514	2.3
227.07016	1.8
228.04378	1.3
229.05037	3.1
231.02835	1.8
241.04976	1.5
243.03021	2.6
245.04507	4.7
245.08151	14.8
247.06113	1.9
255.02933	8.3
256.03729	3.7
257.04367	1.7
269.04593	2.7
273.03946	2.8
281.04559	3.6
283.02408	2.2
285.04007	3.1
287.05634	10.1
289.07178	66.6
297.04016	1.4
299.05460	6.7
339.08740	4.3
381.09875	2.7
407.07672	63.0
408.07864	2.0
425.08774	27.9
426.09677	1.7
451.10217	15.4
559.12189	2.2
577.13361	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	577.156
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
51.81611	1.1
59.01378	8.1
62.89814	1.1
69.03447	1.5
71.01357	2.9
89.02449	2.7
96.95961	2.4
98.22655	3.5
113.02451	2.8
125.02424	4.0
128.03575	1.3
146.06001	1.3
151.03854	1.4
169.06540	2.4
171.04578	1.3
173.04532	1.2
173.06053	1.3
185.27895	1.6
189.93878	1.2
191.05602	4.4
195.94162	1.3
197.06082	1.5
211.03984	42.0
213.05544	10.6
219.34367	1.3
225.05501	2.0
239.03487	40.1
239.05882	2.2
240.04214	5.5
241.05098	6.7
247.25555	1.4
268.01169	2.3
268.03766	23.7
269.04535	100.0
269.77509	1.4
270.04868	2.4
273.22400	1.3
310.08459	2.0
325.10718	1.5
327.21866	1.3
380.62735	1.2
415.14014	6.4
574.61487	1.5
577.15552	69.6
577.29004	2.9
578.15906	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	577.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00593	0.9
54.11716	1.0
56.85474	0.8
59.01377	100.0
61.98828	7.1
64.79674	0.8
71.01385	7.0
73.02942	6.9
73.59766	0.8
80.91679	1.1
82.95416	6.8
83.01384	1.2
85.02951	2.6
89.02451	3.5
93.03495	1.5
96.96010	1.2
101.02444	5.6
108.02201	1.1
109.02964	1.7
113.02439	3.1
116.21034	0.8
119.03513	1.4
121.02892	1.0
123.00905	1.2
125.02418	1.0
135.04483	0.8
136.01651	4.7
138.48048	1.1
151.04024	9.2
159.04517	1.6
160.05309	3.6
161.04546	3.0
162.03163	1.4
163.03993	2.7
173.04539	1.8
173.06035	1.0
175.07671	3.8
177.05495	1.4
178.06270	1.2
186.03195	1.0
187.03981	1.8
188.04741	2.2
191.05591	2.9
193.08780	2.6
201.05447	1.5
203.07135	4.4
229.13730	0.9
235.07706	2.1
251.07112	1.8
254.09401	0.9
263.07181	1.3
266.09418	1.9
267.06512	5.3
277.05042	1.0
279.06631	15.4
291.06674	7.7
292.07376	3.6
294.08914	3.2
295.06076	17.9
305.08203	2.0
306.08984	9.4
307.06137	28.5
307.09515	1.6
309.07571	1.3
310.08463	19.6
311.08957	1.0
321.07727	1.5
322.08481	20.5
325.10800	66.4
326.11261	1.2
337.10800	94.0
338.11020	2.7
355.11829	4.0
364.76660	1.0
503.32227	1.0
517.19116	1.7
517.30078	1.1
533.13361	1.0
533.20471	3.3
535.18079	1.1
568.80902	1.0
577.19421	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	577.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.7
59.01378	8.3
61.98804	1.7
61.99680	0.5
69.03405	0.5
71.01372	3.9
73.02937	1.6
76.62514	0.5
83.01389	0.9
85.02946	1.5
89.02448	3.0
93.03437	0.7
93.74226	0.5
96.95995	0.5
97.02938	1.1
101.02435	3.8
103.04018	3.5
107.27744	0.4
113.02416	0.6
115.91868	0.5
116.92817	1.0
119.03495	1.7
125.02440	3.5
127.04027	0.5
137.02487	0.5
143.03571	0.6
155.03435	0.6
161.02457	1.8
163.06087	2.9
173.04558	1.4
191.05515	0.7
205.04996	0.7
210.10490	0.8
225.09296	0.6
247.08286	1.0
253.08748	5.7
253.12408	1.1
254.09482	58.5
255.09882	2.1
261.89108	0.6
269.11826	100.0
270.12088	2.4
307.10165	2.4
571.56036	0.5
577.22742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2319
Annotation	Cocsulinine
Peak:m/z	Relative Intensity
56.28109	2.2
59.01385	9.3
61.98829	14.7
69.55256	7.2
71.01363	4.3
78.91886	54.6
82.11015	2.2
85.02932	4.0
85.65695	1.9
89.02406	2.2
93.03428	3.6
95.44233	1.9
96.95974	8.2
101.02408	3.3
102.81578	1.7
113.02416	6.1
119.03552	2.0
123.04449	1.9
125.02396	7.5
137.02396	4.7
146.06082	9.3
161.02432	2.3
161.04504	2.7
162.63084	1.8
172.01230	2.1
172.89450	1.7
176.48009	1.9
191.05542	7.5
289.06854	4.4
291.10785	2.1
305.09305	3.1
317.09177	2.4
407.07880	2.7
415.18018	45.7
469.90674	2.0
533.28900	2.3
577.22986	100.0
578.23560	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	577.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62579	0.7
59.01380	4.2
60.10844	0.6
61.98831	6.0
64.74932	0.7
66.68591	0.7
69.29926	1.3
69.30319	2.2
71.01351	0.7
73.77557	0.7
85.02913	1.0
87.00868	0.7
89.02424	1.3
93.03408	0.8
96.96014	29.3
98.21871	1.5
113.02457	1.5
125.02415	2.7
128.03520	1.7
146.06094	1.5
151.04044	1.0
161.02435	1.1
173.04558	0.7
190.05028	0.8
191.05577	2.7
217.14389	3.2
227.03532	1.6
255.03003	2.6
263.64148	0.8
269.04507	0.8
284.03168	2.8
307.06271	1.1
309.39175	0.8
325.10559	3.7
335.22205	1.8
337.10706	3.2
368.54926	0.7
397.16879	1.0
407.07623	0.9
415.17957	71.6
416.18350	1.7
458.43317	0.8
475.27734	0.8
577.16693	4.4
577.23157	100.0
577.29980	4.1
578.23816	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	577.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75002	0.8
55.01875	2.0
57.03457	5.4
59.01378	68.0
59.57729	0.8
61.98829	100.0
64.14620	0.8
67.01891	1.2
69.03454	3.0
71.01379	25.2
71.05027	1.7
73.02941	8.3
80.02056	0.8
80.45424	0.9
81.03486	0.9
83.01379	3.0
83.05016	1.6
85.02949	14.1
87.00883	10.5
87.04517	3.1
89.02444	12.2
93.03450	5.6
95.01376	2.2
95.05003	1.3
96.96021	0.9
97.02950	1.0
97.06583	2.1
99.00890	3.0
101.02438	14.7
101.06110	0.9
106.45377	0.8
108.02087	0.8
111.00881	2.0
111.04538	2.1
113.02441	15.5
113.06071	1.2
115.04025	1.3
115.07640	1.1
119.03506	3.7
121.03030	1.2
123.08160	2.3
129.01935	1.7
135.04498	2.4
137.09665	0.9
139.04013	7.1
140.04416	0.8
141.01849	1.1
141.09195	1.7
143.03485	2.7
153.01894	0.8
155.03514	1.3
159.03004	1.3
159.04314	0.8
161.04559	6.0
161.05757	1.2
173.04524	13.0
173.11855	1.2
179.03404	0.9
179.05643	3.3
179.10619	0.9
179.14330	1.1
181.12318	2.1
191.05614	26.1
192.05807	1.0
195.13902	3.0
201.11320	1.6
202.12154	1.2
203.10873	1.2
203.12701	1.9
205.16061	0.9
213.09071	0.8
214.02684	1.0
231.15996	3.5
241.01292	1.0
242.02277	1.4
254.09549	1.0
257.17584	1.1
270.01828	1.8
272.10553	1.0
277.13025	1.4
283.13409	2.2
303.14459	2.5
327.15945	4.5
337.23965	1.5
345.15411	1.7
345.19077	2.1
353.06897	1.1
353.14011	2.0
355.21060	1.1
355.24951	3.4
357.26541	1.1
363.20132	3.3
371.15030	2.2
373.25894	5.3
375.27429	1.4
385.16638	1.8
403.17715	1.4
415.22678	0.9
457.28290	1.0
463.20978	1.4
463.26459	1.6
499.29086	6.9
499.81750	0.9
517.30200	48.5
518.30652	1.0
533.29559	1.0
535.31335	12.8
545.20142	2.8
554.23602	0.9
559.14203	1.5
559.31250	1.8
577.15448	4.1
577.31104	5.0
578.32166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49457	0.3
59.01388	0.5
60.58640	0.3
61.98830	100.0
62.98542	1.3
62.99269	0.5
63.96259	0.3
70.64016	0.6
71.01379	2.7
71.31642	0.4
73.02956	0.7
78.47210	0.3
78.98594	1.8
79.95738	3.8
80.96517	26.0
81.03477	0.6
85.02969	0.8
87.00885	1.3
94.98087	6.5
96.96014	0.4
97.02972	0.7
99.00879	0.4
101.02447	1.2
106.98100	1.2
122.97564	2.1
125.02458	1.1
134.97609	1.9
136.99149	0.5
148.99139	2.9
152.98628	2.8
164.98615	4.8
171.48891	0.3
182.99718	0.9
206.99652	1.7
225.00754	7.5
243.01877	0.7
277.21667	0.9
299.04489	1.1
577.26868	51.7
578.27606	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23240	0.5
59.01378	1.3
61.98830	14.2
63.96225	1.6
66.98225	0.5
70.96236	0.6
71.01382	7.5
73.02939	2.3
78.95887	0.8
78.98587	5.9
79.95737	9.3
80.96516	61.8
81.03445	0.8
85.02951	3.1
87.00883	2.6
94.98084	14.2
96.96011	1.7
97.02943	2.2
101.02446	2.8
106.98080	2.7
107.92809	0.7
122.97563	2.8
125.02448	2.0
127.03980	0.7
134.97575	4.3
136.99146	1.7
148.99130	4.0
152.98627	5.4
164.98630	11.4
167.00166	0.7
180.94571	0.5
206.99707	2.1
209.11755	1.4
219.75851	0.5
225.00731	15.6
243.01715	0.7
247.20966	0.6
277.21606	2.3
277.42233	0.5
279.23230	3.6
297.94220	0.6
299.04510	2.8
335.68524	0.6
356.66666	0.6
504.31189	1.7
577.26868	100.0
578.26929	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	577.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25570	8.9
57.84531	10.0
59.01360	11.8
61.98826	100.0
62.32837	10.9
70.91045	12.4
74.68004	9.9
75.99825	9.3
86.99084	9.6
93.03448	35.6
112.80792	8.9
134.03767	15.9
135.04541	54.2
155.18260	10.5
156.31494	9.8
173.04530	47.9
191.05603	42.6
215.82841	12.3
305.20938	12.5
336.52948	12.1
352.08023	13.5
449.88873	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	577.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08665	0.1
51.48561	0.1
55.01874	1.0
57.03448	1.3
58.00599	0.7
59.01378	100.0
60.01707	0.4
69.03461	0.8
69.65026	0.4
71.01381	37.5
72.99302	0.9
73.02943	20.9
75.00874	0.5
81.03438	0.4
83.01389	5.2
84.02191	0.3
85.02949	9.8
87.00877	1.9
88.16671	0.1
89.02443	30.2
95.01380	3.6
96.95998	0.3
97.02955	0.7
97.59127	0.1
99.00892	0.9
101.02441	24.5
111.00887	0.2
113.02448	23.6
113.60189	0.2
114.02792	0.2
115.04011	0.3
116.92904	0.2
118.68713	0.1
119.03503	12.8
125.02458	1.1
131.03503	2.4
134.06108	0.1
137.52220	0.1
143.03499	4.3
149.04573	2.1
155.03506	0.5
159.02921	0.3
161.04552	7.1
179.05609	8.3
191.05533	0.3
203.05608	0.2
221.06630	0.4
241.71274	0.2
249.82866	0.1
355.21170	1.0
356.46976	0.2
373.22238	0.3
397.21912	0.2
415.23111	0.6
517.26508	28.4
518.26941	1.6
535.27588	18.8
535.34241	0.2
536.28076	0.8
545.17743	0.4
577.28583	7.3
578.28790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63064	0.1
55.01877	0.8
57.03447	1.1
58.00594	0.7
59.01379	100.0
60.01701	0.2
61.02933	0.1
61.98820	0.1
64.43499	0.2
69.03462	0.5
69.28420	0.4
69.28819	0.2
71.01381	35.7
72.01740	0.2
72.99300	0.8
73.02946	12.3
75.00883	0.4
81.03474	0.2
83.01390	3.3
84.02177	0.2
85.02951	8.9
87.00879	1.9
88.98788	0.2
89.02444	32.3
95.01389	3.1
97.02951	0.4
99.00867	0.6
101.02444	20.7
102.02756	0.1
111.00946	0.3
113.02448	23.8
114.02763	0.3
115.04011	0.3
116.92857	0.3
118.78883	0.1
119.03502	12.8
125.02446	0.9
131.03503	2.3
132.04559	0.5
134.06125	0.2
143.03497	4.1
149.04556	1.7
155.03482	0.3
161.04558	6.5
176.03513	0.2
178.55263	0.2
179.05611	8.1
183.41248	0.2
191.05640	0.3
218.73685	0.1
221.06537	0.3
242.69379	0.1
279.11401	0.2
293.08820	0.5
322.67932	0.2
324.77362	0.1
326.53983	0.1
355.21231	0.8
373.22479	0.3
375.50125	0.1
397.22079	0.3
469.24353	0.2
482.04010	0.1
517.26520	29.6
518.27002	1.5
535.27600	19.8
536.27875	0.8
545.17780	1.1
546.18512	0.2
577.12903	0.2
577.20557	0.4
577.28613	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	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
58.80779	1.0
59.01378	41.1
59.15246	1.4
59.83975	1.1
61.98833	9.0
64.80927	1.1
71.01380	16.1
73.02933	11.9
82.55756	1.1
83.01382	4.7
85.02946	4.6
87.00881	1.9
89.02437	10.7
96.96007	13.6
101.02451	16.1
108.28328	1.2
109.02983	1.3
113.02469	6.4
119.03458	2.5
125.02418	2.9
129.74191	1.3
146.06119	7.0
161.04552	2.2
162.44376	1.2
190.05064	1.8
191.05626	5.8
251.69044	1.3
258.99170	1.6
289.07269	1.5
301.00345	2.6
311.22278	9.4
319.81027	1.2
403.03583	7.8
415.18222	1.6
463.05963	3.1
473.27478	1.6
491.28400	6.9
533.29681	100.0
534.29926	5.5
554.52356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78567	0.8
57.03441	0.8
59.01377	85.8
61.98835	11.4
69.03446	0.8
69.69160	1.5
69.69549	1.7
71.01381	12.3
73.02943	11.6
82.95417	2.8
83.01386	3.2
85.02942	3.6
86.34628	0.8
87.00880	1.6
89.02431	6.7
93.03426	1.3
95.01398	0.8
97.02939	0.7
101.02440	10.1
113.02457	5.1
119.03485	2.7
125.02482	1.9
131.03522	1.0
146.06206	1.3
151.03979	1.4
162.26706	0.8
167.03535	1.0
191.05591	2.8
311.22424	1.0
345.19165	0.8
463.25485	1.1
473.27374	1.8
491.28488	4.6
515.28638	4.8
533.29639	100.0
534.30042	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03445	2.3
58.00592	0.5
59.01377	100.0
60.01709	0.4
60.99302	0.5
61.98828	22.9
67.01888	0.5
69.03463	1.5
69.12185	1.0
69.12614	1.2
71.01380	24.6
71.05043	0.7
72.99319	0.7
73.02942	8.2
75.00876	0.6
81.03451	0.7
81.77023	0.3
83.01374	3.9
83.05020	1.0
85.02946	13.4
85.06595	1.1
86.00095	0.7
87.00875	3.3
87.04526	0.6
88.98818	0.8
89.02441	7.7
93.03442	4.7
93.07106	1.1
95.01385	2.8
95.05029	0.8
97.02962	2.0
97.06594	1.1
99.00865	2.3
99.04517	0.4
101.02438	16.7
108.02208	0.3
109.06631	0.6
111.00912	0.7
111.04552	0.8
112.01743	0.5
113.02444	12.6
115.04005	1.0
116.92855	0.6
119.03493	3.4
121.02979	0.4
123.08167	0.5
124.01717	0.4
125.02452	2.0
126.90451	0.4
127.04007	0.4
133.02951	0.5
134.06123	0.6
135.04538	2.2
135.08191	1.0
137.02422	0.5
138.06873	0.8
139.04008	5.8
141.09235	1.3
141.12868	0.8
143.03490	4.1
145.08661	0.7
153.09216	0.5
153.12852	0.3
155.03448	0.4
159.02977	1.4
160.33102	0.4
161.04555	4.1
165.09239	1.6
165.12852	0.4
167.03514	1.5
171.13913	0.6
173.04552	7.0
179.03499	0.8
179.05580	0.7
181.12329	2.2
183.10274	0.9
183.13875	0.6
187.13474	0.6
191.05609	10.4
191.07310	0.6
199.13376	0.5
201.11389	1.3
201.14943	8.8
217.14587	0.4
242.02284	0.6
243.15947	0.7
270.01608	0.8
327.15887	0.7
331.17444	2.1
333.19235	0.6
335.05786	0.3
345.19153	46.4
346.19476	1.5
353.08987	0.4
353.13864	1.0
363.20221	38.8
364.20648	0.9
371.15262	0.5
375.20264	0.5
377.21878	1.7
385.16504	0.7
387.20242	11.3
405.21286	18.1
411.23422	0.4
463.25363	3.5
463.87335	0.4
474.15649	0.6
499.29187	2.1
517.30231	4.1
535.31323	1.1
545.20325	0.6
559.31354	0.5
570.66919	0.4
577.15460	1.1
577.31165	1.4
578.35498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74483	1.1
57.50089	1.1
58.46376	1.0
59.01372	15.7
59.81705	1.0
63.91508	1.0
69.19255	4.2
71.01374	2.3
72.84358	0.9
74.95219	1.2
84.95128	1.9
85.00437	5.6
86.96507	1.3
89.02438	2.0
101.02423	1.2
126.03371	0.9
126.25790	1.1
161.04535	1.2
235.08202	1.8
253.09250	14.8
281.24847	100.0
282.25153	3.3
293.21225	1.5
295.22589	1.2
309.87424	1.2
408.81073	1.2
513.64331	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	577.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71857	1.6
70.42503	1.9
70.42832	2.5
76.56223	1.5
95.05007	3.1
105.03453	10.8
116.92845	2.6
123.04552	1.8
132.02168	4.2
133.02956	46.7
134.03757	13.4
135.04498	6.0
137.02477	2.0
144.05806	2.1
160.01653	28.5
161.02432	18.6
161.06097	2.2
175.04004	58.9
176.90103	1.9
178.02603	1.8
179.03506	3.5
193.05051	4.6
196.52556	1.4
261.11285	2.1
289.14697	1.9
327.28943	9.4
331.19427	1.6
345.20569	1.6
359.22168	1.8
387.25195	2.1
401.26889	4.7
417.33759	3.8
471.30933	7.7
485.32639	12.7
489.32092	2.2
489.75748	1.5
503.33804	24.4
562.34692	2.1
577.37451	100.0
578.38184	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3742
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
52.72295	0.3
59.01382	2.0
71.01389	0.4
71.20312	0.5
73.34019	0.3
77.03958	0.7
82.40137	0.3
88.21615	0.3
89.02447	0.9
89.03958	0.4
90.19570	0.3
91.04001	1.4
95.05032	2.1
104.02637	0.4
105.03455	8.0
117.03470	0.8
120.40780	0.4
122.41026	0.4
122.77098	0.3
123.04552	0.7
132.02194	3.1
133.02959	34.2
134.03746	9.0
135.04543	3.3
137.02420	2.0
139.04031	0.5
147.04517	0.5
148.05313	2.5
149.02449	0.6
149.06027	0.8
150.03276	0.4
158.07394	0.4
160.01653	23.1
161.02437	16.2
161.06053	2.2
162.03160	1.1
175.03999	60.3
176.04378	0.9
177.01944	2.3
178.02718	2.7
179.03470	2.2
193.05048	5.4
233.08200	0.5
247.09732	1.5
260.17816	0.3
261.11374	0.9
275.12881	0.9
289.14407	1.3
289.26749	0.4
303.15982	1.2
313.18121	0.5
317.17581	1.5
327.19427	0.6
327.29016	7.9
331.18985	1.2
345.20721	1.3
359.22186	1.8
369.24310	0.6
373.23810	1.3
383.25797	0.9
387.25348	1.5
401.26953	4.1
403.32297	1.1
415.28534	0.8
417.33646	2.4
429.29669	0.5
444.32413	0.4
471.31149	7.7
472.31488	0.6
478.82632	0.5
485.32742	15.8
486.32968	0.5
489.32150	3.3
503.33783	30.6
504.34122	1.3
562.35095	3.0
577.37427	100.0
578.37933	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	577.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51346	2.4
59.01375	100.0
61.98842	2.3
70.34542	3.7
71.01366	3.9
78.95892	4.2
89.02454	12.7
91.04000	51.0
119.51016	2.2
269.49295	2.7
307.30057	45.0
351.29031	21.7
369.29996	36.5
425.32697	28.4
430.00366	2.4
443.33713	49.6
470.17419	3.1
577.30109	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	578.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98828	100.0
71.01402	0.2
71.42338	0.2
84.17416	0.1
85.02962	0.1
86.23638	0.1
89.02464	0.3
101.02470	0.2
101.13068	0.1
116.92930	0.1
141.01291	0.1
161.02412	0.1
173.04504	0.2
185.32286	0.1
191.05632	0.2
205.02351	0.1
255.10344	0.2
273.43130	0.1
297.07974	0.2
309.07846	0.2
327.12555	0.3
328.03723	0.1
339.12537	0.4
368.97733	0.1
552.24719	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	578.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	81.4
61.98829	12.2
69.10505	4.0
69.10925	5.8
71.01379	39.0
73.02954	3.3
83.01356	1.5
85.02944	7.7
87.00887	3.5
89.02444	54.8
95.01383	2.8
96.96001	5.1
101.02448	25.4
113.02456	18.9
116.92791	1.4
119.03500	23.8
123.68000	1.4
131.03525	3.0
139.53091	1.2
143.03500	4.7
145.94177	1.3
149.04555	2.2
157.69299	1.3
161.04578	5.1
168.03059	1.6
169.27460	1.3
179.05629	19.5
181.05066	3.5
182.62289	1.7
228.95583	1.6
255.02931	1.7
283.02460	7.7
417.15338	2.6
467.53235	1.5
519.24194	1.8
535.27612	100.0
536.27911	5.2
543.36639	1.6
578.22534	2.2
579.13715	4.5
583.62012	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	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84806	0.2
61.98827	100.0
62.93079	0.1
66.73257	0.1
69.12334	1.1
80.96518	0.3
99.54736	0.2
109.97264	0.2
135.01344	0.2
185.92758	0.2
209.11908	0.2
229.87914	0.2
280.23578	0.2
453.33054	0.2
500.35934	0.2
527.04749	0.2
546.39191	0.2
579.28296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06077	0.3
61.98827	100.0
65.82880	0.3
70.01711	1.0
71.80084	0.3
78.95903	0.5
80.96513	1.6
85.26575	0.3
92.50078	0.3
96.05014	0.3
96.96014	1.0
98.22579	0.3
122.97606	0.3
225.00810	0.5
295.23056	0.5
511.06506	0.3
579.28546	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.0
69.15894	1.5
71.01378	0.4
73.56464	0.3
74.32756	0.2
75.57976	0.3
78.95901	5.6
78.96334	0.4
78.98614	0.4
79.95744	0.7
80.96511	4.5
87.00839	0.2
94.98076	0.9
98.21888	0.7
106.98070	0.3
125.02500	0.3
148.99127	0.3
152.99603	1.2
164.98584	0.5
165.76082	0.2
168.04347	1.3
196.39203	0.2
224.06958	1.1
225.00700	0.9
242.07932	2.9
256.70972	0.3
261.22226	0.3
278.22168	0.3
279.23270	100.0
280.23615	3.3
471.14905	0.3
504.30927	37.4
505.31262	1.7
531.46405	0.3
578.27161	7.5
579.26642	0.7
587.04138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50354	1.0
54.57253	1.0
59.01376	23.6
61.98824	10.7
71.01384	2.9
78.95903	20.0
78.98577	2.6
79.95741	3.8
80.96511	24.1
85.02950	1.2
87.00877	2.1
88.95925	1.0
94.98096	6.0
96.83526	1.0
98.22636	1.8
106.98064	1.5
116.92884	1.1
134.97542	1.1
148.99118	1.7
152.98508	1.4
152.99580	4.0
153.43256	1.0
164.98637	4.6
168.04344	2.6
209.11784	1.6
224.06903	7.8
225.00844	5.0
226.01074	2.7
242.07988	3.3
279.23282	100.0
280.23633	2.5
433.44885	1.2
504.30939	77.1
505.31140	3.5
518.41937	1.0
544.65234	1.1
578.27191	39.1
579.26697	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.2
59.29717	1.9
61.98824	4.8
69.65022	2.2
71.01364	6.7
78.95928	2.7
79.95745	2.1
80.03568	2.0
80.75875	1.8
96.96011	100.0
106.04224	3.6
113.02448	4.7
161.09709	7.3
167.03476	3.2
177.98857	2.0
186.99281	5.1
191.05608	4.8
198.99182	2.7
201.00726	2.0
202.01178	2.0
205.08690	8.6
210.99130	2.8
229.00273	10.6
261.04510	4.1
271.01550	2.2
276.89648	2.2
303.05573	3.3
321.06705	3.5
357.06717	2.3
373.04538	5.3
375.07443	6.8
405.08688	5.9
465.10480	2.9
519.11938	3.5
535.29492	4.3
579.13934	22.4
579.31494	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	579.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03562	0.7
59.01371	1.1
61.98823	0.8
66.44247	0.5
68.99483	0.8
68.99815	11.4
71.05880	0.8
74.95571	0.7
79.70463	0.6
93.03446	0.7
107.01403	0.8
108.01449	1.2
108.02160	15.9
109.02951	2.9
117.03377	0.8
121.02939	2.3
122.03681	2.2
123.00864	2.7
123.03606	0.9
123.04517	19.5
132.02161	2.3
133.02917	0.9
134.03703	2.3
135.04530	3.3
136.01616	1.0
137.02457	0.8
138.03212	1.8
145.03018	0.7
147.04445	1.4
148.01683	0.9
149.02435	16.7
150.03241	7.5
151.03958	0.9
152.01169	4.9
160.01611	2.1
161.02409	4.4
162.03209	9.2
163.04001	8.7
164.04776	21.6
165.05534	1.7
166.02692	1.4
167.03493	3.5
169.05135	1.2
174.03180	1.1
175.04012	3.0
177.05556	12.9
178.02711	21.8
178.06212	2.1
179.03502	1.3
179.07127	7.7
189.05629	1.3
190.02661	2.6
191.05519	0.9
192.94846	0.6
193.01408	13.9
193.05042	47.7
194.05740	3.0
203.03471	0.7
205.05037	2.6
207.02885	1.3
208.03754	39.6
218.05783	1.5
221.08075	0.9
222.05284	1.4
223.06096	90.0
224.06415	2.0
265.07233	1.8
300.09790	0.8
313.07220	1.7
327.12711	0.9
328.09482	3.2
343.11795	12.8
350.95972	0.6
373.12930	13.7
375.42538	0.7
387.10788	1.2
397.11447	0.7
417.11874	100.0
418.12091	3.2
459.12979	1.8
579.17059	2.1
584.60754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
58.02974	6.3
59.01377	26.7
61.98832	2.9
70.02975	7.3
71.01377	16.6
72.00919	1.7
72.04539	1.4
73.02959	4.9
74.02470	36.2
83.01392	4.5
85.02956	5.0
85.09161	1.0
87.00882	1.2
89.02440	12.6
93.03493	1.7
95.01395	1.6
96.96020	3.4
97.02986	1.5
98.02487	6.2
101.02435	7.8
107.01369	2.1
109.02953	2.5
111.00944	1.3
113.02444	7.5
116.03541	11.2
116.05052	14.5
116.92860	3.8
119.03501	3.3
121.03004	1.0
123.04522	1.9
125.02466	2.3
130.06636	2.0
131.03468	1.2
133.02959	3.0
135.04523	1.6
137.02420	2.2
141.06973	1.1
142.06607	3.6
143.03520	1.9
149.02461	2.4
149.04524	2.3
150.03235	1.9
151.00363	3.8
151.04060	1.6
159.09264	3.0
161.04594	1.7
167.03453	2.7
171.04482	2.3
173.04526	1.6
175.04010	1.4
177.01956	1.9
179.05618	2.3
186.05504	1.4
191.03679	1.2
191.05629	6.3
192.29573	1.2
193.31761	1.1
199.03998	1.8
201.10304	2.7
203.08261	38.2
205.01357	1.9
217.05051	1.2
223.07729	1.1
235.02405	1.4
245.09311	100.0
263.75967	1.1
269.08096	1.4
281.08368	1.6
283.02286	1.2
284.03287	12.7
285.04050	96.8
286.04346	2.7
293.08643	1.4
297.07590	3.1
298.80621	1.2
309.07794	2.2
339.08713	23.9
351.08463	1.8
369.09760	15.3
369.13910	1.7
398.86237	1.1
459.13062	9.5
459.92783	1.1
475.22281	2.3
489.14114	3.3
493.22748	1.8
519.24390	10.1
579.15936	53.5
579.30334	3.0
580.15570	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	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50661	0.6
59.01378	100.0
66.97829	0.6
68.99812	3.0
71.01392	0.9
81.79790	0.6
81.81983	0.5
83.01381	0.8
93.03450	1.1
98.21796	1.3
108.02191	4.1
109.02920	1.1
121.02960	1.4
123.00881	1.9
123.04549	3.6
125.02470	1.3
126.90425	15.7
133.02948	1.0
134.03757	5.0
136.01669	0.8
137.02518	0.9
138.03244	1.8
147.04578	0.8
149.02448	3.8
149.06107	1.4
150.03249	3.3
151.04079	1.5
153.05589	0.8
158.66066	0.7
161.02507	0.9
161.04547	0.7
162.03253	1.7
163.04027	2.3
164.04788	5.0
165.01894	1.0
165.05547	3.7
167.03497	0.6
173.04532	0.8
175.00369	0.7
175.04002	3.1
177.05588	2.9
178.02715	7.4
179.07202	1.7
189.05592	1.0
190.06390	2.1
191.05658	2.1
192.99802	0.7
193.01419	4.1
193.05051	21.3
194.05801	0.7
203.07146	0.6
204.07600	0.6
205.05060	1.1
208.03752	9.8
222.05472	1.2
223.06082	23.5
233.04555	0.9
263.05563	0.9
267.06696	1.3
269.08313	1.8
273.93311	0.6
279.06729	1.4
281.08139	2.7
282.08932	0.7
293.08032	0.7
294.09103	1.8
296.10815	1.0
297.07700	7.6
307.09796	0.7
308.10733	1.3
309.07767	10.1
309.11362	3.3
312.10010	6.9
312.13297	0.8
323.09302	0.8
324.10010	11.2
325.10583	0.6
327.12372	47.2
328.09384	1.2
328.12976	1.3
339.12335	36.3
340.12662	1.0
343.11993	2.3
357.13437	0.7
373.12836	2.7
417.11823	29.3
418.12387	0.9
459.13150	0.7
523.52802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
54.01397	0.6
61.59426	0.6
67.72330	0.7
71.50037	0.7
82.51942	0.7
85.02927	0.8
98.21857	1.2
109.02941	2.3
118.48257	0.7
123.00875	1.3
137.02452	8.9
139.76492	0.6
149.02448	0.9
151.00366	14.1
151.03995	2.2
152.01068	0.9
152.04778	3.0
166.02711	57.1
167.03413	2.2
177.01895	3.1
181.05060	76.7
182.05302	1.3
190.06419	1.1
191.03569	0.7
192.04250	1.5
205.08669	1.7
207.06570	1.1
222.85547	0.7
359.11246	1.5
371.15036	0.9
387.10797	18.6
402.13199	7.8
417.15530	100.0
418.15848	4.8
470.63541	0.9
517.35950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
59.01377	20.2
61.98825	4.7
66.81475	0.6
67.01875	1.2
69.03455	1.0
69.07650	1.5
69.08067	3.0
71.01385	8.9
71.04982	0.6
72.99279	0.7
73.02943	4.7
75.00844	0.8
83.01378	5.0
83.05030	1.5
85.02953	4.3
87.00877	2.7
88.47942	0.6
89.02435	3.4
93.03456	2.9
95.01395	0.8
95.05021	0.7
97.02954	0.8
97.06564	1.1
99.00921	1.1
101.02438	7.4
103.90498	0.6
107.05045	2.7
108.02172	29.3
113.02438	3.9
113.06128	1.6
115.04032	1.5
119.03455	1.2
120.05790	0.9
122.03719	1.2
123.04523	13.8
135.04547	2.0
137.02478	0.8
139.04013	7.9
141.09210	0.6
143.03517	0.9
149.06058	1.5
152.01147	61.0
153.01791	1.5
157.05014	1.0
159.02971	2.3
161.04555	1.8
161.09732	4.0
161.13362	2.3
163.11287	1.9
165.05524	0.8
166.02750	1.2
167.03490	100.0
168.03833	1.4
173.04593	3.4
175.07692	0.9
181.05049	2.3
187.11292	6.7
189.09239	5.2
191.05605	9.1
201.04033	3.4
203.10796	1.6
205.12383	3.0
207.10242	2.7
211.73096	0.8
223.13406	3.6
229.12302	1.4
231.10312	3.7
249.11310	4.2
267.12390	3.2
273.11270	1.2
291.12326	1.4
303.21799	0.7
309.13425	1.5
315.12308	1.6
329.08850	1.1
333.13364	2.7
351.14294	1.2
411.16553	15.4
417.15610	2.1
465.27078	2.4
475.29166	1.9
519.31927	6.9
535.21588	0.9
537.32312	0.9
561.20361	0.8
561.33557	0.7
578.34857	0.8
579.20807	20.8
579.33844	20.6
580.21558	0.9
580.34021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
59.01377	2.0
61.98828	2.5
69.13570	2.2
70.83466	0.3
71.01380	1.8
73.02931	0.8
83.01376	0.4
85.02949	1.0
89.02436	0.4
89.12514	0.3
93.03474	0.4
95.01388	0.8
101.02424	1.2
109.02914	1.8
113.02453	0.6
117.89536	0.3
121.02979	2.1
123.00896	2.0
123.04485	0.3
125.02423	1.0
125.42812	0.4
137.02435	8.2
138.03264	0.6
139.03998	0.5
149.02448	1.2
150.03242	1.6
151.00369	15.9
151.04036	1.2
152.01138	1.2
152.04788	3.1
153.01833	0.4
159.04462	0.4
161.04457	0.6
162.08701	0.4
163.04007	0.5
165.01956	0.8
165.05565	1.8
166.02707	54.9
167.03462	2.7
173.02356	0.3
175.03989	1.5
177.01927	2.5
177.05576	0.6
179.03461	0.8
179.07133	0.5
181.05055	68.9
182.05412	1.3
184.03638	0.4
190.02765	0.5
190.06329	1.3
191.03450	0.4
192.04292	1.3
193.05058	0.9
195.03139	0.3
195.06613	1.1
205.05006	1.0
205.08667	0.7
207.06575	1.1
209.04596	0.4
219.06590	0.5
236.06815	0.4
257.08237	0.5
259.09576	0.4
329.09970	0.5
341.10107	0.4
357.09570	0.4
357.13382	0.5
359.11368	1.8
371.15128	0.7
387.10822	14.2
387.15860	0.7
388.11188	0.6
402.13156	7.4
417.15521	100.0
418.15897	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	579.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23252	0.7
55.01883	0.8
56.06857	0.6
57.03445	1.2
59.01376	42.7
61.98821	1.0
68.99834	1.2
69.03448	1.0
69.69602	2.4
71.01382	18.3
72.99279	0.8
73.02960	5.2
81.03463	0.9
83.01392	3.5
85.02966	5.5
87.00878	1.8
89.02442	16.1
92.84438	0.8
93.03455	1.6
95.01385	1.8
97.02933	1.8
99.00859	1.1
101.02440	12.2
107.01380	2.8
107.05042	1.0
109.02941	1.6
110.46310	0.7
110.56791	0.6
111.00890	1.3
111.04508	1.5
113.01701	1.1
113.02454	14.6
113.03232	0.9
114.73224	0.6
119.03517	6.9
119.78719	0.7
121.02927	2.3
123.04515	1.5
124.01744	0.8
125.02441	3.1
131.03534	1.0
133.03001	1.1
134.03714	1.0
135.04544	1.7
136.01636	1.2
137.02451	3.4
138.77232	0.7
139.04005	3.1
143.29355	0.7
145.06587	1.2
147.04416	0.8
149.02391	3.3
149.04523	1.0
150.03195	3.1
151.00391	3.8
151.03987	1.9
161.02484	1.4
161.04503	3.9
162.03157	0.9
163.03984	1.2
164.04726	0.8
165.01932	2.0
165.05560	3.4
166.02692	7.7
167.03523	4.1
169.06490	1.0
171.04500	2.5
175.03947	1.4
177.01921	2.3
178.02625	1.7
179.03448	2.8
179.05586	3.5
181.05070	11.3
183.08139	1.5
191.03442	1.3
191.05577	1.7
193.01363	1.9
205.01408	2.5
205.05016	0.9
211.07623	2.9
219.02962	1.4
223.07649	1.0
225.09116	1.2
227.07175	1.2
235.02521	2.7
247.02492	0.8
249.09120	1.8
253.08801	1.3
255.06644	1.1
255.10220	1.5
261.03946	0.9
265.03546	0.9
265.08432	0.8
267.06635	1.2
268.07318	0.9
269.08105	1.8
281.08109	2.8
285.04025	2.1
297.07761	5.7
309.07574	4.8
311.09192	2.0
321.07568	0.8
323.09195	1.3
327.12167	1.7
337.07169	1.0
339.08716	44.2
340.08990	2.3
351.08621	3.0
369.09778	27.6
369.14450	1.4
370.09961	1.6
381.09796	2.0
387.10428	1.4
399.10745	3.3
402.12930	1.6
411.11026	0.9
417.15646	13.9
455.72885	0.8
459.12918	19.5
460.13580	0.9
463.21985	0.8
469.51385	0.8
475.21872	17.3
476.54620	0.7
489.14050	7.2
493.22894	15.9
494.23318	1.0
523.68561	0.8
535.24225	1.9
561.16296	1.7
566.73517	0.9
579.17139	100.0
580.17584	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62965	0.7
59.01373	2.8
69.89985	1.5
70.59015	0.8
71.01376	1.3
73.02959	1.0
83.05156	0.7
85.02945	5.7
87.00891	1.7
87.60104	0.7
93.03490	1.7
96.96013	2.7
97.72659	0.6
102.16626	0.8
125.02430	0.9
127.04002	1.6
135.04472	1.5
161.02472	1.5
173.04585	1.1
181.12804	0.7
191.05612	100.0
192.05917	1.2
196.26855	0.8
212.58568	0.8
293.08792	0.9
353.08783	10.6
392.98395	0.8
476.26224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	2.2
67.21021	1.1
71.01382	37.6
73.02946	2.9
78.95901	1.2
79.95761	1.8
83.01399	2.4
85.02957	10.3
89.02442	42.3
95.01424	1.8
96.96011	36.5
98.21771	2.9
101.02436	19.9
107.05033	1.7
111.00839	1.8
113.02438	14.0
119.03494	17.6
120.38135	1.3
131.03510	2.0
137.09691	1.8
141.09224	2.5
143.03482	2.4
149.04527	2.2
161.04517	6.3
169.08730	6.7
179.05603	10.9
191.05605	3.0
197.04501	2.8
213.07635	5.5
255.03015	2.6
257.06601	2.1
283.02478	10.8
285.04050	5.2
289.02374	1.5
333.15292	1.5
362.22592	1.6
362.78510	1.4
387.20062	4.1
417.08215	2.0
446.08517	2.6
460.61954	1.5
519.24506	94.9
520.24829	4.7
531.11743	1.5
535.42676	1.6
579.13489	3.5
579.22546	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.98827	22.2
63.96222	0.8
70.48790	0.9
71.01378	6.1
73.02945	2.2
78.95901	0.8
78.98601	5.4
79.95735	9.5
80.96513	59.0
81.03432	0.6
83.62859	0.5
85.02918	2.5
87.00872	2.1
94.98082	13.8
96.96049	0.8
97.02942	1.9
99.00844	0.7
101.02444	2.1
105.24645	0.5
106.98069	2.9
122.97567	5.4
125.02425	2.5
127.03992	0.8
134.97577	4.2
136.99132	1.4
146.97522	0.6
148.99139	6.2
152.98628	6.4
155.15416	0.5
164.98615	11.0
182.99663	1.9
195.77525	0.4
206.99684	3.2
212.44272	0.5
225.00713	18.8
233.25531	0.5
243.01805	1.9
255.95676	0.5
275.27527	0.5
279.23318	2.9
281.24799	4.8
299.04367	2.3
506.32321	1.7
579.28412	100.0
580.28552	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.9
61.98817	3.0
67.79501	1.0
69.03430	1.1
71.01374	5.4
73.02924	2.2
77.94671	0.9
78.95919	1.2
78.98589	5.7
79.95730	9.4
80.96519	58.7
82.02880	1.0
85.02943	3.8
87.00882	1.9
89.02409	1.4
94.98098	12.3
96.96024	11.0
97.02921	2.1
99.00885	1.0
101.02422	2.9
106.31731	1.1
106.98072	3.7
113.02382	1.0
122.97560	2.8
125.02439	2.2
134.97557	5.0
136.99133	1.0
142.94853	1.1
148.99123	4.3
152.98611	2.9
164.98624	11.6
169.25398	1.0
206.99770	1.3
209.11818	4.2
225.00757	12.8
255.23253	2.5
271.22314	1.0
279.23340	1.5
295.22726	2.8
299.04401	3.2
326.56216	1.1
505.30322	1.3
579.28461	100.0
580.28619	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37918	0.6
59.01389	1.5
61.98822	1.0
63.96239	1.0
69.03448	0.7
70.93837	0.7
71.01376	6.3
71.49984	0.6
72.62298	0.5
73.02946	1.8
78.95893	1.0
78.98585	5.5
79.95734	10.3
80.96516	58.6
85.02949	2.6
87.00869	2.2
89.80884	0.6
94.98086	14.1
96.96009	13.3
97.02936	1.9
101.02448	2.1
102.79333	0.6
106.98092	2.6
122.97582	5.1
125.02416	2.9
127.04006	1.1
130.30191	0.7
134.97586	3.7
136.99149	0.9
148.99153	4.4
152.98631	5.5
164.98634	10.8
182.99698	1.8
206.99706	2.0
225.00745	16.0
243.01750	1.5
245.04243	0.9
253.21660	0.7
279.23447	2.9
299.04404	2.7
337.31787	0.7
537.75818	0.8
579.28436	100.0
580.28674	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06486	100.0
93.58257	13.9
98.22645	27.8
98.93551	15.5
192.24141	15.7
396.64545	16.8
485.53091	16.4
528.33478	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34261	0.9
50.45850	1.0
55.51023	1.0
57.64060	1.0
59.01380	5.2
60.99311	5.1
61.98807	1.8
62.56380	1.0
68.02523	0.9
69.91447	2.9
71.01371	1.7
78.95897	5.5
80.96523	2.5
82.21659	0.9
82.96111	2.5
87.00870	6.2
88.00349	1.1
88.98805	27.6
89.02442	100.0
103.92017	2.3
141.91206	1.1
155.79897	1.0
179.92854	6.8
181.92535	2.7
279.23126	6.1
280.23627	12.8
295.26395	1.7
296.26855	2.1
397.20435	3.5
398.20840	3.9
413.19766	1.7
414.20413	2.7
432.16870	1.8
439.21539	3.7
440.21817	10.7
470.22977	1.2
474.46506	1.2
491.15073	1.1
505.31296	11.9
542.25476	9.7
543.17419	1.9
543.25745	36.8
544.25726	1.7
579.27246	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	579.3385
Annotation	Lanceolitol B4
Peak:m/z	Relative Intensity
55.01874	1.5
57.03444	3.7
59.01377	33.7
59.92644	0.4
59.99738	0.4
60.01697	1.1
61.35118	0.5
61.98827	8.4
67.01874	1.2
67.97723	0.5
69.03458	1.4
71.01379	17.3
71.05012	1.1
72.99303	1.9
73.02948	7.7
75.00846	1.0
81.03451	1.4
83.01388	5.3
83.05018	0.8
85.02948	13.3
87.00879	3.4
89.02439	7.3
93.03458	7.8
95.01391	1.4
95.05008	1.3
96.96009	0.6
97.02983	0.5
97.06570	1.6
99.00878	1.9
99.04510	1.0
101.02442	13.1
102.02764	0.6
107.05047	1.3
108.02167	12.4
109.02962	1.0
111.00877	1.7
111.04524	1.4
113.02443	7.7
113.06068	2.3
115.04015	3.5
119.03498	2.0
123.04532	4.8
123.08163	1.9
125.02449	0.8
125.06139	0.6
127.04062	0.6
129.01927	1.5
129.05559	0.7
131.03494	0.5
134.03731	1.1
135.04495	1.5
136.01601	0.7
137.02408	1.0
139.04001	17.3
141.09209	0.6
141.12856	0.5
143.03497	1.5
149.06111	1.4
151.03995	0.9
152.01157	24.3
155.03511	0.6
157.05070	1.2
159.02980	3.8
159.10207	0.6
161.04541	1.5
161.09735	1.9
161.13354	0.9
163.11320	0.8
166.02689	1.6
167.03484	34.2
168.03810	1.0
169.12224	0.6
171.13948	1.3
173.04578	7.7
173.06029	1.2
178.02693	0.7
179.05640	1.3
181.05090	1.3
187.11252	2.5
189.01947	0.5
189.09227	1.7
191.05598	19.1
191.07300	1.0
192.05951	1.9
199.13303	1.1
200.14090	0.7
201.04037	6.8
201.14856	0.7
203.10861	0.8
205.12291	1.0
207.10416	0.5
211.53667	0.6
214.04913	0.5
223.13324	1.2
231.10124	1.3
245.08113	0.7
246.08827	0.5
249.11385	1.3
267.12299	0.7
319.33115	0.5
331.17618	0.7
333.13519	1.0
346.19583	0.6
347.19644	1.1
357.26135	0.6
362.19540	1.8
364.20615	1.2
365.20850	0.8
369.13290	0.6
371.28000	2.2
387.14645	0.7
405.15704	0.7
411.16565	5.8
417.15680	2.2
417.24319	1.0
417.29132	1.0
465.26794	3.9
475.29181	1.7
481.66711	0.6
493.30246	0.8
519.31757	12.8
532.51782	0.7
535.31024	1.0
537.32227	1.8
547.20856	0.7
561.19928	1.5
561.32831	6.5
579.21667	7.1
579.33917	100.0
580.34338	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	579.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
60.01702	0.8
60.99292	3.3
69.89242	1.9
71.01375	2.0
78.95905	4.4
87.00858	4.6
88.00381	1.5
88.01218	1.4
88.98804	25.1
89.02442	100.0
91.42246	0.8
103.92027	2.2
108.52529	0.8
116.83297	0.8
120.72238	0.7
123.90191	1.1
141.91264	1.2
143.88565	0.7
148.90964	0.9
179.92793	5.0
180.93257	1.6
181.92552	1.3
184.01387	0.7
192.26387	0.6
204.50108	0.8
217.98842	0.9
224.06963	0.9
267.67548	0.8
279.23215	6.2
280.23636	13.1
280.26611	1.3
288.28922	0.8
295.26459	1.6
296.26782	2.4
397.20697	2.0
398.20972	4.9
413.19940	1.8
414.20322	3.0
432.17111	0.8
439.21588	6.2
440.21783	12.2
470.22595	0.8
504.30896	1.7
505.31339	11.9
513.25360	0.9
542.25507	7.0
543.17432	1.7
543.25775	31.6
579.25653	1.8
594.94037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88157	0.1
53.78516	0.1
59.01368	1.3
61.98827	100.0
67.63209	0.1
69.26431	0.7
71.01385	0.2
78.15907	0.1
82.95429	0.2
85.40336	0.1
89.02462	0.3
93.03452	0.2
96.96046	0.2
105.38634	0.1
113.02442	0.3
121.41833	0.1
136.01645	0.2
137.02338	0.1
148.39433	0.1
151.04068	0.2
152.02417	0.1
162.28804	0.1
191.05644	0.5
195.06804	0.1
196.91945	0.1
254.18597	0.1
265.47015	0.1
338.11453	0.2
357.13467	0.2
358.14053	0.2
390.43137	0.1
467.84360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74579	1.5
58.36006	1.6
59.01366	5.4
61.98825	11.6
69.09379	6.1
69.09796	5.2
80.52732	1.5
93.03436	2.4
95.05024	2.0
98.21831	2.7
101.02404	2.6
106.22001	1.8
110.97164	1.8
119.05959	1.6
121.02969	3.1
122.03735	2.2
133.99864	2.0
134.03741	14.9
137.02440	4.0
146.03673	4.7
149.02437	25.4
149.06035	4.8
150.03232	24.9
164.04803	11.0
165.01920	10.3
165.05562	45.0
178.02716	7.4
179.07133	15.4
180.04286	7.1
191.05582	2.9
193.05048	25.7
195.06625	53.0
225.07709	9.1
297.07825	2.4
312.09976	16.2
327.12354	100.0
328.12811	2.9
354.24094	1.9
371.11197	5.3
375.14450	40.2
383.71295	2.2
419.13428	3.5
424.23218	3.9
438.15433	2.6
580.28174	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	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.70583	0.4
70.50011	0.6
78.95934	0.5
80.96516	0.5
88.98824	0.9
89.02467	0.5
96.96033	1.3
156.59322	0.4
221.15202	0.4
351.10745	0.5
360.07434	0.4
392.90689	0.5
452.51669	0.4
454.87872	0.4
459.33417	0.5
503.51526	0.4
581.30237	1.1
583.63330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71642	0.2
57.37373	0.2
59.01376	13.9
59.43155	0.2
61.98819	1.1
64.23947	0.2
69.69906	0.3
78.95477	0.4
78.95899	4.8
80.96502	0.5
85.00442	1.2
95.26566	0.2
101.23856	0.2
103.25887	0.2
104.51157	0.3
108.16336	0.3
152.99577	1.5
168.04335	1.3
224.06891	0.9
226.72609	0.2
242.07990	2.1
281.24835	100.0
282.25064	2.2
450.58524	0.3
506.32492	35.7
507.32843	1.0
520.77765	0.3
574.08514	0.3
580.28638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74864	0.4
57.16888	0.5
59.01376	18.3
61.98810	1.5
68.88082	0.5
69.16359	2.4
75.00864	0.8
77.29925	0.4
78.95899	18.3
93.98266	0.4
96.96003	0.6
96.99689	0.3
113.15158	0.4
122.98535	0.4
152.99553	3.0
168.04337	2.2
174.33162	0.5
207.78796	0.4
216.43967	0.5
224.06886	8.0
242.08011	1.9
281.24835	100.0
282.25134	3.2
337.30191	0.4
506.32483	77.1
507.32947	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	580.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02423	0.2
61.98825	100.0
78.95918	0.4
96.95949	0.4
116.73621	0.2
140.51714	0.2
165.01805	0.2
175.04047	0.4
250.43652	0.2
305.84482	0.2
333.48019	0.2
440.79248	0.2
506.32556	0.3
508.74432	0.2
522.31317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58654	0.1
59.01378	0.2
61.98827	100.0
64.24385	0.1
67.47038	0.1
70.49218	0.1
70.49549	0.1
70.62971	0.1
78.95917	0.2
80.96486	0.1
95.79090	0.1
96.96002	0.1
101.23201	0.1
103.40167	0.1
113.84039	0.1
120.41857	0.1
130.66577	0.1
157.75037	0.1
187.74428	0.1
218.47928	0.1
227.43706	0.1
581.30139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54224	0.4
60.52549	0.4
61.98827	100.0
64.63205	0.4
65.21935	0.3
69.13629	0.9
69.14037	1.3
72.74165	0.4
77.87502	0.4
78.51763	0.4
78.95933	0.5
80.96527	0.6
90.68864	0.3
92.92798	0.6
94.92523	0.5
96.95974	0.8
98.21952	1.2
98.22625	0.7
116.01135	0.4
154.89850	0.6
171.84222	0.4
250.60031	0.3
414.06442	0.4
537.15320	0.5
581.29962	1.3
582.47418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98827	100.0
66.24928	0.3
70.26737	0.3
78.95920	1.1
93.03455	9.8
121.02956	2.9
133.33647	0.3
137.02443	14.2
152.99603	1.0
163.33336	0.3
167.38115	0.3
170.77318	0.3
178.82831	0.4
189.13004	0.3
191.02342	0.3
221.02490	0.3
242.08513	0.3
251.09422	0.3
279.20276	0.5
279.23257	5.7
280.23608	5.9
281.23880	4.4
282.24225	1.0
452.02664	0.4
455.75507	0.3
458.30515	0.3
504.31107	0.9
506.31595	2.7
507.31937	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	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51748	0.8
52.91602	0.7
59.01366	1.7
61.98822	3.9
65.92516	0.7
69.51134	3.0
71.01382	1.2
71.52793	0.8
80.34604	0.7
83.83053	0.7
89.02477	1.1
90.13496	0.7
98.22557	1.2
134.03741	45.7
137.02425	6.5
139.04041	1.3
147.04649	0.8
149.06071	12.0
150.03212	2.4
151.03922	1.0
160.01640	1.1
165.01921	33.2
165.05569	2.0
166.05920	1.1
169.69124	0.9
178.02701	25.7
179.03482	6.5
180.04283	21.5
180.07411	0.9
191.05510	1.1
193.05048	100.0
194.05528	2.3
195.02971	1.2
195.06625	31.4
196.06932	2.8
201.09187	2.2
203.23409	0.8
209.06236	1.5
209.12677	0.8
210.05307	4.1
225.07663	30.7
269.08154	1.0
271.37625	0.8
297.07706	3.9
312.10068	2.3
371.11404	13.9
375.14639	0.9
381.15497	1.8
419.13467	14.2
425.58197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73562	0.3
55.15154	0.3
59.01380	0.6
69.08473	2.3
93.03458	1.6
93.17354	0.4
99.61147	0.3
121.02969	3.8
122.03748	3.5
134.03735	0.9
135.04520	4.1
137.02457	0.4
147.04520	0.6
149.02441	22.0
150.03226	30.6
151.03757	0.5
152.01137	2.3
157.25595	0.4
163.04028	3.3
164.04793	18.3
165.01926	1.1
165.05566	37.8
166.05856	0.3
169.05049	1.0
172.98036	0.4
179.07153	5.0
180.04312	1.8
190.02710	0.5
193.01424	11.1
195.06628	29.8
196.07022	0.6
208.03773	27.3
209.04199	0.7
223.06116	100.0
224.06462	2.1
265.07153	1.4
371.11047	0.6
375.14426	0.4
419.13486	13.7
442.93896	0.3
470.45801	0.4
581.18677	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01380	6.2
61.98834	7.2
68.99830	1.0
69.03458	1.5
69.24490	2.0
69.24878	2.0
71.01381	3.6
73.02946	2.3
78.02296	0.7
81.03451	5.8
83.01392	2.6
85.02943	3.3
89.02469	1.8
90.07649	0.7
91.78196	0.7
93.03462	2.0
93.81106	0.7
95.01384	1.6
95.05019	4.5
96.95993	0.8
97.02953	4.3
99.00891	0.8
99.04505	1.5
100.04073	1.3
101.02469	1.3
107.05049	1.8
108.02181	0.7
109.02930	2.2
109.06587	1.3
111.04533	2.3
113.02454	4.4
114.02809	0.9
114.46233	0.7
116.92871	0.9
121.02935	1.2
123.04505	4.8
125.02453	13.5
131.05028	1.5
135.04544	2.1
136.05386	1.0
137.02454	7.3
137.06056	2.1
139.03996	3.9
145.06654	0.8
147.04469	1.0
147.08087	1.0
149.02451	1.5
149.06105	1.5
150.03227	1.4
151.03993	2.9
151.07632	1.3
153.05547	1.6
155.03493	0.8
163.04071	1.5
164.04753	1.2
165.01939	1.6
165.05525	2.8
166.02747	2.5
167.03500	15.1
171.08025	0.9
173.06050	7.4
175.03929	0.9
178.02728	1.2
179.03526	3.5
181.05080	2.3
191.03436	1.0
193.05048	1.1
197.04541	7.6
209.04568	4.0
213.09258	4.4
223.06087	1.3
227.10796	3.0
229.08693	3.4
239.05556	10.4
239.07617	0.9
255.10306	1.4
257.08240	13.1
257.11777	7.4
267.10455	1.1
269.06516	3.3
269.08340	3.7
283.09705	2.9
287.09204	1.0
289.02252	0.9
299.09216	17.6
299.12439	1.3
311.09293	10.7
323.09229	1.3
325.10840	2.2
329.10327	13.6
332.13126	2.6
341.10294	15.5
342.10519	1.0
353.10291	3.6
355.12061	1.9
371.11337	100.0
372.11670	3.1
383.11414	5.4
401.12372	50.6
402.12445	1.9
413.12360	2.7
419.16782	1.7
431.13452	1.2
443.13306	5.5
461.14511	12.3
473.14569	10.4
491.15604	12.0
492.15414	1.1
521.31848	3.0
563.18152	2.4
581.18854	9.9
581.25830	2.9
582.19696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08908	0.2
55.01666	0.3
55.01892	0.4
56.90464	0.2
57.03450	0.3
59.01373	1.6
61.98860	0.8
65.03997	0.4
67.01879	0.5
68.99838	0.6
69.03169	0.2
69.03450	1.0
69.53516	0.4
69.53898	0.4
69.64639	0.2
71.01380	1.7
73.02992	0.8
75.36136	0.2
79.01927	0.2
80.02692	0.2
81.03454	8.2
82.95472	0.5
83.01384	5.4
83.05048	0.5
85.02956	1.2
86.96437	0.2
91.05581	0.8
93.03455	2.1
95.01377	1.6
95.05029	5.2
95.05587	0.3
97.02949	4.8
98.21951	0.5
99.00926	0.5
99.04527	2.0
101.02464	0.6
102.61108	0.2
105.03498	0.4
106.04290	0.3
107.01433	0.8
107.05023	2.0
108.02228	0.9
109.02956	3.1
109.06599	0.8
110.51254	0.2
111.00919	0.7
111.04502	2.0
113.02448	2.5
113.03148	0.3
117.03497	0.4
119.05070	0.9
121.02959	3.4
121.03722	0.3
121.06655	1.0
122.03781	1.3
123.00959	0.9
123.04524	9.3
124.01699	0.6
125.02452	10.5
125.06127	0.5
127.52137	0.2
129.07085	0.3
131.05040	1.6
133.03036	0.4
133.06604	0.6
134.03754	0.3
135.04526	2.5
135.05336	0.2
136.01711	0.3
136.05318	0.8
137.02448	5.8
137.06084	3.6
138.03249	0.6
139.04015	5.4
145.06660	0.8
147.04509	2.0
147.08170	2.1
149.02411	1.4
149.06090	2.9
150.03261	1.1
151.03999	3.1
151.07681	1.1
152.01212	0.3
152.04897	0.3
153.05612	1.2
155.03537	0.8
156.05858	0.3
157.06654	0.6
159.04533	0.4
160.05289	0.3
161.02510	0.6
161.06140	0.3
162.03285	0.5
163.00455	0.3
163.03990	1.6
164.04797	1.6
165.01917	1.9
165.05568	2.8
166.02695	1.7
167.03494	19.4
168.03880	0.3
169.06593	0.4
171.08038	1.1
173.06065	10.6
175.04027	0.5
175.07640	0.4
177.02010	0.9
177.05632	1.1
178.02707	0.5
179.03491	4.0
180.04326	1.0
181.05087	1.4
181.06561	0.3
183.08231	0.9
185.09816	0.8
187.03993	0.4
187.07718	0.5
188.04793	0.6
189.05540	0.4
189.09283	0.7
191.03534	1.2
191.05560	0.3
192.04338	0.4
193.01524	0.3
193.04997	1.1
195.06624	0.3
195.08234	0.5
197.04520	5.0
197.09740	0.4
201.09322	0.2
202.02798	0.3
203.03435	0.4
204.04181	0.3
205.01472	0.5
205.05025	0.3
206.05846	0.3
207.02925	0.4
207.06535	0.3
209.04541	22.0
209.09738	0.5
210.05005	0.4
211.07631	0.7
212.08501	0.5
213.09229	6.3
215.07178	0.9
219.03117	0.7
220.03914	0.3
221.04604	0.9
223.06122	0.6
225.09215	1.5
227.07295	0.4
227.10719	2.9
229.08699	3.5
231.10320	0.6
233.04489	0.2
237.09317	0.6
239.05516	9.7
239.10817	0.6
240.08044	0.2
241.08862	0.6
243.10236	0.6
251.05656	0.9
251.10828	0.9
253.08803	1.5
255.06602	1.4
255.10332	1.5
256.02924	0.2
257.08237	9.9
257.11829	3.1
258.08646	0.3
265.08737	0.5
267.10336	0.9
269.06488	1.0
269.08682	3.8
269.11566	0.4
270.09024	0.4
271.09836	0.8
279.07254	0.2
279.10303	0.7
281.08688	1.1
281.11255	0.3
283.09686	2.9
284.10574	0.3
285.11005	0.3
287.09326	0.6
293.08313	0.4
295.09790	0.6
296.06995	0.4
297.07944	0.3
297.11362	1.0
299.09244	20.0
300.09622	0.6
307.09897	0.5
309.07706	0.7
309.11035	0.4
311.09262	10.9
312.09857	0.5
313.10751	0.6
323.09241	1.2
325.10825	2.7
329.10297	6.7
337.10678	0.3
338.07974	0.9
339.08740	1.0
341.10278	100.0
342.10635	3.4
353.10242	5.3
355.11856	1.2
365.10208	0.7
368.08847	0.3
369.09683	0.6
371.11334	76.0
372.11731	2.3
383.11316	4.2
385.12820	0.3
395.11414	0.3
399.14603	0.3
401.12402	24.4
402.12747	0.8
413.12338	1.8
419.17276	0.3
425.12463	1.0
431.13458	0.8
443.13446	9.8
455.13361	0.8
458.67569	0.2
461.14529	20.6
462.14737	0.6
473.14517	6.7
474.15018	0.3
491.15543	4.0
545.16632	0.6
563.17706	1.9
581.18677	14.8
582.18903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01374	7.7
61.98826	8.0
68.64137	0.8
69.03447	1.2
69.12147	4.3
71.01376	7.5
73.02943	1.2
82.39230	0.7
83.01406	1.0
85.02955	2.7
87.00876	2.0
89.02444	5.5
89.36894	0.6
93.03425	3.9
95.01418	1.3
96.95999	4.6
97.06598	0.7
98.95597	1.1
99.92597	3.4
100.93365	2.8
101.02448	4.5
109.02937	1.0
113.02467	3.1
115.92075	3.2
116.92862	10.8
119.03517	1.2
121.02961	6.6
121.19907	0.8
122.03757	4.9
123.04558	0.9
129.07578	0.7
135.04507	4.5
136.01617	1.0
137.02406	2.1
137.18913	0.8
147.04572	0.9
149.02441	30.8
150.03221	40.0
152.01143	2.8
155.03542	1.1
161.04582	1.0
163.03969	5.7
164.04802	22.1
165.01920	1.4
165.05563	40.5
169.05026	1.2
179.05730	1.4
179.07140	6.7
180.04294	4.0
181.05232	0.8
191.05594	5.3
193.01410	12.4
195.06622	38.2
208.03766	33.2
223.06108	100.0
224.06509	2.1
265.07108	1.9
275.09229	0.9
280.07343	1.3
371.11267	6.4
373.11948	0.9
419.13440	26.2
420.13788	1.1
517.14459	1.0
521.26147	3.9
535.27576	1.1
581.09467	1.7
581.17792	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	581.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17767	1.1
57.02008	1.3
59.01378	13.0
61.98822	14.9
68.99812	1.5
69.03465	1.7
71.01376	6.6
71.41571	1.5
73.02922	1.6
74.11201	1.3
74.37618	1.3
81.03458	9.9
83.01390	5.8
87.31270	1.3
89.02449	5.2
95.01396	2.5
95.05037	7.9
96.99316	5.1
97.02953	5.2
97.42975	1.4
101.02426	3.7
103.01473	1.4
108.02231	1.6
109.02931	3.4
111.04534	2.9
113.02461	3.2
113.90051	1.5
116.92912	1.4
119.03445	1.7
119.04959	1.6
121.02925	3.5
121.06536	1.4
121.94951	1.4
122.03735	2.8
123.04540	10.0
124.01644	1.7
125.02473	9.7
131.05029	1.8
135.04535	3.0
136.05281	2.9
137.02461	4.5
137.06050	3.3
139.04013	52.6
142.05682	1.4
147.04541	2.2
147.08215	1.6
149.02341	1.9
149.06061	2.5
151.04007	2.8
151.07628	4.1
164.04759	1.9
165.01903	1.8
165.05582	3.7
166.02707	2.5
167.03496	20.6
171.94699	1.4
173.06050	10.8
179.03407	3.2
181.05042	1.9
187.59128	1.5
191.03525	2.1
191.05614	2.1
197.04552	5.8
209.04544	22.3
213.09250	6.2
219.02925	1.4
229.08646	3.8
239.05515	11.4
239.10736	1.7
255.09999	2.7
255.13852	2.2
256.14197	4.4
257.08218	10.0
257.11826	16.2
257.14392	2.7
269.08481	2.2
269.11823	3.0
270.12039	3.2
283.09674	3.1
299.09274	18.6
305.14014	2.1
311.09225	9.0
323.09369	1.6
325.10956	2.3
329.10367	6.6
341.10248	100.0
342.10699	2.5
353.10327	5.0
361.15036	2.1
371.11331	73.5
372.11401	2.3
383.11285	4.8
401.12396	23.1
443.13541	9.1
461.14487	21.4
473.14581	5.5
491.15652	3.8
581.18439	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01382	28.0
61.98828	11.8
67.01876	3.2
69.03445	1.8
71.01370	11.4
72.99305	3.9
73.02934	2.9
81.03474	2.3
83.01359	1.5
83.05018	2.6
85.02939	9.5
87.00872	6.2
88.08824	1.1
89.02431	6.1
93.03465	26.2
95.05029	7.6
96.96008	9.5
98.95589	2.7
99.92584	4.5
100.93360	6.1
101.02446	4.9
108.02151	2.0
109.02999	1.5
111.04483	5.6
113.02458	4.0
113.21767	1.2
115.92062	6.0
116.92857	11.6
119.03500	1.5
123.04471	1.5
125.02438	1.9
127.04000	1.9
131.03502	1.3
135.04512	1.3
137.02426	3.0
138.03232	1.2
139.04008	100.0
140.04301	1.2
143.03496	1.4
147.04538	1.5
148.80760	1.1
149.03741	1.5
155.03500	3.9
161.04558	2.5
161.09903	1.4
166.02876	1.4
167.03465	4.5
173.04562	38.4
173.05988	2.9
174.03127	1.2
175.04025	1.7
175.07651	3.4
176.08517	1.1
177.05479	1.4
177.89107	1.3
179.05560	4.4
186.06812	1.5
187.07582	2.6
189.05641	1.1
189.36630	1.2
191.05614	50.8
192.06038	1.5
201.05707	1.8
201.09216	2.2
203.07123	9.1
204.07841	3.9
205.08636	3.7
213.95799	2.0
214.06354	1.5
214.96547	1.7
215.07047	1.9
217.08604	1.8
218.09471	1.2
229.08710	3.6
230.09435	4.4
231.10234	1.6
232.07379	8.7
233.08337	2.8
247.09789	6.5
248.10493	4.0
249.11209	1.8
279.65768	1.3
299.09262	3.7
301.14197	1.5
327.15973	2.5
329.13870	1.6
345.17169	2.4
359.28082	1.9
363.09171	1.4
371.14697	1.5
389.15991	12.0
394.12009	1.4
407.17090	11.3
461.14386	3.8
478.94287	1.2
521.33960	6.7
539.30804	2.8
545.07861	2.7
563.08478	1.8
563.21332	30.0
564.09625	1.3
581.09760	4.1
581.22229	12.9
581.30402	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	581.2036
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
59.01371	1.8
61.98836	7.0
69.26380	4.4
71.01387	1.4
87.60936	1.3
93.03450	5.4
98.22649	2.6
117.03484	8.8
119.05029	38.7
120.99644	6.4
121.02950	4.6
122.03732	16.5
133.02928	2.2
137.02435	1.4
138.03177	1.7
141.03058	1.4
145.01819	2.1
145.02951	22.6
147.04559	1.9
149.02451	20.7
150.03227	100.0
151.00389	1.5
151.03801	1.3
162.03258	1.5
163.04008	43.2
164.04761	5.1
165.05566	98.3
166.02690	4.2
166.05856	1.4
175.03992	20.3
177.05563	5.3
180.04300	7.8
181.05045	3.4
190.06346	10.1
195.06624	53.7
196.06940	1.4
203.06963	1.3
218.05869	6.9
218.07787	1.3
222.05316	5.2
238.06377	2.6
254.05988	2.5
266.05838	2.2
278.05853	4.9
279.06696	1.9
281.04691	2.9
281.08017	2.6
282.05392	1.5
294.05252	2.1
295.09506	1.7
306.05362	4.4
307.06039	3.7
309.04065	3.4
309.07468	2.5
310.04834	3.9
320.06973	1.5
321.07651	14.5
322.04834	2.6
322.08362	3.8
323.09085	8.1
324.06277	3.9
324.10025	3.2
325.07169	14.4
326.07874	2.7
336.10187	6.9
337.07123	14.0
337.10883	2.8
339.08768	13.2
339.12457	2.2
340.09464	10.5
341.10251	5.2
352.09436	3.8
353.10294	2.2
354.11145	6.8
355.11844	32.6
367.11850	42.9
368.12027	1.6
387.14349	1.8
459.14917	1.9
473.12732	1.8
488.14569	2.5
503.17059	15.5
515.17053	2.4
523.87970	1.3
533.18195	28.2
538.71149	1.3
551.19238	22.5
563.19000	1.8
581.20270	49.9
581.29468	2.6
582.20703	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	581.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23172	0.3
54.00276	0.3
55.01867	1.0
55.72870	0.3
57.03455	0.5
57.94876	0.3
59.01377	15.3
59.27467	0.3
62.73899	0.3
68.13859	0.3
69.03439	0.3
69.31764	1.6
71.01379	16.3
73.02949	2.8
78.69202	0.3
79.63651	0.3
83.01388	1.8
85.02945	5.0
87.00867	1.4
89.02441	7.9
92.88165	0.3
93.03461	1.2
95.01392	1.3
96.01709	0.3
97.02942	0.9
99.00876	0.9
101.02439	11.1
106.04240	15.2
113.02454	7.7
115.04010	0.4
115.20612	0.3
119.03507	2.6
121.02946	0.4
124.01366	0.3
125.02443	0.6
131.03502	1.6
136.05290	2.6
138.03246	0.5
139.04036	0.5
143.03513	3.9
151.04005	0.6
151.07642	4.1
159.02980	1.0
161.04550	6.8
173.04510	1.5
177.09967	0.3
179.05624	1.2
191.05652	1.5
210.06845	1.0
221.06656	3.5
245.06572	0.4
255.10268	0.5
257.11819	100.0
258.12183	2.8
314.84317	0.3
323.09796	1.6
360.05676	0.4
374.76553	0.3
389.15915	0.5
419.17090	2.0
563.21545	0.7
581.22375	11.2
582.22925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	9.0
60.78327	1.0
61.98819	1.2
64.15445	1.0
71.01370	4.4
73.31046	0.9
74.00346	1.0
76.29224	1.1
83.01409	1.7
85.02960	1.8
86.78352	1.0
89.02434	2.9
93.03458	1.8
96.96014	1.4
99.92598	1.1
101.02432	3.7
111.04502	1.2
113.02428	3.2
116.92869	7.0
119.03468	1.4
121.02959	6.9
122.03737	4.2
132.01906	0.9
133.29813	1.0
135.04517	4.4
137.02487	1.5
139.04042	1.1
143.04613	1.1
149.02434	20.1
150.03221	29.5
150.06848	1.9
151.03683	1.7
152.01132	2.8
163.04016	3.3
164.04790	19.1
165.01926	1.5
165.05563	36.7
167.03476	1.4
169.05170	1.5
171.11620	1.1
173.04509	1.1
179.07127	5.4
180.04297	2.6
191.05606	1.5
193.01408	13.7
195.06621	29.4
196.07115	1.1
200.82486	1.2
208.03760	31.5
223.06096	100.0
224.62628	1.0
229.08664	1.5
239.10725	2.5
257.08160	10.5
257.11746	1.7
265.07126	1.7
271.13388	4.6
299.09125	1.4
299.12872	17.4
311.08356	1.4
313.10339	1.6
339.08755	2.7
340.09000	2.6
341.09357	3.6
359.14828	3.5
369.09726	1.9
370.09808	1.5
371.10388	4.2
383.11264	1.8
419.13107	12.5
461.13440	3.3
521.20111	9.1
581.17670	31.4
581.31421	2.3
582.19025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
61.74778	1.2
71.01370	1.9
71.41416	1.8
73.02936	3.9
82.79052	1.4
99.86484	1.4
119.35847	1.3
125.39223	1.3
200.41072	1.6
217.07155	1.6
253.53874	1.3
333.20685	100.0
333.39932	1.3
333.43652	1.8
334.20990	27.4
347.22159	7.1
348.22607	2.8
356.62973	1.4
375.21704	26.7
376.21997	5.4
403.84094	1.2
538.27350	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.3
61.66271	1.1
61.98821	2.3
63.77963	1.1
65.35719	1.3
69.17224	6.9
70.10632	1.4
71.01376	5.7
73.02943	19.4
76.87299	1.3
82.95429	2.1
83.01381	3.3
85.02940	1.7
89.02444	1.7
93.03457	4.9
95.01394	1.6
96.96010	3.5
101.02441	12.6
104.04699	1.4
114.33270	1.2
122.03780	1.4
135.04509	2.1
143.03499	1.6
149.04562	1.5
150.03195	1.8
161.04541	3.3
165.05540	3.0
173.04561	1.8
185.12704	1.1
187.32848	1.4
191.05588	6.0
195.06526	1.6
209.91553	1.4
289.21649	4.3
329.21124	3.0
333.20700	100.0
334.20795	2.5
347.22012	2.1
375.21744	7.0
446.97015	1.6
476.00394	1.3
512.46997	1.3
547.22760	1.3
563.21448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90409	1.0
59.01362	1.1
59.79567	1.0
60.90166	1.0
61.98835	1.5
67.48638	0.9
70.46745	2.3
71.01389	6.0
73.02940	2.2
78.95899	1.8
78.98589	4.7
79.95737	9.7
79.98053	1.0
80.96515	55.6
81.03455	1.2
85.02951	2.6
87.00881	2.6
94.92522	1.3
94.98080	15.3
96.96009	18.7
97.02914	2.0
101.02427	2.0
106.98096	3.4
116.68710	0.9
122.97572	4.4
125.02441	2.0
134.97548	3.3
148.99162	5.0
152.98633	7.1
157.60327	1.0
164.98625	11.3
182.99591	1.7
206.99677	3.3
225.00766	17.1
243.01561	1.7
276.93839	1.2
281.24911	2.4
299.04361	2.5
532.19952	1.2
576.33307	1.1
581.29987	100.0
582.30255	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	581.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03439	1.6
58.00577	0.6
59.01379	29.6
61.78819	0.4
61.98831	3.7
63.33804	0.4
63.34520	0.5
69.03444	3.0
69.28036	0.9
69.28422	1.3
71.01379	34.5
72.99306	1.3
73.02942	11.0
75.00893	0.5
81.03459	0.6
83.01388	4.5
84.02200	0.5
85.02946	16.7
87.00860	2.7
89.02438	10.0
93.03458	3.7
95.01396	3.5
97.02938	1.5
99.00874	3.3
101.02442	25.0
109.02922	0.7
111.00868	1.5
111.04527	1.4
113.02445	21.4
113.06068	0.7
119.03500	3.8
123.21159	0.5
124.74207	0.5
125.02430	1.7
129.01933	0.7
129.09178	0.8
131.03496	0.9
135.04483	1.0
139.03992	1.2
139.07626	0.5
141.01958	0.6
143.03494	1.6
143.10748	1.4
147.04530	0.5
155.03516	0.8
159.02994	2.8
159.10211	0.5
161.04549	11.2
171.02118	0.4
173.04544	5.3
173.11777	1.0
175.04044	0.5
179.03539	0.4
179.05557	2.5
191.05597	8.3
191.07289	0.7
217.10825	0.7
301.14453	0.8
303.21826	4.0
305.23297	21.1
306.23358	0.7
307.69406	0.5
327.16071	0.9
329.02902	0.5
345.17053	1.5
371.15042	0.7
389.16171	1.6
432.10385	0.5
435.26141	0.5
467.28580	100.0
468.28986	4.8
479.24771	0.7
521.32837	0.7
525.96051	0.6
563.21283	1.6
581.22534	2.1
581.32397	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32508	0.3
56.47815	0.3
59.01369	0.5
61.98827	100.0
62.65247	0.3
69.41589	1.5
78.95914	0.5
96.48733	0.3
104.43564	0.4
152.99586	0.4
194.94658	0.4
279.23300	2.3
280.23706	1.4
281.23956	1.0
282.24161	0.6
385.17206	0.4
504.31210	1.2
507.31546	0.5
542.94476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52276	1.3
55.01867	2.7
57.03445	7.5
59.01378	85.0
59.89610	1.4
60.50352	1.8
61.98829	34.8
65.26575	1.4
67.01872	3.0
69.03457	4.0
71.01379	46.7
71.43583	1.6
72.99310	6.6
73.02940	13.1
81.03471	2.4
83.01384	6.0
83.05015	3.6
85.02948	26.7
87.00877	10.8
89.02445	17.8
93.03456	31.1
94.98073	4.0
95.01380	5.0
95.05028	2.2
96.96004	6.3
97.02928	2.5
97.06559	1.9
99.00864	3.8
99.92598	4.6
100.93362	11.6
101.02448	26.4
107.05006	1.8
109.02950	4.6
111.00868	4.1
111.04512	7.4
113.02450	23.1
115.04017	1.9
115.92073	18.4
116.92886	8.8
118.44798	1.5
119.03515	6.7
123.04552	2.2
123.08199	2.4
125.02472	1.9
127.03972	2.4
132.95996	2.0
135.04526	2.6
137.02438	10.5
139.04015	25.7
143.03506	3.2
146.03790	1.9
149.05971	1.7
151.00372	6.9
151.03993	3.7
152.00742	2.8
152.04771	2.1
155.03458	5.2
159.03003	3.6
160.05383	1.6
161.04610	7.9
166.02715	17.5
167.03064	7.4
168.03214	5.5
170.97733	1.6
173.04553	51.5
173.05980	2.5
174.03194	1.7
174.04855	2.2
174.06853	1.8
175.04063	3.0
175.07675	3.8
177.01868	2.8
177.05531	1.5
179.05630	3.3
181.05063	23.6
182.05424	14.7
183.05511	3.4
186.06859	3.5
187.07590	3.2
187.87117	1.5
189.05525	2.4
191.05605	69.2
191.07301	4.1
191.21877	1.6
192.06076	2.3
201.09227	2.8
201.14917	2.2
203.07162	5.2
204.07863	4.8
205.08684	3.5
210.97031	2.6
214.06276	2.2
215.07106	2.7
229.08730	5.7
232.07440	6.7
233.08322	2.5
247.09727	2.7
248.10454	3.8
257.11798	3.3
287.12885	2.5
301.14404	5.5
305.10455	3.6
305.13940	5.9
305.23413	2.2
311.12674	1.9
327.15939	3.2
329.13901	2.2
331.11603	2.9
345.16998	5.2
359.28107	9.8
360.01685	1.6
363.20129	6.3
369.03986	1.6
371.14966	3.5
387.10977	1.9
388.11230	2.5
389.11368	3.5
389.16043	13.0
404.13867	4.1
407.17142	13.9
417.15399	11.4
418.15887	17.2
419.16125	38.5
467.28561	25.9
477.30618	7.1
521.33282	100.0
522.33466	2.7
539.34198	2.6
545.20325	1.9
563.21454	23.5
563.33862	2.3
581.22705	16.9
581.35522	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01378	6.4
61.98829	43.1
62.94144	0.8
67.01888	1.3
67.76254	0.8
69.23627	4.1
71.01379	3.0
83.01381	0.9
85.02946	2.3
87.00876	1.6
93.03459	7.3
94.03822	1.0
95.05051	0.9
96.95992	0.8
101.02448	1.4
111.04492	1.5
113.02441	1.2
116.92914	0.9
137.02414	2.2
139.03020	1.4
139.04016	16.3
140.04358	1.4
140.49521	0.7
155.03453	1.5
173.04550	14.3
174.04881	3.8
175.00409	1.4
175.03889	0.9
187.07677	2.0
191.05605	14.7
192.05945	2.8
197.06070	3.0
205.08710	1.7
206.08984	1.4
224.04721	0.9
230.09264	1.8
232.07404	1.6
233.08218	6.2
234.08446	3.3
240.04231	6.8
241.05025	3.2
247.09718	2.6
248.10202	1.9
251.09209	2.7
252.09506	2.0
255.06615	24.6
256.07349	5.5
271.09747	100.0
272.10080	2.3
293.09894	1.2
345.20386	0.9
357.72861	0.8
390.16653	1.2
399.28952	1.0
423.12854	1.2
475.16074	5.7
485.15897	1.6
519.31927	0.8
551.54669	1.2
563.20624	0.9
564.21545	7.9
581.29242	1.2
582.22900	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	582.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.4
59.49982	0.3
61.98824	100.0
69.13619	2.1
71.01388	0.5
74.69331	0.3
116.92928	0.4
125.02420	0.6
146.06033	0.4
191.05630	0.5
295.04233	0.3
318.27231	0.3
333.65344	0.4
405.21317	0.4
519.24548	0.6
582.26678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03191	1.0
62.06688	0.9
62.97107	0.9
63.89672	0.9
70.75883	1.4
72.04532	9.5
79.29574	0.9
82.02978	37.9
85.02940	1.6
93.03454	1.1
98.02468	16.8
100.04047	16.1
101.32171	0.9
107.91121	1.0
115.04005	1.5
121.06618	1.3
128.10817	1.3
150.04242	1.0
154.08731	1.0
159.03011	1.6
182.08192	8.2
184.09778	3.1
190.58748	1.2
191.05591	26.5
215.06831	0.9
228.08754	100.0
229.09090	1.3
233.60741	1.1
264.66852	1.0
289.02280	1.1
353.08765	4.4
453.97375	1.2
522.12610	1.1
525.87573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	4.7
67.32476	3.7
69.08446	9.5
69.08856	17.2
77.26584	3.5
130.33206	3.8
134.03754	19.4
147.56372	3.6
162.83945	4.7
209.06023	8.7
238.06348	15.4
239.07053	4.4
253.08661	33.9
285.11337	87.2
319.03497	3.8
354.08820	4.2
355.09619	46.4
355.31854	4.1
356.10461	23.0
491.14999	16.4
507.18036	70.1
539.20776	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	582.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01381	4.6
61.98828	100.0
69.03454	0.6
69.70020	0.7
69.70351	0.3
71.01380	2.9
73.02933	0.4
85.02985	0.6
87.00883	0.3
89.02442	4.7
101.02437	1.5
113.02437	3.1
119.03528	1.8
143.03522	0.4
149.02460	0.3
149.09721	2.8
150.03258	0.3
151.04080	0.5
153.09251	0.8
161.04549	1.5
165.05557	0.7
167.10757	4.8
179.05586	2.4
199.80925	0.3
223.06174	0.6
224.06474	0.5
225.15001	0.9
243.16118	0.4
281.73135	0.3
287.05627	0.4
297.97083	0.3
399.32349	0.3
405.21280	14.8
406.21677	0.6
419.13605	0.4
420.13736	0.7
519.24487	3.6
582.19470	0.5
583.26123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09531	3.6
68.68313	4.1
69.14426	24.0
69.46578	4.0
78.95930	9.5
80.21304	3.8
96.96036	9.9
98.21893	9.3
136.05281	8.0
137.06071	12.0
139.33829	4.5
149.06033	4.2
165.05574	17.5
175.55280	4.5
210.74753	4.4
222.01566	4.7
225.09200	7.5
238.09998	14.1
253.08733	11.8
253.12389	15.5
254.09474	23.0
255.10405	11.7
269.11816	4.9
279.23145	5.1
285.11346	18.1
286.12161	11.7
539.24365	100.0
540.24725	7.2
582.30383	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	582.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11945	0.1
55.45454	0.1
59.01371	2.0
61.80901	0.1
61.98825	100.0
71.01383	0.9
72.99316	0.3
73.02956	0.3
78.06149	0.1
81.03468	0.1
85.02961	0.4
87.00889	0.4
89.02450	0.5
90.51264	0.1
93.03445	1.1
94.03809	0.3
96.96039	0.4
100.37861	0.1
101.02440	0.5
102.02810	0.1
106.04237	0.4
107.04598	0.1
109.02939	0.1
111.04572	0.1
113.02462	0.5
115.04009	0.1
115.92095	0.2
116.43269	0.1
116.92844	0.4
119.03452	0.1
129.02003	0.1
131.03462	0.2
139.04015	1.7
140.04373	0.2
151.07600	0.1
158.26782	0.1
161.04538	0.2
173.04565	1.2
173.05911	0.2
174.04921	0.3
175.07613	0.2
179.03506	0.1
191.05600	1.7
192.05959	0.7
203.07161	0.3
204.07521	0.1
205.12430	0.2
232.07320	0.2
233.08101	0.2
247.09541	0.2
248.10361	0.1
257.11838	1.5
258.12122	1.8
390.16379	0.5
394.96152	0.1
407.17163	0.2
408.17542	0.4
539.53979	0.1
564.21704	1.4
582.22559	0.9
582.29999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08973	0.1
54.78988	0.1
59.01382	1.7
61.98827	100.0
62.29601	0.1
69.27942	0.3
69.28355	0.4
71.01381	0.7
72.99314	0.3
73.02942	0.2
85.02957	0.5
87.00896	0.4
89.02440	0.4
93.03450	1.0
94.03793	0.3
95.05029	0.2
96.96011	0.5
98.21923	0.2
99.92595	0.2
101.02447	0.5
106.04248	0.3
111.04520	0.3
113.02464	0.2
115.92063	0.3
116.92886	0.6
119.03497	0.2
135.04544	0.1
137.02472	0.2
139.04010	1.1
140.04347	0.2
151.03990	0.1
161.04536	0.2
173.04520	1.4
173.05833	0.2
174.04930	0.4
187.11340	0.2
188.08136	0.2
191.05606	2.2
192.05928	0.7
201.09235	0.2
203.07126	0.3
204.07671	0.3
205.08600	0.2
232.07381	0.2
233.07999	0.2
244.02504	0.1
247.09673	0.2
248.10309	0.1
257.11801	1.1
258.12137	1.2
264.21469	0.1
389.16245	0.2
390.16632	0.4
408.17654	0.3
531.76068	0.1
564.21637	1.6
582.22192	1.1
582.30341	0.1
583.14380	0.2
585.85944	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	582.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28160	19.9
58.08375	19.9
69.12676	100.0
69.13085	37.9
69.61086	17.7
110.54604	19.5
126.30253	19.3
209.11783	25.2
210.78996	22.6
255.23276	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91706	0.3
59.01366	1.7
61.98816	1.5
71.01377	1.4
85.02936	0.7
89.02441	0.5
93.03455	4.3
95.01419	0.6
96.96018	2.3
98.03094	0.4
98.22682	1.0
101.02418	0.5
101.81584	0.4
106.04265	0.8
108.02197	0.4
109.02946	2.2
110.03748	0.7
111.00887	0.6
113.02421	0.8
119.03440	0.5
119.05022	1.0
121.02953	59.8
122.03300	0.7
123.00885	1.6
123.04526	0.9
124.01669	1.1
125.02436	1.7
135.04500	0.9
137.02443	15.0
138.03232	9.6
151.04008	1.5
152.01186	0.7
153.05548	1.6
159.32669	0.4
161.02458	0.4
163.04092	0.4
165.05576	0.6
173.04463	0.4
179.03456	0.7
183.08028	0.4
189.09242	1.4
191.05525	0.5
209.06126	0.6
225.05568	0.7
227.07124	63.6
228.07471	1.4
233.08203	0.9
243.06598	6.7
244.07378	17.7
258.08929	5.7
259.09726	100.0
260.10107	2.3
289.27499	0.5
419.09827	0.5
421.15030	68.9
422.15225	1.9
583.13977	0.8
583.21033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42298	1.0
59.01362	2.9
61.09822	1.0
61.98830	5.6
83.17759	0.9
93.03450	4.2
101.02447	1.5
121.02937	4.2
122.03726	14.6
133.02951	2.1
135.04463	1.0
149.02443	26.1
150.03215	100.0
151.03987	1.3
164.04765	6.6
165.05560	94.0
177.05493	2.9
180.04297	7.7
190.06403	1.2
191.05617	2.2
195.06612	60.8
267.45276	1.2
268.07364	1.8
275.11850	1.0
280.07449	1.4
283.09723	1.4
295.09546	1.0
297.11261	2.0
304.03104	1.0
307.09586	1.0
308.10422	1.3
312.06433	1.7
323.09140	3.0
324.06424	2.1
324.10016	2.7
325.10898	1.7
326.11511	3.6
327.08655	7.0
339.08759	9.9
339.12405	2.3
341.13968	1.6
342.11108	5.6
354.11005	2.8
357.13440	23.3
369.13367	23.0
461.16245	1.7
474.72488	1.2
487.17340	2.2
505.18945	5.1
517.18463	1.4
535.19775	42.0
539.28638	3.4
583.22101	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	583.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56232	0.9
59.01376	10.1
59.74705	0.8
60.67689	0.7
61.98827	11.9
67.47637	0.7
71.01388	2.8
75.72608	0.8
82.95398	1.1
85.02914	1.4
89.02455	0.9
93.03457	7.7
95.05013	2.7
96.96040	1.5
99.92564	1.2
101.02425	1.5
106.09446	0.9
109.02983	1.5
113.02452	1.7
116.92873	3.8
121.02956	11.8
122.03751	21.6
123.00907	1.0
123.04614	1.5
123.14688	0.9
124.01704	1.3
133.02982	2.4
134.03743	2.6
135.04512	8.1
136.01674	11.6
137.02422	2.0
139.04015	31.9
146.03827	1.0
147.04524	1.8
149.02438	27.2
149.03598	1.9
149.06120	1.0
150.03223	94.5
151.00394	3.1
151.04018	15.1
152.01111	1.3
161.06059	1.3
163.04053	2.5
164.04762	5.8
165.05565	100.0
166.02707	8.1
166.05913	1.1
167.03455	2.7
173.04524	3.3
175.03922	4.0
180.04298	7.1
181.05052	10.8
187.11261	1.0
189.05577	4.0
190.06340	5.3
191.05560	4.5
192.04279	0.9
192.05989	1.5
195.06618	60.8
196.06946	0.9
205.08640	1.7
206.05984	0.9
221.08165	1.2
291.70535	0.9
297.07632	1.7
307.15524	1.2
309.07419	1.1
314.07965	1.5
315.08499	1.3
329.10312	4.3
331.19046	1.0
342.11026	1.1
356.12561	2.9
357.09518	2.9
357.13440	10.3
369.13266	1.1
372.11819	3.1
373.12970	2.0
386.14020	1.2
387.14465	32.6
388.14713	1.5
429.71799	0.9
444.24057	0.9
505.18573	5.3
517.18781	1.6
535.19714	55.8
536.19934	3.3
565.21997	2.3
583.21082	4.5
583.29962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63930	0.4
59.01369	0.8
61.98829	3.7
68.10296	0.3
71.01385	0.3
71.06636	0.5
76.27342	0.3
87.55917	0.3
93.03463	3.5
95.86395	0.3
107.77421	0.3
108.02243	0.7
111.41396	0.3
121.02953	4.9
122.03737	14.3
123.00896	0.5
123.04519	0.8
124.01637	0.4
130.34749	0.4
133.02951	1.3
134.03806	0.6
135.04532	1.0
136.01665	6.2
137.02454	1.2
139.03969	0.5
139.85789	0.4
149.02448	15.6
150.03224	90.3
151.00342	1.7
151.04016	6.7
164.04773	3.1
165.05565	100.0
166.02724	4.2
166.05885	0.8
167.03432	0.6
175.04007	1.0
180.04292	6.4
181.05042	5.4
189.05548	1.0
190.06293	0.9
191.03471	0.5
195.06618	72.9
196.06911	0.7
198.31491	0.4
203.42041	0.3
205.05118	0.4
221.08162	0.7
276.53549	0.4
282.05356	0.5
282.12759	0.5
297.14868	1.3
300.76654	0.3
309.07690	0.4
329.10367	0.7
342.11340	1.6
357.09567	1.2
357.13483	8.7
369.13556	0.4
369.45383	0.4
372.12045	0.7
373.12885	0.7
387.09677	0.7
387.14493	13.1
388.15222	0.7
505.18506	0.7
535.19550	2.9
583.21570	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	583.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.8
69.03442	1.1
69.24219	3.5
69.59218	0.7
76.56306	0.7
93.03449	9.7
96.96024	5.2
99.53328	0.7
107.05033	1.4
108.02184	2.7
109.02965	2.0
121.02957	28.7
122.03737	30.7
123.04533	18.2
129.19278	0.8
134.03769	1.2
135.04524	6.8
136.01659	24.0
137.02443	12.8
145.03035	0.9
146.03720	1.4
147.04517	2.1
150.03232	15.3
150.04364	1.6
151.04005	59.6
152.04411	0.9
157.06522	1.3
158.03720	1.3
159.04553	1.4
161.02461	1.4
161.06081	1.0
162.03198	2.0
163.03992	3.3
164.04785	2.6
171.08287	0.7
173.06082	3.4
175.03981	2.8
176.04761	2.2
177.05559	2.5
179.03546	1.0
179.07173	3.7
185.06071	0.8
191.12836	1.0
197.09750	2.1
209.06053	2.2
211.03954	0.9
211.07655	1.4
213.09201	27.0
222.06708	0.9
224.04819	0.9
225.05576	0.8
225.09184	3.2
225.89049	0.8
226.06276	1.0
226.09920	1.9
227.07193	2.8
237.05547	2.4
239.03505	3.1
241.08687	74.1
242.09431	21.9
252.07890	4.0
253.05064	1.5
253.08865	1.1
265.05020	1.7
265.08929	0.8
311.12955	1.3
317.11700	4.7
327.10202	1.8
329.14035	1.4
330.08905	1.5
341.10361	1.2
342.11279	1.0
343.09601	1.0
343.13373	1.3
345.11243	7.1
349.11191	0.8
356.10516	1.4
362.11362	0.9
367.13522	1.7
369.11356	2.1
370.12094	1.6
371.12939	13.4
385.14771	1.1
399.15729	1.8
415.11902	1.6
426.49329	0.9
439.77905	0.9
445.16919	1.3
447.14523	1.4
478.16705	0.9
491.18994	0.9
493.42545	0.8
506.17459	1.4
521.19672	2.9
533.77350	0.9
536.18457	6.1
541.22601	1.1
551.20782	40.6
552.21185	2.5
568.21143	3.0
583.23383	100.0
584.23804	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	583.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38847	1.1
55.40688	1.1
59.51806	1.0
61.55814	1.1
69.36380	5.0
73.94824	1.1
75.29569	1.1
98.53591	1.4
109.06586	3.2
119.05003	1.7
120.05824	1.8
121.02959	7.5
123.04543	2.0
133.67305	1.0
135.04512	7.2
135.08115	6.6
136.05263	6.3
137.06096	3.5
151.04047	2.7
152.04816	1.6
152.57593	1.2
161.06081	3.4
163.04050	1.7
164.04778	5.0
165.05600	4.1
167.03429	1.3
177.05598	1.3
179.07137	61.0
194.07367	1.3
205.47037	1.2
209.06075	100.0
210.06630	3.1
222.06801	2.7
237.05569	54.1
238.06355	13.0
239.07089	1.8
250.06255	1.5
252.07907	83.5
253.08667	24.7
265.08716	12.8
287.12790	3.0
299.12872	3.3
312.13855	2.0
315.12381	23.6
317.13928	5.9
329.13849	13.5
330.14783	2.1
331.09720	2.7
357.11191	2.7
373.10736	1.2
385.10797	1.3
387.11942	1.5
544.49323	1.2
545.21844	2.3
547.21436	1.4
551.20575	2.3
568.20404	1.7
583.23492	28.9
584.23608	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	583.2334
Annotation	Iryantherin C
Peak:m/z	Relative Intensity
52.01826	0.7
52.92036	0.8
64.18090	0.6
65.69134	0.6
67.92892	0.6
69.13503	0.6
71.10967	1.2
95.13225	0.6
96.96006	0.9
107.40579	0.7
108.02203	0.9
109.02905	1.4
121.02928	1.8
123.04505	1.0
135.04460	1.4
136.01660	18.1
137.02434	3.5
151.04005	13.1
159.04451	0.7
162.03210	2.8
163.03951	1.0
176.04782	1.0
177.05579	3.0
181.94452	0.6
189.05554	0.7
211.07620	1.3
212.08429	0.9
213.09236	1.2
225.09172	1.1
242.05919	0.8
255.06596	1.8
256.07532	1.1
269.08017	1.0
270.05276	1.9
271.06021	1.9
306.89722	0.7
344.10620	0.9
345.11502	1.2
359.12872	1.6
361.10748	1.2
377.13876	2.8
389.14072	0.7
409.16351	1.3
415.15720	0.8
449.16257	1.1
476.14951	3.3
477.15604	1.1
493.16537	1.2
507.17993	1.0
509.59039	0.7
511.61383	0.7
523.21210	2.7
527.20660	1.2
551.20795	2.0
565.22278	1.3
567.20441	2.5
568.21045	2.7
583.23358	100.0
584.23676	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	583.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97727	0.7
51.38441	0.6
56.99861	0.6
61.98818	1.0
62.96360	0.8
66.19810	0.6
70.43370	1.0
71.01358	0.8
76.72650	0.6
78.95905	19.1
80.96526	1.3
82.96081	1.2
92.11298	0.6
96.96011	10.0
96.96984	1.2
98.95550	0.8
99.92594	1.5
100.93380	2.4
106.42068	0.6
115.92094	5.1
116.92866	4.6
121.02969	2.5
126.90912	0.6
135.04544	2.4
136.05298	11.1
137.06082	12.7
138.06502	0.9
149.06102	3.4
150.06871	0.7
150.97954	0.7
151.04060	0.8
152.99586	6.2
154.22147	0.5
163.03957	2.4
164.04773	9.0
164.90482	1.0
164.98624	0.7
165.05566	21.3
168.04315	0.8
171.00685	1.3
172.95502	1.4
173.78456	0.9
178.88446	1.8
179.89207	4.7
180.90013	4.1
181.90820	1.1
196.89473	6.9
205.90779	1.1
206.91666	0.8
208.08812	0.7
223.07639	1.0
223.11314	1.0
224.08441	0.8
224.12073	1.3
225.09230	1.1
226.09962	0.9
230.69423	0.7
235.91808	1.2
236.92587	4.3
237.09224	0.8
238.09972	1.1
239.10754	15.7
240.11153	1.2
241.08614	3.6
251.10832	2.2
252.11531	19.4
253.08519	1.0
253.12234	2.2
255.06668	1.0
255.23361	2.5
260.94315	0.8
266.09421	1.2
267.10284	14.0
267.13885	9.2
268.11023	21.7
269.08185	1.4
270.08969	1.9
271.09689	1.4
278.93539	1.1
279.23291	3.2
282.12662	3.3
283.13397	1.9
285.07938	0.9
285.11298	8.4
286.08560	1.5
286.12088	1.6
287.12897	8.0
297.15033	2.7
300.10031	1.6
301.10867	1.5
302.11621	0.6
315.12387	19.9
316.13104	9.9
351.15933	1.1
388.16721	1.1
389.17337	1.6
417.17035	1.8
431.18704	1.4
432.18951	1.2
447.25455	1.5
464.78543	0.7
475.15115	1.5
492.16000	1.7
514.14032	0.8
535.17670	1.2
547.16376	0.8
568.24451	3.2
583.19495	12.3
583.27173	100.0
584.20215	1.1
584.27448	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	583.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00933	0.6
59.01376	5.9
61.98826	1.3
62.61631	0.6
69.16828	3.7
71.01381	2.0
73.02554	0.8
73.02944	9.1
74.30850	0.6
83.01363	2.0
96.96013	1.9
100.93314	0.7
101.02433	5.6
102.71791	0.6
108.02193	1.0
116.92850	2.4
123.04529	1.3
131.03545	1.0
137.00185	0.7
150.34778	0.6
152.01169	1.4
164.89543	0.7
167.03508	2.5
194.05563	0.6
239.05577	1.2
307.54074	0.7
335.22260	100.0
336.22482	3.0
349.23846	5.1
377.23288	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	583.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20952	0.1
55.01868	0.5
57.03445	0.4
59.01111	0.3
59.01378	2.9
61.98831	1.1
67.05515	0.8
68.99812	0.7
69.03445	0.5
71.01369	1.4
71.23414	0.2
73.02929	0.6
80.02660	0.3
81.03455	1.3
81.93309	0.2
82.95410	0.2
83.01408	0.2
85.02951	0.8
87.00880	0.3
89.02443	0.4
93.03458	1.2
95.05026	7.7
96.96017	2.1
99.00867	0.2
100.93363	0.2
101.02412	0.8
109.02940	0.2
111.04501	0.4
113.02460	0.4
113.06086	0.3
114.93362	0.3
116.92870	0.6
124.01649	0.5
139.04010	100.0
140.04312	1.4
143.03499	0.2
149.69940	0.2
161.04541	0.3
173.04535	0.7
177.09189	0.5
191.05585	0.6
192.06015	0.2
209.11781	0.2
221.08170	0.9
257.11874	0.4
258.12198	0.2
307.11920	0.6
326.94760	0.2
469.17221	0.2
539.29034	0.2
565.22076	0.4
583.27362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43402	0.2
55.01871	0.5
57.03443	0.4
59.01378	1.7
61.98826	1.7
67.01871	0.2
67.05524	0.7
68.99812	0.7
69.03434	0.5
70.62753	0.3
70.63092	0.2
71.01380	1.3
73.02934	0.5
78.03033	0.2
78.91903	0.2
81.03454	0.8
81.04128	0.2
83.01358	0.2
85.02934	0.3
87.00867	0.4
89.02415	0.3
93.03450	0.9
95.05022	8.4
96.05320	0.3
96.96012	0.3
99.92502	0.2
101.02441	0.6
102.96629	0.2
109.02934	0.2
113.02437	0.5
113.06125	0.2
116.92847	1.2
124.01624	0.3
127.87887	0.2
138.03120	0.2
139.04005	100.0
140.04283	1.1
161.04559	0.2
173.04495	0.6
184.57906	0.2
191.05661	0.5
209.11723	0.2
221.08008	0.3
237.69147	0.2
256.07050	0.6
271.09756	1.5
272.10086	2.0
311.88153	0.2
476.16742	0.3
504.36472	0.2
583.27759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25049	0.4
59.01375	0.8
61.88168	0.4
61.98827	100.0
62.51252	0.3
63.75734	0.4
73.05643	0.4
78.91902	1.0
78.95894	0.9
87.41225	0.4
91.07034	0.3
101.30544	0.4
118.00476	0.3
152.99571	0.5
207.69131	0.3
246.87398	0.4
281.24918	1.8
282.25323	0.5
339.60361	0.4
422.76459	0.4
506.32455	1.4
576.59204	0.5
583.33386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.09258	0.4
78.91887	0.7
78.95927	0.5
96.96003	0.7
101.67159	0.4
122.35165	0.3
132.32343	0.4
157.50011	0.3
157.69292	0.3
188.68135	0.4
231.00156	0.4
281.24902	2.8
282.25333	0.9
283.25729	0.7
285.51004	0.5
295.22595	0.4
506.32715	1.1
509.33871	0.8
546.81616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.7
61.48491	1.9
61.98819	2.0
69.48679	6.5
76.56548	2.0
80.05035	2.2
90.27166	1.8
96.04555	2.0
104.85548	1.9
110.06120	6.8
113.00687	2.0
113.02390	2.1
122.06131	12.3
128.01756	38.2
156.04895	35.3
166.68610	1.9
174.69957	2.1
200.03975	10.4
244.02831	100.0
291.77130	1.9
301.68951	2.1
397.36551	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	584.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
61.98828	100.0
68.99918	0.3
69.14749	1.9
71.01396	0.7
82.95435	0.4
85.02940	0.4
93.03462	1.3
97.56907	0.3
98.21870	0.7
101.02433	0.7
108.02139	0.5
109.52007	0.3
113.02449	0.3
120.02139	0.3
121.02957	19.2
122.03795	2.5
135.04538	0.4
136.05296	0.9
139.04022	1.3
147.69237	0.3
151.04027	0.9
151.07631	1.5
168.38588	0.3
191.05635	0.7
220.78146	0.4
230.19180	0.3
258.08835	1.6
271.09677	0.5
272.10568	1.1
273.11310	75.2
274.11703	2.3
299.12610	0.3
417.15421	0.7
477.17102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
61.98826	85.8
71.01398	1.7
71.01745	0.3
73.02955	0.5
79.55007	0.3
82.95445	0.4
85.02958	0.9
89.02442	0.7
93.03477	0.9
93.96290	0.4
101.02439	1.5
106.04235	1.2
107.05025	100.0
108.05390	1.3
113.02473	0.9
116.92837	1.1
119.03474	0.5
135.04512	0.7
139.04027	3.2
173.04593	1.0
183.11562	0.4
187.11214	0.5
191.05586	2.5
205.01529	0.4
212.75836	0.4
224.71558	0.4
225.05573	0.6
243.72488	0.4
255.10239	6.8
257.11905	0.9
258.12207	1.4
259.12390	0.6
273.11304	72.7
274.11627	2.3
363.28455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01378	63.4
61.98830	100.0
69.48798	4.1
71.01376	18.0
73.02945	38.4
75.00848	1.2
81.03421	1.4
83.01381	9.6
85.02951	4.7
87.00873	2.1
87.04248	1.0
89.02440	7.7
93.03459	3.4
95.05038	2.0
96.96024	8.3
97.02972	1.2
99.92599	1.8
100.93336	1.7
101.02448	29.1
107.05043	7.3
111.04527	1.4
113.02450	7.8
115.92068	3.0
116.92860	11.1
119.03515	2.6
125.02432	1.4
131.03433	2.4
135.04488	2.1
136.04013	2.5
137.02452	1.4
139.04013	27.2
140.04361	6.6
143.03467	1.8
148.55791	1.1
149.04483	1.9
154.57811	1.0
155.03511	1.3
161.04529	8.0
169.79291	1.1
173.04581	4.4
179.03581	1.2
186.99187	1.4
187.11256	2.2
191.05605	12.5
200.58937	1.0
221.06638	1.9
225.05530	2.2
239.07123	1.6
255.10272	17.3
273.11371	6.3
319.79877	1.2
363.20303	4.5
364.20599	4.6
435.16342	2.0
477.17685	13.8
583.28082	1.3
584.14813	1.7
584.30377	15.1
585.16473	3.7
585.29602	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	584.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47991	0.2
58.00315	0.2
59.01378	0.4
61.98825	100.0
69.18984	0.6
69.19366	0.5
71.01392	0.3
82.95412	0.9
105.55215	0.2
116.92861	0.6
120.19027	0.3
123.04465	0.2
125.02431	1.3
191.05568	0.2
200.98022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
61.98830	100.0
69.03459	0.3
71.01382	0.6
73.02954	0.4
82.48017	0.3
89.02431	0.5
121.02933	0.4
122.03732	0.5
136.01694	0.8
147.22276	0.3
149.02448	1.0
150.03249	4.0
151.03598	1.5
165.05579	3.3
166.05971	1.5
179.00150	0.3
181.05060	0.5
195.06636	2.2
196.07056	0.7
258.70496	0.4
295.68201	0.3
357.13251	0.6
387.14438	0.8
388.15018	0.9
521.20178	0.7
536.20184	3.0
578.50391	0.3
579.76471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98830	100.0
63.99263	0.2
69.20807	0.8
71.01388	0.8
73.02955	0.2
82.95412	0.3
83.01430	0.2
85.02949	0.4
87.00872	0.2
89.02468	0.4
89.52766	0.1
93.03464	0.7
95.04999	0.2
96.96043	0.2
97.06573	0.1
101.02486	0.5
113.02483	0.4
116.92889	0.4
121.02979	0.6
135.04578	0.2
136.05356	0.2
139.04039	0.6
140.04399	0.2
151.04047	0.4
151.07664	0.7
153.09259	0.2
161.04636	0.2
173.04584	0.4
179.05606	0.2
191.05626	0.8
205.12273	0.2
255.10312	0.9
273.11258	1.7
273.13724	0.1
274.62299	0.1
446.14276	0.2
524.35919	0.1
584.29462	0.7
585.29846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39463	1.3
52.20126	1.4
59.01381	10.0
61.78645	1.5
61.98812	5.5
69.03458	1.7
71.01371	2.7
75.41778	1.5
89.87280	1.4
93.03476	2.5
98.21793	3.6
109.02916	3.1
109.11064	1.4
113.07739	1.5
116.92839	4.2
119.44959	1.5
133.03041	1.5
135.04501	2.6
139.04018	10.5
146.03741	8.6
158.03726	2.6
159.04486	9.3
160.05276	2.1
161.06021	2.0
172.05286	13.5
173.04582	3.4
173.06038	21.3
174.03249	1.8
174.06866	3.5
175.03987	3.4
175.07614	12.4
176.04796	15.8
185.06049	6.7
186.06793	5.1
187.03990	8.3
187.07648	25.8
188.04797	7.5
188.08253	2.2
189.05498	2.2
191.05513	3.5
196.05331	2.5
197.06032	4.5
199.07607	8.3
200.04803	9.0
200.08397	4.9
201.05553	10.5
201.09222	13.3
202.06328	12.3
203.07037	3.1
204.07773	3.2
205.08669	21.7
211.03964	2.0
213.05562	4.2
213.09135	4.6
214.06322	8.8
214.09727	1.6
215.07104	35.1
215.10492	1.9
216.07910	17.9
217.08685	71.0
225.05612	2.5
225.09198	5.5
226.06314	20.0
227.06917	2.6
227.10612	1.9
228.07890	4.2
229.08669	26.8
231.10306	11.9
241.08636	8.4
242.09552	2.1
243.10207	25.9
244.10994	2.7
255.10274	40.5
273.07535	2.0
285.11279	6.9
344.10422	2.1
345.11209	3.7
373.14423	2.5
381.05099	2.3
417.17001	10.2
443.18634	15.4
461.19690	100.0
462.19980	6.3
505.18475	5.8
549.17096	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	585.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
61.98834	0.9
71.01389	1.2
72.99281	0.3
73.02946	0.4
78.44076	0.3
84.93877	1.0
85.02952	0.3
89.02459	0.4
93.03476	0.4
95.05022	0.5
96.05410	0.3
96.96011	2.1
98.95579	1.4
98.96475	0.3
99.00883	0.6
99.02523	0.2
99.92583	12.3
100.92673	0.5
100.93357	13.2
101.02435	0.6
101.93407	0.4
103.00359	0.7
113.02462	0.3
114.93415	0.3
114.94911	0.5
115.92076	16.0
116.92857	100.0
117.92889	1.6
117.93600	0.4
118.14767	0.3
126.94937	0.6
128.92804	0.3
133.02982	0.4
135.04523	0.7
136.04286	0.3
139.04008	7.7
140.04362	2.8
140.92860	0.7
141.04512	0.9
141.93636	0.6
142.94373	1.4
156.92325	0.7
158.93857	1.3
166.94490	0.3
167.95238	0.3
170.93913	0.4
173.04500	0.9
173.92653	0.4
174.93280	0.3
184.91797	2.1
191.05623	1.1
196.95477	0.6
212.95012	0.3
242.96048	0.6
244.97502	0.4
258.12006	0.3
259.96277	0.7
284.97192	0.3
345.96439	0.4
362.96643	0.5
445.13028	0.7
463.14337	2.6
465.15717	0.5
481.15347	0.8
499.16391	2.9
505.15479	2.0
523.16626	1.0
541.17487	6.3
542.17804	0.3
585.16431	22.4
585.23486	0.8
586.16553	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	585.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01079	0.6
59.01379	11.5
61.98830	2.9
62.86123	0.5
67.01894	0.4
69.03442	1.3
69.62440	0.9
69.62765	0.6
71.01381	6.2
73.02925	1.9
77.67577	0.4
82.95406	0.8
83.01354	0.7
85.02934	2.7
87.00881	0.9
89.02444	2.5
93.03469	3.1
95.01358	0.7
96.95977	0.6
99.00869	0.7
99.92585	1.5
100.93354	1.6
101.02422	3.8
108.02198	1.0
109.02943	0.6
113.02457	6.8
115.92076	1.3
116.92856	8.8
119.03436	0.7
121.02956	40.1
122.03785	4.5
133.02995	0.5
134.03731	0.8
135.04532	0.9
136.05283	1.4
137.02487	0.5
139.03998	2.5
140.04359	0.5
150.03282	0.9
151.03920	0.5
151.07635	2.2
159.02963	0.8
161.04559	5.2
173.04529	1.2
187.11098	0.6
191.05638	3.7
205.12361	0.8
208.78328	0.5
217.08904	0.5
258.08896	2.9
272.10535	13.2
273.11307	100.0
274.11652	3.1
285.11160	0.6
293.12381	1.6
305.10391	0.6
315.12323	1.6
409.15131	0.8
410.15564	0.9
435.16595	18.7
435.22491	1.1
436.17075	1.0
438.96375	0.5
541.16779	0.6
561.72913	0.5
584.30597	0.8
585.16461	2.4
585.30627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47989	1.6
52.09378	1.5
59.01373	4.0
59.77799	1.5
61.98827	100.0
69.06818	12.4
82.95413	3.8
84.95127	24.7
85.00418	9.1
89.02454	2.5
97.25853	1.6
116.92855	6.5
134.03743	2.6
191.14508	2.0
193.04977	1.9
205.08595	2.8
225.09213	21.4
387.14456	4.8
434.11874	1.8
585.17401	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	585.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65141	1.0
52.78192	0.8
59.01384	5.6
61.98500	1.4
61.98827	25.5
64.46666	0.9
69.03447	1.5
71.01369	4.8
73.02934	3.4
74.11342	0.9
78.95856	1.0
81.03426	1.6
83.05013	1.8
85.02930	2.5
88.98790	1.0
93.03445	2.4
97.02904	1.1
108.02171	35.2
109.02952	27.4
113.02421	1.6
123.04557	1.0
123.08089	1.1
125.02451	1.9
135.04509	1.0
137.02405	2.2
141.09174	3.9
145.05098	1.2
151.04008	1.1
152.01151	45.6
153.01945	20.3
159.03021	1.1
161.61276	0.9
167.03517	1.7
179.07137	1.6
189.05487	1.1
191.05598	3.1
207.13907	2.4
211.38345	0.9
225.14963	1.7
251.12837	1.4
269.13852	5.3
270.08936	1.8
285.11261	2.0
287.14981	3.9
289.49277	0.9
293.13943	2.5
352.73941	0.9
482.33865	1.0
541.22931	2.8
585.21820	100.0
586.21930	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	585.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67298	1.1
61.98831	2.7
70.93685	1.0
98.53117	1.1
103.21752	1.1
110.28600	1.1
110.87861	1.1
119.05046	1.3
121.02979	3.4
122.03743	1.2
123.04542	1.6
135.04549	11.8
136.05304	22.9
137.02446	4.6
145.73915	1.2
151.03967	2.6
151.07640	1.3
163.04037	18.8
164.04796	19.7
164.82187	1.2
165.05576	2.1
166.02676	1.2
167.03590	1.8
179.46606	1.1
195.95689	1.0
205.53683	1.2
210.10469	5.5
211.07658	2.9
213.03108	1.0
225.09209	4.2
237.09122	1.6
238.10020	6.2
239.07156	3.6
240.07837	1.4
253.08629	4.4
253.12344	9.6
254.09489	82.4
255.09842	2.4
267.06900	1.3
267.10306	2.0
268.10971	1.8
269.11823	43.8
283.13373	1.7
285.11279	2.0
287.09625	1.7
287.12830	12.7
299.09488	1.5
300.10028	2.2
301.10739	3.1
315.12384	100.0
316.12775	2.5
317.10358	3.5
371.09253	1.7
385.10822	2.3
386.11664	5.9
401.14041	12.0
542.22797	1.4
552.21655	13.7
553.22156	1.5
567.23840	46.4
568.24109	3.9
570.22180	1.9
585.25153	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36966	1.8
59.01329	1.9
61.98812	7.4
69.06616	8.2
69.07026	3.6
75.75671	1.7
83.68535	1.7
98.21946	4.0
137.97888	1.7
163.11302	2.0
171.10265	5.5
191.05348	1.6
209.11819	100.0
210.12143	1.8
227.12927	10.6
281.79904	1.9
361.37500	1.8
440.72760	1.9
565.89923	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	586.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80302	1.4
58.60735	1.5
59.01379	100.0
61.98816	1.7
69.28535	3.1
69.28921	3.3
78.95868	1.3
80.62207	1.4
103.00406	3.3
103.01499	77.6
109.79383	1.3
151.83437	1.8
410.96753	1.4
554.68665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
60.85799	0.6
64.69201	0.5
69.03455	0.9
71.01357	1.7
71.42334	0.7
76.69968	0.6
80.19855	0.6
83.01395	0.6
84.71020	0.6
85.02926	0.8
89.02434	0.7
93.03473	0.8
96.96015	5.0
99.04504	0.7
101.02459	0.8
107.04984	0.6
109.02947	13.7
111.00863	2.2
113.02479	1.5
119.05031	1.0
121.02970	0.8
135.04517	16.0
137.06049	0.8
139.03976	1.4
140.87291	0.6
141.01697	2.2
143.05005	3.0
146.03677	1.0
147.04486	2.3
148.05319	1.1
149.06079	15.5
151.04021	0.7
156.21466	0.6
158.03793	0.7
159.04483	3.5
160.05293	1.9
161.02437	0.9
161.06073	12.6
162.03198	0.9
163.03954	3.1
163.07658	1.0
164.04770	0.9
165.05544	3.2
171.04507	4.7
171.94539	0.6
172.05235	0.7
173.05984	1.5
174.03215	3.5
175.04027	1.5
177.05571	47.1
178.05904	1.0
179.03453	1.5
187.04012	1.4
188.04756	3.2
189.05563	100.0
190.05936	2.3
191.03506	1.1
191.05547	0.7
191.07169	0.9
195.06577	0.9
201.05547	1.9
203.03479	0.9
203.07051	1.4
207.06633	12.5
219.06622	4.4
221.04535	19.4
222.05038	0.9
231.06622	7.2
233.04617	0.8
235.06088	2.4
239.05542	2.5
249.07681	8.7
251.05481	2.8
267.08713	3.8
267.26736	0.6
294.54865	0.7
311.07718	40.9
312.07999	1.0
351.10861	11.1
358.89310	0.5
381.12015	1.3
383.09698	2.8
393.11813	3.9
395.09784	6.3
401.10852	3.1
411.12796	1.7
413.11035	6.6
415.12216	0.7
425.11105	0.9
437.10776	1.0
443.11847	3.7
455.11893	2.8
473.13000	39.7
474.13364	1.8
587.16003	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	587.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	29.0
69.30893	19.2
71.01376	25.2
73.47246	4.5
84.99090	4.1
85.02935	6.1
89.02430	37.5
96.96005	5.1
99.00894	11.1
101.02441	10.8
106.04268	7.5
108.51837	5.1
116.53520	4.4
125.02468	24.2
131.03477	8.8
138.21309	5.0
149.04543	9.7
179.63736	5.6
191.05615	4.9
204.02368	4.6
222.66006	5.0
233.06572	21.8
244.59102	4.8
257.11804	16.3
273.16815	4.4
293.08771	100.0
551.21008	15.7
587.18579	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1899
Annotation	Pierotin A
Peak:m/z	Relative Intensity
54.06099	5.2
55.78193	5.4
56.36195	4.9
59.01371	30.1
61.98821	23.5
68.80337	4.9
69.43856	26.5
71.01374	21.3
71.73274	5.4
82.95412	18.5
85.24710	5.5
88.72781	5.4
88.98813	10.5
93.03451	10.5
101.02425	7.4
111.23703	6.2
119.03522	5.9
137.02435	7.9
155.03494	5.4
163.67563	5.8
173.04608	9.2
227.10756	57.4
241.35509	5.8
258.03265	6.3
269.11731	6.6
276.50870	6.0
339.25806	7.6
364.60687	5.7
389.15961	17.1
401.41321	7.0
508.22766	6.2
542.33405	7.0
551.21240	8.4
587.18964	100.0
592.57349	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01378	100.0
61.98823	9.5
69.21616	4.1
71.01373	7.7
73.02955	2.3
81.03462	0.7
82.95415	1.3
83.01428	1.1
85.02953	4.3
87.00883	1.2
89.02446	1.6
93.03471	1.5
95.05033	1.6
96.96037	0.9
99.00900	0.9
101.02429	7.1
103.00401	0.8
107.05029	1.5
113.02443	3.6
119.03537	1.2
139.04036	3.1
153.83182	0.7
155.08270	1.2
161.04559	4.0
161.09785	1.7
161.13358	10.3
173.04626	1.1
187.11272	28.8
191.05701	1.7
205.12312	15.8
251.11349	16.6
337.71793	0.7
439.23349	11.4
483.22183	5.2
501.23032	3.3
543.24365	10.6
587.24707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01378	100.0
61.98829	2.5
67.16958	0.9
69.37834	4.3
70.85034	0.8
71.01387	7.0
73.02946	3.4
73.03315	0.8
74.93820	0.7
76.33705	0.8
76.34185	0.9
85.02944	3.1
88.98821	1.3
89.02441	2.9
93.03442	1.2
95.05024	1.5
96.96012	2.0
101.02457	5.8
113.02441	5.0
139.04008	7.2
161.04509	4.5
161.13364	10.7
173.04477	1.2
179.05440	1.0
187.11285	25.4
187.13028	1.4
188.11827	0.8
191.05569	1.2
205.12325	18.0
231.09947	0.9
241.27806	1.0
251.11385	14.8
307.11292	0.8
439.23376	9.9
465.20795	1.0
483.22342	3.3
501.23425	3.6
518.28607	0.9
543.24518	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	587.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41068	0.8
56.08138	0.8
58.38976	1.0
59.00122	0.8
59.01378	16.2
59.86230	0.8
61.98823	3.8
71.01375	9.8
71.43038	1.1
73.02950	2.0
78.82709	0.8
85.02950	1.8
89.02445	15.6
95.22326	0.8
99.02937	0.8
101.02451	4.6
104.52765	0.8
113.02465	3.7
116.92815	1.0
119.03494	6.8
125.02477	1.0
128.90224	0.9
129.54005	0.9
131.03516	1.5
135.04433	0.8
139.63623	0.9
143.03493	2.1
149.04518	1.1
161.04533	2.1
170.76884	0.8
171.32025	0.9
179.05611	16.2
191.05640	3.0
197.13925	1.0
255.02826	1.3
283.02429	1.5
303.19696	7.9
321.20667	3.6
347.18616	100.0
348.18991	4.4
363.18082	0.9
365.19681	41.0
366.20132	1.7
384.80740	1.0
404.44208	0.9
442.52841	1.0
451.08923	1.0
461.09128	1.1
527.25006	3.5
569.61084	0.9
587.11908	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	587.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58702	1.0
54.12219	1.0
60.49708	1.0
70.71148	1.2
78.95898	11.0
79.95724	1.9
87.75373	1.1
96.00916	1.1
96.96014	100.0
96.96925	15.0
99.63537	1.1
113.12260	1.1
114.31274	1.2
179.23837	1.2
182.35210	1.0
213.92392	1.3
253.83316	1.1
259.29602	1.1
280.83575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12440	2.5
69.46049	0.4
78.76743	0.4
78.95904	8.9
79.95731	3.2
91.04002	0.6
96.00929	0.9
96.92208	0.7
96.96008	100.0
96.96922	12.7
113.92567	0.6
121.24258	0.4
160.68646	0.5
176.78278	0.4
187.56581	0.4
194.28221	0.4
277.21619	0.5
279.24005	0.4
279.26984	1.1
341.27127	0.5
367.45221	0.5
415.30688	0.6
439.23724	0.7
461.41745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54372	0.5
59.01360	2.2
66.89355	0.7
69.03436	1.9
69.31979	1.1
69.32379	2.4
71.01376	7.7
72.32748	0.5
73.02945	0.8
73.39084	0.5
85.02953	0.8
89.02445	0.7
95.01369	1.5
96.96004	18.8
97.43671	0.6
98.22626	1.0
101.02456	2.8
113.02442	8.2
114.93430	1.1
115.00373	5.6
116.92824	1.3
123.00867	12.2
124.49658	0.6
138.03221	18.4
139.03996	2.5
153.05554	8.9
161.04533	2.1
166.16208	0.5
166.99834	8.5
182.02208	40.3
191.05684	0.7
197.04543	100.0
198.04965	1.0
268.05692	0.7
275.07806	1.2
359.09814	50.2
360.10226	1.4
473.12863	4.4
589.16156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	1.2
69.03451	1.5
69.29473	1.3
71.01382	7.9
73.02941	0.4
84.88047	0.4
85.02936	1.0
95.01353	1.3
96.95985	0.9
98.58788	0.5
101.02449	1.0
105.78100	0.4
113.02448	6.0
115.00359	6.2
116.45442	0.5
123.00875	12.8
138.03221	19.0
139.03993	0.9
153.05557	9.7
161.04546	1.8
166.99855	12.4
167.03517	0.9
182.02203	41.1
197.04538	100.0
198.04893	1.7
239.05479	0.6
275.07925	0.9
359.09802	50.0
360.10129	1.8
390.47055	0.5
468.43518	0.4
473.12787	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	589.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.27359	0.2
69.03445	1.4
71.01379	8.4
71.40675	0.2
73.02937	0.7
81.03480	0.2
83.01368	0.3
85.02924	0.9
89.02467	0.4
95.01389	1.3
95.05029	0.3
96.96010	0.6
99.00887	0.3
101.02435	1.0
109.02929	0.2
113.02441	7.5
114.99555	0.3
115.00367	5.2
116.92838	0.2
121.02887	0.2
123.00878	14.7
123.04536	0.2
124.01174	0.2
135.04495	0.2
137.02464	0.5
138.03221	22.0
139.04031	1.9
149.06023	0.2
153.05566	10.1
158.02415	0.2
161.04573	1.7
165.05588	0.2
166.99846	12.8
168.00253	0.2
181.01372	0.5
182.02200	46.4
183.02580	0.8
189.05789	0.2
196.03754	0.2
197.04535	100.0
198.04877	2.0
207.03001	0.3
239.05594	0.5
275.07709	1.2
313.09070	0.2
323.48856	0.2
359.09802	44.8
360.10156	1.5
473.12970	3.3
606.09229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58369	0.5
59.01377	0.6
60.99304	14.3
61.98821	0.8
88.98805	100.0
89.02483	0.8
93.06519	0.6
106.04269	0.8
135.72333	0.6
161.09709	2.2
170.40758	0.5
177.59045	0.5
191.05582	0.6
205.08688	4.2
217.30573	0.5
245.64975	0.5
258.84985	0.5
265.18118	0.6
439.68372	0.6
462.03122	0.6
553.31049	0.8
589.17175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14035	1.5
59.01378	20.8
60.99294	1.5
61.16143	1.3
61.98838	6.7
67.01893	5.6
71.01373	10.9
73.02929	5.3
81.03439	1.8
81.29830	1.2
85.02522	1.5
85.02946	8.7
87.00873	5.0
89.02437	24.8
89.02942	2.3
93.03457	23.4
99.00896	6.8
101.02438	11.1
105.03436	1.6
106.04247	24.7
107.05025	6.8
109.02971	1.8
111.04527	3.6
113.02468	2.5
123.04501	1.7
127.04037	2.4
131.03514	2.8
132.02153	1.9
133.02962	16.0
134.03712	2.3
135.04538	15.0
137.02390	1.9
141.01759	1.4
143.03467	1.9
147.38188	1.2
149.02519	1.9
149.04546	28.8
150.03226	5.6
151.04010	7.0
155.03488	1.9
159.08070	1.4
160.01686	5.5
161.02490	1.8
161.04506	1.4
161.09718	52.3
162.10085	1.4
165.05548	1.8
173.04552	27.0
176.34514	1.2
177.01949	8.7
179.03520	5.0
179.07149	1.7
191.05606	100.0
192.05963	1.8
195.06651	2.2
199.19044	1.3
205.08688	91.9
206.08968	2.1
207.02980	8.0
208.03764	2.1
210.77756	1.6
215.05649	7.1
221.06474	3.2
221.08224	3.5
222.05365	3.9
223.06082	7.8
233.67799	1.4
237.07706	5.4
239.09235	24.2
251.07648	5.3
293.08881	1.7
311.09915	5.7
317.25711	1.4
351.07251	9.1
397.09412	7.8
427.17612	70.2
428.17914	2.5
505.18613	4.0
545.16516	1.7
557.13159	5.5
589.21057	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	589.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18357	0.4
53.56732	0.3
53.74761	0.4
57.03411	0.4
59.01379	28.4
60.56680	0.4
61.44942	0.4
69.21603	2.4
71.01010	0.6
71.01380	8.1
72.99307	0.4
85.02962	2.2
87.00895	0.7
89.02444	6.8
93.03447	0.4
95.01374	0.9
95.90201	0.4
98.08292	0.4
98.22700	0.7
101.02442	5.4
106.04239	10.1
113.02428	4.3
119.03474	2.1
121.02931	1.2
138.03244	0.6
149.81905	0.4
150.03204	0.8
160.09004	0.6
161.09715	26.3
163.07594	0.8
189.09273	0.5
191.05545	1.0
203.10728	0.6
204.07840	1.3
205.08682	100.0
206.07306	0.5
206.09077	2.1
219.10220	2.5
229.08765	0.6
247.09737	13.4
261.90787	0.7
277.10858	1.8
307.11850	5.9
367.13959	66.7
368.14175	1.4
380.61655	1.0
493.49600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.03034	0.7
57.03450	0.8
59.01378	100.0
61.98824	3.6
62.91721	0.6
64.04467	0.6
65.36986	0.6
68.54865	0.6
69.03444	1.1
70.94254	0.6
71.01376	24.9
73.02941	5.6
75.00865	0.8
81.03443	1.4
82.95398	0.7
83.01404	3.1
83.05040	0.8
85.02953	9.8
87.00881	3.8
88.98833	1.9
89.02443	22.4
93.03471	1.6
95.01382	1.1
95.05028	2.6
96.96034	1.0
97.02952	1.3
99.00885	1.8
99.04514	1.4
101.02435	20.2
103.04023	1.4
107.05018	0.7
111.00916	0.9
111.04533	2.2
113.02443	15.9
113.06101	1.0
115.04019	1.7
117.05582	1.5
119.03502	12.5
119.04936	0.9
125.02467	1.3
131.03531	2.0
135.04552	0.9
135.06628	18.2
139.03998	14.9
143.03487	3.3
148.08910	0.9
150.06891	1.4
152.92143	0.8
155.03490	1.5
157.06525	0.9
159.03004	2.2
159.08112	1.2
159.11737	1.1
161.04564	6.3
161.13356	25.7
172.08899	0.9
172.64900	0.6
173.04572	1.0
179.05597	5.4
185.09702	0.8
187.11273	29.0
189.09245	1.9
191.05608	2.5
200.13092	0.9
201.04037	2.2
201.07594	0.8
201.12881	0.9
205.12315	58.7
207.10234	1.6
229.12341	1.7
247.13354	1.1
249.11322	1.4
251.34041	0.9
253.09265	3.6
279.10834	12.0
297.11890	97.5
298.12247	0.9
334.26019	0.8
425.69955	0.7
441.21097	1.0
485.23914	21.7
511.22375	0.8
529.22772	22.2
534.99481	0.7
545.21985	1.2
547.23792	1.9
553.32275	4.5
589.24921	39.3
590.25305	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03436	1.1
59.01378	100.0
61.63377	0.6
61.98830	5.9
69.03462	1.1
69.10291	5.0
71.01379	18.7
73.02944	6.3
78.95914	0.9
79.97594	0.7
81.03461	0.9
82.95407	1.1
83.01378	3.6
83.05027	1.5
83.40273	0.8
85.00435	0.8
85.02953	11.6
87.00872	1.5
89.02460	3.0
93.03457	5.1
95.01391	2.0
95.05038	1.2
97.02946	1.7
99.00915	2.3
101.02445	11.8
111.00906	1.2
113.02447	8.9
115.04056	1.0
116.79609	0.7
119.03518	1.4
125.02499	1.4
127.60563	0.8
137.02440	7.2
139.04004	8.1
143.03532	2.5
152.99571	0.8
159.03012	1.5
161.04604	1.7
161.72722	0.7
163.00432	0.8
163.11263	1.0
171.10257	2.6
185.15533	2.8
199.17113	0.8
201.11293	4.4
209.11835	22.9
227.12997	1.6
229.18123	2.2
243.10223	1.6
270.94214	0.9
341.26990	2.6
345.09891	1.5
372.21603	1.8
389.21796	4.0
390.22662	5.6
405.21237	3.6
422.21503	4.8
467.30142	3.8
485.31177	48.4
486.31558	4.3
503.32175	17.8
504.32712	1.9
545.33734	3.6
589.32178	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56782	0.4
59.01385	0.6
61.98819	0.6
69.05598	1.9
72.99317	1.9
75.00871	100.0
91.04827	0.4
98.21866	0.7
124.20296	0.4
131.65984	0.4
156.17029	0.3
215.85101	0.4
266.07150	0.4
273.92245	0.4
277.21692	0.9
372.85559	0.4
440.01193	0.4
449.28427	0.4
576.57495	0.4
576.66144	0.4
601.46332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43167	0.7
57.03444	0.7
58.71767	0.8
59.01377	15.4
61.98830	100.0
69.03444	0.8
70.98168	1.0
71.01379	7.3
72.99303	0.8
73.02923	1.0
76.65811	0.8
83.01375	1.5
84.68562	0.7
85.02969	2.1
87.00901	2.7
89.02448	1.0
98.06129	1.7
101.02454	2.3
113.02490	1.4
116.07175	20.3
135.08150	0.7
155.16101	0.7
177.61496	0.7
189.32698	0.8
225.18555	1.5
232.75880	0.7
243.19696	1.3
342.26492	6.2
486.30472	3.7
494.26993	0.7
504.31812	13.5
505.32404	0.9
527.02368	0.8
546.32825	62.1
547.32770	3.9
550.27643	0.7
590.36499	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	590.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48310	0.6
55.01876	1.1
57.03458	1.2
58.00598	0.8
59.01377	100.0
61.98830	2.0
69.06586	3.6
69.06998	1.0
70.02999	1.0
70.70567	0.6
71.01380	54.9
72.99304	1.4
73.02946	1.6
83.01395	2.9
83.05029	0.8
85.02951	7.8
85.06599	1.7
87.00881	1.4
88.04045	1.6
89.02441	58.9
95.01362	3.7
97.06612	0.9
98.02496	1.1
101.02439	34.2
108.08203	3.5
109.68322	0.6
113.02445	19.8
119.03502	32.3
126.09246	5.7
131.03488	2.6
131.62244	0.7
136.07649	0.9
138.09261	1.8
143.03529	4.7
149.04558	2.7
150.44434	0.7
154.08788	0.8
156.10318	2.3
161.04561	5.1
166.08791	1.6
179.05641	12.4
184.09856	1.3
185.17162	0.9
225.22223	11.4
253.21713	2.5
255.23222	1.2
270.24307	0.9
271.22766	6.5
296.25967	4.2
312.25555	1.3
324.25497	1.0
380.31689	1.9
392.31628	2.6
410.32727	38.5
411.33078	2.2
428.33719	14.6
590.39081	71.1
591.39490	4.4
597.36188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.5
65.31123	0.8
69.33784	3.2
71.01385	12.1
77.03958	0.8
78.07402	0.7
80.77369	0.9
83.01396	1.3
85.02975	1.0
95.81404	0.7
99.07434	0.8
109.02969	1.2
115.00379	9.6
121.02953	100.0
122.03253	0.8
123.04565	1.1
125.02443	29.0
133.02951	1.0
137.02454	4.3
148.96512	0.8
149.02348	1.2
151.04103	1.0
161.02415	8.0
164.01242	1.2
165.01936	1.5
165.84955	0.8
172.28159	0.9
176.52272	0.8
177.01971	1.4
183.78490	0.9
191.05598	16.3
219.06633	0.8
220.07378	0.8
221.85353	0.8
229.05118	0.9
237.04016	18.5
238.04445	0.9
269.93106	1.3
287.05563	2.2
289.07242	2.2
299.05661	1.2
303.08658	4.4
353.08466	1.4
421.05499	0.9
439.10138	1.3
465.11319	1.3
591.14972	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	591.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.7
59.61315	0.6
70.68112	0.7
71.01376	14.8
75.63293	0.7
81.03462	0.7
81.33720	0.7
83.01400	1.0
85.02954	0.8
85.97188	0.7
93.03403	0.7
97.02941	2.3
109.02930	2.0
115.00373	9.4
120.02071	0.7
121.02950	100.0
123.04475	1.0
125.02441	41.2
129.32239	0.7
133.02914	1.1
137.02432	6.7
138.03148	0.9
144.77522	0.7
149.02385	1.2
151.04019	0.7
160.45195	0.7
161.02429	11.9
162.02885	0.8
163.00267	0.8
163.04068	1.1
164.01190	1.5
165.01923	1.5
167.03540	1.2
167.59912	0.6
175.04013	1.2
177.01883	1.8
182.02278	0.8
191.05591	15.0
201.05464	1.3
220.07384	1.1
237.04021	16.1
239.17229	0.7
244.07372	1.2
245.04376	0.7
287.05591	3.3
289.07141	4.4
295.46112	0.7
299.05508	2.3
303.08710	7.1
329.20908	3.2
330.21262	0.7
347.22098	0.8
353.09045	1.9
373.19891	1.5
391.20865	0.9
439.10040	2.7
465.11761	1.8
591.14899	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	591.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66373	0.4
56.49980	0.4
57.03445	12.6
68.96690	0.5
70.14932	0.4
74.55154	0.4
83.01389	1.6
86.68571	0.5
93.03465	0.7
95.04987	0.6
97.02943	2.5
108.02187	0.5
109.02951	2.1
121.02939	0.7
122.03734	2.0
123.04546	1.3
123.09584	0.5
125.02443	100.0
126.02748	1.0
131.12489	0.4
133.02962	2.4
133.92165	0.5
137.02437	10.5
139.04013	0.6
149.02463	0.9
150.03198	1.0
151.02972	0.4
151.03929	2.2
157.06567	0.5
159.04521	0.9
161.02444	18.1
162.03053	0.7
163.04018	1.6
164.01176	1.5
165.01936	1.8
165.05542	0.7
175.03998	2.4
177.01920	1.4
179.03658	0.6
187.03967	2.8
188.04715	0.5
190.02818	0.5
191.05646	1.0
201.05452	0.5
203.03569	0.9
204.04173	0.6
205.05150	0.5
215.03410	0.7
215.07030	0.5
217.05127	0.7
217.08530	0.5
220.07494	0.7
229.05029	2.9
231.02834	0.6
235.09743	0.8
243.06584	0.5
245.04565	1.3
251.80109	0.5
255.03024	1.6
257.04443	0.7
259.09842	0.7
261.07672	0.6
269.04584	0.7
273.04068	2.0
273.06937	0.4
287.05652	5.3
289.07166	1.3
299.05624	4.8
303.08759	10.9
303.64160	0.4
311.09479	1.0
321.88245	0.6
353.10364	2.5
358.51419	0.5
395.11356	1.7
421.09351	1.6
439.10318	13.9
439.16110	0.9
465.11740	3.0
545.54498	0.5
591.15112	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	591.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.4
69.03419	0.5
70.45207	0.8
75.00274	0.4
81.03436	0.8
81.66946	0.4
83.01396	2.1
84.93687	0.4
89.06240	0.4
95.01334	0.5
95.05025	1.3
97.02945	4.7
102.60627	0.4
105.19376	0.4
108.02172	0.4
109.02934	2.4
117.03474	0.5
118.75938	0.3
120.02131	0.4
121.02959	1.1
122.03731	2.4
123.00887	0.5
123.04553	1.8
125.02438	100.0
126.02807	1.0
130.42929	0.4
133.02937	2.3
135.04507	0.9
137.02434	13.4
138.03209	0.5
139.04022	1.3
139.55255	0.3
149.02460	1.0
150.03227	1.4
151.04004	1.6
159.04546	1.1
161.02429	26.9
162.03146	0.8
163.00368	1.1
163.03993	1.5
164.01181	2.3
165.01912	2.6
165.05542	0.7
166.02719	0.8
167.03473	0.4
175.04019	1.8
176.01118	0.7
176.04517	0.4
177.01866	2.8
178.02721	0.4
187.04036	1.4
188.04944	0.4
201.05537	0.8
202.06383	1.1
203.03496	0.6
203.07199	0.7
204.04271	1.0
205.01436	0.6
205.05104	0.3
217.05019	0.4
217.08694	1.1
219.06601	1.6
220.07375	1.5
229.05074	1.5
232.60788	0.4
235.09677	1.2
243.02951	0.6
243.06711	0.8
244.03946	0.4
244.07396	1.8
245.04579	0.7
255.02969	0.9
256.75757	0.4
259.09711	0.7
261.07629	0.7
269.04462	0.5
273.04047	1.4
285.07675	0.7
287.05582	9.7
288.06293	0.5
289.07108	3.7
299.05539	5.5
303.08701	18.9
343.08081	0.6
353.10226	1.2
395.11145	0.8
421.09323	0.7
439.10321	6.5
452.54138	0.4
465.11810	5.9
466.12479	0.4
591.15094	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	591.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52872	0.4
57.03445	10.4
63.73532	0.4
69.03470	0.5
69.53339	0.4
70.98012	0.4
81.03422	0.5
83.01396	2.2
93.03444	0.8
95.01394	0.4
95.04993	1.0
97.02946	4.4
104.45773	0.4
108.02142	0.6
109.02954	1.4
117.03516	0.5
121.02956	1.2
122.03716	3.4
123.04517	1.2
125.02442	100.0
126.02789	0.9
133.02957	2.3
135.04509	0.7
137.02443	12.5
139.04028	1.3
148.01714	0.4
149.02455	1.3
150.03197	1.3
151.04005	1.6
159.04599	0.6
161.02437	25.5
162.03215	0.9
163.00377	1.2
163.04066	1.0
164.01134	2.8
165.01872	2.4
165.05609	0.9
166.02699	0.5
175.03996	1.7
176.01073	0.4
176.04794	0.4
176.22920	0.4
177.01936	2.2
178.02727	0.5
179.03482	0.5
187.04041	1.3
189.01942	0.4
199.04124	0.5
201.05542	1.2
202.06364	0.8
204.04173	0.8
205.01427	0.8
217.08731	1.0
219.06616	1.6
220.07414	1.6
225.05540	0.5
229.05022	1.3
235.09711	1.2
236.74973	0.4
237.48570	0.4
243.06651	0.6
244.03667	0.4
244.07420	1.3
245.04503	0.8
255.02887	0.4
259.09723	1.1
261.07761	0.6
261.36423	0.4
273.04102	1.4
287.05585	8.5
289.06946	0.4
299.05603	6.5
303.08722	21.1
343.07928	0.5
353.10300	1.5
395.11267	0.6
418.90436	0.4
421.09161	0.5
439.10294	6.8
440.10959	0.5
465.11816	5.6
547.16766	0.4
591.15002	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1531
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
57.03446	13.7
59.01371	1.3
61.87343	0.7
69.03436	0.9
69.49577	3.0
71.01370	3.1
81.03450	1.2
83.01388	3.1
85.75249	0.6
93.03442	1.0
95.05017	1.6
97.02943	6.2
98.21938	1.2
98.81601	0.6
99.00977	0.7
99.04523	0.9
109.02950	7.0
115.00379	1.5
121.02953	22.6
122.03712	2.4
123.00887	1.0
123.04541	6.2
124.01707	1.1
125.02441	100.0
126.02789	1.3
132.43108	0.7
133.02917	2.9
135.04533	1.7
137.02441	19.7
138.03130	0.9
139.00372	1.3
139.04018	1.8
141.01939	1.9
148.01700	1.0
149.02431	2.6
150.03249	1.3
151.00333	1.5
151.03983	4.2
153.01866	1.5
159.04536	1.4
161.02446	25.4
161.06096	1.7
162.03198	2.2
163.00349	2.4
163.03983	3.0
164.01143	5.9
165.01944	5.5
166.02705	1.1
167.03499	5.6
175.04007	3.2
175.78008	0.7
177.01923	4.2
178.02704	0.9
179.03583	1.7
187.03958	3.6
188.04781	1.4
191.05638	2.9
197.04605	1.0
201.05605	3.0
202.06389	1.8
203.07115	2.6
204.04295	1.4
205.01437	0.9
205.05061	1.6
215.03418	1.3
217.05052	0.9
219.06650	1.4
220.07394	2.1
227.03528	1.3
229.04967	1.5
237.04062	2.9
243.06563	0.9
244.07379	1.3
245.08287	3.7
255.02908	1.1
257.04388	1.0
259.02451	1.4
269.04486	1.3
271.02350	1.0
273.04156	1.9
283.06213	0.8
287.05499	6.9
289.07138	20.8
299.05588	6.6
301.07141	2.4
303.05057	2.7
303.08655	15.7
329.06583	0.8
341.10370	1.0
351.17828	0.8
353.10306	1.0
407.07797	1.4
421.05502	1.0
439.10791	5.3
465.11905	7.0
482.85379	0.8
573.13660	1.1
591.15106	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01376	15.1
61.98832	0.6
65.03953	0.4
69.03437	0.2
71.01374	1.0
73.02922	0.4
81.41602	0.1
83.01384	0.6
85.02945	0.4
87.00885	0.2
88.98803	0.5
89.02438	0.5
92.02671	0.1
93.03454	60.5
94.03768	0.7
96.41273	0.1
96.96010	0.2
100.49594	0.1
101.02448	0.9
107.05014	0.4
111.04510	0.2
113.02429	0.7
113.06126	0.1
119.05054	0.2
121.02915	0.2
123.04561	0.1
125.02440	0.2
135.04512	1.5
137.02440	100.0
138.02777	1.1
139.04033	0.8
159.08157	0.2
161.04608	0.2
161.13376	1.0
173.04541	0.3
177.01936	0.2
179.00226	0.2
179.03526	1.9
179.07204	0.1
187.11272	5.0
191.05592	0.8
201.11391	0.2
205.12285	1.6
225.09087	0.1
229.12285	0.3
231.10255	0.3
247.13496	0.2
249.11310	0.5
252.17664	0.1
273.11398	0.2
281.06628	0.7
291.12296	0.3
299.07648	0.8
315.04532	0.1
315.12326	0.7
333.13474	0.2
349.16599	0.9
365.95386	0.1
387.07645	0.2
393.15628	0.9
411.16293	0.1
453.17709	1.1
487.19775	1.2
505.08209	0.1
531.11731	0.2
531.18689	1.4
531.27283	0.2
549.19824	0.3
591.20941	2.9
591.31659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01376	15.1
61.98832	0.6
65.03953	0.4
69.03437	0.2
71.01374	1.0
73.02922	0.4
81.41602	0.1
83.01384	0.6
85.02945	0.4
87.00885	0.2
88.98803	0.5
89.02438	0.5
92.02671	0.1
93.03454	60.5
94.03768	0.7
96.41273	0.1
96.96010	0.2
100.49594	0.1
101.02448	0.9
107.05014	0.4
111.04510	0.2
113.02429	0.7
113.06126	0.1
119.05054	0.2
121.02915	0.2
123.04561	0.1
125.02440	0.2
135.04512	1.5
137.02440	100.0
138.02777	1.1
139.04033	0.8
159.08157	0.2
161.04608	0.2
161.13376	1.0
173.04541	0.3
177.01936	0.2
179.00226	0.2
179.03526	1.9
179.07204	0.1
187.11272	5.0
191.05592	0.8
201.11391	0.2
205.12285	1.6
225.09087	0.1
229.12285	0.3
231.10255	0.3
247.13496	0.2
249.11310	0.5
252.17664	0.1
273.11398	0.2
281.06628	0.7
291.12296	0.3
299.07648	0.8
315.04532	0.1
315.12326	0.7
333.13474	0.2
349.16599	0.9
365.95386	0.1
387.07645	0.2
393.15628	0.9
411.16293	0.1
453.17709	1.1
487.19775	1.2
505.08209	0.1
531.11731	0.2
531.18689	1.4
531.27283	0.2
549.19824	0.3
591.20941	2.9
591.31659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01376	15.1
61.98832	0.6
65.03953	0.4
69.03437	0.2
71.01374	1.0
73.02922	0.4
81.41602	0.1
83.01384	0.6
85.02945	0.4
87.00885	0.2
88.98803	0.5
89.02438	0.5
92.02671	0.1
93.03454	60.5
94.03768	0.7
96.41273	0.1
96.96010	0.2
100.49594	0.1
101.02448	0.9
107.05014	0.4
111.04510	0.2
113.02429	0.7
113.06126	0.1
119.05054	0.2
121.02915	0.2
123.04561	0.1
125.02440	0.2
135.04512	1.5
137.02440	100.0
138.02777	1.1
139.04033	0.8
159.08157	0.2
161.04608	0.2
161.13376	1.0
173.04541	0.3
177.01936	0.2
179.00226	0.2
179.03526	1.9
179.07204	0.1
187.11272	5.0
191.05592	0.8
201.11391	0.2
205.12285	1.6
225.09087	0.1
229.12285	0.3
231.10255	0.3
247.13496	0.2
249.11310	0.5
252.17664	0.1
273.11398	0.2
281.06628	0.7
291.12296	0.3
299.07648	0.8
315.04532	0.1
315.12326	0.7
333.13474	0.2
349.16599	0.9
365.95386	0.1
387.07645	0.2
393.15628	0.9
411.16293	0.1
453.17709	1.1
487.19775	1.2
505.08209	0.1
531.11731	0.2
531.18689	1.4
531.27283	0.2
549.19824	0.3
591.20941	2.9
591.31659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17936	0.3
59.01384	4.8
61.98829	0.8
67.60309	0.4
69.16740	2.3
71.01376	1.4
73.02946	1.9
85.02969	0.5
89.02480	0.6
93.99501	0.4
97.06531	0.4
97.96690	0.4
98.22684	0.7
101.02442	1.9
108.02148	0.5
109.02925	1.0
121.02945	2.6
122.03745	1.5
123.00891	1.1
123.04579	0.4
125.02460	0.6
133.03041	0.5
136.01662	35.3
137.02473	4.8
149.02444	0.4
149.04645	0.5
149.05981	0.4
151.00391	9.0
151.04008	46.9
152.01207	0.7
152.04758	1.2
154.02759	0.5
159.04543	0.6
160.05280	0.8
161.02483	0.9
161.04579	0.6
162.03314	0.7
163.04037	0.9
165.01898	0.5
166.02716	28.6
167.03432	0.8
175.04008	0.9
175.07622	0.8
177.02013	1.3
177.05605	0.8
181.05063	34.3
182.05334	1.0
190.06326	0.6
191.05672	0.6
193.05025	0.9
205.05034	0.5
205.08723	0.5
207.06691	0.6
224.62700	0.4
274.90652	0.4
327.08759	0.5
329.10406	1.7
357.09811	10.0
369.13409	0.9
372.12027	6.6
387.14484	100.0
388.14896	3.1
429.17944	0.4
439.63974	0.5
547.27411	0.5
591.23749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.6
59.01377	4.8
60.99305	14.0
62.81659	0.3
65.47417	0.3
65.84101	0.3
69.23119	1.5
71.01382	1.4
71.49544	0.3
72.99363	0.3
73.02942	1.0
85.02923	0.4
85.23902	0.3
87.00880	0.7
88.98804	100.0
89.02444	1.5
89.99144	0.4
98.56429	0.3
101.02464	0.9
101.24740	0.3
107.05011	0.4
113.02443	0.6
113.06125	0.3
119.03574	0.4
125.48137	0.3
134.06133	0.5
135.04517	0.8
139.04016	1.6
153.29582	0.3
161.04570	0.4
161.09724	0.7
179.03510	0.6
179.05688	0.4
187.11200	0.5
189.09193	0.5
190.05119	0.6
191.05551	0.6
197.97507	0.3
201.04068	0.5
205.12309	0.5
223.13277	0.8
364.64948	0.4
369.15289	0.6
389.15576	0.4
429.17786	0.8
591.22656	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	591.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.0
60.99306	17.2
61.53355	0.5
61.98804	0.6
69.08706	3.5
71.01378	3.1
73.02943	1.5
79.33121	0.6
83.05034	0.6
88.98804	100.0
89.02444	1.9
91.95656	0.5
95.01405	0.7
101.02435	2.5
113.02456	1.6
119.03431	0.7
135.04573	2.8
161.04562	0.6
163.11406	0.6
179.03488	3.4
187.11293	1.2
191.05499	0.7
205.12323	0.6
223.13518	0.9
267.12433	1.5
369.15512	1.4
429.17538	1.9
591.22357	6.0
591.29834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98356	1.1
59.01379	31.7
61.98822	5.8
70.95694	1.9
71.01376	12.5
73.02937	13.5
83.01379	3.2
85.02950	3.3
87.00896	2.2
89.02444	6.0
101.02429	11.8
108.02198	1.2
113.02478	5.8
119.03493	1.8
125.02458	2.1
125.03661	1.0
147.71626	1.0
157.08801	1.2
160.04034	6.9
191.05600	2.3
209.15585	1.3
247.16991	1.4
263.20047	3.7
265.18152	11.2
281.21118	1.7
283.19073	4.0
425.24805	1.3
427.23315	2.2
443.26511	1.2
445.24655	4.7
487.25403	12.6
505.26840	1.8
529.26605	4.7
547.27594	100.0
548.28064	3.1
585.50659	1.0
592.23785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60709	1.4
57.03432	3.4
59.01377	27.2
59.67746	1.4
60.87500	1.3
61.98825	7.6
62.81773	1.3
69.44666	2.3
69.45046	2.6
71.01373	11.5
73.02955	10.9
83.01385	3.0
83.04985	1.7
84.38202	1.2
85.02946	3.4
87.00887	3.6
89.02451	5.3
98.87073	1.3
101.02435	8.5
113.02437	5.3
119.03512	2.6
121.38811	1.3
125.02412	6.0
137.02399	1.9
148.49458	1.4
161.02444	2.2
191.05560	3.3
245.19121	2.5
250.53616	1.4
263.20157	6.9
273.24579	1.4
281.21161	1.8
289.18063	4.4
307.19138	14.0
309.20700	2.9
325.20126	14.5
327.21890	1.8
469.24228	2.4
487.25430	8.4
505.26389	3.9
529.26410	17.9
547.27582	100.0
548.27850	4.4
591.14117	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	591.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24015	0.8
53.16218	0.9
55.01861	4.8
57.03447	5.1
59.01377	95.6
61.98831	7.8
65.30692	0.9
69.03445	3.1
71.01379	74.2
72.99303	1.8
73.02943	18.8
75.00884	1.2
78.91869	1.0
78.95895	2.1
81.03484	1.3
82.95412	4.4
83.01394	9.6
84.95132	2.0
85.02948	30.7
87.00872	8.4
89.02442	46.0
93.03452	3.7
95.01372	6.4
95.04996	1.1
96.95988	1.5
97.02959	2.4
99.00875	6.8
101.02440	58.6
107.05033	2.3
113.02449	40.3
115.03959	0.9
116.92886	1.1
119.03500	18.6
125.02431	4.1
131.03497	9.3
134.03745	1.4
135.04524	35.3
137.02434	11.7
137.06006	2.0
139.03987	4.3
143.03490	8.1
149.04539	1.8
152.99591	1.5
159.03008	4.1
161.04559	31.7
171.10271	4.4
173.04587	1.7
178.10278	1.1
179.03517	19.2
179.05605	46.7
187.11263	2.0
191.05611	5.8
194.16693	1.0
195.65480	1.2
201.11293	2.8
209.11806	2.2
221.06656	32.1
232.63869	1.1
263.07721	10.6
299.11328	1.6
315.18173	2.4
323.09845	1.3
363.11850	1.3
424.03897	1.0
477.23401	100.0
477.30164	4.9
478.23630	3.5
487.20087	1.2
487.32858	5.0
547.21924	4.3
547.30951	2.0
591.27155	1.5
591.34918	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	591.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28419	2.1
54.92186	2.4
55.01864	3.0
57.03441	4.4
59.01379	100.0
60.01685	2.2
61.98822	11.4
64.83686	2.4
65.53504	2.0
69.03437	2.9
71.01382	59.0
71.42120	2.7
72.99324	3.0
73.02946	25.3
76.43154	2.1
81.03461	2.5
82.95401	2.0
83.01384	6.2
85.02946	20.2
87.00866	7.1
88.98827	2.6
89.02450	31.1
93.03458	13.3
95.01404	2.7
99.00869	13.3
101.02428	37.2
105.46603	2.2
111.04567	3.1
113.02450	23.5
113.06099	3.1
115.04077	2.3
116.92876	3.2
119.03529	6.7
119.80877	2.6
125.02454	4.6
131.03503	7.2
135.04517	11.7
137.02423	17.1
137.06087	19.5
139.04022	13.0
141.05592	2.9
141.22122	2.1
143.03479	3.8
149.04555	12.5
161.04546	13.8
161.13383	2.9
171.10324	4.1
173.04515	4.2
179.03476	5.2
187.11259	4.5
191.05600	15.3
201.11371	9.4
241.01561	2.9
242.02202	4.1
270.01685	4.7
305.13837	13.6
331.15417	6.3
356.69431	2.4
399.23984	6.2
415.68457	2.5
418.34439	2.4
473.23602	3.1
531.28027	88.3
531.35815	4.4
532.28833	3.6
549.33759	3.8
591.16931	6.2
591.34912	11.9
595.01642	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03456	1.5
59.01376	100.0
61.98836	3.4
69.35149	0.6
71.01379	16.1
73.02939	6.6
82.95433	1.2
83.01397	2.7
85.02952	7.6
87.00872	1.2
89.02453	3.7
95.01392	0.9
97.02963	0.6
98.21899	2.2
99.00890	2.2
101.02438	9.0
113.02458	8.5
116.92854	1.6
119.03532	1.7
127.11306	1.8
135.04514	4.8
139.04054	2.4
143.03484	1.5
159.03000	1.0
161.04547	3.8
162.43182	0.8
173.04588	0.8
179.03532	2.0
179.05630	1.8
185.12038	0.8
191.05667	1.1
205.08771	0.8
205.12396	1.0
207.94366	0.7
232.90491	0.8
237.22267	2.2
239.20183	4.5
285.12408	0.7
445.27945	1.5
470.15295	0.9
477.23663	2.9
477.30478	1.2
487.33282	9.2
505.33975	2.5
529.30389	2.9
547.31183	87.8
548.31696	4.5
591.35254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03452	1.4
59.01376	100.0
60.51534	0.6
61.98822	5.0
67.50362	0.7
69.30439	3.2
71.01378	22.2
73.02944	6.6
75.00870	0.8
78.95903	0.7
79.34027	0.8
82.95430	0.9
83.01386	4.7
84.95123	1.2
85.02951	11.3
87.00877	2.4
89.02444	6.9
90.34383	0.6
93.03455	1.6
95.01399	2.0
95.05078	0.7
96.96045	1.8
97.02978	0.7
99.00916	2.4
101.02438	15.2
111.00890	0.9
113.02450	11.8
115.04107	0.7
116.92918	1.7
119.03527	2.7
123.04512	0.6
125.02473	0.8
127.11285	1.1
131.03537	1.1
134.03807	0.7
135.04536	10.4
136.04909	0.7
137.02466	1.2
139.04024	4.6
140.04420	1.3
141.04578	0.6
143.03503	2.1
152.99583	1.0
159.02989	1.1
161.04578	4.9
171.10313	1.3
173.04576	1.2
179.03510	3.6
179.05602	4.8
191.05676	2.0
201.11411	1.0
209.11969	1.3
221.06702	2.8
229.18188	1.3
235.99185	0.7
237.22357	1.9
239.20300	2.6
250.22107	0.6
260.68478	0.7
343.28513	0.8
391.23587	1.3
427.26974	0.9
431.46133	0.7
445.28207	1.4
461.30563	0.7
477.23407	8.5
477.30215	1.1
487.32861	17.9
505.33939	4.2
529.30121	3.7
547.31183	72.0
548.31488	4.1
591.34625	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	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26170	1.1
55.01878	1.5
57.03441	3.8
59.01377	100.0
61.98827	43.9
69.21036	2.5
69.21422	2.9
71.01383	21.6
71.05026	1.3
72.99298	1.0
73.02936	9.5
77.02979	1.2
81.31680	1.0
81.43249	0.9
83.01389	6.4
85.02950	14.1
85.80284	1.1
87.00901	2.0
89.02446	3.4
93.03441	2.6
95.01384	2.4
96.96025	2.2
97.02958	1.8
99.00861	2.6
99.92587	4.9
101.02442	14.0
113.02450	15.1
116.92905	2.7
125.09668	1.4
131.68141	1.2
134.45580	1.1
135.04565	2.0
137.02470	3.2
138.02011	3.2
139.04037	3.3
143.03511	2.7
152.25522	1.1
161.04555	4.0
179.10806	1.3
191.05580	2.2
209.11832	2.3
262.58951	1.2
266.57520	1.4
279.23260	4.3
343.25009	1.6
343.28455	7.4
387.08810	1.3
469.04697	4.3
477.30679	5.9
487.32794	56.2
488.33020	4.3
505.33957	39.1
506.34305	2.6
531.31146	2.5
547.30920	14.1
591.27832	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	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.12951	1.0
57.03444	2.0
59.01377	100.0
61.98827	94.0
63.74764	1.0
69.03453	1.6
69.09988	2.5
69.10392	4.1
71.01376	27.3
72.99290	0.9
73.02943	7.8
83.01394	4.5
83.05034	2.4
85.02945	13.4
87.00879	3.5
89.02425	6.6
95.01385	3.2
97.02985	1.6
98.22682	2.2
99.00888	2.4
100.00408	1.1
100.41378	1.1
101.02440	21.6
109.22781	1.1
111.00910	1.2
113.02453	16.1
119.03471	3.8
125.02441	2.3
135.11806	1.6
138.01967	1.6
139.04085	1.2
143.03505	2.4
153.09215	3.5
159.02919	1.2
161.04552	8.6
161.09702	1.9
163.97639	1.0
171.13820	1.8
179.10753	2.9
191.05647	3.0
205.12346	1.0
209.11777	2.1
315.18106	4.0
333.19247	2.4
343.28305	2.3
356.75964	1.3
364.59457	1.1
375.24231	1.1
385.18362	1.7
469.31824	1.7
477.23386	18.8
477.30515	4.8
487.32788	43.9
488.33041	3.1
505.34000	18.3
506.33667	1.2
531.31842	1.6
547.30872	22.4
591.28217	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	592.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01654	0.4
55.01888	1.0
59.01380	5.6
61.98830	8.9
69.18124	2.0
71.01373	2.7
73.02946	0.6
85.02930	0.8
88.98808	0.7
89.02436	2.6
100.06176	0.3
101.02422	1.1
101.28274	0.3
106.04240	0.4
113.02467	1.0
119.03502	1.3
136.05302	5.9
141.38191	0.3
151.04002	0.4
161.04536	1.2
165.72446	0.4
168.06432	0.4
169.06573	0.3
175.03999	0.3
179.05586	0.8
181.10220	3.3
191.05737	0.4
205.08656	0.4
225.09209	100.0
226.09598	2.7
227.10773	67.4
251.10735	0.8
364.35333	0.4
369.13293	0.7
371.14966	5.8
387.14490	23.4
388.14856	0.6
389.15906	0.6
425.99078	0.4
431.17068	1.2
473.33710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25558	20.9
59.01371	56.3
61.98818	70.1
69.33494	100.0
85.04086	21.4
88.35418	18.8
93.03464	26.4
109.02941	41.1
111.04549	21.5
116.92915	29.3
128.03503	23.8
152.01138	24.6
167.03526	20.0
173.04514	42.4
174.99243	40.3
191.05571	42.2
207.10268	81.0
208.10631	69.1
232.67058	21.5
300.09387	19.5
339.32660	19.7
351.14441	30.7
352.14816	60.0
358.25668	20.6
364.02121	20.4
370.15723	32.3
381.15640	36.7
382.16037	50.9
438.84003	20.6
532.18506	46.9
592.27753	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01380	8.8
61.98828	71.2
62.82066	1.1
69.59945	4.1
71.01387	9.5
72.99303	2.0
75.00872	8.6
78.95901	11.4
80.63766	1.3
85.02949	12.7
87.00859	2.6
89.02443	3.7
95.01364	3.2
96.96010	24.2
96.96947	1.5
99.00874	5.9
113.02451	15.0
116.92895	6.1
119.94696	2.6
127.20689	1.4
152.99594	4.4
194.93698	2.9
249.06117	2.0
255.23305	4.0
263.59448	1.3
267.07242	1.6
268.97415	4.8
279.23285	44.9
280.23441	1.8
304.08267	1.3
365.93356	1.2
437.90079	1.3
507.27277	2.3
510.23428	1.9
529.30170	100.0
530.30298	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
60.01712	0.3
61.98828	100.0
70.61651	0.4
71.01379	0.8
73.02954	0.3
85.02955	0.4
87.00910	0.3
89.02461	0.2
93.03493	0.3
101.02456	0.8
111.00938	0.2
112.84489	0.2
113.02472	0.4
131.76456	0.2
138.01967	0.5
138.05659	0.6
139.03993	0.3
161.04536	0.2
169.76990	0.2
191.05643	0.7
191.55498	0.2
201.11517	0.3
219.84569	0.2
244.10886	0.2
274.86438	0.3
323.38547	0.2
372.30032	0.3
392.23157	0.2
394.44836	0.2
478.23764	0.3
484.76865	0.2
488.22849	0.4
488.33530	0.8
501.26883	0.3
535.19501	0.2
548.32428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25163	0.4
61.98830	100.0
69.19391	2.0
73.14394	0.4
95.67453	0.3
107.82202	0.4
120.32738	0.4
141.13875	0.4
164.81566	0.4
229.86911	0.4
593.27179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98838	0.9
63.89592	0.2
66.01097	0.2
70.79065	0.2
76.03187	0.2
77.03956	0.3
82.95421	0.5
91.01857	0.2
92.74400	0.2
93.03401	0.2
120.02161	3.2
121.02951	100.0
122.03300	0.7
165.01924	4.4
165.03265	0.1
180.05771	0.6
181.06578	2.7
190.19582	0.2
197.06079	1.9
199.07591	0.2
207.04491	0.9
207.08217	0.3
209.04533	55.6
210.04803	0.9
216.30898	0.2
223.04004	0.3
225.05556	1.9
251.07060	0.4
257.09695	0.6
285.09146	0.2
301.08673	0.4
313.07077	1.6
329.08069	0.5
339.08481	0.2
357.06168	1.1
372.09470	0.2
373.10736	0.4
383.07596	1.4
401.08572	0.3
417.09738	1.5
454.87399	0.2
465.26660	0.2
505.11398	2.8
549.10406	6.6
550.10498	0.3
558.05389	0.2
593.12976	14.0
594.13318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76180	0.4
59.01372	0.9
63.02422	0.7
65.00340	0.8
69.33468	2.4
83.01388	0.5
93.03466	0.6
97.77692	0.5
107.01404	1.9
113.58540	0.6
125.19801	0.5
135.00903	1.2
149.07062	0.5
151.00395	3.5
158.00279	0.6
159.04422	0.6
163.00363	1.0
171.04477	0.5
183.04518	1.0
185.06030	1.3
187.04015	0.9
188.90585	0.5
197.51357	0.5
199.03998	0.7
200.04832	0.6
203.91896	0.5
211.04073	1.8
213.05673	1.3
227.03499	35.0
228.04092	0.9
229.05019	3.6
239.03416	1.0
248.59286	0.5
255.02986	64.6
256.03726	5.3
257.04578	3.0
267.02908	0.7
269.63266	0.5
283.02469	1.0
284.03265	87.7
285.04016	32.2
286.04355	0.9
327.05154	1.5
593.15106	100.0
594.15643	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	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17475	0.6
58.44442	0.6
58.83142	0.5
65.00321	1.1
69.39001	2.8
86.36093	0.6
93.03438	0.9
98.21873	0.9
107.01379	2.1
109.02905	0.7
132.02031	0.6
135.00885	1.1
140.73251	0.5
141.25000	0.6
151.00345	2.5
159.04579	0.8
163.00346	1.8
164.01195	0.6
167.05008	0.9
169.06551	0.7
171.04576	0.7
173.72801	0.6
185.06075	1.9
187.03961	2.3
189.05618	0.8
197.06042	0.7
199.04047	0.6
211.03967	1.6
213.05574	1.4
227.03477	26.9
228.04022	0.9
228.91438	0.7
229.05025	9.7
239.03439	0.9
241.04980	1.3
255.02960	41.7
256.03607	2.9
257.04553	4.6
267.02878	0.8
283.98615	0.9
284.03235	51.3
285.04007	71.5
286.04297	2.2
327.04947	1.2
593.15070	100.0
594.15393	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	593.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
61.98804	1.6
62.01588	0.7
68.99805	3.2
69.03434	0.8
69.36762	2.0
69.37164	1.9
71.01359	3.4
71.37532	0.8
73.02953	1.2
74.92460	0.7
81.03412	0.8
83.01389	5.6
83.05023	2.0
85.02939	1.0
88.98846	1.1
89.02432	1.6
95.05017	1.5
97.02938	3.3
98.21864	1.6
101.02448	2.4
101.03967	1.0
106.04242	0.9
107.01363	0.9
107.05032	0.8
109.02978	1.2
111.04520	2.3
113.02425	1.9
121.02917	1.5
121.72336	0.8
122.03757	0.9
123.04491	1.7
134.03748	1.1
135.04503	2.3
136.01636	0.9
137.02390	2.4
137.06140	1.3
138.03186	1.3
139.04013	6.0
145.06599	3.1
147.04498	4.4
149.02446	1.0
149.06090	1.7
150.03204	3.6
151.04007	1.8
152.04643	0.9
153.05579	2.7
161.02371	1.5
163.04063	1.7
167.07126	1.1
171.04497	13.6
173.06026	1.0
175.04025	0.9
177.01938	1.1
178.02649	3.8
179.03625	1.0
179.07137	1.1
181.05040	2.7
183.08112	3.3
185.06091	1.2
187.07738	1.0
189.05560	1.1
197.09731	2.2
205.05043	1.0
209.06097	1.6
209.09724	1.0
211.07623	2.7
213.05571	1.1
225.09236	4.7
227.07092	3.3
227.10661	1.9
233.04451	0.9
237.09055	1.0
239.07187	1.1
239.10698	3.3
241.08630	1.1
243.10207	1.5
253.05240	0.9
253.08661	0.8
255.06601	4.2
263.10669	2.2
265.08612	1.1
267.10199	1.7
269.08109	1.1
281.08124	3.5
281.11099	1.0
282.09058	2.6
291.10190	1.9
309.11307	2.6
310.08350	2.0
311.09323	1.9
339.08688	3.4
353.10443	5.2
369.08234	1.6
385.53284	0.8
387.14297	1.0
388.14655	0.9
390.57834	0.8
413.12332	2.5
431.13519	1.4
473.14511	91.3
474.14938	4.5
503.15384	4.4
593.18744	100.0
594.19006	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	593.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
59.01379	3.4
61.98833	1.3
69.11131	0.5
69.11541	0.4
71.01381	1.7
73.02932	0.5
74.99120	0.2
83.01398	0.2
85.02943	0.4
85.65539	0.1
87.00874	0.2
89.02448	0.8
95.05029	0.5
101.02439	0.6
113.02473	0.4
119.65907	0.1
121.65856	0.2
135.04498	0.2
136.05301	10.8
137.05670	0.2
139.03935	0.2
151.03978	0.3
156.05865	0.2
161.04601	1.1
171.08133	0.6
175.03857	0.3
179.05670	0.3
181.10182	0.4
183.11780	0.8
225.09212	2.4
226.09573	2.2
227.10776	100.0
228.11125	3.5
241.12469	0.4
251.10760	1.4
269.11749	0.4
281.11819	0.4
311.12964	0.2
359.14850	0.4
371.15002	7.9
372.15369	0.3
387.14209	0.4
388.14752	0.8
389.16046	1.1
431.17245	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	593.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
56.74605	0.7
57.03451	5.0
57.54029	0.8
59.01377	55.9
60.01703	1.2
61.98829	6.5
66.02746	0.8
68.60898	0.8
69.03437	1.6
71.01376	30.7
71.42883	1.1
72.99286	1.1
73.02962	6.4
83.01387	3.0
83.05023	2.2
84.95145	0.9
85.02950	8.8
87.00871	4.9
88.98803	4.1
89.02444	31.6
93.03447	3.1
95.01379	1.4
95.05021	1.1
96.96030	1.7
97.02958	1.2
97.06622	1.1
99.00826	1.2
101.02438	21.8
107.01389	3.2
107.05038	4.3
108.02164	1.5
109.02957	1.2
113.02445	11.8
115.03990	0.9
116.92860	1.3
117.03513	1.1
119.03520	11.6
120.05795	1.9
121.02924	1.1
123.04530	0.9
128.90201	4.9
128.91066	0.8
131.03479	2.2
135.00867	1.0
135.04541	1.8
143.03455	2.1
147.08170	0.8
149.04541	1.4
151.00343	3.3
157.06544	1.6
159.04451	1.1
160.03275	0.8
161.04575	3.3
161.09731	8.8
161.13373	2.3
163.00380	2.3
163.06139	3.8
163.11311	4.4
173.04492	2.4
177.09180	1.0
179.03543	0.8
179.05589	6.1
179.10770	1.3
181.07190	9.3
183.04631	1.0
185.06029	2.5
187.03969	2.9
187.11290	9.6
189.05550	1.7
189.09201	4.1
191.05650	3.6
195.52310	0.8
197.06047	1.8
199.04068	1.1
205.12306	3.7
207.10236	3.7
211.04013	3.1
213.05630	2.7
223.13359	1.1
227.03488	38.6
228.03856	1.7
229.05054	11.4
239.03516	2.1
241.04956	2.1
249.11302	3.2
255.02983	69.0
256.03485	5.1
257.04507	5.4
267.02875	1.2
283.02463	11.5
283.10391	5.3
284.03268	73.6
285.04034	77.3
286.04242	1.9
287.09293	2.5
299.29224	1.0
325.11273	1.8
327.05118	1.8
343.12390	13.5
435.54855	0.9
533.25647	3.3
557.30261	1.2
575.23120	1.5
593.14990	100.0
593.24518	98.3
594.15253	5.6
594.24829	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	593.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.8
60.31780	0.7
60.99294	1.4
61.98815	2.4
67.01871	0.9
67.36765	0.6
71.01083	0.6
71.01381	7.7
71.43638	0.7
72.99282	0.7
73.02934	2.2
75.00864	0.8
77.68737	0.7
83.01385	1.5
83.05051	0.7
85.02952	3.4
87.00854	2.3
88.98802	9.3
89.02418	2.5
89.51263	0.6
91.01887	1.0
93.03454	3.3
96.95991	0.9
99.00848	0.9
101.02414	4.2
107.04999	1.0
111.04480	0.7
113.02443	3.2
115.03995	0.7
119.01400	3.5
119.03486	1.4
119.05004	1.3
121.02976	3.5
123.08118	1.3
134.03737	1.5
134.38980	0.7
135.04553	4.2
139.03983	3.4
147.00856	5.8
149.02420	8.6
150.03117	0.8
151.03995	1.2
152.01118	0.6
161.04594	1.0
162.03122	0.8
163.04024	3.2
163.11275	0.9
164.04787	8.0
165.01897	0.9
165.05479	0.8
173.04515	3.2
175.00357	26.1
176.00838	0.8
177.01836	1.0
179.03436	1.1
179.07077	1.7
181.05008	2.0
189.12836	1.9
190.02711	68.8
191.03093	1.5
191.05579	6.4
193.53098	0.7
205.05045	69.2
206.05264	1.3
207.06519	0.9
208.03674	1.2
209.04471	1.8
223.06075	8.6
284.03256	0.9
356.08786	1.0
357.22986	0.7
371.11185	3.3
371.24207	0.7
424.76770	0.7
479.24780	2.7
533.30090	0.9
563.21332	1.2
578.23438	1.8
593.25745	100.0
594.26337	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90813	0.7
59.01376	1.5
61.98811	1.7
63.30986	0.7
71.01400	0.7
78.95900	64.5
96.96960	12.5
113.30888	0.7
135.27399	0.8
152.99582	93.5
155.35750	0.7
171.00648	3.6
223.00102	10.0
229.24922	1.0
241.01176	24.4
259.02219	1.2
277.21710	49.1
278.22134	1.5
315.04831	14.0
333.05585	1.0
426.66727	0.8
581.58850	0.9
593.27313	100.0
594.27472	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03435	0.7
58.00571	0.8
58.54107	0.5
59.01377	100.0
61.98831	0.7
62.00715	0.6
71.01380	43.4
71.05025	0.6
71.42561	0.6
72.99322	1.3
73.02966	1.8
81.03481	0.6
83.01406	1.3
84.15087	0.5
85.02953	6.7
87.00884	3.1
88.38132	0.6
88.98814	2.3
89.02442	64.9
90.66237	0.6
93.03490	1.3
95.01416	2.4
96.95989	3.9
98.95579	0.8
99.00866	1.0
101.02440	23.2
109.02894	0.9
113.02447	18.5
115.92049	1.3
116.92890	2.4
119.03501	25.3
121.02983	2.1
125.02461	0.9
129.40205	0.6
131.03517	3.1
139.04039	1.1
143.03491	7.4
149.04556	2.8
159.03027	0.7
161.04567	8.1
165.05577	1.3
167.09204	0.6
179.05602	32.6
191.05679	2.0
193.05104	1.3
212.97810	0.6
251.50658	0.6
283.02521	0.8
285.04102	1.2
308.69977	0.6
353.19995	0.7
533.25751	5.0
550.26379	1.9
551.27411	1.7
593.14850	0.8
593.26086	0.7
594.12347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
103.01495	79.7
106.48009	2.2
116.00417	1.9
136.42886	2.0
280.20770	2.0
285.59637	2.2
323.35574	2.3
346.54013	2.1
362.94510	2.0
375.47696	2.1
396.21613	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	593.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.58085	5.4
81.46579	1.6
98.21859	3.0
103.01492	88.1
114.27017	1.5
165.54642	1.7
285.25702	1.6
319.14130	1.7
613.21704	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	593.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26032	0.6
52.61749	0.8
59.01375	7.2
61.98827	1.0
68.55326	0.7
70.46766	1.2
71.01373	2.4
75.00872	18.8
77.03968	2.0
78.95914	0.9
89.02448	2.7
89.03972	1.1
91.04005	8.5
95.05012	3.4
103.38848	0.8
105.03456	12.1
107.05000	0.8
118.35381	0.8
123.04565	1.2
132.02184	5.0
133.02948	51.0
134.03738	14.7
135.04514	5.6
137.02402	1.6
139.04004	0.9
147.04507	1.0
148.05295	3.6
149.06041	1.6
160.01643	32.7
161.02448	20.2
161.06100	2.8
162.03217	1.7
175.03995	71.6
176.04384	1.1
177.01883	2.5
178.02711	2.7
179.03503	3.9
193.05035	7.5
225.33374	0.8
233.07980	1.0
247.09830	2.1
275.12894	1.0
279.26807	1.1
289.14667	1.2
317.17526	1.4
325.27567	1.2
331.19086	1.2
343.28641	10.0
345.20602	2.1
359.22348	1.9
373.23764	1.4
387.25470	2.9
414.27719	1.2
417.26672	3.7
443.31836	2.3
486.29846	13.5
487.30756	7.2
501.32202	100.0
502.32465	6.0
519.33258	24.9
520.33295	1.9
578.34491	2.0
593.36920	68.1
594.37238	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	593.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34219	0.9
55.71326	0.8
57.03434	2.3
59.37558	1.1
61.96796	0.9
61.98801	1.3
62.92899	0.9
69.03449	8.7
69.12940	5.8
69.43950	1.2
71.01371	1.3
71.05022	1.8
78.95885	1.4
97.06573	1.3
113.09718	1.3
123.08178	2.4
125.09690	2.8
129.74037	1.0
132.31871	1.0
137.62407	0.9
138.18799	0.8
151.11314	4.7
153.12808	1.5
161.09708	7.6
165.13550	1.0
179.10756	23.7
195.13873	12.1
197.11819	73.1
198.12154	1.4
223.09718	3.2
241.10808	8.7
249.69446	1.1
267.02313	1.1
277.21680	8.8
295.22791	38.4
297.13412	3.9
315.14450	13.4
566.12140	1.2
575.07709	1.0
593.36938	100.0
594.37097	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	593.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05222	1.5
59.01377	85.3
61.98821	4.4
64.62640	1.4
70.95411	1.9
74.25074	1.5
78.95898	2.4
89.02393	2.2
91.03990	5.0
95.05022	2.0
105.03474	10.9
117.22221	1.4
132.02161	2.0
133.02957	53.6
134.03770	12.1
135.04539	5.1
137.02426	3.4
144.54901	1.4
148.05302	3.9
160.01654	17.9
161.02449	12.7
161.06036	3.6
162.03189	2.3
175.04001	28.2
175.45114	1.4
177.01912	5.3
178.02689	7.8
193.05055	2.5
233.08244	2.2
247.09761	3.5
289.14487	2.4
303.15994	2.3
317.17642	2.6
331.19550	1.6
345.20731	4.6
359.22229	3.3
373.23837	5.2
387.25488	2.1
393.96594	1.5
401.26904	2.0
415.32407	3.9
439.28122	2.1
442.30875	11.0
443.31824	3.0
444.28592	12.8
445.29349	8.4
457.33237	18.8
459.31128	100.0
460.31549	5.7
468.28568	2.3
469.29480	4.6
483.31128	54.1
484.31577	3.5
501.32104	10.4
519.33179	24.0
549.43164	3.8
575.35815	58.4
576.36273	3.7
593.36871	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84263	0.8
57.37007	1.0
59.01377	72.9
61.98832	1.5
69.28090	1.6
69.28502	3.2
78.95911	2.7
89.02442	1.9
91.04000	4.5
95.04996	1.4
98.22662	1.9
105.03449	10.7
119.94725	1.1
132.02151	3.1
133.02951	44.7
134.03746	9.6
135.04507	3.7
137.02460	2.3
139.04037	1.0
147.04488	1.1
148.05298	3.8
149.02388	1.3
149.06029	1.2
152.99631	1.1
160.00415	1.3
160.01662	15.4
161.02513	8.3
161.06059	3.7
162.03166	2.4
175.03990	27.2
177.01921	3.9
178.02753	4.7
179.03491	2.1
193.05000	3.2
195.91467	0.9
204.11435	1.2
247.09785	2.2
260.17694	1.0
261.11307	1.7
265.92191	0.9
275.12857	2.2
289.14246	2.3
293.17630	1.3
303.16058	2.0
317.17661	1.9
331.19226	1.9
343.28723	1.1
345.20618	3.4
345.24512	1.0
359.22342	3.2
373.23831	4.9
387.25320	2.8
401.26740	1.3
415.27679	1.9
415.32300	4.1
439.27570	1.3
439.32669	1.7
442.30847	8.5
443.31458	1.9
444.28802	11.2
445.29672	5.0
457.33249	17.2
459.31131	100.0
460.31387	4.0
469.29486	4.0
483.31155	53.3
484.31146	1.9
501.32062	10.6
519.33282	23.9
520.33636	1.3
575.35828	54.1
576.36108	3.5
593.36926	56.4
594.37543	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	594.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46265	1.1
57.03436	1.7
58.02977	5.6
60.62584	1.0
63.98446	1.0
70.44861	2.0
72.33566	1.0
74.02470	9.2
83.01353	2.0
83.55595	1.0
84.38263	1.0
86.02463	5.1
87.05663	1.8
93.03441	1.1
94.54756	1.1
96.55470	1.1
96.86134	1.1
97.04079	1.6
99.05643	11.0
102.23993	1.1
109.04056	1.4
111.05621	1.5
121.02948	7.2
124.03987	1.2
125.02435	26.7
128.03542	32.3
135.05594	1.8
137.02441	6.1
141.00137	11.1
143.04608	41.6
145.06081	1.2
146.04581	3.9
149.02434	6.2
153.00121	2.0
155.01651	1.5
155.94344	1.2
161.02412	6.4
164.01224	2.2
165.01918	3.5
166.09814	2.4
167.01631	1.1
167.03340	1.4
167.04613	2.0
173.06087	1.3
179.03282	2.5
179.04735	7.6
180.99646	1.7
183.01213	11.6
185.05739	1.8
191.05542	6.3
200.04739	1.6
201.05544	1.6
210.08797	8.3
225.05573	1.1
227.07175	7.1
237.02328	1.6
238.03929	1.1
239.05531	2.4
243.06586	2.6
252.25171	1.3
254.07803	13.2
272.08856	100.0
273.09354	1.5
277.05234	2.2
287.05545	2.0
306.07626	7.8
321.04355	45.3
329.14529	1.3
456.10675	7.8
594.13849	9.2
595.16437	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	594.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52085	1.0
54.14474	0.9
57.03452	5.4
58.02968	1.7
71.42946	1.1
74.02463	4.1
77.97375	1.0
81.03448	2.2
83.01398	2.4
86.02464	1.3
93.03439	1.1
93.70949	0.9
95.05004	2.1
97.02948	2.3
99.04516	3.5
99.05633	2.3
109.02929	1.7
110.99094	0.9
121.02944	4.0
123.04536	2.1
123.05537	0.9
125.00610	2.4
125.02448	27.9
126.02711	1.1
127.02274	1.0
128.03543	10.1
137.01428	1.7
137.02441	22.7
139.03967	4.4
139.99385	1.8
141.00171	12.6
143.04645	14.6
149.02448	6.8
151.04024	1.7
153.00180	7.7
154.00998	1.3
155.01674	2.0
159.04393	1.4
161.02419	4.3
164.01183	2.3
165.00150	18.7
165.01894	2.9
167.03497	11.6
177.00203	1.9
177.01826	1.3
179.03448	3.6
179.04765	1.4
179.98863	1.8
180.99640	13.7
182.99663	1.2
183.01216	17.9
191.05621	8.6
193.03329	1.9
195.01221	1.1
200.04875	1.0
201.05621	2.4
210.08754	2.3
219.01199	1.3
235.04259	2.9
236.12889	1.2
243.06505	1.9
253.05338	1.4
254.07822	4.3
269.04507	2.2
272.08875	33.3
273.17334	1.0
277.05368	2.8
279.03336	1.1
285.86652	0.9
303.03244	4.9
306.07648	2.3
321.04370	100.0
322.04514	1.4
383.93530	1.0
456.10818	1.4
462.88821	1.0
594.13995	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	594.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
58.02972	6.2
62.78816	0.7
69.03439	0.7
71.09037	1.0
74.02470	10.8
81.03442	0.8
81.04545	0.9
83.01374	2.1
86.02475	5.0
87.05613	2.0
93.03431	1.5
96.25892	0.9
96.95963	1.1
97.02879	1.0
99.05636	10.4
101.07196	1.2
102.05594	1.7
109.04147	0.8
109.07629	1.2
112.04024	1.2
121.02961	2.8
123.05671	0.9
125.02440	36.4
126.02773	1.3
127.05112	1.1
128.03531	33.6
131.04626	0.9
133.02945	1.0
134.03696	2.0
135.05623	2.0
137.02425	6.2
137.07268	1.1
139.99313	1.5
141.00165	11.7
141.06689	1.7
141.53984	0.7
143.04614	41.0
145.06183	1.8
146.04596	3.5
149.02463	6.8
149.05975	0.9
150.03156	2.3
151.03979	1.2
153.00130	3.3
153.06699	1.5
155.01689	1.7
160.01596	0.9
161.02441	8.6
164.01143	3.5
165.01871	3.8
165.05534	1.0
166.09845	1.9
167.04645	1.9
173.06084	1.0
178.02646	1.2
179.03343	1.8
179.04616	7.5
180.99663	1.2
181.06125	1.7
182.64220	0.7
183.01189	11.0
185.05643	1.0
187.03946	0.8
191.05563	1.3
192.07500	1.1
193.04926	4.2
194.05406	1.7
195.01166	1.0
195.06606	1.1
197.05927	1.2
200.04745	1.3
201.05588	2.6
203.03680	0.8
210.08865	8.7
215.07149	1.2
225.05325	1.0
235.04311	1.6
237.02251	2.5
243.06572	3.3
254.07800	13.3
272.08856	100.0
273.09116	1.3
277.05331	3.5
287.05615	1.3
288.06281	1.0
321.04355	44.7
322.04593	1.5
353.08347	1.0
390.05588	0.8
449.35886	0.8
456.10733	7.7
530.33447	0.9
594.14001	14.6
596.79645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33356	0.3
55.40112	0.3
61.98829	32.4
63.36967	0.3
65.00323	0.4
69.55347	1.1
91.01963	0.3
91.02628	0.3
91.96651	0.3
114.91677	0.3
117.03426	0.5
117.49774	0.4
143.05043	2.1
144.04564	0.7
146.06107	0.7
146.08241	1.2
167.05017	6.5
169.06598	1.4
180.05783	2.8
181.06580	3.0
183.04538	2.4
185.06033	1.0
197.05986	2.2
207.04514	0.5
208.05292	3.7
209.06062	14.5
210.06317	0.5
211.03984	2.3
217.11884	0.4
224.04802	0.8
225.05566	6.6
227.07123	2.7
252.04352	1.1
253.05043	100.0
254.05363	2.8
271.06097	6.3
277.12289	1.7
314.98508	0.3
330.08023	1.2
369.94995	0.3
401.11618	1.5
415.89261	0.3
454.16431	0.3
531.18030	14.3
532.18378	0.8
545.20520	0.3
576.24420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98828	13.0
69.09075	2.8
70.59261	0.4
71.01380	1.1
85.02928	0.5
101.02448	0.8
113.02516	0.6
117.69795	0.4
136.05287	6.9
144.80522	0.5
159.72600	0.4
161.04556	3.6
183.11861	0.4
207.10239	0.4
227.10770	100.0
228.11093	2.8
360.18478	0.5
371.15823	0.5
389.16043	23.7
390.16348	0.8
433.15140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16338	0.4
59.01374	15.0
61.98819	0.5
69.50584	0.9
69.50959	1.1
71.01367	1.4
78.33569	0.5
86.67064	0.4
89.02436	1.0
96.95979	0.9
98.22675	0.7
100.92079	0.4
101.02432	0.5
111.42872	0.5
113.02402	0.6
117.50570	0.5
119.04990	0.5
121.02946	1.0
122.03733	1.4
123.00866	3.3
124.01657	1.2
125.02430	1.5
135.56715	0.4
136.05351	0.7
137.02426	1.7
139.04027	0.5
140.10300	0.5
149.02417	7.0
150.03214	5.0
151.03979	1.6
164.04669	0.5
165.05594	0.6
169.08629	0.8
173.04512	1.0
174.05531	0.5
187.03873	0.5
190.05125	1.0
191.05542	0.6
213.07626	1.0
271.09692	0.5
305.83139	0.5
328.18991	0.5
355.08099	1.0
372.18118	100.0
373.18469	3.4
385.09079	0.9
551.27155	0.9
592.89752	0.5
595.16644	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	595.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.5
60.99020	1.2
60.99304	17.5
61.98811	3.3
67.01897	1.2
69.03458	1.0
71.01382	1.6
75.94093	0.8
77.43645	0.8
83.05070	0.9
85.02960	1.7
87.00876	4.0
88.98804	100.0
93.03454	10.6
106.04214	1.9
111.04498	1.4
113.02441	1.7
139.04071	1.1
173.04565	13.3
173.06026	1.5
177.09192	1.1
187.07671	2.3
191.05626	10.5
215.07140	2.6
229.08578	1.0
231.10229	1.3
255.57288	0.9
257.11841	11.5
271.13339	2.6
272.13437	0.9
335.10181	0.9
478.74234	0.9
482.00140	1.0
509.06815	1.9
545.20197	1.2
577.23010	12.7
595.23755	1.8
595.31915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1669
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.99690	1.5
71.01409	2.3
77.37313	1.6
79.01873	1.9
81.03474	2.4
83.01408	4.3
87.00898	3.0
93.03454	16.4
97.02982	4.5
98.22652	4.4
107.01444	5.9
109.02997	4.2
111.04550	4.9
113.02507	1.6
114.01964	2.2
119.05025	36.3
121.02989	5.8
123.00922	2.3
123.04538	2.6
125.02437	9.8
131.04671	5.9
135.04562	2.2
137.02483	5.8
139.04082	7.0
143.05019	7.7
145.03032	5.0
146.06203	3.1
147.04628	3.4
149.02498	4.5
151.00378	3.4
151.03990	2.1
159.04503	3.5
161.02446	2.3
161.06236	2.7
163.00418	3.7
163.04111	4.0
165.02034	4.6
165.05646	3.7
167.03450	9.7
170.19460	1.6
173.04637	4.2
177.02022	6.6
177.05623	3.0
179.03526	3.0
185.02452	9.2
187.04062	8.5
191.03636	4.4
191.05618	32.6
193.01421	8.6
193.05133	2.9
197.04611	3.4
203.03624	5.3
205.01363	9.5
207.03058	4.3
209.04701	4.2
219.03024	2.3
227.07346	3.0
235.02495	15.1
247.02594	3.7
261.04224	2.3
265.03683	5.1
265.08688	2.5
271.06262	4.5
283.06363	2.4
313.07166	18.8
325.07065	7.7
343.08276	7.5
355.08203	85.6
356.08905	2.5
367.08368	4.6
369.09933	1.7
385.09286	72.9
397.09396	7.7
406.22778	2.3
415.10229	20.9
439.10797	2.4
457.11792	6.8
461.02286	1.8
475.12424	43.3
476.13040	1.8
487.12589	4.0
505.13388	9.3
577.15619	3.8
595.16919	100.0
596.17249	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	595.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99690	1.5
71.01409	2.3
77.37313	1.6
79.01873	1.9
81.03474	2.4
83.01408	4.3
87.00898	3.0
93.03454	16.4
97.02982	4.5
98.22652	4.4
107.01444	5.9
109.02997	4.2
111.04550	4.9
113.02507	1.6
114.01964	2.2
119.05025	36.3
121.02989	5.8
123.00922	2.3
123.04538	2.6
125.02437	9.8
131.04671	5.9
135.04562	2.2
137.02483	5.8
139.04082	7.0
143.05019	7.7
145.03032	5.0
146.06203	3.1
147.04628	3.4
149.02498	4.5
151.00378	3.4
151.03990	2.1
159.04503	3.5
161.02446	2.3
161.06236	2.7
163.00418	3.7
163.04111	4.0
165.02034	4.6
165.05646	3.7
167.03450	9.7
170.19460	1.6
173.04637	4.2
177.02022	6.6
177.05623	3.0
179.03526	3.0
185.02452	9.2
187.04062	8.5
191.03636	4.4
191.05618	32.6
193.01421	8.6
193.05133	2.9
197.04611	3.4
203.03624	5.3
205.01363	9.5
207.03058	4.3
209.04701	4.2
219.03024	2.3
227.07346	3.0
235.02495	15.1
247.02594	3.7
261.04224	2.3
265.03683	5.1
265.08688	2.5
271.06262	4.5
283.06363	2.4
313.07166	18.8
325.07065	7.7
343.08276	7.5
355.08203	85.6
356.08905	2.5
367.08368	4.6
369.09933	1.7
385.09286	72.9
397.09396	7.7
406.22778	2.3
415.10229	20.9
439.10797	2.4
457.11792	6.8
461.02286	1.8
475.12424	43.3
476.13040	1.8
487.12589	4.0
505.13388	9.3
577.15619	3.8
595.16919	100.0
596.17249	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	595.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
59.01075	3.3
59.01376	66.1
61.98829	56.1
68.07737	2.2
69.59696	7.1
71.01020	2.3
71.01380	30.6
72.99313	3.1
73.02921	3.2
73.16227	2.0
75.00474	3.6
75.00871	46.1
83.01367	4.2
85.02956	10.8
87.00912	3.5
88.12367	1.8
89.02446	28.8
95.01402	3.8
101.02451	14.1
113.02447	11.0
119.03487	7.5
119.05022	2.7
126.04963	2.1
128.03459	2.1
128.20033	2.1
134.03725	2.1
136.01675	2.3
138.03235	3.2
139.00368	1.9
140.17482	1.8
142.10512	1.8
147.04579	2.8
149.06061	2.2
151.00349	5.9
151.03969	4.2
153.01932	3.7
153.05472	2.3
154.61258	1.8
155.03453	1.9
158.03700	3.1
159.04478	3.8
160.05246	5.9
161.04498	3.3
166.02687	15.0
173.04587	2.8
173.06067	5.1
174.03185	3.1
175.03960	6.1
175.07588	3.8
175.14973	1.7
179.05605	5.3
181.05061	27.3
190.06355	6.3
191.05591	4.7
202.02681	2.3
203.03445	8.4
205.05193	2.1
205.08675	8.0
217.04958	4.5
218.05833	9.5
220.07414	2.5
225.09109	3.4
227.10826	5.0
228.11032	3.3
233.08176	15.8
235.09662	6.3
253.08723	2.5
253.12207	4.7
254.09404	2.6
256.07559	4.6
271.09744	6.6
325.03638	3.5
339.08600	3.6
354.10895	2.7
355.08200	7.2
361.66306	2.3
370.10516	5.5
385.08240	3.4
385.12875	31.5
397.12866	3.9
415.13968	17.3
433.14969	3.0
475.16040	5.2
528.40570	2.0
595.20245	100.0
595.28998	4.4
596.21295	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	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82494	0.7
54.66740	0.8
57.03471	0.8
59.01378	39.7
61.98827	5.5
62.29049	0.8
71.01010	1.6
71.01381	19.5
72.99311	1.3
73.02965	1.1
83.01375	1.5
85.02937	5.1
87.00862	0.8
89.02448	14.3
89.99790	0.7
93.03454	1.0
95.01371	1.9
96.96024	1.0
97.02943	1.2
99.00859	1.1
101.02448	11.0
111.00886	0.9
113.02448	6.1
116.92826	1.3
117.03479	0.8
119.03484	4.5
119.05041	1.1
123.00877	2.2
129.60696	0.9
137.02435	1.7
138.03200	1.8
139.00360	3.3
139.04027	1.5
147.04501	1.7
149.04546	0.9
151.00380	7.4
153.01915	3.4
153.05582	1.8
158.03697	1.8
159.04506	2.8
160.05281	1.7
161.02477	1.5
161.04500	1.2
166.02716	20.1
167.03200	0.9
173.06044	1.7
174.03140	2.2
175.03963	4.4
175.07607	2.9
181.05069	31.3
187.04021	1.3
189.05646	1.1
190.06331	2.3
191.05557	1.4
195.82925	0.8
201.01849	1.1
202.02716	1.6
203.03476	11.4
204.04175	1.0
205.08742	2.3
217.05078	1.5
218.05823	15.6
219.06540	1.3
233.05925	1.6
233.08189	24.2
271.09744	1.3
309.03979	0.9
323.05664	1.7
333.38303	0.9
335.09213	1.1
338.07962	1.5
339.08588	4.2
354.10931	1.6
355.08221	6.7
370.10434	3.5
371.10907	1.1
373.12766	1.4
385.12970	17.4
397.12915	4.9
415.14005	13.6
445.13574	2.1
483.78091	0.9
535.20258	1.0
535.27679	3.4
595.20282	100.0
596.20795	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	33.9
61.27630	0.5
61.98855	0.4
64.34005	0.5
68.33638	0.5
71.01374	6.1
73.02947	2.0
78.57658	0.5
82.57881	0.5
85.02944	2.1
89.02438	3.6
93.03403	0.7
97.02934	0.9
101.02460	3.2
113.02459	1.4
119.98009	0.5
121.02962	1.9
122.03757	1.0
131.03519	0.8
134.03737	1.6
149.02438	1.7
150.03210	6.9
159.03024	0.7
161.02460	1.0
161.04562	1.6
162.03220	69.5
163.03546	0.9
165.05577	8.9
177.05569	100.0
178.05910	0.6
180.04295	0.6
191.05634	1.1
194.77283	0.4
195.06624	6.7
256.07199	0.6
271.09738	1.2
278.05835	0.9
281.08325	0.6
310.08530	1.0
325.10757	5.5
331.17465	0.8
355.11844	1.6
373.13062	2.3
397.15039	0.7
445.20972	0.7
463.21869	8.4
595.26123	5.6
596.27094	0.8
597.64191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09094	0.4
52.68854	0.4
54.37946	0.5
57.03453	0.8
59.01383	6.6
60.09798	0.4
61.98838	1.6
68.99821	0.6
69.03468	2.0
69.71947	1.2
69.72279	0.5
71.01380	4.2
72.99295	0.5
73.02953	0.8
80.02708	0.7
81.03455	5.0
83.01386	4.1
83.05021	3.7
85.02972	1.3
89.02472	1.3
91.05589	0.8
93.03487	1.4
95.01418	1.4
95.05023	5.9
97.02953	5.5
99.04559	1.0
101.02466	3.4
107.05041	1.7
108.02200	0.5
109.02938	3.1
109.06617	1.4
111.04523	3.1
113.02465	1.6
113.06152	0.6
119.03509	1.0
119.05055	1.3
121.03012	2.3
121.06606	1.6
122.03759	1.8
123.04517	2.7
124.01683	0.8
125.02429	3.6
125.06118	1.1
131.05042	2.1
133.06615	1.8
135.04533	5.0
135.08167	0.8
136.05356	0.9
137.02480	2.9
137.06081	6.2
138.03154	0.7
139.04018	7.3
145.06570	1.0
147.08188	1.6
149.06079	8.1
151.03995	3.0
151.07652	2.9
152.04730	1.2
153.05629	1.9
157.06589	1.1
161.02541	0.5
161.06042	3.8
163.04036	1.6
163.07687	0.9
165.09229	4.6
166.02786	1.0
167.07178	1.3
169.06578	0.6
171.08147	0.8
173.06073	12.9
173.07515	0.8
174.06633	0.5
175.03987	0.5
175.07668	0.8
177.05630	0.9
178.06444	0.7
179.03571	1.5
179.07124	5.7
180.04286	6.3
181.05046	3.2
183.06625	0.7
183.08174	1.0
185.09799	1.0
189.05544	0.7
189.09138	0.6
191.05595	0.6
191.07181	1.1
193.05087	1.4
195.06583	0.5
203.07118	0.6
205.05049	0.7
213.09227	3.7
215.07149	0.6
223.06180	2.4
225.09264	0.9
227.07138	0.8
227.10806	2.2
229.08664	2.9
239.10779	0.9
241.12263	1.1
254.09494	0.6
255.06502	2.3
257.08154	4.2
265.08469	0.5
265.12411	1.2
267.10272	2.7
269.08304	0.7
269.11789	0.9
270.09192	0.6
271.09784	1.4
271.13394	4.2
283.09811	2.4
283.13403	1.1
284.10452	2.5
293.11890	1.8
301.09302	1.4
311.12827	2.7
312.10117	1.0
313.11246	0.6
337.10898	0.7
343.10318	12.0
355.11743	2.3
373.11270	1.6
433.19144	0.7
445.14844	1.2
475.16080	95.1
476.16196	3.1
505.17084	3.4
557.24463	0.5
595.20300	100.0
596.20557	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	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25255	0.2
59.01374	1.5
61.98833	1.0
63.01360	0.2
66.33686	0.2
69.42282	0.4
69.42664	0.4
71.01373	0.4
73.02945	0.2
85.02914	0.2
89.02411	0.2
90.10951	0.2
96.65797	0.2
96.95989	0.2
101.02458	0.3
101.98081	0.2
102.51104	0.1
106.74522	0.2
113.02402	0.2
114.51902	0.2
120.99664	0.3
152.06288	0.2
161.04541	0.4
165.07056	0.3
167.08646	2.4
169.06583	5.1
178.66391	0.1
209.06113	0.2
211.07635	100.0
212.07976	1.8
223.05997	0.2
248.66612	0.2
266.03799	0.2
271.13361	0.4
336.73233	0.2
373.12921	13.5
374.13199	0.3
397.11505	0.2
429.31519	0.2
542.54352	0.2
595.19427	0.5
611.28143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
59.01380	5.0
60.87814	0.5
61.98829	1.6
69.19424	2.9
71.01383	2.2
71.05019	0.5
73.02948	0.7
81.03457	3.8
83.01395	1.6
83.05003	0.5
83.33824	0.5
85.02948	1.1
87.00919	0.5
88.49358	0.5
89.02447	1.5
93.03459	1.4
95.01389	1.3
95.05039	5.8
97.02953	1.1
98.21910	1.3
101.02436	0.9
107.05024	0.5
109.06599	7.2
111.04534	2.6
113.02444	2.8
113.06096	2.7
119.05037	1.3
121.02957	1.6
122.03769	1.0
123.04541	0.8
125.02461	0.6
131.05019	0.6
133.06575	0.6
135.04561	1.6
136.01694	0.5
136.05302	0.6
137.02435	1.0
137.06078	7.4
139.04004	8.1
142.16592	0.5
144.99484	0.5
147.04472	0.5
149.06100	1.6
151.04018	2.0
152.04796	1.1
153.05563	2.2
153.06688	0.5
157.06558	0.6
161.02487	0.7
162.03313	0.7
163.03986	2.5
165.01884	0.8
165.05579	0.8
166.02708	0.7
173.06075	5.5
177.05649	1.2
178.02666	0.5
178.06343	2.3
179.03447	3.3
180.04277	6.4
181.05064	37.2
182.05412	0.6
185.09685	2.9
189.01953	1.6
191.05528	0.8
193.05124	0.9
205.05075	1.1
209.09651	0.7
211.06053	0.8
212.08380	1.5
213.09239	1.6
223.22687	0.6
225.09081	1.0
227.10867	1.2
229.08644	1.9
241.12378	3.5
251.10635	0.7
267.10376	1.4
269.09036	0.8
269.11697	3.7
271.09818	5.6
277.08609	2.9
283.09702	5.1
284.10599	1.3
285.11343	1.4
291.10245	1.8
295.09738	20.4
297.11151	0.8
309.11230	2.6
311.09314	0.9
312.10086	0.8
313.10803	76.1
314.11063	2.6
325.10736	2.3
337.10809	20.8
343.11884	3.9
355.11868	2.0
367.11780	1.1
415.14050	4.8
433.15231	1.7
435.59549	0.6
457.14807	0.7
465.79825	0.6
475.16083	100.0
476.16232	3.5
505.17291	4.2
534.60651	0.5
595.20837	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	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.9
61.98817	0.9
69.38873	1.5
69.39262	1.8
76.15286	0.6
78.95905	58.7
96.96961	11.3
150.97974	1.1
152.99588	88.9
171.00655	2.5
223.00157	10.2
241.01189	23.7
259.02222	1.1
279.23291	64.2
280.23624	1.8
315.01443	1.4
315.04871	14.3
333.05893	0.8
595.28876	100.0
596.28967	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.79774	0.5
60.82421	0.5
70.73148	0.6
71.76378	0.5
78.95901	66.8
80.91718	0.7
96.96957	13.4
97.78065	0.5
107.45753	0.6
109.31734	0.5
127.37198	0.6
150.97981	0.9
152.99583	100.0
153.72812	0.5
171.00632	4.2
223.00107	11.1
241.01175	25.6
259.02206	0.8
279.23285	68.4
280.23688	2.5
315.04892	14.7
333.05841	1.5
556.74823	0.6
595.28845	99.1
596.29163	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	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.15360	0.4
59.01384	0.5
76.04858	0.4
78.95901	68.1
82.57312	0.4
82.57853	0.4
96.96959	14.9
134.98538	0.7
150.98045	0.6
152.99583	67.1
171.00697	0.7
223.00136	1.5
241.01175	33.2
242.01509	0.5
243.40140	0.4
249.87013	0.5
259.02173	0.8
261.22214	0.6
263.12100	0.4
279.23288	67.8
280.23694	2.2
315.04865	9.0
316.05258	0.5
333.05887	0.7
415.22610	6.0
433.23456	1.3
595.28851	100.0
596.28931	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	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.7
70.09161	0.9
70.09512	1.3
75.99890	0.7
78.95902	61.7
90.25342	0.7
96.10629	0.6
96.96954	13.0
97.37486	0.6
101.67741	0.6
152.99588	84.9
160.84064	0.8
171.00641	2.2
212.96069	0.7
223.00110	7.8
239.22145	0.6
241.01193	24.2
259.02206	0.9
279.23291	61.0
280.23596	1.7
315.04865	13.3
333.05963	1.1
342.57822	0.7
363.18390	1.0
595.28882	100.0
596.29108	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	596.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.1
69.09486	14.9
78.95908	5.5
93.03461	4.2
123.76626	2.4
137.02412	4.5
148.05283	8.8
180.86475	2.5
183.10410	3.2
201.60359	2.2
209.06017	6.3
210.06903	5.3
234.89084	2.5
238.06400	16.8
252.08046	2.9
253.08676	29.1
299.09659	4.6
299.12885	67.8
301.14087	2.6
368.10358	4.2
369.11279	39.7
370.12064	25.3
402.11090	5.8
404.78558	3.4
491.15115	5.0
505.16312	10.7
521.19617	67.9
522.19714	4.1
539.20703	2.7
553.22296	100.0
554.22650	7.3
596.28363	4.4
614.02899	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	596.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37226	0.6
53.00482	0.5
59.01377	3.2
61.98833	0.9
71.01387	1.4
73.02946	0.7
79.64384	0.6
81.03438	0.7
83.05006	3.6
85.02913	1.1
97.02961	0.8
97.06603	2.1
99.04544	1.2
99.08148	1.2
101.02431	1.4
111.04506	4.0
113.02399	0.8
123.08144	1.9
131.03757	2.2
139.07632	1.3
143.07135	2.7
144.04555	8.1
146.06111	100.0
147.06427	1.6
163.11273	1.1
181.12321	4.5
190.05080	7.8
199.13373	5.5
205.12424	1.0
217.14400	0.9
220.53560	0.7
223.13414	2.7
225.11324	1.6
243.12355	13.5
257.14160	0.9
261.13403	9.5
267.12326	13.5
285.13348	2.2
327.82684	0.7
352.10287	1.8
405.17630	4.1
552.24103	2.5
552.31708	0.9
578.22382	2.3
596.23431	65.4
597.23883	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	596.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56364	0.3
59.01377	3.2
60.01702	0.4
61.98828	100.0
71.01385	1.5
72.01718	0.2
72.31815	0.2
83.01333	0.3
85.02949	0.5
89.02434	1.2
96.96014	0.3
101.02477	0.9
113.02477	0.8
117.35085	0.2
119.03538	0.5
163.04297	0.2
166.02690	0.4
179.71239	0.2
181.05092	0.4
182.05318	0.3
191.05765	0.3
284.03088	0.3
286.04248	0.3
534.26093	0.3
535.26385	0.4
536.26843	1.6
537.33594	0.6
596.21503	1.5
613.66327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
61.98828	100.0
63.51165	0.2
69.50259	0.6
69.50609	0.2
71.01378	1.1
73.02961	0.3
75.60756	0.2
78.46346	0.1
83.01418	0.2
85.02966	0.5
87.00849	0.4
89.02462	0.7
93.03493	0.5
99.00929	0.2
101.02456	0.6
102.99568	0.2
103.67764	0.2
107.61974	0.2
113.02464	0.5
115.03913	0.2
119.03558	0.2
119.04963	0.2
128.88641	0.2
133.02994	0.2
137.02502	0.2
139.04031	1.9
143.03569	0.2
150.74130	0.2
154.55061	0.2
161.04617	0.3
167.03546	0.2
173.04643	0.4
179.05688	0.3
191.05600	1.3
192.06007	0.3
270.68170	0.2
273.11288	0.3
363.20190	0.2
364.20731	0.3
536.31830	0.4
561.29401	0.8
596.29736	0.2
597.26831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.9
59.91989	0.6
69.03452	2.3
71.01379	3.9
71.25340	0.8
73.02942	2.1
78.45337	0.8
83.05003	7.4
85.02938	1.5
87.00846	1.7
89.02435	4.4
93.03456	19.1
95.05035	3.2
101.02445	3.3
109.02962	1.5
113.02470	6.8
115.43264	0.7
116.00860	0.7
116.92862	1.7
119.03458	0.8
119.04998	5.8
121.02972	1.7
123.04517	1.0
127.03999	5.0
130.04182	0.8
131.03506	1.3
133.06592	1.4
145.06618	0.9
147.04514	8.6
147.08162	1.6
150.03239	2.6
156.05719	0.9
159.08148	1.5
160.05254	2.3
161.04646	1.7
161.06062	3.2
161.09727	4.3
163.83859	0.8
165.05603	3.6
167.03499	1.4
171.08089	1.2
172.05310	1.3
173.06056	0.8
174.06902	1.3
179.05586	1.0
187.07593	8.0
189.09204	100.0
190.09520	2.0
195.06532	1.3
197.04578	2.8
205.08708	1.3
233.08174	74.5
234.08464	1.8
253.67247	0.7
277.07144	5.1
288.99780	0.8
297.11420	0.9
345.13507	1.1
357.13535	1.3
362.99799	0.8
395.08286	1.8
395.13449	29.4
439.12424	18.2
461.14459	1.4
537.25708	8.3
551.27576	1.0
597.17468	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	597.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78997	0.8
57.97412	0.9
59.01376	2.8
69.03455	2.1
69.29343	4.5
70.76741	1.0
71.01373	2.9
73.02940	1.6
80.67355	0.8
83.05016	6.7
85.02946	1.3
93.03458	25.0
95.05006	4.3
101.02454	1.2
113.02434	6.2
119.05003	6.6
121.02941	1.7
127.03995	4.1
129.83815	1.0
133.06593	2.0
139.04007	1.8
147.04527	10.9
147.08109	1.9
156.05798	1.2
160.05298	2.8
161.04630	1.6
161.06087	4.0
161.09740	1.9
171.08148	2.2
172.05292	1.3
174.06805	1.1
187.07652	10.8
188.08322	0.8
189.09206	100.0
190.09599	2.8
204.25969	0.8
233.08177	74.1
234.08490	1.7
273.11227	1.6
273.61139	0.8
277.07144	5.7
395.13443	29.1
439.12405	21.6
440.12518	1.5
483.27966	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	597.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00262	1.1
51.54512	1.0
55.15855	1.1
55.23445	1.0
57.03430	1.2
59.01374	21.7
59.01845	1.0
61.95729	1.1
61.98832	8.8
69.03452	10.7
71.01380	17.2
72.99274	1.2
73.02934	7.6
81.03448	1.7
83.01378	2.8
83.05019	17.2
85.02928	8.0
87.00867	2.1
89.02462	7.6
93.03452	44.1
95.01368	1.4
96.95999	6.9
97.02932	2.1
99.04502	2.0
101.02432	12.4
106.04222	2.4
107.05016	4.6
108.02191	2.2
109.02937	1.6
113.02445	51.3
116.92876	2.3
119.03494	2.7
119.05031	6.3
121.02951	1.5
123.04515	1.9
127.04040	5.6
131.03493	1.6
132.05794	5.8
133.01414	1.8
134.03732	7.6
135.04492	1.8
139.04021	2.4
143.03447	1.8
145.06577	18.6
146.03722	1.5
151.04019	1.5
157.06601	1.1
159.03004	1.2
159.04517	1.5
159.08142	10.1
160.04074	1.7
160.05296	24.2
160.06607	0.8
160.08908	10.8
161.04562	6.3
161.09711	76.6
162.10049	2.4
163.03981	1.6
171.08147	1.5
173.04561	1.4
173.06024	1.9
174.36302	1.1
175.07584	3.8
185.09639	1.4
187.07625	2.9
188.00554	1.0
189.09204	73.7
190.09497	1.7
191.05592	3.7
193.05045	1.5
199.07510	1.3
203.10837	1.8
205.08693	16.7
215.07054	3.6
215.10658	2.2
231.06558	1.6
233.08168	100.0
234.08540	2.3
245.93730	1.1
249.07585	1.2
287.04413	1.4
321.22626	1.8
355.14050	1.6
367.14090	1.8
375.27475	1.3
395.13440	73.0
396.13693	2.5
405.15344	1.4
411.12869	6.9
439.12360	9.9
483.11041	2.4
483.28149	13.7
493.30414	4.6
537.32904	10.7
553.15405	4.7
597.14569	37.2
597.30243	1.4
598.14642	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	597.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32674	0.5
54.79939	0.6
59.01380	4.0
61.96261	0.6
61.98825	5.0
67.12286	0.6
67.61256	0.6
69.03436	1.8
69.26483	3.2
71.01377	3.7
73.02939	2.0
83.05029	7.1
85.02940	1.5
89.02458	1.8
93.03456	21.3
95.05015	3.0
96.96019	0.6
97.06599	0.6
98.21808	1.0
98.81173	0.6
101.02431	1.7
105.28838	0.5
113.02462	8.1
116.92823	0.9
118.61478	0.5
119.03472	0.5
119.05034	6.5
121.02962	1.2
127.04029	4.1
132.05772	0.6
133.06529	1.4
134.03752	0.8
139.04004	1.1
145.06580	0.8
146.03751	0.8
147.04521	9.8
147.08131	2.0
151.04048	0.6
159.08076	1.1
160.05278	2.0
161.04671	1.3
161.06070	3.9
161.09695	5.4
165.05557	0.6
171.08133	2.0
172.05353	1.3
173.06110	0.8
174.06860	1.4
178.39651	0.5
187.07628	7.7
188.08382	1.3
189.09196	100.0
190.09518	2.1
191.05605	1.3
205.08656	3.0
233.08179	71.9
234.08528	1.9
241.05093	0.9
271.09708	1.4
272.10022	0.7
277.07083	4.2
395.13428	28.9
396.13654	1.1
405.15118	0.9
439.12418	20.1
483.27966	2.8
597.13947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03423	1.3
57.50716	1.1
59.01374	13.4
61.98832	8.3
65.03950	1.4
69.03450	15.1
71.01382	15.4
71.42757	1.4
72.99276	1.3
73.02939	6.5
81.03435	2.8
81.11524	1.4
83.01359	2.5
83.05022	26.2
85.02953	8.0
87.00862	3.0
89.02412	4.6
93.03456	55.7
96.96015	2.1
97.02932	3.5
99.04510	3.4
101.02440	7.6
106.04269	2.7
107.05019	2.9
109.02917	1.8
111.04468	2.0
113.02451	60.8
115.00322	3.4
116.92835	3.5
119.03481	1.7
119.04990	3.7
121.02972	1.3
123.04509	1.2
125.02399	1.3
127.04011	10.6
132.05745	2.8
133.01418	11.4
134.03706	5.1
135.04497	2.8
137.02473	1.6
139.03952	3.5
145.06563	3.7
159.04509	3.1
159.08112	5.9
160.05296	21.4
160.08908	2.6
161.04515	3.5
161.08456	2.2
161.09709	36.0
165.01813	1.6
173.04507	1.4
175.07533	1.9
187.07664	1.7
189.09204	100.0
189.93188	1.1
190.09489	2.5
191.05611	3.0
193.04971	4.4
205.06862	1.8
205.08681	26.6
215.07088	1.9
231.06581	2.4
233.08174	72.8
234.08415	2.7
236.04694	1.2
249.07622	3.3
280.70233	1.4
300.02771	2.2
311.09232	1.7
321.22604	2.4
357.09619	4.1
387.10669	2.0
395.13477	37.0
396.13727	1.9
411.12851	8.1
439.12402	12.1
463.08627	2.5
477.14053	2.1
483.11151	4.5
483.28052	13.3
509.16559	1.9
537.33038	2.4
553.15485	6.3
597.14429	52.7
597.30280	3.3
598.14600	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	597.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43179	0.8
59.01369	3.9
60.79353	0.8
61.98829	33.0
69.03453	2.1
69.14699	2.4
69.15105	2.0
71.01370	3.5
73.02938	1.3
83.05022	7.7
85.02927	1.3
87.00884	0.9
89.02464	1.4
93.03461	21.5
95.05009	3.6
96.96005	1.2
101.02425	2.1
113.02450	6.3
119.03584	1.0
119.05027	8.0
121.02941	2.1
127.03991	3.6
133.01463	0.9
133.06586	2.4
134.03719	0.8
135.04497	0.7
139.03976	1.3
142.50117	0.7
146.03716	1.6
147.04527	11.5
147.08154	2.7
158.03723	0.9
159.04431	1.0
159.08177	1.8
159.73727	0.7
160.05301	2.0
161.04666	1.4
161.06084	5.6
161.09735	4.1
165.05562	1.3
171.08170	1.0
172.05379	1.4
174.06902	1.6
187.07626	8.5
188.08269	1.0
189.09204	100.0
190.01895	0.9
190.09534	3.5
191.05521	1.2
193.05083	1.0
204.47989	0.9
205.08675	2.2
209.04495	1.6
228.29724	0.9
233.08171	71.0
234.08498	2.2
246.73775	0.8
277.07129	5.7
301.87610	0.8
395.13452	28.3
396.13745	1.0
439.12424	22.4
440.12772	1.7
443.32730	0.8
483.28238	2.6
514.53931	0.9
563.14624	0.9
597.23401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62176	0.8
56.17476	0.9
59.01380	7.6
61.98824	1.4
65.92255	0.9
69.03437	1.7
69.35069	4.7
71.01385	4.8
73.02943	1.9
83.01381	1.3
83.05023	5.5
85.02935	3.3
89.02465	2.0
93.03458	18.9
95.05027	4.3
97.51645	0.8
101.02438	2.8
107.05035	2.8
113.02441	7.4
116.92892	0.9
119.05030	6.1
123.04497	3.5
127.03994	3.8
133.06606	1.3
134.03798	1.1
135.04556	2.0
137.06161	1.1
139.04015	1.2
141.05536	0.9
147.04517	10.1
147.08130	1.1
151.04001	1.3
159.06624	1.6
159.08060	1.1
160.05322	1.6
161.04596	2.0
161.06073	3.4
161.09712	1.3
171.08116	1.7
171.35938	1.2
174.06902	1.4
187.07619	8.6
188.08359	1.0
189.09212	100.0
190.09521	2.5
191.05614	1.7
233.08173	67.0
234.08548	1.7
273.11343	1.5
277.07172	5.1
285.25827	0.9
321.22726	2.1
395.13464	27.7
396.13589	1.3
439.12430	19.3
483.28159	14.5
581.88068	1.0
597.21655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04708	1.4
59.01377	9.0
61.98827	15.9
69.03451	12.8
71.01373	12.0
71.43128	1.9
73.02950	4.1
79.95770	3.0
83.01388	1.5
83.05028	22.0
85.02930	7.8
88.98781	1.8
89.02433	4.0
89.09200	1.6
93.03457	42.2
93.04026	3.1
94.98085	14.3
96.96011	39.5
97.02967	3.6
99.04511	2.7
101.02422	7.2
106.04246	2.5
107.05009	3.8
113.02448	55.9
116.92808	1.9
119.04996	4.0
127.04005	10.3
132.05836	4.1
134.03722	2.5
139.03967	3.0
145.06534	2.7
159.03033	2.3
159.04474	2.0
159.08153	5.1
160.05293	20.2
160.08902	4.2
161.04587	4.6
161.09709	28.8
173.04652	2.4
189.09209	100.0
190.09555	1.9
191.05545	7.2
203.07025	1.6
205.08693	21.5
211.29163	1.8
215.07164	3.7
231.06577	3.5
233.08179	85.0
234.08458	1.8
249.07564	2.4
260.18500	1.5
267.71677	1.5
395.13422	36.7
396.13705	1.7
411.12711	8.0
439.12372	10.5
483.11359	3.3
493.30328	3.6
553.15393	5.2
596.33557	2.3
597.14459	36.7
597.23132	2.9
598.14941	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	597.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.8
62.61476	0.4
64.62850	0.4
69.32638	2.0
93.03455	61.1
94.03811	0.6
98.21912	0.7
109.94775	0.4
113.33317	0.4
137.02440	100.0
138.02786	0.8
139.64627	0.4
140.70544	0.5
164.68921	0.4
263.07080	0.4
263.50061	0.3
286.77197	0.4
291.06622	1.1
294.08871	0.5
306.09030	0.8
400.13010	0.6
415.15646	3.0
459.14578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03458	1.0
59.01387	1.7
68.99821	1.4
69.03467	0.9
69.44748	1.0
69.45142	1.8
71.01384	2.0
73.02956	0.8
81.03453	7.7
83.01380	5.9
83.05054	0.5
85.02955	2.0
92.72289	0.4
93.03439	4.4
95.01396	2.0
95.05024	5.6
96.02246	0.5
97.02948	5.0
99.04528	1.8
107.05042	1.8
108.02174	1.0
109.02934	3.1
111.00867	0.9
111.04502	3.2
113.02441	1.8
119.05020	7.8
119.05792	0.6
121.02944	3.5
121.06614	1.2
122.03705	0.8
122.06099	0.5
123.00871	0.8
123.04514	16.9
124.01597	0.6
125.02439	11.8
130.32466	0.5
133.06642	0.7
134.03867	0.6
135.04492	4.8
136.88483	0.4
137.02434	5.5
137.06075	7.4
138.03224	1.2
139.04001	10.4
141.05617	0.6
145.06558	1.0
147.04524	3.6
149.02466	1.5
149.06081	2.1
151.03983	3.9
151.07671	0.7
153.05603	1.6
155.03511	1.1
161.06039	2.3
163.04015	4.0
163.07602	1.2
164.04800	0.7
165.01974	2.4
165.05548	7.1
166.02701	1.5
167.03482	32.9
173.06058	1.0
175.03928	0.7
177.05490	2.9
179.03490	8.2
179.07219	1.4
180.04248	1.7
181.05075	2.2
189.05565	7.6
191.03516	1.5
191.07101	0.7
192.04393	0.5
193.01427	0.5
193.05055	4.9
197.04512	6.3
205.01425	0.7
205.05104	1.0
206.02180	0.8
207.06604	2.1
209.04527	29.1
217.05016	0.7
219.03040	1.4
219.06583	1.1
221.04504	5.6
223.06171	1.1
229.08670	1.5
233.04565	1.3
235.06117	1.4
239.05577	12.5
247.06177	0.6
247.09718	1.1
251.05608	5.3
263.05569	1.5
269.06458	2.3
273.07623	3.8
275.05734	0.7
281.06601	1.3
285.07727	2.1
293.06650	0.7
310.98056	0.5
315.08707	19.4
315.12408	1.0
327.08707	7.8
329.10217	0.7
341.10236	1.8
345.09756	6.9
354.07529	0.9
355.08020	0.8
357.09760	100.0
358.10089	3.5
369.09708	5.1
371.11215	0.9
387.10809	74.3
388.11218	2.5
399.10867	3.9
411.10815	0.6
417.11859	25.3
429.11746	2.0
441.11841	1.1
447.12933	0.8
459.12991	9.6
460.13721	0.7
471.12424	0.6
477.13974	22.6
478.14114	1.0
489.13895	7.1
507.15033	3.4
561.16119	1.0
579.17078	2.0
597.18207	15.6
597.27057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
59.01379	7.0
61.98829	10.0
68.99794	1.0
69.03445	2.0
71.01373	4.5
73.02925	2.7
75.00862	4.7
79.01869	1.2
81.03457	3.6
83.01379	3.6
85.02941	6.9
87.00873	2.9
87.71931	0.8
89.02435	2.8
93.03436	3.3
95.01383	1.1
95.05027	1.1
97.02954	4.3
99.00876	2.1
101.02450	5.2
107.05006	2.4
108.02188	1.6
109.02947	7.8
111.00871	5.0
111.04514	2.6
113.02435	4.1
115.04073	0.8
119.03481	0.7
119.04991	0.8
121.02922	2.6
123.00877	2.1
123.04483	3.0
124.01652	2.4
125.02448	5.4
127.04002	1.0
129.01901	2.6
131.05034	2.1
135.04480	2.7
136.01656	1.1
137.02466	6.1
137.05991	0.8
138.03195	2.8
139.04007	3.2
145.06543	1.1
146.03758	0.8
147.04478	1.2
149.02452	1.8
149.06056	3.3
150.03159	2.8
151.00360	1.4
151.04021	6.0
152.01173	2.0
153.01935	8.0
154.02629	1.1
155.04878	0.9
161.02403	2.6
163.03896	1.4
164.01169	1.0
164.04771	1.6
165.01906	3.3
166.02763	1.6
167.03510	5.2
168.00632	1.2
170.02289	0.9
171.03006	0.9
173.04593	1.6
173.06047	15.7
175.03828	0.9
177.01918	2.5
178.02773	1.2
179.03476	6.2
180.00623	1.7
181.01346	1.3
182.02197	8.7
183.02931	2.2
190.02661	1.9
191.03477	2.5
191.05634	1.7
192.04156	1.3
193.04999	1.3
195.03003	4.9
197.04567	1.1
199.07365	0.8
207.03134	1.6
207.05035	11.1
209.04399	1.0
211.07591	0.9
213.08966	1.3
218.02173	1.3
227.10742	7.9
227.84416	0.7
229.08696	4.7
239.10822	1.1
241.08669	8.4
243.06667	6.9
253.08670	1.9
255.06534	4.8
255.10204	2.0
257.08234	8.1
268.07516	1.4
269.08176	27.8
271.09680	2.3
272.06961	1.8
273.07706	4.0
273.10886	0.8
281.08170	10.4
282.08685	1.3
283.09674	3.0
285.07755	4.6
286.08456	4.7
287.09183	2.6
293.08463	1.2
295.09616	1.2
297.07660	1.9
299.09265	4.1
303.07068	1.2
307.09692	1.4
309.07867	5.2
309.10901	1.3
311.09241	29.9
314.07965	10.8
323.09171	1.1
326.07858	1.2
327.08633	1.9
339.08585	3.3
341.10138	1.2
351.08664	1.3
371.11392	7.0
389.07553	1.6
389.12326	24.0
389.15924	1.4
407.13379	2.8
413.12247	1.0
429.11728	1.2
441.12253	1.7
447.13177	1.8
459.12845	8.9
477.14035	54.8
478.14441	1.2
579.17371	1.9
597.18213	100.0
598.18311	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	597.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18785	0.4
55.19736	0.5
61.98809	0.5
62.37886	0.5
70.65215	0.7
88.76507	0.5
92.92792	0.6
93.03455	75.1
94.03754	0.6
101.11893	0.5
107.50440	0.4
137.02440	100.0
138.02776	1.4
150.50990	0.5
160.01640	1.2
161.02467	0.6
253.08859	0.6
276.52740	0.5
315.10498	0.5
329.11685	0.7
330.12524	1.4
357.11264	2.6
358.12085	1.6
369.11386	0.7
373.14413	0.8
386.11536	3.8
396.10211	0.7
397.10931	1.2
398.11743	0.8
399.12369	0.9
413.13882	1.3
414.10806	2.6
429.13318	17.8
430.13452	0.8
444.15643	8.9
459.18127	21.2
460.18634	0.9
571.74121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36801	1.2
53.61272	1.0
59.01376	56.5
65.22131	1.3
65.74590	1.0
69.47700	3.6
69.48108	2.4
104.03642	1.1
121.02959	2.9
122.03744	3.8
146.03726	8.4
149.02431	43.1
150.03229	31.6
161.04610	1.3
161.06006	1.7
164.04768	16.0
165.05562	45.1
179.07150	17.1
180.04283	3.2
195.06613	42.0
214.68370	1.1
283.09793	1.6
312.10016	20.8
327.12363	100.0
328.12613	3.8
330.22452	1.1
332.23080	1.4
341.97797	1.1
364.75479	1.2
366.80542	1.5
375.14450	40.5
376.14471	1.8
395.88016	1.1
425.95193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45454	1.0
59.01377	15.3
66.74169	1.0
69.39687	5.4
71.01346	1.3
89.02435	1.3
91.22559	1.1
98.61607	1.2
108.02151	1.4
109.02950	17.0
116.92838	1.3
121.02959	2.6
133.02971	1.3
136.01662	24.7
145.02953	1.9
145.99818	1.2
147.04446	1.4
148.05255	1.5
149.02397	1.9
150.03235	5.6
151.04008	49.1
159.04434	1.4
160.05267	2.7
165.05537	9.5
167.03532	1.2
175.07640	2.4
178.06328	2.1
179.07166	3.6
181.04987	2.1
193.08623	1.8
195.06589	6.0
239.07098	3.2
267.03729	2.1
267.06604	44.0
268.07022	1.5
282.08966	39.8
297.11292	93.3
298.11618	3.1
315.12372	19.3
327.12469	7.4
342.10962	1.3
345.13409	100.0
346.13641	4.1
357.13351	13.7
372.51871	1.3
375.14441	20.5
405.14944	1.3
435.16440	1.7
451.80231	1.3
507.18668	5.3
550.13678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03444	0.7
59.01383	5.3
61.98825	10.1
63.36059	0.5
67.01882	0.5
67.05530	1.0
68.52966	0.5
68.99800	1.4
69.03445	0.8
71.01376	3.4
72.24702	0.4
73.02945	0.6
81.03465	1.7
85.02939	1.5
89.02444	1.3
90.31159	0.4
93.03440	1.4
95.05026	8.7
96.95988	1.0
98.22683	1.2
101.02457	1.5
111.04507	0.8
113.02451	1.8
119.03536	0.6
137.02412	0.7
139.04007	100.0
140.04359	1.1
153.29045	0.5
167.03499	0.5
173.04532	1.8
187.07610	0.8
191.05588	2.9
192.05670	0.5
243.85889	0.6
273.11514	0.7
277.46625	0.6
483.24106	0.7
553.23151	0.8
579.21069	0.9
597.26782	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45498	0.3
55.01859	0.5
57.03440	0.5
57.37741	0.4
59.01375	6.4
61.44673	0.3
61.98830	33.3
67.05531	0.8
68.99808	0.8
69.03444	0.7
71.01382	3.4
72.99275	0.7
73.02943	0.9
75.00901	0.4
80.54591	0.3
81.03461	1.2
82.95424	0.4
83.01384	0.4
85.02951	1.5
87.00875	0.9
89.02460	1.7
90.32696	0.3
93.03446	1.6
95.05022	7.1
96.96020	2.0
101.02461	2.4
107.05025	0.3
111.04519	0.8
111.08199	0.4
113.02449	2.5
113.06083	0.4
124.01652	0.4
126.17844	0.5
130.87386	0.4
135.04509	0.6
137.02486	0.8
137.09727	0.4
139.04013	100.0
140.04367	1.6
157.05104	0.3
159.02963	0.3
161.04591	0.7
167.03433	0.5
173.04541	1.8
179.05632	0.7
184.60033	0.3
191.05637	2.9
191.07146	0.6
205.08749	0.3
205.12265	0.3
206.12509	0.3
227.01979	0.9
284.03329	0.5
347.09293	0.5
358.83661	0.3
381.22015	0.3
449.20453	0.4
483.24576	0.7
493.27121	0.5
537.32208	1.0
539.82581	0.4
561.28986	3.4
597.27020	3.8
598.27856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.9
61.98827	100.0
68.39569	0.8
69.18507	3.1
71.01386	5.7
73.02948	1.5
75.00865	1.1
79.11550	0.7
85.02985	2.3
87.00885	1.1
89.02441	4.1
93.03419	0.9
95.05033	1.9
96.96025	2.2
99.00863	0.9
101.02435	4.2
113.02448	3.0
114.62057	0.7
119.03504	2.9
121.02951	1.8
124.01624	0.7
131.03474	0.7
138.01849	0.7
139.04007	22.1
143.03514	1.1
152.01143	0.9
161.04659	1.3
161.31049	0.8
167.03450	1.0
173.04642	2.2
175.07692	0.9
179.05652	0.7
191.05606	4.0
201.18816	0.8
205.12347	0.7
221.06760	1.1
243.06660	0.7
272.10434	1.0
273.11407	2.3
363.20355	1.2
381.12061	0.9
561.29156	7.8
597.26862	12.2
597.35809	1.0
598.27216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.9
61.98827	100.0
68.39569	0.8
69.18507	3.1
71.01386	5.7
73.02948	1.5
75.00865	1.1
79.11550	0.7
85.02985	2.3
87.00885	1.1
89.02441	4.1
93.03419	0.9
95.05033	1.9
96.96025	2.2
99.00863	0.9
101.02435	4.2
113.02448	3.0
114.62057	0.7
119.03504	2.9
121.02951	1.8
124.01624	0.7
131.03474	0.7
138.01849	0.7
139.04007	22.1
143.03514	1.1
152.01143	0.9
161.04659	1.3
161.31049	0.8
167.03450	1.0
173.04642	2.2
175.07692	0.9
179.05652	0.7
191.05606	4.0
201.18816	0.8
205.12347	0.7
221.06760	1.1
243.06660	0.7
272.10434	1.0
273.11407	2.3
363.20355	1.2
381.12061	0.9
561.29156	7.8
597.26862	12.2
597.35809	1.0
598.27216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
58.61285	1.5
59.01378	38.8
60.77602	1.7
65.66114	1.6
69.03439	3.1
69.75195	1.7
69.75565	6.2
71.01385	25.5
72.09847	2.0
73.02948	8.7
83.01407	1.8
83.05007	7.9
84.91084	1.4
85.02940	4.5
87.00881	10.3
88.36975	1.4
89.02442	39.9
93.03452	24.4
95.05005	3.5
97.02907	1.9
98.21928	3.5
99.00878	14.4
101.02441	14.8
111.00879	2.6
113.02441	15.0
116.92861	2.7
119.05015	5.7
121.02921	3.2
122.03760	3.8
123.00856	1.9
125.02456	4.5
127.04004	5.9
131.03474	6.6
133.06573	2.3
139.07631	2.2
141.73465	1.7
142.99947	1.7
143.03502	2.2
147.04495	11.3
149.02402	6.2
149.04549	15.9
149.09698	8.0
150.03218	28.4
151.00371	1.7
151.03889	1.7
153.09207	4.3
160.05313	4.7
161.02565	1.8
161.04564	3.5
161.05995	3.9
161.09700	4.4
163.04086	1.7
164.04742	4.1
165.05568	29.7
166.02769	2.3
167.10786	8.0
169.26433	1.8
174.01633	1.7
181.05112	2.9
187.07564	7.1
188.08357	1.7
188.10060	1.8
189.09206	100.0
190.09615	3.8
191.03847	2.5
191.05585	7.1
195.06656	12.7
197.04556	2.0
205.08612	4.2
209.08246	2.4
221.08157	2.3
233.08191	74.9
234.08537	2.5
249.07724	1.8
251.07877	2.1
277.07089	9.0
296.68304	1.9
337.09265	9.5
369.13193	3.3
395.13474	26.9
396.13876	2.6
439.12314	20.7
461.14676	8.4
533.16693	3.2
537.25507	85.3
538.25830	5.3
579.16943	4.9
597.18085	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3042
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
70.43311	0.8
70.43627	0.8
76.08533	0.6
78.91894	0.9
78.95900	59.6
96.96365	0.8
96.96957	13.4
101.54360	0.5
150.98021	1.2
152.99580	53.1
171.00595	1.2
172.65294	0.5
199.70726	0.6
223.00096	2.1
241.01172	26.4
255.29152	0.6
259.02106	0.7
279.23193	2.6
281.24838	65.3
282.25211	1.1
315.04871	7.4
339.78687	0.6
405.49231	0.6
417.24057	4.2
435.25113	1.2
447.25354	0.9
597.30402	100.0
598.30804	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	597.3044
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
56.65210	1.6
57.52911	1.8
62.44702	1.8
77.55260	1.8
78.95900	64.6
96.96976	13.1
150.05385	1.8
152.99586	77.6
153.82031	2.0
198.01001	2.1
199.25493	2.0
203.29422	2.0
223.00067	2.8
241.01190	20.4
243.74249	1.9
279.23355	11.5
281.24860	64.2
309.47906	2.0
315.04840	7.9
358.54608	1.9
386.71848	2.2
417.23590	3.5
447.24994	4.7
597.30438	100.0
598.30225	3.1
610.77094	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	597.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62119	8.8
59.01374	100.0
60.99277	10.5
61.98827	80.2
63.83566	9.3
69.03513	12.1
71.01376	28.1
85.02955	16.6
87.00874	29.4
88.98826	19.7
90.58968	10.2
93.03438	55.6
98.53217	10.1
101.02422	15.0
111.04539	18.0
113.02428	22.2
115.41967	9.9
139.03979	44.4
173.04561	62.0
174.04964	12.4
178.02698	9.9
187.07693	11.3
191.05638	77.5
192.06038	16.9
209.11835	17.1
316.65329	10.2
449.14990	11.1
579.23718	55.3
597.32147	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	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92118	0.2
57.25850	0.2
58.02969	0.4
59.01381	1.2
61.98825	3.5
69.32431	1.3
71.01379	0.7
72.89605	0.3
73.02934	0.5
78.91898	1.1
79.55883	0.3
81.03457	10.8
81.03940	0.5
83.05024	35.5
85.02932	0.3
87.85194	0.2
89.02479	0.2
93.03448	0.3
96.95999	0.4
100.07681	4.9
101.02459	0.5
113.02442	0.4
121.27009	0.2
122.03754	1.1
125.02459	0.5
126.05614	0.9
127.04041	0.5
137.02483	0.3
138.92130	0.2
146.06102	0.8
147.06450	0.3
152.01154	0.3
152.98529	0.2
157.13541	0.2
161.04553	0.7
164.04800	0.3
164.98438	0.2
167.03456	0.8
171.08156	0.5
182.15486	0.4
191.05602	0.8
199.18156	6.5
207.14996	0.7
207.77913	0.3
208.03732	0.4
209.04240	0.2
209.44952	0.3
213.09201	13.0
214.09544	0.5
223.06076	0.9
224.06488	0.7
224.17644	0.8
225.06758	0.5
225.13904	0.5
225.16069	8.2
226.14507	0.4
241.01277	0.3
243.17111	19.5
244.17609	0.3
269.15073	1.3
288.91092	0.3
309.21909	1.1
349.20145	1.5
353.20807	7.8
375.14563	2.5
395.75128	0.2
433.31699	0.5
445.05347	0.8
451.32883	2.5
469.33890	15.5
470.34167	0.6
480.14642	0.3
495.32266	0.4
513.72070	0.3
553.39661	0.6
579.37463	3.3
597.38647	100.0
598.29175	0.4
598.38873	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	598.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90345	1.8
96.04551	2.4
99.06597	1.7
105.51334	1.8
106.80232	2.0
106.97216	1.9
110.06134	5.8
122.06121	11.0
128.01764	27.9
147.04489	1.8
156.04893	35.4
189.09184	7.0
190.09564	4.5
191.05708	2.4
200.03865	11.9
233.08086	6.0
234.08478	5.5
244.02824	100.0
245.03003	3.4
614.57703	2.1
621.78467	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	598.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98831	100.0
63.81141	0.6
69.20171	4.0
74.60915	0.7
76.05840	0.6
79.94257	0.6
98.21892	1.6
102.65697	0.6
116.92802	0.9
121.02962	5.2
136.05295	4.0
147.13705	0.7
158.75227	0.7
191.05614	0.7
196.08963	3.1
212.11127	0.6
222.27715	0.6
272.10510	10.5
287.12891	97.9
288.13318	2.1
327.12952	0.7
491.19232	1.1
578.68048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02992	1.3
61.98828	100.0
63.26974	0.7
70.87236	1.0
70.87618	0.7
74.02494	2.2
74.32974	0.7
99.05663	2.9
128.03535	6.0
129.58012	0.7
143.04616	10.7
146.04602	1.0
153.06606	0.8
160.00812	3.1
167.04622	0.9
179.04695	1.3
210.08842	1.4
225.47562	0.7
254.07860	2.1
272.08841	7.5
288.06604	1.7
299.02496	0.9
306.07648	21.2
490.75467	0.7
598.28503	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	598.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19199	0.5
61.98827	100.0
79.64778	0.6
80.85703	0.6
83.91860	0.5
165.27657	0.6
178.20799	0.7
217.00772	0.6
306.07697	1.4
325.38065	0.7
535.22003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	5.8
66.91608	6.3
69.78275	20.4
78.95896	23.2
92.71733	7.0
94.16223	6.6
98.21854	9.0
106.22434	7.9
113.58633	6.5
123.04531	7.7
128.84340	7.2
151.03972	15.3
152.99568	14.6
167.53824	6.2
194.32674	6.8
225.09253	9.0
238.09958	7.2
253.12297	11.3
254.09492	12.4
268.10904	12.5
281.23672	8.0
283.13272	8.2
300.12155	6.7
301.10883	17.0
301.23502	9.4
302.11649	8.8
315.12473	23.2
316.14017	7.6
462.76346	7.2
481.27322	7.5
524.56268	6.6
555.15784	8.1
555.23914	100.0
597.29358	9.8
598.29498	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98828	100.0
71.01385	0.4
71.87348	0.1
72.01743	0.2
72.24920	0.1
72.59827	0.1
73.55488	0.1
89.02456	0.4
93.03480	0.2
96.96004	0.2
101.02448	0.3
113.02408	0.2
115.55394	0.1
116.92876	0.5
123.04537	0.2
234.08780	0.1
322.10370	0.2
437.14682	0.2
484.28522	0.3
538.28448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75622	8.3
58.02984	14.5
59.14174	8.7
61.98853	8.1
63.45953	8.7
66.11289	7.0
69.58865	26.9
69.59216	8.9
74.02481	32.3
81.26715	8.6
86.02458	13.4
99.05628	30.7
104.99113	8.5
127.89036	8.2
128.03561	67.1
135.05640	8.5
140.03497	7.5
143.04628	90.9
145.59982	8.0
147.24329	9.4
153.06943	8.0
166.09892	7.6
179.04655	19.4
210.08859	18.6
254.07857	36.8
272.08868	100.0
273.09082	10.2
311.57889	10.6
598.27997	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98828	100.0
64.85714	0.2
71.01385	0.7
78.99892	0.2
81.88823	0.2
82.95399	0.6
85.02953	0.3
85.68428	0.2
89.02456	0.2
92.05074	0.4
93.03483	0.3
95.05042	0.5
96.96019	0.4
101.02467	0.3
104.65709	0.2
111.04514	0.2
116.92873	0.3
123.50696	0.2
131.28976	0.2
136.04054	0.3
139.04018	6.0
140.04315	1.0
142.09416	0.2
163.51773	0.2
167.03511	0.3
173.04582	0.4
179.65315	0.2
179.68480	0.2
191.05615	1.0
562.29248	0.2
598.27570	0.4
598.36328	0.5
599.24683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
56.92559	0.5
57.03424	0.6
59.01376	8.4
61.98830	11.8
64.08115	0.5
68.99831	0.7
69.03464	0.7
71.01382	4.6
71.05018	1.1
71.97299	0.4
73.02939	1.7
80.03328	0.5
81.03441	0.8
82.95415	0.6
83.01402	0.5
83.05012	0.7
85.02952	1.4
87.00871	1.2
89.02440	2.5
92.05056	0.6
93.03451	2.8
95.05015	7.2
96.96012	3.0
101.02433	1.9
111.04504	1.4
113.02450	2.4
113.06091	7.7
115.04015	7.8
116.92856	1.3
119.03522	1.3
122.03585	0.6
129.05554	2.5
135.04547	1.2
136.04042	0.8
139.04010	100.0
140.04362	1.9
150.03169	0.5
154.63821	0.5
155.66251	0.5
157.05049	3.6
159.02975	8.0
161.04547	0.9
165.05556	0.7
167.03558	0.8
173.04607	2.3
179.03380	0.6
179.05583	1.4
187.11293	0.6
191.05611	3.9
201.04027	21.6
203.07056	0.8
209.11954	0.9
232.07378	0.7
233.08229	0.7
253.09457	0.7
323.14807	0.7
327.21811	1.0
363.09195	1.4
381.10376	1.6
386.55441	0.5
403.13806	0.6
407.16876	0.7
430.05069	0.6
519.75378	0.6
563.19232	1.5
563.30463	0.6
581.22363	1.6
598.35913	1.3
599.27295	2.2
599.36548	1.2
606.23541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
56.92559	0.5
57.03424	0.6
59.01376	8.4
61.98830	11.8
64.08115	0.5
68.99831	0.7
69.03464	0.7
71.01382	4.6
71.05018	1.1
71.97299	0.4
73.02939	1.7
80.03328	0.5
81.03441	0.8
82.95415	0.6
83.01402	0.5
83.05012	0.7
85.02952	1.4
87.00871	1.2
89.02440	2.5
92.05056	0.6
93.03451	2.8
95.05015	7.2
96.96012	3.0
101.02433	1.9
111.04504	1.4
113.02450	2.4
113.06091	7.7
115.04015	7.8
116.92856	1.3
119.03522	1.3
122.03585	0.6
129.05554	2.5
135.04547	1.2
136.04042	0.8
139.04010	100.0
140.04362	1.9
150.03169	0.5
154.63821	0.5
155.66251	0.5
157.05049	3.6
159.02975	8.0
161.04547	0.9
165.05556	0.7
167.03558	0.8
173.04607	2.3
179.03380	0.6
179.05583	1.4
187.11293	0.6
191.05611	3.9
201.04027	21.6
203.07056	0.8
209.11954	0.9
232.07378	0.7
233.08229	0.7
253.09457	0.7
323.14807	0.7
327.21811	1.0
363.09195	1.4
381.10376	1.6
386.55441	0.5
403.13806	0.6
407.16876	0.7
430.05069	0.6
519.75378	0.6
563.19232	1.5
563.30463	0.6
581.22363	1.6
598.35913	1.3
599.27295	2.2
599.36548	1.2
606.23541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47356	0.5
55.01868	0.6
57.03438	0.8
59.01379	6.4
61.98830	24.1
68.67049	0.6
68.99818	1.0
69.03413	0.8
69.10076	0.8
69.10413	3.9
71.01385	3.5
73.02939	1.5
81.03455	1.0
82.95403	1.0
85.02945	1.6
87.00837	1.0
89.02448	1.6
92.05088	0.8
93.03467	3.0
95.05028	8.5
96.96011	6.0
101.02435	1.6
103.04016	1.1
111.04515	1.4
113.02450	2.2
115.03947	0.5
116.92812	1.0
119.03479	0.5
123.04522	4.6
125.02513	1.1
137.02385	0.6
139.04012	100.0
140.04356	1.8
141.04518	0.7
155.03442	0.6
161.04562	0.9
166.02985	0.5
167.03506	1.4
169.01428	1.0
173.04510	3.4
173.77866	0.7
175.07567	0.7
181.59380	0.5
191.05646	6.9
192.06061	0.7
201.04192	1.1
205.08716	0.7
209.04619	0.6
228.19600	0.6
237.07672	3.9
263.73254	0.5
265.21738	0.6
284.47833	0.6
323.11478	3.9
407.17307	0.7
485.16583	2.1
563.21417	1.2
581.22479	1.6
599.26923	2.1
599.36719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47995	1.6
59.01379	100.0
60.86321	1.7
61.98834	9.6
68.99823	1.9
71.01385	9.7
71.05023	2.1
73.02941	4.4
77.92180	1.6
81.03475	1.9
81.98509	1.6
83.05045	3.1
85.02939	5.4
87.00875	4.4
88.86249	1.7
89.02433	5.0
93.03469	10.7
95.05030	9.7
96.96017	4.9
98.77884	1.9
99.00926	2.1
100.61037	2.0
101.02443	7.2
111.00854	2.0
111.04505	2.1
113.02464	5.2
113.06092	2.7
115.03996	5.1
117.92795	2.0
119.03489	1.8
135.04524	5.4
139.04010	92.8
159.02966	4.5
161.04558	3.3
161.09772	2.3
161.13379	7.0
165.05589	2.9
167.03459	1.8
171.10231	2.7
173.04550	14.8
179.03499	3.2
187.07614	3.1
187.11252	24.6
189.05521	2.0
191.05591	18.5
200.68971	1.7
201.04068	4.3
205.08725	2.1
205.12344	11.9
209.11838	2.6
216.69867	1.7
232.07405	2.1
247.09743	2.6
262.80948	1.9
263.11270	2.4
429.59357	2.0
445.97220	2.3
451.23337	6.0
495.22183	4.2
513.23505	2.5
555.24292	6.1
563.21362	7.3
581.22272	8.8
599.27173	5.8
599.36896	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	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03418	0.7
59.01375	6.9
61.98828	71.3
64.12529	0.6
65.07341	0.7
67.05520	0.9
69.03439	1.4
69.40695	2.2
71.01376	3.1
73.02958	1.5
81.03478	1.7
82.95409	1.1
85.02946	2.6
87.00872	0.8
88.98769	0.8
89.02430	1.5
93.03448	4.0
95.05035	9.6
96.96004	9.7
98.21829	1.3
99.92632	0.6
101.02443	1.9
107.04993	1.2
109.02911	1.0
111.04531	1.4
113.02442	4.1
113.06129	3.1
116.92831	1.3
119.03447	0.9
126.90430	0.7
135.04520	1.1
135.62111	0.6
137.02461	0.7
139.04010	100.0
140.04317	1.8
151.03964	0.7
155.03487	1.2
161.04587	0.8
165.05634	0.7
167.03455	0.7
170.94865	0.7
173.04553	4.1
175.07671	2.0
179.03531	0.6
179.05699	0.9
179.97458	0.7
191.05588	5.6
203.06897	0.6
219.10265	0.8
221.08455	0.6
285.04160	0.7
341.08826	1.1
407.17084	0.8
455.11874	0.9
469.90735	0.6
538.32959	0.8
581.22321	1.1
599.27838	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	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.71470	0.4
57.03438	0.5
59.01376	5.7
61.98826	9.1
67.05516	0.7
68.99828	0.8
69.03448	0.9
69.86514	1.2
71.01376	3.6
73.02953	0.7
81.03455	1.3
82.95404	0.8
83.01390	0.5
85.02957	1.2
86.68685	0.4
87.00854	1.2
89.02439	1.2
91.01366	0.4
93.03453	3.3
94.05719	0.4
95.05032	7.9
96.96026	3.4
101.02451	1.4
109.02969	0.7
111.04496	1.2
113.02451	1.7
113.06096	1.1
115.03986	0.8
116.92868	0.9
123.04523	0.9
127.03980	0.5
133.77719	0.4
135.04517	0.7
136.04082	0.8
136.05162	0.4
137.02536	0.6
139.04008	100.0
140.04353	0.6
150.03215	0.9
153.34206	0.5
157.05093	0.4
159.02940	1.3
159.50827	0.4
161.04620	0.5
165.09203	0.7
173.04544	4.1
175.03961	0.4
179.05643	0.7
191.05585	5.4
196.62370	0.4
201.04037	3.2
201.11363	0.5
204.07813	0.5
209.11856	1.0
215.07224	0.4
227.01949	0.7
237.07706	0.7
323.11240	0.5
343.77805	0.4
363.20212	0.7
389.16037	0.6
396.60419	0.4
407.17068	0.6
485.16815	0.9
485.23465	0.7
561.29248	0.8
563.21967	0.7
581.22083	1.5
598.35974	1.0
599.26929	1.7
599.36230	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.3
59.01378	100.0
61.98832	3.7
69.03451	2.5
69.40299	1.9
69.40683	3.4
71.01385	11.0
73.02924	4.6
76.34768	1.2
82.95444	1.4
83.01384	2.6
84.95113	3.6
85.00430	9.8
85.02950	13.7
87.00874	30.2
89.02451	12.9
97.02905	1.7
98.22552	2.7
99.00861	2.3
101.02457	22.0
109.92130	1.0
113.02429	6.7
125.02421	2.7
128.90765	1.3
131.03496	20.9
136.78499	1.2
142.09706	1.1
143.03473	1.6
149.04532	6.5
153.56036	1.0
154.52744	1.2
155.03435	1.2
171.10275	2.9
173.04539	2.9
191.05588	9.1
203.60820	1.2
209.11726	2.3
233.06615	4.2
257.11761	1.9
275.07697	2.1
293.08688	3.8
502.14166	1.5
513.26801	2.2
612.88599	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	600.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74223	0.4
50.85252	0.4
59.01374	7.5
61.98828	31.1
65.95969	0.4
71.01396	1.1
73.02950	0.6
81.03463	0.9
89.02464	0.7
91.18275	0.4
93.03448	1.0
95.05034	1.0
96.96024	1.4
101.02454	0.5
108.02161	2.7
113.02419	0.7
116.92857	0.5
122.03737	5.2
123.04522	100.0
124.04859	1.1
139.04007	7.8
140.04361	1.1
161.13341	0.6
171.10237	0.6
173.04567	0.8
187.11287	0.7
191.05661	1.8
254.05632	0.4
255.06575	2.2
271.09799	5.7
289.10809	87.0
290.11084	3.1
372.53214	0.5
461.67990	0.5
468.67422	0.4
493.17142	16.0
494.18240	0.5
564.21576	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	600.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83721	0.3
59.01376	3.0
59.45693	0.3
61.98827	100.0
69.43956	0.7
69.44308	0.9
80.92815	0.3
82.95426	0.4
89.02452	0.6
93.03432	0.3
96.96017	0.6
110.67031	0.3
112.92083	0.3
113.02450	0.3
113.91199	0.3
149.02460	0.9
150.03204	0.7
151.03452	0.3
165.05544	1.5
165.06776	0.8
166.05864	0.7
167.06148	0.4
179.07176	0.4
191.05786	0.5
193.09816	0.7
195.06657	1.2
196.07077	0.7
197.07063	0.4
313.10333	0.5
314.10776	0.4
327.12296	0.7
328.12799	1.2
329.13062	0.9
330.13312	0.6
353.96335	0.4
375.14755	0.4
378.15497	0.4
599.32281	0.5
600.33069	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	600.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64521	0.5
61.98822	0.9
69.52015	1.4
69.52433	1.0
71.01391	1.7
80.72987	0.5
96.95972	0.6
111.82904	0.5
115.00375	0.7
123.04519	1.0
124.86852	0.6
127.82869	0.5
147.08139	0.6
152.01149	0.5
167.03471	6.2
167.14505	1.1
172.73222	0.5
177.16354	0.9
178.16014	1.2
182.56693	0.6
184.22610	0.6
232.17043	5.7
250.18117	13.4
276.15939	2.8
283.04568	1.4
292.45853	0.5
294.17096	100.0
295.17334	2.3
312.10834	0.7
374.32397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97046	1.1
58.02969	9.5
61.98846	1.4
69.27223	6.3
74.02478	21.4
81.04592	1.7
82.02982	3.3
83.50407	1.1
84.04530	1.2
86.02488	10.1
86.06137	1.7
86.99091	1.7
87.05650	3.9
91.25551	1.1
97.04094	3.5
99.05644	19.4
100.00395	2.5
101.07229	3.8
102.05617	4.6
107.06170	1.3
109.04078	3.0
109.07748	1.6
111.05648	1.8
112.04040	2.7
115.05898	1.6
123.05655	1.9
124.04040	1.7
125.03622	1.3
127.05125	2.2
128.03542	51.1
135.05609	6.9
141.06728	1.8
143.04620	78.2
144.06175	2.1
145.06209	3.6
146.03748	1.0
146.04640	8.4
153.06761	3.6
166.09883	2.8
167.04634	3.8
167.08299	5.0
170.03348	2.3
171.04126	2.3
179.04614	18.0
179.07112	2.0
181.06259	2.1
185.05688	2.0
192.07777	2.3
197.05707	3.6
210.08847	16.6
210.10643	1.4
228.09814	1.6
241.08759	1.2
254.07809	49.0
272.08868	100.0
273.08945	1.4
293.21429	2.8
327.19864	7.1
391.15607	1.3
471.25076	5.4
570.22351	2.3
582.28650	5.0
600.29883	43.4
601.30310	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	600.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34261	9.7
61.98817	49.7
70.69405	14.5
74.02477	18.0
75.24062	10.7
96.23263	10.7
99.05653	24.5
124.11031	10.0
128.03548	59.8
142.82645	12.3
143.04655	71.5
179.04678	16.9
181.29213	9.8
190.97591	10.6
191.05614	11.3
210.08878	13.4
247.88684	11.2
254.07829	39.8
271.69431	10.7
272.08823	100.0
292.25000	9.2
418.19238	13.3
420.31064	12.4
421.92749	10.9
600.29852	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01383	8.4
61.98821	1.6
69.03455	0.6
71.01380	11.8
71.05032	0.6
73.02946	6.9
79.95741	0.5
83.01388	0.7
83.05035	2.9
85.02943	4.4
89.02442	6.2
89.32748	0.5
90.54127	0.5
93.03459	31.2
95.01395	1.1
96.96004	2.5
99.00875	1.1
99.04529	1.4
99.97919	0.6
101.02439	5.9
106.04276	4.0
107.05035	0.9
108.02179	0.7
113.02444	5.2
116.92840	1.3
119.03500	2.2
119.05035	10.6
123.04514	1.0
130.02219	0.5
132.05798	1.4
134.03755	11.9
135.04535	3.8
143.03511	1.2
145.06578	2.1
147.04533	8.0
150.03290	0.7
151.05272	0.5
156.05817	1.8
159.08141	5.4
160.05327	0.8
160.08945	2.0
161.04559	3.5
161.09717	41.6
165.05560	1.6
167.03596	0.9
171.08189	3.0
179.03510	0.7
179.05594	1.0
187.07671	1.9
188.08340	1.4
189.09209	54.5
190.09592	0.7
190.70589	0.5
191.05576	1.3
195.06612	1.3
199.04124	0.6
200.04840	2.3
205.08688	52.7
206.09070	1.8
215.07120	13.4
233.08176	11.4
234.08804	0.7
259.06097	10.3
277.07156	15.7
278.07648	1.0
306.07663	1.5
312.35315	0.6
313.36145	0.6
331.11676	0.8
367.14001	9.2
379.14240	1.0
395.13501	20.7
439.12439	100.0
440.12677	4.3
485.61438	0.6
553.19177	0.7
601.17291	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	601.2056
Annotation	Austrocolorin A1
Peak:m/z	Relative Intensity
56.17183	3.5
59.01374	26.5
61.98824	50.3
62.44666	4.2
67.40053	3.4
70.64972	5.3
71.01381	14.7
73.02944	12.7
77.51105	4.3
78.42770	3.7
80.09552	3.5
89.02439	4.4
90.24705	3.2
96.95992	8.7
101.02444	16.5
113.02521	5.9
139.04071	3.4
149.04559	5.5
150.03186	7.8
150.06801	5.8
154.31160	4.1
161.02458	4.4
161.04558	5.3
165.05560	11.8
176.62074	3.3
191.05594	3.7
195.06604	6.2
223.43338	3.9
241.12369	40.1
248.01331	3.9
263.07645	4.5
308.79172	3.6
315.49512	4.0
357.13379	5.1
403.17609	8.5
485.92499	3.9
535.19769	5.2
565.23334	5.9
601.20563	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	601.2058
Annotation	Austrocolorin A1
Peak:m/z	Relative Intensity
59.01387	48.0
61.98806	13.6
67.60625	8.3
69.35806	22.8
69.36199	21.8
71.01368	34.8
78.99483	9.6
89.02453	41.2
98.21940	20.7
125.02430	32.8
149.04512	13.8
161.09721	13.8
170.20682	9.3
191.05580	15.9
205.00096	8.6
205.08702	26.3
233.06532	23.3
239.56099	8.5
256.40686	8.4
270.63470	9.2
271.13129	10.5
293.08774	100.0
463.88019	10.7
528.82721	9.2
565.22729	15.7
601.20337	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98821	5.3
63.15162	1.3
63.30810	1.3
69.03438	1.7
69.23950	9.2
71.01385	28.2
72.99334	1.5
73.02946	68.2
83.01391	13.1
85.02954	7.7
89.02448	13.1
95.01380	2.4
96.96021	2.2
97.02933	1.7
98.22603	3.4
99.92587	4.1
100.93380	3.4
101.02446	51.6
103.88388	1.4
111.80795	1.7
113.02444	24.2
113.79000	1.4
115.92060	2.9
116.92858	5.3
119.03490	8.9
119.05052	3.7
125.02471	2.0
126.51575	1.7
131.03516	6.2
140.47620	1.5
143.03534	7.2
149.04536	15.1
161.04564	30.8
179.05653	8.3
203.05573	3.7
221.06627	21.4
266.39063	1.6
294.17795	1.7
339.87134	1.6
545.44830	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01378	100.0
61.98822	7.9
65.85959	1.5
71.01376	30.1
72.99293	2.1
73.02943	64.4
83.01393	14.0
85.02956	8.6
85.12841	1.4
87.00887	1.9
88.86485	1.4
89.02426	17.0
95.01395	2.3
96.96023	2.9
97.03009	1.8
99.92575	4.9
100.93362	4.7
101.02438	51.1
109.02966	1.8
113.02455	27.6
115.92079	3.4
116.92870	13.7
119.03513	9.2
125.02497	2.7
131.03525	5.2
135.04524	1.9
143.03516	7.7
149.04550	14.9
150.03206	2.5
161.04543	31.4
163.03995	2.8
165.05597	6.2
167.57195	1.7
179.05655	9.0
191.05605	3.5
203.05574	2.7
219.96010	1.3
221.06647	24.6
325.09323	1.7
567.81976	1.9
601.16064	3.4
601.24298	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	601.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91662	1.1
59.01379	100.0
61.98824	8.2
61.99091	1.1
67.69646	1.3
69.03461	4.1
71.01382	66.8
73.02948	2.7
80.91673	1.7
81.03467	4.2
83.01395	6.5
85.02948	9.4
89.02446	29.7
95.01373	3.0
96.96006	3.8
97.02942	7.1
98.21851	2.1
99.00876	5.0
101.02444	10.0
113.02450	20.2
119.03475	9.1
125.02451	17.0
127.03950	1.5
131.03493	2.7
140.55678	1.2
143.03532	7.3
155.03503	15.4
158.64966	1.1
161.04561	4.8
179.05614	18.7
203.05614	40.4
282.61176	1.4
451.39157	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16411	0.5
55.01861	1.2
57.03445	1.2
59.01376	21.1
60.01677	0.5
61.98824	6.3
67.05513	0.9
68.99815	0.6
71.01382	8.5
72.99325	0.6
73.02945	2.0
80.02660	0.5
80.91665	0.6
81.03493	0.7
81.75182	0.5
83.01379	1.6
85.02950	2.4
87.00893	1.1
89.02441	5.6
93.03445	1.6
95.05022	7.6
96.95992	1.3
99.00858	0.6
99.04494	0.9
99.92580	0.6
100.93335	0.9
101.02443	5.0
107.01388	0.6
109.02945	0.8
111.04498	0.7
113.02475	3.3
113.06107	0.6
116.92859	3.9
119.03501	3.0
124.01597	0.9
125.02412	0.6
127.03997	0.7
129.05577	0.8
139.04010	100.0
140.04317	2.3
141.04456	0.6
143.03531	1.3
151.00356	1.6
152.01120	0.7
159.03033	0.7
161.04585	1.0
161.13379	0.7
173.04544	0.8
178.99829	3.0
179.05630	1.2
187.11266	2.7
191.05598	2.3
201.04030	1.1
203.14374	0.6
205.12294	2.8
215.07153	0.5
219.13872	0.8
229.12268	1.7
229.40782	0.6
247.13408	1.6
265.09268	13.6
290.68011	0.5
309.11865	1.5
311.88660	0.6
351.12900	1.5
354.89627	0.7
379.08133	1.7
381.24139	0.6
397.09201	1.3
453.21274	4.6
454.21790	0.6
497.20319	0.8
541.25775	1.1
557.22546	2.4
601.15741	2.6
601.25970	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	601.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41924	1.0
57.03437	1.9
59.01377	100.0
61.98811	5.0
69.50229	3.5
71.01379	34.7
73.02949	9.4
83.01385	4.2
85.02949	11.3
87.00879	13.4
89.02441	15.6
92.58405	1.1
95.01370	2.5
96.96020	1.7
98.21866	1.0
99.00887	2.6
101.02447	18.6
108.10413	1.1
109.02935	2.0
113.02442	15.7
119.03486	8.3
124.24249	1.1
125.02407	3.1
127.05149	1.1
131.03459	1.3
137.02419	1.2
143.03481	2.6
151.04013	1.9
152.01108	2.3
153.05513	1.3
159.02946	2.9
161.02428	2.0
161.04555	22.6
179.05687	5.4
191.05569	3.2
277.96677	1.0
303.16046	1.1
317.17532	1.3
325.91745	1.1
336.89636	1.0
347.14908	2.7
379.17654	13.5
388.48413	1.2
475.04681	1.1
541.22186	10.9
559.27325	3.4
565.28650	1.9
578.81519	2.2
583.30945	1.2
601.25067	5.8
601.34119	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	601.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.4
59.32904	0.9
61.98828	36.9
66.60925	0.9
67.05512	1.4
69.36520	1.8
69.36903	2.4
71.01379	2.4
73.02975	1.0
81.83875	0.9
83.01358	0.8
84.74017	0.9
85.02939	1.6
89.02442	1.9
90.71395	1.0
95.05025	10.8
96.96013	2.2
98.22697	1.5
100.93355	1.1
101.02419	2.1
113.02446	1.4
113.13669	0.9
116.92856	3.4
139.04013	100.0
140.04338	2.0
152.01038	1.0
191.05638	1.3
202.89796	1.0
250.41228	0.9
437.61386	0.8
547.79993	1.0
558.16992	0.9
590.11963	1.0
601.16370	1.6
601.28717	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	601.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03438	0.5
59.01379	4.2
61.98828	8.7
65.03951	0.4
67.05509	1.0
68.99811	0.8
69.03464	0.5
69.05709	2.5
71.01380	2.7
73.02932	0.5
78.09713	0.4
79.25905	0.3
80.99442	0.4
81.03447	1.2
83.01385	0.4
85.02951	1.3
87.00861	0.6
89.00735	0.4
89.02419	1.2
93.03438	1.1
94.83894	0.4
95.05030	9.9
96.96021	1.6
101.02441	1.5
109.02889	0.5
113.02441	1.2
116.92870	1.0
118.96658	0.4
128.03520	0.4
139.04012	100.0
140.04341	1.9
146.04599	0.4
151.00418	0.8
151.04083	0.4
159.24852	0.4
161.04555	0.5
167.03499	0.4
173.04597	0.5
180.17749	0.4
184.71991	0.4
191.05655	1.9
205.12413	0.5
227.01999	1.0
300.02554	0.5
353.06458	0.6
557.26025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85643	0.5
55.01870	0.8
59.01377	16.1
61.98836	0.6
67.05526	0.6
68.99815	1.3
69.03454	0.6
69.26642	2.5
71.01379	3.9
73.02937	1.1
74.70609	0.4
80.91673	1.8
81.03453	1.5
82.95420	0.9
85.02951	1.7
87.00876	1.1
89.02450	2.2
93.03458	1.3
95.05034	7.8
96.96012	0.9
98.47759	0.5
99.00874	0.5
100.93340	0.4
101.02438	2.0
113.02448	2.3
113.06178	0.5
116.92862	1.4
118.98105	1.2
119.03472	0.6
135.04572	0.7
139.04008	100.0
140.04332	1.9
151.00319	0.4
159.03035	0.7
161.04539	1.1
161.13347	0.8
173.04515	0.8
179.05612	0.4
187.11234	2.9
191.05598	5.3
199.04117	0.4
201.04095	1.1
205.12308	1.5
264.82770	0.5
265.09329	1.2
265.12878	0.8
271.02493	0.5
283.13226	0.6
299.01886	1.9
300.02667	0.5
369.21857	0.5
417.24982	0.8
453.25830	0.7
487.25067	0.6
497.23822	0.7
504.09204	1.3
534.79309	0.4
557.25854	0.8
601.15497	0.5
601.27979	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	601.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03434	0.5
59.01376	5.9
61.98816	0.7
61.99139	0.3
67.05513	1.0
67.59850	0.2
68.99814	1.0
69.03445	0.8
69.52185	0.4
69.52550	0.9
71.01388	2.7
73.02941	0.5
80.02712	0.3
81.03449	0.9
83.01352	0.4
85.02943	0.9
89.02472	1.5
93.03465	0.7
95.01382	0.3
95.05026	7.4
96.96008	1.0
97.02969	0.3
98.64143	0.3
99.92567	0.5
100.93358	1.1
101.02435	1.1
103.04010	0.4
109.02961	0.4
111.04520	0.3
113.02473	1.3
113.06093	0.4
115.04032	0.5
115.92063	0.7
116.92850	3.1
119.03496	0.5
123.04547	0.3
123.05529	0.2
124.01620	0.6
125.02395	0.3
127.03967	0.3
129.05620	0.2
135.04611	0.3
139.04008	100.0
140.04335	1.5
151.00340	0.3
152.01100	0.3
161.04532	0.4
161.13327	0.4
167.03494	0.9
169.19083	0.2
173.04543	0.4
177.09219	1.1
177.33839	0.3
178.99899	0.3
179.05583	0.5
184.50874	0.3
187.11308	0.6
191.05574	1.3
201.03958	0.3
205.12431	0.6
215.93253	0.3
221.08217	2.3
265.09244	0.8
307.11844	1.4
309.11856	1.7
417.25162	0.4
453.11838	0.3
453.21432	0.6
469.17288	0.7
559.27026	0.3
563.30255	0.4
601.16187	1.8
601.27155	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	602.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03437	1.5
59.01376	43.2
61.98817	2.6
69.03450	0.7
70.05770	0.7
71.01376	23.4
71.05014	2.3
72.99292	0.8
73.02939	2.4
83.01379	1.8
83.05022	0.8
85.02948	6.1
87.00857	0.9
89.01927	1.2
89.02437	14.7
89.66053	0.6
93.03464	0.8
93.33822	0.5
95.01385	2.2
97.06579	2.4
99.00932	0.7
101.02433	12.5
111.08147	2.3
113.02453	8.0
115.07646	3.7
119.03493	4.9
123.17712	0.6
127.11267	4.0
131.03424	1.0
133.03017	0.6
139.04034	5.3
140.04315	2.2
148.02409	0.6
149.92868	0.6
156.10271	2.2
158.11871	1.8
159.74843	0.7
161.04500	0.8
165.12820	9.2
169.12318	5.3
173.04552	1.1
182.15433	0.6
183.13855	2.2
191.05623	2.3
201.04088	1.0
209.11819	9.6
211.71750	0.6
218.97693	0.7
219.17575	0.8
224.16586	2.2
227.12875	16.2
233.72403	0.7
239.16573	1.2
245.13948	1.5
270.17017	7.0
281.17746	1.1
281.21127	1.7
288.18134	2.5
307.19052	0.9
327.21686	2.0
335.77396	0.7
389.18002	4.8
407.19107	4.4
422.28885	2.3
450.23468	3.8
461.23956	0.8
486.27191	1.2
487.25824	0.9
489.27017	6.7
504.28094	4.0
559.30707	1.1
602.35443	100.0
603.35620	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	602.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09768	1.3
61.98830	100.0
69.19197	8.6
107.84225	1.6
110.07548	1.5
129.17424	1.3
135.77260	1.5
162.56398	1.5
191.61116	1.5
224.38838	1.6
357.74811	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	603.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.1
61.98840	1.5
71.01380	5.8
71.43862	0.3
72.99301	0.5
73.02940	1.0
82.95406	1.2
83.01390	0.7
84.93865	1.3
85.02948	1.8
87.00890	0.7
87.04461	0.4
89.02445	3.1
90.71738	0.3
90.89603	0.3
93.03423	0.4
95.01400	0.3
95.05018	0.8
96.96009	3.5
97.02944	0.3
97.06613	0.3
98.95565	1.7
99.00876	0.8
99.92578	14.2
100.93350	8.2
100.93963	0.6
101.02461	3.1
101.93343	0.4
103.00382	0.5
113.02422	2.2
113.86743	0.3
114.93433	0.6
114.94971	0.3
115.92075	15.0
116.92858	100.0
117.92854	1.5
117.93616	0.5
119.03467	1.5
125.02444	0.3
126.94948	0.3
137.02457	0.4
139.03992	5.8
139.11234	0.3
140.04378	0.4
140.92810	0.7
141.93692	0.7
142.94423	3.2
143.03555	0.4
154.94435	0.4
156.92244	0.7
158.93903	0.7
161.04506	0.7
167.14284	0.4
170.93980	0.4
173.04503	0.6
173.92668	0.6
174.93329	0.4
179.05545	0.3
184.91820	1.7
184.95442	0.6
186.93410	0.6
191.05579	0.7
209.11731	0.5
219.06549	0.3
224.16719	0.3
224.94879	0.4
225.05562	0.5
227.12909	0.4
240.07877	0.6
242.95992	1.1
243.96825	0.6
253.82814	0.4
255.10258	2.9
281.26627	0.3
284.97037	0.4
327.21698	1.3
339.03195	0.5
371.02197	0.8
373.98953	0.3
399.14941	0.3
440.15134	0.3
473.31256	0.4
481.05872	0.7
489.27017	6.5
499.07114	2.7
499.28918	0.3
517.08221	2.3
517.30145	0.4
529.08173	0.9
541.07922	1.8
559.09131	3.5
559.31195	7.6
560.09082	0.3
567.05890	1.5
602.35541	5.0
603.08136	9.8
603.17334	0.7
603.35175	2.6
604.08722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22338	1.6
62.20897	1.5
69.09757	8.1
71.01385	11.0
83.01392	2.3
88.58677	1.4
89.00374	1.7
107.05045	2.0
113.03413	1.6
115.00333	5.9
121.02954	29.3
125.02421	8.0
137.02417	9.4
138.03166	2.2
140.97281	1.5
149.02419	2.5
151.03989	6.4
153.05565	19.3
161.02415	7.2
163.04047	1.7
177.01833	2.1
182.02184	2.9
191.05621	1.8
197.04539	100.0
203.07196	1.5
289.07153	3.0
305.72794	1.7
311.05475	2.5
312.05844	2.2
313.05649	8.2
315.08405	1.7
354.83606	1.9
366.38660	2.1
433.09128	6.6
451.10535	8.7
603.09821	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	603.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.3
59.90398	1.0
61.34835	1.0
61.98812	3.0
69.58260	3.7
71.01382	2.5
77.00757	0.9
85.02959	1.9
87.00900	1.1
89.02420	1.3
96.95993	2.2
101.02408	1.3
113.02465	1.6
120.01213	1.0
120.46376	0.9
135.04565	1.2
137.02379	1.4
146.06094	2.5
162.03299	1.2
177.05641	1.3
191.05574	2.9
219.10248	3.4
223.07692	1.4
235.07703	2.3
237.05568	2.8
239.07272	1.4
245.06200	1.1
249.05475	2.1
251.07066	3.7
253.05025	1.3
262.06314	1.1
263.07013	1.6
266.05835	1.0
266.09399	1.6
267.06613	11.1
277.05045	1.8
279.06607	31.0
280.07208	1.4
281.04611	1.8
290.05966	1.1
291.06635	14.3
292.07355	3.2
293.08191	2.1
294.05658	1.7
294.08911	6.6
295.06085	29.5
306.08963	12.3
307.06119	43.7
307.09451	1.8
308.06430	1.8
309.07877	1.5
310.08459	36.0
311.08911	1.4
321.07504	3.3
322.08466	26.2
323.08871	1.3
325.10785	73.5
326.11108	2.7
337.10791	100.0
338.11115	2.2
381.15521	1.8
543.27612	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	603.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23697	0.6
59.01374	2.4
60.99285	0.8
61.98829	8.3
67.01882	4.0
69.03436	1.2
70.14802	1.4
71.01379	1.8
73.02943	1.9
81.03464	1.6
83.05016	2.9
85.02946	1.9
87.00895	1.8
89.03997	0.8
91.05531	0.8
93.03452	22.4
96.96033	1.1
109.02964	1.7
110.65823	0.5
111.00895	1.7
111.04520	19.8
116.92854	0.8
117.03469	1.0
119.01415	1.0
119.05025	0.7
121.02953	10.7
125.02418	0.5
127.04044	1.5
132.02156	1.1
134.03760	0.8
135.04591	1.2
137.02449	16.6
147.00928	1.5
147.04521	4.2
149.02440	62.1
150.02802	0.9
155.03496	39.9
156.03954	0.9
163.03992	2.4
164.04793	48.0
165.05232	0.9
173.04543	86.5
174.04906	1.7
175.00365	8.6
177.01915	0.7
179.07120	5.3
190.02715	28.2
191.05602	1.0
193.01421	1.7
200.83794	0.6
205.05051	30.1
208.03712	3.7
221.08156	0.8
223.06102	55.3
224.06483	1.4
238.94398	0.5
247.38177	0.5
249.99294	0.5
284.06836	0.6
299.09305	1.1
309.11258	0.6
335.11359	1.5
349.05716	0.7
353.80466	0.6
364.08023	2.8
379.10315	100.0
380.10602	3.8
397.11322	15.7
398.11749	0.8
443.30069	0.7
603.16974	21.4
604.17865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.9
61.98824	1.5
69.38190	2.4
71.01380	1.9
73.02949	0.5
79.01874	0.6
82.95406	1.0
83.01382	0.9
84.95134	0.8
89.02393	0.5
91.05515	0.9
95.01350	0.6
101.02438	1.2
116.92841	1.9
119.04978	0.9
121.02942	1.0
123.04522	0.6
135.04526	2.2
146.03758	0.9
147.04515	0.8
149.02440	1.7
150.03204	1.7
151.03801	0.6
159.04471	0.9
161.02466	1.2
162.03276	0.6
163.04010	1.7
164.04799	1.0
171.04521	0.7
173.02492	0.8
173.04553	0.8
175.03958	1.0
179.03461	0.9
183.08093	0.7
189.01964	0.7
191.03453	2.3
191.05394	0.8
195.06551	0.6
203.03551	0.6
207.08232	0.6
215.03537	1.1
221.04497	0.7
248.08398	0.6
249.09167	0.6
261.09177	0.6
263.06796	0.6
277.08597	1.2
278.09402	2.3
278.76059	0.6
293.08136	2.5
305.08157	3.3
306.08908	4.6
307.09741	20.9
308.10056	0.6
317.08078	2.2
319.09650	1.9
321.07584	2.5
329.65646	0.5
333.07721	2.9
334.08380	2.3
335.09186	9.4
338.07971	1.0
345.07425	1.0
347.09280	2.4
361.07245	0.7
363.08719	46.6
364.08987	1.8
365.10263	0.8
366.07547	1.2
375.08798	3.6
379.10709	0.6
393.09781	25.3
394.10272	1.1
405.09784	3.4
405.14526	0.5
407.11386	1.1
423.10742	1.1
427.34601	0.6
435.10666	0.6
483.12872	10.7
484.13104	0.6
513.13770	3.2
603.17151	100.0
604.17468	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	603.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36791	2.9
58.10553	3.2
59.01378	14.6
71.01379	7.9
73.02930	3.8
80.91678	5.1
85.02934	5.1
89.02457	3.9
93.03432	3.9
96.95994	4.7
101.02448	4.5
103.45141	2.8
109.02932	5.4
119.05100	3.1
121.02948	3.7
127.47057	3.0
135.04590	3.5
147.04471	9.0
150.03209	5.3
165.05574	100.0
189.09303	4.1
191.05647	5.2
195.06592	10.3
201.09171	8.4
219.10237	23.0
266.20288	3.4
266.62738	3.1
327.10822	50.3
337.44107	3.6
344.12869	4.4
359.15021	10.1
366.10773	6.9
381.13144	10.1
521.20178	24.4
543.18323	24.2
567.20099	3.8
586.00494	3.6
603.22632	15.0
620.11786	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24601	0.9
55.01876	2.0
57.03436	1.4
59.01377	100.0
61.98809	2.3
63.66333	0.7
69.03458	4.0
71.01380	43.0
73.02943	13.3
74.99094	17.0
81.03481	0.9
82.95426	3.0
83.01402	5.4
85.02948	13.2
87.00865	2.3
87.04492	0.8
89.02444	36.5
89.86688	0.7
92.69333	0.7
93.03473	1.8
95.01364	4.6
96.96004	0.8
97.02905	1.2
99.00870	2.2
101.02441	29.0
113.02448	41.8
116.92837	2.2
118.46394	1.0
118.98086	80.1
119.03498	16.0
121.02953	1.8
125.02456	3.1
131.03516	4.1
135.04500	1.5
139.04001	4.4
140.04315	0.9
143.03484	5.6
149.04556	2.1
161.04555	8.5
161.13351	2.0
173.04561	1.3
179.05594	15.2
183.81721	0.8
187.11237	2.6
189.05586	1.9
191.05646	2.4
205.12357	4.7
213.12865	2.9
221.06502	0.9
247.11588	2.7
267.10754	7.2
272.61447	0.9
291.10626	5.2
309.11551	4.0
313.70874	0.8
315.44907	0.8
455.22824	2.3
460.15927	0.9
471.16968	7.8
483.22427	1.3
489.17969	31.1
489.25235	1.6
499.21860	1.2
499.28970	0.8
543.28113	15.2
559.24329	1.7
561.29126	21.4
585.20135	2.9
590.87897	1.0
603.21216	39.2
603.30518	3.7
604.21118	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	603.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
61.98830	100.0
67.59151	0.4
69.25948	2.2
71.01393	1.0
78.43040	0.4
85.38902	0.4
93.03497	0.6
98.22598	1.0
101.02424	0.7
104.73152	0.5
113.02456	0.9
116.92835	0.7
118.41171	0.4
123.53509	0.4
139.03998	2.0
169.12402	0.8
171.10298	0.6
191.05550	0.6
559.30981	0.5
603.30371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03443	1.9
58.23382	1.4
59.01376	100.0
61.56990	1.5
61.98816	6.1
69.03436	1.4
71.01374	17.2
73.02937	9.0
83.01383	3.6
83.31396	1.3
85.02957	9.0
87.00867	3.9
87.86676	1.3
89.02442	12.0
93.03455	2.0
96.95966	3.1
99.00861	1.8
101.02431	18.2
103.61446	1.3
111.04471	1.7
113.02448	13.2
116.92856	2.8
118.19483	1.4
119.03465	4.7
121.02912	1.7
125.02498	1.7
135.04483	2.2
139.03984	5.2
143.03502	2.9
161.04543	8.1
161.13358	16.1
173.04556	2.6
187.11267	23.8
191.05579	6.5
205.12318	33.5
247.13377	1.6
249.11511	1.8
267.10828	38.2
297.11230	2.9
455.22800	12.3
471.19080	2.3
499.22290	9.7
517.22693	3.2
543.17261	1.4
543.27820	6.2
559.23962	14.4
561.29578	8.4
603.21655	2.1
603.30829	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	603.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60038	0.8
59.01363	2.7
61.98831	4.5
65.06405	0.8
71.01383	1.2
82.95411	1.4
90.85781	0.9
93.03463	1.2
95.46294	0.8
96.96015	1.8
101.40792	1.0
108.53602	0.8
116.92850	1.0
121.02966	0.9
123.04504	0.8
151.73256	0.9
155.03503	1.0
164.04790	20.9
165.05333	0.9
173.04573	1.0
191.05531	1.0
196.03729	4.8
204.07819	1.0
219.10260	100.0
220.10530	2.5
223.07690	0.9
230.62614	0.9
234.44757	0.8
241.12238	0.9
243.06534	3.3
264.55731	1.0
267.06653	1.4
279.06635	6.9
291.06467	3.4
293.07770	1.1
295.05978	6.2
306.08691	1.9
307.06082	8.3
310.08481	7.1
321.07709	1.5
322.08450	5.9
325.10733	13.0
326.11374	1.0
337.10809	19.6
381.15524	56.0
382.15762	1.8
405.11560	1.2
603.19458	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	603.2429
Annotation	13-O-Deacetyltaxumairol Z
Peak:m/z	Relative Intensity
50.52402	1.7
51.76937	1.7
59.01375	5.0
65.80009	1.8
68.72267	1.9
70.94482	2.2
70.97618	1.7
71.01396	2.9
79.78360	1.6
89.02450	3.6
113.02458	2.9
139.28166	1.9
162.60074	2.2
165.05626	2.4
179.05617	2.8
191.05595	2.4
195.06511	2.5
403.91263	2.0
489.14426	2.2
489.63309	1.9
567.26825	4.9
603.24323	100.0
604.24536	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	603.2483
Annotation	(+)-Cycleatjehenine
Peak:m/z	Relative Intensity
59.01381	1.4
61.98825	1.2
70.29105	1.5
70.29436	1.2
70.84118	1.0
77.70547	0.8
79.95742	2.4
81.76797	1.0
93.03410	1.1
96.96009	59.1
134.03680	1.0
174.84009	0.9
191.05618	2.4
275.65659	1.0
347.84293	1.1
399.18427	69.4
400.18860	3.2
489.27011	1.6
544.71405	1.1
603.24811	100.0
604.25427	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03448	1.3
58.00585	1.1
59.01377	100.0
60.01722	0.4
61.66966	0.2
61.98828	0.6
62.59628	0.2
63.75500	0.2
69.03468	0.6
69.07023	1.5
71.01379	47.7
72.01730	0.3
72.99299	0.9
73.02943	11.7
73.38596	0.2
81.03436	0.3
82.95422	0.3
83.01383	3.8
84.02146	0.3
84.93835	0.3
85.02946	13.7
87.00874	3.1
87.04484	0.2
89.02441	35.2
93.03447	0.2
95.01386	5.4
96.96006	0.5
97.02967	0.6
98.34794	0.2
98.95601	0.5
99.00889	1.7
99.04538	0.4
99.92579	1.7
100.62610	0.2
100.93362	2.0
101.02438	24.8
102.02819	0.3
102.24888	0.2
111.00870	0.4
113.02448	38.0
114.02754	0.4
115.04045	0.2
115.92075	2.5
116.92860	12.7
117.92870	0.5
119.03499	16.2
124.01657	0.6
125.02448	1.8
128.17442	0.2
131.03506	2.4
139.04022	0.8
142.39391	0.3
143.03493	4.7
149.04576	2.0
155.03477	0.2
159.03003	0.6
161.04552	10.8
161.13264	0.2
173.04591	0.4
179.05609	9.7
187.11266	0.5
191.05586	0.6
205.12263	0.6
236.07080	0.2
267.07108	0.3
267.10794	0.7
349.30969	0.3
381.22690	0.5
399.23639	1.2
423.23679	0.6
455.18631	0.4
481.15317	0.3
499.21976	0.3
523.16205	0.5
543.28088	26.7
544.28473	1.6
559.18610	0.9
561.29138	19.8
562.29614	1.2
603.17499	2.8
603.30786	1.1
604.17322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03429	2.5
57.94313	2.0
59.01381	91.6
61.98833	3.0
62.86700	1.9
67.72583	2.5
71.01381	22.9
73.02931	7.9
82.95400	9.1
83.01360	5.6
84.46509	1.9
85.02966	11.9
87.00874	3.0
87.04529	3.7
89.02451	10.2
99.00872	2.6
101.02438	18.0
111.00867	2.3
113.02451	10.1
116.92783	1.9
119.03471	2.0
132.60605	2.1
139.03984	7.2
161.04529	2.7
180.25887	2.2
186.22232	2.6
191.05528	3.7
191.07155	3.7
209.11751	4.0
227.12863	2.1
294.45474	2.1
311.25851	2.5
327.21674	5.5
455.30115	6.3
473.30981	11.4
489.27112	20.0
490.27423	2.1
502.07962	2.6
559.31250	100.0
560.31866	3.5
603.36407	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30344	1.1
60.99297	13.0
61.98817	3.4
69.27152	6.0
76.70953	1.2
78.95888	3.2
85.00408	1.6
87.00874	7.4
88.01237	1.2
88.98801	82.2
89.02439	100.0
96.96004	6.5
102.22303	1.3
148.90997	1.9
175.01184	1.1
178.98959	1.3
293.07578	1.3
603.20178	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44949	1.6
59.84252	1.4
60.99305	10.1
71.01395	1.5
71.25198	1.5
73.40820	1.4
78.95868	1.9
87.00883	4.4
88.98808	58.3
89.02442	100.0
103.92024	5.8
122.77190	1.7
122.89365	1.6
148.90984	7.5
211.16272	1.7
249.93347	2.1
295.32053	1.6
324.97772	3.2
332.87552	1.5
349.14807	1.6
603.20093	10.2
604.19727	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	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96486	0.3
60.99305	4.7
61.94643	0.3
62.51396	0.3
69.07967	2.4
71.01379	0.6
87.00877	3.4
88.00377	0.9
88.98808	29.2
89.02444	100.0
90.02783	0.9
103.92031	0.5
118.51192	0.4
148.90933	0.9
208.49255	0.4
220.08670	0.4
268.42001	0.4
309.92865	0.4
324.97534	0.4
539.89288	0.4
603.20111	1.4
604.19867	0.5
619.99994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29327	0.6
58.69448	0.7
59.01378	35.8
61.98830	1.9
65.64460	0.7
69.76402	0.8
70.42362	1.3
80.02679	1.5
81.03448	0.8
82.76460	0.9
83.05016	2.7
84.02186	0.8
93.03462	0.9
95.05019	0.7
96.96001	1.0
115.57501	0.6
125.09718	0.8
135.08076	0.7
137.02516	0.8
163.11292	2.8
165.12802	2.1
165.49606	0.6
167.18941	0.7
171.10254	6.0
183.26788	0.7
191.05568	1.5
209.11818	100.0
210.12170	2.5
227.12868	10.3
247.13466	1.0
265.14685	0.9
381.79337	0.7
475.26865	1.4
493.27988	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	604.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
59.01391	2.8
66.80296	1.0
69.03449	3.7
70.02964	2.0
71.01385	2.8
72.00902	1.4
73.02930	1.3
78.95901	4.4
84.04522	1.3
85.02948	46.4
87.04520	6.1
94.02967	2.1
95.01420	1.0
96.00911	1.2
96.04551	100.0
96.96004	3.3
96.96973	3.8
97.02964	5.4
98.02500	2.7
98.95600	4.9
98.97421	1.2
99.00862	2.4
110.02498	1.0
111.04524	1.8
112.04026	3.5
113.02454	1.2
114.05611	1.5
115.03992	2.6
122.02497	1.2
126.05602	2.7
128.03558	7.8
129.01959	9.6
138.05687	1.2
140.03569	2.5
141.01927	3.4
142.01448	16.6
158.04575	37.6
159.02974	2.7
172.02515	2.9
200.05617	1.5
201.04063	1.3
202.03532	16.7
218.06664	3.7
219.05017	4.8
262.05661	59.3
289.72763	1.0
315.21432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69729	0.4
61.98829	100.0
69.10996	3.2
90.29607	0.5
93.40762	0.5
130.29704	0.5
136.03548	0.5
166.07658	0.5
349.55701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.6
61.98816	2.0
70.02965	0.9
71.01025	0.9
71.01383	13.6
83.01388	0.9
83.05019	4.6
85.02923	3.8
89.02441	8.6
95.01379	1.2
98.02422	1.2
98.22630	2.8
101.02428	7.7
106.12448	0.9
108.08173	1.6
109.06556	1.5
113.02425	4.9
119.03503	2.8
126.09239	1.7
154.08736	1.0
174.02031	0.9
225.22203	7.3
270.24185	1.3
291.31650	1.2
321.07544	0.8
368.07562	0.9
424.30658	0.9
469.54675	1.1
604.36987	100.0
605.37207	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	604.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90712	55.3
53.80939	39.5
53.81192	49.8
60.45616	41.4
70.08961	39.2
70.49099	100.0
70.51226	39.5
83.26641	44.7
101.90548	44.4
149.15013	44.0
285.85620	48.9
312.64087	44.5
361.46692	49.1
417.69464	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
63.19955	0.2
69.35041	0.8
71.01387	0.7
81.14000	0.2
82.90947	0.2
82.95410	4.1
84.93873	1.2
86.16270	0.2
87.00884	0.4
96.96005	2.2
98.95585	1.5
98.96481	0.4
99.92580	12.6
100.29564	0.2
100.93360	10.5
101.02378	0.4
103.00383	0.4
106.04234	0.7
112.58790	0.3
115.92079	12.7
116.92860	100.0
117.92876	2.1
124.93345	0.3
126.94955	0.4
128.92867	0.4
133.85637	0.2
139.04022	1.0
140.04375	0.3
140.92854	1.0
141.93655	0.7
142.94414	3.6
153.27454	0.3
154.94414	0.3
155.22108	0.3
156.92352	0.6
158.93915	0.8
169.93106	0.5
170.93936	0.5
174.11650	0.3
174.93365	0.3
184.91881	1.5
184.95413	0.4
186.93491	0.4
196.95525	0.9
205.14607	0.3
224.95007	0.3
228.98038	0.3
242.96014	0.8
243.96828	0.4
257.11826	2.4
284.97064	0.5
285.97760	0.5
286.99118	0.3
303.37970	0.2
341.04819	0.4
373.03809	1.3
483.07489	0.8
484.08127	0.3
501.08533	3.3
519.09509	2.8
531.09546	0.8
543.09619	2.2
561.10596	3.9
561.32892	0.8
569.07642	2.1
587.09888	0.4
605.09625	9.7
605.35309	0.7
606.10144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
60.54208	1.0
69.03461	2.3
69.23611	3.9
81.03448	2.5
83.01376	6.0
86.65156	1.0
93.03453	3.9
94.74885	0.9
95.01382	1.5
95.05021	2.9
97.02946	20.3
97.03568	1.3
108.02126	4.6
108.33360	0.9
109.02959	6.9
111.55911	0.9
111.79751	0.9
120.02158	2.0
121.02942	5.4
122.03745	8.5
123.00887	1.0
123.04511	3.3
124.01662	4.6
125.02442	42.6
127.10614	1.0
132.02158	1.5
135.04433	1.4
136.01674	1.1
137.02434	53.0
137.03484	2.5
138.03239	3.3
139.04005	3.7
148.01631	6.7
149.02431	4.1
150.03206	3.7
151.04001	2.3
153.05571	3.6
159.04553	1.3
160.01657	6.1
161.02408	5.0
162.03238	1.3
163.00357	9.0
163.04002	8.4
164.01147	31.6
165.01935	14.2
165.05542	2.0
166.02660	2.9
167.03389	3.0
174.03230	1.2
175.03989	3.5
176.01099	2.0
177.01915	12.2
177.05531	1.0
178.02631	2.0
179.03418	2.6
187.04002	1.4
191.05588	3.2
199.03844	1.3
200.04712	1.8
201.05493	2.8
202.06325	3.7
204.04265	4.1
205.01414	3.0
213.05585	1.6
215.07117	1.6
217.04947	1.3
217.08702	2.6
218.05682	1.4
219.06618	2.9
220.07416	7.5
235.09718	4.0
243.03041	1.2
243.06477	1.2
244.07422	7.2
258.05362	1.2
259.09677	2.0
261.07697	2.4
269.04645	1.1
270.05161	1.6
283.06088	2.0
286.04825	19.6
288.06436	1.4
301.07135	45.9
302.07678	2.2
303.08716	100.0
304.09189	2.4
315.08652	1.3
342.07367	7.4
343.08115	3.5
353.10168	1.9
395.11414	1.4
421.09146	1.3
439.10403	9.4
467.13760	4.7
479.13376	14.4
561.17596	1.8
587.15479	3.1
605.16559	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	605.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.1
59.01372	3.5
61.98820	6.6
69.03460	2.7
69.29823	4.4
69.30218	3.2
71.01374	1.7
78.01099	1.6
78.87478	1.4
79.29618	1.4
81.03436	1.6
83.01390	9.9
87.00837	2.1
89.67009	1.4
93.03468	6.2
95.04967	2.6
96.95975	1.9
97.02949	14.5
108.02154	4.8
109.02956	13.8
113.02442	2.8
120.02121	3.5
121.02937	4.8
122.03745	7.2
123.00851	1.4
123.04527	3.6
124.01654	13.4
125.02444	43.3
125.51640	1.4
132.02193	3.4
134.03740	2.0
137.02438	100.0
137.48083	1.5
138.03180	2.0
139.03993	5.5
148.01706	6.7
149.02467	3.0
150.03212	5.9
153.05577	4.4
154.09793	1.4
160.01642	16.0
160.05180	1.5
161.02411	12.6
162.03127	1.8
163.00365	2.6
163.04013	10.9
164.01147	41.4
165.01921	20.6
165.05542	4.0
166.02711	1.8
167.03488	1.4
175.03984	7.4
176.01086	1.8
177.01956	5.5
179.03526	2.2
187.04016	1.7
188.04887	2.3
191.05536	3.5
199.03894	2.2
200.04778	4.8
201.05653	1.9
202.06339	3.0
203.90645	1.3
204.04259	3.1
213.05385	1.8
216.04323	1.6
217.08701	2.8
218.05775	3.6
219.06601	4.0
220.07359	6.0
222.47227	1.5
225.05421	1.8
229.04977	1.7
235.09782	5.0
240.04051	1.6
241.04900	2.1
242.05830	2.1
243.02829	2.7
244.07362	5.9
259.09674	3.5
261.07724	1.9
268.03729	2.2
269.04440	3.4
270.05179	2.2
281.04532	2.3
283.06146	2.7
285.07739	4.0
286.04810	53.2
287.05289	2.7
296.07037	1.6
299.09210	3.3
301.07153	99.5
302.07608	3.3
303.08716	90.4
311.09183	4.6
343.08054	1.6
353.10507	1.7
395.11688	1.7
439.10373	9.1
441.97580	1.5
479.13242	3.3
543.16589	2.3
587.15704	8.5
605.16492	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	605.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	44.6
61.98821	4.2
69.27565	9.6
71.01380	10.7
73.02946	29.6
75.45935	1.6
76.39164	1.9
83.01382	7.3
84.95117	2.7
85.02985	3.4
87.00890	2.8
89.02448	2.4
93.03424	1.7
96.96014	3.0
98.21863	3.4
101.02454	18.9
113.02457	8.4
119.03472	2.9
121.02954	5.3
122.03745	3.1
134.03712	1.7
136.01657	68.9
149.04498	3.3
149.06093	3.1
151.04004	93.0
152.04337	1.9
154.66330	2.0
160.05212	2.0
161.04585	8.4
184.23666	1.8
191.05594	4.4
203.07037	2.6
221.06567	3.5
291.42242	1.8
293.08466	2.2
309.11145	4.6
327.11856	2.4
339.12299	5.3
342.10922	5.3
357.13409	100.0
358.13647	5.7
469.23135	1.8
543.18915	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	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.6
61.98825	1.3
68.52977	1.4
69.09464	7.5
75.00906	1.6
79.20346	1.2
82.95406	10.5
84.64819	1.2
90.35676	1.3
92.30521	1.2
96.96089	1.5
98.21856	2.1
101.02425	1.3
105.01901	3.4
121.02931	4.3
135.04449	1.7
152.04829	2.5
175.03998	5.6
190.06372	5.0
205.08723	2.2
221.06047	1.6
222.05353	3.3
235.07719	2.1
243.10291	11.8
250.10884	1.2
251.07176	3.0
253.08650	2.5
263.07190	3.4
267.06641	3.2
269.08231	5.8
278.09671	1.9
279.06567	4.5
280.07199	1.7
281.08154	9.7
291.06540	1.8
293.08209	3.9
294.08966	4.1
296.10544	1.5
297.07678	27.4
297.10892	1.7
308.10431	3.1
309.07782	39.7
309.11292	8.8
312.09991	25.5
323.09128	2.5
324.09991	27.5
327.12375	100.0
328.12698	2.4
339.12347	77.5
340.12674	3.2
400.11804	1.6
405.15479	9.0
422.57816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96796	1.2
59.01382	3.5
61.90565	1.4
64.41028	1.1
71.01386	1.7
72.99313	3.0
95.25609	1.2
97.19727	1.3
98.21786	2.6
111.77984	1.5
122.03735	13.7
136.01634	5.5
149.69798	1.3
161.04652	1.6
169.25301	1.4
177.09193	48.3
184.95416	1.7
187.72992	1.5
189.41934	1.5
191.05652	2.6
193.05545	1.3
218.87781	1.5
221.08186	100.0
222.08470	2.5
327.40909	1.5
328.16705	1.5
377.01624	1.9
383.13446	84.5
384.13654	3.7
395.31778	1.7
605.13324	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63800	0.6
55.01866	1.7
57.03434	2.7
59.01377	90.9
60.01700	1.0
61.98818	1.5
67.69392	0.6
69.03441	0.8
69.16503	1.4
69.16915	2.9
71.01382	31.7
72.01719	0.9
73.02943	12.4
82.95411	8.0
83.01383	4.9
85.00402	1.0
85.02451	1.2
85.02948	14.5
87.00880	2.0
89.02441	14.0
93.03435	0.8
95.01374	3.4
95.05007	0.7
96.95996	0.9
97.02936	1.0
97.06573	0.9
99.00858	2.2
101.01795	1.2
101.02441	18.2
109.02934	0.7
111.00886	2.0
111.04489	1.2
112.01686	1.2
113.02447	19.6
114.02762	0.9
115.03945	0.8
116.92854	1.7
119.03528	4.2
121.10248	1.1
124.01665	1.2
125.02425	2.2
125.09698	1.0
127.11290	0.9
131.03508	0.7
134.03848	0.7
135.04543	1.4
136.56036	0.6
137.09602	0.7
139.03990	2.0
143.03511	3.6
149.04526	0.8
151.03983	4.2
155.10837	1.1
159.02899	1.3
161.04573	5.9
171.13869	1.9
179.05609	2.4
191.05562	1.0
193.05084	1.5
193.08600	1.7
200.14203	1.6
203.03458	1.0
218.05882	1.5
229.18137	1.2
233.08284	1.8
237.07654	3.0
321.24365	1.0
339.25317	2.3
344.18277	2.7
357.13364	2.6
357.26382	3.5
362.19424	5.8
394.56125	0.7
396.52173	0.7
465.28839	1.3
483.29895	3.9
491.28589	1.5
501.30676	100.0
502.31107	3.9
519.31689	25.4
520.32086	1.2
543.31317	1.8
545.16864	0.9
545.28516	0.8
561.32837	5.0
563.29797	1.0
605.18665	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
57.03441	3.0
58.23945	2.0
59.01381	74.7
65.47439	2.0
71.01385	23.7
73.02937	8.5
83.01369	3.1
85.02955	12.6
89.02434	3.5
93.07138	3.4
95.01396	2.2
98.22711	3.0
99.00868	2.5
101.02455	14.5
106.04266	2.5
107.04982	3.1
112.01691	2.5
113.02446	14.1
121.20944	1.9
124.01698	2.9
129.79239	2.1
143.03529	2.4
146.57527	2.2
151.03981	3.8
159.03018	2.4
161.04544	4.4
161.13344	2.4
162.06169	2.0
182.62085	2.1
187.11272	2.7
227.16508	7.0
357.26462	2.7
371.20920	4.3
373.22440	2.4
389.21863	16.2
390.22528	4.4
429.24710	2.6
465.28351	2.8
483.29514	3.3
501.30670	100.0
502.30899	6.8
519.31775	37.4
561.33203	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88725	1.0
55.01882	1.6
57.03438	2.4
59.01378	93.1
61.98842	1.5
69.03459	1.4
69.11551	8.0
71.01378	27.5
73.02937	8.6
82.95428	6.6
83.01391	5.9
84.95106	9.5
85.00421	5.9
85.02950	16.9
87.00875	3.4
89.02444	5.5
91.61217	1.2
92.01314	1.2
93.03500	1.5
93.07089	3.7
95.01385	2.8
96.96017	2.6
97.02959	1.9
99.00877	3.9
101.02444	18.9
106.04239	3.5
107.05047	10.3
109.02926	1.3
111.00875	2.0
113.02452	20.8
113.39957	1.2
116.92879	1.2
119.03506	1.7
120.51279	1.1
123.04505	1.2
125.02448	2.6
132.04662	1.1
135.98366	2.2
137.09679	3.3
139.03976	1.4
143.03476	3.0
151.03999	5.6
159.03027	1.6
161.04527	5.1
161.13344	1.4
187.11244	5.3
191.05563	1.6
195.21460	1.1
199.17065	1.7
205.12282	2.5
211.17064	1.3
227.16576	7.8
227.18625	1.2
229.18109	4.0
269.19266	3.1
272.12720	2.0
295.88376	1.3
298.10834	9.3
312.09689	1.2
313.18091	3.0
316.11877	1.8
339.25250	2.1
357.26175	2.6
359.48709	1.3
371.20697	10.9
372.21536	1.7
373.22586	1.7
379.19186	2.8
389.21793	11.6
390.22510	2.6
391.23312	2.2
413.10309	1.5
429.24762	1.9
453.28680	1.9
461.92783	1.3
465.28397	1.9
483.29678	2.5
491.28555	3.5
501.30673	100.0
502.31076	4.7
519.31659	29.0
520.31897	2.1
545.29779	3.2
561.32751	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69251	0.5
55.01874	0.6
59.01377	26.3
60.89273	0.5
61.98832	6.0
69.03441	1.1
71.01383	9.6
71.41887	0.5
72.99315	0.8
73.02946	3.4
81.03452	0.8
82.95377	0.8
83.01373	1.8
85.02947	4.5
85.06614	0.5
87.00873	3.2
89.02442	2.1
93.03448	1.6
96.95985	0.9
97.02918	0.7
99.00878	1.2
101.02441	5.7
109.06561	1.1
111.00874	0.7
111.08168	4.9
113.02458	3.7
115.92070	0.6
119.03464	1.1
125.02435	1.6
127.11256	1.5
129.09229	0.8
137.02408	2.2
137.09642	0.5
139.03947	1.3
143.03514	0.7
157.08730	1.0
161.04541	1.2
171.10297	3.5
185.15413	0.6
187.46616	0.5
191.05617	1.3
191.07185	0.7
199.13525	0.6
209.11824	2.5
210.12144	1.1
257.82788	0.6
309.20654	1.5
321.24420	0.7
339.25229	1.9
357.26474	8.5
358.26956	0.6
465.54428	0.6
483.29376	0.8
485.31329	0.8
501.24033	1.0
501.30768	7.5
519.31738	21.1
520.31818	1.1
543.31274	0.6
543.82965	0.6
561.32764	100.0
562.33209	4.5
569.19849	1.0
605.34259	1.7
606.38757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
57.08103	0.9
59.01377	36.3
60.15461	1.0
61.98827	13.2
69.62534	3.8
71.01376	14.4
73.02950	5.1
82.95406	1.1
83.01415	2.3
85.02946	5.9
87.00864	2.5
89.02444	3.9
93.03458	2.6
95.01393	1.6
96.96001	3.5
97.81927	1.0
99.00849	1.2
100.57928	1.0
101.02422	7.0
102.69855	1.0
109.06579	1.8
111.08157	6.8
113.02439	4.8
116.92799	1.7
125.02466	2.4
135.04494	1.5
137.02412	3.5
139.03984	2.3
143.03474	1.8
157.08810	1.1
171.10268	5.5
173.04588	1.4
191.05618	2.2
199.16994	1.9
209.11813	5.0
210.12265	2.4
253.09222	1.5
309.20728	3.6
321.24286	1.1
330.66403	1.1
339.25388	2.3
355.62653	1.1
357.26456	10.9
426.32141	1.3
485.31088	2.2
501.30441	7.1
503.32202	1.4
519.31689	27.4
520.32184	1.3
561.32739	100.0
562.32800	5.2
605.35675	5.5
605.87982	1.5
606.38574	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	606.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99794	0.8
57.53053	0.9
63.93443	0.8
71.01378	12.6
71.42219	0.8
71.43010	0.8
91.01884	6.5
91.45839	0.8
108.02151	6.1
115.00378	7.2
116.59815	0.8
121.69210	0.9
123.04522	26.3
125.02446	1.9
137.02446	0.9
140.90178	1.0
152.01149	5.6
157.11304	0.8
159.81012	0.9
160.04073	2.3
167.03485	100.0
168.03755	1.5
191.05641	2.3
213.55067	0.9
283.04599	8.3
322.09375	1.0
386.25278	0.9
613.73822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63441	1.3
58.02969	1.8
59.01382	2.4
61.98828	7.1
71.01352	1.8
74.02474	3.9
77.95047	1.2
89.26632	1.5
92.12392	1.3
97.02987	2.1
98.21781	2.4
99.05644	3.9
110.01962	12.5
110.67347	1.4
126.01443	3.8
128.03551	17.1
133.76538	1.6
143.04604	10.4
145.06082	1.6
150.44171	1.4
153.00169	4.6
154.00948	26.1
160.00713	3.3
173.04472	2.6
179.04663	3.0
182.00438	34.9
186.76392	1.5
210.08836	3.6
241.04982	4.0
254.07802	4.8
256.07462	2.0
269.04617	1.9
271.09802	2.8
272.08902	13.2
273.35767	1.4
285.07901	2.0
288.06516	2.2
299.09183	12.8
306.07645	29.0
317.10291	2.0
318.05646	5.4
330.13474	2.4
330.23480	1.6
333.08008	100.0
334.08420	3.6
342.13565	1.5
408.85828	1.8
421.20499	1.5
543.14819	2.1
562.28204	2.3
604.12482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40975	0.2
61.98827	100.0
66.55558	0.2
68.14462	0.2
69.74713	0.5
88.72591	0.2
90.48717	0.2
98.21808	0.2
118.45071	0.2
124.63644	0.2
165.24763	0.2
181.97574	0.2
454.23605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01817	0.4
58.42073	0.4
59.01374	0.8
68.91334	0.4
69.03450	3.7
71.01391	3.1
73.02938	1.1
76.79889	0.4
85.02945	4.0
96.96032	0.6
98.00119	0.5
98.22675	0.9
99.00894	0.4
101.02434	1.6
110.00093	1.8
113.02445	17.4
116.92854	0.7
124.01648	0.6
125.02444	2.8
126.96749	0.4
137.02428	0.7
137.99602	3.0
138.03229	0.5
139.00377	2.5
140.01151	0.6
143.03523	0.5
150.03113	0.5
151.03963	0.7
152.01160	3.6
152.48224	0.4
153.01932	73.7
154.02730	5.4
155.03503	2.7
161.04555	4.6
165.39412	0.4
166.02692	1.2
167.03476	12.7
168.04271	51.3
169.05054	10.7
177.01947	0.5
177.05382	0.5
179.03415	0.9
181.05049	0.8
191.03459	1.2
191.05473	0.4
196.03770	0.9
197.04611	0.9
209.04480	0.7
236.82129	0.4
239.05580	0.5
284.39029	0.4
299.07803	0.7
331.10327	100.0
332.10678	1.8
370.32504	0.5
493.16016	1.2
593.52234	0.5
607.18921	2.7
612.76453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24687	2.1
59.01375	100.0
61.98822	4.1
64.11803	1.7
66.92408	1.8
69.28819	5.4
69.29221	4.6
71.01379	17.2
73.02938	32.0
83.01390	6.5
85.02952	4.4
87.00890	2.9
89.02429	6.4
93.03432	2.9
97.63786	2.2
98.22669	3.2
101.02438	17.6
113.02440	10.8
119.03492	2.4
125.02389	2.9
131.03529	2.5
137.02478	2.6
138.78976	1.9
143.03525	3.6
151.04021	3.7
160.05283	5.9
161.04501	6.7
173.05975	3.6
175.07646	3.5
188.95715	1.8
189.05513	2.6
190.06392	3.3
191.05563	5.4
205.08736	3.8
264.69290	1.7
266.05988	3.8
281.08118	1.9
311.12811	2.7
321.07532	4.4
322.08420	2.7
325.07120	6.4
336.09937	2.7
337.07135	6.1
340.09369	5.3
341.13791	14.4
355.11847	18.4
367.11847	24.4
368.12115	2.2
492.79440	1.9
503.18900	5.4
547.27698	2.4
563.27325	10.8
607.19934	4.9
629.71606	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	607.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01982	4.7
57.03440	5.2
59.01380	53.1
61.98817	18.1
64.82842	3.9
71.01384	32.0
72.19248	4.3
73.02930	12.4
83.01380	5.0
85.02940	13.3
89.02446	13.5
96.31326	4.1
97.02941	6.2
100.58713	4.6
101.02423	14.6
107.11494	3.9
109.02964	7.0
113.02443	9.9
149.02391	5.4
150.03136	4.5
158.04716	5.3
160.05278	6.6
173.06003	4.6
175.07614	9.9
191.05551	7.5
238.60469	4.9
241.05078	8.2
258.59265	4.7
311.08920	7.6
326.11453	5.2
329.13919	30.3
341.13904	8.5
344.12466	12.8
356.62149	5.3
359.15057	38.8
403.13962	10.8
434.34009	5.1
503.19229	100.0
504.19461	12.4
521.20313	52.4
563.20923	12.6
571.29248	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	607.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	55.9
61.98822	31.2
69.85259	20.5
71.01381	34.4
73.02959	13.1
78.95924	12.1
85.02992	14.3
89.02448	12.8
109.02975	10.4
113.02451	19.3
113.78033	8.5
116.92865	14.2
121.02980	8.6
160.05310	28.0
161.06096	10.4
165.05692	9.6
173.04643	11.8
175.07616	16.7
178.06224	13.1
326.11493	9.9
329.13876	100.0
359.14902	31.0
403.14063	9.0
503.19235	88.2
521.20099	33.8
563.20947	14.0
571.29401	11.4
607.31030	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	607.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35025	0.2
55.01868	0.3
57.03447	0.2
59.01377	3.1
61.98830	0.5
70.52588	0.3
71.01385	1.8
73.02938	0.7
84.38369	0.2
85.02943	0.5
85.53215	0.2
88.98826	0.3
89.02436	0.8
97.02901	0.2
101.02417	1.1
103.75272	0.2
110.31919	0.2
113.02422	0.8
120.01234	1.0
120.79041	0.2
136.05295	0.3
138.27000	0.2
143.03433	0.2
149.06088	0.2
150.06866	11.1
161.04500	1.2
165.05580	0.5
185.09676	0.2
191.05656	0.3
193.05086	0.3
239.10724	0.5
241.12332	100.0
241.70313	0.2
242.12666	2.7
268.11029	0.4
283.13373	0.8
339.78503	0.3
358.65634	0.2
385.16528	6.9
403.17740	1.8
409.31430	0.2
445.18423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02563	10.4
50.21665	13.7
51.50690	13.3
54.16026	11.0
56.79546	9.9
57.27126	10.8
59.01375	100.0
61.98829	14.3
69.03434	22.4
69.24784	69.2
71.01395	55.6
71.11984	12.2
73.84614	11.4
85.02943	30.8
87.00883	23.0
88.09400	11.1
88.98792	13.1
89.02428	28.2
93.03468	30.1
95.90319	12.9
96.96013	15.1
101.02441	63.6
113.02439	39.5
116.92878	62.4
122.54525	11.9
123.04561	16.3
137.02455	29.1
139.03998	33.7
153.01927	43.9
161.04495	19.7
164.07133	13.1
167.03445	14.2
168.04221	28.4
190.75679	14.2
191.05611	40.6
201.04128	17.1
206.08270	28.9
209.11810	28.7
229.72844	11.9
272.70297	11.5
331.10233	43.8
499.14737	22.5
522.64709	13.0
537.15082	12.0
540.75049	14.0
564.24304	27.9
594.26941	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	607.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02563	10.4
50.21665	13.7
51.50690	13.3
54.16026	11.0
56.79546	9.9
57.27126	10.8
59.01375	100.0
61.98829	14.3
69.03434	22.4
69.24784	69.2
71.01395	55.6
71.11984	12.2
73.84614	11.4
85.02943	30.8
87.00883	23.0
88.09400	11.1
88.98792	13.1
89.02428	28.2
93.03468	30.1
95.90319	12.9
96.96013	15.1
101.02441	63.6
113.02439	39.5
116.92878	62.4
122.54525	11.9
123.04561	16.3
137.02455	29.1
139.03998	33.7
153.01927	43.9
161.04495	19.7
164.07133	13.1
167.03445	14.2
168.04221	28.4
190.75679	14.2
191.05611	40.6
201.04128	17.1
206.08270	28.9
209.11810	28.7
229.72844	11.9
272.70297	11.5
331.10233	43.8
499.14737	22.5
522.64709	13.0
537.15082	12.0
540.75049	14.0
564.24304	27.9
594.26941	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	607.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14489	8.0
59.01377	100.0
60.64774	7.7
61.98821	9.8
69.06666	20.8
69.07069	39.0
71.01384	37.3
73.02972	11.4
84.87595	7.5
85.02956	20.6
86.60924	9.3
87.00862	8.1
89.02441	43.0
96.96030	10.4
101.02451	37.2
103.03970	8.2
113.02461	33.1
116.92902	14.4
119.03526	13.5
125.02418	10.1
134.06172	9.7
146.63924	9.7
179.05600	13.1
191.05562	16.2
209.11812	86.1
228.04643	9.4
281.09250	24.1
397.13409	37.1
415.14557	25.7
430.62790	10.7
493.22534	40.7
564.24390	12.2
608.22729	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53507	0.9
57.03455	2.2
59.01377	100.0
61.98831	2.9
69.03458	7.9
69.68764	4.0
71.01382	54.1
72.99300	1.2
73.02948	3.5
82.43132	1.0
83.01366	2.8
85.02939	9.8
87.00896	5.3
88.98833	1.5
89.02444	67.4
90.52674	1.1
93.03465	4.5
95.01395	3.4
96.95995	1.8
98.21971	1.8
99.00863	1.9
101.02448	30.2
103.55862	1.0
107.05020	1.2
113.02453	42.2
114.02736	1.0
119.03506	29.9
119.04933	1.1
131.03537	2.7
135.04576	1.2
137.02458	2.9
139.04008	3.7
143.03514	7.6
149.04587	3.2
159.03099	1.4
161.04553	9.7
168.03125	1.6
173.04605	2.1
179.05605	21.9
191.05606	7.3
299.01520	1.2
304.91953	0.9
331.17645	1.3
373.11218	1.5
403.14139	1.1
493.22879	76.4
494.23169	4.3
547.27393	4.9
607.26166	3.2
608.23126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68200	0.9
55.01860	1.3
56.54675	1.1
57.03435	2.1
59.01379	100.0
66.95828	1.1
69.03449	5.5
71.01380	55.6
73.02947	6.1
83.01381	2.6
85.02944	11.3
85.72082	1.0
87.00857	5.3
88.98792	1.7
89.02444	66.0
93.03467	2.1
95.01363	3.9
96.95996	2.0
101.02442	33.1
113.02451	41.7
119.03506	30.1
125.02473	1.4
131.03500	4.6
133.02969	1.4
135.04541	7.2
137.02435	2.1
138.03195	2.4
139.03914	1.6
143.03497	6.5
149.04550	3.0
159.02960	1.4
159.27129	1.1
161.02440	5.0
161.04546	7.6
168.03009	4.2
169.03444	1.2
179.03510	3.8
179.05592	25.8
191.05608	4.0
209.11867	2.0
260.99200	1.1
283.05878	1.5
297.11969	1.4
298.08517	1.5
299.01889	1.7
301.10800	10.1
313.10745	5.1
330.08118	2.6
331.08499	1.9
331.17584	2.2
359.14563	1.5
363.20065	1.2
374.94009	1.3
445.14188	1.7
491.10550	1.2
493.22910	89.1
494.23486	4.1
503.19046	5.4
521.20276	1.8
547.27625	1.7
575.18994	1.4
607.16345	3.1
607.27667	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	607.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22967	0.6
59.01370	2.8
69.13607	3.5
69.27785	0.7
73.02966	1.2
75.00871	11.2
99.00862	1.6
99.92587	13.8
116.92857	100.0
116.97240	12.8
117.01952	6.5
117.05554	1.5
117.92864	1.3
180.13754	0.8
191.05641	0.9
194.37398	0.9
263.52438	0.7
326.55673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
69.09306	4.4
75.00873	5.7
77.20927	0.7
78.95953	0.7
83.33933	0.8
86.35170	0.8
98.22676	1.5
99.00903	1.1
99.92593	10.1
110.83265	0.7
115.84657	0.8
116.92862	100.0
116.97256	11.9
117.01962	4.6
117.05602	0.9
117.92867	1.1
155.21399	0.8
174.11584	0.8
231.76561	0.9
388.91507	0.8
447.53943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.03436	6.0
59.01379	100.0
61.98818	11.0
69.03461	3.1
71.01382	44.6
71.05013	3.2
71.66993	2.0
73.02937	14.8
82.95435	4.7
83.01385	8.6
84.95117	12.4
85.02956	17.8
86.17265	1.8
87.00890	9.5
88.98822	3.4
89.02440	12.8
93.03445	4.9
95.01382	5.3
96.96014	2.9
98.21816	4.8
98.72539	1.9
99.00892	1.9
101.02438	28.4
108.11038	1.7
109.02946	3.6
111.00842	3.8
111.35584	2.0
113.02451	28.1
116.77059	1.8
116.92921	2.4
119.03469	6.5
120.99556	1.9
123.04530	3.4
125.02380	1.9
135.04529	2.3
139.03995	8.6
143.03529	5.3
153.01926	3.5
153.05579	6.4
159.02888	2.6
161.04543	8.4
173.04549	3.7
179.03453	2.8
179.05675	3.0
187.11281	6.3
191.05583	11.3
201.03993	2.9
201.11258	2.8
205.12291	4.9
209.11780	9.1
229.12302	3.1
233.39127	2.4
271.57480	2.1
284.03201	2.0
299.01883	2.2
299.05673	3.2
299.11145	4.3
305.16074	18.8
349.18750	3.9
359.27927	8.4
363.20221	26.0
386.23193	2.1
411.16626	2.4
450.04727	9.3
471.18710	3.2
487.09402	3.8
493.30215	15.6
503.32230	67.6
504.32727	2.6
521.33313	24.5
522.33606	2.3
547.10999	6.6
547.30762	3.8
563.33856	7.4
607.23083	4.5
607.35352	5.9
608.30518	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11428	2.0
55.01880	2.5
57.03439	5.3
59.01378	100.0
69.03483	2.4
69.85136	1.8
69.85499	4.9
71.01380	30.2
71.05035	1.8
73.02940	9.8
81.30650	1.5
83.01398	3.7
84.13348	1.5
85.02951	11.1
87.00860	3.8
88.98806	1.6
89.02453	8.8
95.01385	5.1
99.00824	1.6
101.02431	19.3
113.02457	18.4
119.03518	4.3
125.02448	2.8
137.71364	1.7
143.03506	4.6
153.05571	10.5
159.02965	1.6
161.04573	5.5
171.13875	8.4
173.26834	1.6
298.10892	3.5
299.11108	5.0
332.16116	2.0
333.18979	4.9
337.89590	1.6
349.18686	5.0
359.28091	9.5
373.22247	2.7
406.01996	1.8
410.81686	2.0
467.30106	2.8
475.29242	2.0
493.30283	2.8
503.32239	92.7
504.32626	6.0
521.33282	42.1
522.33667	2.6
538.33514	2.2
558.48291	1.8
563.34418	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.2
57.03445	3.3
59.01378	90.6
61.98817	3.5
69.30183	6.7
69.67262	1.2
71.01379	29.9
72.99275	1.3
73.02944	7.0
82.95450	2.9
83.01381	4.4
84.95142	1.5
85.02949	13.0
87.00877	3.3
89.02448	6.7
93.03456	2.5
93.21596	1.2
95.01395	2.3
97.02976	2.4
97.06616	1.7
99.00891	2.8
101.02452	12.7
107.05042	1.9
109.02957	17.7
113.02451	15.8
119.03519	3.2
123.08183	3.4
125.02431	1.5
135.04514	3.5
139.04008	2.3
143.03502	2.1
151.04057	1.7
153.01944	25.7
161.04578	2.8
171.13885	1.9
173.04581	3.0
187.13443	3.1
191.05580	6.1
297.34857	1.2
299.01816	2.2
359.15027	2.6
359.28009	12.3
401.90182	1.4
487.09470	2.0
493.23160	2.4
493.30090	4.7
503.32236	100.0
504.32486	6.3
521.33234	31.8
530.82849	1.4
545.32886	2.9
547.10944	1.5
563.34338	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
57.03437	3.3
59.01378	89.9
59.93557	1.4
61.98824	1.9
65.32976	1.4
69.03431	2.2
71.01378	26.8
72.99288	1.3
73.02955	7.8
83.01377	3.4
85.02953	16.1
87.00864	4.7
89.02437	9.3
95.01413	3.1
97.02945	2.0
97.06622	1.7
97.30940	1.2
98.22646	4.3
99.00896	2.0
101.02428	17.6
113.02465	13.6
119.03477	4.8
123.08138	1.7
125.02430	2.9
139.04076	1.7
141.09271	1.8
143.03462	3.1
161.04561	3.0
171.13866	5.6
187.13258	2.7
200.14034	1.7
203.12897	1.9
209.11931	2.3
344.18256	2.0
349.18604	2.8
359.28027	12.8
363.20245	3.7
475.28772	1.4
503.32217	100.0
504.32684	6.1
505.39688	1.5
521.33228	42.1
522.33282	2.3
545.33527	1.7
563.34619	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	607.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	5.7
66.91918	1.1
69.11781	7.4
73.98810	1.1
78.95898	3.1
87.00864	4.9
88.00394	2.3
88.98804	39.7
89.02437	100.0
103.92028	2.8
104.19784	1.2
155.28342	1.2
170.57431	1.1
179.92842	5.1
204.83186	1.3
207.37692	1.3
214.53410	1.0
235.85095	2.4
249.86530	2.0
337.95453	1.2
425.23703	2.0
426.23822	2.8
442.23190	1.9
467.24609	4.2
468.24872	7.1
570.28552	5.4
571.28925	19.9
572.11566	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	607.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98829	1.8
69.92565	3.2
75.00895	1.4
78.95911	5.3
82.45876	1.3
85.00430	8.4
96.96012	2.0
98.95552	1.7
103.01490	76.6
131.19547	1.8
293.76184	1.8
326.37253	1.6
341.04678	1.8
342.15820	1.7
572.10016	2.4
607.19714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79201	1.2
58.15347	1.2
60.99296	5.3
71.01372	2.1
71.12654	1.4
78.95907	4.4
86.96457	1.3
87.00879	4.5
88.98262	2.6
88.98804	38.6
89.02441	100.0
103.58348	1.3
103.92012	3.2
115.28432	1.4
123.90166	2.1
125.87295	1.7
140.83820	1.3
179.92789	6.5
180.93373	1.8
181.92535	2.5
193.49039	1.3
204.83156	2.4
235.85085	1.4
242.89323	1.6
324.29761	2.2
382.78214	1.4
419.87836	1.5
425.23578	2.7
426.23911	4.2
441.22900	1.6
442.23206	2.7
467.24631	5.2
468.25113	8.7
547.06079	1.6
570.28467	8.9
571.28876	29.7
572.11414	9.5
572.29340	1.8
607.27008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1248
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
52.66781	0.5
53.52046	0.4
57.03439	0.5
59.01379	4.9
61.98828	1.9
63.02385	1.2
64.97736	0.4
65.00328	0.9
69.09050	2.7
71.01366	2.5
73.02928	1.1
83.01392	0.9
85.02505	0.5
85.02961	1.8
87.00870	1.0
88.98810	0.4
89.02451	1.3
93.03460	1.5
97.47513	0.4
98.51727	0.4
99.00907	0.4
99.29805	0.4
101.02457	1.7
105.03472	0.6
107.01402	1.7
107.05018	0.7
109.02979	1.3
113.02446	1.8
116.92922	0.5
117.03391	0.6
121.02956	0.9
123.04491	0.8
132.02223	0.6
133.02950	15.3
134.03717	1.4
135.04521	14.1
137.02400	0.8
137.19707	0.4
139.04013	0.5
149.02437	1.2
151.00386	4.5
151.80547	0.4
161.02437	20.6
170.81287	0.5
173.04538	1.5
175.03972	2.5
177.05571	0.7
178.99860	0.8
179.03490	5.0
185.06076	0.8
189.05461	0.7
189.09230	0.9
191.05588	4.7
199.03976	2.8
201.01906	0.5
203.03497	0.5
205.12508	0.5
213.05547	0.6
217.05037	1.3
221.04575	0.6
229.05139	0.5
239.03220	0.5
241.05042	1.0
243.03064	1.2
257.04633	0.5
284.03250	5.1
285.04031	100.0
286.04413	3.4
297.09888	0.5
300.02805	0.6
301.03619	0.8
323.07681	1.7
327.80804	0.5
376.47055	0.5
397.13705	0.6
435.10776	0.6
447.08765	0.5
547.21802	1.4
549.29730	0.7
565.22180	0.7
609.12445	69.2
610.12701	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	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37773	1.5
55.94009	1.6
65.77270	1.5
67.05506	1.8
81.03421	2.4
85.02956	3.4
94.04255	9.7
95.70741	1.5
97.54630	1.8
98.99127	1.5
99.04522	25.9
105.07085	13.7
107.05033	3.8
108.05807	3.1
109.51608	1.5
111.00826	3.4
111.04513	28.1
113.02411	1.9
121.06598	4.4
123.08164	59.4
125.02461	9.1
139.07639	11.1
155.03496	3.1
161.02431	2.9
167.07132	39.6
191.05603	23.8
211.06076	12.4
223.11838	1.7
255.05090	100.0
256.05466	2.3
308.94586	1.6
353.08603	2.4
433.02203	1.7
549.02271	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48765	0.3
53.69503	0.3
55.50251	0.4
59.01374	1.6
60.99308	1.1
63.02403	0.7
65.00331	0.9
66.35094	0.4
67.23325	0.4
69.04121	2.4
71.01399	1.0
83.01381	0.9
88.98798	5.7
89.02438	0.6
93.03436	0.6
107.01379	3.2
107.85069	0.4
108.02144	2.0
109.02973	1.0
110.94476	0.3
113.02419	0.5
121.02957	1.4
125.02537	0.4
135.00888	1.1
148.01683	1.6
149.02460	0.7
151.00366	9.8
163.00351	1.9
164.01193	0.7
175.03915	0.5
178.99826	5.5
179.05486	0.4
187.03966	0.6
199.04007	1.0
203.03621	0.5
209.11732	0.8
210.12209	0.4
211.03949	0.7
215.03389	0.5
216.04280	0.8
226.02676	1.4
227.03499	2.7
229.01572	0.5
229.04988	0.4
243.02960	10.3
244.03680	0.8
245.04588	1.0
254.02179	2.7
255.02962	27.7
256.03497	0.9
271.02463	59.3
272.03094	3.2
273.04016	0.7
283.02527	0.8
299.01953	1.3
300.02728	100.0
301.03476	23.8
302.03839	0.9
343.04413	0.9
609.14545	95.6
610.14813	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	609.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41779	0.5
62.72738	0.6
65.00299	0.8
69.24768	1.5
69.25156	1.2
73.78642	0.7
80.68319	0.7
91.10268	0.6
107.01361	1.8
108.02185	1.7
109.02939	1.3
121.02940	1.1
148.01669	1.7
151.00334	8.2
163.00435	1.4
178.99860	3.7
211.03976	0.9
226.02722	1.0
227.03500	1.6
243.02930	5.8
244.03708	0.7
254.02348	0.8
255.02975	21.3
255.05643	1.3
256.03680	1.1
271.02472	42.4
272.03137	2.2
273.03836	0.9
299.01947	1.5
300.02731	68.2
301.03494	27.1
302.64383	0.6
317.58319	0.7
468.98099	0.8
543.71271	0.7
609.14551	100.0
610.14935	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	609.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36349	0.7
59.01379	1.4
70.20129	2.1
71.01379	14.6
74.68341	0.8
115.00359	7.6
121.02949	100.0
122.03275	1.4
125.02382	3.0
136.71587	0.9
137.02510	1.0
148.57695	1.0
162.54546	0.9
188.64276	0.9
191.05594	3.9
237.03967	13.3
271.02200	1.1
282.08987	0.9
371.10114	1.1
567.69128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36362	0.7
59.01373	1.5
63.02377	0.8
65.00317	1.5
67.03486	0.7
69.71227	0.7
70.31659	1.9
72.54580	1.0
83.01394	1.6
83.47492	0.7
93.03463	1.1
107.01387	1.5
109.02934	1.8
121.02981	2.2
135.25923	0.8
137.06087	2.3
148.01634	1.2
149.02481	1.8
151.00352	12.9
163.00368	2.6
178.99870	4.7
186.95929	0.9
191.05562	2.3
193.01399	1.0
194.08208	0.7
198.82834	0.7
208.03778	2.5
211.03947	1.2
223.06033	6.7
226.02682	1.8
227.03488	2.1
243.02982	9.7
243.10109	2.2
245.04518	1.5
254.02225	2.6
255.02989	28.0
256.03784	0.8
270.42447	0.7
271.02475	55.1
272.03021	2.8
272.15717	0.7
273.03900	1.4
299.02042	2.1
300.02744	99.8
301.03494	31.6
301.06250	0.5
301.07053	0.9
343.04617	1.0
447.13037	3.0
578.93677	1.0
609.14539	100.0
610.14709	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49885	1.8
59.01371	12.8
65.52298	1.8
69.23837	9.6
71.01385	18.0
85.02949	4.2
87.00903	2.4
88.98817	2.1
89.02444	4.7
93.03471	4.2
96.96025	4.1
97.13033	2.0
101.02441	3.3
113.02433	2.8
115.00368	9.5
121.02959	100.0
137.06081	19.8
143.04622	4.9
173.04521	2.4
178.00845	2.1
179.05699	3.8
191.05624	10.9
197.37642	1.9
212.41913	2.0
226.54259	2.3
237.04074	15.3
237.73198	2.0
243.10249	28.6
306.07654	3.7
312.09567	2.6
373.32819	2.4
447.16458	3.8
470.42886	1.9
549.25330	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17013	1.2
57.03436	1.9
59.01376	30.1
61.98808	1.2
66.08817	1.3
71.01376	17.7
73.02932	4.8
83.01369	3.6
85.02948	8.8
87.00848	2.6
87.72651	1.3
89.02446	12.6
93.03473	2.4
95.01378	2.3
96.96000	3.7
101.02427	14.5
111.00877	1.4
113.02446	9.3
119.03484	7.0
131.03526	1.9
134.06104	6.8
139.50258	1.2
143.03481	2.5
145.06163	3.3
151.00349	3.0
153.05721	1.4
161.04558	3.7
162.05547	1.5
163.11258	1.5
169.01407	2.8
169.08650	2.9
179.05582	4.5
183.04451	2.5
184.03690	2.3
191.05605	3.1
192.06682	9.4
199.06073	2.1
204.06554	3.2
209.11859	1.8
210.12044	1.8
211.03983	3.3
211.12158	1.3
227.03461	6.2
243.03036	1.6
255.02965	47.8
256.03513	2.1
257.06815	1.8
283.02472	100.0
284.03214	15.2
285.04034	82.3
286.04221	2.0
287.06693	9.4
297.03763	1.3
327.05038	3.3
387.20224	2.8
446.08505	16.7
447.09320	57.9
448.09293	2.5
457.57138	1.5
489.10211	4.3
489.18835	1.6
519.19824	19.6
531.19794	2.3
549.25568	45.7
587.62189	1.3
594.77411	1.6
609.14539	56.5
610.14911	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	609.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
64.14345	0.6
68.99812	5.5
69.13615	3.5
88.18610	0.7
93.03445	0.8
100.03220	0.6
121.02914	1.0
123.00848	2.9
125.02427	1.8
135.04512	1.5
137.02425	0.9
138.03217	7.7
139.00336	0.6
147.00877	0.7
148.85046	0.6
149.02432	11.4
152.01106	2.1
153.01967	1.4
153.05563	11.3
162.03281	1.0
163.04002	5.1
164.04768	14.9
165.01895	2.7
168.04301	1.0
169.05072	0.7
175.00348	2.8
176.01140	2.5
177.01926	2.5
177.05615	1.1
179.07101	4.2
180.04288	0.9
190.02676	4.5
191.03505	2.4
192.04234	3.9
193.01398	16.3
193.05028	1.6
205.04999	5.3
207.02888	0.9
207.06616	4.7
208.03746	37.8
209.04256	1.0
222.05347	1.1
223.06099	100.0
224.06573	4.0
232.03961	0.8
247.06029	1.0
255.03140	0.9
260.54813	0.7
265.07114	2.6
271.02365	2.1
296.38321	0.7
300.02713	1.9
301.03265	0.8
358.10443	1.0
373.12787	4.1
385.11655	0.9
403.13959	8.2
417.11523	1.0
447.12915	46.8
448.13281	2.3
489.13943	1.3
609.14551	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78842	3.7
59.01379	53.4
61.98824	4.1
69.07307	3.9
71.01372	33.4
71.05019	5.1
73.02945	13.1
85.02937	10.6
87.00889	4.3
89.02447	23.6
93.03454	4.9
96.95979	5.5
101.02431	29.1
101.06078	9.8
103.36571	3.3
113.02441	16.8
119.03473	10.5
121.06680	4.1
123.08127	5.5
125.09728	4.1
131.03505	3.3
135.04517	5.5
141.09218	21.8
143.03474	3.8
150.72449	4.0
161.04527	12.7
161.53346	3.6
169.08701	100.0
173.04497	4.7
179.05605	16.0
191.05579	14.7
192.06619	5.5
203.61334	3.4
209.11745	7.5
213.07668	86.7
255.02815	5.9
257.06693	34.1
283.02429	9.9
284.03098	6.5
285.04010	15.9
294.36636	4.1
313.03433	4.1
351.13184	8.6
369.19232	6.8
378.73721	3.7
383.75266	4.1
387.20407	9.0
447.09268	13.8
519.19867	11.6
549.25574	41.1
609.14838	12.9
609.24316	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	609.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01649	0.2
55.01900	0.5
56.40079	0.1
59.01377	6.4
60.49437	0.1
69.16859	0.3
69.17255	0.3
71.01370	0.2
78.24960	0.1
87.00864	0.7
101.02451	0.2
104.01555	0.1
148.86568	0.1
152.06326	0.1
153.39427	0.1
161.04501	0.2
169.06561	0.6
179.08626	0.4
181.10210	3.8
183.07977	0.1
208.03508	0.1
223.07788	0.3
225.09200	100.0
226.09531	2.5
228.49191	0.1
249.09261	0.2
278.96848	0.2
387.14462	15.8
388.14789	0.6
407.80286	0.1
463.75705	0.1
581.85870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88089	0.9
59.01376	100.0
61.98824	2.4
71.01369	2.0
71.42941	1.0
85.76746	0.9
87.00861	1.1
88.98785	1.4
95.61149	0.9
107.19933	0.9
112.01586	1.2
113.02466	1.2
125.02412	1.3
135.04597	0.9
150.03267	1.1
151.00317	2.5
161.04536	1.0
163.00340	1.5
165.05540	1.4
167.06793	0.9
175.03963	1.9
178.07201	1.0
191.05585	3.4
195.06578	1.1
208.03708	2.3
223.06041	6.1
243.02902	2.6
255.02945	7.1
271.02423	13.5
299.02008	1.3
300.02747	23.6
301.03427	7.6
315.04996	1.8
339.08722	4.7
342.10995	2.0
354.10962	1.5
357.13373	13.4
369.13431	15.3
413.14706	1.9
447.12961	1.8
609.14587	26.5
609.24896	1.7
609.29059	1.4
610.15082	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	609.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.2
59.01378	1.3
71.01373	0.5
71.42142	0.1
73.02943	0.2
81.03452	13.8
85.02940	0.2
89.02473	0.3
93.03454	1.3
95.05032	0.5
96.96005	0.2
101.02453	0.3
106.04272	0.3
107.03247	0.2
113.02435	0.3
122.03767	0.3
123.04536	0.2
136.05305	0.2
137.06081	89.4
138.06432	1.0
147.08134	0.2
149.06079	0.8
161.04755	0.2
161.06047	1.2
173.06013	0.5
175.07637	0.2
187.07716	0.3
191.07086	0.4
197.09709	0.3
201.09235	0.2
203.07123	0.6
215.07091	0.2
225.09155	0.8
225.19514	0.2
243.10237	100.0
244.10588	2.1
257.02737	0.2
258.03091	0.2
267.10196	0.8
279.10236	0.2
281.11746	0.2
285.11142	0.4
300.67142	0.2
309.11255	0.2
387.14462	12.1
388.14841	0.3
402.54169	0.2
405.15543	9.4
406.15701	0.3
421.09167	0.2
436.11212	0.3
447.16580	13.1
448.17108	0.4
549.19696	0.3
596.62524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76011	1.6
51.60180	2.0
56.33411	1.8
59.01076	2.7
59.01376	46.3
68.56958	1.6
71.01378	29.7
73.02943	5.9
77.54304	1.7
83.01387	4.0
85.02952	9.2
89.02434	18.6
93.03449	3.8
96.96050	2.8
101.02448	18.0
113.02444	10.6
119.03516	9.1
130.26202	2.0
131.03439	2.8
135.04489	2.7
139.03999	2.8
143.03477	1.8
159.02919	2.2
159.43724	1.6
161.04610	3.6
180.83003	1.8
191.03523	2.3
191.05539	4.1
195.06749	2.2
218.15562	1.7
283.02469	4.4
368.10248	2.0
386.26410	2.0
399.39822	1.7
519.11658	2.0
526.11859	1.9
549.25482	100.0
550.25769	4.7
609.14429	4.4
609.23560	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	609.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03441	1.3
59.01380	100.0
60.01730	1.0
61.98831	1.7
69.03469	0.6
71.01380	30.4
72.99310	0.7
73.02951	4.8
76.03866	0.6
76.10941	0.5
83.01401	1.9
85.02953	8.0
87.00892	1.4
88.98818	2.0
89.02445	26.9
90.98482	0.5
93.03487	1.4
95.01410	2.2
96.96027	1.9
99.00895	1.5
101.02445	20.8
101.03091	1.1
108.02197	0.6
113.02448	14.4
116.92854	1.0
119.03509	13.5
125.02480	0.8
127.76328	0.5
131.03519	1.2
134.08559	0.5
135.04579	1.1
137.02475	1.3
139.04041	1.3
143.03513	3.1
149.04617	1.3
159.03030	1.3
161.04536	7.5
163.04111	0.8
167.03459	0.6
169.57948	0.6
170.12212	0.6
173.53596	0.6
179.05598	7.9
189.09349	0.6
191.05640	4.1
207.42088	0.6
226.10690	0.6
227.03587	0.9
237.64288	0.6
243.03123	2.5
255.02895	4.5
271.02509	11.8
272.03174	1.8
285.04370	0.7
300.02737	21.2
301.03427	2.0
331.14014	1.5
339.29669	0.7
362.04117	0.6
369.19290	1.5
387.20084	4.5
442.34662	0.6
496.21805	0.8
549.25470	65.6
550.26074	4.0
609.14429	13.8
610.15021	1.2
615.50195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03444	4.3
59.01381	89.6
60.99305	3.8
61.98830	18.0
68.90591	1.4
69.03456	1.8
69.16969	8.7
70.87691	1.2
71.01382	33.7
72.99327	2.4
73.02935	6.6
77.21029	1.4
78.88436	1.3
83.01392	5.1
84.02220	1.5
85.02950	15.5
87.00884	5.8
88.98809	25.1
89.02451	17.4
93.03429	3.6
95.01398	4.7
97.02930	3.0
99.00878	2.8
101.02446	19.6
107.04977	1.5
109.02956	3.0
111.00905	1.7
113.02444	17.0
115.04019	2.2
119.03518	2.9
124.01639	1.9
125.02438	3.2
132.27409	1.9
135.04509	4.3
137.02487	2.4
143.03508	4.5
153.01923	2.2
153.09189	2.3
161.04510	2.9
171.13875	1.6
173.04573	4.4
179.05579	5.9
187.13329	1.8
191.05573	6.3
205.12321	1.8
221.06621	3.4
223.74899	1.4
225.74550	1.3
228.07907	6.4
243.10222	3.2
244.49680	1.6
263.07651	3.0
291.03601	1.5
296.35724	1.9
343.28540	1.6
361.29672	10.0
369.09369	1.4
430.23425	1.6
447.26187	3.9
495.31619	3.5
505.33832	100.0
506.34045	3.5
523.34906	35.0
549.33582	2.0
553.09003	1.5
565.35956	13.9
609.31506	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	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.1
59.01379	92.0
60.99295	4.0
61.98825	26.4
71.01377	36.7
72.03104	1.6
73.02931	7.7
73.91534	1.6
83.01388	4.4
85.02950	14.8
87.00893	9.1
88.98813	23.7
89.02438	11.8
92.05063	2.0
93.03448	5.4
95.01387	4.3
97.02944	2.7
100.83315	1.8
101.02442	21.3
109.02985	2.1
113.02436	19.0
119.03486	4.4
125.02422	3.3
135.04520	6.6
137.02429	3.6
139.04005	3.4
143.03508	5.2
153.01984	2.5
153.09193	2.4
161.04523	3.7
164.56876	2.2
173.04526	7.5
179.05611	3.8
191.05624	14.8
197.04530	2.4
200.11444	2.0
205.12335	3.7
209.11774	1.8
221.06604	1.8
228.07964	5.0
243.10251	3.6
263.07693	2.5
361.29587	10.6
436.06998	1.7
447.25934	4.4
469.31528	2.9
495.31638	5.6
505.33795	100.0
506.34015	4.9
511.54117	2.3
523.34851	32.7
524.35107	3.6
528.56573	2.1
549.19812	2.0
565.35968	12.6
572.11401	2.2
609.14734	3.8
609.31287	31.8
610.32373	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	609.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21442	1.0
59.01381	1.7
69.54620	3.5
91.70345	1.2
95.05027	26.6
96.95978	1.2
98.22558	2.5
99.25084	1.2
111.51073	1.1
130.47026	1.2
189.05333	1.4
195.13916	8.7
223.13383	6.7
244.72423	1.3
246.12329	27.9
275.20135	4.5
278.08255	2.1
278.11349	52.6
293.21231	100.0
294.21503	3.7
295.34354	1.3
300.60568	1.3
308.50198	1.4
315.19363	28.0
430.16000	1.4
572.32031	3.5
609.14594	1.4
609.26239	2.0
609.41479	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	610.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41235	5.2
59.01378	27.7
61.98828	15.4
66.60606	5.4
68.39424	5.8
69.31903	10.5
69.32195	29.0
71.01379	13.7
81.03441	9.2
89.02453	7.1
91.15701	5.8
101.02380	6.9
103.39073	5.7
126.22022	5.6
137.06071	74.8
139.32698	6.1
149.02435	18.9
150.03223	43.6
164.04774	11.5
165.05551	51.9
179.03568	8.7
180.04271	7.2
191.05695	8.4
195.06613	100.0
208.03908	6.5
209.08191	43.4
223.06088	16.6
243.10196	87.4
244.10512	12.2
263.97589	5.2
311.05197	6.2
342.10968	8.0
357.13367	39.2
405.15463	77.8
430.18866	9.0
480.43723	6.0
610.26666	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	610.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03425	1.5
59.01377	51.5
60.01706	1.6
61.98821	6.4
66.03452	1.0
69.03429	2.4
70.75467	1.5
71.01382	24.1
72.01710	2.0
72.99294	1.0
73.02920	3.5
78.61720	0.7
83.01372	1.7
83.05007	1.4
85.02946	6.1
85.06561	3.5
87.00873	1.0
89.02442	20.9
90.02763	1.2
93.03426	0.8
95.01387	1.6
97.02946	4.2
97.06547	2.5
99.00845	1.1
101.01803	1.1
101.02436	14.0
102.02754	1.8
104.58096	0.9
111.04518	6.6
113.02448	10.5
114.02801	1.3
118.06633	12.0
119.03493	9.0
122.03681	1.4
123.04507	1.4
129.05577	10.1
131.03453	0.9
136.07654	1.0
137.06085	6.0
141.05505	1.0
142.12344	1.2
143.03452	2.5
146.09746	1.1
150.09207	1.3
161.04530	3.0
162.05545	3.3
164.07085	1.2
168.10245	3.9
172.11270	4.5
174.12846	1.3
179.05717	5.0
180.05861	1.7
186.11357	16.3
190.23479	0.8
191.05609	1.6
199.07669	0.9
200.14395	1.7
212.12839	1.2
228.17390	0.9
243.06544	2.1
243.10196	6.9
244.10526	6.6
244.13126	1.5
261.07556	2.7
269.17072	1.1
270.14926	2.3
285.04001	1.7
286.04501	0.9
288.15912	4.3
306.17508	1.4
324.19489	1.2
332.15036	13.5
333.15686	6.4
342.20599	3.4
346.87610	0.8
350.16040	1.6
386.19687	9.9
409.65054	0.8
430.18561	5.1
436.11230	1.7
447.22043	1.7
448.22733	4.0
512.21393	5.2
550.26514	5.8
610.25354	100.0
611.25659	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	610.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82908	0.9
61.98827	100.0
73.24542	1.1
78.95905	20.8
87.99902	1.0
98.22186	1.2
110.98534	1.9
111.48897	1.1
114.95812	1.1
125.87318	3.1
127.87012	8.3
128.87796	2.0
137.00046	1.0
152.99585	1.5
157.86273	1.1
157.88072	1.2
162.83955	3.1
167.01028	1.5
169.86195	2.2
170.88789	1.2
200.88115	5.6
202.87869	2.1
204.83257	6.2
206.82864	10.9
211.34360	1.1
219.85544	3.3
221.85197	5.0
235.84918	6.7
237.84674	11.2
242.89125	4.9
244.88881	2.1
249.86575	1.6
251.83888	1.1
251.86070	5.3
264.87109	2.1
279.23303	6.2
279.85815	2.0
280.86484	1.8
306.41696	1.4
405.10779	2.1
407.10178	3.5
434.70392	1.2
447.25089	3.3
529.25690	1.2
547.32654	1.5
572.11597	19.0
573.12427	1.5
574.11359	40.5
575.11548	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	611.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62426	4.6
59.01394	5.0
61.98840	7.0
71.43541	4.1
92.48070	4.4
96.96004	100.0
277.21432	6.7
317.15726	4.6
399.88248	4.5
425.28665	5.4
610.74005	5.0
611.29279	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	611.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12545	0.7
61.98829	1.5
71.11339	0.8
75.13040	0.7
93.03456	38.9
100.24902	0.7
111.97472	0.7
116.48902	0.7
137.02441	100.0
138.02823	1.5
151.04001	2.9
201.22699	0.7
213.54533	0.7
217.09482	0.8
222.08752	0.7
261.82550	0.7
269.08185	1.3
315.46866	0.9
527.20502	0.9
556.12585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99491	0.4
61.98816	0.4
67.46371	0.3
69.77671	0.4
69.78008	1.1
74.07456	0.4
76.06606	0.4
78.95901	0.6
93.03454	81.4
94.03767	0.5
98.22512	0.6
137.02438	100.0
138.02776	1.3
143.56509	0.4
151.02834	0.8
151.03995	9.5
152.99590	0.6
219.40862	0.5
263.07172	0.4
291.06625	1.3
306.08881	0.6
321.11203	1.0
415.15546	2.2
459.14297	0.9
497.67218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64726	0.3
59.01365	1.5
61.98832	2.6
67.01875	0.6
70.97726	0.5
71.01371	0.4
80.01645	0.3
81.72192	0.3
85.02930	0.5
93.03448	1.1
109.02934	0.7
113.02462	1.0
121.02952	3.4
122.99553	0.4
135.04501	4.1
137.02423	5.1
147.04454	0.6
149.02432	19.4
151.04012	0.7
152.01151	3.7
153.05524	0.4
161.02432	0.6
162.03180	0.4
163.04004	4.0
164.01086	0.5
164.04779	19.2
165.01918	38.9
166.02449	0.6
167.03456	1.0
169.05043	1.0
177.05469	0.6
179.03488	6.8
179.07108	5.1
180.04272	25.2
181.04691	0.8
190.02800	0.5
191.05566	0.7
193.01411	13.1
193.03172	0.8
194.05794	1.5
195.02888	1.3
195.06610	33.2
196.07031	0.4
205.04951	0.5
208.03749	34.3
209.04112	0.8
210.05327	6.3
215.05753	0.4
221.08119	0.4
223.06094	100.0
224.06496	1.6
225.07663	33.2
226.07999	0.4
243.02808	0.5
255.03064	0.5
256.03247	0.6
265.07181	2.1
271.02451	1.5
272.02814	1.2
273.03003	1.3
300.02899	2.2
301.03223	2.5
302.03400	2.7
303.04065	0.7
327.08807	0.4
335.07602	1.1
363.23868	1.4
411.11801	0.4
449.14441	11.3
497.12918	1.3
567.30396	0.5
610.31989	0.5
611.14844	6.2
638.13232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84508	0.9
59.01378	4.4
71.01366	2.4
72.13225	1.0
78.55569	0.9
85.02936	1.0
89.02451	1.0
93.03461	2.6
101.02464	1.1
113.02480	1.9
120.77715	0.9
121.02948	4.8
134.03726	1.9
135.04504	3.4
137.02444	6.9
149.02441	22.0
151.04018	1.0
152.01149	2.8
163.03998	4.7
164.04796	19.8
165.01924	47.6
169.05034	1.8
177.05524	1.1
179.03502	7.8
179.07104	4.5
180.04279	30.8
190.02644	1.1
191.05627	2.8
193.01413	16.3
194.05838	1.3
195.06618	41.8
208.03754	33.8
210.05318	8.6
217.18365	1.0
223.06107	100.0
224.06442	2.5
225.07663	42.7
265.07050	2.1
287.12787	2.0
311.05215	1.1
401.12271	5.7
411.93213	1.0
449.14435	23.3
543.79578	0.9
611.14227	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	611.2132
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
61.98826	6.6
62.69181	2.1
68.99819	15.9
71.41902	3.3
109.02950	3.1
121.02964	4.2
123.00882	12.4
125.02441	8.2
136.01657	15.1
137.02437	8.8
138.03236	20.6
139.04012	4.8
149.02449	3.8
151.00320	3.6
151.04044	16.6
153.01949	11.0
153.05585	31.6
159.04456	3.3
161.02449	3.2
163.00523	2.7
163.03983	2.6
165.01906	14.3
166.02727	8.7
168.04305	34.2
175.00368	7.4
176.01129	26.7
177.01874	11.1
177.05533	3.2
178.02756	13.1
179.03358	2.0
180.04285	3.4
181.05064	12.6
190.02757	2.7
191.03494	26.6
192.04280	35.6
193.01418	26.7
193.05067	15.0
194.05835	3.6
195.06601	3.1
205.05011	3.0
207.06616	45.4
208.03763	37.5
209.04530	6.0
223.06108	100.0
224.06863	27.4
225.07568	3.5
238.04877	2.5
336.44537	1.9
357.09631	4.3
372.12033	3.7
387.14526	14.7
399.15799	2.2
581.19910	3.2
591.75024	2.2
611.21332	63.9
612.20996	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	611.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08379	0.5
59.01388	2.6
61.98831	2.8
71.01386	3.4
71.42221	0.7
71.60395	0.6
72.00672	0.5
73.02948	1.6
73.32225	0.5
73.63336	0.5
75.00814	0.5
85.02955	2.0
89.02470	0.6
93.03484	0.8
95.05003	0.5
96.95974	0.6
101.02430	2.1
111.76414	0.7
113.02444	1.6
117.33803	0.7
123.04518	0.5
124.57101	0.7
129.79616	0.6
135.04443	0.6
136.05298	11.4
137.06075	0.7
150.03224	0.7
161.04536	4.3
165.05579	2.7
166.06346	2.1
167.03387	0.9
171.83235	0.6
181.05090	1.1
191.05621	0.9
203.03508	1.6
218.05800	1.4
227.10768	100.0
228.11113	3.3
233.08192	1.8
261.63147	0.6
272.10544	1.2
287.07800	0.8
287.12946	9.7
389.16086	16.5
390.16418	1.5
405.64908	0.7
449.18240	5.1
581.45795	0.6
611.32861	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	611.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06165	0.8
69.02493	0.9
78.95908	5.4
79.95737	2.7
80.20537	0.8
96.00917	0.9
96.96011	100.0
96.96918	7.8
118.96629	1.2
147.31898	0.8
189.00786	1.5
205.08398	0.8
277.21741	6.4
291.04166	1.2
333.05029	1.3
351.06064	5.7
375.19339	0.8
381.86694	1.0
400.93399	0.9
611.23688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16936	0.7
54.91426	0.6
56.79856	0.7
59.01371	1.1
61.98826	1.0
71.01355	0.8
76.21277	0.7
78.95894	3.3
79.95740	4.5
90.55167	0.7
96.96009	100.0
96.96899	5.1
98.22607	1.8
106.21279	0.7
119.60445	0.7
124.94097	0.7
191.48987	0.7
277.21741	3.9
291.03854	1.0
309.69556	0.9
351.06128	1.6
611.37756	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	611.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01378	1.8
61.98822	0.7
67.01857	0.3
68.99567	0.5
69.03448	1.2
69.14062	0.6
69.14472	0.8
71.01377	0.6
76.42957	0.2
85.02928	0.5
87.28388	0.2
89.02451	0.3
101.02430	1.0
112.98534	1.0
113.02451	4.9
118.02502	0.2
119.03467	0.6
125.02436	0.5
134.03795	0.3
138.49829	0.2
161.04562	0.7
174.98712	0.2
175.36023	0.3
175.90173	0.2
176.88530	0.3
191.05652	0.7
193.05058	0.3
275.07581	0.5
275.65543	0.3
287.20145	0.4
317.21524	0.3
335.22256	100.0
336.22635	3.8
409.75494	0.2
413.22058	0.2
438.08951	0.3
497.27475	2.1
611.30945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	37.9
60.64599	13.7
61.98836	100.0
64.36906	17.6
69.40541	30.3
69.40949	48.7
71.01416	18.5
74.05640	14.8
79.16310	16.7
89.07535	18.5
94.92565	15.3
96.12230	17.9
98.21735	18.9
101.46909	16.9
113.07164	15.1
134.93660	15.4
161.67938	17.0
173.04510	23.7
191.05687	27.1
223.13283	37.1
271.29099	16.6
277.68082	17.2
375.22281	21.4
611.30231	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35275	0.3
57.81262	0.3
59.01373	1.1
61.98828	100.0
88.98819	0.5
89.02443	0.4
98.21786	0.6
108.43575	0.3
119.86922	0.3
163.22450	0.3
186.67302	0.3
197.96259	0.3
205.08679	0.4
225.09201	2.7
226.09521	3.9
226.69740	0.3
227.09982	1.2
248.28903	0.3
288.54459	0.4
355.69720	0.3
389.15170	0.5
461.87097	0.3
482.75162	0.3
609.38055	0.3
612.30444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77843	0.3
56.27985	0.2
58.44813	0.2
59.01390	1.0
61.98828	100.0
63.73177	0.2
71.01379	0.3
85.02950	0.4
93.03490	0.3
98.22720	0.3
101.02476	0.3
113.02492	0.5
117.37661	0.2
117.72771	0.2
121.02948	2.5
122.03736	0.4
137.02415	0.3
153.45621	0.2
161.04572	0.6
165.01950	0.7
166.02673	0.2
173.04532	0.4
180.04211	0.4
181.05121	0.2
191.05695	0.8
195.06638	0.3
210.33043	0.2
272.10477	1.1
273.11331	7.1
435.16629	2.2
611.33429	0.2
612.32178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57933	0.2
59.01375	2.5
60.01702	0.5
61.01803	0.2
61.98827	100.0
71.01385	1.0
71.42110	0.3
85.02965	0.5
89.02441	1.2
101.02456	0.6
113.02428	0.3
119.03526	0.8
119.05051	0.3
130.16292	0.2
170.17181	0.2
179.05588	0.3
191.05588	0.5
241.51065	0.3
245.11023	0.2
352.30038	0.2
403.96750	0.3
551.26282	0.6
552.26398	2.8
565.69794	0.3
612.25891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35328	1.8
61.98819	1.6
65.76803	1.6
72.47467	1.7
77.57796	1.5
78.95922	9.5
96.96007	3.9
99.39585	1.7
101.03596	1.5
101.13142	1.6
109.02910	1.8
116.92876	1.9
121.02933	3.4
135.04550	2.3
136.05310	6.6
137.06062	13.5
147.62122	1.7
149.06088	4.5
152.99530	5.4
153.89192	1.6
164.04814	6.3
165.05568	25.5
193.62126	1.8
222.04819	2.1
225.09190	8.2
238.10072	12.7
241.08633	2.1
252.58331	1.8
253.08662	8.4
253.12279	9.5
254.09471	22.7
268.11038	7.2
269.11795	5.9
283.13437	2.9
285.11377	2.4
287.12900	5.7
315.12393	15.9
316.13184	14.0
389.20630	1.8
403.15262	2.6
530.15961	3.0
569.25378	100.0
570.25616	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	612.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93308	0.5
56.55378	0.5
59.24620	0.5
61.98829	100.0
63.83514	0.5
75.06510	0.5
78.95911	1.4
79.21880	0.4
89.92428	0.5
95.39148	0.6
107.53040	0.5
111.54881	0.5
125.07999	0.5
160.01549	0.5
166.99066	0.5
206.82872	0.8
549.34302	1.5
576.13232	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01357	2.5
61.98822	2.0
69.03455	2.0
71.01373	4.1
71.42558	1.6
73.02921	1.9
75.00868	3.1
81.03456	2.6
83.01379	8.3
85.02943	5.0
87.00911	1.6
90.90164	1.4
93.03435	4.0
95.01382	2.1
97.02937	4.1
101.02431	3.8
109.02930	5.5
111.00861	5.9
111.04476	1.8
117.33028	1.3
119.05019	8.2
121.02952	3.7
123.00874	2.4
123.04506	4.3
125.02443	10.2
127.71260	1.3
129.01915	2.7
135.04565	2.5
137.02440	8.5
138.03168	1.7
139.03999	8.8
146.06111	2.0
147.04514	2.7
149.02428	3.2
150.03218	2.3
151.03972	12.7
153.01952	12.4
161.02420	2.5
163.03993	4.1
164.01117	1.7
164.04732	2.0
165.01860	5.8
165.05495	3.3
167.03487	10.4
175.03964	1.3
177.01808	2.5
178.02727	2.2
179.03464	24.3
179.04883	2.1
181.05054	2.0
182.02188	5.8
183.02919	3.9
189.05539	6.0
190.02731	2.0
191.03465	6.9
191.05457	2.6
193.04936	4.1
195.02954	5.1
196.03847	7.2
197.04501	2.3
203.03581	2.7
205.05157	1.5
206.02232	1.8
207.02916	4.0
207.05075	9.7
209.04456	2.9
219.02925	5.2
221.04497	10.2
231.02765	1.5
233.04601	1.4
245.08270	2.2
259.06183	2.3
281.06543	2.1
285.07584	14.2
289.07162	4.6
289.09991	1.9
297.07642	4.1
301.07144	3.2
302.07822	2.4
313.07159	3.1
315.08633	3.3
325.07172	2.5
327.08740	18.5
330.07513	7.9
387.10733	7.5
405.11865	18.4
407.07611	2.3
419.63406	1.6
423.12744	3.1
425.08768	2.6
457.11115	1.9
475.12299	10.4
493.13452	55.5
577.13599	1.6
613.17712	100.0
614.17969	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	613.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16544	0.6
51.05220	0.6
59.01388	1.1
60.83480	0.7
60.92472	0.8
61.98829	35.8
67.50813	0.6
69.21348	3.3
86.15225	0.7
93.03452	3.8
98.22623	1.2
109.02953	1.4
121.02965	3.3
122.03736	14.1
123.04562	1.2
133.02960	1.7
135.04416	0.8
136.01659	4.6
137.02435	12.0
139.04025	1.1
149.02443	12.3
150.03223	82.3
151.00377	4.4
151.04016	4.7
155.71179	0.7
164.04787	3.3
165.01930	59.0
165.05563	82.0
166.02699	10.0
166.05919	1.3
175.03964	1.0
177.01804	0.8
177.05565	1.1
179.03467	8.5
180.04282	39.7
181.05045	11.2
187.04045	1.2
191.03447	1.0
194.05815	1.6
195.06618	100.0
196.06946	2.0
205.05034	2.0
205.08673	1.0
206.05777	1.3
210.05312	8.0
220.07397	1.0
221.08067	1.8
225.07677	43.3
226.08026	1.1
232.84621	0.7
306.07626	0.9
357.09549	1.5
357.13550	3.4
359.11536	0.8
372.11926	1.3
379.18689	0.7
387.11145	1.2
387.14670	12.1
402.12906	1.0
403.14084	0.9
417.15567	12.8
439.33530	0.7
535.20367	0.8
565.20795	4.5
577.19354	2.3
613.22778	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	613.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08259	1.4
59.01379	2.9
61.98820	7.4
64.64477	1.9
64.67122	1.4
69.24870	1.4
69.25175	8.7
70.70001	1.3
74.16243	1.5
80.91672	1.5
83.14338	1.6
84.02145	1.8
87.70128	1.6
93.03424	2.3
101.94931	1.5
106.63870	1.9
107.07284	1.8
109.02912	2.0
112.60977	1.6
121.02962	4.2
122.03739	7.7
134.03714	2.0
135.04538	3.7
136.01653	12.4
137.02443	17.9
147.04495	1.7
149.02432	7.5
150.03233	30.2
151.00340	5.6
151.04010	13.5
155.01624	1.6
161.06050	1.6
162.03204	1.7
163.03925	2.2
164.01123	3.1
165.01927	100.0
165.05562	31.4
166.02693	14.9
167.03404	3.7
175.04012	6.4
177.05502	2.4
179.03494	23.0
180.04274	61.3
181.05069	18.1
189.05550	2.3
190.06355	5.1
193.04990	1.5
194.05797	3.9
195.02930	3.1
195.06618	88.5
196.06937	2.3
210.05312	10.1
225.05586	3.2
225.07686	49.1
276.92786	1.6
294.30707	1.6
357.09552	2.1
357.13467	8.6
359.11401	3.2
366.73953	1.8
373.12915	3.6
386.13559	2.1
387.10577	1.8
387.14536	28.6
402.12842	2.2
417.15356	8.1
443.74686	2.0
447.41354	1.8
535.19366	7.3
565.20721	50.4
566.21100	3.4
613.22595	3.4
613.32141	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	613.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35489	4.0
59.01371	20.7
61.98834	9.3
64.13380	4.4
69.39604	20.5
69.68564	4.1
71.01376	23.3
82.95413	15.0
84.46727	4.2
85.69711	6.0
89.02457	7.2
89.75472	4.2
93.03460	59.2
98.21873	9.0
101.02406	8.1
103.01505	9.0
108.02166	6.4
109.06580	9.2
113.06144	6.1
137.02452	100.0
151.03938	5.2
156.12029	4.8
171.10283	32.4
197.11765	24.2
199.09763	28.1
201.11388	6.6
207.10292	37.8
209.11795	21.8
223.13351	6.7
225.11273	20.5
227.13026	7.4
249.18810	4.7
253.09343	22.8
322.08670	5.4
337.10730	14.9
369.40210	4.5
372.08005	5.4
435.18640	19.4
461.20154	14.7
475.13922	59.1
508.85391	5.2
613.26514	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	613.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98821	3.4
64.69545	1.2
69.43523	5.7
85.00462	1.4
92.52539	1.3
93.03461	2.4
103.01497	72.4
109.02972	1.5
119.92512	1.3
128.32140	1.2
137.02496	1.4
153.01968	2.7
171.10197	1.5
209.11823	4.7
284.19000	1.3
357.14191	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	613.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97861	0.5
59.01070	0.5
59.01367	1.7
61.98813	0.8
64.29859	0.5
69.09089	3.4
78.95914	0.6
95.05014	5.9
105.81928	0.6
113.09731	3.0
114.16248	0.5
160.35439	0.6
179.14398	1.4
182.01961	0.6
195.13876	16.8
215.10480	0.7
217.12115	2.0
237.14642	0.8
246.12325	2.8
249.22238	1.1
251.23755	0.8
276.67865	0.6
277.21722	15.7
278.11270	5.3
295.22754	100.0
296.23099	2.9
299.19931	1.1
305.70416	0.7
315.19376	1.4
317.20935	50.1
318.21329	1.2
361.19910	3.2
523.21521	0.7
577.22485	0.8
581.21991	0.6
613.44360	23.7
614.44543	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	613.445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	0.4
69.72080	0.5
72.99321	0.3
83.05030	0.6
84.02233	0.3
95.05045	0.3
98.21903	0.4
109.06593	0.5
111.08031	0.2
127.11274	1.5
141.12857	12.5
155.14423	5.6
169.15993	0.4
191.18127	0.3
195.48885	0.3
221.03152	0.3
231.21254	0.5
247.20636	0.5
249.22221	12.6
249.31990	0.3
250.22636	0.4
277.21710	0.9
293.21048	0.4
295.22769	100.0
296.23148	3.5
613.44452	59.2
614.44739	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	614.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30474	0.1
56.33278	0.1
59.01375	0.9
61.01826	0.2
61.98829	100.0
69.24402	0.4
69.24812	0.3
70.60079	0.1
82.23793	0.1
93.02480	0.1
132.80576	0.2
136.05325	0.4
137.05702	0.2
161.04654	0.3
227.10767	3.6
228.11079	4.4
229.11377	2.1
230.11714	1.1
235.55978	0.1
346.28998	0.1
389.16278	0.2
390.16455	0.8
391.16586	0.8
392.16943	0.7
399.90106	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	614.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12018	0.5
55.01878	2.5
57.03447	1.1
59.01380	17.0
61.98831	29.6
65.85562	0.4
69.10889	2.0
69.11295	0.9
71.01385	8.3
71.05013	1.2
72.11406	0.4
73.02927	1.7
75.00856	1.4
75.77814	0.5
77.40582	0.4
83.01383	1.4
85.02951	4.8
87.00874	0.6
89.02441	6.1
94.61302	0.4
95.01385	0.8
96.95973	0.6
98.21892	1.2
99.00880	0.5
101.02453	5.3
109.02919	0.5
112.01650	1.6
113.02454	16.7
119.03491	1.5
121.02938	0.6
121.06586	0.7
122.03722	1.9
123.04525	1.1
124.01675	0.8
125.02437	4.1
127.03993	1.8
134.03734	1.0
135.04405	0.5
135.08131	0.6
136.05272	0.5
137.06071	1.0
139.00362	0.8
139.04013	3.3
143.71565	0.4
144.00647	1.0
149.06085	1.5
150.03172	2.5
151.03951	0.9
161.04662	0.5
163.07632	1.7
164.04810	0.5
165.05573	3.9
167.03554	1.3
168.04224	0.5
177.09218	0.9
180.66461	0.5
191.10788	0.9
193.05130	3.8
195.10246	0.6
207.06450	0.6
207.10233	0.7
209.11752	1.0
210.98018	0.4
216.10262	0.6
235.09761	0.9
253.10820	0.6
332.14978	0.6
341.10226	0.6
364.17349	0.7
389.12408	1.5
389.92554	0.6
420.20480	0.7
434.21719	1.8
436.60297	0.6
452.22769	4.9
464.24063	0.5
582.25635	11.8
596.27106	16.6
597.27490	1.0
614.28131	100.0
615.28436	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	615.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98827	2.4
69.07382	1.1
69.07789	0.8
71.01369	1.0
73.76592	0.3
85.02931	0.4
89.02438	0.6
89.03970	0.8
93.03457	0.7
96.95987	1.8
101.02458	0.4
105.03462	1.6
113.02425	1.0
115.04039	0.4
116.92844	0.9
121.02907	0.6
133.02956	5.5
135.04480	0.6
137.02394	0.4
138.03221	0.4
139.04008	1.0
147.86060	0.3
149.02449	0.8
150.04201	0.4
153.05626	0.4
159.02972	0.5
161.02460	0.6
173.04541	1.1
176.01192	1.6
177.01920	100.0
178.02272	2.2
179.03491	0.7
191.05550	1.7
197.04556	0.7
206.08215	0.6
313.11917	0.3
339.07172	49.3
340.07361	1.8
345.13638	0.4
355.84756	0.3
396.67435	0.3
429.77377	0.3
435.09338	0.5
453.10437	1.0
486.41623	0.3
495.11487	1.7
496.11710	0.4
502.15408	0.5
525.29510	0.3
543.43243	0.4
615.17566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.98811	0.4
62.58678	0.4
69.16026	2.2
69.41965	0.4
71.01389	1.9
71.04982	0.4
79.57439	0.4
80.91673	0.6
89.02438	0.9
89.03953	0.6
93.03461	0.6
96.96000	1.5
101.02441	0.7
101.29929	0.4
105.03442	1.4
107.05019	0.9
113.02465	1.2
115.04006	1.4
116.92921	0.5
133.02946	4.0
135.04547	0.6
139.03996	1.1
150.04216	0.4
159.03011	2.1
159.04120	0.5
173.04559	0.8
176.01147	1.8
177.01920	100.0
178.02281	1.4
179.03416	0.4
179.05606	0.5
180.59491	0.4
191.05571	1.5
274.63190	0.4
339.07181	48.5
340.07474	1.6
340.32309	0.4
341.08594	1.1
368.11322	0.4
377.58289	0.5
453.10327	0.5
455.11853	1.1
495.11307	0.7
555.21674	0.4
585.03601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.4
61.10573	2.6
61.98827	3.6
71.01379	9.2
89.02435	11.5
94.78661	2.5
101.02438	5.9
101.82449	2.2
102.66307	2.6
113.02415	5.2
119.03485	6.3
134.03738	50.7
137.02444	5.9
149.06111	12.6
150.03227	5.8
151.03999	10.2
161.04475	4.1
165.05527	4.5
178.02734	24.6
179.05624	7.6
191.05513	3.1
193.05055	100.0
195.06610	3.7
339.12405	9.6
363.58340	2.7
519.18616	8.1
537.19611	3.0
553.36194	2.3
579.20740	10.8
615.17938	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	615.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20403	0.6
55.44482	0.6
59.01377	4.7
61.98820	3.2
69.03464	0.7
71.01357	1.5
79.54440	0.8
82.95426	0.8
85.02974	0.8
87.00870	1.7
92.02657	0.9
93.03455	90.1
98.21841	2.8
101.02455	1.6
108.02160	1.7
109.02955	3.0
109.06612	2.5
118.18005	0.7
136.01660	12.7
137.02440	100.0
138.02823	0.7
139.04021	1.2
151.03998	8.1
160.05345	0.7
163.11346	1.3
165.05521	0.9
171.10269	12.9
181.12213	0.8
185.84334	0.7
188.04800	1.9
203.07069	0.9
207.10226	6.0
225.11316	4.2
253.09299	1.7
258.07639	3.6
259.07974	2.4
266.69312	0.6
327.12350	1.3
458.43781	1.0
461.20404	1.4
495.16464	1.0
615.18732	95.2
616.19031	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.187
Annotation	Upunoside D
Peak:m/z	Relative Intensity
59.01382	6.1
61.98816	1.7
69.85882	1.3
71.01387	0.8
73.02937	0.7
82.95451	0.5
85.00467	0.6
85.59839	0.5
87.00883	0.7
89.02427	1.0
92.02671	1.6
93.03458	79.0
94.03799	0.7
95.01366	0.9
101.02458	0.9
107.05014	0.9
108.02166	2.1
109.02895	1.1
109.06606	0.9
113.02486	0.6
116.92908	0.6
125.09733	1.1
136.01654	14.7
136.02606	1.0
137.02441	100.0
138.02750	1.0
149.02405	0.7
151.04002	10.8
159.04420	0.6
163.11267	0.7
165.05537	0.5
171.10278	7.6
173.04483	0.9
191.05588	1.1
201.67990	0.5
207.10266	3.8
225.11337	2.1
461.20285	1.1
471.82605	0.6
495.16669	1.2
541.86340	0.6
597.29083	0.8
606.34741	0.6
615.18701	88.5
616.18921	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	615.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83751	0.6
61.55354	0.5
61.98814	1.0
65.03966	0.6
66.36850	0.6
69.79417	1.3
69.79749	0.7
74.45503	0.6
75.59711	0.7
92.02663	1.2
93.03455	81.6
94.03780	0.7
100.72831	0.7
112.27083	0.6
136.00687	0.6
136.01646	2.3
137.02438	100.0
138.02756	1.3
146.03615	0.8
162.03221	2.2
177.05560	1.1
217.00345	1.1
242.32893	0.8
304.00153	0.6
315.08823	1.8
374.99152	1.3
489.39600	0.7
495.16571	10.1
615.18817	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	615.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98834	5.4
69.03445	3.9
69.30621	6.0
69.31044	3.6
71.01379	33.8
73.02930	3.1
73.47342	1.9
82.95470	1.9
83.01412	1.9
83.05011	1.7
85.02948	5.5
87.00916	3.7
89.02444	34.0
93.03447	4.5
95.05006	1.8
96.96023	4.3
97.02953	2.5
101.02444	24.3
103.00341	2.7
107.05063	2.0
111.00884	1.9
111.04550	3.0
113.02457	27.1
119.03512	13.1
121.02908	1.6
131.03528	3.3
135.04547	3.5
137.02438	4.5
139.03992	14.6
143.03470	2.2
147.11768	1.7
148.08929	3.8
155.03595	1.8
161.04506	4.0
161.13383	8.2
165.01965	3.2
166.02275	2.1
171.10268	7.6
173.04547	4.6
179.03554	2.5
179.05637	3.9
181.04768	2.5
185.13274	4.9
187.11287	22.8
191.05620	7.2
194.43622	1.9
195.06636	2.4
196.07071	3.1
203.14378	10.2
205.12314	20.7
206.12834	2.2
207.10172	3.5
219.13893	2.4
225.11357	3.9
229.12294	11.2
231.14063	1.6
247.13335	12.5
249.11285	3.2
255.08978	1.8
277.05444	1.6
279.10858	72.7
320.68225	1.7
377.86136	1.8
467.22739	28.4
501.23587	11.3
511.21204	11.6
529.22858	4.2
567.21484	3.2
571.23560	13.1
615.25671	3.2
615.34174	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	615.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90854	1.0
53.45602	1.0
54.75837	1.1
55.01876	1.2
57.03439	1.1
59.01378	24.3
60.19137	1.0
61.98822	9.2
67.27272	1.0
69.03440	1.7
69.12733	7.1
70.35059	1.2
71.01384	9.4
73.02948	3.0
76.86295	1.1
78.91878	2.5
80.91674	1.4
83.05025	1.3
85.02956	3.8
87.00866	2.2
88.98840	1.4
89.02422	6.7
93.03457	2.0
93.26122	1.2
95.01400	1.3
95.05026	8.5
96.96020	7.2
98.95605	2.9
99.92574	5.4
100.93364	2.3
101.02455	4.9
107.05018	3.2
108.02223	1.9
109.02975	1.5
111.00854	2.9
111.04509	3.0
113.02461	9.7
113.06067	9.9
113.99600	1.4
114.94936	1.2
115.04012	10.2
115.92101	2.6
116.92862	15.1
119.03500	3.3
121.02960	1.4
122.06132	1.3
123.04529	1.3
129.05579	5.0
134.03716	4.6
135.04494	1.3
136.04045	1.8
139.04010	100.0
140.04398	1.8
146.01030	1.2
150.03258	2.0
152.01160	3.3
155.03517	3.4
157.05095	4.8
158.93892	4.0
159.02966	11.2
161.04587	2.5
167.03484	3.4
173.04507	2.3
178.02754	2.2
191.05705	6.0
193.04988	7.0
195.06590	1.3
201.04047	35.9
249.14728	1.2
288.53412	1.1
334.79059	1.2
341.08884	1.8
457.20789	1.7
571.23834	4.1
577.28772	2.1
579.30676	2.7
615.12402	1.3
615.23560	6.0
615.35809	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	615.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01378	15.9
61.98814	4.6
66.26771	0.9
67.05529	0.9
69.03453	1.2
70.37210	1.0
71.01383	6.0
71.05009	1.1
73.02943	2.3
78.91860	6.6
80.91683	2.0
81.03440	1.4
82.95383	1.3
83.04989	1.0
83.66252	1.0
85.02931	2.3
87.00851	3.5
87.04494	1.2
89.02422	2.9
91.48190	1.0
93.03455	2.6
95.05020	5.2
96.95982	3.4
96.96696	1.0
101.02437	3.0
109.02932	1.4
111.00902	1.8
111.04541	1.6
113.02444	4.9
113.06081	16.3
115.04006	17.1
116.61233	1.1
119.03508	1.6
119.05035	1.2
121.03035	1.2
129.05605	5.3
131.03496	1.2
135.04533	1.2
137.02457	1.1
139.04008	100.0
140.04375	1.7
143.03516	0.9
155.03456	3.0
157.05063	9.4
159.02983	16.1
161.04581	1.7
167.03531	1.3
173.04498	1.5
191.05583	3.9
201.04036	47.8
205.12354	1.1
271.02649	1.3
299.01877	4.3
453.08319	2.9
469.17117	2.2
471.59378	1.0
501.22147	1.7
553.22876	1.8
571.23608	3.2
578.38208	1.1
615.27380	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.3
59.01377	100.0
61.98818	3.6
69.03455	2.0
69.43892	9.3
69.53375	1.8
71.01380	41.0
72.99273	2.2
82.95393	3.0
83.01382	4.3
85.02943	6.4
87.00886	4.7
89.02441	36.8
93.03419	2.3
96.96008	4.4
101.02431	21.5
111.04539	2.7
113.02450	21.6
119.03525	13.3
119.23965	1.8
131.03505	2.2
133.01450	2.6
135.04495	2.4
139.04027	11.3
143.03401	3.2
147.11841	2.8
148.08882	2.3
161.04504	3.6
161.13383	9.8
172.08842	1.9
179.05576	3.7
185.13400	5.9
187.11278	29.6
191.05577	5.6
201.12865	2.9
203.14409	8.3
205.12321	27.1
207.10129	2.5
210.99187	2.1
219.13876	2.5
229.12247	16.1
244.77289	2.4
247.13321	11.6
277.14258	2.4
279.10818	83.9
289.14526	2.7
307.15320	3.9
430.31653	2.1
467.22781	34.4
469.17657	3.3
494.33356	2.3
501.23117	2.3
511.21854	11.8
529.23041	5.3
571.23889	19.0
615.33148	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	615.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77680	0.4
59.01377	100.0
60.01710	0.5
62.45588	0.4
64.45345	0.3
70.64037	0.5
71.01389	1.4
72.61259	0.4
75.00884	0.4
89.02444	0.6
101.02428	0.8
103.00372	2.1
103.01494	79.5
109.02931	0.9
109.06597	2.3
113.02503	0.4
117.20068	0.4
135.08043	0.4
163.11290	1.5
171.10275	12.7
207.10255	6.5
209.11806	0.5
213.17326	0.4
225.11317	2.8
253.09193	1.5
258.07617	1.5
333.15015	0.4
337.24124	0.5
369.96143	0.4
378.36288	0.4
396.64667	0.5
461.20380	0.8
578.43860	0.4
615.29840	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	615.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98370	0.5
56.13188	0.5
60.52516	0.5
69.27438	2.2
71.16357	0.5
78.95898	7.8
79.95742	2.0
80.95251	0.5
91.03991	0.6
96.00925	1.1
96.92212	1.0
96.96009	100.0
96.96915	9.5
109.63347	0.5
113.92633	0.6
115.07389	0.6
139.30811	0.6
214.48651	0.6
239.13054	0.5
305.67767	0.5
307.24603	0.6
307.29922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	20.3
64.52800	19.8
74.20969	19.0
85.32494	19.4
91.20681	24.2
441.50220	26.1
615.31299	30.2
615.39978	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	616.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90179	3.3
55.01851	4.1
59.01378	100.0
61.98827	15.8
66.73820	3.1
69.15932	6.0
69.16346	12.8
70.65719	2.7
71.01383	29.1
73.02947	11.4
76.39859	2.9
79.13068	2.6
79.84811	2.8
82.95404	11.4
83.01375	5.2
83.05018	8.1
85.02953	9.7
87.00868	7.1
89.02455	17.0
93.03431	14.9
94.13223	2.8
95.56659	2.7
96.96050	4.9
101.02437	18.5
109.06504	3.0
113.02421	15.3
113.72180	2.9
116.92855	3.9
119.03538	6.2
135.04500	6.1
137.02463	10.1
139.04030	14.4
139.07654	15.6
150.03206	4.8
161.02452	13.4
161.04524	7.2
162.02744	4.0
171.10272	25.9
173.04556	10.1
181.12321	4.7
186.39040	2.7
191.05602	23.1
207.10258	9.3
209.11716	6.6
225.11414	6.5
253.09158	4.4
349.89374	3.9
352.15607	3.8
411.70236	3.0
418.18591	3.6
502.26511	65.9
615.33533	4.3
616.19672	7.3
616.33197	15.4
618.23431	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	616.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89897	4.2
59.01379	100.0
61.98811	4.3
71.01389	25.7
73.02960	39.5
78.23463	4.2
80.73045	4.0
83.01385	11.3
89.02452	15.9
93.03454	7.1
94.76636	6.1
101.02429	35.9
113.02457	22.0
119.05016	60.7
139.03976	11.1
161.04541	14.9
163.03998	61.0
171.10239	16.6
173.04498	8.1
191.05569	15.9
209.11932	5.7
366.19250	4.5
443.47083	4.7
449.81525	4.7
459.94608	4.4
550.46155	4.8
616.33386	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	616.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80009	4.1
56.68161	3.9
59.01375	100.0
61.98811	15.4
71.01385	25.1
73.02943	37.4
82.95419	5.7
85.02956	8.1
89.02430	21.0
93.03470	4.7
98.22608	12.6
101.02441	32.4
113.02446	19.3
113.12057	4.6
119.03497	4.6
119.05011	19.3
127.46935	4.0
127.91151	4.3
139.03999	10.9
143.03450	6.3
149.04538	8.6
161.04570	13.1
163.03972	17.4
171.10321	7.6
173.04510	6.7
181.67970	4.3
191.05548	12.9
209.11877	5.1
309.09796	4.7
341.34888	4.4
398.01837	4.9
466.24921	5.7
615.31610	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	616.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.9
61.98829	100.0
70.64915	0.5
71.01376	0.7
75.31319	0.3
80.05948	0.3
81.03403	0.3
83.05083	0.3
89.02451	1.0
93.03469	0.4
101.02444	0.7
116.92902	0.3
134.54918	0.3
149.04645	0.4
173.04573	0.4
293.08942	0.4
320.59518	0.4
412.74796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71790	8.9
59.01394	16.9
61.98830	27.5
70.62029	13.6
70.62376	14.9
71.54296	9.3
75.74857	9.6
75.88264	8.1
85.02964	9.3
113.66496	11.4
119.85416	10.7
135.04514	29.3
165.05585	14.1
177.01920	13.1
177.76859	10.4
290.49988	9.6
566.22369	96.9
616.21576	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	616.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11552	0.9
61.98830	100.0
64.26611	1.0
69.07831	3.3
69.08232	2.4
73.14091	0.9
74.71723	0.8
84.93856	1.1
87.29187	0.8
90.44802	0.9
92.03647	0.9
104.03963	1.0
111.10688	1.0
113.44393	1.0
132.34053	0.9
159.21812	1.0
183.94154	0.9
255.23381	3.0
553.37451	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16626	0.7
59.01377	100.0
60.37675	0.8
61.98832	1.6
92.17008	0.7
110.47662	0.8
115.02531	5.6
117.00463	6.2
125.07699	0.7
132.98230	3.8
133.09836	0.7
141.00427	1.2
148.78618	0.9
157.03545	1.1
159.01488	52.7
160.01588	2.7
174.43758	0.9
174.99239	36.0
187.00909	1.2
192.95805	3.6
201.02554	13.0
202.02750	1.2
217.00288	81.9
218.00746	1.2
232.98291	2.2
248.96170	0.8
259.01611	1.4
274.99454	4.5
290.97159	2.9
298.99377	0.8
301.02628	26.2
301.06152	1.4
302.02853	1.8
317.00394	56.8
318.00717	2.4
331.02237	0.9
332.98184	18.4
359.01489	3.9
374.99243	30.4
375.99561	1.5
390.96945	1.1
432.98264	1.2
459.01501	4.9
474.99298	32.3
475.99786	1.5
514.97247	1.7
555.00421	1.6
556.98334	38.9
557.98700	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.2
63.41471	1.7
71.01013	3.3
71.01385	49.4
73.02924	2.1
83.01368	3.3
85.02965	12.7
87.00888	3.2
89.02447	58.5
89.03012	2.9
95.01397	2.7
101.02444	28.4
109.35751	1.7
113.02448	33.6
119.03497	19.6
125.02483	2.0
126.82864	1.7
131.03468	3.7
131.98834	1.7
136.91919	1.7
143.03470	6.9
154.90855	1.6
161.04553	8.7
162.50276	1.9
163.17894	1.9
179.05629	22.1
225.08727	2.2
235.59598	2.0
248.92798	1.8
278.13718	1.7
323.09821	19.6
341.10767	2.3
412.35349	2.2
472.28406	1.9
503.16174	100.0
504.16626	4.9
617.19348	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2016
Annotation	Kadsuphilol F
Peak:m/z	Relative Intensity
50.18519	5.0
59.01376	9.3
61.98839	27.4
62.75070	4.9
69.03439	5.4
69.16814	24.2
71.01380	5.7
71.63956	4.7
87.04556	7.9
89.02467	6.8
92.67115	5.1
98.22684	9.0
113.02434	6.2
131.03514	13.2
131.04582	10.5
151.07648	24.6
191.10724	5.4
255.10239	6.3
257.11832	67.3
338.48425	5.8
363.73886	5.4
417.15134	8.4
419.16953	25.6
486.73483	7.3
617.20013	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	617.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93054	0.8
55.01869	1.2
57.03436	1.2
57.25814	0.8
59.01377	29.7
61.98808	2.1
71.01381	20.4
71.43600	0.9
73.02943	5.0
78.97736	0.8
79.78747	0.8
83.01364	2.3
85.02950	7.4
87.00853	2.3
89.02454	10.7
93.03460	2.3
94.35954	0.9
95.01403	1.0
96.95982	2.6
97.02984	1.0
101.02445	14.2
106.04247	12.4
111.00887	0.9
113.02445	10.1
119.03481	3.6
119.05009	2.4
121.02969	0.8
131.03448	2.3
136.05211	1.3
139.04007	4.9
143.03494	4.0
151.07628	3.3
159.02969	1.6
161.04547	8.5
163.03998	3.0
171.10291	9.5
173.04527	1.2
179.05612	3.0
191.05618	4.5
201.04094	1.5
209.11853	9.0
221.06676	4.1
227.12875	1.7
253.09245	1.6
257.11819	100.0
258.12192	4.2
304.68671	0.8
323.09750	3.1
327.13284	0.8
353.67200	0.8
399.23840	1.0
419.17307	5.2
426.45221	0.9
503.24783	3.5
579.20068	0.9
581.22369	83.5
582.22662	6.4
601.24951	1.2
601.74774	0.9
610.13495	0.9
617.19751	4.4
617.32935	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	617.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56264	0.6
59.01358	2.0
61.98828	7.8
69.61930	2.2
69.88042	0.6
71.01369	1.3
79.58928	0.6
82.95406	0.7
85.02959	0.8
86.05053	0.6
89.02448	1.0
93.03445	1.1
96.95992	1.2
101.02451	1.0
113.02448	1.1
119.41717	0.6
135.04474	0.8
136.05276	2.8
137.06091	0.7
151.07663	4.9
161.02423	1.8
164.04788	1.2
165.05574	5.9
166.06343	9.7
191.05539	1.2
205.04907	0.7
227.10799	1.1
242.09457	1.9
255.10292	8.0
256.10950	3.6
257.11819	100.0
258.12183	3.2
289.26569	0.6
417.15381	3.3
418.16180	1.1
419.17099	91.3
420.17554	4.1
581.22235	3.1
608.78137	0.7
617.19940	7.7
635.84387	0.6
640.45551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98824	2.2
63.86024	1.9
71.01382	58.0
71.08660	2.6
72.99290	3.1
73.02964	3.9
85.02949	9.1
89.02447	81.7
93.03437	3.3
95.01385	4.7
101.02447	30.6
113.02432	24.1
119.03495	30.4
131.03535	4.2
141.68912	2.4
143.03503	7.3
149.04573	3.0
149.38496	2.1
161.02425	2.2
161.04549	11.3
179.05630	34.3
189.09210	15.5
191.10742	2.3
193.05324	2.2
217.79138	2.2
262.47427	2.1
324.94611	2.6
393.15668	3.4
412.22650	2.4
513.19305	3.6
599.02222	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	617.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24984	0.4
59.01384	0.6
61.98830	1.8
70.61147	0.5
70.61492	0.7
82.78470	0.5
93.03428	1.8
99.92597	2.8
106.04259	0.5
116.92860	24.5
117.01913	0.7
117.92863	0.6
121.02934	2.5
133.10196	0.5
134.03743	8.4
135.04027	0.4
150.03204	0.5
161.09685	3.3
171.08136	4.0
173.06075	2.6
173.39561	0.4
174.06898	0.7
187.07651	0.6
189.09200	17.8
193.05055	1.5
194.05333	0.9
207.10254	100.0
208.10625	2.2
316.37616	0.4
348.17245	0.4
355.84476	0.5
369.15546	23.3
411.16574	10.4
412.16925	0.6
422.25616	0.4
426.04117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68117	1.2
51.97092	1.2
52.92500	1.5
59.01376	100.0
61.98828	15.4
65.64283	1.1
69.03448	2.0
69.82436	1.5
69.93776	3.5
71.01383	29.4
73.02944	67.4
75.00830	1.4
83.01388	15.3
85.02950	4.3
87.00864	2.1
89.02449	22.4
95.01382	2.2
101.02444	53.2
106.04251	1.8
113.02456	17.2
116.92831	1.5
119.03518	14.9
123.04553	2.2
131.03484	6.6
143.03462	7.7
149.03514	1.7
149.04578	16.5
150.03209	2.0
150.79082	1.2
154.56453	1.3
156.24240	1.2
161.04553	29.4
161.09726	3.7
179.05576	12.4
189.09209	26.0
191.05621	2.8
203.05551	3.8
207.06741	1.6
221.06633	26.1
222.87747	1.3
257.08051	3.7
275.00586	1.3
419.13617	1.6
464.09564	1.5
494.19724	1.4
533.29718	1.7
573.21802	37.8
617.20276	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	617.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95371	1.8
59.01379	100.0
61.98827	8.8
69.03440	3.1
69.14882	11.8
71.01381	26.5
73.02943	66.1
83.01380	10.6
85.02962	5.4
89.02441	10.1
89.02951	2.0
93.03437	3.5
95.01357	2.9
96.89348	2.0
96.95997	6.3
97.02950	2.8
101.02439	45.6
113.02466	16.8
119.03506	6.1
121.02987	3.2
125.02451	2.6
131.03519	5.2
135.04500	2.4
143.03520	4.9
149.04521	10.2
158.44740	1.9
161.04572	19.1
173.04568	4.0
189.09224	5.6
191.05566	3.8
191.10863	2.5
203.05588	3.9
221.06651	4.0
221.11206	1.9
236.56529	2.4
243.05490	12.4
244.05928	4.6
258.08899	3.1
273.11362	2.0
275.63940	1.9
301.85724	2.0
407.15027	2.8
621.13928	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	617.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88481	1.0
56.32596	1.1
59.01379	18.6
69.03467	1.4
69.60742	2.7
69.61101	2.4
71.01373	7.9
71.05016	1.6
73.02932	1.7
85.02939	2.1
89.02458	4.9
89.33540	1.1
91.65208	1.2
94.84230	1.1
95.05045	8.0
97.03027	1.2
97.75594	1.5
100.20778	1.4
101.02469	4.6
113.02467	4.2
113.06086	13.1
115.04005	13.8
119.05037	5.9
129.05589	4.4
139.04012	100.0
140.04391	1.3
157.05078	6.5
159.03006	18.4
161.04568	2.1
161.13361	2.3
163.04018	4.8
179.05620	2.0
187.11292	1.5
201.04054	46.0
205.12289	3.3
309.14267	1.1
339.34268	1.4
513.20831	3.5
515.25220	2.1
551.18915	1.6
555.24121	2.2
573.25586	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	617.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.8
61.98832	1.4
66.63950	0.8
68.99814	1.3
69.03433	0.9
69.42976	4.0
69.43305	0.9
71.01383	7.8
71.05035	0.9
73.02940	2.5
82.95421	3.8
83.01374	1.0
85.02959	2.7
87.00901	1.2
89.02436	4.2
90.85342	0.8
95.01406	1.0
95.05019	7.4
96.96021	2.4
98.21822	1.2
101.02442	3.2
111.04472	1.1
113.02457	4.5
113.06091	12.7
115.04027	11.8
116.92883	0.8
119.03531	2.6
119.05026	8.1
129.05600	3.5
135.04539	1.5
139.04012	100.0
140.04355	1.6
148.59439	1.0
148.60707	0.9
157.05078	6.8
159.02980	19.3
161.04579	2.2
161.13344	1.2
163.04027	8.2
171.09363	0.8
173.04582	0.8
179.05612	1.7
185.41701	0.8
187.11263	2.5
191.05649	2.4
201.04037	48.0
202.22057	0.9
205.12344	3.0
217.00310	1.9
250.49672	0.9
309.13696	1.7
325.11353	1.3
343.87534	0.9
348.70984	0.9
383.80377	0.9
445.41589	0.9
453.17963	3.0
471.18906	4.5
486.91559	0.9
513.20331	6.3
515.24640	1.1
555.24750	1.8
557.20953	1.0
573.25592	2.3
614.60303	0.9
617.28473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62165	1.1
59.01378	26.3
61.98830	6.6
63.50381	1.1
66.91501	1.3
67.05521	1.3
69.03437	3.8
69.34711	5.4
71.01381	15.6
80.78428	1.1
80.91680	2.3
82.95399	2.6
85.02958	2.9
87.04504	1.3
89.02443	19.9
89.48125	1.3
95.05033	7.2
96.96001	3.7
101.02462	7.7
102.46766	1.1
111.04471	1.3
113.02441	15.0
113.06101	12.0
115.04021	10.7
116.92861	1.9
119.03513	6.3
121.11229	1.1
129.05545	4.5
139.04012	100.0
149.04506	1.3
157.05055	4.7
159.02965	16.2
161.04529	2.9
179.03947	1.4
179.05602	13.0
191.05583	1.5
199.68744	1.1
201.04057	36.3
203.10728	3.6
369.22467	3.3
399.24170	1.4
407.16498	1.2
413.21594	3.4
525.29883	1.3
573.25220	2.0
579.30243	11.5
581.31042	1.9
617.28119	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	617.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10841	0.5
59.01377	26.9
67.90556	0.6
69.03452	0.7
69.87688	1.7
71.01368	6.8
71.01672	0.6
73.02946	2.3
80.02701	1.2
81.03468	0.5
83.01390	1.8
83.05022	4.8
84.02193	0.6
85.02956	3.8
85.06637	0.6
87.00880	2.4
89.02455	3.2
93.03457	0.9
95.01353	0.7
95.05013	1.2
96.95967	0.9
97.06771	0.5
101.02432	4.9
103.68482	0.7
106.04247	0.7
107.04993	0.9
111.00877	0.8
112.98577	0.8
113.02486	2.9
116.92859	1.1
119.03490	0.8
124.01599	0.7
125.02419	0.8
125.09703	1.4
127.11309	1.6
135.04497	3.2
139.04037	5.2
143.03552	1.4
153.09213	0.8
154.52190	0.6
161.04579	1.0
161.09686	1.0
163.03990	0.6
163.11278	3.4
165.12823	2.1
171.10262	100.0
172.10561	2.6
179.03421	0.6
179.05540	0.7
193.35320	0.6
197.11790	1.1
199.13432	0.9
201.11320	0.6
205.08698	1.8
209.11816	88.9
210.12111	1.9
212.66786	0.6
227.12865	13.1
235.08257	3.8
253.09285	7.6
255.06686	0.9
255.10211	1.1
271.09750	1.8
341.13834	1.6
369.26413	1.0
407.19119	1.7
445.21014	1.2
463.21924	0.6
513.30627	27.2
514.30933	1.3
531.31787	12.3
532.32062	1.1
573.32739	4.8
574.32434	1.5
604.76245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
59.01377	100.0
60.84706	1.1
61.98819	7.2
69.03465	1.4
69.23029	6.9
70.84839	1.2
71.01379	24.3
73.02938	6.9
81.03468	1.8
82.95410	2.1
83.01385	3.7
83.05025	6.1
84.09869	1.3
84.95115	1.9
85.02950	10.7
87.00848	3.8
89.02434	9.0
89.10497	1.3
93.03467	3.3
95.01376	2.1
95.05001	1.6
96.95990	4.5
99.00872	2.8
100.93375	1.3
101.02454	14.5
107.05035	2.0
109.02880	1.5
111.00890	2.3
111.04536	1.8
113.02457	17.2
115.92036	1.5
116.07195	3.1
116.92847	2.8
119.03461	3.5
119.05029	6.7
124.01608	1.4
125.02460	3.1
127.11279	2.9
135.04506	4.2
137.38771	1.1
139.04025	12.1
143.03444	3.0
153.12796	1.4
155.03499	1.4
159.08130	2.0
161.04524	4.6
163.03970	5.6
163.11226	3.6
165.12842	1.5
171.10271	63.4
172.10675	2.8
173.04570	3.5
175.83014	1.2
177.09196	2.2
179.05688	1.7
191.05612	6.7
197.11797	5.0
199.13466	1.6
201.11365	6.2
203.07124	4.6
209.11823	57.3
210.12215	2.0
213.11305	2.1
221.08194	8.2
227.12921	11.4
235.08214	2.9
253.09206	6.0
295.57574	1.2
323.12814	3.6
341.13898	10.8
351.25449	2.9
367.40451	1.4
369.09708	2.3
369.26352	4.8
488.50290	1.6
502.26147	1.9
503.19962	1.5
503.26608	9.4
504.28003	3.5
513.30676	78.3
514.31079	7.6
531.31885	25.2
532.32013	3.8
555.31494	4.9
573.32544	4.7
574.32245	9.0
617.16943	1.8
617.34143	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98824	0.9
63.59412	0.6
69.07536	1.8
69.07951	2.7
73.72652	0.6
75.00874	0.7
75.33169	0.6
96.96011	1.2
98.21774	1.1
99.23001	0.7
103.00385	2.5
103.01493	73.4
106.94743	0.6
153.13162	0.7
161.56992	0.6
164.05826	0.7
219.15732	0.7
237.42087	0.7
314.20352	0.7
319.04794	0.8
358.78525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98808	5.0
67.47215	4.7
78.95898	13.5
96.96001	39.1
103.01492	77.6
105.85304	5.2
127.33080	5.1
158.85143	4.8
305.74323	5.8
355.34991	6.4
469.82028	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	618.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31601	2.8
55.14174	2.9
58.02971	14.4
59.01373	13.9
61.98825	5.7
67.01871	4.0
69.50900	2.4
69.74142	5.7
70.02961	5.8
71.01381	12.1
73.02943	3.0
85.02944	2.9
86.02422	2.6
87.00906	3.3
89.02432	6.4
91.05534	7.6
93.03433	28.2
96.96012	5.3
101.02427	9.5
103.65624	2.5
111.04514	3.9
119.03500	4.9
120.01239	39.4
134.03723	15.8
137.02412	3.2
147.04568	14.6
155.03560	3.2
164.07149	54.8
172.43108	2.8
173.04549	70.2
191.05598	15.2
193.05034	11.5
205.44936	2.7
206.08212	100.0
207.08575	3.9
219.11520	3.7
323.09894	3.8
364.27844	2.7
367.10370	17.2
393.16116	2.9
411.40854	2.9
618.22137	56.0
618.31519	4.3
619.21796	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	618.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85598	1.6
61.98827	100.0
69.45314	7.9
73.34436	1.7
78.95908	2.5
81.77008	1.6
93.36207	1.6
96.39386	1.5
96.96009	2.4
125.12502	1.5
465.89819	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	618.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	5.6
59.01397	1.2
61.98820	2.2
74.02476	10.0
82.02969	1.3
86.02464	5.4
87.05640	2.9
96.95981	0.9
99.05647	10.6
101.07216	1.4
102.05582	1.7
109.04089	1.5
112.04084	2.0
125.03514	1.3
128.03543	28.9
130.43408	1.0
135.05675	2.8
141.06686	2.6
143.04623	33.7
145.06166	1.9
146.04591	3.1
150.87173	1.1
153.06686	1.5
160.00797	10.4
166.09886	2.3
167.04660	1.9
167.08319	1.2
177.03397	2.8
179.04620	9.1
179.37868	1.1
181.06183	1.3
185.05672	1.3
197.05592	1.4
210.08846	8.2
254.07846	9.5
272.08887	16.5
288.06638	6.6
306.07651	100.0
429.32770	1.1
618.30505	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	618.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28442	4.8
54.32177	5.0
59.01365	21.9
61.62439	5.2
61.98822	16.5
66.20789	5.2
70.79283	10.6
77.88934	6.8
89.72661	4.7
110.32587	4.7
171.10199	14.9
191.05589	6.2
209.11792	100.0
227.12877	15.4
357.62198	6.3
397.02722	5.9
397.63232	6.1
613.99768	5.9
618.33746	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	619.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06669	0.7
61.98799	1.2
65.00340	0.8
71.01014	0.9
71.01380	12.1
83.45132	0.6
84.88169	0.7
84.98869	0.6
91.01884	4.2
108.02161	3.8
115.00372	7.0
118.59629	0.9
123.04522	23.7
124.04860	0.8
125.02422	2.3
126.55573	0.7
128.89542	0.8
135.04503	1.7
152.01122	5.6
154.06215	1.2
167.03485	100.0
168.03867	1.7
197.04585	1.9
283.04587	10.2
301.49490	0.9
332.02551	0.8
561.27509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52833	0.3
55.01877	0.8
55.69818	0.3
56.01142	0.3
57.03448	0.7
58.72406	0.3
59.01379	12.4
61.98832	0.5
65.63490	0.3
67.05520	1.0
68.04552	0.3
68.99825	1.4
69.03458	0.9
69.17017	1.7
71.01382	6.0
71.05016	0.5
73.02932	1.1
80.02649	0.4
81.03460	1.5
81.13219	0.3
81.51611	0.4
82.95412	1.0
83.01368	0.7
83.05020	0.4
85.02961	2.0
87.00879	1.1
88.98793	0.4
89.02441	4.6
93.03442	0.8
95.01379	0.4
95.05027	7.9
96.96044	0.8
98.22699	0.5
99.04497	0.4
99.92558	0.5
101.02441	3.7
107.05038	2.4
109.02940	0.5
111.00948	0.3
113.02444	2.4
116.92854	1.4
119.03502	1.5
119.05035	1.1
124.01633	0.6
125.02479	1.6
131.03502	0.4
139.04012	100.0
140.04327	1.3
143.03506	0.4
149.34235	0.3
159.10321	0.3
161.04539	1.2
161.13309	0.3
163.04027	1.1
164.04329	0.5
165.05602	0.5
171.10265	2.0
172.10635	0.9
179.05605	0.7
187.11272	1.7
191.05600	1.0
197.11903	0.6
197.77525	0.3
201.04027	0.5
205.12233	0.5
209.11835	1.4
210.12173	1.0
255.10274	2.2
273.11365	1.7
321.75919	0.3
323.18790	0.5
364.25897	0.3
371.24377	0.4
401.23395	0.4
435.16599	4.2
469.24561	1.4
475.28912	0.6
505.27023	1.1
559.35040	0.4
575.30933	0.8
619.33374	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	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09153	2.3
55.01878	2.9
57.72743	2.8
59.01378	97.8
63.12730	2.1
65.59891	2.3
66.59837	2.0
69.75328	2.6
71.01376	33.5
73.02544	2.1
73.02917	11.7
81.85371	2.1
82.95419	3.7
83.01395	3.8
85.02947	11.8
87.00874	2.8
89.02441	27.8
89.34844	2.2
95.01439	2.4
95.05013	9.3
101.02448	25.8
113.02458	15.4
113.06089	18.6
115.04018	15.2
116.92864	2.8
119.03503	14.3
121.05046	10.0
129.05547	8.2
139.04008	100.0
140.04335	4.3
157.05055	9.5
159.03035	20.6
161.04520	6.5
161.13335	19.2
165.07703	10.0
179.05525	4.1
187.11272	20.0
191.05612	3.5
201.04056	55.5
205.12315	43.7
265.09189	6.8
283.10324	60.4
309.11819	2.9
327.12958	22.8
471.22583	11.6
515.21417	8.9
533.22491	3.8
557.26141	3.0
559.22974	3.4
575.23358	12.0
619.26093	10.1
619.35681	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	619.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90019	1.3
57.03444	1.7
59.01376	100.0
65.43014	1.1
65.63840	1.1
71.01379	32.3
73.02950	8.8
81.65382	1.6
82.95415	9.1
83.01381	3.1
85.02937	10.1
87.00845	2.4
88.98820	1.4
89.02438	25.6
93.03435	1.7
95.01398	2.1
95.05000	1.9
97.02949	1.6
99.00861	3.1
101.02438	22.3
103.00374	2.7
113.02438	16.9
113.06135	2.0
115.57777	1.3
119.03487	13.9
121.05074	16.5
134.67776	1.3
139.04010	7.6
143.03462	3.6
146.54535	1.3
149.04549	1.6
154.65306	1.4
159.02965	2.3
161.04561	10.2
161.09744	2.1
161.13353	21.6
179.05536	6.3
187.06406	1.4
187.11282	19.9
189.09180	2.5
191.05598	2.6
193.03720	1.2
201.03984	3.3
205.12326	45.6
207.10301	1.6
260.48114	1.2
265.09305	9.0
270.07663	3.2
283.10345	95.5
284.10770	1.7
285.10172	2.0
339.20282	1.4
344.11533	1.6
371.13480	1.6
379.39273	1.7
412.20612	1.5
471.22330	19.3
505.26270	3.8
506.16757	4.8
515.20776	16.4
533.21906	6.5
575.23383	28.8
613.27362	1.5
619.34869	2.1
641.27557	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
65.28721	1.3
69.61932	2.8
69.62263	2.5
71.01376	39.4
73.02941	11.6
75.00872	1.3
77.69682	1.2
79.63515	1.2
80.15659	1.2
82.95392	3.9
83.01364	3.6
85.02961	11.0
87.00874	1.4
89.01874	1.7
89.02438	34.7
95.01380	2.5
98.22610	1.7
99.92574	3.1
101.02439	21.2
101.34377	1.6
101.85058	1.4
112.64554	1.3
113.02450	29.5
116.92857	2.7
119.03478	16.9
120.76134	1.5
131.03502	3.8
143.03494	4.2
149.04565	2.9
161.04559	13.6
179.05605	11.1
191.05531	1.5
515.24896	19.8
533.26166	13.3
575.26801	2.3
619.16412	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	619.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95013	1.6
52.45901	1.5
55.01884	1.9
56.71511	1.8
57.03440	1.7
59.01379	100.0
64.52853	1.5
68.43417	1.3
69.35456	6.0
71.01019	3.1
71.01382	44.5
73.02943	12.7
77.41967	1.9
82.95415	3.2
83.01367	3.9
85.02954	14.3
87.00875	3.5
89.02443	29.2
95.01393	5.3
95.94854	1.6
98.22654	3.3
101.02449	24.5
104.77040	1.5
108.55392	1.5
113.02448	32.7
119.03495	12.8
125.02442	1.7
131.03432	2.1
143.03462	5.2
161.04504	9.5
176.84839	1.7
179.05577	6.5
183.40335	1.6
353.19528	2.5
371.20624	1.7
379.30029	1.6
515.24957	83.4
516.25269	6.7
533.26068	34.5
534.26093	3.0
575.27594	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	619.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02166	2.7
59.01377	100.0
69.22334	11.9
69.22741	6.3
71.01379	49.5
73.02945	19.5
82.95412	5.1
83.01379	4.6
84.66280	2.9
85.02942	20.9
87.00871	6.9
89.02453	37.5
95.01411	6.6
95.05008	4.9
98.21910	6.3
100.21694	4.0
101.02452	29.2
113.02459	40.8
113.06086	17.3
115.04015	16.3
119.03500	17.0
129.05571	5.1
139.04015	92.5
139.69281	3.3
143.03517	8.2
159.02998	17.5
161.04526	10.0
179.05611	9.5
191.05634	4.3
201.04024	50.0
234.95972	2.9
280.56943	3.4
326.56616	3.4
505.26657	7.1
515.24963	68.0
516.25330	4.8
533.26007	40.8
575.26825	15.4
575.75696	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	619.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.9
54.73338	0.8
55.01860	0.9
57.03460	1.0
58.88329	0.9
59.01379	100.0
61.98827	1.1
69.53495	3.3
70.45426	0.9
71.01384	33.9
71.13394	0.9
73.02945	7.7
82.95432	1.0
83.01398	3.0
85.02946	9.8
85.03413	1.2
87.00873	2.8
89.02445	33.0
95.01405	2.8
96.96001	4.5
97.42963	0.8
98.22656	1.5
98.95583	1.4
99.00871	1.5
99.92587	2.3
100.93346	2.5
101.02438	22.5
113.02453	29.2
113.03251	1.6
115.92073	2.2
116.92865	5.6
119.03503	14.0
121.02908	1.1
131.03534	2.4
143.03433	4.5
145.56181	0.9
149.02432	1.3
149.04521	2.1
150.03174	0.8
160.00063	0.9
161.03360	1.3
161.04582	12.3
166.56500	0.8
169.41451	0.8
179.05620	13.7
181.05099	2.5
184.76662	1.0
223.21671	0.9
228.22733	0.8
236.82440	0.9
253.07170	1.7
299.05365	2.8
299.23907	0.9
343.10147	1.1
430.61560	0.9
510.73532	1.2
515.25055	19.2
516.25311	1.3
533.25958	9.3
575.27051	3.5
619.16986	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46966	1.6
55.01860	1.9
55.94223	1.5
57.03437	5.0
59.01377	100.0
61.93728	1.6
61.98804	1.9
63.58014	1.4
66.82043	1.5
67.01894	2.0
68.99780	1.9
69.03436	3.9
69.74278	5.0
71.01015	2.6
71.01377	32.0
71.05028	3.3
71.35235	1.6
72.99291	1.9
73.02950	16.1
75.00829	2.2
82.48665	1.5
82.95419	4.1
83.01380	6.1
83.05021	2.7
85.02941	18.1
87.00871	15.2
87.04505	4.4
88.98779	2.4
89.02449	16.6
93.03409	1.9
93.07096	4.8
96.96013	3.3
97.06586	5.2
99.00893	4.2
99.04523	4.9
101.02438	20.3
101.06059	2.3
109.02943	2.4
111.00913	2.5
111.04553	2.0
113.02460	23.5
113.06139	1.7
119.03517	5.2
123.08147	2.7
125.02409	5.8
125.06091	2.2
125.09671	3.2
127.07594	1.7
129.01923	2.1
135.98322	1.8
137.09772	2.3
139.04002	15.8
139.07590	2.8
141.09204	7.5
143.03481	3.9
151.11302	1.9
159.02969	1.9
161.04517	5.0
165.09215	2.5
167.10710	1.8
169.12312	2.1
173.04550	1.9
177.12837	2.2
179.05595	3.7
181.08710	2.1
181.12332	3.9
191.05582	6.5
195.13969	3.3
197.11833	2.6
199.09639	2.4
200.10503	3.9
201.04005	7.0
201.11349	1.5
205.12219	3.3
207.13901	8.4
209.06100	2.8
223.13351	3.4
241.14357	3.1
335.22165	6.0
343.21191	7.2
353.23386	8.3
355.24686	1.7
371.11246	4.1
371.24326	6.2
385.18515	3.2
497.27530	21.4
505.26501	37.8
515.28595	86.9
516.29083	2.8
533.29657	22.2
557.29504	2.5
575.30640	6.3
619.34259	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	619.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88344	3.3
58.08159	3.3
59.01377	100.0
96.96004	20.2
97.19817	3.8
103.00389	4.5
103.01488	64.9
145.45206	3.7
197.33318	4.0
230.55827	3.7
255.91356	3.7
263.77615	3.7
284.53210	3.6
316.21045	3.9
401.69528	4.1
462.38745	3.8
464.32730	4.3
486.91550	5.1
573.30359	4.1
599.27594	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	620.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17710	1.9
69.18114	3.8
73.02904	0.9
84.80170	0.8
85.02932	4.4
87.00861	1.2
93.03440	1.7
98.22678	1.7
101.92362	1.0
127.03990	2.1
132.82445	1.0
161.02406	1.6
179.03398	1.2
189.10780	0.9
190.81702	1.1
191.05603	100.0
192.05847	1.4
225.70013	0.9
232.42216	0.8
236.46242	0.9
353.04828	1.3
353.08752	14.3
370.01852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.2
61.98819	1.4
69.03433	1.2
69.54936	3.3
71.01373	4.8
72.00909	1.1
73.02942	0.9
81.70877	0.7
82.95413	1.9
85.02934	1.9
89.02444	3.0
91.05547	3.2
93.03425	0.7
95.01382	6.4
101.02451	3.1
113.02431	10.9
119.03540	0.9
123.00878	8.8
138.03204	12.5
139.04015	1.2
143.03444	0.9
147.04510	17.5
153.01947	1.2
153.05573	12.6
161.04544	1.9
161.13260	0.7
164.07141	10.2
165.07730	1.0
166.01465	2.8
166.02705	1.1
181.03789	6.8
182.04529	1.1
190.05093	21.5
191.05635	1.5
193.03799	3.1
194.04572	1.2
194.26050	0.9
196.06143	8.0
205.12315	1.9
206.12730	1.7
208.06177	5.8
238.51588	0.9
242.08162	4.2
270.07693	41.3
271.08124	0.9
283.10223	2.6
284.10440	1.4
285.10049	37.2
286.10458	0.9
291.10571	1.0
298.10696	1.1
300.12396	27.8
327.12720	0.9
344.11356	42.8
345.11395	1.6
386.12445	0.9
506.16641	100.0
507.16849	4.6
576.23938	1.4
618.69556	0.8
620.19476	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98827	100.0
67.71140	0.8
71.01364	2.2
75.00877	2.1
80.13530	0.8
105.52331	1.0
114.86897	0.8
114.92249	0.9
137.72130	0.9
161.09680	1.4
179.10715	1.9
197.11839	9.2
207.10135	0.9
209.11797	6.3
241.10779	1.4
410.15817	0.9
525.27045	18.1
557.29456	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	621.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66895	0.4
57.03455	0.5
59.01377	14.0
59.58887	0.3
69.03430	0.4
69.19468	1.2
69.19869	0.6
71.01376	4.2
72.99321	0.4
73.02940	2.1
83.01385	0.7
83.05051	0.4
84.93880	1.1
84.95142	0.6
85.02966	1.8
87.00860	0.8
88.98816	0.4
89.02443	2.8
89.42982	0.3
94.94913	0.3
95.05008	0.8
96.96004	5.8
98.21831	0.6
98.95592	4.1
98.96274	0.6
99.00869	0.9
99.04528	0.4
99.92579	14.2
100.92684	0.6
100.93356	9.4
100.94037	0.5
101.02438	2.7
103.00356	0.8
106.04246	1.0
107.05032	4.6
108.02129	0.5
111.00895	0.5
113.02447	2.9
114.93380	0.5
114.94961	0.4
115.07610	0.3
115.92075	15.5
116.92856	100.0
117.92818	1.7
119.03516	0.5
121.02976	0.7
125.02422	0.8
135.04510	0.4
139.04008	7.9
139.05003	0.7
140.04324	1.3
140.92838	0.7
141.04562	0.5
141.93707	0.5
142.94417	3.5
149.06065	0.7
152.01138	0.6
156.92354	0.8
158.93884	1.2
160.08801	0.3
161.04564	0.8
161.09718	2.7
167.03479	1.3
170.93893	0.4
171.98866	0.4
173.04498	0.6
184.91856	2.2
184.95483	0.5
186.93394	0.5
191.05649	0.9
196.95502	0.4
197.11836	0.5
209.11732	0.5
226.96556	0.6
242.96028	0.9
244.97743	0.6
253.09254	0.7
255.10342	0.7
257.15479	2.2
273.11301	1.2
284.96945	0.4
286.98526	0.5
301.14420	3.6
307.19287	0.7
325.20163	1.1
339.03052	0.4
345.19141	0.5
357.04434	2.3
373.25925	0.7
399.05460	0.5
457.28021	0.4
463.19473	0.8
499.07034	2.6
501.30569	1.0
507.27530	1.9
517.07776	2.6
517.30261	1.1
535.09052	2.3
535.30963	0.5
541.08221	1.6
543.28619	0.6
547.09088	0.5
559.09082	1.3
561.29193	1.0
577.10138	2.8
577.32196	7.8
585.07141	2.7
621.09235	8.2
621.20062	0.7
621.35516	2.6
622.09760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03452	0.4
59.01379	25.5
59.96297	0.3
61.98816	0.5
62.65441	0.3
69.03450	1.0
71.01016	0.6
71.01385	8.9
72.99289	1.1
73.02950	3.0
75.00864	0.8
81.05898	0.4
83.01381	1.4
84.93880	1.1
85.02949	3.7
85.78429	0.3
87.00878	0.7
89.02447	5.4
93.03479	0.7
94.64727	0.4
95.01399	0.9
95.44344	0.4
96.96008	4.5
97.02954	0.7
97.92488	0.4
98.95586	2.6
98.96415	0.6
99.00869	1.0
99.04516	0.6
99.92584	29.1
100.92652	0.9
100.93357	10.8
101.02441	6.6
103.00372	0.5
107.01381	0.6
107.05010	2.0
113.02459	5.0
114.94875	0.5
115.92077	12.8
116.92860	100.0
117.92861	2.2
119.03514	1.1
121.02973	1.2
124.37427	0.4
124.93359	0.4
125.02470	1.5
126.94915	0.9
135.00879	0.5
137.02505	0.5
139.04008	2.1
140.92807	0.8
141.93633	1.4
142.94444	1.3
143.03537	0.5
156.92351	1.0
158.93889	0.8
159.03001	0.6
161.04544	2.5
166.02710	0.7
167.03485	8.4
167.95251	0.8
170.93909	0.6
173.92662	0.4
179.05695	0.4
181.06502	0.5
183.04485	0.4
184.91826	1.4
187.11380	0.9
190.98042	0.9
191.05588	0.6
221.06607	0.7
224.04758	0.6
225.05551	6.2
226.43520	0.3
226.96599	0.5
239.07147	4.3
240.07924	2.5
244.97556	0.6
246.96870	0.4
255.10252	38.2
256.10434	0.5
259.96228	0.6
297.06134	0.4
339.03174	1.9
340.03952	0.5
349.16397	0.5
353.01157	0.7
354.01990	2.2
355.02637	2.4
356.03607	2.7
357.04388	3.1
371.02283	2.4
372.03177	1.0
373.04205	0.5
389.57785	0.4
391.33200	0.4
399.05228	0.6
439.27225	0.5
457.28024	0.6
470.73895	0.4
475.29126	0.5
481.06046	0.7
499.07297	2.6
501.30756	0.4
506.27209	0.6
507.27966	2.8
517.07910	0.9
535.09149	5.0
541.08197	1.8
559.09058	4.1
576.30591	0.4
577.10138	6.9
577.32318	11.5
578.10339	0.5
579.20935	3.4
621.09332	7.5
621.21893	1.7
621.35321	2.3
622.09247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.35020	0.9
59.01377	37.1
69.29996	1.8
69.30385	2.6
71.01385	12.7
73.02949	17.7
83.01354	2.4
85.02944	3.4
87.00820	1.0
89.02445	7.3
93.10400	1.0
96.96014	1.1
101.02448	12.0
102.43399	1.0
104.05069	3.2
106.06617	2.3
108.04553	3.6
109.65083	0.9
113.02454	6.7
119.03504	3.0
122.06163	1.2
132.04556	34.7
134.06123	24.7
144.04654	1.1
152.07198	1.1
158.02419	1.6
158.06143	3.6
161.04593	1.9
176.03529	8.6
188.03516	2.9
190.05119	6.8
191.05533	1.3
230.71439	1.2
251.11917	4.2
255.11401	3.8
279.11334	18.4
295.10858	3.5
296.11279	3.7
314.12396	2.8
316.79178	0.9
323.10397	11.1
337.11981	1.6
392.36411	1.0
393.07413	1.1
459.17859	1.6
477.18948	5.3
501.18808	15.9
503.16583	1.6
517.18298	3.3
517.26434	5.4
535.27301	2.3
545.17737	100.0
546.18066	5.0
559.19244	9.9
561.29028	1.4
577.20386	32.9
577.29010	2.3
578.20593	2.4
596.51715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.35020	0.9
59.01377	37.1
69.29996	1.8
69.30385	2.6
71.01385	12.7
73.02949	17.7
83.01354	2.4
85.02944	3.4
87.00820	1.0
89.02445	7.3
93.10400	1.0
96.96014	1.1
101.02448	12.0
102.43399	1.0
104.05069	3.2
106.06617	2.3
108.04553	3.6
109.65083	0.9
113.02454	6.7
119.03504	3.0
122.06163	1.2
132.04556	34.7
134.06123	24.7
144.04654	1.1
152.07198	1.1
158.02419	1.6
158.06143	3.6
161.04593	1.9
176.03529	8.6
188.03516	2.9
190.05119	6.8
191.05533	1.3
230.71439	1.2
251.11917	4.2
255.11401	3.8
279.11334	18.4
295.10858	3.5
296.11279	3.7
314.12396	2.8
316.79178	0.9
323.10397	11.1
337.11981	1.6
392.36411	1.0
393.07413	1.1
459.17859	1.6
477.18948	5.3
501.18808	15.9
503.16583	1.6
517.18298	3.3
517.26434	5.4
535.27301	2.3
545.17737	100.0
546.18066	5.0
559.19244	9.9
561.29028	1.4
577.20386	32.9
577.29010	2.3
578.20593	2.4
596.51715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.0
60.01738	0.2
61.98826	0.1
71.01379	2.1
73.02932	0.7
80.02683	0.3
81.03443	0.1
82.95412	1.6
83.01358	0.7
85.02947	0.8
87.00891	0.2
89.02444	1.1
93.03430	0.2
95.01369	0.2
95.05032	0.2
96.96014	0.3
99.00900	0.2
101.02446	1.6
108.02169	19.0
113.02438	1.2
115.04079	0.1
116.92850	0.2
119.03529	0.4
120.05772	0.1
122.03750	0.2
123.04525	10.5
124.04919	0.2
125.02467	0.2
133.02930	0.1
135.04510	0.3
139.04027	0.5
143.03508	0.2
149.04501	0.1
152.01147	42.8
153.01613	0.4
159.11736	0.1
161.04565	0.5
161.13361	1.4
167.03488	100.0
168.03830	1.2
177.01973	0.1
179.03450	0.2
179.05573	0.2
185.13292	0.1
185.49278	0.1
187.11278	4.0
191.05562	0.2
205.12344	2.3
209.04497	0.3
213.09117	0.2
220.48717	0.1
223.13380	0.4
229.12285	0.3
231.10191	0.2
241.12305	0.2
247.13214	0.2
249.11322	0.6
255.10294	0.2
258.65683	0.1
273.11313	0.4
291.12338	0.4
297.11176	0.4
303.12314	0.1
311.07703	0.2
315.12253	0.8
329.08762	1.3
333.13416	0.5
349.16428	1.0
393.15491	0.8
397.13248	0.2
411.16614	0.2
415.14377	0.2
453.17636	2.0
501.30539	0.3
507.27692	0.4
517.20758	3.3
518.21161	0.2
561.19604	1.2
561.29016	0.8
577.24353	0.2
577.32471	2.7
579.20892	0.3
579.29877	0.3
621.21826	2.6
621.33014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
57.03439	0.3
59.01377	26.3
59.31311	0.2
71.01379	4.4
71.42040	0.2
73.02949	1.4
80.02673	0.3
81.03460	0.5
82.95415	2.9
83.01384	1.2
85.02947	1.5
87.00863	0.4
89.02447	2.3
95.01387	0.7
95.05006	0.2
96.95978	0.3
99.00885	0.4
101.02447	3.4
108.02172	20.7
111.00868	0.3
113.02440	2.7
116.92857	0.4
119.03483	0.9
122.03732	0.7
123.04527	12.1
125.02449	0.6
129.68700	0.2
135.04517	0.2
139.04044	1.2
140.82852	0.2
142.12163	0.2
143.03490	0.6
147.04437	0.2
152.01151	43.3
153.01659	0.7
159.02950	0.2
159.11829	0.3
161.04556	0.9
161.09746	0.3
161.13326	1.6
167.03491	100.0
168.03828	1.2
177.01884	0.3
179.05634	0.6
185.35736	0.2
187.11284	4.9
189.09251	0.2
191.05603	0.3
203.14302	0.2
205.12289	3.0
209.04500	0.3
223.13287	0.5
229.12247	0.7
249.11134	0.4
273.11261	0.3
285.09601	0.3
291.12354	0.4
297.11200	0.3
300.26288	0.2
304.85443	0.2
311.07516	0.3
315.12308	0.7
329.08728	1.5
333.13400	0.3
345.22910	0.3
349.16663	0.8
373.26218	0.2
385.61169	0.2
393.15378	0.8
397.13202	0.3
399.24017	0.2
417.24927	0.5
453.17725	2.2
501.30527	0.5
507.27869	1.5
517.13672	0.3
517.20819	3.0
517.29169	0.4
534.98663	0.2
535.31342	0.3
561.19611	1.4
561.28925	2.8
577.23071	0.3
577.32281	3.2
579.29974	1.9
621.21600	2.5
621.32227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68363	1.1
52.39424	1.1
53.15632	1.0
53.23603	1.0
54.31493	1.0
55.29602	1.0
55.89101	1.1
59.01383	6.0
60.37437	1.3
69.13889	6.2
71.01389	2.7
73.02956	1.8
85.02942	1.5
89.02441	1.5
90.57581	1.4
101.02441	1.2
102.96322	1.2
109.02943	3.3
112.73221	1.2
113.02426	1.4
116.92867	1.9
121.02947	1.7
123.00895	2.1
129.69133	1.3
134.03734	2.1
135.04520	1.2
136.01749	1.1
137.02415	7.8
149.02457	1.5
149.06125	1.8
151.00378	15.9
151.03976	1.6
152.01170	2.0
152.04761	3.2
153.05414	1.3
153.53708	1.1
164.04765	3.2
166.02710	52.3
167.03447	2.9
173.04546	1.2
175.04068	1.5
177.01962	2.9
179.07166	1.8
181.05064	66.2
182.05235	1.4
191.05565	1.9
192.04327	1.6
193.05045	3.3
205.05135	2.0
205.08643	2.0
207.06715	1.8
231.54083	1.3
359.11548	1.8
387.10794	13.7
388.11087	1.4
402.13220	7.9
417.15527	100.0
418.15985	5.0
448.84030	1.3
459.17215	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	621.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63411	7.1
56.31510	6.9
61.98830	10.6
66.04848	9.2
69.74309	17.3
72.86879	8.3
81.03878	7.8
98.22672	11.7
125.87282	7.4
126.35697	9.3
130.26599	7.9
133.50473	8.3
146.03702	21.8
161.06128	12.6
164.04788	24.5
177.05499	9.2
179.07161	45.4
217.00218	9.5
227.10788	11.2
237.09164	8.5
258.16159	10.1
360.13837	17.7
374.99799	9.8
375.15991	16.3
405.17065	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	621.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
56.56529	0.8
57.03465	0.9
58.00582	0.9
59.01379	100.0
69.24198	3.8
71.01385	33.9
72.99331	0.8
73.02940	7.4
83.01392	2.0
85.02956	7.5
87.00886	1.6
89.02447	34.7
90.63439	0.6
95.01417	4.2
96.96024	1.4
98.08793	0.8
99.00887	0.9
101.02446	16.8
113.02448	20.6
118.91711	0.9
119.03504	12.4
119.05024	1.5
131.03532	2.3
132.04578	1.5
135.62761	0.9
143.03503	3.5
149.04564	2.0
158.64452	0.7
161.04576	6.5
163.04053	2.4
179.05626	7.7
191.05727	1.0
251.11432	0.8
279.11160	0.9
315.95935	0.7
517.26514	40.9
518.27252	2.2
535.27612	23.6
535.35394	1.3
545.18091	2.6
561.19122	1.0
577.20398	1.3
577.28479	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	621.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.31691	3.8
69.30900	9.4
69.31295	5.2
71.01392	36.9
71.54767	2.7
72.31400	3.0
73.02953	24.4
75.29700	2.8
83.01358	4.0
85.02949	10.2
87.00871	3.0
89.02433	25.5
92.16257	3.3
101.02424	25.6
113.02448	25.4
118.98075	3.7
119.03510	9.1
131.60149	3.0
147.62140	2.9
149.04645	3.8
161.04497	3.4
179.05571	8.4
226.58946	3.9
257.57501	3.5
286.57843	3.1
337.28302	3.7
399.00281	9.8
517.26489	41.8
535.27380	25.6
577.28339	6.7
621.22119	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	621.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03447	2.3
59.01378	100.0
61.98828	2.6
64.71870	1.3
65.39385	1.3
69.07294	8.6
69.07702	2.2
71.01381	43.2
73.02950	13.4
80.64366	1.4
81.15031	1.4
82.95419	6.7
83.01399	5.4
84.95116	3.6
85.02952	23.0
87.00873	2.9
89.02443	28.9
95.01384	3.7
97.03017	1.6
99.00916	2.5
100.03749	1.4
101.02438	27.6
113.02448	33.9
119.03514	8.5
125.02380	2.6
135.59727	1.4
139.04068	1.7
143.03528	3.0
146.55861	1.6
159.03023	2.2
161.04494	8.8
179.05602	5.2
191.05643	4.6
203.57227	1.4
345.19189	2.4
373.22263	2.5
417.25198	1.9
484.59250	1.9
517.26361	63.4
518.26733	2.2
535.27490	28.2
561.29346	15.2
577.28467	8.9
579.29944	8.0
621.34546	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28918	1.1
57.03443	1.6
57.57859	1.1
59.01377	100.0
70.17871	2.4
71.01377	19.8
73.02946	7.0
83.01385	4.0
85.02949	12.4
85.06576	1.2
87.00868	1.9
89.02457	4.6
95.01402	2.9
97.02956	1.8
99.00887	2.3
101.02429	14.0
102.10697	1.1
113.02456	10.4
119.03503	2.1
122.03773	1.0
123.04518	2.6
125.02469	2.2
143.03473	3.4
159.02924	1.2
161.04567	4.0
167.03511	1.3
181.12399	2.2
191.05566	1.1
201.11290	2.9
201.14983	8.0
205.12370	1.1
244.30685	1.2
248.16975	1.0
259.99866	0.9
310.50861	1.0
331.17551	3.3
345.19141	52.3
346.19446	2.1
356.87985	1.1
363.20230	37.6
377.21893	2.0
387.20245	13.5
405.21262	28.6
499.28159	1.1
508.99152	1.1
517.30011	3.0
577.31897	1.4
621.22369	1.5
621.34955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74271	1.1
54.04972	1.0
59.01377	100.0
59.19987	1.0
61.98833	1.8
63.08947	1.1
69.08089	7.9
71.88547	1.0
89.39147	1.1
98.21876	2.2
103.01491	93.3
105.72723	1.1
158.22612	1.0
168.66637	1.1
169.22813	1.3
180.06456	1.1
450.55164	1.2
523.49249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72359	1.9
59.01376	100.0
69.15409	8.7
69.15817	2.5
78.95876	1.9
89.08282	1.8
103.01492	80.7
113.05002	1.8
143.52284	1.7
204.54483	1.7
313.99246	2.0
380.39267	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	622.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80021	1.5
58.02973	12.4
59.01384	3.5
64.09528	1.6
70.02987	5.2
70.19425	3.4
71.01374	2.6
72.00901	4.0
82.15358	1.3
85.02954	2.6
89.02437	2.0
91.05524	8.9
93.24750	1.6
95.01391	1.8
98.22550	1.9
99.00847	1.8
113.02437	3.3
117.10268	1.4
119.89542	1.5
120.01196	2.5
121.02952	7.5
125.19984	1.8
128.03564	3.2
147.04518	18.5
148.22704	1.4
164.07156	60.4
193.05089	2.0
197.28468	1.7
206.08206	100.0
207.08392	1.7
249.06145	5.6
309.11221	1.9
371.09824	15.3
387.84836	1.9
414.53424	1.9
430.35974	1.8
459.79764	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	622.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.2
69.43050	4.2
69.43441	4.7
71.01394	2.9
72.95341	2.0
83.91999	1.9
92.24382	2.0
96.74342	2.2
101.02453	2.2
107.10435	2.2
113.02406	3.0
120.99618	4.7
136.05338	5.5
137.02448	7.3
151.00351	8.7
152.04726	3.0
166.01401	4.1
166.02693	34.7
181.05064	47.2
181.10237	2.3
193.04459	2.2
204.04353	2.1
205.08737	2.7
214.86792	2.1
219.06610	4.3
228.65501	2.0
257.11844	58.7
282.76242	2.1
371.11420	3.3
383.11209	2.1
385.81577	2.3
387.10776	9.1
401.16266	3.4
402.13202	7.7
417.15555	100.0
418.15866	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	622.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47658	0.4
54.64285	0.4
57.03442	0.7
59.01373	5.7
61.98817	1.0
69.03455	1.0
71.01382	3.5
73.02936	3.2
83.05009	3.1
85.02924	1.1
97.02947	1.2
99.04543	0.6
101.02444	1.0
101.06049	0.6
106.96604	0.3
111.04492	3.2
113.02468	0.8
115.03996	1.8
118.64886	0.3
123.08153	2.1
125.09754	0.4
125.77221	0.4
127.03918	0.5
131.03769	2.3
137.20595	0.3
141.09212	4.6
144.04556	7.0
145.05078	1.5
146.06111	100.0
147.06447	1.8
165.09180	1.9
177.12903	0.3
188.07195	0.5
190.05096	9.5
191.05551	0.4
192.65930	0.4
207.13853	3.6
209.11871	0.5
219.81194	0.4
225.14940	2.5
233.11749	0.4
249.14980	0.6
251.12907	2.0
269.13913	13.3
283.15515	2.3
287.15002	9.3
293.13962	12.4
294.14001	0.4
311.14957	1.4
323.13809	0.4
329.16306	0.4
352.10352	2.6
357.35477	0.4
431.19168	4.3
578.25995	3.1
579.26404	0.5
604.24005	1.5
622.24988	60.5
623.25299	4.2
654.75415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	2.7
61.98798	3.6
66.78637	2.2
67.08538	1.9
70.94541	3.5
72.00871	2.3
73.75901	2.4
75.86318	1.9
100.04098	2.3
127.05044	2.8
128.03510	11.8
143.04655	2.2
150.01709	7.5
152.03300	2.3
167.04390	3.7
168.01491	4.8
175.04880	2.8
181.05959	13.9
193.05869	2.7
211.88942	2.1
219.03766	4.0
219.96625	2.0
221.05461	17.1
225.03098	5.0
232.07034	2.6
236.06383	3.5
238.06479	13.1
250.08052	6.5
276.05875	8.5
294.07120	23.1
315.19394	3.2
317.21121	3.0
326.04279	2.9
349.18060	10.2
367.45547	2.5
394.49988	2.3
604.26660	5.2
622.27710	100.0
623.27887	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	622.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54525	0.8
58.02967	1.3
59.01378	8.6
64.65611	0.8
66.29734	0.7
71.01347	1.4
71.42170	1.1
85.02919	0.9
89.02472	1.4
90.67783	0.8
96.96009	1.4
101.02466	1.3
113.02447	1.1
121.02967	1.4
128.10811	3.9
130.08734	89.4
131.09065	2.2
135.04536	1.4
137.01523	1.1
141.25731	0.9
153.05577	1.6
163.55629	1.0
172.09789	100.0
173.10094	1.4
174.99211	2.1
179.03403	1.0
191.05582	2.0
197.04536	4.7
198.04909	1.2
215.09218	1.2
216.08868	2.6
217.00273	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	622.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97958	0.8
58.48040	1.0
59.01379	100.0
60.01712	1.2
60.53239	1.0
61.98848	1.2
63.22767	0.9
67.77063	0.8
69.08945	3.8
69.09357	1.8
78.95920	1.2
96.52505	0.8
102.95654	1.6
103.01497	99.3
120.39903	1.0
136.67848	0.9
158.67908	1.1
222.72601	1.0
251.21138	0.8
279.23315	2.3
294.80099	1.0
296.75345	1.1
357.18683	1.0
604.25812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65399	16.5
116.92883	36.6
134.84283	15.2
164.69330	15.0
167.57037	19.1
209.11856	100.0
250.07819	17.1
255.23686	20.1
295.22775	90.3
394.50034	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	623.1615
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
56.78122	0.6
59.01378	10.1
60.99296	3.0
61.98811	2.8
65.00336	0.8
71.01377	3.7
73.02941	1.6
82.95421	0.8
83.01395	1.2
85.02950	1.6
87.00875	1.5
88.98264	1.4
88.98808	20.6
89.02439	6.1
93.03443	0.8
96.76472	0.7
97.02946	1.4
98.21893	1.3
101.02431	2.2
107.01386	0.9
109.06604	3.7
113.02447	2.2
115.04003	5.5
116.92829	2.2
119.03528	1.2
124.96462	0.7
125.02439	0.8
133.03041	0.7
136.00719	0.7
137.02438	0.9
143.03613	0.8
147.04518	0.9
151.00346	4.9
159.02997	10.7
161.02429	1.2
161.04602	1.0
163.11234	2.2
165.52017	0.7
183.04478	1.5
189.09384	0.8
191.05589	2.9
199.04010	4.7
207.10271	10.0
211.04082	1.0
212.46890	0.7
215.03465	2.0
217.07170	0.7
223.57678	0.7
225.11290	7.7
226.02655	1.2
227.03526	6.0
228.04251	1.2
242.02094	3.4
243.02974	25.1
244.03584	2.4
254.02254	1.3
255.02994	18.3
256.03510	1.3
257.04593	3.7
259.06122	0.9
270.01614	3.9
271.02475	49.5
272.03058	5.3
273.42673	0.8
285.04138	5.5
286.04861	1.7
287.05658	2.9
299.01974	41.5
300.02747	42.5
301.03168	1.1
313.03455	1.0
314.04324	41.3
315.05090	100.0
316.05371	3.8
357.06195	1.1
397.13467	3.2
415.14664	3.7
499.70010	0.8
536.13593	1.0
589.65839	0.9
623.16193	98.3
623.25281	7.8
624.16675	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	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83838	0.2
59.01381	0.6
61.98830	0.7
63.02412	0.5
65.00339	0.9
69.13747	0.6
69.14156	0.9
71.01357	0.3
83.01402	0.6
101.04001	0.3
107.01382	1.8
125.02454	0.5
135.00917	0.4
141.72507	0.2
145.02971	1.0
147.00975	0.5
148.01643	0.4
148.04413	0.2
151.00371	6.5
153.01883	0.5
155.05020	0.5
159.04459	0.3
161.02458	0.3
163.00424	0.6
164.01154	0.3
167.05046	0.4
169.01486	0.3
171.04541	0.9
178.99881	0.7
183.04515	1.5
185.02423	0.5
187.04030	0.7
189.01865	0.6
190.99841	0.2
191.05624	0.3
199.03981	5.8
200.04643	0.2
201.01932	0.9
203.03552	0.8
204.04268	0.4
206.04280	0.2
211.04012	0.7
213.01871	0.4
215.03482	2.7
223.06250	0.3
226.02696	0.7
227.03500	5.8
228.04001	0.4
229.01447	0.6
242.02187	3.6
243.02960	29.0
244.03592	1.4
253.01483	0.2
254.02148	0.4
255.02968	13.8
256.03516	0.9
257.04553	3.8
258.04971	0.3
259.06085	0.5
270.01642	3.9
271.02472	40.4
272.03079	2.7
285.04053	7.9
285.07343	0.4
286.04807	2.5
287.05676	1.4
299.01956	59.0
300.02698	20.5
300.06308	0.4
301.03195	0.9
313.03522	0.4
314.04312	50.2
315.05066	39.4
316.05435	1.7
357.06094	1.1
400.77127	0.3
427.09964	0.3
591.54358	0.3
603.43073	0.3
623.16132	100.0
624.06366	0.4
624.16565	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	623.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73944	0.2
55.01858	0.6
55.09112	0.2
57.03431	0.5
58.00575	0.2
59.01377	25.0
60.01715	0.2
61.98827	0.9
69.03447	0.4
69.08728	1.2
71.01379	13.7
72.99307	0.3
73.02943	7.5
75.00876	0.4
81.03420	0.4
83.01389	3.1
85.02944	4.3
86.45789	0.2
87.00869	1.5
88.98833	0.2
89.02441	3.8
93.03452	0.8
95.01376	0.9
97.02957	1.7
99.00902	1.1
101.02438	12.1
103.01488	0.9
106.04240	17.9
107.05045	0.2
108.02163	0.3
109.02962	0.4
111.00868	0.4
113.02448	7.6
115.04025	0.3
119.03513	0.9
120.02155	0.6
121.02959	0.6
125.02454	2.0
131.03510	1.3
136.05290	2.2
137.02415	0.2
137.06140	0.3
138.03215	1.2
139.03999	0.6
142.62276	0.2
143.03503	5.0
149.02483	0.3
149.04570	0.4
149.05916	0.2
151.03995	1.2
151.07642	4.5
152.01137	0.4
155.03506	0.4
159.02975	0.5
161.04558	4.4
167.03535	0.6
168.47531	0.2
169.01422	0.3
179.05655	0.3
191.05635	0.5
193.05054	0.3
195.06549	0.3
203.05611	1.1
210.06874	1.3
221.06615	1.2
227.07176	0.3
245.06705	0.5
257.11829	100.0
258.12115	3.6
263.07672	1.5
288.13602	0.3
305.08710	0.6
323.09793	0.7
365.10886	0.3
419.17120	1.9
503.32288	0.5
519.31433	0.5
563.21234	2.2
578.32813	0.3
579.32922	1.3
581.22351	13.7
582.22760	1.0
623.23309	4.1
623.33813	0.3
624.23682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24529	0.2
55.01858	0.9
57.03436	0.7
58.00579	0.3
58.76519	0.2
59.01379	26.2
60.01697	0.4
61.01796	0.2
61.98817	1.0
69.03449	0.6
71.01382	14.2
71.43929	0.3
72.99300	0.4
73.02951	3.8
83.01383	2.3
85.02457	0.4
85.02953	5.8
87.00872	1.2
88.98812	0.2
89.02441	7.4
93.03453	0.7
95.01389	1.0
96.96007	0.4
97.02983	1.2
99.00888	0.9
101.02441	13.7
103.93450	0.3
106.04245	16.8
106.79840	0.3
107.04585	0.5
108.02217	0.3
111.00843	0.4
113.02449	9.8
116.92853	0.7
118.27000	0.2
118.98070	0.3
119.03510	2.5
120.02169	0.5
121.02948	0.6
125.02451	1.8
131.03500	0.9
136.05261	1.8
137.02477	0.4
137.06036	0.3
138.03246	1.3
139.04010	0.8
143.03523	2.1
149.02434	0.3
149.04485	0.2
151.04041	1.2
151.07646	4.0
159.02985	1.3
161.04565	5.0
167.03424	1.2
168.03914	0.6
179.05626	0.9
203.05574	0.3
210.06894	1.1
221.06645	1.6
253.85251	0.2
255.10313	0.8
256.10800	0.3
257.11829	100.0
258.12128	3.6
272.82764	0.3
305.08640	0.4
318.74789	0.3
323.09964	0.6
347.18649	1.5
403.98904	0.3
419.17099	1.5
437.89819	0.3
503.32089	0.6
521.33423	0.3
534.26929	0.3
563.21222	0.7
578.32648	0.8
579.33057	2.6
581.22382	13.3
582.22571	0.7
623.23285	5.5
623.35382	0.5
624.24487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08908	13.2
59.01368	100.0
59.12618	13.3
69.25080	23.5
69.25487	53.6
71.01375	54.5
73.02970	18.5
74.43592	15.6
85.02935	17.3
87.00879	16.1
89.02444	29.3
96.95981	17.7
101.02431	41.0
107.48055	15.5
113.02428	33.8
160.06168	16.7
161.04501	15.5
191.05624	24.3
225.11478	17.1
318.46637	13.9
504.74933	14.0
580.23840	51.9
580.31659	17.3
623.15729	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	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62694	0.9
52.87984	1.1
55.01880	1.5
57.03439	2.1
57.05748	1.0
58.05754	1.0
59.01377	100.0
61.98824	2.6
69.03457	1.1
70.48398	1.4
71.01380	24.1
72.30937	0.9
73.02938	7.5
75.00848	0.9
83.01399	4.5
85.02947	11.9
87.00867	1.7
87.04480	1.2
88.98794	5.3
89.02444	8.9
95.01392	2.0
97.02954	1.8
99.00875	2.3
101.02437	15.9
107.05024	2.1
111.00895	1.2
113.02440	13.2
119.03469	3.3
123.62959	1.2
125.02408	2.3
130.22627	0.9
134.03751	1.2
135.04500	1.7
139.03973	1.6
143.03471	3.7
149.06073	1.0
151.04012	1.5
159.02988	1.4
161.04578	4.9
173.04532	2.0
181.12375	2.0
191.05591	2.0
199.03854	0.9
201.14961	6.6
203.12885	2.9
205.12312	1.0
313.17947	1.5
331.17554	2.0
345.19150	42.8
363.15634	1.7
363.20221	28.8
364.20743	1.3
375.27484	1.1
377.21515	2.7
387.20114	11.7
405.21265	24.6
433.67340	1.0
436.40054	1.2
496.27795	1.0
519.31683	11.1
520.31995	1.0
537.32971	3.0
557.63098	1.2
579.33722	3.4
623.36890	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	623.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.6
57.03447	3.5
59.01376	75.5
61.98837	14.4
69.03465	3.5
71.00492	1.4
71.01377	35.2
73.02950	16.2
74.87854	1.6
79.71258	1.6
80.73463	1.6
83.01391	6.2
85.02942	16.2
87.00871	4.3
87.04530	2.2
88.98822	3.7
89.02433	12.1
93.03494	2.3
93.07056	1.8
95.01363	3.8
96.96033	2.7
97.06590	1.7
99.00884	2.7
101.02449	17.4
102.02747	1.8
107.05029	2.5
109.02954	1.7
111.00883	4.0
111.04498	1.9
113.02442	17.8
115.07666	1.9
116.92863	7.0
119.03473	3.2
119.05042	3.4
125.02449	5.2
125.35905	1.8
129.01933	1.9
135.04550	3.8
137.02365	2.7
139.04004	7.2
143.03543	2.2
159.03061	2.8
161.04549	5.0
163.85251	1.6
167.03511	4.8
173.04524	2.3
179.05663	3.0
191.05640	5.5
217.14476	1.9
224.04660	2.3
229.18004	2.5
289.78412	1.8
315.25430	3.5
324.89993	2.0
327.21622	2.3
347.24368	3.1
375.27386	2.6
401.12158	2.5
479.32581	1.9
509.29904	24.1
519.31702	100.0
520.32037	3.7
537.32727	13.3
563.30450	6.0
579.33765	7.8
623.28033	1.6
623.36145	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	624.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47528	1.1
59.01378	1.1
61.98828	40.2
69.49939	4.1
71.01389	1.2
81.67706	0.9
91.04683	0.9
140.89313	1.0
146.06140	1.3
146.08240	2.1
182.03717	1.7
191.05649	1.0
195.04561	1.7
196.05295	4.9
197.06084	3.7
211.03995	3.6
212.04738	10.4
223.03973	1.3
224.04811	7.3
239.03629	4.9
239.07130	5.2
240.04268	25.5
241.05057	1.3
252.04295	3.6
255.06660	2.9
257.08136	2.4
267.03088	4.5
268.03778	17.1
277.12350	2.2
283.06100	100.0
284.06482	2.6
300.08435	1.3
301.07123	8.7
347.18732	2.1
348.18976	2.3
360.09158	2.7
410.31381	1.0
431.12988	1.5
432.00140	1.1
437.96906	1.1
510.24481	2.7
561.19043	16.5
624.26178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.9
61.98833	7.3
71.01377	16.7
73.02940	4.4
83.01372	2.1
85.02943	4.4
85.16303	1.3
89.02451	9.5
98.21888	2.9
99.00864	1.8
101.02433	13.7
106.04251	16.9
113.02445	7.3
119.03462	1.9
122.77245	1.2
125.66168	1.2
131.03514	1.6
136.05272	1.9
139.43347	1.1
143.03481	4.9
149.55681	1.1
151.07706	2.6
161.04559	7.8
179.05627	2.1
191.05516	2.8
210.07033	1.6
221.06537	1.7
228.29637	1.6
229.46544	1.4
247.08226	1.1
257.11823	100.0
258.12189	3.2
285.89334	1.2
323.09985	2.8
419.17264	3.4
581.22357	43.7
582.22955	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	624.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23866	0.8
59.01371	2.6
61.98827	1.7
63.28973	0.8
69.04932	5.6
71.01387	2.5
73.02959	1.2
85.02972	1.0
98.21891	2.0
101.02439	1.9
113.02429	1.1
118.81812	0.8
136.05284	5.9
151.07654	3.1
161.04553	9.2
177.02010	1.1
181.10254	3.9
192.56537	0.8
225.09155	1.3
241.08684	2.8
257.11826	100.0
258.12024	4.4
419.17032	25.8
420.17426	1.3
614.18750	0.9
624.29034	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	624.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58521	0.2
54.11797	0.2
54.12066	0.2
59.01377	100.0
60.01702	0.5
69.06357	1.2
71.01381	2.7
73.02966	0.6
75.90210	0.2
79.01927	0.2
85.02948	1.2
89.02459	1.0
95.01436	0.3
99.00864	0.5
101.02433	1.6
113.02493	0.8
119.03551	0.5
123.00955	0.3
125.02512	0.4
149.02473	0.3
150.03242	0.4
151.04005	0.5
159.03014	0.5
161.04550	1.1
165.05540	0.3
179.05563	0.4
191.05667	0.3
209.11800	0.6
314.29465	0.3
327.93643	0.2
388.17755	0.7
389.87686	0.2
489.56216	0.2
550.23267	1.1
564.24457	12.7
565.24982	0.7
624.26019	0.4
636.71088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98837	0.8
64.13361	0.5
64.44401	0.5
70.76865	0.8
71.01382	3.4
73.02957	1.4
83.01377	1.1
85.02929	2.9
87.00896	1.0
88.98815	1.3
89.02451	1.5
93.03469	0.6
96.96027	0.9
101.02426	4.2
107.01394	0.6
113.02464	1.2
116.92903	0.7
119.03564	0.6
120.71231	0.5
121.02982	1.4
137.02521	0.5
143.03502	0.4
151.00374	3.0
161.04625	1.2
162.43459	0.5
163.04022	0.6
173.04590	0.6
176.62477	0.5
178.99850	1.2
191.05594	13.2
243.03030	0.6
255.03105	1.4
259.09848	0.9
271.02533	4.7
299.01968	1.0
300.02707	7.0
300.05823	0.5
301.03519	9.2
301.10770	0.9
323.51169	0.5
337.09204	3.3
463.08868	10.7
463.15112	1.0
550.23700	0.7
564.24396	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58820	0.1
57.30505	0.2
59.01379	2.5
59.23056	0.2
61.98827	100.0
62.98513	0.2
67.01869	0.1
67.90204	0.2
71.01373	1.0
73.02950	0.4
73.08427	0.2
85.02941	0.4
87.00878	0.2
88.98825	0.3
89.02451	0.6
92.05113	0.2
93.03493	0.3
93.41779	0.2
96.96007	0.2
101.02464	0.8
102.87828	0.1
107.05038	0.5
109.02946	0.2
113.02464	0.6
119.03510	0.2
136.04065	0.2
137.02486	0.2
139.04065	0.3
142.12329	0.2
151.04187	0.2
173.04588	0.5
181.12421	0.2
191.05545	1.2
226.06328	0.3
241.08772	0.2
335.73276	0.1
397.21146	0.2
421.91327	0.2
472.66769	0.2
475.97192	0.2
510.30118	0.5
520.31720	0.9
526.29993	0.2
539.31464	0.2
580.34100	0.2
624.29126	0.2
624.37469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19244	0.3
59.01384	2.1
61.98830	100.0
71.01377	1.1
71.43695	0.4
75.19626	0.4
85.02942	0.8
86.14081	0.3
93.03503	0.7
93.93765	0.4
98.18151	0.4
101.02473	0.5
110.06918	0.4
116.92907	0.8
126.84535	0.3
130.43788	0.4
139.04047	0.6
144.61215	0.4
162.52434	0.3
163.04088	0.4
173.04610	0.8
185.36662	0.4
191.05611	2.2
207.83284	0.4
298.10953	0.6
324.18268	0.4
364.12772	0.4
401.15457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.4
59.30820	0.2
61.98813	0.4
65.02245	0.2
69.13256	1.4
71.01380	1.3
73.02940	0.5
74.77287	0.2
75.07980	0.2
85.02934	0.8
88.98823	1.2
89.02450	0.8
98.22614	0.6
99.00839	0.3
101.02438	0.8
113.02411	0.8
115.62374	0.3
126.26863	0.2
150.06856	10.8
151.07333	0.3
161.04546	2.8
241.12325	100.0
242.12692	3.0
259.38895	0.3
311.69009	0.2
403.17587	18.6
404.18063	0.6
419.49612	0.2
420.87463	0.3
491.20670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95285	0.3
55.01870	0.7
57.03425	0.5
59.01377	23.6
60.49009	0.3
61.98836	0.6
66.30083	0.3
69.03431	0.7
69.50188	1.1
71.01378	15.3
72.99325	0.5
73.02948	2.6
74.92992	0.4
80.02676	1.8
81.03452	1.8
83.01381	2.2
83.05023	5.7
84.02157	1.2
85.02945	3.2
87.00858	2.6
89.02442	14.9
91.03999	0.3
93.03453	1.2
95.01386	1.0
95.05020	1.1
97.02965	2.0
97.06567	0.4
98.22700	0.6
99.00851	0.7
101.01786	0.7
101.02432	10.5
104.20805	0.3
105.74885	0.3
107.04995	0.4
109.02984	0.3
111.00839	0.4
111.04482	0.5
113.02450	5.8
115.04033	0.4
116.92815	0.7
119.03505	4.3
121.02876	0.4
125.02447	3.9
125.06068	0.7
125.09731	0.3
129.65871	0.3
131.03528	0.9
133.05019	0.4
135.04527	0.5
135.08156	0.7
137.02428	0.3
139.04028	0.5
141.01949	0.4
143.03479	3.0
147.11794	0.3
149.04546	0.4
161.04550	3.7
163.11292	4.7
165.12830	2.6
167.03528	0.4
173.04477	0.8
179.05606	3.6
181.12328	0.8
191.05594	1.3
191.10791	1.0
196.41791	0.3
199.13306	0.5
209.11818	100.0
210.12119	2.6
221.06660	1.3
227.12877	22.3
228.13158	0.8
235.08195	5.1
253.09254	1.3
263.07712	0.5
271.02353	0.6
287.07654	1.3
300.02664	0.8
301.03384	0.8
305.08728	1.6
310.38309	0.4
323.09671	0.6
329.47018	0.4
342.53232	0.3
379.12350	0.5
397.13480	36.2
398.13626	1.8
415.14542	21.9
416.14963	1.1
466.79507	0.4
473.47055	0.4
625.14050	0.8
625.27454	0.7
626.23706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
56.44593	0.4
59.01381	23.5
61.98825	1.5
64.30697	0.4
69.03452	1.0
71.01017	0.9
71.01382	13.6
71.42749	0.5
73.02937	3.2
74.09586	0.4
74.27257	0.4
75.00850	0.6
80.02682	1.4
80.64642	0.4
81.03467	2.8
83.01381	2.0
83.05026	5.7
84.02155	1.0
84.43785	0.4
85.02950	3.0
87.00886	3.0
89.02444	15.1
93.03452	1.3
95.01382	0.8
95.05038	0.6
97.02937	2.2
99.00889	0.8
101.02441	10.4
102.04779	0.5
109.02930	0.5
113.02454	5.5
119.03503	4.9
121.02989	0.4
125.02448	3.4
125.06085	0.8
131.03525	0.7
135.04523	0.5
135.08167	1.1
137.02444	0.5
138.09605	0.4
139.04018	0.5
141.01985	0.6
143.03485	2.3
149.04530	0.6
151.03970	0.5
152.01183	0.6
161.04552	3.0
163.11266	5.1
165.05655	0.6
165.12851	3.5
167.03468	0.7
179.05608	3.4
191.05588	1.0
191.10735	1.2
199.13373	0.9
203.08385	0.6
209.11819	100.0
210.12247	3.2
221.06665	0.9
227.12895	18.1
235.08185	4.0
245.06779	0.6
245.09274	0.7
253.09201	1.1
263.07709	1.0
277.09421	0.4
287.07727	1.2
299.01904	0.6
305.08667	1.0
323.09875	0.6
397.13480	29.0
398.13904	0.8
415.14560	18.3
416.14743	0.9
625.26862	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	626.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56019	3.3
54.27695	2.1
59.01379	61.1
60.01711	3.4
61.98827	16.9
69.93700	4.3
69.94033	5.5
71.01376	7.1
73.02957	2.7
85.02927	4.2
87.00835	4.4
89.02435	3.2
93.03455	3.0
134.03735	3.5
135.04486	5.6
149.33533	2.4
161.02374	6.0
164.04707	3.0
173.04514	8.4
176.04697	3.6
179.03441	8.4
191.05647	22.8
193.58472	2.8
194.05789	9.0
195.06265	3.7
209.08160	23.1
210.08542	12.0
211.06125	2.6
410.15918	5.2
435.76276	2.9
503.79800	3.3
626.20007	100.0
627.20361	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	626.201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	19.0
61.98834	43.1
69.31454	6.7
71.01379	8.6
101.02454	8.7
113.02379	6.3
123.04546	9.5
152.44597	6.1
162.83894	9.9
164.28990	7.0
209.01099	7.4
241.12332	20.7
242.12596	18.9
410.16129	11.2
437.00815	7.0
547.58868	8.0
590.22205	13.9
626.19843	100.0
627.20123	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	626.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26631	0.9
61.98825	3.8
65.34840	0.8
66.54878	0.6
69.35280	2.0
69.35687	2.3
71.02486	2.2
71.49810	0.7
72.00899	3.4
73.04060	4.8
80.49311	1.0
83.02463	0.8
85.02931	0.8
91.05531	5.3
93.03410	1.2
98.22617	1.8
106.04177	1.0
107.05007	2.8
111.01878	0.9
115.08759	5.1
118.03515	0.8
118.06625	1.2
119.05010	3.6
125.07227	1.2
127.08784	1.4
128.03531	1.9
129.10338	11.1
130.08736	2.1
134.06143	1.2
137.07220	1.7
139.08797	1.1
141.10359	1.4
143.11906	0.9
147.04514	14.6
151.08751	8.0
153.06645	2.2
154.09824	2.8
154.37787	0.9
155.08261	5.6
162.05583	2.6
164.07155	27.8
168.11433	4.6
169.09810	2.0
170.09322	2.3
172.10892	19.2
172.12268	1.4
179.08304	4.2
181.09828	5.6
186.12456	20.6
187.12801	0.8
191.05627	1.5
193.77470	0.7
202.07504	1.2
229.13033	1.9
233.12973	1.4
233.16592	7.4
259.14407	1.6
261.12357	3.3
267.18155	3.9
277.15536	3.0
278.15070	33.9
282.48569	0.9
290.18771	6.0
302.18646	1.1
322.30524	0.8
324.20441	0.9
333.19052	1.3
335.17239	2.3
346.17758	1.9
364.18912	0.9
389.25668	2.0
446.27716	1.4
552.31769	1.5
596.30884	34.4
597.31079	2.7
608.30981	8.1
626.31885	100.0
627.32135	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	627.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04847	1.5
56.26189	1.3
59.01376	7.2
61.98823	3.9
64.41946	1.4
69.41811	4.7
69.42192	3.2
71.01384	14.2
74.54597	1.4
84.29106	1.4
87.00863	1.6
88.98796	2.1
111.08325	1.4
115.00351	7.0
117.33384	1.5
121.02948	30.2
135.00786	1.8
138.03209	3.8
153.01932	1.8
153.05574	26.6
156.58757	1.5
158.67616	1.7
165.01897	3.9
167.03513	1.5
180.04265	2.2
182.02222	3.7
195.06700	2.7
197.04539	100.0
198.04926	1.6
207.55461	1.6
219.74124	1.6
243.06628	3.6
246.62727	1.5
313.05429	4.0
337.09012	1.8
442.89682	1.5
520.05530	1.7
567.26740	2.0
627.19122	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	627.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83686	0.9
52.95515	0.9
53.06889	0.8
56.24454	1.0
56.64797	0.9
57.03441	12.9
59.01365	4.5
61.98830	5.8
66.52512	0.9
69.54144	2.2
69.54541	2.1
71.01376	1.8
76.75581	0.9
79.98927	0.9
81.03460	1.4
83.01382	2.4
87.39611	0.8
89.02436	1.8
90.52674	0.9
93.03422	1.0
95.05034	1.2
97.02936	2.7
98.21867	1.3
108.02145	1.1
109.02945	2.1
113.02385	1.3
122.03751	1.0
123.04514	1.4
125.02441	100.0
128.03497	1.3
133.02914	1.1
137.02431	11.6
146.06108	10.4
149.02368	1.1
151.04037	2.3
161.02441	17.6
164.01068	1.1
165.01907	2.8
175.04083	2.0
176.01137	1.3
177.01854	2.1
178.85367	0.9
187.03981	1.4
190.05084	2.4
191.05670	1.7
229.05028	2.2
241.95108	1.1
255.02927	1.7
273.03842	1.6
287.05719	5.5
287.08377	1.1
289.07312	1.4
299.05576	4.4
303.08759	7.2
352.10358	7.0
353.09970	1.4
355.08109	2.4
401.88419	1.0
439.10330	13.1
465.11566	5.8
591.05933	1.9
591.15076	26.7
592.15692	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	627.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.8
61.98833	32.6
71.01381	2.9
71.42161	1.2
72.37352	1.2
75.00863	2.6
79.30326	1.2
85.02961	2.3
89.02472	1.3
93.03460	2.0
96.95995	2.0
101.02442	1.3
113.19376	1.2
119.03463	1.2
123.04530	2.0
126.90395	6.9
137.02448	2.7
138.03220	3.0
151.04016	6.6
152.04794	21.1
161.02409	2.1
165.05505	1.7
166.02722	1.7
173.04457	2.1
178.84990	1.2
191.05605	3.4
205.08612	1.7
223.06010	1.7
241.08788	1.8
242.09518	1.3
243.10233	100.0
244.10703	3.5
273.02185	2.1
283.69653	1.3
288.04684	2.3
303.06921	3.2
303.12347	2.4
405.15540	58.7
406.15845	3.3
627.23273	1.5
627.32098	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	627.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.5
60.92146	2.4
71.01374	3.7
81.03462	8.0
89.02456	3.6
98.21973	2.5
114.26449	2.5
120.23226	2.4
129.44867	2.8
137.06081	95.3
149.02431	7.4
150.03209	16.7
158.78978	2.5
162.62242	2.6
165.05553	26.1
179.03523	5.6
191.05566	3.7
192.89268	2.7
194.05872	4.1
195.06604	31.2
209.08180	16.1
213.95599	3.2
241.19930	2.9
243.10233	100.0
243.12714	5.9
244.10483	4.7
303.12308	10.7
357.13263	13.7
405.15536	66.2
407.10815	3.0
419.56812	3.1
424.88297	2.9
465.18158	3.0
465.46695	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	627.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63128	0.9
59.01377	45.2
61.98832	1.4
69.10417	2.3
69.10826	5.5
71.01363	3.8
73.02945	1.8
75.00855	1.9
85.02944	2.3
88.98834	1.1
89.02438	2.3
93.03457	2.5
96.96006	1.5
101.02422	3.8
111.04457	1.0
113.02435	1.3
121.02938	2.5
122.03739	8.5
123.04544	8.0
135.04556	1.7
136.01630	2.3
149.02429	7.5
150.03221	57.8
151.04012	19.8
152.04773	1.2
161.02470	6.5
161.04578	1.9
164.04808	2.6
165.05566	76.6
173.04520	1.1
176.04741	3.5
179.03500	11.7
180.04230	5.1
191.05569	5.6
191.07101	2.2
194.05843	11.7
195.06615	100.0
196.06898	1.9
209.08179	48.0
227.07117	6.0
242.09502	5.1
243.10162	3.0
252.07343	1.1
288.10071	1.2
301.10690	3.4
302.11575	9.8
303.12344	20.4
328.40604	1.1
353.06708	1.3
357.13437	1.6
405.15536	20.3
465.17648	13.7
583.29590	2.0
627.23730	6.7
627.32190	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	627.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.25419	2.7
60.99318	5.0
61.98832	3.0
71.01387	4.7
74.70683	2.4
81.03454	2.7
87.00863	2.8
88.98792	28.9
89.02454	13.3
106.04221	4.1
109.53964	2.7
111.90195	2.5
113.02488	3.3
137.02432	3.0
137.06073	30.5
146.03716	10.4
150.31104	2.5
151.03983	3.1
161.06071	5.4
164.04785	7.8
165.01918	27.5
179.03506	12.7
179.07138	22.7
180.04236	25.1
194.05763	4.5
195.06607	38.4
210.05371	7.4
225.07634	51.9
225.09653	4.2
243.10249	86.8
268.21017	3.0
327.08612	17.1
342.11096	20.9
354.19467	3.1
357.13348	62.4
405.15546	67.7
427.30258	2.8
427.69611	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	627.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01379	18.3
61.98817	3.4
67.05498	1.2
69.03455	0.9
71.01372	6.6
71.20737	0.7
71.41861	1.1
73.02937	1.9
81.03443	1.7
82.95406	0.8
83.01357	0.9
85.02938	3.2
87.00869	1.2
89.02447	2.1
93.03423	1.9
95.05021	8.1
96.96012	0.9
101.02441	3.4
104.34534	0.8
108.02163	1.9
109.02945	2.6
113.02442	2.9
113.06115	1.1
123.04580	0.9
123.08112	1.4
125.09704	3.4
133.02859	0.9
135.04530	7.1
139.04008	100.0
140.04341	1.3
146.03690	1.2
152.01184	1.5
161.04533	2.1
161.09712	1.0
161.13332	1.8
164.95451	0.8
167.03487	1.6
173.04482	2.5
177.12952	0.9
179.03534	1.4
187.09845	1.5
187.11263	2.3
191.05583	3.8
199.09875	1.2
205.12329	2.2
209.11806	5.1
221.11760	2.5
229.01454	1.2
249.11371	1.2
250.06139	0.9
253.09445	1.3
267.06628	1.5
291.10770	1.3
338.04453	1.4
365.13937	1.4
373.19885	1.6
409.12903	1.1
411.16608	1.0
435.10901	1.4
583.24805	0.9
591.20490	1.5
609.28998	3.5
627.18207	2.0
627.29944	7.4
627.37891	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	627.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
59.01376	9.3
61.49321	0.6
61.98833	4.0
69.03456	0.7
71.01389	3.1
73.02943	0.9
80.02689	0.6
81.03448	1.4
83.01393	0.5
85.02946	1.7
87.00873	1.2
88.23530	0.7
89.02426	1.1
93.03449	1.9
95.05021	7.6
96.96033	0.9
101.02447	1.7
108.02151	0.8
109.02940	1.0
113.02455	1.6
119.03493	0.7
125.09724	0.8
135.04512	0.7
138.41939	0.6
139.04012	100.0
140.04326	1.5
146.03673	0.8
146.15109	0.5
151.07657	1.4
155.07098	0.7
161.04578	0.7
171.10231	0.9
173.04565	1.8
187.11192	1.3
191.05598	4.2
205.12277	1.3
209.11838	2.4
220.29396	0.6
227.02000	0.8
247.13553	0.7
267.06592	0.8
319.76035	0.7
338.04440	0.8
395.34891	0.6
411.16418	0.9
465.32291	1.6
471.18677	1.4
583.27582	1.0
627.29651	2.5
627.38794	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	627.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
59.01375	100.0
69.60598	1.9
69.82130	6.0
71.01378	38.4
75.39912	1.8
85.02954	8.3
87.00835	2.8
89.02441	61.3
95.01376	2.4
98.21928	4.3
101.02438	21.9
113.02458	16.3
119.03501	23.2
131.03447	3.5
143.03473	6.6
149.04500	2.3
161.04573	11.9
165.01868	2.3
179.05606	43.5
179.07156	3.1
201.27040	2.0
276.63107	2.0
385.27255	2.2
405.21280	5.6
567.26611	27.4
627.19934	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	627.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	89.5
61.98824	18.6
70.20987	1.8
71.01379	49.7
75.71244	2.0
83.01367	2.5
85.02950	9.6
87.00880	2.8
89.02447	86.4
93.03453	2.1
95.01382	3.8
101.02435	27.5
103.75426	2.1
113.02435	25.6
119.03506	33.4
120.38979	2.1
131.03516	5.2
143.03493	6.0
148.03134	2.3
149.04582	3.5
158.96431	2.3
161.04555	15.7
179.05615	92.5
191.05562	2.9
233.06612	2.7
253.33496	2.5
261.62823	2.1
275.07944	2.1
287.20139	4.4
293.08679	16.7
305.21106	5.2
310.15106	2.2
333.20654	4.2
351.21732	100.0
401.42630	2.6
407.68179	2.2
627.29620	2.7
628.10913	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	628.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33424	2.6
58.02967	2.7
59.01372	10.5
61.98833	23.5
68.02778	2.8
70.24818	3.3
71.01395	5.6
89.02435	5.5
96.31794	3.0
97.02956	3.9
98.22659	6.3
101.02448	3.6
111.04468	2.6
112.53287	3.1
113.02474	4.8
123.04537	6.0
128.07199	2.7
135.04604	4.5
151.04005	9.3
152.04671	5.0
161.02431	2.9
174.00647	3.0
191.05614	3.6
202.91885	2.7
289.10623	3.1
303.12271	14.1
304.12744	18.7
359.33936	3.0
386.23355	11.4
412.17212	4.8
413.91611	2.9
430.22296	10.1
592.23785	5.4
628.21710	100.0
628.37164	4.9
629.21930	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	628.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93163	9.9
57.07529	9.8
59.01382	24.1
61.98834	95.9
69.55044	13.2
69.55402	50.4
71.01373	16.3
86.92001	11.2
93.03451	15.1
98.22617	23.9
104.31489	12.3
113.02498	13.2
113.43398	11.2
165.05556	17.1
177.26346	12.5
229.06580	13.0
269.11844	13.8
306.07834	11.5
337.31177	13.1
628.22070	100.0
628.40820	16.3
629.22284	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93163	9.9
57.07529	9.8
59.01382	24.1
61.98834	95.9
69.55044	13.2
69.55402	50.4
71.01373	16.3
86.92001	11.2
93.03451	15.1
98.22617	23.9
104.31489	12.3
113.02498	13.2
113.43398	11.2
165.05556	17.1
177.26346	12.5
229.06580	13.0
269.11844	13.8
306.07834	11.5
337.31177	13.1
628.22070	100.0
628.40820	16.3
629.22284	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16591	0.3
58.17532	0.2
59.01370	0.8
59.73478	0.3
61.98829	100.0
69.11169	1.5
70.50943	0.3
71.01381	0.4
89.02419	0.4
100.86034	0.3
108.02197	0.4
113.02448	1.6
151.07198	0.3
173.04668	0.4
241.12328	1.3
242.12692	1.7
243.06746	1.0
243.10471	0.6
243.13068	1.1
244.07028	1.1
244.10689	0.7
244.13033	0.3
270.62756	0.4
271.80582	0.3
406.12253	0.7
467.33960	0.3
480.18774	0.5
578.22400	7.7
592.24725	0.4
625.05048	0.3
628.22418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.1
61.98823	5.5
71.01373	2.5
74.20529	1.7
77.20721	2.1
82.95433	3.6
83.24609	1.5
96.00910	2.3
98.01201	2.7
98.02499	1.6
99.02029	5.1
109.04080	6.4
109.79025	1.5
110.02487	7.4
110.06120	1.8
111.01994	8.0
111.21254	1.4
112.04054	28.7
119.52525	1.5
123.58505	1.5
124.04056	3.0
129.10356	4.6
131.66859	1.5
137.02481	3.4
137.07220	3.6
138.05620	6.9
144.04576	4.8
148.02831	2.5
149.02229	1.7
153.10289	2.4
155.03781	27.7
155.08267	100.0
156.08568	1.8
157.05333	3.8
163.05197	3.5
164.03548	4.0
165.05464	1.6
165.10385	3.9
168.04543	6.9
169.09843	1.7
169.11710	2.0
170.07242	2.3
171.05620	11.0
179.11964	1.7
180.11446	2.5
181.06461	2.4
181.09814	2.7
181.13519	5.9
183.05617	2.9
194.26439	1.7
199.05161	2.4
206.09306	4.9
207.07921	2.2
207.10112	6.2
207.15025	1.5
208.05099	2.6
209.09337	2.2
209.11803	2.4
211.05115	6.2
212.06010	2.1
224.04648	2.1
224.10457	2.1
225.06673	3.4
226.06267	4.1
244.07729	2.2
246.09248	99.5
247.09593	4.4
250.15572	4.3
263.11841	4.2
272.11160	2.1
273.10297	3.3
275.04547	1.6
290.08176	22.8
291.08292	1.8
300.10330	7.0
376.20270	2.0
420.19366	10.0
427.17371	3.5
432.18271	2.0
446.17191	14.5
456.19037	9.2
471.20444	9.2
472.18707	8.0
500.18314	69.5
501.18771	7.5
514.20911	4.9
515.19366	32.7
516.20288	2.7
517.21021	11.4
522.25092	1.9
523.23450	7.1
524.22961	2.1
539.23456	3.8
540.26373	9.8
540.33295	2.0
541.24884	11.4
566.24323	21.0
567.23419	4.6
578.21216	5.5
584.25104	14.2
585.24701	2.7
610.22998	36.1
611.21692	16.1
628.23779	19.0
628.31866	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	629.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01370	0.9
60.99297	0.4
67.01875	1.6
69.03449	0.7
69.65704	0.6
71.01372	0.9
73.02949	0.3
74.09649	0.2
81.03432	0.5
83.01369	0.6
83.05014	0.7
85.02944	5.4
87.00868	3.0
87.04500	0.3
88.98830	0.3
93.03452	11.4
94.03767	0.3
97.02935	1.5
99.04512	0.3
109.02928	0.9
111.04502	1.6
113.02411	0.4
121.02953	1.6
122.03715	0.8
123.04506	0.5
125.02444	22.4
126.02776	1.6
127.03052	0.4
127.03993	1.7
129.01901	0.3
133.02954	1.9
134.03728	0.3
135.03484	0.4
135.04514	7.4
137.02440	3.4
143.03510	0.3
149.02443	0.3
151.04083	0.4
155.03485	0.3
161.02441	11.7
162.02808	0.3
163.00247	0.3
163.04007	0.3
164.01134	1.2
165.01843	0.4
171.03000	0.3
173.02351	0.3
173.04529	3.5
175.03928	0.3
177.01874	0.5
179.03481	7.6
180.03786	0.3
187.03932	0.4
191.05595	100.0
192.05936	1.4
192.99605	0.5
201.05505	0.4
204.04224	0.4
204.65923	0.2
205.01588	0.3
217.08588	0.3
227.39716	0.3
244.07405	0.3
255.03006	0.3
273.04071	0.3
287.05597	3.1
289.06967	0.8
292.98544	0.3
299.05606	1.3
303.08691	3.3
304.09125	0.4
310.99597	0.7
323.07675	2.5
325.01450	0.3
341.08713	0.8
353.08701	12.9
437.13641	0.7
439.10391	1.4
465.11591	1.2
515.14014	38.7
516.14362	2.4
561.52051	0.3
591.14850	3.0
593.15253	0.4
629.17316	4.5
630.17761	0.6
657.80145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00914	0.4
57.03430	1.1
59.01381	2.5
69.03438	0.8
69.12500	1.4
69.12906	1.4
71.01366	1.5
73.02944	0.7
74.83427	0.5
79.27565	0.4
80.05900	0.4
81.03466	0.6
85.02940	11.2
87.00896	2.2
87.04465	0.6
93.03431	4.4
101.02460	0.8
106.82067	0.4
109.02924	2.7
111.04527	1.9
112.08369	0.4
113.02428	1.7
117.03463	1.2
121.02882	1.0
125.02442	10.1
126.02762	0.7
127.03136	0.5
127.04004	2.8
127.04803	0.4
131.03484	1.6
132.02147	0.8
133.02022	0.7
133.02950	7.7
135.04520	12.7
137.02429	0.9
160.01648	2.0
161.02434	49.0
162.02760	0.8
163.03999	0.5
171.02943	0.8
172.05386	0.5
173.04514	1.9
179.03488	5.5
185.05960	0.5
187.07616	5.6
190.05069	0.5
191.05597	100.0
192.05913	1.3
203.07184	0.9
231.06602	6.6
249.07697	0.8
273.07330	0.5
287.05655	1.2
289.06857	0.5
290.08170	0.5
291.08719	1.8
299.05414	0.5
303.08618	1.6
323.07697	28.7
324.08087	1.0
333.09732	1.3
341.08694	2.1
353.08621	3.3
389.86652	0.5
393.11847	6.7
394.11865	0.7
437.05099	0.9
437.10873	14.2
439.10031	0.5
515.14026	47.3
516.14063	2.2
591.15137	1.1
629.17133	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	629.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01363	1.1
60.85566	0.2
60.99301	0.8
61.98826	0.3
67.01876	1.4
69.03457	0.5
69.74603	0.7
69.74952	0.4
71.01373	0.8
73.02888	0.3
77.18746	0.2
81.03431	0.7
83.05037	0.6
85.02943	5.6
87.00885	3.2
87.04512	1.1
93.03456	14.1
94.03783	0.3
99.00875	0.3
109.02950	0.6
111.04527	2.5
112.91982	0.3
113.02433	0.8
125.02414	0.6
127.03996	1.8
131.02596	0.3
131.03505	1.2
133.02928	1.3
134.03769	0.5
135.04524	17.4
137.02438	0.4
146.06096	1.1
147.06500	0.5
155.03535	0.5
161.02432	7.6
161.03711	0.6
171.02998	0.7
173.04523	3.7
179.03491	14.2
191.05600	100.0
192.05997	1.4
203.03378	0.3
232.06094	1.1
233.06467	0.9
238.23073	0.3
275.22687	0.3
289.07172	0.3
304.18909	0.3
323.07782	0.4
353.08713	6.9
378.63229	0.3
395.09668	1.7
400.62625	0.4
424.12408	0.3
425.12787	0.6
455.13962	0.7
497.12283	0.4
515.14020	41.2
516.14423	2.1
629.17163	24.7
630.17645	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	629.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
58.95248	0.4
59.01370	2.6
61.98817	1.6
67.01878	0.6
69.03460	0.6
69.54788	1.4
71.01367	1.7
73.02934	0.7
81.03411	0.7
85.02946	13.9
87.00879	3.2
87.01347	0.5
93.03455	5.1
98.21862	0.7
99.00904	0.5
101.02411	0.7
109.02936	3.7
111.04499	2.0
113.02434	2.4
117.03423	1.6
125.02420	1.4
127.03988	2.8
131.03473	0.6
132.02156	1.6
133.02946	8.9
133.03966	0.4
135.04520	17.9
136.04820	0.7
137.02396	0.9
147.22139	0.5
151.04059	0.4
155.03551	0.5
160.01651	2.6
161.02438	47.7
162.02849	1.3
164.01227	0.4
165.05531	0.6
171.02948	1.1
172.05295	1.3
173.04530	2.1
177.01923	0.4
179.03461	4.9
187.07642	7.1
191.05597	100.0
192.05908	1.6
203.07150	0.9
231.04442	0.8
231.06598	10.0
249.07697	0.9
275.07687	0.6
284.03189	1.1
290.07919	0.6
291.08640	3.0
323.07693	23.6
324.08148	0.5
329.78708	0.4
333.09784	1.6
341.08841	1.7
353.08621	3.4
386.09723	0.6
393.11899	8.3
394.12155	0.5
437.05090	0.8
437.10843	16.0
438.11288	0.7
515.14014	43.8
516.14459	2.2
593.15015	0.7
629.17188	18.0
629.27295	1.1
630.17682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.0
61.98828	100.0
71.01367	3.7
72.88287	2.1
75.68044	2.1
76.18443	2.1
88.54948	2.1
89.02462	2.2
96.96004	5.1
109.73109	2.3
123.04626	2.1
135.04500	3.3
138.64819	2.0
161.02399	3.6
162.03198	2.4
191.05568	2.3
223.06212	2.5
254.09473	23.4
269.08911	3.7
269.11801	65.5
270.12354	2.6
326.04758	2.1
431.17068	23.3
629.20117	51.9
630.20880	4.0
656.38556	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	629.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98818	1.7
70.27489	2.7
72.12676	0.9
75.33757	1.0
78.95947	1.0
92.02683	2.1
93.03455	27.4
95.01382	1.2
98.22487	1.5
108.02126	2.4
131.12994	1.0
136.01659	9.5
137.02444	76.5
138.02812	1.0
151.04005	100.0
163.03984	3.2
164.75519	1.0
277.56662	1.0
629.19849	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	629.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.6
62.03168	0.8
68.30814	0.9
69.92406	1.9
69.92767	1.6
78.95882	1.2
82.95430	1.0
89.51643	0.9
92.02648	2.0
93.03457	77.6
95.01402	1.0
98.68494	1.0
108.02156	3.8
121.02934	1.6
136.00714	1.7
136.01665	20.2
137.02446	99.1
138.02695	1.1
151.04001	37.9
152.04350	0.9
188.04774	2.0
298.75259	1.0
477.15585	1.7
537.19257	1.6
603.19165	0.9
629.20227	100.0
630.20361	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	629.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98823	0.8
64.98998	0.4
69.26001	1.4
73.02928	0.4
75.00869	0.9
82.95409	0.8
84.95123	2.7
85.00425	6.1
86.59589	0.3
93.03465	3.4
99.92581	9.1
116.92858	100.0
117.01930	1.3
117.92852	1.8
133.67264	0.3
137.02463	3.2
139.03978	0.5
186.93744	0.3
191.05533	0.7
211.13216	0.4
219.43784	0.3
499.07547	0.4
629.19916	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	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03431	0.8
59.01376	61.0
61.98826	1.6
69.03455	2.5
70.32299	0.6
71.01381	32.8
71.41223	0.7
71.41614	0.7
72.99299	1.7
73.02942	1.1
83.01353	1.0
85.02940	6.0
87.00877	2.1
88.22863	0.5
88.98773	0.7
89.02443	51.8
93.03448	4.9
95.01385	2.3
96.95989	1.1
97.02938	0.6
101.02437	16.4
107.03492	1.0
109.02934	0.7
111.04484	0.8
113.02447	23.7
119.03500	19.6
126.90457	0.6
129.00114	0.6
131.03511	3.3
135.04501	1.2
137.02412	3.3
139.04008	1.5
140.37314	0.5
143.03503	5.9
143.78865	0.6
145.02939	0.9
149.04509	2.4
155.03471	0.9
161.04549	10.4
161.65810	0.6
173.04504	2.5
179.05606	100.0
180.06009	1.2
191.05592	4.9
205.08662	0.9
217.03592	1.1
225.91261	0.6
281.08859	1.2
341.11063	3.7
449.14133	0.6
515.20898	0.8
629.24316	1.2
630.16260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15501	0.4
50.82589	0.4
54.40275	0.4
55.01865	1.5
55.93510	0.5
57.03438	0.8
59.01377	5.5
61.98809	1.6
64.78977	0.4
71.01385	3.3
73.02958	2.1
83.01398	0.8
83.48996	0.4
85.02960	2.9
85.18069	0.3
89.02433	1.5
90.58703	0.4
98.22640	0.7
101.02469	2.1
109.03000	0.5
112.01664	1.1
113.02450	19.2
119.03494	0.5
125.02440	1.8
138.03209	1.2
150.64369	0.4
173.04504	0.6
222.01901	0.4
232.13321	0.4
249.10995	0.4
260.16455	0.6
260.74008	0.4
274.18274	0.6
466.20566	0.9
480.22101	1.4
580.23975	100.0
581.24146	6.1
594.25555	5.6
623.45209	0.4
630.23151	7.0
631.23322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03431	1.2
59.01382	6.4
61.98824	2.3
69.28737	3.0
71.01382	2.7
73.02944	2.5
85.02940	3.5
89.02438	2.1
93.40044	0.6
95.01348	0.6
99.00808	0.7
101.02436	2.3
101.68056	0.6
109.02930	0.7
112.01672	1.0
113.02444	16.2
113.40617	0.6
119.03506	1.7
125.02422	1.6
140.39511	0.6
160.64694	0.6
161.02428	0.6
187.56657	0.6
191.05699	0.8
343.25467	0.7
356.66821	0.6
466.20724	1.0
480.22083	1.8
578.22308	1.1
580.23993	100.0
581.24365	5.6
594.25427	6.9
630.23206	11.8
631.23700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90572	0.6
59.01381	1.6
61.98835	1.4
68.65080	0.6
71.01382	0.9
81.73454	0.6
82.06622	1.2
82.92883	0.6
82.95404	1.1
87.00849	0.9
93.03467	1.5
95.02498	1.1
96.00896	4.5
96.04549	1.4
98.01240	2.2
98.22668	1.6
111.02009	2.0
111.05643	3.8
112.00417	2.8
113.03551	0.8
116.05083	0.9
118.06628	1.0
120.04573	1.2
121.02953	0.7
129.10330	0.7
131.03766	2.4
132.04582	3.8
133.05334	12.4
134.06119	8.3
137.07225	1.7
139.08804	0.9
146.06149	0.8
147.52808	0.6
153.06664	1.1
154.08743	1.4
155.08264	100.0
156.08560	1.3
158.06142	1.0
159.03256	1.4
160.04034	23.3
165.06668	2.2
165.10347	3.5
166.08784	1.6
167.08173	0.8
168.09010	0.9
170.06018	0.8
171.05623	1.1
171.10329	0.8
172.04086	1.2
173.04581	1.1
173.07127	0.9
181.09837	1.2
186.05582	2.0
187.05055	1.4
188.05949	4.1
189.06635	2.1
191.05591	1.9
209.05766	1.1
209.09358	2.7
209.15729	0.7
259.14581	1.0
264.10275	24.7
265.10703	0.9
279.11395	2.6
281.12970	2.8
283.10892	1.5
307.10800	1.1
311.14008	1.0
321.15652	1.0
333.12271	0.8
376.20123	2.1
420.19272	19.7
421.19394	0.8
446.20648	1.1
472.18851	2.7
474.20248	9.3
484.09009	1.1
489.21283	6.0
543.25708	1.9
586.26715	19.6
587.26947	1.1
602.25800	1.4
630.25641	71.7
631.25604	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	630.293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21215	2.9
59.01365	9.1
61.98831	18.3
62.92894	2.7
63.25798	3.5
71.01376	5.3
71.09238	2.7
82.01716	4.5
84.95113	6.3
85.00428	7.5
93.03463	10.7
94.06596	2.9
94.22697	2.9
95.02501	12.7
96.00921	7.6
96.03279	3.9
98.21875	11.0
109.04233	2.8
111.02000	13.7
112.00394	7.9
116.05070	6.1
116.92854	4.9
117.03442	2.9
118.06625	4.2
120.04543	6.8
123.08006	2.8
129.10396	3.3
131.03745	12.4
132.04523	13.2
133.05348	49.5
133.07704	4.7
134.06110	56.0
137.02440	5.0
138.03059	3.5
146.06117	4.2
151.08736	4.8
155.08273	59.0
160.04022	26.7
163.08836	4.9
165.10321	26.2
166.10762	3.1
169.12260	3.2
173.07159	5.2
178.05020	15.2
186.05499	4.4
187.05246	4.2
188.05846	14.1
189.06709	20.6
191.08182	9.1
197.11812	6.8
200.59518	3.5
201.11388	5.8
208.10905	12.2
209.11823	5.1
216.14079	3.1
218.10553	4.6
233.16490	3.7
242.11845	8.4
253.09224	3.8
260.17871	4.7
261.16150	8.0
264.10275	93.8
265.10519	6.5
278.18695	9.8
279.11392	8.2
281.12936	43.3
321.12506	3.9
326.15137	5.6
376.20367	6.4
386.54736	3.6
387.16605	10.0
394.21014	5.2
420.19052	8.8
462.51761	3.1
489.21530	5.2
489.28320	4.4
527.26569	3.4
543.29779	100.0
544.29932	9.3
569.27771	3.8
586.30341	29.1
587.29852	3.6
630.29352	75.1
631.29633	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	631.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
59.89668	0.7
61.98837	1.1
69.03451	5.1
71.01374	3.1
73.02970	0.6
86.31554	0.6
93.03452	2.5
98.00108	0.6
98.22656	1.3
101.02433	2.5
102.07040	0.5
113.02442	29.1
121.02945	37.1
122.03729	1.8
134.86247	0.6
135.04515	2.1
135.96941	0.6
137.02438	1.3
141.48265	0.7
158.27911	0.7
161.04549	4.8
175.04036	1.1
221.52687	0.7
270.92758	0.6
340.09476	54.3
341.09970	1.6
355.11832	100.0
356.12091	3.4
381.54483	0.6
480.73071	0.7
485.30652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01374	2.5
59.17558	0.9
61.98823	9.8
69.75014	2.9
69.75355	1.1
82.95371	1.3
85.02964	2.4
90.59783	1.0
101.02454	2.0
103.04002	16.2
108.02204	1.0
122.03735	7.4
125.02561	0.8
136.01653	3.1
137.02507	1.0
146.16455	1.0
159.08134	4.8
161.02394	1.1
165.05524	1.2
170.45207	0.9
177.09198	45.0
179.03481	2.3
191.05618	2.3
194.05818	1.6
195.06660	1.7
198.79353	0.9
209.08160	2.6
213.41486	1.1
221.08171	100.0
222.08525	2.7
307.11868	52.8
308.12244	1.4
383.13373	6.2
431.30084	1.1
447.14096	1.0
469.17117	59.8
470.17358	4.2
531.93488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98836	0.8
63.84478	0.4
69.07420	2.5
69.83934	0.4
71.35751	0.4
73.02936	1.6
75.00870	2.9
76.91682	0.4
99.00871	2.3
99.91907	0.5
99.92085	0.3
99.92584	12.6
116.92860	100.0
116.97251	12.8
117.01933	4.1
117.92894	1.9
277.21762	0.6
631.36810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
59.01385	3.5
66.18833	0.3
69.08739	2.6
73.02936	2.6
75.00868	9.1
79.61079	0.4
99.00879	4.2
99.92580	10.8
114.93462	0.4
115.04022	0.9
116.92860	100.0
116.97253	13.7
117.00699	0.5
117.01942	8.1
117.05576	1.2
117.92848	2.2
164.07407	0.4
190.92587	0.4
245.60287	0.4
246.17160	0.4
277.21609	0.6
315.19647	1.5
338.47043	0.4
358.01859	0.4
426.80978	0.6
626.65192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01729	0.4
63.86009	0.4
69.09081	2.4
88.50211	0.3
96.99294	5.1
98.21762	0.8
98.42848	0.3
101.66769	0.3
139.97545	0.8
140.98326	1.0
141.01695	68.4
142.01993	0.7
152.71832	0.4
173.03052	1.5
173.04338	0.4
195.84465	0.3
226.32210	0.3
228.42921	0.3
284.02582	0.4
379.26474	0.4
407.26370	0.9
423.26126	0.6
439.59229	0.4
541.54449	0.4
568.27283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26483	0.6
55.83807	0.6
58.63718	0.6
59.01376	100.0
59.66164	0.5
61.47383	0.5
63.88013	0.5
64.95395	0.5
69.11342	1.2
69.11733	3.0
92.27903	0.5
96.99319	3.8
102.17255	0.6
130.55222	0.6
139.78696	0.6
139.97549	0.6
141.01695	68.6
173.03062	1.0
407.26572	0.7
423.26346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32551	4.5
59.01383	13.6
71.01376	18.1
79.91479	4.7
89.02448	7.2
90.35288	4.7
101.02454	6.3
121.02991	5.2
131.16464	5.0
144.02924	6.4
151.90329	4.6
157.68701	5.1
165.01930	9.7
181.98608	4.8
195.06573	6.7
197.04547	17.2
220.17625	6.4
257.34695	5.4
260.48584	6.1
348.87106	5.5
351.85040	5.7
480.67590	6.2
486.09845	5.4
564.20740	16.8
582.21912	100.0
583.21704	8.9
611.37549	6.1
632.21033	56.3
633.21704	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	632.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91770	1.3
59.01376	21.3
71.01386	8.3
73.02945	18.1
74.76974	1.5
79.01926	1.6
83.01394	3.2
89.02475	1.4
91.69087	1.4
95.01382	2.4
101.02438	11.2
112.01672	4.0
113.02463	4.2
125.02430	2.0
127.04009	6.2
136.05299	3.1
139.00385	10.7
139.04031	5.9
140.01155	1.7
144.00636	1.8
157.92099	1.5
161.04579	1.7
167.03528	3.3
172.11276	1.5
176.10773	1.5
195.06616	5.5
202.12343	8.6
230.15483	4.3
238.12375	2.8
239.85991	1.8
252.13664	1.7
254.11632	3.2
256.13464	3.7
282.11404	6.4
293.14020	2.1
300.11826	1.7
308.16525	10.2
310.14462	3.7
325.16638	1.9
334.14459	5.4
366.17157	2.1
384.18182	13.2
410.16016	15.6
428.17111	100.0
429.17209	6.9
470.17615	1.8
506.36899	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	632.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
78.95901	0.8
115.97074	0.4
116.24088	0.4
116.92876	0.6
131.36421	0.4
132.36458	0.4
184.19865	0.4
195.23837	0.4
374.71622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	4.8
59.01374	0.8
61.98830	1.5
63.01470	0.2
66.03487	0.7
68.05042	0.3
70.02971	0.6
71.01386	0.5
71.65105	0.3
72.00904	0.6
73.81100	0.3
74.02470	11.4
78.36571	0.2
81.04571	0.7
82.02982	1.5
82.95444	0.3
84.04582	0.4
85.04062	0.4
86.02472	4.2
86.06117	0.7
86.99107	1.0
86.99632	0.3
87.05637	2.2
88.04016	0.4
90.00203	1.5
97.04064	1.3
99.05640	9.7
101.07187	1.4
102.05614	1.1
105.77193	0.3
107.06149	0.7
109.04099	1.6
109.07740	0.6
111.05647	0.8
112.04056	1.3
113.03577	0.5
116.01772	0.9
120.01271	0.5
123.05673	1.0
124.04099	0.8
125.03578	0.8
126.02042	0.3
127.05136	1.6
127.08762	0.4
128.03537	26.4
129.99696	0.8
131.04599	0.6
135.05629	2.7
137.07214	0.5
141.06699	2.7
143.04619	37.5
144.01138	0.4
144.04988	0.5
145.06201	1.6
146.04584	3.6
148.85715	0.3
149.07121	0.5
153.06711	2.6
155.08284	0.6
160.00726	9.4
161.02426	0.4
166.09889	1.5
167.04630	2.4
167.08209	1.3
168.05069	0.3
170.03409	0.5
171.04199	0.3
171.07777	0.5
177.03383	3.2
179.04607	7.5
181.06201	1.1
184.10916	0.3
185.05695	1.5
192.07803	0.7
197.05714	0.8
198.08781	0.4
210.08824	8.4
213.03488	0.4
228.09883	0.6
242.07864	0.6
254.07787	7.8
272.08859	12.1
272.11816	0.6
273.09128	0.4
288.06558	5.9
290.05463	0.3
306.07629	100.0
307.07855	2.5
350.92203	0.3
350.96719	0.3
370.62543	0.3
434.21707	0.6
493.28378	0.3
508.23972	0.3
527.52777	0.3
632.26648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30223	0.8
51.80893	0.9
56.09298	0.8
58.02973	4.0
59.01368	3.8
61.98824	4.6
69.67615	0.9
69.67965	2.8
71.01360	1.4
73.02929	1.3
74.02467	12.4
76.36444	1.0
80.91689	1.7
82.03035	0.9
86.02466	4.4
86.99081	1.7
87.05643	1.5
89.02464	2.0
90.00186	1.1
96.95998	1.1
97.04080	1.7
99.05635	9.2
101.07191	1.0
102.05575	1.3
109.04069	1.4
113.02441	1.0
117.46471	0.9
124.04012	1.4
127.05125	1.8
128.03534	24.4
135.05609	2.0
141.06668	3.2
143.04619	32.8
145.06160	1.6
146.04572	2.5
153.06685	2.5
157.30487	0.8
160.00739	7.8
166.09796	1.4
167.04581	3.0
167.08145	1.2
177.03351	2.9
179.04541	7.0
185.05675	1.3
189.74292	0.9
192.07834	1.0
210.08798	6.4
237.32448	0.8
254.07843	7.0
263.51559	0.9
272.08875	13.6
276.19601	2.0
288.06616	7.2
289.97623	0.9
306.07639	100.0
307.07883	3.3
310.78302	0.8
320.18747	6.1
372.21671	1.9
416.20718	1.9
434.21774	21.8
435.22104	1.6
603.87500	1.0
632.24738	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	632.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67036	3.4
54.92828	4.0
59.01361	5.5
61.98828	17.2
82.01706	4.0
83.02555	4.0
85.10113	3.7
91.15060	3.4
93.03470	5.3
96.00947	19.3
98.01208	3.7
111.02011	4.6
116.05101	5.4
120.04588	8.4
129.10316	7.3
131.03806	11.5
132.04546	17.7
132.41507	4.3
133.05357	41.6
134.06123	63.8
146.06122	6.5
155.08257	47.6
156.31346	4.0
160.04077	26.4
165.10249	6.8
166.08734	4.5
167.11919	19.3
173.07161	6.9
174.05490	4.8
178.05121	8.5
178.72571	4.1
187.05247	5.7
188.05896	12.1
189.06737	23.9
209.16568	10.7
210.12451	28.6
237.02686	4.3
242.11839	6.5
262.19125	6.1
264.10287	92.0
279.11438	7.1
281.12967	52.2
306.18188	5.2
328.16647	5.2
389.18121	10.6
473.29337	5.0
474.20255	5.4
491.30545	23.6
545.31207	57.3
583.44305	4.4
588.31885	56.7
589.31500	5.8
632.30951	100.0
633.31177	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	633.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12769	0.4
59.01379	0.4
61.98860	0.5
69.03453	9.2
69.23802	2.0
71.01392	0.9
85.02988	0.9
87.04558	0.3
89.26958	0.4
91.50237	0.3
98.00160	0.9
106.03215	0.3
113.02451	43.3
114.02810	0.7
118.03108	0.4
121.02958	2.3
131.03503	2.2
145.02925	1.0
147.04460	0.5
161.04669	0.5
163.04091	0.7
175.03996	4.2
178.47780	0.4
190.06351	2.5
191.05655	0.4
203.07266	0.8
221.06209	0.4
222.05367	1.9
225.05403	0.4
235.07697	1.2
237.05423	0.4
239.07170	0.7
251.07259	1.4
253.08655	1.9
261.05692	1.0
262.06113	0.4
263.07101	3.2
263.99588	0.3
264.07901	0.8
265.08786	0.7
267.06693	1.8
268.07251	0.6
268.10953	0.8
269.08218	4.8
275.07404	0.6
276.08029	0.5
278.09561	0.6
279.06686	3.5
280.07254	0.4
281.08191	6.6
282.08881	1.1
283.09781	1.1
291.06519	1.8
292.07388	1.0
293.08115	3.0
294.09027	4.4
295.09616	0.6
296.07092	0.5
296.10559	1.7
297.07703	21.1
297.11206	1.5
298.08115	0.5
307.09662	1.1
308.10498	3.4
309.07684	32.2
309.11334	8.9
310.07986	1.4
310.11444	0.4
311.09296	0.5
312.10037	21.6
313.10422	1.1
323.09256	2.7
324.10010	29.0
325.10336	1.3
327.12369	100.0
328.12613	3.4
339.12341	90.7
340.12646	3.4
357.13458	2.7
530.03296	0.4
633.22058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29685	0.9
57.01607	1.0
59.01379	2.4
61.98827	2.8
62.07786	1.0
69.03453	4.2
69.22025	5.1
71.01376	5.3
73.02946	1.6
80.03030	1.0
85.02962	1.8
87.70317	1.0
89.02454	1.4
93.03446	1.3
99.00893	1.1
101.02434	1.0
113.02449	27.7
121.02969	2.5
122.03717	2.4
136.01663	41.7
137.02469	1.6
151.04002	75.5
160.03984	1.0
161.04561	4.0
163.03955	1.6
175.07576	1.6
177.05569	1.4
191.05579	2.7
322.68481	1.0
342.11072	7.8
357.13422	100.0
358.13794	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	633.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22849	0.2
59.01135	0.2
59.01379	1.9
61.98824	0.7
69.03451	3.7
69.39669	0.8
71.01384	2.8
73.02943	0.9
74.02467	0.5
83.01386	0.3
84.02185	0.4
85.02934	1.5
89.02452	1.2
93.03463	0.5
96.96003	0.2
97.02945	0.3
98.00086	0.2
99.00862	0.3
99.05629	0.3
101.02450	1.7
108.02173	0.7
109.02913	0.4
113.02451	17.0
114.02782	0.3
116.92853	0.4
119.03530	0.4
121.02956	3.0
122.03729	2.1
123.00904	0.4
123.04506	0.5
123.16257	0.2
128.03555	0.6
131.03535	0.3
134.03754	0.6
135.04533	0.3
136.01660	51.5
137.02400	1.3
143.04590	1.2
149.06067	0.3
151.04005	87.9
152.04337	1.7
159.03006	0.4
159.04501	0.5
160.05298	1.0
161.02475	0.5
161.04538	2.7
162.03227	1.0
163.04019	0.8
175.04045	0.4
175.07626	1.4
176.04745	0.3
177.05580	0.9
179.03462	0.5
179.05789	0.3
183.42209	0.2
189.05531	0.4
190.06322	0.4
193.04964	0.3
195.06621	0.3
203.07079	0.5
254.07797	0.3
272.08936	0.3
298.60077	0.2
306.07660	2.3
307.08008	1.2
311.12866	0.7
323.09222	0.2
327.12082	0.5
338.11133	0.4
339.11560	0.6
342.11057	4.3
357.13422	100.0
358.13791	4.7
519.18677	0.6
559.77362	0.2
584.35266	0.2
597.22327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82128	1.1
58.02946	1.6
59.01379	15.4
61.98829	3.1
69.03454	1.3
71.01376	9.6
73.02931	1.7
74.02467	1.7
78.91893	1.1
79.95737	3.3
83.01410	1.1
85.02953	3.2
89.02450	9.5
93.03463	1.8
94.98107	1.4
96.96012	100.0
97.02318	1.2
97.02938	5.4
99.05650	1.4
101.02454	4.2
108.27678	1.0
109.02972	1.5
109.77597	1.1
113.02425	2.5
114.93407	4.2
118.96626	2.2
119.03505	2.1
121.03000	1.2
123.04528	12.1
128.03531	2.6
132.98170	1.5
136.05298	2.1
137.37370	1.2
143.04593	6.3
160.00714	1.5
160.97659	1.6
170.99754	3.3
189.00885	1.2
198.99223	1.7
210.08900	1.4
210.99196	4.6
259.01205	6.1
268.13428	1.8
271.13574	1.7
272.08777	2.1
274.19418	1.2
278.19046	1.4
287.12872	10.8
305.46484	1.2
306.07645	17.3
312.12354	1.3
316.37515	1.1
322.18027	8.5
366.17105	6.4
370.07538	1.5
410.16000	11.1
428.17319	1.7
431.17017	3.0
487.13150	1.8
529.14087	2.9
547.14996	20.8
590.22430	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	633.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65111	1.0
57.03441	1.7
59.01377	96.2
69.18541	6.6
71.01382	25.6
73.02932	6.3
79.00287	1.1
81.03458	2.6
83.01382	2.5
83.05016	1.7
85.02955	10.4
87.00865	2.6
89.01926	2.2
89.02444	27.3
93.03443	2.5
95.01393	1.8
96.96011	10.1
99.00932	1.3
99.04475	1.5
101.02442	23.0
103.00373	2.0
103.04018	1.8
107.05028	1.9
111.04511	2.0
113.02435	14.5
113.06171	1.3
115.04031	1.4
116.92875	1.8
119.03504	11.9
124.05443	1.3
125.02385	1.8
131.03493	3.2
135.04517	2.1
135.06642	15.3
139.04019	7.1
143.03453	3.1
148.08907	1.2
150.06871	2.2
157.06410	1.3
161.04591	7.3
161.09676	1.3
161.13353	23.0
173.04443	2.6
178.64185	1.2
179.05589	4.9
179.06987	1.1
180.06551	1.8
187.09743	1.7
187.11292	24.9
189.09151	1.7
191.05643	8.0
201.03949	1.9
205.12318	61.3
206.12694	1.2
207.10121	1.4
249.11458	1.6
279.06570	1.5
279.10806	11.1
297.11887	100.0
298.12286	3.3
301.98059	1.2
337.07217	1.3
355.11755	2.8
367.11908	3.9
485.23926	24.0
519.24127	1.3
529.22955	21.4
530.23309	2.5
547.23663	5.8
589.25012	41.7
590.24951	2.3
597.30444	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	633.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03441	2.1
59.01378	100.0
60.13235	1.2
61.98822	2.1
66.64719	1.2
69.03443	1.4
69.21999	4.0
69.22407	3.0
71.01375	23.4
72.99274	1.3
73.02927	6.0
75.00883	1.7
76.03886	1.2
80.13209	1.1
82.95415	1.9
83.01383	3.3
85.02946	11.7
87.00872	3.9
87.04521	1.6
88.98785	1.9
89.02448	26.3
89.02996	1.4
93.03442	4.2
95.05035	2.3
96.96012	39.0
99.04503	1.8
101.02432	19.7
103.00368	2.4
107.05047	2.0
109.02910	1.7
111.04539	4.4
113.02458	13.4
113.06109	1.3
116.92876	3.3
119.03482	13.5
120.05832	1.5
131.03461	1.9
135.04529	5.8
135.06633	16.8
137.02452	1.5
137.09782	1.3
139.04016	16.8
143.03468	3.6
143.59248	1.3
149.04553	1.9
151.00357	1.2
155.03473	2.7
159.03012	1.4
159.08109	1.2
161.04565	7.4
161.13354	18.1
163.11316	1.8
169.08748	2.1
173.04547	3.3
179.03461	1.8
179.05600	5.7
187.11290	21.8
189.09091	2.7
191.05611	8.1
197.11938	1.3
201.04047	1.8
203.14299	1.8
205.12320	47.0
205.14250	2.3
219.13701	1.3
247.13304	1.6
266.21140	1.6
279.10797	10.6
297.11884	95.7
298.12070	2.9
365.13934	1.3
366.21094	1.3
385.22220	2.5
444.09085	1.3
485.23938	23.6
529.22845	25.3
547.23517	6.3
589.15533	2.3
589.24872	38.9
589.33966	1.9
590.25616	1.6
628.35468	1.2
633.22748	1.3
633.34589	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	633.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55140	0.1
56.93849	0.2
59.01378	2.1
61.10762	0.2
61.98820	0.2
69.03449	0.4
71.01380	1.6
73.02944	0.3
78.95898	1.4
79.95741	2.7
79.96201	0.3
82.18327	0.2
85.02941	0.5
87.00883	1.7
89.02444	0.6
93.03453	0.2
95.05050	0.2
96.96011	100.0
98.93925	0.2
98.95616	0.3
99.92566	0.4
101.02434	0.7
113.02448	0.9
113.06065	0.4
113.92596	0.4
114.93372	0.3
115.00375	2.8
115.04021	0.6
115.92105	0.3
116.92853	1.8
121.02929	0.3
123.04603	0.2
127.04012	0.5
134.03717	0.2
137.02420	0.4
139.04013	2.5
153.05600	0.4
159.02992	0.7
163.03984	0.2
168.58755	0.2
175.02478	4.8
175.03938	0.4
179.05670	0.2
181.05052	0.4
191.05634	0.5
193.05162	0.2
195.06679	0.3
201.04034	1.0
318.76508	0.2
323.36124	0.2
357.11777	1.0
453.18082	0.2
457.13559	3.3
586.83881	0.2
597.18158	0.2
633.21936	0.2
638.94086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55140	0.1
56.93849	0.2
59.01378	2.1
61.10762	0.2
61.98820	0.2
69.03449	0.4
71.01380	1.6
73.02944	0.3
78.95898	1.4
79.95741	2.7
79.96201	0.3
82.18327	0.2
85.02941	0.5
87.00883	1.7
89.02444	0.6
93.03453	0.2
95.05050	0.2
96.96011	100.0
98.93925	0.2
98.95616	0.3
99.92566	0.4
101.02434	0.7
113.02448	0.9
113.06065	0.4
113.92596	0.4
114.93372	0.3
115.00375	2.8
115.04021	0.6
115.92105	0.3
116.92853	1.8
121.02929	0.3
123.04603	0.2
127.04012	0.5
134.03717	0.2
137.02420	0.4
139.04013	2.5
153.05600	0.4
159.02992	0.7
163.03984	0.2
168.58755	0.2
175.02478	4.8
175.03938	0.4
179.05670	0.2
181.05052	0.4
191.05634	0.5
193.05162	0.2
195.06679	0.3
201.04034	1.0
318.76508	0.2
323.36124	0.2
357.11777	1.0
453.18082	0.2
457.13559	3.3
586.83881	0.2
597.18158	0.2
633.21936	0.2
638.94086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03437	0.3
58.00621	0.2
59.01377	100.0
60.01709	0.6
69.03466	0.4
70.95793	0.1
70.96121	0.2
71.01379	7.6
72.99292	0.2
73.02943	10.8
74.03311	0.2
81.03446	0.2
83.01384	3.4
85.02946	2.6
87.00900	0.4
88.98811	0.1
89.02441	2.9
89.02943	0.2
95.01398	0.6
96.96014	0.4
97.02972	0.5
99.00911	0.4
101.02441	11.5
102.02739	0.2
111.00877	0.2
113.02444	6.4
119.03500	1.5
125.02468	0.6
131.03523	1.1
132.99883	0.2
135.04553	1.3
139.04042	0.6
143.03511	1.6
149.04552	1.9
149.05617	0.2
155.03563	0.2
159.03009	0.4
161.04555	5.0
171.10318	0.4
179.03528	0.6
179.05746	0.4
181.12422	0.3
191.05670	0.5
201.14955	1.2
203.05640	0.4
219.06642	0.6
221.06613	1.0
239.06674	0.2
246.02574	0.1
331.17780	0.2
345.19180	6.2
346.19647	0.4
357.26370	0.2
363.20218	4.2
363.24438	0.3
377.21982	0.4
387.20120	1.7
405.21262	3.1
511.29318	0.2
519.31689	2.3
529.21014	0.2
529.30371	0.3
589.32288	0.4
591.20734	0.2
633.31097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03447	1.5
58.00600	0.4
59.01379	19.2
59.26074	0.2
60.01775	0.3
61.98798	0.4
68.99789	0.2
69.03452	4.1
71.01381	16.8
71.05012	0.4
71.43541	0.4
72.99301	0.6
73.02944	6.3
75.00860	0.5
77.53860	0.3
83.01379	3.3
83.05024	0.6
85.02949	9.7
85.06583	0.3
86.00069	0.4
87.00874	1.7
89.02443	4.7
93.03478	0.5
93.07093	2.5
95.01387	1.4
97.02936	0.6
97.06548	0.3
98.03739	0.3
99.00878	2.2
101.02440	14.3
102.02812	0.3
103.01488	0.9
106.04221	0.3
109.06580	0.6
109.70266	0.3
111.00871	1.8
111.08135	0.5
113.02451	19.2
116.92873	0.6
119.03510	1.9
125.02458	0.4
125.09708	0.4
127.07671	0.5
129.01945	0.9
131.03517	0.3
137.09705	1.5
139.04016	0.3
141.01924	0.5
143.03479	0.6
149.92200	0.3
159.02982	1.7
161.04506	1.9
171.10274	0.4
171.13795	0.3
173.04547	0.6
183.13887	0.3
185.15442	0.7
191.05560	0.8
201.14975	0.7
209.15361	0.4
227.16530	4.5
229.18011	1.5
279.23212	0.4
339.25339	0.3
357.26517	2.3
363.20197	0.6
375.23889	0.6
389.21866	6.5
390.22455	1.6
391.23431	2.5
422.21677	1.7
426.88480	0.3
441.28812	0.5
471.29407	0.4
483.28986	0.4
501.30624	0.4
513.30768	2.3
519.31720	100.0
520.32068	7.0
531.31812	0.4
573.34003	0.3
633.35162	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	633.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03431	1.8
59.01377	71.5
60.01709	0.5
61.98826	0.8
62.67426	0.3
63.96250	0.3
68.99817	0.4
69.03454	3.1
71.01380	18.4
71.05020	0.5
72.30776	0.3
72.99315	1.1
73.02940	8.9
75.00855	0.4
83.01382	4.5
83.05032	0.6
85.02948	9.5
87.00864	2.0
87.04581	0.3
89.02447	6.5
93.03479	0.7
93.07079	2.5
95.01389	1.8
96.96040	0.5
97.02937	0.7
97.06591	0.7
99.00879	2.6
101.02440	16.5
109.06590	0.5
111.00912	1.6
111.08167	0.6
113.02448	22.8
114.02835	0.4
119.03501	2.7
120.38249	0.3
121.06544	0.3
123.30920	0.3
125.02464	0.5
125.09725	3.5
126.90440	2.8
129.01981	0.7
131.03569	0.7
135.04555	1.2
137.09721	1.4
139.03981	1.7
139.07681	0.4
143.03531	0.8
143.50996	0.3
149.04594	0.9
159.03024	0.9
161.04572	5.0
165.12758	0.4
171.10297	1.9
173.04558	0.8
179.03502	1.4
179.05605	0.9
183.13853	0.5
185.15479	0.5
187.09767	2.1
187.11127	0.3
191.05573	1.6
197.15430	0.4
201.06409	0.3
201.14998	0.5
209.11784	1.3
209.15511	0.6
221.08206	0.4
225.11359	0.5
225.25749	0.3
227.16512	5.4
229.18130	1.5
279.23196	0.5
297.24451	0.4
303.23599	0.4
321.24283	0.4
345.19431	0.5
357.13464	0.4
357.26514	2.8
363.20251	0.9
389.21780	5.4
390.22525	1.3
391.23227	1.2
405.21295	0.4
409.07141	0.3
422.21649	0.7
423.18683	0.6
455.04935	0.4
483.29562	0.4
489.30948	0.4
501.30301	0.8
519.31714	100.0
520.32098	5.6
529.29822	2.5
547.31238	1.5
589.32391	1.8
609.23065	0.3
615.30493	0.4
633.31525	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	634.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03431	1.1
58.00582	1.3
59.01379	59.7
71.01379	37.8
72.99283	0.6
73.02933	1.6
83.01366	1.4
85.02955	8.2
87.00862	2.2
89.02445	49.1
95.01380	2.6
98.51070	0.6
99.00865	0.8
101.02438	21.7
113.02451	20.8
119.03496	12.2
125.02383	0.8
128.03537	0.8
129.01927	0.7
130.08743	5.8
131.03532	2.9
143.03517	5.7
149.04529	0.9
161.04538	6.2
179.05617	18.0
195.85216	0.6
231.54071	0.6
309.96350	0.6
323.09839	17.1
341.10812	1.4
347.77899	0.6
503.16174	100.0
504.16080	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	634.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05378	0.3
58.02972	5.1
58.99607	0.3
59.01379	2.7
61.98834	0.8
66.03506	0.4
68.06805	0.4
70.02944	0.7
71.01372	1.7
72.00912	0.5
73.02929	0.5
74.02473	9.6
81.04597	0.5
82.02981	1.0
82.95435	0.6
84.04541	0.5
85.02905	0.4
85.04085	0.5
86.02471	3.0
86.06107	0.8
86.81438	0.4
86.99102	1.4
87.05624	2.2
89.02444	1.9
90.00181	0.9
96.04567	0.4
96.96021	0.7
97.02998	0.6
97.04086	0.8
99.05640	8.2
99.06285	0.5
101.02450	1.0
101.07195	1.2
102.05611	1.0
107.06185	0.4
109.04081	1.2
109.07741	0.5
111.04585	0.3
111.05656	0.7
112.04047	0.9
113.02421	0.5
113.07217	0.5
116.01807	0.7
116.92860	1.7
119.03506	0.4
120.01258	0.6
123.04529	1.2
123.05643	1.0
125.03564	0.8
126.01977	0.4
127.05143	1.6
128.03546	23.6
129.03824	0.4
131.04633	0.5
135.05634	2.6
137.07243	0.5
141.06720	2.1
143.04630	32.9
145.06227	1.2
146.04599	2.7
149.07222	0.8
153.06694	2.5
154.40845	0.3
155.08243	0.5
160.00737	8.1
161.02371	0.4
166.09831	1.4
167.04651	2.7
167.08263	1.0
171.04222	0.4
171.07881	0.4
173.04486	0.6
177.03358	2.8
179.04619	7.3
181.06297	0.8
184.10956	0.7
185.05690	1.6
192.07832	0.5
197.05696	1.0
198.08850	0.5
210.08855	6.8
228.09920	0.4
242.07825	1.0
254.07806	6.6
272.08887	11.3
279.19788	0.4
288.06601	5.5
306.07651	100.0
307.07996	2.4
322.18048	0.4
323.18387	0.8
326.34964	0.4
367.17590	0.9
411.16339	1.2
412.17490	0.5
450.37320	0.5
591.22754	1.7
634.30884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25005	0.6
59.01371	7.1
69.50911	2.4
71.01378	16.2
73.02926	2.1
78.01093	0.8
81.03435	1.0
83.01395	0.8
85.02942	0.9
89.00304	1.4
89.02439	2.8
91.01901	0.7
93.03454	0.9
96.96024	7.1
98.21864	0.9
101.02429	2.6
106.00622	2.0
113.02452	1.8
115.00384	8.9
116.92929	0.9
119.03511	1.1
121.02953	31.4
123.00884	1.2
123.04565	0.8
135.11818	0.7
137.02402	4.0
138.03233	3.6
139.04060	1.0
141.31058	0.7
153.05569	24.0
155.03557	0.9
161.04509	1.2
165.15327	0.6
166.99915	1.0
175.15009	0.7
179.05586	0.8
181.01401	4.8
182.02176	4.4
183.02939	0.9
191.05597	1.1
197.04544	100.0
198.04890	2.1
243.04340	1.0
313.05719	4.3
315.02570	1.2
488.79318	0.7
521.06323	0.8
531.24982	0.7
597.01917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87222	0.6
59.01111	0.8
59.01375	7.5
64.55064	0.5
64.99906	0.6
65.00286	1.2
71.01380	18.4
73.02930	1.1
84.95114	1.7
85.00432	0.7
85.02954	1.8
87.00903	0.8
89.02459	2.9
91.01888	5.0
93.03425	1.7
95.01411	0.7
96.96014	2.8
101.02437	1.7
108.02171	5.3
109.28863	0.7
111.00837	0.6
113.02448	2.3
114.22703	0.5
115.00366	8.1
119.03494	0.8
119.05019	0.7
121.02943	5.4
123.00862	0.8
123.04530	22.3
133.01370	0.8
133.02982	3.4
134.90492	0.6
135.04517	0.8
137.02437	1.5
138.03235	0.6
151.00366	0.6
152.01173	5.0
153.05583	3.3
161.02397	0.7
161.04529	0.9
163.04042	0.9
167.03485	100.0
168.03836	1.8
170.50911	0.6
173.04527	3.1
174.83385	0.6
177.01926	2.3
181.01384	1.5
182.02194	1.1
191.05627	10.5
197.04544	16.6
237.05540	2.1
239.05571	0.7
283.01556	0.7
283.04578	9.2
313.05661	1.1
351.07159	1.8
404.69525	0.6
443.10104	0.8
531.24316	3.1
549.26044	0.9
635.19073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
61.98853	1.8
71.01394	1.2
71.25449	0.7
75.20432	0.8
82.95438	1.4
86.62419	0.5
89.02465	1.0
96.96026	0.9
104.08893	0.6
108.05689	0.6
113.02504	1.0
116.92901	1.8
118.92678	0.9
130.33054	0.6
132.02205	1.0
149.04619	0.6
160.01651	2.8
161.06125	0.8
175.04073	2.0
179.07191	2.3
190.06255	3.2
191.05664	0.9
203.07129	1.1
211.07701	0.7
213.05600	0.7
222.05211	1.0
222.07071	1.1
223.07635	0.7
225.05719	0.7
228.08038	0.9
237.05656	0.8
238.06346	1.7
239.07048	0.8
240.07932	5.1
249.52811	0.6
251.07109	1.4
253.04993	0.7
253.08734	1.2
255.06441	0.7
255.10304	1.9
256.07431	3.6
257.12067	0.9
266.05682	0.9
267.06616	2.5
267.10199	0.6
268.07379	11.0
269.08099	1.1
278.05917	0.8
279.06592	2.5
280.07376	5.2
281.08075	1.3
283.06406	1.6
283.09787	8.0
284.07037	3.0
284.09982	0.8
291.06586	0.8
293.08246	2.0
294.05539	1.2
294.08832	0.9
295.06131	2.2
296.06909	6.1
297.07669	1.9
299.09149	4.8
307.06131	1.4
308.06866	6.2
309.07681	6.5
310.08081	0.8
311.09250	3.4
312.06390	11.4
312.09915	0.7
321.07672	1.6
322.08365	4.5
323.09253	13.2
324.06314	5.5
324.10022	8.8
325.10693	0.7
326.11569	0.9
327.08701	32.1
327.12540	1.6
328.09015	1.2
330.18427	0.7
337.10776	1.4
338.11469	3.6
339.08716	39.4
339.12405	6.1
340.09006	2.1
341.10034	0.7
342.11066	33.9
343.11392	2.1
353.10242	1.0
354.11084	12.6
357.13419	100.0
358.13763	5.3
369.13397	90.1
370.13748	5.4
428.96841	0.6
463.21021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
57.03447	0.4
59.01376	15.7
61.98817	0.4
65.03950	0.6
69.03440	0.5
69.43159	0.3
69.66052	1.0
71.01385	1.9
73.02947	1.3
82.95429	0.4
83.01396	0.4
83.05046	0.3
85.02942	0.8
87.00896	0.7
87.04466	0.3
88.98795	0.4
89.02441	1.4
90.48751	0.3
91.21255	0.2
93.03457	60.6
94.03812	0.9
95.05033	0.5
96.96023	0.9
97.54747	0.3
99.04511	0.5
101.02454	1.3
107.05031	0.5
109.06510	0.3
111.00890	0.3
113.02440	1.8
116.92863	1.2
119.03526	0.4
121.02939	1.7
125.02433	0.8
127.04044	0.3
133.43106	0.3
135.04558	0.6
137.02443	100.0
138.02774	2.0
139.03999	3.5
155.03410	0.5
161.09746	0.3
161.13324	0.9
163.03998	0.8
171.10248	0.5
173.04594	0.7
179.03520	0.8
187.11276	3.3
191.05652	1.5
201.11258	0.4
205.12340	1.2
209.11810	0.3
249.11307	0.8
267.12500	0.5
269.08185	0.5
273.11169	0.4
299.07794	0.6
315.12421	0.6
349.16608	1.0
393.15332	0.5
453.17532	1.5
487.19562	1.5
521.33264	0.5
531.18530	1.6
531.31769	0.5
549.20026	1.0
549.32898	0.4
591.20709	2.6
635.32642	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	635.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40104	0.3
57.03465	0.4
57.72285	0.3
59.01377	16.9
61.98827	0.3
65.87595	0.3
69.34380	1.7
71.01385	2.2
73.02934	0.6
83.01384	0.5
85.02944	0.8
87.00867	0.6
89.02407	0.7
93.03456	60.7
94.03796	0.9
98.22617	0.6
101.02450	1.3
103.00381	0.7
107.05007	0.5
113.02448	1.6
116.92858	0.6
117.56031	0.3
119.05011	0.4
121.02940	0.5
123.04545	1.0
124.71072	0.3
132.05893	0.3
135.04524	0.8
137.02441	100.0
138.02794	1.9
139.04021	1.5
151.04063	0.3
155.03590	0.4
161.02449	0.3
161.04524	0.3
161.13377	0.9
171.10175	0.5
173.04614	0.5
179.03523	0.4
187.11307	3.7
191.05664	1.1
205.12375	1.1
229.12370	0.5
249.11267	0.8
273.11475	0.5
281.06738	0.6
289.10870	0.7
289.34558	0.3
299.07816	0.5
315.12433	0.4
345.11874	0.3
349.16702	0.8
393.15530	0.6
453.17691	1.6
460.25369	0.3
462.70673	0.3
487.19867	1.9
494.95596	0.4
521.33209	1.3
531.18829	1.4
531.31604	1.1
549.19922	1.3
591.20941	4.0
591.33435	1.5
635.33911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74016	0.3
59.01378	12.6
65.03954	0.3
69.19196	1.3
71.01382	0.9
73.02947	0.3
83.01352	0.5
85.02946	0.4
87.00868	0.3
89.02433	0.3
93.03457	62.9
94.03780	0.8
96.96003	1.1
101.02438	0.7
103.00288	0.3
113.02440	0.9
116.92943	0.4
119.03536	0.3
119.05062	0.5
135.04509	0.4
137.02441	100.0
138.02771	2.1
139.04019	1.4
155.03583	0.4
161.13364	0.7
163.04033	0.7
171.10294	0.4
179.03500	0.6
187.11290	5.5
191.05615	0.6
205.12311	1.2
209.11867	0.4
211.03976	0.3
214.61180	0.3
231.10448	0.3
249.11418	0.5
254.05836	0.5
269.08176	0.8
273.11505	0.3
281.06595	0.3
284.40515	0.3
299.07669	1.0
315.12311	0.6
349.16367	1.4
367.78720	0.3
393.15570	0.6
453.17755	1.2
487.19653	1.8
521.33478	0.8
531.18939	2.3
549.19812	0.6
591.20880	4.4
591.30530	0.4
591.34161	0.4
635.31415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
61.98853	1.8
71.01394	1.2
71.25449	0.7
75.20432	0.8
82.95438	1.4
86.62419	0.5
89.02465	1.0
96.96026	0.9
104.08893	0.6
108.05689	0.6
113.02504	1.0
116.92901	1.8
118.92678	0.9
130.33054	0.6
132.02205	1.0
149.04619	0.6
160.01651	2.8
161.06125	0.8
175.04073	2.0
179.07191	2.3
190.06255	3.2
191.05664	0.9
203.07129	1.1
211.07701	0.7
213.05600	0.7
222.05211	1.0
222.07071	1.1
223.07635	0.7
225.05719	0.7
228.08038	0.9
237.05656	0.8
238.06346	1.7
239.07048	0.8
240.07932	5.1
249.52811	0.6
251.07109	1.4
253.04993	0.7
253.08734	1.2
255.06441	0.7
255.10304	1.9
256.07431	3.6
257.12067	0.9
266.05682	0.9
267.06616	2.5
267.10199	0.6
268.07379	11.0
269.08099	1.1
278.05917	0.8
279.06592	2.5
280.07376	5.2
281.08075	1.3
283.06406	1.6
283.09787	8.0
284.07037	3.0
284.09982	0.8
291.06586	0.8
293.08246	2.0
294.05539	1.2
294.08832	0.9
295.06131	2.2
296.06909	6.1
297.07669	1.9
299.09149	4.8
307.06131	1.4
308.06866	6.2
309.07681	6.5
310.08081	0.8
311.09250	3.4
312.06390	11.4
312.09915	0.7
321.07672	1.6
322.08365	4.5
323.09253	13.2
324.06314	5.5
324.10022	8.8
325.10693	0.7
326.11569	0.9
327.08701	32.1
327.12540	1.6
328.09015	1.2
330.18427	0.7
337.10776	1.4
338.11469	3.6
339.08716	39.4
339.12405	6.1
340.09006	2.1
341.10034	0.7
342.11066	33.9
343.11392	2.1
353.10242	1.0
354.11084	12.6
357.13419	100.0
358.13763	5.3
369.13397	90.1
370.13748	5.4
428.96841	0.6
463.21021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69844	0.9
55.01868	1.3
58.37045	1.1
59.01375	56.2
60.07394	1.0
60.69220	0.9
66.48132	1.0
69.10013	3.9
69.10434	3.2
71.01377	20.6
73.02943	31.3
82.09093	0.9
83.01391	5.2
85.02943	6.1
87.00884	1.8
88.56385	1.1
89.02436	12.5
95.01366	1.2
96.96004	4.2
99.00886	1.4
101.02451	18.7
102.02931	1.0
106.06622	3.2
109.15365	1.1
112.38617	0.9
113.02447	11.8
119.03508	4.2
122.06100	1.7
127.60458	1.0
130.02979	4.2
131.03729	4.7
132.04532	4.4
134.06117	38.3
139.03996	2.2
143.03516	1.4
146.06100	2.1
148.04021	1.8
152.07153	4.1
155.07327	1.0
158.02490	13.5
160.03990	1.4
161.04550	3.4
162.05621	3.4
164.07138	1.1
176.03499	1.6
190.05083	60.4
191.05573	3.3
192.06633	4.5
201.04266	1.0
203.93872	1.2
222.07701	23.8
234.07727	2.9
249.10341	1.9
263.08209	1.4
277.09943	2.9
296.11411	4.3
305.09308	4.5
309.08762	3.2
309.12442	3.0
314.12518	3.1
322.09763	1.2
325.11255	1.3
337.11917	26.8
343.12314	2.2
356.13422	2.8
369.14487	17.0
474.19443	1.1
499.17102	1.5
515.24957	16.4
517.18018	2.2
531.19769	4.2
533.25684	6.0
549.21014	5.5
559.19330	60.5
560.19812	3.4
575.27325	2.6
591.21912	100.0
592.22101	7.9
616.96021	1.1
635.25488	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	635.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.7
59.01379	18.4
66.84361	0.5
69.51387	1.1
69.51787	1.3
70.02979	7.0
71.01382	12.1
71.02506	2.9
72.00912	3.7
83.01424	0.6
85.02969	2.8
85.04010	0.6
87.00874	1.6
87.04478	0.6
88.04046	1.2
89.02444	16.8
95.02521	7.7
98.21852	1.2
101.02431	6.3
111.02014	2.4
113.02444	7.6
113.03575	35.3
114.01972	29.3
115.00420	0.7
119.03486	5.4
131.04622	100.0
132.03035	4.9
143.03464	1.2
161.04518	2.7
179.05614	13.7
212.69276	0.6
233.06474	0.8
276.47925	0.5
293.08722	2.1
323.09766	5.2
341.10797	1.5
503.16196	44.8
504.16443	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	635.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06427	0.2
54.07993	0.2
55.01860	0.2
57.03448	0.4
59.01372	1.5
60.18587	0.2
61.98819	1.2
67.01878	0.2
69.03454	3.0
69.20605	0.2
70.96015	0.3
71.01382	2.3
73.02933	0.7
76.03697	0.2
85.02938	1.6
89.02457	0.4
93.03432	0.2
95.01359	0.4
96.96055	0.3
98.00079	0.2
101.02439	1.4
108.02186	0.4
109.02974	0.5
113.02441	10.6
121.02937	2.2
122.03774	1.3
123.00896	0.4
123.04510	0.7
124.01646	0.5
125.02413	0.9
134.03726	0.4
135.04468	0.4
136.05312	1.2
137.02425	0.6
137.06050	0.6
143.05009	0.7
145.02956	0.3
147.04536	1.4
149.02425	0.8
150.03227	1.7
151.03993	0.3
153.05571	0.3
158.03664	1.8
159.04503	5.5
160.05286	21.3
161.04549	2.0
161.06050	5.2
161.32452	0.3
163.04001	2.1
164.04791	2.5
173.06041	2.9
174.06857	1.6
175.07628	19.4
176.04810	0.6
176.07974	0.4
177.05569	3.4
178.06340	12.0
179.06812	0.3
191.05603	0.2
191.07176	0.4
192.07896	6.0
193.08687	2.4
217.14465	0.2
287.05606	0.2
314.11511	0.6
315.08640	0.5
329.13901	100.0
330.14261	3.7
344.12534	0.5
345.67691	0.2
359.14963	21.1
360.15143	0.6
433.09293	0.5
451.10248	0.2
463.56744	0.3
491.19006	1.3
521.20258	5.9
522.20544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16477	0.5
56.34956	0.5
59.01379	2.6
61.84850	0.6
69.03445	3.2
71.01379	3.4
71.41477	0.6
73.02922	0.8
79.27654	0.5
82.95383	0.8
85.02929	1.3
89.02438	1.1
93.03458	0.8
96.96011	2.0
99.00876	0.7
101.02434	2.1
111.76685	0.6
113.02444	10.2
114.44648	0.5
116.92844	1.3
121.02964	2.4
122.03742	1.3
124.01659	0.7
136.05266	1.2
137.06128	0.7
147.04497	1.6
149.02386	1.3
150.03198	2.5
152.01225	0.7
158.03659	1.3
159.04506	6.0
160.05293	19.8
161.04562	2.6
161.06062	5.2
163.04007	1.9
164.04800	2.0
167.03487	0.7
173.04597	1.1
173.06061	2.0
174.06883	0.9
175.07635	18.8
177.05569	4.3
178.06348	9.1
191.05574	1.1
192.07938	4.2
193.08673	1.6
248.46329	0.6
251.35010	0.7
273.05850	3.3
329.13919	100.0
330.14297	3.8
359.14951	17.1
360.15414	0.6
436.11810	0.9
521.19940	1.4
599.18103	2.0
635.31555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91642	1.2
57.03426	3.2
58.20061	1.2
59.01378	100.0
60.01708	1.4
61.98807	2.9
66.60930	1.4
69.03436	3.5
71.01382	31.0
72.99309	1.5
73.02940	6.1
73.73608	1.2
83.01367	4.0
85.02943	11.1
87.00893	6.5
88.98777	1.8
89.01929	2.4
89.02442	27.2
93.03455	6.2
95.01367	2.9
95.05058	1.9
96.95971	2.7
97.06604	1.5
99.00919	1.6
101.02454	20.1
103.01489	1.7
111.00877	1.9
113.02451	27.4
116.92860	2.1
119.03509	7.7
119.05024	11.2
124.45045	1.4
135.04524	2.2
137.02448	21.6
137.06032	2.4
139.04007	4.7
143.03502	2.9
143.95085	1.2
155.03557	2.1
157.75278	1.4
159.11865	1.9
161.04515	4.4
161.13336	14.6
171.10257	24.7
173.04562	2.9
179.05569	3.7
187.11284	37.6
191.05568	6.2
201.11394	7.3
201.14970	1.6
205.12323	17.3
209.11830	16.5
227.12939	2.6
235.08354	1.7
247.13347	1.8
253.09369	2.9
289.10901	2.4
299.11349	33.6
359.27942	3.6
411.17200	1.5
487.23364	15.7
521.33380	65.3
531.22479	3.7
531.31323	1.4
549.23657	2.1
549.32227	1.4
591.24042	4.0
591.33691	7.2
610.80267	1.4
626.94104	1.6
635.31647	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03447	1.0
58.21025	0.6
59.01377	100.0
60.53093	0.7
61.98827	1.3
68.99574	2.2
69.03475	1.6
69.10854	3.0
69.11253	1.1
71.01383	9.0
73.02956	2.6
83.01409	1.4
85.02937	4.5
87.00896	2.0
89.02445	5.1
93.03468	8.0
95.01398	1.2
95.05012	1.1
96.96023	2.2
99.00916	0.8
101.02429	7.0
103.00375	0.8
106.04283	1.8
107.05037	3.4
111.00902	0.8
111.04501	0.8
112.98570	2.0
113.02446	6.7
113.06119	0.7
116.92870	2.7
119.03545	1.0
119.05017	3.1
121.02986	1.6
122.03736	0.8
123.04522	5.9
125.02482	1.0
135.04564	1.9
137.02464	8.8
137.06079	65.9
139.04010	6.7
143.03522	1.1
147.36151	0.6
155.03531	1.8
155.34615	0.6
157.06667	0.8
159.10355	0.6
161.04550	2.7
161.09761	1.6
161.13388	6.5
165.34840	0.7
171.10310	1.6
173.04559	1.3
179.05643	1.0
181.05145	1.7
187.11259	14.9
187.12756	1.0
189.09236	0.9
191.05602	3.2
205.12367	5.4
209.11836	1.0
231.10446	0.8
237.14993	1.7
259.27228	0.7
273.11307	0.9
289.10797	4.6
319.17920	0.8
347.06839	0.7
349.16501	5.8
359.27670	0.8
363.20181	0.7
451.16306	2.1
487.23605	2.0
521.33533	5.3
531.22644	4.7
531.32043	9.9
547.25995	0.8
549.23590	3.8
549.33044	3.1
552.45032	0.7
589.36658	0.8
591.24817	6.6
591.34155	7.3
635.35382	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	635.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10504	0.5
57.03444	1.0
58.00610	1.3
58.87162	0.5
59.01378	100.0
69.03456	1.9
69.42516	1.3
69.42915	1.1
71.01379	48.7
72.99314	1.4
73.02946	1.5
83.01389	2.2
85.02951	6.7
87.00882	3.2
89.02444	78.2
95.01389	3.2
97.02925	0.6
98.21860	0.9
101.02440	29.3
107.03545	0.6
108.02168	0.9
109.02923	1.5
113.02454	28.8
119.03505	38.4
121.02949	1.1
122.03744	1.1
123.04501	1.5
125.02429	1.2
131.03508	5.0
143.03506	8.0
149.04553	3.6
151.04050	0.6
159.04497	2.1
160.05289	4.7
161.04584	9.4
161.06024	1.6
172.05305	3.2
173.06010	2.0
174.06795	0.7
175.07591	2.3
179.05614	37.6
187.07578	1.4
189.05595	4.6
190.06358	5.5
191.05579	0.8
204.07895	0.6
205.08716	4.4
207.88914	0.6
238.79428	0.5
281.08231	1.6
295.09613	0.9
296.10568	3.6
308.10474	0.6
311.12863	4.3
329.13675	2.0
341.13889	17.0
342.14301	0.8
521.20264	39.6
522.20117	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	635.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03426	2.2
57.99365	1.1
59.01377	100.0
59.48148	1.2
61.98807	1.4
66.61626	1.1
69.03460	1.5
69.74657	1.1
70.33635	1.1
71.01379	45.4
72.99321	2.3
73.02943	27.3
83.01392	6.8
85.02943	13.3
87.00892	2.3
89.02442	32.9
95.01384	4.1
96.95998	9.8
99.00891	1.1
101.02436	32.6
109.02975	1.5
113.02444	33.0
119.03509	17.8
120.39630	1.3
125.02425	2.8
131.03514	2.9
137.09755	1.2
143.03476	6.0
149.04581	3.9
150.03188	2.6
159.03114	1.4
161.04521	14.2
163.03830	1.3
165.01799	2.0
165.05576	2.0
174.05634	1.6
179.05626	11.1
180.04234	1.3
182.02090	1.3
191.05675	2.1
195.02873	1.2
195.06639	4.7
197.04510	3.1
213.00754	1.2
279.11337	1.5
369.18915	2.8
387.20398	1.4
501.18356	1.8
531.24554	39.8
532.24609	2.1
545.17816	2.0
549.25513	20.5
550.25903	2.1
591.26843	9.0
635.20221	2.5
639.26184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98809	3.5
69.03438	1.4
69.06799	2.7
69.07201	6.2
71.01379	47.7
73.02941	9.6
83.01371	4.3
85.02946	15.4
87.00864	4.1
89.02442	38.4
90.15067	1.4
95.01376	3.7
95.35566	1.6
96.95999	6.4
99.00856	3.3
101.02438	24.0
108.02206	1.5
113.02454	30.1
116.92822	2.5
119.03499	13.3
130.34212	1.5
131.03445	2.4
135.04472	1.8
137.02397	1.7
141.09195	4.2
143.03464	4.1
152.01157	2.8
157.93161	1.6
159.02954	1.6
161.04572	8.5
165.05522	1.6
167.03491	7.8
169.08688	20.1
172.09795	1.6
179.05583	10.7
182.02211	2.2
191.05569	4.0
197.04495	3.8
213.07671	17.5
257.06659	7.1
310.45020	1.5
365.33609	1.3
369.19019	3.1
380.07178	1.3
504.58154	1.5
531.24493	63.7
532.24670	2.8
544.44556	1.4
549.25470	28.9
550.25970	2.3
591.26617	9.4
635.18109	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	635.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03444	2.5
58.00586	1.1
59.01379	100.0
60.01709	1.0
69.03455	2.1
69.19788	6.4
71.01382	44.9
73.02956	11.2
82.95393	2.0
83.01395	5.0
85.02956	17.6
87.00875	7.1
89.02446	26.2
93.03469	2.7
95.01388	4.2
96.95980	2.4
97.02917	2.6
98.22622	1.8
99.00842	1.8
101.02438	28.4
101.40031	1.1
111.00896	1.7
113.02446	23.0
115.76038	1.0
116.92828	1.9
119.03497	9.4
119.05016	1.5
121.02978	1.3
123.04484	1.6
124.51965	1.2
125.02447	5.5
131.03494	2.7
135.04538	1.8
139.04015	1.9
143.03529	5.5
149.04672	1.1
154.21603	0.9
159.02997	1.5
161.04622	6.4
163.03992	2.0
165.05623	1.3
166.94783	1.1
173.04570	1.3
173.09428	1.2
179.05568	3.5
191.05624	6.5
195.06459	1.3
221.06590	1.1
315.02713	3.1
387.20337	2.2
414.28354	1.2
521.05969	1.5
531.24451	86.0
532.24902	8.0
549.25513	44.5
549.34106	1.8
550.25854	3.6
591.26624	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	635.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43485	1.0
57.03441	2.3
59.01377	100.0
61.98831	2.4
66.30441	1.1
71.01377	29.2
73.02939	10.7
74.37417	1.0
75.00866	1.9
82.95419	5.2
83.01373	2.7
84.95123	3.6
85.02943	12.1
86.54323	1.0
87.00866	3.6
88.98789	1.1
89.02440	23.2
93.03484	3.0
95.01386	3.5
96.96001	3.2
97.03003	1.1
99.00883	2.0
101.02443	18.3
109.02934	6.0
113.02438	21.0
116.92857	3.7
119.03508	8.6
119.05000	1.5
121.02963	1.6
123.04480	1.1
125.02441	1.9
127.07628	1.3
131.03535	1.2
134.06068	1.3
135.04547	1.7
137.02374	1.2
139.04002	4.6
143.03514	4.7
159.03055	1.6
159.04463	1.9
161.04562	9.3
169.84029	1.2
171.06647	2.1
173.04518	2.8
179.03590	1.1
179.05589	7.9
179.10815	2.0
183.52985	1.0
189.05556	1.6
191.05598	5.8
191.07124	1.0
209.11807	1.3
229.04260	1.8
241.05052	4.1
255.06618	2.3
269.08359	1.2
299.09363	3.1
313.10825	3.3
329.10245	2.4
343.11850	1.2
344.12674	13.5
359.14972	51.3
360.15271	2.0
369.19037	1.5
429.17563	1.3
473.16061	1.4
521.20050	6.5
521.26709	1.5
531.24432	50.5
532.24683	4.3
535.27686	1.4
549.25574	13.8
550.25311	1.3
575.19336	2.3
575.27435	1.7
591.26465	7.4
635.21539	3.6
638.94421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53643	0.7
55.86880	0.8
58.02972	2.2
59.01365	1.9
61.56450	0.7
61.98821	1.2
68.11094	0.7
69.47150	3.0
71.01380	0.9
72.00890	1.7
73.04068	13.8
74.02449	1.2
83.02496	1.5
84.00887	1.6
85.02937	0.9
85.14880	0.7
87.05632	7.3
88.04028	0.9
89.02431	1.3
91.05540	2.8
93.03450	1.1
95.02517	4.5
96.95998	1.3
99.01998	5.1
101.07223	1.0
110.02464	3.3
111.01981	2.9
111.05668	0.8
112.04011	1.7
112.05161	3.8
113.02448	1.2
113.03573	3.2
113.96362	0.8
115.05151	1.3
116.92803	0.9
125.03584	2.3
126.06691	3.8
126.09251	1.1
127.05120	1.9
129.06709	10.9
129.10408	1.2
130.06212	7.3
134.03519	0.7
139.08801	1.7
141.10280	1.3
142.06206	1.2
144.07782	14.5
147.04506	6.0
151.08759	3.5
158.09331	0.9
160.05394	1.1
164.07187	9.8
165.10352	2.3
168.07759	5.0
168.11456	4.0
169.06128	1.3
169.09827	7.4
175.03955	2.0
177.10339	5.2
178.06255	1.0
183.08867	6.7
183.11296	1.7
186.08862	9.7
186.12454	23.1
187.07207	0.9
191.05663	1.1
200.14014	1.0
201.09933	5.3
203.08237	2.3
205.22931	0.8
221.09314	2.7
225.09952	5.1
225.13541	4.3
234.12469	1.1
243.10960	16.0
243.14583	5.7
254.09496	6.9
269.11813	13.8
290.18704	3.2
296.17078	1.1
300.16837	0.8
305.16129	1.5
312.17126	1.8
316.16629	1.7
329.13751	4.8
334.17581	3.0
347.17148	1.3
347.20847	8.9
391.19916	3.6
404.23090	1.6
431.17322	1.2
448.22119	2.0
477.21616	1.0
517.28387	0.9
561.26752	14.1
562.26764	1.4
573.26581	3.9
591.27777	35.6
592.28271	2.2
605.29315	10.2
617.29657	4.3
635.30414	100.0
636.31165	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	635.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
69.07365	0.7
69.07774	1.2
73.02950	0.9
75.00877	5.3
99.00906	1.1
99.92583	12.1
115.03979	0.6
116.92860	100.0
116.97253	13.6
117.01929	4.4
117.05569	0.8
117.92873	1.4
188.95464	0.3
190.06100	0.3
220.36589	0.3
288.52798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
67.57429	0.3
71.44843	0.3
73.02924	0.6
75.00874	2.6
78.95921	0.5
99.00848	0.7
99.92579	10.2
100.92552	0.4
116.92854	100.0
116.97234	6.5
117.01939	1.8
117.92876	2.3
127.97581	0.3
155.16458	0.3
163.64960	0.3
258.21933	0.4
280.19458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03442	2.7
59.01378	100.0
60.01704	1.3
61.98834	1.6
69.03455	2.1
69.17455	4.8
71.01381	35.2
72.99306	1.8
73.02945	7.1
83.01408	3.0
83.05058	1.8
85.02943	11.0
86.03305	0.9
87.00882	3.4
88.98827	1.0
89.02444	24.8
93.03446	2.6
95.01415	3.9
95.05019	1.4
96.95994	0.8
99.00890	2.1
101.02444	23.9
102.02789	1.1
107.05038	2.9
111.00877	1.2
113.02450	21.4
114.02771	1.3
115.07694	1.6
116.92852	2.1
119.03497	8.0
119.05033	3.4
120.03036	0.7
124.49146	0.6
126.90382	1.6
127.11394	0.7
128.90144	1.8
131.03503	1.3
132.54897	0.8
133.85083	0.8
135.04527	1.9
137.02444	9.1
138.05618	2.1
139.04007	12.7
143.03517	2.5
151.03949	1.0
153.09267	1.1
157.08653	1.3
161.04562	3.5
161.09723	1.2
161.13365	5.7
163.01035	0.9
163.04068	0.7
171.10204	1.0
173.04535	1.5
179.03479	0.9
179.05606	3.1
187.11267	9.4
189.09204	1.0
191.05603	2.8
191.18102	0.9
203.10764	0.8
205.12320	6.8
209.11964	1.2
249.11340	1.1
255.10298	1.5
268.26047	0.8
275.20123	0.8
281.10181	1.0
290.75867	0.8
293.21252	11.7
294.79977	0.9
295.22836	1.0
299.11395	9.1
322.20132	2.1
331.12430	0.8
341.11237	0.8
347.20715	2.9
359.27942	5.8
391.22784	1.2
455.26489	3.0
473.27200	5.9
487.23441	4.6
488.23694	1.2
515.32483	8.4
519.31714	2.8
520.32214	4.5
521.32996	53.1
522.33759	2.0
531.22693	1.2
531.31464	2.1
549.23834	1.0
575.34619	1.1
591.24664	1.5
591.33862	5.2
600.86548	0.8
613.81293	1.0
617.31714	1.1
635.32703	88.2
636.33026	6.7
648.85364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36497	1.6
51.85228	1.7
55.01885	15.8
57.03461	1.9
59.01378	89.7
62.96506	1.6
69.17206	9.1
70.18209	1.6
71.01378	18.6
73.02947	15.8
83.01368	5.7
85.02948	5.9
86.41807	1.7
87.00875	1.7
89.02452	8.8
95.01334	2.1
98.21808	3.0
99.00861	3.0
101.02440	17.0
112.01672	31.3
113.02452	20.0
119.03534	1.9
125.02486	2.0
127.04012	27.5
144.00630	13.3
161.04402	3.4
191.05595	2.4
257.06482	2.3
260.16534	3.1
300.08072	3.4
304.15436	2.6
432.20447	3.4
448.19669	5.9
466.20776	5.5
505.15152	5.5
508.22012	8.8
562.22876	6.6
576.24500	58.1
577.24646	2.5
594.25543	26.5
636.26508	100.0
637.26508	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	636.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36497	1.6
51.85228	1.7
55.01885	15.8
57.03461	1.9
59.01378	89.7
62.96506	1.6
69.17206	9.1
70.18209	1.6
71.01378	18.6
73.02947	15.8
83.01368	5.7
85.02948	5.9
86.41807	1.7
87.00875	1.7
89.02452	8.8
95.01334	2.1
98.21808	3.0
99.00861	3.0
101.02440	17.0
112.01672	31.3
113.02452	20.0
119.03534	1.9
125.02486	2.0
127.04012	27.5
144.00630	13.3
161.04402	3.4
191.05595	2.4
257.06482	2.3
260.16534	3.1
300.08072	3.4
304.15436	2.6
432.20447	3.4
448.19669	5.9
466.20776	5.5
505.15152	5.5
508.22012	8.8
562.22876	6.6
576.24500	58.1
577.24646	2.5
594.25543	26.5
636.26508	100.0
637.26508	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	636.266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	10.2
59.01377	3.7
70.02978	3.4
71.01384	1.3
72.00903	3.1
89.02421	0.8
91.05539	6.9
96.96002	0.6
99.92608	0.6
101.02425	1.0
111.21923	0.5
113.02471	0.5
116.92865	2.4
147.04530	16.9
162.09274	0.5
164.07172	47.8
165.07573	0.8
168.57230	0.5
188.67892	0.6
206.08214	100.0
207.08537	2.2
220.28795	0.4
250.07222	1.0
307.26459	0.5
636.20947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63058	0.2
59.01380	2.1
60.23824	0.2
65.00325	0.5
65.68876	0.2
67.01875	0.5
68.72104	0.2
69.76714	0.2
71.01377	13.8
72.84635	0.2
73.02938	0.7
74.59928	0.2
81.83689	0.2
83.01363	0.3
85.02918	1.2
85.17947	0.2
87.00861	0.3
89.02425	0.7
91.01318	0.3
91.01888	5.0
91.13573	0.2
93.03446	3.8
96.96001	0.8
101.02429	0.7
108.02165	4.7
109.02953	0.4
111.00859	0.4
111.04511	0.7
113.02461	0.5
115.00366	7.3
116.92864	0.3
119.03445	0.3
119.05000	0.3
123.04523	23.9
124.01643	0.3
124.04825	0.3
126.69002	0.2
133.01413	0.6
134.03719	0.4
135.04517	7.5
135.05498	0.5
137.02431	0.7
152.01135	5.7
155.03491	0.9
161.02472	0.6
161.09692	0.3
167.03488	100.0
168.03815	1.5
173.04533	12.8
179.03487	8.1
179.07085	0.6
189.09201	0.8
191.05606	6.3
192.41887	0.3
197.04562	0.6
205.08673	0.7
215.07263	0.3
263.04611	0.2
277.07181	0.3
283.04587	13.2
353.08755	10.4
354.08969	0.5
395.83572	0.2
415.16116	0.3
439.12518	2.8
532.24719	0.3
533.26257	0.3
577.21960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
65.00317	0.4
68.32291	0.4
70.35297	0.9
71.01379	12.3
72.97525	0.4
81.03414	0.5
85.02958	1.3
89.02422	0.4
91.01886	4.4
91.51900	0.4
93.03462	3.0
101.02438	0.6
108.02161	4.3
113.02460	0.8
115.00371	7.9
119.03484	0.4
123.04518	19.7
132.51991	0.5
133.01364	0.6
134.03825	0.4
135.04524	6.7
137.02501	0.6
152.01180	4.6
156.26263	0.4
161.02423	2.9
167.03488	100.0
168.03848	1.6
169.04002	0.6
171.03313	0.5
171.84511	0.4
173.04535	11.7
174.04788	0.5
179.03502	8.4
191.05594	5.6
197.04581	0.8
211.55643	0.5
274.57120	0.4
283.04575	12.8
353.08792	11.2
354.83429	0.4
469.05841	0.4
475.14600	1.2
637.19965	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	637.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43738	0.3
65.00326	0.4
71.01380	11.5
74.78648	0.3
78.00085	0.3
85.02946	0.7
86.87469	0.3
90.36329	0.3
91.01891	5.3
108.02168	5.1
109.02984	0.4
115.00371	7.0
123.04526	22.4
124.04832	0.5
133.01433	0.6
135.04578	0.3
152.01163	5.2
153.04518	0.3
163.90874	0.3
167.03491	100.0
168.03854	2.2
179.03493	0.5
191.05609	14.5
283.04584	10.0
295.59052	0.3
353.08667	1.8
559.14349	0.3
575.47162	0.4
669.57782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21996	0.3
59.01373	0.8
62.70321	0.4
67.89361	0.3
69.37064	1.2
69.37470	0.6
73.40702	0.3
73.98394	0.3
93.03471	0.8
106.04247	0.4
117.03470	0.6
121.02956	2.8
122.03725	3.4
123.04517	0.4
125.02396	0.4
130.08795	0.4
132.02101	0.4
133.02916	1.5
134.03735	43.6
135.04077	0.8
137.02444	3.4
139.04008	0.9
145.76080	0.4
149.02443	5.2
149.06076	11.2
150.03220	27.0
151.03773	0.4
154.54372	0.4
161.02425	0.4
164.04747	1.1
165.05559	29.7
166.05856	0.8
175.04015	0.5
178.02707	24.9
179.03082	0.4
180.04280	2.4
188.23601	0.4
191.05588	0.7
193.05042	100.0
194.05394	2.2
195.06610	22.4
196.06906	0.4
209.04639	0.4
219.03079	0.4
239.05498	0.6
269.08185	0.7
282.08881	0.5
341.10303	1.9
345.13480	1.1
371.11249	0.7
389.12396	9.5
390.12720	0.5
577.28589	0.5
593.18719	3.7
628.59424	0.4
637.15393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20628	0.2
56.19255	0.3
59.01380	2.6
67.99327	0.3
70.02974	0.4
70.53547	0.4
71.01377	15.8
72.99308	3.1
73.02935	0.3
79.41753	0.3
87.00868	0.9
88.04041	1.5
89.02435	3.3
89.04393	0.3
95.02498	0.4
101.02457	0.9
113.02432	0.8
113.03572	1.8
114.02017	1.5
114.03899	0.4
115.00372	42.2
115.04018	0.5
116.00735	0.5
119.03507	0.5
131.04619	3.8
132.03030	4.5
132.04959	0.5
133.01428	100.0
133.05049	1.6
134.01750	0.7
179.05573	0.3
201.46045	0.3
266.69287	0.3
295.10327	3.3
503.16055	0.5
504.16168	0.5
505.17004	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	637.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01076	0.6
59.01376	11.3
61.98797	0.3
67.01893	0.3
71.01381	1.2
73.02947	0.4
75.00874	1.1
83.01384	0.3
85.02948	0.6
87.00836	0.3
88.98795	0.7
89.02435	0.7
93.03453	6.6
99.92567	0.3
101.02453	1.0
103.00397	0.4
109.02936	0.3
113.02451	0.8
116.92855	1.3
118.02985	0.4
118.77785	0.2
118.98072	0.8
121.02959	7.5
137.02493	0.7
139.04008	100.0
140.04337	1.5
150.03206	0.6
161.13339	0.8
165.05540	0.8
183.06599	0.7
187.11224	1.3
189.09282	0.3
191.05659	0.3
201.04088	1.0
205.12260	0.9
227.10864	0.4
271.09760	0.4
283.02390	0.3
301.09302	6.1
324.11893	0.3
349.16476	0.6
393.15564	0.4
453.17731	0.5
489.21249	8.2
490.22003	0.5
522.33875	0.3
522.75781	0.3
533.20203	2.7
551.21021	1.3
577.25513	0.3
593.22406	4.8
593.31488	0.5
594.22986	0.5
637.26074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99858	0.2
51.30377	0.2
55.01886	0.5
55.21020	0.2
56.79667	0.2
59.01381	0.8
64.27955	0.1
65.40782	0.2
67.71504	0.2
69.12943	0.6
69.13371	0.7
71.01366	0.7
84.44352	0.2
84.44875	0.2
85.02946	0.4
85.43127	0.2
87.00879	1.3
89.02434	0.3
95.05083	0.3
98.21898	0.5
101.02444	0.4
109.02940	0.4
113.02420	0.3
114.93430	0.4
122.75666	0.2
136.05298	9.8
137.05637	0.2
153.01936	0.5
161.04564	1.2
168.10706	0.2
171.08153	0.5
183.11784	0.7
225.09210	0.2
227.10773	100.0
228.11128	3.1
251.10704	0.6
269.11713	0.3
371.15002	3.8
372.15350	0.2
389.16110	3.0
431.17068	5.2
432.17465	0.3
481.58710	0.2
521.12323	0.3
657.02197	0.2
659.55133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03435	2.5
59.01378	100.0
61.98817	1.3
65.69627	1.4
70.57221	2.4
71.01381	45.4
72.99308	2.6
73.02950	20.2
73.24856	1.4
83.01385	4.7
85.02944	19.7
87.00872	2.5
89.02446	33.4
93.03453	2.1
95.01366	4.0
96.95998	3.2
99.00873	1.8
99.92587	2.0
101.02442	31.0
110.88790	1.4
113.02446	30.1
116.88200	1.3
116.92858	15.3
119.03531	12.4
119.05048	1.3
121.02960	4.5
125.02485	1.6
131.03477	1.9
143.03494	3.8
143.71521	1.5
149.04607	2.0
161.02376	2.5
161.04533	6.2
179.05553	8.0
179.27141	1.4
191.05608	5.1
193.04988	1.9
194.73502	1.3
301.76877	1.4
338.67587	1.4
371.20471	4.5
389.21796	1.8
475.12448	2.4
533.26007	69.8
534.26630	3.3
551.27081	32.5
552.26984	2.0
577.28845	7.1
593.28198	22.2
637.17957	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
58.72383	0.7
59.01377	42.2
61.98819	2.1
63.63504	0.7
69.03465	1.1
69.23886	3.0
69.24288	1.1
70.79414	0.8
71.01380	11.3
71.05019	1.1
73.02943	2.6
76.54083	0.8
78.92346	0.7
79.05517	1.0
83.01374	2.3
83.05004	2.2
85.02939	2.9
87.00896	4.9
88.98810	2.3
89.02435	6.6
93.03439	2.1
95.05022	1.6
96.96023	1.1
97.06586	2.3
99.92554	1.5
101.02461	6.2
107.05029	6.5
111.04488	0.8
113.02455	7.4
113.06101	1.5
116.92852	9.2
118.02937	1.1
119.03502	1.6
119.04991	0.9
120.05818	3.9
121.02946	2.3
123.08170	1.6
125.02392	0.7
125.09727	0.8
135.04526	3.6
137.02463	1.4
137.06122	1.2
139.04015	13.1
157.06528	1.3
159.03107	1.8
159.11729	1.1
161.04555	1.2
161.09706	16.1
161.13338	5.8
163.03999	0.9
163.11259	3.6
173.04581	1.7
178.02647	1.1
187.07603	1.0
187.11273	22.8
189.09180	11.9
189.12845	1.9
191.05617	3.2
201.04059	3.9
203.10710	2.4
205.12344	8.7
207.10188	2.4
207.13879	1.5
209.11807	20.7
221.11490	0.8
223.13347	2.8
229.12355	1.0
231.10217	1.7
247.13477	0.8
249.11264	9.2
267.12430	2.8
363.20059	1.1
523.34753	10.8
593.35004	3.0
637.32269	100.0
638.32532	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
58.72383	0.7
59.01377	42.2
61.98819	2.1
63.63504	0.7
69.03465	1.1
69.23886	3.0
69.24288	1.1
70.79414	0.8
71.01380	11.3
71.05019	1.1
73.02943	2.6
76.54083	0.8
78.92346	0.7
79.05517	1.0
83.01374	2.3
83.05004	2.2
85.02939	2.9
87.00896	4.9
88.98810	2.3
89.02435	6.6
93.03439	2.1
95.05022	1.6
96.96023	1.1
97.06586	2.3
99.92554	1.5
101.02461	6.2
107.05029	6.5
111.04488	0.8
113.02455	7.4
113.06101	1.5
116.92852	9.2
118.02937	1.1
119.03502	1.6
119.04991	0.9
120.05818	3.9
121.02946	2.3
123.08170	1.6
125.02392	0.7
125.09727	0.8
135.04526	3.6
137.02463	1.4
137.06122	1.2
139.04015	13.1
157.06528	1.3
159.03107	1.8
159.11729	1.1
161.04555	1.2
161.09706	16.1
161.13338	5.8
163.03999	0.9
163.11259	3.6
173.04581	1.7
178.02647	1.1
187.07603	1.0
187.11273	22.8
189.09180	11.9
189.12845	1.9
191.05617	3.2
201.04059	3.9
203.10710	2.4
205.12344	8.7
207.10188	2.4
207.13879	1.5
209.11807	20.7
221.11490	0.8
223.13347	2.8
229.12355	1.0
231.10217	1.7
247.13477	0.8
249.11264	9.2
267.12430	2.8
363.20059	1.1
523.34753	10.8
593.35004	3.0
637.32269	100.0
638.32532	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	637.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03440	5.6
59.01378	44.4
61.98831	4.7
69.03455	5.3
70.89062	0.8
71.01379	24.3
73.02947	8.1
79.22822	0.8
82.02881	0.7
82.95401	1.1
83.01397	3.9
83.05036	1.2
84.04200	0.6
85.02951	11.9
85.06580	0.8
86.00103	0.8
87.00876	3.5
88.98778	1.0
89.02435	9.8
93.03457	3.4
95.01379	2.3
95.05021	0.6
96.80148	0.8
96.96017	2.1
97.02931	1.8
97.06578	1.5
97.51153	0.7
99.00890	2.2
101.02441	17.4
101.19283	0.8
107.05021	2.6
108.02186	0.7
109.02976	1.4
111.00896	3.1
111.04514	1.6
113.02443	22.5
116.92844	6.9
117.85885	0.7
119.03502	3.3
120.05807	1.3
120.53297	0.7
121.02977	0.8
125.02435	1.0
133.02916	0.9
135.04518	3.9
137.02457	2.2
139.04001	4.7
143.03516	0.8
153.01939	1.2
159.02982	2.1
161.02432	0.9
161.04604	2.1
161.09738	5.3
161.13387	2.5
173.03250	0.8
173.04478	3.8
179.03506	1.5
179.05690	1.3
185.15427	1.0
187.11302	7.5
189.09221	3.4
191.05600	5.1
203.10791	1.6
203.14484	1.6
205.12302	5.2
209.11847	3.5
223.13477	1.1
229.12381	1.6
229.18062	1.9
247.13388	1.3
249.11290	2.6
267.12442	1.6
271.10001	0.9
271.13254	1.6
281.10080	0.8
309.13672	1.1
341.23276	1.6
345.26413	1.3
359.27829	1.8
361.29581	5.3
411.16562	2.3
471.18732	2.3
475.29269	1.3
522.33447	1.9
523.34839	100.0
524.35260	7.4
601.33807	1.2
602.34454	1.1
637.32037	35.4
638.32611	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03448	2.8
59.01377	41.5
61.98825	3.0
69.03456	4.1
71.01379	21.9
72.99302	0.7
73.02938	5.1
78.95890	3.2
83.01379	2.8
85.02947	8.3
87.00875	1.6
87.04507	0.7
87.24762	0.4
88.98811	0.9
89.02440	12.0
93.03458	1.3
95.01384	1.6
96.96016	1.0
97.02942	0.7
97.06598	0.5
99.00880	1.4
101.01789	0.9
101.02440	14.4
101.03104	0.9
102.02763	0.5
108.02177	0.7
109.02952	1.1
111.00870	1.8
113.02448	21.3
115.03982	0.4
116.92873	0.9
119.03485	4.2
123.08148	0.8
125.02408	0.4
130.24783	0.4
131.18318	0.5
135.04492	1.8
137.02438	0.4
139.04034	2.4
140.07172	1.0
152.01183	0.5
153.01924	1.0
159.03014	1.2
161.04520	1.7
161.09683	0.8
171.13892	0.9
173.04500	1.4
179.03548	0.6
179.05618	1.1
187.11246	0.9
187.13425	0.5
191.05609	2.0
201.14940	0.6
203.03557	0.7
209.11818	2.6
209.97771	0.5
217.14424	0.8
218.05884	1.3
229.36401	0.5
233.08122	0.5
284.21759	0.6
315.25275	0.5
337.20297	0.5
352.07883	0.7
359.27991	1.6
361.29538	7.3
415.13672	1.0
523.34827	100.0
524.35236	7.7
573.57477	0.5
637.39136	6.1
638.27460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
71.01379	12.4
78.01107	0.7
83.01379	0.4
85.02930	0.3
87.00899	0.3
89.00317	1.5
89.91516	0.3
91.01888	0.6
96.95998	0.9
98.01175	0.3
106.00615	1.9
111.00845	0.4
115.00368	6.8
121.02948	29.1
122.03290	1.0
123.00876	1.6
127.00310	0.4
134.03735	1.5
135.04044	0.6
136.98781	0.3
138.03226	2.5
139.00356	0.5
146.06079	0.5
149.06053	0.6
150.03195	1.0
151.03482	0.3
153.05569	24.0
154.05923	0.8
165.05562	0.9
166.05872	0.6
166.99863	0.7
178.02718	0.7
179.03123	0.7
182.02193	4.1
191.05634	2.1
193.05038	3.4
194.05382	2.0
195.06618	1.1
196.06876	0.3
197.04533	100.0
198.04865	3.9
199.04988	0.9
313.05652	6.5
314.05881	0.5
381.50180	0.3
447.06744	0.6
568.72809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
58.00581	0.6
59.01386	5.9
61.98829	3.1
66.63441	0.5
69.03456	0.9
69.11724	2.8
71.01369	3.5
73.02939	2.5
81.03458	1.0
83.01391	0.5
83.05021	3.1
85.02949	1.5
85.06583	0.6
86.73023	0.6
90.39507	0.5
93.03448	0.7
95.05030	1.2
97.06601	0.8
101.02422	1.3
109.06578	0.9
111.04528	3.0
111.08167	1.4
113.02434	1.4
113.06069	1.3
115.04012	4.8
116.92857	0.7
121.02949	4.5
123.04483	0.5
123.08142	1.0
125.02448	1.3
127.07649	1.8
129.05576	5.3
131.03757	1.8
133.10292	0.7
137.02408	0.7
137.09695	0.7
141.09186	1.0
144.04535	7.9
145.05124	1.7
146.06117	100.0
147.06499	2.9
151.07664	1.1
155.07156	1.2
161.13393	0.9
169.08676	1.0
179.07121	0.6
190.05096	6.9
191.05528	1.8
191.07053	0.6
203.14508	0.5
205.12335	1.5
207.33498	0.6
223.13348	1.9
227.07179	0.6
241.14432	1.5
243.02962	0.6
267.12338	2.9
285.13412	13.6
286.13605	0.7
303.14514	7.9
304.14902	0.6
309.13449	4.5
327.14465	1.8
352.10330	3.0
362.87964	0.5
447.18674	3.8
575.11890	3.3
576.12512	0.6
592.88574	0.5
594.25342	2.7
620.23627	2.9
638.24493	67.3
639.25079	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	638.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76762	0.3
52.07165	0.4
59.01163	0.3
59.01379	3.8
61.88187	0.4
66.25800	0.4
69.03454	0.8
71.01388	2.3
71.05010	0.6
73.02952	1.4
81.03490	0.5
81.95709	0.5
83.05017	2.3
85.02960	0.8
85.06597	1.1
89.02416	0.5
95.01421	0.4
95.05029	0.5
97.02940	0.6
97.06559	0.6
98.22606	1.2
101.02465	0.9
101.06075	1.1
103.24882	0.4
107.04974	0.5
111.04524	2.4
111.08160	0.6
113.02435	0.8
113.06073	1.7
115.03985	1.2
115.07641	0.8
118.70647	0.4
121.06595	0.9
123.04527	0.9
123.08155	1.4
124.37786	0.4
125.06097	2.6
129.05605	1.0
131.03787	2.1
139.07675	1.1
141.05579	1.1
144.04538	8.1
145.05087	0.9
146.06111	100.0
147.06473	2.1
149.06078	0.7
155.07170	0.7
157.08653	0.5
159.06599	1.3
161.13362	0.6
167.07133	2.5
183.06717	0.6
188.07103	0.6
190.05103	6.7
191.05536	0.8
205.12326	0.8
207.75128	0.4
223.13469	0.9
229.12271	0.6
241.14406	1.6
249.23656	0.4
259.15509	1.3
265.14374	0.9
267.12335	1.9
285.13437	12.2
299.14951	1.4
303.14471	11.6
308.11349	0.9
309.13412	9.3
319.65045	0.4
327.14355	1.5
352.10431	3.7
361.16614	0.9
362.16830	1.5
447.18738	3.6
594.25494	3.5
620.23401	0.6
638.24493	63.1
639.24829	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	638.281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82379	0.5
58.02972	11.3
59.01380	6.7
69.19894	3.0
70.02974	5.5
71.01370	2.2
72.00909	2.3
73.02934	1.2
82.06615	0.5
85.02944	1.0
89.02444	1.6
91.05534	7.3
93.03459	1.2
96.96004	2.2
99.92567	1.2
100.92599	0.6
101.02425	2.2
102.73218	0.6
104.14804	0.6
113.02442	2.4
116.92867	6.6
117.92859	3.0
125.06088	2.2
147.04520	18.3
161.04506	0.7
164.07159	53.2
165.07466	1.2
186.65108	0.6
191.05615	2.9
206.08214	100.0
207.08578	3.2
250.07135	1.0
257.45422	0.6
478.11035	0.6
480.18808	0.9
534.25916	0.9
546.88477	0.6
578.29449	0.6
579.30383	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	638.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69865	0.3
59.01376	0.7
61.98829	100.0
67.38197	0.4
69.36712	0.4
71.01419	0.5
71.43738	0.4
73.95219	0.4
80.23073	0.4
82.42543	0.3
105.84837	0.4
162.83922	0.8
164.33487	0.4
209.11792	0.7
232.59990	0.5
275.02359	0.4
295.13196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62846	0.7
59.01378	17.3
61.98824	3.1
70.64342	1.1
71.01350	0.8
101.02460	1.1
108.01454	1.2
108.02172	19.6
113.02433	1.0
122.46867	0.8
123.04501	10.5
139.43445	0.8
146.06119	6.3
152.01149	47.1
153.01463	0.9
167.03488	100.0
167.76825	0.7
168.03793	1.2
179.10780	2.0
180.43604	0.8
190.05132	1.1
191.05595	4.4
203.08319	0.9
223.09573	1.0
289.10953	0.8
307.11642	1.0
349.18561	0.7
367.13852	1.0
405.40613	0.8
491.19247	10.6
535.18073	2.4
595.20270	3.4
640.26471	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	639.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
59.50209	0.3
67.68288	0.3
71.01387	1.8
71.41565	0.4
73.02961	0.9
77.87106	0.3
78.91299	0.3
85.02961	0.9
89.02461	0.4
98.21637	0.3
101.02451	1.3
113.02475	1.3
118.66102	0.4
120.99644	1.2
149.06026	0.5
151.03992	0.5
152.04817	0.4
161.04555	4.9
164.08438	9.3
173.04515	0.6
191.05574	0.6
218.66281	0.4
226.62637	0.4
237.57396	0.3
255.13908	100.0
256.14218	4.6
273.11298	2.5
417.19177	15.9
418.19519	1.1
477.17606	0.5
488.86398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03429	2.1
59.01378	84.5
61.98827	30.1
66.75272	1.5
71.01014	2.9
71.01384	41.3
72.99311	1.9
73.02944	11.9
75.00861	2.9
83.01370	5.3
85.02948	18.3
87.00866	6.4
87.04475	1.4
88.98793	8.8
89.02451	26.0
93.03454	6.5
95.01380	3.9
96.96004	2.9
97.02936	1.9
99.00884	4.1
101.02442	26.7
103.00375	7.7
103.01485	11.1
109.02922	2.2
111.00883	2.3
113.02451	20.7
116.92863	3.6
117.49361	1.4
119.03490	9.7
125.02455	2.5
131.03496	1.4
135.04472	2.8
137.02483	4.7
139.03954	3.7
143.03563	2.2
147.04462	1.6
150.51086	1.6
153.01956	2.1
159.02980	2.0
161.04546	7.7
163.04024	1.8
173.04533	5.8
179.05585	2.5
191.04094	2.6
191.05624	18.3
273.11185	2.3
284.03125	2.1
285.03918	1.7
417.24741	8.9
465.26511	1.8
525.29089	14.0
535.31683	8.2
538.50476	1.9
579.30164	100.0
580.30450	6.2
639.35638	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03429	2.1
59.01378	84.5
61.98827	30.1
66.75272	1.5
71.01014	2.9
71.01384	41.3
72.99311	1.9
73.02944	11.9
75.00861	2.9
83.01370	5.3
85.02948	18.3
87.00866	6.4
87.04475	1.4
88.98793	8.8
89.02451	26.0
93.03454	6.5
95.01380	3.9
96.96004	2.9
97.02936	1.9
99.00884	4.1
101.02442	26.7
103.00375	7.7
103.01485	11.1
109.02922	2.2
111.00883	2.3
113.02451	20.7
116.92863	3.6
117.49361	1.4
119.03490	9.7
125.02455	2.5
131.03496	1.4
135.04472	2.8
137.02483	4.7
139.03954	3.7
143.03563	2.2
147.04462	1.6
150.51086	1.6
153.01956	2.1
159.02980	2.0
161.04546	7.7
163.04024	1.8
173.04533	5.8
179.05585	2.5
191.04094	2.6
191.05624	18.3
273.11185	2.3
284.03125	2.1
285.03918	1.7
417.24741	8.9
465.26511	1.8
525.29089	14.0
535.31683	8.2
538.50476	1.9
579.30164	100.0
580.30450	6.2
639.35638	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	640.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94012	1.5
56.27896	1.5
57.57986	1.9
59.01377	29.7
61.98832	42.7
65.39492	1.7
69.72954	6.8
71.01386	8.2
73.02946	2.4
74.02451	1.7
76.13901	1.8
85.02953	2.7
87.00879	3.2
88.98803	3.7
89.02410	4.4
93.03439	5.4
96.95995	2.6
98.22586	2.3
99.00920	2.1
101.02431	6.6
108.02171	5.6
109.02992	3.0
113.02454	5.4
116.92899	4.5
117.92871	2.5
119.03528	2.2
121.02958	52.1
123.04517	8.3
135.04518	3.6
136.07657	3.7
137.02419	3.0
138.01982	3.3
138.05592	4.9
146.59578	1.6
150.03220	2.7
151.03999	3.2
152.01141	4.8
153.01643	2.3
153.05542	6.6
154.05930	2.3
161.02394	6.9
161.04579	4.1
162.02803	3.0
165.05565	4.5
166.05913	2.6
173.04575	2.5
177.01909	2.2
179.03423	2.3
179.32893	2.9
182.02122	3.4
191.05565	5.4
197.04538	5.5
207.06615	4.0
210.48987	1.9
258.08881	4.5
272.10526	52.8
273.11307	50.2
275.09344	3.4
297.11783	1.9
315.12506	3.6
355.19568	1.8
433.14847	2.1
435.16580	100.0
436.16843	5.2
437.14499	3.5
536.30981	4.5
580.30774	3.7
640.18732	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	640.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
59.01377	100.0
59.85924	0.3
60.01719	0.8
65.07626	0.3
69.71169	1.1
71.01387	3.7
73.02964	0.9
83.01414	0.5
85.02929	1.6
87.00875	0.3
89.02433	1.7
98.21825	0.4
100.90868	0.4
101.02450	3.1
109.46371	0.3
113.02480	1.4
119.03529	1.0
124.74922	0.3
125.02427	0.4
138.51826	0.3
161.04587	1.2
220.03116	0.3
434.18140	0.4
436.20880	0.4
442.19077	0.4
452.19162	0.7
512.20947	0.4
518.21002	0.4
523.22028	0.6
530.20386	0.4
536.21014	2.4
562.23322	1.4
566.21967	0.6
580.23969	23.1
581.24512	2.0
640.26642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11480	0.4
50.95991	0.4
58.02968	0.8
59.01378	100.0
60.01706	0.5
61.98838	1.1
69.39668	1.7
70.99500	0.5
71.01365	3.8
73.02940	0.8
85.02960	1.7
89.02458	2.4
95.01389	0.5
96.96014	0.7
99.00904	1.1
101.02465	1.7
113.02469	1.7
119.03526	0.6
121.02976	0.4
123.00925	1.3
135.04524	0.6
140.01143	0.5
147.04535	1.1
149.02443	0.9
151.04068	1.0
155.03554	0.5
158.04700	0.5
161.04581	1.1
164.07112	2.9
165.05484	0.8
179.05655	0.9
191.05653	0.8
206.08229	4.7
207.08578	1.0
291.16483	0.5
388.17639	15.4
389.18192	1.0
478.20450	0.9
530.20721	0.7
544.21863	0.5
548.21802	1.6
562.23041	12.0
562.31653	0.8
563.23480	1.1
566.22949	1.6
580.23981	8.3
580.32349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01547	0.7
59.01374	7.4
60.46902	0.8
61.98826	4.3
71.01390	1.4
73.02941	1.5
83.05052	0.7
85.02956	2.1
90.21439	0.6
97.02957	1.3
101.02412	1.3
108.93364	0.6
109.02924	0.8
113.02442	0.9
115.04017	8.1
125.02439	0.8
125.09717	1.4
131.03725	1.6
144.04558	5.9
146.06114	100.0
147.06395	1.9
167.03444	1.2
171.10242	1.8
190.05074	9.9
191.05615	2.2
201.11334	6.8
209.11810	3.0
215.12877	0.8
225.14957	2.7
243.15987	1.4
269.13892	2.2
287.14972	13.9
301.07214	0.8
303.08484	0.8
305.16037	1.2
308.11023	0.7
311.14975	2.8
329.15857	1.1
352.10388	1.0
431.18976	1.7
449.20099	1.6
622.24957	5.8
640.26031	51.3
641.26367	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	640.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31949	0.6
56.96006	0.6
59.01370	3.1
61.98825	5.1
62.79231	0.6
66.32289	0.8
69.03471	0.8
71.01370	1.4
71.05013	1.0
73.02950	2.4
83.05013	2.9
85.02941	1.3
87.04519	0.7
96.96016	0.8
97.02928	0.8
97.06561	0.9
101.02462	1.1
101.06092	1.1
103.24947	0.7
109.02962	0.6
109.06506	0.6
111.04495	1.2
113.02428	1.1
115.07695	0.9
123.04504	0.6
123.08168	3.0
125.02448	1.9
125.06089	2.0
131.03757	2.4
136.63757	0.6
137.02449	1.3
139.07649	2.3
141.09201	4.2
143.07137	8.9
144.04546	7.8
145.05243	0.9
146.06108	100.0
147.06438	2.4
166.67456	0.7
167.07236	0.7
183.10246	1.2
183.75281	0.6
190.05081	8.2
191.05589	2.1
207.13910	1.0
225.14980	1.8
243.15971	5.7
249.14886	0.8
251.12872	1.3
267.16055	1.2
269.13895	8.9
287.14978	15.6
288.15244	0.6
301.16568	1.8
305.16006	11.7
311.11652	1.0
311.14999	9.4
329.15952	1.0
352.10370	1.5
363.23709	0.9
364.24088	0.9
449.20099	4.4
526.29523	1.1
596.27307	3.5
622.25140	1.3
640.26007	83.4
641.26312	6.6
645.68890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
60.60573	0.3
61.98828	100.0
64.33299	0.3
68.00991	0.3
69.77484	0.3
69.98129	0.3
69.98453	0.7
71.01396	0.4
80.40617	0.3
93.03462	4.2
94.03796	0.3
117.03470	0.5
119.05026	12.1
121.69071	0.3
136.01646	0.4
137.02438	9.2
138.02766	1.4
145.02985	1.0
163.04010	7.1
173.04578	0.4
179.03549	0.5
179.17856	0.3
185.77583	0.3
197.12000	0.3
255.09227	0.3
385.41708	0.3
521.18384	0.8
528.59662	0.3
604.22998	1.0
641.20209	4.8
641.30725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13958	1.7
61.66354	1.5
61.98831	100.0
63.21918	1.5
71.01374	2.9
101.46032	1.7
109.12747	1.7
132.42740	1.8
185.86215	1.9
191.18423	1.9
279.23349	4.3
302.23569	1.6
347.92999	1.8
356.11929	1.7
396.73401	1.8
577.37384	5.9
640.35742	3.1
650.56744	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00311	0.6
59.01374	1.9
70.71152	1.4
71.01385	1.1
85.02936	10.6
87.00864	2.7
93.03449	4.3
97.02976	1.0
99.04530	0.8
100.29468	0.7
108.02147	1.0
109.02935	7.9
111.04510	1.8
111.67108	0.8
115.37634	0.8
121.02970	1.7
122.03724	1.3
123.04529	3.1
125.02417	0.8
127.03999	1.9
133.02940	1.1
134.03755	0.9
135.04515	1.0
137.02432	2.6
147.04509	2.6
149.02489	2.0
151.04001	1.9
161.02431	5.4
162.03200	2.4
163.00351	2.5
163.04031	1.2
165.01909	7.4
171.04523	0.9
173.06093	1.6
173.40045	1.0
174.03192	0.9
175.03963	2.9
176.01102	1.9
177.01920	8.2
187.03929	1.1
189.01921	9.6
189.05553	0.8
190.02667	6.8
191.03671	2.8
191.05600	72.3
192.05960	2.1
199.04045	1.4
201.05533	0.9
205.05118	1.3
211.03989	1.7
213.05513	1.4
214.02625	1.1
215.03523	1.0
216.00456	1.5
217.01436	7.2
217.05034	2.8
218.02200	1.6
225.05617	1.6
227.03493	1.7
227.07024	0.9
229.04942	1.7
231.02998	3.0
239.03262	0.9
240.04286	1.2
242.05927	1.0
243.02940	2.7
243.06648	1.2
253.05031	2.3
255.03024	0.9
255.06593	1.5
256.03784	1.7
259.05969	0.9
269.04596	4.2
271.06119	0.9
281.04599	2.4
283.02716	1.3
283.06348	1.2
284.03238	10.8
285.04083	4.6
287.05518	0.8
295.06241	1.4
297.04025	23.7
298.04443	1.1
299.05457	4.5
306.34293	0.9
309.04007	1.0
325.03418	1.7
327.05060	2.8
340.05988	0.9
341.06662	1.2
379.11914	0.9
405.09937	1.1
423.10776	4.6
449.08740	100.0
450.09100	5.8
467.10049	0.9
489.10638	0.9
641.15021	14.0
642.15900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
57.18752	0.5
59.01381	3.2
61.98793	0.9
69.03459	0.7
69.17925	1.1
69.18343	2.5
71.01359	0.8
72.41087	0.6
81.03460	1.3
83.01357	1.2
85.02946	11.8
87.00864	2.2
93.03455	4.6
97.02933	1.0
108.02209	1.1
109.02318	0.9
109.02959	10.0
111.04527	1.1
117.40647	0.6
121.02912	2.4
122.03689	1.9
123.00958	0.8
123.04492	2.6
125.02448	12.1
127.04003	2.3
133.02901	0.9
135.04491	1.1
137.02457	1.7
139.03955	0.7
145.03006	0.6
147.04474	2.1
149.02417	2.3
149.06078	0.8
151.04053	3.6
154.13210	0.6
159.04462	0.7
161.02446	7.2
162.03162	1.9
163.00319	2.4
163.03989	1.6
164.01109	1.8
165.01926	6.2
165.05566	0.8
167.19620	0.6
171.04530	1.0
173.02435	0.7
173.06041	1.3
174.03284	0.8
175.04033	4.1
176.01178	1.9
177.01909	8.3
179.03310	0.6
187.03969	1.3
189.01944	9.8
189.05487	0.8
190.02701	7.7
191.03680	2.5
191.05602	75.3
192.05933	0.9
199.04008	1.5
201.01869	0.8
203.03464	0.7
203.07018	0.9
205.01413	0.9
205.05086	1.3
211.03954	1.0
211.07587	0.6
213.05464	1.1
214.02606	0.7
215.03470	1.1
216.00546	1.3
217.01416	8.3
217.04956	4.4
225.05563	1.7
227.03401	1.5
227.07080	0.9
229.05020	1.1
231.02954	2.1
241.05092	2.3
243.02913	2.3
243.06609	1.3
243.12358	0.7
251.03368	0.7
253.04980	2.2
255.02968	1.3
255.06482	0.6
256.03622	1.3
259.06067	0.7
267.03094	1.0
269.04550	4.5
271.05893	0.8
277.28320	0.6
281.04535	1.8
284.03278	10.0
285.04019	2.9
286.04483	0.7
287.05478	1.7
289.07187	1.6
295.06100	0.7
295.41156	0.7
297.04016	21.6
297.07330	1.4
298.04504	1.3
299.05701	3.4
307.64325	0.6
309.04059	1.0
325.03558	1.8
327.05157	1.7
340.25208	0.6
341.07172	0.9
405.09680	1.0
423.10904	4.9
449.08743	100.0
450.09009	6.9
456.80173	0.6
467.09909	1.5
489.10730	1.4
641.15143	17.0
642.15399	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	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49091	0.6
59.01367	2.5
61.29404	0.7
65.99532	0.6
67.01894	1.1
68.93266	0.8
69.35960	1.3
69.36341	1.6
71.01385	1.3
73.02936	0.8
83.01372	3.7
85.02948	13.1
87.00876	4.0
93.03454	9.5
95.01369	0.9
105.03419	1.4
109.02953	4.6
111.04527	1.8
121.02965	1.5
121.29408	0.6
123.00849	0.8
123.04512	4.5
125.41069	0.6
127.03992	3.8
133.02966	6.8
135.04488	3.1
139.03906	0.7
143.04970	0.8
145.02940	0.8
147.04475	0.8
149.02452	1.0
150.03230	0.9
151.03996	1.2
153.47975	0.6
155.05017	3.2
159.04533	1.4
161.02460	1.7
161.06100	0.8
162.03091	0.7
163.00363	2.6
163.01651	0.6
163.04079	0.9
171.03058	0.9
171.04480	1.6
173.02420	6.1
173.04515	5.1
174.03206	7.8
175.03989	9.8
177.01982	3.4
183.04510	0.8
185.06036	1.1
187.03992	2.8
188.51575	0.7
189.05576	1.2
191.05603	100.0
192.05928	2.1
196.05180	1.2
197.06084	1.3
198.03169	2.7
199.03995	20.2
201.01892	3.6
201.05492	1.0
205.05045	2.5
209.06067	4.9
211.03983	5.8
212.04762	1.7
213.05493	3.4
215.03468	3.0
215.05605	4.1
216.03624	0.8
217.05087	2.2
224.04808	1.1
225.05475	5.5
226.06175	0.8
227.03520	2.2
229.05005	3.7
231.02965	1.3
231.06349	0.7
235.03992	2.0
237.05606	0.9
239.03520	1.9
240.04387	1.5
241.05066	2.6
243.02957	18.7
243.06743	0.8
251.03438	3.7
253.05048	12.6
254.05727	1.9
255.02745	1.0
255.06706	3.2
257.04486	0.8
273.03952	3.2
279.03000	2.8
281.04443	2.6
289.07202	1.1
297.04031	32.8
298.04395	1.4
351.07181	9.6
353.08780	3.4
363.08792	5.0
381.09775	1.4
387.08578	1.7
405.09778	16.4
406.10428	1.2
407.07727	2.0
423.10767	2.8
431.08105	1.2
449.08765	43.7
450.08975	2.7
467.09137	0.8
489.10333	2.8
641.15088	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	641.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34730	0.7
57.03445	0.7
59.01359	2.3
67.01867	1.1
71.01376	1.1
79.99140	0.6
83.01410	1.3
84.34355	0.7
84.42240	0.6
85.02453	0.8
85.02948	10.9
86.72536	0.6
87.00887	3.1
93.03459	5.5
95.01408	1.0
98.21892	2.5
99.97272	0.6
109.02956	7.5
110.26448	0.7
111.04505	1.2
121.02937	2.2
122.03729	1.1
123.00868	1.0
123.04514	3.2
125.02402	3.0
127.04003	2.5
133.02977	1.2
135.04488	1.0
137.02417	1.5
139.03964	0.7
145.02969	0.6
146.06113	3.8
146.37091	0.7
147.04616	1.0
149.02423	2.4
151.03995	1.1
155.04935	0.8
159.04497	1.4
161.02435	3.8
161.06055	1.2
162.03194	0.8
163.00398	2.4
163.04039	1.7
164.01114	1.0
165.01945	4.5
171.02910	1.1
173.02373	1.5
173.04553	2.3
174.03233	2.9
175.03978	8.9
176.01062	0.9
177.01920	5.8
178.07443	0.7
185.06110	1.6
187.04033	1.7
189.01955	5.7
189.03473	1.0
189.05525	1.1
190.02730	4.1
190.05008	1.5
191.05602	86.5
192.05943	2.4
197.06064	0.8
198.03111	0.8
199.03998	6.4
201.01936	2.1
201.05569	0.7
201.52170	0.7
203.03442	0.8
205.05003	2.0
209.06105	2.3
211.03946	3.3
212.04648	1.0
213.05562	2.6
214.02815	0.8
215.03482	2.0
217.01447	4.5
217.04997	3.5
218.02100	0.7
225.05588	3.0
227.03447	2.3
229.05002	2.4
231.02998	0.9
239.03447	1.0
240.04332	1.4
241.05077	1.9
243.02936	11.8
243.06604	0.8
244.03384	0.8
251.03455	1.4
253.05069	6.5
254.05725	0.8
255.02768	1.1
255.06625	1.2
256.03775	1.9
259.05917	0.6
269.04590	1.6
271.05899	0.8
273.03989	2.2
279.02951	0.9
281.04587	2.0
283.02664	1.3
284.03253	5.3
285.03992	1.8
287.05817	1.1
289.07132	0.8
295.06152	0.7
297.04047	23.2
297.07419	1.4
299.05746	3.6
325.03546	1.4
327.05057	1.4
352.10129	1.1
363.08740	4.7
381.09647	1.2
405.09659	2.5
407.07635	1.1
423.10870	5.3
431.07471	1.0
449.08759	100.0
450.09213	6.3
489.10168	1.0
641.15155	11.4
642.15045	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	641.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.7
59.01369	3.5
61.98830	1.4
63.73963	0.8
69.03464	1.1
69.53689	2.3
71.01378	2.3
81.03476	1.2
83.01384	2.2
83.04975	0.8
85.02942	9.7
87.00872	2.6
93.03452	5.9
95.04990	1.0
97.02962	2.2
108.02196	2.0
109.02944	14.3
111.04498	0.9
121.02927	3.2
122.03729	2.2
123.04521	11.6
125.02441	50.5
126.02790	2.4
127.03996	3.2
133.02960	1.7
134.03735	1.0
135.04517	2.1
137.02426	5.7
139.03990	1.3
143.04980	0.9
145.02989	1.0
147.04475	1.0
149.02419	3.1
150.03223	1.1
151.02832	1.7
151.04001	22.0
152.01204	1.5
152.04372	1.8
159.04601	1.8
161.02428	12.0
161.06033	1.4
162.03035	2.9
163.00366	2.6
163.04053	1.5
164.01102	2.4
165.01935	7.5
167.03517	1.6
171.04546	1.1
172.05203	0.9
173.02452	1.2
173.04573	2.1
173.06096	2.1
174.03221	2.0
175.03975	5.4
176.01117	1.9
177.01917	9.3
178.02440	1.6
179.03473	1.6
185.06061	1.0
187.03941	2.2
188.04680	0.9
189.01918	7.6
190.02682	7.6
191.05591	100.0
192.05907	1.8
197.06206	1.1
199.04010	2.8
203.03497	1.1
203.07109	2.3
205.01529	1.2
205.05061	2.1
212.04852	1.2
213.05608	1.5
214.02789	0.8
215.06929	1.0
216.00659	1.4
216.29436	0.8
217.01424	6.9
217.04916	4.3
218.02142	1.7
225.05444	1.8
225.11212	0.9
227.03453	2.5
227.07152	1.0
228.04395	0.9
231.02954	2.7
237.05612	1.0
240.04237	0.9
241.05104	2.2
243.02924	4.7
243.06544	1.3
245.04510	2.4
245.08141	2.7
247.05977	0.9
253.05037	2.0
255.03081	3.8
255.06456	1.6
256.03769	2.4
257.04443	1.4
259.05847	1.1
267.03018	1.0
269.04657	4.1
270.05026	1.1
271.06094	1.0
281.04474	3.4
282.05148	1.2
283.02444	2.4
283.05801	1.2
284.03268	10.7
285.03931	4.9
287.05652	4.6
287.08337	0.9
288.06070	0.9
289.07150	10.4
290.07510	1.9
297.03998	22.4
298.04517	1.9
299.05508	5.0
301.07108	1.3
303.08646	4.1
309.03812	1.0
325.03513	2.2
327.05133	2.5
341.06592	1.6
347.06506	1.3
405.09674	1.2
407.07629	5.7
413.08585	1.1
414.08627	1.1
423.11063	4.9
449.08734	86.7
450.09091	5.7
451.10275	1.9
467.09796	0.9
641.15186	29.0
642.15564	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58510	0.9
59.01367	1.8
60.99289	0.9
63.89404	0.9
67.01882	4.0
69.03448	1.3
69.52620	4.0
71.01362	1.7
81.03468	1.8
83.01388	2.5
85.02941	9.1
85.32191	0.8
87.00868	6.5
91.05537	1.1
93.03456	26.6
95.05019	2.0
104.33017	0.9
105.03451	5.8
107.05022	2.9
109.02968	6.4
109.58883	0.9
111.04517	5.7
121.02995	2.0
123.04504	3.7
125.02413	1.6
127.04027	1.9
133.02951	40.9
134.03267	1.4
135.04527	15.6
137.02464	2.1
146.06107	5.6
150.03191	1.5
151.03972	0.9
155.03490	1.6
155.04984	1.5
159.04448	1.2
161.02426	1.6
161.06065	1.1
163.00331	1.4
171.03040	1.2
173.02423	3.3
173.04558	18.9
174.03214	5.1
174.04578	1.2
175.03947	4.2
177.01920	15.5
179.03552	4.8
187.03914	1.6
189.05649	1.0
190.05136	1.1
191.05608	100.0
199.03990	10.2
201.01970	2.5
209.05989	2.4
211.03970	3.0
213.05563	1.5
215.03618	1.5
215.05588	20.1
215.07634	1.6
216.05835	1.0
225.05569	2.8
229.04985	1.6
239.03424	1.1
240.04103	0.9
243.02989	8.6
253.05040	6.1
255.06631	1.9
273.03970	2.1
279.02850	1.3
281.04507	1.1
289.07245	1.3
297.04025	13.5
307.08276	3.4
308.13989	0.9
312.21512	1.0
351.07190	51.0
352.10461	1.4
353.08716	4.2
363.08679	2.7
387.08801	1.0
405.09793	10.3
449.08746	19.8
450.09192	1.6
496.18103	0.9
533.40424	1.0
568.68347	1.2
641.15002	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	641.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28183	1.1
57.03433	2.1
59.01378	7.4
60.99316	1.4
67.01894	3.8
69.03428	2.3
70.31107	1.2
70.31417	2.0
71.01383	9.1
71.07140	1.1
73.02938	3.2
75.00858	2.3
80.66439	1.2
81.03437	1.4
83.01382	7.2
85.02946	17.6
85.52669	1.1
87.00880	6.6
89.02442	2.0
93.03457	20.9
95.01387	1.7
95.05000	2.1
99.00870	3.6
99.04505	1.4
101.02435	4.6
101.06076	18.3
105.03436	4.2
107.05022	1.8
109.02966	12.0
111.04517	4.9
113.02435	10.1
115.02186	1.2
121.02962	3.5
123.04508	4.7
125.02460	4.2
127.04029	2.3
133.02957	31.7
135.04526	11.2
137.02435	2.6
141.49318	1.1
144.04556	2.8
146.06120	38.7
146.36913	1.1
149.02429	1.2
150.03183	1.1
151.04021	2.0
155.05026	6.7
159.02913	1.1
161.02452	2.3
161.04546	3.9
165.01817	1.2
171.03061	1.6
171.04477	2.2
173.02423	13.4
173.04527	16.9
174.03227	11.7
175.03970	7.6
177.01900	14.3
179.03485	4.2
187.03920	2.1
189.01947	1.3
189.05551	2.6
190.05118	6.2
191.05597	100.0
192.05980	1.6
198.03181	2.0
199.03999	35.3
201.01913	1.9
201.05524	1.9
203.07019	1.3
205.05037	4.0
205.06920	1.7
209.06023	2.6
211.03978	2.0
213.05609	3.1
215.03568	2.4
215.05551	16.8
217.05090	1.5
223.79468	1.2
229.05031	3.2
237.09801	19.8
241.04980	2.2
243.02940	3.3
249.36778	1.1
253.04941	6.6
255.06558	5.8
273.04230	1.6
284.03250	3.0
285.03839	1.2
289.07202	9.4
297.04031	6.8
307.08228	1.7
351.07144	40.3
351.12857	32.4
351.17172	1.8
352.10376	10.0
353.08719	2.4
363.08636	4.8
387.08765	3.0
405.09796	34.0
406.09940	2.1
423.10742	2.6
449.08725	38.4
450.09119	2.5
467.09698	1.3
489.10385	2.6
535.51343	1.3
641.14990	17.8
642.14642	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	641.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10507	0.4
56.89097	0.4
59.01371	1.0
61.98829	54.1
62.98533	0.5
65.90025	0.4
69.04691	1.0
69.05102	2.1
71.01382	0.9
72.81596	0.4
79.95740	0.5
80.96525	0.7
82.95402	1.0
92.02679	1.3
93.03455	18.0
95.01435	0.6
96.96009	0.7
108.02178	1.1
117.03452	5.5
119.05025	100.0
120.05348	1.6
121.02936	0.7
136.01662	2.4
137.02446	37.1
138.02835	0.6
145.02951	11.9
148.59563	0.4
161.06131	0.6
162.03207	2.9
163.04007	61.6
164.04413	1.0
169.12364	0.9
173.04369	0.5
177.05627	1.0
178.63190	0.4
191.05563	0.7
197.11795	2.3
207.10396	0.8
209.11769	0.6
211.13402	1.4
225.11299	0.8
228.69649	0.5
297.11670	0.6
337.21960	0.5
340.22208	0.5
341.10178	1.8
521.18115	7.6
641.20313	37.5
641.31433	2.3
642.20947	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	641.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.8
61.98824	9.6
67.01839	0.9
68.15042	0.7
70.43115	1.2
73.72329	0.8
81.39002	0.6
93.03456	100.0
94.03812	1.2
94.27726	0.7
108.02184	1.0
117.03457	15.8
118.04207	0.8
119.05025	26.7
121.02930	1.8
123.04507	0.9
136.01633	3.8
137.02441	90.7
138.02831	1.1
145.02951	86.3
146.03340	0.9
162.03229	6.1
163.04002	30.8
164.04631	0.7
177.05585	1.3
191.05629	1.6
201.19188	1.0
209.11827	1.1
210.62009	0.8
211.13264	3.8
219.49937	0.9
285.07651	1.1
315.08731	1.7
366.48557	0.9
433.83859	0.9
495.16504	10.7
541.17096	0.9
641.20306	20.9
641.30267	0.8
642.20215	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	641.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
59.01376	8.6
60.33316	0.3
67.01883	0.6
68.99815	0.6
69.03448	0.4
71.01374	7.6
72.99290	1.8
73.02927	0.9
75.00465	0.7
75.00862	8.3
81.03468	0.4
83.01377	0.7
85.02941	10.6
87.00864	4.4
88.98798	2.8
89.02430	1.6
93.03447	3.1
95.01382	2.7
95.05025	0.6
99.00868	5.3
101.02428	0.5
101.06071	55.6
102.06403	0.9
103.00362	1.1
105.03471	0.6
109.02943	1.3
111.04527	0.8
113.02446	11.2
113.53668	0.4
115.00360	1.3
117.01945	1.6
121.02889	0.4
123.04503	1.0
125.02428	1.6
129.01915	0.8
129.83861	0.4
133.02946	4.2
135.04510	1.6
137.02489	0.4
146.06094	1.6
151.03983	0.7
161.02361	0.6
172.10974	0.5
173.04495	2.0
175.02446	1.0
175.03897	0.5
177.01941	2.4
179.03430	0.5
189.02037	0.5
189.03941	0.4
191.05598	9.5
199.03932	0.4
215.05563	2.3
231.05115	1.2
243.02957	0.6
249.06111	8.7
267.07062	0.7
281.04492	0.5
289.07132	1.8
291.10876	0.6
297.04016	1.2
333.11829	0.8
351.07568	4.3
351.12906	100.0
352.13367	2.5
405.09702	0.4
449.08762	4.5
641.15515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39497	0.3
59.01374	1.6
60.99303	16.2
69.08269	1.6
69.08670	0.8
71.01378	0.5
81.50743	0.3
85.02993	0.4
87.00864	2.4
88.00394	0.7
88.01202	0.5
88.04044	0.8
88.98804	100.0
89.02441	29.4
97.78169	0.3
101.02428	0.5
128.25346	0.3
136.05307	1.3
143.04599	0.4
151.07605	1.7
219.19028	0.4
225.07779	0.3
227.10754	0.8
257.11838	11.6
285.00983	0.5
419.17099	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	641.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99280	3.0
55.80679	2.7
59.01376	12.6
61.98817	5.7
68.99822	16.3
71.01377	4.3
71.64925	2.7
89.02431	8.8
93.03465	4.1
95.01389	6.0
95.20576	2.8
98.22658	9.5
101.02431	4.9
109.02984	5.1
123.00887	13.3
125.02402	9.0
135.04538	4.1
136.05309	16.1
137.02443	14.2
138.03250	24.2
139.04042	5.9
149.02400	3.1
149.06108	3.5
151.00362	7.1
151.51472	3.0
152.04774	3.4
152.44423	2.8
153.01949	9.0
153.05594	34.5
163.00334	3.7
165.01941	13.9
165.09200	22.3
166.02640	20.7
168.04276	30.0
175.00418	13.3
176.01128	25.0
177.01950	18.4
177.05524	3.4
178.02718	11.2
179.03471	4.3
180.04361	3.9
181.05057	26.8
191.03473	27.1
191.05252	4.8
192.04286	37.9
193.01430	31.0
193.05058	12.5
207.06618	43.6
208.03780	38.5
209.04398	4.0
223.06123	100.0
224.06847	26.6
387.10654	6.8
402.13049	4.3
417.15494	14.6
479.33725	50.6
641.22192	54.9
642.23187	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03436	1.0
59.01377	16.2
61.98811	0.9
69.06484	3.6
69.06892	1.4
71.01377	16.6
73.02938	3.5
78.95911	0.9
83.01396	1.9
85.02953	6.5
87.00853	2.0
89.02447	7.7
93.17318	0.7
94.63728	0.7
95.01405	1.1
97.02983	1.6
99.00860	0.9
101.02441	11.6
106.04236	16.0
113.02425	7.0
119.03482	3.0
131.03441	1.2
136.05309	2.6
138.03191	0.9
139.03998	1.0
143.03491	3.1
151.07610	3.6
152.99686	0.8
159.03020	0.8
161.04581	6.1
168.24574	0.7
172.09349	0.7
179.05577	1.7
191.05565	1.4
210.06831	0.9
221.06662	2.4
252.50835	0.7
257.11819	100.0
258.12125	3.9
263.93469	0.7
265.65918	0.8
323.09827	2.2
371.98871	0.7
419.17477	4.0
439.92352	0.7
557.54602	0.7
581.22345	43.3
582.22729	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85497	0.2
55.01867	0.4
59.01071	0.5
59.01377	10.2
60.99300	4.5
61.74859	0.2
61.98821	0.6
69.19057	1.7
69.83642	0.3
69.84138	0.3
71.01369	1.8
71.59111	0.2
73.02939	0.5
85.02941	1.1
87.00877	0.6
88.98802	25.9
89.02441	5.8
89.02940	0.5
101.02431	1.2
106.04269	0.4
113.02443	0.8
122.03730	0.6
134.01646	0.2
136.05301	9.3
136.59489	0.3
137.02481	0.3
139.04025	0.5
151.04004	1.0
151.07640	1.3
159.02960	0.3
159.33492	0.3
161.04564	4.8
183.08183	0.5
191.05638	0.6
197.09752	0.4
198.10457	0.5
200.47346	0.3
226.31938	0.3
241.08762	0.5
242.09454	0.7
242.48088	0.3
257.11823	100.0
258.12158	2.9
297.75571	0.4
299.12906	0.4
391.01208	0.3
417.05511	0.3
419.17120	20.9
420.17365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03424	0.1
59.01378	14.4
61.98841	1.2
62.46436	0.1
65.85468	0.1
69.39179	0.3
69.39580	0.2
71.01383	2.5
73.02937	0.9
73.70054	0.1
80.23674	0.1
83.01384	0.3
85.02966	1.0
89.02439	0.2
95.01366	0.2
99.00876	0.5
101.02439	1.8
106.04230	0.1
113.02451	1.3
135.04454	0.1
136.05299	9.3
143.03476	0.3
151.03996	0.3
151.07642	2.0
159.02962	0.4
160.32695	0.1
161.04558	7.1
169.06534	0.2
179.08644	0.7
181.00288	0.1
181.10233	5.3
182.10542	0.2
183.07979	0.1
223.07666	0.1
225.09233	2.5
226.09502	0.2
240.07899	0.4
241.08321	0.4
255.10275	0.6
256.10492	0.6
257.11823	100.0
258.12143	3.5
281.11865	0.2
299.12622	0.3
322.31622	0.1
419.17102	19.7
420.17450	0.8
581.22369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04377	0.3
59.01366	1.4
61.98545	0.4
61.98832	4.8
65.93652	0.3
66.06989	0.4
69.34974	1.7
84.38433	0.3
85.02956	0.3
85.21162	0.3
89.02438	0.6
93.03451	0.3
93.87407	0.3
98.21877	0.4
101.02438	0.6
107.41821	0.3
115.35471	0.4
117.46675	0.3
135.04584	0.3
136.05321	1.7
137.06114	1.6
151.03973	0.8
151.07625	2.6
152.04723	0.9
158.28902	0.4
161.02414	0.5
164.04846	0.6
165.05571	8.7
166.06364	16.6
167.06685	0.4
173.04517	0.5
180.04315	0.5
191.05641	0.6
227.10580	1.6
242.09491	2.1
255.10225	5.3
256.11041	3.2
257.11829	100.0
258.12128	3.5
273.38306	0.3
289.10797	0.5
418.16092	0.7
419.17114	63.2
420.17471	3.6
581.22815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20927	1.9
59.01115	3.5
59.01379	38.1
61.98827	21.9
68.16490	2.6
70.45246	4.4
71.01383	15.6
73.02946	4.0
80.05069	8.4
80.96504	2.2
85.02936	3.7
87.00894	4.5
89.02438	3.6
93.03461	6.6
94.06633	3.1
101.02424	3.9
104.05067	2.7
106.06605	5.8
107.03779	6.5
109.06596	4.7
113.02456	5.9
116.92912	2.4
120.04522	2.5
120.08181	4.7
122.06123	45.5
132.04593	3.6
134.06129	18.1
135.04579	2.7
136.07726	4.7
137.02528	3.3
139.03979	4.2
148.04080	4.0
152.07175	52.7
160.04002	3.8
160.06410	8.3
161.04659	3.4
161.13393	2.5
173.04588	5.9
174.05548	4.7
187.11247	7.0
190.05093	5.9
190.39119	2.2
191.05638	6.9
197.11865	6.9
205.12343	7.6
207.10231	4.2
209.11803	4.8
213.10336	34.9
223.08781	4.6
225.11397	10.7
226.11220	3.1
239.11887	22.4
241.13409	22.5
245.12880	6.1
251.11739	4.2
265.09766	2.7
279.11411	2.7
285.12442	77.4
289.37604	2.6
293.12912	8.6
295.10855	10.9
313.11942	6.1
316.14462	2.8
323.10257	11.4
325.11816	4.2
328.10843	3.2
332.17374	3.2
340.14832	2.8
343.13181	4.3
344.13846	3.3
349.18600	9.9
351.42661	2.6
355.12848	7.4
356.17715	4.4
358.15668	23.6
359.16113	3.6
370.11719	4.0
384.13403	6.0
397.13779	2.6
398.15317	2.3
400.16638	14.8
412.16666	7.9
493.22675	2.4
497.25278	3.5
509.21875	2.3
523.23535	8.1
535.23401	4.9
537.30756	3.9
547.23639	7.4
565.24561	83.6
566.24744	8.9
568.22919	2.8
577.95172	2.6
581.32843	9.0
591.22339	4.8
609.23456	100.0
610.23975	10.6
623.25220	4.8
641.26166	23.6
641.35211	7.7
642.25867	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	641.3902
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
57.03453	0.7
59.01376	2.6
61.98832	1.5
68.99818	0.8
69.03468	0.3
69.29784	0.5
69.30167	0.5
71.01375	1.2
72.79278	0.2
78.95878	0.2
85.02936	0.5
87.00884	0.2
89.02442	0.4
93.03464	0.6
94.98096	0.2
95.05048	0.2
96.96008	0.4
99.04532	0.4
101.02452	0.5
111.04533	0.6
113.02437	0.5
116.92866	0.2
121.03004	0.2
121.06590	1.0
122.03783	0.6
123.00903	0.6
123.04495	0.3
123.08159	0.4
124.01643	0.2
125.02462	0.4
127.11288	1.0
135.04538	0.8
136.05298	31.9
137.02541	0.4
137.06174	1.6
138.03217	1.3
139.03998	0.7
143.03491	0.3
147.08170	0.8
148.05371	0.5
149.06087	3.8
150.06879	2.9
151.00381	0.4
153.01947	0.5
153.05560	1.8
153.93686	0.2
160.67592	0.2
162.06877	0.8
163.07654	0.5
164.08423	2.5
165.01949	0.5
165.09201	32.2
166.02682	0.8
166.09525	0.8
168.04332	1.3
173.04564	0.4
175.00371	0.3
176.01138	1.0
177.01904	0.9
178.02667	0.5
179.03444	0.4
180.04312	0.2
181.05089	1.1
187.11307	0.4
191.03500	1.0
191.05606	1.5
192.04259	1.2
193.01398	0.8
193.04984	0.8
197.11838	0.2
200.14168	0.6
207.06630	2.0
207.10313	0.7
208.03789	1.6
209.04570	0.4
209.11775	0.5
219.13806	0.2
223.06087	5.0
224.06889	1.6
274.15820	0.3
277.18057	0.2
289.18137	0.7
292.16769	1.1
307.19150	5.1
308.19455	0.5
336.19284	1.4
386.24484	0.2
387.11063	0.3
417.15573	0.6
461.32620	1.5
464.31308	0.7
477.32098	0.6
478.33057	0.7
479.33743	100.0
480.34109	7.6
639.49341	0.2
641.22260	2.2
641.39630	2.2
642.22357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01380	1.1
69.87690	0.9
69.88054	0.7
71.01382	1.4
73.02940	0.4
74.02474	1.5
75.00888	0.6
83.04986	0.4
85.02947	2.2
87.00867	0.7
89.10361	0.3
92.19453	0.4
93.03461	1.5
95.04999	0.4
96.91731	0.3
97.02930	1.0
98.02478	0.4
98.21891	0.6
99.00864	0.5
101.06090	2.5
106.88292	0.4
109.02966	2.3
112.17841	0.3
113.02473	0.9
115.89491	0.4
116.05090	0.5
123.04530	2.5
125.02467	1.8
131.03770	1.2
133.02966	0.5
135.04401	0.5
137.02438	1.4
139.04033	0.4
144.04555	4.3
146.06116	100.0
147.06502	2.4
151.03998	1.5
159.04460	0.6
160.68355	0.4
161.04590	1.3
161.06015	0.7
164.01172	0.4
165.01930	0.5
175.03940	1.6
176.04240	0.5
179.03555	0.5
187.04085	0.5
188.04800	0.5
190.05081	17.8
191.05591	8.8
192.05988	2.2
199.04057	0.6
203.07072	1.2
203.08592	0.5
205.04984	0.8
209.06041	0.4
217.05342	0.4
223.83435	0.4
225.05420	0.4
229.05315	0.5
243.02872	1.8
244.03337	1.0
245.09474	2.4
251.03345	0.4
253.05142	0.8
254.05406	0.8
257.34711	0.5
271.90778	0.5
273.04095	0.4
289.07159	11.7
297.03995	2.4
298.04364	2.8
308.11450	2.6
351.12753	2.7
352.10287	31.7
353.10770	1.1
449.08826	2.1
450.09119	5.4
485.08157	0.4
642.15424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98830	100.0
69.04547	0.8
69.04956	0.4
74.86115	0.2
108.05161	0.2
123.69213	0.2
161.02461	0.5
191.05690	0.2
205.08745	0.4
214.62076	0.2
215.88678	0.2
223.06158	0.2
229.39168	0.2
379.35666	0.2
571.37201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15232	0.3
53.77168	0.3
61.98829	100.0
78.95909	0.8
137.07585	0.3
138.98166	0.3
141.61467	0.3
153.76660	0.3
185.69879	0.3
186.86580	0.6
208.21974	0.3
228.35025	0.3
259.89255	0.4
299.69553	0.3
448.61575	0.3
449.41937	0.3
485.99799	0.3
493.14374	0.3
570.15027	0.4
620.97913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18413	0.5
54.70237	0.6
59.01376	100.0
63.38267	0.5
65.02779	0.5
65.32517	0.5
71.65974	0.5
98.43358	0.5
116.89366	0.6
132.98201	0.7
134.97090	0.7
157.03545	3.2
158.91736	0.5
159.01466	1.9
161.43185	0.5
174.99240	23.1
175.99510	0.6
176.98088	8.9
201.02541	70.3
202.02766	1.8
213.96017	0.6
217.00281	96.7
218.00577	1.8
276.98239	1.1
340.46732	0.5
343.03702	17.9
344.03745	1.4
355.40399	0.6
359.01443	84.7
360.01602	4.2
386.59131	0.5
501.02585	8.8
523.02179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26843	0.3
57.03442	0.2
57.15585	0.2
59.01369	1.0
61.24050	0.3
67.01882	0.3
69.97783	0.6
71.01379	0.7
81.03444	0.4
83.05019	0.3
85.02946	5.7
87.00877	1.2
88.10325	0.3
93.03458	2.7
95.04991	0.3
97.21124	0.2
98.61192	0.3
109.02961	0.8
111.04507	1.0
125.02451	0.3
127.03979	1.3
133.02942	0.8
135.04518	0.8
146.06088	0.6
161.02470	1.5
171.02968	0.3
173.04561	1.1
179.03429	0.7
190.05099	0.3
191.05603	100.0
192.05968	2.3
193.05989	0.3
223.22508	0.3
232.88396	0.3
289.07166	0.9
309.76547	0.3
320.50900	0.3
351.07172	0.5
353.08749	12.7
354.09076	0.7
357.31168	0.3
511.44482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85570	0.5
61.98818	1.8
70.79190	0.6
71.01385	0.7
71.50015	0.5
79.07343	0.5
92.02671	2.9
93.03458	65.8
95.01383	2.2
108.02180	2.1
132.02144	0.5
134.39607	0.6
134.52151	0.6
136.01666	5.1
137.02441	100.0
138.02757	1.4
145.24496	0.6
151.04001	35.6
152.04361	0.8
161.02443	2.8
162.03166	2.8
173.04539	0.5
175.03996	11.4
176.04843	2.4
177.05568	5.9
178.02725	1.9
184.56239	0.5
191.05678	0.6
191.07199	1.2
193.05101	1.1
197.11859	0.6
203.92183	0.6
209.11810	1.0
269.08282	0.7
313.07080	2.0
324.67822	0.5
338.08105	0.6
353.10269	2.5
494.03214	0.6
505.15054	34.2
506.15421	0.9
526.45020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00513	0.2
59.01379	0.3
61.98829	5.8
65.03950	0.2
67.10416	0.2
70.64776	0.3
78.74350	0.2
82.00588	0.3
91.61448	0.2
92.02100	0.2
92.02681	4.5
93.03457	70.6
94.03796	0.7
95.01373	1.7
108.02172	1.9
136.01669	6.1
137.02449	100.0
138.02798	1.2
151.02840	0.3
151.04016	5.1
161.02457	1.5
162.03214	0.6
173.04672	0.2
175.04005	2.0
176.04816	1.1
177.05550	1.3
177.27017	0.2
178.02704	1.6
191.05554	0.4
191.07118	0.8
193.05089	1.3
207.86736	0.2
209.11874	0.2
246.52469	0.2
254.05853	0.3
269.08237	0.6
285.11356	0.2
294.75403	0.2
313.07193	1.5
353.10330	0.3
461.16022	0.5
505.15051	24.4
506.15173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.1
61.98824	6.1
67.01899	1.6
69.03455	2.9
69.38203	3.4
69.38611	1.9
71.01378	7.7
73.02935	1.3
81.03446	1.4
83.01381	1.4
83.24552	0.8
85.02945	3.1
87.00880	2.7
88.98772	1.1
89.02453	2.8
93.03461	11.2
96.96016	5.6
98.21935	1.4
99.08176	1.5
101.02429	3.4
111.04532	4.5
113.02459	14.7
115.00359	2.1
116.92822	1.3
121.02957	14.1
121.28559	0.8
127.64346	0.9
133.02940	1.1
134.03738	46.9
135.04486	1.4
137.02415	4.9
139.03995	2.2
139.71791	0.9
145.08742	5.2
149.06076	17.5
153.01942	1.1
155.03508	3.2
161.04552	1.5
165.41095	0.9
173.04535	22.6
178.02708	30.9
182.54654	0.9
191.05632	12.7
193.05049	100.0
194.05417	1.0
209.04617	1.3
221.10353	5.2
237.03944	1.4
265.05219	0.9
307.13937	12.0
316.33932	1.0
355.10321	32.5
367.10352	2.0
373.92294	1.0
469.13437	3.4
529.15643	21.5
576.45459	0.9
643.18561	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	643.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
60.99294	2.6
61.98825	2.3
67.01893	7.4
69.03452	3.1
71.01379	3.7
72.61424	0.6
73.02938	0.9
81.03451	1.1
83.05023	1.7
85.02947	6.6
87.00883	9.8
87.04515	2.6
88.98812	2.6
89.02488	1.5
93.03458	48.3
96.96016	8.8
96.96981	0.7
99.00874	1.0
111.04508	6.1
113.02451	3.2
116.92881	1.4
121.02963	1.0
123.72174	0.7
127.04005	2.1
129.01982	1.5
131.03542	4.6
134.02716	0.9
134.03740	16.8
135.04517	0.8
137.02458	2.0
139.04047	1.2
147.04474	1.2
149.06126	3.9
155.03519	1.1
158.01527	0.7
161.04564	1.0
173.04541	16.1
174.70728	0.7
178.02713	7.8
179.03461	1.5
191.05611	100.0
192.06059	1.2
193.05043	23.0
221.08188	1.0
224.31151	0.7
289.10818	1.7
361.06024	1.6
367.10309	13.6
379.07523	0.8
409.11682	1.6
482.54684	0.8
523.10803	1.0
529.15625	77.3
530.15900	4.2
643.18683	20.8
644.19336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
58.11741	0.5
59.01381	4.9
60.99304	3.1
61.98824	2.7
66.93005	0.5
67.01885	6.6
69.03446	2.7
69.04143	0.5
70.88612	0.5
71.01375	3.9
71.41201	0.5
73.02946	0.6
75.37059	0.5
81.03457	2.0
81.98527	0.5
83.05019	1.2
85.02944	5.3
85.13094	0.5
85.13615	0.5
87.00880	10.8
87.04502	2.4
88.98817	2.6
89.02407	0.7
93.03458	49.4
94.03795	0.5
96.96008	6.8
99.00877	1.2
99.04510	0.8
101.02468	0.8
109.02950	1.2
111.04507	7.4
113.02453	3.5
116.92865	0.6
121.02920	1.3
127.03988	1.2
127.90260	0.5
129.01920	2.0
131.03496	4.2
133.02971	0.8
134.03741	15.3
135.04521	2.3
137.02435	1.4
139.04018	3.4
149.06056	5.6
149.18864	0.5
155.03508	1.9
161.04471	0.7
173.04550	13.9
175.03976	1.5
178.02715	9.2
179.03531	1.1
187.29605	0.6
191.05606	100.0
192.05936	0.7
193.05038	23.0
197.11722	0.5
297.09824	0.6
361.06216	0.6
367.10287	13.8
368.10605	0.8
407.59094	0.5
409.11407	1.8
529.15601	78.3
530.16229	3.4
564.64093	0.6
643.18701	26.8
644.19373	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	643.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.1
61.98824	6.1
67.01899	1.6
69.03455	2.9
69.38203	3.4
69.38611	1.9
71.01378	7.7
73.02935	1.3
81.03446	1.4
83.01381	1.4
83.24552	0.8
85.02945	3.1
87.00880	2.7
88.98772	1.1
89.02453	2.8
93.03461	11.2
96.96016	5.6
98.21935	1.4
99.08176	1.5
101.02429	3.4
111.04532	4.5
113.02459	14.7
115.00359	2.1
116.92822	1.3
121.02957	14.1
121.28559	0.8
127.64346	0.9
133.02940	1.1
134.03738	46.9
135.04486	1.4
137.02415	4.9
139.03995	2.2
139.71791	0.9
145.08742	5.2
149.06076	17.5
153.01942	1.1
155.03508	3.2
161.04552	1.5
165.41095	0.9
173.04535	22.6
178.02708	30.9
182.54654	0.9
191.05632	12.7
193.05049	100.0
194.05417	1.0
209.04617	1.3
221.10353	5.2
237.03944	1.4
265.05219	0.9
307.13937	12.0
316.33932	1.0
355.10321	32.5
367.10352	2.0
373.92294	1.0
469.13437	3.4
529.15643	21.5
576.45459	0.9
643.18561	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	643.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
60.99294	2.6
61.98825	2.3
67.01893	7.4
69.03452	3.1
71.01379	3.7
72.61424	0.6
73.02938	0.9
81.03451	1.1
83.05023	1.7
85.02947	6.6
87.00883	9.8
87.04515	2.6
88.98812	2.6
89.02488	1.5
93.03458	48.3
96.96016	8.8
96.96981	0.7
99.00874	1.0
111.04508	6.1
113.02451	3.2
116.92881	1.4
121.02963	1.0
123.72174	0.7
127.04005	2.1
129.01982	1.5
131.03542	4.6
134.02716	0.9
134.03740	16.8
135.04517	0.8
137.02458	2.0
139.04047	1.2
147.04474	1.2
149.06126	3.9
155.03519	1.1
158.01527	0.7
161.04564	1.0
173.04541	16.1
174.70728	0.7
178.02713	7.8
179.03461	1.5
191.05611	100.0
192.06059	1.2
193.05043	23.0
221.08188	1.0
224.31151	0.7
289.10818	1.7
361.06024	1.6
367.10309	13.6
379.07523	0.8
409.11682	1.6
482.54684	0.8
523.10803	1.0
529.15625	77.3
530.15900	4.2
643.18683	20.8
644.19336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.1
61.98819	10.5
67.01874	1.5
69.44032	4.2
87.53829	1.1
98.22695	1.2
109.02929	3.9
119.01357	1.4
123.04501	1.4
123.40165	1.0
136.01663	1.7
137.02428	23.7
150.03185	3.1
151.00345	6.8
151.03966	3.4
152.04768	2.5
160.01663	1.3
164.01135	2.9
165.01918	100.0
165.05569	3.6
166.02699	19.1
167.03419	3.2
177.01973	1.9
179.02022	1.6
179.03479	20.7
180.04272	53.5
181.05046	20.2
182.05362	1.2
187.03885	1.1
191.05565	1.8
193.05066	1.6
194.05814	3.3
195.02901	3.8
195.06609	68.3
205.05089	3.9
210.05330	10.2
220.07428	1.6
225.07674	52.0
225.09924	2.6
355.08075	1.2
359.11298	2.0
371.11179	2.1
387.10538	3.6
387.14520	4.7
402.12961	2.8
403.13794	1.4
416.14532	1.7
417.15546	29.0
565.19604	2.5
595.21777	39.9
596.20850	1.7
643.23645	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	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98540	0.5
61.98820	2.7
67.01885	1.3
68.98567	0.6
69.27943	2.4
75.09960	0.6
88.51879	0.4
93.03474	0.7
109.02946	1.6
115.52880	0.5
123.00941	1.0
126.00264	0.5
136.01663	1.0
137.02444	17.4
137.03505	0.9
142.41745	0.5
149.02464	0.5
151.00388	2.7
151.04031	1.2
161.02376	0.5
163.04066	0.5
164.01158	1.0
165.01929	100.0
166.02718	7.6
167.03246	0.6
175.04037	0.8
177.01997	0.5
179.03502	12.3
180.04279	53.7
181.05063	8.6
194.05788	2.3
195.03032	3.5
195.06622	73.1
196.06905	1.1
205.05055	1.5
210.05339	11.4
220.07439	0.6
225.07680	73.6
226.08089	1.1
257.11765	0.8
265.24924	0.5
337.07401	1.4
387.10312	0.8
387.14740	4.5
402.13104	0.8
417.15585	10.7
433.28076	0.5
526.66443	0.5
538.96210	0.5
595.21899	2.7
643.23462	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	643.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	0.4
59.01375	4.4
61.46162	0.2
61.98826	2.1
64.83266	0.3
69.03434	0.4
69.21546	0.6
69.21941	1.2
71.01377	3.0
71.37092	0.3
73.02924	1.1
79.08013	0.3
80.02657	1.0
81.03440	1.0
82.95415	0.9
83.01371	0.7
83.05016	4.3
84.02164	0.8
85.02930	1.1
87.00863	0.7
89.02434	2.3
93.03454	0.8
95.05013	0.8
96.95999	1.6
97.06579	0.5
97.50105	0.3
101.02438	3.0
109.06560	0.3
113.02422	1.9
116.92792	0.3
119.03459	0.4
125.02425	0.3
131.03459	0.3
133.05058	0.4
135.08145	0.4
137.02348	0.3
139.03940	0.5
151.11276	0.3
153.12822	0.8
161.04558	1.2
163.11259	3.9
164.04240	0.3
165.12808	2.1
169.12329	4.7
171.10249	1.2
173.04517	0.6
179.05594	0.4
179.10706	0.4
181.12300	0.5
191.05634	1.6
191.10764	1.0
197.11816	71.7
198.12173	2.1
201.11319	1.1
207.10294	0.4
209.11815	100.0
210.12117	3.0
223.13354	1.0
227.12878	14.3
228.13242	0.7
235.08180	2.8
235.13365	0.6
253.09268	8.3
295.11209	0.3
318.56088	0.3
389.23251	0.7
415.19867	0.4
433.20670	2.4
445.20828	2.3
574.95331	0.4
583.34180	0.4
596.49261	0.3
603.07379	0.3
607.31360	0.6
625.32617	0.7
643.34515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33438	0.3
59.01372	0.7
61.98828	100.0
69.05714	2.1
70.21597	0.3
103.92084	0.3
165.01978	1.0
173.04500	0.4
179.03568	0.4
180.04335	0.5
191.05595	0.3
195.06665	0.7
225.07671	0.4
246.52780	0.3
305.57474	0.3
328.04956	0.3
434.11154	0.3
596.22272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
60.34260	0.1
61.98827	100.0
69.24064	0.3
69.24474	0.4
71.01388	0.5
73.02946	0.3
85.02942	0.2
87.00904	0.2
89.02438	0.3
96.96033	0.2
97.84519	0.1
101.02438	0.3
113.02462	0.4
139.04062	0.6
140.04361	0.2
143.03630	0.2
159.02905	0.2
161.04578	0.2
173.04584	0.3
191.05663	0.4
257.11966	0.3
258.12277	0.4
259.12338	0.2
384.63766	0.1
471.06647	0.1
583.23700	0.2
584.23462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
60.01719	0.1
61.98829	100.0
62.98523	0.1
69.61774	0.2
69.62141	0.2
71.01387	0.3
73.02970	0.1
79.47991	0.1
81.37142	0.1
89.02445	0.3
101.02444	0.1
102.98588	0.1
115.04017	0.2
134.03766	0.1
136.05309	0.4
137.05649	0.2
159.02997	0.2
160.97705	0.1
161.04562	0.3
162.04927	0.2
178.02750	0.1
181.10074	0.1
191.05725	0.2
193.05077	0.4
193.39948	0.1
217.24655	0.1
226.09343	0.1
228.63245	0.1
257.11819	2.5
258.12167	2.7
259.12375	1.6
260.12656	0.6
293.08926	0.2
391.05490	0.1
419.17166	0.2
420.17584	0.4
421.17752	0.4
422.17987	0.5
482.21252	0.2
488.46771	0.1
584.17621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90565	1.2
52.84776	1.1
57.06511	1.1
59.01371	4.2
61.98830	8.6
69.10747	5.8
71.01379	1.2
74.02480	1.4
82.95427	1.4
85.02912	1.0
107.01398	2.0
108.02211	1.4
121.02950	1.9
128.96054	1.4
137.02414	2.3
138.27435	1.0
151.00360	8.9
163.00375	1.5
178.99849	4.3
191.05450	1.9
221.97192	1.1
243.02977	7.3
245.09346	3.6
255.02988	18.4
271.02499	40.8
272.02924	2.8
300.02747	91.5
301.03442	26.2
302.03632	1.3
368.57483	1.3
462.73715	1.3
520.54492	1.2
522.87030	1.2
609.14563	100.0
610.14844	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	645.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75621	0.4
58.02974	6.3
59.01377	6.6
61.98825	1.0
69.39914	0.4
70.02979	5.3
71.01389	1.4
72.00901	1.5
72.04554	1.8
74.02473	34.6
77.67248	0.4
78.03951	0.3
85.02959	0.5
89.02443	0.5
98.02474	7.8
101.02432	0.5
113.02486	0.6
116.03545	8.4
116.05057	12.6
116.92886	0.5
120.22478	0.3
121.60776	0.3
122.42687	0.3
127.07684	0.4
130.06630	1.3
131.07130	0.9
137.02411	0.4
140.43872	0.4
142.06618	3.0
145.02971	0.7
156.08134	0.5
159.09297	2.2
161.04565	0.5
179.05510	0.4
183.09253	0.5
186.05614	0.5
191.05663	1.1
201.10292	3.0
203.08257	34.0
204.08513	1.3
245.09299	100.0
246.09673	3.5
258.81885	0.3
269.10400	0.6
289.08194	0.8
369.11880	0.6
387.11508	0.4
450.60223	0.4
522.76349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53930	0.4
60.04720	0.5
61.98809	1.0
69.49722	2.3
71.01380	6.5
76.20958	0.5
76.27877	0.6
87.65247	0.5
93.03428	1.3
114.60699	0.5
121.41853	0.6
123.08206	0.5
125.09666	1.1
125.99333	2.2
132.05347	0.5
134.03717	1.2
135.04488	1.5
141.09140	0.9
152.00870	1.6
165.01665	5.8
173.04501	1.2
178.02678	0.5
179.03252	0.6
180.04108	0.6
193.04768	1.0
193.08430	1.4
221.08069	1.2
222.08713	96.5
223.09062	1.6
236.10263	1.0
254.07690	3.1
293.21198	1.9
311.22241	11.9
333.20465	100.0
334.20663	2.7
471.24054	2.4
534.30902	0.9
642.20361	0.6
645.29010	1.5
645.42596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.40219	0.2
61.98830	100.0
69.78764	0.6
93.03462	0.2
96.96036	0.3
121.55949	0.2
123.04639	0.2
131.12158	0.2
152.01187	0.3
163.24457	0.2
165.02045	0.2
165.10907	0.2
167.03525	0.5
191.05573	0.4
221.33972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48379	0.3
60.55257	0.2
61.98829	100.0
69.36251	1.1
96.96012	0.8
135.52316	0.3
173.04648	0.3
248.43680	0.3
302.33383	0.3
595.07208	0.3
639.23065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77687	1.0
51.00533	1.1
55.02276	1.1
59.01376	22.4
61.98828	3.6
69.73404	3.3
71.01374	12.0
73.02940	2.2
80.37209	1.1
80.68643	1.0
82.02989	1.2
82.06631	2.0
82.95408	4.2
83.02504	4.6
84.00909	3.8
85.02941	4.3
87.00896	1.5
89.02437	8.0
93.03451	3.9
95.01414	1.1
95.02494	3.6
96.00909	5.8
96.95992	3.1
98.02465	1.3
98.21886	1.3
101.02441	6.6
107.05027	4.9
109.02952	1.7
109.04086	1.3
110.98129	1.1
111.01995	2.0
111.05614	5.9
112.00428	6.9
112.02766	2.4
113.02441	7.2
113.03590	1.9
117.03496	1.7
119.03503	3.9
119.04956	1.1
120.21462	1.1
122.06105	1.2
125.10766	1.6
131.03726	3.4
132.04544	2.0
133.05350	7.7
133.07698	6.4
134.06120	100.0
135.04550	1.9
135.06456	2.3
137.07199	4.6
138.05586	1.5
139.04028	5.0
139.08788	1.2
143.03497	1.6
145.02933	2.6
150.04259	1.3
150.05438	1.0
151.08783	3.1
152.07179	2.1
153.10498	1.2
154.08719	3.4
155.08260	18.7
159.03181	2.1
159.05679	3.2
160.04045	70.8
161.04446	3.5
163.05185	1.8
164.07106	1.6
165.06703	15.6
165.10358	1.3
166.08723	3.7
167.08249	4.5
169.09818	16.8
172.04053	18.1
173.04448	1.3
174.05614	3.6
179.05609	2.5
186.05602	3.3
189.06700	17.0
191.05608	4.0
191.08263	17.7
195.03369	1.1
203.08266	13.3
205.09891	5.1
208.07246	3.2
209.05721	1.1
209.09320	1.6
217.06178	9.9
222.25089	1.1
229.06142	1.4
258.15967	1.4
273.07617	1.5
277.17355	1.1
286.08322	3.0
286.15662	3.5
309.11975	2.0
310.12109	1.4
330.14572	73.9
331.14871	2.3
340.16650	2.1
341.15027	3.0
343.14014	15.7
356.16214	1.6
382.14041	4.3
384.15607	13.3
399.16840	8.9
453.21408	2.4
496.21991	24.4
497.22418	2.0
512.21313	2.0
533.26471	5.2
540.20972	23.4
541.21307	1.9
541.61407	1.1
543.27820	2.0
618.24677	1.3
646.25134	93.9
647.25397	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	646.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
58.96760	1.4
59.01377	34.4
61.98826	9.8
69.03425	2.4
69.72821	1.4
71.01367	10.3
72.76453	1.6
73.02932	3.4
81.03436	1.9
82.01727	9.6
82.02975	5.8
82.06629	2.2
83.01373	3.0
83.02518	2.6
84.04527	7.0
85.02949	5.0
87.04510	1.7
89.02433	10.8
91.05514	1.7
93.03470	7.0
94.02966	5.2
95.01373	2.6
95.05006	2.0
96.00914	15.5
96.04567	7.5
96.95991	4.4
98.01183	2.4
98.02466	5.8
98.21869	3.8
99.00912	1.5
101.02429	8.9
107.05035	2.5
108.04556	1.6
110.06101	2.4
111.02020	9.9
112.00380	3.8
112.04049	2.4
113.02417	9.9
113.03555	3.8
116.05035	4.9
117.03448	1.4
118.06607	1.9
118.47032	1.4
119.02532	1.8
119.03459	4.5
119.05042	1.5
120.04545	6.5
121.02950	2.4
123.01951	4.2
123.03266	4.5
124.02813	1.8
125.02473	1.6
127.05061	1.7
127.08765	2.1
129.10333	4.9
131.03746	5.1
132.04572	10.4
133.05334	31.5
134.06117	40.5
136.04054	15.0
137.03503	1.7
137.07199	5.5
137.66591	1.4
138.05603	33.7
139.03979	10.6
139.05113	9.5
139.08772	2.3
140.04396	2.6
146.06079	7.7
147.04527	2.7
155.08260	100.0
160.04054	13.3
161.04544	2.7
163.01459	2.4
163.04967	1.7
164.03529	20.3
165.10338	3.9
166.08684	3.1
167.08221	1.5
173.04608	2.8
173.07146	11.3
178.05106	21.8
179.04541	3.3
179.08273	4.4
180.05379	2.7
180.07793	3.9
181.06181	77.5
182.06453	1.6
188.05890	3.1
189.06670	10.4
189.09250	4.9
190.09457	2.2
191.05609	5.5
191.08244	2.1
191.11861	2.8
192.06006	1.7
207.04117	10.2
208.09007	2.5
209.09444	3.1
224.06760	35.8
226.12036	2.8
233.12904	6.3
256.07349	2.3
264.10300	52.3
265.10571	5.3
276.13416	7.7
277.11841	2.1
279.11221	3.0
281.12949	20.1
294.14703	2.2
307.10849	4.0
309.12036	2.1
309.56717	1.6
311.12592	2.2
313.14389	6.6
320.12552	22.1
325.11932	12.6
355.16574	2.4
376.20184	4.5
394.21255	4.2
402.18332	2.3
420.19269	33.1
421.19144	2.0
423.20502	7.1
464.18176	6.7
467.19348	10.7
474.20047	4.7
490.23508	6.6
491.22925	5.4
505.24438	2.3
515.26788	10.5
532.27771	2.3
533.30157	10.7
534.23193	2.3
535.21735	3.6
541.24414	2.0
542.24042	2.4
543.28101	5.8
544.28528	2.3
558.25757	2.0
559.25690	4.9
561.28253	1.8
585.23230	2.3
602.25909	23.2
603.26184	2.2
646.25110	53.8
647.24988	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	647.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50480	1.0
54.73895	1.1
56.87754	1.1
57.61570	1.2
59.01372	4.3
61.98826	5.1
69.03467	3.2
71.01389	3.2
71.43176	1.2
75.29758	1.1
81.79715	1.5
82.95409	1.6
83.91778	1.2
93.03459	1.6
101.02424	2.5
113.02447	9.5
121.02945	1.8
128.03532	1.5
160.05266	2.4
168.34920	1.4
169.01125	1.2
184.41743	1.3
191.05627	3.2
223.05878	1.6
223.07774	2.1
235.07588	2.2
239.07169	3.8
249.05492	2.8
251.07111	8.9
262.06418	2.3
263.07083	5.5
264.08038	2.9
267.06607	18.0
277.05096	1.6
279.06601	17.9
281.08258	1.6
282.08920	8.8
287.09137	2.3
294.05334	6.2
294.08923	7.6
295.06116	9.3
297.11377	5.8
307.06219	2.8
308.06989	2.2
309.07660	12.1
310.08481	2.8
311.05661	1.6
321.07480	1.8
322.08423	10.7
323.05621	21.5
323.09097	2.6
326.08066	6.9
338.07928	25.3
339.09009	1.5
341.10266	60.8
342.10785	1.8
353.10281	100.0
353.81516	1.3
354.10672	4.6
371.11349	5.2
481.40564	1.5
548.73578	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	647.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33235	2.2
52.98320	2.3
56.37636	2.7
59.01360	7.8
59.67081	2.0
61.98814	7.7
67.55472	2.3
69.39279	4.8
69.39683	7.5
71.01356	3.6
80.60978	2.5
82.95415	4.5
84.68597	2.3
85.00417	3.1
87.25918	2.2
93.03451	3.0
109.00260	2.2
113.02429	7.9
114.45690	2.4
121.02975	2.3
125.02438	3.2
144.73372	2.3
145.02988	2.6
147.66138	2.9
191.05602	6.6
223.06042	5.6
224.06387	5.7
251.07039	7.3
263.07230	4.7
267.06577	15.3
279.06628	14.1
282.08884	9.9
294.05249	4.2
294.08801	5.9
295.05948	4.9
309.07675	8.4
322.08350	8.8
323.05695	15.2
323.08957	4.0
326.07983	7.3
338.07837	18.7
341.06396	4.5
341.10251	56.2
353.10260	100.0
354.10422	4.4
371.11154	4.6
445.14877	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	647.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	94.2
61.98829	15.6
69.50729	6.1
69.51126	4.9
80.38295	2.7
89.02401	3.8
96.96009	3.3
101.02458	2.7
104.91204	2.8
113.02397	3.1
169.70654	3.1
187.03925	2.9
191.05655	7.0
203.07198	3.2
233.06216	3.1
235.07652	3.4
236.57050	2.7
251.06941	7.2
261.05524	5.8
263.07077	3.8
278.09354	5.3
279.06662	27.8
294.08972	15.8
295.62827	2.9
309.11307	100.0
310.11902	2.7
314.23096	2.6
321.11237	8.2
335.22162	9.7
336.22617	13.3
339.12415	5.7
371.11313	8.0
381.13409	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	647.2113
Annotation	Caylin-2
Peak:m/z	Relative Intensity
54.80059	3.1
59.01379	7.5
61.98813	6.5
63.74196	3.4
70.34715	3.5
71.01385	4.2
82.95430	3.6
87.39019	3.0
95.10030	3.3
98.21847	7.1
127.03802	3.2
140.77052	3.5
143.50999	4.1
161.04520	3.8
192.26250	4.3
287.12915	52.5
449.18341	7.2
647.21100	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	647.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
59.51621	3.2
61.07969	3.0
62.54964	3.2
67.69081	2.7
69.79785	2.9
74.33460	2.9
79.95733	4.5
96.96004	100.0
99.82881	3.1
121.71809	3.3
123.90150	3.9
135.87297	2.9
171.93401	3.9
191.05565	6.0
233.24083	3.0
301.21680	22.4
319.22781	32.1
353.55127	3.1
399.18430	91.4
400.18793	5.8
441.19565	9.6
561.23773	17.6
603.24731	99.2
604.25275	6.6
647.23901	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93619	0.6
50.99963	0.6
55.01886	0.8
57.03455	1.1
58.00611	1.0
58.14882	0.7
59.01376	100.0
69.03458	4.8
69.18709	4.3
71.01376	65.5
72.99313	1.6
73.02948	6.1
75.00872	2.4
81.03471	2.0
83.01415	2.9
85.02941	9.0
87.00890	2.8
89.02439	91.3
95.01377	3.5
97.02937	7.0
99.00857	10.2
99.04546	1.2
101.02435	22.0
104.61952	0.7
111.00854	1.2
113.02445	13.3
115.03987	5.1
116.24590	0.8
119.03498	15.4
125.02438	30.7
127.04037	1.0
131.03502	10.6
143.03461	4.9
149.04547	16.0
149.05666	1.1
161.04582	4.4
173.04559	1.7
179.05591	21.1
191.05621	9.6
233.06638	26.7
245.12019	0.8
266.50476	0.9
287.12906	1.2
293.08771	88.0
294.09052	2.6
471.82556	0.7
614.12531	0.7
626.80322	0.8
647.25592	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	647.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
56.48245	1.3
57.03428	2.4
58.00575	1.2
59.01377	100.0
61.98816	2.4
69.03455	13.2
71.01381	58.0
72.99289	2.2
73.02938	5.2
83.01385	2.7
85.02953	14.0
87.00863	6.9
89.02440	79.6
92.00580	1.1
93.03446	3.0
95.01386	2.4
95.83717	1.1
96.95992	7.6
98.22673	3.2
101.01792	2.1
101.02446	37.2
108.02166	8.0
109.02938	5.3
111.00867	2.7
111.04511	3.0
113.02448	71.6
119.03500	38.8
123.04505	1.6
131.03506	6.0
135.04509	1.6
137.02405	1.8
139.03993	5.1
143.03499	12.1
149.04559	3.3
151.00354	2.4
152.01167	7.0
153.01935	3.4
155.03529	6.9
161.04570	13.1
173.04533	1.9
179.05612	59.3
187.11320	1.8
191.05576	7.2
205.12378	2.8
227.03302	2.2
255.02966	6.7
271.02316	8.4
284.03159	2.4
285.03931	5.5
300.02734	17.9
301.03473	8.2
379.28043	1.3
379.32889	1.3
441.24448	1.5
447.09229	2.4
463.08917	27.1
533.25830	18.1
543.28021	3.1
610.07892	1.5
611.31842	1.3
647.21423	6.1
647.30444	11.8
677.50159	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	647.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47599	0.6
55.01882	1.6
57.03446	1.0
58.00590	1.1
58.85487	0.6
59.01378	100.0
59.30912	0.7
66.45277	0.6
69.03455	13.3
69.45286	2.9
71.01379	55.2
73.02938	3.7
81.79692	0.6
83.01395	2.3
85.02941	12.6
85.03459	0.7
87.00881	2.7
89.02443	71.9
95.01401	2.9
96.96014	11.1
99.00854	0.8
101.02445	31.6
107.03527	0.9
113.02448	74.7
114.02740	0.9
119.03498	40.2
125.02464	1.1
131.03465	3.8
134.64644	0.8
138.45056	0.6
143.03497	8.9
149.04491	3.8
161.04575	11.2
161.05849	0.9
179.05606	39.0
180.06076	0.8
191.76401	0.7
204.34251	0.7
223.49893	0.7
233.15158	0.7
288.14276	0.7
353.20145	0.9
399.00308	1.4
505.10013	1.0
533.26001	78.9
534.26379	3.9
647.29150	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	647.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03442	1.0
58.00586	0.6
59.01378	53.2
61.98838	0.4
63.01942	0.2
64.80719	0.2
69.03451	3.7
69.15060	1.2
71.01379	28.4
71.28717	0.2
72.01721	0.3
72.99301	0.8
73.02939	3.7
73.32482	0.2
82.95446	0.3
83.01382	2.9
84.95120	1.0
85.00458	0.4
85.02946	8.0
87.00879	1.2
89.02441	26.4
93.03450	0.2
95.01388	2.4
96.96005	0.4
97.02972	0.2
98.00098	0.3
99.00874	1.1
101.02440	18.2
102.02795	0.3
111.00924	0.2
113.02447	21.5
114.02844	0.2
119.02645	0.5
119.03503	9.4
125.02438	0.4
129.01932	0.3
131.03528	0.9
143.03485	1.7
145.08727	0.5
148.27982	0.2
149.04555	0.6
159.02997	0.5
161.04568	4.3
179.05614	4.3
191.05643	0.7
201.11443	0.3
207.81299	0.2
209.11780	0.3
228.86844	0.2
270.37430	0.2
353.10208	0.4
371.20685	2.4
398.78790	0.2
449.13876	0.2
533.25977	100.0
534.26306	6.3
647.29126	3.7
648.29419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.18310	0.8
57.03439	1.5
58.00594	1.0
58.45245	0.9
59.01376	100.0
59.44511	0.9
69.03458	8.7
69.48121	3.8
71.01379	49.4
72.99335	1.7
73.02945	2.6
75.21215	0.9
83.01385	2.8
85.02943	11.2
87.00874	1.9
89.02440	71.5
95.01395	3.6
96.96014	2.4
99.00840	1.1
101.02437	29.3
113.02444	50.7
114.02796	1.1
119.03500	34.2
128.86319	0.9
131.03508	4.1
135.95995	0.9
143.03529	6.3
149.04559	3.5
161.04539	9.9
179.05606	33.3
190.89117	1.0
194.20021	1.0
249.10243	0.9
250.85283	1.0
262.79193	0.9
283.31244	0.9
503.18201	1.4
533.25989	72.2
534.26440	4.6
611.59241	1.1
647.29004	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	647.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03423	1.3
58.00562	0.6
58.38638	0.4
59.01379	52.5
69.03455	3.6
69.98960	0.8
69.99300	0.6
71.01382	29.4
72.99303	0.7
73.02950	3.5
82.95414	0.6
83.01366	1.9
85.02950	8.3
87.00853	1.2
89.02441	27.3
90.57956	0.5
95.01411	2.4
96.95994	1.8
97.02956	0.5
99.00888	1.1
101.02442	19.0
113.02453	23.1
119.03500	11.0
131.03476	1.3
135.04539	0.7
143.03485	1.6
159.02992	0.5
161.04547	4.9
167.62622	0.4
179.05600	6.0
191.05574	0.8
348.48215	0.5
349.08060	0.4
371.20438	2.2
470.89078	0.6
492.75412	0.5
533.25909	100.0
534.26099	4.8
543.28088	1.6
561.28833	1.0
599.98383	0.6
600.72119	0.5
647.29291	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	647.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67285	0.6
55.01875	1.7
57.03444	2.5
58.00591	1.7
59.01378	100.0
60.01723	0.5
61.98843	0.9
62.98944	0.6
69.03456	0.8
69.28935	2.0
69.29335	1.3
71.01378	47.0
72.99308	0.8
73.02941	9.7
74.66755	0.5
83.01383	3.6
83.05083	0.5
83.15255	0.5
85.02946	15.6
87.00886	2.9
89.02440	40.5
95.01377	4.0
95.03056	0.5
96.96097	0.5
97.02988	0.6
99.00914	1.8
101.02435	27.1
112.01744	0.6
113.02444	33.3
116.92834	0.6
119.03495	14.5
119.04306	0.8
125.02477	1.1
131.03555	1.9
131.04906	0.5
139.03996	0.9
143.03502	5.1
149.04556	2.5
159.03043	0.7
161.04564	11.2
164.56528	0.5
179.05592	9.5
191.05653	1.7
201.11327	6.5
205.29057	0.6
209.11775	5.5
227.12854	0.7
253.09366	1.2
371.20950	1.7
391.80231	0.6
399.23856	0.6
513.39978	0.6
533.25787	7.2
542.01788	0.7
543.28101	42.8
544.28748	2.4
561.29102	26.7
562.29535	1.1
603.29950	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65169	1.3
57.63335	1.5
59.01375	100.0
61.98808	2.5
69.69740	5.0
71.01375	47.2
72.99306	1.8
73.02936	28.4
73.03317	2.9
73.05493	1.3
82.95397	1.7
83.01366	6.3
85.02940	18.5
87.00873	2.9
89.01926	3.0
89.02441	38.1
95.01386	5.7
98.22560	2.5
99.00905	1.7
101.02438	33.9
112.59294	1.3
113.01697	3.1
113.02445	44.1
119.03506	15.2
123.96913	1.6
125.02435	2.8
131.03481	2.0
143.03474	5.3
149.04553	1.7
161.04533	14.8
177.10698	1.4
179.05592	11.0
191.05586	3.8
312.52167	1.5
338.07669	1.9
341.10199	6.0
353.10126	7.6
371.10922	1.9
409.53201	1.5
543.28101	58.6
544.28284	2.9
561.29053	46.5
562.29230	2.0
603.30249	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	647.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80127	1.1
59.01379	100.0
61.98831	4.0
69.51690	2.0
69.52097	3.5
96.96047	1.6
101.02441	1.6
103.01495	73.8
116.92902	2.2
128.87029	1.0
129.33163	1.3
139.04008	1.8
206.91489	1.1
209.11880	1.3
219.32874	1.3
364.97253	1.2
492.75418	1.2
604.36871	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	647.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55025	36.1
57.37816	38.4
61.98833	93.5
70.64336	69.4
71.00537	37.9
75.67990	38.7
93.27151	34.6
98.30997	36.9
110.77425	33.4
113.37553	39.2
148.39156	33.6
152.25221	37.8
209.11702	47.6
262.81152	36.7
292.78714	38.9
365.26971	53.3
382.51379	34.9
387.56973	42.2
451.39417	36.9
647.35925	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	649.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01850	0.2
59.01373	0.4
61.98833	0.3
69.11411	0.9
71.01380	0.4
78.95897	5.7
79.95734	3.3
85.02921	0.2
89.02457	0.2
96.96008	100.0
96.96910	8.5
116.92859	2.3
129.78917	0.2
133.02907	0.2
138.35742	0.2
156.98238	0.2
159.27173	0.2
164.04970	0.2
170.99763	0.4
173.04521	0.2
178.41321	0.2
179.06961	0.2
191.05624	0.5
198.99257	0.2
210.99382	0.2
227.10725	0.8
259.01297	0.6
265.07248	0.2
427.10693	0.3
427.58649	0.2
455.76257	0.2
487.12918	1.0
542.26117	0.2
613.34595	0.2
649.32477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82945	0.4
56.79378	0.3
70.30099	0.5
70.30425	0.5
72.00948	0.9
74.02506	0.6
76.58505	0.3
78.70144	0.3
108.97197	3.1
116.05047	3.1
123.12685	0.4
127.96732	0.5
130.06621	20.0
131.07008	0.4
142.06670	1.3
154.97745	4.0
155.23578	0.3
156.99393	1.0
157.07773	0.9
158.06215	0.3
159.09244	1.7
162.05545	0.3
200.98373	0.9
203.08310	2.0
213.03435	15.0
222.03467	2.0
223.01901	0.6
241.03004	1.3
247.44159	0.3
250.02899	0.4
259.03976	15.1
268.04022	9.9
288.06369	0.4
294.17276	0.5
314.04575	13.9
316.06223	1.3
324.18246	0.8
347.04449	1.8
354.19119	0.8
399.11313	0.4
401.12814	0.9
427.10428	0.7
445.11890	100.0
446.12189	4.8
529.08020	0.3
649.09735	0.6
649.20795	10.3
650.21130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.9
67.01859	0.4
69.03426	1.1
69.15762	0.8
69.16179	1.1
71.01366	1.4
73.02937	0.5
85.02930	0.6
89.02411	0.4
95.01384	0.4
96.96001	0.6
101.02436	0.9
107.01370	0.4
108.02167	5.3
108.02883	0.4
109.02954	4.0
111.00842	0.9
113.02449	3.5
121.02936	0.3
122.03748	0.5
123.00879	4.7
123.04512	2.4
124.01665	3.1
125.02460	0.4
134.03731	0.3
136.01668	4.4
137.02411	0.4
145.02937	0.4
146.03719	0.9
147.04521	3.6
148.05305	1.4
150.03209	1.1
151.04008	2.4
158.03706	0.3
159.04454	1.3
160.05246	0.6
161.02405	0.7
161.04601	1.3
161.05847	0.3
162.03134	0.5
162.06808	1.1
163.04070	1.7
173.02443	2.0
174.03207	2.1
175.03989	0.7
175.07639	0.3
177.05496	1.2
178.02722	0.5
179.07016	0.4
185.02428	0.5
186.03146	0.4
188.04770	5.5
189.05569	1.5
191.05553	0.5
193.05070	1.1
205.04980	0.4
275.07596	0.9
278.05737	0.3
280.07556	0.4
283.06125	1.0
294.08920	0.5
295.06146	0.8
296.24530	0.3
297.07831	0.6
298.08453	11.4
299.08804	0.7
310.08481	2.6
313.10791	45.3
314.11182	1.3
325.10803	3.3
327.08377	0.3
329.10440	0.4
343.08130	0.6
343.11868	4.7
355.12106	0.4
358.10608	4.1
373.12897	100.0
374.13245	3.2
385.13046	0.7
457.25085	0.4
535.18176	3.9
543.28149	0.3
545.28320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
55.53054	1.5
57.03434	3.2
57.81887	1.4
59.01378	100.0
65.18777	1.4
69.03442	3.4
69.05508	2.8
69.05906	9.1
71.01017	2.5
71.01380	40.1
73.02943	12.5
81.03454	3.2
82.75639	1.7
83.01386	7.2
83.05022	2.5
85.02943	18.0
87.00860	6.1
89.02440	13.6
93.03457	4.5
94.34854	1.4
95.01379	6.3
95.05022	1.9
97.06599	1.5
99.00874	4.4
101.02443	25.7
103.00368	4.4
106.04250	24.2
107.05032	85.4
108.02178	3.3
109.38674	1.6
113.02458	28.4
119.03485	4.2
121.02980	2.3
123.08170	1.9
125.02465	2.3
133.06601	1.9
139.03976	3.0
141.09230	5.6
143.03473	4.0
149.06070	1.6
151.04013	57.9
152.04367	1.6
159.03033	2.6
159.11780	3.4
161.04562	19.7
161.09662	2.0
161.13367	17.0
175.07637	8.6
177.05533	1.8
179.05576	3.4
185.66078	1.5
187.11279	44.7
189.12883	2.8
191.05522	2.2
201.11284	14.5
202.11681	9.3
203.11890	2.3
205.12321	21.2
209.11830	13.6
210.12210	8.6
227.12877	2.1
229.12346	2.5
231.13841	1.6
231.16014	3.6
249.11214	1.9
253.09236	2.8
257.17551	2.2
269.19083	26.6
277.12885	7.3
295.17029	13.2
303.14474	15.0
313.09253	2.0
313.18106	23.6
327.63998	1.5
337.17972	4.6
349.16541	10.3
355.19058	6.3
361.61142	1.5
363.20303	9.1
373.25650	1.8
379.14691	2.4
379.19153	30.4
397.20114	4.0
457.22244	6.5
501.21378	10.1
514.10822	1.7
517.29883	3.0
535.31201	54.7
545.20258	8.4
563.21234	7.9
563.29425	1.7
605.22314	18.4
606.23553	1.7
649.34119	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	649.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03435	2.2
59.01378	85.0
60.01705	0.9
69.03439	2.9
69.07249	4.8
69.07679	1.4
71.01379	33.1
73.02941	10.4
79.05510	0.9
81.03436	2.4
82.95415	1.0
83.01390	4.2
83.05014	0.9
85.02950	16.9
87.00862	2.5
89.02439	8.6
93.03453	3.8
95.01370	2.5
95.05010	1.5
97.02950	2.0
97.22457	0.9
99.00871	4.0
101.02439	21.2
103.00405	2.2
106.04244	25.3
107.05029	100.0
108.02158	2.3
109.02924	0.9
109.06515	1.1
111.00870	1.1
111.04453	0.8
113.02450	20.4
116.92803	0.9
118.65928	1.0
119.03474	2.3
119.04981	1.3
120.05775	2.1
121.06580	1.2
123.04533	2.4
123.08076	0.9
125.02415	2.1
131.03432	0.9
132.05751	1.1
133.02922	1.0
133.06599	1.6
139.04036	1.2
143.03497	2.2
147.08304	1.1
149.06067	1.6
151.04004	62.3
159.03011	1.6
159.04433	0.9
159.11765	2.8
161.04561	18.0
161.09656	2.4
161.13359	21.6
172.08937	1.6
175.07614	6.5
179.05542	2.0
185.09761	1.2
187.11270	53.3
189.09073	0.9
189.12820	3.9
191.05602	1.8
201.12982	1.1
201.14914	1.5
205.09058	0.9
205.12312	23.1
217.14330	1.0
229.12231	1.3
231.13849	2.0
253.15997	1.7
269.10333	1.1
269.19095	29.5
270.19287	1.0
276.44434	0.9
284.03207	0.9
285.04092	1.4
295.17035	10.0
311.20258	1.6
313.09195	3.7
313.18091	26.2
337.18015	5.3
349.16528	12.1
355.19147	7.5
363.20236	29.6
373.25977	1.2
379.19138	25.7
380.19238	1.0
397.20224	5.0
409.20264	1.1
412.37830	1.2
457.22232	7.1
487.19754	1.1
501.21353	9.8
535.31415	14.4
545.20251	11.8
563.21228	4.7
605.22479	20.6
649.15033	1.1
649.35168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.02966	0.9
58.98588	0.5
59.01377	24.8
67.03025	1.2
71.01379	17.4
72.00887	0.7
72.99322	0.9
73.02951	0.6
74.02476	1.6
75.00819	0.5
82.02987	1.3
83.01383	1.1
84.04550	4.1
85.02963	3.1
87.00886	1.2
89.02441	20.7
95.01411	0.7
98.02488	0.6
99.00838	0.6
99.05629	0.9
101.02443	13.6
101.07196	2.3
102.05611	4.8
107.02471	0.7
109.04078	9.5
113.02442	10.5
119.03500	6.0
124.97996	0.5
125.03545	2.8
127.05139	26.7
128.03540	14.4
131.03517	0.6
133.98123	0.5
142.03920	0.5
143.03496	2.6
145.01454	6.2
145.06187	100.0
146.03416	0.7
146.04596	13.7
146.06511	1.3
149.04628	0.7
152.09825	0.6
161.04565	2.4
168.57111	0.4
179.05600	9.7
191.05728	0.6
192.73157	0.5
215.84766	0.5
320.48862	0.5
323.09799	10.0
341.10684	1.0
456.07220	0.6
503.16171	72.0
504.16440	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	649.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.02966	0.9
58.98588	0.5
59.01377	24.8
67.03025	1.2
71.01379	17.4
72.00887	0.7
72.99322	0.9
73.02951	0.6
74.02476	1.6
75.00819	0.5
82.02987	1.3
83.01383	1.1
84.04550	4.1
85.02963	3.1
87.00886	1.2
89.02441	20.7
95.01411	0.7
98.02488	0.6
99.00838	0.6
99.05629	0.9
101.02443	13.6
101.07196	2.3
102.05611	4.8
107.02471	0.7
109.04078	9.5
113.02442	10.5
119.03500	6.0
124.97996	0.5
125.03545	2.8
127.05139	26.7
128.03540	14.4
131.03517	0.6
133.98123	0.5
142.03920	0.5
143.03496	2.6
145.01454	6.2
145.06187	100.0
146.03416	0.7
146.04596	13.7
146.06511	1.3
149.04628	0.7
152.09825	0.6
161.04565	2.4
168.57111	0.4
179.05600	9.7
191.05728	0.6
192.73157	0.5
215.84766	0.5
320.48862	0.5
323.09799	10.0
341.10684	1.0
456.07220	0.6
503.16171	72.0
504.16440	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	649.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
59.01377	100.0
61.98797	1.5
69.03442	5.7
71.01376	40.2
73.02943	5.6
74.07645	1.3
83.01385	3.3
85.02947	8.0
87.00880	4.0
89.02445	44.8
95.01346	2.3
96.96014	1.8
101.02442	24.2
107.05011	1.9
113.02451	33.6
115.03996	1.4
116.92855	1.6
119.03503	16.3
125.02395	1.7
131.03470	2.9
132.04541	2.0
133.05070	3.5
135.04562	2.3
143.03534	3.2
149.04489	1.6
151.06152	13.9
155.03436	2.0
161.04491	3.8
161.13348	10.3
175.06133	2.0
179.05615	12.8
187.11275	15.9
189.09264	1.9
191.05597	4.4
203.14374	2.4
205.12335	21.0
229.12289	2.1
247.13310	2.5
295.10370	18.8
300.02679	1.5
313.11353	53.7
314.11890	2.5
375.58694	1.4
501.23346	11.1
502.22244	1.5
520.88043	1.6
535.20050	1.5
535.27582	40.5
545.22247	14.9
563.23328	2.5
605.24530	28.5
649.30658	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	649.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12450	0.9
55.01882	1.4
57.03445	1.8
57.69279	1.0
59.01377	90.5
61.98829	3.5
69.03463	2.5
71.01377	33.4
72.99326	1.8
73.02934	6.3
82.95423	1.3
83.01389	2.3
85.02953	8.9
86.68800	1.1
87.00884	5.0
87.04533	1.5
88.98800	1.4
89.02441	38.0
92.34040	1.1
93.03457	3.2
95.01373	2.7
96.95995	1.8
97.02968	1.2
98.76068	1.0
99.00859	1.8
99.04535	1.1
101.02438	25.6
103.00381	2.8
104.22305	1.1
108.02173	1.7
109.02925	2.3
111.00892	1.1
113.02454	19.9
115.03983	2.0
116.92857	1.7
119.03493	16.5
123.00864	1.6
123.04549	1.6
125.71645	1.1
126.99425	1.1
131.03494	2.8
133.05067	4.3
135.04498	1.3
136.01678	1.9
137.02472	1.0
139.04070	3.7
139.89528	1.0
142.37848	1.0
143.03526	2.6
148.05249	1.0
148.08925	1.6
151.04092	1.4
151.06120	20.8
155.03476	1.5
161.04552	3.9
161.09802	1.5
161.13383	13.1
163.03952	1.9
175.06114	4.5
179.03467	1.1
179.05598	8.3
187.11276	15.9
188.04811	1.5
189.09160	1.6
191.05618	6.1
201.03967	1.1
203.14317	1.9
205.12328	27.9
207.10318	1.9
211.07643	4.0
217.07190	1.4
229.12314	3.0
239.10783	5.9
247.13393	3.0
254.65639	1.1
295.10349	26.2
296.10684	2.1
298.08344	3.5
313.11316	100.0
314.11563	4.3
325.10504	1.3
358.10504	1.5
373.12909	36.7
374.13263	1.6
401.16125	1.3
447.09302	1.9
501.23431	16.5
502.23236	1.2
535.18201	5.7
535.27936	8.8
545.13916	1.9
545.22327	31.6
545.30103	2.3
546.22662	1.7
563.23639	7.7
605.24432	40.6
606.24805	3.8
649.30847	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11598	0.5
52.54477	0.6
59.01364	2.0
62.31897	0.6
65.99845	6.8
66.03477	1.2
67.03016	13.6
71.01365	0.8
82.01702	1.0
84.79803	0.6
87.31236	0.7
90.79677	0.6
91.59280	0.5
92.02521	1.2
95.02528	0.8
96.28004	0.5
96.95977	0.8
104.02538	0.8
105.03325	2.0
106.04094	1.1
107.09389	0.6
108.03304	0.9
109.04088	4.5
110.02463	1.0
112.04045	100.0
113.04394	0.9
116.02560	0.6
119.02483	0.5
120.02025	2.3
120.57058	0.7
122.03657	1.6
125.02439	4.8
126.02757	0.7
132.02040	0.7
133.02753	0.6
134.03607	12.0
137.02441	1.2
144.04582	0.6
146.06117	17.8
147.06439	2.5
160.05130	1.8
161.02446	1.3
162.05537	0.8
163.12378	0.7
187.06317	1.3
190.05074	3.7
190.13452	1.2
191.05589	2.3
192.14995	1.4
197.04482	1.1
201.07866	0.7
201.11490	1.1
211.06239	0.8
213.07794	0.8
215.43271	0.7
217.10909	2.7
219.12477	1.7
225.07837	9.3
229.10974	1.4
236.17567	0.8
239.09377	2.1
245.10338	1.2
247.12022	0.8
254.11827	3.6
255.12433	2.1
256.11948	0.6
260.12720	1.9
266.14041	1.1
268.13364	1.4
268.15775	1.7
272.11539	3.4
273.13538	6.2
286.16696	7.3
294.17169	5.0
296.06000	0.7
305.23419	1.3
312.18277	65.8
313.18774	2.9
314.19766	1.5
328.17728	1.6
330.15677	1.1
330.19330	14.2
331.19635	1.7
332.21100	0.7
352.10251	4.5
353.10699	1.2
381.24002	2.6
399.25131	16.5
400.25125	0.8
425.23035	20.4
426.23248	1.1
443.24084	16.2
444.24292	0.8
469.22046	6.7
487.23090	94.0
488.23477	5.7
529.24500	3.3
574.25684	0.8
649.28345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96978	0.3
55.01875	0.9
58.00593	1.0
59.01379	65.7
60.01741	0.5
61.40273	0.3
69.03454	8.4
69.40210	0.7
69.40613	1.4
71.01381	31.3
72.99313	0.6
73.02959	1.4
83.01408	1.4
85.02946	6.5
87.00886	1.3
89.02443	42.6
95.01402	1.8
96.96046	0.8
98.00115	0.6
101.02444	17.7
109.90801	0.4
113.02451	41.6
114.02802	0.6
119.02644	0.9
119.03500	18.3
125.02354	0.4
131.03503	2.0
143.03511	3.3
145.66144	0.4
149.04587	1.4
161.04562	3.9
179.05620	10.4
181.90755	0.4
191.05592	0.5
355.21436	0.5
535.27588	100.0
536.27753	3.9
606.62976	0.4
649.30493	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	649.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76511	0.6
56.31611	0.7
57.03450	1.2
57.53235	0.6
59.01376	71.7
69.03453	11.1
69.52198	2.5
71.01379	37.2
72.99280	0.7
73.02934	1.5
83.01380	1.1
85.02954	7.6
87.00862	1.6
89.02440	39.6
92.93318	0.6
95.01383	2.5
98.00100	0.8
101.01861	0.6
101.02438	20.8
113.02444	48.4
116.71056	0.7
119.03490	18.0
131.03477	1.8
143.03513	3.9
145.21498	0.7
149.04543	1.8
161.04578	3.9
176.75490	0.6
179.05603	11.3
193.34076	0.6
214.79364	0.7
279.86682	0.7
287.57367	0.6
348.92679	0.6
385.86099	0.7
391.80405	0.7
535.27551	100.0
536.27911	7.7
649.30768	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	649.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08506	0.4
55.01876	1.1
57.03433	1.5
59.01381	21.0
69.03452	2.5
71.01380	19.9
71.01787	0.8
71.97297	0.5
73.02941	6.7
74.79692	0.4
83.01402	3.2
85.02945	9.5
87.00864	1.4
87.04480	0.6
89.02447	7.5
95.01383	1.3
97.02956	0.5
99.00879	1.9
101.02442	18.4
111.00865	1.6
113.02448	17.3
119.03494	3.0
125.02456	0.6
129.01917	0.6
141.09265	0.8
143.03465	0.9
150.28281	0.4
159.02977	1.9
161.04549	4.0
165.09270	0.6
181.12279	1.1
201.11218	0.9
201.14955	5.6
217.02481	0.5
333.15436	2.0
333.19217	1.5
357.11871	0.7
363.20221	100.0
364.20532	3.8
477.23254	2.8
517.30420	1.1
535.31219	8.4
545.23944	1.2
649.34332	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	650.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03446	0.7
58.00590	2.0
59.01379	100.0
61.98818	2.7
69.03454	1.6
69.05057	5.0
71.01381	40.7
72.99303	0.9
73.02950	2.3
83.01405	1.1
85.02944	7.2
87.00871	2.6
89.02445	58.6
93.03456	1.3
95.01405	2.6
96.96014	2.8
97.02973	2.2
101.02439	20.9
106.03637	0.7
113.02446	20.2
117.07139	1.5
119.03498	24.0
122.03754	1.2
123.04541	2.0
131.03503	2.2
136.01706	1.2
143.03514	6.0
146.03766	2.2
148.07756	1.0
149.02505	3.2
149.04578	2.8
150.03214	13.9
151.03960	1.2
161.04572	6.8
161.05907	1.4
164.04781	1.9
165.05569	20.1
173.04498	0.9
179.05655	21.4
179.07169	6.2
180.04286	1.3
191.05667	2.6
195.06616	19.1
209.13394	3.2
234.12904	0.7
248.14537	2.4
253.12425	3.3
266.15573	1.5
267.10306	0.8
278.19153	8.3
282.08994	1.5
292.16977	0.8
294.14987	0.8
296.20374	1.4
297.11377	4.3
304.16995	5.2
306.07764	1.0
307.01547	0.7
307.15961	1.1
312.09650	0.8
314.72330	0.8
322.18103	22.0
327.12485	3.8
345.13361	3.4
353.10883	0.9
357.13489	0.9
366.17081	26.1
367.17484	1.8
375.14481	9.2
403.14014	1.5
410.16080	92.9
411.16431	5.8
488.19550	1.5
546.23450	5.1
570.23737	0.9
590.22601	3.3
650.25018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23768	1.5
59.01381	100.0
61.98829	10.6
69.03460	2.6
69.34095	7.9
71.01385	30.4
73.02940	2.5
74.76305	1.4
85.02962	8.9
87.00899	1.8
89.02447	35.9
93.03437	1.9
95.01392	2.2
96.96009	4.3
97.02949	28.0
99.04511	5.2
101.02451	16.5
108.02178	3.8
109.02921	2.1
111.04472	1.5
113.02432	11.3
119.03490	16.0
120.08185	2.7
123.04526	64.5
135.04483	3.4
135.21471	1.7
143.03442	3.1
156.96861	1.6
161.04546	2.9
166.08713	2.1
170.09709	3.1
172.11314	3.7
179.05544	8.5
186.12852	2.2
224.14349	2.1
230.12053	1.9
242.08345	2.5
242.11900	3.0
268.13425	5.5
278.19144	10.7
285.14911	13.5
306.98944	1.8
310.14542	2.6
312.12491	3.0
322.18146	26.2
323.18649	2.7
348.15927	3.6
366.17087	31.7
367.17334	2.1
392.15118	2.7
410.16083	54.4
410.21570	2.6
411.16431	3.6
412.17776	1.7
494.07260	1.7
546.23279	3.3
583.46814	1.9
590.22449	52.7
591.22760	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	650.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03459	0.3
82.06612	3.5
84.08208	0.6
97.02944	0.4
105.03198	0.2
109.20886	0.2
112.04100	0.3
112.07671	0.5
114.09207	0.2
128.75198	0.3
129.10332	2.6
130.08734	27.1
131.09038	0.4
141.10260	0.7
144.89876	0.2
146.06047	0.2
147.11819	0.3
182.15482	2.3
187.79492	0.2
191.05649	0.4
199.18152	16.8
200.18488	0.4
225.16071	0.3
243.02895	1.2
243.17125	100.0
244.17464	2.6
388.21173	0.4
406.22330	7.1
406.27429	0.4
465.84790	0.2
620.20270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	1.1
68.50821	0.5
69.30402	3.0
71.01381	13.1
75.48549	0.5
85.02940	0.9
91.01886	6.8
93.03419	1.3
108.02164	5.0
111.04503	1.0
115.00375	8.3
117.03449	3.3
117.18370	0.7
123.04520	24.5
134.03738	32.9
136.09869	0.7
149.06084	3.0
152.01161	5.4
155.03566	1.1
167.03487	100.0
168.03833	2.6
173.04553	1.2
191.05605	1.3
193.05048	42.6
194.05386	1.4
223.60254	0.6
281.00238	0.6
283.04547	7.6
367.10306	22.9
368.10617	1.4
468.83499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42913	1.0
59.47327	1.0
69.77834	2.0
69.78196	2.4
70.05347	0.9
71.01382	14.6
72.99295	1.6
91.01890	5.7
94.83786	0.9
98.22578	1.6
101.56310	1.1
108.02163	5.0
115.00346	8.1
117.03484	2.8
121.02941	2.8
123.04523	22.2
133.03011	1.0
134.03737	29.5
135.98352	2.1
137.02422	2.7
149.06071	1.7
152.01161	5.3
153.05560	1.9
155.03442	2.3
167.03494	100.0
168.03857	2.3
169.89494	1.1
173.04544	2.3
181.01416	4.4
186.30600	1.0
191.05579	2.4
193.03276	2.5
193.05048	48.6
194.05374	3.2
197.04544	11.5
236.63705	1.2
283.04599	7.7
367.10272	19.8
368.10626	1.3
431.95874	1.1
651.19598	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	651.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
59.19202	0.5
60.32075	0.5
67.67189	0.5
70.47317	0.6
71.01380	15.0
75.00516	0.4
78.01117	0.5
89.00310	1.2
91.01889	0.9
93.03468	2.5
96.95985	0.6
98.22523	0.6
106.00597	2.3
109.02962	0.5
111.04491	1.2
113.02478	0.5
115.00368	8.1
119.05022	18.9
120.05367	0.5
121.02952	25.3
122.03289	1.3
123.00872	2.2
133.01448	0.6
136.98703	0.5
137.02443	2.0
138.03229	3.5
143.66826	0.4
153.05563	22.5
155.03506	1.0
163.03998	24.5
164.04323	0.5
166.99860	1.2
173.04543	11.3
181.01392	3.0
182.02211	4.1
191.05611	2.4
197.04539	100.0
198.04874	4.5
199.02509	0.6
199.05042	0.7
221.34895	0.5
246.48845	0.5
273.98691	0.5
274.30246	0.5
313.05637	7.7
337.09265	19.6
338.09470	0.7
399.06326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.1
61.98775	1.2
69.03448	1.3
69.64628	3.6
71.01378	20.4
73.02963	1.6
78.77431	1.2
80.02614	1.3
85.02953	2.3
87.00858	2.5
89.02436	5.6
89.14857	1.2
93.03447	1.6
96.96044	1.6
99.86479	1.2
101.02437	4.2
102.10458	1.2
108.02178	28.9
113.02425	6.2
113.03630	1.3
114.01952	1.6
115.00375	13.1
116.92851	4.1
119.03490	1.5
121.02929	2.0
123.04530	13.1
131.03490	2.6
131.04570	1.3
131.07126	1.4
134.03775	1.5
135.04482	1.2
136.01668	2.2
149.02425	5.4
150.03200	2.4
151.04001	5.5
152.01155	68.0
153.01724	1.9
155.03476	1.1
161.02518	1.6
164.04793	7.8
165.05576	1.9
166.02682	4.5
167.03493	100.0
168.03830	2.4
170.22441	1.3
173.04475	1.9
175.00339	10.2
176.01088	5.8
178.02759	1.6
179.05682	2.0
179.07095	2.1
181.05049	3.0
190.02716	32.4
191.03484	6.5
191.05550	3.2
193.04979	3.5
194.05568	1.3
205.05055	42.2
205.06973	2.2
206.05353	1.4
209.04471	3.1
223.06148	9.9
237.33772	1.2
241.60374	1.2
272.53983	1.3
327.12216	2.7
353.08844	13.0
357.12955	1.8
367.10327	80.1
368.10559	1.9
385.11865	1.5
535.14539	64.8
536.14661	3.7
651.24249	3.6
651.33429	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	651.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06783	0.6
58.48292	0.5
71.01379	14.5
79.95731	0.6
96.96005	1.8
109.02957	2.3
110.03274	0.6
115.00370	7.0
119.76353	0.5
121.02952	100.0
122.03319	0.9
125.02457	1.9
153.01950	2.3
154.02226	0.8
191.05595	1.4
237.04047	13.8
248.05150	0.6
267.06537	0.5
297.11414	1.1
327.12271	0.8
345.13379	1.1
347.18405	0.6
357.13284	0.9
375.14224	1.2
489.11966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06783	0.6
58.48292	0.5
71.01379	14.5
79.95731	0.6
96.96005	1.8
109.02957	2.3
110.03274	0.6
115.00370	7.0
119.76353	0.5
121.02952	100.0
122.03319	0.9
125.02457	1.9
153.01950	2.3
154.02226	0.8
191.05595	1.4
237.04047	13.8
248.05150	0.6
267.06537	0.5
297.11414	1.1
327.12271	0.8
345.13379	1.1
347.18405	0.6
357.13284	0.9
375.14224	1.2
489.11966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03437	2.3
59.01378	58.7
60.01699	1.3
61.98819	0.9
64.09762	0.6
69.03465	4.1
69.27828	2.5
69.28227	0.9
71.01380	33.4
71.05029	1.0
72.01707	1.4
72.99313	0.8
73.02942	10.6
81.03463	1.2
83.01386	4.6
83.05038	1.0
85.02950	16.6
85.06580	0.8
86.03278	0.7
87.00862	3.8
88.98817	1.9
89.02435	12.8
93.03463	2.3
95.01389	3.9
96.96002	2.3
97.02967	0.7
97.06603	1.5
98.50002	0.6
99.00881	4.2
101.02441	25.8
102.02756	1.4
108.02177	19.0
109.02953	53.7
110.03307	0.9
111.00884	1.5
111.04501	0.7
113.02444	25.4
114.02804	1.6
115.03970	0.6
116.92889	1.6
119.03507	5.0
121.02930	1.6
123.00871	1.3
123.04548	2.9
125.09715	2.3
129.01970	0.7
131.03528	1.0
135.04521	2.6
137.02420	1.3
137.26859	0.6
138.03249	1.3
139.04034	3.0
143.03514	1.2
151.04057	1.4
152.01149	21.6
153.01936	65.6
153.05557	6.5
154.02228	1.0
159.02980	2.3
160.26099	0.6
161.04568	7.3
161.13420	1.5
162.04890	1.0
163.04013	0.6
173.04552	1.3
177.01906	3.6
179.05652	1.2
179.07219	0.6
181.12350	1.5
182.02242	4.2
187.09720	1.6
187.11345	2.2
187.13260	0.8
191.05617	4.4
197.04565	8.4
201.02251	0.7
201.04115	1.0
201.11365	0.8
201.14931	7.1
202.15323	0.7
205.12323	2.6
209.11839	1.1
217.14403	0.8
257.95593	0.6
271.08368	0.8
315.07230	9.0
321.07852	0.6
331.58856	0.6
363.20230	100.0
364.20572	21.6
365.20810	7.3
375.27551	1.7
393.15201	0.7
431.26920	1.0
453.17664	2.0
477.23627	1.4
489.27203	0.9
503.19174	23.6
504.19821	1.4
535.31482	1.2
536.31683	5.3
537.32678	22.3
547.18140	8.4
565.19373	2.1
607.20313	16.2
607.29266	1.0
608.21283	0.7
633.31262	1.9
650.33575	0.6
651.31854	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	651.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03436	2.5
59.01378	48.8
59.99012	0.7
60.01729	0.7
61.67415	0.6
61.98838	1.3
69.03461	3.1
69.28156	2.9
71.01377	28.3
71.05046	0.8
72.01714	0.8
73.02946	9.8
81.03466	1.3
83.01376	4.7
85.02950	16.5
86.03301	0.7
87.00883	3.3
87.04499	1.1
88.98812	2.1
89.02444	13.0
90.02748	0.8
93.03471	1.6
93.96192	0.6
95.01388	2.4
96.96014	1.5
97.02956	1.3
97.06570	0.9
98.00092	0.9
99.00882	3.1
101.02435	24.7
102.02808	1.1
102.72723	0.6
103.00362	0.8
108.02167	16.2
109.02948	50.7
111.00890	1.8
113.02448	23.3
114.02781	1.3
115.02082	0.6
115.04025	0.8
116.92886	1.0
119.03497	3.9
121.02933	0.8
122.03784	0.6
123.00822	0.7
123.04502	4.3
125.02428	0.9
125.09695	1.8
129.01933	0.8
131.03459	0.9
135.04538	1.6
135.63152	0.5
139.04033	2.5
143.03488	1.1
147.24554	0.6
151.03973	0.9
152.01157	21.5
153.01936	60.4
153.05519	5.1
154.02301	1.3
159.03021	1.6
159.10292	0.6
161.04559	6.7
166.99841	1.2
177.01938	4.1
179.03505	1.1
179.05602	1.2
181.12350	1.3
182.02214	2.4
187.11288	1.7
191.05612	2.6
197.04530	5.8
201.04105	1.1
201.14922	6.1
205.12343	1.3
217.14526	0.7
271.08191	0.8
315.07269	8.7
319.17792	0.8
363.20224	100.0
364.20575	15.9
365.20758	6.4
368.47488	0.7
374.26389	0.6
375.14377	1.0
375.27615	2.4
453.17636	1.6
459.20392	1.1
489.26627	0.8
503.19174	23.5
504.19434	1.6
521.26331	0.6
535.31042	1.3
536.31598	4.6
537.32684	21.0
547.18121	7.9
565.19379	1.8
607.20251	15.1
607.29163	0.7
608.21045	1.2
633.31073	1.3
651.32733	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	651.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32941	0.8
59.01379	10.2
62.13224	0.9
62.40170	0.8
69.03458	4.1
69.20025	3.5
69.20435	1.5
71.01385	6.0
73.02958	0.8
74.82732	0.8
87.00890	1.1
87.04521	1.6
89.02453	3.9
93.03448	1.0
96.96017	3.3
101.02435	2.7
108.02187	0.8
109.02945	13.6
113.02447	13.9
114.38009	0.8
116.92838	2.3
119.03506	2.3
121.02968	2.3
123.00896	0.9
131.03506	3.0
135.04506	0.8
136.01663	10.4
136.07716	1.8
137.02512	1.7
138.05586	1.7
139.03992	2.9
145.02940	1.3
146.03766	1.6
147.04521	1.8
151.04018	10.2
159.03113	1.2
159.04509	1.7
160.05284	1.9
161.04659	1.4
161.05969	1.6
165.05446	0.9
165.75055	0.8
172.05307	1.1
173.04588	1.3
175.04053	4.5
176.04791	3.7
179.03362	0.9
179.05670	2.3
187.09724	1.3
189.05563	3.1
190.06355	2.1
191.05614	1.8
191.07166	4.5
201.04092	1.6
239.07121	1.7
251.07153	2.9
257.12814	1.4
267.06622	34.4
268.06870	1.5
278.05811	1.0
279.06610	7.5
281.08139	1.3
282.08954	28.8
283.09482	1.3
294.09067	4.9
296.10507	1.2
297.07922	2.9
297.11282	72.9
298.11624	3.4
309.11246	2.0
312.10052	8.9
327.12372	47.0
328.12689	2.3
330.11023	1.4
345.13431	30.8
346.13870	1.2
357.13452	10.2
375.14465	100.0
376.15030	6.5
537.19678	21.6
537.27332	1.3
538.19952	1.8
651.30127	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	651.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26354	0.1
55.01888	0.3
57.03461	0.1
59.01377	1.3
71.01384	1.1
73.02937	0.5
85.02951	0.6
85.11203	0.1
87.00883	0.2
89.02444	0.1
91.05542	0.1
95.01405	0.2
96.96030	0.3
99.00883	0.2
101.02441	0.7
109.06628	0.1
113.02428	0.5
116.92874	0.2
127.52681	0.1
129.49756	0.1
135.04536	0.2
136.05307	0.2
137.02440	0.1
137.06062	0.2
149.06055	0.2
150.06862	12.7
151.04025	0.1
151.07193	0.2
153.05614	0.1
161.04549	1.6
164.04805	0.3
165.05548	0.3
173.04654	0.1
185.09747	0.2
191.05542	0.1
193.04926	0.1
195.11627	0.1
220.77872	0.1
226.09933	0.1
226.70415	0.1
239.10721	0.2
240.11615	0.1
241.12325	100.0
242.12662	4.2
242.15202	0.1
265.12238	0.2
283.13281	0.2
306.07697	0.3
385.16541	3.0
386.16861	0.1
403.17587	6.6
404.17862	0.3
441.95822	0.1
445.18646	2.2
446.18912	0.1
476.92114	0.1
543.46948	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	651.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.9
69.03456	8.4
69.87854	3.3
71.01363	3.7
81.83542	1.1
83.97713	1.3
85.02961	2.3
91.69836	1.2
93.03472	2.4
96.96001	2.8
98.41636	1.3
101.02457	1.5
108.02203	1.6
109.02944	5.8
113.02448	30.5
113.03239	1.8
116.92828	3.9
121.02942	3.1
122.03761	7.7
125.02431	5.0
136.01649	9.6
146.03711	13.5
149.02432	27.4
150.03220	65.8
151.03996	14.7
161.02461	1.7
161.04550	1.5
161.06064	5.4
164.04813	15.0
165.05568	100.0
166.05894	2.0
179.07123	36.2
180.04320	6.4
191.05609	3.6
193.05069	2.3
195.06622	90.9
196.06979	2.0
267.06619	13.2
282.08960	13.6
283.09381	1.4
297.11276	29.2
298.11575	2.0
301.03513	3.3
302.03821	3.7
312.09970	11.4
315.12372	4.8
327.12350	40.7
328.12732	2.2
339.12378	3.4
345.13367	26.8
346.13794	1.5
357.13324	5.1
375.14441	60.2
376.14648	3.7
478.71277	1.3
537.19653	2.2
651.16760	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53330	13.6
59.01366	39.3
61.98816	45.0
63.79755	11.7
69.17879	22.2
69.18281	57.5
84.65855	14.0
85.02971	11.5
89.31390	13.4
93.03477	18.5
113.02412	20.7
137.02454	19.6
139.37534	13.3
171.10280	100.0
173.04576	18.0
184.48488	15.2
191.05585	23.2
207.10214	84.6
209.11806	17.0
225.11295	23.7
227.67476	14.2
252.41724	13.2
253.09360	14.0
297.05972	13.8
307.69290	13.8
381.82047	13.6
385.43274	14.5
446.09210	14.5
461.20212	17.4
536.15869	15.7
597.29669	20.7
613.34833	14.1
615.30164	68.5
651.29169	49.2
651.39099	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03426	1.6
59.01377	18.3
61.98843	2.4
64.46599	0.5
68.08711	0.5
69.03448	1.1
69.87521	1.5
71.01379	15.1
73.02942	5.4
75.00870	0.8
77.26101	0.5
83.01371	3.1
85.02948	8.6
86.00097	1.2
89.02434	3.5
93.03458	1.9
95.01385	1.8
99.00864	1.3
101.02443	11.3
103.01469	0.5
107.05096	1.1
109.06588	18.9
113.02442	6.8
119.03502	1.5
137.02444	0.9
139.03992	1.1
161.04546	1.2
171.10335	0.8
191.05608	1.6
209.11754	0.7
271.13382	0.6
315.26691	0.5
355.30212	0.9
373.31052	0.7
384.44907	0.5
390.45343	0.5
422.69449	0.6
427.32172	1.9
445.33203	1.4
469.54263	0.5
525.30487	0.6
607.38477	14.1
608.39111	0.9
651.37561	100.0
652.37854	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	652.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.28866	0.5
55.48653	0.6
57.03427	0.7
59.01379	59.3
63.80433	0.5
70.24563	0.5
70.24888	0.7
70.72314	0.5
71.01382	37.9
72.99323	0.8
73.02946	1.6
83.01402	2.0
85.02947	9.0
87.00876	2.7
89.02443	47.9
90.38280	0.5
95.01385	2.9
98.87746	0.5
99.00863	0.9
101.02448	22.7
101.69024	0.5
113.02455	23.5
119.03498	11.2
122.84345	0.6
125.02476	0.7
131.03510	2.5
143.03494	5.1
148.04405	7.7
149.04601	1.6
161.04573	6.2
169.16832	0.5
175.00957	0.6
179.05615	20.0
180.05843	0.6
248.81853	0.6
297.33252	0.5
309.17926	0.5
323.09842	17.8
324.10291	1.0
341.10757	2.3
387.16190	0.6
503.16187	100.0
504.16586	7.2
658.46075	0.6
674.78137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77327	1.5
55.01880	1.6
59.01380	100.0
61.42452	1.4
61.98821	7.3
67.62890	1.5
69.03429	1.7
70.67570	2.2
71.01382	34.0
71.05006	2.3
72.99312	2.0
73.02940	2.0
79.05515	1.6
80.02675	1.5
83.01379	4.2
83.05022	6.1
85.02964	7.6
86.02472	2.6
89.02446	39.2
93.03432	1.7
95.01384	2.2
95.05000	2.8
96.04530	2.3
96.96027	1.9
97.02937	12.3
98.02483	10.0
98.06075	3.9
99.04529	4.5
101.02435	17.9
108.02165	6.7
108.04558	6.1
109.02978	2.8
113.02444	13.3
116.92898	2.4
118.06609	3.1
119.03506	19.2
120.08186	2.8
122.03732	1.9
123.04524	64.8
124.04021	6.1
126.05581	3.8
127.00366	2.2
130.06619	1.5
131.03481	2.5
138.01439	3.1
142.05135	2.4
143.03467	2.6
145.05368	1.6
152.03531	6.8
155.01781	2.3
155.08597	1.9
161.04565	5.3
162.05554	2.1
168.03000	5.0
170.04582	13.7
170.09819	1.6
172.11322	5.2
173.04488	1.7
174.12807	1.7
177.01941	1.8
179.05571	9.2
183.01225	18.3
191.05595	2.3
196.02516	36.0
198.09236	2.3
199.07642	1.7
200.14613	1.6
213.09207	3.5
214.03601	21.5
229.06917	7.4
241.08705	19.0
242.08960	3.2
243.06464	2.2
257.06421	5.7
268.23212	1.7
270.14755	3.3
273.05807	2.2
274.06686	34.5
275.07275	2.2
280.20764	10.8
306.18445	2.0
307.72220	1.6
314.13977	7.2
315.14801	2.1
324.19696	18.8
335.07428	1.5
350.17477	5.0
368.18658	51.0
368.28766	1.6
394.16577	4.8
412.17624	79.0
413.17905	3.9
430.18463	2.8
437.12784	26.6
471.43353	1.8
548.25177	2.7
592.23956	62.5
616.33459	5.2
634.15839	3.1
652.17041	5.3
652.32166	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	652.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98833	11.5
62.24777	4.7
68.63860	5.5
69.03437	5.6
69.13776	17.8
69.14178	12.2
71.01392	40.0
85.02959	7.4
89.02437	38.2
97.02955	18.4
101.02436	19.0
111.04504	7.3
113.02435	11.5
115.90412	5.2
119.03517	14.9
123.04533	57.6
136.01640	12.7
137.29216	6.2
151.04013	16.9
165.05566	10.0
167.03578	7.0
172.11276	6.4
173.04523	6.0
179.05597	10.4
191.05565	11.3
280.20636	8.7
287.12857	20.4
324.19678	20.5
368.18665	41.6
412.17722	73.4
449.17792	6.9
479.17145	15.3
592.23920	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76926	1.7
57.03153	1.8
57.03452	3.0
59.01376	100.0
61.98830	90.2
63.48836	1.9
69.07861	13.3
71.01376	19.2
73.02935	6.7
75.00870	3.5
75.02322	1.7
79.01854	2.0
83.01389	3.0
85.02956	13.0
89.02452	9.0
90.06698	1.8
93.03456	4.2
95.01373	2.3
101.02430	15.8
113.02419	13.7
117.36823	2.0
125.02431	2.6
129.44629	1.7
138.77687	1.8
139.04025	2.8
161.04593	3.7
171.10255	10.1
179.05534	3.4
185.15578	2.3
191.05579	6.9
209.11803	8.4
224.24467	2.0
229.18137	2.4
341.27426	2.4
379.95215	2.2
389.21936	3.2
390.22339	5.4
422.21570	4.9
422.42758	2.1
458.45139	2.2
467.30081	3.7
485.31158	81.7
486.31265	6.2
503.32172	20.2
538.32941	2.7
545.33325	21.9
652.34027	3.2
653.30609	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	653.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03440	1.0
59.01377	100.0
60.01719	0.7
61.98830	2.3
69.03447	1.9
70.65905	0.7
70.66241	1.0
71.01377	24.3
72.01719	0.7
73.02941	44.9
81.03465	0.7
83.01390	11.3
85.02943	6.8
87.00886	2.2
88.98820	2.5
89.02435	9.2
93.03451	1.2
95.01399	1.8
97.02973	0.6
99.00895	1.0
99.04470	0.7
101.02440	37.4
101.13374	0.7
113.02452	18.6
116.92860	1.4
119.03482	5.6
121.02972	1.0
125.02479	1.6
127.98082	0.6
131.03468	3.1
135.04521	1.1
137.02495	0.6
139.04034	2.0
143.03482	5.8
149.04541	9.2
155.03523	1.3
159.04482	0.6
161.04558	15.3
161.05867	1.2
163.04060	0.6
171.10248	0.8
173.04582	1.3
179.05609	1.1
191.05635	3.9
203.05675	1.7
205.08652	0.8
209.11867	1.4
219.06686	2.3
221.06468	3.7
307.11813	0.9
351.08829	1.2
405.25333	0.6
537.33331	0.9
538.33142	4.5
539.24902	1.0
539.33044	2.3
549.30774	0.7
635.30981	0.6
653.19690	0.6
653.33527	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	653.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
64.46829	0.5
69.06716	2.9
71.01380	13.7
73.02953	0.6
83.01401	0.5
89.00333	1.1
89.02438	1.6
91.01868	1.0
95.01388	0.7
101.02443	1.7
105.03439	0.6
106.00609	2.0
113.02453	1.5
115.00376	6.9
119.03519	1.4
121.02957	29.4
123.00844	0.9
127.00431	0.6
133.02939	1.6
135.92577	0.5
138.03230	2.5
153.05574	24.1
154.05936	0.5
163.04012	1.4
166.99916	1.1
177.01924	21.5
178.02193	0.5
179.05576	0.6
182.02223	4.7
191.05614	2.7
192.06583	1.1
197.04547	100.0
198.04857	3.2
204.06680	0.8
244.02858	0.8
300.05377	0.5
313.05704	7.7
314.05991	0.6
339.07193	8.6
340.07562	0.7
519.19891	2.1
531.19263	0.6
549.25549	0.7
580.51514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.6
61.98840	1.1
71.01366	1.9
71.43039	1.0
73.75754	0.7
84.95123	1.0
85.02937	0.9
89.77336	0.6
93.03463	1.3
101.02419	1.0
106.04225	2.6
113.02452	1.4
117.07882	0.8
122.03719	11.4
123.31984	0.8
124.58781	0.7
130.08736	3.9
132.60797	0.9
137.06073	35.9
146.06134	2.0
187.39287	0.9
191.05577	5.3
212.14067	1.9
215.33212	0.8
236.73439	0.9
243.10233	100.0
244.10553	3.4
267.42563	0.8
328.87140	1.0
387.14572	7.7
388.49384	0.9
405.15475	7.9
447.16605	17.2
447.22385	0.6
461.18018	1.3
538.36322	3.9
653.37592	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	653.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54307	0.6
59.01384	4.3
60.79229	0.6
65.65587	0.6
69.38378	0.5
69.50620	1.4
69.51012	1.4
70.24346	0.5
70.60080	0.6
71.01389	1.4
75.11021	0.6
81.03456	12.2
93.03471	1.8
95.05066	0.8
96.96049	0.7
101.02467	0.8
111.04501	0.8
121.02965	0.8
137.06084	85.6
138.06433	1.8
149.02451	0.8
149.06029	0.6
150.03223	1.6
151.04008	1.4
158.96828	0.6
161.06117	0.8
164.04829	0.8
165.01909	0.9
165.05536	1.1
191.05643	1.7
194.05850	0.9
195.06630	2.5
201.02562	2.4
201.11275	1.3
208.03769	0.7
215.21147	0.6
223.06094	2.5
225.07591	1.4
242.09395	1.2
243.10251	100.0
244.10544	4.5
267.10324	0.6
357.13565	1.0
387.14465	10.4
388.14719	1.0
405.15503	11.5
406.15857	1.0
447.16595	22.5
448.17062	1.7
472.02106	0.6
549.19690	0.9
609.21118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23829	0.5
53.24091	0.5
57.03448	0.6
59.01377	6.2
61.98814	2.3
66.96105	0.5
69.94317	1.8
71.01372	1.9
73.02941	1.5
75.31559	0.5
81.06696	0.6
83.01362	0.6
84.56087	0.6
85.02940	1.5
87.00873	0.9
89.02430	1.0
93.03415	0.8
96.95999	1.5
98.21999	0.9
101.02424	1.7
108.02188	4.8
108.81041	0.7
113.02454	2.5
116.92857	1.3
118.96732	0.7
121.02940	1.6
135.04565	0.7
136.01662	5.7
137.02451	4.0
149.02438	1.0
150.03215	2.1
151.03983	1.9
161.02412	0.5
161.04543	0.8
165.01901	1.9
165.05511	2.1
179.07042	1.1
180.04240	1.7
191.05583	1.6
192.04291	0.7
195.06538	0.9
196.02278	0.8
199.07646	12.3
206.29417	0.6
225.09245	1.1
225.89369	0.6
227.07127	100.0
228.07846	14.2
229.08568	1.3
241.08693	3.1
242.06848	0.9
242.09471	40.5
243.10234	52.9
244.10468	1.3
253.08794	1.0
255.09961	0.8
270.08896	0.9
285.11380	3.2
377.14810	0.8
387.14471	3.9
405.15570	20.7
406.15988	1.0
447.16595	38.5
448.16696	1.9
586.00488	0.6
653.22552	0.7
675.54401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17916	0.3
59.01380	4.6
60.40807	0.3
61.98818	1.7
67.98785	0.3
71.01370	1.6
73.02943	0.6
74.77183	0.3
81.12750	0.4
85.02952	0.7
88.11771	0.4
88.98819	0.4
89.02429	1.2
93.03471	0.4
96.96029	0.4
100.58174	0.4
101.02425	0.7
101.69601	0.3
106.30889	0.4
113.02444	0.7
116.92854	1.6
119.03544	0.5
121.02909	0.5
122.03719	1.4
123.04510	1.5
125.02424	0.6
135.04541	0.5
138.03229	2.6
139.04010	0.9
150.03232	0.5
151.04001	8.4
152.04790	20.9
153.05083	0.5
161.04550	0.5
165.05527	0.5
166.02768	1.8
167.03455	1.0
173.04527	0.4
191.05730	0.6
213.09167	0.7
225.09189	1.0
226.06445	0.8
227.06871	0.9
227.10825	0.4
228.07948	0.6
240.07922	0.4
241.08730	3.3
242.09311	1.8
243.10245	100.0
244.10559	4.1
254.09592	0.4
269.11728	0.5
287.12915	2.4
323.09860	0.5
336.69223	0.3
367.65359	0.4
381.86929	0.4
387.14285	0.8
405.15567	7.6
406.15625	0.5
447.16605	37.9
448.16986	2.7
491.28552	0.9
552.22717	0.3
617.33374	0.7
653.34717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39780	0.1
59.01377	1.2
61.98813	0.2
64.73499	0.1
70.74285	0.2
71.01384	0.5
73.02946	0.4
75.00874	0.3
76.80543	0.1
82.24982	0.1
85.02950	0.2
89.02431	0.5
90.11142	0.1
96.96000	0.7
99.00859	0.3
99.92586	9.7
100.92599	0.3
101.02418	0.2
113.02438	0.3
114.93433	0.4
116.92860	100.0
117.01934	1.1
117.92855	2.8
119.03504	0.2
135.04561	0.3
160.01764	0.2
161.02440	0.5
167.03520	0.2
179.03603	0.2
183.04501	0.2
191.05635	0.3
245.88686	0.1
269.94815	0.1
351.15604	0.2
358.17911	0.2
385.63535	0.2
405.57675	0.2
463.53024	0.1
491.12048	0.3
549.78461	0.2
593.27667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72710	0.2
59.01373	0.6
59.27902	0.2
61.98828	100.0
71.01405	0.2
85.46916	0.2
93.21325	0.2
98.22616	0.3
101.73408	0.2
133.95578	0.2
285.14935	0.3
286.15308	0.3
345.31839	0.2
389.50214	0.2
410.92801	0.2
411.22662	0.2
495.55594	0.2
587.56824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
59.84366	0.3
61.98830	2.6
63.12430	0.2
65.48318	0.2
71.01357	0.4
73.02925	0.3
76.63871	0.2
84.95086	0.3
86.88631	0.2
99.94876	0.2
101.02434	0.4
113.02390	0.3
116.92811	0.3
118.45690	0.2
122.03706	0.7
137.05257	0.2
137.06097	2.4
145.08698	0.4
161.04562	0.2
210.10522	0.9
225.09213	1.2
228.33449	0.2
239.07129	0.5
243.10268	5.8
244.10649	0.3
253.08807	1.6
254.09482	61.4
255.09828	1.9
268.11148	0.4
269.11826	100.0
270.12189	3.5
283.04990	0.3
328.77225	0.2
352.48740	0.2
387.14706	0.6
405.15527	0.3
431.17105	8.5
432.17322	0.5
447.16452	1.0
605.63971	0.3
638.38837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	7.2
59.01379	78.5
61.98824	32.8
70.60813	11.1
71.01392	26.2
73.02937	9.1
75.70035	4.7
82.95377	5.1
85.02950	6.9
87.00889	8.0
89.02430	19.0
93.03424	11.2
95.04984	5.2
96.96011	5.6
98.78344	4.0
101.02433	22.5
109.02865	4.5
113.02403	9.3
116.92860	5.9
139.04036	11.4
147.66870	4.3
158.22173	5.2
161.04556	7.5
163.11246	5.7
171.10265	100.0
173.04625	4.9
185.11830	4.9
191.05638	22.1
201.09198	4.4
207.10272	6.8
209.11813	97.2
210.12093	7.0
227.12935	26.6
229.08650	10.3
235.08337	11.8
253.09283	7.5
304.97501	5.0
407.19098	8.4
409.14789	10.2
410.15652	11.2
445.20779	6.4
486.31570	14.0
504.32425	9.6
619.77002	5.7
635.30353	12.2
653.30054	78.7
654.30286	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	653.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.4
61.98827	9.7
65.18235	2.8
71.01379	14.3
83.01357	3.5
83.05038	5.1
85.02928	7.1
86.69244	3.2
89.02425	10.2
96.77257	3.2
101.02425	11.5
109.06576	4.5
113.02435	8.7
115.48558	3.0
116.06075	3.1
119.03472	4.6
125.09692	3.0
125.85776	3.2
139.03978	6.4
152.78261	3.5
169.87527	3.3
171.10252	90.2
173.04472	4.0
179.05586	3.6
185.11736	5.5
191.05582	9.6
201.05617	4.1
202.06152	3.3
207.10297	6.9
209.11824	100.0
227.12875	20.8
230.09363	4.3
235.08159	6.7
253.09233	9.8
260.27646	3.7
305.97678	3.2
407.19153	9.5
409.14969	5.0
410.15576	5.9
417.22888	4.4
445.20142	9.2
466.96890	3.9
635.30530	15.9
653.29675	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	653.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86777	0.5
55.42805	0.5
57.03429	1.2
59.01379	44.5
61.98815	1.0
69.27020	2.7
71.01381	20.5
72.99291	1.1
73.02935	2.1
74.99083	0.8
77.01324	0.5
77.66682	0.5
83.01373	2.1
83.04993	0.6
85.02940	6.1
87.00861	1.8
88.98809	1.3
89.02444	14.9
93.03482	0.6
95.01394	1.2
96.96014	2.1
98.22657	1.0
99.08153	0.7
101.02440	11.9
107.04953	0.7
108.02168	1.8
109.02949	1.2
113.02451	8.9
113.09716	0.8
119.03531	4.7
123.04496	2.6
123.91121	0.5
124.04835	0.7
129.09183	0.7
135.04504	1.6
139.03993	2.6
152.01128	1.9
153.01782	0.9
153.05559	2.5
154.05891	1.3
161.04544	1.1
173.04509	0.9
179.03482	1.3
191.05565	1.4
201.03969	1.0
203.10751	0.6
205.12305	0.7
209.11777	0.8
293.21240	0.7
311.22226	9.2
329.23233	3.3
377.28522	0.8
416.84641	0.6
473.27719	2.6
491.28668	9.8
492.29004	0.7
493.13736	0.6
505.19983	1.6
539.34271	8.2
609.21643	1.9
635.31506	0.6
653.33856	100.0
654.34143	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	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37024	0.3
55.01870	1.5
56.71006	0.3
57.03441	1.0
58.00600	0.7
59.01377	52.3
60.01705	0.3
61.98824	2.3
68.99804	0.3
69.03451	2.1
69.83862	0.3
71.01378	33.2
72.99320	1.4
73.02943	6.7
75.00880	0.8
77.20644	0.3
81.03437	1.6
83.01384	4.1
83.05051	0.3
85.02946	7.5
87.00871	8.1
87.04536	0.5
89.02441	34.3
89.68319	0.3
91.04008	0.7
93.03470	0.5
95.00851	0.5
95.01363	2.6
97.02946	6.4
97.04925	0.3
99.00865	1.9
99.04506	0.5
101.02438	27.7
101.69707	0.3
102.02781	0.4
103.04008	0.5
109.02962	0.4
111.00877	0.5
111.04522	0.8
113.02448	16.0
115.04021	0.7
119.03495	11.5
119.04320	0.7
121.02944	0.8
122.63552	0.4
123.00871	0.3
123.04517	0.4
125.02444	13.2
127.04080	0.5
131.03525	1.8
133.05064	1.3
137.02423	0.4
139.04031	1.5
141.01984	0.5
143.03491	5.1
143.16356	0.3
149.04594	0.8
155.03513	0.4
158.98970	0.3
161.04546	6.7
167.03442	0.5
169.05040	0.5
179.05614	6.7
185.04585	0.5
199.06198	0.8
203.05663	0.3
216.09196	0.3
217.07181	1.1
221.06635	2.4
235.08199	13.7
245.06590	0.7
253.09265	3.3
255.23276	99.1
256.23608	4.5
263.07678	1.6
269.24738	0.7
277.09158	0.9
287.07751	3.8
305.05579	0.5
305.08777	4.7
323.09811	2.4
361.11404	0.6
367.71878	0.4
379.12296	1.0
384.58087	0.3
397.13467	100.0
398.13815	4.6
415.14536	32.9
416.14929	1.4
653.37488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17799	0.3
51.69364	0.3
55.01882	1.2
57.03445	1.4
58.00596	0.5
59.01377	54.7
61.98820	2.6
66.84061	0.3
67.01887	0.3
68.99815	0.4
69.03449	2.0
69.74047	0.8
69.74361	0.3
71.01379	36.7
72.99313	1.3
73.02942	7.2
75.00862	0.4
81.03457	1.8
83.01385	4.3
83.05026	0.4
84.13982	0.3
85.02947	8.1
87.00877	8.3
87.01380	0.6
89.02441	33.0
91.04007	1.0
92.04104	0.3
93.03475	0.4
95.01380	2.7
97.02947	6.7
99.00870	2.2
99.04554	0.3
101.02440	28.9
103.00368	0.4
108.03978	0.3
109.02962	0.5
111.00873	0.7
111.04530	0.8
113.02449	13.8
115.04015	0.8
119.03501	10.6
121.02953	0.5
124.01669	0.4
125.02447	12.5
127.03997	0.5
131.03496	1.5
133.05086	0.8
137.02431	0.5
139.03992	1.4
141.01863	0.5
143.03496	5.6
149.04552	1.2
157.05055	0.5
161.04561	8.1
167.03490	0.8
169.05054	0.4
179.05595	6.3
185.04546	0.8
199.06172	0.4
215.29597	0.3
217.07150	1.0
219.05040	0.5
221.06679	2.2
235.08212	14.0
245.06766	0.7
253.09268	3.8
255.23277	99.9
256.23654	2.8
259.08603	0.3
263.07669	1.8
269.24753	0.7
277.09277	0.9
287.07690	3.5
305.08716	4.5
323.09897	2.2
361.11389	0.5
379.12411	1.0
397.13483	100.0
398.13794	2.3
415.14545	33.9
416.15009	0.7
572.18176	0.4
653.38129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44532	0.3
53.34887	0.3
59.01370	1.0
61.98828	100.0
69.81952	0.3
69.82253	0.5
93.83183	0.3
94.79868	0.3
98.22566	0.4
101.34185	0.2
107.68915	0.2
111.45287	0.2
190.39374	0.3
209.11826	0.5
398.23502	0.3
422.49603	0.3
653.31342	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	653.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70833	2.2
54.77974	2.0
57.03448	2.6
59.01376	15.9
61.98835	8.5
69.95729	5.5
69.96060	2.5
71.01392	9.3
88.74036	1.9
89.02441	5.1
93.03467	7.2
101.02455	3.6
109.06607	3.3
113.02467	2.9
119.03469	2.6
137.02461	8.5
171.10292	6.0
191.05659	3.6
207.10326	4.3
209.11819	10.4
225.11259	5.8
229.08658	3.9
243.82719	2.3
257.12970	2.6
320.15976	2.3
615.18597	5.3
635.31519	6.2
653.32245	9.1
653.44373	100.0
654.44708	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	654.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98826	12.3
70.96310	0.6
71.01381	1.8
73.02928	0.5
78.29842	0.4
78.85832	0.3
85.02951	0.9
87.00868	0.4
89.02445	0.4
93.03458	0.5
101.02433	1.1
108.69414	0.4
113.02435	1.1
116.92786	0.6
121.02951	3.8
123.48633	0.5
135.04562	0.7
136.05289	4.4
139.03961	0.4
151.07669	0.5
161.04567	4.3
165.05472	0.6
184.92244	0.4
191.05655	0.5
196.08932	2.0
205.08806	0.7
210.96417	0.4
241.08672	0.6
246.78189	0.4
257.08228	0.8
270.29221	0.4
272.10583	6.8
287.12881	100.0
288.13239	4.3
376.56680	0.4
406.49454	0.4
449.18158	25.8
450.18509	2.1
595.20697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45152	0.6
55.01871	3.6
57.03451	0.9
59.01380	36.3
61.98830	12.8
69.43723	1.0
69.44135	2.0
71.01388	9.0
73.02961	3.4
83.01378	2.3
84.02165	0.6
85.02946	4.5
87.00842	0.8
89.02435	7.8
91.91538	0.6
93.31762	0.6
95.01347	0.7
96.96021	0.7
97.02917	1.3
99.00857	0.9
101.02438	6.9
109.06596	0.6
112.01669	11.1
113.02460	8.3
119.03524	2.9
125.02422	1.8
127.04010	11.0
137.06062	0.7
137.08429	0.6
143.03479	0.6
144.00636	3.4
146.67995	0.6
162.02507	0.6
167.03526	0.6
173.04686	0.6
179.05609	1.2
191.05620	1.9
260.16565	1.7
286.14258	0.7
304.15625	0.8
312.19943	0.7
370.20129	1.2
373.40924	0.6
414.19055	1.6
422.21606	0.7
449.12430	0.7
466.20648	4.0
547.05646	0.6
580.24078	3.7
588.09027	0.8
594.25531	100.0
595.25714	5.7
631.67542	0.6
654.34802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01672	0.4
55.01874	4.5
57.03432	1.0
58.00586	0.6
58.03745	0.5
58.20008	0.5
59.01378	47.3
61.98827	6.1
69.21475	1.9
69.21883	0.8
71.01388	9.2
72.99300	0.6
73.02948	3.9
82.95324	0.4
83.01370	1.8
83.39681	0.5
85.02937	3.9
87.00854	1.0
89.02438	6.2
95.01378	0.5
96.69807	0.5
97.02936	0.5
98.22591	1.2
99.00856	1.2
100.06681	0.4
101.02442	7.1
102.98557	0.6
106.90630	0.4
112.00879	0.6
112.01664	11.6
113.01720	0.7
113.02462	12.5
119.03483	1.5
120.99683	0.5
125.02452	1.1
125.94654	0.4
127.04012	11.7
128.20560	0.5
132.85860	0.5
137.06049	0.8
139.03885	0.6
144.00645	3.6
165.05537	0.8
166.06306	1.0
167.06696	0.6
173.04506	0.6
191.05554	0.9
203.36314	0.5
225.15355	0.5
242.15384	1.1
260.16513	1.9
286.14410	1.7
287.12894	3.5
288.13232	2.3
304.15582	0.6
432.20053	0.6
448.19766	0.9
448.25778	0.5
449.18222	1.7
466.20837	4.5
492.19458	1.0
494.23831	0.7
580.24030	10.4
581.24048	0.7
594.25537	100.0
595.25854	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	655.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.9
66.82375	0.3
68.75083	0.3
69.55634	0.8
69.56024	0.7
71.01382	13.5
72.01720	0.3
77.49758	0.3
78.01098	0.8
83.01376	0.7
85.02916	0.5
88.23341	0.3
89.00330	1.4
89.02446	1.0
91.01886	0.9
92.99809	0.3
93.03486	0.5
97.15018	0.3
101.02429	1.1
106.00598	1.5
107.05035	0.4
111.00826	0.6
113.02415	1.0
115.00372	7.2
119.03503	0.7
121.02959	27.0
122.03280	0.4
123.00839	1.5
127.00404	0.4
133.01418	0.4
133.02901	0.4
135.04539	3.4
138.03218	3.0
153.05574	22.3
154.01466	0.8
166.99844	0.8
173.04489	0.4
179.03490	3.5
182.02184	4.1
190.86118	0.3
191.05598	1.3
197.04547	100.0
198.04868	1.9
235.11824	0.5
313.05661	6.6
341.08710	3.0
379.14117	0.4
546.13721	0.3
551.25677	0.3
608.39282	0.4
665.48474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39111	0.3
58.43343	0.3
59.01370	2.0
61.98823	0.9
67.01883	0.4
69.03440	0.4
69.88341	0.8
70.45543	0.3
71.01371	0.9
73.02940	0.5
81.03439	0.5
83.05006	0.4
85.02953	10.6
87.00883	2.6
92.15987	0.3
93.03461	4.7
97.02950	0.4
99.04520	0.5
108.02192	0.5
109.02946	3.4
111.04483	1.5
111.57836	0.3
113.02415	0.3
114.26109	0.3
116.92852	0.3
117.03545	0.3
121.02930	1.0
123.00867	0.6
123.04491	0.3
125.02457	0.5
127.03999	2.4
128.03584	0.3
134.03758	1.2
135.04500	0.5
137.02435	0.6
145.02974	0.3
146.06178	0.4
146.44762	0.3
149.02458	0.8
150.03224	0.5
161.02441	1.2
162.03244	0.7
163.00374	0.7
164.01131	0.5
166.67670	0.3
171.03012	0.5
171.46930	0.3
173.02437	0.4
173.04539	1.2
173.05930	0.4
175.03983	1.0
176.01120	1.3
177.01942	2.8
183.04515	0.4
185.05998	0.4
187.03867	0.3
188.00993	0.4
189.01933	8.2
190.00952	0.4
190.02713	8.0
191.05605	100.0
192.05966	1.5
197.06009	0.4
199.04001	0.6
205.01323	0.4
211.03923	0.6
213.05563	0.6
216.00687	1.9
217.01414	4.6
217.05054	0.7
218.02065	0.6
225.05560	1.4
227.03506	0.8
231.67107	0.3
235.03963	0.4
240.04193	0.4
241.05045	1.0
251.03183	0.4
253.05037	0.9
254.05539	0.4
255.03023	0.9
255.06638	0.4
256.03772	0.9
269.04578	2.1
283.02448	0.8
284.03284	4.6
285.03894	0.8
297.04037	8.1
298.04672	1.1
299.05542	1.9
325.03403	0.6
339.05249	0.5
341.06448	0.8
354.07455	0.5
355.08078	1.1
419.11493	0.4
463.10324	60.2
464.10629	2.7
481.10983	0.4
607.21375	0.3
654.16888	0.4
655.16199	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	655.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09977	0.5
57.03429	0.8
59.01378	5.6
61.98812	0.6
69.03433	2.0
69.31879	2.5
71.01376	6.7
73.02944	1.8
81.03468	0.8
83.01382	1.2
85.02953	18.3
87.00884	3.5
89.02441	1.4
91.27441	0.5
93.03455	8.2
95.01386	1.3
97.02958	0.7
98.22645	1.2
99.00819	0.7
99.04547	0.7
101.02435	4.7
101.46583	0.6
109.02951	2.2
111.04524	1.7
113.02440	6.2
119.05042	0.7
123.35861	0.5
123.36829	0.6
125.02440	1.3
127.04024	3.6
127.04989	0.6
137.02454	1.0
145.02917	1.4
147.04546	1.0
149.02446	1.1
150.03230	3.1
151.03963	0.9
155.03804	0.7
155.05019	8.3
157.02930	0.8
159.02954	0.7
161.04500	3.9
163.04005	0.9
165.05597	1.4
169.06502	0.6
171.03032	1.0
171.04500	2.0
173.02441	7.6
173.04555	1.8
174.03217	12.4
175.04001	8.9
181.06621	1.3
182.03700	1.5
183.04488	1.6
185.02354	1.0
187.04022	1.3
189.01878	0.6
190.02678	0.7
191.05606	100.0
192.05910	0.9
195.04494	1.1
197.02365	0.7
197.06018	1.8
198.03206	3.8
199.03996	40.0
200.04547	1.3
201.02000	3.0
203.06935	0.5
207.04584	0.9
208.05243	0.7
209.06052	5.3
211.03975	6.5
212.04645	0.8
213.05524	3.0
215.03522	0.9
217.04985	1.0
222.56889	0.6
224.04817	1.2
225.05521	6.4
227.03403	0.7
228.04233	0.8
230.02144	0.8
235.04050	1.9
239.03554	1.0
240.04279	1.8
241.05003	0.9
243.02937	8.8
243.06700	2.1
245.08095	0.8
251.03564	3.1
251.08754	1.1
251.11359	23.0
253.05034	23.0
254.05757	1.9
255.06606	4.0
279.02963	3.5
279.29422	0.6
281.04456	1.1
287.05603	1.8
289.07001	3.0
297.04013	30.5
298.04257	1.0
365.14569	3.7
377.10266	4.4
401.10315	1.8
419.11334	28.4
420.11438	1.3
437.12500	1.7
463.10294	23.6
464.10461	1.6
481.11566	1.2
655.16321	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	655.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.2
59.01373	8.0
61.98829	1.1
67.01892	1.1
69.03454	1.8
71.01375	8.5
71.06042	1.1
73.02930	3.3
74.57453	0.6
82.69363	0.6
83.01351	1.1
85.02947	18.1
87.00880	3.3
89.02446	1.4
93.03454	6.8
99.00903	1.0
101.02428	7.8
109.02953	3.0
111.04472	1.5
113.02447	9.7
123.04523	1.1
125.02436	1.8
127.04010	3.4
137.02420	1.2
138.15735	0.6
143.04581	0.8
150.03246	2.1
155.05042	4.4
159.02914	1.0
161.04555	4.3
163.03876	0.9
165.05615	1.3
168.13968	0.6
171.03029	0.9
171.04472	1.0
173.02437	6.4
173.04591	1.6
174.03209	9.0
175.04041	4.4
182.03679	0.9
187.03897	0.9
188.04721	0.9
189.01913	2.1
190.02742	1.9
191.05600	100.0
192.05988	2.0
197.06024	0.8
198.03178	3.5
199.04008	22.5
201.01961	1.6
201.90518	0.6
203.07072	1.3
209.06067	2.0
211.04042	3.9
212.04741	1.1
213.05540	2.0
217.01392	1.6
217.05122	1.0
225.05482	2.6
227.03543	1.0
237.05580	1.0
239.03275	0.7
241.04984	1.5
243.02953	3.5
243.06599	0.8
245.08173	1.2
251.11345	33.0
253.05048	17.9
254.05788	1.4
255.06577	2.8
269.04709	1.1
284.03278	1.2
289.07224	4.7
297.04010	9.3
365.14413	5.7
367.10284	1.3
377.10217	6.4
401.10550	1.1
419.11346	27.3
420.11832	1.4
421.09094	0.9
437.12540	1.3
463.10318	29.8
489.10254	0.9
655.16583	10.7
656.17352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55832	0.4
59.01377	2.7
61.98823	0.4
64.14006	0.4
65.10866	0.5
67.01871	1.5
69.03455	0.6
69.06928	0.4
70.70882	0.6
70.71223	0.6
71.01361	1.6
74.59234	0.4
81.03455	1.0
83.05030	0.6
85.02950	14.2
87.00864	3.5
93.03449	5.9
95.01397	0.7
99.04531	0.8
101.05993	0.4
109.02930	2.6
111.04494	2.1
113.02413	0.6
121.02939	1.3
123.00858	0.6
123.04523	0.6
125.02405	1.2
127.03979	3.3
137.02434	1.5
147.04503	0.7
150.03194	1.3
151.03957	0.7
155.05011	1.7
161.02435	0.6
163.03986	1.4
164.01042	0.5
169.06619	1.2
171.02960	1.3
171.04462	0.7
173.02403	1.6
173.04578	2.3
174.03258	2.7
175.03973	7.8
177.01881	0.8
179.03539	0.6
180.05841	0.7
181.06612	3.4
182.03766	1.3
183.04482	2.5
187.03961	1.2
188.04747	0.7
189.01955	1.5
189.05540	0.5
190.02727	1.6
191.05605	100.0
192.05965	1.7
195.04489	0.9
196.05325	1.3
197.06104	2.5
197.07768	0.5
198.03300	2.4
199.03981	8.0
201.01904	3.3
204.04311	0.6
207.04533	1.4
208.05286	1.5
209.06065	14.1
210.03226	1.8
211.03972	9.4
212.04715	1.6
213.05548	2.0
214.02670	1.8
215.03462	3.2
217.05072	1.4
223.03966	2.2
224.04811	3.0
225.05542	10.6
226.06129	0.9
227.03474	1.9
228.04326	0.7
235.03944	4.8
236.04762	0.6
238.02786	0.7
239.03384	0.8
240.04280	2.2
241.05020	0.9
242.02194	0.9
243.02966	18.5
243.06653	1.2
244.03545	0.6
245.04494	0.5
251.03461	8.8
252.04181	1.0
253.05057	32.1
254.05713	2.3
255.03050	0.8
255.06648	1.0
256.03757	0.5
269.04526	1.5
272.03275	0.5
279.02966	10.3
280.03644	0.8
281.04559	1.0
283.05713	0.5
284.03235	0.8
285.04022	0.9
287.05719	2.4
295.05957	0.5
297.04028	89.7
298.04364	2.9
299.05591	0.4
301.07077	0.6
377.10385	1.2
395.11176	0.6
419.11221	5.2
434.21854	0.5
437.12296	1.0
445.09186	1.8
463.10336	27.6
464.10599	1.1
648.40149	0.5
655.16547	3.9
666.34674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62946	0.5
57.03432	0.6
59.01365	2.3
61.98829	1.1
63.15495	0.5
65.54319	0.5
66.18129	0.5
66.25857	0.5
67.01880	0.7
67.25451	0.5
69.03444	0.7
69.15363	2.6
71.01367	1.0
73.02941	0.9
81.03507	0.6
83.01392	0.5
85.02950	11.4
87.00863	2.2
93.03459	4.8
96.95988	0.6
97.02963	0.6
99.04502	0.7
108.02161	0.8
109.02950	3.8
111.04495	1.5
113.02387	0.5
121.02934	1.4
124.98164	0.5
125.02447	1.7
127.04034	2.5
134.03743	1.6
135.04527	0.7
137.02429	1.8
144.77380	0.5
149.02437	1.1
151.04047	0.7
161.02409	1.4
163.00259	0.6
163.04053	0.5
164.01096	0.8
165.01865	0.5
171.03099	0.7
173.02373	0.8
173.04539	2.3
174.03214	1.0
175.04025	1.4
176.01187	0.6
177.01923	3.4
181.63316	0.5
185.06046	0.7
188.12575	0.6
189.01926	7.1
190.02704	8.5
191.05602	100.0
192.05856	1.4
199.03963	1.4
201.05637	0.6
203.03464	0.6
209.06100	0.7
211.04015	0.9
214.02675	0.7
216.00543	1.2
217.01379	4.4
217.04987	1.2
224.04909	0.6
225.05539	1.6
231.06461	0.5
241.05054	1.5
243.02975	1.7
251.03386	0.9
253.05038	2.9
255.02908	1.4
256.03641	0.9
261.07956	0.5
269.04480	3.3
279.02896	0.8
281.04678	1.1
283.02478	0.9
284.03235	4.1
285.03946	0.7
289.06918	0.6
297.04013	13.1
298.04587	1.7
299.05530	1.6
325.03568	0.7
327.95599	0.6
341.06808	1.0
351.07172	0.6
354.07565	0.7
419.11441	1.0
422.57809	0.6
437.12616	1.1
463.10330	60.5
464.10745	2.3
481.11053	1.0
500.32367	0.6
537.38025	0.6
582.22974	0.6
655.16937	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	655.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
58.02583	0.6
58.02985	0.6
59.01365	1.9
61.98828	3.3
67.01848	0.9
69.44711	1.9
71.01373	1.9
73.02934	0.7
74.02443	0.6
81.03476	0.7
83.09952	0.5
85.02947	17.6
87.00860	3.1
93.03454	7.0
95.01390	1.1
99.04515	0.8
108.02158	0.6
109.02957	1.8
111.04507	1.3
116.92872	0.5
121.02934	0.9
122.03703	1.0
123.00904	1.0
125.02423	1.4
127.04085	3.0
128.03532	1.8
137.02454	1.1
143.04620	1.2
145.02879	0.9
147.04552	1.2
150.03235	0.5
151.03943	0.7
155.04964	1.8
161.02438	0.9
163.03996	1.4
169.06619	1.2
171.03049	0.9
171.04445	0.8
173.02461	2.5
173.04550	2.3
174.03128	3.8
175.04004	9.7
179.04692	0.7
180.05746	0.7
181.02977	0.6
181.06567	4.0
182.03764	1.2
183.04504	3.7
191.05602	100.0
192.05948	1.6
195.04460	1.0
196.05264	1.5
197.02759	0.5
197.04506	2.1
197.06084	3.6
198.03226	3.8
199.03975	11.4
200.04593	0.7
201.01843	2.9
204.04300	0.9
207.04482	2.3
208.05247	1.7
209.06065	16.1
210.03191	2.3
211.04002	11.4
212.04755	1.2
213.05504	3.0
214.02779	1.4
215.03548	3.6
217.05125	1.3
219.06667	1.2
223.03998	2.5
224.04810	4.1
225.05545	13.0
226.02661	0.8
226.06084	1.0
227.03476	1.6
228.04102	0.9
235.04013	6.1
236.04649	0.6
238.02615	1.0
239.03334	0.8
240.04274	2.3
241.05232	0.9
242.02304	0.9
243.02957	19.1
243.06627	1.1
251.03450	10.4
252.04167	1.1
253.05042	39.1
254.05663	3.1
255.03101	1.1
255.06575	1.5
256.03882	0.8
269.04489	0.8
272.08798	0.7
279.02991	11.9
279.39572	0.7
281.04489	1.8
285.03992	0.9
287.05618	4.4
297.04013	89.4
298.04269	4.7
299.05423	0.9
306.07730	3.2
377.10330	3.2
401.10748	0.7
419.11343	11.3
420.11862	0.7
437.12491	1.0
445.09253	2.1
463.10333	21.6
464.10901	1.5
639.91205	0.7
646.10480	0.6
655.15710	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	655.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01377	2.9
61.98830	1.1
67.01884	1.0
69.03459	0.7
71.01390	1.7
78.64346	0.4
81.03461	0.4
83.05026	0.8
85.02945	15.6
85.09329	0.5
87.00871	2.3
93.03462	6.9
95.01385	0.4
97.93298	0.4
99.04535	0.7
109.02934	1.8
111.04527	1.5
113.02392	0.5
121.02968	1.0
122.03790	0.8
123.04469	0.6
125.02488	0.6
127.04021	4.1
128.03513	0.7
137.02463	0.6
138.62817	0.4
143.04697	0.7
145.02921	0.7
146.06105	1.0
147.04536	1.2
149.02489	0.6
150.03218	2.4
153.05598	0.5
155.05009	4.7
157.02963	0.8
165.05530	1.2
171.02991	1.0
171.04544	1.2
173.02428	8.8
173.04587	2.4
174.03206	12.3
175.04001	7.3
181.06578	0.6
182.03809	0.8
183.04477	1.2
185.02324	0.7
185.05832	0.4
186.03183	0.5
187.04126	0.6
188.04762	0.5
189.05551	0.5
190.02570	0.4
191.05605	100.0
192.05965	0.8
195.04474	1.2
197.04475	1.0
197.06129	0.9
198.03185	3.5
199.03995	28.4
200.04584	0.5
201.01910	2.3
203.07095	1.1
207.04543	0.5
209.05978	2.0
211.03996	6.3
212.04756	1.4
213.05557	2.1
217.05009	0.9
224.04727	0.5
225.05531	3.1
227.03456	0.4
228.04266	0.8
229.04970	0.5
233.06429	0.5
235.04037	1.0
237.05475	1.1
239.03461	0.5
240.04204	1.0
241.05019	1.4
243.02956	2.9
243.06561	1.7
245.08205	0.5
253.05054	22.9
254.05714	1.4
255.06683	3.1
265.04904	0.4
269.04584	0.7
271.06161	1.0
272.08844	0.6
279.02789	0.9
283.02213	0.5
287.05524	1.1
294.65237	0.5
295.06244	0.5
297.04050	6.1
306.07635	0.8
348.85910	0.4
377.10297	8.6
401.10355	2.1
419.11349	35.0
420.11444	1.3
421.09116	1.2
437.12302	1.5
463.04025	0.8
463.10297	11.0
464.10513	0.5
481.11636	1.9
486.92548	0.5
489.10385	3.2
638.49622	0.5
655.16504	15.3
659.93866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03430	2.0
57.65156	0.7
59.01373	18.1
59.35551	0.6
61.98810	0.8
67.01884	1.3
69.03452	4.5
69.35266	1.6
69.35645	1.4
71.01378	21.5
73.02945	9.3
81.03478	0.8
83.01382	5.0
85.02945	20.0
86.05422	0.6
87.00871	1.8
89.02432	4.9
93.03446	3.7
93.07507	0.6
95.01368	1.8
97.02931	1.9
99.00880	3.2
101.02435	21.6
101.06081	2.0
108.59315	0.6
109.02959	3.2
111.04482	1.3
113.02442	29.7
119.03486	1.8
123.04510	1.2
125.02482	2.9
127.03983	1.5
127.35332	0.7
137.02444	2.1
143.03487	1.5
147.04498	1.2
149.02333	1.0
150.03241	1.5
151.04047	0.9
155.05029	2.0
156.83052	0.6
159.02917	2.9
161.04556	14.5
161.05910	0.7
165.01981	0.8
165.05550	1.1
171.04459	0.7
173.02388	4.2
174.03201	6.1
175.03951	4.1
175.81886	0.7
179.03413	0.7
183.04456	0.9
188.04686	0.7
188.70341	0.7
189.01849	0.8
190.02695	1.1
191.05595	59.8
192.05959	1.3
198.03108	1.4
199.03986	15.5
201.01891	1.5
202.06206	0.8
203.07088	2.1
205.05156	0.6
211.03992	3.6
212.04712	0.8
213.05498	1.2
217.01474	0.9
225.05557	2.4
227.03462	0.6
228.25569	0.6
239.03384	0.8
243.02939	2.3
243.06755	0.7
245.08176	2.2
251.11336	100.0
252.11641	3.1
253.05022	15.0
254.05551	0.6
255.06596	1.8
271.06161	0.6
279.03018	0.8
287.05807	0.7
289.07108	13.8
297.04031	5.8
307.94128	0.7
365.14481	17.7
366.14807	1.2
367.09918	0.8
377.10361	4.4
419.11282	20.1
420.11725	1.5
463.10345	14.6
464.10663	1.1
481.11435	0.8
489.10565	1.4
618.30322	0.6
655.16132	7.5
656.16913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28283	0.1
59.01372	0.7
61.98828	100.0
65.89469	0.1
71.01381	0.3
80.84036	0.2
85.02945	0.2
87.83857	0.1
89.02471	0.3
101.02429	0.2
113.02496	0.2
116.92847	0.7
121.70200	0.1
123.04542	0.1
129.48256	0.2
137.02487	0.2
147.69217	0.1
154.37273	0.1
157.71608	0.1
176.74040	0.2
191.05629	0.2
243.67485	0.1
271.13416	0.5
338.84073	0.1
341.10327	0.2
348.74133	0.1
595.25275	0.2
615.37018	0.2
627.22296	0.2
630.15234	0.1
662.61285	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	655.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74252	0.6
59.01373	5.4
61.98828	1.3
67.18338	0.6
69.03441	1.8
71.01369	2.1
81.03457	0.8
83.05010	3.0
85.02953	0.7
87.00873	0.6
88.55837	0.6
89.02453	1.7
93.03455	1.3
95.04991	1.0
96.96002	2.5
101.02450	2.1
108.04567	4.1
110.06120	1.3
113.02461	1.2
120.04552	49.1
122.06078	2.9
129.31374	0.6
134.06094	1.4
138.05594	5.2
150.05611	9.2
153.09225	0.7
161.04561	1.1
163.11284	2.0
165.12860	3.5
168.06651	10.8
171.10252	1.0
181.12279	3.6
191.10757	4.9
207.10182	0.9
209.11819	100.0
211.13551	1.2
218.15009	0.7
225.11331	0.7
227.12885	8.6
235.08253	2.2
243.95087	0.6
247.13428	1.3
253.09294	5.2
298.31223	0.6
340.10983	1.2
352.10931	1.3
354.12384	2.6
355.13321	0.6
367.09586	2.8
367.13593	0.6
368.10172	1.5
368.14316	1.5
370.15594	4.3
372.16959	1.0
382.11609	4.3
383.12659	5.3
384.11981	0.7
395.12738	0.8
396.13330	2.1
397.13623	0.8
398.15048	23.8
399.15323	1.3
404.02618	0.6
410.15109	5.8
411.15732	0.9
430.17426	2.9
445.20654	4.9
521.22333	1.0
531.20239	1.1
533.21899	1.1
549.21399	1.9
561.21466	4.9
571.83026	0.7
579.22467	22.8
580.22595	1.1
593.22833	0.8
605.20270	6.9
611.25140	10.3
612.25458	0.9
618.65186	0.6
619.30951	0.9
623.21387	15.0
624.21143	0.8
637.22913	2.2
637.32214	1.0
637.68567	0.7
655.24103	19.3
655.34198	1.3
656.23828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63781	0.2
55.01874	0.3
59.01379	9.1
61.98825	1.7
69.48900	0.5
69.49248	0.6
71.01382	3.1
73.02937	1.0
76.06075	0.3
85.02950	1.5
89.02438	0.6
95.01376	0.4
95.34765	0.2
97.18784	0.2
98.22579	0.3
99.00855	0.3
101.02444	2.1
112.01658	0.3
113.02442	1.7
135.04541	0.5
136.05263	0.3
137.06111	0.2
149.06119	0.6
150.06866	9.9
151.07167	0.3
159.02946	0.6
159.71848	0.2
161.04562	6.1
162.04831	0.3
165.09183	1.1
179.05510	0.3
195.11778	2.5
215.91777	0.2
237.09328	0.5
239.10770	3.4
244.10555	0.4
271.13382	100.0
272.13699	4.1
287.12866	0.3
340.70691	0.3
433.18661	20.8
434.19067	1.1
595.25793	1.6
655.27081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82905	1.0
59.01378	100.0
61.98841	2.2
71.42435	1.2
74.77659	1.1
75.15077	1.0
75.83744	1.0
77.45817	1.0
78.95898	10.3
82.51361	0.9
82.77999	1.0
96.96952	1.3
96.99303	9.0
121.21349	1.0
141.01701	71.6
152.99580	9.6
154.52530	0.9
156.42165	1.1
212.20325	1.1
218.62608	1.0
219.06230	1.0
241.01180	2.2
261.67648	1.1
273.39987	1.1
275.06195	1.7
277.21869	2.5
279.23337	8.4
314.07202	1.2
345.00967	1.0
359.22260	1.2
377.25403	1.1
388.19574	1.1
535.27759	1.3
577.93488	1.2
595.29126	15.1
597.29218	3.2
659.82574	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	655.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	0.7
61.98827	9.9
71.41862	0.6
80.56272	0.6
96.99310	4.6
127.02493	0.8
131.11771	0.6
141.01695	69.7
146.40051	0.6
202.70792	0.6
209.11835	0.8
225.01424	0.6
275.06320	1.2
277.21872	1.6
359.22168	1.7
472.14688	0.6
535.27771	1.4
587.06171	0.7
595.30182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
61.98800	0.3
64.10255	0.2
71.01381	1.3
77.68941	0.2
78.18603	0.2
80.02700	0.6
81.03439	0.6
82.95410	0.3
83.05023	3.0
84.02151	0.2
85.02930	0.3
89.02436	1.3
95.05024	0.4
98.12646	0.2
98.22636	0.7
101.02410	1.2
109.06597	0.3
113.02438	0.8
119.03486	0.2
135.08157	0.3
137.02455	0.3
143.03505	0.3
144.32648	0.2
154.80927	0.3
161.04576	0.6
163.11313	2.0
165.12827	1.7
179.05540	0.4
181.12354	0.5
191.10828	0.4
207.10245	0.3
209.11827	100.0
210.12164	2.8
211.13345	0.3
225.11398	0.4
227.12885	7.3
227.15056	0.5
235.08232	1.0
253.09279	4.2
271.43265	0.3
415.21906	0.2
445.20728	1.1
637.32288	0.4
641.52209	0.2
655.32947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19113	0.2
51.34954	0.2
54.24788	0.3
59.01378	2.0
61.98824	0.7
70.86790	0.4
71.01373	1.5
71.82814	0.3
73.02943	0.6
77.89265	0.3
80.02672	0.4
81.03456	0.4
83.01350	0.3
83.05025	1.8
84.33488	0.3
85.02941	0.4
87.00863	0.4
89.02438	1.0
89.76622	0.3
95.05023	0.3
101.02431	1.6
113.02470	0.7
135.08179	0.4
145.05067	0.4
161.04546	1.1
163.11264	1.7
165.12830	1.0
179.74675	0.2
187.61798	0.3
191.10777	0.5
207.10255	0.3
209.11816	100.0
210.12161	3.3
227.12872	5.8
235.08240	3.2
236.13943	0.3
253.09241	4.5
278.25717	0.3
396.18753	0.3
445.20712	1.2
579.75183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.2
61.98831	22.2
63.02373	0.6
65.81214	0.6
69.56889	2.5
83.80508	0.6
85.02982	0.9
93.03463	1.2
98.21880	0.8
104.01416	0.6
105.93288	0.7
107.01402	1.2
125.02370	0.6
125.94656	0.6
129.48279	0.8
135.00870	0.9
138.56352	0.7
141.01651	1.4
143.05103	0.8
146.06105	1.0
150.03218	0.9
151.00340	2.3
153.01961	0.8
163.00371	1.8
164.04228	0.7
165.05569	1.5
185.06128	1.8
187.03952	1.2
189.05579	0.6
191.05653	5.5
192.06006	0.8
195.06653	1.5
211.03929	1.3
212.93994	0.6
213.05447	1.1
227.03499	20.1
228.03922	0.7
229.05016	6.3
239.03548	0.9
255.02966	32.6
256.03610	3.9
257.00079	0.8
257.04520	4.0
284.03259	52.6
285.04037	63.3
286.04340	1.8
463.10428	0.7
464.10153	1.3
593.15125	100.0
594.15454	4.6
617.52185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
60.69670	0.4
61.98829	23.4
71.42934	0.4
73.02991	0.7
85.02941	0.6
89.02454	0.7
93.03467	1.7
101.02418	1.1
101.09569	0.4
107.01408	1.5
109.02999	0.5
113.02450	1.2
116.92855	2.8
117.92892	1.0
135.00941	0.8
137.02419	0.8
150.03253	1.1
151.00366	2.0
153.01825	0.5
159.04512	0.6
163.00378	2.2
165.01950	0.8
165.05547	1.2
169.06604	0.5
169.65105	0.4
183.04599	0.4
185.06104	1.8
186.40974	0.4
187.04025	1.5
189.05592	0.8
191.05656	1.1
195.04524	0.5
195.06631	1.2
199.03938	0.6
201.05629	0.5
211.04037	1.5
213.05527	1.3
227.03502	20.7
228.03888	0.8
228.07530	0.6
229.05025	8.5
239.03543	1.4
240.04257	1.0
241.05136	1.0
243.02853	0.8
255.02989	38.2
256.03677	3.3
257.04556	4.8
267.02863	0.5
267.15253	0.6
284.03262	56.2
285.04025	72.3
286.04379	2.3
327.04849	0.9
399.86145	0.5
462.66150	0.4
593.15106	100.0
594.15613	5.6
612.26971	1.0
613.27179	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	656.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01377	12.5
60.10945	1.3
61.98819	4.1
64.84682	1.2
71.01364	3.0
73.02964	1.5
83.01385	1.6
85.02943	2.1
93.03460	3.2
96.00905	5.9
96.04530	2.2
98.01230	1.6
99.02052	1.5
109.04057	4.4
111.05643	32.8
113.02445	2.3
116.92938	1.8
122.06109	1.8
129.10359	1.3
135.04546	2.1
135.99036	1.6
136.05302	1.5
137.07207	5.0
139.04015	3.5
144.04578	4.9
152.58611	1.8
153.06589	3.5
155.03760	11.2
155.08257	65.2
156.08673	1.4
157.05356	4.1
161.02364	1.4
161.09703	2.4
163.05251	1.9
163.08852	1.7
165.06696	2.7
165.10394	9.2
166.08722	6.4
167.08247	4.2
168.04581	2.3
169.04028	6.6
171.05623	8.1
173.04520	2.6
183.05643	2.0
184.04170	2.6
187.11322	3.0
191.05597	3.3
191.08276	4.0
197.04796	2.2
205.12383	1.8
209.09323	7.3
209.11676	2.5
211.05101	19.5
212.05878	3.0
225.06628	4.6
244.07635	1.5
246.09227	40.0
258.21613	1.7
263.11844	3.6
268.12109	2.7
272.10828	2.7
273.11218	2.5
282.09201	2.3
290.08231	3.6
300.10254	11.9
322.08368	2.3
343.55154	1.7
428.19794	4.3
446.17136	2.0
456.19232	22.7
457.19562	1.9
471.20535	3.9
495.33234	3.9
500.18192	15.9
540.26563	1.6
550.24036	1.9
568.25793	11.6
612.24609	82.4
613.25165	4.3
655.33423	3.1
656.23633	100.0
656.33679	9.0
657.24121	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	656.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53155	0.2
52.70664	0.2
54.79906	0.2
55.01867	0.3
59.01378	100.0
60.01702	0.8
67.01904	0.4
70.51955	0.3
70.52320	0.4
71.01380	4.9
71.35089	0.2
72.01752	0.2
72.99331	0.3
73.02946	1.3
78.92351	0.2
83.01388	1.0
85.02953	1.8
87.00906	0.4
89.02448	3.0
95.01392	0.5
97.02940	0.2
99.00888	0.5
101.02446	3.6
107.22763	0.2
110.00142	0.3
111.00925	0.3
113.02478	1.8
119.03510	1.2
119.05079	0.2
121.02969	0.6
122.03864	0.2
123.00912	0.4
123.04536	0.3
125.02441	0.6
137.99622	0.7
143.03488	0.5
153.01933	13.1
153.05516	0.3
154.02295	0.4
157.06618	0.2
159.03047	0.6
161.04562	1.2
163.04099	0.5
165.01926	0.3
171.04468	0.2
174.81491	0.2
177.01889	0.3
179.03505	0.3
179.05670	0.5
191.05684	0.2
197.04507	1.7
198.04996	0.6
232.62468	0.2
233.08185	0.2
238.08609	0.2
296.13501	0.2
305.97134	0.2
332.13553	0.2
355.83810	0.2
356.15048	0.2
396.64096	0.2
398.18155	0.3
402.15665	0.6
411.46466	0.2
484.19876	0.5
490.21155	0.8
501.19876	0.3
516.22156	0.8
519.18610	0.6
521.20514	0.8
522.20154	0.4
534.21967	0.4
546.19812	0.6
552.21173	0.6
560.21332	3.2
564.20551	1.5
566.22455	2.4
567.22937	0.5
578.22382	7.3
579.22852	0.5
582.21790	1.8
596.23462	14.3
597.23840	1.5
656.25494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.8
57.03465	1.2
59.01377	100.0
61.98828	9.8
69.35442	4.1
70.06560	0.9
71.01378	11.1
73.02947	1.7
79.64533	0.8
83.01399	1.5
85.02956	3.7
87.00856	2.2
88.98804	1.4
89.02437	9.3
89.40917	0.8
91.64039	0.8
96.96011	1.2
97.02964	1.1
99.92591	1.5
101.02432	7.1
107.81017	0.8
112.01686	4.4
113.02431	6.9
116.92855	14.1
117.92841	6.6
118.92716	1.1
119.03481	4.6
125.02416	1.6
127.04006	6.5
139.04056	2.1
143.03523	1.0
144.00690	1.4
161.04480	1.3
165.05548	1.5
167.03458	1.4
179.05614	1.7
181.05148	0.8
191.05685	4.8
193.04988	1.6
208.27689	0.8
210.63991	0.9
236.74431	1.0
306.83417	1.0
324.75177	1.2
416.20840	2.1
582.25507	1.2
596.27087	98.7
597.27618	5.2
656.28754	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
74.90507	0.3
83.93118	0.8
84.93885	1.0
85.94641	0.4
99.92581	100.0
100.92593	2.5
100.93359	7.1
110.95470	0.7
115.92079	12.3
116.92863	3.1
148.51955	0.3
154.94398	0.8
169.93140	0.6
287.03912	0.5
287.07379	0.5
305.04819	0.5
319.06451	0.6
334.16037	0.8
342.13019	1.4
344.14493	4.0
358.12341	0.6
360.13983	5.4
362.15530	46.6
363.15680	3.6
372.10239	0.3
374.11911	3.0
375.12601	1.4
376.13449	13.5
377.13843	1.0
380.16681	0.4
394.14417	0.4
638.36230	1.0
656.37292	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	657.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03461	0.9
57.31274	0.5
58.00588	0.8
59.01377	73.9
61.98822	0.9
69.47478	0.8
69.47850	0.8
71.01379	37.5
72.99317	1.2
73.02940	1.8
81.18285	0.5
83.01379	1.5
85.02946	6.3
87.00893	1.2
88.98831	1.1
89.02444	40.8
93.03466	1.2
95.01401	2.5
96.96001	1.5
101.02442	17.4
107.05029	9.3
113.02442	13.2
119.03500	14.9
121.02916	1.0
131.03485	1.7
135.95482	0.6
137.02435	0.8
139.03976	1.2
143.03476	3.3
149.04582	1.3
161.04559	2.4
169.03043	0.5
173.04564	0.6
179.05618	7.3
191.05621	1.8
225.05534	3.7
239.07187	2.5
240.07857	1.1
243.06659	1.3
250.48027	0.5
255.10242	22.7
256.10660	1.1
258.08966	1.3
273.11298	9.5
306.76352	0.6
389.92685	0.6
405.99081	0.6
435.16565	100.0
436.16901	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	657.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92089	0.4
59.01378	8.9
61.98825	1.2
71.01381	5.7
73.02939	0.7
76.95899	0.5
81.03419	0.5
85.02962	0.9
87.00880	0.7
89.02445	5.4
93.03465	1.0
96.96011	2.1
101.02444	3.9
107.05028	100.0
108.05360	1.4
113.02460	2.2
116.92838	0.8
119.03514	3.3
121.02981	0.6
125.02460	2.4
131.03477	0.6
131.40262	0.5
135.04503	1.2
139.03986	3.0
143.03505	0.6
151.04015	0.7
151.07588	0.5
161.04588	1.2
168.76205	0.4
173.04651	0.6
179.03746	0.5
179.05592	2.8
191.05626	2.7
221.06676	1.8
223.13376	0.9
223.68468	0.5
225.05574	1.2
239.07109	0.9
240.07950	0.9
255.10291	6.4
263.07996	0.5
267.12326	1.0
273.11319	62.2
274.11673	2.8
323.09814	7.6
330.72064	0.5
369.15604	0.9
429.17950	1.7
450.74500	0.6
587.50439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10891	0.5
59.01380	63.8
60.99313	0.7
61.98815	1.8
71.01382	1.0
71.41798	0.5
73.02927	0.6
85.02943	0.9
88.98801	4.8
89.02454	1.9
92.51180	0.5
93.03442	1.3
99.55925	0.6
101.02423	0.8
107.28188	0.6
113.02438	0.6
121.02976	3.7
133.02962	0.6
134.87254	0.5
135.04504	0.8
137.02455	3.5
151.03925	0.7
161.02484	3.1
163.04076	0.6
165.01935	34.6
166.02254	1.0
173.04515	1.1
176.04787	2.0
179.03493	10.3
179.40352	0.6
180.04280	30.8
191.05670	3.9
191.07146	0.8
193.04974	0.7
194.05827	8.8
195.06625	51.7
196.06897	1.1
209.08192	26.7
210.05348	8.0
210.08527	0.8
225.07680	100.0
226.08075	3.5
239.05933	0.6
241.02740	0.5
272.10541	2.1
273.11465	2.7
294.05078	0.6
307.89359	0.5
343.10733	0.6
353.06882	0.7
387.14383	1.2
435.16583	14.3
436.16541	0.7
669.59198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67664	0.4
59.01380	42.2
59.06520	0.4
61.56185	0.5
61.98820	0.6
71.01378	3.2
73.02935	0.9
83.01329	0.5
85.02957	1.8
89.02399	0.5
93.03461	4.2
101.02431	1.9
108.02153	1.5
109.02956	0.6
113.02436	1.9
121.02956	90.7
122.03863	2.6
135.04506	1.0
146.10062	0.5
147.04517	0.5
150.03220	3.1
151.07669	0.7
157.34995	0.5
161.04575	3.4
181.52931	0.5
257.08160	1.0
257.78513	0.6
258.08929	4.1
271.09793	1.3
272.10532	73.4
273.11295	65.6
274.11624	3.1
285.11398	1.4
287.12683	0.7
297.11340	1.4
315.12332	4.7
316.12387	0.5
327.12363	2.5
435.16571	100.0
436.16843	5.8
557.85693	0.5
566.72205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03461	0.9
57.31274	0.5
58.00588	0.8
59.01377	73.9
61.98822	0.9
69.47478	0.8
69.47850	0.8
71.01379	37.5
72.99317	1.2
73.02940	1.8
81.18285	0.5
83.01379	1.5
85.02946	6.3
87.00893	1.2
88.98831	1.1
89.02444	40.8
93.03466	1.2
95.01401	2.5
96.96001	1.5
101.02442	17.4
107.05029	9.3
113.02442	13.2
119.03500	14.9
121.02916	1.0
131.03485	1.7
135.95482	0.6
137.02435	0.8
139.03976	1.2
143.03476	3.3
149.04582	1.3
161.04559	2.4
169.03043	0.5
173.04564	0.6
179.05618	7.3
191.05621	1.8
225.05534	3.7
239.07187	2.5
240.07857	1.1
243.06659	1.3
250.48027	0.5
255.10242	22.7
256.10660	1.1
258.08966	1.3
273.11298	9.5
306.76352	0.6
389.92685	0.6
405.99081	0.6
435.16565	100.0
436.16901	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	657.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94487	0.1
59.01377	0.2
61.98829	100.0
91.46999	0.1
97.02726	0.2
116.92894	0.2
117.92886	0.2
173.04552	0.2
234.71701	0.2
339.12894	0.1
551.47864	0.1
597.26947	0.3
641.03259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55364	0.1
59.01376	0.2
61.98829	100.0
69.49796	0.4
70.43858	0.1
79.78026	0.1
95.73133	0.1
98.51943	0.1
110.15670	0.1
122.03612	0.1
165.05649	0.1
166.06351	0.1
184.51675	0.1
210.81708	0.1
237.40727	0.1
250.21521	0.1
287.12946	0.3
358.03839	0.1
449.18219	0.3
657.25305	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	657.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83132	1.7
59.01379	36.6
61.98820	6.3
62.36460	1.8
65.77332	1.6
69.03445	1.8
69.05968	1.7
71.01369	5.6
74.26717	1.5
80.05046	10.1
83.05012	3.9
85.02956	4.0
87.00886	2.0
89.02439	4.6
93.03457	2.0
94.06601	1.9
101.02424	5.3
104.05051	5.4
106.06630	2.8
108.04543	9.9
113.02425	5.2
120.04552	71.2
120.08154	2.4
122.06129	25.8
126.90386	1.9
131.03918	1.6
132.04527	4.0
134.06146	9.2
137.44705	1.7
138.05635	14.8
139.03990	5.5
148.04028	5.9
150.05643	22.6
150.06769	4.3
152.07159	9.0
160.04057	4.8
160.06444	11.5
161.04688	2.9
163.11224	3.4
168.06659	19.4
171.10281	2.3
173.04538	4.8
174.05547	5.7
190.05098	4.1
191.05600	6.8
209.11829	68.0
210.12170	28.1
211.13338	14.9
213.10320	43.7
223.08766	4.1
225.10301	5.9
226.11082	5.2
227.12891	11.5
231.11423	2.2
235.08427	3.2
237.10268	3.3
239.11870	29.1
241.13448	26.4
243.11343	3.3
251.08273	1.8
251.11815	5.9
253.09438	5.4
261.12384	3.9
263.08182	4.8
265.09979	2.9
277.09698	2.5
279.11600	2.4
281.09283	7.0
285.12445	87.1
286.12708	2.7
291.07861	2.8
293.09518	3.7
293.12949	12.9
301.12268	2.1
309.08774	3.9
311.10364	15.0
312.10904	2.2
316.14465	3.3
321.08707	3.9
323.10397	4.2
328.10855	5.2
329.11307	5.4
330.12610	2.5
332.17725	4.3
339.09836	22.0
340.14633	4.8
341.11411	6.4
342.12344	6.5
343.13171	6.2
344.13925	3.3
353.11340	2.9
357.14841	4.1
358.15625	31.0
359.16223	3.3
366.12143	2.9
370.11658	3.0
370.15604	2.5
371.12433	10.1
383.12329	2.2
384.13449	8.2
385.14035	3.6
397.14081	2.5
398.14944	8.0
400.16702	27.6
401.16974	3.4
410.14865	4.0
412.16550	7.3
495.16614	1.9
495.36511	4.4
521.21844	4.4
533.22083	3.7
535.23291	2.4
539.22949	6.3
551.22894	26.0
553.33411	2.1
557.23352	2.2
563.22955	62.0
564.22974	6.0
581.24048	51.4
595.21802	21.3
607.21875	48.1
608.22321	4.6
625.22955	100.0
626.23486	8.0
627.24597	9.6
627.88904	2.0
639.24347	19.5
639.33240	1.9
640.25305	2.5
657.25452	25.5
657.35095	11.9
658.25592	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	657.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
57.05641	1.4
58.07920	1.2
59.01378	18.1
61.98839	9.7
63.28476	1.4
68.75159	1.3
68.99575	9.7
69.03413	1.3
71.01377	9.0
73.06924	1.2
76.16174	1.3
79.52603	1.2
81.03439	1.6
83.01364	2.3
83.05000	3.3
84.02114	1.5
85.02946	4.1
87.00893	1.6
89.02436	6.0
93.03469	2.7
95.05009	1.6
97.02933	3.8
97.06562	4.9
99.00877	1.4
99.92553	1.9
101.02429	6.6
108.19695	1.4
109.06593	18.4
112.98544	8.2
113.02442	4.5
135.04439	1.5
135.08122	1.8
137.02423	2.4
145.05017	1.6
151.11281	14.2
161.04572	2.0
163.11266	7.1
166.13144	1.3
169.12337	71.1
170.12634	1.9
171.10284	3.2
173.04482	1.5
181.12283	3.0
191.05562	1.5
195.10275	1.8
199.13376	1.4
207.10251	25.5
207.62506	1.3
209.11829	29.6
210.12138	5.1
210.57974	1.3
211.13423	22.8
213.11325	10.5
225.11305	10.6
227.12820	5.4
228.13116	1.6
235.08173	2.0
253.09233	6.9
267.81967	1.4
359.21881	2.1
377.23648	1.6
403.24759	1.5
431.19409	2.2
449.20251	7.5
461.19910	3.0
639.30627	6.5
657.31238	100.0
657.39966	3.6
658.32458	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	657.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84449	0.4
57.03446	1.2
59.01377	5.8
61.98826	1.1
67.01873	0.6
69.97077	1.3
71.01366	1.8
75.16444	0.4
83.01333	0.5
85.02929	0.9
87.00858	0.7
87.02782	0.5
88.98795	0.5
89.02438	1.1
93.03437	0.9
96.95998	1.0
101.02426	0.8
106.67278	0.5
107.01342	0.7
113.02427	1.7
116.92835	0.8
120.04571	1.0
121.05290	0.8
121.06534	0.8
122.03694	1.3
122.06143	3.5
125.02445	4.2
134.06084	1.2
135.04527	2.5
135.06830	0.9
136.05293	33.7
136.07611	5.0
137.06015	0.9
137.09753	1.0
139.03955	1.2
147.08131	1.1
149.06090	6.7
150.06868	4.6
151.00325	1.6
152.07150	1.0
161.07222	0.6
162.06828	2.6
163.07623	2.2
164.08452	4.2
165.09201	18.9
171.11673	0.6
179.10765	0.9
186.06918	0.6
190.05141	1.1
191.05565	1.9
198.09218	0.5
199.09897	0.8
209.11795	1.6
211.13417	1.6
214.07396	0.5
214.12302	4.8
227.08223	1.5
227.10503	0.5
229.09793	1.2
230.11850	2.0
241.09756	2.6
242.10587	7.0
255.11462	0.6
257.12946	37.5
258.13284	2.2
265.21622	1.0
297.15042	0.8
301.11926	54.2
302.12201	3.5
309.04147	0.7
315.15884	0.9
329.23230	7.1
343.15646	0.8
355.12982	3.1
362.76797	0.5
369.13315	3.1
378.80801	0.6
416.29263	1.0
431.31555	1.2
434.30301	4.3
448.31888	0.8
449.32675	14.7
450.33014	1.6
467.16580	0.5
476.31375	1.5
477.15643	0.6
477.32266	2.8
494.32407	3.2
495.16837	5.8
495.33139	31.1
496.33658	2.1
582.64630	0.7
590.83832	0.5
639.20685	0.8
657.22906	3.9
657.38489	100.0
658.22363	1.0
658.38898	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	657.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28915	0.2
57.03431	0.6
59.01369	2.6
61.98831	1.5
69.03448	0.3
71.01376	0.7
73.02945	1.2
82.95425	0.4
83.01369	0.4
85.02995	0.3
87.00881	0.3
88.98807	0.3
89.02451	0.4
93.03475	0.3
94.86413	0.2
94.98068	0.5
96.96001	0.3
101.02443	0.7
107.05037	0.5
111.04510	0.4
113.02462	0.7
113.09743	0.8
119.05029	0.3
121.06595	1.3
122.03711	0.8
123.04520	0.4
123.08168	0.5
129.12726	0.2
135.04506	1.1
135.08202	0.3
136.05295	30.1
137.06143	1.2
137.09584	0.4
139.03976	0.6
139.53497	0.2
147.08138	0.9
148.05348	0.4
149.06082	3.7
150.06876	3.1
153.09315	0.3
162.05319	0.2
162.06837	0.9
163.07646	0.4
164.08427	2.2
165.09200	39.8
166.09573	1.3
167.10796	0.3
173.04510	0.5
179.03448	0.3
179.05772	0.3
191.05605	1.4
207.10303	0.4
209.11884	0.3
216.13646	1.7
219.57205	0.3
256.55603	0.2
271.09839	0.5
274.15787	0.5
289.17868	0.4
292.16855	1.3
307.19116	5.4
308.19415	0.3
321.20834	0.3
336.19366	1.1
423.30344	0.2
477.32098	1.1
480.31064	0.6
493.31671	0.6
494.32571	1.0
495.33246	100.0
496.33554	7.8
657.28033	0.3
657.38647	5.3
658.38483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28915	0.2
57.03431	0.6
59.01369	2.6
61.98831	1.5
69.03448	0.3
71.01376	0.7
73.02945	1.2
82.95425	0.4
83.01369	0.4
85.02995	0.3
87.00881	0.3
88.98807	0.3
89.02451	0.4
93.03475	0.3
94.86413	0.2
94.98068	0.5
96.96001	0.3
101.02443	0.7
107.05037	0.5
111.04510	0.4
113.02462	0.7
113.09743	0.8
119.05029	0.3
121.06595	1.3
122.03711	0.8
123.04520	0.4
123.08168	0.5
129.12726	0.2
135.04506	1.1
135.08202	0.3
136.05295	30.1
137.06143	1.2
137.09584	0.4
139.03976	0.6
139.53497	0.2
147.08138	0.9
148.05348	0.4
149.06082	3.7
150.06876	3.1
153.09315	0.3
162.05319	0.2
162.06837	0.9
163.07646	0.4
164.08427	2.2
165.09200	39.8
166.09573	1.3
167.10796	0.3
173.04510	0.5
179.03448	0.3
179.05772	0.3
191.05605	1.4
207.10303	0.4
209.11884	0.3
216.13646	1.7
219.57205	0.3
256.55603	0.2
271.09839	0.5
274.15787	0.5
289.17868	0.4
292.16855	1.3
307.19116	5.4
308.19415	0.3
321.20834	0.3
336.19366	1.1
423.30344	0.2
477.32098	1.1
480.31064	0.6
493.31671	0.6
494.32571	1.0
495.33246	100.0
496.33554	7.8
657.28033	0.3
657.38647	5.3
658.38483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21164	0.8
55.78342	0.7
58.10735	0.8
59.01373	1.7
69.66383	0.9
71.40831	0.8
74.02473	2.8
79.85263	0.8
84.48958	0.8
85.02957	9.6
87.00883	1.6
93.03485	4.6
93.04012	0.9
99.05652	2.1
105.03417	1.0
107.05095	0.9
109.01176	1.5
109.02970	1.1
116.96509	0.9
123.04583	0.8
127.04020	2.9
128.03548	5.4
132.02220	1.0
133.02951	2.8
133.09254	0.8
137.00681	3.4
139.02205	1.0
143.04652	6.0
145.06236	1.0
151.04056	1.4
151.69901	0.8
160.01656	5.9
165.00134	7.5
165.05568	2.5
167.01711	12.7
167.07138	3.5
171.02925	1.0
173.04565	1.8
179.04683	1.1
191.05620	100.0
192.05956	2.8
192.99644	67.1
193.99974	2.2
210.08841	1.1
211.00742	4.3
254.07854	2.2
257.00330	0.8
268.02890	1.0
272.08917	12.0
273.11377	2.5
274.11810	1.7
385.05969	38.8
386.06229	1.0
436.16888	1.4
466.09335	8.6
467.10040	0.9
517.44946	0.9
548.68951	0.9
614.96082	1.0
658.15466	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	658.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09518	0.4
58.02963	0.9
59.01358	1.2
59.18867	0.6
67.24456	0.5
71.01374	0.9
72.50555	0.5
74.02467	1.9
85.02946	9.7
86.02498	0.6
87.00870	2.1
87.41311	0.5
93.03450	5.0
97.04127	0.5
99.05655	1.1
101.07222	0.7
105.03427	0.7
109.01141	0.6
109.02940	0.9
111.04510	1.3
127.04015	2.7
127.04848	0.5
128.03529	4.3
132.02150	0.8
133.02963	3.8
135.04555	1.0
137.00693	3.5
139.02213	1.2
143.04620	6.2
145.06195	0.7
145.42416	0.6
160.01678	5.2
161.02493	0.8
165.00159	7.6
166.77910	0.5
167.01720	9.8
171.03011	0.5
173.04514	2.5
177.01997	0.9
179.04675	1.1
191.05612	100.0
192.05928	2.4
192.99640	60.6
193.99977	1.8
210.08823	0.7
211.00751	4.1
215.05524	0.9
254.07893	2.3
268.03073	0.6
272.08853	11.1
306.07440	0.7
351.07159	1.7
353.08633	1.5
385.05963	31.7
386.06192	0.9
430.34961	0.5
466.03076	0.7
466.09222	9.3
511.76318	0.6
658.15552	9.0
659.16132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
63.69414	0.5
69.03457	0.6
69.45912	1.9
71.01360	0.8
73.02940	0.6
74.02480	1.8
82.40941	0.5
85.02961	8.2
86.02447	0.8
87.00885	1.7
93.03460	4.5
99.05643	1.0
100.67432	0.6
105.03476	0.8
105.99590	0.5
107.05022	0.7
109.02942	1.2
111.04521	1.4
112.75584	0.6
114.67440	0.5
121.02988	0.8
123.04498	0.5
127.04028	2.1
128.03528	5.3
132.02177	0.7
133.02972	4.1
135.04539	1.3
137.00671	2.7
143.03630	0.8
143.04643	6.2
146.04663	0.6
158.86847	0.5
160.01672	4.1
161.02376	0.6
165.00146	6.2
167.01743	11.1
168.02040	0.6
170.03374	0.7
173.04581	2.1
177.01886	0.9
179.03339	0.7
179.04680	1.1
181.66853	0.5
184.79774	0.5
191.05620	100.0
192.05928	2.9
192.99644	60.3
193.99973	1.9
197.04507	1.2
210.08807	1.7
211.00723	4.2
215.05692	1.2
254.07817	1.7
268.03098	0.5
272.08878	12.4
306.07584	1.3
307.08212	0.5
325.34961	0.5
351.07205	2.3
353.08615	1.8
375.06775	0.9
385.06000	36.7
386.06210	2.3
446.68384	0.5
466.09149	10.2
467.09689	1.0
658.15576	9.9
659.15997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75998	0.8
59.01371	1.1
61.98827	2.5
71.01369	3.9
72.03274	0.8
73.78460	0.9
76.87469	1.0
82.93362	0.8
86.91402	0.9
93.03444	1.4
96.96007	1.1
107.04977	1.8
185.06006	2.9
191.05533	2.2
223.07664	1.5
227.07152	2.9
239.07101	6.6
250.06299	2.3
250.08696	1.8
253.05029	10.0
263.10815	1.1
266.05789	1.4
267.06549	5.3
268.07401	1.0
273.08984	2.0
274.11942	1.4
275.07071	2.3
275.10309	1.0
277.04971	1.1
279.06451	1.0
281.08041	1.0
291.10223	1.4
292.13470	7.5
293.08249	1.7
293.11566	2.2
301.08655	3.3
307.09857	1.7
308.12909	3.4
318.11322	3.6
319.09808	5.3
335.09216	1.3
336.12396	33.5
337.12857	1.3
380.11392	100.0
381.11783	3.9
450.91534	1.1
497.27664	2.0
531.18713	1.4
658.25378	1.7
658.36255	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	658.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52158	34.8
57.17022	40.3
61.98827	100.0
71.41985	41.0
120.95265	44.5
124.56254	38.7
169.75748	39.6
203.68008	45.9
209.30127	37.3
468.58786	41.1
644.94220	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	66.6
60.01698	0.5
67.20094	0.4
68.12344	0.4
69.01562	1.5
69.01991	1.6
70.67582	0.4
70.73730	0.3
90.97112	0.6
98.22713	0.9
114.89422	0.5
127.08376	0.4
132.98178	1.7
136.23143	0.4
150.94760	0.6
157.03578	1.7
159.01524	1.1
174.99246	26.9
192.95856	4.8
201.02542	15.4
202.02670	0.5
208.63383	0.4
217.00293	100.0
218.00636	1.1
254.97290	0.5
343.03531	2.0
359.01459	36.1
360.01523	0.7
374.99197	54.1
375.99478	0.8
501.02292	0.6
517.00354	10.9
518.00812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
67.01862	1.0
71.01366	1.7
72.65006	0.6
74.02489	0.8
85.02940	4.8
87.00871	2.5
93.03460	7.8
105.03453	1.2
109.02946	2.9
111.04516	1.3
121.02970	1.8
123.04453	1.1
127.03983	2.2
133.02953	11.2
135.04541	6.2
140.50166	0.8
143.04666	0.8
153.05594	1.2
161.02432	3.0
165.00160	1.1
167.01849	0.6
167.03485	1.3
173.04543	6.2
177.01878	4.1
179.03502	4.0
191.05600	100.0
192.05965	5.3
192.99608	4.3
193.99939	2.0
197.04590	4.1
203.03445	0.9
215.05598	5.7
229.01402	1.9
233.27185	0.7
255.61507	0.7
272.08737	1.5
273.09137	0.8
293.04321	0.9
295.06281	1.9
307.08298	2.1
321.03967	1.2
339.05096	4.9
351.07202	13.3
352.07941	0.8
353.08746	8.7
356.23373	0.8
375.06882	2.2
385.05859	2.1
386.06238	3.0
467.09485	3.7
659.15942	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	659.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
67.01862	1.0
71.01366	1.7
72.65006	0.6
74.02489	0.8
85.02940	4.8
87.00871	2.5
93.03460	7.8
105.03453	1.2
109.02946	2.9
111.04516	1.3
121.02970	1.8
123.04453	1.1
127.03983	2.2
133.02953	11.2
135.04541	6.2
140.50166	0.8
143.04666	0.8
153.05594	1.2
161.02432	3.0
165.00160	1.1
167.01849	0.6
167.03485	1.3
173.04543	6.2
177.01878	4.1
179.03502	4.0
191.05600	100.0
192.05965	5.3
192.99608	4.3
193.99939	2.0
197.04590	4.1
203.03445	0.9
215.05598	5.7
229.01402	1.9
233.27185	0.7
255.61507	0.7
272.08737	1.5
273.09137	0.8
293.04321	0.9
295.06281	1.9
307.08298	2.1
321.03967	1.2
339.05096	4.9
351.07202	13.3
352.07941	0.8
353.08746	8.7
356.23373	0.8
375.06882	2.2
385.05859	2.1
386.06238	3.0
467.09485	3.7
659.15942	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	659.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11085	1.7
56.35668	1.7
57.03436	2.2
59.01364	10.6
59.27518	2.0
61.98834	9.8
67.34991	1.7
69.03438	2.4
70.82745	2.5
71.01376	10.0
73.02929	4.5
83.01370	2.3
85.02940	4.7
86.15272	2.4
89.02447	3.5
91.32570	1.6
93.40480	1.8
96.96006	2.4
99.00903	2.0
101.02402	8.9
108.02199	2.2
109.02923	1.9
113.02439	5.2
114.12759	1.8
123.04527	2.8
125.02428	2.6
133.56438	1.7
137.02448	2.8
152.01060	2.8
161.04512	2.9
167.03468	5.6
191.05545	5.3
194.05844	1.9
208.41916	1.9
305.04474	1.6
311.62537	2.0
335.22165	10.5
383.13556	3.1
390.03632	2.8
497.27496	17.9
623.17487	2.2
659.32837	100.0
660.32678	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01376	13.0
59.01844	0.8
61.98810	2.9
67.01880	0.8
69.89426	0.8
71.01390	6.3
73.02943	2.4
81.03469	1.7
82.95402	2.4
83.01360	1.0
83.05031	5.5
84.02161	1.0
85.02954	4.4
87.00876	2.3
89.02438	3.0
93.03458	4.7
95.05023	2.2
96.96021	1.6
97.06591	5.4
99.00858	1.4
99.92546	1.0
101.02455	5.9
110.49947	0.9
111.08139	1.0
112.98483	1.1
113.02451	4.7
116.92876	6.1
117.92846	1.3
118.34858	1.0
125.02420	0.9
125.09743	1.6
134.03731	1.9
135.04538	1.6
136.01683	1.4
137.02356	1.9
139.03932	1.1
143.80751	0.9
151.00349	3.1
151.11279	16.9
163.11281	2.8
164.01161	2.7
165.12863	2.4
169.12335	70.1
170.12642	1.8
171.10231	2.7
173.04593	7.9
191.05589	17.3
191.10777	1.4
195.10220	3.0
197.11852	1.9
199.04054	2.4
201.05579	1.1
207.10184	1.1
209.11823	64.7
210.12122	1.9
213.11301	9.8
215.07121	1.2
225.11273	0.9
227.03662	1.0
227.12906	6.2
229.08694	2.0
232.07404	1.6
235.08347	1.3
241.05171	1.3
241.08836	0.9
253.09340	4.4
269.77582	0.9
285.04135	4.8
286.04846	2.6
409.14957	1.1
431.19412	2.4
441.23120	1.1
448.10110	1.1
449.20383	6.4
467.20685	1.0
497.18085	11.4
497.75699	1.0
498.18655	1.2
545.29388	1.1
641.32495	2.6
659.32941	100.0
660.33545	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	659.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.43302	1.0
69.08897	7.1
80.63904	0.9
84.34529	0.9
96.99289	7.3
105.90512	1.0
107.78703	1.1
110.13906	0.9
135.82007	1.0
138.68082	0.9
141.01691	69.6
143.41571	1.2
210.26906	0.9
263.82483	0.9
331.79602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03013	0.5
52.66019	0.5
59.01375	100.0
60.01710	0.6
65.67017	0.5
71.44707	0.6
81.78630	0.6
96.99317	3.7
127.49689	0.6
139.97559	0.8
141.01694	67.6
142.01958	0.5
173.03024	1.0
201.99274	0.5
288.18524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25641	1.7
56.59658	1.6
61.98829	100.0
67.03858	1.4
69.53177	6.7
84.71341	1.7
93.03458	21.8
137.02446	49.6
181.76532	1.6
269.74200	1.7
459.14526	2.7
640.35449	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	660.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26625	0.9
59.01377	100.0
60.01722	1.3
63.39632	0.9
71.43761	0.9
78.95897	1.3
86.38017	1.0
102.38795	1.0
121.54205	0.9
141.01695	75.6
146.39650	1.2
212.86664	0.9
213.38252	1.1
238.17957	0.9
279.23254	4.3
504.31094	3.6
578.27399	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	661.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02555	0.3
55.01875	0.4
57.70097	0.3
59.01377	15.3
61.98820	1.1
69.03461	0.4
71.01376	3.1
73.02956	0.9
78.39095	0.2
81.03464	0.3
82.95425	0.8
83.01397	0.6
83.05017	0.3
85.02944	1.2
87.00913	0.3
89.02440	1.8
93.03439	1.5
95.01367	0.4
95.05030	0.6
96.96006	1.9
97.76773	0.3
99.00871	0.4
99.04547	0.3
101.02448	2.7
101.28966	0.3
103.00369	0.9
111.00871	0.4
113.02422	2.1
116.92905	0.7
119.05026	94.2
120.05348	2.1
125.02438	0.5
127.04007	0.5
131.03539	0.3
139.04013	9.5
143.03453	0.4
153.69246	0.3
159.03082	0.3
161.04520	0.7
161.13326	0.4
163.04008	100.0
164.04358	3.1
171.10298	1.8
173.04646	0.5
179.05504	0.3
183.95163	0.3
187.11285	2.2
191.05573	1.6
193.10666	0.3
197.11836	3.1
198.70076	0.3
201.11292	0.6
204.19681	0.3
205.12329	0.7
209.11841	4.3
211.13632	0.3
227.12791	0.7
249.11119	0.3
253.09309	0.3
257.03537	0.3
291.11957	0.3
293.25168	0.3
307.08200	0.5
325.09286	4.1
349.16037	0.4
363.20221	1.4
367.65381	0.3
378.74585	0.3
385.25632	0.7
445.20975	0.3
453.17670	0.6
466.29065	0.3
513.21210	4.7
514.21771	0.5
529.29779	0.5
547.31158	5.1
557.20135	1.9
558.20428	0.4
575.21216	1.2
617.22186	3.0
643.37512	0.3
661.36188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60898	0.3
53.69062	0.2
54.74399	0.3
55.20693	0.2
59.01378	11.8
61.98826	0.8
69.19244	1.0
69.19646	0.4
71.01378	1.4
73.02947	0.3
85.02956	0.6
89.02445	0.7
91.88611	0.2
93.03457	0.9
96.95992	1.3
101.02442	1.1
107.04995	0.3
113.02456	0.8
117.03465	0.3
119.05024	92.7
120.05343	1.8
137.02481	0.3
139.03954	1.4
161.13365	0.6
163.04002	100.0
164.04337	3.0
187.11250	2.8
191.05592	0.8
197.11646	0.2
205.12303	1.1
209.11801	0.5
231.09978	0.3
267.07446	0.3
288.45117	0.3
307.07965	0.5
325.09256	4.0
337.06860	0.3
349.16727	0.5
354.44748	0.2
393.15601	0.3
433.24200	0.5
453.17569	0.7
513.21265	4.8
514.21747	0.4
517.33691	0.2
547.30505	1.0
557.20245	2.9
575.21655	0.8
617.22253	4.3
617.31750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86729	1.3
59.01361	6.1
61.98814	6.2
71.01400	1.5
71.43429	1.3
72.01695	1.2
74.13309	1.3
89.07552	1.6
93.03460	6.2
96.96008	1.8
116.00391	1.4
116.79134	1.3
116.92836	5.2
129.98257	1.3
137.02443	8.5
149.02455	1.4
171.10321	2.7
191.05540	2.2
193.05101	1.8
197.11667	1.9
201.05606	3.2
209.11728	1.7
216.27641	1.4
217.05116	2.6
218.05699	1.8
225.11270	2.2
229.05070	7.2
243.02882	1.7
245.04453	4.9
257.04465	4.3
259.05936	1.8
272.06821	2.1
273.04037	4.3
273.07645	31.3
274.08511	1.6
275.09177	3.2
276.86401	1.5
287.05490	3.3
288.06345	1.6
289.07254	8.5
290.07666	1.8
305.06589	13.9
352.90836	1.4
356.15857	1.6
385.16135	2.0
393.07675	1.7
395.09265	2.9
405.07419	2.4
407.05502	2.6
409.07101	2.7
410.07745	2.3
411.08646	8.7
421.07019	16.2
422.07669	10.7
450.07541	4.5
453.09875	2.1
455.11166	9.2
465.09732	13.4
466.10590	9.9
483.10876	3.0
501.11301	1.7
509.12491	10.4
510.13248	2.5
527.13519	10.6
545.14404	4.6
563.15533	100.0
564.15991	8.1
629.32056	2.3
661.22809	70.5
661.32361	2.6
662.23071	7.0
675.06177	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	661.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76920	0.5
57.03453	0.5
59.01381	9.4
61.98825	1.5
69.07413	2.8
71.01385	7.6
73.02954	2.0
81.59015	0.4
83.01392	0.6
85.02942	3.5
89.02441	8.3
89.02940	0.8
93.03461	1.0
97.02951	1.7
98.21881	1.0
99.00882	8.3
99.40901	0.4
101.02462	3.2
106.04243	38.0
109.02990	0.9
113.02450	5.7
119.03513	1.7
120.22733	0.5
121.02979	0.5
125.02435	6.4
127.04004	0.5
131.03494	2.0
137.02457	1.8
138.03233	2.6
140.89589	0.6
143.03502	2.4
146.07382	0.5
149.04538	6.2
150.03232	4.3
161.04587	2.6
161.09723	64.0
162.10126	1.1
167.03511	0.8
173.04677	0.6
179.03456	0.5
179.05637	2.7
182.02187	1.3
191.05609	6.6
203.05640	0.7
205.08699	100.0
206.09010	2.8
221.06616	0.9
251.16483	2.7
275.07687	3.0
293.08795	8.6
335.09726	3.5
455.14047	32.2
456.14313	1.1
480.82486	0.5
661.23468	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	661.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80623	0.4
55.01844	0.6
59.01379	9.2
61.98813	1.5
69.59429	1.2
71.01379	7.1
73.02944	1.4
75.23043	0.5
83.01379	0.6
85.02927	2.8
85.04317	0.5
87.00844	0.9
87.07247	0.4
89.02441	10.4
90.06757	0.4
93.03453	1.2
97.02927	1.1
99.00890	7.6
101.02446	2.8
106.04243	34.9
107.04562	1.0
109.02959	0.6
113.02450	4.6
119.03477	1.2
121.02918	0.8
125.02431	5.4
127.03967	0.5
131.03506	2.7
137.02448	2.1
138.03218	2.5
143.03464	1.8
146.63522	0.5
149.04547	5.7
150.03224	4.5
155.03502	1.0
161.04591	3.3
161.09718	62.4
162.10045	2.0
167.03448	0.9
179.05646	2.3
182.02158	1.6
191.05634	6.1
200.61870	0.5
203.05518	1.0
205.08688	100.0
206.09036	2.3
251.16476	4.1
275.07709	3.1
285.08426	0.5
286.49219	0.6
293.05481	0.8
293.08691	7.3
305.13776	0.5
335.09842	4.4
391.61838	0.5
455.14063	29.1
508.98285	0.6
635.90594	0.7
661.23254	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	662.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
61.98816	2.8
64.54138	0.5
69.22520	2.7
71.72000	0.5
79.40230	0.6
82.95413	1.4
98.21827	0.9
128.03307	0.5
131.03749	1.7
135.11810	0.9
144.04543	6.0
146.06117	100.0
147.06461	2.2
173.37831	0.5
179.10822	2.5
190.05089	17.0
190.06781	0.9
191.05603	1.5
205.08641	0.6
249.20454	0.5
323.14777	1.0
334.09186	0.8
352.10187	1.6
371.37476	0.6
470.21893	1.0
514.20795	14.5
515.21136	1.1
558.19812	4.5
576.21039	0.7
618.22003	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	663.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34425	0.7
59.01377	8.2
61.98829	13.7
69.03445	4.6
71.01381	6.3
73.02954	0.9
81.03461	2.0
83.01379	1.0
85.02959	2.5
89.02454	2.7
93.03462	2.2
95.01385	0.9
95.05006	1.1
97.02982	1.2
101.02432	2.4
111.04529	1.1
113.02450	20.4
121.02979	3.1
122.03783	2.5
123.00900	1.0
123.04519	1.7
125.02444	2.0
134.17111	0.8
135.04507	1.0
136.01665	17.8
137.02469	4.5
139.04005	1.3
147.08263	0.9
151.00378	6.7
151.04008	35.5
152.04750	3.0
155.03514	1.5
155.20316	0.8
159.04469	0.9
161.02463	1.3
161.04546	2.1
163.03940	1.0
165.02003	0.8
165.40475	0.8
166.02715	24.7
167.03415	4.2
173.04549	4.4
173.05994	1.7
175.04036	0.9
177.01865	0.9
179.05623	1.6
179.10796	6.4
181.05064	35.2
182.05457	1.6
189.05574	0.7
191.05614	3.3
205.08699	1.4
209.04581	3.9
213.09155	1.3
223.06099	0.8
223.09824	1.1
229.08839	0.7
239.05618	2.1
257.08209	2.1
283.12140	1.2
299.09201	3.4
303.12396	7.8
311.09290	1.9
313.10904	0.8
323.09677	0.8
329.10019	1.3
341.10300	19.5
342.10672	1.2
353.59119	0.9
357.09769	6.4
363.08371	2.5
369.45834	0.8
371.11282	12.1
372.12164	7.3
387.14487	100.0
388.14694	5.6
401.12326	2.7
423.09576	1.2
443.13489	2.2
457.17160	10.7
461.14597	9.8
473.14453	1.5
483.11700	1.1
581.18781	14.9
582.18805	1.2
627.23193	5.3
663.21198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
59.85568	0.4
61.98823	0.4
63.70402	0.4
68.99820	5.0
69.03432	1.0
71.01376	1.7
73.02948	0.7
74.87057	0.3
85.02951	0.9
93.03451	0.4
97.16307	0.4
98.37849	0.3
101.02448	1.0
108.01458	0.7
108.02175	12.1
109.02958	2.3
113.02431	6.0
121.02950	0.7
122.03741	1.0
123.00868	1.3
123.04526	10.6
124.04902	0.4
131.03435	0.6
132.02171	1.8
133.02962	1.0
134.03740	28.0
136.01677	1.1
137.02457	2.1
139.03978	0.6
145.06555	0.5
147.04520	2.5
148.01654	0.8
148.05272	0.4
149.02310	0.6
149.04889	0.8
149.06079	10.1
150.03224	5.7
151.03931	0.5
153.05585	0.5
159.04520	0.8
160.01633	1.9
161.02408	1.0
161.04539	2.2
162.03220	1.4
163.03984	1.3
165.05482	0.5
173.02414	0.5
174.03253	1.9
175.03960	1.7
177.05573	2.8
178.02707	37.4
179.03067	0.9
188.04811	0.6
189.05550	2.6
191.05666	0.9
191.17958	0.4
192.04337	0.6
193.05049	80.6
194.05374	2.1
197.87173	0.4
217.05043	1.5
218.02165	0.8
225.44734	0.4
233.04559	3.1
263.05472	2.4
269.04611	0.4
275.07724	1.2
298.08466	1.7
299.09201	1.4
310.08975	0.4
313.10898	2.5
339.08719	0.7
340.85532	0.4
342.10855	0.5
343.11896	0.6
357.09756	4.7
357.13495	1.9
369.09622	7.6
369.13586	1.3
370.10205	0.6
387.10837	100.0
388.11185	6.4
429.11963	1.1
476.87234	0.5
543.28357	0.5
549.16003	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	663.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88619	0.2
56.63313	0.2
57.03449	0.7
59.01374	0.3
69.03442	0.7
71.01392	0.7
71.05016	4.4
85.02969	0.2
87.04506	3.2
89.02472	0.3
90.73872	0.2
97.02962	1.1
111.72608	0.2
113.02448	1.0
115.04009	51.8
116.04346	0.7
116.07191	3.3
126.49192	0.2
131.03539	0.3
141.01945	0.4
142.03957	0.5
142.05096	11.9
158.04610	2.3
159.02986	100.0
160.03381	2.3
160.06149	19.2
315.36868	0.2
503.16348	0.6
607.53943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.5
70.65966	0.5
71.05019	4.6
72.81286	0.3
73.61021	0.3
73.92081	0.3
87.04517	2.8
90.90012	0.3
97.02964	0.7
97.37686	0.3
98.01855	0.3
100.69512	0.4
113.02432	0.5
115.04009	49.2
116.04360	0.6
130.08716	0.3
156.08711	0.3
159.02985	100.0
160.03314	1.3
202.73164	0.3
241.37531	0.4
366.74670	0.4
378.33231	0.4
431.99948	0.5
550.75287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98845	0.7
66.27823	0.3
69.03454	4.5
70.75101	0.7
71.01376	3.5
73.02934	0.5
85.02940	1.4
89.02456	2.1
93.03489	0.4
94.84814	0.4
95.01352	0.4
101.02424	2.0
113.02448	18.3
119.03499	1.0
121.02934	2.5
122.03738	2.0
123.00842	0.6
123.04515	0.3
131.03493	1.1
135.36992	0.4
136.01651	17.8
137.02495	2.5
143.03438	0.4
149.06091	0.4
151.00374	6.5
151.03996	30.1
152.01022	0.8
152.04573	0.6
160.05252	0.4
161.04536	2.4
163.04097	0.4
166.02698	25.5
167.03314	1.1
175.04051	0.7
175.07617	0.9
177.01962	1.0
179.05624	1.9
181.05048	29.9
182.05351	1.4
188.04686	0.4
190.06422	0.5
191.05527	0.7
193.04976	0.4
205.08673	0.8
246.95215	0.4
282.05469	0.4
329.10248	1.0
357.09747	5.1
357.13757	0.4
369.13297	0.8
370.09097	0.3
372.12149	6.1
387.14462	100.0
388.14801	5.1
470.16818	0.4
525.98218	0.4
531.19257	0.7
549.19232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63129	1.1
57.03442	3.2
59.01378	74.3
59.05805	1.0
69.03453	8.1
70.29325	2.3
71.01375	36.2
73.02943	4.1
80.02677	1.0
80.30025	1.1
83.01387	2.2
85.02941	7.2
87.00896	2.2
88.75157	1.0
89.02444	39.4
95.01389	2.7
98.21900	1.4
101.02444	26.0
104.76691	1.0
111.39814	0.9
113.02449	39.3
119.03483	15.3
131.03468	1.9
143.03508	3.7
161.04562	6.6
179.05598	10.3
205.08702	1.8
225.15013	1.4
244.17340	1.0
387.20474	5.1
392.20609	4.9
501.19751	1.2
549.25519	100.0
550.25665	7.7
663.28668	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	663.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03442	1.9
58.00591	0.8
59.01377	90.2
69.03453	8.4
69.40186	3.6
71.01379	50.2
72.99316	1.4
73.02943	3.4
83.01382	3.0
85.02949	11.4
87.00866	3.0
89.02445	56.3
95.01385	2.6
96.95993	0.8
98.22616	1.4
99.00896	1.2
101.02441	29.4
111.00880	1.1
113.02450	49.4
114.02722	0.7
119.03500	24.4
125.02438	0.9
131.03473	3.1
137.09677	1.4
143.03459	4.7
149.04550	1.4
161.04559	6.9
179.05600	24.2
232.74174	0.8
287.51126	0.8
369.19293	1.6
380.37579	0.8
387.20401	4.6
549.25513	100.0
550.25787	7.0
590.09149	0.8
663.28601	11.5
664.29132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3356
Annotation	Vernonioside F1
Peak:m/z	Relative Intensity
56.44500	0.9
58.02965	2.2
59.01355	2.9
61.98822	5.4
69.17272	5.1
71.01366	1.8
72.00898	1.7
73.04066	10.5
74.02467	1.8
83.02474	1.1
84.00887	2.2
85.04068	1.1
87.05630	7.2
87.15572	0.8
88.04031	1.1
89.02420	1.3
91.05536	4.4
93.03407	1.0
99.01994	2.6
101.02410	1.3
110.02464	4.0
111.01980	1.2
111.05637	1.1
112.04038	1.8
113.02426	1.8
115.08778	8.2
118.06612	3.6
125.07169	2.7
126.06718	3.5
127.05128	0.9
129.05815	0.9
129.06697	12.7
129.10309	1.2
130.08684	1.5
135.04498	4.3
135.36240	0.9
137.07228	7.2
139.08826	1.8
141.06660	1.5
144.07771	7.1
146.06100	1.4
147.04495	5.1
151.08728	2.3
154.09831	5.8
160.82024	0.9
164.07169	11.9
166.93318	1.0
167.08215	2.4
168.07739	3.7
168.11383	2.0
169.06087	1.3
169.09804	2.0
172.10898	4.1
177.10297	6.2
179.05658	2.4
181.09821	2.1
181.13495	1.0
182.13049	0.9
183.11386	1.2
183.15082	0.9
186.08842	5.3
186.12466	18.7
189.10338	4.6
191.05598	2.6
193.13431	1.1
203.08356	1.3
207.14957	2.0
211.14494	3.5
221.09264	5.3
225.13623	7.9
228.17123	2.7
243.14540	1.9
251.09213	1.9
267.14578	14.1
267.18210	5.3
285.15659	10.4
285.19284	6.0
290.18637	3.5
293.08728	1.5
298.42047	1.0
316.16568	1.2
344.60495	1.1
351.21652	1.7
387.14343	3.8
389.25586	8.3
446.27515	3.4
468.24539	1.2
517.31451	1.3
559.32239	1.5
603.31403	8.6
633.32465	47.9
634.32764	2.3
645.32684	5.6
663.33545	100.0
664.33710	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	664.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99321	1.2
69.29998	6.4
71.01364	2.5
81.64336	1.1
82.95663	1.2
102.94967	1.3
105.98766	1.5
108.02167	46.0
113.02396	1.3
123.04516	19.5
128.33470	1.2
128.98210	1.4
129.70702	1.3
144.04530	6.6
146.06113	31.5
151.67285	1.3
152.01146	98.4
153.01569	2.1
162.05609	6.1
167.03488	100.0
168.03816	2.3
170.06235	1.6
172.04051	12.4
178.83014	1.6
186.05602	1.6
188.07074	2.3
190.05074	39.8
191.05389	1.4
204.06683	1.5
209.04425	1.6
214.05157	1.8
228.06569	1.4
232.06119	11.1
274.07211	14.6
300.02686	1.5
303.08752	3.6
334.09286	53.8
335.09851	1.4
424.12268	1.6
496.14572	23.1
502.13635	15.6
503.14389	1.9
620.67322	1.4
664.18848	45.2
665.19141	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32626	0.8
59.01381	5.5
64.41769	0.8
65.20933	0.8
66.16288	1.0
71.01378	4.3
78.34569	1.0
85.01044	1.0
85.02974	2.2
89.02423	2.2
95.01413	1.4
96.74791	1.0
101.02428	2.7
102.49712	1.0
108.02194	3.3
109.02943	2.6
111.00896	0.9
113.02431	2.5
115.01019	0.9
121.02928	1.0
123.00859	2.7
137.02428	6.9
149.02432	1.4
151.00371	15.0
151.04083	1.1
152.01184	4.8
152.04767	2.7
153.01950	2.4
161.04480	1.3
166.02708	54.4
167.03281	3.8
175.04015	1.1
177.01927	2.1
179.05708	1.2
180.38835	0.9
181.05061	65.8
182.05351	3.5
190.06357	1.2
193.04945	1.2
205.08690	2.3
268.02890	0.9
359.11145	2.2
387.10870	12.9
388.11374	1.1
402.13321	6.9
417.15543	100.0
418.15881	14.5
485.15250	1.5
503.15546	2.6
665.20703	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	665.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32626	0.8
59.01381	5.5
64.41769	0.8
65.20933	0.8
66.16288	1.0
71.01378	4.3
78.34569	1.0
85.01044	1.0
85.02974	2.2
89.02423	2.2
95.01413	1.4
96.74791	1.0
101.02428	2.7
102.49712	1.0
108.02194	3.3
109.02943	2.6
111.00896	0.9
113.02431	2.5
115.01019	0.9
121.02928	1.0
123.00859	2.7
137.02428	6.9
149.02432	1.4
151.00371	15.0
151.04083	1.1
152.01184	4.8
152.04767	2.7
153.01950	2.4
161.04480	1.3
166.02708	54.4
167.03281	3.8
175.04015	1.1
177.01927	2.1
179.05708	1.2
180.38835	0.9
181.05061	65.8
182.05351	3.5
190.06357	1.2
193.04945	1.2
205.08690	2.3
268.02890	0.9
359.11145	2.2
387.10870	12.9
388.11374	1.1
402.13321	6.9
417.15543	100.0
418.15881	14.5
485.15250	1.5
503.15546	2.6
665.20703	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	665.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.3
60.95707	0.8
71.01385	3.6
85.02948	1.3
86.74886	0.8
89.02448	3.6
95.01355	0.9
98.30019	0.9
101.02451	3.5
104.84413	0.8
108.02187	3.4
109.02968	3.2
109.62790	0.8
113.02455	2.0
121.02983	1.1
123.00878	1.9
125.02457	1.2
137.02441	8.6
139.41039	0.8
142.70924	0.9
149.02451	1.1
151.00360	16.6
151.04019	2.2
152.01164	4.4
152.04761	3.0
153.01956	1.6
161.09850	1.0
165.01994	0.9
166.02718	53.4
167.03358	2.8
167.60538	0.8
175.03934	1.7
177.01913	3.0
179.05621	2.2
181.05067	68.6
182.05388	4.3
190.06429	1.3
191.03511	1.6
191.05421	0.8
192.04333	1.1
205.03079	0.9
205.08723	1.8
207.06633	1.7
293.13791	0.9
341.10803	1.3
357.09348	1.2
359.11136	2.0
387.10806	13.7
388.11194	1.9
402.13147	8.2
417.15540	100.0
418.15829	15.8
485.15152	2.2
503.15598	1.9
612.83942	1.0
623.23065	0.8
665.20880	6.7
691.13104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48955	0.8
59.01376	12.0
69.03444	3.5
69.33001	3.3
71.01373	7.1
73.02935	2.8
78.49880	0.8
85.02949	3.7
89.02444	5.3
93.03482	1.6
96.96004	1.1
98.22713	1.4
100.49215	0.7
101.02444	4.6
101.13375	0.9
109.02977	0.9
111.00880	0.9
113.02450	14.4
116.92850	1.1
119.03526	1.2
119.05006	1.2
120.35880	0.8
121.02933	4.2
122.03731	4.1
123.04557	6.7
124.56515	0.7
131.03505	1.2
133.02991	3.6
134.03746	73.0
135.04562	7.1
136.01682	1.2
137.02469	4.4
139.04010	2.2
147.04478	1.9
149.02460	10.1
149.06087	20.5
150.03226	31.8
151.04008	26.1
152.04362	0.9
159.02985	0.8
160.01678	1.3
161.02338	1.2
161.04582	2.9
163.04018	1.5
164.04819	3.1
165.05568	38.1
175.04030	2.6
176.04788	3.4
178.02719	33.5
179.03215	1.4
180.04309	1.6
181.05058	10.7
191.05569	2.1
191.07176	5.8
192.04256	3.2
193.05052	82.3
194.05420	1.1
195.06618	11.7
207.06670	1.4
217.05008	0.9
235.06111	12.2
239.07022	1.6
245.09383	1.6
267.06738	1.5
275.07739	1.2
282.08963	5.5
283.09186	0.8
297.08136	0.8
297.11240	3.9
341.10281	18.2
342.10504	1.0
355.11627	1.2
357.10898	0.8
383.11407	2.3
389.12415	100.0
390.12772	3.5
396.76935	0.8
399.39975	0.8
431.13431	5.1
551.17780	86.4
551.26721	9.3
552.18237	5.9
561.28540	1.3
665.20740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40754	0.7
55.01872	0.6
55.86683	0.6
59.01376	6.6
61.90685	0.5
69.03434	2.0
71.01388	4.4
72.99294	0.7
73.02928	0.9
77.61816	0.6
85.02947	1.6
89.02422	2.4
93.03461	2.2
96.95978	0.9
98.21900	1.5
101.02417	1.7
113.02435	7.5
116.92868	0.7
119.03493	0.8
119.04976	0.7
121.02954	8.3
122.03731	3.8
133.02934	1.6
134.03740	58.9
135.04588	3.8
136.01643	0.9
137.02457	7.3
139.04018	1.0
147.04488	2.5
149.02429	10.8
149.06081	15.7
150.03221	35.5
151.03642	0.9
161.02420	1.0
161.04602	1.0
164.04797	3.0
165.05562	43.4
166.05847	0.9
178.02710	29.7
179.03400	2.6
179.05522	1.1
180.04277	3.0
191.05600	1.2
193.05049	100.0
194.05411	2.6
195.06615	25.3
207.06630	1.6
221.06157	0.7
228.76962	0.6
233.06062	1.2
234.06854	0.7
235.07858	0.8
239.06996	1.7
250.06393	3.0
264.09387	0.6
267.06598	2.0
282.08994	9.4
297.11255	1.2
341.10269	29.2
342.10776	1.3
389.12399	84.5
390.12756	4.9
551.17871	20.1
551.26624	3.8
552.18671	1.2
665.29877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37690	0.5
55.85064	0.5
59.01380	13.6
61.83207	0.5
61.98829	1.0
69.21575	2.0
69.21981	0.8
70.26431	0.6
71.01389	0.5
74.38017	0.5
78.95936	0.5
82.95422	0.6
96.96002	0.6
98.21892	1.3
101.02451	0.7
108.02175	20.0
108.76865	0.5
115.01968	0.5
123.04524	10.9
124.47990	0.6
146.06081	1.3
150.20244	0.5
152.01151	44.2
153.01636	0.8
161.13351	1.2
167.03494	100.0
168.03833	2.3
173.04573	0.6
187.11342	4.2
191.05598	2.7
199.35265	0.6
205.12367	1.8
315.12482	0.9
329.08780	1.1
335.22446	0.9
349.16571	0.8
349.58017	0.6
393.15387	1.0
416.17569	0.5
417.22537	1.1
433.05670	0.6
453.17487	2.8
517.20667	4.7
545.47772	0.6
561.19513	1.4
621.22058	3.3
665.29486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	31.8
61.98821	0.6
65.09815	0.4
69.03441	0.7
71.01381	7.8
71.41903	0.6
73.02943	2.4
81.03448	0.5
83.01393	1.6
85.02929	2.8
85.15386	0.4
87.00867	1.5
88.98750	0.5
89.02444	6.9
93.03432	0.4
95.01379	1.1
97.02963	0.5
99.00870	0.7
101.02436	6.8
107.05018	1.4
108.02168	20.8
108.02908	1.0
113.02433	6.1
116.92880	0.9
119.03513	3.1
120.80817	0.5
121.02917	0.6
122.03758	0.4
123.04523	10.3
139.03995	1.6
141.09256	0.7
143.03468	0.7
149.06184	0.5
151.04001	1.2
152.01147	43.1
153.01561	0.9
155.08237	0.9
159.02925	0.7
160.04044	0.5
161.04565	3.0
161.13376	1.7
164.07202	0.5
167.03491	100.0
168.03838	1.6
173.04514	0.6
178.02649	0.7
179.05591	4.2
179.10860	1.1
185.13298	0.4
187.11325	4.4
189.09143	0.9
191.05605	1.1
193.05045	1.4
201.04250	0.4
201.11279	0.5
205.12306	3.1
208.07141	0.5
217.14493	0.7
229.12245	0.9
233.13942	0.4
249.11273	0.8
273.11188	0.7
303.14075	0.6
315.12445	0.9
318.23273	0.5
329.08713	1.1
349.16330	0.7
359.17139	2.3
379.19730	5.1
389.15097	0.6
393.15585	1.0
453.17764	2.4
469.20645	1.0
517.20648	3.0
543.13794	0.5
551.31055	4.7
557.20776	0.4
561.19928	1.1
561.28979	0.8
579.21118	0.8
621.21558	2.1
665.24835	3.6
665.35004	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	665.2141
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
50.03111	2.6
55.01871	3.4
55.58178	2.3
57.03419	3.5
59.01375	100.0
66.57430	2.1
69.13039	13.0
71.01376	72.6
73.02927	5.4
74.79819	2.3
83.01376	4.1
85.02951	17.9
87.00858	4.0
89.02435	72.2
95.01376	5.2
96.08493	1.8
96.21973	2.1
99.00870	3.6
101.02434	42.1
101.74346	2.2
103.11709	2.3
111.00893	2.3
113.02448	39.6
119.03504	12.0
122.48367	1.9
129.01944	2.6
131.03487	6.3
143.03500	8.2
159.02985	4.6
161.04568	12.0
179.05583	39.1
323.09714	19.3
341.10873	21.3
391.86359	2.2
395.12012	3.1
485.15054	36.7
665.21375	84.6
666.21692	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	665.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42149	0.2
56.84263	0.2
59.01382	1.2
69.03453	0.9
70.19398	0.5
71.01381	1.8
73.02934	0.5
81.19202	0.2
85.02947	0.7
89.02446	0.6
90.55338	0.2
95.05051	0.3
98.22543	0.2
99.00877	0.3
101.02444	1.3
104.99695	0.2
113.02451	4.3
136.05301	7.9
137.05611	0.3
139.03989	0.3
161.04550	2.9
171.08109	0.4
173.04565	0.2
183.11780	0.5
188.43712	0.2
227.10767	100.0
228.11121	4.2
251.10835	0.3
292.35843	0.2
389.16049	24.4
390.16357	1.3
420.73865	0.2
507.06104	0.2
551.21332	0.4
641.90851	0.2
665.23560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98825	4.1
72.92380	1.3
82.16129	1.4
82.95417	6.0
103.90399	1.5
121.02999	1.7
122.03765	1.9
159.08138	6.1
177.09201	34.7
191.05602	4.6
214.07275	1.6
221.08170	62.5
294.69989	1.5
306.07642	2.4
341.13916	100.0
342.14389	4.8
354.08298	2.1
354.60519	1.5
381.21860	1.5
503.19193	36.9
504.19708	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	665.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56195	0.2
54.36922	0.2
55.01872	0.2
59.01385	1.6
61.98806	0.4
62.72496	0.2
69.40637	0.5
69.41026	0.3
71.01392	1.5
73.02934	0.5
78.99730	0.2
79.93179	0.2
82.95415	0.2
85.02937	0.6
85.43404	0.2
89.02412	0.4
101.02448	0.8
113.02438	0.7
149.06046	0.5
161.04550	2.1
164.08421	9.7
165.05537	0.2
165.08813	0.2
178.06422	0.4
191.05548	0.3
195.06746	0.2
240.11549	0.5
253.12296	0.6
255.13901	100.0
256.14230	4.9
257.46170	0.2
297.14993	0.5
399.18100	5.6
400.18304	0.6
417.19186	2.6
418.19128	0.3
459.20215	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	665.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01379	18.4
61.98822	1.3
62.64399	1.0
65.99838	1.3
69.61227	2.3
69.61591	1.9
71.01380	9.9
72.00899	3.5
73.02948	3.7
73.65981	1.1
74.48941	1.0
81.03491	1.0
82.06626	2.1
82.95374	1.0
83.01402	1.8
85.02941	4.5
87.00878	2.4
89.02439	7.0
91.05537	2.3
93.03460	4.1
95.01435	1.2
95.02502	3.3
95.05013	1.7
96.00920	5.3
96.04543	2.2
96.95969	1.9
98.01231	1.0
98.02475	3.1
101.02407	6.0
106.04273	2.0
107.05022	30.2
109.02964	1.0
109.44286	1.0
110.06120	1.1
111.01988	8.0
111.05650	3.7
112.04025	1.3
113.02427	6.9
113.03577	1.3
113.07207	1.9
114.62312	0.9
116.05114	1.0
116.92875	2.1
118.06635	4.5
119.03517	2.7
121.02954	3.7
121.03999	0.9
122.06105	4.1
123.04518	1.7
127.11224	1.1
129.10341	3.6
131.03523	1.1
134.03690	1.2
135.04541	1.6
137.07210	3.5
138.05600	1.8
139.03983	2.7
139.08795	4.6
140.03503	0.9
140.07143	2.0
143.03545	1.1
147.04524	13.6
151.04002	31.6
151.05214	1.6
155.08266	19.6
161.04535	2.7
163.03972	1.3
163.05148	3.9
163.08711	1.2
164.07144	20.9
165.06624	6.5
165.10347	4.3
166.08725	3.5
167.08258	1.8
168.09029	4.3
173.04488	1.7
177.09174	4.3
179.08229	2.0
180.11401	3.1
181.09938	1.8
190.06238	3.2
191.05574	3.8
201.11298	19.2
202.07475	2.3
207.07701	5.0
208.07268	9.6
209.09604	1.6
209.11790	10.8
217.13298	1.4
221.08209	7.0
227.12914	2.4
231.14949	1.6
233.16505	1.8
241.13356	1.9
242.11769	2.3
252.06380	1.1
253.09323	3.9
259.08646	1.0
259.14493	7.5
260.13907	3.4
277.15402	3.0
303.13507	14.4
304.12894	6.5
310.15530	2.0
311.14197	1.5
311.67709	1.2
333.15549	3.3
335.17023	1.7
341.13892	6.5
357.14532	4.6
365.18442	1.4
372.15622	9.8
398.56805	1.1
407.20862	1.8
426.20197	3.4
437.20157	2.1
452.18039	8.4
467.19235	1.9
469.20877	27.0
470.21454	1.6
503.19272	9.3
513.19629	3.5
517.20691	2.7
551.30768	6.6
561.29755	1.3
621.22845	1.3
621.34558	1.4
647.23645	9.4
665.24622	100.0
666.24872	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	665.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
57.03435	3.6
59.01378	100.0
61.98824	1.2
68.99804	0.9
69.03486	4.5
71.01379	59.1
72.99313	1.1
73.02943	16.4
74.02467	1.1
83.01398	6.5
84.71097	0.9
85.02455	1.7
85.02946	26.5
87.00414	0.9
87.00873	6.2
87.04523	2.9
89.02444	37.0
93.03477	1.8
95.01408	6.3
96.95998	1.9
97.02943	2.0
99.00897	5.4
101.02438	39.5
107.05015	1.1
109.02951	1.0
111.00849	1.4
111.04527	1.2
113.02448	35.5
113.06120	1.3
116.92789	1.0
119.03501	11.5
124.01669	1.0
125.02472	4.7
129.01941	1.5
131.03490	2.6
135.04550	1.8
137.02451	1.1
143.03493	6.6
149.04440	1.2
159.03004	3.0
159.08168	1.1
161.04559	12.6
165.05478	1.1
173.04471	1.1
175.04085	1.1
179.05659	7.3
181.05061	1.2
190.06398	1.1
191.05666	4.2
197.11819	1.7
203.07184	2.2
217.14449	3.9
248.46518	1.0
295.19205	1.1
311.77884	1.2
333.15594	2.8
335.17014	3.6
349.18640	6.6
359.14966	3.5
371.24347	3.1
377.18201	1.8
379.19711	26.4
389.16162	2.1
399.23788	3.5
417.25043	5.4
417.90323	0.8
457.24319	3.8
463.25430	1.2
475.25397	2.4
485.18127	1.3
493.26547	4.2
503.18503	1.6
533.30121	1.2
551.31592	8.6
561.29114	71.7
562.29584	2.1
579.30188	53.3
580.30847	2.3
605.03113	1.1
621.31244	17.0
625.32184	1.0
665.34918	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
57.03431	3.0
59.01379	87.4
69.03439	1.9
70.26884	2.2
71.01379	51.8
72.99310	2.1
73.02950	12.8
83.01392	6.9
85.02947	23.7
87.00862	3.7
87.04506	1.9
89.02446	29.0
95.01384	4.9
96.95975	2.4
97.02929	2.1
99.00862	3.1
101.02439	28.8
101.06065	1.8
102.84227	1.1
111.00897	1.0
113.02448	31.1
115.03960	0.9
119.03507	9.2
125.02424	3.9
129.01894	1.7
131.03448	2.4
143.03499	5.2
145.08716	1.9
159.02965	1.9
161.04529	11.0
179.05566	3.7
187.09789	1.7
191.05582	3.3
237.15739	0.9
379.19760	5.4
399.23746	5.4
417.25037	6.4
551.30597	2.4
561.29126	100.0
562.29565	4.7
579.30225	62.7
579.71893	1.2
580.30499	3.2
621.21796	1.5
621.31281	19.8
665.36456	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	665.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	57.3
69.03443	6.8
69.37413	3.3
69.81113	0.7
71.01381	32.3
72.99290	0.8
73.02932	3.4
80.72988	0.7
83.01373	2.2
84.02177	0.9
85.02944	6.1
87.00845	1.3
89.02444	30.5
95.01379	1.4
97.15466	0.7
101.01798	1.2
101.02438	18.4
103.75673	0.7
113.02444	31.6
119.03500	11.4
121.03029	0.8
131.03511	1.2
134.03746	11.8
143.03502	2.5
149.02382	1.6
149.04520	1.4
149.06029	2.6
150.03232	7.3
161.04535	3.6
165.05562	9.3
178.02692	6.5
179.05568	5.9
193.05060	27.7
194.05356	0.7
195.06633	5.4
196.06812	0.8
234.37260	0.8
239.48099	0.7
371.20715	0.8
389.12454	8.9
389.21609	1.9
511.63812	0.8
551.18158	6.5
551.27008	100.0
552.27350	5.9
665.30292	12.2
666.30731	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	666.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51777	0.3
57.57832	0.3
58.85143	0.3
60.99288	0.5
69.40903	1.4
70.65160	0.3
71.01378	12.9
78.01096	0.6
85.02953	0.6
88.98808	1.0
89.00333	0.9
91.01912	0.7
106.00576	1.5
115.00367	6.6
116.00741	0.3
120.98544	0.4
121.02951	30.9
123.00881	1.4
125.02428	1.4
127.00391	0.7
138.03232	3.4
153.05568	23.8
154.05890	0.6
166.99850	1.1
182.02203	4.3
191.05618	3.2
193.05016	0.4
197.04536	100.0
198.04893	2.2
280.48401	0.4
289.07132	0.9
313.05667	6.8
353.08679	0.5
377.20465	0.3
381.70700	0.3
407.07715	0.8
408.81271	0.3
425.08820	0.7
450.42349	0.3
577.13806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55367	0.2
52.60007	0.2
56.63781	0.2
67.33353	0.2
71.01378	12.1
76.43173	0.2
78.01121	0.7
83.01394	0.3
89.00328	1.6
91.01900	0.7
102.34183	0.2
104.17357	0.2
106.00612	1.9
111.00887	0.3
112.98802	0.2
115.00375	7.2
116.00710	0.2
117.43398	0.2
121.02954	28.4
122.03292	0.6
123.00860	1.3
127.00412	0.4
133.01440	0.5
138.03198	2.9
139.00354	0.3
146.06038	0.3
153.05568	24.1
154.05898	0.4
166.99861	1.3
182.02197	4.5
191.05608	0.5
197.04544	100.0
198.04893	2.3
212.21660	0.2
220.01863	0.2
258.99319	0.3
294.75763	0.2
313.05655	6.6
316.28488	0.2
474.97031	0.2
555.66351	0.2
680.48804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
59.01367	4.8
61.98809	4.0
63.81195	1.1
64.57327	1.2
64.95239	1.0
71.01381	2.3
71.42527	1.5
73.02911	1.4
95.70038	1.1
101.02462	1.6
107.05014	1.2
107.93847	1.1
109.02917	2.4
113.02459	2.7
117.90007	1.0
123.95985	1.0
125.09727	1.4
129.05482	1.1
131.03755	2.9
135.04506	5.4
141.05580	2.2
144.04559	8.7
146.06114	100.0
147.06467	1.6
171.10271	1.9
183.55919	1.1
190.05074	6.1
191.05585	2.2
201.11272	4.0
211.01439	1.1
251.16536	2.0
269.17648	2.4
295.15366	1.5
311.36649	1.2
313.16522	11.0
325.10785	1.8
327.18216	3.3
331.17593	8.6
337.10663	1.9
337.16690	13.3
355.17523	3.0
388.14313	1.6
473.59033	1.2
475.21863	4.4
525.80170	1.4
622.28571	3.6
666.27631	72.8
667.27869	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	667.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39402	0.3
69.22469	1.3
71.01377	12.2
73.34551	0.3
78.01100	0.4
80.29487	0.3
80.92151	0.3
81.19598	0.3
83.01395	0.3
85.02946	0.9
88.98823	0.5
89.00328	0.7
90.47443	0.3
91.01892	0.7
98.22627	0.5
106.00581	1.9
109.02989	0.3
111.00903	0.7
115.00372	7.0
118.24812	0.2
121.02951	28.0
122.03281	0.9
123.00838	1.4
125.02464	0.6
127.04006	0.3
133.01457	0.4
138.03206	2.6
139.00372	0.3
146.18282	0.3
153.05566	22.4
161.02441	0.6
166.99828	0.6
182.02205	4.2
191.05603	16.4
197.04539	100.0
198.04878	2.0
312.07230	0.6
313.05606	8.6
353.08499	1.5
399.18719	0.3
407.07620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
59.76229	0.2
67.01863	0.8
69.50369	1.0
71.01377	11.7
76.09517	0.3
78.01104	0.8
85.02953	1.1
89.00320	0.6
91.01865	0.5
93.03443	2.5
95.01414	0.4
96.96008	1.4
98.22649	0.5
106.00611	1.8
111.00876	0.5
111.04541	0.7
113.02434	0.6
115.00364	7.8
118.28292	0.3
121.02951	25.7
122.03324	0.4
123.00860	1.4
123.01642	0.3
125.02481	0.4
133.01379	0.6
135.04526	7.5
136.98753	0.7
137.02464	0.7
138.03233	2.7
153.05568	22.3
154.05884	0.5
155.03467	0.5
161.02441	0.6
163.04024	0.5
166.99799	0.8
167.03397	0.5
167.04712	0.3
173.04538	12.0
174.04898	0.4
179.03468	8.0
182.02184	4.5
191.05611	6.6
197.04533	100.0
198.04868	2.0
227.76579	0.3
233.89977	0.3
279.12286	0.3
313.05637	9.6
353.08719	10.9
354.09424	0.4
440.45563	0.4
652.64923	0.3
667.19470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54121	0.3
54.64332	0.3
71.01380	10.9
78.01126	0.9
83.01399	0.3
85.02940	1.1
87.00839	0.4
89.00306	1.4
91.01915	0.6
93.03464	0.4
106.00581	1.6
115.00365	7.3
121.02953	27.6
122.03297	0.8
123.00851	0.8
133.01324	0.3
136.98788	0.3
138.03212	3.4
146.88133	0.3
153.05573	22.2
154.02863	0.3
154.05928	0.5
161.02473	0.4
166.99857	0.8
173.04507	0.3
182.02206	4.4
191.05611	14.8
197.04539	100.0
198.04884	2.3
273.27731	0.3
292.76141	0.3
313.05624	8.1
314.06204	0.3
327.81009	0.3
353.08716	2.1
361.83292	0.3
550.62042	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	667.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86495	0.3
69.47156	1.1
71.01379	13.0
78.01110	0.8
82.70058	0.4
83.01412	0.4
85.02944	0.9
87.00880	0.3
87.03872	0.4
89.00322	1.4
91.01888	0.9
93.03449	0.8
93.26978	0.3
98.21886	0.3
106.00587	1.9
111.00850	0.4
115.00375	7.5
121.02956	32.2
122.03255	0.4
123.00905	1.5
127.03998	0.4
133.01414	0.6
133.02953	0.5
135.04488	0.5
136.98863	0.5
137.18109	0.3
138.03215	3.0
139.00349	0.6
153.05579	24.8
154.05919	0.5
156.92233	0.3
166.99843	1.0
173.04533	0.8
179.03497	0.4
182.02202	4.7
191.05611	15.3
197.04547	100.0
198.04909	1.9
209.82516	0.4
211.88089	0.3
288.08838	0.3
313.05679	8.1
353.08762	2.9
532.48224	0.3
602.14575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03433	2.1
59.01375	31.5
65.00994	1.1
65.99844	4.8
66.67412	1.0
67.03015	2.8
69.03450	15.8
69.33070	5.7
71.01376	42.4
71.05020	3.2
73.02943	9.9
80.10886	1.0
81.83876	1.4
83.01380	4.5
83.05020	2.2
85.02944	16.6
87.00892	2.0
87.04487	1.1
89.02438	22.4
95.01389	3.9
97.02926	1.9
98.53870	1.0
99.00882	4.4
101.02434	25.4
101.06075	13.0
105.03305	6.9
107.15424	1.1
109.02934	3.0
113.02444	99.4
119.03506	7.2
123.04530	3.7
125.02438	4.0
131.03503	2.6
134.03596	4.7
137.02452	2.7
143.03514	3.7
149.04497	1.3
151.03976	2.5
159.03091	2.5
161.04567	26.6
161.05966	1.3
171.03101	1.7
175.02620	2.7
179.05600	19.2
184.10982	1.7
191.05577	3.3
194.98279	1.2
197.12665	1.1
203.07117	1.9
205.05054	1.8
234.13515	4.1
242.11911	1.7
245.08240	2.1
255.12442	6.6
256.12048	14.1
257.12833	3.5
263.11340	72.2
264.11633	3.9
289.07162	18.2
315.15976	7.3
329.20923	100.0
330.20963	2.2
333.17099	6.5
347.21942	24.0
373.19919	35.8
377.14493	50.6
378.14859	1.4
391.20975	40.1
433.21902	4.0
449.65286	1.1
463.22940	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	667.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
57.73078	0.9
59.01379	32.3
61.98813	2.2
63.72334	1.0
69.03464	1.4
69.09167	0.8
69.47853	3.3
69.48262	1.7
71.01380	21.3
71.01775	1.1
72.14701	0.8
73.02947	6.7
81.03484	1.2
83.01381	3.8
85.02955	9.3
87.00866	0.9
89.02454	8.2
93.03460	1.1
95.01369	2.9
97.02970	1.5
99.00859	1.6
101.02437	19.0
106.04239	14.3
109.06620	0.9
113.02448	14.5
119.03487	3.1
121.02891	1.1
125.02458	5.1
125.52341	1.1
131.07101	0.9
135.04469	1.3
136.05278	2.5
137.02432	1.1
138.03217	1.4
139.04022	2.2
143.03497	2.5
151.04059	1.0
151.07663	2.0
161.04555	6.1
167.03506	2.2
168.00650	1.4
173.04494	1.1
179.03377	0.9
179.17174	0.9
191.05653	2.3
257.11835	100.0
258.12106	7.5
553.32391	16.8
581.22357	14.5
581.30927	1.7
582.22919	2.9
623.23590	12.7
624.23761	2.1
667.38672	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	667.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08602	0.5
55.01850	1.2
56.51795	0.4
57.03424	0.8
59.01380	22.8
60.01693	0.7
67.70203	0.5
69.03438	1.1
69.21230	2.8
71.01382	14.8
73.02943	8.0
77.36181	0.5
83.01391	3.0
85.02947	4.8
87.00861	1.6
89.02439	4.9
93.03465	1.4
95.01376	1.2
97.02947	1.1
99.00874	1.6
101.02444	11.5
106.04244	16.8
111.73347	0.5
113.00121	0.6
113.02449	9.0
115.03998	0.7
116.92852	0.7
119.03471	1.1
125.02444	2.0
131.03503	1.0
134.03683	0.6
136.05296	2.2
138.03273	0.6
143.03487	5.4
151.04002	1.0
151.07620	4.5
152.01041	0.7
161.04558	5.0
167.03448	1.0
169.01361	1.0
179.03542	0.6
179.05580	0.8
191.05664	1.1
193.05038	0.8
203.05611	1.6
210.06790	0.9
221.06648	1.0
257.11823	100.0
258.12109	5.9
263.07611	1.7
267.12259	1.2
288.64218	0.5
305.08667	0.6
307.46957	0.5
323.09576	0.7
324.02658	0.6
363.20364	1.0
419.17230	2.0
496.88605	0.6
505.34708	0.6
553.32458	1.4
563.21490	3.3
581.22357	15.9
582.22876	1.8
623.23346	7.2
624.23657	0.9
631.33386	1.2
667.38287	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	667.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.33361	0.2
59.01377	2.4
60.09977	0.2
61.98834	0.2
62.94586	0.2
70.60862	0.4
71.01376	1.5
73.02946	0.5
85.02939	0.6
87.00885	1.5
89.02425	0.4
93.03479	0.3
94.61572	0.2
95.05022	0.2
101.02449	0.7
106.04227	0.3
113.02438	0.8
116.92876	0.4
122.03768	0.3
123.04466	0.2
124.11439	0.2
136.05296	9.9
137.02483	0.2
139.04071	0.3
141.07161	0.3
151.04030	0.3
151.07649	2.0
161.04549	2.9
169.06665	0.3
179.08643	0.5
181.10231	5.0
199.03099	0.2
201.09203	0.2
202.71335	0.2
223.07658	0.4
225.09238	2.2
241.08873	0.3
257.11819	100.0
258.12115	4.5
281.11771	0.4
299.12891	0.6
338.67584	0.2
401.16006	5.1
419.17178	3.0
461.18185	4.4
462.18237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95238	0.8
59.01360	2.4
60.16665	1.0
61.98820	3.7
71.01396	1.4
73.02945	0.9
82.95382	0.7
85.02946	1.6
89.02444	1.1
93.03488	1.0
96.96075	0.9
101.02419	1.0
106.04249	1.2
113.02354	0.8
135.04472	0.6
136.05290	4.7
137.06061	2.2
143.04666	0.9
144.72284	0.7
151.07660	9.5
152.04759	0.9
161.02467	1.9
164.04729	1.0
165.05557	7.8
166.06352	15.5
191.05597	2.7
227.10696	3.4
228.11116	2.1
229.11412	1.1
242.09421	1.7
255.10292	4.7
256.10947	2.7
257.11829	100.0
258.12173	3.9
332.13138	0.8
401.16086	2.9
419.17105	28.8
420.17346	1.9
461.18268	9.9
485.13248	0.9
564.52740	0.8
634.91998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95238	0.8
59.01360	2.4
60.16665	1.0
61.98820	3.7
71.01396	1.4
73.02945	0.9
82.95382	0.7
85.02946	1.6
89.02444	1.1
93.03488	1.0
96.96075	0.9
101.02419	1.0
106.04249	1.2
113.02354	0.8
135.04472	0.6
136.05290	4.7
137.06061	2.2
143.04666	0.9
144.72284	0.7
151.07660	9.5
152.04759	0.9
161.02467	1.9
164.04729	1.0
165.05557	7.8
166.06352	15.5
191.05597	2.7
227.10696	3.4
228.11116	2.1
229.11412	1.1
242.09421	1.7
255.10292	4.7
256.10947	2.7
257.11829	100.0
258.12173	3.9
332.13138	0.8
401.16086	2.9
419.17105	28.8
420.17346	1.9
461.18268	9.9
485.13248	0.9
564.52740	0.8
634.91998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
56.36912	0.4
57.03440	1.9
59.01377	32.7
59.49426	0.4
61.13990	0.4
61.98832	2.8
69.03441	0.6
71.01380	17.1
72.99300	0.5
73.02937	3.3
73.14598	0.5
78.67750	0.4
82.95394	0.4
83.01386	2.6
85.02940	6.2
86.00110	0.5
87.00874	1.2
88.98812	0.8
89.02441	9.5
93.03454	0.8
95.01384	1.5
96.95969	0.6
99.00860	1.2
99.04485	0.9
101.02444	12.8
102.50626	0.4
107.05012	1.5
109.06590	17.1
110.06942	0.7
113.02444	6.6
115.03992	1.5
116.92851	1.5
117.05571	0.5
119.03469	1.6
125.06097	0.5
139.04001	1.6
143.03488	1.8
158.93921	0.5
159.03024	2.6
161.04652	2.1
161.08171	3.8
162.06511	0.5
165.98343	0.4
168.53154	0.5
173.04573	0.6
191.05618	1.9
211.48906	0.4
236.26727	0.4
271.40112	0.4
313.25266	1.3
339.25345	0.5
341.28555	0.5
355.66840	0.5
385.27518	1.3
389.30548	0.9
443.31540	0.8
461.32874	2.2
553.30927	0.5
607.37097	0.6
623.38062	13.1
624.38049	1.5
667.36981	100.0
668.26385	0.9
668.37335	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	668.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99284	0.9
61.98820	2.8
67.01903	4.3
69.03451	1.4
71.01391	2.7
81.03447	1.0
83.05028	1.1
85.02956	6.2
87.00871	6.9
93.02864	1.8
93.03459	33.0
105.03479	2.7
107.05100	1.2
109.02326	1.1
109.02919	4.8
111.04511	5.2
114.99892	1.0
122.80033	1.0
123.95341	0.8
127.04054	1.8
133.02962	23.7
134.03758	3.1
135.04521	30.9
136.05368	0.9
146.06068	0.9
151.04008	1.5
155.03497	1.3
159.04550	1.6
161.02461	4.0
173.04559	15.9
177.01915	8.3
179.03502	11.3
187.03969	10.8
191.05611	100.0
201.05710	1.3
215.05612	13.0
258.14963	1.1
299.82413	1.0
300.12390	7.4
307.08276	1.7
308.08875	1.2
326.61734	1.0
351.07224	30.1
353.08771	2.0
367.10321	21.1
416.14334	1.7
476.17139	21.5
477.17557	1.5
480.60843	1.1
494.18927	1.0
668.23944	7.4
679.99915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27131	0.6
57.03440	0.9
59.01374	55.6
66.41463	0.6
67.53667	0.6
69.98441	1.0
69.98753	1.1
71.01376	34.6
72.00917	3.1
72.99295	0.6
73.02956	1.3
82.70300	0.6
83.01367	1.6
85.02942	7.6
86.80873	0.6
87.00864	2.1
89.02439	40.3
89.10455	0.6
95.01387	2.3
97.40073	0.6
99.00849	0.8
99.49680	0.6
101.02435	19.8
113.02444	21.3
119.03490	10.3
131.03447	2.0
143.03494	4.7
147.04506	10.4
149.04532	1.3
161.04530	5.4
164.07156	12.5
179.04056	1.3
179.05600	18.3
184.68999	0.7
191.05655	0.9
208.14270	0.6
258.47888	0.6
288.76645	0.6
323.09808	16.9
341.10831	2.3
365.22311	0.7
400.27081	0.7
503.16165	100.0
504.16660	4.3
614.85028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08224	1.0
55.01875	1.7
57.03434	2.1
59.01379	60.0
61.98829	36.2
69.05169	8.3
71.01377	24.6
73.02947	9.8
81.03454	1.3
83.01385	4.2
83.05066	1.4
85.02948	11.7
86.00072	1.3
87.00887	2.1
89.02444	7.0
90.31407	1.2
93.03439	1.5
93.07104	4.2
93.25781	1.1
95.01382	2.7
95.05051	1.3
99.00839	2.3
101.02452	15.3
102.02776	1.1
111.04456	1.3
113.02451	10.7
119.03500	2.6
125.02437	3.6
135.04517	4.8
137.09724	1.7
138.90062	1.2
139.04021	2.9
143.03522	1.5
159.03015	2.3
161.04530	3.8
167.03516	1.1
173.04489	2.4
179.03468	2.1
179.05533	1.3
185.15421	2.2
191.05634	6.1
209.12000	1.7
227.16478	5.0
229.18115	2.1
305.08218	1.4
357.26120	1.8
371.20703	3.7
389.21759	8.8
390.22720	2.7
422.21371	1.3
429.25024	1.6
441.28806	1.7
485.59543	1.3
501.30673	100.0
502.31033	4.8
519.31769	26.3
561.32727	21.8
561.40717	1.8
668.39948	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	669.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55597	0.3
55.01872	0.6
55.37880	0.3
57.03434	0.3
57.92492	0.2
58.00596	0.4
59.01377	100.0
60.01711	0.6
69.03445	1.8
69.46896	1.3
71.01379	13.1
72.45428	0.3
73.02943	17.8
83.01383	4.7
85.02945	2.6
85.03300	0.2
87.00902	0.7
89.02440	10.0
95.01393	0.9
96.29329	0.3
96.95995	0.4
99.00892	0.6
101.02439	20.3
102.58593	0.3
113.02448	16.2
116.92879	0.6
119.03500	6.0
121.02964	1.3
123.05778	0.2
125.02467	1.0
131.03485	2.0
135.04498	0.3
137.99751	0.3
143.03503	2.3
147.03000	0.3
149.04544	5.5
155.03546	0.5
161.04549	9.6
173.04489	0.3
179.05617	1.7
191.05690	0.6
203.05681	0.7
221.06714	4.0
221.10265	5.3
227.07123	0.3
247.11845	1.8
289.12906	2.1
301.33002	0.3
327.94501	0.4
335.13458	2.0
443.99222	0.3
444.79065	0.3
463.16666	0.4
555.20862	0.4
667.37689	0.4
669.21747	0.3
669.33374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
59.01376	30.3
61.98824	3.7
69.03448	2.7
71.01382	15.0
73.02946	4.5
78.07736	1.7
80.02663	2.9
81.03441	4.3
83.01372	2.7
83.05008	6.4
85.02952	6.4
87.00867	4.8
89.02440	6.8
90.15378	1.5
93.03454	4.0
95.01401	1.7
95.04996	2.5
97.02945	10.5
97.06564	5.3
97.77626	1.5
99.00881	3.6
101.02440	12.6
107.04993	3.3
109.02930	2.4
109.06590	44.4
109.07345	2.2
110.03712	4.9
113.02417	6.1
121.06580	6.0
123.04583	2.3
123.08157	4.7
125.09728	18.2
135.08142	7.0
142.02725	2.6
161.04535	4.0
161.09698	5.2
163.11279	28.7
171.10242	3.2
175.11264	2.2
179.05751	2.0
181.12300	8.3
185.11757	2.8
187.09735	8.7
189.09236	2.8
191.05521	2.7
191.10794	2.2
203.10826	2.5
205.08673	2.1
207.10251	100.0
208.10533	3.9
209.11810	26.6
214.54181	2.0
217.12276	1.7
219.10196	3.8
223.09729	6.5
223.13347	5.8
225.11304	47.4
226.11600	2.2
227.12752	2.5
235.08160	4.5
235.13458	4.3
237.11336	4.4
237.14716	1.6
245.11824	3.6
253.09241	6.7
261.11163	2.2
263.12869	6.8
285.11243	1.7
299.15146	2.2
327.19699	3.9
343.19202	2.2
351.19595	2.5
353.17572	2.5
353.21432	2.4
369.20593	4.1
371.18607	6.0
371.22549	3.1
387.21637	5.4
389.19482	4.8
397.20135	8.1
405.17743	3.4
405.22635	2.1
415.21225	20.3
433.22134	5.7
443.19226	2.6
461.20157	15.1
489.24667	2.5
597.29327	4.4
607.27307	20.2
608.27728	2.7
623.30792	3.5
625.28589	39.9
626.28796	2.9
633.29285	15.0
639.30145	2.4
651.30151	93.4
652.30530	8.1
669.31091	43.0
670.31793	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	669.3852
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03455	1.4
59.01376	11.3
60.99304	0.8
61.98824	3.7
71.01363	5.7
72.97404	0.6
73.02940	1.6
80.67877	0.8
81.03494	0.8
82.95416	0.7
85.02939	2.4
86.03841	0.7
87.00880	1.5
88.98806	9.4
89.02452	3.2
89.52529	0.8
93.03449	0.7
96.96033	1.0
97.02968	0.7
97.06629	0.8
98.22625	1.5
101.02441	3.1
107.05067	0.9
109.06610	2.4
112.04020	0.8
113.02469	3.6
116.92873	1.4
121.43118	0.7
123.04546	1.4
125.02455	0.9
125.09724	2.1
130.15587	0.7
135.08208	0.9
136.05293	0.9
137.02426	1.3
137.06061	0.9
139.04030	1.0
149.06076	4.6
150.06863	47.7
151.07542	1.5
153.09285	1.0
159.88864	0.6
161.04539	1.4
161.09750	1.3
161.17328	0.7
162.06898	0.9
163.07642	9.5
163.11241	1.0
164.08395	6.3
167.03555	1.3
169.95351	0.7
171.10262	1.6
176.08388	1.8
177.09256	1.3
178.10057	2.9
179.10747	16.2
187.09755	1.1
191.05627	2.3
197.11911	0.9
207.10260	4.7
209.11829	4.2
223.09796	0.9
225.11336	5.2
253.09328	1.0
257.11575	1.0
271.09863	2.6
281.21078	1.2
315.86923	0.7
327.21835	7.5
360.83527	0.8
437.25430	1.2
446.30325	8.0
452.66910	0.8
460.32089	1.4
461.32724	12.0
462.32889	1.1
485.43176	0.8
488.31448	2.0
489.32370	2.7
506.32465	4.4
507.33441	31.1
508.33484	2.4
519.32153	3.4
552.91876	0.7
625.29321	1.0
651.29724	4.3
652.30469	0.8
669.38739	100.0
670.39050	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	671.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46231	0.3
55.01876	1.9
57.03430	0.5
58.00600	0.5
58.02974	2.6
58.29422	0.3
59.01376	32.4
64.63708	0.3
69.03452	0.8
71.01377	11.8
72.00880	0.4
72.99304	0.5
73.02942	1.4
73.55914	0.3
81.03419	0.4
82.02972	0.8
83.01380	3.7
85.02945	3.4
87.00875	4.0
89.02441	15.9
96.96010	0.3
97.02952	1.2
99.00874	1.3
99.04504	0.4
100.04040	28.4
101.02437	13.2
101.04355	0.3
107.01416	0.5
108.04528	0.5
109.02934	0.5
111.35685	0.3
112.04045	5.9
113.02441	1.8
114.05581	0.5
115.10707	0.3
117.01936	0.7
119.03497	14.3
122.02461	0.9
124.04050	0.6
125.02441	9.4
126.05607	0.7
128.03519	1.7
130.06635	1.3
131.03496	3.5
138.05586	0.4
140.03452	0.4
141.01877	0.5
142.05093	4.2
143.03470	1.2
148.03999	1.0
149.04536	2.1
154.05092	0.8
160.06157	1.2
161.04549	9.4
164.01830	0.3
166.05045	0.9
174.05589	1.4
179.05598	16.7
180.05931	0.4
184.06117	1.3
191.05586	1.3
202.07202	5.2
203.05634	0.9
220.08217	2.4
245.06644	0.5
293.08752	4.3
301.91986	0.4
311.09769	3.1
355.66675	0.3
364.12399	2.6
382.13470	3.5
395.56595	0.3
468.15106	0.5
496.16776	4.1
514.17719	100.0
515.18134	5.9
566.25946	0.3
671.22882	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	671.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01378	14.6
60.07052	0.1
61.98821	0.2
65.62623	0.1
69.27691	0.7
71.01385	1.8
73.02931	0.5
81.84393	0.1
83.01407	0.2
85.02950	0.7
87.00874	0.1
93.03472	0.2
95.36348	0.1
98.06831	0.1
98.22620	0.3
99.00890	0.2
99.36126	0.1
101.02437	1.1
113.02442	0.8
121.02953	4.7
135.04543	0.6
136.05298	5.8
151.04031	0.1
151.07646	0.4
155.19562	0.1
159.03001	0.3
161.04550	2.9
185.06139	0.4
191.05641	0.4
196.08937	2.8
197.09297	0.2
211.07585	0.3
213.09178	0.3
240.07886	0.6
241.08664	0.7
255.10358	0.1
257.08148	0.5
271.09735	0.4
272.10535	9.3
273.10867	0.5
286.13080	0.1
287.12881	100.0
288.13217	3.3
311.12939	0.2
329.13876	0.2
414.31424	0.1
422.68530	0.1
449.18149	16.7
450.18539	0.9
509.18710	0.1
525.69421	0.2
671.35480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3285
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.01860	0.3
57.03440	0.4
59.01375	10.2
69.03454	0.4
69.72588	1.2
71.01377	4.8
71.05008	0.4
73.02943	1.2
79.09772	0.4
80.02665	2.6
81.03447	3.3
83.01389	1.0
83.05024	7.7
84.02175	1.5
85.02936	1.7
87.00872	1.0
89.02447	3.3
93.03465	1.0
95.01428	0.3
95.05043	1.5
97.02949	4.6
97.06587	1.0
98.13600	0.4
99.00891	0.8
101.02441	4.7
106.04260	0.5
107.05013	1.0
109.03042	0.3
109.06590	19.0
110.03757	1.6
111.04537	0.5
113.02441	3.0
119.03519	0.7
121.06601	1.1
123.04549	0.4
123.08202	0.5
125.02486	0.5
125.06071	0.7
125.09705	2.7
127.45975	0.4
135.08165	3.6
136.05324	1.0
145.05084	0.6
149.09729	0.5
151.07727	0.4
161.04553	1.6
161.09747	1.8
163.11287	14.6
165.12822	2.2
171.10286	2.7
177.09145	0.3
179.10789	0.9
181.12350	3.2
185.11864	2.4
187.09746	0.9
189.09224	1.5
191.05627	0.4
191.10767	1.2
203.10768	0.4
205.12444	0.4
207.10257	48.1
208.10521	1.6
209.11818	100.0
210.12117	3.8
217.12184	0.6
221.11855	1.2
223.13321	0.6
225.11313	22.9
226.11652	1.2
227.12877	12.0
228.13266	0.5
229.12234	0.4
231.10219	1.1
235.08228	3.1
235.13332	0.7
243.12296	0.5
245.11690	0.6
247.13370	1.0
249.11234	1.4
253.06866	0.6
253.09265	8.2
263.12872	1.4
265.14447	0.6
281.13998	0.4
299.14957	0.7
355.22983	0.6
373.19797	0.6
373.24084	0.8
386.75333	0.4
391.21088	0.6
399.21744	4.9
405.18173	0.4
417.22742	4.8
418.23135	0.6
435.23672	0.4
443.19159	2.4
445.20801	0.7
445.74594	0.4
461.20319	6.9
462.20526	0.4
481.21371	0.4
485.20114	0.5
491.26514	0.6
609.28601	0.4
627.29572	0.7
635.30731	9.1
636.31256	1.0
653.31726	9.6
654.32434	1.4
671.32751	17.8
672.33142	2.3
687.11523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.362
Annotation	CHEBI:69144
Peak:m/z	Relative Intensity
58.02967	2.0
59.01363	3.6
61.98812	3.3
69.63983	2.8
70.02964	1.1
71.01360	1.6
71.87820	0.8
73.04063	4.5
82.02972	2.4
83.02487	0.9
83.05005	1.0
84.00892	0.9
87.05629	3.0
88.04031	1.4
96.96004	1.3
98.21853	1.0
101.07215	1.6
109.04062	3.1
110.02466	2.5
111.05643	1.3
112.04055	2.0
113.02408	1.2
115.05105	1.9
115.08752	2.8
116.07162	1.8
120.01240	1.1
123.05654	1.3
124.04047	4.3
125.07213	1.3
126.05597	3.4
126.06590	0.8
127.05127	14.2
127.08726	1.5
128.03539	7.6
129.06680	2.6
130.05107	1.5
130.08739	47.1
135.75229	1.1
137.07170	3.7
138.05588	2.6
139.05124	2.6
140.05699	0.9
140.07098	1.7
141.06676	2.5
147.47832	0.8
154.09839	2.3
155.03482	0.9
160.05287	1.9
160.98843	0.9
161.06134	1.1
166.06219	15.6
167.04628	3.8
168.09061	1.0
169.06120	1.3
169.13402	1.5
172.10913	1.2
173.04497	1.2
175.07556	1.5
180.07779	1.6
180.10335	0.9
181.06158	2.5
181.09784	1.9
184.07257	29.4
185.16588	12.0
186.08844	1.4
191.05577	2.6
195.21518	1.0
197.12939	2.8
198.08809	3.0
211.11996	1.2
211.14366	1.2
229.15558	6.0
237.09912	2.1
238.11954	2.1
239.14133	1.1
255.10895	7.2
259.09351	1.2
265.13004	2.8
283.14111	2.5
284.23434	12.3
301.14499	1.1
321.19205	1.7
328.22437	2.8
329.13870	7.7
330.14066	1.0
334.16266	1.6
341.25494	2.5
359.15009	2.5
385.24475	4.9
407.26215	1.0
427.25659	2.0
429.26898	1.1
439.25711	2.6
452.28748	1.5
496.27914	15.1
540.30579	4.2
567.31390	3.1
609.32373	12.3
610.32190	1.1
627.33508	36.0
628.33734	2.9
653.34991	7.4
671.36163	100.0
672.36377	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	671.401
Annotation	Guineamide D
Peak:m/z	Relative Intensity
55.01879	0.7
57.03452	0.7
59.01113	0.9
59.01381	8.8
61.98825	1.3
62.98503	0.5
63.56477	0.4
64.53093	0.4
69.03476	0.6
69.34424	2.1
71.01382	3.6
72.96161	0.4
73.02962	0.7
75.51778	0.5
80.02692	0.8
81.03481	0.9
83.01404	0.6
83.05019	2.1
84.02187	0.5
85.02951	2.8
87.00858	1.2
88.98823	0.5
89.02442	2.2
93.03470	1.5
95.05045	0.9
97.02950	1.3
99.00925	0.6
101.02464	2.7
109.02973	0.8
109.06573	4.2
110.03747	0.6
111.04504	1.1
111.08167	1.2
113.02442	2.0
119.03500	0.7
121.02945	0.6
121.06608	0.8
123.04497	0.5
123.08231	0.5
125.06108	0.5
125.09708	0.9
129.05397	0.5
135.04559	0.6
135.08168	1.4
136.05307	0.8
137.06119	0.5
137.09724	1.0
149.06094	5.5
150.06866	43.8
151.07536	1.5
153.12991	0.4
155.10814	0.7
161.04446	0.7
161.09729	1.4
163.07645	11.9
163.11247	3.1
164.08444	6.4
169.12415	0.6
171.10312	1.1
173.04547	0.7
176.08438	2.0
177.09142	1.3
178.09933	3.3
179.05542	0.6
179.10774	14.6
181.12366	0.5
185.11726	0.5
187.11382	0.5
189.09239	0.8
191.05591	2.2
205.08815	0.6
205.12366	0.8
207.10260	10.4
208.10724	0.7
209.09825	1.1
209.11830	23.5
210.12225	0.9
225.11333	13.3
227.12852	3.3
235.08185	1.1
247.13554	0.5
249.11465	1.1
253.09241	2.6
265.21771	0.6
284.79871	0.5
327.25543	1.0
329.23386	5.1
399.21790	1.1
411.16486	0.6
417.22943	0.9
430.30798	1.3
443.19128	1.3
445.33395	0.9
447.34860	0.8
448.31924	9.3
449.32462	1.0
461.20285	3.3
462.20441	0.8
462.33630	1.9
463.34335	12.4
464.19666	0.5
464.34747	0.6
490.33142	2.1
491.33810	2.9
508.33994	3.6
509.34937	31.8
510.35339	2.8
521.33606	0.6
616.19110	0.6
627.37500	0.9
635.30627	1.2
653.31757	3.1
654.31879	0.8
665.58795	0.5
671.40320	100.0
672.40692	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	672.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31500	1.0
55.09101	1.0
57.66201	1.1
59.01368	1.6
66.57139	1.0
82.83768	1.2
83.01350	1.2
93.03462	1.9
101.02423	1.1
107.01410	2.0
108.02128	1.3
109.02933	1.4
121.02954	1.8
125.02436	3.7
125.90728	1.1
137.02415	1.7
151.00359	9.2
151.03986	1.7
161.02420	1.8
163.00377	2.4
164.01073	1.2
178.99863	4.8
191.05630	4.6
194.53891	0.9
201.05453	1.2
227.03426	1.6
243.02928	6.8
249.95204	1.1
254.02069	1.5
255.00465	1.4
255.02968	16.6
263.83755	1.0
271.02457	38.6
272.03012	1.7
300.02722	88.9
301.03479	28.7
303.08786	2.4
329.02097	1.0
381.02347	1.2
609.14545	100.0
610.14844	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	672.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
71.01376	16.6
96.96013	2.7
102.93343	0.7
115.00364	8.8
121.02951	100.0
122.03288	3.3
125.02473	2.3
137.02396	0.9
161.02519	0.8
177.01953	0.7
191.05637	2.4
237.04034	12.1
350.58737	0.8
374.72589	0.8
387.71924	0.8
394.65829	0.7
414.38028	0.8
434.21973	0.9
459.77646	0.8
481.97916	0.8
596.64771	1.0
672.35400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
57.03452	1.0
59.01377	38.0
61.86555	0.7
61.98821	2.9
65.74057	0.7
68.22409	0.7
71.01382	13.9
73.02952	1.6
83.01380	2.1
85.02945	4.6
86.02453	1.2
87.00874	0.9
89.02440	10.5
93.03462	0.8
95.01359	1.3
98.94743	0.6
99.00864	1.1
101.02445	10.2
112.01665	5.1
113.02455	8.2
116.92854	2.0
119.03500	4.6
123.04566	0.7
125.02436	1.5
127.04016	6.9
135.04498	1.2
139.00339	1.0
139.04048	1.4
144.00615	1.7
161.04662	0.7
167.03482	1.3
173.04437	0.9
179.05627	0.6
182.02213	0.8
191.05626	3.4
197.04575	1.3
301.03461	1.5
432.20438	3.9
450.21130	1.1
526.22894	6.5
566.25854	2.1
594.25366	1.7
609.14319	1.1
612.26569	100.0
613.26862	8.5
672.34735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
57.03431	1.7
59.01379	39.8
61.98817	1.2
65.64693	0.5
71.01382	14.8
73.02937	1.3
83.01388	1.3
85.02953	3.6
86.02457	1.1
87.00869	1.2
89.02444	12.4
95.01383	1.0
97.02868	0.5
101.02438	9.3
111.00951	0.6
112.01657	4.8
113.02454	7.4
113.03181	1.0
115.04047	0.5
116.92844	1.2
119.03517	4.0
123.04539	0.8
124.04716	0.5
125.02424	1.2
127.04006	6.7
135.04472	0.5
137.02417	0.8
139.00362	1.4
139.03972	2.0
144.00594	1.2
150.69243	0.5
159.06631	0.6
161.04526	1.2
165.05473	0.5
167.03477	1.4
173.04645	0.6
179.05659	1.0
191.05576	0.9
193.05013	0.7
193.48622	0.5
218.47993	0.5
237.51778	0.5
278.57938	0.5
432.20380	4.0
450.21179	1.3
526.22809	6.5
566.26227	3.0
594.25287	1.3
612.26556	100.0
613.26929	8.0
672.34808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.3
61.98833	12.9
71.01370	8.0
71.01727	1.9
71.05012	6.3
71.43431	3.0
73.02946	8.1
77.68118	1.8
82.73059	1.8
85.02974	2.3
93.03429	3.4
97.06599	2.4
101.02425	5.1
109.06576	2.7
113.02426	3.0
115.07644	5.3
125.87374	1.9
127.11300	13.9
127.87051	3.0
131.02513	1.8
134.45612	1.8
137.02460	2.3
153.12868	1.9
162.83928	9.7
163.04051	2.0
167.14427	37.2
169.12344	34.2
182.15491	4.8
188.41240	1.9
193.05028	1.8
207.10239	6.9
208.10542	4.3
209.11819	21.7
209.15192	3.6
210.12152	7.1
211.13414	42.0
212.16641	2.5
225.11316	5.0
226.11682	2.7
227.12907	3.1
229.12207	2.7
229.14445	53.7
243.16029	6.8
253.14360	7.7
254.17613	4.7
265.21561	4.4
271.15424	2.6
272.18604	26.8
279.23755	1.8
309.20825	3.8
326.23288	8.5
367.54443	1.9
406.29590	4.0
424.30679	100.0
425.30823	7.6
466.31299	4.2
493.10529	1.7
511.04333	1.7
519.49823	1.8
528.13434	1.8
529.70630	1.9
579.99579	2.0
598.15411	2.2
636.13239	2.9
672.32819	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	673.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	51.1
59.91975	55.9
69.89568	100.0
79.08170	50.0
116.92975	58.5
137.02440	53.1
137.53401	47.7
286.98813	53.6
404.80615	58.1
482.35818	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93579	0.3
56.42060	0.3
58.40250	0.3
59.01376	5.5
61.98809	0.4
67.01881	0.8
69.06471	0.6
69.06867	1.5
71.01369	1.7
80.02690	0.3
84.02171	0.3
85.02946	0.8
89.02429	1.2
90.39450	0.3
95.04995	0.9
96.13361	0.4
96.95996	0.7
101.02441	0.7
105.07072	0.3
107.03782	0.5
108.04543	0.6
113.02411	1.3
113.06078	0.4
116.92837	0.5
120.04554	6.8
121.05307	1.2
122.06116	6.1
132.04535	1.4
134.06107	2.2
135.06883	1.3
136.07675	9.8
139.04007	1.0
146.06123	0.5
148.04068	0.3
150.05643	0.8
150.06844	3.6
158.02451	1.3
159.02982	0.4
161.04575	0.5
161.07172	0.7
162.05655	0.4
163.07664	0.6
163.62790	0.3
164.07173	0.4
164.08446	0.9
165.12834	0.4
168.06651	3.2
171.11766	2.0
172.07632	0.4
173.04582	0.3
176.03491	0.7
179.03514	0.3
179.05614	0.4
179.10727	2.2
186.09280	0.4
189.10350	0.3
190.05089	5.4
191.05667	0.8
198.09248	2.0
199.10037	2.1
209.11821	8.5
214.07446	0.4
214.12355	10.5
215.12659	0.8
225.06679	0.5
226.07413	0.6
227.08282	2.4
227.13025	1.7
228.08994	1.0
229.09784	4.8
230.11856	4.0
241.09778	5.8
242.10588	16.8
243.10886	0.9
253.09001	0.4
256.12198	0.7
257.12946	80.0
258.13245	3.9
283.10925	0.6
300.11014	0.6
301.11920	100.0
302.12253	6.0
304.13293	0.3
313.11877	0.8
323.10187	0.4
357.10818	0.8
371.12445	15.9
372.13110	2.4
488.56406	0.4
494.67444	0.4
496.33871	0.4
511.36395	6.6
559.27698	0.9
611.25079	0.3
655.24451	0.6
673.25159	1.1
673.41138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40731	0.2
55.01868	0.3
58.24404	0.2
59.01377	2.4
69.27987	1.0
71.01386	1.7
80.02679	1.1
81.03456	1.2
83.01371	0.3
83.05026	4.1
84.02155	0.7
85.02917	0.4
89.02431	1.6
95.01414	0.2
95.05018	0.8
97.06560	0.3
98.21774	0.2
101.02451	1.5
109.06586	0.4
111.95431	0.2
113.02449	0.8
119.03497	0.3
125.06072	0.6
125.09731	0.3
131.07040	0.2
135.08160	0.5
149.09784	0.2
156.96312	0.2
161.04549	0.7
163.11293	3.0
165.12840	2.3
171.10254	1.5
173.09868	0.3
179.05592	0.4
181.12447	0.6
191.10713	0.9
209.11821	100.0
210.12128	3.0
227.12881	12.7
228.13173	0.6
235.08282	1.7
247.13347	0.9
253.09279	5.3
289.22723	0.2
419.24518	0.2
445.20718	1.2
637.32251	0.5
655.33197	0.4
673.35199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68065	0.1
50.98066	0.1
52.18166	0.1
55.01869	0.2
59.01375	2.6
63.24477	0.2
71.01379	1.9
71.05000	0.2
73.02939	0.5
75.49763	0.1
80.02670	1.2
81.03450	1.3
83.01382	0.3
83.05028	5.4
84.02170	0.7
85.02962	0.4
87.00874	0.3
89.02444	1.3
93.03461	0.2
95.05016	0.7
95.93784	0.1
97.02935	0.2
97.06567	0.2
101.02443	1.5
109.06567	0.3
109.41283	0.1
111.08154	0.2
113.02447	0.9
119.03496	0.4
124.67508	0.1
125.02501	0.2
125.06081	0.7
125.09727	0.3
135.08163	0.6
145.05040	0.2
161.04567	0.8
163.11279	3.7
165.12851	2.6
171.10269	1.5
179.05629	0.3
181.12369	0.5
191.10802	0.9
209.11819	100.0
210.12155	4.2
223.13284	0.2
227.12877	12.7
228.13203	0.4
235.08229	1.3
247.13412	0.6
253.09262	5.7
265.14441	0.4
401.23254	0.2
445.20886	0.9
637.32251	0.5
655.33777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56815	0.3
59.24821	0.4
61.98830	100.0
67.93229	0.3
76.22025	0.3
78.95912	0.3
86.16491	0.3
91.24097	0.3
93.03497	0.6
115.89770	0.4
123.44718	0.3
127.64343	0.3
137.02434	0.5
160.84351	0.5
173.44896	0.3
241.95976	0.3
257.56253	0.3
280.68384	0.4
348.15323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46253	0.8
57.03460	1.1
59.01377	100.0
66.49596	0.7
66.76455	0.8
69.51385	1.8
69.51798	3.0
71.01389	8.5
73.02960	4.1
75.00880	0.9
83.01380	2.4
85.02946	6.0
85.03383	1.0
87.00875	1.5
89.02444	1.6
93.03452	1.7
95.01430	0.8
96.96008	3.2
99.00874	2.2
101.02438	9.1
101.06094	5.7
113.02448	8.6
125.02471	1.2
128.70282	0.9
132.04546	1.6
133.02969	3.0
135.04495	0.8
144.04543	3.1
146.06114	80.2
147.06462	2.9
158.01161	0.8
159.03018	1.2
160.04042	20.4
161.02464	1.1
161.04601	4.4
173.04562	0.9
177.01945	1.8
190.05109	17.1
191.05626	6.7
192.06029	1.1
207.08740	3.7
215.05835	0.9
235.11861	20.1
238.88669	1.0
249.06067	1.1
277.12885	11.5
308.11340	1.9
321.11935	1.4
322.09283	8.7
351.07239	2.3
351.12909	7.5
352.10364	28.8
353.10614	1.8
592.65436	0.9
643.54102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66232	0.1
59.01372	1.0
61.98828	100.0
62.98518	0.1
70.52170	0.1
71.01382	0.3
73.02958	0.2
82.95428	0.4
85.02974	0.1
93.03498	0.2
101.02455	0.2
113.02451	0.1
120.70524	0.1
121.02966	0.2
122.03358	0.1
136.05344	0.2
137.02473	0.1
137.05672	0.1
161.04584	0.1
163.25827	0.1
172.47037	0.1
173.04559	0.1
175.03996	0.1
191.05690	0.2
197.09282	0.1
272.10535	0.2
273.10855	0.2
274.11075	0.2
275.11325	0.1
287.12860	2.4
288.13226	3.0
289.13489	1.8
289.16550	0.1
290.13788	0.9
449.18533	0.2
450.18552	0.4
451.18790	0.3
452.19144	0.4
460.00323	0.1
614.34155	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	674.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.4
61.98817	3.3
69.26412	7.7
71.01382	5.8
73.02931	1.9
82.01760	2.5
83.05027	3.0
85.02935	2.7
88.68851	1.5
89.02435	2.8
93.03458	3.9
95.02517	3.4
96.00901	5.1
96.04578	3.1
96.96030	2.1
98.01204	1.6
98.22609	2.9
101.02428	4.4
107.05039	2.0
111.02009	2.7
111.05640	5.9
112.00389	2.2
113.02444	6.0
113.03548	1.7
116.05050	1.4
116.92844	1.9
119.03535	1.7
120.04562	2.3
122.06108	1.6
123.01968	2.7
131.03751	5.4
132.04543	6.1
133.05350	10.6
133.07722	1.7
134.06114	20.8
135.05748	1.6
137.07220	4.1
138.05579	4.3
139.04024	1.8
139.08722	1.5
150.06828	2.0
155.08266	100.0
156.08560	1.8
159.03276	2.1
160.04050	24.5
161.04451	2.4
163.11237	2.9
165.06693	13.1
165.10320	5.3
166.08716	3.0
171.05562	2.1
171.10237	1.9
172.03941	1.4
173.07120	1.6
177.01938	1.4
178.05153	1.7
181.09790	2.1
181.12300	1.8
186.05612	2.7
187.05077	1.7
188.05885	5.3
189.06673	1.9
191.05611	4.6
203.08253	2.3
204.36703	1.5
208.07181	2.3
209.05655	12.9
209.09511	3.7
209.11815	40.0
210.12189	20.0
227.12869	5.1
228.13251	2.6
253.09137	2.0
259.14420	2.9
262.08728	2.7
264.10309	32.6
265.10507	1.6
279.11270	5.6
281.13043	4.2
283.10962	2.1
286.45413	1.3
307.10864	4.2
311.13968	1.9
338.19620	1.4
387.12924	1.6
394.21313	1.4
415.72668	1.6
420.19312	24.5
421.19714	1.8
446.20737	3.3
472.18622	3.9
474.20297	20.8
489.21225	7.0
511.35892	1.8
543.26123	2.2
559.28015	2.0
560.27850	6.2
561.30298	1.9
584.24854	2.0
586.26624	10.6
602.26471	3.8
630.25690	36.7
631.26068	4.1
631.36505	1.6
674.24451	14.6
674.34637	2.2
675.23993	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	674.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.4
61.98830	39.8
64.07821	2.5
68.27521	2.8
70.80744	3.1
82.95411	25.9
89.02436	3.8
93.03419	4.6
95.02522	3.7
96.00927	7.8
96.96006	7.0
98.01241	2.8
111.02007	3.0
111.05644	7.8
112.00349	3.4
116.05050	2.8
116.92863	3.0
131.03703	4.1
132.04541	9.1
133.05338	13.4
134.06158	21.3
137.07161	2.7
149.02359	4.9
155.08266	100.0
160.04042	21.9
161.02399	3.2
162.10109	2.6
165.06688	2.8
165.10251	3.9
173.07257	3.2
178.05133	7.9
187.04977	3.7
188.05838	14.8
191.05609	8.2
195.06682	3.7
209.09378	3.1
223.06155	3.2
264.10287	25.6
279.11420	7.0
294.04938	2.4
381.50531	3.4
420.19409	20.3
474.20392	12.1
489.21307	4.3
586.26569	8.6
626.28699	3.0
630.25391	20.2
631.25562	3.2
674.24469	69.7
674.35992	4.2
675.24542	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	675.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95361	0.2
58.21071	0.2
59.01369	0.9
67.01867	0.2
67.17160	0.2
69.03438	0.2
71.01357	0.5
71.09912	0.3
72.24529	0.2
73.04128	0.2
73.97193	0.2
79.95699	0.3
81.03459	0.2
82.95419	1.4
85.02945	4.8
87.00868	1.1
93.03458	3.1
96.96006	6.0
99.00916	0.2
109.02931	0.6
111.04497	1.1
113.02424	0.2
117.03444	0.3
119.05035	0.7
121.02959	0.6
121.68170	0.2
125.02428	0.9
127.03992	1.4
137.02477	0.3
145.02954	0.8
150.97385	0.2
163.03963	1.3
171.03011	0.3
173.04546	1.4
182.44844	0.2
191.05600	100.0
192.05957	2.1
193.05948	0.3
337.09283	29.6
338.09653	1.4
465.37213	0.2
495.64368	0.2
501.89899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	3.3
70.36938	2.9
70.37267	2.4
93.03452	100.0
112.82355	1.8
137.02441	96.6
138.02780	2.0
151.00328	5.6
151.03940	2.4
152.01140	4.5
166.02701	15.1
167.03455	6.0
181.05006	6.8
191.05473	3.6
194.70357	1.9
271.04044	1.9
298.71289	2.1
453.44955	1.9
537.17297	2.6
555.18512	2.5
675.20709	99.7
676.20898	8.5
690.02472	2.0
695.42383	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.6
64.18632	0.4
79.83269	0.5
92.02681	0.7
93.03461	82.5
94.03815	1.4
95.01400	0.8
119.21857	0.5
135.04607	0.5
136.01660	2.1
137.02446	100.0
138.02806	1.8
151.04019	0.5
161.02554	0.7
162.02946	0.6
174.35916	0.5
177.01939	1.7
179.03528	1.6
180.04239	0.8
192.04330	0.8
193.05098	0.6
194.05879	1.7
195.06384	0.9
207.06631	1.6
209.08162	1.7
210.08542	0.7
221.90063	0.5
345.09821	1.6
478.78174	0.5
507.69830	0.6
555.18677	9.8
556.19232	0.8
675.20795	14.7
676.21552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2423
Annotation	CHEBI:66413
Peak:m/z	Relative Intensity
52.28889	2.3
57.40001	2.8
57.41043	2.1
59.01380	22.6
61.98841	3.4
71.01379	17.9
73.02946	8.3
85.02903	5.0
89.02444	30.9
93.80753	2.1
98.22637	4.0
99.00867	12.6
101.02454	14.0
111.90554	2.6
113.02424	4.0
116.60653	3.1
125.02378	3.4
149.04573	18.4
191.05548	5.3
220.77769	2.8
251.07481	2.9
546.49939	2.7
607.23901	5.8
639.26593	84.8
640.27014	7.9
675.24188	100.0
676.24701	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	675.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48788	4.4
59.01381	24.4
60.85721	4.1
61.98824	17.2
71.01382	7.2
78.95894	5.4
81.03443	4.5
81.97599	4.2
83.05012	5.9
85.02925	5.7
89.02425	4.8
93.03436	7.3
95.00628	3.5
96.96010	12.7
101.02431	9.4
109.06599	8.0
113.02433	10.5
116.92854	5.7
141.01750	3.7
156.20723	4.2
163.11249	8.2
169.12367	6.7
171.10265	54.2
173.04524	5.4
191.05644	7.8
197.11830	100.0
207.10280	34.2
209.11826	95.3
210.12082	8.4
225.11322	14.7
227.12895	19.8
235.08328	11.2
253.09212	17.8
291.99503	4.1
404.55856	4.2
412.45676	3.9
433.21014	9.1
450.39853	4.0
615.29999	13.9
621.32855	10.7
639.33478	7.3
675.31470	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45918	0.6
55.01880	1.6
57.03453	1.8
57.47734	0.5
58.00594	1.3
59.01378	96.2
60.01716	0.8
61.98834	1.1
64.92715	0.6
69.03452	7.9
71.01380	50.1
72.99297	1.4
73.02950	3.3
83.01387	3.1
85.02950	11.5
87.00861	1.4
89.02446	55.9
93.03422	0.6
95.01384	4.4
96.96024	1.4
99.00870	0.9
101.02442	29.9
102.02764	0.6
112.25417	0.6
113.02451	43.1
114.02778	0.7
119.03502	22.8
125.02467	0.9
127.04044	1.0
129.01897	0.8
131.03502	2.7
134.44702	0.5
139.04079	0.7
143.03513	5.2
143.35474	0.6
149.04565	2.3
155.08276	1.1
161.04585	7.9
176.01175	1.1
177.01927	14.1
179.05615	18.5
191.05713	1.1
209.11844	2.0
210.12094	0.8
227.12976	1.1
348.10425	0.6
399.23965	2.2
419.75949	0.7
444.87250	0.6
561.29132	100.0
562.29480	9.3
659.88818	0.6
675.33032	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	675.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03444	2.2
58.00592	1.8
59.01377	93.3
61.98827	2.8
69.03458	5.9
70.50095	1.4
70.50428	1.5
71.01380	58.5
72.99275	1.1
73.02943	6.8
83.01384	3.0
83.05015	1.5
85.02950	14.2
87.00867	3.1
89.02442	62.8
93.03438	2.4
93.78001	0.8
95.01390	3.2
96.96017	1.8
97.02961	1.1
98.00092	1.2
98.21893	1.0
99.00870	2.2
99.74487	0.9
101.02441	34.2
105.03441	1.4
113.02452	40.7
116.97224	0.9
119.03503	27.7
125.02458	1.1
127.91578	0.9
131.03487	3.2
132.04521	1.9
133.02971	1.6
137.02451	1.3
139.03987	3.3
143.03490	7.3
143.32735	1.0
149.04532	2.4
150.05411	0.9
161.04573	8.8
171.10216	1.0
173.04506	1.4
177.01936	23.8
179.02170	0.9
179.05602	21.8
191.05592	2.9
209.11784	10.8
210.12091	4.3
211.12317	1.4
227.12880	2.4
228.13121	1.3
229.14317	1.0
293.68329	1.0
383.13287	1.1
399.23965	5.2
527.18927	2.2
561.29138	100.0
562.29486	10.6
571.18073	1.4
631.37537	2.0
675.31866	4.6
676.35425	1.5
676.69702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
56.99795	0.5
57.03441	2.0
58.00596	0.6
59.01376	100.0
60.01711	0.9
61.98830	2.1
67.01883	0.6
69.03457	6.8
69.09724	3.1
71.01378	56.8
72.99303	1.6
73.02937	5.8
75.00876	1.1
82.95414	0.8
83.01373	3.1
83.05016	1.1
85.02455	1.0
85.02948	15.1
87.00874	3.8
89.02440	65.6
90.02779	0.7
92.22926	0.7
93.03455	1.0
95.01381	3.4
96.96004	1.8
97.02923	0.6
97.06607	0.5
99.00873	2.3
100.77914	0.5
101.02436	39.9
102.02737	0.9
107.04990	0.5
111.00890	0.8
111.04530	0.6
112.28082	0.5
113.02444	45.5
114.02768	0.8
116.92847	0.6
116.97266	2.7
119.03497	31.6
125.02466	1.1
129.01997	0.5
131.03503	4.4
135.04553	0.9
137.02431	0.8
139.03983	2.5
143.03508	7.8
149.04543	3.3
151.07668	1.6
159.02908	0.6
161.04559	12.4
162.04832	0.6
171.10179	0.7
173.04501	0.9
177.01955	1.2
179.05602	31.7
180.05988	0.5
181.12418	0.6
183.69785	0.4
190.74420	0.5
191.05609	2.9
197.11819	1.1
199.13289	0.7
209.11844	6.4
210.12137	3.6
211.12357	0.9
221.06628	0.8
227.12875	2.1
228.13297	0.9
229.14339	1.8
248.56387	0.5
253.09401	1.1
303.12527	0.5
370.86328	0.6
399.23868	3.8
491.28256	0.8
503.24844	1.3
523.35248	0.5
561.29126	85.2
562.29504	7.4
613.39368	0.8
631.40546	1.8
643.24921	0.5
675.32208	7.8
676.33032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35124	0.6
55.01866	1.5
57.03437	0.8
57.65253	0.6
59.01377	55.0
61.98803	0.8
66.77535	0.6
69.03430	2.1
71.01379	36.6
71.41483	0.8
72.99288	1.8
73.02940	6.3
75.00864	0.9
77.08847	0.6
78.95898	1.1
81.03458	1.3
83.01392	4.5
85.02942	8.6
87.00873	10.1
89.02443	35.5
94.22066	0.7
95.01380	3.7
97.02949	6.9
99.00861	1.9
99.04508	0.9
101.02438	30.2
109.02914	0.7
111.04491	0.9
113.02448	15.2
119.03507	9.9
125.02441	13.2
131.03517	1.6
139.04018	1.2
141.01932	0.8
143.03493	6.6
149.04614	0.8
152.99521	1.1
161.04561	6.1
179.05609	6.9
185.04504	1.0
217.07181	1.0
221.06639	2.8
235.08199	16.1
245.06609	0.9
253.09285	4.1
263.07654	1.9
277.21707	100.0
278.22119	3.8
287.07693	4.6
305.08875	4.6
323.09827	1.9
326.46222	0.7
379.12509	1.3
397.13470	99.2
398.13876	2.8
415.14542	39.8
416.14630	1.2
486.97601	0.7
530.33972	0.7
593.27258	1.4
620.99432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03449	1.2
58.00584	0.4
59.01376	59.8
61.98836	0.3
68.99829	0.4
69.03442	2.6
71.01379	41.0
72.01730	0.4
72.99307	1.5
73.02937	7.2
75.00874	0.8
75.85076	0.3
81.03461	1.6
83.01392	5.0
83.05042	0.3
85.02950	7.9
86.00081	0.3
87.00873	9.7
87.04504	0.5
89.02444	37.5
90.02857	0.3
91.04000	0.8
93.03468	0.6
95.01402	2.5
96.71680	0.2
97.02946	6.6
97.36161	0.3
99.00874	2.2
99.04526	1.0
101.02439	35.9
103.04018	0.3
109.02958	0.5
111.00876	0.6
111.04519	1.2
111.41290	0.2
113.02448	16.6
115.04021	1.2
119.02631	0.6
119.03500	11.7
121.02954	0.7
123.00900	0.3
123.04523	0.4
125.02441	14.4
127.03985	0.4
128.47340	0.3
131.03506	2.1
133.05077	1.4
137.02443	0.4
139.04015	0.9
141.01927	0.7
143.03491	6.6
149.02469	0.4
149.04564	1.7
157.05060	0.4
161.04561	8.2
167.03528	1.0
169.05035	0.4
171.03117	0.4
179.05612	7.1
181.05144	0.3
185.04515	0.8
199.06143	0.6
217.07074	1.6
221.06630	2.7
228.83809	0.3
233.22765	0.6
235.08208	16.4
243.96526	0.3
245.06573	0.8
253.09242	3.5
259.20563	0.4
263.07681	2.1
277.09335	1.0
277.21713	100.0
278.22012	4.1
287.07697	4.0
291.23486	0.6
305.08752	4.6
319.22888	0.3
323.09717	2.1
361.11411	0.8
379.12457	1.2
397.13477	93.4
398.13806	3.3
415.14536	39.9
416.14816	1.1
626.90381	0.3
675.36078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.2
57.03426	1.6
57.59566	1.3
59.01379	100.0
61.98831	10.2
67.01888	1.9
69.03452	4.2
70.11941	3.0
71.01377	28.1
73.02946	68.8
73.96416	1.2
75.00852	2.4
75.26202	1.4
79.01878	3.0
79.20896	1.2
81.03490	2.3
83.01378	18.1
83.05021	3.7
85.02946	6.3
87.00845	3.0
89.02426	9.5
91.24952	1.4
93.03450	4.3
95.01380	11.2
95.05000	2.0
96.95982	4.0
97.02956	2.1
101.01786	2.5
101.02439	48.8
109.02981	2.3
111.00870	1.8
111.04488	1.5
112.01668	8.7
113.02456	19.0
116.92828	3.2
119.03513	3.1
121.03001	1.3
123.04488	1.6
125.02429	5.5
127.04012	9.6
131.03485	4.4
135.04485	4.2
136.05269	5.4
137.02441	4.0
139.00360	24.6
139.04048	11.4
140.01125	1.9
143.03464	5.7
144.00600	2.1
149.04527	6.4
151.07651	2.1
152.04791	2.9
155.03539	3.3
161.04514	12.1
164.07207	1.6
167.03499	8.3
167.07185	2.1
169.12372	1.5
171.10239	3.9
173.04611	4.1
180.04282	7.9
185.11833	1.7
191.05612	6.8
195.06622	13.7
197.11819	2.4
200.10774	2.4
201.11089	1.8
202.12418	7.2
203.05646	2.0
209.11824	28.9
210.09410	1.5
210.10051	1.6
210.12157	14.7
211.12508	6.1
213.11360	1.4
226.12291	1.4
227.12836	5.9
228.13525	2.5
229.14305	3.5
230.15457	3.7
234.12816	1.5
238.12323	2.3
241.11067	2.5
253.09419	3.2
254.11845	3.2
256.13382	16.3
268.13278	1.5
278.11859	2.1
282.11346	22.7
290.12302	2.0
290.15347	8.1
293.14001	1.9
308.16547	6.4
310.14426	5.0
325.16711	2.0
334.14462	9.7
351.14664	2.7
366.17172	9.0
378.13278	2.6
384.18137	8.1
408.18298	7.2
410.16064	91.0
411.16284	4.9
426.19098	2.4
428.17126	76.0
429.17459	4.1
447.08975	2.1
452.16782	7.7
470.18347	8.6
502.30487	1.8
669.62671	1.7
675.38745	2.0
676.33533	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	676.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30119	0.4
59.01382	0.8
61.98829	100.0
66.03208	0.4
69.25255	2.2
71.01353	0.4
96.96080	0.4
103.56801	0.4
103.97177	0.4
118.65929	0.5
143.04659	0.5
162.43004	0.4
172.99371	0.4
178.61592	0.4
188.71669	0.4
189.34698	0.5
191.05647	0.5
194.88788	0.4
249.68547	0.4
374.57422	0.4
428.07773	0.5
430.25854	0.4
552.63647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	15.4
56.33503	2.3
57.03447	5.6
58.97958	2.4
59.01380	36.3
61.98828	10.8
69.28686	9.5
71.01379	18.4
72.99325	10.8
75.00876	25.3
81.03447	6.3
83.01368	4.7
83.05025	7.1
84.04546	3.1
85.02950	24.1
87.00871	26.8
89.02441	7.8
93.03469	3.6
96.96001	4.9
97.02921	9.8
99.00877	15.6
99.04502	4.0
101.02441	6.5
105.01938	3.0
107.05001	3.8
108.02157	5.5
109.02972	13.1
111.00861	5.6
111.04511	8.3
113.02420	5.5
115.00369	14.7
116.92811	2.9
117.01972	2.6
119.03471	2.6
121.02927	4.9
122.03773	5.2
123.04550	13.8
125.02425	7.8
125.06013	2.7
127.00382	32.6
127.04026	10.6
129.01924	4.3
131.05022	2.7
133.06578	3.4
135.02998	71.4
135.04532	7.8
137.02431	3.3
137.06071	2.4
138.03226	5.9
139.04054	13.6
141.01793	6.7
145.01442	8.1
147.03015	3.6
147.04515	13.7
149.06065	5.4
151.03986	8.5
153.01909	9.5
153.05612	14.9
159.04523	3.1
161.06100	6.3
163.04015	8.1
164.04753	3.1
165.05615	3.8
173.05991	3.2
174.01712	7.0
175.02458	34.3
175.03995	24.6
176.04715	4.9
177.05563	4.9
178.06258	3.4
179.07101	3.5
181.04953	4.0
187.11333	2.9
189.05553	6.9
190.06384	3.3
191.01941	6.2
191.03545	2.6
191.05640	5.9
192.04250	4.4
195.06680	4.3
203.07146	3.3
205.05118	3.9
205.08669	5.8
206.05798	9.6
207.06627	55.0
219.02998	2.8
219.06612	5.1
221.08185	100.0
222.08458	2.9
223.09769	26.3
230.05743	3.2
230.15407	4.2
233.08160	9.4
248.16716	2.7
249.11467	2.4
263.09348	3.4
272.16479	3.4
285.03827	3.3
388.21170	6.6
411.16531	3.0
430.22476	15.0
442.26056	4.5
470.25885	2.9
471.19049	3.4
484.23309	27.9
496.23346	9.8
498.18158	4.0
498.24988	49.2
499.25443	3.4
500.26273	8.0
500.80457	2.3
510.24979	16.2
516.26202	7.1
522.24976	3.7
528.26093	22.2
540.26019	6.5
542.24048	28.2
554.23798	10.5
563.09546	2.7
570.27350	7.1
596.25049	3.2
614.26196	11.9
632.26929	4.1
676.26080	88.1
677.26678	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	676.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	15.4
56.33503	2.3
57.03447	5.6
58.97958	2.4
59.01380	36.3
61.98828	10.8
69.28686	9.5
71.01379	18.4
72.99325	10.8
75.00876	25.3
81.03447	6.3
83.01368	4.7
83.05025	7.1
84.04546	3.1
85.02950	24.1
87.00871	26.8
89.02441	7.8
93.03469	3.6
96.96001	4.9
97.02921	9.8
99.00877	15.6
99.04502	4.0
101.02441	6.5
105.01938	3.0
107.05001	3.8
108.02157	5.5
109.02972	13.1
111.00861	5.6
111.04511	8.3
113.02420	5.5
115.00369	14.7
116.92811	2.9
117.01972	2.6
119.03471	2.6
121.02927	4.9
122.03773	5.2
123.04550	13.8
125.02425	7.8
125.06013	2.7
127.00382	32.6
127.04026	10.6
129.01924	4.3
131.05022	2.7
133.06578	3.4
135.02998	71.4
135.04532	7.8
137.02431	3.3
137.06071	2.4
138.03226	5.9
139.04054	13.6
141.01793	6.7
145.01442	8.1
147.03015	3.6
147.04515	13.7
149.06065	5.4
151.03986	8.5
153.01909	9.5
153.05612	14.9
159.04523	3.1
161.06100	6.3
163.04015	8.1
164.04753	3.1
165.05615	3.8
173.05991	3.2
174.01712	7.0
175.02458	34.3
175.03995	24.6
176.04715	4.9
177.05563	4.9
178.06258	3.4
179.07101	3.5
181.04953	4.0
187.11333	2.9
189.05553	6.9
190.06384	3.3
191.01941	6.2
191.03545	2.6
191.05640	5.9
192.04250	4.4
195.06680	4.3
203.07146	3.3
205.05118	3.9
205.08669	5.8
206.05798	9.6
207.06627	55.0
219.02998	2.8
219.06612	5.1
221.08185	100.0
222.08458	2.9
223.09769	26.3
230.05743	3.2
230.15407	4.2
233.08160	9.4
248.16716	2.7
249.11467	2.4
263.09348	3.4
272.16479	3.4
285.03827	3.3
388.21170	6.6
411.16531	3.0
430.22476	15.0
442.26056	4.5
470.25885	2.9
471.19049	3.4
484.23309	27.9
496.23346	9.8
498.18158	4.0
498.24988	49.2
499.25443	3.4
500.26273	8.0
500.80457	2.3
510.24979	16.2
516.26202	7.1
522.24976	3.7
528.26093	22.2
540.26019	6.5
542.24048	28.2
554.23798	10.5
563.09546	2.7
570.27350	7.1
596.25049	3.2
614.26196	11.9
632.26929	4.1
676.26080	88.1
677.26678	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	676.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16957	1.6
57.03452	1.8
59.01376	14.7
60.01723	1.3
61.98826	1.6
69.54384	1.5
71.01371	7.0
71.02491	1.9
72.00906	4.4
74.02464	3.4
75.22137	1.4
82.06622	1.5
85.02956	3.4
89.02412	4.4
93.03471	7.5
95.02504	1.7
96.00916	5.5
96.96021	1.8
98.01212	2.3
98.02479	4.1
101.02435	6.6
103.10722	1.5
106.04237	2.1
111.00816	1.8
111.01984	4.6
111.05675	7.4
112.00380	2.3
113.02462	7.8
116.05086	3.8
118.06597	1.9
119.05031	11.1
123.00880	2.9
129.10379	3.0
133.05273	2.0
134.06126	9.6
135.04523	13.1
137.07140	3.5
138.03207	6.1
146.06056	5.8
149.84435	1.8
153.05592	3.6
155.08264	73.9
156.08630	2.9
160.04002	2.8
161.04587	1.6
163.03983	12.1
163.05240	2.0
165.06664	3.9
165.10342	3.2
166.08702	3.7
177.74567	1.4
179.02226	3.5
179.03580	1.6
180.03122	2.4
180.06645	43.1
182.04556	2.9
189.06653	2.2
191.05583	2.5
194.04494	5.8
196.06133	3.4
208.07373	2.8
209.09422	2.3
238.07159	4.9
242.11848	3.7
249.08855	2.0
249.57372	1.9
259.14395	2.7
264.10236	5.9
266.11783	7.1
389.14920	1.8
422.20685	1.6
466.19604	3.6
478.29559	1.7
520.21082	8.2
535.22040	2.2
561.28943	4.5
562.29462	7.5
632.27301	43.2
633.27441	4.7
676.25970	100.0
676.35895	25.4
677.26398	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	676.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01374	0.7
69.03452	1.4
69.26251	0.7
69.26646	0.7
71.05033	0.7
73.02942	1.8
77.12701	0.3
83.05034	0.5
84.04533	1.7
85.02940	1.4
85.06585	0.6
86.06120	2.2
87.00896	0.6
87.04512	0.7
93.03457	1.7
96.04533	0.3
96.95995	2.5
97.02940	4.9
98.03747	1.6
99.04514	0.4
101.06068	0.7
105.03447	0.8
107.08654	0.6
109.02972	0.7
110.06104	0.7
111.04518	1.7
111.08141	0.4
112.04046	2.1
113.02449	0.6
115.03961	1.7
119.08612	0.3
119.19118	0.3
120.08247	0.2
121.06707	0.3
121.10226	0.5
123.08120	0.3
123.13420	0.3
124.07672	0.4
132.04486	0.3
133.02965	3.4
133.10252	0.8
135.04555	0.5
136.07640	0.3
137.02396	0.3
137.06088	0.5
139.07616	0.8
144.04546	0.8
146.06116	10.4
147.06488	0.5
147.11794	4.4
154.08765	0.4
159.11775	0.7
160.04086	1.3
161.02475	0.4
161.04442	0.4
161.13277	0.7
162.05611	1.1
166.08707	0.6
173.04521	1.4
177.01926	1.0
184.09827	0.3
190.05078	1.9
191.05603	14.0
192.05888	0.8
198.11426	0.5
213.16470	1.2
215.05611	0.8
248.12863	0.4
250.14476	0.5
256.16931	0.4
257.15543	0.3
272.08826	0.4
300.23352	0.3
312.72552	0.4
323.09937	0.4
326.21210	1.0
337.09543	0.4
344.22293	5.8
344.26193	0.5
345.22977	0.3
351.07230	2.6
351.12866	1.0
352.10489	3.3
353.08771	2.1
362.23383	0.7
370.20334	0.5
388.21289	6.7
404.20776	0.8
406.22327	100.0
407.22696	7.9
568.95160	0.3
650.82556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84025	0.8
59.01385	5.7
61.98819	4.4
62.05731	0.8
69.11777	4.6
71.01395	4.3
78.95904	55.4
85.02971	1.0
87.00872	1.1
89.02457	4.2
96.96966	8.9
101.02461	3.9
113.02475	1.8
119.03440	0.9
125.02435	2.0
126.60036	0.7
132.09859	0.7
143.03484	0.7
152.99586	70.3
161.04521	0.8
171.00681	1.8
178.96027	2.1
179.05661	0.7
185.95396	0.7
223.00125	9.6
235.08133	1.3
241.01189	19.6
259.02307	1.2
279.23291	65.6
280.23532	3.0
280.99030	1.2
315.04874	8.2
355.03070	2.7
388.41946	0.8
397.13455	12.5
397.18268	1.4
415.14474	3.3
468.72226	0.8
476.41736	0.7
558.27124	0.8
595.28900	100.0
596.29218	8.5
617.25610	2.1
637.96838	0.9
657.79742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71537	3.6
59.01367	7.8
61.98821	22.9
66.95743	3.2
69.06894	26.1
93.03465	90.6
94.03793	26.8
95.03880	3.4
96.96015	5.5
116.92828	6.0
137.02440	100.0
138.02782	35.9
139.02945	12.8
149.07443	3.6
150.65930	3.3
162.83952	8.2
163.20071	3.4
171.10254	6.2
186.78403	4.0
197.11827	22.7
207.10242	10.7
225.11313	9.6
247.62489	4.0
387.21658	7.0
461.20126	5.0
557.19299	13.1
623.30402	20.0
641.31580	21.1
656.32849	4.5
677.20966	13.4
677.31049	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	677.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62047	1.0
55.37497	1.0
56.47182	1.0
57.03432	1.3
59.01375	12.2
61.98840	6.7
71.01381	7.7
73.02943	2.1
81.03446	1.3
83.05013	4.3
84.02134	1.1
84.31230	0.9
85.02935	2.9
87.00886	2.6
89.02437	3.3
93.03471	8.3
96.95990	0.9
97.02867	1.0
98.22658	3.2
101.02436	4.5
105.02097	1.0
109.06610	1.4
111.04556	1.5
113.02434	4.6
115.92066	1.9
116.92850	3.1
119.05024	1.5
125.09666	1.4
127.11254	1.7
135.04448	1.4
137.02428	2.2
137.59686	1.0
139.03979	3.8
161.04494	1.8
163.11322	2.4
165.12819	1.9
169.12326	1.5
171.10263	96.8
172.10574	3.0
173.04517	7.4
191.05611	10.4
197.11819	3.4
199.07646	1.1
209.11818	100.0
210.12144	4.1
227.12848	12.9
235.08105	4.0
253.09283	8.1
270.80289	1.3
271.09607	1.2
300.18405	1.1
362.92566	1.2
401.12018	1.6
407.19235	3.5
429.26950	1.1
445.20850	2.5
463.21515	1.3
513.13977	3.1
563.30511	3.5
659.32825	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	677.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20745	1.2
52.08462	1.3
54.96879	1.4
56.62215	1.2
57.03432	2.6
59.01378	41.2
61.98829	39.4
65.03487	1.1
67.02392	1.2
69.03441	2.2
71.01377	17.5
71.04922	1.3
73.02931	5.8
82.95385	3.4
83.01373	3.2
83.05001	3.5
84.95099	3.9
85.02952	8.2
86.74586	1.3
87.00852	4.2
87.04497	1.6
88.61188	1.4
88.98743	1.5
89.02454	7.1
93.03417	4.9
95.01397	1.4
95.05026	2.7
96.95978	3.3
97.06575	6.1
98.22696	2.7
99.00854	2.3
99.04462	1.6
100.93370	1.5
101.01870	1.7
101.02444	16.0
113.02448	11.4
115.92047	2.8
116.92859	7.7
119.03484	3.6
125.09694	3.3
127.11250	3.5
133.02960	1.7
134.03738	1.7
135.03479	1.6
135.04520	24.2
135.08183	1.7
137.02399	3.3
139.03947	4.2
143.03543	1.7
151.07564	1.5
151.11275	19.8
153.09209	2.8
155.03371	1.6
155.10574	1.4
161.04524	5.1
163.11249	2.1
165.12733	2.1
169.12334	100.0
170.12668	1.9
171.10210	6.2
173.04506	5.2
178.27634	1.7
179.03519	13.2
187.11272	3.5
191.05597	11.1
195.10326	2.3
199.09766	3.2
201.11324	33.6
205.12328	4.4
209.11821	39.9
210.12161	2.4
213.11304	13.6
227.12875	3.5
253.09167	6.2
268.94958	1.2
284.25354	1.5
401.16287	1.7
449.20081	4.9
473.27411	1.8
479.33612	2.8
485.21970	2.6
529.21289	1.9
563.30530	15.5
573.30023	1.8
617.35425	1.8
633.31097	34.7
633.41248	2.4
659.32959	71.2
660.32727	4.9
677.33716	47.0
678.33948	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
59.01379	100.0
61.98830	5.4
69.03469	1.8
71.01379	17.0
73.02942	5.4
74.94804	0.9
83.01405	3.0
83.05043	2.1
85.02951	5.1
87.00912	2.1
89.02439	9.7
92.32056	0.9
93.03474	4.1
93.67356	0.9
95.01411	2.9
95.05050	2.9
96.96021	3.3
97.06577	1.9
98.18832	0.9
99.00912	2.0
100.93395	1.0
101.02455	10.8
101.03039	1.3
107.05046	1.1
113.02457	8.2
116.92864	1.2
119.03498	3.0
121.02955	1.4
125.06145	1.9
135.04584	4.0
136.05296	11.2
137.02487	3.0
138.06898	2.9
139.04108	1.5
139.07707	1.5
143.03568	1.7
150.06889	1.6
151.07729	3.3
151.11334	4.7
152.08449	3.3
153.09222	17.3
153.52271	0.9
159.08150	1.2
159.11780	1.5
161.04553	6.2
161.09785	1.1
161.13358	16.5
163.11313	2.3
165.09221	13.7
169.12349	17.3
171.10341	2.8
173.04637	2.6
177.01956	1.2
179.03520	1.4
179.05606	1.8
180.71275	1.0
187.11276	28.3
191.05630	5.0
199.09836	1.6
201.11266	9.0
202.10088	1.2
205.08972	1.5
205.12315	37.6
206.12842	1.5
209.11816	11.9
209.13336	1.1
213.03427	0.9
213.11346	1.4
223.13364	8.6
227.13014	1.8
229.12503	1.4
231.10260	1.4
247.13516	1.4
253.09377	2.8
284.96484	1.1
293.60944	1.0
307.19290	1.3
322.92648	1.0
367.17532	1.6
385.18567	19.7
386.19162	1.7
479.33765	78.1
480.34335	6.3
539.15485	1.7
563.30646	14.2
563.37744	1.0
564.31378	2.1
573.30591	13.3
574.31073	1.4
617.29285	9.4
618.30115	1.6
633.31238	9.5
635.30182	1.3
641.38947	12.2
642.40045	1.4
659.33191	14.5
660.33820	2.8
677.35693	46.3
678.34900	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
59.01379	53.6
61.98803	1.8
69.03446	2.2
71.01015	2.1
71.01380	32.2
72.99286	1.3
73.02927	7.0
76.10563	1.4
77.58495	1.3
78.95910	3.0
81.03471	1.8
83.01389	4.5
85.02942	5.8
85.57251	1.4
87.00880	9.4
89.02439	30.0
95.01404	2.6
97.02953	3.9
101.02441	24.7
113.02451	15.9
119.03508	9.7
125.02428	12.7
143.03496	6.0
161.04527	5.2
162.88617	1.3
179.05574	4.3
191.47324	1.5
221.06815	1.8
235.08171	12.4
253.09277	3.1
259.50754	1.6
279.23279	100.0
280.23505	3.6
287.07761	4.4
305.08853	3.2
379.12558	2.1
397.13504	93.6
398.13486	2.1
415.14578	31.1
416.15112	1.5
531.84705	1.5
644.88971	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	677.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40017	0.1
58.02948	0.2
58.09587	0.1
61.31709	0.2
61.46528	0.1
72.83310	0.1
80.05048	0.2
81.03455	6.2
82.06606	0.4
83.05022	16.9
84.05370	0.2
100.07664	0.3
101.76749	0.2
107.06157	0.4
108.04537	0.5
108.35522	0.1
125.07212	1.1
126.05553	0.5
143.08289	0.7
183.14919	0.2
191.05704	0.2
205.81329	0.1
207.15016	1.3
224.17671	2.6
225.16063	13.1
226.16374	0.2
242.18784	1.0
246.14310	0.1
247.70694	0.2
260.30670	0.2
268.16379	0.2
290.22412	0.2
291.20602	0.2
309.21655	1.0
324.26495	0.6
333.22729	0.9
334.21271	0.2
339.27664	0.3
341.29062	1.1
351.23904	0.2
367.27014	1.1
385.28003	0.2
407.33716	0.4
433.31735	1.4
450.34430	1.5
451.32907	6.6
452.33078	0.5
533.40277	0.2
550.43616	1.0
559.39294	0.3
565.44696	0.2
593.43793	0.7
644.92010	0.2
659.48560	1.5
677.49634	100.0
678.49945	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	677.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40017	0.1
58.02948	0.2
58.09587	0.1
61.31709	0.2
61.46528	0.1
72.83310	0.1
80.05048	0.2
81.03455	6.2
82.06606	0.4
83.05022	16.9
84.05370	0.2
100.07664	0.3
101.76749	0.2
107.06157	0.4
108.04537	0.5
108.35522	0.1
125.07212	1.1
126.05553	0.5
143.08289	0.7
183.14919	0.2
191.05704	0.2
205.81329	0.1
207.15016	1.3
224.17671	2.6
225.16063	13.1
226.16374	0.2
242.18784	1.0
246.14310	0.1
247.70694	0.2
260.30670	0.2
268.16379	0.2
290.22412	0.2
291.20602	0.2
309.21655	1.0
324.26495	0.6
333.22729	0.9
334.21271	0.2
339.27664	0.3
341.29062	1.1
351.23904	0.2
367.27014	1.1
385.28003	0.2
407.33716	0.4
433.31735	1.4
450.34430	1.5
451.32907	6.6
452.33078	0.5
533.40277	0.2
550.43616	1.0
559.39294	0.3
565.44696	0.2
593.43793	0.7
644.92010	0.2
659.48560	1.5
677.49634	100.0
678.49945	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	678.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96476	0.3
59.01363	1.2
61.12345	0.4
61.98829	100.0
69.13036	0.4
93.03477	1.1
96.96042	0.5
106.97268	0.4
109.21022	0.4
113.02426	0.5
137.02429	0.9
156.52211	0.4
173.04578	0.4
175.63945	0.4
191.05707	1.2
197.11961	0.5
209.11938	1.0
251.00720	0.4
284.11243	0.4
418.22934	0.4
520.55658	0.4
524.90784	0.4
572.51416	0.5
615.19153	1.6
617.47351	0.5
664.40973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38531	0.3
59.01374	1.6
61.98827	100.0
69.14118	2.3
71.01388	1.0
75.83060	0.4
85.02953	0.4
92.64942	0.4
93.03453	0.9
96.51147	0.3
96.96009	0.5
98.21889	0.9
133.14085	0.4
137.02455	1.2
147.34125	0.3
162.92813	0.3
171.10289	1.2
173.04590	0.8
191.05664	1.6
197.11778	0.5
198.12247	0.4
209.11839	1.2
210.12180	0.5
212.91692	0.4
216.92999	0.4
321.54660	0.4
362.49350	0.4
465.77374	0.4
615.19122	1.2
617.46729	0.5
677.41217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43768	0.3
61.98830	100.0
63.96895	0.3
64.64920	0.4
76.05859	0.4
83.20724	0.3
84.31456	0.3
89.36333	0.4
91.92274	0.4
93.03454	7.6
98.21885	0.8
110.62782	0.4
134.03685	0.4
137.02440	10.0
138.02742	0.4
141.34705	0.3
162.83902	0.3
235.45184	0.4
353.23758	0.4
493.11169	0.5
495.16830	1.0
615.08893	0.3
615.18652	9.6
616.19214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80013	0.6
59.01360	0.8
66.14558	0.5
67.33062	0.6
70.33064	0.7
70.98906	1.2
85.02942	4.4
87.00864	1.5
89.12115	0.6
93.03423	1.7
109.02955	0.6
111.04504	0.8
112.15681	0.5
112.75429	0.6
127.04025	2.0
135.04468	0.8
141.72812	0.6
146.06041	0.7
152.27237	0.6
161.02448	1.5
173.04514	1.8
179.03557	1.0
183.17325	0.7
191.05598	100.0
192.05937	1.9
223.07294	0.6
324.17999	1.3
344.69742	0.7
353.08716	20.8
571.60272	0.7
580.34552	0.7
698.46600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.297
Annotation	Unknow
Peak:m/z	Relative Intensity
79.89108	77.3
226.20277	83.4
257.90451	70.2
388.47757	83.8
542.70349	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	679.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
59.01381	20.6
59.40615	1.2
61.98827	4.5
69.03462	9.3
69.38762	2.0
69.39153	2.4
71.01379	12.0
72.99294	1.8
73.02946	3.8
78.31134	1.1
83.01405	1.6
85.02950	6.4
87.00887	2.2
89.02445	7.0
93.03456	3.6
95.01392	1.9
95.05026	1.7
96.96011	21.4
99.00890	2.2
101.02446	6.2
107.05029	1.6
109.02930	2.6
111.00882	2.8
113.02448	40.8
113.06103	1.2
114.02772	1.7
115.04003	2.1
116.92854	1.7
119.03561	1.8
119.05081	1.7
121.02950	2.1
123.00891	2.9
123.04494	1.4
125.02441	2.3
127.00381	2.1
131.03487	3.0
134.03749	2.1
135.04539	6.0
136.01637	2.6
136.98798	1.8
137.02441	2.6
137.06116	1.1
138.03230	7.6
139.00368	8.4
139.03995	9.9
143.03462	2.4
147.04532	7.1
151.04001	7.7
153.01921	1.7
155.03548	1.6
159.03047	1.6
159.04503	2.1
161.02423	11.2
161.04552	2.7
162.06961	1.5
163.04039	2.8
164.04811	4.8
165.05573	2.9
166.02708	4.1
173.02446	1.7
173.04572	3.1
175.04019	2.4
176.04788	5.0
177.05594	1.9
178.02679	3.7
179.03493	16.8
179.05026	1.8
179.05661	1.7
179.07120	5.1
180.04221	2.0
188.04759	5.7
189.05672	1.9
191.03635	2.7
191.05589	7.8
191.07214	3.3
193.05022	10.9
194.05820	21.0
195.06447	1.5
203.03519	2.5
205.08771	1.2
209.08186	60.9
210.08537	2.5
226.06404	1.2
241.08723	1.2
251.09195	1.2
254.05577	1.3
298.04797	1.2
313.07245	4.1
323.09329	1.3
325.07196	1.4
327.08859	1.9
327.12555	1.7
328.09488	15.6
340.09293	3.2
343.11844	61.1
344.12225	4.6
355.11847	4.2
373.09161	3.9
373.13284	8.3
380.09659	1.8
385.13034	1.4
388.11487	11.9
389.12402	1.4
403.13968	87.3
404.14337	5.8
473.23990	1.4
535.14734	1.8
550.16339	1.6
565.19257	100.0
566.19635	8.7
635.25482	2.1
679.22260	1.6
679.35107	4.5
680.24506	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	679.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38190	0.5
59.01378	28.2
61.98818	0.8
62.78348	0.5
69.03455	0.8
71.01379	10.6
72.99288	0.7
73.02943	0.9
80.23958	0.5
83.01369	1.4
85.02959	3.0
87.00883	0.8
89.02438	9.2
93.03472	0.9
95.01375	1.6
96.96001	1.2
97.83305	0.6
99.00880	0.8
99.92570	0.9
101.02439	6.2
109.02962	1.7
113.02459	8.3
116.92857	8.2
117.92893	0.9
119.03492	2.6
123.00920	0.8
123.04533	0.7
136.01665	13.7
137.02492	1.6
138.03226	2.0
139.00374	2.3
139.04019	2.7
143.03539	0.6
151.04007	17.4
153.01901	0.8
159.04509	1.8
160.05293	3.4
161.02470	0.8
161.04591	1.0
161.06029	0.7
163.04002	1.6
173.04570	0.7
175.04002	1.0
175.07602	3.6
179.03558	1.0
179.05603	1.3
185.02420	1.1
186.03209	1.2
187.04015	1.2
191.05597	2.3
194.05768	0.9
202.02792	1.1
202.06035	0.6
203.03513	6.6
205.05070	0.6
207.06653	1.1
209.08241	3.0
217.04990	2.3
218.05836	8.4
219.06425	1.2
230.25298	0.6
232.07365	0.8
233.08176	9.9
241.08627	1.7
266.05859	0.6
282.05261	0.7
293.04303	0.6
294.05225	1.0
306.05212	0.7
307.71796	0.6
308.06888	0.6
309.07632	1.3
310.04874	0.7
311.09131	0.6
325.07104	2.5
325.10648	0.6
332.24820	0.6
336.09946	0.8
337.07077	0.9
340.09402	5.1
343.12048	0.7
352.09756	0.7
355.11887	9.4
356.12289	0.9
367.11789	1.9
371.11099	0.6
385.12961	5.1
389.12192	0.8
403.13959	2.2
417.48441	0.6
431.22910	0.7
565.19232	100.0
566.19543	9.3
679.34680	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	679.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51844	0.3
59.01379	1.5
61.98816	1.4
69.24704	0.2
69.95184	0.8
71.01369	1.2
73.02940	0.3
82.95412	1.2
82.95811	0.2
84.95121	0.6
85.02946	0.7
87.00865	0.3
89.02433	0.5
93.03446	0.3
96.96001	1.6
101.02425	0.8
113.02436	0.7
116.92820	0.3
133.02867	0.3
134.03729	0.6
160.01730	0.3
161.04506	0.3
165.05499	0.2
173.04494	0.3
175.03955	0.6
191.05557	0.8
193.05049	0.3
193.33070	0.3
210.10493	0.9
223.95695	0.2
225.09247	1.3
227.10785	0.4
231.07457	0.3
234.15007	0.3
239.07040	0.4
244.26256	0.3
253.08656	3.2
254.09468	58.3
255.09833	2.9
267.10333	0.3
268.11026	0.9
269.11810	100.0
270.12167	5.6
375.20337	0.4
413.15970	3.4
414.16309	0.4
431.17148	2.1
473.18149	2.1
475.20325	0.3
679.35516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35254	0.8
61.98817	3.0
69.10354	6.3
78.95904	3.0
94.04536	0.9
107.05067	1.3
120.10460	1.0
135.04527	1.9
148.05330	1.3
152.99579	2.9
173.06064	1.9
175.04001	3.5
176.04800	4.3
211.07625	2.0
213.05470	1.1
213.09184	1.3
223.07695	1.5
225.09190	8.3
226.09856	2.5
227.07112	1.6
227.10741	4.7
237.09183	2.3
239.10719	3.8
240.07571	0.9
241.04962	2.2
242.05855	1.5
255.06642	6.0
256.07385	43.7
257.08078	8.0
266.09512	1.4
267.10300	7.4
279.23260	1.2
290.09473	1.4
297.14941	1.4
315.14719	1.0
332.10635	1.2
343.13565	1.3
346.11914	1.8
347.12857	28.8
361.14404	5.5
423.19458	1.1
451.19003	1.7
452.19666	4.7
453.20938	1.8
595.28583	1.6
597.30414	1.7
632.27905	1.1
679.30621	100.0
680.30804	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	679.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07351	0.6
55.01876	1.3
59.01383	3.7
61.98814	1.1
71.01380	1.7
72.51389	0.6
74.37536	0.6
78.95894	3.1
85.02925	1.0
89.02427	1.4
89.04700	0.6
92.09945	0.7
101.02431	1.4
107.05031	1.8
113.02506	0.7
119.03582	0.9
122.03727	5.9
123.04510	2.4
125.02388	0.9
135.04538	3.5
135.07610	0.6
136.05318	5.4
137.02402	2.1
148.05357	0.8
150.03226	4.0
151.03998	4.4
152.99570	2.9
188.50763	0.7
199.07689	0.9
199.13683	0.7
201.95198	0.9
202.06293	0.9
211.07619	4.0
213.09187	7.9
223.07622	1.8
225.09221	11.1
226.09993	3.7
227.07137	3.0
227.10759	24.3
229.05092	1.5
235.08150	1.3
237.09279	0.8
239.07176	3.7
239.10693	1.5
240.07701	1.5
241.08685	16.8
242.09135	1.4
243.06570	0.8
252.07948	1.2
254.05861	1.2
255.06610	15.0
256.07416	13.8
257.07983	2.2
258.09009	0.8
265.12244	0.7
268.07336	0.9
269.08054	1.3
271.06104	6.9
272.06827	3.2
279.10291	1.1
281.24921	7.8
293.11948	1.1
315.13824	1.6
333.14929	2.0
343.13260	1.7
345.11142	1.9
346.12103	8.4
347.12805	8.8
349.14496	1.9
359.12796	1.5
361.14413	4.8
362.11313	3.3
363.12140	2.0
377.14029	10.0
377.18503	1.4
397.13437	5.1
415.14481	1.9
423.19443	1.2
451.19199	4.9
452.19986	6.8
453.20502	1.2
468.19220	4.7
574.23260	1.5
597.30219	2.9
635.27924	0.8
679.30554	100.0
680.30890	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.2
61.98785	1.1
66.76874	0.9
69.03450	1.4
71.01363	1.7
85.02924	1.2
113.02441	8.3
139.31171	1.0
146.06145	1.3
162.16319	1.1
191.05566	4.4
197.02191	3.4
247.19382	1.0
297.95364	1.4
319.22775	2.6
377.45541	1.2
473.27365	1.5
481.28055	54.5
482.28458	3.8
528.73547	1.1
613.27319	1.1
679.30914	100.0
680.31085	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	679.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17657	0.2
55.01866	0.2
57.03442	0.4
59.01376	100.0
60.01699	0.5
61.98837	0.5
66.91896	0.2
69.11999	0.2
69.20970	1.1
71.01379	3.5
73.02947	0.9
75.25476	0.2
79.05529	0.2
83.01390	0.5
83.05029	0.7
85.02967	1.2
87.00897	0.2
89.02435	2.2
95.05041	0.4
96.96009	0.4
101.02433	2.7
107.05009	0.2
111.00871	0.2
111.04537	0.4
113.02441	1.7
115.88342	0.2
119.03506	0.9
120.05795	0.5
123.08162	1.2
125.44716	0.2
132.05774	0.3
135.04541	0.6
139.03999	0.5
143.03462	0.5
148.08885	0.3
159.02974	0.4
159.08176	0.5
159.11833	0.7
161.04558	2.4
161.09830	0.3
161.13361	8.3
162.13721	0.3
163.11293	1.0
165.47411	0.2
169.10135	0.3
172.08925	0.4
173.04524	0.2
179.05573	1.2
181.05099	0.4
185.09724	0.6
185.13336	1.0
187.11272	27.8
188.11644	0.5
189.09192	0.5
189.12834	1.2
191.05579	0.8
191.62642	0.2
201.11353	0.6
203.14362	1.5
205.12320	12.7
206.12695	0.5
207.13910	1.8
209.11819	0.5
219.13968	0.4
221.21725	0.3
225.14902	0.7
229.12328	3.9
231.10220	0.4
247.13365	2.9
249.11325	0.5
259.13339	0.5
276.57016	0.2
277.14496	0.9
291.12277	0.3
307.15503	2.4
367.17569	0.5
387.20233	1.6
387.90759	0.2
557.30450	0.3
565.32532	0.3
575.32166	5.7
619.31268	5.0
620.31616	0.4
635.25116	0.2
635.34424	0.9
637.32349	0.9
679.33331	15.4
680.33539	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	679.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
59.01377	100.0
60.01733	0.5
61.98829	4.1
69.03475	0.4
69.76646	0.5
69.76991	0.4
71.01379	3.4
73.02953	0.8
81.03439	0.4
83.01396	0.2
83.05019	0.5
85.02943	1.3
87.00894	0.8
89.02444	1.7
93.03508	0.4
95.05030	0.6
96.96026	0.5
97.02951	0.2
98.21896	0.3
99.04490	0.4
101.02437	1.5
105.07077	0.3
106.04270	0.3
107.05030	0.4
107.57289	0.2
113.02453	2.1
116.42627	0.3
116.92880	0.4
118.48138	0.2
119.03532	0.5
120.05895	0.2
123.08146	0.9
135.04523	0.6
137.09721	0.4
138.56801	0.2
139.04008	1.7
143.03508	0.4
151.56828	0.2
153.09262	0.3
157.06616	0.3
159.11761	0.7
161.04520	1.8
161.09735	0.6
161.13361	6.5
163.11320	1.1
165.09334	0.3
170.12732	0.3
172.08907	0.2
173.04556	0.7
177.01997	0.3
179.03502	0.3
179.05579	0.5
187.11273	18.6
188.11586	0.6
189.09239	0.8
189.12918	1.6
191.05600	2.3
201.11310	0.3
203.10771	0.2
205.12326	10.9
206.12619	0.4
207.13896	1.7
209.11826	0.6
225.07616	0.4
225.14951	0.5
229.12361	0.7
231.10315	0.5
247.13327	0.5
249.11432	0.4
291.12430	0.3
309.13409	0.4
351.75415	0.3
387.13007	0.9
387.20096	2.0
414.44330	0.3
471.18814	0.6
479.34097	2.1
480.33646	0.3
481.34662	0.7
526.01581	0.3
565.31683	0.5
575.24567	2.2
575.32257	5.7
576.24670	0.4
601.29889	0.3
619.22888	0.3
619.31390	3.9
620.31580	0.5
635.34174	0.5
637.32172	0.5
641.38770	0.3
661.33496	0.5
679.33423	15.6
680.33936	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	679.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01377	100.0
60.01717	0.5
61.98824	1.4
64.92222	0.2
69.13994	1.3
71.01379	3.2
71.74129	0.2
71.86012	0.2
73.02946	0.7
79.05524	0.2
81.03463	0.3
83.01369	0.4
85.02975	1.3
85.82536	0.2
87.00906	0.7
87.32645	0.2
89.02435	1.2
93.03458	0.2
95.01353	0.3
95.05035	0.6
96.96000	0.3
101.02454	1.6
107.05037	0.6
113.02465	1.8
116.92876	0.3
119.03502	0.6
119.05088	0.2
120.05798	0.6
123.08172	0.9
127.84885	0.2
135.04535	0.6
139.04012	1.5
157.06596	0.4
157.50053	0.2
159.08112	0.4
159.11864	0.6
161.04553	2.0
161.09772	1.1
161.13356	6.4
163.11302	0.8
172.08850	0.3
173.04591	0.5
179.03502	0.3
179.05626	0.6
187.11278	20.5
188.11609	0.6
189.09166	1.2
189.12857	1.4
191.05602	1.6
201.11151	0.3
203.14423	0.4
205.12325	10.7
207.13896	2.3
225.14958	0.5
226.06380	1.9
229.12384	0.6
231.10262	0.6
241.08733	1.3
247.13434	0.6
249.11334	0.7
387.20331	1.6
403.13922	1.4
440.60602	0.2
575.32214	4.5
576.32526	0.3
619.31305	3.8
619.81427	0.4
635.34326	1.0
637.32422	0.6
679.33252	10.2
680.33514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
59.01379	53.2
60.01703	0.5
61.98829	100.0
67.01920	0.4
69.03448	1.0
70.42350	0.9
71.01374	11.5
72.99332	0.5
73.02947	19.6
75.00893	0.4
75.88584	0.4
81.03457	0.5
82.95422	0.7
83.01389	5.1
85.02947	3.9
86.47587	0.4
87.00880	1.3
89.02443	4.2
93.03443	2.2
95.01384	0.6
96.96018	1.0
97.02943	0.4
99.00900	0.6
101.02441	20.3
102.02750	0.5
111.04456	0.5
113.02454	9.9
113.64536	0.4
116.92848	0.9
119.03516	3.8
121.02953	0.5
123.04516	0.4
125.02431	0.8
131.03511	2.3
133.02995	0.4
135.04478	1.4
137.02435	0.5
139.04001	3.8
140.04344	0.5
140.90475	0.4
143.03503	2.7
147.02985	0.5
149.04559	5.3
155.03503	0.7
157.18315	0.4
159.72704	0.4
161.04558	9.7
161.13306	0.7
171.10246	0.4
172.10464	0.5
173.04527	2.3
179.05635	0.7
181.05045	0.5
187.11244	1.1
189.43044	0.4
191.05626	8.4
192.05991	0.4
201.11243	0.9
203.05533	0.9
205.12325	0.5
209.11731	1.2
219.06566	1.4
221.06671	2.6
272.13120	0.4
322.40073	0.5
351.08786	0.8
379.08331	0.4
379.19522	0.4
387.12619	0.7
388.13101	1.1
411.16464	0.4
458.79749	0.4
463.03198	0.4
513.14136	0.5
543.74780	0.4
565.31635	0.7
566.31567	0.6
575.24139	1.4
576.24896	2.3
679.33734	1.0
680.34113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23603	0.3
55.53771	0.4
57.03452	0.5
59.01377	100.0
60.01716	2.3
61.98827	99.2
69.03448	0.8
71.01379	14.3
72.99301	0.4
73.02945	26.3
81.03482	0.5
83.01381	6.4
85.02953	4.3
87.00871	1.4
89.02443	4.7
93.03466	2.0
95.01379	0.7
95.04967	0.5
96.96008	0.9
97.02941	0.6
99.00858	0.5
101.02440	23.0
107.05010	0.6
109.02877	0.4
111.04501	0.4
111.56472	0.4
113.02447	11.2
116.92851	0.7
119.03522	3.9
123.08163	0.5
125.00140	0.4
125.02437	1.1
131.03564	2.3
135.04510	1.0
136.05289	0.7
139.04010	2.4
140.04390	0.7
143.03505	3.3
149.04561	5.0
155.03470	0.9
161.04549	10.2
161.09662	0.6
161.13318	1.8
163.11217	0.5
165.09108	0.4
173.04486	2.2
179.03566	0.4
179.05411	1.0
182.21681	0.4
187.11293	6.7
188.11528	1.9
191.05588	8.2
192.05894	0.7
203.05547	0.9
205.12311	3.4
206.12564	0.7
207.13824	0.6
209.11685	0.7
215.77325	0.4
219.02917	0.4
219.06514	1.4
221.06628	2.6
226.06215	0.8
227.06583	0.5
330.28210	0.4
353.08514	0.5
383.84534	0.5
403.13702	0.5
404.13779	0.5
481.35278	2.5
482.34915	1.4
565.30988	0.6
573.14856	0.5
575.31781	0.9
576.31525	0.9
584.20569	0.4
588.67841	0.4
619.30652	0.7
620.30896	0.6
636.33105	0.5
643.40027	0.6
644.40070	0.7
679.32898	2.3
680.33496	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	680.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	100.0
65.21529	27.2
70.81748	50.8
99.23827	27.4
118.52766	28.9
259.90768	32.4
260.74008	30.9
408.46219	26.8
637.19543	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	680.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54026	0.3
57.03444	7.1
66.03484	1.5
68.05050	1.6
69.03443	1.8
69.22232	0.4
69.36422	0.9
69.36815	0.7
70.22990	0.4
71.01382	0.3
72.00909	17.5
76.19840	0.3
86.06136	0.6
87.00882	0.9
90.97361	0.4
96.04514	0.6
97.02982	0.4
103.38978	0.4
113.02458	3.2
114.05605	15.8
130.05119	2.0
132.06747	0.4
140.03532	1.0
140.37238	0.3
158.04584	100.0
159.04909	2.5
175.02504	0.4
176.05637	75.7
177.05949	1.7
244.36963	0.4
322.82059	0.4
380.04190	0.4
438.25085	0.4
617.68909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91398	0.3
59.01377	5.4
61.98828	100.0
67.01904	0.4
68.51571	0.3
71.01396	0.8
76.06170	0.3
85.02960	1.3
87.00883	0.3
89.02438	0.4
92.13448	0.3
93.03460	1.5
96.96038	0.5
101.02441	0.7
102.02781	0.3
109.02950	0.3
113.02449	0.6
116.92857	1.5
135.04527	0.7
137.02464	0.5
143.03618	0.3
150.91760	0.3
154.77353	0.3
173.04576	1.4
187.11214	0.4
191.05623	3.0
192.14165	0.3
209.11859	1.0
302.98300	0.3
513.30646	4.8
531.31384	1.7
555.33234	0.4
573.33105	1.2
680.34406	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	681.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14116	0.7
64.20588	0.8
67.28741	0.8
68.46878	0.8
68.60345	0.7
69.39384	3.7
71.01378	15.3
72.49996	0.8
78.01106	1.5
89.00333	1.7
89.03996	0.7
93.03470	0.9
95.30544	0.8
106.00597	2.7
106.89164	0.7
111.04539	1.5
112.07511	0.8
115.00375	6.9
117.03465	3.0
120.99693	1.2
121.02954	30.9
123.00910	1.0
134.03738	30.0
138.03183	2.6
149.06053	3.4
153.05576	24.1
155.03542	1.5
173.04524	2.9
182.02193	4.3
188.99702	0.8
191.05595	1.9
193.05057	46.2
194.05470	1.4
197.04552	100.0
198.04767	2.2
257.44443	0.9
287.94504	0.8
306.66238	0.8
313.05649	5.5
347.63742	0.9
367.10312	22.0
458.30344	0.8
654.11945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51669	0.5
56.38993	0.5
67.02770	0.5
71.01378	14.0
78.01104	1.2
83.01341	0.5
89.00318	1.8
91.01875	0.7
91.63103	0.5
93.03479	0.8
96.95946	0.8
98.21786	1.1
106.00600	2.7
111.04493	1.0
115.00359	6.4
117.03470	3.3
120.99603	0.6
121.02957	32.7
122.03302	0.6
123.00879	2.0
126.34118	0.5
127.00418	0.7
134.03740	31.3
138.03227	4.3
139.04036	0.5
149.06070	2.9
153.05566	27.1
155.03430	1.2
166.99878	1.7
167.03436	0.8
173.04518	2.3
182.02191	4.8
191.05586	1.7
193.05045	44.0
194.05330	1.1
197.04541	100.0
198.04874	1.7
254.27916	0.6
273.47998	0.6
309.58594	0.5
313.05640	5.8
338.19791	0.8
339.20007	0.6
367.10284	21.9
374.53583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94699	0.3
57.88508	0.3
59.01373	4.0
60.01748	0.4
61.98825	0.7
69.11636	2.0
71.01376	1.8
71.05010	0.4
73.02941	0.6
74.22730	0.3
74.82677	0.3
75.87764	0.3
83.01385	0.4
85.02924	0.9
89.02442	1.1
93.03448	0.5
96.96013	0.3
97.59330	0.3
98.22607	0.6
101.02435	1.0
113.02450	1.4
113.06100	0.8
115.03996	1.0
116.92896	0.5
119.03464	0.4
123.04494	0.3
128.14366	0.3
137.06117	0.9
139.04015	4.1
152.57138	0.4
159.02982	1.2
161.04550	0.4
165.05521	0.5
173.04517	0.5
179.05574	0.4
183.15312	0.4
191.05569	1.5
197.06067	3.2
201.03981	1.9
209.08165	0.6
239.07217	0.7
240.04240	6.3
241.05005	3.1
243.10307	3.0
244.10905	0.3
255.06630	26.8
256.07321	5.9
270.08850	0.4
271.09750	100.0
272.10098	5.8
405.15494	1.1
433.15015	26.2
434.15189	1.8
475.16049	6.1
476.16269	0.7
567.30530	0.6
681.26538	0.4
681.37000	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	681.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34492	0.3
59.01158	0.3
59.01374	3.1
61.47314	0.4
69.37961	1.6
71.01373	3.9
73.02956	0.7
83.01380	0.4
85.02961	1.8
89.02439	3.0
93.03410	0.6
95.01379	0.5
101.02444	2.4
108.02124	0.5
109.02944	0.4
109.12895	0.4
113.02470	1.8
114.41135	0.4
119.03498	0.9
121.02193	0.5
121.02938	3.0
122.03754	2.7
123.04512	0.7
129.38646	0.3
131.76051	0.3
134.03726	0.8
136.01657	49.3
137.02303	1.1
151.03998	81.3
152.04353	1.2
155.45879	0.4
159.02975	0.4
159.04475	0.7
160.05241	1.3
161.02414	0.4
161.04555	4.5
162.03252	1.0
163.03999	0.9
175.07637	1.3
177.05615	0.9
179.05565	1.3
189.05518	0.5
228.51836	0.4
309.11374	0.4
311.12952	0.6
339.12384	0.8
342.11014	4.3
357.13409	100.0
358.13736	5.5
493.27893	0.4
501.17691	1.1
519.18884	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	681.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.66281	0.8
57.03428	1.7
58.00601	1.6
59.01379	100.0
69.03453	3.9
69.51586	3.3
70.91176	0.8
71.01382	70.5
73.02945	8.5
81.03441	2.5
83.01389	4.5
85.02957	14.6
87.00890	6.4
89.02445	75.2
90.02784	0.8
93.03445	1.5
95.01366	5.2
97.02950	7.9
98.21922	1.7
98.66621	0.9
99.00869	2.3
101.02441	50.7
107.01424	0.9
109.02977	0.8
111.00883	1.2
113.02448	28.7
119.03508	38.3
121.02949	2.6
122.03700	1.2
125.02454	28.8
129.01947	1.0
131.03499	8.3
134.03641	1.0
136.01666	35.3
137.02408	1.6
139.04010	2.1
141.01938	1.0
143.03513	11.3
149.04543	4.0
151.04012	33.6
151.05232	1.9
151.52942	0.9
153.01865	0.9
159.03104	1.0
161.04561	12.5
167.03543	1.2
179.05618	23.0
191.05513	1.0
194.36447	0.9
195.06717	1.2
203.05470	1.1
221.06645	20.5
245.06697	4.8
263.07724	9.3
264.27725	0.8
309.07712	2.2
323.09836	31.6
324.10086	1.2
327.12408	1.9
339.12253	1.5
342.11182	1.1
357.13388	10.2
362.61884	0.9
387.14474	1.3
401.92856	0.9
402.40613	0.8
409.29794	0.9
424.50629	0.9
433.14871	1.0
435.44363	0.8
501.18420	1.1
517.23889	1.0
681.22961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64717	1.2
55.01864	5.0
57.03434	5.3
58.00576	1.3
59.01377	94.2
61.98837	1.4
68.99798	1.7
69.03441	5.9
71.01379	100.0
72.99286	4.4
73.02944	22.7
75.00871	2.3
81.03452	3.8
81.07341	1.2
83.01383	13.7
85.02948	52.7
87.00881	20.2
89.02442	56.8
93.03442	3.8
95.01380	6.4
96.96014	2.1
97.02946	15.1
99.00877	28.2
101.02438	76.2
108.02224	1.8
111.00865	7.4
113.02448	59.3
113.03253	2.9
115.04015	2.5
119.03506	24.5
121.02951	4.8
122.03692	1.9
123.00953	2.7
125.01631	1.7
125.02457	22.9
131.03491	11.0
136.01663	54.8
137.02408	5.9
137.06096	1.7
141.01944	3.5
143.03497	30.9
145.05051	2.1
149.02399	1.3
151.04007	48.5
151.05237	2.4
155.03490	3.1
159.03047	6.5
159.04263	1.4
161.04552	63.1
162.03104	2.0
165.09198	1.4
166.99849	1.5
167.03578	1.4
173.04533	1.8
177.05518	2.1
179.05627	21.7
182.02194	5.9
182.85555	1.2
190.02742	2.3
193.04951	1.3
195.06702	1.3
197.04529	6.7
203.05585	6.1
205.05063	1.7
211.06070	1.4
221.06642	42.4
243.10098	1.9
245.06656	35.6
253.12367	2.4
263.07712	37.0
271.13242	1.6
271.43713	1.6
287.07648	3.3
305.08792	6.2
323.09824	82.7
324.10297	2.6
342.11237	2.7
353.08621	1.4
357.13464	19.6
367.10278	5.3
375.93695	1.3
383.68753	1.2
433.15002	4.1
445.82623	1.3
469.45313	1.3
519.14935	3.1
565.15607	4.3
637.21436	3.8
681.23334	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70930	0.3
59.01375	5.4
70.22294	0.3
71.01065	0.4
71.01384	4.9
71.04938	0.5
73.02927	1.1
74.22726	0.4
77.56500	0.3
78.21167	0.3
79.41309	0.3
85.02946	1.9
89.02448	3.4
92.02693	0.5
93.03427	0.5
95.01349	0.5
101.02444	2.4
108.02184	0.8
113.02457	2.3
116.99865	0.3
119.03507	1.1
121.02952	2.5
122.03760	2.0
123.04532	0.8
134.03725	1.1
136.01656	49.8
137.02312	1.0
143.03546	0.5
149.06097	0.6
151.04001	84.6
152.04381	1.2
159.03009	0.4
160.05301	1.0
161.04549	4.5
162.03203	0.7
163.03992	0.7
175.07631	0.9
176.09703	0.4
177.05527	0.6
179.05672	2.2
203.07150	0.5
235.74620	0.5
241.05017	0.5
309.11624	0.8
311.12943	0.8
339.12302	1.0
342.11047	4.2
343.12289	0.4
357.13425	100.0
358.13745	4.6
389.13437	0.4
391.98785	0.3
501.17697	1.2
519.18701	3.2
680.99115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04323	0.4
59.01384	2.6
61.98820	1.7
70.15406	0.5
70.20687	0.7
71.01379	1.7
82.95402	0.5
87.00878	0.5
88.98797	0.6
89.02435	0.8
93.03453	0.9
96.96049	0.6
101.02425	0.6
106.04243	3.1
113.02451	0.7
121.02934	0.6
136.01610	0.6
149.02458	0.6
149.06053	0.9
150.06863	11.8
151.04001	0.7
161.02371	0.6
161.04555	0.7
161.09570	0.5
165.09203	22.1
166.09550	0.7
173.04526	0.6
178.78383	0.5
189.20886	0.5
191.05579	0.7
205.08607	0.8
262.47058	0.6
271.13394	100.0
272.13724	4.4
415.17554	5.4
433.18698	6.3
434.26404	0.6
475.19745	11.5
476.20117	0.6
621.35156	0.9
639.36243	0.7
681.37195	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	681.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71834	0.2
55.01877	0.4
59.01379	1.5
61.98814	0.2
68.65321	0.2
70.73816	0.4
71.01373	2.0
73.02944	0.7
83.01390	0.3
85.02959	0.9
93.03484	0.3
99.00848	0.3
101.02449	1.0
113.02445	0.8
116.59410	0.2
116.92881	0.5
118.21446	0.2
135.04546	0.3
143.03513	0.3
149.06079	0.7
150.06868	11.2
151.07208	0.2
157.99051	0.2
161.04549	3.2
165.05586	0.2
165.09212	1.7
193.10176	0.4
195.11798	2.9
237.09103	0.3
239.10742	3.3
239.12946	0.3
241.08841	0.2
253.08568	0.2
254.09499	0.4
255.10075	0.4
269.11877	0.7
270.12042	0.5
271.13382	100.0
272.13739	3.6
280.91760	0.2
415.17523	4.1
433.18625	6.5
475.19617	2.1
681.36945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33909	0.6
55.01882	1.0
57.03447	4.9
59.01377	100.0
60.01689	1.0
69.03458	5.5
71.01379	57.1
71.42197	0.8
72.99293	1.7
73.02940	1.7
79.71066	0.7
83.01358	2.3
85.02941	9.9
87.00861	3.2
89.02443	70.6
93.03457	1.0
95.01392	4.0
96.96002	3.0
101.02441	26.8
113.02450	38.5
116.92852	1.6
119.02634	1.8
119.03496	28.3
125.02422	1.3
125.12921	0.8
129.01932	0.8
131.03499	5.3
134.07401	0.8
136.01653	3.3
143.03493	9.3
147.02985	0.8
149.04553	2.8
149.09695	2.2
151.04016	3.6
161.04546	12.7
164.07219	1.1
173.04492	1.1
176.01103	1.5
179.05602	52.1
191.05643	3.2
206.08250	1.7
236.94659	0.8
262.04587	0.8
280.79227	0.8
294.16946	1.2
357.13318	7.4
405.21249	5.5
525.13611	0.8
567.26538	54.8
568.26929	3.5
681.29681	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	681.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72890	0.7
55.01868	0.9
57.03437	5.1
58.00602	1.1
59.01377	100.0
69.03452	11.7
71.01379	54.3
72.99305	1.4
73.02957	2.2
74.02487	1.1
83.01414	1.6
85.02951	10.1
87.00876	3.3
89.02443	67.4
95.01394	2.8
96.95995	0.9
98.00110	0.8
101.02442	31.7
107.03498	0.8
113.02447	58.1
113.06120	0.9
114.02816	0.9
114.38729	0.6
116.92900	0.8
119.03500	28.9
131.03459	3.1
131.07103	3.4
143.03496	8.4
149.04588	2.2
149.09795	2.5
161.04562	10.8
170.92979	0.7
173.08226	2.4
179.05600	41.7
190.02737	1.1
191.05534	0.7
205.05112	1.0
207.13939	2.0
245.09314	2.8
290.98453	0.6
312.10059	0.7
327.12433	1.3
357.13361	1.2
375.14810	1.4
383.25989	0.7
405.15482	3.8
405.21310	4.4
519.14948	1.3
561.81207	0.8
567.26575	29.8
568.26917	2.3
611.36353	0.7
681.29736	82.3
682.30078	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	681.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
57.03430	2.5
59.01376	62.7
61.98817	2.3
69.03465	0.8
69.67390	1.5
69.67767	1.5
71.01379	40.3
71.27461	0.6
72.99291	1.9
73.02943	8.3
73.76453	0.7
83.01385	5.3
83.05021	0.7
85.02950	14.5
85.06540	0.6
86.08706	0.6
87.00890	3.2
89.02442	18.4
93.03458	1.9
93.07104	0.7
93.76013	0.7
95.01391	4.1
96.96006	1.2
97.02950	1.2
99.00865	2.5
101.02435	24.0
107.05015	0.7
109.02959	1.2
111.00867	2.0
111.04507	1.0
111.08163	0.7
112.05769	0.7
113.02449	14.1
113.06065	1.6
115.00381	1.1
115.03979	1.5
116.92805	1.2
118.33516	0.6
119.03512	7.5
121.06633	0.7
122.03726	2.5
123.00870	2.3
125.02444	1.5
129.01923	1.1
134.06116	1.0
135.04527	3.2
138.03163	1.3
139.03987	8.6
143.03526	1.8
153.05530	1.0
155.30385	0.6
157.05026	1.3
159.02963	3.1
161.02383	0.7
161.04550	6.2
165.05554	1.6
166.99820	3.8
167.03525	0.6
173.04575	1.8
179.05554	2.1
182.02234	7.7
183.02763	0.7
191.05647	4.4
197.04535	14.1
201.04091	3.5
201.14931	1.2
210.87480	0.6
227.16557	2.1
229.18013	1.5
241.64542	0.7
243.07823	1.1
243.10213	12.8
244.10713	0.9
320.22552	0.8
363.20224	22.3
367.14059	1.5
389.21915	1.5
391.23483	1.5
405.15750	3.7
411.16440	0.8
429.24722	1.5
501.30609	3.7
519.31738	8.1
521.20300	1.1
565.19000	1.9
567.30719	1.1
599.18054	0.7
649.21936	1.4
681.36920	100.0
682.25812	1.1
682.37213	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	681.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08665	0.5
55.01872	2.6
57.03437	1.7
57.88776	0.5
58.00579	0.7
59.01378	52.5
61.98830	3.3
65.24516	0.5
69.03458	0.7
69.33672	0.9
69.34060	1.5
70.04466	0.5
71.01381	35.9
72.10054	0.5
72.99294	1.2
73.02950	6.6
83.01383	4.1
83.05030	0.9
85.02947	12.2
87.00868	2.7
89.02442	20.3
93.03456	1.6
93.07088	0.8
94.66810	0.5
95.01389	3.6
96.96004	1.2
97.02933	0.9
99.00878	2.1
101.02438	21.9
107.05049	0.7
109.02945	0.9
109.06626	0.5
111.00867	1.7
113.02452	13.9
113.06074	1.4
115.04018	1.6
116.92872	3.2
119.03501	6.0
119.04996	0.7
122.03752	0.8
123.00885	0.7
125.02430	1.3
135.04529	2.1
139.04015	8.1
140.04410	0.8
141.01936	0.6
143.03481	2.3
149.04605	0.7
159.02992	2.9
161.04561	3.7
161.08276	0.6
165.05550	0.9
167.03445	0.6
171.10260	1.0
173.04469	1.4
177.01855	0.7
179.03458	1.1
179.05630	1.7
191.05626	3.8
199.17064	0.8
201.04065	3.4
201.11240	0.7
227.16522	1.8
229.18030	1.4
232.48912	0.6
243.10205	6.2
294.96857	0.6
312.65088	0.6
389.21838	2.0
390.22559	1.2
391.23181	1.9
405.15753	2.8
405.20374	0.7
429.24954	2.1
483.29895	0.8
501.30713	4.8
519.31738	7.9
567.30603	2.0
621.35107	4.1
639.35822	2.5
681.37006	100.0
682.26080	1.0
682.37408	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	681.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89082	1.0
52.69617	0.8
55.69580	0.9
60.68103	1.0
71.21099	1.2
106.04235	5.1
107.05025	10.8
109.02938	2.2
115.08118	0.9
121.02958	8.4
122.03744	10.7
123.04520	11.8
125.02440	3.5
135.04488	1.0
137.02441	2.2
138.03200	1.4
145.96028	1.1
150.03220	2.6
151.04030	6.8
165.01909	1.8
166.02684	3.0
167.03537	6.1
193.08749	1.1
221.08186	4.0
237.07658	4.7
389.26947	2.6
391.28546	43.8
392.28802	4.2
406.26965	1.5
407.28009	32.7
408.28589	2.0
443.31561	4.1
459.31085	5.9
461.32742	11.9
477.32166	31.2
478.32550	3.7
496.09726	1.1
617.01105	1.1
681.40039	100.0
682.40320	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	681.4004
Annotation	Rubescensin M
Peak:m/z	Relative Intensity
59.47521	0.8
65.09277	0.9
71.20904	1.4
73.83349	0.8
93.03436	1.1
106.04224	3.1
107.05023	5.5
109.02908	1.1
121.02962	5.1
122.03723	2.1
123.04529	1.7
134.03815	1.0
135.04471	1.4
137.02434	2.7
150.03198	2.0
151.04007	6.8
165.02020	2.1
174.06813	1.8
175.07619	4.3
193.08672	4.9
219.06697	1.5
221.08090	1.0
237.07658	7.2
313.74979	0.9
373.27155	2.0
391.28580	13.9
407.28107	4.6
419.27814	2.8
432.52264	1.1
441.29602	1.3
443.31577	1.4
459.31152	13.6
461.32614	2.3
477.32126	17.7
539.30597	1.0
611.35699	1.5
663.39038	3.4
669.95007	1.2
681.40033	100.0
682.40363	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40438	1.2
56.84424	1.1
57.00112	1.3
71.38701	1.2
93.03438	1.5
95.75457	1.1
106.04238	1.3
107.05016	4.9
109.02927	1.5
117.03452	2.4
121.02979	7.9
122.03732	3.5
135.04504	6.6
151.03966	3.4
160.64511	1.1
161.02461	2.1
165.01904	4.0
175.07616	1.9
176.08430	4.1
177.09201	4.7
179.03522	2.8
179.07103	1.6
193.08667	7.3
215.51221	1.1
216.38501	1.3
219.06667	2.2
221.08194	3.7
237.07654	14.2
345.11954	1.2
353.16162	1.4
377.26788	1.4
391.28693	6.1
405.26514	7.3
407.28201	2.1
419.28009	5.2
432.61261	1.2
443.31604	12.1
459.31235	3.7
461.01419	1.3
461.32849	11.7
477.32040	2.6
562.99078	1.2
600.69586	1.9
681.40045	100.0
682.40234	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	683.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01080	0.5
59.01376	10.6
60.82657	0.4
67.01884	3.1
69.03452	1.5
71.01379	5.4
73.02936	0.6
73.65343	0.3
81.03461	0.8
83.05004	0.3
83.68764	0.4
85.02944	4.8
87.00880	3.1
89.02436	5.2
93.03458	15.6
95.01382	0.6
95.05045	0.4
98.21849	0.5
99.00868	0.5
99.04495	0.7
101.02428	2.2
105.03439	1.3
107.04991	0.6
107.88850	0.3
108.02190	0.3
109.02922	1.2
111.00839	0.5
111.04509	2.6
113.02447	4.6
114.02873	0.3
116.92856	2.0
119.03521	1.6
121.02945	0.8
123.04511	0.5
125.02439	0.7
125.27087	0.3
127.04009	1.5
129.01932	0.4
133.02950	6.1
134.03709	1.3
135.04523	16.8
137.02437	0.9
137.06062	0.6
139.00337	2.2
140.01144	1.3
143.03511	0.6
153.01926	1.5
154.02704	1.4
155.03497	3.9
161.02429	5.1
161.04541	0.8
161.94069	0.4
167.03540	0.4
171.02945	0.4
173.04549	10.7
174.04829	0.4
177.01923	1.4
178.02594	0.4
179.03496	13.1
179.05559	1.0
180.05922	0.4
186.06680	0.3
191.05602	100.0
192.05989	2.8
203.03493	0.5
245.09387	0.5
299.11130	0.4
304.09348	0.4
307.08295	0.5
317.08759	3.4
335.07782	0.6
353.08755	41.1
354.09012	2.3
367.10107	2.0
395.09821	7.7
396.10046	0.5
425.10767	1.1
455.11972	2.1
456.12329	0.4
514.13202	0.4
515.14252	1.1
521.12927	0.7
569.27631	2.3
608.22632	0.8
682.30341	0.7
683.18311	9.3
683.30756	3.7
684.18396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.7
60.01698	1.4
67.01908	2.0
69.03447	1.4
71.01382	10.5
72.70818	1.0
73.02950	1.9
74.72460	1.0
77.04005	1.6
83.01378	1.8
83.05012	2.7
85.02950	6.1
87.00888	2.3
89.02442	8.3
93.03443	10.4
95.01405	1.2
95.05025	6.8
101.02441	5.3
105.03465	12.9
107.05052	1.9
109.02954	3.6
110.75607	1.2
111.00908	1.1
111.04522	6.1
113.02451	12.3
116.92863	7.0
119.03497	4.3
121.02947	3.1
123.04507	1.9
133.02950	87.7
134.03630	3.6
135.04520	100.0
136.04866	2.9
137.02452	2.7
139.00374	4.0
140.01129	2.0
151.04002	1.5
152.01161	4.0
153.01938	7.5
154.02679	3.8
155.03506	9.7
161.02441	27.2
161.04544	2.0
165.05493	1.3
167.03465	8.2
169.44977	1.0
173.04527	12.4
177.01920	43.2
178.02463	1.8
179.03488	95.4
180.03853	3.9
191.05602	46.8
192.06020	1.4
193.04971	3.2
197.04498	1.4
221.10286	4.9
317.08740	11.2
335.07706	33.5
335.13461	2.1
336.08258	2.1
337.06573	1.1
351.07114	1.5
353.08725	40.6
354.09155	2.2
367.10434	5.1
395.09839	3.2
449.21658	1.9
515.14093	3.8
521.13031	5.9
521.20099	1.5
568.26392	1.7
569.27368	2.8
683.17834	33.9
684.18353	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74287	0.3
59.01378	2.0
61.30188	0.3
61.98839	0.4
65.90576	0.3
69.85728	0.7
71.01353	0.7
72.09180	0.3
80.09579	0.3
98.22552	0.6
101.02400	0.4
108.02176	0.5
109.02946	0.3
113.02404	0.3
121.02940	1.2
122.03735	19.9
123.04044	0.4
124.01630	0.9
127.74055	0.3
136.01663	3.3
136.05305	0.6
137.06122	0.4
139.03996	0.8
151.07610	0.7
166.05098	0.5
190.58549	0.3
191.05644	0.3
196.82565	0.3
226.06444	0.4
243.06726	0.4
258.08871	0.8
271.09988	0.3
273.11307	100.0
274.11642	4.8
346.74762	0.3
435.16571	20.0
436.16812	1.5
477.17654	10.2
477.23849	0.3
478.18161	0.6
509.63281	0.3
521.27209	0.4
576.45093	0.3
597.34949	0.5
697.24878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.85854	0.5
57.03444	1.4
58.00600	1.0
59.01378	100.0
60.01722	0.7
61.98810	1.3
62.92530	0.6
71.01380	53.6
71.43459	0.8
72.01761	0.5
72.99305	1.7
73.02946	3.2
83.01397	2.6
83.85570	0.6
85.02950	9.5
87.00881	2.3
89.02444	53.9
93.03465	0.7
95.01399	3.2
96.96047	0.7
99.00832	0.6
101.02441	27.7
107.05030	12.7
108.02205	0.5
113.02448	20.6
119.02646	1.3
119.03500	26.5
125.02475	0.8
131.03482	3.6
140.07547	0.5
143.03500	5.8
145.08714	0.9
149.04611	2.2
152.01204	0.9
153.47119	0.7
161.04567	6.2
167.03546	1.2
177.01923	0.8
179.05605	10.6
191.05653	1.9
225.05592	4.5
228.30322	0.6
239.07118	2.9
240.07816	1.2
255.10254	25.5
256.10565	0.7
270.01984	0.6
273.11319	9.0
403.41049	0.6
417.15707	2.4
435.16586	62.7
436.16873	5.0
451.92572	0.6
477.17572	6.8
617.52850	0.7
683.38507	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	683.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19781	0.5
57.03432	0.7
58.00587	0.6
59.01378	50.6
64.77996	0.4
67.30941	0.5
71.01380	29.4
72.01699	0.4
73.02941	0.7
83.01383	0.8
85.02951	4.5
87.00884	1.4
89.02441	41.4
90.02766	0.7
95.01387	1.7
101.02438	16.0
113.02451	13.7
119.03500	13.3
119.04330	1.0
131.03467	0.9
143.03517	2.6
149.04559	0.8
161.04538	4.5
179.05605	17.1
341.10867	100.0
342.11221	4.5
541.63184	0.6
668.03326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
58.00600	1.0
59.01377	47.8
62.12224	0.5
66.02782	0.4
68.15682	0.4
71.01377	28.8
72.99303	0.5
73.02940	1.3
83.01389	0.8
85.02949	3.8
87.00857	2.0
89.02441	39.4
95.01382	1.3
98.21789	0.8
101.02440	14.4
113.02443	12.2
119.03494	11.6
119.04315	0.7
125.02518	0.5
131.03496	1.0
143.03471	2.9
149.04539	1.3
156.66550	0.4
158.04617	0.8
161.04510	3.1
176.05617	0.6
179.05600	18.0
179.07173	1.0
213.59575	0.5
267.13086	0.4
323.58920	0.5
341.10861	100.0
342.11295	2.7
363.78555	0.4
432.69144	0.6
525.79492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18301	1.0
52.40540	1.0
54.00504	1.0
55.01872	2.8
57.03429	2.3
58.00589	1.6
59.01377	100.0
69.03466	2.7
69.39227	1.3
69.39546	4.8
71.01381	71.5
72.99316	1.3
73.02944	34.6
81.03436	2.0
83.01388	13.3
85.02946	17.2
87.00883	9.9
89.02441	61.1
93.03479	1.3
95.01395	4.7
96.96040	1.2
97.02946	18.8
99.00878	1.7
101.02441	80.7
107.99222	1.1
109.02907	1.3
113.02451	30.4
115.03992	4.0
116.92858	2.4
119.03493	23.2
121.02966	1.8
122.03731	1.5
123.04523	2.0
125.02443	3.4
131.03514	6.8
143.03517	16.9
149.04565	2.9
151.03941	1.1
159.03067	1.1
159.04518	2.3
160.05302	5.5
161.04553	67.0
162.04761	1.1
172.05307	2.7
173.06041	2.5
175.07635	2.9
179.05603	49.1
187.07584	1.3
189.05540	4.3
190.06363	4.7
191.05655	1.3
205.08710	4.9
221.06622	10.0
227.10680	1.9
257.11774	1.6
263.07712	16.9
266.05792	1.1
281.08252	1.2
293.08578	2.8
296.10437	2.8
311.12915	6.5
322.44165	1.2
329.13782	2.9
341.13986	9.9
380.34552	1.3
401.73242	1.1
503.19110	2.0
521.20349	10.7
522.20880	1.4
683.25513	75.5
684.25708	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	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.6
59.01376	13.2
60.56141	1.0
69.92670	3.2
71.01369	4.2
76.56985	1.1
79.05268	1.1
89.02444	4.4
97.06583	14.5
98.21880	1.3
101.02438	3.5
103.01483	5.1
113.02396	1.7
120.19149	1.1
123.08191	6.4
125.09721	95.5
126.10053	2.2
126.47102	1.1
143.10764	1.8
161.04524	1.5
169.08702	2.5
187.09747	75.9
188.10104	1.5
199.66011	0.9
204.55063	1.1
253.09343	2.4
272.06830	1.1
273.22000	1.2
277.21710	13.8
405.17523	5.2
423.18652	12.2
683.40045	100.0
684.40546	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	1.2
57.03435	6.0
59.01362	4.6
61.98805	3.0
63.17026	1.4
69.15800	8.9
70.46339	1.2
70.50540	1.2
71.01385	4.3
73.02924	1.4
84.10066	1.4
85.02948	2.0
87.00871	2.2
89.02412	2.4
93.96471	1.3
95.01360	1.8
95.05028	1.5
97.06579	15.6
101.02414	4.2
104.92192	1.3
123.08147	6.5
125.09726	78.0
151.06694	1.4
187.09744	28.6
248.64885	1.5
253.09320	2.6
253.64926	1.4
277.18680	2.6
277.21710	41.8
354.28522	1.5
405.17523	5.1
408.28885	1.4
423.18704	3.9
453.73605	1.6
579.54950	1.6
614.88623	1.7
683.40063	100.0
684.40649	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	684.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82343	1.3
59.01379	48.3
61.52473	1.3
69.29348	7.3
71.01381	26.9
73.02958	1.4
85.02931	6.7
89.02435	31.7
93.03484	2.2
101.02452	18.3
113.02446	16.4
119.03491	8.4
119.05045	3.8
131.03520	1.7
136.43324	1.4
143.03487	3.2
161.04524	3.7
163.04001	5.6
172.62054	1.4
179.05606	18.3
180.06641	12.4
323.09818	16.2
502.01755	1.3
503.16171	100.0
504.16437	5.0
578.01794	1.5
590.01837	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	684.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91092	1.4
59.01381	53.4
60.34130	1.0
69.13810	5.9
71.01382	22.5
72.99307	1.1
73.02945	2.5
78.15059	1.2
83.01366	1.9
85.02937	5.5
87.00876	1.4
88.98844	1.4
89.02442	18.6
93.03464	3.1
95.01384	2.2
96.95996	3.3
101.02444	12.3
106.06612	4.0
113.02426	9.2
119.03506	6.7
122.06096	3.5
134.06122	24.5
135.04500	2.0
152.07161	5.4
173.04585	3.1
179.03456	3.2
179.05521	1.6
180.04056	1.4
182.02332	1.1
191.05591	12.4
192.05922	1.1
206.25027	1.2
214.67441	1.2
225.10265	1.4
237.06708	1.3
237.10249	2.0
238.07297	2.0
239.08260	1.6
245.86418	1.2
249.06723	1.9
251.08275	3.1
253.09886	5.8
263.08206	1.9
264.08853	2.1
265.06183	5.1
265.09756	4.1
266.06891	13.9
278.07095	5.5
279.07816	1.7
280.08533	2.7
281.09332	57.9
282.09656	3.4
293.09344	35.7
293.60962	1.1
294.09872	3.1
313.11948	9.3
314.12393	2.5
325.12228	1.2
400.16656	2.9
428.16299	3.1
580.23004	2.6
608.22516	75.6
609.22913	8.8
640.25116	6.2
641.24084	2.2
652.21313	15.5
684.24115	100.0
685.24432	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	684.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
59.01376	53.8
64.21468	1.2
71.01380	21.7
73.02932	2.3
83.01373	2.8
85.02966	7.5
85.03442	1.1
87.00903	4.0
89.02438	20.3
93.03457	4.3
101.02441	15.1
106.06637	3.2
107.05060	2.6
110.02483	3.7
113.02455	9.5
116.05063	4.1
119.03507	6.9
121.02979	2.7
122.06151	4.9
123.03258	5.5
124.04032	1.7
131.03543	2.7
132.04552	2.3
133.02931	2.4
134.06119	54.1
135.04526	5.9
135.06505	1.6
136.04013	2.8
136.04910	2.4
136.19653	1.3
138.05585	10.7
152.07137	6.7
155.03445	1.9
160.04047	17.0
161.02489	2.6
164.03534	13.3
164.07126	3.5
165.01904	2.9
166.05064	1.8
172.04123	1.6
173.04527	2.1
177.01869	1.6
179.03526	4.7
180.04128	2.5
190.05112	3.7
191.05612	38.0
192.06708	56.0
195.06677	4.9
204.06705	4.1
208.10350	1.4
225.07774	2.6
239.08351	1.9
251.08368	2.6
253.09801	2.8
263.08356	1.8
265.06058	3.8
265.09781	2.6
266.06961	7.8
276.26852	1.4
277.06427	1.3
278.06992	3.3
279.07678	1.2
280.08658	1.7
281.09296	49.1
282.09723	3.6
293.09290	24.7
302.99420	1.3
307.10858	4.7
313.12094	5.2
314.12448	4.6
332.65491	1.4
337.11801	2.8
339.13449	16.9
339.52615	1.6
353.08875	8.6
354.09033	9.0
409.15280	1.7
428.16263	2.3
487.17294	7.7
488.84778	1.7
501.18820	3.2
517.18323	2.6
519.19830	53.8
520.20172	6.3
564.24664	1.4
580.22974	3.3
608.22491	100.0
609.22821	10.8
640.24707	7.0
652.21466	23.4
653.21362	2.3
684.24292	65.7
685.24347	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	685.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
71.01378	14.7
75.34885	0.4
78.01110	0.7
85.02959	0.8
89.00317	1.2
89.02407	0.6
91.01876	0.5
93.03445	0.7
96.96021	3.1
101.02437	0.9
106.00608	2.1
113.02422	1.1
115.00372	7.4
121.02950	27.6
122.03326	1.0
123.00884	1.8
133.01448	0.7
133.03000	0.7
135.04491	1.4
136.98712	0.5
138.03224	3.1
150.03194	1.3
153.05569	21.4
154.05916	1.2
165.05548	2.6
166.99861	0.8
177.01903	0.7
179.03465	1.1
182.02188	4.1
191.05556	2.2
197.04543	100.0
198.04868	4.6
201.01707	0.6
234.95300	0.4
235.11966	0.5
268.49490	0.4
277.12979	0.8
297.55304	0.5
313.05658	6.6
337.09216	0.9
361.12878	0.5
371.09659	0.7
409.15024	3.0
543.95135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
71.01378	14.7
75.34885	0.4
78.01110	0.7
85.02959	0.8
89.00317	1.2
89.02407	0.6
91.01876	0.5
93.03445	0.7
96.96021	3.1
101.02437	0.9
106.00608	2.1
113.02422	1.1
115.00372	7.4
121.02950	27.6
122.03326	1.0
123.00884	1.8
133.01448	0.7
133.03000	0.7
135.04491	1.4
136.98712	0.5
138.03224	3.1
150.03194	1.3
153.05569	21.4
154.05916	1.2
165.05548	2.6
166.99861	0.8
177.01903	0.7
179.03465	1.1
182.02188	4.1
191.05556	2.2
197.04543	100.0
198.04868	4.6
201.01707	0.6
234.95300	0.4
235.11966	0.5
268.49490	0.4
277.12979	0.8
297.55304	0.5
313.05658	6.6
337.09216	0.9
361.12878	0.5
371.09659	0.7
409.15024	3.0
543.95135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
58.00588	1.0
59.01377	32.6
61.98542	0.9
61.98829	10.6
67.43312	0.7
71.01376	13.9
71.43539	0.8
73.02940	1.9
83.01372	1.9
83.50452	0.8
85.02952	3.8
85.58976	1.0
87.00845	1.5
89.02443	10.6
91.08709	0.8
99.00878	0.9
101.02437	9.5
106.06609	2.2
113.02438	5.0
113.86772	0.9
117.09486	0.9
119.03514	4.2
122.06097	2.4
134.06119	18.6
135.04501	1.8
139.03993	0.9
152.07188	3.6
179.03441	1.0
191.05562	2.1
191.12190	0.9
210.09200	1.2
223.06256	4.1
227.03680	1.0
236.07300	1.2
238.08727	7.0
250.08665	1.0
254.08197	1.1
264.06686	1.1
267.05307	1.7
270.11359	10.7
282.07761	7.0
282.10959	1.3
283.13287	1.1
294.07669	2.0
301.03595	0.9
314.09985	5.0
326.10229	1.7
341.12366	1.0
357.15955	0.9
370.12738	1.1
385.15442	2.2
417.18207	5.3
430.22925	1.0
461.16861	1.1
493.71439	0.9
595.14557	0.9
597.24451	6.1
609.21851	1.6
641.23389	8.8
685.22418	100.0
686.22729	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	685.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36481	1.0
51.29514	0.8
53.20079	0.8
55.01878	1.5
57.03430	1.0
58.00571	0.8
59.01380	46.0
61.98828	2.5
69.03423	1.1
71.01014	1.6
71.01380	24.8
72.99328	1.1
73.02930	2.8
74.90290	0.9
83.01365	1.6
85.02943	7.3
87.00877	1.3
89.02442	16.1
90.20954	0.9
93.03491	2.1
93.83922	0.9
95.01389	2.3
96.96053	1.1
97.17475	0.9
101.02447	13.4
106.06615	3.2
109.02914	1.3
113.02445	10.5
119.03510	6.5
122.06102	3.1
134.03745	2.7
134.06122	36.5
135.04517	3.4
135.06473	1.4
135.36797	0.9
135.58687	0.9
137.02400	1.4
139.04005	2.1
149.06064	1.7
151.03993	1.8
152.07162	5.1
173.04581	1.8
191.05664	5.7
194.09874	1.3
195.06819	1.0
197.04507	1.3
210.09219	3.1
223.06339	8.1
238.08740	8.7
250.08690	1.8
254.08298	1.6
267.05243	2.7
270.11356	18.0
271.11795	1.1
281.09644	1.2
282.07635	7.6
294.07590	3.1
314.09875	4.7
326.10278	1.5
327.11560	1.5
337.15970	1.1
341.12723	1.0
341.16925	0.9
357.15894	1.4
370.13138	1.2
385.15405	3.9
389.18881	1.2
410.96674	0.9
417.18213	10.1
439.82651	1.0
461.17059	2.6
502.17816	0.9
523.28253	1.0
537.22327	1.0
565.21667	2.2
581.22418	1.2
597.24524	44.1
598.24622	3.1
609.21185	11.8
613.24188	1.3
641.23511	100.0
642.23889	6.3
684.38739	1.5
685.22455	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
61.98809	0.3
71.01376	1.7
73.02940	0.4
81.55814	0.1
85.02934	0.9
89.02451	0.3
93.03426	0.2
97.02970	0.2
101.02429	1.0
103.35676	0.2
109.03817	0.2
113.02422	1.0
116.92873	0.5
121.02952	4.6
133.41779	0.2
134.03738	0.2
135.04533	0.3
136.05284	0.2
137.06081	0.2
145.08696	0.4
149.06067	1.5
150.06856	7.9
151.04019	0.2
151.07260	0.3
153.05493	0.2
161.04559	2.8
164.04695	0.2
165.05563	0.3
165.09232	0.4
165.76071	0.2
179.05515	0.2
191.05605	0.5
210.10500	2.2
240.07849	0.2
253.08751	0.4
254.09430	0.7
255.10280	0.3
255.67419	0.2
269.11914	0.4
271.09796	0.8
285.11224	0.2
286.12085	5.6
287.12378	0.3
301.14429	100.0
302.14780	5.1
325.14499	0.2
430.34518	0.2
463.19708	17.2
464.19971	1.1
632.19147	0.2
686.56598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95338	0.5
55.01878	1.0
55.38678	0.6
57.03426	1.2
59.01079	0.7
59.01375	13.3
61.98825	3.8
69.03453	4.6
71.01376	5.8
71.04995	2.3
73.02924	1.7
73.06147	0.5
80.02669	0.7
81.03442	2.0
83.01376	0.7
83.05011	2.3
84.02168	1.0
85.02927	2.0
87.00868	1.3
89.02444	2.5
93.03425	1.0
95.01376	0.6
95.05004	0.8
96.95996	1.0
97.02955	3.4
97.06581	1.6
98.22636	0.9
99.00880	0.8
101.02445	3.7
107.04977	0.9
108.02123	0.6
109.06586	17.6
110.03700	1.4
111.04510	0.7
113.02431	2.7
121.06594	1.3
121.36143	0.5
123.04567	0.7
123.08131	1.6
125.09695	3.4
135.08150	1.7
138.58501	0.5
139.03984	0.8
151.11272	1.9
153.12831	1.2
155.65575	0.5
161.04553	1.5
161.09721	5.0
162.95547	0.5
163.11282	7.9
165.09161	0.6
172.10583	0.5
175.11295	0.5
179.09343	0.5
179.10785	8.2
181.12296	2.8
185.11775	0.9
191.05634	1.0
197.11815	58.7
198.12134	1.7
205.14041	0.6
207.10254	25.2
208.10530	1.2
209.11816	2.5
216.42433	0.5
219.10294	0.5
223.09734	1.0
223.13377	0.6
225.11282	11.2
235.13422	0.7
241.10770	3.7
253.09251	2.7
320.99829	0.6
428.20233	0.6
459.18365	0.7
461.20456	1.0
477.19577	2.1
623.29675	0.9
625.36176	0.8
641.33044	1.9
667.29303	1.0
685.30664	100.0
686.31042	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	685.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.1
61.98814	0.6
69.62511	1.4
69.62865	0.7
71.01372	0.7
73.02944	0.5
85.02921	0.6
90.31884	0.5
101.02436	0.9
109.85713	0.4
113.01466	0.4
113.02420	0.6
121.02939	0.8
158.79778	0.4
163.03874	0.4
191.05663	0.5
193.05150	0.5
208.23364	0.4
267.84949	0.4
319.22821	3.8
403.24564	0.5
463.10410	0.7
463.27008	21.9
464.27106	0.9
481.28064	47.5
482.28546	2.9
523.29102	100.0
524.29468	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	685.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34364	3.6
50.50278	3.5
59.01376	62.0
61.98819	18.5
62.08324	4.3
68.28279	4.0
70.12596	3.9
71.01378	12.7
73.02951	5.5
74.81573	4.3
80.31277	3.9
80.80766	3.4
81.03411	5.5
82.23276	4.0
83.04990	9.7
85.02938	11.0
87.00870	4.2
89.02413	5.5
93.03455	13.5
97.06610	3.8
101.02449	12.2
113.02431	6.0
114.04250	3.9
116.92845	6.6
125.02434	11.6
126.03251	28.2
134.89439	4.3
135.04514	5.6
137.02420	5.9
139.04004	7.5
143.54724	3.6
158.02197	6.7
163.11223	4.9
171.10263	10.8
173.04507	6.1
177.01933	4.7
179.63187	3.8
191.05533	18.9
197.11830	70.2
207.10326	6.1
209.11813	80.4
212.54692	4.1
215.05556	6.3
221.11765	16.6
223.13431	4.2
227.12840	12.2
237.95842	4.2
239.12895	13.9
253.09219	8.3
316.16748	3.9
349.18588	5.5
351.07156	11.2
352.07413	8.5
391.47864	4.7
392.49319	5.4
419.28012	31.4
437.29010	4.6
463.34555	5.3
581.33289	100.0
582.33691	11.4
599.34314	40.1
600.34833	7.0
603.27686	4.5
625.35797	11.6
641.35303	76.4
642.35706	7.6
685.38483	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	686.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	45.2
70.14315	3.0
76.52848	1.0
105.67778	1.1
113.02473	0.9
126.63899	1.0
146.06075	1.0
151.00314	3.0
161.02426	1.1
172.66225	1.1
191.05643	1.8
227.03471	3.5
235.68488	1.0
242.02147	2.3
243.02965	14.0
255.03036	10.6
257.04425	3.0
270.01678	3.3
271.02472	26.4
272.03067	3.7
285.04001	4.6
286.04645	2.0
287.05780	1.4
299.01910	27.3
300.02719	24.4
314.04294	32.6
315.05069	63.9
316.05460	3.3
388.71304	1.3
388.76172	1.1
401.60144	1.2
407.68668	1.3
623.16095	100.0
624.16479	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	686.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	34.5
61.48874	1.0
64.84782	0.9
69.23383	0.9
69.70761	2.1
69.71120	2.3
70.90464	0.9
71.01383	15.7
71.29868	0.9
73.02903	1.1
73.51432	1.0
83.01387	1.6
85.02932	2.9
88.20805	1.1
89.02439	14.0
96.95973	1.8
101.02441	9.7
106.06638	2.8
113.02440	7.1
116.05080	1.2
116.92825	1.4
118.81370	1.1
118.92670	1.0
119.03515	6.5
122.06097	4.5
132.04558	6.6
134.06122	22.1
146.18912	1.0
149.06003	1.3
150.05573	3.1
152.07161	4.2
158.02432	2.8
160.04007	3.9
161.04507	1.3
162.05605	1.1
172.03969	1.0
174.05525	1.2
176.03622	2.2
190.05081	13.1
191.05553	2.3
192.78043	1.0
215.11815	3.0
223.08708	2.5
224.09468	2.5
239.11845	14.2
240.10287	2.9
241.09663	1.7
251.11836	2.2
253.06158	3.4
255.07668	1.8
255.11295	1.2
267.07669	3.5
267.10782	1.0
268.08514	4.5
274.41574	1.1
281.09094	1.4
283.10849	46.6
284.11179	1.2
288.57858	1.1
291.07626	3.5
295.10916	14.3
296.11362	1.6
302.06461	1.1
305.09229	2.0
306.09961	2.1
309.08826	1.8
314.12393	2.4
323.10159	1.6
324.10699	1.4
327.09686	1.4
337.12033	1.4
338.12491	1.3
339.09595	1.3
386.18491	1.2
402.18301	2.8
430.17731	4.8
456.15643	1.6
517.17841	1.4
582.24609	2.2
610.24005	14.6
626.23309	1.4
642.26813	1.5
654.22968	85.9
655.23187	9.0
686.25549	100.0
687.25909	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	686.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87528	0.6
55.01838	0.8
57.03386	0.7
58.71783	0.6
59.01321	30.1
61.98793	0.8
66.48631	0.7
69.03407	1.5
69.04036	3.8
69.77139	0.6
70.86595	0.6
71.01376	14.3
72.99238	0.9
83.01321	1.5
85.02956	4.1
87.00815	1.4
89.02438	10.8
95.01357	1.1
99.00813	0.7
101.02429	8.8
106.06549	2.5
107.03719	0.7
113.02444	9.4
114.02700	0.9
116.92842	0.7
119.03510	4.5
122.06123	4.6
130.02907	0.7
131.03647	1.1
132.04556	4.6
134.06123	20.1
137.02333	1.2
144.04533	0.7
146.06015	0.8
147.04492	0.9
148.07542	0.6
150.05513	2.7
152.07140	3.9
158.02386	1.7
160.03967	2.7
161.04517	0.7
162.05571	1.4
165.01895	3.0
165.05551	0.7
166.02229	1.5
172.03923	0.9
176.07109	1.0
179.03397	1.5
179.05540	1.0
180.04155	3.0
183.06528	1.8
184.07011	0.6
186.05807	0.6
190.05119	7.2
191.05554	2.6
192.06580	1.2
195.06618	4.7
196.06837	2.1
200.64069	0.6
209.11711	2.5
210.05136	0.8
210.12073	1.5
211.12277	1.9
215.11778	1.9
222.66095	0.6
223.08617	2.0
224.09509	3.9
225.07771	4.9
226.07948	3.3
227.08241	0.8
236.09312	0.7
239.11894	16.8
240.10384	1.4
241.09756	2.7
251.11841	2.9
253.06140	4.1
253.09792	1.1
255.07587	1.5
255.11264	1.6
263.08151	1.9
265.09723	1.7
267.07700	3.5
267.11459	1.0
268.08490	3.1
277.09799	1.4
278.10342	0.7
279.07703	1.2
279.11142	0.9
280.08585	3.1
280.11270	0.9
281.09229	1.4
282.09854	0.9
283.10867	41.1
284.11047	1.5
291.07742	3.8
295.10867	10.4
305.09161	2.5
306.10043	3.0
307.10773	1.7
308.11526	0.9
309.08679	0.9
314.12317	2.2
322.24149	0.6
323.10245	1.9
325.11847	0.9
337.11877	1.1
358.19232	0.9
361.12683	1.8
362.13342	3.3
379.53543	0.6
386.18561	1.9
397.13297	1.0
398.13898	1.3
402.18094	2.0
409.15030	4.2
410.15320	6.9
430.17712	3.5
564.62604	0.7
582.24286	1.6
608.22339	0.7
610.24084	13.8
611.24469	1.4
654.22992	100.0
655.23346	7.6
676.01288	0.6
686.25604	45.3
687.26044	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	687.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85348	0.2
59.01366	0.4
60.39145	0.2
61.98827	9.8
71.01362	1.3
71.43329	0.3
72.51924	0.2
73.02945	0.4
82.16978	0.2
85.02945	0.7
92.98046	0.3
95.01405	0.3
101.02469	0.6
108.02168	0.8
109.02970	0.7
113.02443	0.8
121.02973	0.3
131.03749	2.2
132.04526	0.6
136.17223	0.2
144.04550	10.0
145.05345	0.7
146.06113	100.0
147.06453	2.7
150.03210	0.6
152.01164	1.0
153.01907	0.6
153.05597	0.5
158.06136	0.5
159.06883	0.5
160.01685	0.4
160.07632	0.5
161.04559	0.3
162.05600	7.5
165.05585	0.7
170.06122	0.7
172.04025	10.4
175.04010	0.3
186.05608	0.9
188.03499	0.4
188.07147	1.6
190.05087	28.4
191.05482	1.0
200.07242	0.5
204.06741	0.3
212.07188	0.5
214.05127	1.8
218.08107	0.3
228.06660	0.3
231.05409	0.8
232.06134	4.5
246.07689	0.7
256.06326	0.3
273.10529	0.2
274.07208	7.8
301.09747	0.8
308.11322	0.5
334.09308	8.6
352.10367	0.7
394.11682	0.3
435.98489	0.3
463.14972	0.3
481.16110	4.0
482.16238	0.3
496.14557	2.2
498.06421	0.3
499.20313	0.3
507.13980	0.4
525.15118	34.0
526.15308	2.5
565.44110	0.3
636.81311	0.3
687.20337	26.2
688.20410	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	687.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88459	0.9
57.03431	1.2
59.01142	0.9
59.01382	8.7
66.44392	0.9
67.01859	1.0
69.03467	1.1
71.01376	8.3
71.43060	0.8
72.86693	0.9
72.99292	2.4
73.02921	2.2
75.00866	7.0
76.20130	0.8
77.06773	0.9
80.40109	1.0
83.04990	1.2
85.02943	8.8
87.00871	3.7
89.02444	2.0
93.03449	11.4
95.01375	3.0
96.96011	2.2
99.00861	5.2
101.02430	0.9
101.06077	57.6
103.00330	1.9
107.05025	1.0
109.02916	2.3
111.04491	2.8
111.93413	0.9
113.02433	13.9
115.00376	1.8
117.01954	1.4
121.02961	10.3
123.04494	1.5
125.02412	3.0
127.03980	1.1
129.01968	1.6
133.02953	9.3
134.03705	2.7
135.04523	70.5
136.04898	2.2
137.02437	4.3
148.89111	1.2
152.21423	0.8
161.02432	18.2
162.02852	1.3
173.04564	3.9
175.02417	1.0
177.01923	1.5
179.03488	61.6
179.48529	1.0
180.03812	1.8
191.05629	10.1
215.05620	2.3
218.12007	1.1
231.05159	1.7
237.04062	1.3
249.06152	10.4
259.06131	1.6
269.04550	1.5
294.06857	1.0
333.11868	1.7
335.07687	67.7
336.07919	3.1
351.07758	3.7
351.12924	100.0
352.07465	1.3
352.13306	5.6
367.09937	1.8
368.10840	1.3
449.10510	3.0
474.31528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98821	0.9
65.00315	1.7
67.01879	2.7
68.99835	0.6
81.03459	2.0
91.01888	7.9
93.03470	1.7
95.01408	1.4
107.01394	3.5
108.02169	5.1
111.00888	1.9
121.02959	1.7
122.03732	5.1
123.00887	1.4
123.04517	23.3
125.02451	2.4
136.01628	1.2
149.02435	6.3
150.03220	35.9
152.01161	3.0
164.04797	1.4
165.05563	38.3
166.02710	4.3
166.05917	1.1
167.03493	100.0
168.03818	2.3
180.04257	2.6
191.05592	1.8
195.06613	25.5
209.04495	1.0
223.06270	0.9
247.99646	0.7
285.11453	0.8
289.07419	0.7
311.07547	0.7
389.69980	0.7
477.15588	5.1
481.28101	5.3
482.28415	6.3
525.17627	28.5
526.17914	2.8
629.33099	0.8
687.22375	3.3
687.38226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42701	0.6
55.57626	0.6
57.03437	0.7
59.01371	7.9
61.98818	1.1
69.03441	1.1
71.01387	3.5
71.05041	0.8
73.02949	1.0
76.72002	0.6
82.95408	1.3
83.01381	0.9
83.05029	1.7
85.02956	1.1
87.00896	0.8
89.02458	1.5
93.03460	1.1
95.05008	1.2
97.02979	1.5
97.06608	0.7
98.22530	0.8
99.00885	2.7
101.02435	2.0
109.06591	3.6
113.02477	1.6
119.03506	0.9
120.04555	4.0
123.08135	0.7
125.02482	0.8
125.09702	1.5
132.04576	2.2
138.05612	1.1
139.03978	3.2
150.05516	0.7
161.09801	0.7
163.11290	3.2
168.06708	1.9
171.10245	4.2
176.03514	1.0
179.10742	1.0
181.12273	3.3
190.05122	4.3
191.05624	1.2
197.11810	11.2
197.13477	1.0
198.09270	2.6
199.13408	2.2
205.08713	0.7
207.10271	11.1
209.11848	11.4
225.11316	8.5
226.07463	2.2
227.12868	2.4
227.14862	0.8
228.09045	2.3
239.11877	10.7
240.12115	0.8
241.09813	67.8
242.10205	2.0
243.12494	3.5
253.09369	1.8
255.11475	1.3
256.12155	44.2
257.12598	0.9
297.60953	0.7
300.11160	7.8
303.25418	0.7
307.05591	0.6
312.11002	1.1
313.11700	0.8
315.13498	100.0
316.13843	4.9
353.11200	0.8
357.10648	0.7
371.12476	25.0
371.17178	1.5
372.12973	3.3
461.20752	1.0
479.21201	1.9
597.28870	0.8
611.25378	2.9
615.30634	1.2
644.36090	0.8
651.30499	1.1
669.31616	1.5
687.32318	35.2
688.32538	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03440	0.6
59.01377	11.7
61.98809	1.9
69.03447	1.2
71.01389	7.2
71.62580	0.6
73.02950	1.8
75.79748	0.6
80.02679	1.2
81.03449	1.9
82.95423	0.9
83.01375	1.3
83.05024	6.0
84.02138	1.3
85.02931	2.3
87.00870	1.4
89.02452	4.1
90.14388	0.6
93.03429	1.4
95.05011	1.8
97.02969	0.6
97.06571	1.5
101.02457	5.8
107.04970	0.8
109.02930	0.8
109.06557	1.7
111.04507	2.0
111.38241	0.7
113.02456	3.2
119.03472	1.2
122.03758	0.8
125.06026	0.7
125.09731	0.7
130.87813	0.6
135.04559	0.8
135.08110	1.2
139.03984	2.5
151.11273	2.3
153.09186	1.0
153.12810	1.7
161.04535	2.7
161.09709	1.2
163.11302	4.1
165.12843	3.0
167.10803	0.9
169.12340	26.6
171.10295	7.6
176.08432	1.1
177.09154	2.2
178.33101	0.6
179.05646	1.3
179.10718	1.9
191.05618	3.0
197.11827	47.5
198.12071	1.2
205.08710	1.2
207.10281	1.2
209.11818	66.7
210.12111	2.1
213.11240	1.1
221.08232	1.8
223.09804	5.1
225.11317	1.9
227.12914	7.4
235.08208	1.7
239.06024	0.7
241.10818	1.1
253.09277	5.7
253.31229	0.6
433.21310	0.7
447.59982	0.6
459.18561	1.1
470.09015	0.7
477.19000	0.7
501.30713	0.8
525.30609	9.3
550.20398	0.8
637.48895	0.7
643.37268	1.5
651.30286	1.2
669.30988	1.2
687.32227	100.0
688.32666	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	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
57.03444	0.8
59.01378	5.9
61.98817	0.5
69.03460	3.7
69.05353	0.3
69.77204	0.3
71.01390	5.1
71.05040	1.5
73.02946	1.3
74.06573	0.3
80.02679	1.3
81.03459	1.7
83.01376	1.0
83.05026	5.1
84.02156	0.9
85.02949	1.0
87.00874	0.7
89.02445	2.4
93.03381	0.4
95.05037	0.8
96.96001	0.3
97.02941	1.0
97.06605	0.8
98.22597	0.9
99.21263	0.4
101.02439	3.6
109.06599	0.7
110.03706	0.4
113.02430	1.8
119.03533	0.6
123.08154	1.1
125.06111	0.5
125.09740	2.5
135.08160	0.7
149.09731	0.5
151.11305	2.7
153.12822	0.8
161.04568	1.3
161.09717	3.7
163.11301	4.0
165.12840	2.6
171.10240	0.9
179.05644	0.5
179.10786	5.8
181.12306	0.7
191.05615	0.8
191.10799	0.7
197.11827	39.6
197.61720	0.3
198.12172	1.1
199.13304	0.4
207.10226	1.4
209.11829	60.3
210.12158	1.8
223.09749	1.2
225.11380	1.5
227.12926	5.0
235.08104	0.4
241.10779	2.6
253.09200	2.8
336.28333	0.3
406.49454	0.3
407.24310	0.4
459.18613	0.6
477.19763	1.6
525.26752	0.4
635.45715	0.4
669.30957	0.8
687.32275	100.0
688.32672	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	687.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12240	1.9
58.02949	3.2
59.01378	2.8
63.08392	1.6
70.02972	4.4
70.65029	2.0
74.02467	53.5
91.01876	7.1
96.00909	12.6
96.95995	2.2
98.02456	5.6
99.05650	17.8
107.01367	3.1
108.02154	3.5
109.01715	2.0
110.02485	7.6
111.00871	15.2
115.08791	2.6
122.03717	5.7
123.04526	17.1
124.07462	1.9
125.02382	3.9
125.07183	2.9
129.10303	4.2
130.08723	3.6
138.09299	3.1
139.08731	2.5
140.07152	7.2
141.06693	16.5
143.11905	15.1
147.05977	5.3
149.02422	3.8
150.03214	25.0
152.01105	2.4
165.05544	33.8
165.10312	11.1
166.02643	4.1
166.08665	11.2
167.03484	72.9
167.04895	3.5
169.09828	3.3
171.91554	1.9
179.11739	2.6
180.10283	7.7
181.13434	2.2
183.11395	10.4
183.14983	3.2
187.10872	12.9
189.07010	21.4
191.05641	3.3
193.09846	3.4
193.13487	3.2
195.06581	19.0
209.09320	12.6
211.14510	4.1
228.17169	3.5
240.13484	8.8
242.18799	10.6
246.71768	2.0
263.21002	1.9
286.17679	3.4
331.74823	1.9
339.13919	2.0
368.88516	1.7
435.26166	8.8
479.25098	100.0
480.25131	4.0
497.26315	8.6
525.17725	21.0
525.30420	3.0
526.17651	2.9
669.32788	68.9
670.33679	3.3
687.23694	3.3
687.33826	73.8
688.34137	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	688.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.3
61.98820	2.6
71.01380	0.8
74.68916	0.6
111.24683	0.5
129.40973	0.6
131.03786	2.4
144.04538	6.9
146.06113	100.0
147.06480	2.8
187.11281	1.7
190.05081	21.1
191.05585	1.8
205.12387	0.9
298.64557	0.6
308.11328	0.7
332.21338	0.6
339.09338	0.6
344.85153	0.6
349.16309	1.1
352.10336	14.1
353.10721	1.0
453.00128	0.6
540.22449	10.8
584.21588	3.6
584.29541	0.8
602.22614	0.9
644.23431	5.5
645.24164	0.8
706.92090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44078	0.5
55.84479	0.6
61.98815	1.2
69.14517	2.5
71.01382	3.5
91.16553	0.5
95.62411	0.5
96.00824	0.5
108.02188	0.7
109.02916	0.7
122.48740	0.5
123.04447	0.5
125.02435	1.0
128.90363	0.5
146.06082	0.6
146.08234	0.5
154.27419	0.5
167.03401	0.8
173.02431	0.6
174.03215	0.5
187.04039	0.5
191.05542	1.4
200.04755	0.7
209.06131	0.6
215.07066	1.4
225.05569	1.6
226.06445	0.8
230.39973	0.6
239.03352	0.8
239.07063	0.5
240.04314	1.0
241.05067	0.8
251.07118	0.7
253.05034	1.2
254.05818	1.9
255.06601	1.1
257.08234	2.7
265.05069	2.2
267.06522	1.2
268.03720	1.5
269.04681	0.7
269.08200	4.2
271.09726	0.7
277.04984	0.8
278.08261	1.4
279.09872	0.7
280.07202	1.2
280.10068	0.6
281.04477	0.9
281.07648	0.7
282.05331	2.3
283.06076	8.8
284.06699	0.7
289.08667	0.6
290.06055	1.3
293.04639	2.2
293.08084	0.8
295.06015	3.3
297.07599	1.1
305.08090	1.1
306.05405	1.3
306.11487	6.6
307.06171	1.1
307.12201	1.0
308.06720	0.8
309.07751	0.7
316.07458	1.0
319.05939	0.6
321.07693	3.4
322.08002	0.6
322.14319	3.3
323.12775	1.0
331.09549	0.7
332.09286	2.0
334.08258	2.9
335.08960	0.9
337.10837	2.0
338.14063	3.4
348.12268	2.7
349.10580	3.6
350.10455	1.5
351.10962	3.1
366.13431	30.7
367.13663	1.7
375.08331	0.6
395.10284	0.9
410.12436	100.0
411.12793	8.3
561.19269	1.3
688.25745	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	688.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.9
62.22691	0.6
71.01376	0.6
85.02945	5.1
85.75460	0.5
87.00885	1.6
93.03451	4.9
105.21174	0.5
107.05059	0.6
109.02943	0.8
111.04529	1.5
116.92872	0.5
121.02972	0.5
123.04560	0.5
127.04000	1.6
129.13295	0.5
133.02953	5.6
134.03757	1.0
135.04530	3.1
147.56467	0.6
148.16415	0.5
150.03311	0.5
155.03435	0.8
161.02441	1.4
163.04004	0.6
168.39453	0.5
173.04527	2.6
177.01930	2.4
179.03525	2.1
191.05603	100.0
192.05914	1.5
197.04532	1.2
201.01631	0.6
215.05559	3.3
252.86899	0.5
276.63486	0.5
351.07114	6.1
353.08740	18.4
354.09195	0.6
375.06973	2.7
642.23132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16439	0.5
59.01373	3.3
65.00339	0.6
65.10602	0.5
69.26019	0.5
71.01377	12.4
73.02967	0.6
74.33980	0.6
76.30195	0.5
85.02935	1.4
87.00795	0.5
89.02455	0.7
91.01890	5.7
93.03465	1.1
96.96019	0.6
97.64430	0.6
98.22606	1.5
101.02443	1.0
108.02161	4.3
109.02917	0.8
113.02444	1.1
115.00378	8.1
121.02953	0.8
123.04520	22.6
135.04543	0.7
152.01160	4.9
153.05634	0.6
163.04050	1.1
167.03491	100.0
168.03824	2.0
173.04488	0.9
191.05630	5.5
197.04593	2.3
237.09854	2.6
280.20944	0.6
283.04562	10.6
292.06165	1.9
318.04086	0.7
336.05045	1.0
421.58633	0.7
435.69965	0.6
587.85431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.8
61.89706	1.0
61.98817	6.3
70.88601	2.6
71.01380	56.0
72.90378	1.0
72.99327	1.2
73.02940	2.3
81.03480	1.6
83.05022	4.5
84.02166	2.1
85.02946	3.5
87.00878	1.8
89.02443	3.3
95.01421	1.3
95.05054	2.3
95.17184	1.1
97.02943	2.3
97.06587	1.0
99.00889	1.8
101.02448	4.5
109.06599	6.6
113.02456	3.3
119.03508	1.1
123.86547	1.1
125.09714	2.2
127.11322	1.9
135.08224	1.7
161.04457	1.9
161.09659	1.4
163.11281	9.6
165.12830	2.4
169.12352	1.4
171.10257	30.2
171.11659	2.3
181.12315	4.8
181.56186	1.2
185.11737	2.9
197.11829	2.1
199.13457	1.9
201.11336	13.3
207.10254	25.3
209.11827	100.0
210.12238	4.4
215.12932	1.3
225.11296	30.0
226.11664	2.1
227.12889	9.7
235.08266	2.8
243.12297	2.3
251.12779	1.8
252.99506	1.2
253.09261	9.3
399.21835	1.4
417.22604	2.1
461.20242	4.8
600.01483	1.5
653.31714	2.6
671.32721	2.3
689.33923	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	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.2
61.87876	1.0
61.98822	2.5
69.03463	1.3
71.01382	11.9
71.43482	0.9
73.02937	3.4
80.02670	1.0
81.03465	2.1
83.01367	1.9
83.05005	5.5
84.02126	1.0
85.02940	3.4
87.00896	3.2
89.02448	6.2
89.18252	0.9
93.03447	4.5
95.01357	1.1
95.05023	2.4
96.95984	2.2
97.02921	1.5
99.00883	2.0
99.04515	1.8
101.02449	6.8
109.02977	1.5
109.06598	4.4
111.00816	0.9
111.04525	1.9
113.02474	4.2
115.04063	1.0
115.92032	1.3
116.92850	1.5
119.03503	2.2
123.08185	1.2
125.02426	5.2
125.09694	1.7
127.11250	1.4
135.04498	1.8
135.08122	1.5
137.02472	1.0
139.04027	6.4
151.11256	1.0
161.04506	2.2
161.09663	1.6
163.11298	8.0
165.12819	2.0
169.12355	1.6
171.10260	62.9
172.10580	2.6
173.04573	4.3
178.02762	1.2
179.10760	1.8
181.12325	3.0
189.09192	2.1
191.05617	12.2
191.10732	1.4
192.05971	1.6
197.11809	9.8
198.12112	2.2
199.09758	1.7
199.13449	4.5
201.11345	6.6
207.10266	14.9
208.10670	0.9
209.11819	100.0
210.12102	6.3
225.11317	28.8
226.11630	2.3
227.12904	15.1
228.13242	1.3
235.08151	4.3
243.12311	5.9
253.09242	11.1
407.19058	3.5
443.19003	2.1
445.20465	3.3
447.26889	1.0
461.20303	5.7
635.30676	2.0
645.35364	7.1
653.31903	2.5
671.32550	4.8
689.33307	23.7
690.34033	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	689.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04139	13.1
59.00434	15.8
59.01376	29.7
70.61826	16.3
71.01362	18.5
78.95892	29.3
98.21779	28.9
113.02412	16.5
114.40823	13.7
125.02407	16.0
161.04646	16.3
202.90143	15.1
255.23270	31.9
257.99152	17.6
282.18967	15.0
308.92096	14.9
397.13498	100.0
415.14642	36.9
689.34760	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.0
60.99288	0.9
67.01884	2.5
68.08428	0.3
69.03448	0.7
70.59052	0.5
71.01388	1.4
73.73055	0.3
81.03449	0.7
83.05000	0.6
85.02940	5.0
87.00869	4.8
93.03455	19.1
94.52332	0.3
96.95959	0.3
99.00862	0.4
99.04523	0.3
109.62673	0.3
111.04507	3.1
113.02422	0.3
115.03959	0.3
116.34605	0.3
117.03466	0.5
119.04239	0.4
119.05025	5.7
127.04000	1.3
129.01942	0.5
145.02954	1.5
146.06145	2.1
155.03503	0.6
163.04015	5.9
173.04547	5.2
190.05125	0.5
191.05603	100.0
192.05971	3.0
242.95866	0.3
246.25661	0.3
251.11462	0.6
271.58350	0.3
337.09271	37.5
338.09586	2.6
352.10287	1.1
392.03726	0.3
471.32614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22179	0.2
57.03431	0.3
59.01374	1.0
59.22747	0.2
60.99286	1.0
67.01884	3.0
69.03445	0.7
69.21422	0.3
71.01371	1.1
72.60879	0.2
81.03438	0.7
83.05003	0.5
85.02943	4.2
86.50895	0.2
87.00868	4.7
93.03452	19.1
94.03783	0.5
96.96009	3.8
99.00870	0.4
99.04511	0.4
109.02944	0.4
111.04514	2.6
113.02431	0.5
115.03994	0.2
117.03471	0.2
119.05018	5.2
120.01228	1.6
125.02448	0.5
127.04007	1.1
127.05083	0.3
129.01941	0.6
145.02940	1.1
146.06107	2.7
155.03511	0.6
162.05608	0.3
163.03990	6.1
164.04291	0.3
173.04529	5.5
190.05052	0.5
191.05602	100.0
192.05927	2.6
197.69083	0.2
251.11401	0.9
277.43732	0.3
337.09265	34.2
338.09512	2.2
352.10266	1.2
406.22226	0.5
690.28571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16256	1.0
56.03596	0.9
57.18503	0.8
59.01378	14.1
61.65533	0.8
61.98822	2.4
68.01397	1.0
69.02412	0.9
69.16738	5.8
71.01380	6.0
73.02919	1.3
82.01740	1.3
82.06602	1.6
84.04536	1.1
85.02935	3.0
86.02477	3.1
87.00866	2.6
89.02432	3.5
93.03438	3.8
95.02509	25.2
96.00897	6.8
96.95987	3.9
98.01207	1.8
98.02431	1.7
101.02433	3.1
106.04258	1.1
107.05016	1.1
109.04070	9.7
111.01985	3.3
111.05602	1.2
112.00391	4.2
112.04049	3.8
113.02435	4.0
116.05050	2.9
117.03474	1.2
117.54274	1.0
118.06557	1.2
119.03464	1.1
120.02023	2.2
121.02968	1.4
127.05089	2.1
127.07640	1.6
131.03773	6.7
132.04550	8.5
133.05334	13.9
133.07680	1.1
134.03642	1.4
134.06119	18.8
135.04532	2.5
135.05579	1.2
135.08238	1.0
138.03099	8.2
139.08765	1.0
140.07426	0.9
144.04527	1.7
145.08681	10.7
152.04668	6.3
153.06670	1.2
153.10361	2.3
154.08713	1.8
155.08263	76.4
159.03224	1.3
160.04036	17.6
161.04625	1.3
163.08713	1.4
164.04634	1.2
165.10310	3.5
166.08737	2.9
170.06139	1.2
171.05653	2.0
171.10240	1.3
172.04016	1.3
173.04572	3.0
177.01791	1.6
178.05067	9.2
179.05754	1.3
179.08269	1.3
186.05513	2.1
187.05132	3.3
187.09756	3.9
188.05878	13.4
188.10022	1.2
189.06636	3.7
191.05630	9.8
191.08318	1.9
192.06090	1.5
202.37914	1.0
203.08359	1.7
205.09830	1.1
206.09297	2.8
208.10905	1.6
209.09354	3.3
209.11810	7.5
233.10370	2.6
234.08777	6.6
242.11781	1.8
248.10390	1.9
251.11485	3.8
256.07257	5.2
259.14594	1.4
262.11084	1.0
264.10278	29.0
265.13071	1.8
270.08853	1.8
279.11288	7.2
281.12979	4.5
307.10654	1.6
376.20395	2.4
403.12537	2.2
420.19318	5.1
474.20151	7.7
489.21292	4.9
511.18170	4.6
516.22565	30.4
517.22900	1.4
518.19159	3.1
530.23987	8.1
533.20587	2.0
574.23114	2.3
576.27509	1.2
577.28558	3.9
602.26221	2.2
646.25183	23.6
646.34497	0.9
647.25781	1.4
690.24084	100.0
691.24158	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
59.01379	7.0
60.01383	1.1
60.68440	0.9
70.02968	1.5
70.26531	1.2
70.26867	2.1
71.01366	2.2
73.02930	1.3
74.97935	0.9
82.01717	2.7
83.02483	2.5
89.02430	1.5
89.22583	1.0
90.54807	1.1
91.05519	1.2
93.03436	4.0
95.02507	2.8
96.00904	6.9
96.04543	2.6
96.96014	2.1
98.02498	2.2
98.22606	1.1
101.02414	1.8
107.05020	1.7
109.02986	1.1
111.01958	1.5
111.05650	6.5
112.00371	2.0
113.02442	3.8
113.03573	3.7
113.07218	2.0
116.05037	1.1
117.03439	1.8
118.06630	2.2
120.04459	1.5
122.06123	1.5
123.04627	1.1
123.05625	4.8
124.04031	6.2
131.03732	6.2
132.04582	8.7
133.05334	15.7
134.03751	1.7
134.06119	44.8
135.04514	3.6
135.05505	1.2
137.07216	3.0
139.03979	1.5
139.05087	1.5
146.06116	4.5
153.06723	1.0
154.05048	2.9
158.04474	1.1
159.03172	1.2
160.04039	18.8
161.02390	1.1
163.05203	2.4
165.06714	7.2
169.14403	1.1
171.05574	1.6
171.07779	6.3
172.04041	1.6
173.04504	2.0
173.07201	2.6
178.05142	6.2
179.03481	3.4
181.09747	1.2
184.90529	1.4
187.05098	2.5
188.05908	11.8
189.06706	14.5
191.05626	3.5
200.07106	3.0
203.08290	1.1
207.07628	1.2
208.08929	1.3
210.06450	5.5
225.08792	2.3
237.09038	1.4
258.11295	1.8
264.10266	21.7
265.10605	1.4
279.11386	6.8
281.12939	28.8
300.02426	1.8
301.11917	11.1
307.10999	1.5
316.09705	1.1
320.12430	1.6
325.11624	1.6
350.15021	1.2
407.66809	1.3
436.18964	1.2
442.51501	1.1
490.20120	7.1
505.20959	1.9
511.18439	1.9
549.20789	1.2
602.26221	7.5
618.25659	1.7
646.25201	19.0
647.24884	1.3
690.24084	100.0
691.24438	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	690.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
63.66916	1.4
71.01389	3.4
82.06624	2.2
83.02496	4.9
89.02448	1.8
93.03450	4.9
95.02505	16.1
96.00919	10.4
106.98531	1.5
107.04976	3.1
109.04073	2.9
111.01997	2.0
111.05625	6.9
112.00403	2.7
112.04066	2.2
113.02454	2.7
113.03572	1.8
116.05022	1.9
117.03413	2.5
119.05023	2.7
131.03799	8.8
131.04619	1.5
132.04541	6.5
133.05312	13.8
134.06122	44.5
137.07188	2.9
138.03076	3.4
138.09242	2.3
139.08719	2.4
145.02945	1.9
146.06094	4.9
148.07655	1.7
152.04617	3.3
152.07179	3.2
153.10297	1.7
154.08746	3.8
155.08267	68.8
156.08528	1.5
159.03233	1.9
159.05598	1.8
160.04042	62.7
162.05615	1.6
165.06676	3.8
165.10274	3.4
166.08670	4.2
167.08168	2.5
169.09813	12.3
172.04059	16.8
173.04576	2.5
174.05673	2.5
178.05093	14.6
181.09840	1.8
186.05626	2.4
187.05115	1.7
188.05933	7.7
189.06697	18.7
191.05595	3.2
191.08258	15.1
203.08226	3.6
205.09811	5.9
209.09474	3.9
217.06122	5.9
229.06076	3.1
234.08827	4.0
242.11998	1.8
248.10344	2.2
251.11362	2.0
256.07214	3.8
264.10394	12.2
273.07367	1.7
279.11389	4.8
281.12875	1.9
286.15656	2.5
287.14160	2.0
330.14554	44.5
331.14771	2.4
340.16611	2.1
374.75885	1.4
384.15649	11.0
387.12943	1.7
399.16901	2.6
405.13995	3.6
420.19086	5.4
474.20340	4.5
489.21057	1.8
496.21994	4.4
511.18912	1.8
516.22589	24.4
518.19440	3.5
530.24121	2.6
540.20996	21.1
584.19867	38.8
585.20331	3.2
602.25977	2.1
646.24854	16.5
672.22864	1.8
690.24133	100.0
691.24414	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	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.99982	0.2
66.91943	0.2
69.03430	0.2
69.33627	1.2
71.01382	0.6
71.16248	0.2
71.84591	0.3
73.02962	0.3
77.79456	0.2
83.05019	0.6
85.02945	5.2
86.60909	0.2
87.00867	1.4
93.03455	3.4
98.22649	0.5
99.04523	0.4
109.02975	0.6
111.04522	1.9
119.05023	21.1
120.05347	0.8
127.03992	1.3
133.02954	0.6
135.04529	2.1
137.02473	0.5
155.03458	1.4
161.02452	1.7
163.04004	40.8
164.04356	1.3
171.02974	0.3
173.04546	4.3
179.03464	1.8
181.13504	0.2
181.17920	0.3
191.05600	100.0
192.05963	3.3
337.09280	15.0
338.09485	0.8
353.08743	17.2
354.09036	1.6
362.96414	0.3
529.02631	0.3
689.26697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
71.01371	0.9
80.02856	0.5
85.02944	5.3
86.06367	0.5
87.00880	1.1
93.03436	2.5
111.04494	1.5
118.43073	0.5
119.05028	19.8
120.05349	0.7
127.04027	1.1
129.96396	0.5
133.03023	1.2
135.04549	1.1
155.03499	1.4
161.02425	1.9
163.04002	35.7
164.04367	1.1
165.72658	0.5
173.04572	2.9
179.03476	1.2
191.05603	100.0
192.05971	5.5
193.06209	0.9
195.06628	0.6
225.19611	0.4
244.22107	0.5
337.09308	13.2
344.43369	0.5
353.08765	14.5
354.09033	1.3
354.19092	0.6
469.16916	0.8
476.29065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
61.98819	7.4
68.23161	1.6
71.01376	4.8
78.65221	1.6
112.63587	1.8
149.05930	1.9
163.11174	1.7
169.32220	1.6
171.10353	1.9
186.75607	2.0
187.27121	2.1
209.11818	100.0
210.12074	3.3
220.82008	1.7
227.12852	11.9
231.96899	1.9
235.08298	2.7
242.38226	1.7
253.09444	4.3
445.20813	6.3
514.20477	2.0
529.22125	2.0
691.30939	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	691.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25106	2.2
59.01370	4.1
61.98824	13.3
69.58942	8.1
71.01386	3.2
77.24516	1.9
78.95896	2.1
83.05022	2.2
87.03416	2.0
93.03449	3.0
95.66127	2.0
98.22593	4.1
102.54182	2.0
120.16984	2.4
121.51741	2.7
134.19014	2.2
137.02438	3.8
182.95604	2.0
207.09946	1.9
209.11824	100.0
210.12257	3.6
227.12903	8.5
235.08276	7.0
253.09285	3.3
445.20874	9.8
483.87369	2.1
527.26282	2.2
673.33624	2.2
691.30817	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.9
61.98825	31.7
64.56862	2.5
69.03476	2.7
71.01371	10.2
72.43918	2.3
89.02425	3.8
93.03452	6.2
101.02414	4.9
137.02432	5.2
172.79544	2.4
173.04611	4.1
181.12344	3.2
191.05592	8.9
191.10776	2.7
192.57236	2.4
201.11377	3.1
202.34764	2.4
209.11819	100.0
210.12151	5.0
218.99780	2.2
225.11267	2.5
227.12868	19.9
235.08183	3.6
253.09319	6.8
275.19910	3.3
293.21222	34.7
397.13507	6.8
405.06726	2.7
415.14453	8.9
445.21008	16.0
631.11908	3.3
637.32208	4.6
655.33411	3.9
691.30902	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	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.3
59.01377	3.0
70.49386	0.3
71.01376	2.2
71.16624	0.2
73.02947	0.5
74.17037	0.3
80.02670	1.0
81.03450	0.9
83.01392	0.4
83.05018	4.2
84.02170	0.7
85.02933	0.6
87.00882	0.4
89.02464	1.6
93.03438	0.5
95.05041	0.7
96.35778	0.3
96.64377	0.2
97.06537	0.3
101.02433	1.5
111.08109	0.3
113.02424	1.1
119.03501	0.4
125.06097	0.5
125.09728	1.0
127.11292	1.3
135.08148	0.6
155.10715	0.5
161.04535	1.1
161.09659	0.7
163.11295	3.5
165.09200	0.5
165.12813	1.8
171.10280	0.9
179.05711	0.3
181.12346	0.7
191.10829	1.3
199.09787	0.3
201.11322	22.3
202.11638	0.9
205.08696	1.7
209.11821	100.0
210.12126	3.8
227.12880	13.2
228.13216	0.6
235.08212	2.4
253.09285	7.9
325.14297	1.0
375.21649	0.8
393.22879	0.5
437.20300	0.8
445.20770	2.6
474.51807	0.3
487.19614	0.7
611.30365	0.3
629.32037	0.6
637.32416	0.4
712.71112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11908	0.3
57.03442	0.6
58.00607	0.3
59.01378	20.9
61.98822	2.4
62.78444	0.3
67.89192	0.3
69.03455	0.9
71.01379	12.7
72.99285	0.7
73.02949	2.3
75.00879	0.3
75.33704	0.3
81.03487	0.3
83.01376	1.0
83.05023	0.4
85.02957	3.2
87.00866	2.4
89.02444	11.1
93.03451	1.0
95.01379	1.0
97.02952	2.1
98.22657	0.8
99.00879	1.0
101.02441	9.1
111.04532	0.4
111.08121	0.3
113.02444	4.4
119.03517	3.0
125.02451	3.7
127.04035	0.4
131.03516	0.7
137.02411	0.6
139.03987	0.8
143.03487	1.8
149.04527	0.5
161.04535	2.0
167.03455	0.3
171.10274	0.7
173.04483	0.6
177.12827	0.3
179.05638	2.6
179.14439	0.5
185.04599	0.3
191.05652	1.5
195.13882	8.1
196.14574	1.1
197.11850	0.9
198.12244	0.3
201.11421	0.4
205.12376	0.6
209.11829	2.5
210.12056	0.4
211.13365	0.6
219.97137	0.3
220.58740	0.3
221.06693	0.7
223.13367	5.5
224.13985	0.6
227.12898	0.7
228.13568	0.5
231.21017	0.4
235.08185	3.1
249.22136	0.3
253.09164	1.5
256.13086	0.8
263.07791	0.4
265.21756	0.4
275.20132	4.0
287.07669	0.4
293.21213	100.0
294.21539	6.2
305.08737	0.7
323.10028	0.5
326.88654	0.3
375.58478	0.3
397.13477	23.2
398.13910	1.0
415.14532	26.3
416.14871	1.4
654.26868	0.7
663.27917	0.3
691.35870	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11731	0.8
55.01907	0.9
57.03456	1.3
59.01377	11.8
59.19548	0.8
60.60791	0.8
61.98831	9.3
71.01385	8.1
72.81116	0.8
73.02940	2.2
74.21791	0.9
75.05027	0.8
81.03435	1.6
83.01378	1.5
83.05032	4.4
83.23083	0.9
84.02191	1.2
85.02937	2.2
86.53712	0.9
87.00868	1.8
88.41392	0.9
89.02440	3.1
93.03447	3.0
95.04999	1.3
96.99279	1.0
97.02979	1.0
97.06586	4.0
101.02444	4.6
113.02461	3.0
114.35011	0.8
119.03490	1.8
123.02666	0.8
125.09758	1.2
133.10207	1.2
135.08188	0.8
139.03983	2.5
140.87479	0.9
150.70357	1.0
151.11296	11.4
163.11298	2.1
165.12790	1.7
169.12340	73.0
170.12747	2.1
171.10286	1.7
173.04555	3.2
181.23781	1.0
191.05640	7.0
195.10141	1.1
197.11824	3.5
201.11290	2.1
207.10211	1.7
209.11824	46.8
210.12144	2.6
211.13411	1.6
213.11290	10.4
216.38931	1.1
225.11165	1.1
227.12866	4.4
235.08028	1.6
253.09320	4.4
293.21231	1.3
306.82260	1.0
313.54630	1.0
343.01419	0.9
431.19299	1.2
449.20282	4.4
495.68726	1.2
632.91858	1.0
641.31451	1.4
647.35980	1.1
659.32831	100.0
660.33099	11.9
691.35529	12.0
692.35297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05722	1.5
59.01375	18.6
61.62306	1.8
61.98820	6.8
69.03421	2.4
71.01389	9.8
73.03735	1.7
77.87814	1.6
79.85127	1.8
82.06591	2.2
83.05019	3.4
85.02946	4.9
89.02444	5.4
93.03441	4.9
95.02505	2.4
96.00913	19.4
96.08179	1.8
96.96008	3.0
98.01173	2.6
98.02446	1.6
101.02431	7.2
102.31367	1.7
107.05080	1.8
111.01965	3.7
111.05649	17.6
112.04029	7.1
113.02441	11.9
113.03559	4.3
114.05579	2.9
116.05080	6.5
120.04534	5.1
123.04530	2.5
127.08822	2.4
129.06703	5.3
129.10309	7.2
131.03749	7.4
132.04565	12.1
133.05328	27.6
134.06131	39.8
135.04536	11.8
136.04796	2.9
137.02495	2.2
137.07224	3.1
139.08730	6.0
146.06093	4.4
150.04196	2.0
153.80879	1.9
155.08258	85.4
160.04031	27.0
165.06696	6.2
165.10320	6.4
166.02707	5.5
166.08701	5.0
167.08208	2.1
172.04033	2.5
173.04703	3.8
173.07108	2.0
178.05045	12.6
179.03479	6.0
179.05518	3.2
181.05048	7.4
186.05627	3.0
187.05275	2.0
188.05846	11.2
189.06665	7.2
191.05583	4.7
201.11348	10.7
202.11655	4.2
205.08594	2.6
208.07332	2.1
209.09378	10.4
209.11813	55.6
210.12132	23.3
222.09122	2.0
226.08340	2.0
227.12903	6.8
228.13217	3.5
242.11888	3.0
253.09302	4.7
259.14343	2.1
264.10269	63.3
265.10452	3.2
279.11313	7.1
281.12936	13.4
394.21393	2.4
417.15613	13.2
420.19302	7.6
441.37918	1.7
451.19669	1.7
474.20297	22.7
489.21594	2.1
491.23013	2.9
517.28198	5.7
518.19586	2.8
535.21490	2.9
555.54382	2.1
578.28979	5.1
579.30560	9.5
586.26746	6.5
604.27722	6.4
630.25427	19.5
631.25684	3.0
648.26123	3.3
674.24579	100.0
675.25012	13.6
692.25739	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05722	1.5
59.01375	18.6
61.62306	1.8
61.98820	6.8
69.03421	2.4
71.01389	9.8
73.03735	1.7
77.87814	1.6
79.85127	1.8
82.06591	2.2
83.05019	3.4
85.02946	4.9
89.02444	5.4
93.03441	4.9
95.02505	2.4
96.00913	19.4
96.08179	1.8
96.96008	3.0
98.01173	2.6
98.02446	1.6
101.02431	7.2
102.31367	1.7
107.05080	1.8
111.01965	3.7
111.05649	17.6
112.04029	7.1
113.02441	11.9
113.03559	4.3
114.05579	2.9
116.05080	6.5
120.04534	5.1
123.04530	2.5
127.08822	2.4
129.06703	5.3
129.10309	7.2
131.03749	7.4
132.04565	12.1
133.05328	27.6
134.06131	39.8
135.04536	11.8
136.04796	2.9
137.02495	2.2
137.07224	3.1
139.08730	6.0
146.06093	4.4
150.04196	2.0
153.80879	1.9
155.08258	85.4
160.04031	27.0
165.06696	6.2
165.10320	6.4
166.02707	5.5
166.08701	5.0
167.08208	2.1
172.04033	2.5
173.04703	3.8
173.07108	2.0
178.05045	12.6
179.03479	6.0
179.05518	3.2
181.05048	7.4
186.05627	3.0
187.05275	2.0
188.05846	11.2
189.06665	7.2
191.05583	4.7
201.11348	10.7
202.11655	4.2
205.08594	2.6
208.07332	2.1
209.09378	10.4
209.11813	55.6
210.12132	23.3
222.09122	2.0
226.08340	2.0
227.12903	6.8
228.13217	3.5
242.11888	3.0
253.09302	4.7
259.14343	2.1
264.10269	63.3
265.10452	3.2
279.11313	7.1
281.12936	13.4
394.21393	2.4
417.15613	13.2
420.19302	7.6
441.37918	1.7
451.19669	1.7
474.20297	22.7
489.21594	2.1
491.23013	2.9
517.28198	5.7
518.19586	2.8
535.21490	2.9
555.54382	2.1
578.28979	5.1
579.30560	9.5
586.26746	6.5
604.27722	6.4
630.25427	19.5
631.25684	3.0
648.26123	3.3
674.24579	100.0
675.25012	13.6
692.25739	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39190	1.0
58.55877	1.1
59.01376	9.6
60.99288	3.3
61.98817	1.3
67.01897	8.8
69.03442	3.8
71.01382	8.7
72.99308	1.2
73.02954	1.6
73.11399	1.3
80.81454	1.0
81.03455	2.1
81.39222	1.1
82.95396	1.4
83.04990	1.7
85.02957	11.6
87.00867	10.7
88.36875	1.1
89.02422	3.7
93.03456	63.7
94.75040	1.3
95.05010	1.3
96.96004	2.5
99.00883	2.2
99.04520	1.5
101.02456	3.1
103.91985	1.3
105.03439	2.1
107.04996	1.5
109.02931	3.4
111.04514	9.7
113.02410	5.9
113.16296	1.1
115.03980	1.3
121.02962	1.8
123.04479	1.4
127.04022	2.3
132.02179	6.6
133.02945	16.5
133.03894	2.0
134.03770	7.0
135.04546	13.5
137.02441	3.2
143.03471	3.0
143.04491	1.3
149.06052	2.8
151.04019	1.9
155.03467	2.2
155.08356	1.3
160.01663	19.7
161.02489	6.9
161.04584	1.2
161.06079	1.5
173.04535	24.8
174.04828	1.4
175.03938	1.7
177.01903	6.1
177.05484	3.1
178.02710	6.0
179.03494	7.1
179.05661	1.2
185.02406	1.8
191.05606	100.0
192.06026	2.0
193.05054	12.0
204.17926	1.3
215.05592	4.6
220.03773	1.4
227.10747	2.5
278.91721	1.2
321.07651	4.7
339.08759	7.2
351.07156	17.1
367.10226	5.3
381.09738	4.4
441.11697	1.4
499.14755	1.9
501.13977	14.5
513.06879	2.0
513.14044	26.7
519.15082	1.5
693.08246	2.5
693.20288	54.1
694.20709	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	693.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66780	0.7
58.44435	0.7
59.01365	2.7
61.98817	3.5
69.03448	6.1
69.28531	3.8
71.01379	2.7
81.48489	0.7
85.02966	1.3
90.81652	0.7
93.03468	1.4
96.96004	2.5
98.00086	0.8
99.00926	0.9
101.02448	1.1
109.02982	0.9
113.02450	26.2
116.92871	1.8
123.00912	1.4
134.03737	1.3
137.02446	5.2
149.02419	0.8
150.06857	0.8
150.97865	0.8
151.00356	7.2
152.04785	3.5
161.04517	1.1
166.02718	34.9
167.03453	1.5
173.04527	0.8
177.01927	1.3
181.05063	51.7
182.05426	1.0
190.06354	1.0
191.05630	1.7
193.05000	0.9
205.05058	0.7
205.08725	1.2
209.04465	0.9
211.51497	0.8
241.12312	5.8
255.10292	3.2
265.08536	0.9
283.09601	1.2
387.10794	7.7
387.14981	1.3
402.13049	5.7
417.15549	100.0
418.15854	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	693.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30006	0.2
59.01375	0.8
61.98816	1.3
67.01874	0.4
69.03456	5.6
69.37442	0.3
71.01384	1.7
71.83704	0.3
73.02921	0.4
85.02957	1.0
86.25157	0.3
95.01408	0.4
96.36973	0.3
96.95974	0.3
98.00114	0.8
101.02439	0.8
104.59013	0.3
109.02942	1.2
113.02448	27.4
117.34346	0.2
121.02954	0.4
123.00891	0.8
125.02482	0.4
137.02432	5.7
139.03987	0.4
146.06088	0.4
149.02440	0.5
151.00375	8.4
151.03976	0.7
152.01089	0.6
152.04791	1.9
153.05484	0.3
159.04526	0.4
161.04523	0.7
163.04074	0.3
165.01913	0.7
166.02707	35.0
167.03418	1.9
174.03162	0.3
175.04036	0.8
177.01973	1.9
177.05554	0.6
179.03461	0.7
181.05058	51.7
182.05411	1.0
189.05585	0.3
190.02715	0.4
190.06277	0.8
191.03412	0.4
191.05598	0.6
192.04205	0.5
193.04987	0.5
195.02913	0.5
205.05040	0.7
205.08673	0.6
207.06653	1.0
218.95885	0.3
221.38655	0.3
241.79301	0.3
359.11295	1.1
387.10757	8.2
388.11353	0.7
402.13187	6.1
403.13565	0.7
417.15530	100.0
418.15884	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	693.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93626	1.2
57.03407	1.2
59.01379	23.4
61.98839	13.5
70.97803	2.0
71.01375	9.9
73.02959	1.5
80.08708	1.2
85.02937	2.9
87.00903	1.5
89.02429	8.7
90.48180	1.1
95.01397	1.5
96.96008	1.4
97.02946	2.4
101.02453	9.7
104.26233	1.3
111.64215	1.9
113.02464	3.7
113.09734	1.6
116.92861	7.3
119.03501	3.1
124.38988	1.7
125.02445	2.8
161.04385	1.8
173.04594	1.9
174.76552	1.2
178.02751	1.8
179.05638	2.8
183.13966	1.5
191.05579	3.0
195.13925	12.1
209.11835	26.4
210.12239	1.5
211.13399	21.7
227.12933	6.7
235.08150	2.2
253.09306	3.1
256.66714	1.5
262.20425	1.7
277.21750	12.1
281.12598	1.7
295.22769	100.0
296.23129	2.7
313.39804	1.3
320.94019	1.5
397.13507	18.5
415.14462	21.5
445.20654	2.7
447.22501	1.8
592.92651	1.3
630.29260	2.6
693.31989	11.9
694.33282	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	693.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10866	3.6
57.73901	3.2
59.01379	17.4
61.98826	17.2
69.34108	3.5
71.01382	8.8
93.03465	5.1
96.95995	3.9
113.02341	3.9
116.92902	9.2
123.17274	3.7
140.06195	3.6
140.15146	3.6
173.04637	5.8
191.05647	7.8
195.13811	6.3
209.11816	62.5
211.13391	100.0
227.12897	21.3
235.08179	7.3
253.09129	5.6
277.21725	5.8
295.22772	48.0
343.56244	3.9
397.13281	10.0
415.14636	8.9
445.20752	5.7
447.22232	26.8
464.97391	4.1
525.43048	3.9
693.32611	45.0
694.32788	6.6
697.33777	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	693.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.20425	0.6
57.03432	1.0
59.01378	40.1
61.98826	1.4
69.03436	2.2
69.15210	3.6
71.01379	26.8
73.02947	4.4
82.86522	0.6
82.95385	0.6
83.01397	2.2
85.02955	8.6
87.00874	1.6
89.02441	19.4
95.01371	1.8
96.96008	1.2
98.21896	1.4
99.00881	2.3
101.01786	1.2
101.02444	19.3
102.11556	0.5
113.02444	17.7
119.03495	6.5
119.05048	0.7
129.01927	1.1
135.09947	0.6
139.04007	1.3
143.03471	1.6
159.02975	1.2
161.02443	0.8
161.04578	3.9
171.21632	0.6
172.95851	0.7
173.04469	0.7
179.05603	2.9
191.05513	0.9
209.11786	0.8
417.24963	8.3
495.33051	1.8
531.15607	0.6
579.30188	100.0
580.30530	9.1
693.33118	5.1
694.33417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44837	0.7
52.99977	0.6
54.12680	0.6
54.13709	0.6
55.01879	2.0
57.00262	0.6
57.03445	1.5
59.01380	38.8
65.27822	0.6
69.03455	15.0
70.73793	0.6
71.01383	17.4
71.05574	1.0
73.02953	4.4
83.01394	3.3
85.02940	8.8
86.00094	1.1
87.00867	1.8
89.02449	9.3
93.03464	1.6
94.03014	1.3
95.01377	1.9
96.95999	0.9
97.02971	1.0
98.00098	1.2
99.00880	2.3
101.02443	15.1
111.00880	1.0
112.01666	2.0
113.02450	87.6
114.02755	1.3
119.03503	3.7
119.69098	0.7
123.04520	0.7
124.01678	1.3
125.02441	2.1
127.03982	2.1
131.03423	0.9
134.03754	1.5
135.04558	0.8
137.02423	1.4
143.03539	0.9
147.04544	2.5
149.02393	1.7
151.03990	1.9
152.04808	0.8
155.03578	0.7
159.03046	1.0
161.04550	4.5
161.05635	0.7
163.04013	1.8
165.01891	1.1
165.05591	3.9
173.04530	0.8
173.09773	0.8
179.05574	1.3
179.07018	0.8
181.05084	0.9
186.06880	0.9
191.05585	1.4
193.05080	4.0
195.06572	1.5
196.11827	0.6
207.06645	1.6
261.13318	2.0
267.32614	0.8
303.14517	1.5
332.13504	1.2
405.54492	0.7
410.08322	0.7
419.13681	1.0
434.18030	0.9
442.18619	1.0
446.17700	0.7
452.19263	2.1
486.21149	1.4
496.18146	0.8
518.20746	2.6
523.21411	0.8
536.20947	7.1
544.21698	1.9
548.21350	2.3
549.22620	0.8
562.23004	4.8
580.23993	100.0
581.24268	7.4
694.27087	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	695.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75914	0.2
59.01363	1.0
67.01870	0.2
69.03458	1.2
69.43858	0.4
69.44244	0.4
71.01377	0.9
73.02958	0.2
74.04430	0.2
78.95874	0.2
79.15411	0.2
85.02943	5.3
87.00861	1.4
93.03451	2.1
109.02938	0.4
111.00854	0.3
111.04508	0.8
112.01655	2.3
113.02437	2.2
127.04008	1.3
133.02969	0.5
135.04547	1.0
139.56792	0.2
155.03412	0.2
157.01408	0.9
161.02408	1.4
167.01768	0.3
171.03088	0.3
173.04546	0.9
179.03481	0.8
191.05589	100.0
192.05923	1.5
194.96985	10.3
196.98561	0.7
221.02115	0.4
252.95253	0.2
265.01132	0.5
329.94629	0.2
333.19128	0.2
353.08728	19.4
354.09085	0.8
423.01849	0.4
426.74841	0.3
432.93311	0.4
552.73364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61326	0.4
55.01874	0.9
57.03442	0.6
58.40746	0.3
59.01379	100.0
60.01722	0.4
60.03439	0.3
63.51179	0.4
66.20891	0.3
69.03459	4.1
69.75227	0.7
69.75579	1.0
71.01379	9.4
71.59873	0.4
73.02950	4.4
83.00955	0.4
83.01366	1.7
85.02943	4.3
87.00889	0.6
89.02448	3.6
93.03461	0.9
95.01391	0.8
96.96024	1.4
97.02952	4.8
99.00899	1.3
101.02447	10.6
101.03098	0.5
113.02448	11.3
115.00383	0.6
116.92891	0.5
119.03529	0.6
121.02946	0.7
123.04534	1.1
135.04547	0.6
143.03545	0.6
149.06088	1.3
153.05603	0.4
159.03011	1.0
161.04536	3.9
167.03470	0.9
191.05702	0.6
193.05098	3.5
197.04507	1.8
198.04887	0.3
207.08727	4.5
235.11859	21.0
235.84895	0.4
236.12314	0.7
277.12930	12.0
278.13406	0.5
321.11975	1.6
371.09875	0.3
373.11371	8.7
480.01675	0.4
484.56046	0.4
571.47809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39658	0.7
53.36293	0.6
55.01876	1.1
56.24775	0.6
57.03449	1.1
59.01376	26.9
61.98829	7.7
69.03459	1.1
71.01379	24.1
71.43453	0.7
72.99293	0.9
73.02950	4.4
79.90069	0.5
83.01381	2.5
83.05035	1.0
85.02958	6.7
87.00875	2.8
89.02443	10.7
91.67696	0.6
93.03449	2.5
95.01408	1.5
97.02949	1.0
99.00842	0.8
101.02441	16.4
106.03546	1.2
106.04242	17.8
109.02931	0.7
109.06641	0.6
113.02453	9.3
115.92049	0.7
116.92850	2.5
119.03512	5.2
121.02930	2.0
125.02440	2.5
127.03972	2.5
131.03513	1.8
131.10005	0.6
134.25336	0.5
136.05261	1.3
137.02446	1.1
138.03262	1.6
139.04021	0.9
139.07600	1.2
143.03479	3.6
145.77620	0.6
148.72302	0.6
151.03964	1.1
151.07658	4.5
159.03026	1.2
161.04530	7.6
171.10329	0.9
173.04520	2.2
179.03571	0.8
179.05606	3.6
191.03833	1.0
191.05591	6.5
197.11899	0.8
209.11813	2.5
210.06865	1.1
221.06685	4.1
241.27248	0.7
257.11826	100.0
258.12173	5.9
323.09760	5.1
344.14154	0.6
410.07938	0.7
419.16910	3.9
451.25760	0.8
473.32925	1.2
531.31372	0.9
581.22388	47.2
582.22638	4.7
615.37238	1.3
659.36292	3.7
695.30402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03442	0.6
59.01378	14.8
67.52737	0.2
69.03443	0.5
69.22395	0.8
69.22795	0.4
71.01379	15.8
72.99313	0.5
73.02943	3.3
75.00826	0.2
81.03458	0.2
83.01383	1.8
83.66398	0.2
85.02950	5.2
87.00885	1.7
89.02441	8.1
93.03480	0.5
95.01392	1.1
97.02962	1.0
99.00875	0.7
101.02439	12.4
106.04243	16.6
113.02449	8.8
113.03252	0.4
119.03506	2.6
120.02145	0.4
121.02901	0.3
125.02419	0.6
129.01903	0.2
131.03511	1.7
136.05292	1.7
137.06061	0.3
138.03217	0.6
143.03497	3.7
151.04010	0.9
151.07645	3.8
158.92140	0.2
159.02960	0.7
161.04547	7.1
179.05573	1.7
191.05592	0.2
195.06570	0.2
210.06812	1.2
221.06654	3.1
255.10431	0.4
257.11819	100.0
258.12112	5.2
305.09064	0.2
323.09741	2.3
419.17096	4.1
420.17224	0.3
450.96646	0.2
469.07925	0.2
480.04813	0.2
491.66544	0.2
581.22357	46.7
582.22736	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80745	0.4
59.01366	1.9
59.01630	0.4
61.98830	2.0
62.85914	0.4
69.13831	1.6
69.14233	1.0
71.01372	1.1
80.61918	0.5
81.97181	0.5
85.02911	0.5
96.96021	0.6
101.02430	0.9
106.04230	4.2
113.02456	0.7
149.06076	0.6
161.02356	0.4
161.04573	0.5
163.07654	4.4
164.08424	15.4
165.09058	0.6
175.03947	0.7
177.82408	0.5
179.10770	19.1
180.11111	0.5
191.05513	0.7
255.10034	0.8
270.12601	1.3
272.95993	0.6
285.14966	100.0
286.15350	5.3
290.91864	0.5
314.97028	1.4
337.09467	0.6
408.11603	0.5
429.19217	7.2
447.20197	7.8
448.20291	0.9
486.20984	0.5
489.21292	17.0
490.21674	1.1
495.33243	0.8
551.39343	0.4
695.22864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
59.01377	100.0
60.01724	0.6
64.33688	0.3
69.03455	1.0
71.01379	15.9
72.99307	0.5
73.02943	30.9
75.00885	0.5
83.01382	7.3
85.02946	2.5
87.00919	0.6
89.02444	9.2
94.07865	0.3
95.01412	0.9
96.96004	0.3
97.02982	0.6
99.00919	0.5
101.02438	24.9
104.94614	0.3
113.02445	9.7
119.03492	4.3
119.04176	0.4
125.02490	0.7
131.03491	2.8
135.04588	0.3
139.04083	0.6
143.03514	3.1
149.04550	6.1
155.03487	1.0
159.03105	0.3
161.04558	11.1
164.04872	0.4
179.05685	0.9
191.05672	0.6
203.05547	1.6
221.06598	3.2
223.06180	0.5
261.13504	0.4
266.94501	0.3
303.14453	1.7
344.43259	0.3
347.91779	0.4
419.13779	0.9
507.63391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74648	0.7
58.02970	6.7
59.01357	1.9
63.22615	0.7
66.03485	1.2
69.31425	2.6
70.02953	1.0
71.01385	1.1
72.00892	0.9
74.02098	1.3
74.02474	16.5
76.48240	0.7
81.04568	0.9
82.02978	1.9
82.86567	0.6
85.02965	0.7
86.02480	6.3
86.06078	1.0
86.99093	1.3
87.05637	3.6
89.93199	0.7
90.00214	1.6
96.96014	1.4
97.04069	2.4
99.05643	16.5
99.44305	0.6
101.07213	2.4
102.05600	2.6
105.87006	0.8
109.04070	2.1
109.07697	1.7
111.05605	1.2
112.04036	2.3
116.01743	1.4
121.02988	1.0
123.05614	0.9
125.03553	1.7
127.05131	3.6
128.03537	42.6
133.92371	0.6
135.05621	4.2
137.07155	1.0
141.06697	2.8
143.04623	55.0
144.04994	1.6
145.06152	2.3
146.04582	5.2
147.61592	0.8
149.07181	1.1
153.06706	4.1
155.08267	0.8
160.00734	12.3
166.09851	3.5
167.04581	4.1
167.08276	3.6
170.03346	1.2
171.04115	0.8
177.03377	5.2
179.04616	12.4
181.06232	1.7
184.11020	0.8
185.05676	2.3
191.05637	7.5
192.07849	1.0
197.05743	1.5
210.08862	10.3
228.09860	0.8
242.07805	0.9
254.07803	20.8
272.08878	40.8
273.09192	0.9
288.06610	14.2
306.07632	100.0
307.07910	4.0
348.16107	0.8
378.20947	2.0
566.25928	0.8
677.28705	1.9
695.29816	17.9
696.29529	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	696.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87614	0.2
59.01363	1.3
61.98829	100.0
69.57571	0.5
71.01391	0.5
74.42225	0.2
80.26812	0.3
81.03008	0.3
85.02959	0.4
96.96027	0.4
98.21918	0.5
107.87759	0.3
113.02463	1.1
123.04635	0.3
127.04029	0.3
128.53267	0.3
136.01665	2.4
151.04005	3.7
161.02470	0.5
161.04550	0.4
173.04666	0.3
191.05586	0.4
227.10513	0.3
281.04764	0.3
287.13004	0.8
296.06873	0.3
318.77383	0.3
318.92584	0.3
357.13373	6.1
357.17618	0.3
358.13834	0.5
449.18427	0.3
495.33405	1.1
496.33817	1.1
505.18707	1.8
517.18689	2.8
535.19556	0.6
576.24707	0.4
636.27356	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	696.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
69.03428	0.9
69.56227	0.9
69.56620	1.0
73.02935	0.7
80.95680	0.4
81.03428	2.4
83.01368	2.4
84.04534	0.7
86.06104	0.9
93.03447	0.9
95.01359	0.6
95.05045	2.3
97.02943	6.6
98.03710	0.7
98.61852	0.4
99.04511	0.6
104.58968	0.5
108.02137	0.7
109.02947	19.9
111.04511	1.4
115.04028	0.5
121.02967	2.4
122.03696	0.9
123.04514	12.1
125.02452	13.4
135.04527	1.6
135.59537	0.4
137.02443	8.6
139.04015	2.8
139.07582	0.4
139.52965	0.5
145.02998	0.7
146.03743	0.9
147.05489	0.4
147.11784	1.6
149.02415	3.4
150.03200	0.7
151.04008	6.4
159.04506	1.7
160.05246	1.3
161.02367	0.7
161.06067	4.8
162.03242	1.0
163.04025	0.7
164.01181	2.8
165.01917	3.6
166.02742	0.6
167.03473	1.5
173.05974	0.7
175.04004	1.9
175.07645	1.8
179.03516	4.9
187.03975	3.6
188.04771	2.9
195.44173	0.5
201.05551	0.7
202.06348	1.4
203.07120	10.2
204.07458	0.7
204.11569	0.5
205.05081	7.5
221.08159	2.0
227.07141	1.8
230.05740	0.6
231.03012	0.6
245.08168	14.3
246.08466	0.7
247.06044	1.0
271.06119	1.0
287.05722	0.5
289.07153	100.0
290.07529	5.1
331.56055	0.5
344.22293	1.9
362.23447	0.7
364.64496	0.5
384.38736	0.4
388.21246	2.5
406.22308	46.4
407.22717	3.5
574.34485	0.5
634.65985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
58.29079	0.4
58.61211	0.5
69.03448	1.5
69.72300	1.6
69.72649	0.6
73.02941	0.8
76.53504	0.4
81.03446	2.7
83.01369	2.4
84.04523	0.9
87.04499	0.6
93.03471	1.4
95.05019	2.6
97.02938	7.7
98.03757	0.8
99.04524	0.5
106.34557	0.5
108.02161	1.1
109.02942	22.1
110.03276	0.7
111.04521	1.3
112.04005	0.6
116.49113	0.4
121.03008	2.9
122.03772	1.2
123.04525	12.2
125.02441	13.8
127.98380	0.5
135.04482	1.2
137.02435	9.5
138.03226	1.1
139.03969	3.3
145.02953	0.5
146.03722	0.5
147.04440	0.6
147.11806	1.7
149.02446	3.6
149.06061	0.5
150.03195	0.7
151.03993	7.4
159.04495	1.8
160.05214	1.7
161.02417	0.8
161.06067	4.5
162.03217	1.3
163.03993	1.1
164.01117	2.5
165.01918	3.1
166.02710	0.8
167.03487	2.0
173.06081	0.8
174.03262	0.5
175.03999	1.7
175.07642	2.0
179.03474	4.4
183.04370	0.6
185.06114	1.0
187.04001	3.8
188.04778	3.2
192.10411	0.5
201.05518	1.1
202.06326	1.5
203.07120	11.5
204.07655	0.8
205.05064	6.7
217.08803	0.8
221.08179	2.5
227.07098	2.8
230.05817	0.8
230.64096	0.6
231.02942	0.7
245.08173	15.3
246.08514	0.7
247.06192	1.4
259.06049	0.6
271.06274	0.5
287.05585	1.1
289.07153	100.0
289.48001	0.6
290.07529	4.2
306.39279	0.5
326.21216	0.7
344.22241	3.0
388.21289	2.9
404.20422	0.6
406.22314	45.1
407.22809	3.1
408.23596	1.4
433.21890	0.6
486.61298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35165	3.8
59.01382	42.3
59.46815	3.8
61.23463	3.9
61.98835	10.1
71.01363	20.4
71.26039	3.9
71.41904	4.4
78.95901	21.4
89.02451	19.6
96.96042	6.5
97.02935	7.0
101.02438	16.0
113.02470	10.3
113.78928	4.8
115.52567	3.5
119.03492	4.0
125.02450	11.6
140.80656	3.6
152.99585	12.7
161.04594	7.7
235.08160	7.0
255.23253	61.9
279.23306	8.6
305.08667	4.6
323.20721	4.6
397.13492	100.0
398.13760	4.8
415.14554	25.5
595.29034	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03429	1.0
58.00585	0.4
59.01378	36.6
61.98816	2.1
68.66550	0.3
68.99794	0.6
69.03441	1.0
69.43494	0.3
71.01381	22.9
72.99297	1.0
73.02949	5.2
75.00851	0.6
81.03449	1.3
83.01395	3.1
85.02955	5.0
87.00871	4.4
89.02440	21.7
91.94652	0.4
93.03429	0.4
93.04485	0.4
95.01385	1.3
97.02945	3.5
99.00875	1.7
101.02440	18.8
109.02953	0.5
109.21263	0.4
111.00928	0.4
111.04506	1.0
113.01707	0.6
113.02446	9.2
115.04050	0.4
119.03506	5.8
121.02957	0.8
125.02438	9.1
131.03505	0.7
133.05074	0.8
139.04001	0.6
141.01936	0.4
143.03484	3.7
149.04510	0.7
161.04549	3.6
169.05049	0.4
179.05627	4.8
185.04591	0.6
201.11266	1.6
203.05646	0.4
217.07135	0.7
221.06680	1.5
235.08209	9.9
238.25804	0.4
245.06642	0.6
253.09264	2.0
255.23285	68.3
256.23605	3.3
263.07690	0.8
277.21649	0.6
287.07690	3.6
305.08752	4.3
315.88956	0.4
323.09778	1.3
379.12430	0.7
397.13477	100.0
398.13861	4.0
415.14548	31.1
416.14545	0.8
653.37512	5.9
654.36951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93615	0.6
59.01377	9.4
61.98831	4.0
66.17778	0.7
66.71905	0.6
69.06323	1.2
69.06725	3.9
71.01369	2.6
73.02901	0.8
73.89667	0.6
89.02447	2.1
96.96004	1.3
101.02414	1.2
103.01473	1.5
106.04235	1.7
113.02440	0.9
116.92871	0.8
119.03473	1.0
121.02951	4.6
123.04485	0.8
135.04543	1.0
136.05296	2.1
137.06104	4.6
150.06866	1.4
151.04028	1.4
152.04865	0.7
164.04752	1.0
165.05568	16.1
166.06357	24.3
167.19734	0.7
179.05646	0.9
180.04359	0.7
191.05663	1.2
255.10307	1.1
257.11975	0.9
271.13382	6.8
272.10544	15.1
273.10931	1.1
285.11319	3.5
286.12051	2.6
287.12885	100.0
288.13199	5.5
295.94638	0.7
301.05194	0.8
310.08490	0.9
415.17618	1.0
431.16962	2.0
433.18463	1.1
449.18170	11.1
487.17560	1.9
491.19235	43.1
492.19504	3.8
499.17746	1.0
517.18994	1.1
697.18060	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22763	0.3
55.01866	0.4
59.01386	2.0
71.01378	1.1
75.00889	0.4
77.29871	0.3
85.02950	0.4
89.02443	0.4
95.05011	0.3
98.78135	0.3
99.92599	0.8
100.09573	0.3
101.02422	0.8
113.02465	0.5
116.92868	5.9
117.92854	0.4
121.02953	5.8
121.22217	0.3
135.04543	0.9
136.05299	6.6
137.05727	0.4
150.06827	0.3
151.07655	0.6
158.96533	0.3
161.04533	1.1
165.09158	0.6
185.06020	0.3
186.03307	0.3
191.05544	0.4
196.08934	2.9
205.08701	0.8
211.07677	0.5
240.07933	0.5
241.08650	0.6
255.10252	0.4
257.08194	0.7
272.10529	8.8
287.12888	100.0
288.13248	4.7
311.13010	0.5
329.13943	0.8
379.18683	0.3
407.13074	0.3
431.17084	4.8
432.17551	0.6
449.18253	2.8
491.19247	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	697.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66909	0.3
65.03951	1.4
69.91702	0.7
81.03483	0.5
86.61511	0.3
93.03468	1.5
95.01398	0.4
95.05013	1.1
101.05125	0.3
107.01312	0.3
107.05018	0.6
108.02161	0.5
109.02909	0.9
111.00858	0.5
117.03500	0.4
121.02959	6.4
122.03743	6.7
123.04523	8.3
125.02436	2.3
134.03772	0.5
135.04494	1.0
137.02405	2.7
138.03207	1.1
139.00356	0.7
139.04039	1.6
149.02419	1.0
150.03262	0.6
151.04025	0.9
161.02449	0.4
165.01920	2.1
166.02670	1.1
167.03485	3.7
173.06056	0.7
174.06807	1.1
175.07640	2.5
177.05611	0.6
179.03537	1.0
191.07283	0.4
192.07796	0.7
193.08685	3.3
196.28465	0.3
204.86925	0.3
219.06624	1.5
221.08186	0.5
235.06113	0.5
237.07681	5.8
273.15500	0.4
297.04053	0.7
367.70419	0.4
389.26990	4.6
390.27148	0.5
391.28641	0.5
393.26422	0.8
405.26355	0.9
406.27005	0.7
407.28003	13.7
408.28247	0.8
417.26660	0.5
419.27930	1.5
421.25940	0.9
435.27292	0.4
441.30215	0.6
459.31149	8.4
460.31207	0.4
461.32800	0.9
475.30902	0.6
477.32211	13.8
478.32376	0.9
555.28998	0.5
625.33374	1.1
627.35095	0.8
667.38287	0.4
679.38684	1.1
697.39532	100.0
698.39874	11.6
706.43695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74015	0.6
61.62774	0.6
65.03958	2.1
75.54015	0.7
79.63654	0.5
86.19691	0.5
92.02680	0.9
93.03446	5.0
97.02958	0.6
107.05028	3.7
108.02161	0.7
109.02943	1.2
117.03424	1.0
121.02958	11.4
122.03757	8.8
123.04527	10.0
125.02444	2.7
126.51655	0.6
135.04530	3.3
135.89816	0.6
136.01646	2.0
137.02449	3.9
138.03204	0.9
139.03995	1.0
147.78349	0.6
149.02449	0.8
153.01974	1.0
161.02435	1.2
165.00517	0.7
165.01933	12.9
166.02657	1.3
167.03540	3.7
173.06204	0.6
174.06880	0.9
175.07629	2.6
179.03467	3.1
181.01476	0.8
193.08690	3.9
219.06602	1.8
237.07677	7.1
369.96094	0.6
377.26935	2.6
389.26984	8.5
405.26465	16.4
406.26962	1.3
407.28027	11.4
408.28275	0.9
419.27957	2.3
421.25711	1.2
441.30322	0.7
459.31229	7.3
461.32306	0.8
477.32025	2.9
555.29242	0.8
625.34113	1.2
627.35516	1.7
679.38263	0.9
697.39514	100.0
698.39551	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	697.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69782	0.4
65.03941	1.6
67.26193	0.4
70.68201	0.6
78.38551	0.5
81.03434	0.5
92.81189	0.5
93.03435	2.2
95.05034	0.7
106.04249	1.1
107.01398	0.6
107.05025	5.3
108.02172	0.9
109.02938	2.0
111.00906	0.6
117.03442	2.7
121.02953	7.6
122.03744	10.2
123.04536	10.1
125.02445	4.4
134.03732	1.0
135.03497	0.5
135.04532	8.7
136.01646	0.7
137.02451	5.4
138.03255	1.1
139.00369	0.6
139.04062	1.0
147.08084	0.6
149.02429	0.6
150.03152	0.8
151.04010	1.5
153.01874	0.5
159.04530	0.8
161.02391	1.4
165.01923	4.3
166.02679	2.1
167.03477	3.3
173.06102	1.0
174.06837	0.9
175.07674	2.8
177.01787	0.5
179.03496	2.6
179.17737	0.5
181.01419	2.5
193.08691	10.5
219.06609	2.2
230.61192	0.4
237.07671	15.1
312.11932	0.5
332.00259	0.5
377.26746	1.0
389.26999	12.1
390.27338	0.8
391.28445	4.1
403.24841	0.6
405.26285	3.4
406.26987	0.6
407.28018	9.5
417.26309	0.5
419.28070	4.9
421.25961	5.6
422.25836	0.5
435.27505	1.1
441.30173	1.9
459.31232	6.2
460.31482	0.7
475.30884	1.0
477.31967	1.4
493.31979	0.6
555.29382	0.8
625.33380	0.9
627.35437	1.9
679.38684	1.3
697.39557	100.0
698.39777	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	697.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63939	0.7
70.64262	0.6
77.34015	0.5
79.01880	0.8
81.03443	0.6
81.51904	0.5
106.04258	3.1
107.01366	1.0
107.05023	8.0
108.02158	3.3
109.02946	5.8
121.02975	3.1
122.03788	3.0
123.00848	0.6
123.04568	3.6
125.02448	1.2
132.02158	0.6
133.02942	2.7
135.00861	0.9
135.04521	1.2
136.01633	3.3
137.02434	8.2
138.03055	0.7
139.00380	1.0
139.04033	0.7
149.02449	0.9
149.41647	0.5
150.03207	2.8
151.00342	0.9
151.04001	9.8
152.01135	1.0
153.01952	1.6
159.08299	0.6
165.01976	0.8
167.03490	1.0
175.04007	0.6
175.07657	0.7
177.01909	1.3
177.09181	0.8
180.99898	0.9
181.01416	9.5
191.07156	2.3
195.03017	2.9
203.07100	0.7
207.06584	1.0
209.08168	2.5
220.26707	0.5
221.08189	0.7
235.06273	1.3
237.07582	1.0
253.07120	2.5
261.25928	0.5
279.72382	0.5
373.27518	0.8
389.26965	0.6
391.28491	14.2
393.26508	2.9
403.24750	2.3
407.28024	2.1
417.26398	4.0
419.28610	0.6
421.25909	29.8
422.26566	1.3
435.27499	12.8
436.27942	0.7
443.31512	1.8
447.31003	0.7
457.29221	0.7
459.31168	1.7
461.32700	2.2
475.30603	8.7
476.30884	0.6
477.31970	1.1
493.31635	1.6
555.29590	3.1
625.33521	3.9
639.35022	1.0
679.38348	2.8
697.39502	100.0
698.39673	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	697.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59102	0.7
57.27197	0.7
59.72113	0.7
62.52900	0.6
70.96104	0.9
88.65936	0.7
101.90431	0.6
106.04251	2.3
107.01392	1.1
107.05026	7.5
108.02170	1.3
109.02974	3.9
121.02939	3.2
122.03751	4.5
123.00854	0.7
123.04536	3.9
125.02441	1.1
133.02924	3.4
135.04471	0.7
136.01630	1.6
137.02466	4.2
139.00340	1.4
145.88158	0.7
149.02412	1.6
150.03215	2.4
151.03999	11.2
153.01857	1.6
165.01912	1.2
167.03532	1.1
177.01892	2.1
177.09171	0.8
181.01416	4.8
191.07124	3.1
195.03012	4.3
203.07092	0.9
207.10390	1.3
209.08252	4.0
221.08250	1.4
223.80519	0.7
230.67050	0.8
235.06061	1.2
237.07791	0.9
253.07162	5.4
253.21797	1.9
391.23938	1.1
391.28549	14.0
393.26535	1.5
403.24704	1.7
407.27957	2.7
417.26358	5.3
421.25919	24.1
422.26340	1.5
435.27493	25.9
436.27570	1.6
443.31659	2.9
447.31058	0.8
459.31079	1.6
461.32791	2.3
475.30618	8.9
493.31421	1.9
555.29633	3.3
569.31171	0.9
607.32892	0.8
625.34015	1.1
639.35938	1.0
679.38135	1.8
697.39563	100.0
698.39911	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	698.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40031	0.4
54.42939	0.4
56.64159	0.5
57.15393	0.5
59.01374	0.6
60.84752	0.4
61.64240	0.4
61.98827	100.0
64.40777	0.4
68.01569	0.5
71.42501	0.5
96.96001	0.6
103.11691	0.5
113.02494	0.9
127.75128	0.5
131.62900	0.5
146.06134	0.8
159.04573	0.7
159.34184	0.4
160.05348	1.5
161.04596	0.6
166.98228	0.5
175.07697	1.4
178.06374	1.0
191.05656	1.1
193.08517	0.5
329.13910	12.4
330.14310	0.9
333.40393	0.5
359.15030	6.0
377.78983	0.5
521.20569	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	698.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.5
61.98829	100.0
69.59856	0.6
71.01369	4.7
71.84808	0.6
79.47280	0.6
85.02965	1.9
85.17402	0.7
89.02441	6.1
93.03479	0.9
93.41178	0.6
98.21784	1.0
101.02465	2.5
113.02477	4.0
116.02099	0.7
119.03512	3.3
146.06139	2.2
151.04053	1.5
179.05545	4.6
179.66678	0.7
181.05186	0.9
191.05602	4.1
341.14005	1.7
343.68237	0.7
387.14407	4.0
468.30182	1.0
521.20227	10.8
521.27106	1.0
522.21442	0.8
530.50513	0.7
698.36322	0.9
699.23511	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	698.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93710	0.1
59.01383	0.3
61.98828	100.0
65.48972	0.2
69.17299	0.2
71.43390	0.2
75.75074	0.2
75.90509	0.2
85.02998	0.3
93.03484	0.2
101.02470	0.3
113.02455	1.0
116.84415	0.2
118.63068	0.2
126.31210	0.2
131.03651	0.2
146.06149	0.4
147.14499	0.2
150.03142	0.2
159.04604	0.2
160.05276	1.6
161.04604	0.6
161.06128	0.4
164.04784	0.3
166.58173	0.2
173.06108	0.2
175.07617	1.6
175.08699	0.1
178.06422	0.8
191.05673	0.6
192.07890	0.3
192.75554	0.2
219.83057	0.2
301.92157	0.2
329.13916	13.0
330.14441	0.8
359.14954	7.7
360.15506	0.5
491.19427	0.3
521.20239	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	698.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03388	0.6
59.01307	22.8
59.01640	2.3
61.98776	0.9
69.67157	1.0
71.01302	9.5
73.02899	0.9
78.49712	0.6
80.04986	2.2
83.01327	0.8
85.02932	3.2
89.02439	8.4
93.03400	0.7
95.01312	1.0
96.95918	0.6
101.02434	5.5
104.04964	0.9
106.06608	4.2
108.04445	2.3
113.02456	4.0
119.03487	2.9
121.05219	0.9
122.06022	2.0
130.06516	1.1
132.04457	1.1
134.06120	15.6
136.07556	1.9
139.03903	0.9
146.06036	0.8
148.03876	0.8
148.07574	0.8
152.07149	2.9
154.04562	0.6
157.83035	0.6
160.03960	1.2
173.04523	1.1
174.05472	0.9
180.06665	2.8
188.07167	5.7
191.05467	1.6
211.08620	1.2
223.08640	1.1
224.09363	1.3
225.10284	4.0
227.11754	2.5
234.07817	0.8
235.08585	0.8
236.09370	0.6
237.10263	1.0
238.07370	1.8
239.08234	1.0
239.11673	1.7
249.10324	1.4
251.08232	3.3
251.11777	1.9
252.08919	3.0
253.09857	6.5
263.08084	1.8
264.08847	1.7
265.09836	3.0
266.10361	0.8
267.11383	5.0
277.09711	3.4
278.10324	0.6
279.07648	3.5
279.11209	6.0
280.08337	0.9
281.67715	0.5
291.07721	1.2
292.08643	2.9
292.11188	0.7
293.09329	7.3
294.09970	4.3
295.07666	0.8
295.10828	12.6
305.09381	2.8
307.07657	0.9
307.10846	10.2
308.11133	1.2
314.12399	1.0
321.08771	5.2
333.08621	2.2
339.09821	3.9
351.09766	2.8
370.11829	0.8
372.16995	1.2
386.18182	0.7
400.16391	1.2
414.17923	1.4
426.14340	0.8
440.15927	2.6
442.17877	0.7
458.17072	1.4
468.15271	2.5
486.16516	2.5
620.22400	2.7
622.23932	1.7
638.23596	2.9
648.22162	2.2
666.23004	100.0
667.23279	9.8
698.25641	29.3
699.25909	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	698.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66978	0.5
55.01856	0.5
58.96644	0.6
59.01379	24.7
61.98806	1.3
68.37630	0.6
71.01380	9.6
73.02880	1.7
75.67086	0.6
80.05002	2.1
85.02948	3.1
87.00823	1.2
89.02437	8.1
95.01362	0.8
96.95974	0.6
99.00823	0.6
101.02431	6.3
104.05013	0.8
106.06647	3.3
108.04507	1.9
113.02469	4.3
116.92803	1.3
119.03437	2.5
119.04913	1.0
122.06057	1.3
123.04507	6.6
130.06572	1.0
132.04495	1.4
134.06117	13.1
134.07664	0.7
135.04420	0.7
136.07591	2.0
139.03960	1.0
143.03432	0.7
146.06079	0.7
152.01007	0.6
152.07115	2.7
160.03993	1.1
161.04576	1.1
165.05536	0.7
173.04587	1.3
180.06650	3.4
188.07161	4.8
191.05548	2.1
211.08641	1.8
224.09518	0.7
225.10347	4.1
227.11806	2.2
235.08611	0.8
237.10303	1.4
238.07446	1.5
239.08159	0.7
239.11772	1.8
249.10178	1.3
251.08138	3.7
251.11742	1.7
252.08844	2.6
253.09700	5.4
254.10391	0.9
261.10205	0.8
263.08047	1.1
264.08896	2.4
265.09744	3.2
266.10254	0.9
267.08676	0.5
267.11310	4.2
271.09674	0.6
277.09772	2.5
278.06940	1.1
279.08041	4.5
279.11258	4.1
280.08441	0.7
289.10846	3.6
291.07715	1.5
292.08478	3.0
293.09286	8.3
294.10046	3.7
295.10916	9.9
296.11182	0.7
305.09155	2.0
307.10907	9.9
321.08734	5.6
323.10080	1.0
333.08655	2.3
339.09863	5.6
351.09705	3.1
363.20053	1.3
364.20477	1.0
400.16574	0.9
414.18060	1.7
440.16077	3.0
442.17679	1.8
451.16122	3.2
458.17233	1.9
468.15381	1.9
486.16568	1.5
551.49896	0.7
594.25226	3.0
620.21997	3.0
622.24506	1.1
638.23364	3.8
648.21808	2.0
666.23004	100.0
667.23547	9.8
698.25616	26.4
699.26202	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	699.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
59.01372	60.2
59.92196	1.3
61.98827	1.8
69.03451	2.5
69.73854	3.6
71.01376	48.8
72.99297	1.2
73.02943	22.5
77.66151	1.0
81.03419	1.8
83.01377	3.2
85.02942	11.1
87.00869	1.3
89.02438	71.7
95.01392	2.4
97.02937	3.5
98.22652	1.8
99.00875	26.6
101.02436	29.5
113.02441	9.7
115.03988	3.3
119.03468	2.4
125.02431	4.6
131.03497	9.8
143.03461	1.3
149.04547	40.9
161.04564	6.4
191.05595	10.9
221.06644	4.1
233.06589	1.6
251.07738	5.4
251.14427	1.3
259.85208	1.1
269.15250	1.4
283.16959	2.5
288.36954	1.1
293.08716	2.7
311.09427	1.1
314.11456	1.1
338.45685	1.1
361.09119	1.2
369.11234	1.2
493.80203	1.1
507.21841	1.4
607.24078	13.6
608.24017	1.7
639.26563	100.0
640.26935	14.2
665.52576	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	700.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79433	1.3
52.12731	1.2
55.01879	2.8
55.27608	1.3
57.03465	1.4
59.01378	100.0
59.87161	1.3
61.98826	9.2
69.03455	2.5
70.86942	2.3
71.01385	30.1
71.48815	1.4
73.02946	95.0
75.00935	1.6
83.01386	22.9
85.02957	3.8
87.00954	1.2
89.02434	6.3
94.55006	1.4
99.00923	2.0
101.02441	58.7
105.71613	1.4
113.02470	14.2
119.03513	3.1
119.05015	1.7
122.03706	2.3
124.98819	2.9
131.03488	3.2
133.36275	1.2
137.02452	1.3
143.03476	3.2
149.04535	2.4
150.03194	6.5
161.04546	9.6
162.03204	9.4
163.03934	1.5
171.10274	2.9
177.05614	3.6
178.02708	10.0
189.01927	3.2
190.02647	2.9
190.06339	1.3
197.11792	1.6
206.02182	4.4
209.11813	3.8
221.04590	4.7
234.01704	9.1
241.69670	1.5
249.04028	49.3
264.06290	7.5
277.06985	1.6
463.20084	2.3
478.22357	80.1
479.22516	5.0
552.72180	1.5
572.86096	1.6
581.26172	1.5
609.75903	1.4
700.29846	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	701.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
56.25698	0.8
57.03458	1.3
57.97818	1.1
59.01379	53.4
69.69065	3.6
70.37820	1.0
70.56434	1.0
71.01379	44.8
73.02946	4.0
83.01406	1.5
85.02943	12.4
87.00884	3.5
89.02444	51.6
90.04105	0.9
95.01419	3.6
97.02981	1.1
99.00886	2.1
101.02440	25.7
111.00867	3.0
113.01699	2.0
113.02449	28.3
119.03496	10.5
125.02488	1.6
126.45701	1.1
129.01927	2.5
131.03500	3.6
133.08992	0.9
143.03522	6.4
143.94670	1.1
149.04558	1.5
155.03526	1.1
161.04558	9.1
179.05595	18.5
235.08318	1.7
323.09851	7.0
328.68069	1.1
341.10867	6.8
395.11719	2.1
485.15018	16.3
521.12799	2.1
642.79041	1.2
665.21454	100.0
666.22003	8.1
701.19055	25.1
702.19598	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	701.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28083	1.3
57.03435	2.1
59.01377	46.4
71.01378	38.7
71.41225	1.4
71.41705	1.5
72.99297	1.3
73.02940	3.2
76.95810	1.2
83.01399	2.1
85.02956	11.7
87.00874	2.6
89.02448	45.0
91.80463	1.3
92.55980	1.4
95.01377	2.5
97.02984	1.3
99.00892	1.3
101.02437	26.3
111.00897	2.0
113.02453	24.5
115.07027	1.4
119.03504	5.1
120.23090	1.2
125.02461	1.7
131.03513	3.1
132.68742	1.3
143.03514	4.6
149.04553	2.8
149.73360	1.4
161.04575	9.7
179.05603	19.3
233.06609	1.3
254.48366	1.4
323.09705	6.6
341.10800	8.4
385.38275	1.3
395.86157	1.5
415.67972	1.6
485.15161	15.6
558.32758	1.6
595.33246	1.7
665.21454	100.0
666.21948	5.3
701.19098	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	701.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	4.1
75.06861	0.8
75.25758	0.8
93.03468	0.9
96.95996	1.0
108.02176	35.8
121.02927	1.7
122.03731	2.9
123.04530	19.2
132.02156	1.6
133.02921	2.0
134.03741	4.1
135.04549	1.6
146.06178	1.2
149.02412	2.9
149.06122	1.6
150.03232	11.8
151.00383	0.9
151.04013	7.7
152.01149	81.9
152.71265	0.8
153.01547	1.0
156.05064	0.8
160.01660	10.5
161.02412	2.7
165.05545	10.1
166.02702	4.5
167.03493	100.0
168.03802	2.3
175.03990	13.6
176.04497	1.1
179.03479	1.2
179.07196	0.8
181.05066	8.9
191.05597	2.0
193.05048	7.3
195.06577	2.7
235.06039	5.6
235.09685	1.0
290.11194	0.9
321.57748	0.8
323.07623	3.2
337.05560	1.6
337.09283	19.7
338.09549	1.8
341.10135	2.7
351.72913	0.8
371.11060	1.3
389.12552	1.2
391.14575	1.1
405.40253	0.9
425.16843	1.1
431.13797	1.1
471.12921	1.5
505.13474	10.9
506.14197	1.1
519.15216	1.9
533.16669	4.9
559.14374	1.8
653.18463	1.8
665.18250	1.5
683.20392	1.8
701.20679	9.6
702.21198	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	701.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98721	0.2
71.01378	13.5
77.03971	0.2
82.20876	0.2
98.22668	0.8
98.88659	0.3
107.93855	0.3
113.89251	0.2
115.00372	8.7
118.77018	0.2
121.02954	100.0
122.03274	1.7
141.20227	0.3
153.97958	0.2
168.42120	0.2
173.04536	0.6
233.36659	0.3
234.28850	0.2
237.04042	17.0
238.04370	0.7
240.13593	0.3
246.89235	0.3
397.26465	0.3
530.73108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17412	0.8
55.01891	1.1
57.03441	2.3
59.01377	100.0
61.98821	2.6
69.03462	1.2
70.48927	0.9
71.01381	20.3
73.02952	7.7
73.18674	0.8
76.06738	0.8
80.02664	1.3
81.03437	1.2
82.95405	7.0
83.01382	3.0
83.05021	5.3
85.02945	9.7
87.00877	2.8
89.02467	8.1
91.46671	0.8
93.03471	1.8
95.01365	1.8
96.95998	4.7
97.02955	1.4
99.00873	2.9
101.02438	12.7
109.02962	1.1
111.00861	1.2
111.04532	1.2
113.02452	13.3
114.39388	0.9
119.03485	2.7
123.04515	1.2
125.02433	1.0
125.09696	1.6
126.03230	1.3
127.04010	2.1
131.03497	0.9
136.05261	1.7
137.02437	1.0
139.04013	10.4
139.07628	1.1
140.90118	1.0
142.43518	1.0
143.03503	1.2
161.04570	5.8
163.11298	2.4
165.09164	2.0
165.12900	1.3
171.10361	2.1
177.09093	1.0
191.05586	1.6
197.11838	1.9
201.14973	4.9
209.11816	81.4
210.12227	3.1
227.12869	10.1
235.08209	1.4
237.14912	8.3
247.13557	1.1
253.09259	4.9
266.48679	1.0
331.17471	1.2
334.60553	1.2
345.19177	43.8
346.19467	2.2
363.20221	21.0
377.21667	1.3
387.20215	9.3
405.21259	20.6
406.21454	2.0
435.27475	2.5
453.28409	6.8
477.28839	1.5
479.33664	4.8
597.32672	3.2
642.35083	1.4
657.35132	8.6
658.33514	1.0
701.34766	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	62.8
69.24133	3.5
69.24541	2.6
71.01379	23.4
73.02948	1.7
83.01398	2.1
85.02934	5.4
87.00930	1.1
89.02441	26.9
91.35868	1.2
93.76893	1.2
95.01398	2.2
98.21897	2.6
101.02437	14.9
106.06620	4.7
112.04043	3.3
113.02435	10.6
116.05067	8.1
119.03503	10.0
122.06113	3.3
123.03283	6.2
124.04053	5.0
130.10164	1.2
131.03638	1.7
132.04541	5.2
134.06117	73.1
135.06480	1.6
138.05598	15.4
140.71353	1.2
152.07121	8.6
158.02495	5.3
160.04031	29.9
161.04433	2.2
164.07144	5.6
172.04085	2.2
184.06131	2.8
190.05092	19.3
191.05534	1.8
192.06657	100.0
193.06982	4.6
204.06589	5.9
218.08220	1.4
255.11401	4.9
256.09625	1.4
267.11398	1.7
279.11398	2.6
281.09387	3.4
293.09271	2.3
307.10837	6.1
311.14075	3.2
314.12500	5.6
314.15649	1.1
337.11813	2.1
339.09601	1.1
339.13416	32.8
340.14011	1.4
487.17172	27.2
488.17572	4.2
517.18402	5.8
519.19788	93.0
520.20239	11.1
526.57709	1.3
582.24463	2.3
583.24298	1.4
608.22528	4.6
626.23499	22.7
627.23438	4.4
640.24982	4.0
658.26221	1.8
670.22467	27.3
671.22729	3.6
684.24426	8.1
685.24408	1.4
702.25159	45.4
703.25476	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	702.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	2.5
59.01377	90.4
61.98823	2.4
63.37293	2.2
70.59839	4.2
71.01381	31.3
73.02933	2.9
82.11322	2.5
85.02939	6.8
89.02447	28.3
98.21934	2.7
101.02448	20.7
106.06592	5.2
113.02434	13.5
115.01412	2.4
116.05032	10.4
119.03491	10.6
122.06107	5.4
123.03262	5.7
124.04018	3.5
132.04568	5.0
134.06114	76.7
137.02367	2.5
138.05621	16.9
147.04527	18.5
152.07159	6.9
158.02473	5.1
160.04065	37.1
161.04482	2.5
164.07115	6.9
165.05554	12.5
172.04095	3.4
190.05139	17.2
191.05510	7.0
192.06660	96.7
204.06645	7.5
204.37920	2.4
207.06552	10.5
209.11839	3.3
235.47810	2.6
246.08400	2.3
252.93126	2.4
255.11319	5.5
281.09317	7.6
293.09305	3.5
307.10876	11.4
314.12506	8.3
339.13510	28.4
487.17154	52.7
488.17410	3.2
517.18365	8.0
519.19849	100.0
520.19989	8.9
582.24310	2.8
603.76685	2.8
608.22382	9.7
626.23450	38.0
627.23486	8.6
670.22516	29.7
684.24042	12.3
702.25012	46.0
703.25195	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	702.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
60.65496	0.2
61.98825	100.0
63.15117	0.3
71.01363	0.2
71.43626	0.3
85.06986	0.2
89.02462	0.3
134.20627	0.2
137.02493	0.2
160.47282	0.3
237.82097	0.2
404.65814	0.3
482.79318	0.3
642.26910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07628	0.3
52.10022	0.3
69.52821	0.8
69.53210	0.6
71.01389	0.6
85.02952	0.5
96.96006	0.7
98.22542	0.8
104.05045	1.7
118.06604	0.5
121.02935	2.4
125.02368	0.4
131.03763	2.7
132.04550	86.7
133.04892	2.0
144.04552	9.4
145.05341	7.6
146.06114	81.2
147.06441	3.2
147.84805	0.4
158.06107	19.8
159.06396	0.6
177.04272	5.3
179.54353	0.3
190.05127	0.7
191.05681	1.7
245.09262	0.6
274.07324	0.4
289.09662	1.7
291.11380	54.2
292.11725	3.4
300.08478	0.3
303.08679	0.4
330.68008	0.4
335.10349	37.7
336.10809	2.2
408.23346	0.4
453.16617	1.4
497.15634	100.0
498.16046	7.2
659.21179	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	703.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66505	14.3
56.07984	12.7
59.01377	21.7
61.98821	100.0
70.37565	14.7
71.43430	21.5
73.01770	13.7
93.03448	31.5
109.06601	22.1
111.92419	16.5
125.94164	15.5
126.60010	14.3
137.02438	27.2
163.11269	16.1
185.55811	13.1
207.10175	20.8
209.11868	99.6
210.12100	46.8
213.17499	15.1
223.13377	54.6
225.11246	33.1
234.90535	13.2
300.18698	16.1
325.62479	17.7
359.53415	13.8
360.75983	19.6
649.32458	63.0
667.33197	41.6
696.28961	15.8
703.31677	17.1
707.40149	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	703.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96830	0.5
57.03431	0.7
59.01376	11.9
61.98832	0.9
69.39944	1.9
71.01371	5.2
71.04976	0.5
73.02941	1.6
80.02679	2.0
81.03450	3.5
83.01379	0.8
83.05024	7.5
84.02173	1.3
85.02946	1.8
85.29729	0.5
87.00871	1.8
89.02447	3.6
93.03473	1.1
95.05015	1.4
97.02951	4.1
97.06570	0.8
98.21869	1.0
99.00850	1.1
101.02434	5.4
106.04231	0.6
107.04997	0.8
109.06588	22.7
109.37694	0.5
110.03745	1.7
113.02426	3.1
115.03991	0.6
119.03494	0.7
121.06596	1.2
123.04481	0.6
123.08194	0.5
125.06043	0.6
125.09708	1.6
135.04491	0.6
135.08183	3.2
136.05273	0.8
145.05000	0.5
145.10211	0.8
159.02939	0.5
161.04572	1.9
161.09769	1.0
163.11290	19.1
165.09236	0.6
165.12877	2.9
171.10303	1.2
179.05507	0.9
179.10796	0.7
181.12308	3.2
181.76538	0.5
185.11826	2.4
189.09236	1.6
191.05624	0.6
191.10780	1.5
197.11911	0.6
207.10258	58.9
208.10645	1.5
209.11821	100.0
210.12122	2.7
221.11850	0.9
225.11325	26.6
227.10634	1.0
227.12872	15.3
228.13121	0.5
231.10268	1.0
235.08134	3.9
235.13361	0.8
237.14883	0.9
247.13377	1.3
249.11317	0.8
253.09277	9.5
261.95764	0.5
265.14572	1.0
299.14993	1.1
319.22769	0.9
355.22754	0.9
363.20087	0.5
373.23944	0.9
399.21796	5.1
402.45758	0.5
417.22855	4.8
421.24652	0.5
443.19308	3.4
445.20767	1.4
461.20319	9.6
499.23468	0.5
609.28937	0.6
627.30280	0.7
635.30725	15.4
636.31146	1.0
653.31720	13.4
654.31927	1.4
671.32855	21.1
672.33002	1.9
703.35400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64995	0.3
54.88302	0.2
55.01862	0.3
58.82326	0.2
59.01376	12.8
61.98826	1.3
64.79385	0.2
71.01366	0.8
85.02948	0.3
93.99310	0.3
101.02425	1.2
113.02419	0.4
146.17278	0.2
150.57990	0.3
191.05524	0.5
202.87428	0.3
225.14568	0.3
265.40186	0.3
293.04517	0.6
304.07440	0.3
309.11383	0.4
319.22708	3.3
321.07602	0.7
322.08408	1.3
333.20746	0.4
337.10730	3.2
338.11090	0.4
381.09811	1.7
481.28027	100.0
482.28372	7.2
482.33832	0.2
541.29944	0.3
643.33392	5.1
644.33459	0.4
697.39319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39425	20.6
51.80831	20.0
52.71004	21.7
61.98820	26.1
66.94975	22.3
75.49492	26.1
255.23250	100.0
256.23486	54.1
345.95480	29.0
346.79181	21.4
703.40765	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92200	21.1
61.60080	22.1
61.98823	69.8
74.04438	24.6
143.08881	24.0
162.66777	24.2
164.13896	28.7
187.02866	23.5
187.63197	27.2
200.05745	21.4
209.11887	56.8
210.12222	34.0
241.21776	31.9
255.23288	100.0
255.73897	24.1
256.23779	62.3
277.21909	50.1
305.72876	24.0
493.25189	27.3
703.41608	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36113	0.9
59.01377	3.0
60.99306	2.0
65.37724	0.9
67.01881	6.1
69.03448	1.3
69.11688	1.1
70.64349	1.6
70.91985	1.0
71.01389	3.6
73.02975	1.5
77.03985	2.3
79.59601	1.0
81.03468	1.4
83.05054	1.2
85.02944	8.5
87.00883	11.5
89.03972	1.8
91.05553	1.8
93.03458	45.1
95.05013	4.8
100.47179	1.0
105.03465	13.0
107.05024	5.4
109.02946	10.8
111.04520	7.6
117.03476	2.0
118.37287	1.0
119.05028	1.9
121.02975	1.8
123.04514	3.7
127.04005	2.1
129.48926	0.9
133.02960	80.3
134.03758	15.6
135.04533	24.4
137.02426	1.9
149.02420	1.0
149.06053	1.3
150.03235	3.2
151.03938	1.2
153.05635	1.3
155.03476	2.7
161.02434	3.5
163.03969	2.1
173.04553	34.0
174.04884	1.1
177.01944	33.8
179.03506	9.1
191.05617	99.4
192.05954	3.6
193.05040	18.6
194.05472	1.1
197.04619	1.8
215.05611	41.0
216.06067	1.5
229.01477	1.3
233.59235	1.1
267.06793	1.6
277.05026	1.6
293.04413	1.7
295.06021	3.5
307.08157	6.7
321.03952	5.4
339.05072	13.4
340.05228	1.4
351.07220	100.0
352.07483	6.8
353.08685	10.0
367.10477	6.6
513.10449	23.2
514.10760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03495	1.1
59.01377	2.4
60.99292	1.4
63.95054	1.0
64.25954	1.0
67.01881	7.1
67.96137	1.1
69.03453	1.4
69.87902	1.0
71.01363	3.3
71.04498	1.6
77.03960	2.1
79.97979	1.3
80.79733	1.1
81.03441	1.7
83.05016	3.1
85.02959	8.9
87.00871	10.5
89.03957	1.2
93.03459	43.5
95.05025	5.0
96.23244	1.1
101.85545	1.2
105.03465	14.5
107.05011	3.8
109.02944	9.3
111.04513	8.3
121.02948	1.3
123.04528	5.3
127.04012	1.9
129.01906	1.4
132.03069	1.4
133.02956	100.0
134.03810	9.6
135.04530	25.0
141.58533	1.4
150.03207	3.4
151.04059	1.2
155.03471	3.5
159.04515	1.2
161.02478	2.7
167.03532	3.5
173.04558	37.5
177.01923	41.8
179.03513	8.7
191.05609	97.4
192.05904	2.3
193.05023	10.0
195.08302	1.1
215.05617	29.6
225.91020	1.2
229.01385	2.6
242.38808	1.4
251.07143	1.6
267.06512	2.7
279.80371	1.0
293.04739	1.2
295.05972	3.6
307.08258	5.1
321.03879	3.5
335.45822	1.2
339.05087	21.2
351.07214	88.9
352.07471	5.3
353.08737	9.6
367.10239	4.1
369.54422	1.3
386.89996	1.1
418.20911	1.7
446.60501	1.2
513.10284	29.7
603.69470	1.3
693.25684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23549	0.5
57.03444	0.7
59.01377	8.8
61.98823	3.0
67.05524	0.8
68.99876	0.7
69.03433	1.2
71.01385	5.2
71.05011	0.6
73.02934	1.2
75.04894	0.5
79.95760	0.5
80.52171	0.5
81.03454	1.1
83.01406	0.9
83.05022	2.6
84.93867	1.4
85.02948	1.2
87.00890	3.3
89.02464	3.3
93.03461	2.2
95.05026	4.1
96.96016	14.3
97.02990	0.6
97.06592	0.5
97.95930	0.6
98.95593	6.4
98.96378	1.1
99.00885	1.4
99.92582	20.1
100.92688	0.6
100.93365	15.8
100.94044	0.9
101.02425	2.5
111.04507	0.8
113.02447	1.4
114.93407	0.9
115.03976	1.1
115.92078	24.0
116.92860	100.0
117.92859	2.4
119.03535	0.7
121.03025	0.5
124.01668	0.7
126.94935	0.6
135.04544	0.8
139.04012	50.8
140.04318	1.7
140.92903	0.6
141.93672	1.0
142.94415	1.9
154.94383	0.8
155.03520	0.7
158.93903	1.0
159.02982	1.2
161.04514	0.9
162.87437	0.6
163.11327	1.0
165.12894	1.1
167.95215	0.7
169.93141	0.8
171.10242	2.3
173.04550	2.3
174.93394	0.6
179.03607	0.7
181.12326	0.8
184.91805	1.6
191.05576	6.7
195.94646	0.8
197.11848	3.7
201.11346	1.9
207.10220	1.2
209.11829	39.0
225.11371	1.3
227.12889	5.2
227.97182	0.6
235.08231	0.7
253.09355	2.6
259.15460	0.6
299.01987	0.6
314.98788	0.6
443.13217	0.8
445.20667	1.0
471.13278	1.0
521.33154	4.3
535.19885	1.7
553.20959	1.5
565.21234	6.2
566.21326	0.9
583.22150	9.6
584.22418	1.3
595.22272	1.2
607.22272	1.3
619.24072	2.8
625.22937	1.3
661.25006	6.8
662.25793	0.7
687.32080	3.6
705.24237	11.8
705.35376	4.4
706.24194	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	705.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.00603	0.5
59.01378	100.0
60.01720	0.4
69.03485	0.7
69.94215	0.9
69.94583	0.8
71.01382	20.5
73.02947	9.7
83.01380	2.5
85.02950	7.2
87.00882	1.9
89.02443	10.7
93.03478	1.3
95.01379	2.1
97.02966	0.5
99.00888	0.9
101.02435	13.5
113.02451	19.4
118.55974	0.4
119.03516	5.1
121.02988	0.5
124.01696	0.5
125.02461	1.3
131.03510	1.9
133.02950	0.5
135.04530	0.7
143.03488	3.6
149.04605	1.8
155.03481	0.8
160.75662	0.4
161.02458	1.4
161.04552	10.4
161.05824	0.5
173.04524	0.8
177.01888	0.4
179.03487	0.5
179.04146	0.4
179.05630	3.4
185.91541	0.4
191.05609	3.0
203.05600	0.7
221.06747	1.0
289.72183	0.4
298.21387	0.4
339.05209	1.0
353.09012	0.5
409.79053	0.4
484.59848	0.4
497.24005	6.6
513.10492	2.2
514.10736	0.4
515.24945	10.9
516.26074	0.6
531.24786	0.6
533.26196	2.4
557.26007	9.0
575.26996	5.9
575.34796	0.5
591.19470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.80057	0.5
57.03439	0.9
59.01377	100.0
62.71702	0.5
70.26639	1.2
71.01379	19.9
72.99303	0.6
73.02944	11.2
83.01400	3.5
83.92833	0.5
85.02946	7.9
87.00899	1.5
89.02442	10.5
93.03458	1.1
94.53796	0.6
95.01424	1.8
97.02937	0.7
99.00880	0.5
101.02436	13.6
108.07407	0.5
111.04550	0.5
112.38723	0.5
113.02448	15.7
119.03499	4.3
121.50902	0.5
125.02491	1.4
131.03549	1.0
143.03564	3.0
143.04451	0.5
149.04543	2.1
161.02463	1.2
161.04567	7.8
166.81187	0.5
173.04578	0.8
179.05563	4.0
191.05637	2.9
198.90048	0.5
205.08871	0.7
221.06656	0.7
249.13478	1.5
339.05331	0.8
402.94092	0.5
478.98462	0.6
497.23846	7.1
513.10516	1.8
515.25012	16.5
516.25653	1.1
533.25787	3.2
557.26056	10.4
558.26605	0.9
575.27081	7.3
617.28284	0.8
705.19287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03436	0.5
58.65647	0.3
59.01377	100.0
59.72507	0.4
60.01712	0.7
67.39541	0.3
69.10641	0.8
69.11044	1.6
71.01379	19.3
71.90135	0.4
73.02943	9.6
73.67363	0.3
83.01373	2.3
85.02944	6.5
87.00898	1.3
89.02441	12.0
89.37691	0.4
93.03480	0.5
95.01413	1.5
97.02959	0.6
99.00907	1.2
101.02441	13.2
113.02449	18.1
119.03495	4.4
121.02981	1.6
125.02460	1.7
125.76118	0.5
127.59364	0.4
131.03535	1.4
135.04523	0.7
136.90036	0.4
143.03499	3.6
149.04532	2.0
161.02499	0.9
161.04547	10.2
161.05844	0.7
179.05609	3.8
191.05655	1.2
203.05710	0.8
221.06644	0.7
221.63716	0.4
237.03940	0.4
315.10986	0.4
367.96539	0.4
465.25534	0.4
477.15756	0.4
497.23779	6.3
498.24576	0.5
513.10675	0.8
515.24963	11.3
516.25726	1.1
533.25909	2.2
557.25964	8.1
558.26794	0.7
575.27063	6.3
575.34637	0.5
642.76520	0.5
728.12946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03449	2.6
57.95974	0.5
59.01377	100.0
61.98846	1.2
69.03462	0.8
71.01380	36.3
71.05004	0.7
72.99306	0.9
73.02945	11.8
75.00844	0.6
82.95434	0.8
83.01377	3.9
85.02945	15.0
87.00867	3.8
89.02441	15.5
93.03481	1.6
94.84438	0.6
95.01371	4.5
96.96039	1.4
97.02935	1.6
98.21828	1.1
99.00889	2.3
101.02441	16.9
101.03101	0.9
109.02962	1.0
111.04550	1.1
112.01684	1.3
113.02451	31.4
113.13094	0.6
115.04019	1.3
119.03507	5.3
123.04460	0.7
124.01679	4.1
125.02451	5.3
127.88165	0.6
129.44984	0.6
131.03564	1.2
135.04567	1.2
137.02510	0.7
139.04010	3.3
140.40833	0.5
143.03508	4.7
149.04565	0.8
151.00348	0.6
159.02997	1.3
161.04552	8.0
171.10353	0.8
173.04614	1.7
179.05670	1.9
179.10654	0.6
191.05591	8.4
205.12512	0.8
209.11713	0.8
225.11328	1.1
227.12871	0.7
299.01987	1.5
300.02716	1.0
335.17203	0.8
353.19934	1.2
369.14517	1.1
371.20612	1.1
449.21909	1.3
479.23001	1.5
497.23907	20.9
498.24658	0.8
515.24939	49.6
516.25189	3.3
533.25995	10.0
543.31488	1.2
557.26019	15.8
557.33936	0.9
558.26544	1.0
575.26965	14.5
576.28003	0.8
608.14221	0.7
617.28784	1.1
645.37256	0.6
705.20929	0.7
705.37366	1.8
722.46320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57705	3.0
59.01384	25.0
61.98836	21.6
63.47541	3.4
71.01359	9.6
81.03444	4.1
84.11436	3.2
85.52567	3.1
88.88705	3.2
89.02467	5.8
97.02955	7.0
101.02434	7.6
109.06588	29.7
125.09708	3.6
155.33510	3.2
157.84375	3.3
163.11253	14.8
181.12300	4.6
191.05594	4.8
201.93433	3.7
207.10257	72.4
209.11783	14.3
225.11295	52.2
226.11703	4.4
230.44794	3.5
235.08224	6.5
253.09224	10.5
263.13055	3.6
272.60727	3.5
340.24637	3.4
389.23499	3.3
397.20026	11.3
412.86145	3.7
415.21127	11.6
461.20215	22.2
508.04462	4.1
593.91199	3.8
607.27234	17.3
623.30505	4.7
625.28564	45.9
633.29022	23.0
651.30212	100.0
652.30524	7.2
653.09656	3.9
669.31207	68.1
705.28705	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74841	4.9
51.44394	5.1
58.00706	5.2
59.01368	24.8
61.98824	100.0
71.01372	9.5
81.07003	5.0
82.89091	4.6
85.02998	6.7
88.98807	17.7
89.02466	11.6
93.03448	12.9
96.95969	5.3
101.02474	6.1
109.06628	9.4
111.04435	5.8
113.02489	5.3
136.04004	5.1
137.02374	6.0
141.93013	5.0
144.76912	5.0
163.03999	5.6
171.10187	8.7
175.89740	5.4
191.05582	11.0
197.11700	8.0
207.10300	37.6
209.11784	49.5
213.82985	5.3
225.11290	30.8
227.13042	7.3
253.09238	8.8
371.22235	5.8
389.23199	9.5
407.23813	6.3
461.20349	12.0
607.30505	9.6
625.30408	8.6
651.30127	37.8
669.31250	52.6
705.27692	27.1
708.70740	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	705.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37333	0.9
59.01370	3.2
61.98830	100.0
65.34435	0.9
70.17822	2.3
71.01377	2.9
98.22511	1.3
117.03466	1.2
119.05018	3.1
119.92412	0.9
120.45133	1.2
145.02940	2.4
163.04007	1.9
171.10278	1.7
191.05627	1.4
197.11832	2.2
207.10414	1.4
209.11819	24.4
223.13390	22.0
225.11264	1.8
227.12904	6.9
253.09294	2.3
269.28094	1.0
445.20923	1.8
459.22217	5.7
550.17688	1.1
651.33441	2.1
667.21765	2.8
669.35126	1.8
705.32593	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	705.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.2
59.01376	16.8
61.98816	2.7
69.03443	6.2
69.24928	4.4
71.01381	13.2
71.05006	2.4
73.02932	3.7
79.95741	1.2
80.02656	2.3
81.03448	1.5
83.01366	1.8
83.05011	4.9
85.02943	4.7
87.00855	5.1
89.02451	7.4
93.03452	2.4
95.01445	1.2
95.05033	5.4
96.96010	45.2
97.02916	2.6
97.06576	1.5
99.00869	1.6
99.92616	1.0
101.02454	9.8
111.60835	1.2
113.02470	6.7
114.93392	2.2
116.92863	3.5
119.03520	2.8
123.08173	1.5
125.09708	5.9
127.11269	3.5
135.04483	1.8
139.04010	42.1
144.30426	1.3
151.11295	5.4
153.12807	1.5
155.10780	2.0
159.03009	2.0
161.04558	3.4
161.09749	5.5
163.03955	1.3
163.11272	4.1
165.12816	1.5
171.10222	3.6
173.04498	2.6
173.94859	1.2
179.05571	1.5
179.10760	11.1
191.05641	7.8
197.11821	100.0
198.12192	2.1
199.09685	1.9
201.11314	44.1
207.10249	2.1
209.11824	72.3
210.11957	1.3
225.11328	1.9
227.12833	6.5
235.08209	1.2
237.80989	1.1
241.10780	7.3
253.09270	6.5
308.66971	1.2
477.19608	3.1
521.33118	4.5
592.23669	1.6
640.29456	1.4
661.30798	21.4
687.32281	66.4
688.32422	5.5
705.33405	73.8
706.33948	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	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56681	0.2
59.01371	2.4
67.99693	0.2
68.59810	0.2
71.01385	1.3
73.02935	0.5
80.02673	1.3
81.03452	0.9
83.01381	0.4
83.05025	4.5
84.02160	0.7
85.02940	0.5
87.00864	0.3
89.02437	1.5
95.01392	0.3
95.05031	0.6
97.06574	0.3
98.22634	0.8
101.02429	1.4
109.21374	0.3
113.02434	0.8
119.03521	0.4
125.06142	0.3
135.08174	0.3
161.04585	0.8
163.11296	3.6
165.12834	2.2
171.10213	0.8
179.05692	0.3
181.12364	0.6
182.01672	0.3
191.10803	0.9
205.57454	0.3
209.11824	100.0
210.12175	4.4
227.12877	14.7
228.13194	0.7
235.08197	1.7
253.09291	6.5
265.14355	0.3
321.40378	0.2
445.20752	1.7
446.21173	0.2
463.21777	0.3
542.94318	0.3
637.32281	0.7
723.84680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79706	0.2
61.53905	0.2
61.98826	100.0
70.79034	0.1
71.01374	0.3
92.02669	0.2
93.03467	2.7
109.68667	0.1
110.61867	0.1
112.37258	0.1
116.58590	0.1
136.01697	0.3
137.02435	5.7
147.50568	0.1
151.04086	0.3
156.14816	0.1
161.68694	0.1
175.04027	0.2
207.10286	0.2
209.11859	0.4
253.09200	0.2
294.58548	0.1
486.39352	0.1
505.14987	3.7
506.15976	0.2
606.10889	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26249	0.2
59.01380	0.8
61.98827	100.0
71.01383	0.5
73.09991	0.2
83.05026	0.3
87.00883	0.3
89.02439	0.3
93.03466	0.4
101.02412	0.3
102.60522	0.2
109.82935	0.2
113.02500	0.2
135.04562	0.2
137.02480	0.2
163.11346	0.2
173.04587	0.6
183.13998	0.3
184.14215	0.3
191.05682	0.8
197.11867	0.2
207.10277	0.3
209.11841	1.8
210.12218	0.7
225.11388	0.5
227.12971	0.3
253.09280	0.2
275.09186	0.2
427.37296	0.2
449.14642	0.4
582.03217	0.2
674.35193	0.7
706.37195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98827	100.0
70.45017	0.5
112.51588	0.2
191.05696	0.3
481.27847	0.3
482.28665	0.6
483.28961	0.6
484.29327	0.6
509.35660	0.3
588.83044	0.3
706.33929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
66.24870	0.1
67.01895	0.3
69.65093	0.5
71.01370	0.5
73.02949	0.2
85.02940	5.6
87.00871	1.2
93.03446	2.5
98.42311	0.1
99.04503	0.2
109.02924	0.6
111.04493	0.9
127.04008	1.6
133.02983	0.8
135.04471	0.7
155.03532	0.2
161.02411	1.9
171.03001	0.4
173.04530	1.1
179.03551	0.6
191.05595	100.0
192.05934	2.2
262.22034	0.2
288.21252	0.1
329.25815	0.1
353.08734	12.0
354.09048	0.7
419.05301	0.2
463.61642	0.1
648.63000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.3
58.02970	6.7
59.01377	20.9
68.48396	0.3
69.83166	0.3
70.02978	5.4
71.01386	2.8
71.05760	0.5
72.00910	1.6
72.04550	1.1
73.02937	2.6
74.02471	38.4
74.39931	0.3
83.01371	0.7
85.02954	1.0
89.02450	1.9
90.98512	0.3
96.96024	0.7
98.02477	8.1
101.02435	2.9
113.02478	2.1
116.03544	11.3
116.05054	13.0
119.03507	0.6
121.03043	0.3
130.06618	1.5
131.03511	0.3
139.07681	0.3
140.20146	0.3
142.06612	3.7
143.03461	0.5
156.08118	0.4
159.09264	3.4
161.04544	0.9
178.99545	0.4
179.05516	0.7
183.09283	0.6
186.05624	0.7
191.05635	0.8
201.10286	3.3
203.08257	37.8
204.08565	1.2
245.09300	100.0
246.09715	2.3
289.08212	0.8
373.18515	0.6
499.25418	0.9
517.26575	2.5
535.27753	0.5
559.27325	1.7
577.28680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03456	0.8
59.01377	100.0
60.01726	0.6
63.01326	0.5
65.16996	0.6
70.95940	0.5
71.01381	18.6
72.99334	0.7
73.02942	20.4
81.03453	0.5
83.01387	3.9
85.02953	5.3
87.00881	1.2
89.02444	11.4
89.64682	0.5
94.57475	0.4
95.01398	1.3
97.02976	1.3
99.00883	0.7
101.02443	15.4
107.05032	0.6
113.02443	15.5
115.04015	0.6
119.03506	4.4
125.02457	1.8
131.03535	1.4
143.03491	2.9
149.04572	2.3
155.03522	0.8
161.04529	6.3
179.05580	2.2
221.06808	0.7
292.37680	0.5
332.37485	0.5
355.21182	0.7
499.25476	11.2
500.25760	0.9
517.26483	21.5
518.26929	2.6
535.27838	4.4
559.27625	13.0
560.28162	1.1
577.28693	12.9
578.29205	1.4
619.30170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72966	4.3
58.89991	3.6
59.01372	22.0
61.98829	100.0
71.01378	19.6
73.31456	3.5
93.03471	9.6
96.96023	4.5
97.02964	5.8
98.22680	9.5
109.06582	16.6
110.42917	4.0
111.04462	4.4
113.02451	6.2
118.86762	4.0
133.02943	4.8
137.02423	4.4
163.11218	8.5
171.10229	6.6
173.04550	7.2
187.07661	7.6
191.05647	16.3
201.11345	11.5
207.10255	35.3
209.11844	44.5
225.11240	35.9
227.12894	16.4
231.10367	4.4
235.08139	6.7
253.09268	12.5
257.08185	4.3
275.09198	11.0
399.21536	5.7
427.98602	5.4
449.14548	8.7
461.20239	10.5
467.88351	4.4
635.30646	16.8
651.30328	6.0
653.31860	32.2
669.31134	6.6
671.32593	31.3
707.29913	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	707.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32797	0.3
55.01870	0.5
57.03439	0.7
58.26501	0.3
59.01377	100.0
60.01712	0.5
61.95940	0.3
67.30648	0.3
69.51648	1.5
69.51993	0.4
71.01373	6.6
71.01738	0.5
73.02942	3.1
83.01393	1.9
85.02946	4.8
87.00864	0.6
89.02467	1.4
95.01366	0.6
97.02949	0.3
98.22591	0.5
99.00912	1.2
101.02441	9.8
101.03098	0.6
113.02436	3.8
119.03527	0.6
122.64351	0.3
138.06885	0.6
143.03511	0.8
152.08464	0.7
153.09221	2.7
159.03006	0.7
161.04565	5.1
205.12384	1.1
223.13417	1.0
235.11842	18.8
236.12367	0.4
275.60947	0.4
277.12918	13.7
278.13312	0.5
321.12579	0.4
321.16196	0.3
385.18759	2.8
440.36484	0.4
614.52600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32714	0.7
59.01377	20.5
59.16519	0.7
61.98830	6.8
64.59742	0.7
67.01907	1.1
69.03441	1.7
71.01380	52.0
73.02946	4.5
80.02644	1.2
81.03456	2.2
83.01389	1.4
83.04559	1.1
83.05015	6.6
84.02190	1.4
85.02941	4.6
87.00875	2.8
88.98788	2.2
89.02451	9.4
93.03448	2.1
95.05041	2.1
97.02937	2.3
98.21861	1.7
99.00876	1.4
101.02444	6.7
109.06588	4.8
111.00888	0.9
111.04507	1.1
111.08186	1.2
113.02438	5.2
116.92870	1.4
119.03487	2.0
123.08181	1.1
125.02434	2.0
125.06081	1.3
125.09708	2.4
127.11315	2.6
135.04539	1.3
135.08192	2.5
137.02443	1.0
137.09683	1.7
139.04007	3.4
139.07635	0.9
143.03506	2.3
153.09262	1.5
155.10777	1.9
161.04544	3.9
163.11272	7.4
165.12868	3.5
171.10262	53.8
172.10663	1.8
173.04549	2.7
179.10725	1.3
181.12358	3.0
185.11798	9.6
191.05591	8.8
191.10725	1.0
197.11908	1.7
199.09752	6.9
199.13286	1.7
201.11310	26.6
202.52361	0.8
203.86201	0.8
207.10248	13.3
208.10623	1.0
209.11818	100.0
210.12161	6.8
225.11307	19.4
227.12883	13.3
228.13243	1.0
235.08167	4.1
243.12286	1.8
253.09276	12.4
254.09650	1.0
309.20737	5.8
397.13339	1.8
399.21725	0.9
407.19205	0.9
415.14685	1.5
437.19904	1.0
443.18832	1.2
461.20221	3.1
479.21548	1.4
635.31042	1.0
645.31146	1.0
653.31702	2.4
671.33368	2.9
675.32306	10.8
689.33826	3.0
707.35553	7.4
708.34625	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	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64948	1.6
55.01879	2.5
56.65487	1.5
57.03442	3.9
58.00588	2.0
59.01378	44.2
61.98830	14.8
62.30368	1.7
69.03457	2.2
71.01377	21.7
71.05001	6.9
73.02944	6.1
81.03447	2.0
83.01365	2.6
83.05013	6.8
85.02944	6.7
85.95380	1.5
87.00850	5.1
89.02441	9.8
93.03441	4.7
95.01402	2.3
95.05017	1.9
96.95991	11.4
97.02944	4.4
97.06594	5.0
99.00875	36.3
101.02446	16.2
109.02958	1.8
109.06581	4.3
111.04507	2.5
112.30792	1.9
113.02447	10.4
115.04002	3.1
116.92856	4.2
119.03506	4.2
119.05013	1.9
121.03030	1.9
123.08099	3.7
125.02440	5.4
125.09728	16.3
127.11280	7.0
135.04512	3.1
135.08139	2.5
139.03989	6.1
140.04289	2.2
143.03539	3.3
155.10825	3.8
161.04559	4.7
161.09752	1.9
163.11288	22.4
165.12852	2.2
166.05070	1.5
171.10262	29.2
173.04544	6.4
177.01927	1.9
179.03560	2.0
179.07164	2.2
181.12355	32.7
182.12691	2.5
191.05650	17.8
192.05954	2.0
197.11842	2.0
199.09740	4.9
199.13388	21.7
201.11304	60.6
202.11618	2.7
207.10269	53.3
208.10674	2.9
209.11824	73.1
210.12141	3.5
225.11327	84.5
226.11696	3.6
227.12866	5.8
235.08150	2.2
243.12375	39.0
244.12622	1.7
253.09270	10.9
257.08374	2.1
317.16025	2.4
335.22403	2.3
461.20151	6.9
479.21432	6.7
509.34860	2.2
622.45044	1.8
627.30792	2.4
645.31189	2.9
663.32294	57.3
664.32910	6.8
671.31873	2.1
689.33844	100.0
690.34125	12.5
707.35205	73.7
708.23810	1.9
708.35364	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	708.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32298	0.6
57.03437	1.2
62.03681	0.6
66.03492	0.6
69.03443	1.0
69.96428	1.6
71.05013	1.4
73.02959	3.1
80.89558	0.6
83.05035	1.3
85.02965	1.1
85.06622	0.6
87.04485	0.7
93.03469	0.6
95.05026	1.2
96.96009	12.9
97.02946	1.7
97.06609	0.6
98.03725	0.6
98.95617	1.2
99.04535	0.7
109.02943	1.4
109.06577	0.8
111.04549	1.3
115.04011	7.2
119.08671	1.6
121.06586	0.8
122.09751	1.5
125.02428	0.8
137.02452	2.7
137.06091	8.1
147.11876	0.7
148.07674	1.1
151.07613	0.7
163.07645	1.7
166.08754	2.0
175.11365	0.8
176.10800	0.7
184.09781	4.9
186.11438	0.9
188.10852	0.6
191.05618	2.3
194.11815	0.6
280.20370	0.6
286.18079	1.2
303.08673	3.0
304.18790	0.6
330.17056	1.0
342.20798	1.3
386.19693	3.9
404.20752	100.0
405.21188	5.3
610.16095	0.7
708.32928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15172	0.9
55.01888	1.3
58.02974	3.0
59.01379	14.4
69.86434	1.0
73.02927	1.3
74.02467	8.1
75.90833	1.2
80.05083	1.6
81.03494	1.1
82.02973	1.7
83.01382	2.3
89.52974	1.1
96.00880	1.8
96.04559	13.6
97.04073	5.6
98.02477	5.7
99.05623	3.6
100.00396	4.6
101.02416	1.2
108.03300	1.4
108.04556	7.6
110.02470	4.6
111.02006	1.6
112.04027	5.2
112.07679	6.8
113.03543	1.4
115.90092	1.0
116.92897	1.2
121.02966	1.3
122.03698	2.9
122.04774	1.1
122.06115	5.5
124.04041	6.3
125.03560	16.5
126.05601	3.1
127.05119	3.6
134.02409	1.5
137.07225	8.3
138.01451	6.8
138.05582	3.8
139.05151	8.3
140.01891	1.0
140.07141	1.9
143.04648	2.6
147.05647	5.7
150.03201	2.2
151.04015	2.3
151.05121	3.6
152.03548	10.4
152.04701	1.7
154.00850	1.4
155.01694	4.0
155.08247	6.1
156.03052	2.0
160.00716	1.2
163.05124	4.7
164.13200	1.1
165.06691	21.6
166.05069	1.7
167.04683	1.3
178.01430	4.5
179.04630	3.1
179.10773	11.6
181.06221	11.5
182.00444	3.6
183.01216	30.3
183.07651	1.8
191.04526	6.0
193.05016	2.9
196.02466	4.2
199.07301	2.1
209.05656	12.4
213.09236	6.5
223.09514	1.9
225.05142	35.0
227.06718	4.4
229.06902	10.6
239.07127	2.2
240.07875	1.6
241.06381	2.0
241.08714	29.6
242.09286	2.5
242.21280	1.1
243.10173	4.6
253.04652	100.0
254.05017	2.2
257.06363	6.5
271.05704	91.6
272.06067	2.2
273.05872	8.6
274.06711	50.7
275.07193	4.1
283.11963	3.7
305.04587	1.6
424.98627	1.1
437.12726	28.9
438.12878	1.8
647.19031	2.7
677.53143	1.1
709.19159	51.2
710.19922	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	3.3
59.01380	14.1
62.57727	1.0
66.18236	1.1
69.10548	4.4
69.10949	3.3
71.01344	1.6
71.48573	1.0
73.47321	1.2
74.02467	7.5
74.99081	2.1
82.02980	2.7
84.00922	2.4
86.16525	1.3
96.04562	10.1
97.04085	6.2
98.02480	4.8
99.00886	1.6
99.05626	6.3
100.00394	3.8
105.99669	2.9
107.03751	1.3
108.03313	1.3
108.04562	7.6
109.04023	1.3
110.02473	5.3
111.01990	2.5
112.04044	5.4
112.07643	5.9
113.03584	1.5
116.92823	2.0
120.59677	1.1
122.03709	3.1
122.06081	3.9
124.04044	8.3
125.03571	16.2
126.05563	3.1
127.05157	2.0
134.02518	1.5
137.07191	9.4
138.01437	6.9
138.05589	4.8
139.05107	9.8
140.07158	1.9
143.04596	4.6
147.05629	8.6
150.01990	1.2
150.03215	2.9
151.04004	2.5
151.05118	3.7
152.03560	10.9
152.04704	2.0
154.00894	1.5
155.01707	5.0
155.08270	7.8
163.05168	4.3
165.05339	1.4
165.06694	25.7
166.05038	1.7
167.04604	2.4
173.04581	1.2
178.01476	4.5
179.04610	3.5
179.10773	11.0
181.06166	12.7
182.00443	4.4
183.01222	28.0
191.04475	6.3
193.05025	4.0
196.02469	3.8
199.07213	1.9
209.05690	11.1
211.07727	1.4
213.09216	6.3
225.05180	38.3
226.05696	1.2
227.06659	4.9
227.26407	1.2
229.06894	8.4
241.08682	33.5
242.09111	2.3
243.10213	3.8
253.04654	99.5
254.04953	3.1
257.06384	8.6
271.05719	100.0
272.06207	3.0
273.05838	7.5
274.06696	54.5
275.07040	3.6
283.11993	2.7
304.81912	1.3
305.04443	1.2
354.49799	1.2
397.88181	1.2
437.12692	29.1
438.12918	1.7
511.31494	1.3
560.43591	1.6
647.19257	1.6
691.18201	2.3
709.19208	46.9
710.19635	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	709.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01372	1.4
67.01872	0.5
67.91296	0.2
68.99785	0.1
69.57835	0.6
71.01384	0.9
73.02918	0.2
73.67840	0.1
75.00848	0.5
79.95966	0.1
83.04971	0.2
83.37605	0.1
85.02940	5.7
85.69818	0.1
87.00871	1.2
93.03452	3.1
95.01403	0.2
99.00864	0.4
99.04518	0.2
103.07799	0.2
109.02934	0.6
111.04502	0.8
113.02441	0.8
116.92839	0.9
117.01962	0.2
117.03474	0.2
119.05025	0.7
121.02958	3.1
125.02412	0.2
127.04003	1.6
137.02446	0.2
145.02934	0.7
163.03967	1.0
171.02982	0.5
173.04549	1.6
175.02751	0.4
176.03473	0.7
191.05595	100.0
192.05946	2.4
231.05190	0.2
240.29079	0.2
249.06116	2.2
337.09259	26.7
338.09378	2.0
371.05280	0.3
371.09793	4.3
372.10199	0.4
406.22375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01372	1.4
67.01872	0.5
67.91296	0.2
68.99785	0.1
69.57835	0.6
71.01384	0.9
73.02918	0.2
73.67840	0.1
75.00848	0.5
79.95966	0.1
83.04971	0.2
83.37605	0.1
85.02940	5.7
85.69818	0.1
87.00871	1.2
93.03452	3.1
95.01403	0.2
99.00864	0.4
99.04518	0.2
103.07799	0.2
109.02934	0.6
111.04502	0.8
113.02441	0.8
116.92839	0.9
117.01962	0.2
117.03474	0.2
119.05025	0.7
121.02958	3.1
125.02412	0.2
127.04003	1.6
137.02446	0.2
145.02934	0.7
163.03967	1.0
171.02982	0.5
173.04549	1.6
175.02751	0.4
176.03473	0.7
191.05595	100.0
192.05946	2.4
231.05190	0.2
240.29079	0.2
249.06116	2.2
337.09259	26.7
338.09378	2.0
371.05280	0.3
371.09793	4.3
372.10199	0.4
406.22375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
69.03459	2.6
69.29358	2.1
71.01375	3.7
73.02943	0.9
83.01380	0.9
83.57227	0.4
85.02953	1.6
87.04544	0.3
89.02435	1.1
93.03459	0.8
95.01354	0.6
95.33199	0.4
98.22655	0.5
99.00856	0.5
101.02456	2.3
107.05024	0.6
109.22099	0.4
111.00881	1.1
113.02444	11.8
115.04013	0.6
119.04996	0.7
123.00857	1.1
124.01648	1.8
125.02426	0.4
127.00371	0.7
127.04027	1.5
131.03479	1.0
133.02959	0.7
135.04500	1.3
137.02437	1.1
138.03226	3.9
139.00372	4.4
139.03999	3.5
144.53838	0.4
145.02965	0.7
147.04515	0.6
151.00380	1.4
152.01115	0.8
153.01942	1.3
153.05589	0.9
155.31715	0.4
159.03015	0.6
159.04494	0.6
161.02504	0.6
161.04550	3.2
162.03197	1.4
162.04439	0.4
163.04015	1.8
166.02684	2.8
167.03552	0.7
173.04568	0.6
174.03224	0.6
175.04016	1.3
176.01131	0.9
177.01999	0.7
177.05629	2.0
178.02730	1.1
179.03482	0.6
179.05557	0.4
181.05038	1.8
189.01938	1.3
189.05565	0.6
190.02725	0.8
191.03746	0.7
191.05606	3.1
192.04268	0.5
192.07912	0.6
193.04973	1.4
203.03439	2.1
204.04237	1.6
205.05040	0.9
206.95027	0.5
218.05867	2.3
219.06570	0.8
255.06778	0.6
256.07233	0.6
270.08972	5.7
271.02292	1.1
271.06650	0.3
271.09698	2.3
272.08890	1.3
275.07755	0.7
300.02768	1.6
301.03357	0.9
308.06799	0.4
315.08698	0.7
323.05399	0.4
339.08633	0.8
343.08240	2.7
355.08078	1.6
358.10550	9.3
359.11133	0.5
370.10562	1.5
372.12494	0.4
373.12912	28.1
374.13211	0.9
385.12891	1.5
403.09576	2.9
403.14139	1.7
404.20731	0.6
415.13986	0.5
418.12634	6.5
419.13235	0.6
433.15009	100.0
434.15353	4.4
445.15338	0.6
463.08966	3.2
581.23004	0.4
595.20612	0.8
595.29602	1.6
709.23755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73941	1.1
52.99267	1.2
59.01369	6.3
61.98814	4.5
69.25898	6.9
71.01363	2.5
83.05035	1.9
86.95827	1.2
89.02433	1.9
101.02449	2.2
113.02419	1.9
157.81400	1.2
163.11220	2.6
165.12776	1.8
171.10269	17.1
191.05574	2.3
207.10452	1.2
209.11819	100.0
210.12207	2.7
227.12875	26.9
235.08197	3.1
253.09312	6.6
311.22565	1.3
341.33548	1.5
445.20764	9.9
446.21011	1.8
463.21716	3.0
626.00427	1.5
629.31287	1.6
637.32166	3.6
655.32959	3.6
686.24664	1.4
688.63214	1.4
709.32001	28.5
710.32159	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	709.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68985	3.4
59.01370	10.1
61.24659	2.8
61.98831	24.1
69.13556	15.2
69.13963	4.5
71.01370	5.1
74.43250	3.2
85.04683	2.8
86.21677	2.9
98.21796	6.0
101.02456	4.2
111.18887	2.9
160.84283	3.9
161.97568	2.9
173.04666	4.3
197.11797	6.9
201.11325	17.0
207.10258	5.9
209.11830	100.0
210.12129	6.4
211.13402	4.8
225.11417	8.4
227.12871	11.6
235.08234	11.4
253.09235	8.9
268.28708	3.4
396.78323	3.4
445.21005	16.4
505.27539	4.2
623.31268	7.6
623.70386	3.3
629.32404	4.1
641.32172	9.7
704.65948	3.0
709.32330	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03448	0.5
57.47729	0.4
59.01377	100.0
59.68319	0.4
60.01710	1.6
69.34334	1.9
71.01373	6.4
73.02938	3.7
73.48563	0.4
79.04915	0.4
83.01403	1.6
85.02946	4.4
85.78262	0.4
89.02450	1.0
91.80764	0.4
99.00890	1.1
101.02439	9.8
101.07261	0.4
113.02460	3.5
136.84708	0.4
159.03000	0.9
159.77002	0.4
161.04567	3.8
201.98210	0.4
215.93022	0.4
227.51202	0.4
235.11858	19.3
236.12299	1.3
265.42587	0.4
277.12891	11.1
277.15790	0.6
278.13345	0.7
387.20016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00565	0.5
59.01374	6.4
61.98822	1.1
67.01866	0.5
69.03455	0.7
70.12176	0.9
70.12505	0.6
71.01383	4.0
72.29731	0.4
72.64009	0.4
73.02941	1.4
77.97517	0.4
80.02666	0.7
81.03459	1.1
83.01431	0.8
83.05027	3.8
84.02170	0.6
85.02947	1.2
87.00865	1.9
89.02446	3.6
93.03453	5.2
95.01393	0.7
96.96001	2.0
97.06581	0.5
101.02429	3.1
111.04533	0.8
113.02457	2.3
119.03456	1.1
125.09716	2.0
127.04008	1.2
127.11300	3.1
134.03709	2.3
135.04556	1.3
135.08177	0.5
136.01671	1.0
137.09647	0.7
139.03952	0.5
139.11201	0.5
143.03548	0.5
149.06075	1.5
151.04041	1.1
155.10782	1.3
161.04579	1.5
163.11295	2.4
165.09186	1.1
165.12811	2.2
171.10233	1.9
173.04503	2.3
179.03442	0.8
179.05664	0.9
183.10228	0.6
191.05624	1.8
191.10820	0.5
196.80409	0.5
199.09709	1.1
201.11316	53.9
202.11674	1.7
209.11819	100.0
210.12189	2.8
227.12904	13.4
235.08224	4.2
238.98877	0.5
253.09283	14.0
356.18680	0.5
367.21133	0.6
375.21490	1.1
393.22772	1.5
404.20752	0.9
419.18768	0.5
433.15076	1.0
437.20313	4.6
445.20819	6.9
445.26544	0.8
446.21072	0.5
481.16885	4.0
481.22778	0.8
482.17554	0.6
611.30096	1.0
621.31458	1.5
629.31848	1.3
637.32123	0.6
709.39093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
58.70462	1.3
59.01376	10.3
59.47570	1.3
61.98825	1.4
65.57230	1.0
71.01379	4.6
78.95894	5.2
85.02956	2.3
89.02419	3.7
95.05018	1.3
97.06648	2.4
101.02423	4.9
113.02464	2.6
115.95317	1.1
151.11298	15.1
152.99567	4.3
161.04576	1.3
169.12332	100.0
170.12680	3.4
171.10170	1.8
176.14809	1.3
195.10234	2.7
201.11313	7.0
209.11832	7.2
213.11273	11.5
235.08118	1.8
253.09222	3.3
256.95697	1.2
277.21719	22.9
330.82736	1.4
431.18756	2.3
449.20276	7.8
473.17651	2.7
709.41418	93.5
710.41650	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	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26976	1.3
57.03436	1.9
59.01380	6.8
61.98813	2.0
68.31935	1.4
71.01372	3.0
71.41831	1.4
73.02933	1.5
78.95891	6.7
83.05006	1.5
85.02939	2.1
87.00877	2.1
89.02435	2.8
94.16872	1.3
97.06578	6.7
101.02442	5.1
113.02430	2.9
122.27590	1.3
125.09716	2.3
149.07076	1.2
151.11261	16.0
152.99579	8.4
154.67876	1.3
160.32733	1.6
161.04567	2.3
169.12326	49.5
170.12730	1.4
171.00700	1.4
171.10309	2.8
195.10223	3.4
201.11288	11.2
209.11832	10.5
209.91676	1.3
213.11308	6.2
235.08311	1.9
237.63982	1.2
253.09286	3.2
253.21667	1.8
277.21713	52.9
278.22064	2.9
431.19412	1.7
449.20084	2.8
455.99417	1.5
473.17975	5.1
709.41425	100.0
710.41498	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	710.412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63278	1.8
59.01377	4.4
61.98821	3.4
98.22646	4.1
124.44548	2.1
171.10266	97.4
209.11864	2.2
235.08231	4.3
240.85359	1.9
253.09279	8.9
255.23322	4.0
277.21725	100.0
278.22000	6.1
310.16055	2.2
359.59851	2.2
468.21478	2.3
710.40558	3.7
711.38202	11.7
711.50012	2.1
742.63708	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	710.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45950	1.2
52.67372	1.0
55.82489	1.2
59.01382	2.5
63.32607	1.1
73.00237	1.2
78.95893	2.4
89.02448	1.2
98.22678	3.5
101.02425	1.9
103.05789	1.2
118.67854	1.0
132.84993	1.0
152.53741	1.2
152.99580	2.2
171.10262	100.0
172.10568	1.7
201.11255	1.6
209.11829	3.3
253.09224	6.1
255.22957	1.3
277.21707	55.7
278.22009	3.0
407.19189	4.5
504.18262	1.1
519.46552	1.1
595.27765	1.1
630.79474	1.1
710.40497	6.8
711.39355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03450	0.4
59.01378	100.0
60.01711	0.7
65.17142	0.2
69.03450	0.3
69.42780	0.9
71.01378	8.7
73.02950	3.7
74.02476	0.5
83.01377	1.3
85.02950	4.6
87.00894	0.4
89.02432	1.5
95.01412	0.4
96.96043	0.5
97.02985	0.3
99.00908	1.4
101.02444	8.0
107.01425	0.4
113.02448	3.9
116.92932	0.4
121.02974	0.7
125.02395	0.5
128.77179	0.2
131.03505	0.3
131.32851	0.2
138.73570	0.3
139.68001	0.3
143.03525	0.6
149.04604	0.5
151.00380	1.7
159.03043	0.8
161.04547	4.7
161.05827	0.3
178.99890	0.9
180.35626	0.3
191.05658	0.7
195.06801	0.3
197.58852	0.3
200.72414	0.2
203.40480	0.2
245.09399	1.1
255.03128	1.1
269.10291	11.7
270.10806	0.4
271.02457	2.6
300.02753	5.9
301.03510	7.5
301.06641	0.6
302.03952	0.5
311.11331	6.8
311.14627	0.5
331.67505	0.3
463.08679	1.4
505.09882	7.7
506.10605	0.8
566.42975	0.3
607.26465	0.6
625.27808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03450	0.4
59.01378	100.0
60.01711	0.7
65.17142	0.2
69.03450	0.3
69.42780	0.9
71.01378	8.7
73.02950	3.7
74.02476	0.5
83.01377	1.3
85.02950	4.6
87.00894	0.4
89.02432	1.5
95.01412	0.4
96.96043	0.5
97.02985	0.3
99.00908	1.4
101.02444	8.0
107.01425	0.4
113.02448	3.9
116.92932	0.4
121.02974	0.7
125.02395	0.5
128.77179	0.2
131.03505	0.3
131.32851	0.2
138.73570	0.3
139.68001	0.3
143.03525	0.6
149.04604	0.5
151.00380	1.7
159.03043	0.8
161.04547	4.7
161.05827	0.3
178.99890	0.9
180.35626	0.3
191.05658	0.7
195.06801	0.3
197.58852	0.3
200.72414	0.2
203.40480	0.2
245.09399	1.1
255.03128	1.1
269.10291	11.7
270.10806	0.4
271.02457	2.6
300.02753	5.9
301.03510	7.5
301.06641	0.6
302.03952	0.5
311.11331	6.8
311.14627	0.5
331.67505	0.3
463.08679	1.4
505.09882	7.7
506.10605	0.8
566.42975	0.3
607.26465	0.6
625.27808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61039	1.5
55.01880	3.7
57.03450	3.4
59.01377	63.4
59.57121	1.3
60.01701	1.7
64.11810	1.3
69.03445	2.7
69.10083	5.8
71.01379	70.0
72.99324	1.9
73.02943	26.0
74.67558	1.2
80.91696	1.7
81.03471	2.3
81.55416	1.4
83.01385	12.7
85.02952	28.0
87.00861	8.4
89.02447	42.1
93.03458	3.1
95.01357	4.4
96.95999	3.9
97.02940	12.9
99.00872	14.2
101.02441	61.4
101.89085	1.2
113.02448	35.5
115.04005	4.1
119.03505	14.2
121.02957	3.9
121.52650	1.3
122.92817	1.4
123.00869	2.5
125.02440	8.4
128.03560	2.0
128.90163	2.6
129.01950	3.0
131.03456	4.5
136.01668	5.0
137.02437	2.7
137.06035	1.9
138.03163	1.7
143.03508	20.3
149.04497	2.5
151.04016	4.5
159.02940	3.0
161.04552	61.1
162.04918	1.9
166.02687	5.8
173.04475	3.0
174.36595	1.4
179.05602	20.6
181.05083	5.0
181.10196	4.9
191.05634	4.3
195.06635	1.9
204.68932	1.4
221.06639	11.7
225.09198	77.6
226.09593	4.1
245.06602	6.4
263.07724	10.8
269.79547	1.5
272.08792	1.7
298.13150	1.2
301.10773	1.2
301.14288	2.5
323.09814	100.0
324.10110	5.6
327.74655	1.4
387.14481	6.1
520.58960	1.6
529.81989	1.3
549.19635	18.3
711.23193	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	711.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
57.63717	0.6
58.00592	0.7
59.01378	64.1
60.01696	0.8
61.98825	3.8
65.32905	0.6
69.03450	1.0
71.01379	31.6
72.99306	1.8
73.02950	1.7
83.01368	1.5
85.02943	7.7
87.00877	2.4
89.02444	36.4
90.00625	0.6
93.03468	2.1
95.01382	1.8
96.95974	1.0
101.02442	18.3
107.05029	9.0
108.26933	0.6
113.02454	16.8
116.92844	1.4
119.03506	16.1
121.02943	3.8
122.03714	0.7
125.02430	0.9
127.04018	1.8
128.55580	0.6
131.03511	1.5
131.48105	0.6
132.93964	0.6
135.04495	1.0
137.02406	0.8
139.04016	1.2
143.03491	1.9
149.04570	1.0
150.03239	3.8
151.03993	0.7
161.02435	0.8
161.04596	3.7
163.04074	0.6
165.05495	3.4
173.04579	1.5
177.01962	1.2
179.05588	7.6
187.11264	0.8
191.05597	2.6
195.06668	2.1
201.11354	5.4
202.11682	2.7
209.11821	8.2
210.12157	4.7
211.12381	1.4
225.05534	2.1
227.12888	1.0
239.07111	1.8
240.07896	1.2
253.09354	1.2
254.09459	0.9
255.10263	19.2
272.10449	1.9
273.11316	11.2
323.09888	0.7
405.21198	1.1
435.16562	100.0
436.16946	8.3
493.32388	1.2
535.30457	0.9
597.21826	3.7
667.26471	0.8
700.40021	0.7
711.40240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43629	0.3
58.97153	0.2
59.01078	0.4
59.01376	6.2
61.98803	0.6
69.03435	0.9
71.01377	4.4
73.02936	0.7
78.86900	0.3
81.03481	0.3
83.01380	0.4
85.02956	0.9
87.00881	0.6
88.08817	0.3
89.02438	5.3
95.01355	0.3
98.22626	0.6
98.71346	0.3
101.02446	2.6
106.04235	0.7
107.05026	100.0
108.05370	2.5
111.00887	0.3
113.02442	3.2
119.03498	2.6
125.02455	1.7
127.03983	0.4
129.34039	0.2
131.03513	0.4
135.04509	0.2
139.04033	0.3
143.03485	1.0
148.04219	0.3
161.04552	1.0
176.19925	0.3
179.05623	1.9
191.05644	0.5
221.06674	1.4
225.05579	0.9
239.07137	0.7
240.07948	0.4
255.10269	6.0
256.10706	0.5
263.07663	0.6
273.11307	58.9
274.11630	3.1
323.09824	8.4
324.10120	0.5
422.27066	0.3
483.25424	0.3
505.10474	0.3
544.16052	0.3
590.64313	0.3
711.25049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56800	0.3
52.82525	0.3
59.01378	1.7
61.98827	0.5
67.19287	0.3
69.03449	3.1
71.01379	3.0
73.02946	1.0
85.02925	1.6
89.02441	0.5
93.03461	4.9
94.15993	0.3
101.02451	1.6
108.02158	1.1
113.02448	12.4
121.02950	91.6
122.03730	2.9
123.04517	0.4
127.04017	1.3
131.03618	0.4
134.03754	0.4
135.04491	0.9
137.62726	0.3
143.03528	0.3
147.04459	0.5
150.03169	2.7
151.03969	0.4
151.07631	0.9
152.25000	0.3
157.20045	0.3
159.02963	0.4
161.04549	3.3
162.03299	0.5
163.88123	0.3
173.94896	0.3
179.03415	0.4
227.03192	0.3
257.08069	0.5
258.08997	4.0
268.71613	0.3
271.09799	1.3
272.10516	70.4
273.11273	58.5
274.11612	2.9
285.11316	1.3
287.12863	0.9
297.11319	1.4
298.11679	0.4
315.12329	4.0
327.12323	2.5
405.20905	0.3
435.16541	100.0
436.16898	8.6
597.21832	0.8
685.76819	0.4
711.24762	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	711.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.4
61.98825	1.8
71.01382	6.3
73.02943	1.0
73.34893	0.4
85.02953	1.6
87.00872	0.5
89.02443	5.7
93.03455	1.3
94.94744	0.4
95.01405	0.4
97.02840	0.4
101.02452	2.8
102.36244	0.4
106.76933	0.4
109.02952	0.5
110.02409	0.3
110.98138	0.4
113.02434	2.2
119.03513	1.8
121.02952	1.6
122.03738	1.5
123.00862	0.8
124.01669	0.5
125.02463	0.5
125.51051	0.4
131.03452	0.4
134.03699	1.4
136.01668	23.2
137.02490	3.3
138.03175	0.9
141.32310	0.4
143.03551	0.8
151.00397	5.7
151.04012	38.4
152.01036	0.6
152.04483	1.2
153.05563	0.5
160.05309	0.5
161.04565	1.9
162.03200	0.8
163.04073	0.6
165.02063	0.4
166.02716	22.1
167.03345	0.8
173.04546	5.1
175.03943	0.6
175.07574	0.7
177.01952	1.2
178.02470	0.4
179.05658	2.9
181.05070	33.8
182.05432	1.0
191.05623	1.1
193.05069	1.2
195.03014	0.5
203.07143	0.8
205.05122	0.5
205.08701	0.6
298.08405	0.5
306.07706	0.9
313.10666	0.9
329.10300	0.9
339.12460	0.6
357.09818	7.8
367.10220	0.8
369.09866	1.2
369.13480	1.5
372.12115	6.8
373.12527	0.5
387.14493	100.0
388.14847	7.7
417.11005	0.5
531.18500	1.8
549.19031	1.3
637.04401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	31.6
61.98832	17.4
71.01379	15.8
75.96610	6.1
89.02424	16.7
98.21780	11.2
101.02440	12.7
118.13123	6.2
119.03463	10.1
144.45157	6.5
152.99625	7.2
183.02190	6.3
183.60559	6.8
230.70412	6.8
235.08234	11.3
253.21815	10.9
277.21683	34.4
335.13989	6.9
397.13568	100.0
415.14423	26.3
490.37863	9.1
555.80774	8.4
711.33795	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71965	4.7
53.75268	3.9
53.83736	4.2
53.93315	3.4
55.22627	4.4
59.01385	22.6
61.98835	32.1
65.45663	3.7
71.01373	11.4
85.02961	3.6
88.98808	6.3
93.03437	7.7
94.98164	4.6
116.92817	4.4
137.02434	6.9
161.06102	4.8
165.12889	4.2
191.05647	12.1
197.11844	75.2
209.11833	100.0
211.13405	8.3
227.12912	26.5
235.08133	5.5
240.13690	5.3
253.09157	7.3
268.76575	4.8
370.42212	4.7
433.20953	7.1
445.20816	12.0
553.87805	5.0
625.32135	8.9
637.32251	5.5
673.33459	6.2
703.11542	5.4
711.33258	57.7
712.34015	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	711.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99276	7.8
59.01377	41.6
59.08064	7.5
61.98826	42.0
63.55364	6.9
77.57740	7.9
84.50507	7.9
93.03439	8.5
96.96021	8.5
113.02455	15.4
121.80666	8.6
138.61087	9.7
139.03911	8.8
144.89906	7.8
183.63652	7.5
191.05626	15.0
197.11821	58.7
207.10236	11.1
209.11810	100.0
211.13390	13.7
225.11383	13.8
227.12918	22.5
433.20538	10.0
445.20340	12.2
536.06244	8.4
625.31549	12.1
662.32361	8.9
711.33398	62.4
728.82294	8.7
739.19812	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	712.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.7
61.98816	5.9
68.30973	1.2
69.03446	1.6
71.01373	11.1
73.02928	2.8
81.03450	5.3
83.01349	1.4
83.05023	4.0
85.02937	5.7
87.00859	2.0
89.02427	6.0
93.03455	2.6
95.05038	1.5
97.02959	8.6
97.06564	2.0
98.21789	3.0
99.00874	4.1
101.02406	6.4
106.04283	1.7
109.06586	48.4
110.03703	3.4
113.02437	5.4
119.03439	1.6
121.06586	3.4
123.08155	2.3
125.09694	7.8
135.08150	7.8
136.05309	2.8
145.05142	1.4
161.04500	2.9
161.09695	3.7
162.03621	1.4
163.11270	25.9
173.04512	1.6
181.12343	5.9
185.11641	2.4
187.09721	3.2
191.05583	3.0
191.10869	1.6
207.10249	100.0
208.10568	3.8
209.11833	14.5
219.10529	1.9
223.09714	3.3
223.13286	1.9
225.11287	51.2
226.11639	3.3
235.08130	2.0
245.11800	1.8
253.09293	10.1
263.12787	4.1
299.15051	1.9
327.19644	2.1
353.21295	2.4
371.22464	2.7
387.21722	3.3
389.19583	4.5
397.20132	6.6
405.17804	1.8
405.22571	2.6
415.21164	15.4
416.21335	2.3
433.22198	3.8
443.19186	4.7
461.20248	17.6
471.24506	1.6
597.29218	4.1
607.27368	15.0
623.30109	2.6
625.28613	25.9
626.29523	2.0
633.29120	13.3
651.30115	58.5
652.30591	9.6
669.31140	28.5
670.31360	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
61.98807	4.2
63.78586	1.1
67.93178	1.1
69.29607	6.4
72.91012	1.1
73.02943	2.1
83.01307	1.2
83.04997	1.3
85.06584	1.6
97.06570	1.2
101.02379	1.8
107.27520	1.1
113.06106	1.7
125.09702	1.7
131.03777	1.9
134.03770	1.7
136.01738	1.3
138.15623	1.0
139.07652	1.4
144.04515	9.2
146.06114	100.0
147.06444	3.2
150.91196	1.0
157.08716	2.3
171.10252	2.0
171.93919	1.1
190.05026	5.3
191.05623	1.8
199.13390	1.7
201.11337	7.3
215.12895	1.6
256.16522	1.4
261.18585	1.8
315.21686	1.5
323.18732	1.9
328.22925	1.2
339.21671	1.3
341.19592	5.0
342.26123	1.1
359.20728	14.5
373.22293	3.1
377.17355	1.6
377.21802	19.4
383.20718	5.6
401.21790	4.7
475.26376	1.2
521.26123	3.0
551.19043	2.4
643.05029	1.2
668.32227	2.7
712.31799	71.9
713.32312	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	712.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01371	1.1
62.96775	0.4
67.04376	0.4
69.03439	0.7
71.01361	1.3
71.05013	1.6
73.02943	1.7
73.74840	0.4
75.00861	0.7
83.01350	0.5
83.05074	0.6
84.04519	0.5
84.25501	0.4
84.82702	0.4
85.02943	1.1
87.04530	0.7
89.02438	0.4
93.03449	1.4
94.05354	0.4
95.05008	1.2
95.73410	0.4
97.02940	1.9
98.03725	10.4
99.04539	0.9
109.02947	1.1
112.04061	0.5
113.02451	1.5
115.03971	0.8
121.02953	6.0
123.04535	0.8
125.02451	3.1
127.04035	2.5
137.02386	2.4
139.07635	0.5
141.89757	0.5
150.03247	0.7
151.04025	0.5
161.02477	0.7
165.01994	0.5
167.03487	1.5
175.04022	0.6
180.97574	0.4
181.13893	0.4
191.05669	2.1
218.19147	0.9
237.03976	0.7
244.07268	0.4
249.06152	3.2
250.14639	0.8
287.05521	0.5
289.07364	1.3
303.08688	5.6
346.23871	2.0
362.23352	1.1
371.09784	8.1
372.21777	1.2
388.21304	0.9
390.22864	15.9
391.23148	1.0
397.49887	0.4
406.22302	3.3
407.07822	0.8
407.22516	3.2
408.23865	100.0
409.24228	7.0
434.22275	0.8
475.14731	1.6
547.38733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01371	1.1
62.96775	0.4
67.04376	0.4
69.03439	0.7
71.01361	1.3
71.05013	1.6
73.02943	1.7
73.74840	0.4
75.00861	0.7
83.01350	0.5
83.05074	0.6
84.04519	0.5
84.25501	0.4
84.82702	0.4
85.02943	1.1
87.04530	0.7
89.02438	0.4
93.03449	1.4
94.05354	0.4
95.05008	1.2
95.73410	0.4
97.02940	1.9
98.03725	10.4
99.04539	0.9
109.02947	1.1
112.04061	0.5
113.02451	1.5
115.03971	0.8
121.02953	6.0
123.04535	0.8
125.02451	3.1
127.04035	2.5
137.02386	2.4
139.07635	0.5
141.89757	0.5
150.03247	0.7
151.04025	0.5
161.02477	0.7
165.01994	0.5
167.03487	1.5
175.04022	0.6
180.97574	0.4
181.13893	0.4
191.05669	2.1
218.19147	0.9
237.03976	0.7
244.07268	0.4
249.06152	3.2
250.14639	0.8
287.05521	0.5
289.07364	1.3
303.08688	5.6
346.23871	2.0
362.23352	1.1
371.09784	8.1
372.21777	1.2
388.21304	0.9
390.22864	15.9
391.23148	1.0
397.49887	0.4
406.22302	3.3
407.07822	0.8
407.22516	3.2
408.23865	100.0
409.24228	7.0
434.22275	0.8
475.14731	1.6
547.38733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56785	0.6
59.01366	1.8
59.63964	0.6
60.99303	19.8
61.42226	0.6
88.98804	100.0
89.99200	0.8
95.77775	0.6
96.95977	0.7
101.02467	0.7
104.79252	0.6
107.16170	0.8
112.62601	0.6
125.02480	1.1
146.06110	0.8
151.00366	0.6
191.05638	1.5
223.59920	0.6
227.03468	0.8
243.03017	3.1
255.03047	1.8
257.04590	0.8
271.02493	6.1
285.04120	0.9
299.01974	7.2
300.02768	6.2
314.04288	8.9
315.05103	17.2
316.05753	0.9
333.39502	0.6
557.48199	0.6
623.16205	23.5
624.16663	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	713.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03434	0.9
58.02967	2.9
59.01375	29.9
69.03443	1.8
71.01374	12.3
72.00911	0.4
73.02941	19.3
79.35088	0.3
81.03451	0.8
82.02975	1.8
83.01381	7.5
84.04538	0.5
85.02940	5.3
86.02473	0.6
87.00868	5.2
89.02438	12.0
93.03463	0.3
94.03000	0.6
94.09506	0.3
95.01378	0.4
96.04551	0.4
97.02935	2.8
98.22635	1.0
99.00875	2.6
100.04041	45.8
101.02438	16.9
101.04351	0.4
107.01340	0.4
109.02954	0.9
112.04036	5.0
113.02449	4.3
117.01910	0.7
119.03513	2.2
122.02474	1.1
123.04485	0.4
124.04037	1.4
125.02440	15.4
126.05583	0.4
128.03561	1.9
130.06616	1.3
131.03499	6.4
133.02945	0.4
135.04555	1.7
136.04065	0.5
137.02458	0.5
141.01941	0.7
142.05081	5.1
143.03491	1.9
146.06133	0.6
148.04001	1.1
149.04547	2.1
154.05103	2.0
160.06165	1.4
161.02451	0.7
161.04543	14.0
166.05075	1.9
172.06142	0.6
174.05598	2.4
179.03526	1.0
179.05603	18.7
180.05974	0.5
184.06119	2.9
191.05533	0.6
202.07207	5.6
203.05577	1.2
203.07234	0.4
222.77356	0.4
226.07074	0.4
233.06517	0.4
237.75366	0.4
244.08235	1.3
245.06662	0.4
262.09299	1.8
262.21280	0.4
289.07120	1.2
293.08755	9.1
294.08783	0.4
311.09830	3.6
315.15985	0.5
335.07761	1.0
335.38272	0.3
346.11392	0.6
364.12497	1.0
403.73358	0.4
406.13593	2.9
406.22144	1.1
407.22449	0.5
424.14743	3.1
424.23465	0.6
450.13998	0.6
468.15610	0.5
496.16687	8.3
514.17700	6.1
515.18219	0.5
538.17737	4.8
556.18781	100.0
557.19049	8.6
617.63226	0.4
653.22028	0.5
671.23358	0.5
713.23920	0.7
722.85577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72644	1.6
54.15428	1.6
56.21949	1.6
59.01377	15.9
61.98830	17.2
69.07069	11.9
71.01373	7.2
72.99316	2.4
75.00877	1.9
85.02951	5.3
89.02437	4.2
93.03459	3.0
95.01376	2.7
96.00893	2.5
96.04491	2.1
96.95988	2.0
98.02458	2.1
101.02427	4.9
107.05022	2.5
111.05634	22.7
113.02438	4.8
113.03526	1.6
119.05002	6.6
123.04499	1.7
135.04523	45.7
137.07150	3.7
139.03993	3.0
144.04472	2.2
150.03127	1.7
151.03969	3.2
153.05530	3.1
153.06689	1.9
153.09210	1.8
155.03705	4.5
155.08264	28.1
157.05295	6.4
163.04002	6.2
165.10336	3.4
166.08655	2.0
168.04520	5.6
173.04584	2.9
179.03502	21.2
187.11229	2.4
191.05687	9.6
193.09790	3.9
197.04584	3.8
199.05124	6.2
201.06580	2.4
201.79153	1.5
209.09206	3.7
211.05124	19.1
212.05815	6.9
214.07501	2.9
225.06895	2.7
226.06149	6.6
228.07738	8.5
242.05588	3.3
244.07681	5.6
246.09203	24.4
254.05638	2.0
254.81798	1.7
260.10794	13.4
268.07224	5.8
282.08807	5.8
289.09848	7.7
301.09860	12.7
301.12936	2.8
303.11365	55.9
304.11865	2.7
313.99481	1.8
341.08771	3.5
347.10437	11.1
377.14200	4.4
379.10403	5.5
513.21350	6.2
529.20636	5.2
535.31085	2.6
536.31549	4.5
557.20355	37.1
558.20496	3.9
565.25885	2.5
572.21509	3.7
573.19574	10.2
578.21320	2.4
582.27167	12.0
597.28455	2.6
625.27594	6.8
669.26605	26.1
670.27649	2.5
685.26428	2.4
713.25629	100.0
714.26147	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	713.26
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
59.01392	5.3
71.42402	5.1
88.40160	4.2
124.39543	4.3
136.01653	18.8
137.02463	4.6
145.02953	4.8
151.04063	8.2
160.84238	7.9
183.40567	4.1
207.06744	5.2
382.92618	4.3
441.97849	4.6
713.26105	100.0
713.37225	7.0
714.26776	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	713.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03440	2.4
59.01377	32.4
69.03464	0.8
69.29333	3.7
71.01379	35.1
73.02940	6.1
81.03448	1.3
83.01387	4.6
85.02947	20.1
87.00876	3.1
89.02439	20.0
95.01397	2.8
95.05042	0.8
97.02955	2.1
98.22779	0.7
98.64371	0.8
99.00880	13.2
101.02443	23.6
103.80280	0.7
109.02937	0.8
113.02451	25.8
117.03442	2.2
119.03496	8.4
120.01219	1.2
120.54013	0.7
125.02469	2.5
131.03494	1.2
134.03745	23.1
135.04051	0.8
136.05302	8.3
137.02440	2.1
143.03496	6.4
149.06079	1.6
155.03511	0.9
159.02997	1.5
161.04549	25.0
171.08154	0.9
179.05630	7.5
191.05679	1.2
193.05048	22.9
194.05386	1.1
203.05545	1.4
221.06676	2.8
227.10765	50.6
228.11108	2.5
323.09814	100.0
324.10120	3.6
359.14075	0.8
389.16046	1.7
411.30692	0.8
551.21350	31.1
552.21710	3.3
609.74091	0.9
713.26276	2.3
725.79041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98602	1.2
56.36934	1.2
58.02972	9.4
59.01366	1.6
59.45754	1.0
66.03472	1.1
71.01369	1.5
71.41685	1.1
74.02470	21.6
80.31651	1.0
82.02992	3.5
86.02477	7.3
86.52107	1.0
86.99113	1.4
87.02787	1.1
87.05653	3.0
90.00175	2.2
97.04065	1.5
99.05637	17.3
101.02449	2.0
101.07208	2.1
102.05595	3.2
107.06100	1.1
109.04059	2.9
109.07722	1.0
111.05699	1.8
112.04025	2.1
116.01799	1.3
118.98085	2.1
121.02934	1.4
123.05614	1.3
125.03555	1.8
127.05130	4.6
128.03540	43.4
129.03839	1.1
134.03764	13.1
135.05617	4.8
137.07127	1.2
141.06694	2.9
143.04622	59.6
145.06149	2.5
146.04585	4.5
149.02402	1.1
149.06062	2.0
149.07179	1.2
150.03246	2.6
153.06712	2.5
157.68707	1.3
160.00726	14.7
165.05508	4.0
166.09848	2.7
167.03493	4.7
167.04643	3.2
167.08238	3.2
168.03851	1.1
170.03299	1.4
176.04741	1.1
177.03351	3.7
178.02721	3.1
179.04584	12.5
181.06317	1.5
185.05690	1.6
191.05644	2.3
192.07759	1.8
193.05043	20.2
194.05391	1.8
195.06560	1.9
197.05649	2.4
210.08829	13.7
228.09950	1.8
235.06097	2.1
242.07834	1.0
254.07800	19.3
272.08875	41.5
288.06625	8.4
306.07645	100.0
307.07977	3.7
341.10220	1.8
367.10284	4.0
368.10056	1.2
371.09995	1.6
389.12476	5.8
396.22052	2.6
406.22400	3.7
407.22574	4.9
551.17706	2.4
552.18213	1.3
584.26416	1.3
655.07910	1.3
695.29749	4.4
713.30731	34.1
714.31116	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46574	16.7
59.01375	32.6
61.98822	62.2
71.42436	20.3
75.10377	21.7
78.95897	72.9
94.92467	20.1
119.51260	20.5
152.99577	60.8
176.56239	18.9
279.23251	78.9
357.77353	20.7
397.13336	100.0
415.14572	36.8
595.28741	70.8
678.21588	23.1
705.21246	21.1
713.35376	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15454	6.8
56.17032	5.5
59.01373	23.5
61.98816	11.2
71.01366	14.7
78.95869	8.0
85.02965	5.7
87.00897	7.3
89.02459	18.2
90.93206	6.4
101.02461	15.4
113.02486	9.0
203.68791	6.9
235.08318	8.1
279.23279	56.1
397.13437	100.0
415.14444	30.3
561.15704	7.0
677.37036	12.6
713.35248	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12279	0.3
52.46767	0.3
54.74564	0.3
62.85242	0.3
65.03960	1.0
67.01904	0.4
68.99786	0.3
79.98648	0.4
81.03452	0.5
93.03465	0.8
95.05016	0.8
105.03427	0.3
107.01390	0.8
108.02180	2.0
109.02940	4.1
111.00849	0.8
116.92850	0.5
121.02956	4.9
122.03741	5.0
123.04516	8.3
125.02445	2.0
133.02948	1.0
135.00792	0.5
136.01639	2.7
136.98813	0.7
137.02440	8.4
138.03175	0.6
139.00375	0.8
139.04015	0.7
150.03186	0.3
151.00349	0.3
151.04018	1.9
152.01120	0.5
153.01939	1.1
163.07675	0.4
165.01851	1.7
166.02710	1.5
167.03481	3.2
173.06142	0.4
175.03905	0.3
175.07649	0.7
176.08112	0.3
177.01947	0.4
180.27060	0.3
181.01418	7.1
189.05473	0.4
191.07085	1.2
193.01346	0.5
193.08487	0.4
195.02948	1.8
209.08168	1.1
235.06065	0.9
237.07692	1.2
240.23404	0.3
253.07091	1.3
268.05249	0.3
334.40051	0.3
389.27048	2.2
392.25742	0.6
393.26526	2.5
403.24774	1.1
406.26767	0.5
407.28033	9.1
417.26447	1.2
421.25931	26.6
422.26349	1.9
435.27563	5.9
441.30237	0.4
447.30743	0.4
459.31357	2.2
475.30676	7.2
476.31250	0.5
477.32214	5.0
493.32019	1.6
637.33081	0.4
641.33496	2.6
683.37341	0.6
695.37653	1.1
713.39008	100.0
714.39349	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	713.3902
Annotation	Avermectin B1b monosaccharide
Peak:m/z	Relative Intensity
52.59048	0.4
52.86311	0.4
58.83575	0.5
59.01384	0.5
61.08928	0.5
61.98804	0.5
65.03947	1.8
67.01865	0.7
68.99812	0.5
81.03432	0.9
81.47034	0.4
93.03434	2.0
95.05024	0.8
107.01362	1.0
107.05021	0.8
108.02153	2.0
109.02946	3.1
111.00874	0.7
121.02950	7.4
122.03738	9.6
123.00865	0.5
123.04522	16.4
125.02431	3.7
126.14880	0.5
132.02148	0.6
133.02982	3.7
135.04510	1.0
136.01668	1.6
137.02443	7.2
138.03209	1.3
139.00369	1.1
139.03990	1.5
149.02480	0.8
150.03226	1.8
151.03998	4.8
152.01146	0.7
153.01901	1.2
157.60876	0.5
159.04483	0.7
160.57094	0.5
165.01964	2.5
165.41879	0.6
166.02687	1.6
167.03500	4.8
175.07632	1.1
177.01910	1.7
177.05489	0.5
179.03438	0.6
181.01418	4.6
191.07091	2.4
193.08653	0.8
195.02902	2.3
201.32352	0.6
209.08177	3.5
209.11664	0.9
235.06129	1.4
237.07634	3.1
253.07094	3.1
253.21544	1.0
258.22293	0.6
267.23248	1.0
277.21729	0.7
389.27078	4.3
391.28366	0.8
393.26718	2.3
403.24646	1.1
407.28000	10.6
408.28131	0.9
417.26437	4.9
421.25919	16.3
422.26337	1.5
431.27713	0.7
433.25864	0.9
435.27487	15.1
436.27594	1.1
447.31372	0.7
457.29675	0.6
459.31238	2.6
475.30643	7.3
476.30731	0.7
477.32285	4.8
478.32199	0.6
493.31726	2.0
564.34473	0.6
567.29724	0.7
641.33240	2.3
655.34296	1.3
695.37805	1.7
713.39020	100.0
714.39435	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	713.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	43.3
61.67501	1.8
61.98816	2.3
62.62577	1.9
69.75584	2.9
69.75910	5.9
71.01382	23.6
73.02924	5.8
78.95899	10.0
85.02928	3.2
87.00874	4.5
89.02446	22.6
97.02946	2.0
101.02433	17.4
113.02402	9.8
119.03490	7.2
125.02443	7.6
141.67464	2.4
143.03459	4.5
152.99571	6.1
161.04568	5.0
173.88554	2.2
176.56262	2.1
179.05539	3.9
194.44679	2.1
215.08324	2.1
235.08215	9.0
253.62994	2.1
255.23289	72.4
256.23541	4.2
279.23282	3.1
287.07764	2.6
305.08765	2.7
336.64575	2.5
389.94818	2.3
397.13489	100.0
398.13730	4.7
415.14615	27.1
519.75201	2.4
595.29016	6.1
653.37903	4.2
673.75653	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	713.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80779	1.0
55.01860	0.7
56.66702	0.7
59.01378	4.6
61.98806	0.9
69.03439	4.2
69.52374	1.8
69.52760	1.8
71.01382	3.9
71.04990	1.0
73.02950	1.0
77.05386	0.7
77.51060	0.7
82.45323	0.7
85.02938	1.6
86.53319	0.8
87.40164	0.7
89.02446	1.5
93.03440	0.8
97.02950	0.7
97.06570	1.0
98.22648	1.5
99.92636	0.7
101.02433	2.7
108.02197	1.2
109.02977	1.5
113.02426	1.7
117.03429	1.6
121.02925	3.3
122.03741	2.0
123.04514	2.9
125.09723	1.3
137.02463	1.8
143.10970	0.6
149.02438	0.8
151.03989	1.6
151.11288	2.4
157.08679	2.6
161.09671	2.3
165.01880	2.2
167.03458	1.2
175.07660	1.0
179.10762	6.1
181.01393	1.2
193.08539	1.0
197.11807	30.6
198.12225	1.4
209.11780	2.3
237.07698	5.1
241.10797	1.2
253.07039	1.2
253.09320	2.3
253.21719	56.0
254.22014	3.3
267.23276	3.2
317.18829	0.8
403.24722	1.7
405.26315	1.0
417.26486	2.0
421.26120	3.6
435.27344	2.2
459.31067	1.4
475.30869	1.5
477.31912	1.1
478.85547	0.9
482.91483	0.9
525.47595	0.8
641.33350	4.7
655.34680	4.9
695.38110	2.9
713.40552	100.0
714.40637	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	713.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39919	0.4
97.58038	0.5
98.21889	1.2
113.92846	0.5
125.86900	0.4
131.36055	0.5
171.86243	0.5
229.20280	0.5
376.28766	0.5
390.99524	0.5
677.49591	1.7
713.47363	100.0
714.47687	17.1
714.60425	0.9
736.98199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34408	0.5
57.03415	1.0
59.01375	9.9
61.98837	2.5
71.01376	4.9
73.02933	1.9
75.50510	0.6
80.02663	2.0
81.03455	2.4
83.01386	1.1
83.05028	7.2
84.02184	1.1
85.02946	1.9
87.00887	1.0
89.02448	3.7
93.03460	1.8
95.05033	1.6
97.02966	3.4
97.06616	0.8
101.02441	4.1
106.04124	0.5
108.14666	0.6
109.06587	17.9
110.03725	1.2
113.02472	2.6
119.46087	0.5
121.06590	1.5
123.08128	1.0
125.02430	0.8
125.09719	1.6
131.03471	0.6
132.10548	0.5
135.08195	3.2
136.05399	0.6
137.02444	1.3
139.04019	0.8
142.02762	0.6
161.04622	1.0
161.09738	1.0
163.11288	13.8
164.11583	0.7
165.12816	3.0
171.10254	1.4
179.05716	0.9
181.12289	3.2
185.11826	1.7
189.09258	1.0
191.05609	1.1
191.10788	1.1
197.11865	0.6
207.10260	46.6
208.10590	1.2
209.11821	100.0
210.12141	3.4
221.11890	0.9
225.09108	1.2
225.11301	21.5
226.11647	0.9
227.12872	14.0
231.10277	1.1
235.08244	3.1
236.29855	0.6
245.12006	0.7
249.11188	1.5
253.09299	11.3
265.14395	1.3
368.71555	0.7
373.19687	0.9
373.23956	1.3
381.20682	0.8
391.20892	0.6
399.21716	5.1
417.23029	4.3
443.19394	2.8
445.20667	1.5
461.20346	7.4
592.06366	0.7
609.28912	0.9
610.36578	0.7
627.30341	0.9
635.30750	12.7
636.31116	1.9
653.31726	13.5
654.32672	1.3
671.32758	19.5
672.33252	1.9
676.21375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94613	0.3
52.70059	0.3
59.01376	22.3
60.27863	0.3
63.02383	0.5
65.00330	0.4
70.15746	0.6
70.16074	0.4
71.01391	1.3
72.99311	2.5
75.46300	0.3
83.01409	0.5
83.04990	0.3
85.02943	0.5
88.98814	0.8
89.02455	0.8
93.03481	0.5
96.60297	0.4
101.02454	1.1
103.05535	0.8
103.77947	0.3
107.01392	1.3
108.02174	0.7
109.02942	1.0
113.02453	1.1
119.05032	2.6
121.02977	1.1
135.00841	0.5
137.50598	0.4
147.04520	49.7
148.01654	0.7
148.04854	1.5
148.54431	0.3
149.02419	0.4
150.51869	0.3
151.00363	6.9
163.00363	1.4
163.03995	0.6
164.01169	0.8
165.05563	42.2
166.05908	1.1
168.23682	0.3
169.01549	0.3
173.04607	0.4
178.99844	4.3
191.05682	0.9
207.06622	30.1
208.06953	1.1
226.02773	1.0
227.03464	1.1
228.37698	0.4
229.05000	0.8
243.02995	4.9
245.04533	0.8
254.02248	1.2
255.02980	14.9
256.03503	0.9
271.02478	29.0
272.03040	2.5
283.02466	0.9
299.02075	0.6
300.02740	69.4
301.03488	33.5
301.07080	0.7
302.03882	1.6
375.38806	0.4
463.08813	100.0
464.09103	8.1
611.32678	1.7
629.33771	1.2
671.34576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46305	0.6
55.01870	0.8
59.01376	100.0
60.01713	0.9
61.98822	1.9
65.82526	0.7
69.03451	7.7
71.01379	33.1
72.99299	0.5
73.02944	66.0
75.00862	1.4
81.03446	0.7
83.01382	12.9
85.02947	7.8
87.00894	2.3
89.02445	16.4
90.84277	0.6
93.03474	1.5
95.01388	3.1
96.96011	1.2
97.02986	1.3
98.00099	1.0
101.02442	51.6
111.04478	0.6
113.02451	45.5
119.03515	10.8
125.02434	1.3
131.03502	6.7
135.04526	1.5
136.01703	2.1
137.02513	0.7
139.04051	1.5
143.03506	7.0
145.03001	0.6
145.08652	1.6
147.02997	1.6
149.04567	21.9
150.03204	0.7
151.04053	1.5
155.03503	1.6
161.04561	42.1
162.03262	3.4
162.04945	0.8
165.05554	1.0
173.04575	1.9
175.75572	0.6
176.52696	0.7
177.05566	3.5
179.03964	1.2
179.05598	13.1
189.00476	0.7
191.05606	3.1
195.06674	0.9
203.05602	4.3
221.06657	50.4
222.06969	1.2
323.09869	1.0
325.84665	0.6
345.20370	0.6
361.18823	0.8
383.11816	2.9
538.33600	0.8
553.26373	1.5
671.25793	0.9
679.35486	0.8
715.32721	1.0
744.17255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20507	1.2
53.98083	1.1
59.01377	9.2
59.21457	1.1
60.67773	1.1
61.98812	4.5
67.01871	1.4
71.01367	4.7
89.02439	6.4
93.03448	4.2
96.96002	3.9
101.02455	3.6
103.01453	1.6
109.02926	1.4
113.02461	2.8
119.03539	2.8
120.01221	3.4
121.02945	11.1
122.03742	13.8
123.04562	2.3
124.01627	1.5
133.02939	2.3
135.04538	8.9
136.00697	2.1
136.01662	27.0
137.02432	4.5
143.66011	1.3
146.03743	1.6
146.26976	1.3
147.04593	1.9
149.02444	29.8
149.06047	1.6
150.03227	61.1
151.04016	31.6
159.04474	1.2
160.05247	2.1
161.06017	2.3
162.03270	1.6
163.03984	4.4
164.04773	6.2
165.05569	57.9
172.05304	2.5
175.03978	8.6
175.07687	1.7
176.04700	1.3
177.05536	4.5
180.04289	3.5
189.05609	2.9
190.06386	11.0
191.05595	1.7
195.06624	30.0
196.07188	1.7
205.08607	2.0
237.76842	1.3
252.04457	1.3
255.06783	1.9
284.07053	2.0
285.07611	3.5
287.15793	1.4
299.09201	5.2
303.12479	1.5
304.12613	1.8
311.09177	1.9
324.10229	1.4
325.10709	1.9
327.12387	4.4
339.12372	3.0
340.40131	1.3
357.13464	25.8
381.58896	1.6
475.17642	5.7
490.16336	2.7
505.18668	100.0
506.19202	6.7
523.19110	1.4
535.19641	1.8
553.20746	57.1
554.21130	3.0
714.47394	7.8
715.47394	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	715.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.8
61.98822	3.4
67.62570	1.9
69.04800	8.2
69.05222	3.6
71.01369	6.7
73.71913	1.3
85.02934	1.9
89.02425	5.8
93.03448	3.4
96.96001	2.2
101.02427	3.3
103.74037	1.5
108.02160	1.9
113.02419	3.1
119.03502	1.8
120.01225	6.2
121.02961	11.4
122.03732	9.0
123.04513	2.2
133.02997	2.0
134.03745	2.0
135.04568	8.8
136.01656	24.7
136.05182	1.4
137.02422	5.4
147.04436	2.1
149.02452	25.2
150.03229	50.5
151.03992	26.3
162.03192	2.0
163.03969	3.4
164.04761	5.3
165.05562	54.3
166.47740	1.6
171.27769	1.8
171.36105	1.6
172.05255	2.0
173.04555	1.6
175.03978	8.7
175.07506	2.2
176.04749	1.6
177.05530	1.9
180.04308	3.2
189.05544	3.3
190.06369	10.4
191.05643	2.9
195.04950	2.7
195.06615	27.8
284.06799	2.0
285.07556	2.5
299.09464	3.2
327.12424	4.1
342.11154	2.6
357.13477	20.4
437.57074	1.6
475.17535	4.9
490.15836	2.1
505.18658	100.0
506.19266	7.5
509.19736	1.6
523.19708	2.3
535.20392	2.1
553.20795	53.2
553.29510	2.5
554.20984	4.3
678.49731	2.1
714.47565	29.8
715.47223	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	715.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59736	4.5
59.01383	6.0
61.98830	13.1
69.26632	10.4
69.27041	13.2
79.25305	5.0
80.00143	4.7
93.03472	9.8
109.02966	5.0
110.84175	4.4
116.92951	6.7
121.02958	11.0
123.04453	5.0
145.02982	4.6
162.03275	4.8
177.05618	6.0
191.07088	5.0
253.05214	6.9
267.06635	33.3
268.07416	5.8
279.06622	10.9
282.05844	4.9
282.09045	26.2
283.09628	5.8
291.06628	9.1
293.08163	10.1
294.09082	7.0
296.06830	10.8
297.07684	13.7
297.11298	26.5
305.08136	7.5
308.10251	5.3
309.11316	7.6
311.09192	13.6
321.11264	6.3
322.12161	6.2
327.12418	7.7
349.14352	6.7
357.13583	7.4
436.71332	5.1
589.18567	22.4
601.18683	12.6
604.20929	19.4
607.23389	48.4
616.21216	6.5
619.23340	100.0
620.23639	12.0
631.23297	37.6
637.24384	16.1
649.24481	15.7
655.24994	12.3
667.25464	71.6
668.25787	7.2
679.25574	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62882	0.8
59.01376	9.8
60.70480	0.8
61.98823	2.7
67.07696	0.9
69.03473	2.9
69.23875	4.7
71.01390	3.8
73.02982	1.1
83.05032	2.3
85.02969	1.2
89.02450	2.1
93.03479	1.6
95.05044	0.9
101.02470	2.1
105.05335	0.8
109.02942	0.9
113.02416	1.1
116.92929	1.6
124.03694	0.9
161.04575	1.4
163.11292	3.8
165.12845	3.4
171.10269	2.2
181.12270	2.8
191.10793	4.2
197.11853	2.2
207.10248	1.3
208.10645	1.1
209.11818	100.0
210.12160	6.0
223.13396	1.4
225.11314	1.7
225.80983	0.9
227.12857	9.7
231.39815	0.9
235.08281	2.2
245.02330	0.9
249.04021	2.3
251.82462	0.9
253.09323	5.1
258.07709	2.8
360.84921	1.1
426.21729	0.9
445.20831	8.1
637.32233	2.5
672.32452	1.1
683.32532	2.1
715.36115	2.1
716.28540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53940	7.6
54.38491	8.4
58.73770	8.0
59.01360	14.3
60.53740	8.6
61.98828	100.0
63.84193	8.2
64.38464	8.4
65.22386	8.9
65.51427	10.4
66.92769	9.6
69.41365	41.6
75.27891	7.8
78.95897	44.5
96.96013	13.3
98.21951	17.9
110.43874	9.1
119.28149	8.3
125.42863	9.8
152.99588	37.0
161.60443	8.3
166.89795	8.0
198.35782	11.9
210.47261	9.2
241.01111	11.6
279.23257	36.9
281.24808	24.9
324.77356	8.5
397.13513	41.8
415.14584	12.6
503.11514	12.4
595.28802	41.1
715.36713	31.7
715.48358	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	715.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
69.03439	3.5
70.50209	1.2
71.01366	2.8
71.05064	0.8
73.02940	1.3
85.02934	1.5
87.00840	1.1
89.02444	2.0
92.82509	0.9
94.32325	0.7
97.02961	0.8
101.02422	3.0
113.02432	1.3
123.08160	0.8
125.09723	0.7
151.11305	1.7
161.04544	1.0
161.09718	3.4
179.10788	5.3
197.11821	31.4
198.12270	1.0
209.11836	1.6
223.09644	1.1
239.53773	0.9
253.09253	2.0
255.23289	62.7
256.23621	3.0
269.24838	1.0
275.63565	0.8
280.11322	0.9
282.76486	0.8
284.57916	0.8
405.26465	1.7
639.35022	1.8
715.42584	100.0
716.42963	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	716.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	50.1
69.33426	8.9
71.01373	22.3
81.70981	1.6
82.25640	1.8
85.02940	3.9
89.02425	21.3
101.02445	13.7
113.02451	6.9
119.03499	8.1
122.06125	3.8
134.06110	29.6
152.07150	5.1
183.06480	1.9
190.05144	3.2
211.65263	1.7
237.06535	2.2
237.10385	9.3
238.07419	2.0
251.08217	2.0
253.09724	6.3
265.06055	4.3
265.09799	3.2
266.06940	9.5
278.06863	5.4
279.07672	2.5
280.08258	2.2
281.09302	64.8
293.09283	38.7
294.09808	1.9
299.64102	1.9
313.12024	12.2
314.12280	4.4
384.17145	2.0
396.40326	1.8
400.16815	2.4
428.15976	5.4
580.23602	2.6
608.22406	74.7
609.23047	6.4
640.25049	20.0
652.21405	18.0
684.24048	100.0
685.24133	8.8
716.26587	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97300	0.3
57.03439	1.5
66.46201	0.3
67.23772	0.3
69.03455	0.4
69.08332	2.1
71.01334	0.3
71.05023	2.3
73.02946	1.8
76.29672	0.3
80.02697	0.4
81.03455	1.2
83.01385	1.3
83.05034	0.9
84.04562	0.5
85.06593	0.6
86.06117	0.4
87.04508	1.2
92.16586	0.3
93.03425	0.5
95.01389	0.5
95.05025	2.3
97.02940	3.0
98.03732	4.0
99.04500	0.6
101.06075	0.7
109.02948	10.5
110.06113	0.4
110.22113	0.3
112.04053	0.5
115.04027	0.7
121.02952	0.9
121.54314	0.3
122.03719	0.7
123.04522	6.6
125.02435	6.6
127.03976	0.7
135.04503	1.0
137.02449	4.7
138.03201	0.4
139.04025	1.7
145.02972	0.5
146.03714	0.8
147.04529	0.4
149.02440	1.9
150.03242	0.5
151.03999	3.6
159.04488	0.9
160.05264	0.8
161.02486	0.7
161.06100	2.4
161.72557	0.3
162.03178	0.6
163.03905	0.4
164.01178	1.1
165.01933	1.4
167.03493	0.8
173.06056	0.4
174.03214	0.3
175.04005	0.9
175.07634	0.7
177.05573	0.4
178.97012	0.3
179.03433	1.6
185.05948	0.4
187.03966	2.2
188.04788	1.9
201.05589	0.5
202.06337	0.8
203.07109	6.1
205.05048	3.4
212.04678	0.4
218.19171	0.5
220.96841	0.3
221.08217	1.3
227.07011	0.7
245.08176	7.0
247.06114	0.6
250.14497	0.7
256.95313	0.3
271.05994	0.4
282.36050	0.3
289.07159	29.5
290.07547	1.0
300.42096	0.4
346.23862	1.8
362.23260	0.9
364.24915	2.8
372.21896	0.8
382.26257	0.4
390.22864	8.5
391.22891	0.4
406.22278	0.6
408.23871	13.8
408.29327	0.7
409.24246	0.5
424.23602	0.5
426.24939	100.0
427.25275	4.4
428.25488	0.5
444.62332	0.3
494.38525	0.4
555.54034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63359	0.3
59.01372	4.2
61.10352	0.3
61.98819	1.2
64.24895	0.3
71.01373	2.7
73.02946	0.7
80.02668	1.0
81.03462	1.2
82.95427	0.3
83.01410	0.5
83.05024	4.3
84.02132	0.7
85.02937	0.6
87.00871	0.4
89.02454	1.5
93.03431	0.5
95.01401	0.4
95.05023	1.2
96.96009	0.6
101.02431	1.7
101.81289	0.3
109.06595	0.5
113.02462	1.7
114.02729	0.3
119.03501	0.3
125.06090	0.6
135.04527	0.4
135.08177	0.5
136.05194	0.4
139.04008	9.8
140.04343	2.7
143.03493	0.3
161.04568	0.8
163.11293	3.5
165.12869	1.8
171.10246	1.0
173.04555	0.4
179.05525	0.5
181.12363	0.4
191.05629	1.3
191.10768	0.8
194.13824	0.3
197.11809	0.7
207.10225	0.5
209.11823	100.0
210.12141	4.6
227.12885	15.1
227.68820	0.3
228.13269	0.7
235.08243	1.9
247.13570	0.5
253.09277	5.7
445.20929	1.9
637.32178	1.0
672.33014	2.6
673.33698	0.6
685.30615	0.7
717.33398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49024	0.1
59.01377	0.4
61.98827	100.0
69.83333	0.1
71.01347	0.1
77.90806	0.1
89.02456	0.2
90.02809	0.1
101.02473	0.1
103.01515	0.1
115.82515	0.1
123.99644	0.1
126.01722	0.1
126.02747	0.1
181.13507	0.1
195.31804	0.1
232.26376	0.1
250.25012	0.1
255.23216	0.2
256.23749	0.2
257.23874	0.1
269.05905	0.1
384.24396	0.1
394.20511	0.1
397.13351	0.2
398.13971	0.2
399.14029	0.3
400.14551	0.1
416.14966	0.1
417.15048	0.1
504.54730	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98827	100.0
62.98537	0.1
71.01391	0.2
89.02447	0.1
98.22669	0.2
103.95137	0.1
117.92938	0.1
181.65810	0.1
182.34081	0.1
255.23424	0.2
256.23663	0.2
257.23947	0.2
374.39584	0.1
397.13889	0.2
398.13965	0.2
399.14166	0.4
400.14664	0.1
499.67303	0.1
652.22180	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	717.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61092	0.6
59.01385	0.7
61.98809	1.5
65.00327	1.3
65.07766	0.7
67.01884	2.5
68.99837	0.7
69.09641	2.5
69.10046	1.3
81.03452	2.5
81.72728	0.6
81.88532	0.6
89.02442	0.6
91.01892	8.3
93.03458	1.9
95.01383	2.1
96.96011	0.8
98.21878	1.4
107.01374	5.5
108.02165	4.7
109.02930	1.2
111.00890	2.2
112.43850	0.8
121.02959	2.3
122.03750	7.2
123.00838	2.2
123.04523	25.6
125.02421	2.4
149.02446	7.4
150.03218	41.8
151.00374	1.2
151.03851	1.0
151.67943	0.7
152.01131	2.5
162.03288	0.7
164.04796	1.5
165.05562	48.7
166.02687	3.2
166.05957	1.0
167.03485	100.0
168.03822	2.2
180.04301	4.0
183.07506	0.7
191.05678	0.9
195.06618	30.8
311.07739	2.9
420.11469	0.7
555.18634	29.5
556.19055	1.8
717.23505	6.7
746.45496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28182	0.4
55.88597	0.4
56.25105	0.4
57.03434	0.6
59.01376	100.0
60.01704	1.2
63.93590	0.4
69.03461	1.0
69.47388	0.9
69.47772	1.1
71.01379	17.6
73.02944	27.1
73.64294	0.4
74.03279	0.4
75.00840	0.5
81.03465	0.6
83.01382	6.4
85.02488	0.7
85.02937	3.6
87.00884	0.5
87.41779	0.4
89.02441	9.5
89.02939	0.7
90.02845	0.5
93.03464	1.1
95.01400	1.3
95.05048	0.5
96.96018	2.5
97.02969	0.5
100.89681	0.4
101.02441	25.5
113.02447	8.2
119.03508	5.1
121.02921	0.6
125.02494	1.4
131.03487	3.3
136.01659	0.7
137.02431	0.5
139.04034	4.9
141.01671	0.6
143.03474	2.7
149.04555	6.2
150.03279	1.0
151.04031	0.6
155.03546	1.2
161.04550	11.2
161.05809	0.6
161.09692	2.2
165.05618	1.6
166.05908	0.6
173.04637	0.5
179.05629	1.2
181.41544	0.5
191.05614	1.1
195.06715	1.3
196.07022	0.7
203.05724	1.3
203.12915	1.0
205.08687	7.1
221.06628	4.0
221.08316	0.4
245.13905	0.7
261.13596	0.7
283.11816	1.0
303.14597	1.3
325.12994	0.5
341.08957	0.6
342.52588	0.5
343.13812	0.7
396.21420	0.5
441.17728	9.1
442.18121	1.5
555.20917	0.9
555.28656	0.7
613.18433	0.5
641.24036	0.7
716.47540	4.2
717.34973	0.9
717.47437	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	717.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.3
61.98846	1.7
65.13896	1.1
67.48228	1.1
70.43153	2.1
71.01377	4.4
71.05011	2.4
73.02933	1.7
84.88358	1.0
85.02931	1.4
87.00890	1.6
87.44878	1.0
89.02445	1.1
90.35116	1.0
94.88670	1.0
95.05017	1.0
97.02939	2.1
97.06561	1.6
99.00887	10.5
101.02442	4.4
113.02433	1.5
123.08199	1.1
125.09710	3.0
132.28969	1.0
132.43987	1.0
163.11313	5.9
171.10260	3.4
181.12357	9.3
185.46007	1.1
199.13414	9.1
207.10271	17.3
225.11324	26.1
235.08252	1.7
243.12405	5.4
253.09299	2.4
255.23289	69.6
256.23590	3.4
404.59030	1.1
479.21213	1.1
586.08411	1.1
699.43048	3.3
717.44250	100.0
718.44141	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	718.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84839	0.5
55.01871	1.4
57.03447	0.9
59.01075	1.0
59.01372	16.6
67.01889	0.6
69.03455	4.8
71.01375	23.6
72.99287	0.7
73.02942	10.2
79.74704	0.4
83.01369	4.3
85.02946	11.6
87.00896	1.2
89.02444	5.3
93.03461	0.5
95.01392	2.0
97.02952	0.7
99.00880	3.0
101.02436	23.6
101.06073	5.2
104.08527	0.5
106.46032	0.6
113.02444	33.7
119.03446	1.2
125.02442	1.0
129.01852	0.5
131.03720	1.3
136.28987	0.4
143.03468	1.2
144.04584	3.6
146.06111	100.0
147.06441	2.3
151.68158	0.5
159.03047	2.6
161.04558	17.1
190.05098	17.8
191.05559	3.4
215.65218	0.5
251.11339	85.6
252.11739	1.5
308.11353	3.0
347.16980	0.7
352.10330	34.6
353.10587	1.4
364.18646	1.0
365.14395	15.5
365.18365	3.7
380.09628	1.1
429.82083	0.5
441.28503	0.5
527.11505	0.6
548.31177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38228	0.2
54.22940	0.2
54.47664	0.2
61.98827	100.0
68.21131	0.2
87.16643	0.2
106.62776	0.2
110.98826	0.2
209.11792	0.3
377.95688	0.2
516.94513	0.2
614.57697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44230	0.3
61.98828	100.0
69.31363	1.3
70.39895	0.2
87.69317	0.3
98.21945	0.5
100.32602	0.3
107.78513	0.3
112.58416	0.2
114.64151	0.3
134.42039	0.2
194.50294	0.3
209.11794	0.6
616.41193	0.3
718.41858	0.3
729.38129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97611	0.2
54.18544	0.2
54.92020	0.2
56.45761	0.2
58.39278	0.2
59.01383	1.7
61.98828	100.0
71.01391	0.8
73.02961	0.2
81.03465	0.3
83.05035	0.4
89.02455	0.3
93.03468	0.6
96.96052	0.4
101.02466	0.4
103.01524	0.3
103.91805	0.2
103.92830	0.2
108.06459	0.2
109.02935	0.3
109.06604	0.6
125.47065	0.2
137.02477	0.6
148.51706	0.2
163.11348	0.5
165.32277	0.2
169.12427	0.5
171.10228	0.5
181.78204	0.2
191.05681	0.5
197.11819	9.1
198.12254	0.4
207.10231	1.5
208.10645	0.7
209.11819	9.4
210.12207	0.8
225.11360	0.5
226.11768	0.3
227.12856	1.7
235.08315	0.3
253.09233	1.1
273.17139	2.1
274.17404	1.2
324.58472	0.2
433.20694	1.0
445.20914	0.4
520.17279	0.3
565.34528	0.3
625.32776	0.3
674.38477	0.3
718.37659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43810	2.4
59.01372	38.1
61.59983	2.0
61.98816	8.0
64.53551	2.2
71.01378	22.6
73.02935	4.2
75.03107	2.2
75.26960	2.0
83.01397	2.1
85.02959	5.4
87.00869	4.5
89.02444	23.4
97.02952	4.6
101.02437	19.1
103.35183	2.1
113.02448	9.4
119.03522	6.3
125.02444	8.6
143.03528	2.4
160.84196	2.1
161.04529	4.9
162.83907	8.2
173.36386	2.4
179.05630	4.6
235.08199	9.4
277.21710	61.0
287.07700	3.5
305.08878	3.4
388.65378	2.2
397.13483	100.0
398.13837	3.8
415.14603	35.2
448.93646	3.0
606.51581	2.6
675.36475	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	718.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65269	0.3
55.01875	0.9
56.48169	0.4
56.83597	0.3
57.03439	0.9
58.00583	0.6
59.01377	43.7
61.98838	2.5
65.25850	0.4
67.79177	0.3
69.03449	1.9
69.49339	0.3
71.01379	28.5
72.99309	1.0
73.02941	6.6
74.38736	0.3
75.00861	0.8
81.03436	1.7
82.86646	0.3
82.96876	0.3
83.01380	3.4
83.05016	0.4
85.02946	7.5
87.00877	6.8
89.02440	26.7
91.04008	0.5
93.03446	0.4
95.01376	2.1
97.02941	4.8
99.00906	1.4
99.04500	0.4
101.02436	22.6
102.02828	0.3
102.25053	0.3
103.04052	0.4
109.02961	0.7
111.00851	0.6
111.04525	1.0
113.02450	11.7
115.04032	0.8
119.03500	8.4
121.02956	0.7
122.49140	0.3
125.01514	0.5
125.02444	9.3
129.17010	0.3
131.03488	1.4
133.05052	0.7
137.02502	0.4
139.04005	0.6
140.44901	0.4
141.01959	0.7
143.03510	4.8
149.04498	0.7
160.84294	0.4
161.04555	5.5
162.83873	2.9
163.04079	0.4
166.67589	0.4
167.03506	0.7
169.05064	0.6
179.05612	5.6
182.30754	0.3
203.05591	0.5
217.07079	0.9
219.05287	0.3
221.06668	2.2
233.22772	0.4
235.08220	12.0
245.06694	0.7
253.09215	2.8
259.20651	0.5
263.07739	1.1
277.09320	0.9
277.21710	76.2
278.22049	4.6
287.07690	4.0
305.08746	4.0
323.09781	1.5
379.12329	0.9
397.13480	100.0
398.13879	4.9
415.14520	33.3
416.14719	1.7
527.12280	0.3
675.36310	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01401	0.4
59.80670	0.4
71.01389	0.5
71.13725	0.4
77.03976	3.0
81.03474	0.5
83.05032	0.7
85.02953	1.3
87.00894	1.1
89.03981	1.3
93.03468	5.5
95.05019	5.8
105.03459	15.7
109.02957	0.7
111.04530	2.4
117.03461	1.0
121.02934	0.5
122.51305	0.4
123.04520	2.1
127.04032	0.9
129.01968	0.5
132.02213	1.0
133.02959	100.0
134.03806	8.3
135.04530	0.7
137.02435	0.7
149.06078	0.8
151.04050	1.0
155.03514	2.6
159.04517	0.6
173.04546	13.8
177.01927	54.2
178.02312	1.6
191.05605	10.6
193.05042	10.1
193.06720	0.7
197.64735	0.4
265.05127	0.6
266.05753	1.2
268.07394	0.4
277.05014	0.5
283.09796	1.4
293.04507	0.9
294.05371	1.2
307.08148	0.6
309.07684	1.5
327.08710	1.1
334.24954	0.4
338.82211	0.4
351.07199	22.9
352.07516	1.5
353.06711	5.3
367.10287	4.7
368.10571	0.5
501.14038	0.6
527.11853	4.0
528.11926	0.6
570.52423	0.4
684.67487	0.5
719.18280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01379	1.8
60.99297	0.5
65.67104	0.3
67.01885	2.1
69.03459	0.5
70.72363	0.5
71.01389	1.8
73.02932	0.9
78.80593	0.3
81.03462	0.9
83.04996	0.8
85.02949	12.2
87.00877	5.5
93.03458	16.5
94.48669	0.3
99.04511	0.7
108.02183	0.8
109.02950	1.4
111.04510	3.7
121.02916	0.4
123.04484	0.5
127.04005	2.8
129.01971	0.4
133.02969	0.9
134.03716	0.8
135.04495	0.4
137.02402	0.6
155.03458	1.4
159.04483	0.5
160.05730	0.3
171.02997	1.1
173.04526	6.1
177.02025	0.4
185.02446	0.7
191.05603	100.0
192.06038	1.7
195.08072	0.3
221.06140	0.7
222.06737	0.9
237.05550	0.7
238.06291	1.1
239.07051	0.4
248.04846	0.5
249.05510	1.4
250.06358	0.7
251.07126	0.7
264.04156	0.4
265.05005	1.8
266.05804	4.9
267.06656	1.0
268.07343	0.7
276.04520	0.4
277.05176	1.8
281.08185	0.6
283.09924	0.4
292.03699	0.9
293.04504	5.0
294.05316	10.0
295.05966	1.3
297.03986	0.4
309.07654	11.5
320.03168	1.1
327.08609	1.8
335.05667	2.9
338.04346	3.0
339.05042	6.0
339.08795	0.6
353.06638	30.1
354.07050	1.8
501.14020	5.8
502.14108	0.5
527.11920	75.1
528.12299	4.6
545.13306	2.1
718.38190	0.5
719.18573	4.7
720.18329	0.4
739.99207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
58.04977	0.3
59.01397	1.2
62.30611	0.3
62.70803	0.2
67.01900	0.5
68.01096	0.3
69.05059	1.8
70.08110	0.3
71.01396	0.9
73.02972	0.3
74.51664	0.3
81.03497	0.5
83.05043	0.8
85.02949	6.0
87.00881	1.3
92.69305	0.3
93.03456	4.0
100.61458	0.3
101.58640	0.3
109.02965	0.8
111.04505	2.0
119.01324	0.3
121.03035	0.3
127.04005	1.4
133.02968	0.6
137.02441	0.4
142.04366	0.3
155.03522	1.1
161.02385	0.3
173.04539	2.0
177.01999	0.3
182.18671	0.3
191.05606	31.0
192.06032	0.7
209.06049	0.6
217.06606	1.2
218.07428	1.4
221.06110	0.9
222.06822	2.0
223.05989	0.5
234.06834	0.5
235.07625	1.1
237.05530	2.3
238.06302	1.7
249.05597	3.1
250.06343	3.6
252.04346	0.3
265.01935	0.4
265.05032	6.0
266.05820	12.1
267.06094	0.7
276.04041	0.4
277.05087	0.8
281.08090	0.4
293.04547	6.3
294.05328	20.6
295.05661	1.2
309.04694	0.3
309.07690	2.0
310.04761	1.1
325.07071	0.4
338.04309	15.1
339.04837	0.9
353.06650	100.0
354.06970	7.6
375.62076	0.3
501.13773	0.5
509.10941	0.8
521.20654	0.3
525.29120	0.3
527.11920	79.7
528.12335	9.7
528.20294	0.6
683.25348	0.6
698.49170	0.3
719.18243	3.3
720.18433	0.6
733.94348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03835	0.5
57.30064	0.6
67.01874	1.5
69.13487	3.4
71.01380	1.2
77.03963	2.8
83.05016	0.7
85.02938	1.4
87.00867	1.2
88.04592	0.6
89.03984	0.9
93.03451	9.1
95.05021	5.5
105.03458	17.6
106.03799	0.9
109.02969	1.5
111.04489	2.9
117.03473	1.2
121.02955	0.9
123.04515	2.3
127.04047	0.7
129.01945	1.0
132.02199	0.9
133.02953	100.0
134.03790	16.0
135.04478	1.9
137.02438	0.8
149.06096	1.2
150.03250	0.6
151.03978	0.9
155.03456	2.7
159.04524	0.6
169.68100	0.6
173.04547	24.0
174.04845	1.2
177.01918	59.0
178.02296	2.1
181.82344	0.6
191.05598	9.4
193.05052	20.2
195.87340	0.7
215.05721	2.6
260.00833	0.6
266.05890	1.0
268.07214	0.7
283.09995	0.6
293.04865	0.7
294.05377	0.9
307.08322	1.0
309.07779	0.7
327.08636	1.2
342.40332	0.6
351.07196	34.5
352.07489	2.3
353.06592	4.0
367.10275	10.0
393.07706	0.6
527.11774	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	719.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01114	0.6
59.01362	3.6
59.52063	0.6
60.99316	1.2
67.01876	4.2
69.03451	1.8
69.32560	2.5
70.21106	0.6
71.01380	3.8
81.03458	1.2
82.58343	0.6
83.05032	0.9
85.02953	12.9
87.00869	7.9
93.03455	31.3
93.35928	0.6
94.03751	1.0
98.22582	1.4
99.00836	1.0
99.03902	0.7
99.04503	0.8
100.29572	0.6
101.02406	0.9
107.87780	0.7
109.02947	2.6
111.04520	6.2
113.02491	1.2
114.88747	0.6
121.02947	3.7
121.10374	0.7
127.04002	4.3
129.01929	1.3
133.02953	3.5
134.03720	2.7
135.04510	2.7
137.02464	1.5
149.06058	0.8
155.03537	3.1
160.01646	1.9
161.02327	0.9
171.03052	0.8
173.04541	17.4
177.01883	1.5
179.03397	1.0
191.05603	100.0
192.05960	2.3
193.04984	1.7
194.34660	0.7
196.43661	0.6
209.39551	0.6
217.06703	0.8
222.06784	1.8
235.07448	0.8
237.05579	2.7
238.06285	1.8
249.05557	1.9
250.06471	3.4
251.07115	1.1
265.05026	4.7
266.05801	13.6
267.06183	0.9
268.07205	1.0
276.04221	0.9
277.05005	1.8
281.08221	1.5
283.09604	0.8
293.04507	8.4
294.05295	19.1
295.05756	2.2
309.07715	13.5
310.04849	1.1
320.03476	0.7
327.08755	2.0
335.05585	1.2
338.04327	10.2
339.04980	2.9
351.07358	0.9
353.06641	85.4
354.06912	5.5
501.14059	23.0
502.14142	1.8
527.11920	94.6
528.12183	9.5
545.13110	3.3
654.91528	0.7
719.18427	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69583	0.9
59.01374	6.2
66.32954	0.8
71.01389	4.3
89.02449	8.2
92.59361	0.8
101.02449	2.2
102.51205	0.8
113.02445	1.8
119.03533	2.8
125.95345	0.9
161.04468	1.1
179.05605	3.4
191.01962	0.9
215.03220	4.4
341.06952	1.7
341.10849	21.2
342.11301	1.5
374.71222	0.9
377.08533	100.0
378.09000	4.8
439.72278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01372	6.0
60.99300	1.3
67.01884	6.4
69.03458	1.7
69.99402	2.0
71.01388	5.5
72.99292	0.7
73.02925	1.1
75.00868	2.6
81.03453	1.8
83.05015	2.0
85.02943	12.1
87.00874	6.9
89.02439	1.4
93.03455	38.8
95.01402	1.1
99.00883	1.8
101.06069	17.5
105.03454	3.1
108.02148	2.3
109.02939	3.2
111.00900	1.0
111.04513	6.2
113.02448	3.8
117.01961	0.9
117.03450	2.1
123.04530	1.8
125.76276	0.7
127.04002	3.3
133.02956	19.8
134.03741	15.9
135.04517	2.4
137.02432	3.0
149.06076	2.3
155.03523	4.6
159.04536	2.2
169.66771	0.8
173.04541	100.0
174.04883	1.7
177.01909	8.4
178.02629	1.2
185.02408	2.1
191.05602	78.9
192.05939	2.2
193.05009	12.9
215.05614	3.0
249.06017	2.7
250.06436	1.4
265.05096	2.2
266.05853	4.0
268.07538	1.0
277.05148	1.0
281.08173	1.5
283.09805	1.7
292.03766	0.9
293.04587	4.8
294.05298	9.8
299.09109	0.9
307.08353	1.3
309.07614	5.1
327.08713	2.4
335.05502	1.8
338.04553	3.9
339.04922	1.6
351.07181	11.4
351.12888	33.2
352.07529	1.6
352.13269	1.2
353.06631	44.2
354.06897	3.4
367.10312	33.0
367.14914	1.7
368.10614	1.4
473.69095	0.8
501.13992	6.6
521.20374	1.3
527.11902	45.8
528.12280	4.4
545.13226	1.8
719.17499	5.4
720.17157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52468	0.5
58.56409	0.4
59.01364	0.6
68.36809	0.4
70.13412	0.6
70.13720	0.7
71.01379	11.9
78.01094	0.7
84.98112	0.4
89.00310	1.0
91.01903	0.6
106.00605	1.4
115.00370	6.8
121.02948	25.4
123.00887	1.2
127.00417	0.5
138.03227	3.2
139.69600	0.4
153.05560	23.0
154.05914	1.1
173.04515	0.5
182.02217	3.3
191.05554	1.0
194.98990	0.5
197.04533	100.0
198.04935	3.4
313.05646	8.6
353.06726	1.2
353.75330	0.5
662.35742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28368	0.8
58.37783	0.7
59.01377	8.8
61.98788	2.4
62.46664	0.7
69.03448	4.3
70.27800	1.8
71.01379	5.2
71.04996	1.9
71.39063	0.7
80.02631	1.8
81.03429	1.4
83.01370	1.1
83.05016	5.2
84.02137	1.7
85.02923	2.0
87.00853	1.5
89.02444	3.7
95.01344	1.1
95.04977	1.2
96.25137	0.7
97.06493	1.2
101.02438	4.8
104.62515	0.8
110.17889	0.8
111.04530	0.9
113.02385	2.5
119.03488	1.6
123.08081	1.6
125.09674	3.4
135.08107	1.1
137.09709	1.3
151.11223	2.7
153.12827	1.8
154.79510	0.8
161.04485	2.8
161.09727	5.2
162.54199	0.7
163.11282	4.6
165.12784	2.8
179.10793	10.6
191.10632	1.3
197.11818	94.5
198.12088	2.6
203.77313	0.7
209.11818	76.8
210.12085	2.4
212.59625	0.7
223.09712	1.5
227.12820	4.2
228.13368	0.8
237.14894	1.0
241.10796	4.6
253.09297	3.6
253.11739	0.7
414.08966	0.8
477.19589	1.8
687.32306	100.0
688.32666	13.1
719.34973	31.0
720.35431	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36674	0.9
51.75946	1.1
57.03431	1.3
57.37814	1.0
59.01379	17.2
61.98839	5.4
65.59702	0.9
69.85306	1.7
71.01380	9.1
73.02945	2.6
80.02662	3.1
81.03452	3.4
82.95416	2.4
83.01370	1.8
83.05021	8.2
84.02187	1.9
84.95131	2.6
85.02949	3.4
87.00859	1.5
89.02435	5.5
93.03481	1.6
95.01406	1.1
95.05016	1.5
96.96018	1.1
97.06570	1.1
101.02437	7.6
101.20097	0.9
111.00907	1.0
111.70200	0.9
113.02450	4.5
116.92885	1.1
117.92883	1.5
119.03509	1.8
125.09757	1.2
125.49000	1.0
126.73043	0.9
130.10690	1.0
137.02470	1.0
139.04034	2.2
151.11293	3.1
153.12833	1.5
155.03445	1.1
161.04523	3.3
161.09697	1.3
163.11292	6.7
165.12880	5.0
169.12335	33.1
171.10275	3.0
173.04510	1.3
181.12535	1.1
191.05684	2.5
197.11823	66.2
198.12137	2.0
199.09798	1.4
205.08775	2.3
209.11824	100.0
210.12239	5.4
210.70721	1.0
218.42758	0.9
223.09740	2.4
227.12865	9.2
253.09389	5.6
314.19363	0.9
325.86145	1.1
474.92941	1.1
477.19904	2.2
535.31329	2.8
669.31335	1.2
687.32349	65.5
688.32660	9.2
719.34949	80.4
720.35358	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	719.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17233	0.3
59.01375	10.1
69.37901	1.5
71.01378	1.0
73.02925	0.6
80.58856	0.4
85.02935	0.8
87.10536	0.3
93.03422	0.5
95.85315	0.4
96.96003	0.4
101.02428	1.2
103.44541	0.3
113.02438	0.4
115.80176	0.3
125.02425	1.4
146.06049	0.3
161.02443	0.4
162.01901	0.3
191.05563	1.9
241.82852	0.3
251.99825	0.3
277.19980	0.4
335.22296	3.0
439.02438	0.4
479.26517	0.7
497.27530	100.0
498.27930	9.2
528.04553	0.4
659.32898	2.7
738.54486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97989	0.3
55.01835	0.4
57.03444	0.4
59.01376	6.2
59.28244	0.3
61.98826	3.1
62.88958	0.3
69.33007	1.4
71.01378	3.9
73.02946	1.0
80.02669	0.6
81.03467	1.7
83.01389	2.8
83.05028	4.9
84.02171	2.1
85.02953	1.1
87.00892	0.5
89.02430	2.9
93.03451	0.4
95.05027	0.7
96.96034	0.9
97.02933	0.6
97.06596	0.7
101.02450	3.1
109.06568	0.7
113.02473	2.1
119.03522	0.7
125.06033	0.7
125.09715	3.5
127.11265	0.6
135.08180	1.2
143.03487	0.4
147.11821	0.8
161.04550	1.1
163.11287	5.0
165.12846	3.1
171.10286	2.6
173.04506	0.4
176.64551	0.4
179.05615	0.6
181.12346	0.9
191.05600	1.1
191.10748	2.9
197.11876	1.3
199.07732	0.5
199.13351	0.4
207.10243	0.6
209.11819	100.0
210.12144	5.0
211.13486	0.8
223.13441	0.9
225.11443	0.5
226.12161	0.8
227.12878	10.4
228.13214	0.5
235.08209	3.8
241.14395	1.2
253.09261	13.3
273.17062	87.6
274.17432	5.2
429.72733	0.4
445.20764	1.8
465.28604	1.7
483.29761	0.4
501.30804	0.6
509.26016	1.7
522.53717	0.3
555.31482	0.4
669.31647	0.4
687.32764	0.5
719.36292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.6
61.98827	1.7
62.66255	1.6
69.03452	2.1
70.42020	1.2
70.58276	2.1
71.01010	2.4
71.01376	26.1
72.25240	1.2
73.02924	4.6
83.01363	3.2
85.02940	5.7
85.39733	1.5
87.00864	5.5
89.01925	2.1
89.02444	23.3
97.02934	5.6
99.00886	2.4
101.02434	23.0
105.39228	1.4
113.02425	10.1
119.03483	6.4
119.94628	1.4
125.02428	9.1
131.03479	2.4
143.03464	4.4
150.90988	1.5
155.04959	1.7
157.56354	1.3
161.04515	5.9
179.05591	5.7
185.84784	1.5
188.63692	1.4
205.79668	1.3
217.28931	1.4
221.06415	2.0
235.08220	9.7
253.09142	3.2
279.23270	76.0
280.23636	6.7
287.07663	3.7
305.08707	5.5
339.69333	1.4
397.13486	100.0
398.13477	7.5
415.14520	32.7
416.14587	3.1
643.92999	1.7
677.37256	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	720.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28188	0.8
58.94624	0.8
59.01381	37.8
61.98830	4.5
69.03443	1.1
71.01382	25.2
72.99300	1.8
73.02948	3.9
79.95882	0.8
81.03447	1.4
83.01395	2.2
85.02946	3.4
87.00884	5.0
89.02444	23.1
93.03448	0.8
96.96056	0.9
97.02962	2.8
99.00871	1.9
100.58679	0.9
101.02438	19.3
108.24564	0.8
111.04511	1.0
113.02436	8.7
119.03492	5.9
123.74251	0.8
125.02451	8.5
143.03487	3.6
161.04539	4.5
166.88106	0.8
179.05669	4.8
221.06706	2.3
235.08179	9.6
253.09352	1.6
263.07651	1.0
279.23282	77.8
280.23477	6.0
287.07684	3.1
305.08722	3.8
323.09821	0.9
379.12766	1.0
397.13489	100.0
398.13861	7.4
415.14563	32.3
416.14685	2.8
450.96616	0.9
677.37299	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	720.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65056	0.2
51.76772	0.2
52.88866	0.2
53.17069	0.2
56.02021	0.3
59.01366	1.0
81.03448	2.8
82.06622	0.3
83.05025	8.8
115.13692	0.2
125.07169	0.6
137.85103	0.3
143.94099	0.2
161.91142	0.2
171.66855	0.3
191.05620	0.3
207.14970	0.7
223.39035	0.2
224.17676	1.2
225.16051	8.5
242.18785	0.4
259.36362	0.2
290.27057	0.3
309.21841	0.8
333.22968	0.6
341.29123	0.3
367.26834	1.3
396.71793	0.2
433.31564	1.0
443.54242	0.3
450.34259	0.8
451.32803	6.6
452.33093	0.3
532.11261	0.3
550.43713	0.7
593.44202	0.5
657.76636	0.3
659.48651	1.5
677.49640	100.0
678.49890	8.8
720.50293	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	721.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78627	0.4
54.11000	0.4
59.01376	0.4
67.01878	0.4
71.01383	0.6
82.10981	0.4
83.05030	0.7
85.02948	3.5
87.00874	0.9
89.03991	1.5
93.03450	3.0
98.22625	0.8
106.30519	0.3
111.04539	3.6
117.03465	7.6
126.27235	0.5
127.04008	1.0
129.01913	0.4
133.03000	0.6
134.03745	86.1
135.04170	2.2
137.02455	0.8
149.06087	7.8
149.07216	0.6
155.03516	3.8
161.02469	1.0
171.03000	0.4
173.04559	5.8
178.02695	0.6
179.03552	1.2
187.23083	0.3
191.05617	44.1
192.05890	0.9
193.05052	100.0
194.05414	4.0
249.91115	0.4
288.09747	0.3
304.55994	0.4
351.06827	0.4
353.08786	5.1
354.09222	0.5
367.10318	44.9
368.10693	3.8
583.40570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80959	0.5
53.01326	0.4
59.01399	1.1
67.01900	1.6
69.19203	0.9
69.19605	2.2
71.01399	2.1
73.24140	0.4
79.20493	0.5
83.05042	1.2
84.91197	0.5
85.02959	2.8
87.00906	1.0
87.19265	0.5
89.03974	1.6
93.03461	11.7
105.03470	1.1
105.32043	0.5
109.02980	1.0
111.00887	0.5
111.04521	5.1
117.03458	7.3
120.02114	0.5
127.04032	1.2
128.98215	0.4
133.02959	7.9
134.03752	82.1
135.04543	24.8
136.04868	0.8
137.02457	1.9
149.06091	7.1
154.48540	0.4
155.03520	4.9
161.02417	1.6
173.04549	38.8
174.04889	1.2
177.01892	3.1
178.02371	1.1
179.03508	23.1
191.05618	26.5
192.06003	0.8
193.05055	100.0
194.05409	3.4
351.06827	0.6
352.08038	0.6
353.08771	25.9
354.09076	1.7
367.10321	51.1
368.10529	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	721.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
67.01895	0.6
69.44064	1.7
71.01378	2.9
83.01366	0.7
85.02943	1.7
89.02464	2.4
89.62108	0.5
93.03466	2.6
98.22569	1.0
101.02441	1.4
102.98628	0.8
106.04243	15.7
108.02153	0.8
111.04493	0.8
113.02435	0.8
117.83453	0.4
133.02907	0.6
135.04512	1.4
138.03201	1.2
149.02419	0.8
150.03188	1.7
152.01178	0.6
155.03485	0.8
161.02411	1.2
161.09720	38.9
162.10039	1.1
164.04755	1.1
173.04486	4.1
174.04878	0.7
179.03540	1.0
179.07042	0.5
191.05606	8.6
192.05940	1.5
205.08688	100.0
206.09053	3.9
208.03714	0.7
223.06102	2.5
247.09830	3.8
293.08768	5.4
294.05249	0.7
332.06342	0.6
335.07773	1.1
353.06763	1.5
354.06946	1.7
355.07166	1.9
367.14005	3.1
397.11456	0.8
499.18231	36.1
500.18518	2.4
527.11920	1.0
528.12115	1.1
529.12408	4.6
559.15259	2.8
614.73145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01378	100.0
61.98833	10.3
64.92220	1.0
69.52661	3.6
69.88599	0.9
71.01382	18.3
73.02935	6.0
77.64552	0.9
78.59851	1.0
81.03471	1.1
83.01379	1.9
83.05020	1.0
84.95084	1.0
85.02929	5.0
87.00860	1.3
89.02440	9.6
95.05012	1.6
97.02942	1.2
99.00837	1.5
101.02444	12.7
103.00385	1.0
109.06593	1.2
113.02448	7.6
119.03510	3.6
125.06096	1.2
138.06860	3.2
139.04027	1.9
139.07648	1.5
151.07622	2.9
152.08420	3.0
153.09213	19.9
159.11751	1.8
161.04538	5.9
161.09749	2.4
161.13345	13.6
163.11238	2.2
171.10222	4.3
172.08957	1.3
173.04590	1.2
179.05638	1.0
179.10710	1.6
181.12297	1.8
187.09735	1.7
187.11290	25.6
188.11615	1.2
189.09221	1.8
191.05602	3.5
197.11870	6.5
205.12320	34.6
207.10321	3.0
209.11819	14.1
223.13411	7.4
225.11340	4.7
227.12917	2.2
243.12320	1.3
244.89636	1.1
253.09288	1.6
293.21078	1.9
302.90320	1.0
303.10544	1.0
313.39395	1.2
367.17569	2.0
374.49011	1.0
385.18665	19.7
386.18594	2.3
455.26450	1.4
473.27570	3.5
515.28467	1.5
573.30731	11.3
617.29517	7.5
635.31494	4.6
653.31091	1.5
659.29993	1.9
677.33282	54.8
678.33313	7.8
685.32538	1.5
689.33569	2.4
698.84509	1.3
721.36371	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	721.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01377	100.0
59.73294	0.8
61.98832	12.2
63.79666	0.8
69.03448	1.1
71.01384	14.2
73.02956	2.1
81.03487	1.2
83.01394	1.3
83.05038	1.0
85.02956	3.5
87.00883	1.3
88.98819	0.9
89.02444	6.0
93.03455	1.9
97.02940	1.3
97.06640	1.1
98.21889	2.4
101.02436	6.3
103.00377	1.6
103.01498	4.3
103.81811	1.0
107.05013	1.3
113.02448	6.6
113.26569	0.8
119.03468	2.2
125.06169	1.0
135.04520	1.0
138.06874	2.4
139.03969	1.4
139.07709	1.1
151.07660	2.7
152.08438	2.5
153.09210	17.4
161.04584	5.3
161.09700	1.6
161.13332	12.7
163.11278	1.3
171.10310	2.6
173.04581	2.0
179.05592	1.1
187.11272	25.1
189.09172	1.6
191.05630	6.5
197.11829	6.1
201.11258	1.1
205.12311	36.8
206.12633	2.1
207.10220	1.0
209.11836	10.5
210.12141	3.1
223.13367	6.8
225.11339	1.4
227.12866	1.3
228.13362	1.0
229.56847	1.0
231.10175	1.2
237.15039	0.9
242.21304	1.0
247.13475	0.9
253.09332	1.7
312.98660	1.0
318.65189	1.1
343.86780	1.0
367.17609	2.2
370.84042	0.9
385.18610	20.6
386.19125	1.1
405.61719	1.0
503.32233	1.7
521.33435	1.1
563.33917	1.2
573.30719	14.4
574.30695	1.6
617.29492	12.1
618.30023	2.0
622.41766	1.0
635.30707	6.1
677.31738	24.8
678.32227	3.6
689.33606	1.9
715.50977	1.1
721.36023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03429	1.4
59.01078	1.5
59.01378	22.9
61.98825	7.0
69.03456	1.4
70.56718	0.5
71.01379	8.9
71.05013	3.0
72.99280	0.8
73.02943	2.6
75.56039	0.6
80.02679	0.9
81.03464	1.2
82.03853	0.6
82.95415	3.3
83.01402	1.2
83.05016	5.2
83.59595	0.6
84.92857	0.7
84.95103	1.7
85.02941	3.6
87.00864	1.5
88.27676	0.7
88.98816	0.9
89.02441	5.1
93.03444	1.5
95.05017	2.3
95.84273	0.7
96.95995	1.7
97.02934	2.9
97.06580	2.6
99.00877	17.2
101.02443	5.9
103.00372	2.1
109.06572	1.9
109.17648	0.7
110.03716	1.5
111.04561	0.7
113.02441	4.6
115.03966	0.9
116.92880	1.5
119.03487	1.6
119.05012	0.8
123.08133	2.4
125.02397	0.6
125.09709	7.0
125.61319	0.6
127.11273	0.6
135.08148	0.9
137.02422	1.6
139.04005	1.8
145.05063	0.9
151.07642	0.9
153.09180	1.7
153.12744	0.8
161.04582	2.7
161.09688	1.6
161.13364	1.3
163.11278	12.0
165.12857	1.9
169.12341	1.7
171.10262	13.2
173.04482	1.5
179.05530	1.0
179.10707	1.0
181.12328	16.2
187.11285	4.3
191.05594	2.5
191.10701	1.2
197.11874	3.3
199.09752	1.6
199.13399	8.3
201.04100	0.9
201.11357	0.8
205.12299	6.5
207.10255	24.5
209.11821	53.9
210.12169	2.3
225.11304	37.2
226.11646	2.0
227.12840	6.8
235.08083	1.3
243.12358	19.0
253.09244	3.8
267.66928	0.8
385.18765	3.5
407.19223	1.4
445.20557	1.2
461.20197	2.9
479.21167	5.5
563.33649	1.2
573.30420	1.4
617.30115	1.4
671.33038	2.7
677.31671	3.7
685.30695	1.4
689.33826	100.0
690.33990	7.6
721.36340	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	721.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
57.03436	2.9
59.01378	88.5
61.98840	8.2
69.03452	2.2
70.49868	2.3
71.01382	26.2
71.04999	4.2
73.02942	8.6
78.91888	3.1
81.03439	2.4
82.95428	1.9
83.01399	2.8
83.05016	8.6
84.02158	1.7
85.02962	8.5
87.00859	3.0
89.02436	13.8
93.03468	1.6
93.04723	1.5
94.77408	2.1
95.05045	1.7
97.02936	5.2
97.06604	3.6
99.00880	17.1
101.02448	16.1
113.02460	9.3
115.14310	1.7
119.03493	3.6
123.08160	2.0
125.02501	2.0
125.09742	8.1
135.08133	2.5
138.06801	2.4
139.04051	1.9
151.07626	3.0
153.09229	13.7
161.04572	5.0
161.13364	10.9
161.73790	1.7
163.11287	16.6
165.12903	3.8
169.12390	1.6
171.10284	5.7
179.05551	2.1
181.12335	19.7
186.45508	1.5
187.11273	20.8
187.77370	1.9
191.05548	4.4
191.10832	1.9
196.76913	1.7
197.11792	4.7
199.13402	22.9
205.12332	26.6
207.10234	41.6
209.11823	100.0
210.12146	2.0
223.13370	5.2
225.11316	60.2
227.12912	10.0
239.24925	1.5
243.12381	16.3
247.13434	1.9
253.09261	6.7
293.21005	1.7
385.18741	10.6
455.82175	1.9
461.20340	6.5
473.27560	3.8
479.21011	3.2
515.28894	2.9
573.31158	10.1
615.64465	1.6
617.30048	5.1
635.31110	3.1
653.31232	5.7
671.32587	5.0
677.33508	48.5
678.33978	6.9
689.33826	97.6
690.34100	5.6
721.36499	65.7
722.37048	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	722.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78131	0.8
55.01858	1.0
59.01377	38.2
61.41497	0.9
61.98820	3.6
67.39253	0.9
69.03460	2.0
71.01381	24.2
72.99313	1.3
73.02940	3.7
81.03430	1.4
83.01380	2.8
83.05038	1.0
84.55638	0.8
85.02972	5.2
87.00867	5.1
89.02438	22.2
95.01373	2.2
97.02930	4.9
97.57471	0.9
98.22601	2.6
99.00916	1.5
101.02431	19.7
111.04548	0.8
113.02443	10.5
119.03504	7.1
125.02444	7.7
143.03473	3.3
149.04578	1.1
156.37186	0.8
161.04529	4.0
179.05640	5.4
207.10269	1.0
209.11832	14.6
211.13406	0.8
214.09511	1.1
219.56516	0.8
221.06673	1.8
225.11209	2.4
226.11545	1.4
227.12740	1.2
235.08183	9.3
253.09338	3.8
277.21707	11.0
278.22095	2.0
281.24841	75.2
282.25192	4.2
286.63730	0.9
287.07648	2.5
305.08612	4.3
323.09668	1.7
397.13474	100.0
398.13638	6.0
415.14563	32.5
416.15085	1.9
679.38898	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	723.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
58.97504	0.3
59.01368	1.3
60.99292	1.8
62.34607	0.3
63.98542	0.3
64.12772	0.3
67.01885	3.7
69.03450	0.9
71.01382	2.0
77.03931	0.4
81.03470	0.6
83.05033	0.5
85.02945	5.9
87.00868	5.7
91.42100	0.3
93.03453	26.4
94.03810	0.4
95.05001	0.5
99.00886	0.5
101.02470	0.4
105.03448	1.5
107.05022	1.2
109.02934	2.0
111.04517	4.9
123.04503	0.6
125.02444	0.3
127.03999	1.4
129.01892	0.6
133.02943	20.9
135.04526	1.7
137.02437	0.3
149.02351	0.4
150.03171	0.6
151.04002	1.2
155.03513	0.9
157.93802	0.3
161.02440	1.1
162.05597	0.4
171.02989	0.3
173.04536	17.1
177.01907	4.8
179.03467	0.8
191.05597	100.0
192.05971	2.8
195.02963	5.1
206.04482	0.4
215.05600	5.6
262.97101	0.3
273.83035	0.3
307.08163	0.6
351.07162	15.7
352.07791	0.5
353.08731	10.8
354.08838	0.5
354.47168	0.3
369.08212	24.8
370.08789	1.2
456.49252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95981	0.4
56.18937	0.5
58.68107	0.4
59.01370	1.0
61.98824	41.6
69.10683	0.9
69.11077	2.6
71.01395	0.6
71.05009	0.6
85.02980	0.7
93.03451	2.3
95.56114	0.4
96.95997	1.4
98.21902	1.3
98.95591	0.7
101.20892	0.4
133.02962	0.6
144.04671	0.5
146.06107	1.5
146.08223	2.3
155.04962	0.7
158.03717	0.8
160.01691	0.7
161.02382	0.8
164.03537	2.6
167.04990	2.6
171.04510	1.3
173.04521	1.1
173.05952	0.6
179.05008	0.6
180.05806	0.5
181.06592	0.6
182.03693	2.0
183.04448	2.3
184.05255	0.8
186.06721	0.6
191.05562	4.3
195.04492	4.8
196.05251	3.5
197.06036	1.9
199.04024	2.2
209.05978	1.3
211.04005	6.4
212.03058	0.5
212.04749	3.6
213.05550	1.9
220.03804	0.6
223.04001	5.1
224.04758	6.0
225.05440	2.7
226.06300	1.7
227.07024	0.8
237.05450	0.8
238.06427	0.7
239.03474	12.3
239.07054	4.7
240.04259	17.5
241.04990	3.4
242.05739	1.4
250.89862	0.4
251.03529	0.6
251.71669	0.6
252.04271	2.7
253.05034	4.4
254.05762	1.5
255.06548	3.9
257.08148	3.5
267.02951	16.3
268.03714	14.7
269.04306	1.0
277.12244	1.9
281.04501	4.8
282.05304	20.1
283.06082	43.5
284.06348	1.9
300.08777	1.8
301.07181	1.5
352.10693	1.0
360.09189	4.2
392.84070	0.5
431.12802	2.6
445.11362	100.0
446.11591	6.0
463.12469	9.2
484.28473	0.5
522.14789	0.9
543.15332	0.6
561.19147	4.3
562.19629	0.5
689.11908	0.5
723.23138	4.8
745.66223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	5.4
59.01378	1.0
63.85409	0.6
66.03484	0.7
71.01374	1.6
74.02477	15.3
78.54072	0.7
82.02998	1.9
84.04543	0.8
85.02979	0.8
86.02467	5.7
86.06101	1.3
86.99109	0.9
87.05607	3.8
88.98273	0.7
90.00137	1.6
92.78780	0.7
93.03460	1.9
96.96021	1.3
97.04063	0.9
99.05640	12.2
101.07188	2.1
102.05611	1.4
105.37762	0.8
109.04062	2.6
111.05598	0.8
112.04095	1.0
113.03584	0.8
116.01768	1.6
121.02962	1.6
123.04497	1.0
125.03557	1.8
127.04115	1.2
127.05134	2.7
128.03535	29.3
135.05624	3.5
141.06689	2.9
143.04617	39.8
145.06197	1.9
146.04611	3.4
153.05574	1.6
153.06682	2.9
160.00735	13.1
166.09850	1.6
167.04620	3.0
167.08250	2.8
171.04230	0.8
177.03401	4.4
179.04599	7.2
181.06166	1.2
185.05637	1.7
191.05537	4.2
192.07741	0.8
197.04575	2.9
210.08813	8.7
242.07948	1.0
254.07816	11.5
272.08862	23.4
288.06598	8.4
306.07651	100.0
307.07922	2.5
320.09296	0.9
337.09302	1.2
463.71204	0.9
532.42126	0.7
536.22870	0.7
549.27325	0.8
631.44031	0.8
645.04541	0.9
723.28949	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	723.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22724	0.3
57.03448	0.4
58.02975	3.7
59.01372	0.7
65.99847	33.7
67.03013	18.0
67.03308	0.2
68.03326	0.3
69.46082	0.5
69.46425	1.1
72.06451	0.3
82.01705	0.5
88.69432	0.3
91.03007	0.8
92.02534	1.2
93.03449	0.4
104.02560	0.5
105.03330	3.1
106.04119	2.4
109.02972	0.7
109.04073	2.5
113.02451	0.3
120.02051	2.5
122.03572	0.6
124.05164	0.4
125.02443	2.5
128.03455	0.4
134.03603	48.0
135.02008	0.6
135.03908	0.7
135.09256	0.3
136.05161	0.7
137.02472	0.6
143.04501	0.4
147.03152	0.3
147.69553	0.3
148.03918	0.4
153.10355	1.2
161.02461	0.9
161.04655	0.3
162.10297	0.4
164.11906	0.9
167.08215	0.7
171.06807	0.5
173.05959	0.4
175.02586	1.2
180.11375	0.9
181.48351	0.3
189.11421	1.0
191.05632	0.9
199.09932	0.4
215.09383	0.5
216.12514	0.8
217.10910	8.1
219.12456	1.0
222.12492	0.4
224.71104	0.3
227.07166	1.2
234.13582	1.5
245.08145	0.4
247.11986	7.0
274.13126	0.4
276.14578	1.5
285.13489	0.4
286.20340	0.5
289.07193	2.5
306.07770	0.6
330.19348	7.6
331.20032	0.5
347.22314	0.5
371.22235	0.8
389.23056	32.7
390.23264	2.0
431.22723	0.3
433.22012	100.0
434.22290	7.1
494.40826	0.3
661.27570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51339	4.6
58.68863	5.0
59.01377	59.2
61.98828	72.2
62.06598	3.9
63.93294	4.8
71.01385	28.0
73.02928	5.6
86.94461	4.3
87.00896	6.1
88.98830	6.6
89.02422	7.7
93.03453	11.0
96.96005	4.9
98.21799	11.0
99.00876	7.1
101.02449	14.4
103.01498	6.4
109.06602	8.9
113.02446	7.6
116.92831	6.7
139.03970	6.5
148.05324	5.3
163.11331	8.2
171.10231	10.0
173.04489	10.1
191.05586	28.8
197.11784	18.4
197.13506	5.5
199.09891	7.3
207.10283	38.9
209.11813	45.5
210.12195	5.8
223.09688	4.9
225.11325	25.3
235.08119	6.6
253.09064	4.8
363.20071	5.5
397.32431	5.0
420.66760	6.0
443.62265	5.6
461.19943	9.7
514.85492	6.3
625.28595	25.6
643.29791	22.1
651.29944	21.4
669.31061	27.5
679.34747	7.0
687.32257	100.0
688.32434	8.0
723.29590	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01379	42.9
67.01878	1.5
69.03455	25.5
69.68712	2.1
70.88348	0.8
71.01381	26.3
73.02950	1.1
75.00867	1.4
81.03394	0.6
81.25377	0.6
83.01382	1.3
85.02946	6.5
87.00858	2.0
88.56168	0.7
89.00338	0.6
89.02444	28.0
93.03461	5.5
95.01387	1.9
95.05033	1.2
96.95950	0.8
97.02951	36.7
98.22599	1.4
99.04517	2.5
101.02444	12.1
105.03460	1.9
113.02435	8.9
115.00356	1.6
119.03501	9.6
119.69759	0.7
121.02953	8.2
121.06584	1.6
123.04529	8.6
131.03487	0.9
137.02486	1.0
140.19435	0.7
141.01959	2.8
143.03499	0.9
149.06078	14.7
153.05583	6.6
155.69261	0.7
161.04579	1.3
165.92276	0.6
167.03477	1.1
167.07135	4.9
170.63570	0.7
173.04547	1.3
179.05656	3.4
182.02188	0.9
191.05667	2.1
193.03268	1.5
193.05049	30.8
197.04550	25.8
198.04884	1.4
232.53146	0.8
249.06224	0.7
267.07394	1.0
313.05551	1.1
349.11362	6.9
349.15161	1.2
372.20255	1.6
373.11383	100.0
374.11670	5.2
500.33527	0.8
529.71655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.39632	0.5
61.98830	1.0
69.03462	0.6
71.01369	6.3
73.02956	1.3
81.03454	0.6
83.01383	1.0
83.05026	3.0
84.95152	0.6
85.02962	1.4
87.00881	1.9
89.02447	4.7
93.03466	1.0
95.05045	0.9
97.02949	0.6
97.06611	0.6
98.21880	1.1
99.00882	0.7
101.02434	3.6
104.93394	0.5
111.00876	0.6
111.92226	0.6
113.02442	4.3
119.03525	2.5
127.11308	1.3
129.12480	0.5
135.04555	1.0
139.04034	1.5
143.03532	0.9
148.08997	0.9
159.03030	0.9
161.04523	2.9
161.09740	0.9
161.13330	5.9
163.11337	2.2
165.12852	1.3
167.84708	0.6
171.10342	2.5
173.04514	1.1
179.05646	1.7
181.12383	1.2
185.13390	2.3
187.11281	19.7
189.09180	0.8
191.05573	3.0
192.69179	0.5
199.13315	0.7
201.11334	16.2
201.13110	1.0
203.14537	2.2
205.12318	11.5
207.10333	2.1
209.11816	59.1
210.12231	1.3
219.13972	0.9
219.94621	0.7
225.11440	2.0
227.12880	7.7
229.12328	9.0
235.08199	1.4
247.13391	5.9
249.11453	1.5
253.09250	4.9
259.13480	1.8
277.14590	2.4
289.14520	0.9
307.15488	4.2
367.17920	1.6
437.20621	1.0
445.20508	2.6
525.30426	0.5
575.32355	2.0
619.31177	3.5
633.31464	1.2
635.34528	1.2
637.32355	3.4
661.30725	1.3
679.33228	16.5
680.34113	1.5
687.33429	1.1
705.32581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.69973	0.4
60.01702	1.0
69.54501	1.4
69.54913	0.8
71.01375	4.3
73.02975	0.8
83.01414	0.6
83.05020	2.2
85.02954	1.3
88.98811	0.5
89.02454	1.6
95.05088	0.6
98.11337	0.5
101.02431	2.9
107.05080	0.8
113.02469	1.9
119.03537	1.2
120.05831	1.1
123.08204	1.1
125.77911	0.4
137.02493	0.6
143.03542	0.5
159.08167	1.0
159.11809	0.8
161.04521	2.8
161.09752	1.4
161.13344	7.9
163.11327	2.9
165.12833	0.9
171.10274	0.6
172.48053	0.6
172.89682	0.5
173.04462	0.5
179.05650	1.3
185.09706	0.6
185.13400	0.9
187.11284	27.4
188.11623	1.1
189.09097	0.5
189.12891	1.5
201.11298	8.6
201.12851	0.7
203.14435	1.0
205.12331	11.9
206.12636	0.6
207.10445	0.4
207.13966	2.0
209.11815	40.4
210.12221	0.5
225.14961	0.6
227.12891	5.5
229.12302	2.9
235.08368	1.4
247.13310	3.0
249.11423	0.5
253.09273	3.0
264.41684	0.5
307.15646	2.0
387.20447	1.7
445.20920	2.2
575.32111	6.5
575.40155	0.6
619.31293	4.6
635.34442	1.0
637.31970	3.1
655.04724	0.6
679.33264	13.5
680.34174	1.8
711.27386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83628	0.4
54.96371	0.3
56.23936	0.4
57.03446	0.4
59.01377	100.0
59.50383	0.4
61.12980	0.4
61.98825	1.7
71.01370	2.7
73.02937	0.7
83.05038	0.4
84.14905	0.4
85.02972	0.8
87.00893	0.5
89.02480	1.3
95.05100	0.6
101.02456	1.7
107.05025	0.9
113.02467	1.8
119.03512	0.7
120.05775	0.5
123.08156	0.6
155.00594	0.4
159.03053	0.5
159.08359	0.6
159.11769	0.5
161.04556	2.0
161.09724	0.7
161.13358	5.9
163.11287	1.1
172.08984	0.5
179.05585	1.0
187.11281	19.6
189.09227	0.8
189.12923	1.5
191.05730	1.3
201.11339	0.4
205.12329	10.1
206.12767	0.5
207.06569	0.5
207.10159	0.6
207.13998	1.5
209.11852	2.6
223.79060	0.4
229.12383	1.0
247.13416	0.6
249.11501	0.5
307.15738	0.4
387.16251	0.7
387.20490	1.2
442.00601	0.5
575.32367	4.5
619.31354	2.9
620.31854	0.5
635.34631	0.9
637.32056	2.2
679.33368	10.3
680.33875	0.8
723.35480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.5
61.98831	3.2
63.05289	0.3
71.01384	2.7
73.02958	0.9
81.03445	0.5
83.05047	0.6
85.02954	1.6
87.00874	0.4
88.98808	0.4
89.02448	1.5
93.03479	0.5
95.05023	0.4
96.96075	0.3
99.00931	0.4
101.02438	2.0
103.00385	0.9
107.05034	0.7
108.25001	0.3
109.06615	0.3
113.02431	1.6
119.03538	0.7
123.08187	1.3
135.04515	0.4
139.04034	0.6
157.06589	0.5
159.08150	0.3
159.11862	0.6
161.04576	1.3
161.09769	1.2
161.13362	6.4
163.11305	1.2
171.10374	0.3
179.05582	0.6
187.11279	19.1
188.11647	0.4
189.09248	1.2
189.12869	1.1
191.05672	0.8
203.14391	0.4
205.12317	10.0
206.12665	0.5
207.10252	0.6
207.13940	2.2
209.04590	0.3
209.11880	0.4
225.11314	0.4
225.14899	0.5
231.10292	0.6
236.96262	0.3
249.11284	0.5
311.41388	0.4
386.19260	0.3
387.13065	0.5
387.20322	1.4
478.73151	0.4
513.97168	0.3
575.24707	1.0
575.32477	4.6
576.33173	0.6
601.30054	0.5
619.31274	4.6
635.34485	1.1
637.32275	2.7
679.33417	11.5
680.33997	0.9
723.36884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.6
59.01372	41.7
61.98832	77.7
65.43290	10.4
71.01380	28.4
72.06358	10.4
75.32035	9.3
78.91888	9.3
80.87272	11.0
85.02973	14.7
88.54506	10.1
93.03466	12.7
101.02429	11.0
109.06583	15.6
112.23036	10.6
123.24200	9.1
163.11272	12.4
171.10361	13.7
191.05634	43.6
197.11858	20.6
204.94931	12.2
207.10318	30.0
209.11839	100.0
225.11363	32.9
253.09282	14.1
287.62537	9.5
291.96756	10.5
383.46689	9.6
427.26062	10.2
433.81665	10.0
437.92780	11.0
637.31775	13.6
651.29913	24.1
669.31482	15.9
687.31512	12.4
723.33545	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	723.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34634	8.7
59.01374	41.2
61.98831	79.3
70.45080	19.4
71.01378	74.4
98.75713	9.5
124.40995	9.3
125.29748	9.4
171.10260	40.6
201.11328	19.5
207.10371	16.2
209.11795	100.0
220.09386	10.9
225.11328	19.9
253.09142	14.1
339.62186	10.3
352.20447	11.1
357.76782	10.2
371.38409	11.0
723.33978	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
58.00562	0.5
59.01378	13.7
61.98824	1.0
69.05936	2.3
71.01381	2.1
73.02934	0.7
78.49969	0.3
79.47444	0.4
80.02674	0.9
81.03442	1.0
81.40955	0.3
83.05019	4.0
84.02159	0.9
85.02944	0.8
87.00865	0.7
89.02439	1.9
92.16241	0.3
93.03466	0.5
95.05012	0.8
101.02446	2.3
113.02433	1.3
119.03484	0.7
121.54536	0.3
123.53136	0.4
125.09665	0.7
127.11277	1.2
128.91766	0.3
135.08214	0.6
137.09645	0.6
139.04030	0.8
143.35359	0.4
155.10735	0.5
161.04524	1.2
161.13301	0.4
163.11296	3.0
165.12848	2.1
171.10286	1.2
181.12328	0.5
187.11230	1.9
191.05681	0.7
191.10840	0.8
199.09756	0.8
201.11320	19.8
202.11627	0.9
205.12328	1.1
209.11829	100.0
210.12154	3.9
221.86984	0.4
227.12881	14.7
228.13094	0.3
229.12448	0.5
235.08238	2.8
237.95619	0.3
253.09265	7.7
356.41638	0.4
375.21945	0.8
392.24530	0.3
392.29877	0.4
393.22592	0.4
419.18945	0.6
437.20319	1.2
445.20755	4.9
446.21271	0.4
449.44623	0.4
495.47787	0.4
525.30347	0.6
575.24628	0.5
606.13885	0.4
611.30719	0.6
619.31091	0.7
629.31689	0.9
637.32782	0.9
679.34302	0.8
687.34326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98716	0.2
55.01874	0.3
57.03431	0.2
58.89566	0.2
59.01377	4.6
61.98820	1.1
66.93011	0.2
69.34456	0.7
69.34844	0.3
71.01377	3.1
73.02922	0.6
80.02663	1.1
81.03451	1.2
83.01382	0.5
83.05019	4.3
84.02151	0.6
85.02942	0.6
87.00855	0.8
87.26136	0.2
89.02449	1.9
95.05027	0.7
96.09465	0.2
97.02932	0.2
97.06581	0.2
98.22586	0.4
101.02438	2.5
109.06647	0.4
113.02422	1.5
119.03511	0.5
125.02409	0.3
125.06083	0.3
125.09724	0.2
143.03464	0.5
155.86375	0.2
157.04971	0.2
161.04619	1.1
163.11284	3.0
165.12825	1.9
179.05611	0.5
181.12349	0.5
184.18510	0.2
191.10747	0.9
209.11818	100.0
210.12151	4.6
227.12880	10.9
228.13309	0.4
235.08203	3.4
253.09253	8.9
254.09807	0.2
277.21713	70.1
277.99753	0.2
278.22067	4.7
293.21503	0.2
401.28268	0.2
445.20972	0.9
463.21909	0.2
465.47821	0.3
513.31012	0.2
723.44073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87007	0.1
55.01884	0.2
57.03448	0.2
58.00326	0.1
58.00592	0.2
59.01377	3.8
61.98810	0.3
66.65144	0.1
71.01379	2.3
73.02927	0.4
74.83801	0.1
80.02675	0.9
81.03449	1.1
83.01368	0.4
83.05022	4.5
84.02161	0.6
85.02956	0.5
87.00861	0.3
89.02436	1.9
93.03458	0.2
95.01406	0.2
95.05022	0.6
97.02945	0.2
97.06603	0.1
98.21857	0.2
101.02440	2.3
106.54955	0.1
109.06584	0.2
111.04535	0.1
111.08191	0.1
113.02451	1.3
119.03501	0.6
125.06057	0.4
127.07569	0.1
135.08202	0.6
143.03484	0.2
147.11832	0.2
161.04581	0.8
163.11288	3.4
164.11580	0.1
165.12860	2.2
179.05576	0.6
181.12352	0.4
186.05647	0.1
191.10812	0.9
199.13300	0.2
207.10153	0.1
208.26283	0.1
209.11826	100.0
210.12154	4.9
210.13806	0.1
227.12889	10.9
228.13150	0.5
235.08183	1.3
253.09265	7.3
254.09714	0.3
259.20419	0.2
277.21710	46.2
278.22052	3.1
279.22702	0.1
445.20764	1.0
463.21973	0.2
469.69336	0.1
513.30444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
59.01379	4.5
60.21576	0.2
61.98822	1.0
69.03464	0.3
69.49856	0.9
69.58972	0.2
71.01388	2.6
73.02943	0.8
80.02672	0.4
81.03458	0.8
83.01389	0.7
83.05025	3.5
84.02158	0.7
85.02952	1.1
87.00863	0.8
89.02444	2.0
93.03406	0.2
95.01437	0.3
95.05020	0.4
97.02928	0.3
98.21835	0.4
99.30589	0.2
101.02438	3.7
109.06598	0.3
109.30849	0.2
113.02456	1.4
119.03508	0.6
125.06060	0.4
135.08160	0.4
145.05048	0.7
161.04532	1.1
163.11299	2.6
165.12909	1.8
179.05557	0.3
181.12323	0.6
191.10789	0.7
209.11827	75.7
210.12149	3.6
225.11266	0.4
227.12897	10.3
228.13309	0.6
233.22829	0.4
235.08232	5.6
253.09293	8.8
254.09996	0.4
259.20645	0.3
275.20068	0.3
277.21719	100.0
278.22049	7.0
278.25150	0.3
279.23102	0.2
345.95480	0.2
380.25455	0.3
445.20862	0.6
463.21796	0.2
473.13986	0.2
513.30347	0.4
522.90448	0.2
531.40851	0.2
562.43066	0.2
691.23981	0.3
723.42059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.92866	0.3
57.03444	1.0
59.01379	7.8
59.70105	0.3
67.01890	0.5
69.03451	0.5
69.87739	0.6
69.88067	0.4
71.01007	0.6
71.01379	7.1
72.99310	2.8
73.02942	1.4
73.48332	0.3
75.00471	0.5
75.00871	7.9
83.01374	0.8
85.02947	11.3
87.00860	3.2
89.02430	2.2
93.03458	0.8
95.01377	3.3
99.00877	5.0
101.02453	0.5
103.00378	1.0
111.00849	0.4
111.04580	0.3
113.02447	12.0
115.00352	0.8
117.01965	1.5
121.02955	44.8
122.03283	0.5
124.99985	0.3
125.02457	0.4
126.40079	0.3
129.01929	0.9
131.03494	0.3
133.02950	0.5
139.03894	0.3
144.04570	0.3
146.06114	4.7
147.06441	0.5
157.01445	0.4
169.08795	0.4
173.04500	0.4
175.02475	1.2
177.01941	0.3
178.08269	0.3
190.05093	0.8
191.05605	4.2
193.03520	0.8
200.43579	0.3
231.05081	1.5
249.03612	0.6
249.06128	9.4
250.06554	0.6
268.15598	0.6
352.10303	1.3
353.08841	1.1
371.09784	100.0
372.10114	3.8
372.20151	0.9
402.21271	0.9
405.84723	0.3
497.77863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03427	1.5
59.01374	9.3
67.01904	0.4
71.01373	8.2
72.99305	3.3
73.02950	1.7
75.00864	8.9
81.03407	0.4
83.01398	0.5
85.02941	10.9
87.00866	4.0
89.02434	2.0
93.03436	0.6
95.01383	3.2
99.00874	5.3
101.02496	0.4
103.00372	1.9
111.00842	0.4
113.02441	14.1
115.00360	1.2
116.50664	0.3
117.01911	1.7
121.02946	50.2
122.03278	0.9
128.03519	0.4
129.01920	0.6
132.67845	0.4
146.06082	3.9
157.01349	0.6
175.02458	1.8
184.04745	0.3
190.05084	0.9
191.05536	0.8
212.89903	0.3
225.94945	0.4
231.05087	1.7
249.06128	12.3
306.07590	0.7
321.85049	0.3
352.10303	1.0
353.08899	0.5
371.09787	100.0
372.10141	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	724.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
59.38470	0.3
61.25475	0.3
61.98803	0.4
71.01364	0.7
73.02955	0.4
74.27666	0.4
83.42143	0.3
85.02924	0.6
91.46503	0.3
93.03464	0.6
104.41436	0.4
106.17101	0.3
113.02496	0.4
121.02933	1.9
122.03733	2.2
123.04475	0.9
125.02425	0.6
130.76089	0.4
131.03778	2.7
132.02145	2.1
133.02969	1.2
134.03728	5.7
135.04497	0.5
144.04553	8.9
145.05284	0.9
146.06111	100.0
147.04532	0.4
147.06476	3.0
149.02457	2.4
149.06091	1.6
150.03221	11.3
151.03983	1.3
160.01654	10.6
160.07516	0.4
161.02455	2.7
162.03104	0.4
162.05669	0.7
164.04765	0.8
165.05556	10.0
175.03996	18.2
176.04416	0.5
178.02698	1.3
179.03468	0.7
180.04266	0.7
181.05087	0.9
188.07185	1.0
190.05086	15.0
191.05594	3.5
191.07086	0.7
193.05029	6.3
195.06604	3.0
204.06656	2.3
217.05074	0.5
219.79305	0.4
221.06050	0.4
235.06059	3.4
236.06433	0.5
247.06259	0.5
282.08926	1.1
283.06012	0.8
284.06580	0.4
290.10455	0.5
323.07471	0.7
334.09387	1.2
337.09268	17.8
338.09558	1.1
341.10254	3.6
352.10422	1.1
353.91574	0.4
354.44720	0.4
371.11298	1.3
389.12473	0.8
431.13629	0.6
484.16064	8.7
485.15228	1.1
496.12149	0.4
504.20395	0.6
515.15637	0.6
526.13617	1.3
528.15057	25.4
529.15674	2.7
533.16931	2.2
542.16846	0.6
582.16174	1.3
676.20087	0.9
680.23578	1.1
724.22394	3.9
725.22650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
60.99310	0.4
61.98846	0.8
67.01872	0.4
69.03438	0.4
71.01378	1.3
73.02927	0.7
74.72068	0.5
80.69599	0.3
81.03473	0.5
83.05031	0.8
84.55658	0.3
85.02451	0.7
85.02949	11.9
86.65875	0.4
87.00871	2.9
93.03457	4.8
94.10618	0.4
94.53807	0.3
96.95996	1.3
99.04497	0.6
109.02969	0.9
111.04503	1.5
127.03999	3.2
144.22493	0.3
159.04549	1.0
171.03059	0.6
171.04526	1.7
173.04544	1.6
174.03120	1.1
175.03899	0.5
183.56863	0.4
185.29605	0.4
187.03957	1.1
188.04771	1.6
189.05583	2.9
191.05603	100.0
192.05894	2.1
197.04584	0.4
213.46251	0.4
215.03494	4.8
227.03572	2.2
232.03568	0.4
233.04553	11.9
248.06207	0.4
267.94870	0.5
389.08640	0.7
407.09735	4.4
488.20667	1.3
504.20261	36.3
505.20483	3.4
506.21976	1.0
532.19751	3.1
550.20691	2.0
724.26208	1.2
737.16235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
62.25195	0.6
71.01376	12.9
78.01134	0.6
89.00346	1.6
89.02434	0.7
91.01887	0.6
96.95989	0.7
106.00571	1.8
111.00900	0.6
115.00358	7.3
121.02950	26.4
122.03259	1.0
123.00880	1.9
128.37093	0.6
138.03214	2.6
152.91776	1.6
153.05577	24.3
166.99847	1.0
170.85196	0.5
171.83939	0.6
171.99010	0.6
182.02229	3.9
197.04544	100.0
198.04857	4.4
229.54388	0.7
294.17014	1.7
295.17422	1.2
297.11890	2.4
313.05627	6.3
351.30637	0.7
412.06332	0.6
430.08771	1.1
705.76605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03444	1.9
59.01378	66.6
69.64144	2.8
69.64512	3.8
71.01380	47.5
73.02938	1.8
83.01413	2.4
85.02969	15.7
87.00866	4.9
89.02445	49.6
95.01374	5.0
96.96001	1.6
101.02443	27.9
111.00859	2.2
113.02448	29.3
119.03512	8.1
125.02441	2.2
129.01993	2.7
131.03531	3.0
143.03470	5.4
161.04558	8.9
179.05588	16.7
181.49290	1.8
203.05684	1.9
251.51144	1.9
254.80302	1.8
323.09650	3.5
341.10773	6.8
485.15201	16.4
503.16330	2.8
665.21442	100.0
666.21521	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	725.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
57.59066	1.2
59.01377	68.0
63.75587	1.2
64.95229	1.4
65.29739	1.2
70.25130	2.5
71.01382	48.9
72.99313	2.3
73.02945	4.6
76.00506	1.2
83.01389	3.5
85.02950	13.0
87.00880	3.0
89.02445	52.1
95.01396	5.1
97.02968	2.4
98.22518	1.4
101.02436	27.8
107.14651	1.3
108.11674	1.1
111.00901	4.8
113.02451	24.9
119.03498	9.6
125.02480	2.3
128.39671	1.4
129.01971	2.3
131.03505	3.5
138.73969	1.1
143.03481	6.6
161.04532	6.7
179.05626	14.9
190.53616	1.2
203.05440	1.9
277.00650	1.3
292.31110	1.2
323.09671	5.8
323.84879	1.5
341.10983	8.5
395.12070	2.4
485.15097	16.9
639.06268	1.3
663.27997	1.4
665.21460	100.0
666.21942	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	725.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38089	2.2
56.25631	2.0
56.90772	2.1
57.13625	1.8
57.52257	2.3
59.01385	11.8
61.98831	5.0
71.01385	7.6
73.02953	2.4
75.60435	2.4
83.05016	3.4
85.02962	7.5
89.02457	3.9
93.03465	12.9
96.96055	2.7
101.02468	2.7
108.02169	3.5
109.02941	3.9
111.04543	7.5
113.02465	2.5
119.01313	4.2
121.02973	11.0
133.06596	15.2
134.03717	7.2
135.04489	5.8
136.01666	50.6
137.02414	3.4
143.36281	2.6
143.76933	2.1
145.02953	4.2
147.00916	6.1
149.02470	12.5
149.06050	5.0
151.03990	28.9
155.03493	10.5
159.04526	3.6
161.02441	4.3
163.04057	2.6
164.04816	13.3
165.01984	2.7
173.04559	34.8
173.06024	4.4
175.00366	29.9
175.04024	4.7
175.07631	3.1
190.02722	65.7
191.03183	3.7
191.03996	2.3
191.05614	18.9
205.05043	61.3
223.06061	13.0
225.05336	2.7
251.07259	2.8
253.08624	3.5
263.07031	3.8
269.08203	3.0
275.07104	3.1
279.06583	5.8
281.08160	4.5
282.09128	3.4
291.06656	5.9
292.07391	3.8
293.08044	4.3
294.08994	3.8
295.09711	6.7
297.07904	12.0
297.10986	2.7
307.09702	9.8
308.10361	3.0
309.07690	20.8
309.11276	8.2
310.08194	3.0
310.11975	5.8
312.09995	9.8
322.12207	3.0
323.12759	3.9
324.10074	13.5
327.12396	15.7
339.12405	16.0
353.13809	5.2
365.13977	6.3
367.10303	78.9
368.10309	6.3
369.13300	5.1
381.13187	6.5
399.14319	4.0
429.13354	6.3
441.13177	18.2
444.15833	15.1
456.15729	21.7
459.18137	79.9
460.18610	7.6
471.18100	100.0
472.18198	12.0
489.19238	39.6
490.19473	3.0
551.19348	4.3
573.19275	4.3
665.21436	3.6
725.24518	65.1
726.24982	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	725.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
61.98820	1.6
65.00307	0.5
69.25352	2.4
71.01382	3.3
85.02969	1.7
87.00906	0.9
89.02428	0.6
91.01891	1.8
93.03443	1.9
93.56065	0.5
94.02479	0.5
98.22620	1.2
101.02440	1.6
107.05026	0.7
108.02181	0.9
109.02929	1.8
109.12121	0.5
113.02457	0.8
119.01398	5.5
121.02965	4.9
122.03730	1.2
123.04450	0.5
125.02505	0.6
134.03738	2.7
135.04527	1.0
136.01663	47.6
136.28537	0.5
137.02367	2.2
146.03859	0.6
147.00890	4.4
147.04509	0.8
149.02441	14.3
150.03094	0.7
151.04008	46.0
152.01120	0.6
152.04370	0.7
159.04477	0.7
160.05247	1.5
160.83626	0.5
161.02452	1.4
161.06082	0.5
162.03221	1.7
163.04025	3.4
164.04793	16.6
165.01918	1.6
165.05156	0.9
175.00362	37.7
175.03963	1.7
175.07629	0.6
176.00929	2.0
176.04784	1.7
177.01981	0.9
177.05559	1.0
178.38771	0.5
179.07158	3.2
189.01865	0.7
189.05463	0.7
190.02711	85.2
191.03284	3.9
191.05539	0.8
191.07146	1.7
193.01450	0.8
194.02249	0.6
205.05046	77.7
206.05400	2.9
208.03770	2.7
209.04475	1.5
223.06108	16.1
223.08286	1.0
232.03903	0.7
247.06116	1.8
267.06674	0.6
294.08969	0.8
312.09967	2.2
313.11017	0.6
327.12344	6.6
337.05731	0.8
342.10876	2.6
343.11868	6.0
352.07895	1.2
357.13443	12.0
358.13846	0.6
367.10309	100.0
368.10648	4.4
483.74048	0.5
665.20471	0.7
725.24487	45.5
726.24445	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	727.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65055	0.3
57.03441	0.4
58.17719	0.3
59.01366	0.7
69.03452	0.3
71.01372	0.9
85.02955	0.8
101.02427	0.4
113.02425	2.3
121.03001	0.4
122.03720	0.3
125.02444	2.0
127.34109	0.3
131.03745	1.0
137.02405	0.6
140.98587	0.3
144.04536	4.7
145.05333	21.2
146.06108	100.0
147.06441	3.0
151.03963	0.5
159.03191	0.4
160.04053	0.4
161.02380	0.5
161.04558	0.9
171.12737	0.3
177.01920	0.5
177.04297	9.1
190.05081	14.6
191.05475	1.7
200.03381	0.5
212.03270	69.1
213.03616	2.8
231.56874	0.3
284.05334	0.4
288.46851	0.4
308.11270	1.0
352.10312	19.4
353.10526	1.1
374.08447	12.5
375.08609	0.7
406.22046	0.4
565.14075	0.9
727.19604	24.7
728.19965	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	727.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.9
65.31626	0.1
68.87524	0.2
69.27673	0.5
79.88810	0.2
89.03967	0.3
106.04243	0.7
107.05052	0.2
111.00993	0.2
117.03471	0.7
118.16393	0.2
119.05018	0.3
121.02930	0.8
127.34412	0.1
132.02185	1.6
133.02959	2.9
134.03738	72.5
135.04596	2.6
136.01657	0.5
137.02440	4.7
139.04008	1.5
147.04520	0.3
149.02455	0.4
149.06084	18.2
150.03212	0.6
150.06390	0.3
151.04001	0.1
160.01651	3.6
161.02423	0.5
162.03236	1.1
163.03996	0.3
175.04010	1.9
176.04727	0.2
177.05579	0.6
178.02711	36.5
179.03462	2.7
191.05455	0.2
192.04288	2.4
193.05051	100.0
194.05397	1.9
207.06619	2.1
235.06119	0.4
280.77664	0.2
341.10291	0.2
354.14948	0.2
357.09830	0.2
371.11319	3.9
371.57739	0.2
533.16809	0.2
565.17114	28.6
566.17383	1.9
572.32428	0.2
675.06000	0.2
727.22473	3.2
728.22986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33068	0.2
53.30836	0.2
56.68519	0.2
58.96931	0.2
61.98811	0.2
69.28360	0.9
85.02978	0.2
89.03934	0.4
93.03462	0.2
95.90837	0.2
106.04272	0.5
107.39341	0.2
111.00919	0.2
113.02438	0.5
117.03423	1.0
119.05042	0.2
121.02956	1.0
132.02136	1.0
133.02966	2.7
134.03737	76.1
135.04445	2.2
137.02432	4.8
139.04031	1.8
147.04535	0.8
148.05273	0.4
149.06075	20.2
150.03241	0.6
150.06398	0.6
160.01665	3.9
161.02419	0.7
162.03259	1.2
175.03989	3.6
176.04803	1.1
177.01938	0.3
177.05553	0.7
178.02710	36.6
179.03445	3.0
191.07137	1.0
192.04256	1.8
193.05043	100.0
194.05397	2.8
207.06586	1.8
235.06105	2.0
325.53568	0.2
371.11313	3.2
400.02130	0.2
547.20374	0.2
565.17096	47.9
566.17468	4.1
607.18695	1.2
608.18365	0.2
727.21887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95319	1.0
59.01366	4.6
61.98812	3.1
66.29324	1.1
70.43807	1.0
70.44209	1.0
70.49863	2.0
70.50195	1.1
71.01395	1.3
78.12638	1.0
85.02962	1.9
88.98798	4.2
89.02453	2.0
96.96033	1.2
101.02451	1.9
113.02440	1.4
171.10239	1.4
191.05579	2.4
201.11299	26.6
202.11598	1.4
209.11818	100.0
210.12183	4.5
227.12895	23.7
228.13214	1.3
235.08191	4.8
253.09277	7.6
375.21774	2.3
419.19308	2.4
437.20105	3.7
445.20810	17.3
446.21051	1.5
463.21524	2.1
485.40051	1.2
495.91147	1.3
611.30383	1.8
613.33118	1.7
629.31616	4.4
637.31866	3.2
647.33118	2.1
673.33667	1.3
727.33105	31.3
728.33398	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	727.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
56.12469	0.2
57.03441	0.8
59.01376	100.0
60.01717	0.8
63.11764	0.2
63.41837	0.2
69.48151	0.2
71.01377	5.5
73.02946	2.1
75.64117	0.2
77.00959	0.2
77.12957	0.2
83.01396	0.7
85.02943	2.2
85.89101	0.2
87.00905	0.3
89.02441	2.3
93.03471	0.2
95.01398	0.4
96.96007	0.4
97.02940	0.2
99.00861	0.9
101.02441	5.7
103.29385	0.2
109.46101	0.2
113.02448	3.2
115.00385	0.2
119.03485	1.1
121.02998	0.4
129.01973	0.2
134.88239	0.2
143.03517	0.3
149.09674	1.4
153.05557	0.3
153.09242	0.6
159.03027	0.7
161.04559	3.1
167.10759	1.9
179.05595	1.0
182.02333	0.2
183.51630	0.2
189.09204	0.5
191.05736	0.5
197.04584	1.2
225.15050	0.4
233.08228	0.6
235.11853	9.5
236.12260	0.3
237.10023	0.3
243.16144	0.4
277.12909	12.0
278.13315	0.6
305.84000	0.2
356.57797	0.2
405.21295	1.7
543.37567	0.2
739.64709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.4
62.72556	0.8
71.43162	0.8
78.95901	54.2
89.75934	0.7
95.21213	0.7
96.96958	6.0
107.59304	0.7
152.99582	100.0
153.99944	0.9
155.52664	0.8
171.00592	4.1
173.02600	0.7
179.76501	0.7
214.87479	0.8
298.46530	0.9
365.72656	0.7
433.23541	38.2
434.23654	2.3
459.73642	0.9
549.72333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94167	0.4
55.01871	1.0
57.03449	1.1
59.01373	26.3
68.99845	0.5
69.03447	11.0
69.17108	2.9
69.26218	0.4
71.01379	12.4
73.02940	6.1
83.01385	2.9
85.02945	7.9
87.00861	0.7
89.02454	1.1
95.01396	0.9
98.00055	1.0
99.00893	2.1
101.02437	17.2
111.00903	0.8
113.02441	100.0
114.02758	1.7
125.02435	2.7
131.03714	0.5
132.04524	2.6
137.02386	0.6
143.04655	0.7
145.05319	1.9
146.06129	8.8
147.06438	3.5
156.04120	0.5
159.03020	1.6
160.04030	26.1
161.02475	0.6
161.04558	6.4
177.04189	0.5
190.05116	1.1
191.05545	1.4
207.08717	75.9
208.09074	2.8
212.03250	5.6
213.03564	2.5
235.11893	4.0
277.12820	2.1
321.11862	22.4
322.09259	13.1
322.12314	0.9
352.10254	1.2
353.10727	0.6
374.08563	0.7
375.08844	0.7
375.16632	0.6
406.22284	7.9
407.22195	0.7
421.26245	0.5
502.00665	0.5
683.97876	0.7
694.46252	0.6
728.19495	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	729.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23046	0.3
59.01360	0.3
59.91356	0.3
67.01879	0.3
69.03451	0.4
69.62405	0.3
71.01362	0.4
71.33432	0.3
81.03452	0.4
85.02944	2.8
87.00863	1.8
93.03458	2.6
109.02966	0.3
111.04552	0.7
127.04023	0.9
133.02950	3.2
134.03741	5.3
135.04518	23.5
136.04825	0.7
136.98604	0.5
155.03481	0.6
157.02724	0.4
157.05038	1.2
161.02441	12.8
162.02773	0.4
166.99620	0.7
173.04535	1.0
177.01920	0.4
179.03482	20.8
180.03825	0.7
189.01685	4.5
191.05592	21.0
192.06026	0.5
201.01675	16.3
202.01990	0.4
275.03772	0.3
353.08652	0.6
375.06931	100.0
376.07352	4.5
405.09830	0.4
415.25342	0.3
567.13159	2.6
596.37427	0.4
729.16217	2.9
730.16418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20439	0.4
59.01371	0.6
59.96912	0.4
85.02957	1.6
87.00854	1.3
93.03453	2.8
96.66894	0.4
97.67180	0.4
111.04505	1.2
113.02431	0.8
127.04013	0.8
133.02948	2.9
134.03754	5.4
135.04526	22.3
136.04907	0.6
136.98561	0.9
137.02428	0.5
137.06059	0.8
141.58945	0.5
155.03532	0.8
155.53047	0.4
157.02727	0.5
157.05048	1.2
161.02435	13.3
161.03722	0.9
161.06152	0.6
163.04050	0.5
173.04495	1.8
179.03491	17.6
189.01649	3.3
191.05611	19.5
192.05972	0.6
193.04953	0.8
201.01695	13.3
243.10312	0.9
244.26065	0.5
297.41107	0.5
306.07678	1.2
353.08804	1.2
375.06940	100.0
376.07303	4.0
405.15466	0.7
557.22119	0.5
567.13348	2.7
716.61963	0.5
729.16382	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	729.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11732	0.4
57.03434	1.1
59.01378	11.9
65.46120	0.3
67.01868	0.8
68.99810	0.6
69.03464	0.8
71.01379	9.3
72.99296	2.2
73.02924	1.7
75.00869	9.4
77.76810	0.4
83.01355	0.8
83.04963	0.4
85.02944	9.7
87.00871	4.0
89.02446	2.4
93.03448	1.4
95.01379	3.0
96.96013	1.0
96.97089	0.4
99.00884	6.0
101.02423	1.4
101.06076	59.4
102.06403	1.2
103.00371	0.6
109.02921	0.4
113.02444	15.2
114.05602	0.5
115.00362	1.4
116.92863	0.6
117.01926	2.0
119.05017	0.5
121.02956	1.0
124.89117	0.4
129.01926	1.2
132.64569	0.4
135.04517	0.7
153.05540	0.7
161.04529	0.9
163.03981	0.6
173.04539	3.7
175.02477	1.2
179.05602	0.7
191.05588	1.6
197.04544	2.8
205.07008	0.4
208.95300	0.4
231.05043	1.2
249.06100	9.3
263.11389	1.8
267.07239	1.1
291.10690	0.5
306.07520	0.5
333.11865	0.9
337.09128	1.5
351.12927	100.0
352.13254	5.1
377.14258	1.3
448.54498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21253	0.7
55.80037	0.6
59.01363	4.9
59.71112	0.7
61.98812	3.2
69.44926	3.0
71.01355	0.7
82.72928	0.6
83.05031	0.8
101.02375	0.7
191.05647	0.8
239.31279	0.7
244.13033	0.8
248.98692	0.8
312.40500	0.8
319.22693	2.4
463.27005	16.1
464.27206	1.3
481.28064	32.5
482.28650	3.7
523.29089	100.0
524.29388	14.7
565.30707	1.0
685.34454	1.0
693.49292	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	729.334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68419	2.3
59.01374	35.8
61.98823	14.6
69.28968	13.9
71.01384	15.2
73.02930	4.0
80.02676	2.4
80.78036	2.8
81.03467	4.2
83.05032	6.1
85.00403	3.5
85.02961	5.5
87.00868	4.0
87.09180	3.1
89.02444	7.9
93.03453	4.3
96.96008	3.3
97.02963	14.3
97.06601	4.2
101.02464	11.5
109.06589	51.8
110.03726	4.8
110.06925	2.7
115.01405	2.4
119.05033	5.8
121.06621	3.7
125.09727	9.4
135.04524	2.7
135.08192	5.4
137.02367	4.1
161.04504	3.8
161.09689	3.1
163.11331	28.4
171.10260	2.7
173.04579	7.9
181.12315	8.6
187.09840	3.7
191.05588	16.0
191.07085	2.6
197.11844	4.1
201.11310	9.8
207.10255	100.0
208.10674	3.5
209.11800	26.0
225.11333	53.6
226.11696	3.2
253.09259	12.6
263.12717	2.8
309.20688	5.4
314.21619	3.1
353.21338	3.6
387.21854	4.1
389.19513	4.0
397.20197	7.7
415.21088	17.0
419.43246	2.9
433.22375	7.7
443.18896	3.7
461.20102	12.2
514.92310	2.8
607.27374	16.8
623.30798	3.1
625.28564	29.9
626.29242	4.1
633.29108	12.7
634.29779	3.7
651.30170	53.6
652.30573	9.4
669.31195	37.5
670.31824	3.9
675.33618	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	730.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19116	0.9
59.01379	37.1
61.98833	1.9
69.03453	1.0
71.01373	16.4
73.02926	2.2
83.01390	1.3
85.02954	5.5
87.00867	1.7
89.02441	12.7
93.03460	1.1
95.01354	1.4
96.96008	2.7
98.22758	1.8
101.02450	8.9
106.06637	2.1
113.02446	7.4
119.03503	5.0
121.05345	9.7
122.06089	1.9
130.02948	1.1
132.04550	13.8
134.06113	10.8
135.04504	1.4
136.07726	2.1
139.03961	5.1
150.05556	2.7
152.07213	5.6
158.02463	3.5
160.04044	2.0
176.03511	4.1
179.82323	1.3
190.05072	10.5
191.05630	5.6
192.06668	9.5
222.83755	1.0
223.08762	2.4
225.05898	2.4
235.08757	2.2
239.08182	1.5
242.82640	1.0
247.08545	1.5
251.08226	1.4
251.12018	1.8
263.08163	2.0
265.09674	1.2
279.07983	2.3
279.11368	3.9
280.08527	3.9
291.07736	9.6
293.09244	1.8
295.10840	4.7
305.09027	1.7
306.10040	3.3
309.08768	3.5
314.12500	1.0
323.10364	21.3
324.10672	2.1
325.11899	2.0
337.11975	7.4
338.12698	21.4
339.13199	4.1
340.14172	2.5
354.04324	1.0
355.12872	2.7
357.14407	4.1
427.15112	1.1
444.70398	1.0
448.15973	1.0
486.16537	1.4
503.16736	2.7
517.18335	3.8
518.18976	17.3
583.16547	1.1
654.26569	3.9
686.29303	9.7
698.25562	7.5
730.28241	100.0
731.28632	9.4
754.82227	1.2
758.11774	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	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.13200	0.2
67.34560	0.2
70.64171	0.3
77.11340	0.2
94.10915	0.3
94.99785	0.3
97.13749	0.2
100.66251	0.2
128.09808	0.2
132.18596	0.2
161.29210	0.2
172.10684	0.3
174.43518	0.2
386.61691	0.3
631.27197	0.3
694.44440	0.4
731.39893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2682
Annotation	Shizukaol B
Peak:m/z	Relative Intensity
54.09459	0.9
55.95894	0.7
56.72973	0.7
59.01377	6.6
61.98821	0.8
65.99845	0.9
67.08531	0.9
71.01374	2.7
73.02909	1.0
74.02475	6.6
76.83982	0.8
82.01712	1.6
83.02520	6.1
84.00906	1.3
85.04073	1.2
89.02434	2.0
93.03455	5.0
95.02509	2.4
96.00905	5.5
96.04556	1.1
96.96020	0.9
97.00463	1.2
97.38593	0.7
98.01220	2.9
98.02475	1.7
98.22607	1.5
99.02012	1.5
100.00410	9.4
101.02434	2.0
103.93109	0.7
106.04279	1.4
107.05013	1.3
109.02930	0.8
109.04060	1.0
111.01989	1.5
111.05652	8.2
112.02765	1.6
113.02441	2.5
113.03571	5.0
113.07172	1.4
114.14803	0.9
116.02661	2.6
116.05079	4.1
117.03448	2.9
118.06629	2.5
119.04994	2.7
120.04582	1.1
121.02933	1.0
121.04012	0.7
123.01953	1.8
129.10301	1.1
130.78951	0.8
131.03763	14.8
132.04556	5.6
133.05331	1.8
134.06146	6.7
135.04536	1.0
137.07182	3.5
139.03941	1.3
139.08754	1.1
144.04546	3.3
146.06117	2.2
148.02734	0.8
153.06662	1.6
155.08258	53.7
156.08659	1.3
157.02536	5.6
157.05284	2.0
158.06125	1.1
159.03111	0.8
160.04036	7.1
162.05609	3.0
163.05164	1.0
163.08698	1.5
165.06668	5.3
165.10321	3.7
166.08755	1.9
167.08237	1.2
172.04016	2.3
173.07193	2.6
174.05583	3.7
177.10304	1.0
178.05110	2.9
180.07784	1.3
181.09818	2.5
186.05568	2.2
188.03583	1.1
189.06689	2.5
191.05644	1.6
191.08214	4.4
201.06659	3.6
209.09331	3.3
215.04631	2.0
215.08260	2.0
216.05370	8.6
217.06186	7.4
224.10449	1.9
235.07231	6.5
241.13457	1.7
242.11943	1.1
244.07632	1.0
248.10753	1.5
257.12903	4.9
260.04288	2.2
261.05109	2.6
262.05856	1.1
263.06616	1.9
264.10223	3.2
281.13037	0.9
287.08200	2.4
287.11774	1.1
288.08929	1.6
289.09912	1.6
290.08273	3.9
291.08875	1.0
292.09686	1.6
303.08002	1.6
303.11365	26.0
303.14752	1.6
304.11761	1.3
305.09546	1.1
305.13022	1.0
307.10635	1.4
321.12277	1.8
321.15640	5.6
359.17526	1.5
371.17142	1.8
422.15829	1.7
423.20169	2.0
477.21341	5.1
500.18234	3.0
511.19669	1.1
513.21283	1.4
546.24219	1.0
557.20471	5.8
612.24689	7.2
625.27814	3.6
643.28870	1.6
656.23322	1.8
669.27026	8.2
670.26959	1.7
687.27673	8.8
688.28741	1.4
713.25220	2.8
731.26758	100.0
732.27075	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15693	0.1
59.01387	0.5
69.28918	0.7
71.01389	0.2
74.48376	0.1
89.32734	0.1
91.05535	0.4
93.03454	0.2
98.22645	0.3
101.02446	0.2
119.05023	48.9
120.05384	1.3
121.02917	0.2
153.05542	0.2
161.04544	0.2
163.04002	100.0
164.04340	2.9
167.10789	0.2
191.05598	0.2
197.04472	0.7
205.05122	0.2
325.09256	9.7
326.09561	0.3
395.77670	0.2
405.21249	0.4
553.23712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
69.03471	0.3
71.05017	0.3
73.02944	0.5
78.06216	0.2
84.04568	0.3
85.06570	0.3
85.98579	0.2
86.06110	0.6
97.02957	1.1
98.03745	0.3
111.04522	0.4
112.04070	0.2
113.02422	0.6
113.95688	0.2
114.39863	0.2
115.04005	0.4
132.04550	0.2
137.51703	0.2
144.04543	13.4
145.04852	0.4
146.06129	0.8
147.11818	0.8
159.11674	0.2
160.02806	0.2
160.03998	1.2
161.04457	0.7
162.05605	100.0
163.05954	2.0
188.03568	0.6
191.05556	0.3
251.11342	0.4
311.53717	0.2
324.10867	31.4
325.11224	1.3
326.20969	0.3
344.22418	1.0
388.21426	1.6
406.22342	16.2
407.22678	1.0
454.13437	0.2
517.45148	0.2
671.00964	0.2
721.17194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24359	0.1
59.01373	0.4
59.77602	0.1
61.57649	0.1
61.98828	100.0
69.43221	0.4
71.01393	0.2
73.02942	0.2
89.02445	0.2
96.95961	0.2
153.56801	0.1
160.03981	0.1
191.05620	0.3
207.10295	0.3
209.11813	1.3
210.12289	0.2
211.13422	0.7
291.19540	0.2
441.36447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44955	0.2
59.01379	0.4
61.98830	100.0
67.09592	0.2
71.01397	0.2
71.42697	0.2
81.40589	0.2
116.92879	0.2
160.41711	0.2
185.48141	0.2
191.05577	0.4
207.10472	0.2
209.11824	2.7
209.13643	0.2
210.12177	0.4
211.13382	2.8
211.15030	0.3
227.12990	0.2
253.09387	0.3
354.39529	0.2
376.99127	0.2
387.00708	0.2
447.22217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.8
61.98826	1.8
67.50522	1.4
69.59002	3.6
69.59393	2.3
71.01371	3.2
72.11972	1.4
76.04896	1.7
78.79840	1.8
78.95908	4.3
79.95738	1.7
84.93850	2.1
85.02940	1.8
85.38168	1.4
87.04499	4.5
96.96004	64.3
96.96948	4.0
98.95580	28.1
98.96404	4.7
99.00880	2.2
99.92577	54.9
100.93357	41.1
111.00882	2.0
112.03754	1.4
113.02444	2.2
115.92076	55.8
116.92857	100.0
117.92870	2.3
125.09705	1.7
131.03505	9.4
136.01691	12.0
140.96445	3.7
141.93648	1.9
142.94386	2.1
151.04005	13.0
156.95993	3.0
167.95148	1.7
168.95992	3.3
169.96802	4.0
170.93822	2.4
170.97568	3.0
170.98967	1.6
177.50027	1.7
182.97516	1.4
191.05588	2.8
196.44064	1.8
213.95776	7.5
214.96510	9.6
226.96376	1.9
228.76880	1.7
229.00258	4.7
243.96892	2.4
283.26242	1.5
285.00644	3.4
295.23532	1.7
339.98856	2.0
357.13342	4.7
426.04044	1.9
439.51971	1.6
543.28052	1.7
553.77039	1.8
565.07959	2.0
585.11035	8.6
697.11859	12.6
715.13666	2.7
733.14465	65.6
733.26788	6.3
734.14563	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	733.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12198	0.5
57.03434	0.8
59.01380	2.9
61.98824	1.1
64.95241	0.4
67.01888	1.2
69.03451	0.8
71.01371	2.7
73.02938	0.8
79.29442	0.4
81.03456	1.5
83.05006	3.1
85.02949	17.4
87.00870	4.4
93.03458	12.2
94.03800	0.4
96.96030	0.9
99.04517	0.9
102.89005	0.5
108.85397	0.4
109.02975	2.2
111.04516	7.2
113.02453	0.7
119.01385	1.6
121.02935	1.3
127.04024	4.2
129.00105	0.4
129.01952	1.3
135.41801	0.5
137.02400	0.8
152.96109	0.5
155.03496	5.3
167.08650	0.5
171.02966	0.9
173.04552	12.8
174.04909	0.6
191.05606	100.0
192.05939	2.6
193.06595	1.1
195.04398	0.6
195.08124	0.9
200.32030	0.5
209.06061	0.5
211.07628	1.0
221.06087	3.0
222.06836	2.6
223.07625	1.9
224.04633	0.7
233.06187	0.5
234.06754	0.8
235.07681	0.7
237.05544	2.6
239.07120	5.2
247.03870	0.6
248.04756	1.4
249.05617	5.2
249.09204	1.6
250.06299	5.9
251.07089	0.5
252.04149	0.7
252.08012	0.6
265.05020	6.8
265.08633	3.8
266.05728	1.3
267.06607	32.8
268.07001	0.9
276.04166	0.9
277.04895	0.6
278.05994	0.6
279.06662	2.3
280.07385	6.6
281.08008	0.7
282.08936	19.3
283.09296	1.0
291.06607	0.5
292.03766	3.3
293.04553	2.6
293.08203	3.6
294.05365	4.8
295.05975	0.7
295.09723	0.9
297.11258	5.5
307.06094	13.4
308.06900	20.4
309.07541	6.4
311.05756	0.9
311.09204	1.8
323.09296	2.4
326.07947	4.3
341.10269	51.2
342.10574	3.4
352.05899	8.5
353.06134	0.8
367.08191	90.9
368.08484	5.7
411.51395	0.5
515.15515	15.6
516.15643	1.4
523.11920	0.6
541.13501	46.3
542.13715	3.9
559.14459	10.5
560.14929	1.3
733.19824	17.0
734.19989	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	733.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03447	2.0
57.21606	0.5
59.01377	100.0
60.01702	1.0
61.69525	0.5
61.98822	0.9
66.00894	0.5
67.61468	0.4
69.03460	1.2
69.43589	2.3
71.01379	29.8
72.99300	0.5
73.02940	12.7
74.21990	0.5
75.00878	0.7
81.03449	0.6
82.95427	1.7
83.01386	3.8
85.02944	10.5
87.00891	2.0
89.02444	14.7
93.03445	1.2
95.01361	3.4
96.96026	1.5
97.02932	1.3
99.00887	1.7
101.02439	14.0
113.02448	31.0
114.02808	0.6
116.92896	0.6
119.03516	4.9
124.01659	1.1
125.02467	3.2
131.02043	0.5
131.03548	1.4
138.04164	0.5
139.04028	1.4
143.03520	3.9
155.03503	0.6
161.04523	7.8
161.09702	0.7
179.05573	3.3
189.09276	2.1
191.05641	2.0
204.05637	0.5
204.22369	0.5
209.11838	1.1
381.23190	0.6
387.53836	0.6
525.26971	13.6
526.27063	1.1
543.28107	34.9
544.28558	3.0
561.29230	5.9
562.29968	1.0
585.29224	6.4
603.30212	7.1
603.39612	0.7
604.30731	0.8
645.25830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55530	0.5
55.01881	0.8
55.04457	0.4
56.53442	0.5
57.03448	1.3
59.01377	100.0
61.98832	1.2
69.03433	0.8
71.01382	32.1
72.99313	0.6
73.02940	16.4
82.95432	1.3
83.01389	4.0
85.02946	11.7
87.00888	2.4
89.02447	18.0
93.03481	1.4
95.01367	2.9
96.96016	2.1
97.02970	1.5
99.00896	1.4
101.02438	17.8
101.03102	0.9
110.82415	0.5
113.02445	27.7
114.02845	0.5
119.03489	5.7
119.04193	0.5
119.94466	0.6
121.03032	0.6
121.11242	0.6
124.01688	1.4
125.02444	3.4
131.03558	1.4
137.02501	0.6
139.04005	0.6
143.03465	3.6
149.04596	0.9
155.03505	0.7
155.08302	1.5
155.76698	0.6
161.04570	6.5
163.08617	0.5
173.04680	0.5
179.05608	3.5
189.09277	1.3
191.05685	0.8
203.05615	0.8
209.11916	0.9
233.08282	0.5
300.02847	1.0
301.03552	1.4
304.11737	0.8
515.25000	3.1
525.26941	11.5
526.27869	1.1
533.27014	1.1
543.28107	33.2
544.28442	3.5
561.29199	8.3
575.27832	1.3
585.29095	7.1
585.37390	0.7
586.29694	1.3
603.30072	7.6
603.38092	0.7
604.31207	0.9
658.93982	0.6
733.27374	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	733.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03417	0.9
58.42279	0.4
59.01377	100.0
60.01725	0.5
61.98833	4.3
63.69638	0.6
69.03458	1.3
71.01379	31.9
71.43618	0.4
72.01746	0.5
72.99307	1.1
73.02943	19.2
81.03466	0.6
82.95438	1.3
83.01387	5.8
85.02945	12.1
87.00877	2.8
89.02447	16.9
93.03469	1.7
95.01392	3.7
96.96040	1.3
97.02970	1.3
99.00906	1.7
101.02443	23.1
108.51088	0.6
113.02448	28.5
113.06083	0.6
114.02751	0.7
116.92857	0.5
119.03501	8.0
121.03060	0.7
124.01680	1.0
125.02470	4.4
131.03479	2.3
134.39955	0.5
135.04509	0.7
137.02408	0.6
139.04033	5.0
143.03500	4.4
149.04608	1.9
150.03180	0.5
155.03523	0.9
157.05162	0.7
161.04564	8.6
161.05850	0.7
165.05537	0.5
173.04591	0.9
179.05618	6.0
191.05611	1.3
201.04100	1.8
201.11272	0.9
203.05675	1.6
209.11800	6.5
209.13380	0.5
211.02060	0.5
227.12932	1.2
231.13971	0.5
234.67584	0.5
279.76797	0.5
399.24283	0.6
455.09113	0.5
525.26935	8.4
526.27795	1.0
543.28113	26.5
544.28302	3.2
561.29089	6.4
562.29980	1.0
585.28992	5.6
603.30286	6.1
604.30426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
57.03436	2.8
59.01377	68.0
69.03457	6.9
69.21161	2.8
69.21581	1.1
71.01379	36.6
73.02943	9.7
77.33379	0.6
82.95432	0.9
83.01377	4.5
85.02946	15.9
86.03341	0.7
87.00879	1.9
89.02442	21.5
93.03462	1.3
95.01373	4.7
97.02950	0.9
99.00866	1.8
101.02436	22.6
111.00839	0.7
112.01651	0.9
113.02449	43.9
119.03493	10.6
124.01704	0.7
125.02448	1.1
131.03520	1.6
136.60831	0.8
139.03969	1.3
143.03549	3.2
156.47957	0.6
159.03000	1.0
161.04553	7.4
163.04004	0.7
179.05632	4.2
189.09229	5.2
191.05614	1.7
233.08119	1.7
353.19617	1.5
371.20789	2.1
474.20770	0.7
479.23083	0.7
515.24951	100.0
516.25317	9.5
533.26019	33.8
534.26447	3.7
575.27063	24.1
576.27338	2.8
689.30890	1.5
733.28192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03449	1.3
58.00579	0.7
59.01378	100.0
60.01725	0.6
61.98832	0.9
67.01888	0.8
69.03452	12.4
71.01380	50.2
72.99319	0.7
73.02949	11.9
80.40002	0.6
82.95409	1.1
83.01380	5.6
85.02944	14.4
87.00892	2.8
89.02441	40.4
93.03487	1.2
95.01406	3.4
95.05026	1.1
96.96034	1.5
97.02977	1.4
98.00101	1.7
99.00896	1.6
99.04569	0.8
101.02442	30.5
102.46980	0.6
111.00859	0.8
111.04531	0.8
111.06705	0.6
113.02447	80.6
114.02809	1.8
119.03503	18.1
119.04309	1.0
121.02973	0.7
123.04491	0.6
125.02468	1.1
131.03517	3.8
137.02405	0.8
139.04008	8.9
143.03513	6.6
149.02473	0.7
149.04572	4.0
155.03510	1.0
159.03101	0.8
161.04544	17.4
164.04747	1.1
168.21620	0.6
170.50314	0.7
173.04591	1.2
175.00362	0.8
179.05603	21.3
179.07103	1.6
190.02794	1.9
191.05551	3.1
197.58490	0.7
205.05070	4.0
221.06526	0.9
223.06186	1.5
298.99689	0.7
353.08673	0.7
363.20184	0.8
409.61368	0.7
457.17120	7.7
515.24945	47.1
516.25140	4.3
516.82593	0.7
533.25964	26.9
534.26642	3.0
534.83136	0.7
552.32892	0.7
575.27094	22.3
576.27869	2.6
689.31262	1.8
695.35712	1.2
733.31696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03434	2.5
59.01379	83.0
61.98833	4.9
69.03448	8.8
71.01379	49.1
72.24818	0.9
72.99298	1.6
73.02564	1.4
73.02943	15.1
82.95398	1.2
83.01378	6.2
85.02461	1.7
85.02952	22.4
87.00877	3.1
87.04465	1.0
89.02441	31.4
93.03457	2.1
95.01366	7.4
96.96024	1.5
97.02937	2.3
99.00858	3.5
100.83956	0.9
101.02439	27.2
101.26449	1.0
107.16147	0.9
111.00854	1.1
113.02449	61.1
114.02780	1.6
119.03513	10.8
124.01627	1.5
125.02451	1.7
131.03529	1.6
139.03970	1.4
143.03490	4.2
159.02930	1.0
161.04550	7.9
179.05579	4.1
189.09210	3.5
191.05556	1.5
193.15982	1.1
209.11829	3.5
233.08194	1.7
335.08731	1.0
347.31149	1.0
353.19223	1.0
371.20612	1.7
445.18594	1.0
515.24951	100.0
516.25153	8.7
533.25995	47.1
534.26245	3.8
575.18292	2.0
575.27094	34.0
576.27423	4.2
689.29877	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	734.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00571	0.2
56.00857	0.2
59.01379	0.6
61.98828	100.0
71.01393	0.3
74.53389	0.2
76.55297	0.2
78.91888	0.4
80.87595	0.2
85.38235	0.2
96.96049	0.2
99.92600	0.2
100.95145	0.2
101.02465	0.3
116.92866	0.7
117.92866	0.3
152.59680	0.2
173.04742	0.2
191.05702	0.2
197.11832	1.3
201.35632	0.2
204.90987	0.2
209.11813	2.5
210.12228	0.3
227.12868	0.4
230.99136	0.2
233.17360	0.2
237.14987	1.2
238.15349	0.5
253.09364	0.3
293.21344	0.2
341.91257	0.2
397.13821	0.5
453.20123	0.2
637.86945	0.2
707.01343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98029	0.1
61.98826	100.0
63.89574	0.1
64.93256	0.1
83.87132	0.1
88.07517	0.1
90.42481	0.1
92.36826	0.1
93.13139	0.1
93.19469	0.1
98.22677	0.3
116.79363	0.1
120.72775	0.1
123.96245	0.1
129.93655	0.1
178.38168	0.1
209.11723	0.3
210.12120	0.1
257.44653	0.1
526.70288	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15672	0.5
69.63992	1.7
75.24400	0.4
85.02926	0.5
89.03976	1.9
93.03458	2.1
94.82894	0.4
106.04228	0.5
111.04532	2.7
117.03458	7.8
118.03741	0.4
134.03740	86.0
135.04065	2.6
149.06085	7.5
155.03502	2.5
173.04561	4.8
191.05600	3.4
193.05049	100.0
194.05382	3.2
245.67911	0.4
346.25891	0.4
367.10309	44.6
368.10654	2.9
394.76822	0.5
562.50787	0.4
653.05212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64768	0.4
68.37631	0.4
69.41700	1.5
71.01402	0.4
75.89259	0.4
78.46103	0.4
83.05067	0.4
89.03984	1.8
93.03467	1.7
96.69875	0.3
111.04515	2.1
117.03463	6.3
134.03737	73.1
135.04068	2.3
137.45573	0.4
149.04892	0.5
149.06073	7.9
155.03488	2.5
173.04524	4.0
178.96484	0.4
191.05617	3.7
193.05048	100.0
194.05426	3.5
215.30171	0.3
241.70387	0.3
284.24808	0.4
345.38156	0.4
367.10312	49.3
368.10684	3.2
380.98764	0.4
524.36749	0.5
719.83636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
61.19980	0.5
61.98838	4.2
69.95412	1.1
69.95715	0.6
71.01383	2.4
74.37296	0.5
76.24606	0.5
83.04193	0.5
85.02934	0.8
89.02425	0.9
93.03444	1.0
96.21632	0.5
98.22550	0.6
101.02419	0.7
106.04246	31.1
113.02414	1.2
119.01398	1.3
119.10612	0.5
121.02932	1.5
135.04526	0.7
137.02443	0.7
138.03217	2.1
147.00955	1.0
149.02446	3.9
150.03247	3.6
161.09723	61.5
162.10031	2.0
163.03952	0.6
163.07652	0.7
164.04791	5.5
165.05525	0.6
174.98955	0.9
175.00363	10.3
176.01170	3.3
179.07147	1.2
182.02168	1.5
190.02721	26.6
191.03444	5.6
191.05525	1.3
194.02190	0.6
201.57840	0.6
204.07953	0.7
205.05095	29.3
205.08684	100.0
206.05539	0.8
206.09041	3.1
209.04498	1.7
219.10312	4.8
223.06119	6.1
247.09763	6.0
293.29257	0.7
352.08224	0.9
353.08710	6.5
367.10291	53.1
368.10605	2.0
573.19751	73.0
574.20026	4.7
615.20660	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	735.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02567	0.1
59.01381	1.4
66.27470	0.1
71.01371	0.8
72.99290	0.1
73.02938	0.2
75.00861	0.7
83.49320	0.1
85.02954	0.9
87.00880	0.2
87.81213	0.1
89.02417	0.2
93.03484	0.3
95.01398	0.3
96.96014	0.2
99.00899	0.3
106.04240	20.3
107.04588	0.5
111.04494	0.2
113.02432	1.2
115.07644	4.2
116.07997	0.2
121.02957	0.1
135.04573	0.1
138.03218	1.1
139.04015	0.5
145.03012	0.1
146.07336	0.3
150.03210	2.0
151.53162	0.1
151.54523	0.1
161.09714	38.1
162.10045	1.2
163.16464	0.2
173.04515	0.1
177.01921	0.2
182.02170	0.7
191.05608	0.4
201.03990	0.2
205.08679	100.0
206.09015	4.6
231.05078	0.2
247.09863	0.1
249.06142	0.6
273.58441	0.1
365.14496	6.3
366.15063	0.9
367.14026	1.5
395.07172	0.1
494.23013	0.2
516.49030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90577	0.9
55.01877	1.6
56.40334	0.8
57.03465	0.9
58.00594	1.3
59.01379	96.2
68.98487	0.9
69.03454	21.6
71.01380	39.9
71.88974	0.8
72.72820	0.8
73.02944	5.2
82.95689	1.0
83.01393	2.9
85.02948	10.6
87.00888	2.4
89.02444	34.7
95.01386	3.7
98.00109	2.1
98.21814	2.3
99.00884	0.9
101.02451	20.5
111.48656	1.0
113.02451	100.0
114.02753	2.1
119.03503	12.5
119.05034	3.3
131.03493	2.3
139.04016	2.0
143.03502	4.0
149.04576	2.0
161.04518	7.3
163.03984	6.3
179.05615	11.5
179.95842	0.9
291.54083	0.9
326.82077	0.9
459.12866	1.7
517.26538	71.3
518.26727	7.7
535.27570	42.7
536.28082	5.1
546.80695	1.1
577.28632	38.9
578.28821	4.5
587.00049	0.9
621.18701	2.5
691.32043	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	735.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03438	1.3
58.00582	0.9
59.01378	95.8
69.03454	21.9
71.01380	37.9
72.99303	0.6
73.02944	5.3
83.01389	1.5
85.02953	9.7
87.00888	1.7
89.02447	35.4
93.03446	0.6
95.01385	3.8
96.96075	0.5
98.00105	2.3
98.85328	0.4
101.02439	19.4
105.76272	0.5
113.02446	100.0
114.02773	1.8
119.02654	0.7
119.03501	15.1
119.05016	1.9
127.61034	0.5
131.03534	2.2
139.03986	1.6
143.03473	2.9
149.04523	2.5
161.04533	5.5
163.04037	3.5
177.01958	0.5
179.05598	9.6
201.03981	0.6
208.42841	0.5
314.12436	0.5
355.21259	0.6
517.26514	68.4
518.26740	6.4
535.27588	36.9
536.27386	3.1
577.28632	34.0
578.28961	3.7
621.18658	1.6
643.80646	0.5
691.31763	6.0
692.31854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39383	1.1
55.01854	1.4
56.57164	1.1
59.01374	39.6
61.98824	3.6
69.03452	2.1
70.91528	1.0
71.01374	23.2
72.99307	1.5
73.02944	5.2
80.08369	1.1
81.03426	1.3
83.01373	1.8
85.02930	5.9
87.00846	6.5
89.02435	24.3
95.01369	1.7
97.02943	5.3
101.02442	17.4
113.02440	8.7
119.03486	6.9
125.02406	8.0
131.03459	1.3
143.03455	4.2
161.04558	4.3
162.83838	1.6
179.05653	3.1
217.07269	1.4
221.06528	1.4
235.08167	9.3
253.09126	2.6
277.21698	67.6
278.22119	3.5
287.07675	2.4
305.08774	4.0
323.09665	2.1
397.13464	100.0
398.13983	4.3
415.14560	34.2
514.75983	1.4
531.50317	1.3
575.23163	1.4
585.02850	1.4
700.17670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49079	20.5
61.64848	20.1
83.73911	23.4
156.36842	21.8
168.92833	21.4
201.98929	21.5
207.10284	62.8
225.11467	33.8
255.23259	100.0
256.23642	28.7
267.56287	24.9
479.91525	25.0
577.59454	25.8
699.42133	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4093
Annotation	Myxochromide S2
Peak:m/z	Relative Intensity
61.98833	16.3
66.77841	4.6
84.16417	4.5
85.95910	4.4
98.21897	16.8
110.60738	4.8
146.00172	4.4
172.10335	5.7
175.82848	4.5
209.11841	65.7
227.12895	21.1
228.74341	6.0
235.08276	12.6
238.33583	4.8
253.09253	10.0
253.21713	100.0
255.23277	13.0
349.08478	5.7
361.61932	5.9
489.30316	13.1
735.41443	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95642	0.1
53.94852	0.1
54.52284	0.1
59.01373	0.4
61.98828	100.0
62.98533	0.1
70.41793	0.1
71.01389	0.2
85.00412	0.1
85.02952	0.2
87.00909	0.2
93.03491	0.1
96.96026	0.3
99.92593	0.2
101.02412	0.1
111.03717	0.1
111.04459	0.1
113.02497	0.1
114.92870	0.1
116.92878	0.9
117.92904	0.2
135.04570	0.1
157.23055	0.1
173.04584	0.3
191.05591	0.7
197.11765	0.1
209.11830	0.8
210.12148	0.2
247.91872	0.1
251.53795	0.1
273.61795	0.1
424.77783	0.1
538.59381	0.1
630.61414	0.1
764.44531	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	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16109	0.0
59.01385	0.3
61.98827	100.0
62.98537	0.1
70.62570	0.0
71.01389	0.2
77.33379	0.0
83.80282	0.0
85.02976	0.1
93.03497	0.1
96.96016	0.2
101.02465	0.1
113.02454	0.1
116.92827	0.1
162.09528	0.0
163.11238	0.1
171.10399	0.0
173.04523	0.1
191.05559	0.5
197.11815	0.1
201.11391	0.1
207.10324	0.1
209.11815	0.4
210.12230	0.1
225.76698	0.0
633.54303	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	736.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22932	1.2
54.51926	1.1
58.02973	5.3
60.56147	1.1
62.51387	1.0
63.91564	1.0
69.48600	2.1
69.48989	1.9
74.02468	18.5
82.02996	2.5
86.02487	7.5
86.06126	1.7
87.05645	3.3
91.40351	1.1
97.04089	4.1
99.05630	15.1
101.07186	1.5
102.05630	1.9
105.99670	1.5
109.04104	1.8
111.05653	2.1
112.04034	1.3
113.26369	1.2
116.92855	1.4
125.03563	1.2
127.05148	2.5
128.03540	46.2
133.06595	1.3
135.04575	1.1
135.05644	4.1
139.63641	1.0
141.03033	1.3
141.06694	1.1
143.04622	58.7
145.06212	2.3
146.04581	4.3
148.05293	3.6
151.07648	2.2
152.03058	1.9
153.06697	3.3
160.00732	3.4
161.06102	8.6
163.07617	1.2
166.09802	2.4
167.04581	1.9
167.08217	1.4
169.06152	1.1
175.01813	2.1
179.04614	11.6
180.02553	6.4
192.02461	2.5
192.07736	1.6
194.04079	1.7
195.04845	92.9
196.05185	3.9
197.05650	1.7
200.83272	1.4
205.40616	1.2
210.08850	9.7
254.07773	16.2
272.08868	100.0
273.09155	3.4
288.06616	2.1
304.06186	8.3
306.07632	31.3
447.34735	2.3
463.32568	33.3
464.33029	2.6
465.34073	6.2
736.42267	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.3
69.57616	0.7
69.58006	0.6
69.64481	0.2
71.01385	0.6
71.05019	3.6
72.38042	0.3
72.86604	0.3
83.23534	0.3
87.04515	2.5
93.02353	0.3
97.02972	0.4
98.22626	0.5
112.01654	0.6
112.06522	0.3
113.02459	6.1
114.47099	0.3
115.04013	55.2
116.04321	0.8
125.02432	0.6
142.05095	0.3
157.01440	0.6
159.02991	100.0
160.03308	0.9
160.06168	0.3
164.05083	0.3
196.98607	2.2
198.98340	0.5
214.98842	0.4
289.07211	0.4
336.49756	0.3
338.97867	0.7
348.97299	0.5
350.97177	3.2
378.99353	0.3
394.97849	34.2
395.98087	0.7
407.07709	0.3
425.08618	0.5
577.13593	0.5
677.97308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75000	0.2
55.21031	0.2
56.19155	0.2
57.03459	0.2
57.61592	0.2
59.01374	17.2
60.37112	0.2
64.93751	0.2
70.00418	0.5
71.01376	1.7
72.84930	0.2
73.02941	0.8
83.01379	0.4
85.02928	1.1
89.02470	0.2
93.03454	3.8
99.00873	0.3
101.02430	1.8
104.95135	0.2
113.02450	1.3
115.07591	0.2
121.02943	6.5
137.02420	0.3
137.39200	0.2
139.04002	100.0
140.04359	1.2
161.04564	0.6
165.01881	0.2
235.11844	2.5
277.12842	1.4
301.09262	42.9
302.09586	0.8
415.12247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93747	0.4
52.65007	0.4
55.01875	0.4
55.96129	0.3
56.01880	0.4
57.03436	1.7
59.01378	11.1
64.64571	0.3
66.87141	0.4
67.01881	0.6
68.99799	1.3
69.03445	1.2
71.01009	0.7
71.01379	8.4
72.99300	2.1
73.02940	1.2
75.00866	10.9
81.03442	0.5
83.01363	0.9
83.04997	0.5
85.02452	0.7
85.02948	10.7
87.00877	3.7
89.02432	1.8
91.04026	0.5
93.03459	1.5
95.01386	3.3
98.22640	1.5
99.00867	5.5
101.02444	0.9
103.00350	1.1
109.02952	0.6
113.01706	0.8
113.02448	12.8
113.11976	0.4
114.02803	0.5
115.00361	0.8
117.01945	2.0
121.02950	51.7
122.03266	0.6
125.02419	1.6
129.01921	1.0
129.34755	0.4
137.02386	0.7
143.03531	0.5
157.01428	0.8
161.04565	0.6
175.02454	1.6
189.03954	0.7
191.05574	2.2
229.19960	0.4
231.05132	3.5
249.06133	33.0
250.06450	0.5
251.11389	2.2
353.08746	0.7
365.18353	0.5
371.09787	100.0
372.10129	4.2
388.62872	0.4
599.91547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88299	5.2
56.69340	5.1
56.69684	4.9
57.30755	4.9
59.01366	16.8
61.98832	100.0
71.01380	11.5
71.43567	9.7
82.95416	9.7
85.02944	7.0
93.03446	19.7
101.02424	5.7
103.78081	5.3
116.92857	12.6
134.03748	9.1
137.02461	9.6
173.04556	19.6
191.05594	47.5
197.11754	10.1
209.11804	27.8
223.13345	14.5
251.01184	5.1
465.80905	5.9
651.33716	9.7
737.35168	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	737.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03429	1.8
59.01378	23.9
59.26287	1.0
61.98834	7.2
65.03996	1.1
68.50681	1.0
69.03451	1.3
71.01380	14.3
73.02952	6.2
73.12743	1.1
73.34850	1.1
75.00851	1.1
79.33598	1.0
83.01385	3.0
83.05020	4.1
84.95105	2.3
85.02962	6.4
87.00866	4.1
88.98801	2.3
89.02433	6.6
93.03461	3.6
95.01370	2.0
95.05059	1.7
96.96024	2.2
97.02944	1.7
99.92564	1.1
101.02466	8.9
107.05013	1.7
111.00871	1.3
111.04501	1.8
113.02448	8.6
113.06087	2.3
116.92863	2.6
119.03471	2.6
119.05042	1.6
125.09712	4.2
127.11291	4.3
135.04556	1.7
137.02519	1.3
137.09676	1.6
139.04021	10.3
141.09303	1.4
143.03517	1.5
151.11278	3.4
153.12842	2.2
155.10764	3.2
157.05110	1.3
159.03003	1.9
161.04544	3.5
163.04019	1.8
163.11313	3.4
165.09265	1.8
169.12349	45.7
170.12685	1.3
171.10242	3.2
173.04541	2.7
179.05515	1.4
183.10185	1.3
191.05641	8.1
197.11830	89.5
198.12149	3.0
199.09735	2.1
199.66621	1.1
201.04103	5.0
201.11330	71.6
202.11627	1.3
205.04893	1.5
205.08707	1.7
209.11827	53.0
210.12128	3.0
213.09151	3.5
227.12978	5.2
235.08263	1.5
253.09317	8.3
299.01910	3.3
300.02393	1.6
363.20609	1.5
445.97217	1.2
483.30524	1.2
608.13617	1.8
661.30658	2.5
687.32312	11.6
688.32922	1.4
693.33002	2.4
697.28619	1.2
705.33392	32.3
706.33557	3.0
719.34918	14.2
720.35651	1.3
737.36023	100.0
738.36530	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	737.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.7
61.98813	3.5
71.01387	24.3
71.18958	3.1
73.02939	5.8
78.95898	4.2
82.82935	2.9
85.02930	6.0
87.00885	5.4
89.02455	24.1
97.02965	7.6
101.02441	21.1
103.72716	3.2
113.02428	5.9
119.03572	5.1
119.94694	4.4
125.02420	10.0
131.03482	3.9
141.01685	12.5
152.99571	5.8
161.04550	5.1
179.05528	3.7
217.00385	4.2
235.08234	7.7
279.23285	90.9
289.47974	3.3
305.08713	4.8
397.08640	6.5
397.13470	100.0
398.14023	7.9
415.14429	38.6
677.37592	5.0
680.06647	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	737.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87151	1.0
55.01869	1.4
57.03453	1.0
59.01378	40.0
61.98826	1.8
69.03461	1.3
70.43301	1.7
71.01379	25.5
71.64143	1.1
73.02951	5.1
83.01378	2.1
83.68285	0.9
85.02950	5.5
87.00877	5.2
89.02440	22.9
95.01363	1.7
97.02944	4.7
101.02437	22.4
111.04523	1.1
113.02448	11.1
119.03506	5.8
125.02461	8.2
133.05038	1.2
143.03522	5.4
161.04489	5.7
179.05597	4.0
206.74675	1.0
221.06555	1.4
235.08258	8.3
253.09276	2.5
279.23282	79.8
280.23544	4.9
287.07632	3.7
305.08786	5.5
314.16174	1.0
379.12442	1.6
397.13483	100.0
398.13733	7.1
415.14548	33.0
416.14880	1.5
662.42188	1.3
677.37311	3.1
759.79602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46308	0.2
59.01379	2.6
61.98828	10.8
64.78067	0.2
69.11693	1.5
71.01374	1.5
73.02935	0.4
80.02662	0.9
80.28242	0.2
81.03452	0.8
83.01399	0.3
83.05024	4.0
84.02155	0.7
85.02935	0.4
87.00863	0.6
89.02426	1.0
93.03459	0.5
95.05034	0.6
101.02427	1.5
109.06610	0.3
113.02441	1.0
125.06038	0.3
135.08107	0.5
143.03465	0.4
147.11847	0.2
161.04549	0.7
163.11304	2.6
165.12839	2.1
169.12277	0.6
171.10248	0.9
173.04593	0.3
181.12260	0.3
191.05603	1.0
191.10822	0.8
209.11819	100.0
210.12148	4.6
227.12877	15.2
228.13188	1.0
235.08226	1.9
246.08432	0.2
247.13411	0.4
253.09268	4.9
348.35181	0.2
445.20718	3.5
446.20877	0.3
637.32275	1.0
655.32794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01379	7.5
61.98824	2.6
69.03462	3.5
69.95361	0.6
69.95721	1.6
71.01368	4.6
71.05010	2.7
73.02946	1.9
79.46230	0.5
79.79517	0.6
83.01388	0.8
84.72195	0.5
85.02950	1.4
85.64719	0.5
89.02467	2.7
95.01347	0.6
97.06583	0.9
98.22532	0.8
98.39101	0.6
101.02460	4.2
113.02446	1.3
119.03506	0.6
123.08179	0.7
125.09720	2.1
149.09726	0.7
151.11278	1.8
153.12854	2.1
161.04568	1.3
161.09735	2.7
169.12317	1.8
179.10768	6.4
197.11821	86.5
198.12157	1.8
212.96428	0.6
223.09807	1.3
228.97659	0.5
241.10814	4.4
253.09238	2.5
256.71118	0.6
277.21729	27.1
278.22162	1.5
363.87018	0.6
451.75299	0.7
477.19696	2.0
737.41144	100.0
738.41522	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21317	0.9
59.01382	7.0
61.47485	0.8
66.91983	0.8
69.03451	4.8
69.22263	0.8
69.28495	4.3
70.91588	0.7
71.01382	3.7
71.05010	1.7
73.02945	1.8
83.05010	1.1
85.02954	1.1
87.00866	0.9
89.02419	2.4
90.66238	0.7
98.68484	0.8
101.02458	4.5
102.29504	0.8
113.02386	1.8
124.66605	0.9
125.09710	2.0
133.20512	0.8
146.11145	0.8
149.09657	0.8
151.11241	2.3
161.09708	3.2
169.12317	1.9
179.10770	7.9
197.11818	45.8
198.12206	2.6
223.09808	1.7
241.10812	2.2
253.09169	1.9
277.21710	52.0
278.21869	4.3
329.30688	1.1
403.19492	0.9
444.27045	1.0
477.20035	1.4
494.48770	0.9
557.99249	0.9
624.53345	0.9
737.41150	100.0
738.41400	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.9
59.62792	3.4
70.96231	4.9
81.54964	3.5
83.28509	3.0
87.94596	3.1
90.96438	3.0
162.09935	3.6
190.12160	3.4
209.11794	64.6
227.12885	15.3
235.08232	13.0
253.09459	8.1
255.23302	100.0
256.23730	4.8
491.32080	7.2
737.42310	41.2
738.44055	6.1
747.28400	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	737.518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24529	0.2
56.15066	0.2
56.67910	0.2
59.01377	14.2
63.89728	0.2
78.19376	0.2
81.03451	4.8
83.05022	12.7
83.70478	0.2
91.95164	0.2
98.22691	0.5
108.04519	0.4
109.02922	0.2
113.02432	0.4
125.07209	0.7
126.05595	0.3
126.07544	0.2
143.08298	0.3
185.06142	0.3
207.15028	1.0
224.17661	1.9
225.16061	10.9
225.18291	0.5
226.16470	0.4
242.18846	0.3
276.29034	0.2
309.21805	0.8
324.26505	0.7
333.22968	0.4
341.29160	0.9
367.27002	1.1
433.31848	0.8
450.34503	1.1
451.32870	8.0
452.33334	0.5
483.66034	0.3
550.43414	1.0
559.39624	0.5
593.43457	0.6
659.48334	2.1
660.49438	0.4
677.49634	100.0
678.49945	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	738.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03436	1.1
68.57275	0.2
69.03439	0.4
69.70773	0.6
71.05009	0.7
73.02949	2.0
80.05071	0.3
85.02950	0.6
87.04520	0.7
87.43951	0.3
92.05067	0.3
95.05031	0.8
96.04543	0.8
97.02935	1.0
98.03729	1.0
98.22033	0.4
102.08504	0.3
107.05018	0.3
107.91313	0.3
109.02936	0.9
109.06584	1.1
110.03735	0.5
110.99885	0.3
111.04506	0.4
112.01672	1.9
113.02455	4.5
114.05569	0.5
115.03984	1.0
121.03002	0.3
121.06564	1.2
122.03697	0.5
122.09772	1.9
123.04535	0.7
123.08106	0.3
124.01645	0.7
125.02435	1.0
127.03984	1.7
128.07147	0.6
135.08171	0.7
137.02434	1.8
138.03235	2.4
139.00394	1.3
139.03012	0.5
139.04018	6.7
142.02744	0.3
144.00696	0.4
147.08177	0.8
148.07684	0.9
149.09758	0.4
150.03207	0.7
150.06854	0.9
151.03979	0.9
152.04768	0.5
158.07405	0.6
159.08049	0.5
161.09709	0.9
162.09232	0.3
163.03969	0.3
163.07629	0.7
164.10771	0.3
165.05554	0.4
165.09267	0.5
166.08720	1.4
167.03496	1.0
167.07135	0.7
173.09697	0.3
175.07661	0.4
176.08459	0.5
177.09149	0.6
181.39792	0.3
182.82997	0.3
184.09778	0.5
191.05559	0.4
191.10905	0.4
202.12433	0.4
204.13918	0.4
216.13965	0.6
218.11931	0.4
228.13974	0.3
235.09947	0.3
242.15477	2.5
248.12822	0.4
251.78133	0.3
254.15744	0.3
258.14984	0.4
258.18637	0.9
260.12915	0.9
260.16483	1.1
272.16589	1.2
276.12350	0.4
284.16660	0.8
296.20096	0.7
302.14334	0.5
302.17593	9.3
303.08725	4.1
303.17950	0.5
314.17813	0.5
314.21271	1.9
316.15472	0.4
318.17209	0.6
330.20734	0.4
340.19034	2.1
358.20233	11.8
359.20557	1.1
362.23883	0.3
372.21826	1.2
390.23001	2.3
401.18484	0.6
402.19214	2.4
416.20758	3.9
417.20975	0.4
434.21808	100.0
435.22159	8.4
544.22717	0.3
615.17181	0.3
678.73975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85936	0.2
54.93369	0.2
59.01373	1.0
61.98827	100.0
70.88929	0.4
71.01382	0.4
73.42680	0.3
82.95427	0.3
85.02953	0.3
88.99526	0.2
93.03476	0.7
96.96007	0.5
98.21975	0.3
101.02466	0.4
128.54321	0.2
137.02524	0.4
154.19926	0.3
173.04555	0.9
173.22484	0.2
190.55833	0.3
191.05598	1.8
209.11916	0.7
225.11433	0.3
237.15169	0.3
420.86908	0.2
525.28070	0.3
563.34320	0.3
601.21393	0.3
638.23224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98827	100.0
71.01412	0.1
84.92342	0.1
89.02464	0.1
101.02482	0.1
104.27992	0.1
141.29601	0.1
153.94702	0.1
155.96841	0.1
224.67435	0.1
277.21692	0.2
278.22162	0.3
279.22858	0.1
370.68619	0.1
387.57388	0.1
397.13501	0.2
398.13995	0.3
399.13876	0.3
400.14575	0.2
417.14996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70413	0.2
59.01351	0.3
61.98828	100.0
62.45442	0.2
62.87212	0.2
69.20696	0.9
70.73969	0.2
71.01384	0.4
73.43508	0.2
89.02493	0.2
98.21819	0.2
113.02493	0.2
155.53705	0.2
203.77631	0.2
214.06606	0.2
245.89832	0.2
256.00302	0.2
277.21844	0.3
278.22073	0.3
398.13913	0.4
399.14093	0.4
400.14142	0.2
416.14905	0.2
428.88269	0.2
544.02509	0.2
583.96838	0.2
608.82037	0.2
656.47705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5074
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
55.57963	11.3
71.31846	11.1
78.95897	23.1
184.84135	11.4
185.25125	12.8
214.80565	12.3
262.65991	13.4
266.66782	12.0
276.73074	12.5
276.83179	10.7
279.23337	100.0
590.87897	11.5
680.65173	12.9
682.39557	14.2
738.50665	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	739.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
57.27792	0.8
65.00327	1.1
67.01887	0.7
73.02925	1.0
83.42496	0.7
92.73402	0.7
93.03439	1.1
98.21897	2.8
99.49857	0.7
107.01380	2.3
109.02908	1.0
110.78758	0.7
125.02393	2.7
132.02145	1.5
132.80531	0.9
135.00885	1.9
151.00336	4.6
155.42802	0.9
161.02371	1.4
163.00505	1.0
164.01100	1.1
175.03934	1.1
177.01840	1.0
178.99872	1.3
187.03932	1.3
191.05600	2.4
199.03929	0.9
201.05670	0.9
211.04079	1.7
227.03493	44.1
228.03862	3.2
229.05016	4.2
239.03403	1.8
255.02974	85.5
256.03598	7.5
257.04535	2.1
272.08997	0.9
283.02338	1.5
284.03253	100.0
285.03943	19.3
289.07111	1.4
419.48270	0.9
428.19376	1.0
434.21719	3.0
435.21988	1.5
497.15469	1.9
739.20795	68.1
740.21588	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	739.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
57.03434	2.3
59.01117	0.8
59.01379	10.1
60.99292	1.7
67.01886	8.1
68.99786	1.1
69.03448	2.6
69.27875	1.4
69.28266	1.1
70.93307	0.6
71.01014	0.8
71.01382	10.7
72.99289	1.4
73.02938	1.0
75.00873	7.4
81.03439	1.3
83.01402	0.5
83.04971	0.7
85.02943	10.6
86.14626	0.7
87.00863	5.5
89.02451	1.6
93.03455	41.4
95.01384	2.6
97.02941	0.7
98.22618	1.3
99.00864	5.0
109.02926	1.6
111.00871	1.3
111.04502	6.7
113.02448	10.0
115.00389	0.9
117.01951	1.5
117.03485	2.3
121.02948	39.0
122.03323	0.8
127.03979	1.9
129.01938	0.9
134.03732	23.0
137.02431	3.7
149.06053	2.4
155.03514	4.3
173.04536	100.0
174.04869	2.0
175.02496	1.0
191.05600	61.9
192.05945	1.5
193.03299	1.3
193.05043	20.3
231.05089	3.2
247.95456	0.6
249.06123	25.3
367.10312	52.6
368.10623	2.6
371.09787	77.7
372.10153	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	739.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04199	0.7
56.98110	0.8
57.03423	1.0
57.94349	0.8
59.01376	41.8
61.98825	3.9
69.03449	1.9
71.01379	26.6
72.66245	0.7
72.99293	1.6
73.02932	5.0
79.52334	0.6
81.03460	1.5
82.95395	2.1
83.01388	3.2
84.00900	1.3
84.34168	0.6
84.95122	7.4
85.00431	37.7
85.02947	6.0
86.44354	0.7
87.00864	5.2
89.02441	24.6
92.42089	0.9
95.01375	2.2
97.02930	4.4
99.00866	1.1
101.02432	18.2
109.02908	0.8
109.06576	0.8
111.04482	1.1
113.02446	10.9
115.04020	1.0
119.03487	5.9
121.02942	0.9
125.02447	8.7
131.03516	1.5
133.05101	1.5
139.03967	0.8
143.03545	3.8
149.04524	1.0
161.04558	6.0
163.11328	1.4
171.10260	18.2
179.05608	5.0
201.11281	1.9
207.10294	3.3
209.11905	1.1
221.06651	1.9
225.11301	6.9
235.08206	9.9
253.09207	4.4
277.09216	1.0
277.21722	27.0
278.22025	1.5
281.24844	80.7
282.25128	4.8
287.07797	3.3
305.08804	5.0
312.78674	0.8
323.09811	1.2
379.11978	1.0
397.13461	100.0
398.13831	3.8
415.14529	31.7
443.19165	1.0
493.37253	0.8
679.39301	4.2
721.41064	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
61.98830	1.7
64.95828	0.2
69.09859	0.2
71.01381	3.0
71.04984	0.2
73.02944	0.7
79.81402	0.3
80.02666	1.1
81.03455	0.9
81.21971	0.2
83.01378	0.5
83.05025	4.1
84.02165	0.7
85.02931	0.7
87.00866	0.5
87.09304	0.2
89.02443	2.3
93.03437	0.3
95.05028	0.8
97.06609	0.3
101.02430	3.5
111.79644	0.2
113.02454	1.6
113.09717	0.4
119.03465	0.3
119.46049	0.2
121.10225	0.6
125.06081	0.3
135.08138	0.4
137.02415	0.4
145.05014	0.5
147.11810	0.3
161.04575	1.7
163.11281	3.6
165.12805	2.3
167.10777	0.3
171.10268	2.5
179.05560	0.7
179.14401	0.7
181.12320	0.8
183.13898	0.3
191.10759	1.0
195.13899	6.4
196.14627	1.1
205.12311	0.7
209.11821	100.0
210.12125	1.8
211.13426	0.5
223.13358	4.1
224.14087	0.3
225.11317	0.3
227.12869	12.3
228.13393	0.3
231.21091	0.6
235.08159	2.2
235.17056	0.4
242.06320	0.3
253.09274	16.7
256.13107	1.1
264.58710	0.3
265.21680	0.4
266.20230	0.3
275.20145	9.6
276.20865	0.3
293.21213	84.7
294.21414	1.9
445.20847	1.3
485.32523	0.4
492.22256	0.4
507.57828	0.3
529.30237	0.9
634.07104	0.3
734.80994	0.3
739.43134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14872	0.7
55.01871	0.8
57.03449	0.8
59.01376	10.8
59.51777	0.7
61.98830	3.9
71.01370	7.4
71.04993	2.7
73.02909	1.6
82.30077	0.7
83.04998	1.5
85.02918	1.4
85.94324	0.7
87.00870	1.1
89.02424	3.6
95.05040	0.8
97.02931	5.1
97.06577	1.5
99.00875	11.2
101.02456	4.3
101.97400	0.8
109.06549	1.0
110.03725	1.9
113.02466	1.9
119.03520	1.1
123.08151	1.0
125.09695	4.6
127.11268	1.4
128.43411	0.9
161.09584	0.9
163.11281	7.3
171.10248	8.4
179.10674	0.9
179.95988	0.7
181.12352	13.1
189.09076	1.0
197.11717	1.4
199.09792	1.2
199.13365	21.4
199.94360	0.9
201.11250	2.0
207.10262	30.7
208.10538	0.9
225.11314	57.7
226.11601	1.7
230.37056	0.9
235.08177	1.7
243.12350	15.4
253.09209	3.2
277.21716	42.1
278.21945	2.3
306.13275	1.1
319.42365	0.8
443.19275	1.3
451.86038	0.7
461.20352	9.3
479.21429	2.3
721.41254	4.5
739.42694	100.0
740.42877	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03440	1.2
59.01379	8.9
61.98827	0.8
63.04554	0.5
69.03424	0.7
69.44884	2.8
71.01380	4.1
71.05016	3.1
73.02946	1.0
75.47397	0.5
81.03464	0.6
83.05028	1.4
85.02932	1.3
85.39426	0.6
87.00864	1.2
89.02425	2.1
97.02956	3.2
97.06570	2.3
99.00883	12.8
100.83784	0.5
101.02434	4.2
109.06588	1.3
110.03730	1.7
113.02469	1.8
121.52132	0.5
123.08130	0.9
125.09727	5.0
135.08162	1.0
153.12878	0.7
161.04549	1.4
161.09695	0.9
163.11292	7.1
171.10217	3.4
181.12344	10.6
197.11722	0.9
199.13412	12.1
201.21257	0.6
207.10258	22.8
225.11319	39.6
226.11653	1.1
235.08224	2.3
243.12369	7.7
253.09308	3.8
259.20242	0.6
277.21713	66.3
278.22043	2.3
332.80786	0.7
443.19226	1.5
454.84427	0.7
461.20221	3.3
479.21347	1.2
598.25824	0.7
721.41650	6.0
739.42737	100.0
740.42688	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	740.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.98495	0.6
67.01887	17.1
69.03451	0.7
71.01369	1.3
71.05023	0.4
71.42140	0.4
81.03450	2.4
83.01370	2.4
85.02950	0.7
85.13824	0.4
93.03441	1.6
95.05035	2.9
96.96033	0.6
96.96956	0.4
97.02939	6.0
108.02165	0.6
109.02947	19.9
111.00869	16.1
113.02466	0.4
121.02924	2.7
122.03719	1.1
123.04517	12.8
125.02442	14.7
126.02858	0.5
127.00364	8.5
128.03555	0.5
133.02917	0.8
135.04507	1.7
137.02444	8.7
138.03224	0.7
139.04028	3.4
143.03531	5.0
143.04590	1.0
145.02928	1.2
146.03729	0.8
146.06107	1.1
147.04454	0.7
149.02429	3.5
150.03215	1.0
151.03993	6.4
159.04488	2.5
160.05316	1.1
161.02441	1.3
161.06100	4.2
162.03275	0.7
163.03967	1.1
164.01137	3.1
165.01906	2.9
167.03474	1.4
174.03241	0.5
175.03963	1.5
175.07602	1.9
177.01997	0.4
179.03485	5.6
182.81093	0.4
185.06071	0.8
187.03992	3.8
188.04758	3.2
191.05635	1.8
199.07710	0.6
201.05452	0.5
202.06314	1.8
203.07130	10.2
205.05060	7.4
212.04872	0.6
217.08682	0.5
221.08173	2.7
227.07088	2.1
230.05803	0.5
245.05597	0.8
245.08160	16.7
247.06087	0.7
288.06375	0.5
289.07159	100.0
290.07562	3.9
306.07596	2.0
307.08084	0.9
351.07147	0.7
352.10388	0.8
390.04980	1.0
450.21274	1.5
504.21155	0.4
516.78284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
57.47044	0.9
59.01391	8.2
60.99283	3.4
61.98809	1.4
64.25514	0.8
67.01886	9.8
68.52483	0.9
69.03445	2.4
69.26233	4.8
70.87214	1.0
71.01385	6.0
73.02941	1.2
81.03446	1.9
83.05014	2.9
85.02935	8.2
87.00874	14.5
87.11159	1.0
89.02423	1.0
90.05891	0.9
93.03457	75.3
99.00881	1.8
101.02425	1.9
108.02126	1.0
109.02980	5.8
109.03588	1.1
111.04519	12.1
113.02439	3.2
115.07602	2.3
116.92801	1.0
121.02925	1.0
125.55769	1.1
127.03990	2.8
129.01955	1.6
133.07404	0.8
135.04526	4.0
137.02417	1.7
140.01913	0.9
149.02412	0.9
151.03999	1.4
155.03481	7.5
160.05281	6.7
161.02487	1.7
173.04555	27.3
186.48695	0.9
187.07782	1.0
189.05582	1.0
191.05606	65.3
192.05856	1.1
212.02116	0.9
213.05563	1.7
223.07771	1.9
224.08363	1.6
232.03746	8.4
232.34796	0.9
239.10744	1.4
241.08704	1.2
243.92760	1.3
244.43806	0.9
247.05984	4.4
255.10336	2.1
257.04562	2.2
276.96979	1.2
285.07767	1.3
300.10049	2.8
301.03333	1.1
353.08832	1.4
357.09561	1.3
365.14395	2.1
446.23315	5.3
478.25574	4.4
522.25055	4.3
526.98602	1.0
548.22668	3.5
740.29242	100.0
741.29218	10.5
754.16461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.90163	0.9
69.90501	1.4
74.10238	0.5
81.95778	0.5
99.48399	0.5
103.47839	0.5
280.23547	0.8
399.14520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29350	0.1
53.42634	0.1
59.01380	1.3
61.98828	100.0
71.01379	0.2
73.02966	0.1
83.05024	0.1
85.02953	0.1
85.05411	0.1
93.03468	0.1
98.21869	0.2
101.02456	0.2
108.60246	0.1
113.02477	0.1
125.23494	0.1
134.03812	0.1
173.04622	0.2
173.73445	0.1
191.05632	0.5
192.26114	0.1
225.16153	0.1
226.16519	0.1
247.41884	0.1
331.70059	0.1
349.18900	0.2
442.79620	0.1
457.58829	0.1
587.71503	0.1
678.50537	0.2
679.50684	0.4
680.50836	0.9
740.49194	2.3
740.61694	0.2
741.50128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43300	0.5
59.01377	3.0
59.18940	0.5
68.91810	0.5
71.01366	1.5
71.42957	0.5
74.02460	0.8
85.02955	0.8
89.02433	0.8
101.02464	1.1
113.02440	1.5
116.58556	0.5
122.70388	0.5
128.03514	1.5
131.03818	0.6
143.04642	0.9
144.03537	0.7
144.04507	3.1
146.06113	100.0
147.06441	1.7
151.04083	0.6
161.04564	1.2
163.11259	1.6
185.32846	0.5
190.05083	20.0
191.05591	1.4
257.30783	0.5
306.07651	2.9
308.11310	1.4
352.10345	67.7
353.10666	3.0
387.16568	5.0
388.08063	4.3
388.17447	8.7
591.40131	0.6
651.85840	0.6
701.97510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11445	0.2
59.01364	0.5
62.02618	0.1
65.17432	0.1
67.01862	0.2
69.10609	1.0
71.01389	1.2
73.02948	0.3
80.46082	0.1
84.02161	0.3
85.02943	0.7
89.02438	0.3
95.01377	0.2
101.02434	0.7
109.02956	1.1
111.00903	0.3
113.02422	0.4
121.02946	0.5
123.00079	0.1
123.00840	0.9
123.04504	0.2
125.02443	0.6
137.02441	5.1
138.03181	0.2
139.00330	0.2
139.03978	0.3
149.02441	0.5
149.06071	0.2
151.00368	9.1
151.03969	0.7
152.01062	0.6
152.04776	1.7
153.01865	0.2
153.05511	0.4
159.04523	0.3
161.04582	1.0
163.04054	0.2
164.04773	0.3
165.01881	0.6
166.02707	37.9
167.03442	1.9
169.76993	0.2
174.03346	0.2
175.04013	0.6
177.01924	1.9
177.05481	0.2
179.03496	0.4
179.05693	0.2
179.07135	0.3
181.05057	58.4
182.05385	1.4
184.03787	0.2
189.05634	0.4
190.06331	0.9
191.03488	0.8
191.05446	0.3
192.04289	0.9
193.05051	0.6
195.02992	0.3
205.05139	0.4
205.08672	1.0
206.05917	0.2
207.06657	1.0
209.04494	0.3
219.06647	0.2
220.07292	0.2
224.03079	0.2
236.06874	0.2
258.08521	0.1
268.01901	0.2
268.07346	0.3
301.07144	0.2
309.07507	0.3
310.46487	0.2
314.07724	0.1
326.07602	0.2
329.10138	0.2
339.12238	0.2
357.09799	0.2
359.11298	1.2
371.14801	0.3
387.10797	9.0
388.11206	0.5
402.13171	7.5
403.13416	0.6
417.15518	100.0
418.15860	6.4
523.12225	0.3
567.11096	0.4
579.20862	0.5
741.16870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
58.00592	1.0
59.01376	100.0
60.01712	0.8
62.68625	0.7
69.18990	2.0
69.19396	1.8
71.01380	53.5
72.85947	0.6
72.99323	1.2
73.02946	1.8
83.01402	2.1
85.02950	7.8
87.00874	3.7
89.02440	66.9
90.02790	1.1
93.03453	1.3
95.01393	3.3
98.21883	1.4
101.02444	25.6
101.03096	1.4
102.84393	0.8
102.85023	0.8
105.49982	0.6
107.03487	0.8
108.02203	4.7
109.72624	0.8
113.02442	20.2
119.03506	26.3
121.02989	2.7
123.04516	6.3
131.03481	3.8
136.01672	3.2
137.02489	1.0
141.98003	0.7
143.03506	5.5
143.04538	1.0
149.04562	2.4
151.00378	1.7
151.04027	6.8
160.05307	1.5
161.04564	12.1
166.02710	5.8
179.05600	65.5
180.06010	0.8
181.05086	7.5
187.04063	1.7
188.04875	2.3
191.05637	1.2
203.07121	7.9
231.73820	0.7
235.07727	1.0
251.07315	1.1
261.05695	1.9
263.07156	1.8
267.06741	0.8
278.09738	0.9
279.06598	5.0
281.08127	0.8
291.06723	1.8
294.08847	3.3
309.11258	8.8
310.11673	1.0
327.08740	0.9
332.34192	0.8
339.12305	24.1
340.12698	1.5
357.13431	7.5
381.13455	1.9
382.76093	0.7
387.11279	1.3
397.39172	0.7
402.13251	0.9
410.25888	0.9
417.15479	13.6
489.17636	13.2
501.17642	45.7
502.17789	4.0
519.18750	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	741.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
57.03447	4.9
59.01377	62.9
67.01868	0.9
69.03451	3.3
69.58990	0.9
71.01382	78.6
72.01725	1.0
72.99326	1.4
73.02948	12.0
81.03455	2.2
83.01390	12.3
85.02950	46.1
87.00877	8.6
89.02447	37.3
89.03013	1.6
93.03432	2.2
95.01379	7.2
97.02950	5.9
99.00881	28.4
99.04565	0.8
101.02444	53.0
109.02929	3.2
111.00819	1.9
113.02448	50.1
119.03493	17.5
123.00877	1.5
125.02450	8.8
127.04081	1.2
131.03465	4.4
135.04572	2.0
137.02443	8.8
141.01938	1.3
143.03502	19.5
149.04544	1.7
151.00371	9.3
151.04015	1.1
152.01140	1.0
152.04764	1.5
155.03513	3.0
159.02980	3.7
161.04562	51.2
165.01906	1.0
166.02716	26.6
167.03384	1.9
173.04517	1.6
177.01926	1.6
179.05600	13.7
181.05063	23.0
182.05345	1.1
191.05592	4.6
203.05585	2.6
205.03416	1.0
221.06644	12.8
236.69836	0.8
245.06671	9.8
263.07657	8.3
305.08588	1.2
323.09827	100.0
324.10022	3.0
359.11450	1.0
387.10678	5.0
402.13300	1.3
409.82104	1.0
417.15591	9.1
487.94400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01377	100.0
61.98822	1.4
63.36250	0.8
69.25983	3.9
71.01378	8.3
73.02948	1.8
75.16195	0.6
81.03447	1.0
83.05026	1.0
85.02961	2.9
87.00919	1.2
89.02441	8.7
89.02840	0.7
92.05077	0.8
94.15309	0.7
95.05051	0.8
98.21885	1.6
101.02426	4.9
102.37951	0.8
103.00403	0.8
106.31334	0.7
107.05061	1.1
113.02481	3.6
119.03503	2.2
119.05077	0.9
134.07387	0.9
135.08211	0.7
139.04063	0.8
143.03516	1.0
149.09721	11.3
150.06865	0.8
153.09247	1.7
159.03006	1.1
161.04626	2.2
161.09773	1.7
161.13347	16.6
161.14574	1.2
167.10751	14.9
167.12045	1.1
171.10284	2.1
179.05637	3.4
187.11275	28.4
188.11748	1.5
189.09271	2.3
191.05730	1.8
203.14404	1.2
205.12315	38.6
206.12677	1.4
207.10371	1.0
207.13921	1.0
209.11923	1.1
225.15048	2.8
229.12411	1.1
231.10164	0.9
243.16055	1.4
247.13448	1.8
249.11356	1.2
253.09456	0.8
387.20407	1.2
405.21286	13.1
406.22003	1.2
530.11176	0.8
583.81927	0.8
593.33319	13.3
593.41724	1.2
594.33716	2.3
637.32263	8.9
637.40674	0.7
638.33093	1.5
655.33270	3.9
697.34320	32.3
698.35577	3.2
738.18042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87602	0.8
57.03441	2.3
59.01377	100.0
61.98824	5.8
70.48515	0.9
71.01379	10.3
71.05035	0.8
73.02955	1.9
81.03468	1.0
83.05037	1.1
85.02944	2.1
87.00865	1.8
88.98801	1.2
89.02437	6.2
92.05032	1.1
93.03452	1.9
96.96010	2.5
97.02982	1.1
101.02427	4.6
103.00378	1.8
107.05013	1.4
109.02993	0.9
111.04519	2.1
113.02444	4.7
119.03510	3.1
119.05006	3.9
123.04491	1.6
131.03497	1.4
134.86635	1.2
134.89482	14.7
135.04466	2.6
135.48999	1.0
135.89241	0.8
136.04076	1.3
139.03943	1.8
146.08221	4.0
149.09717	8.4
153.09215	1.8
159.11777	1.2
161.04523	2.4
161.09741	2.1
161.13332	11.0
163.04010	1.9
163.11380	0.9
167.10764	12.9
171.10291	3.6
173.04567	1.7
176.24442	0.9
177.01808	1.0
177.32785	0.9
179.05632	2.6
179.10768	1.8
187.09737	1.8
187.11272	20.7
187.12819	1.6
189.09224	1.9
191.05603	9.1
192.05920	1.5
199.09654	1.2
205.12326	32.7
206.12637	1.7
209.11827	10.4
217.11971	1.1
223.09720	1.6
225.14972	2.1
227.12801	2.1
229.12241	1.6
243.15970	1.4
247.13286	2.7
249.00262	0.9
249.11272	1.7
277.12320	1.9
387.20297	1.3
405.21310	11.8
465.20718	6.2
579.21436	1.0
593.33154	11.7
637.32220	8.9
645.31476	1.3
655.33051	3.5
669.31555	1.6
687.32214	3.4
697.34491	34.0
698.35114	3.0
741.38513	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	741.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50422	0.8
59.01374	7.6
61.98817	5.6
69.24709	1.4
69.25106	3.0
71.01381	4.0
73.02950	1.1
75.57078	0.6
81.03468	0.9
81.16716	0.7
83.05028	2.5
85.02948	1.8
89.02427	1.1
96.96009	1.5
101.02441	2.0
109.06579	1.6
113.02400	1.2
114.10363	0.7
118.00739	0.8
135.04520	0.9
149.06087	1.1
150.06871	6.1
161.04619	0.9
163.07597	1.7
163.11275	2.3
164.08444	1.2
165.12784	1.4
171.10242	2.7
172.10379	0.7
173.04590	1.2
177.09340	0.9
179.10756	2.3
189.09050	0.9
191.05620	7.5
199.09746	1.0
199.13365	1.1
201.11224	1.0
207.10197	3.4
209.11818	100.0
210.12137	3.9
225.11258	3.5
227.12888	25.7
235.08192	2.5
253.09309	5.8
259.15619	1.0
443.18729	0.8
445.20773	10.2
461.19922	1.3
463.21698	1.4
478.33136	1.5
493.35284	10.5
615.30121	1.1
637.31708	1.5
651.30573	1.1
655.33051	1.1
673.34320	1.8
741.34631	30.1
742.35339	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	741.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.2
60.42890	1.5
62.92181	1.4
67.08763	1.5
77.66866	1.4
101.42918	1.5
109.02223	1.5
109.71639	1.6
113.06799	1.4
172.20752	1.9
176.10100	1.6
209.11830	100.0
210.12148	3.5
219.52055	1.7
227.12927	26.9
235.08241	2.5
253.09264	4.3
445.20859	12.0
637.31763	2.7
673.35217	1.8
741.34656	31.6
742.35498	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	741.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.8
61.98830	29.3
66.32913	3.6
71.01379	24.1
71.18005	4.0
71.43916	3.7
73.02912	3.5
80.21234	3.2
82.95415	7.0
83.05025	5.7
85.02933	13.6
87.00847	4.2
89.02410	6.9
93.03439	11.7
96.95983	4.3
97.44003	3.7
99.00933	3.8
101.02438	11.2
109.06615	19.2
113.02464	5.2
125.09690	6.3
133.17722	3.7
135.04523	5.2
135.08138	4.1
161.04588	4.7
163.11270	11.0
171.10249	15.6
173.04604	5.3
181.12386	5.4
191.05620	88.5
192.05922	16.2
199.09663	10.5
199.13377	5.4
201.11290	28.3
202.79254	3.5
205.08656	4.8
207.10312	37.7
209.11819	100.0
210.12148	3.7
225.11328	40.3
226.11700	4.1
227.12866	27.7
235.08148	11.0
243.12491	3.9
253.09344	13.5
312.42010	3.7
331.19290	4.2
357.65027	4.2
395.20230	4.2
445.20782	7.8
461.20157	9.8
549.22864	4.9
560.90765	4.0
651.29077	8.1
653.31970	5.5
655.33130	7.3
673.33667	4.3
687.32397	6.2
697.37811	5.9
705.33441	15.6
741.33704	38.2
742.34833	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	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
57.04746	0.5
59.01379	7.3
61.98829	2.7
71.01382	4.8
73.02942	0.9
80.02674	1.0
81.03446	0.7
83.05010	2.8
84.02158	0.6
85.02934	1.0
87.00868	1.3
89.02444	2.4
95.01402	0.7
101.02439	3.5
111.12564	0.5
113.02423	1.7
119.03472	0.7
125.09704	2.2
127.11299	2.0
135.08072	0.6
145.05132	0.6
155.10817	1.0
161.04530	1.6
163.11269	2.6
165.09215	0.9
165.12883	2.6
171.10277	1.2
179.05656	0.9
191.10800	1.0
201.11314	41.0
202.11560	0.9
209.11826	86.5
210.12132	3.3
227.12912	10.0
235.08238	7.4
253.09273	15.4
277.21713	100.0
278.22076	5.1
426.51477	0.6
437.20313	1.8
443.31604	0.9
445.20813	1.3
461.32663	0.7
513.30597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
59.06249	0.9
61.98837	1.5
71.01389	3.9
73.02948	0.9
81.64389	0.7
85.02931	1.1
85.59210	0.8
89.02425	1.9
93.03460	0.8
95.50620	0.9
101.02432	1.5
102.95326	0.7
113.02412	5.2
125.02446	0.9
128.03526	1.0
131.03662	1.0
132.04584	0.9
144.04532	3.6
146.06117	100.0
146.65265	0.8
147.06485	3.8
161.04591	2.0
162.05573	2.7
172.04080	4.0
190.05113	22.9
191.05540	3.2
232.06107	2.4
275.07773	1.0
308.11343	1.3
352.10358	67.0
353.10559	3.7
466.13040	1.0
628.18732	13.0
742.22070	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	742.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01377	0.9
59.09371	0.2
69.03452	0.2
71.01369	0.5
73.02949	0.4
84.88690	0.2
85.02944	5.1
87.00882	1.1
93.03446	2.6
96.04553	0.8
109.02927	0.4
111.04506	0.8
125.09743	0.2
127.04014	1.5
133.02922	1.0
135.04523	1.1
137.12512	0.2
146.06161	0.3
155.03548	0.2
160.16914	0.2
161.02425	1.6
169.08685	0.9
171.03008	0.6
173.04539	1.2
179.03494	0.9
191.05602	100.0
192.05981	2.5
200.09209	1.0
238.18057	0.2
266.13895	0.3
272.68176	0.2
306.07614	0.4
307.08072	0.2
329.51022	0.2
334.08633	0.2
345.44275	0.3
351.07053	0.3
353.08752	16.2
354.09061	1.2
388.14758	0.3
388.19635	3.9
389.19772	0.5
391.04285	0.6
432.93863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
60.99958	0.2
61.98827	100.0
62.98523	0.3
78.91926	0.2
84.70419	0.2
88.98834	0.3
102.91741	0.2
115.38888	0.2
125.32274	0.2
149.12936	0.2
165.99905	0.2
175.80652	0.2
281.24893	0.4
293.42361	0.2
398.13843	0.3
399.14078	0.3
583.28619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.98828	100.0
62.98537	1.5
62.99244	0.6
63.99254	8.3
64.48141	0.2
69.03448	0.2
70.83173	0.2
70.83543	0.2
71.01379	0.5
73.02968	0.2
75.00903	0.1
81.03460	1.3
81.92536	0.1
83.01394	0.8
85.02946	0.3
85.48587	0.1
91.05554	0.2
93.03493	0.5
95.01396	0.3
95.05022	0.8
96.96025	0.2
97.02952	0.8
98.22587	0.2
99.04530	0.3
105.03461	0.2
107.05003	0.3
108.02200	0.2
109.02962	0.6
109.06558	0.2
111.04546	0.5
113.02473	0.5
121.02975	0.5
122.03751	0.3
123.04527	1.7
125.02451	1.9
131.05025	0.2
133.02922	0.2
134.03822	0.2
135.04549	0.5
137.02454	0.9
137.06088	0.6
139.03996	0.8
147.04588	0.3
147.08142	0.2
149.02455	0.8
149.06108	0.5
150.03244	1.4
151.04051	0.5
155.03500	0.2
163.04042	0.3
164.04796	0.5
165.01929	0.3
165.05559	1.9
166.02632	0.3
167.03494	3.3
173.04628	0.3
173.06042	1.5
175.00386	0.2
179.03534	0.7
180.04388	0.4
181.05067	0.3
185.79906	0.2
190.02730	0.3
191.03723	0.3
191.05643	0.6
193.05251	0.2
195.06609	1.3
197.04622	0.7
197.77141	0.1
205.05066	0.4
209.04538	3.1
213.09239	1.4
219.03015	0.2
223.06166	0.3
225.09285	0.3
227.10783	0.3
229.08784	0.5
231.10332	0.1
239.05540	1.6
255.10405	0.2
257.08191	2.8
269.08258	0.7
272.10657	0.2
281.08392	0.2
283.09763	0.4
287.09476	0.2
297.11465	0.3
299.09283	3.1
311.09335	1.4
311.12698	0.3
312.09799	0.3
325.10788	0.3
329.10269	1.0
330.10599	0.2
332.31778	0.1
338.07950	0.2
339.08853	0.2
341.10269	18.6
342.10641	1.2
353.10303	1.1
355.12457	0.2
367.10535	0.2
371.11328	14.1
372.11755	1.2
383.11368	0.8
401.12387	4.5
402.12775	0.4
407.11047	0.2
413.12552	0.3
425.12698	0.6
443.13477	1.2
455.13541	0.3
459.18701	0.2
461.14456	2.3
473.14572	0.8
474.14929	0.2
491.15558	0.7
507.20761	0.2
551.06909	0.2
581.18542	1.0
605.18567	0.3
623.19604	0.8
635.19592	0.2
653.20148	0.2
725.23376	0.4
742.49811	1.5
743.24255	1.3
743.50574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.00591	0.8
59.01378	55.3
61.98824	2.0
69.03450	4.4
71.01381	34.2
71.25063	0.8
72.99310	0.8
73.02941	1.3
73.43840	0.5
80.15104	0.4
83.01366	1.5
85.02959	6.2
87.00885	2.4
87.04490	0.9
89.02441	47.2
93.03460	1.0
95.01375	2.2
96.95987	1.4
97.02980	0.5
101.02444	16.7
107.03515	0.6
109.03016	0.6
113.02451	28.7
119.03501	18.3
125.02434	0.6
131.03528	2.9
135.04497	1.6
139.04018	1.1
143.03499	5.0
149.04555	1.6
161.02443	0.6
161.04564	7.8
163.11307	0.6
163.59811	0.6
173.04601	0.8
179.05603	100.0
180.05969	1.7
191.05588	2.5
205.08635	1.2
209.08220	2.0
209.11829	2.9
227.12874	0.7
249.05551	0.6
250.93454	0.6
281.08688	1.0
293.08942	1.0
325.03018	0.5
341.10846	13.0
371.11453	0.8
378.80844	0.5
397.79752	0.5
422.79907	0.6
467.19266	0.8
468.93765	0.6
515.21027	3.0
629.24500	10.9
630.25336	0.7
645.31384	0.7
743.27264	1.2
743.39642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
57.03431	2.1
59.01375	52.6
62.89430	0.7
69.03450	11.7
71.01376	38.6
71.05012	0.9
72.99306	1.0
73.02935	12.6
83.01369	4.8
85.02950	17.4
87.00853	2.4
87.86929	0.7
89.02439	25.1
93.03442	0.7
95.01384	3.4
95.59815	0.7
96.96022	0.9
98.00072	0.8
98.51677	0.7
98.95660	0.7
99.00874	3.7
101.02434	33.2
101.06083	1.5
102.02779	1.0
113.02444	86.7
114.02824	1.7
116.92885	0.7
119.03492	9.5
121.32094	0.7
125.02424	1.3
130.78625	0.7
131.03506	1.4
139.03952	0.8
143.03459	3.8
147.74934	0.7
149.04538	1.2
150.03194	0.9
153.05504	0.9
159.02960	2.6
161.03206	1.5
161.04543	23.7
163.03989	0.9
165.05537	0.9
168.55644	0.7
179.05598	25.6
179.07162	1.6
179.16028	0.8
185.57529	0.8
191.05598	2.5
195.06824	0.8
208.03603	0.8
223.06148	2.4
231.10442	0.8
249.09715	1.2
251.11337	100.0
252.11693	3.0
253.52711	0.7
263.11328	13.8
272.72028	0.8
273.30667	0.7
318.35422	0.8
321.15683	0.8
331.43338	0.7
349.28555	0.8
365.14474	17.8
366.14877	1.0
377.14474	22.4
377.19031	1.3
378.14874	1.2
419.13434	1.3
589.69580	0.8
695.50696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73468	1.2
59.01376	27.7
61.98831	20.8
66.65501	1.1
71.01387	22.4
73.02947	4.1
81.03458	1.3
82.95429	3.3
83.01388	2.0
83.05033	5.0
84.02152	1.1
85.02951	4.1
87.00865	1.9
87.19534	1.6
89.02450	8.0
92.05050	1.9
93.03450	4.1
95.05011	1.3
96.96022	3.4
97.02982	1.9
99.00871	2.9
101.02431	7.9
108.19944	1.1
109.02946	2.0
109.06590	3.9
113.02457	8.0
117.27647	1.2
119.03532	2.1
121.02970	1.7
123.04430	1.6
125.09734	3.3
127.11308	2.4
135.04501	3.6
135.08119	1.4
137.05933	1.2
139.04007	3.5
141.01852	1.2
143.03564	1.4
150.06865	2.8
155.10779	1.9
161.04559	4.1
163.07594	1.5
163.11295	6.9
165.12807	2.8
171.10275	24.2
173.04575	3.7
179.05658	2.1
179.10808	1.8
181.08672	2.1
181.12384	5.3
183.10252	1.3
191.05602	15.9
199.09775	11.4
199.13429	6.2
201.11324	41.0
201.13174	2.8
205.12315	5.5
207.10237	14.0
209.11823	100.0
210.12143	3.5
225.11316	22.9
227.12900	24.4
229.75742	1.3
235.08255	4.4
238.21751	1.2
243.12367	5.1
253.09271	12.0
287.12653	1.3
328.70801	1.2
331.11664	8.9
435.18793	2.8
443.18875	1.4
445.20621	3.0
461.20135	8.4
475.15689	2.3
479.21149	1.6
495.36658	3.7
609.29138	3.3
617.31616	1.6
627.30298	4.9
635.30573	3.9
645.30945	3.3
653.30762	6.4
671.32800	7.7
681.37402	1.5
689.33929	8.0
707.34930	17.8
708.35339	2.8
725.30756	1.3
743.33777	3.9
758.49866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88994	0.9
57.03436	1.7
58.00644	1.0
59.01378	23.1
61.98823	6.0
69.03465	1.1
69.59277	0.9
71.01379	18.2
71.43880	1.2
72.99308	1.1
73.02959	3.7
80.02685	1.6
81.03451	2.6
82.95412	3.7
83.01372	1.4
83.05021	5.6
84.02145	1.1
85.02946	4.4
87.00877	2.8
89.02451	4.5
92.05037	1.7
93.03468	2.6
94.52609	0.9
95.05051	1.7
96.96010	3.0
99.00905	2.0
101.02440	7.0
109.02975	1.1
109.06591	5.5
111.04591	1.2
113.02472	4.9
119.03503	2.2
119.05003	1.1
123.04548	1.8
125.06118	1.4
125.09689	1.8
127.11298	3.0
132.48183	1.0
135.04538	3.7
135.08176	1.8
137.02448	2.8
137.09726	1.1
139.04025	3.0
139.69922	1.0
145.05003	1.2
152.01141	1.0
161.04567	2.6
163.11322	5.0
165.09183	1.3
165.12848	1.9
171.10254	23.7
173.04559	2.3
179.03575	1.7
179.05554	1.6
181.08682	1.1
181.12366	3.4
191.05612	12.8
199.09769	13.4
199.13426	3.4
201.11308	30.9
207.10266	15.5
209.11830	100.0
210.12234	3.9
222.65080	0.9
225.11316	23.9
227.12886	21.4
235.08199	6.7
243.12354	2.4
253.09286	14.1
368.15335	0.9
399.21744	1.2
407.18890	1.5
417.17667	1.0
435.18765	3.6
443.18875	1.2
444.31326	0.9
445.20682	2.7
461.20331	6.6
479.21298	2.3
521.27594	2.6
609.29120	4.4
627.30292	6.6
635.30402	2.1
645.31213	4.4
653.30695	8.5
671.32813	6.5
672.33740	1.4
689.33618	4.6
699.38245	2.9
707.34943	9.0
708.34070	1.3
725.31494	2.7
743.33002	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	743.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.6
58.99985	1.4
59.01379	92.8
61.69451	1.5
61.98824	6.7
71.01380	21.7
72.99251	1.7
73.02943	6.9
77.21868	1.6
82.95413	4.0
83.01386	3.4
85.02948	11.5
87.00883	4.4
89.02438	4.5
93.03471	3.2
95.01403	1.6
96.96005	6.3
97.02982	2.4
97.06611	1.8
99.00870	2.4
101.02465	7.7
101.11974	1.7
108.13235	1.6
109.06586	4.4
111.04594	1.8
113.02473	10.0
119.03404	2.3
135.04552	3.4
137.09705	10.7
150.02655	1.6
151.07628	5.5
161.04584	2.4
163.07695	3.1
171.10159	1.8
173.04532	5.3
183.06592	2.8
191.05606	13.6
197.11823	1.9
199.09607	2.2
207.10240	1.8
209.11852	10.2
211.13306	2.8
227.12903	3.4
233.39980	1.5
243.02010	1.5
253.09311	2.3
300.48157	1.8
401.35376	1.6
409.37555	1.6
437.48434	1.6
495.33316	3.7
621.35486	2.0
639.37439	100.0
640.37585	13.6
657.38647	22.1
658.38379	3.8
681.39142	2.6
699.39587	12.2
700.40283	1.8
743.35516	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	744.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72963	0.3
57.03440	0.4
59.01376	3.3
59.76834	0.4
60.99287	1.1
61.06000	0.3
61.67301	0.3
61.98812	1.0
67.01888	2.5
69.03452	0.8
69.95289	0.4
69.95625	0.6
71.01382	3.6
73.02939	0.9
81.03463	0.6
83.01389	0.4
83.05019	0.6
85.02946	5.0
87.00387	0.6
87.00871	5.0
89.02435	1.5
93.03458	18.8
94.03881	0.3
97.02917	0.6
99.00881	1.5
99.04514	0.4
101.02439	1.6
109.02955	0.5
111.04510	3.9
113.02437	1.9
119.03553	0.6
119.05027	4.9
125.02491	0.5
127.03992	0.8
129.01927	0.9
135.04443	0.4
137.02475	0.3
144.04550	1.4
145.02946	1.2
145.05319	0.6
146.06119	22.2
147.06454	7.0
155.03473	0.6
161.02396	0.5
161.04526	1.4
163.04013	6.7
171.02960	0.4
173.04535	5.8
179.05602	0.8
190.05055	3.5
191.05606	100.0
192.05879	1.8
228.00682	2.8
229.00981	1.2
277.09274	7.6
309.11508	0.4
337.09296	30.4
338.09579	1.6
338.19592	0.5
348.20914	0.3
352.10318	5.0
353.10806	3.5
390.05777	0.6
391.04324	0.7
391.12350	1.1
406.22366	1.4
407.22723	1.1
458.80453	0.3
507.21240	0.4
744.17236	2.1
745.16895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03284	0.6
59.01371	3.2
64.45431	0.6
69.91560	1.1
69.91892	0.8
71.01360	1.3
73.02935	0.8
83.01414	0.7
83.05022	1.7
87.00863	1.0
89.02438	1.7
97.41973	0.5
98.64540	0.9
101.02428	2.8
113.02419	1.0
135.88025	0.7
161.04573	1.5
163.11264	1.5
165.12767	1.0
191.10556	0.7
209.11821	62.7
210.12291	1.5
227.12878	7.5
235.08263	6.1
253.09308	6.4
255.23282	100.0
256.23532	3.1
268.92148	0.6
342.51428	0.7
405.66272	0.9
445.20700	0.9
491.32251	1.6
522.33899	0.7
651.76923	0.7
747.03162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01373	2.8
66.08579	0.4
71.01371	1.5
73.02953	0.5
85.02513	0.4
85.02953	2.8
89.02433	1.3
93.03471	0.9
95.05029	1.4
96.96011	1.8
98.22655	0.7
101.02449	1.7
103.04008	13.5
108.02188	0.6
111.04508	0.7
113.02461	1.0
121.02966	0.6
122.02884	0.7
122.03736	6.8
124.01649	1.0
128.92313	0.4
135.04488	0.6
136.01645	3.2
137.02396	0.8
139.04012	16.1
149.02451	1.2
150.03207	2.9
151.04031	0.9
159.08153	3.5
162.08488	0.5
165.05554	3.6
166.02725	1.0
171.10268	1.1
173.04446	0.6
177.09204	40.7
178.09525	1.7
181.05037	0.7
191.05582	1.3
194.36429	0.4
195.06676	2.7
201.11256	0.7
201.84239	0.4
209.11818	3.5
221.08182	100.0
222.08527	2.3
227.12982	1.0
307.11859	31.8
308.12238	0.7
348.90839	0.5
349.13031	0.5
383.13480	3.7
387.14444	1.3
417.61264	0.5
445.20792	0.6
469.17120	65.8
470.17297	3.2
535.19910	2.5
561.28796	0.8
583.20935	2.5
631.22437	2.0
727.30194	0.6
745.24609	2.1
765.25592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.7
59.49826	0.9
60.85669	0.9
61.98829	4.3
62.32484	0.9
62.39886	0.8
66.74706	1.0
69.06805	0.9
69.14949	4.3
71.01372	2.6
85.02931	2.0
89.02454	3.2
93.03436	4.8
96.96010	16.4
101.02419	1.3
108.02132	1.6
109.02979	1.4
111.49396	1.0
113.02440	2.4
121.02956	13.2
122.03743	18.3
123.00838	1.3
123.04559	1.5
125.02454	1.0
133.02966	2.0
134.03740	1.9
135.04556	7.9
136.01660	18.9
137.02437	3.1
138.03152	0.9
139.04041	1.3
149.02435	24.7
149.06004	0.9
150.03221	97.4
151.00420	5.1
151.04016	24.4
152.01186	1.4
152.04837	1.0
163.04015	3.2
164.04810	6.0
165.05563	100.0
166.02708	17.1
166.05898	4.1
167.03476	3.7
172.05368	2.3
175.04013	4.4
175.07529	1.0
177.05519	2.4
180.04291	5.9
181.03596	1.5
181.05072	19.7
181.06541	0.7
183.60120	1.0
187.07619	1.3
189.05548	3.2
190.06329	6.6
191.03629	0.9
191.05544	2.2
195.06625	64.1
196.06897	2.9
205.08685	3.4
221.08083	1.3
229.17760	0.9
266.05643	1.3
282.05353	1.7
315.08694	1.7
329.10330	3.0
339.61725	0.9
342.11017	2.8
356.12482	2.2
357.09647	3.2
357.13400	9.0
369.13364	2.0
372.12061	3.7
373.12875	1.0
377.93622	1.0
386.13663	2.2
387.14490	57.0
388.14761	4.0
411.34561	1.1
438.90945	0.9
441.29233	0.9
445.20853	1.2
490.16342	1.2
505.18436	4.4
535.19708	62.3
536.20172	8.3
553.20789	1.6
565.20825	3.4
578.45270	1.1
583.21838	50.2
584.22064	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.5
65.14129	2.5
93.03462	4.7
96.09099	2.2
96.95985	3.5
98.52110	2.4
103.29961	2.3
106.65308	2.0
120.01300	2.3
121.02960	13.6
122.03745	17.1
125.02428	3.9
133.02942	4.1
134.03694	3.0
135.04514	8.2
136.01645	20.1
137.02411	3.9
146.06097	2.8
149.02419	19.8
150.03218	92.5
151.00366	3.8
151.04004	29.4
163.04019	2.7
164.04742	6.0
165.05565	100.0
166.02708	17.1
167.03415	3.2
175.03961	4.4
177.05531	3.1
180.04274	4.9
181.05042	15.7
189.05525	2.5
190.06360	9.5
191.05621	6.7
195.06619	62.2
196.07036	2.9
315.08728	3.7
338.14258	2.2
357.09570	3.9
357.13321	7.2
372.12119	3.7
386.13507	2.5
387.14459	49.5
388.14886	5.2
412.44257	2.9
414.90930	2.9
446.42392	2.4
497.27603	41.0
505.18558	5.9
535.19720	67.1
536.19824	7.7
565.20758	4.1
583.21747	51.2
584.22156	5.7
748.93939	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
57.25851	0.7
58.00564	1.0
59.01378	55.7
61.98821	3.7
67.70012	0.8
69.42551	1.4
69.42966	3.3
71.01380	33.9
71.01785	1.6
72.99316	1.0
73.02946	3.1
83.01390	2.5
85.02943	8.8
87.00876	2.0
89.02444	33.6
93.03468	4.7
95.01386	2.9
97.43879	0.9
98.22593	2.0
101.02438	15.7
102.98573	1.0
113.02460	12.0
119.03506	16.0
120.53664	0.9
121.02966	6.5
122.03749	16.6
123.00903	0.9
123.04510	1.2
131.03554	1.4
133.02997	1.5
135.04530	1.4
136.01662	1.3
138.03290	1.6
143.03487	2.8
149.02449	21.5
149.04430	0.9
150.03226	100.0
151.03630	3.3
153.05595	2.0
160.05246	0.9
161.04559	5.1
164.04829	4.8
165.05566	82.7
166.05901	2.6
179.05605	13.2
180.04271	5.8
191.05669	1.5
195.06618	40.1
203.07141	1.5
219.04961	0.9
256.48865	0.9
266.05804	0.9
277.05005	1.4
278.06110	1.2
283.09903	1.5
294.05200	1.5
309.07764	2.5
310.08389	1.0
324.09900	4.1
325.10541	1.0
326.11569	1.5
339.08667	1.0
339.12344	9.6
341.13983	1.0
357.13467	3.1
369.13358	10.1
370.13947	1.1
449.16046	2.5
461.16016	1.2
505.18747	3.6
517.18671	6.2
519.18884	3.3
531.18622	5.5
532.18665	1.0
535.19727	21.0
536.20209	2.5
565.21173	0.9
583.21509	2.7
679.24225	1.8
697.24884	24.0
698.25037	3.0
745.27240	22.2
746.27460	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	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
61.98832	2.0
71.01385	4.7
73.02560	0.3
73.02971	0.4
74.22910	0.4
81.02069	0.4
85.02946	0.8
89.02441	5.3
93.03450	3.2
95.01385	0.6
101.02454	1.9
105.34118	0.4
105.96507	0.3
107.05098	0.3
107.25084	0.3
108.02165	1.0
109.02951	0.5
113.02464	1.7
113.77478	0.3
116.92881	1.3
119.03517	1.4
121.02960	4.8
122.03737	12.2
123.00886	0.8
123.04540	0.6
124.01675	0.7
133.02965	1.3
134.03743	1.1
135.04485	0.9
136.01668	11.1
137.02489	2.1
143.03574	0.5
147.04599	0.5
149.02443	12.5
150.03224	89.3
151.00375	2.7
151.04022	12.3
152.04616	0.7
161.02455	0.9
161.04591	0.7
162.03223	1.4
164.04794	3.2
165.05565	100.0
166.02713	7.7
166.05898	2.9
167.03418	0.6
169.75906	0.4
175.03989	1.1
177.02089	0.7
177.05582	1.3
179.03606	0.4
179.05598	1.2
180.04277	7.2
181.05051	9.7
182.05231	0.4
189.05528	0.8
190.06380	1.3
191.03513	0.6
191.05511	0.5
192.99420	0.3
193.05133	0.6
195.06621	96.3
196.06961	3.0
207.06461	0.4
221.08237	0.4
309.07330	0.6
329.10312	0.8
342.10977	1.4
357.09592	2.9
357.13333	7.0
358.14148	0.4
369.13437	0.6
372.12051	2.4
387.14499	28.3
388.14661	1.6
400.61194	0.4
459.58069	0.4
505.18881	0.6
535.19812	3.6
536.20148	0.6
553.20630	1.4
565.20477	0.8
583.21820	24.8
584.22534	2.3
718.81287	0.4
765.90747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.365
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.21615	0.7
55.25534	0.7
59.01377	29.7
70.88167	0.8
71.01366	1.8
90.71982	0.7
101.02460	1.1
106.45699	0.7
108.02187	2.1
121.02980	1.8
123.04536	1.4
140.15273	0.7
149.41663	0.8
152.01189	1.6
153.05516	0.9
166.02715	1.0
167.03482	5.3
168.04308	0.9
177.01938	0.8
186.66100	0.8
191.03595	0.7
191.05655	1.5
192.04370	1.3
193.01308	1.3
207.06630	1.2
208.03789	1.1
223.06065	2.2
252.85489	0.7
268.13376	1.0
274.08722	0.7
319.22751	1.7
423.70215	0.8
456.80746	0.7
463.21021	0.7
463.26993	15.1
464.27664	1.1
481.28088	28.4
482.28271	2.9
523.29108	100.0
524.29480	6.1
583.18140	4.0
647.16815	0.8
685.34583	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	746.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01377	12.3
61.98827	4.9
69.03432	0.8
70.75298	1.8
71.01378	5.5
73.02950	1.4
73.98450	0.7
79.88010	0.8
80.02665	2.0
81.03465	3.1
83.01379	1.4
83.05022	7.9
85.02939	1.5
87.00890	1.5
89.02451	2.9
93.03464	2.0
95.05009	1.4
96.95992	1.0
97.02946	4.7
97.06566	1.0
99.00894	0.9
101.02441	4.6
107.05018	1.0
109.06591	22.5
110.03719	1.8
111.04569	0.7
113.02455	3.3
116.92828	0.9
119.03534	1.2
121.06587	1.9
125.09707	1.9
135.04472	0.9
135.08170	2.8
136.05336	0.8
139.03989	0.9
161.04564	2.2
161.09698	1.5
163.11290	16.8
165.12846	2.5
171.10262	1.8
173.04529	2.1
178.02704	0.8
181.12334	3.4
184.97777	0.8
185.11845	2.0
189.09203	1.9
191.05612	4.7
207.10254	58.9
208.10562	1.9
209.11819	100.0
210.12135	2.9
223.13432	1.2
225.11320	27.5
226.11685	1.4
227.12875	14.8
231.10164	1.4
235.08148	3.6
247.13417	0.9
249.11304	2.0
253.09288	9.6
262.04245	0.8
265.14444	1.0
299.14926	1.2
373.23749	1.0
398.44543	0.8
399.21667	4.5
417.22986	4.9
443.19046	4.0
445.20486	2.7
461.20139	7.9
509.29608	0.8
609.29218	1.0
627.29840	1.2
635.30719	22.3
636.30939	2.3
653.31775	21.5
654.32019	2.5
671.32813	29.6
672.33099	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	747.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.0
60.01701	0.2
65.03965	0.3
69.03431	0.4
69.71696	0.3
69.72054	0.5
71.01379	3.9
73.02940	4.1
83.01382	1.3
85.02940	0.9
89.02450	2.1
93.03454	49.5
94.03785	0.9
96.96053	0.3
101.02435	4.5
101.60271	0.2
113.02451	3.1
115.22946	0.2
116.92828	0.5
118.63816	0.2
119.03474	1.4
121.02918	0.6
125.02409	0.2
129.06792	0.2
131.03458	0.6
134.03726	0.9
135.22498	0.2
137.02440	100.0
138.02777	1.8
143.03491	0.4
149.04520	1.3
150.03279	0.3
151.47067	0.2
153.05562	0.3
161.04561	1.7
165.05484	0.4
178.02719	0.4
179.05544	0.4
191.05595	1.5
193.05046	1.3
195.06544	0.2
203.05673	0.3
221.06703	0.6
247.11832	0.5
250.80701	0.2
289.12863	0.2
299.07718	20.1
300.08054	0.7
407.38663	0.2
407.98016	0.2
413.10916	0.7
416.75714	0.2
585.19513	0.3
704.13623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.9
61.98832	1.3
71.01380	2.1
71.04984	0.3
73.02950	0.3
75.00880	0.4
80.02680	0.7
81.03462	1.3
83.01345	0.4
83.05023	3.5
84.02155	0.7
84.05373	0.3
85.02939	0.8
85.65765	0.3
87.00909	0.4
89.02446	1.5
93.03451	0.6
95.05013	0.5
96.82959	0.2
96.95985	0.3
97.02944	0.2
99.92593	0.3
101.02436	1.7
102.37035	0.3
113.02435	1.0
116.92810	0.3
125.06077	0.6
127.98294	0.2
135.08148	0.6
137.02309	0.2
148.82864	0.3
161.04529	0.7
163.11282	3.5
165.12827	1.5
171.10243	1.0
179.05556	0.3
181.12306	0.4
191.05627	1.0
191.10791	0.8
193.73044	0.2
201.11208	0.3
207.10223	0.3
209.11821	100.0
210.12135	4.8
216.21657	0.3
221.08167	0.2
225.11385	0.3
227.12885	15.1
228.13177	0.8
235.08287	1.6
247.13365	0.4
253.09268	4.8
254.09528	0.5
401.23364	0.4
445.20712	3.5
446.21191	0.5
449.68271	0.3
634.31604	0.6
637.32507	1.0
655.32788	0.3
704.37579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65181	0.4
54.70003	0.4
59.01354	0.7
63.06802	0.5
69.03452	7.3
71.01379	2.1
71.05497	0.6
78.62241	0.4
81.03448	0.8
82.31483	0.4
83.01398	0.5
85.02943	1.1
95.04990	0.6
97.02944	0.9
98.00091	0.7
101.02432	0.8
107.05049	0.5
109.02941	3.1
113.02441	57.1
114.02750	0.9
121.02946	0.9
122.03706	2.8
123.04534	2.1
125.02435	3.4
125.40913	0.4
131.03419	0.5
135.00850	0.5
135.04538	0.8
137.02446	1.9
138.03270	0.5
147.80179	0.4
149.02425	0.8
150.03241	2.8
151.04027	2.0
153.01933	8.2
153.05565	4.2
159.48668	0.4
161.04536	3.1
161.05919	0.8
164.01181	0.4
165.05576	0.4
168.04266	19.5
169.04616	0.5
175.03973	0.4
179.03484	0.9
183.06602	100.0
184.06917	2.2
188.04697	0.4
191.05592	0.4
202.06346	0.5
203.07126	2.0
205.05008	0.8
221.08139	0.7
245.08208	2.2
275.07703	0.6
289.07147	14.7
290.07364	0.7
345.11850	7.6
353.68256	0.4
406.22226	1.0
450.27942	0.5
459.14981	9.6
543.55554	0.4
556.18933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41364	2.0
53.80194	1.6
58.02957	3.1
61.98822	8.8
69.19759	11.7
73.04048	9.9
74.02462	10.2
82.89142	1.7
85.04072	3.4
86.02496	2.3
87.05640	8.0
96.03301	1.9
96.96008	3.8
97.04066	2.9
99.02007	3.2
104.03533	5.7
110.02462	4.7
113.03547	3.3
115.08750	7.1
116.15868	2.2
119.79066	1.9
126.06720	3.3
129.06679	10.2
129.10330	4.4
130.06172	2.1
137.02454	2.2
137.07199	4.6
144.07768	9.8
146.06113	3.9
151.08746	4.5
155.08292	3.3
160.07648	6.6
168.07759	7.6
168.11433	3.0
172.07693	9.5
172.10905	3.1
186.08888	13.4
186.12485	15.5
190.08676	3.0
191.05608	7.4
193.13434	8.7
210.16135	4.2
211.14503	3.8
212.10413	2.5
215.08250	5.9
217.38989	2.0
221.09241	3.4
225.13509	3.9
228.17114	8.3
243.10977	2.5
267.14679	6.5
267.18182	11.0
285.19363	7.6
306.76254	2.4
385.12479	2.0
398.24139	11.1
633.33698	2.4
645.32709	2.1
720.35620	37.7
721.36310	6.1
732.36163	4.2
750.36792	100.0
751.37207	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	751.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.2
59.01376	3.7
59.86794	0.2
60.67616	0.2
60.99300	0.2
62.25590	0.2
67.01888	0.3
69.03459	0.2
71.01372	1.5
71.40712	0.2
72.36967	0.2
73.02937	0.4
81.03442	0.2
81.40611	0.2
85.02462	0.3
85.02948	5.5
87.00893	1.6
89.02435	0.5
89.82272	0.2
93.03457	5.5
94.03792	0.2
99.04499	0.3
101.02403	0.5
108.02208	0.2
109.02934	0.7
111.04513	0.9
113.02432	0.9
113.06055	0.2
116.92862	0.3
119.03452	0.3
119.05042	1.3
121.02949	0.5
127.04019	1.5
137.02452	3.7
138.02792	0.3
139.04120	0.2
143.03450	0.3
145.02943	0.8
147.24391	0.3
153.01753	0.2
153.05554	0.3
163.03995	1.6
167.03520	0.4
168.83929	0.2
171.02989	0.5
173.04555	2.8
174.44095	0.2
179.05600	0.2
191.05608	100.0
192.05937	2.1
195.63634	0.2
232.55974	0.2
299.07773	0.6
320.70474	0.2
337.09274	31.0
338.09537	1.0
371.09921	0.3
408.68646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97749	0.4
54.34591	0.4
55.01884	0.5
59.01373	4.8
61.98820	3.0
71.01396	1.9
72.75878	0.3
73.02951	0.6
80.02723	0.5
81.03456	0.8
83.05024	2.1
84.02156	0.6
85.02930	0.5
89.02430	1.5
93.03453	0.5
95.05061	0.4
97.02966	0.4
98.22743	0.6
101.02444	2.1
106.04221	0.7
113.02462	0.8
121.02961	0.4
122.03737	1.4
140.90913	0.4
153.12869	0.6
159.08139	5.9
162.18726	0.4
163.11305	1.5
165.12837	0.9
169.12338	12.4
169.13820	0.6
174.06213	0.4
177.09201	32.0
178.09547	1.3
178.30910	0.4
179.05521	0.4
179.10767	0.4
181.51508	0.4
197.11816	22.9
201.11253	0.6
209.11813	30.5
221.08174	68.7
222.08565	2.6
227.12759	2.4
235.08220	0.4
253.09293	2.2
289.38089	0.4
341.13895	100.0
342.14221	7.6
419.15582	0.4
503.19238	6.7
545.20258	32.9
546.20551	3.4
647.36932	0.6
687.32269	8.0
719.34869	15.4
721.10437	0.4
751.37512	25.8
752.38916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
61.98825	0.7
69.94106	0.4
69.94442	0.3
71.01371	0.4
89.02470	0.3
98.22571	0.3
101.02415	0.3
109.47354	0.2
116.92857	0.2
118.65037	0.2
125.02444	0.2
149.06056	0.8
163.07661	0.3
164.08424	10.9
165.08714	0.2
173.04549	0.2
178.06342	0.5
191.05632	0.6
193.05074	0.2
195.06715	0.3
230.64012	0.2
240.11537	0.6
253.12279	0.5
255.13902	100.0
256.14227	5.0
297.14938	0.6
399.18137	7.9
400.18445	0.5
417.19189	0.3
441.19150	2.5
459.20251	3.7
460.20584	0.3
501.21304	0.9
543.23981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
56.74441	0.5
57.03441	1.5
58.00576	0.5
59.01378	30.6
59.46188	0.5
69.03454	14.2
71.01381	36.9
71.05021	3.4
71.42273	0.5
72.99317	0.8
73.02946	10.0
73.06551	0.7
75.00854	0.8
81.03423	0.6
83.01409	2.6
83.05000	2.6
85.02950	14.1
87.00879	1.9
87.04514	0.7
89.02443	19.7
93.03459	0.8
95.01386	2.8
95.18369	0.5
96.96037	0.8
97.02966	0.7
98.00079	1.3
99.00879	3.2
99.27707	0.5
101.02441	23.3
101.06077	10.5
108.02169	0.8
109.02924	0.6
113.02450	100.0
114.02777	1.6
119.03496	6.7
125.02432	1.0
131.03542	1.1
135.04559	0.7
139.04018	3.2
140.42433	0.5
143.03540	2.8
149.04579	0.7
153.01939	1.1
153.05566	0.7
159.02998	3.3
161.04553	23.4
165.02487	0.5
173.04553	0.8
175.70122	0.5
176.40480	0.4
179.05614	17.7
180.05881	0.5
182.69820	0.4
191.05568	1.0
208.55991	0.5
245.10161	0.6
249.06088	0.5
249.09747	0.7
251.11354	3.7
263.11346	54.7
264.11813	1.7
267.07281	1.8
277.42963	0.6
277.54520	0.5
301.09448	0.7
307.10385	1.5
338.59802	0.5
351.12756	0.9
363.12744	1.1
365.14642	0.8
377.14511	34.1
378.14810	1.5
385.11462	1.0
387.16528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35259	0.8
56.76961	0.9
59.01375	19.9
61.98830	68.9
67.01874	0.9
69.03448	1.1
70.95628	1.3
71.01380	12.3
72.99303	0.8
73.02940	1.9
75.00874	1.1
76.37610	0.9
78.91882	0.8
79.00071	0.8
80.91653	0.8
85.02972	2.1
87.00891	3.1
89.02451	10.1
93.03475	1.6
96.96049	1.1
97.02966	1.4
101.02447	10.0
106.89489	1.0
109.06625	0.9
113.02457	3.9
116.92850	1.3
119.03513	3.5
125.02427	3.0
138.53027	0.9
143.03535	1.4
159.13605	0.9
161.04585	2.6
171.10347	1.0
179.05652	2.4
179.14474	1.2
191.05608	2.7
195.13901	5.9
196.14610	1.3
196.66644	0.9
197.11815	6.1
198.12161	2.1
209.11836	7.9
210.12161	2.5
223.13446	4.2
227.12904	1.0
235.08209	2.7
256.12976	1.0
265.21735	1.0
275.20154	3.8
287.07657	1.0
287.16541	1.2
293.21225	100.0
294.21545	4.1
305.08582	1.0
397.13495	25.8
415.14532	32.7
416.14951	1.4
493.22928	0.9
637.33527	1.0
691.35242	4.9
695.44550	1.0
751.37921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10922	0.8
53.52608	0.7
55.01886	1.1
58.66488	0.8
59.01377	12.5
61.98825	23.8
69.03437	1.1
69.11388	5.6
71.01382	6.5
73.02950	1.2
77.45238	0.8
80.02690	1.0
81.03434	1.1
83.05016	5.9
84.02161	0.9
84.50553	0.9
85.02950	1.8
87.00876	2.0
89.02461	5.2
93.03452	0.8
95.05006	1.1
98.22696	1.6
101.02444	6.0
113.02444	2.5
114.65813	0.8
119.03529	1.4
143.03465	1.0
151.11281	1.4
159.08180	2.2
161.04506	2.0
163.11296	5.0
165.12798	2.7
169.12340	27.1
170.12682	1.1
173.04546	1.4
177.09196	14.4
178.09476	1.0
179.05565	1.2
191.05655	1.7
191.10811	1.6
197.11832	49.6
198.12207	2.7
201.11310	2.6
209.11818	100.0
210.12143	4.5
221.08180	29.7
222.08641	1.5
227.12851	7.2
235.08144	1.1
253.09283	6.6
341.13901	40.5
342.14270	3.7
364.05246	1.1
417.91287	0.9
445.20993	1.0
485.17963	1.2
503.19293	1.8
509.19794	0.9
545.20270	17.6
546.20538	3.2
647.36243	1.3
665.38489	1.2
687.32269	15.6
688.32269	2.0
719.34906	35.7
720.35168	5.5
727.38916	1.0
751.37537	54.7
752.38501	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	753.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11960	0.3
57.03436	0.9
59.01371	2.6
60.99305	1.8
67.01889	6.4
68.99805	0.3
69.03456	1.9
69.78055	0.5
69.78419	0.6
71.01379	4.4
72.99300	0.4
73.02931	0.3
80.51842	0.3
81.03446	1.4
83.05020	1.2
85.02943	3.5
87.00871	5.3
89.03972	0.6
93.03453	41.8
94.03766	0.4
96.95987	0.4
99.00854	0.7
109.02943	1.1
111.00858	1.3
111.04520	6.8
113.02464	1.0
113.42830	0.3
117.03480	2.2
119.74218	0.3
127.03999	1.1
129.01924	0.7
134.03732	23.0
137.02452	3.6
139.97191	0.3
143.03516	0.4
149.06068	1.9
155.03511	4.4
160.01657	0.4
173.04539	100.0
174.04839	2.3
175.03983	0.8
191.05602	83.0
192.05991	2.0
193.05046	18.5
194.05370	0.4
196.15851	0.3
223.06114	0.5
367.10297	64.1
368.10638	3.6
385.11258	1.0
591.18030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03442	0.5
59.01379	100.0
60.01714	0.4
61.98836	0.3
67.52361	0.2
71.01379	7.1
73.02950	3.2
83.01402	1.3
85.02948	3.0
87.00894	0.7
89.02441	3.0
93.03468	0.6
95.01418	0.6
99.00871	0.4
101.02443	6.6
113.02442	4.1
119.03479	1.5
135.04559	0.4
139.04031	0.4
143.03523	0.5
159.03107	0.3
161.04559	2.4
165.05612	0.3
179.05667	0.5
180.09859	0.3
189.92688	0.3
191.05595	1.6
249.13455	4.5
250.13840	0.3
291.14529	2.7
313.16708	0.4
331.17627	2.7
373.18665	5.2
374.63458	0.3
631.24347	0.3
653.60388	0.3
658.38135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.0
61.98826	100.0
63.99257	1.6
69.82266	4.8
71.01389	5.6
78.91895	2.5
80.91670	5.0
82.95411	22.7
83.05020	4.5
85.02974	2.5
85.48883	1.6
89.02452	3.7
93.03466	3.9
96.96013	21.7
109.06557	4.0
113.02463	2.4
119.52890	1.6
136.89139	1.9
137.02440	2.4
163.11319	4.9
165.12830	2.1
171.10263	5.0
173.04529	3.4
191.05557	8.4
207.10283	13.4
209.11819	66.3
225.11365	7.6
227.12854	7.4
235.08168	3.0
245.18950	1.8
248.05879	1.7
253.09224	10.1
273.17032	20.1
274.17139	2.0
289.18088	21.5
290.18237	2.4
307.19235	11.4
325.20309	2.3
403.43747	2.1
461.20578	2.3
529.28870	1.7
543.28326	2.4
706.32434	2.1
717.36743	7.4
735.39734	3.3
753.35181	5.2
754.35205	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	753.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.0
57.38283	1.9
58.00564	2.0
59.01108	2.3
59.01377	21.6
61.98826	14.3
69.03444	5.0
69.82293	7.2
71.01381	13.7
73.02926	2.9
73.46302	1.9
75.00867	24.9
76.01164	3.2
80.02676	2.5
81.03453	5.4
83.01349	3.7
83.05014	6.4
85.02924	5.5
87.00845	5.4
89.02458	9.1
95.05027	3.4
97.02915	6.7
97.06570	3.9
99.00928	2.3
100.49532	2.0
101.02433	11.4
109.06595	28.2
110.03732	2.5
111.08179	11.4
113.02406	5.5
119.03496	2.9
119.64175	2.0
121.06586	2.3
123.04437	2.6
125.09672	5.5
135.08153	4.4
151.11148	2.1
161.04550	6.2
161.09677	4.7
163.11290	22.1
165.12889	4.2
167.10739	2.1
169.12288	5.5
171.10202	2.7
179.10756	6.1
181.12329	6.6
183.13870	5.9
185.11794	2.2
191.10854	2.7
191.14441	3.0
197.11821	63.8
198.12166	3.9
199.13278	3.1
207.10254	80.3
208.10580	3.5
209.11827	100.0
210.12163	6.1
211.13336	7.0
225.11320	27.8
226.11766	2.9
227.12895	18.2
235.08203	6.2
237.11359	2.3
245.19057	6.9
253.09274	30.0
263.20081	8.4
275.20209	4.3
289.18112	27.6
290.18207	2.5
291.19708	14.6
293.21265	14.4
307.19119	29.6
309.20712	59.7
310.21078	3.3
318.53079	1.8
355.84473	1.8
461.20328	8.8
544.49677	2.3
637.32123	2.3
669.01233	2.3
735.39673	4.8
753.40540	87.8
754.41382	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	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87151	0.9
59.01366	7.7
59.56346	0.9
61.70054	1.0
61.98811	3.0
69.03456	4.3
69.67802	0.9
70.66425	0.9
71.01383	7.5
71.05022	2.0
73.02937	1.1
78.91860	1.5
83.01367	1.2
83.05010	1.0
85.02946	1.5
87.00888	1.7
89.02432	3.4
97.06582	1.7
101.02452	5.0
101.03016	1.0
109.06564	1.7
113.02439	1.9
116.92855	1.3
121.10249	1.7
123.08154	1.1
125.09715	2.3
151.11244	2.0
153.12766	1.9
161.04541	2.1
161.09695	2.9
163.11163	0.9
171.10281	6.2
179.10782	8.7
181.12375	1.0
185.82964	0.9
195.13857	3.8
197.11818	62.6
198.12198	1.8
207.10225	2.5
209.11835	13.7
223.09824	1.4
223.13335	2.8
225.11278	3.1
227.12846	2.6
231.21127	1.2
235.08260	1.0
241.10815	3.0
253.09265	4.2
275.20123	8.1
282.19394	0.9
289.18036	3.6
293.21198	14.4
294.21591	1.4
307.19116	4.7
309.20709	1.2
445.20560	1.4
448.38416	1.0
477.20129	1.3
717.36676	1.1
753.40607	100.0
754.40948	19.8
755.90686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32542	1.3
59.01369	13.5
61.98822	4.2
69.03470	1.6
70.79156	2.2
71.01363	6.1
72.99284	1.3
73.02937	1.7
80.02657	2.6
81.03430	3.4
83.05006	5.3
87.00888	1.8
87.01881	1.3
89.02431	4.5
91.20111	1.3
95.05009	1.9
96.96027	1.6
97.02953	5.9
97.06609	1.9
101.02421	5.2
101.78179	1.3
105.04202	1.3
109.06587	13.4
110.03745	1.6
111.08160	3.4
113.02439	3.9
117.84414	1.3
123.04530	2.4
125.09708	2.7
135.08150	3.4
137.09709	2.2
161.04517	2.3
161.09598	1.6
163.11292	16.8
165.12836	5.2
169.12369	2.1
171.10234	2.7
179.10809	2.2
181.12332	4.3
185.11830	2.8
191.14378	2.5
197.11818	24.0
207.10240	43.2
209.11813	100.0
210.12112	5.7
211.13350	3.8
225.11281	17.4
226.11819	1.6
227.12889	13.4
235.08191	5.7
237.11339	1.7
245.19066	4.5
253.09297	16.1
263.20236	2.0
275.20108	1.6
289.18106	18.9
290.18362	2.8
291.19543	12.9
299.47409	1.4
307.15845	2.1
307.19135	24.2
309.20688	33.7
310.20920	3.8
402.85797	1.4
430.05664	1.3
432.42679	1.6
443.19058	2.1
445.20773	1.8
461.20114	4.2
494.53299	1.7
499.30252	1.7
735.39355	3.8
753.40735	30.5
754.40802	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	753.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80733	7.7
70.42245	12.6
70.42588	7.9
75.85968	8.1
112.84640	7.1
131.02039	7.7
147.65582	7.0
187.21754	8.2
199.09795	13.0
207.10199	18.5
225.11356	8.2
235.08302	14.3
253.09082	7.8
255.23280	100.0
307.75546	7.3
491.32153	12.3
673.41425	35.5
699.43414	34.3
715.42511	17.2
753.41766	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	754.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
61.98827	100.0
62.98513	0.1
63.50625	0.1
68.99854	0.1
69.27503	0.5
71.01395	0.2
73.02946	0.1
83.01431	0.1
85.02951	0.2
93.03484	0.2
94.78165	0.1
101.02476	0.2
113.02459	0.3
133.03012	0.2
135.04585	0.3
172.48546	0.1
173.04559	0.3
174.61470	0.1
177.61284	0.1
191.05624	0.9
192.05939	0.1
193.25180	0.1
209.11873	0.3
210.12164	0.1
279.32492	0.1
341.73962	0.1
640.36829	0.2
649.95483	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	755.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64182	0.4
57.03450	2.4
61.35355	0.4
69.03465	0.9
81.03454	2.5
83.01401	2.6
85.02954	0.4
93.03452	1.7
95.01403	0.6
95.05042	3.4
97.02949	7.3
97.59228	0.4
99.04493	0.5
108.02198	0.9
109.02957	21.9
119.05060	0.5
121.02951	3.4
122.03720	1.5
123.04528	15.8
125.02448	15.8
135.04527	1.7
137.02443	12.8
138.03188	0.7
139.03990	3.7
145.02989	0.9
146.03717	1.0
147.04494	0.6
149.02429	4.1
150.03223	1.4
151.04012	9.1
159.04521	3.1
160.05281	0.9
161.02438	2.3
161.06087	4.3
162.03212	1.5
163.04002	1.3
164.01143	3.0
165.01917	4.5
166.02647	0.6
167.03523	2.1
169.61688	0.5
173.06081	0.6
175.04039	2.1
175.07695	2.1
179.03500	6.0
180.03905	0.5
185.06023	1.2
187.03981	5.8
188.04764	3.8
191.05646	1.1
192.06001	0.5
202.06371	1.6
203.07137	11.0
205.05032	7.7
206.05348	0.5
217.08673	0.9
220.07332	0.7
221.08180	3.5
227.07170	1.7
230.05753	0.6
244.07346	0.6
245.08174	16.2
247.06233	0.8
271.05984	0.9
289.07172	100.0
290.07532	3.4
299.08118	0.6
303.05478	1.0
303.08771	10.1
327.08673	0.9
382.84677	0.5
465.14270	3.6
465.20154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30434	0.2
55.01866	0.3
57.03447	0.4
58.00602	0.3
59.01375	5.6
61.98809	0.7
69.03450	0.7
71.01374	3.9
71.05007	0.2
73.02927	0.9
80.02683	1.0
81.03438	1.3
83.01378	0.6
83.05018	4.8
84.02136	0.6
85.02936	0.7
87.00871	0.6
89.02441	2.1
95.01371	0.4
95.05009	0.9
96.95988	0.3
97.02961	1.8
97.06585	0.5
101.02439	3.1
109.06573	0.5
110.03782	0.2
111.08147	4.7
113.02431	1.6
119.03495	0.5
125.06064	0.5
125.09705	0.6
127.07642	0.4
127.11237	0.2
135.08144	0.6
137.09671	0.4
143.03471	0.4
145.05055	0.4
151.11290	0.4
153.09135	0.3
153.12830	0.6
161.04556	1.5
163.11281	3.8
164.11586	0.3
165.12833	3.6
166.13260	0.3
169.12341	1.5
171.10252	2.3
178.80693	0.2
179.05618	0.5
179.10815	0.2
179.14429	0.2
181.12422	1.1
183.13890	0.4
185.85094	0.2
191.05589	0.2
191.10770	0.8
191.14369	0.2
193.12352	0.5
197.11818	22.1
198.12169	0.8
199.01256	0.2
199.13335	1.3
201.11288	0.2
207.10306	0.5
209.11812	100.0
210.12146	4.6
211.13351	3.7
223.13359	0.4
225.11266	0.6
227.12872	13.6
228.13196	0.5
235.08209	3.5
235.17195	0.2
247.20647	1.3
249.14890	0.4
253.09270	14.7
254.09644	0.6
263.20142	1.0
265.18073	0.4
273.18542	0.8
275.20084	0.2
278.25015	0.2
291.19635	16.7
292.20056	1.3
293.21292	1.4
309.20685	43.7
310.21033	3.1
417.52271	0.2
433.20636	0.5
445.20651	1.0
501.32092	0.5
527.28491	0.3
545.29541	0.9
591.31683	0.2
633.16840	0.2
679.98560	0.2
737.41425	0.3
755.41400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77018	0.2
55.01851	0.4
57.03436	0.5
58.00572	0.3
59.01379	5.8
61.98821	0.9
63.80005	0.3
69.03438	0.6
71.01382	3.5
73.02928	1.1
74.88718	0.2
80.02662	0.7
81.03456	1.1
83.01394	0.5
83.05024	4.4
84.02148	0.5
85.02925	0.9
87.00874	0.9
88.03965	0.2
89.02448	2.3
91.24806	0.2
95.05023	0.8
97.02939	0.6
97.06540	0.3
101.02439	3.3
109.06571	0.5
111.08152	4.7
113.02452	1.9
118.75594	0.3
119.03500	0.7
125.06069	0.6
127.07677	0.3
127.11464	0.3
135.08147	0.4
137.09688	0.3
143.03503	0.5
145.05078	0.4
151.11208	0.6
153.09181	0.4
153.12827	0.3
161.04572	1.7
163.11293	4.1
165.12868	2.1
169.12317	1.6
171.10260	2.2
179.05525	0.6
179.10811	0.3
181.12335	1.4
183.13899	0.6
191.10797	0.8
193.12355	0.4
197.11827	23.6
198.12215	0.8
199.13373	1.8
207.10255	0.6
209.11824	100.0
210.12177	3.9
211.13408	4.4
225.11351	0.7
227.12894	13.6
228.13258	0.3
235.08186	3.0
247.20744	0.8
249.14749	0.3
253.09270	14.9
254.09682	0.7
263.20117	1.8
265.18100	0.6
271.74368	0.3
272.01111	0.3
273.18555	0.9
291.19672	14.8
292.19971	1.0
293.21216	1.3
309.20703	42.2
310.21021	2.0
433.21359	0.4
445.20926	1.9
501.31949	0.5
519.33118	0.3
527.28485	0.4
545.29370	1.4
618.24323	0.3
755.42114	0.4
769.90118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03426	1.3
59.01377	4.0
60.82592	0.9
67.01888	3.6
69.03450	1.3
69.33910	3.5
69.34249	1.9
70.87596	0.9
71.01384	2.6
73.02930	1.1
75.07289	0.8
77.03948	1.2
81.03473	1.6
85.02939	4.5
86.57600	1.0
87.00885	1.4
90.27063	0.8
93.03456	19.5
93.31762	0.8
94.03830	0.9
95.05011	4.0
105.03460	14.6
107.05056	2.1
107.44362	1.0
109.02963	2.5
111.00838	1.1
111.04501	5.3
112.01672	6.8
113.02438	4.1
117.03447	1.3
121.02959	1.1
123.04521	3.8
127.04023	15.3
132.02234	1.1
133.02954	100.0
134.03809	7.4
135.04527	39.4
137.02435	5.2
139.04063	1.6
144.00603	2.3
149.02431	1.2
150.03215	3.0
151.03999	2.1
155.03491	3.8
161.01094	1.9
161.02441	37.3
162.02811	1.0
173.04547	87.8
174.04932	1.4
177.01927	47.1
178.02586	3.6
179.03494	21.9
191.05600	16.6
193.05014	1.3
215.05609	4.2
264.34567	1.0
305.06592	2.7
307.08124	2.6
315.07382	1.0
321.90125	0.9
344.18710	1.4
351.07184	74.6
352.07751	4.5
353.08694	3.0
367.10281	60.4
368.10757	1.8
388.17633	48.6
389.17941	3.0
404.20618	3.1
489.05035	1.0
534.24249	1.1
731.83759	1.0
756.28656	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	756.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01492	0.6
55.01872	2.3
57.03443	1.1
59.01377	3.6
60.99311	1.1
61.98822	1.0
67.01891	2.5
69.03437	0.9
71.01379	2.2
71.42989	0.5
73.02931	1.0
75.16131	0.4
81.03490	0.8
83.05067	0.5
85.02949	5.9
87.00876	4.2
89.03997	0.7
93.03458	17.3
94.03791	0.7
95.05011	1.5
105.03453	5.3
106.04285	0.8
107.05037	2.8
108.02156	0.9
109.02943	7.9
111.00904	1.1
111.04520	3.3
112.01659	3.3
113.02460	4.9
117.03429	1.0
121.02957	0.9
121.06596	0.9
122.03700	0.8
123.04560	2.4
125.02441	0.9
127.04011	8.4
129.01894	0.6
132.02129	1.0
133.02953	40.0
134.03763	5.6
135.04523	87.6
136.04932	1.8
137.02406	1.0
138.03236	1.4
139.00366	1.0
139.04027	1.5
140.01176	1.7
144.00586	1.2
150.03227	1.5
151.03966	1.5
152.04796	0.7
153.01932	0.5
155.03525	1.5
160.01654	0.6
161.01083	1.0
161.02435	20.2
161.09735	0.6
162.02753	0.6
164.04630	0.5
164.07178	1.1
165.05498	0.5
167.03485	0.8
173.04553	20.8
174.04922	0.8
177.01920	14.4
178.02664	0.8
179.03487	53.3
180.03871	2.0
181.05147	0.7
191.05603	35.7
192.05975	1.2
192.78651	0.5
193.05026	0.7
205.08713	1.8
206.04637	0.6
215.05591	14.4
224.05086	0.5
230.15570	0.8
237.03400	0.6
271.08191	1.0
288.16202	0.8
307.08286	2.7
316.19067	0.6
344.18695	3.0
351.07190	53.2
352.07553	3.5
353.08652	1.2
360.18036	2.5
367.10297	76.6
368.10626	3.5
388.17636	100.0
389.17975	5.9
390.19205	1.1
404.20679	2.2
700.45197	0.6
756.28522	1.0
758.88232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46476	0.3
55.01874	2.5
57.03452	0.8
59.01374	2.2
59.01632	0.4
60.99296	0.5
61.73119	0.4
67.01900	2.1
69.03454	0.7
69.41406	1.1
71.01386	1.8
74.02468	0.5
77.03976	1.8
78.27435	0.4
81.03469	0.5
83.05027	0.9
84.02168	0.4
84.32382	0.4
85.02952	3.9
87.00874	1.5
89.03976	1.1
93.03455	10.5
95.05025	4.1
97.02929	1.4
99.04497	0.4
105.03458	13.7
107.05042	0.8
108.02193	0.7
109.02942	2.2
111.00828	0.5
111.04507	2.6
112.01666	8.6
112.56390	0.4
113.02438	1.8
116.03474	0.4
117.03464	0.6
121.02961	1.3
121.06621	0.6
123.04537	2.3
124.01687	0.6
125.02461	0.9
127.04010	13.8
129.01985	0.9
132.02184	1.1
133.02956	100.0
134.03795	5.8
135.04524	27.9
136.05357	1.9
137.02426	2.8
138.03185	0.5
139.04002	0.9
140.01175	0.5
140.51869	0.4
143.03481	0.5
144.00668	2.2
150.03180	1.1
151.04028	1.9
155.03528	2.0
161.02441	45.2
162.02837	0.8
164.07213	0.4
167.03465	0.5
173.04547	16.3
177.01924	48.4
178.02679	2.6
179.02286	0.3
179.03491	10.2
191.05608	23.7
193.05095	1.4
215.05603	4.9
222.15007	0.5
240.76823	0.4
245.09267	0.7
285.60944	0.4
307.08197	1.5
308.08856	1.3
310.18039	0.4
344.18661	1.0
351.07187	56.7
352.07639	3.8
353.08740	2.5
360.17844	0.7
367.10312	58.5
368.10620	2.9
388.17651	41.1
389.17877	1.9
404.20554	3.4
467.15652	0.6
479.11774	0.9
483.06772	0.5
756.28699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
57.03427	1.2
57.51500	0.4
59.01384	4.6
60.99311	0.5
67.01888	2.6
69.03462	0.5
69.40350	1.5
71.01398	2.4
71.01732	0.4
77.03961	1.7
81.03477	0.9
83.05038	1.0
85.02935	6.0
87.00872	2.3
89.03964	1.6
91.05514	0.4
93.03455	18.3
95.05018	4.9
95.31381	0.5
97.02937	1.2
98.22548	1.0
101.02448	0.7
105.03455	15.0
107.05016	1.2
108.02155	0.9
109.02946	3.1
111.00871	0.9
111.04515	4.3
112.01659	7.1
113.02468	3.1
117.03447	0.4
121.02927	1.0
121.06569	0.5
122.03754	0.5
122.09786	0.5
123.04530	3.6
125.02440	0.9
127.04009	13.6
129.01921	0.9
132.02170	1.3
133.02951	100.0
134.03767	8.4
135.04521	56.2
136.05247	1.4
137.02415	3.7
137.06001	0.5
138.03224	1.2
139.04002	1.9
140.01155	0.6
144.00629	1.6
149.02510	0.5
150.03194	2.3
151.04001	1.8
152.04768	0.8
153.01875	0.5
155.03502	3.7
160.01709	0.7
161.02438	44.3
162.02823	1.3
164.07117	0.8
167.03409	0.6
173.04539	57.7
174.04907	0.8
175.03944	0.5
177.01917	48.4
178.02686	4.1
179.03485	30.4
179.05118	1.0
180.04007	1.0
191.05615	17.5
193.05070	1.3
195.02959	0.7
215.05589	5.3
222.14983	0.6
270.99429	0.4
288.15982	0.7
300.19485	0.7
305.06604	0.9
307.08328	2.6
308.08884	1.7
316.19244	0.5
328.19205	0.6
344.18600	1.5
351.07196	71.0
352.07785	6.3
353.08804	5.2
360.18115	0.9
360.22116	0.6
367.10300	73.5
368.10556	3.7
388.17642	64.9
389.17960	3.6
390.18991	0.5
404.20728	3.6
479.11859	0.9
701.40558	0.5
756.28937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90660	0.3
57.84615	0.3
69.03461	0.4
71.01380	0.7
71.05498	0.3
71.14305	0.3
81.03456	0.3
83.05013	1.3
85.02952	0.9
87.00884	0.4
89.03965	2.1
93.03453	5.2
111.04520	3.3
117.03465	8.9
121.75665	0.3
127.04002	0.7
133.02922	1.9
134.03738	97.7
135.04059	3.2
137.02414	0.9
149.06070	8.5
150.06418	0.3
152.70218	0.3
155.03510	4.2
160.01645	0.6
173.04538	10.8
175.04021	0.9
178.02718	1.8
188.00948	0.5
191.05609	5.4
193.05048	100.0
194.05368	3.6
200.00900	6.4
215.03262	4.2
238.11874	0.4
256.65067	0.3
309.21909	0.3
367.10294	40.2
368.10568	2.5
374.06155	1.4
389.08502	24.2
390.08908	1.5
406.22330	8.5
407.22760	0.9
466.44809	0.3
484.49774	0.3
756.62756	0.3
757.19556	12.1
757.33154	0.7
758.20361	1.4
766.69995	0.4
766.83124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69389	0.3
59.01388	0.3
61.98834	1.2
69.13532	1.0
69.13944	0.8
76.09132	0.3
84.69028	0.4
106.04255	0.5
114.64643	0.3
117.03467	0.8
119.05160	0.3
121.02953	0.8
132.02194	1.5
133.02946	2.3
134.03740	61.6
135.04552	1.7
137.02435	5.0
139.04045	1.7
147.04517	0.3
149.02408	0.4
149.06082	17.6
150.03195	0.8
160.01668	4.3
161.02374	0.5
163.35265	0.3
164.10133	0.3
166.02708	0.4
175.04059	2.0
177.01944	1.0
178.02708	32.4
179.03474	2.4
181.04988	0.3
181.56763	0.4
191.05598	0.6
192.04272	3.1
193.05051	100.0
194.05365	1.9
207.06648	2.8
215.67384	0.3
235.06105	0.4
235.84424	0.3
275.35040	0.4
288.16586	0.3
387.10989	0.3
399.10706	0.5
401.12360	4.9
547.22827	0.4
557.21472	0.4
595.18176	29.8
596.17999	1.5
676.37097	0.4
727.49493	0.4
757.23315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03437	1.3
59.01376	11.9
67.01870	0.8
68.99807	1.0
69.03442	1.1
69.09610	2.2
71.01374	8.4
72.99323	1.9
73.02946	1.7
75.00474	0.7
75.00868	9.3
81.03454	0.5
83.01412	0.5
85.02942	9.9
87.00866	2.6
89.02435	2.4
89.02923	0.3
90.63133	0.3
91.03985	0.6
93.03450	1.3
95.01377	3.5
99.00879	6.1
101.02412	0.9
103.00360	1.2
111.00892	0.9
113.02442	11.6
115.00356	1.1
115.07629	0.4
117.01925	1.5
119.03481	0.5
121.02950	47.6
122.03300	0.6
129.01915	1.0
131.03461	0.4
143.29388	0.4
173.04610	0.7
175.02438	1.3
183.73138	0.3
189.03969	0.9
191.05560	1.0
208.78001	0.3
231.05115	3.1
249.06136	31.3
353.08701	0.9
371.09784	100.0
372.10092	3.6
381.37994	0.4
604.74066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03437	1.6
59.01375	14.4
69.03457	4.1
69.46346	1.2
71.01379	20.2
72.99290	0.6
73.02557	0.7
73.02945	8.7
75.00862	0.9
83.01376	3.5
85.02948	10.7
87.00866	1.1
89.02436	3.1
89.95741	0.3
95.01377	1.4
97.02946	0.5
99.00896	2.6
99.04503	0.6
101.02438	23.3
111.00892	0.3
113.02446	25.2
114.02737	0.4
119.03545	0.5
125.02425	1.0
131.03499	0.6
133.02847	0.4
143.03497	1.0
159.03004	2.6
161.04556	16.7
162.04837	0.4
197.04457	0.6
237.09781	100.0
238.10104	2.7
251.29121	0.3
294.45563	0.3
349.11533	1.2
350.11533	0.5
351.12946	19.6
352.13214	1.1
363.46237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94089	5.6
58.68537	5.1
59.01392	8.7
61.98816	19.0
71.01408	5.8
79.64587	5.1
89.02423	9.9
98.21783	10.8
109.06595	18.8
147.59114	5.2
155.90062	5.1
159.49048	5.2
163.11276	13.2
167.69615	4.9
201.11285	25.1
207.10249	100.0
209.11845	28.8
225.11388	27.5
235.08217	18.0
253.09262	22.6
255.23265	56.1
256.23715	7.2
277.21738	80.6
278.22275	5.9
288.51477	6.4
443.19193	15.1
461.20230	17.0
491.32458	9.1
612.55634	6.6
705.81671	6.2
721.41815	57.4
757.42340	34.9
786.12946	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	757.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85788	17.8
61.98832	100.0
87.00867	21.4
95.98363	19.4
105.18491	17.7
107.09436	17.4
108.16453	18.7
109.25465	16.2
109.57001	16.8
116.92864	18.3
174.84653	17.0
192.50140	16.8
207.10239	28.0
209.11768	25.4
225.11333	40.9
235.77744	18.0
253.21440	19.1
277.21741	60.2
278.22205	18.5
402.91110	19.5
461.20483	21.4
721.40979	20.6
757.25726	19.7
757.39789	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39170	4.6
59.01369	12.2
61.98837	38.0
64.76033	4.9
67.39296	4.7
79.75331	5.7
88.98793	14.3
89.02444	15.6
106.99516	5.0
109.06606	6.8
115.92895	5.8
163.11299	6.9
173.64726	4.7
201.11256	24.7
207.10257	57.1
209.11780	26.2
225.11342	21.9
227.12895	6.5
235.08258	19.7
253.09256	21.1
255.23264	57.8
256.23645	9.5
277.21695	100.0
278.22116	6.7
491.32504	14.2
721.41791	47.2
757.42181	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01685	0.7
61.98838	4.5
67.38698	0.7
71.41255	0.7
80.84213	0.8
82.04218	0.7
88.66180	0.6
94.14524	0.7
102.95718	2.1
103.00391	3.0
103.01495	72.5
222.72163	0.8
227.73933	0.8
255.92873	0.7
301.67532	0.8
517.51556	0.7
541.23212	0.7
638.69843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12927	0.5
59.01377	100.0
60.01725	0.7
60.43687	0.5
61.98840	4.3
71.01375	1.0
71.41131	0.5
75.00872	0.8
79.84837	0.5
80.19389	0.4
85.41531	0.5
89.73885	0.5
94.79077	0.5
100.08274	0.5
102.95679	2.3
103.00376	4.0
103.01495	72.3
146.81665	0.5
161.04547	0.7
181.12328	0.6
187.58615	0.5
201.11270	3.0
225.11360	0.9
277.21683	5.1
293.20938	0.5
397.13165	0.6
698.44226	0.6
757.43805	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.0
59.01373	9.8
61.98825	1.6
68.99815	0.6
70.86169	0.5
70.98580	0.6
71.01379	100.0
72.01724	0.8
73.02950	1.2
85.02947	1.8
87.00886	1.2
89.02444	3.0
92.20696	0.5
95.73304	0.5
97.02938	0.9
99.00887	1.0
101.02428	3.7
107.04981	0.6
109.06562	3.6
113.02448	1.8
119.03519	0.6
125.09722	2.1
127.11288	2.1
135.08220	0.7
145.05058	0.7
153.09222	0.8
161.04552	2.0
163.11293	2.3
171.10266	75.0
172.10614	1.1
178.85146	0.6
179.05730	0.6
181.08521	0.7
181.12317	1.6
199.09741	8.6
201.11317	7.7
207.10249	11.3
215.13054	0.6
225.11327	7.0
226.11537	0.7
235.08147	3.7
243.12413	0.5
253.09282	10.0
277.21719	87.4
278.22101	4.3
278.56671	0.6
435.18707	1.1
461.20477	2.6
516.81390	0.6
518.09637	0.6
641.84863	0.6
721.41565	2.5
757.43732	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	758.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03432	1.1
59.01378	17.7
59.82448	0.5
61.98829	89.7
71.01379	19.2
73.02946	4.0
82.95441	0.6
83.01397	2.0
85.02950	6.5
85.38471	0.5
85.46558	0.6
87.00877	1.7
89.02439	7.3
93.03468	1.4
95.01389	1.4
95.05038	0.7
96.96016	1.5
97.02947	1.3
99.00890	1.0
101.02436	12.2
106.04243	14.5
106.28308	0.7
109.02992	0.7
110.04153	0.6
113.02457	10.2
115.03999	0.9
119.03507	2.2
121.02983	0.9
125.02454	2.2
129.01952	0.7
131.03502	1.4
135.04509	1.0
136.05260	1.4
139.04025	7.7
143.03493	3.8
151.03990	1.0
151.07597	3.7
153.05528	1.0
159.02945	1.3
161.04564	5.1
162.49921	0.6
169.01398	2.5
173.04558	0.6
179.05605	1.9
191.05595	4.0
201.40515	0.6
209.11835	1.6
210.06856	1.1
210.12094	0.8
221.06712	2.4
257.11819	100.0
258.12161	6.3
262.32800	0.6
323.09775	2.0
333.93735	0.6
419.17172	4.3
474.58939	0.6
581.22369	89.1
582.14050	0.8
582.22729	9.5
695.25903	1.8
714.36401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24766	1.2
54.19366	1.5
56.64911	1.4
59.01377	83.1
59.15623	1.4
71.01375	2.9
81.06734	1.2
106.99786	1.3
109.02950	8.7
121.02931	1.6
134.03752	8.0
136.01651	23.5
139.73923	1.5
151.03995	49.5
152.04362	1.3
155.03519	1.6
160.05302	2.4
161.04575	1.4
175.07680	3.4
191.05646	4.0
193.05081	7.7
193.08655	1.9
233.34152	1.5
239.07103	1.9
244.02898	2.2
267.06598	38.4
268.07016	2.1
282.05972	2.4
282.08975	35.7
297.11288	99.0
298.11691	6.8
315.12393	13.7
315.56546	1.3
316.02838	1.3
327.12436	1.9
345.13391	100.0
346.13696	5.4
357.13321	12.3
367.10318	2.6
375.14435	69.2
376.14832	5.6
391.04105	2.4
434.78915	1.5
507.18625	20.7
532.74524	1.3
537.19867	8.0
759.18542	1.5
784.72437	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	759.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03459	1.8
57.03687	0.3
59.01380	19.1
63.06828	0.3
67.01875	0.9
68.99812	1.3
69.03453	1.4
71.01382	12.9
72.99305	2.6
73.02940	1.4
73.73254	0.3
75.00874	10.0
83.01409	1.0
83.05019	0.4
85.02951	12.1
87.00890	3.5
89.02446	5.0
93.03465	1.0
95.01389	3.7
96.96012	2.3
97.02903	0.3
99.00876	6.0
101.02441	3.9
103.00365	1.2
109.02934	0.8
111.00889	1.0
111.04514	0.5
112.13255	0.4
113.02449	15.7
114.02802	0.5
115.00348	1.4
117.01970	1.7
119.03519	1.3
121.02955	49.9
122.03271	1.7
123.04491	0.7
124.69054	0.3
129.01958	0.9
156.62932	0.4
161.04568	0.9
173.04544	0.9
174.88747	0.4
175.02478	1.4
189.04111	0.5
191.05679	1.4
226.20663	0.3
231.05087	3.1
249.06142	29.6
250.06517	1.0
251.11383	0.7
258.87347	0.4
265.12894	1.7
279.10858	10.9
280.11322	0.7
303.98532	0.4
353.08450	0.9
371.09808	100.0
372.10150	8.6
373.10510	1.8
379.15771	0.6
391.86581	0.4
393.08130	0.6
393.13953	0.8
789.04297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89893	0.2
71.01393	0.6
73.02930	0.4
85.02967	0.2
95.83259	0.2
97.02959	0.4
98.21825	0.4
101.02429	0.3
113.02441	0.3
113.12648	0.2
114.59464	0.3
115.03981	0.3
118.06625	0.2
127.71143	0.2
131.03740	1.1
144.04547	4.3
146.06113	100.0
147.06458	2.9
161.04541	1.0
175.33893	0.2
190.05087	22.1
191.05476	0.6
218.66971	0.3
230.78809	0.3
308.11353	2.8
352.10342	40.6
353.10666	2.0
358.91434	0.3
406.22314	3.1
407.22305	0.3
718.11139	0.3
726.65662	0.3
771.96283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	18.6
67.02241	18.6
69.91283	36.9
69.91618	30.1
71.01382	26.8
78.24624	16.2
86.24763	17.6
96.36429	16.6
96.95982	21.6
105.14429	16.1
112.96451	16.8
171.10284	29.5
209.11784	95.4
227.12859	25.5
253.21709	100.0
255.23314	28.0
277.21701	59.9
486.48911	23.2
518.70398	22.0
644.24054	18.3
645.31525	19.1
693.20715	21.8
759.42340	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37727	1.7
60.21917	1.5
61.17163	1.6
71.01376	2.4
86.27737	1.6
88.85449	2.0
89.02426	2.5
98.21856	6.8
112.19740	2.0
144.35742	2.0
191.56546	2.0
209.09798	3.7
209.11819	71.4
227.12865	18.2
235.08223	7.8
253.09311	9.2
274.58865	1.7
277.21704	100.0
278.21988	7.0
279.23209	2.0
445.20880	3.8
513.30359	4.2
759.40839	33.1
760.41376	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	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02638	2.8
62.04605	3.0
70.96072	3.2
71.01376	5.1
83.55689	3.3
124.22311	3.3
145.71808	3.0
178.76860	3.3
209.11829	100.0
210.12195	5.0
227.12906	24.2
238.23851	3.3
253.09216	10.3
277.21744	56.9
354.20157	3.6
367.34610	4.1
388.29111	3.8
445.20694	9.1
759.41064	24.3
760.42377	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	761.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.03992	0.6
57.03421	1.8
58.00594	1.7
59.01377	100.0
61.98829	3.5
67.27213	0.7
69.03454	17.9
69.09866	4.9
71.01380	55.2
72.99300	1.8
73.02944	2.9
78.91892	1.1
81.03437	0.8
83.01402	3.1
85.02949	10.4
87.00865	3.8
87.04507	1.6
89.02444	67.9
93.03473	2.5
93.04046	0.6
95.01379	4.9
96.96011	3.5
98.00079	1.5
101.02442	32.2
101.03100	1.6
103.01479	0.7
109.02946	1.0
111.00904	1.1
111.04560	0.9
113.02450	84.0
114.02791	1.8
115.04146	0.8
119.03500	31.5
125.02439	1.6
131.03517	5.0
133.41492	0.7
135.04568	2.1
137.02484	1.2
139.04001	10.2
143.03499	8.0
149.04616	2.6
155.03532	1.9
159.02940	0.8
161.04555	11.6
165.05617	0.8
171.10269	2.2
173.04620	0.9
179.05605	48.6
180.06013	1.0
183.59573	0.8
191.05591	5.8
192.06079	1.3
201.04089	1.1
201.11365	2.0
205.12346	0.8
209.11821	4.2
225.11523	1.0
253.09322	1.0
275.75247	0.7
373.11975	0.7
407.13763	0.9
471.34561	1.0
473.24210	0.9
533.26019	50.2
534.26910	2.5
543.28424	1.5
591.69720	0.8
647.29132	33.4
648.29108	2.0
717.34399	1.5
761.30939	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	761.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
56.01460	0.9
57.03436	2.2
58.00571	1.2
59.01375	100.0
61.98824	1.4
68.95190	1.0
69.03439	7.2
71.01379	56.3
72.99300	1.8
73.02944	9.1
82.95412	2.9
83.01374	3.7
83.05042	1.0
84.95104	3.6
85.02941	16.4
87.00864	4.2
88.98792	1.7
89.02438	38.1
93.03458	3.2
95.01383	5.7
96.96036	1.9
98.21817	2.6
99.00867	3.8
101.02435	29.6
107.59824	0.8
111.04543	1.3
113.02444	58.0
116.92890	1.6
119.03506	15.0
119.67498	1.1
125.02467	1.5
126.90482	1.0
127.03986	2.8
131.03493	3.6
134.03664	1.2
135.04510	1.4
136.16302	1.0
139.03993	7.0
143.03468	5.5
149.04529	2.3
161.04546	11.0
171.10248	1.5
173.04544	3.9
179.05582	12.8
191.05597	9.0
196.45692	0.9
201.11348	2.0
209.11790	8.2
210.12061	1.4
225.11368	1.2
227.10869	1.0
227.12880	4.5
253.09219	1.4
292.00037	1.0
371.20544	1.3
436.25394	1.0
533.25952	46.3
534.26410	2.4
543.28082	42.8
544.28357	3.4
561.29102	21.7
561.37006	1.9
562.29645	1.5
603.30206	10.2
604.30078	1.3
637.32928	1.5
647.29346	4.1
657.33466	1.7
673.35321	1.9
717.35394	3.6
761.35291	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	761.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
56.01460	0.9
57.03436	2.2
58.00571	1.2
59.01375	100.0
61.98824	1.4
68.95190	1.0
69.03439	7.2
71.01379	56.3
72.99300	1.8
73.02944	9.1
82.95412	2.9
83.01374	3.7
83.05042	1.0
84.95104	3.6
85.02941	16.4
87.00864	4.2
88.98792	1.7
89.02438	38.1
93.03458	3.2
95.01383	5.7
96.96036	1.9
98.21817	2.6
99.00867	3.8
101.02435	29.6
107.59824	0.8
111.04543	1.3
113.02444	58.0
116.92890	1.6
119.03506	15.0
119.67498	1.1
125.02467	1.5
126.90482	1.0
127.03986	2.8
131.03493	3.6
134.03664	1.2
135.04510	1.4
136.16302	1.0
139.03993	7.0
143.03468	5.5
149.04529	2.3
161.04546	11.0
171.10248	1.5
173.04544	3.9
179.05582	12.8
191.05597	9.0
196.45692	0.9
201.11348	2.0
209.11790	8.2
210.12061	1.4
225.11368	1.2
227.10869	1.0
227.12880	4.5
253.09219	1.4
292.00037	1.0
371.20544	1.3
436.25394	1.0
533.25952	46.3
534.26410	2.4
543.28082	42.8
544.28357	3.4
561.29102	21.7
561.37006	1.9
562.29645	1.5
603.30206	10.2
604.30078	1.3
637.32928	1.5
647.29346	4.1
657.33466	1.7
673.35321	1.9
717.35394	3.6
761.35291	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	761.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03437	0.8
59.01378	40.6
61.98830	0.5
65.69070	0.4
69.03449	3.4
69.14925	3.3
71.01382	25.4
72.01648	0.6
72.99294	0.9
73.02943	2.5
77.27253	0.4
83.01390	2.6
83.05047	0.5
85.02951	6.7
87.00859	1.7
88.98798	0.6
89.02441	21.6
92.22883	0.5
93.03455	1.1
95.01368	1.7
96.95953	0.9
99.00848	0.8
101.02442	16.0
109.02934	0.5
111.00865	0.6
113.02447	22.6
119.03506	9.4
126.17181	0.5
130.65584	0.5
131.03514	0.9
139.03922	0.5
139.28349	0.5
143.03484	1.4
150.16257	0.4
159.02937	0.5
161.04514	2.1
179.05638	3.6
191.05566	2.8
209.11848	2.0
371.20804	1.4
533.25989	100.0
534.26337	8.4
647.29150	11.6
648.29443	0.8
761.31500	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	761.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03440	1.2
58.00598	0.9
58.91969	0.4
59.01377	100.0
60.01721	0.6
63.80714	0.4
69.03453	14.9
71.01379	53.2
72.99314	1.5
73.02940	3.0
83.01385	2.7
85.02949	11.6
87.00886	3.0
87.04503	0.6
89.02442	62.1
90.02762	0.8
95.01383	4.6
96.96003	1.5
98.00095	1.6
99.00890	1.0
101.02439	30.8
102.02734	0.6
107.03545	0.5
111.04591	0.6
113.02448	71.2
114.02831	1.1
119.03502	27.4
125.02460	0.6
131.02457	0.7
131.03452	4.0
131.60286	0.4
137.02484	0.5
139.03992	3.3
143.03494	6.7
149.04553	3.0
161.04553	8.3
179.05605	39.6
189.53128	0.5
191.05620	1.9
353.19604	1.1
377.51132	0.5
377.88449	0.6
447.83499	0.5
473.23999	0.7
533.26013	87.0
534.26251	5.7
555.46320	0.5
647.29169	35.7
648.29651	3.1
761.32642	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	761.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18663	6.3
59.01370	7.7
61.98832	49.0
65.58694	6.6
70.64173	9.5
70.64522	9.2
76.18572	6.5
80.56351	5.9
80.94950	6.6
83.83434	6.3
116.92925	7.2
139.16545	6.0
171.10393	7.9
201.11295	15.9
209.11847	100.0
227.12857	26.4
235.08299	20.1
240.19232	6.5
253.09268	12.6
255.23343	78.9
279.23270	98.2
280.23657	7.7
515.32623	7.8
761.42261	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	761.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
59.59012	0.2
66.95918	2.5
70.44067	0.4
71.01383	0.3
72.13371	0.2
80.91672	1.3
82.95415	100.0
83.02512	1.0
90.41577	0.2
93.03492	0.2
96.96053	0.2
101.02439	0.2
102.98599	0.2
104.79762	0.2
130.68857	0.2
146.27711	0.2
149.02544	0.2
150.03203	0.4
151.03912	0.2
161.02361	0.2
165.05524	0.3
173.04565	0.2
191.05624	0.6
195.06670	0.3
256.29337	0.2
339.08228	0.2
470.67877	0.2
599.20789	0.2
629.25745	0.2
664.39178	0.2
677.49530	0.3
761.45270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37342	1.0
57.01719	1.1
59.01370	3.4
61.98824	4.8
66.74187	1.0
66.74743	1.1
69.97682	1.0
70.74734	1.1
71.01387	4.9
80.59868	1.0
83.05014	1.6
98.21770	2.7
101.02444	3.6
107.60461	1.1
120.64630	1.2
144.43542	1.1
165.12872	2.0
171.10304	2.9
209.11826	56.9
227.12885	11.6
235.08205	8.6
238.72395	1.2
253.09256	8.1
255.23282	100.0
256.23602	3.0
281.24857	8.7
462.94305	1.2
491.32260	3.1
698.40289	3.7
749.64343	1.3
752.88965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.7
60.99302	4.6
61.98815	7.7
62.15274	1.7
67.01888	13.8
69.03460	5.1
71.01374	3.7
79.71478	1.8
81.03442	4.8
81.76547	1.8
87.00880	12.4
93.03458	100.0
99.00871	3.2
111.04527	9.5
125.02412	2.1
161.94038	1.9
173.04538	71.2
174.04924	2.6
190.77020	2.1
191.05653	3.2
223.51674	1.8
224.99556	2.1
408.64087	2.2
550.51849	2.4
625.98334	2.3
762.24054	36.4
763.23285	2.6
764.00873	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	762.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68962	0.3
61.98828	100.0
65.71651	0.3
73.24442	0.2
79.83506	0.2
135.04871	0.3
209.11786	0.6
255.23265	0.4
339.07748	0.2
441.03693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
64.15268	0.1
69.74280	0.2
69.74625	0.5
71.01380	0.8
78.95428	0.2
78.95901	4.0
79.95734	3.0
80.84425	0.2
85.02946	0.2
87.00859	0.2
89.02438	0.3
90.33669	0.2
96.96008	100.0
96.96896	4.5
98.21857	0.4
101.25790	0.1
113.02512	0.2
118.96593	0.2
123.76500	0.2
128.98718	0.2
131.08263	0.5
152.91714	0.2
173.10335	0.2
194.25070	0.2
198.99220	0.3
210.99246	0.2
241.00352	0.2
253.00137	0.3
292.87222	0.2
532.64099	0.2
665.21857	0.6
703.15967	1.1
763.18665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98824	1.1
64.19415	0.8
70.66287	0.8
84.72316	0.8
93.03469	1.8
108.02171	2.3
109.02927	3.1
110.89403	0.9
121.02986	2.0
122.03725	3.3
123.04494	1.9
135.04553	1.7
136.01665	16.0
136.05238	2.1
137.02383	1.2
148.05278	5.0
149.02499	6.7
149.06064	2.8
150.03242	8.4
151.03998	14.6
159.04527	1.8
160.05302	1.6
162.03241	7.1
163.03922	2.7
164.04826	2.6
165.05597	1.5
177.05551	9.2
211.07663	1.2
220.81923	0.8
225.09169	1.6
226.09995	1.0
227.10744	9.3
237.09181	8.6
239.10771	11.2
241.08580	1.0
251.10684	5.8
254.05798	1.7
255.06583	3.1
268.07410	1.6
269.08188	6.0
329.25833	1.3
342.10687	1.0
345.11166	1.1
357.13486	6.4
359.12857	2.9
360.13684	18.4
361.14401	7.2
372.13580	3.2
373.14334	0.9
375.15964	18.6
387.15891	1.6
390.14603	7.6
405.17068	100.0
406.17300	6.3
465.19183	1.0
559.86395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03442	1.5
59.01376	29.6
61.99372	0.7
66.80093	0.6
69.03450	12.9
69.10838	0.7
71.01376	38.2
71.05003	3.9
71.40672	0.8
72.99307	1.1
73.02938	10.3
73.06580	1.0
75.00876	1.3
83.01385	3.2
83.05009	2.0
84.82831	0.7
85.02948	17.3
87.00869	3.3
89.02441	14.8
91.05515	1.2
93.33646	0.6
95.01368	3.4
97.02970	0.6
99.00896	4.4
101.02436	21.1
101.06078	8.8
108.02164	4.5
109.02950	3.8
111.04542	0.7
113.02442	100.0
114.02763	1.9
119.03485	4.7
119.05005	1.1
123.04506	0.7
125.02444	1.2
129.01913	0.7
131.03513	1.1
135.04518	0.7
139.04005	1.3
143.03482	2.0
149.04585	0.9
151.03986	0.9
153.01846	1.1
156.05186	0.6
159.02997	4.7
161.04553	28.6
179.05621	13.0
191.05725	1.1
208.03816	0.8
249.06255	1.0
263.11334	56.7
264.11612	3.2
267.07169	12.0
271.05951	1.0
271.08289	5.5
307.10434	0.9
377.14474	39.8
378.14716	2.3
385.11325	12.1
501.77350	0.8
518.53424	0.7
557.77795	0.9
571.21216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03437	0.8
58.00599	0.9
59.01378	67.3
60.01707	0.4
67.91640	0.4
69.03454	13.5
69.22647	1.5
71.01381	35.2
72.99306	1.0
73.02953	1.2
73.84298	0.3
79.70535	0.3
83.01405	1.3
85.02947	7.7
87.00883	1.1
89.02442	35.1
90.02814	0.6
95.01381	2.8
98.00121	0.9
98.22610	0.6
101.02437	18.3
113.02448	48.2
114.02780	1.0
119.03495	12.9
119.04959	0.8
120.03857	0.4
123.65578	0.3
131.03519	2.2
138.17715	0.3
139.03992	1.4
143.03496	2.3
149.04556	0.8
154.94313	0.3
161.02368	0.6
161.04520	2.3
163.04015	0.5
179.05598	6.8
187.20920	0.4
355.21191	0.9
535.27563	100.0
536.19708	0.5
536.27850	10.1
649.30725	20.9
650.30756	2.5
763.33649	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	763.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.49549	0.5
57.03450	1.3
59.01379	77.0
61.52101	0.5
61.98820	0.8
67.01910	0.6
69.03457	11.4
69.22643	2.8
71.01379	43.0
72.25991	0.5
72.99319	1.7
73.02956	2.9
73.03449	0.5
81.03455	0.6
83.01393	1.5
85.02947	9.8
87.00890	2.3
87.04515	0.9
88.04023	0.6
88.98846	0.7
89.02444	42.4
93.03465	0.8
95.01386	2.5
95.05025	1.2
96.96012	2.9
98.00127	0.9
99.00849	0.8
101.02438	25.1
103.60747	0.5
109.02959	0.7
111.04528	1.0
113.02451	56.5
114.02801	0.8
115.04003	0.7
116.92886	0.9
119.02660	0.7
119.03503	15.5
131.03508	1.5
133.95230	0.6
135.04526	1.5
139.04015	11.2
139.05000	1.0
143.03513	3.3
149.04596	0.9
161.04594	2.6
173.04549	2.0
179.05617	7.6
191.05627	3.4
201.04048	1.0
201.11349	0.6
209.11838	2.2
210.12201	0.8
282.63123	0.7
355.21613	0.7
363.20413	1.4
444.26230	0.6
535.27563	100.0
536.27942	8.2
649.30719	24.9
650.31140	3.3
719.36646	1.1
763.34308	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	763.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
60.56411	0.2
60.99308	16.6
61.98828	0.4
71.01376	0.7
83.05003	0.4
85.00433	0.3
85.02950	0.5
87.00882	2.4
88.00388	0.4
88.01214	0.3
88.98805	100.0
89.02441	11.5
89.03018	0.3
89.99136	0.7
93.03429	0.5
96.96029	0.3
101.02430	0.8
111.04465	0.3
113.02467	0.8
114.45451	0.2
126.90482	0.2
135.04539	0.2
139.04056	0.3
163.11292	0.2
164.11719	0.2
165.12798	0.3
173.04474	0.3
191.05592	0.8
207.10289	0.3
209.11816	10.5
210.12137	0.6
225.11293	0.2
227.12917	1.7
235.08232	0.3
244.80843	0.2
253.09285	0.6
264.79419	0.2
445.20419	0.3
531.66467	0.2
545.29382	0.4
671.33191	0.3
727.25250	0.3
762.22925	0.2
763.41528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03442	1.5
59.01376	29.6
61.99372	0.7
66.80093	0.6
69.03450	12.9
69.10838	0.7
71.01376	38.2
71.05003	3.9
71.40672	0.8
72.99307	1.1
73.02938	10.3
73.06580	1.0
75.00876	1.3
83.01385	3.2
83.05009	2.0
84.82831	0.7
85.02948	17.3
87.00869	3.3
89.02441	14.8
91.05515	1.2
93.33646	0.6
95.01368	3.4
97.02970	0.6
99.00896	4.4
101.02436	21.1
101.06078	8.8
108.02164	4.5
109.02950	3.8
111.04542	0.7
113.02442	100.0
114.02763	1.9
119.03485	4.7
119.05005	1.1
123.04506	0.7
125.02444	1.2
129.01913	0.7
131.03513	1.1
135.04518	0.7
139.04005	1.3
143.03482	2.0
149.04585	0.9
151.03986	0.9
153.01846	1.1
156.05186	0.6
159.02997	4.7
161.04553	28.6
179.05621	13.0
191.05725	1.1
208.03816	0.8
249.06255	1.0
263.11334	56.7
264.11612	3.2
267.07169	12.0
271.05951	1.0
271.08289	5.5
307.10434	0.9
377.14474	39.8
378.14716	2.3
385.11325	12.1
501.77350	0.8
518.53424	0.7
557.77795	0.9
571.21216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.3
61.98825	8.5
69.03455	1.2
71.01381	6.0
73.02908	1.3
80.02682	2.3
81.03439	3.6
83.01402	1.5
83.05022	6.9
84.02128	1.0
85.02942	2.4
87.00877	1.7
88.98782	1.5
89.02454	4.0
93.03439	3.1
95.05003	0.9
97.02960	5.7
99.00883	1.0
101.02447	5.6
107.05015	0.9
109.06593	21.6
110.03716	0.9
113.02428	3.5
119.03506	1.1
121.06606	1.1
125.09709	1.7
135.08113	3.2
136.05237	1.1
137.02373	1.1
161.04591	2.1
161.09705	3.8
163.11285	15.9
165.12845	2.5
171.10266	1.1
181.12320	2.9
185.11824	1.3
187.09650	0.9
189.09160	1.6
191.05603	1.4
191.10735	1.5
205.08656	5.5
207.10255	53.7
208.10515	2.6
209.11829	100.0
210.12166	3.4
213.09142	0.9
221.11708	1.5
225.09100	1.8
225.11308	27.0
227.12877	15.1
231.10089	1.3
235.08218	3.1
253.09303	10.3
265.14423	1.1
267.38635	1.0
299.14450	1.1
325.14346	3.8
326.14777	1.0
399.21652	4.8
417.22702	4.7
443.19080	3.2
445.20248	1.1
461.20212	8.6
462.20761	0.9
491.25986	1.0
565.41528	0.9
586.13928	0.9
635.30664	19.3
636.30847	2.3
653.31726	17.0
654.31940	1.4
671.32782	26.7
672.32947	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4272
Annotation	Tarasaponin VI
Peak:m/z	Relative Intensity
55.01869	0.7
57.03445	2.8
58.00571	0.5
59.01377	17.4
61.98833	0.7
67.01871	1.1
68.99794	0.8
69.03455	0.4
69.97051	0.7
69.97382	0.5
71.01378	13.8
72.99309	3.2
73.02946	0.8
75.00871	5.2
80.60539	0.3
83.01392	3.5
85.02950	11.9
85.79192	0.4
87.00848	0.9
89.02439	8.6
93.03451	0.9
95.01391	5.3
96.95989	0.3
97.02936	1.3
99.00882	6.0
101.02420	1.2
111.00879	6.1
112.01610	0.4
113.02450	8.1
129.01913	1.1
131.03505	1.0
137.02391	1.9
139.00383	3.5
157.01424	1.0
175.02504	0.4
227.69684	0.3
423.70987	0.4
437.34177	0.9
453.33655	2.7
455.35318	5.9
456.35696	0.5
483.34695	2.5
511.34262	0.7
523.37836	1.1
537.35840	1.4
551.37390	3.7
552.37860	0.5
569.38385	2.8
571.36169	0.5
596.38965	0.4
601.46606	0.3
631.38446	1.0
763.42694	100.0
764.43091	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	763.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34573	11.4
61.98825	48.9
64.19312	10.2
64.26392	13.4
67.62541	9.9
159.45970	12.0
178.31827	10.6
209.11844	63.3
227.12961	17.7
235.08211	18.0
278.22162	15.0
281.24802	100.0
309.76944	13.4
573.03003	13.2
641.11829	12.6
763.44812	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98827	100.0
70.52031	0.4
71.01382	0.2
89.02403	0.2
137.02464	0.3
173.04538	0.3
191.05544	0.3
195.54257	0.2
209.11942	0.7
401.94788	0.2
428.17416	0.2
428.45569	0.2
441.59064	0.2
518.59766	0.2
689.78723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.5
61.98811	2.0
69.38971	1.2
69.39355	2.8
71.01386	4.5
81.03444	1.8
83.05027	3.0
85.02937	2.4
89.02451	2.4
96.36494	0.7
97.02950	4.0
99.00876	2.0
101.02443	5.4
109.06586	30.0
113.02439	2.6
119.03506	1.5
121.06565	2.1
121.70179	0.7
128.86615	0.6
135.08144	2.3
136.05215	0.8
156.65646	0.7
161.04526	1.4
163.11275	14.5
179.05597	0.9
181.12325	4.3
189.09192	2.7
201.11382	1.1
207.10252	100.0
208.10481	3.4
209.11812	4.1
210.12158	1.5
225.11311	36.4
235.08182	3.7
236.08461	0.7
253.09264	14.6
254.09605	0.9
255.23380	3.3
256.23636	2.3
257.23868	1.1
260.02637	0.7
277.21716	77.7
278.22104	3.8
299.14941	1.5
360.69315	0.8
423.32666	1.0
441.33624	1.3
443.19278	7.0
461.20258	13.2
462.20773	1.1
465.97989	0.8
467.31696	1.2
703.40289	2.7
721.41669	35.3
722.42352	3.2
727.24286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92826	0.8
59.01377	6.5
61.98822	1.8
63.76481	0.8
67.61181	0.9
70.96140	1.2
71.01372	2.3
73.02932	1.5
85.02956	1.1
87.00839	0.9
89.02440	2.0
96.96003	1.2
97.02952	2.4
99.00871	0.8
101.02445	3.0
109.06592	12.1
113.02436	1.4
116.63091	0.8
128.11632	0.9
135.08153	1.9
144.29013	0.8
161.04582	0.9
161.09712	1.1
163.11317	5.9
182.61195	0.8
189.09138	2.3
207.10252	50.4
208.10580	0.9
209.11795	3.4
210.12177	0.8
225.11278	14.4
235.08220	6.4
253.09267	12.7
255.23273	2.7
256.23529	1.3
257.23917	0.9
277.21710	100.0
278.22046	2.8
441.33987	1.0
443.19061	3.4
445.90836	0.9
461.20233	2.7
467.31317	1.0
513.30328	1.2
529.01123	0.9
703.40540	1.3
721.41632	31.0
722.41742	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	764.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.45608	0.5
69.45983	0.9
80.96532	0.4
108.26153	0.3
125.00109	0.3
131.08157	0.2
264.10208	0.2
579.92108	0.3
656.39380	0.2
697.96515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
59.01373	21.3
67.01901	1.7
68.99813	2.2
69.03445	1.5
69.40293	4.6
71.01381	19.9
72.99300	5.5
73.02944	2.2
75.00873	15.4
81.03466	1.2
82.95404	4.5
83.01394	2.0
85.02440	2.3
85.02940	18.0
87.00870	6.0
89.02425	5.8
93.03465	1.8
93.12142	1.1
95.01358	5.0
96.96014	3.9
99.00888	8.1
101.02433	2.0
103.00404	2.3
103.23749	1.0
108.95610	1.0
109.03004	1.2
111.00908	1.0
113.02441	20.9
115.00378	2.2
117.01934	3.3
119.03506	1.2
121.02950	80.1
122.03228	1.6
125.02423	5.2
129.01903	2.5
137.02469	1.0
138.55887	1.1
144.09520	1.4
150.24452	0.9
161.02431	3.5
175.02513	2.2
191.05574	5.4
205.31078	1.0
224.80534	1.0
231.05057	5.6
249.06125	50.8
250.06543	1.4
276.33493	1.1
279.10828	15.2
282.05338	1.1
371.09793	100.0
372.10110	4.2
393.07507	4.0
406.22284	4.4
416.90234	1.2
521.09882	3.1
643.13989	1.8
765.18555	36.7
766.18652	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	765.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11348	0.4
57.03444	0.4
59.01375	0.7
60.99293	0.9
65.00328	0.5
65.03953	0.4
69.03442	1.0
69.18397	0.9
69.18798	1.5
71.01383	1.8
73.02940	0.8
76.34735	0.3
81.03456	1.4
83.05019	4.0
85.02935	1.1
87.00873	1.9
91.05559	0.6
93.03457	21.2
94.03821	0.4
109.02941	1.4
111.00881	1.7
111.04522	13.8
117.03455	1.0
119.01390	0.5
119.04984	0.8
121.02951	6.3
127.04002	1.6
131.68027	0.3
132.02184	1.0
133.02936	0.9
134.03734	0.5
135.04488	1.5
137.02443	15.8
138.02908	0.5
147.00903	0.5
147.04518	3.0
149.02441	48.5
150.02806	1.7
155.03505	34.3
156.03815	0.8
161.02467	1.4
163.04030	1.9
164.04799	40.3
165.05180	1.5
173.04549	64.5
174.04881	2.3
175.00360	6.8
179.03587	0.6
179.07129	4.5
190.02718	27.7
191.03207	1.4
191.05608	0.9
193.01366	1.3
204.07924	0.6
205.05045	33.0
206.05408	1.4
207.03058	0.9
208.03795	3.5
209.04385	0.6
222.28981	0.4
223.06105	42.6
224.06442	1.3
225.05521	0.7
238.63992	0.4
240.08000	0.6
258.09018	0.8
299.09283	0.7
349.05630	1.1
364.08026	3.9
379.10336	59.2
380.10648	3.4
397.11359	12.0
397.16562	0.7
398.11789	1.0
411.40176	0.5
411.75070	0.4
468.70435	0.5
476.73453	0.4
603.17175	100.0
604.17468	10.6
698.48010	0.4
748.73853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24322	1.7
70.24644	2.2
71.01366	2.4
77.31937	1.1
77.95222	1.2
80.44016	1.2
83.05006	1.7
85.02990	1.3
89.06645	1.5
89.88232	1.2
93.03464	4.6
100.31081	1.1
111.04518	5.8
117.03464	8.1
119.05087	1.4
121.02969	7.2
123.04540	1.7
123.12289	1.3
129.01932	1.5
134.03745	78.8
135.04053	2.4
147.04523	3.5
149.02435	50.6
149.06065	7.3
155.03503	5.6
164.04800	44.3
165.05110	1.6
167.03493	8.2
173.04581	7.7
179.07120	4.6
191.05614	12.1
193.05048	100.0
194.05379	2.9
223.06099	92.2
224.06537	2.1
227.95763	1.4
324.04828	1.4
367.10318	49.9
367.14954	3.1
367.27869	1.6
368.10709	2.2
397.06393	2.6
397.11362	43.4
398.11694	2.0
689.52344	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	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
57.03441	0.6
58.00573	0.9
59.01377	60.2
61.64209	0.6
69.03452	15.1
69.24866	0.7
71.01378	34.2
71.42279	0.9
72.99286	0.7
73.02937	3.1
79.93456	0.6
83.01388	1.5
85.02947	7.8
87.00875	1.6
89.02439	40.1
95.01384	2.3
98.00072	1.4
99.00857	0.8
100.74017	0.7
101.02442	16.8
101.06074	1.4
109.08001	0.6
113.02446	100.0
114.02783	1.1
119.03499	15.1
125.09055	0.6
128.08867	0.7
128.60429	0.6
131.03510	2.4
139.04027	1.4
143.03517	5.1
149.04579	1.5
153.01697	1.1
159.02901	0.9
161.04555	10.8
179.05603	43.7
180.05992	0.7
190.02739	0.9
191.05716	0.7
205.05066	0.7
207.10297	1.0
251.11366	0.7
263.11334	21.7
264.11862	0.8
333.15427	1.0
377.14502	50.9
378.14859	2.0
387.16531	12.2
388.17023	1.1
400.91809	0.7
489.16122	2.7
679.18744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15403	0.3
59.01373	1.7
60.99304	14.1
61.98833	1.6
71.01376	1.6
85.00418	1.4
87.00872	8.0
88.00409	1.6
88.01210	1.0
88.98804	81.5
89.02439	100.0
89.99131	0.8
90.02766	0.7
92.69183	0.2
93.03299	0.2
100.03876	0.3
101.02436	0.9
112.31264	0.2
113.02454	0.4
114.94858	0.3
119.03501	0.3
125.02454	0.6
137.02438	0.3
148.90948	1.2
156.72853	0.3
172.95418	0.5
235.08321	0.4
277.21698	3.4
287.07858	0.3
305.08493	0.3
315.17953	0.3
397.13510	6.7
398.13864	0.5
415.14505	1.5
729.29047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.39
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
60.99307	16.1
60.99627	0.8
61.98837	2.4
71.01377	1.3
85.00446	1.4
87.00883	9.1
88.00419	2.0
88.01214	1.0
88.98806	94.0
89.02441	100.0
89.99174	0.4
90.02773	1.2
101.02427	0.9
113.02466	0.5
122.98158	0.4
137.65350	0.4
148.91017	1.0
177.11378	0.4
209.11800	0.4
235.08083	0.6
277.21704	3.7
278.22052	0.5
281.20480	0.5
397.13513	5.7
415.14575	2.5
420.64026	0.4
765.25696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41220	0.3
59.01380	2.2
61.98835	2.0
64.99834	0.4
71.01381	1.4
73.02946	0.4
73.04513	0.4
77.99951	0.3
78.01868	0.3
80.02661	1.1
81.03464	0.5
83.05027	5.0
84.02172	0.5
89.02442	1.1
95.05019	0.7
98.22595	1.2
101.02419	1.9
113.02438	0.9
135.08147	0.6
156.46872	0.3
161.04553	0.8
163.11288	3.7
165.12837	1.8
171.10262	0.7
177.01935	1.0
181.12308	0.5
191.10786	0.9
209.11819	100.0
210.12163	4.9
227.12872	15.4
228.13199	1.0
235.08224	1.6
253.09265	5.0
329.16916	0.4
382.97598	0.4
445.20715	4.1
463.21957	0.6
619.57068	0.4
637.32532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37497	0.4
62.04926	0.4
84.95121	6.3
85.00424	6.7
86.95478	0.4
87.00872	100.0
88.00384	0.6
88.01221	0.9
88.73813	0.4
98.22773	0.6
112.83117	0.4
133.89713	0.3
191.05672	0.5
228.78406	0.4
253.04648	0.7
427.43835	0.4
608.86230	0.4
677.49469	1.2
762.53979	0.5
765.51312	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	766.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	6.5
58.06313	0.3
59.01363	0.4
66.03484	0.8
70.02970	0.5
71.06125	0.5
72.00896	1.1
74.02467	12.8
74.72514	0.3
81.04587	0.6
82.02972	1.5
84.04559	0.4
85.02959	0.3
86.02468	4.6
86.06133	0.7
86.99097	1.4
87.05640	3.3
88.04018	0.5
90.00182	1.0
96.04536	0.4
97.04063	2.0
99.05638	11.1
99.06288	0.6
101.07187	1.8
102.05599	1.2
107.06136	0.4
109.04061	1.6
109.07708	1.0
111.05653	0.9
112.04032	1.4
113.03606	0.5
113.07246	0.4
116.01748	1.0
118.46504	0.3
120.01251	0.4
123.05634	1.0
124.04028	0.7
125.03581	1.0
126.04398	0.4
127.05151	2.3
128.03532	29.4
129.03889	0.7
129.99637	0.5
131.04655	0.7
135.05646	3.5
137.07196	0.6
139.01503	0.3
141.06702	3.0
143.04614	39.6
144.04947	1.0
145.06201	1.2
146.04579	3.3
149.07231	0.5
153.06691	2.6
155.08289	0.5
160.00723	11.5
166.09842	1.6
167.04633	3.5
167.08305	1.5
170.03319	0.7
171.04144	0.4
171.07733	0.6
177.03387	4.1
179.04626	8.1
181.06160	1.0
184.10915	0.5
185.05638	1.0
191.05521	0.5
192.07802	0.7
197.05663	1.4
197.12454	0.3
198.08826	0.7
210.08818	7.3
211.09225	0.3
213.03271	0.4
228.09888	0.4
238.45392	0.3
242.07866	1.0
254.07805	12.1
255.08177	0.7
272.08875	21.4
273.09259	0.6
288.06558	8.7
289.06976	0.5
306.07623	100.0
307.07944	5.0
345.55792	0.3
752.45587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	6.0
66.03472	0.7
69.27811	1.8
72.00878	0.5
74.02471	12.3
81.04569	0.6
82.02996	1.3
84.04578	0.5
85.04079	0.6
86.02477	4.4
86.06101	0.7
86.99112	0.9
87.05630	3.7
87.25822	0.5
90.00186	1.9
97.04056	1.3
98.22668	0.9
99.05641	9.6
101.07204	1.2
102.05611	1.8
109.04086	1.5
109.07713	0.5
111.05605	0.8
112.04047	1.0
113.03590	0.4
116.01778	0.9
123.05661	0.9
124.04059	1.1
125.03550	1.0
127.05134	2.1
128.03540	26.7
131.04648	0.7
135.05632	3.1
137.07162	0.6
141.06702	3.1
141.19386	0.4
143.04628	33.6
144.05035	0.9
145.06190	1.2
146.04584	3.5
146.06145	0.6
153.06662	2.4
155.08247	0.8
160.00740	10.7
166.09857	1.7
167.04579	2.8
167.08260	1.1
170.03447	0.5
171.07803	0.5
177.03410	4.4
179.04622	8.5
181.06197	1.4
184.10989	0.8
185.05731	1.3
191.05603	1.4
192.07796	1.2
197.05673	1.9
210.08829	7.0
228.09895	0.8
231.04539	0.6
242.07706	0.8
254.07806	11.4
272.08871	19.1
273.09222	0.7
288.06589	7.4
306.07639	100.0
307.07962	4.7
396.00021	0.5
536.49292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
59.01376	3.6
60.99305	1.6
61.98829	10.7
62.33953	1.0
67.01891	9.9
69.03448	1.5
69.29762	5.4
71.01385	6.6
73.02929	1.2
81.03440	2.1
83.05040	2.3
85.02943	7.3
87.00857	5.7
93.03458	63.5
94.92552	1.7
95.05018	2.1
96.96011	15.6
99.04526	2.0
104.46270	0.9
105.03467	6.6
108.02179	1.4
109.02948	7.5
111.04521	8.4
113.02445	1.3
121.02950	1.1
123.04464	1.5
125.02486	1.0
127.03985	1.5
128.85745	1.0
133.02951	39.4
134.03729	1.2
135.04524	27.2
137.02431	2.9
149.06134	1.1
150.03163	1.0
155.03513	4.6
159.04459	1.5
161.02467	4.1
173.04544	100.0
174.03391	1.0
174.04875	2.6
177.01935	13.3
179.03464	11.0
187.04004	7.6
191.05606	69.0
209.11844	1.5
215.05602	20.1
223.88242	1.0
244.33313	1.1
307.08191	3.2
308.08856	1.1
351.07187	53.9
352.07556	2.8
353.09024	2.0
367.10349	16.0
368.10846	1.3
398.16177	9.7
464.17200	1.1
530.21375	1.0
548.22534	1.1
574.20801	15.5
575.20880	1.0
592.21814	5.8
601.85254	1.1
766.27222	3.2
766.39771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81284	3.1
59.01395	3.8
61.98824	5.2
67.01888	7.0
69.85376	10.0
77.03998	3.7
85.02940	3.9
87.00880	9.1
93.03445	43.9
95.05029	4.8
105.03464	12.4
111.04462	7.8
113.02399	3.5
121.02960	4.2
123.04572	4.4
130.24159	3.2
132.02129	4.3
133.02954	100.0
134.03719	13.5
135.04520	60.7
150.03210	5.9
160.01631	8.9
160.86162	3.1
161.02461	21.2
164.88261	3.2
169.64676	3.2
173.04520	24.5
177.01933	27.0
179.03496	40.9
191.05603	31.0
193.05006	7.0
232.81612	3.1
273.26807	3.7
319.79062	3.7
351.07306	15.1
353.08640	3.9
366.09805	3.8
367.10294	62.3
368.10410	5.0
398.16089	48.9
399.16476	4.8
400.17624	60.8
401.17545	5.8
460.06808	3.2
560.19427	5.6
574.20831	10.7
592.21863	19.4
766.26929	50.9
767.26892	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	766.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03444	1.3
59.01378	6.4
60.99300	2.1
61.98822	6.4
65.03967	1.3
67.01891	7.1
69.03455	2.3
70.24629	1.6
70.24962	1.7
71.01376	2.8
71.05028	2.5
73.02958	2.3
81.03454	1.5
83.05035	1.5
85.02946	11.9
87.00873	8.9
93.03456	48.9
94.03744	1.1
97.02940	1.3
109.02952	4.2
111.04516	5.8
113.02454	12.4
123.04494	2.3
125.02448	16.9
127.04015	3.3
135.04533	2.2
137.02498	1.1
137.28227	1.1
139.04001	4.4
151.04018	1.6
155.03481	2.4
161.02505	2.5
167.03439	2.5
168.04227	2.1
169.05032	9.6
172.03864	1.5
173.04549	18.3
181.01463	1.1
190.54935	1.1
191.05609	93.6
192.05978	2.3
200.03305	1.0
200.31514	1.1
273.72153	1.1
277.94360	1.1
350.14120	1.4
357.13568	2.5
366.17252	1.4
434.19229	1.4
490.22617	1.5
516.20490	1.8
534.20923	2.2
560.19031	1.5
574.20691	10.3
575.20837	1.6
578.20349	3.8
592.21759	7.1
766.27118	100.0
767.27039	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	766.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69973	0.1
61.98827	100.0
62.98540	0.2
70.50300	0.2
93.03504	0.1
98.21923	0.1
119.74702	0.1
122.08542	0.1
133.88112	0.1
156.82729	0.1
162.22501	0.1
168.12486	0.1
182.14571	0.1
237.44150	0.1
241.31985	0.1
337.07602	0.2
556.07477	0.1
589.39575	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	766.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.2
61.98808	0.5
71.01385	2.2
71.75993	0.4
73.02953	0.4
80.02661	0.9
81.03448	1.3
83.05019	3.6
84.02170	0.5
85.02927	0.6
89.02431	1.8
89.27065	0.4
95.05062	0.6
101.02427	1.4
113.02454	1.2
125.15319	0.5
127.29919	0.4
135.08136	0.5
161.04550	0.9
163.11293	3.3
164.27066	0.4
165.12820	1.8
179.05693	0.5
181.12335	0.9
191.10735	1.0
209.11815	100.0
210.12151	2.8
227.12877	12.5
235.08220	1.7
253.09248	7.1
277.21710	51.0
278.22028	2.2
445.20782	2.6
707.57190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42332	0.4
55.44019	0.4
59.01376	4.0
61.98816	0.5
71.01377	2.4
73.02948	0.7
78.90533	0.4
80.02645	0.5
83.05029	3.1
85.02938	0.9
87.00847	0.6
89.02452	1.5
101.02440	2.1
110.57263	0.5
113.02413	0.9
119.03562	0.5
145.05075	0.8
161.04588	1.2
163.11261	2.1
165.12793	1.1
191.10881	0.7
209.11833	75.7
210.12186	2.3
227.12889	12.1
228.13205	0.7
235.08217	6.4
253.09280	9.8
275.20111	0.5
277.21722	100.0
278.22089	4.9
319.16742	0.5
322.46155	0.6
333.20352	0.4
348.30817	0.5
445.20767	0.9
463.20969	0.5
509.21021	0.5
513.30786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
58.54533	0.2
59.01368	1.6
59.53590	0.2
67.01881	0.4
69.03453	0.3
71.01366	0.9
71.42582	0.4
73.02933	0.4
81.03423	0.3
83.01338	0.3
85.02950	6.3
87.00871	3.2
89.02402	0.3
93.03455	3.3
101.02438	0.4
109.02954	2.2
111.04498	1.4
113.02420	1.1
119.05030	1.0
121.03014	0.3
125.02444	2.1
126.02836	0.3
127.04005	1.5
137.02417	0.5
137.59363	0.2
145.02969	0.8
150.56277	0.3
151.04077	0.4
153.01921	2.4
153.05547	1.9
154.05972	0.3
161.02454	0.6
163.04028	1.5
164.01259	0.3
168.04300	0.3
171.02991	0.6
173.04549	1.5
175.02472	0.6
175.03891	0.3
183.06647	0.3
191.05598	100.0
192.05960	2.8
315.07217	1.3
337.09268	26.9
338.09576	2.2
339.12405	0.3
353.17368	0.3
359.07257	0.5
372.87268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01379	100.0
63.34420	1.0
69.24933	3.8
71.01381	55.8
72.94461	0.9
72.99306	1.7
73.02948	9.4
83.01404	3.0
85.02946	9.6
87.00873	3.9
89.02441	67.4
93.03458	1.9
93.47934	0.8
95.01386	4.9
98.21832	1.6
98.51005	0.9
101.02443	30.2
107.03496	1.1
108.02170	6.6
111.21830	0.9
113.02450	26.4
119.03501	23.7
121.02983	3.7
122.03764	1.8
123.04504	7.6
125.02435	1.7
131.03510	4.8
136.01660	46.1
137.02446	1.6
143.03490	8.3
149.04573	5.4
149.05931	1.0
151.04001	71.9
152.04362	1.3
156.90160	0.9
159.04543	2.1
160.05296	2.4
161.04543	17.6
162.03259	1.0
173.04515	0.9
175.07610	1.5
179.05612	41.2
187.04016	2.5
188.04756	3.4
191.05635	3.4
203.07127	8.3
221.06662	2.7
261.05762	1.1
263.07141	1.6
278.09473	1.2
279.06546	6.0
291.06531	1.2
294.08951	4.4
309.07965	1.3
309.11249	11.9
321.11237	1.2
327.12390	2.4
339.12341	27.5
340.12866	1.4
342.10983	3.8
357.13416	85.8
358.13794	3.8
372.13831	0.9
381.13541	2.3
389.75986	0.9
489.17627	9.5
501.17682	34.0
502.18060	3.1
519.18842	4.0
531.18628	2.8
543.18689	14.2
544.19189	1.4
561.19720	3.6
602.67163	1.0
743.43604	1.1
750.05707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67333	0.3
55.01873	0.7
57.03442	0.3
57.89326	0.2
59.01379	100.0
59.47859	0.2
60.01729	0.5
69.03455	0.6
71.01383	8.2
73.02946	3.4
83.01410	0.8
85.02953	3.1
87.00886	0.4
89.02450	3.5
90.24864	0.2
95.01427	0.6
96.96029	0.8
99.00892	0.8
101.02443	5.6
113.02451	7.2
114.02863	0.2
119.03513	1.2
135.04541	0.5
141.73645	0.2
143.03510	0.5
149.04550	0.3
150.03285	0.4
152.01216	0.4
159.03033	0.4
161.02460	1.0
161.04558	2.6
172.30467	0.2
179.03571	0.5
179.05649	0.8
188.09509	0.3
191.05711	0.9
235.11873	2.4
245.09317	0.4
313.16727	0.8
323.07672	0.3
331.17554	3.8
332.17874	0.3
349.14981	0.5
373.18683	8.0
429.14978	0.3
491.12299	0.6
786.24432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03436	3.0
59.01376	100.0
61.98827	1.9
69.03446	1.7
71.01377	52.9
72.99302	2.8
73.02938	8.5
81.03427	1.3
83.01378	6.7
85.02949	21.9
87.00865	5.0
89.02441	29.8
93.03444	2.4
93.07098	1.2
95.01381	5.4
97.02950	3.3
99.00880	3.8
100.69609	1.1
101.02438	31.8
111.00827	2.0
111.08146	1.0
113.02452	23.5
113.03246	1.5
113.06091	2.5
115.04025	1.3
116.92876	1.4
119.03487	9.4
124.01649	1.6
125.02443	4.3
129.01967	1.6
131.03464	1.1
135.04443	1.1
137.09644	1.0
139.04016	10.8
139.07611	1.2
143.03450	4.0
155.14323	1.3
159.02988	1.7
161.04561	3.5
173.04555	1.1
177.01950	1.2
179.05623	2.1
183.13924	1.5
191.05582	3.1
199.17123	1.2
201.04057	5.5
209.15382	1.1
221.51765	1.0
227.16576	3.4
229.18147	2.4
243.10309	1.5
326.08264	1.3
389.21786	5.4
391.23367	1.6
429.25055	1.2
477.48734	1.3
483.29553	3.0
501.30661	8.7
519.31708	5.8
543.19330	1.2
627.33746	1.9
653.32751	1.5
663.35907	88.0
664.36169	5.5
681.36957	57.7
682.37579	5.4
723.37988	45.8
724.38336	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	767.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18385	0.2
59.01361	0.7
59.39729	0.2
60.99306	15.0
67.64909	0.2
69.66898	0.2
71.01376	0.7
87.00877	5.7
88.00413	1.1
88.01217	0.9
88.04027	0.4
88.98804	100.0
89.02441	25.6
89.99132	0.6
93.03494	0.3
127.12089	0.2
134.03821	0.2
151.90694	0.2
169.69371	0.3
173.04614	0.5
191.05563	0.4
193.76770	0.2
228.48419	0.2
399.37897	0.3
450.74072	0.2
677.49371	2.4
678.49811	0.3
734.18256	0.4
767.52130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25550	0.1
61.98828	100.0
62.98526	0.1
69.13579	0.4
69.13983	0.3
82.98757	0.1
115.08764	0.1
129.74432	0.1
137.33981	0.1
191.05669	0.1
209.11867	0.1
215.81227	0.1
242.80411	0.1
322.85562	0.1
383.30954	0.1
448.28085	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	769.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87588	0.8
56.75599	0.8
59.01381	6.8
65.01959	0.9
66.83293	0.8
67.86582	0.7
71.01379	2.6
71.39900	0.8
73.02925	0.9
83.05005	0.9
85.02967	1.0
89.02444	1.8
89.03991	1.1
93.03446	2.4
93.67627	0.8
96.80607	0.8
97.02943	2.2
101.02428	1.0
107.05027	5.5
109.06579	2.9
111.04521	3.8
117.03481	8.9
120.63332	0.7
121.02949	1.0
123.04542	1.3
134.03746	86.6
135.04564	8.3
136.01587	1.2
137.06082	3.3
142.33850	0.9
149.06070	7.4
151.04045	2.8
153.05579	17.7
155.03500	3.2
156.75082	0.8
173.04532	3.8
177.05566	1.6
183.16202	0.8
191.05594	5.5
193.05054	100.0
194.05379	2.0
227.05650	2.4
297.09763	9.0
315.10846	10.2
316.10825	0.9
329.75363	0.8
337.84241	0.8
340.56415	0.9
357.11917	41.5
358.12057	1.3
367.10321	50.3
368.10748	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03446	0.6
59.01379	100.0
59.78939	0.4
60.01710	0.8
69.03437	1.1
69.10877	1.2
69.11300	1.6
71.01385	12.2
71.01783	0.6
73.02940	5.1
74.02470	1.1
82.66953	0.4
83.01400	2.3
85.02956	5.6
87.00874	0.8
89.02441	0.9
93.03489	1.0
95.01427	1.0
97.02954	0.5
98.21943	0.9
99.00883	1.9
99.74689	0.5
100.51958	0.5
101.02441	9.6
102.43910	0.4
106.04281	0.8
107.05031	0.7
109.86106	0.5
113.02448	11.8
116.03593	1.0
116.92918	0.6
119.05042	0.9
133.02975	0.5
134.83846	0.4
135.04539	0.7
136.01714	0.4
137.02513	0.6
137.06082	30.7
138.06433	0.7
143.03532	0.6
147.04507	0.8
159.03009	1.5
161.04562	12.8
162.04930	0.6
165.01910	0.5
165.05629	1.7
173.04552	1.3
179.05710	0.7
183.98813	0.4
191.05643	1.5
195.06572	0.7
203.08318	0.5
220.09265	0.5
245.09279	2.6
261.08807	0.8
269.10284	10.7
270.10791	0.5
287.07144	0.4
299.11371	9.2
300.11923	0.4
311.11392	8.4
312.11890	0.4
402.36652	0.4
413.14554	2.0
503.19061	0.5
782.89545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03446	0.6
59.01379	100.0
59.78939	0.4
60.01710	0.8
69.03437	1.1
69.10877	1.2
69.11300	1.6
71.01385	12.2
71.01783	0.6
73.02940	5.1
74.02470	1.1
82.66953	0.4
83.01400	2.3
85.02956	5.6
87.00874	0.8
89.02441	0.9
93.03489	1.0
95.01427	1.0
97.02954	0.5
98.21943	0.9
99.00883	1.9
99.74689	0.5
100.51958	0.5
101.02441	9.6
102.43910	0.4
106.04281	0.8
107.05031	0.7
109.86106	0.5
113.02448	11.8
116.03593	1.0
116.92918	0.6
119.05042	0.9
133.02975	0.5
134.83846	0.4
135.04539	0.7
136.01714	0.4
137.02513	0.6
137.06082	30.7
138.06433	0.7
143.03532	0.6
147.04507	0.8
159.03009	1.5
161.04562	12.8
162.04930	0.6
165.01910	0.5
165.05629	1.7
173.04552	1.3
179.05710	0.7
183.98813	0.4
191.05643	1.5
195.06572	0.7
203.08318	0.5
220.09265	0.5
245.09279	2.6
261.08807	0.8
269.10284	10.7
270.10791	0.5
287.07144	0.4
299.11371	9.2
300.11923	0.4
311.11392	8.4
312.11890	0.4
402.36652	0.4
413.14554	2.0
503.19061	0.5
782.89545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.9
61.98829	100.0
62.90999	1.8
69.09589	12.5
71.01374	6.1
73.18073	1.8
73.44825	2.0
78.91897	4.6
80.91706	2.6
82.95425	12.2
83.05035	3.2
93.03454	4.6
94.03710	2.1
96.96016	15.7
98.22699	4.5
101.02438	2.9
107.72880	1.9
109.06575	3.0
113.02436	3.2
116.92897	2.0
118.10330	2.0
133.02942	11.8
134.03432	2.0
135.04533	5.0
136.04900	3.4
163.11244	2.7
171.10222	6.3
173.04564	2.8
177.01949	3.7
178.02310	2.6
179.03596	3.8
179.05264	2.0
191.05658	8.4
197.11874	3.2
207.10208	6.3
209.11813	42.6
210.12170	2.7
211.13434	2.4
225.11327	5.9
227.12862	8.6
235.08279	2.0
237.14972	27.8
253.09204	6.7
255.16129	10.5
287.16501	3.7
305.17572	4.0
325.20160	3.5
402.00064	2.1
473.23755	3.7
595.22534	4.4
611.63287	2.7
695.40350	2.1
769.38263	17.0
773.72809	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	769.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36393	2.2
57.03437	2.2
59.01374	21.9
61.98824	15.9
69.03474	3.8
71.01388	11.5
71.05020	4.4
73.02954	3.9
80.02711	2.7
81.03470	2.9
83.05031	9.9
85.02946	6.6
87.00866	2.1
89.02448	6.6
95.05077	2.5
96.96015	9.0
97.02954	9.9
97.06588	3.3
98.21786	3.8
99.00842	3.3
101.02435	10.2
106.04266	2.0
107.05045	2.5
109.06584	40.3
110.03738	2.4
111.04501	2.4
113.02438	7.4
119.03527	3.7
125.09737	3.2
135.08179	7.0
142.02800	2.2
161.04543	4.0
161.09743	5.5
163.11258	21.7
165.12949	2.4
169.12317	7.9
171.10272	8.7
179.10753	6.7
181.12329	4.8
183.13870	2.5
189.09174	2.8
191.05602	5.2
197.11823	62.6
207.10251	100.0
209.11821	61.7
211.13353	11.5
223.09760	4.7
223.17218	2.9
225.11295	39.7
227.12907	8.7
235.08197	7.5
237.14984	4.0
250.14644	2.2
251.16614	7.6
253.09286	25.7
277.18265	2.7
287.16486	4.6
289.17993	7.0
291.19733	3.2
305.17465	14.7
307.19174	5.0
309.20667	7.2
323.18390	3.2
325.20184	56.7
342.97797	2.4
384.98938	2.6
398.48169	2.6
428.55319	2.4
443.19022	3.9
461.20374	7.9
541.26709	2.7
543.28094	3.6
561.29199	4.0
733.37781	2.8
751.39111	7.2
769.40125	89.9
770.40283	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	769.401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.7
61.98814	3.7
68.35077	1.8
69.03453	3.1
69.60775	5.2
69.61160	2.5
71.01382	8.0
71.05011	3.5
74.23920	1.5
83.05018	2.0
86.78808	1.5
89.02471	3.0
96.95979	2.4
101.02413	4.7
111.08157	3.3
113.02410	2.7
119.03452	2.0
123.08162	2.1
125.09686	1.7
153.12875	2.4
154.56210	1.7
161.09673	4.0
169.12299	1.8
171.10136	3.5
179.10776	5.2
197.11824	99.1
198.12257	3.8
199.13449	1.9
209.11772	7.9
223.09789	2.2
225.11205	2.8
241.10793	4.6
253.09258	4.1
291.19681	2.1
293.21426	1.7
309.20529	3.3
412.22104	1.7
477.19846	2.8
480.69907	2.0
604.18597	1.8
624.19916	2.0
769.40112	100.0
770.40216	8.5
781.19928	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	769.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67391	35.9
63.47255	35.1
63.66231	34.7
105.05446	34.5
161.51346	33.8
208.68881	37.4
209.11816	100.0
238.25842	38.1
246.31865	38.1
255.23312	93.1
617.29565	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03455	1.6
59.01075	1.0
59.01374	18.3
65.52891	0.7
66.04765	0.6
69.03452	11.7
70.25882	0.7
71.01380	13.2
71.42709	0.7
73.02944	7.8
75.95471	0.5
83.01401	4.0
85.02947	10.0
89.02428	1.4
93.83183	0.6
95.01376	0.9
97.02915	0.8
98.00110	0.7
99.00887	3.2
101.02441	14.6
104.91039	0.5
109.02989	0.7
111.00895	0.6
113.02451	100.0
114.02773	2.0
119.03491	0.6
125.02457	1.3
125.87792	0.6
136.73500	0.7
137.51588	0.7
139.04050	1.0
155.16667	0.6
159.03036	1.3
161.04564	5.3
191.05576	3.9
206.72618	0.7
221.10294	76.1
222.10640	1.7
243.02928	1.3
271.02460	0.9
275.36908	0.7
299.01892	1.1
300.02472	1.2
302.17630	1.7
314.04193	0.8
315.04953	0.6
335.13428	20.5
335.17209	1.2
336.13669	0.7
340.19119	0.7
342.14383	0.8
358.20221	1.7
398.06320	0.6
434.21866	11.6
435.21890	0.7
519.47601	0.7
564.22534	0.8
610.14606	1.0
770.21906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
58.99944	0.5
59.01367	1.8
61.98817	0.7
69.15885	2.4
69.16286	1.3
71.01382	7.3
85.02953	0.8
89.02407	0.6
89.54317	0.5
98.24066	0.6
101.02434	1.2
111.00849	0.8
113.02420	1.5
115.00369	11.3
120.01260	0.6
121.02945	7.3
136.05299	9.8
161.04504	2.9
173.04500	0.8
176.35645	0.6
183.11783	0.8
191.05603	1.1
227.10776	100.0
228.11111	3.4
243.10355	0.7
251.10963	0.8
251.13695	0.6
259.04593	1.4
389.16043	24.9
487.16022	4.2
551.21191	1.4
579.18939	0.7
649.21362	23.7
650.21576	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	771.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27002	0.5
59.01377	15.0
69.18188	2.7
71.01382	5.4
73.02939	1.2
80.15122	0.5
83.01376	0.6
85.02944	1.9
87.00900	0.6
89.02448	4.9
98.21890	1.1
101.02419	2.5
109.94415	0.5
113.02453	2.3
119.03496	2.0
121.02957	1.5
122.03754	1.0
123.00915	0.6
136.01657	20.1
137.02429	2.1
138.03133	0.6
140.25357	0.5
145.08705	1.2
149.02463	0.6
151.00412	4.2
151.04002	36.3
152.04474	0.7
160.05322	0.7
161.04564	2.2
162.74850	0.6
166.02702	20.1
167.03528	0.5
173.04539	1.3
175.07701	0.6
179.03377	0.6
179.05652	4.3
181.05070	30.0
191.05597	0.9
203.07127	1.2
205.08714	0.5
243.10394	0.6
277.15570	0.8
307.14011	4.0
329.10284	0.9
357.09723	6.5
357.13776	0.5
369.13409	2.6
372.12085	7.4
387.14471	100.0
388.14899	4.0
394.56140	0.5
519.18726	0.8
531.18591	4.0
549.19757	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	771.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87113	0.1
59.01379	0.8
61.98826	2.8
63.99236	0.2
71.01394	0.4
75.56146	0.2
78.95894	1.2
79.73223	0.2
79.95731	3.0
80.91678	0.4
80.96510	0.2
82.95406	0.9
85.02966	0.3
94.98088	0.7
95.99925	0.2
96.00963	0.2
96.96008	100.0
97.95926	0.2
100.88762	0.2
101.02436	0.4
113.02452	0.3
135.04477	0.2
136.05312	1.1
149.06062	0.2
150.06783	0.2
162.06773	0.2
163.07545	0.2
165.09189	0.5
171.10324	0.2
173.04524	0.3
191.05606	0.6
209.11835	2.6
225.11310	0.2
265.07526	1.9
291.03909	0.3
307.08698	0.3
349.13727	0.2
390.12372	0.2
449.32513	0.5
457.19342	0.4
475.19879	0.3
483.15396	0.7
495.32986	1.1
657.38690	1.5
771.41998	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	771.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04413	23.3
56.97204	23.0
59.01370	45.0
61.98832	68.3
65.99982	25.9
71.01384	100.0
87.00853	30.1
98.22669	61.9
116.92832	41.8
171.10265	42.4
198.69855	25.6
225.11307	29.8
247.85432	28.3
251.85812	24.5
253.09561	27.1
293.21060	43.1
771.40631	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03422	1.0
59.01374	5.6
59.51697	0.4
61.98830	3.7
69.03429	0.5
71.01368	3.8
73.02931	1.3
80.02663	1.4
81.03450	1.3
82.95406	1.8
83.01386	0.9
83.05026	6.9
84.02155	0.8
85.02944	1.4
87.00866	0.9
89.02430	2.3
93.03452	0.9
94.98067	0.4
95.05013	1.6
96.95998	1.7
97.02970	0.8
97.06570	1.3
98.21854	0.6
98.95554	0.5
99.00858	0.5
99.04460	0.4
101.02440	2.7
109.06589	2.0
110.03778	0.6
113.02435	1.8
114.93357	0.6
115.07664	0.5
116.92883	0.4
119.03523	0.6
123.08137	0.7
125.02424	0.5
125.06055	1.2
125.09708	1.6
127.07677	0.9
131.03435	0.4
135.08153	1.1
139.07637	0.4
145.05023	0.4
153.09200	4.2
155.10780	0.6
161.04529	1.4
163.11246	4.5
165.12840	2.8
171.10266	10.3
173.04584	0.6
178.10115	0.6
179.10722	0.5
180.83504	0.4
181.12323	1.0
185.11867	2.1
191.05679	0.7
191.10727	1.7
195.14012	0.4
197.11772	2.7
199.13316	0.9
201.11308	1.7
207.10359	1.8
209.11815	100.0
210.12117	4.2
211.13361	2.0
221.11963	0.7
225.11328	1.8
227.12888	11.7
228.13297	0.8
234.78749	0.4
235.08173	3.5
235.13452	0.5
237.14911	2.7
238.12042	0.7
245.19109	1.1
253.09254	11.1
255.51114	0.5
263.20151	0.6
270.76132	0.4
289.18118	7.0
290.18423	0.9
291.19592	0.8
305.05917	0.4
307.19131	18.8
307.22781	1.0
308.19455	1.6
309.20547	1.0
325.20181	16.6
326.20547	0.9
327.21597	1.2
345.20566	0.8
445.20755	1.7
517.31921	0.8
521.76031	0.4
525.27203	0.7
543.28156	4.4
544.28558	0.5
561.29089	1.1
707.77246	0.5
735.39691	1.6
753.40509	3.3
754.40643	0.6
771.41132	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	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01375	4.8
61.98835	1.2
69.03458	0.8
71.01376	3.7
71.05019	1.5
73.02930	1.3
80.02665	1.6
81.03432	1.4
82.95402	1.4
83.01392	0.8
83.05019	5.4
84.02154	0.8
85.02942	1.3
85.06588	0.3
87.00874	0.7
87.04517	0.4
89.02440	2.3
91.05524	0.4
93.03430	0.5
95.05031	0.9
96.96020	0.3
97.02954	1.3
97.06612	1.3
101.02438	3.2
107.05045	0.4
109.06591	7.2
110.06882	0.3
111.04521	0.5
111.08109	0.4
113.02435	2.0
115.07628	0.5
119.03475	0.7
123.08143	0.4
125.06042	0.6
125.09704	0.7
127.07648	0.7
135.08174	0.8
137.09688	0.3
143.03514	0.5
145.05051	0.3
151.11282	0.5
153.09207	1.0
153.12790	0.5
155.14362	0.4
161.04576	1.5
163.11285	4.9
165.12843	2.4
169.12280	1.4
171.10249	3.4
179.05656	0.3
179.10785	0.4
181.12360	1.6
183.13882	0.7
185.11836	0.6
191.05577	0.3
191.10765	1.1
193.12396	0.6
197.11812	11.4
198.12102	0.7
199.13380	1.0
201.11232	0.6
207.10274	4.0
208.10631	0.3
209.11818	100.0
210.12144	5.4
211.13387	7.7
212.13661	0.4
221.11772	0.4
225.11333	1.6
227.12874	13.0
228.13235	0.7
229.14384	0.4
235.08234	4.6
235.13354	2.1
237.14937	2.1
249.14880	0.7
253.09276	12.4
254.09676	0.3
267.16190	0.3
289.18085	4.4
307.19150	5.6
308.19547	0.3
309.20609	0.8
320.24768	0.3
325.20181	31.0
326.20474	2.3
326.72495	0.2
327.21747	3.0
328.21942	0.4
343.21115	0.3
445.20825	1.8
446.21375	0.3
461.20313	0.5
463.21506	0.3
517.31824	0.3
525.26251	0.3
543.28101	1.4
544.28143	0.3
545.28876	0.3
561.29028	1.2
735.40405	0.7
753.40686	1.0
771.41785	2.0
772.42798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15915	2.0
54.23019	2.4
59.01376	12.9
61.98826	5.0
64.70749	2.0
69.19991	12.5
70.45162	2.0
71.01377	14.8
73.02962	2.2
78.62576	2.1
101.02430	3.5
109.06569	3.6
124.32692	2.0
125.09724	2.3
161.04547	2.1
171.10286	13.2
181.31267	2.1
199.09666	11.1
201.11339	11.3
207.10262	10.2
225.11285	9.0
235.08209	5.2
253.09277	7.5
255.23282	100.0
256.23578	3.4
337.86185	2.3
673.41595	7.0
699.42816	6.9
717.43909	3.4
735.44940	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	771.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96723	2.1
58.72616	2.4
59.01377	100.0
61.98822	11.2
70.25794	2.4
71.01390	14.2
73.02963	3.3
88.26180	2.2
101.02422	4.8
101.57980	2.8
103.00411	3.6
103.01495	58.1
111.93634	2.3
141.17841	3.0
171.10187	13.2
199.09645	7.1
201.11237	14.1
207.10223	7.7
209.11848	5.9
212.92264	2.5
218.43138	2.5
219.14941	2.4
225.11307	12.3
227.84708	2.5
235.08263	7.9
253.09207	7.6
255.23289	98.5
256.23590	6.4
279.23279	8.4
318.86664	3.0
673.41455	6.9
699.43085	7.7
717.44446	4.1
735.45264	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	773.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
63.73518	0.1
71.01378	14.1
77.03978	0.2
77.94549	0.2
83.24314	0.2
83.24821	0.2
85.02935	0.2
88.45705	0.2
89.02437	0.2
90.12289	0.2
91.05534	0.2
93.03448	0.4
96.50454	0.2
101.02449	0.2
102.75957	0.1
109.02969	0.4
113.02474	0.6
115.00368	8.4
121.02952	100.0
122.03291	1.2
133.02962	0.2
135.04518	0.6
137.02448	0.5
151.04022	0.2
164.82065	0.2
165.39291	0.2
170.47978	0.1
173.04518	0.3
179.03516	0.3
191.05608	1.7
237.04031	17.6
238.04420	0.4
267.07196	0.4
369.08261	0.3
385.11392	0.6
388.17691	1.0
566.21240	0.2
727.21490	0.2
752.04517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.56107	0.5
61.98831	0.5
71.01373	3.1
73.02940	7.4
73.03301	0.5
83.01392	1.5
89.02450	0.6
98.05730	0.4
101.02439	4.1
113.02482	1.9
118.76331	0.5
119.03520	0.5
144.54074	0.5
149.04601	0.6
150.06885	1.5
161.04617	1.7
161.13347	9.0
165.09225	0.9
172.16603	0.5
187.11305	0.6
191.05608	0.5
205.12323	42.6
206.12769	1.6
223.13422	2.7
249.11345	5.0
265.14508	1.8
267.12411	1.7
309.13455	9.8
394.39731	0.4
497.35498	0.9
503.64120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98829	1.4
64.43504	0.2
67.99793	0.2
71.01369	1.9
78.95903	2.0
79.95736	3.1
89.02452	0.2
94.98100	0.4
96.00896	0.5
96.96008	100.0
98.22623	0.4
99.00902	0.2
103.43324	0.2
113.02382	0.2
116.92876	0.3
116.98783	0.2
118.96651	0.3
138.02553	0.2
140.98759	0.3
144.98219	0.2
156.98183	0.2
163.11327	0.2
171.10262	1.8
182.99849	0.3
199.09732	0.3
201.11336	0.2
207.10281	0.4
209.11920	0.2
225.11349	0.2
253.09229	0.3
267.10770	0.2
275.20154	0.2
277.21753	0.7
293.21222	1.1
375.18594	0.2
397.13522	0.6
407.17627	0.8
435.08112	1.1
453.09372	2.4
461.20532	0.3
593.26746	0.3
617.02142	0.2
713.30566	2.3
773.43378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	11.0
61.98826	43.3
71.01355	8.9
78.34435	7.3
79.04917	9.3
88.73611	8.2
89.02470	12.8
94.92489	9.9
96.95980	17.4
109.06566	20.2
115.49239	7.9
128.49844	9.2
152.66408	7.4
163.11270	10.0
195.14000	8.2
207.10246	81.7
209.11819	65.0
225.11275	36.1
227.12820	10.4
235.08167	17.3
253.09213	46.4
275.19992	16.7
293.21216	100.0
295.22687	66.5
319.25500	9.7
443.19611	12.4
461.19836	13.0
629.80408	8.1
737.40906	63.8
763.57483	10.1
773.38104	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01117	0.6
59.01380	7.5
61.98829	2.5
66.95916	0.5
69.03452	0.5
69.41986	1.2
69.42399	0.7
71.01377	4.9
73.02941	2.2
78.87659	0.5
80.02695	1.0
81.03439	1.0
81.26004	0.4
82.95419	4.3
83.01375	0.9
83.05022	5.7
84.02134	0.6
84.95130	0.7
85.00451	0.6
85.02946	5.5
87.00884	0.8
89.02435	3.0
95.01370	0.5
95.05034	0.9
96.96008	2.5
97.02934	1.5
97.06563	2.0
99.00899	0.5
101.02430	4.6
109.06580	0.7
110.67056	0.4
111.04525	0.5
113.02428	2.6
116.92848	1.3
119.03490	1.3
123.08257	0.5
125.02435	0.6
125.06116	0.5
125.09733	0.6
127.04011	0.5
127.11292	1.0
133.05028	0.4
135.08133	0.7
137.09691	1.2
139.04039	0.4
143.03452	0.8
148.77466	0.4
155.10768	0.6
161.04512	2.9
163.11302	3.3
165.12827	2.3
171.10263	11.8
181.12308	0.7
183.13910	1.6
185.11884	0.6
191.05588	0.6
191.10793	1.1
193.12347	0.7
197.11803	0.6
199.13420	0.4
201.11290	0.8
209.11819	100.0
210.12158	3.0
211.13374	10.4
221.11810	1.6
227.12854	11.9
228.13101	0.5
229.14429	8.1
235.08221	7.5
239.12885	0.5
253.09271	18.6
254.09509	0.6
291.19620	3.6
309.20676	8.6
327.21741	56.4
328.22107	2.7
431.85620	0.4
445.20807	1.6
519.32788	1.0
545.29608	1.4
563.30695	3.3
572.32452	0.5
659.37012	0.7
773.42883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24830	0.6
59.01378	4.5
62.99062	0.8
65.83083	0.7
67.01889	1.0
67.77949	0.6
71.01362	2.4
73.60477	0.6
73.79681	0.6
85.02962	1.1
89.02393	1.0
93.03450	1.3
96.96018	1.2
101.02441	0.9
108.02187	0.9
109.02947	1.8
112.44698	0.8
113.02451	1.5
115.28993	0.9
121.02972	6.1
122.03732	2.8
123.00880	1.7
124.01634	0.7
125.02502	0.9
135.04512	5.5
136.01663	21.1
136.02719	1.0
137.02448	17.3
139.03979	1.6
139.16406	0.8
150.03258	1.6
151.00389	5.4
151.04001	27.9
152.01128	1.5
152.04462	1.0
153.01836	0.8
160.05336	1.0
161.02403	0.6
161.06036	0.8
162.03339	1.3
163.03995	3.1
164.01176	1.9
164.04860	0.8
165.01926	100.0
165.05550	3.1
166.02711	16.6
167.03490	3.5
175.03941	3.2
175.07660	0.9
177.01961	1.9
177.05527	0.8
179.03484	21.7
179.07056	0.8
180.04277	56.5
181.05060	24.0
182.66040	0.7
189.05560	2.8
190.06314	5.1
191.05623	2.4
192.04250	1.2
193.05014	0.7
194.05843	4.9
195.03055	3.3
195.06616	79.0
196.06976	2.2
205.08635	1.3
207.06619	2.2
210.05318	12.7
211.05794	0.7
221.08148	0.8
225.07671	61.4
226.08109	2.0
241.76460	0.7
281.38223	0.8
325.10529	0.8
340.69901	0.7
342.10748	1.1
356.12674	2.4
357.09637	4.5
357.13464	6.2
359.11234	1.2
372.12173	4.5
373.12854	0.9
385.13434	0.9
386.13751	3.7
387.14465	51.6
388.14685	2.8
417.15469	0.9
520.17474	1.6
535.19708	2.2
550.18671	2.4
565.20752	56.1
566.21027	4.9
595.21710	1.9
613.22833	34.4
614.23108	4.1
775.38416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.4
61.98837	2.4
69.13204	3.4
69.13612	5.4
78.81059	1.4
93.03465	5.0
96.96017	4.3
101.02466	1.9
109.02956	3.6
121.02943	5.7
122.03756	14.8
123.00850	1.4
133.02939	2.7
136.01682	1.6
137.02467	14.7
145.95526	1.4
149.02458	22.0
150.03226	88.4
151.00348	10.0
151.03920	5.4
152.01158	3.5
152.04785	5.9
164.04784	6.0
165.01906	3.9
165.05566	100.0
166.01277	1.7
166.02695	31.8
166.05861	2.0
167.03476	2.8
175.04024	3.8
175.28401	1.6
177.01936	2.9
177.05545	2.6
178.02660	2.6
179.03522	2.1
180.04318	8.3
181.05084	36.5
187.03960	4.2
190.06369	2.5
191.05551	3.0
192.04276	1.8
193.04980	1.9
195.06621	61.3
205.05075	5.6
213.09270	2.3
220.07338	4.5
225.07645	4.9
226.27342	1.5
327.30051	1.7
372.12009	1.8
387.10590	3.7
387.14948	8.7
402.13165	4.3
416.14795	3.2
417.15515	57.8
418.15933	2.6
475.29474	1.5
535.17554	1.6
550.18738	2.0
559.65442	1.7
565.20764	60.1
566.21185	5.2
583.22241	2.0
595.21783	2.9
613.22931	46.8
614.23523	7.3
702.49438	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	775.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	0.6
61.98808	0.4
71.01389	1.5
75.00881	0.9
80.28033	0.5
82.95424	1.3
83.05022	1.0
84.95115	1.0
85.00427	1.6
85.02962	1.2
87.00900	0.7
89.02451	1.1
93.03461	0.8
96.96016	1.3
101.02432	1.7
103.00480	7.1
103.01494	73.5
113.02441	0.9
139.03976	0.5
171.10257	2.6
191.05537	0.8
197.11824	0.9
209.11823	9.3
210.12131	5.0
227.12822	1.8
228.13039	0.8
235.08180	0.8
253.09305	2.2
254.09775	0.5
267.00262	0.5
290.72107	0.5
309.20599	1.1
310.21100	0.9
327.21753	4.2
328.22156	3.4
329.22260	1.9
422.03195	0.5
456.53192	0.5
563.47491	0.6
661.35938	1.1
775.39777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	7.5
61.98819	10.4
71.01380	3.0
76.84018	1.8
78.00780	1.9
78.15146	1.6
89.02460	2.0
101.02453	3.9
109.06609	3.4
145.05133	1.7
161.04523	3.2
161.37695	1.8
163.11307	2.0
171.10269	12.4
181.08629	3.3
199.09755	13.5
201.11276	2.7
207.10275	27.5
218.86966	1.8
225.11304	31.9
235.08186	10.3
253.09282	14.6
277.21710	100.0
278.22101	7.2
321.67664	2.1
417.17871	2.7
443.19101	6.3
461.20505	11.8
461.42593	1.9
513.30737	6.5
677.38416	2.1
695.39996	42.4
696.40607	7.0
721.41687	39.0
722.41901	7.0
775.40234	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53115	2.5
59.01367	6.6
61.98825	18.1
69.38311	9.6
70.59137	2.1
71.01353	5.5
73.02939	3.1
109.06603	10.3
113.02433	3.1
131.51968	2.1
137.09749	2.3
155.10791	2.8
163.11264	6.4
171.10271	14.5
181.08693	5.7
189.09183	3.3
199.09740	37.3
207.10252	47.6
225.11339	35.4
235.08215	3.5
253.09323	18.6
277.21698	100.0
278.22046	5.5
417.17487	2.6
435.18668	12.0
439.89731	2.3
441.30179	4.5
443.18976	13.0
461.20178	15.5
491.32501	2.4
598.14124	2.9
695.40063	73.2
696.40375	9.1
703.40155	4.4
721.41675	50.1
722.42108	6.9
732.95129	3.0
739.43286	3.8
774.34216	2.3
775.40137	19.6
776.41022	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	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35754	2.9
59.01371	3.7
61.98823	10.4
68.34554	2.9
70.92542	3.5
70.92881	3.5
71.01375	9.4
83.04974	4.4
96.96024	3.1
171.10268	5.8
209.11824	81.4
223.13437	4.9
227.12874	27.7
234.81010	3.0
235.08145	4.1
251.90825	3.0
253.09270	28.5
275.20215	9.8
293.21237	100.0
294.21521	4.0
304.24960	3.1
445.20813	7.9
446.88382	3.2
529.30005	7.9
775.40570	56.1
776.40356	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	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98820	10.6
66.50935	1.9
69.69177	3.9
69.69569	4.1
71.01376	4.6
83.05032	2.7
96.96008	7.6
98.21887	2.4
98.95584	3.0
101.02438	2.9
111.17235	1.7
113.02493	1.8
140.23451	2.2
145.16776	1.9
149.64063	2.1
171.10268	5.3
191.05615	2.3
203.26315	2.3
209.11823	100.0
210.12112	7.5
227.12909	23.3
235.08192	6.6
236.70442	1.9
246.21690	2.1
253.09346	14.2
275.20215	4.7
293.21210	57.7
306.46951	2.0
326.64502	2.2
435.89871	2.2
445.20596	10.8
463.21866	2.3
739.40210	2.9
775.40228	39.9
776.40826	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	775.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
71.01371	0.4
78.95897	3.3
79.95733	3.0
81.95294	0.1
85.02967	0.1
87.63371	0.1
89.02442	0.4
93.03468	0.1
94.98072	0.3
95.97601	0.1
96.96008	100.0
96.96893	4.4
97.95935	0.3
101.02428	0.2
113.02422	0.1
119.03546	0.2
137.02419	0.2
165.01930	1.0
166.02252	0.1
173.04501	0.2
179.03455	0.2
179.05634	0.1
180.04289	0.6
191.05644	0.2
195.06610	0.8
209.97141	0.1
225.07684	0.4
252.37065	0.1
285.43832	0.1
324.10187	0.1
727.25922	0.2
775.28296	0.2
775.46606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95934	1.9
57.70412	1.9
61.98832	2.5
63.76410	2.0
71.01379	4.1
71.39257	2.9
83.05015	2.8
89.78130	2.3
102.65805	2.0
106.42995	2.1
118.60140	2.1
167.42889	1.8
171.55325	2.2
202.28473	2.4
209.11819	66.8
210.12242	2.2
227.12796	4.9
235.08197	6.0
253.09337	4.8
255.23286	100.0
256.23563	5.4
320.19916	2.3
378.63400	2.2
423.09064	2.9
491.32379	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	777.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27666	0.7
59.01366	1.0
62.27317	0.6
69.43372	2.9
71.01363	0.9
79.92941	0.7
82.28513	0.6
85.02915	0.9
93.03453	1.0
106.04241	0.8
112.00671	0.7
113.02428	0.9
115.04021	0.8
119.05018	0.9
121.02959	4.3
133.02945	1.9
134.03740	47.7
135.04076	1.0
137.02432	5.2
137.06055	1.2
139.04016	2.1
149.06073	11.8
150.03183	2.9
165.01915	4.7
165.05548	2.5
166.02731	3.3
175.04015	0.6
178.02711	27.3
180.04271	2.3
181.05037	5.9
191.05609	3.7
193.05049	100.0
194.05389	3.0
194.39673	0.7
195.06673	3.8
207.06699	0.8
209.04506	1.5
225.07660	1.5
235.06108	1.3
243.10216	2.3
245.21832	0.6
330.17352	0.6
387.10791	0.9
402.12863	0.9
403.13904	1.4
405.15488	1.6
406.22058	0.8
417.15530	18.9
418.15765	1.0
419.13412	0.8
434.21738	2.4
435.22086	3.1
463.17563	1.3
565.19360	1.0
566.19568	0.6
567.18469	0.8
579.20880	1.7
615.21326	4.8
616.21240	0.9
670.76044	0.7
777.25140	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	777.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03445	1.5
58.00594	0.6
59.01378	62.0
67.01874	0.4
69.03452	11.5
71.01379	34.9
72.99319	1.0
73.02955	3.9
74.96571	0.4
83.01388	2.6
85.02951	9.9
86.67006	0.4
87.00880	2.2
87.04532	0.6
89.02441	33.1
90.02776	0.4
95.01381	2.9
96.96017	1.4
97.02972	0.4
98.00135	0.8
99.00882	1.1
101.02440	22.2
107.05001	0.3
113.02446	41.9
114.02785	0.8
119.03504	14.0
119.04919	0.7
131.03517	1.4
135.04527	0.9
137.09723	1.2
139.04025	0.8
143.03493	2.1
149.04526	0.4
153.09212	0.5
159.03003	1.0
161.04549	3.6
163.04085	0.4
165.05547	0.4
165.29437	0.4
173.04585	0.7
177.01984	0.8
179.05612	6.0
189.12874	0.8
191.05617	1.6
213.60959	0.4
225.14975	1.0
232.53322	0.4
239.11800	0.7
283.10910	1.1
321.73325	0.4
327.09872	0.4
345.11008	0.8
369.19229	0.6
376.44254	0.4
387.00906	0.4
387.20175	3.6
501.14270	0.5
549.25513	100.0
550.25854	8.9
616.15027	0.4
663.28680	23.8
664.29266	3.1
777.31055	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	777.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02625	0.2
59.01377	100.0
60.01723	0.7
67.79103	0.2
68.55605	0.2
71.01380	0.8
71.09966	0.2
75.00867	0.9
84.95078	0.2
85.00441	0.3
85.02955	0.4
87.00881	0.4
93.03448	0.3
101.02419	0.3
103.00463	9.5
103.01491	72.3
104.01822	0.7
113.02448	0.6
139.04021	0.3
143.06313	0.2
159.02873	0.2
170.08305	0.2
171.10284	0.3
173.04530	0.3
191.05510	0.7
209.11832	3.3
210.12076	0.3
227.12775	0.8
253.09152	0.4
318.75229	0.2
368.24030	0.2
637.99323	0.2
663.35223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39558	2.6
59.01373	5.8
61.98812	6.0
69.13348	14.5
70.65688	2.6
71.01394	2.8
71.50267	2.3
84.90123	2.2
89.02468	3.0
96.95977	5.0
111.47319	2.2
127.00967	2.5
199.13463	3.3
201.11317	39.6
209.11819	75.4
219.42783	2.8
223.13380	10.0
227.12941	22.0
235.08180	11.6
242.05016	2.8
253.09325	18.5
277.21738	100.0
278.22101	7.1
293.21210	10.5
307.18668	3.1
314.76968	2.8
399.00479	2.4
419.19202	5.9
437.20135	8.9
443.31287	3.5
445.20648	11.6
463.21664	3.7
499.61844	2.8
513.30579	8.8
697.42004	8.1
705.42950	3.8
723.41840	4.2
777.41791	30.4
778.42584	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	777.42
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.4
61.46138	3.5
61.98820	10.0
71.10188	6.6
80.12466	2.9
80.89516	3.0
96.96013	51.7
98.95604	19.3
99.00826	3.5
116.92757	3.4
143.83015	3.4
195.13902	5.5
209.11818	57.8
227.12816	19.7
228.30534	3.7
253.09259	21.2
277.21780	6.9
293.21198	5.1
295.22763	100.0
355.99167	3.3
436.34006	3.3
442.44702	3.7
445.20804	7.1
487.33875	3.9
777.42249	44.2
778.42084	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	779.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60846	1.1
61.98823	2.2
69.26008	1.2
73.02946	1.5
73.16343	1.2
81.03458	1.1
83.01374	1.4
83.05015	4.9
87.00891	1.7
93.03457	41.8
101.59065	1.2
109.02954	3.1
111.00806	1.2
111.04519	22.0
116.92926	1.4
117.03471	2.9
119.01404	3.1
119.04906	1.4
121.02952	11.3
127.04010	3.3
131.72046	1.2
133.03001	1.3
134.03741	28.8
135.04433	2.5
137.02444	37.3
147.04529	4.3
149.02438	57.0
149.06000	1.8
150.02812	1.6
155.03508	58.2
156.03815	1.5
160.01721	1.7
161.02457	1.3
163.04019	2.3
164.04793	40.4
165.01897	1.9
165.05116	1.3
173.04549	100.0
174.04825	3.3
175.00356	13.4
175.03986	2.3
178.02705	1.8
178.43053	1.2
179.07133	4.5
190.02716	32.2
191.05585	1.2
193.05048	22.2
194.05287	2.4
205.05052	33.9
208.03746	4.1
223.06117	48.0
224.06535	2.1
339.30075	1.3
349.09271	3.2
364.07852	3.1
379.10321	74.3
380.10507	4.6
385.93576	1.3
397.11444	14.8
398.11230	1.3
543.31915	1.5
555.15143	13.4
556.15173	2.1
603.17230	71.9
604.17407	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	779.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.19072	0.3
59.01378	6.4
60.99277	0.6
61.98824	0.6
63.17873	0.3
69.03437	0.3
69.30289	0.3
69.30669	1.8
69.60374	0.3
71.01378	3.8
72.99303	3.7
73.02944	0.5
80.21004	0.3
83.01379	0.4
85.02940	1.5
87.00874	0.4
88.98810	2.0
89.02444	2.4
93.03465	0.6
95.01389	0.5
98.22603	0.7
98.44278	0.4
101.02447	2.0
103.01488	0.4
106.04220	0.5
111.00888	0.4
113.02451	2.7
116.92883	0.6
119.03500	1.0
121.02970	0.5
122.03722	1.9
131.03644	0.3
135.04535	0.4
136.01698	0.5
137.02434	0.3
159.08154	5.1
161.04567	0.5
173.04510	0.3
176.08360	0.7
177.09206	36.4
178.09564	1.0
191.05603	0.9
209.11850	1.4
221.08182	66.0
222.08536	2.1
226.11732	0.4
294.36871	0.4
341.13910	100.0
342.14267	5.2
456.87854	0.5
485.31528	0.5
503.19223	62.7
504.19537	4.1
545.02148	0.4
665.26440	0.4
665.37622	6.6
779.26721	0.7
779.40302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
57.03440	3.0
59.01376	82.0
59.24997	1.4
61.09451	1.5
61.98824	2.0
66.29584	1.4
68.56863	1.6
69.03439	6.2
69.05898	9.9
69.90596	1.4
71.01382	54.0
72.99323	1.7
73.02945	13.1
80.43427	1.6
83.01383	5.4
85.02942	24.6
87.00880	5.1
87.04517	2.1
89.02448	28.8
93.03418	3.7
95.01392	4.3
96.96008	10.3
98.21856	2.4
99.00876	3.5
101.02435	31.4
111.00867	1.8
113.02444	42.3
119.03507	10.9
119.04990	2.4
123.04473	1.5
125.02454	4.8
129.01950	2.1
131.03505	1.8
139.04025	4.9
143.03493	5.5
143.94771	1.5
159.03088	2.4
161.04550	7.3
173.04564	3.2
179.05629	2.6
191.05504	10.6
205.08430	1.4
209.11871	5.9
303.76215	1.7
309.63284	1.6
399.23917	3.4
417.24921	5.8
430.83487	1.5
503.19064	2.0
561.29132	100.0
562.29480	8.2
579.30164	57.3
580.30518	5.9
616.86487	1.6
621.31189	44.5
622.31708	3.8
735.33484	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	779.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
58.00587	0.5
59.01377	36.4
60.99320	0.5
67.01888	0.9
69.03455	23.7
69.52866	1.3
71.01378	18.6
72.99307	0.4
73.02939	1.3
79.01868	0.3
83.01383	0.8
85.02940	3.4
87.00871	1.1
89.02442	21.0
93.03467	6.0
93.98798	0.5
95.01382	1.3
95.05032	0.7
96.96000	0.5
97.02947	31.4
98.03271	0.4
99.00878	0.4
99.04520	0.6
101.02442	9.6
105.03445	2.1
113.02448	7.1
119.03491	6.7
119.05025	0.8
121.02982	1.9
121.06596	1.1
123.03658	0.4
123.04513	8.4
131.03458	0.6
131.04970	0.5
141.01927	1.6
143.03456	1.0
147.04596	0.4
149.04836	0.4
149.06081	11.3
153.05582	0.6
161.04602	1.1
167.03423	0.8
167.07121	4.1
173.04593	0.6
179.05583	2.4
191.05606	1.5
192.49428	0.4
193.05063	25.0
194.05428	0.4
197.04590	1.8
251.13577	0.4
268.15463	2.9
269.15860	1.9
273.07578	0.6
349.11444	0.5
372.20227	7.5
373.11362	100.0
373.20712	3.9
374.11777	3.2
749.78662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
58.00587	0.5
59.01377	36.4
60.99320	0.5
67.01888	0.9
69.03455	23.7
69.52866	1.3
71.01378	18.6
72.99307	0.4
73.02939	1.3
79.01868	0.3
83.01383	0.8
85.02940	3.4
87.00871	1.1
89.02442	21.0
93.03467	6.0
93.98798	0.5
95.01382	1.3
95.05032	0.7
96.96000	0.5
97.02947	31.4
98.03271	0.4
99.00878	0.4
99.04520	0.6
101.02442	9.6
105.03445	2.1
113.02448	7.1
119.03491	6.7
119.05025	0.8
121.02982	1.9
121.06596	1.1
123.03658	0.4
123.04513	8.4
131.03458	0.6
131.04970	0.5
141.01927	1.6
143.03456	1.0
147.04596	0.4
149.04836	0.4
149.06081	11.3
153.05582	0.6
161.04602	1.1
167.03423	0.8
167.07121	4.1
173.04593	0.6
179.05583	2.4
191.05606	1.5
192.49428	0.4
193.05063	25.0
194.05428	0.4
197.04590	1.8
251.13577	0.4
268.15463	2.9
269.15860	1.9
273.07578	0.6
349.11444	0.5
372.20227	7.5
373.11362	100.0
373.20712	3.9
374.11777	3.2
749.78662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.8
61.98840	0.8
66.39049	0.5
68.13663	0.6
68.35152	0.6
78.87773	0.5
102.95676	3.3
103.00385	2.9
103.01493	73.9
161.16409	0.6
161.58734	0.5
202.00885	0.5
204.14331	0.5
763.47467	0.7
766.97235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.54858	0.4
60.27807	0.4
61.98830	1.7
75.00864	0.5
94.60028	0.4
102.95676	2.1
103.01497	75.1
115.44652	0.4
139.40154	0.4
180.15298	0.5
215.02701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
59.01374	13.2
65.86494	0.5
68.42379	0.5
68.99811	1.7
69.03453	1.1
71.01376	10.3
72.99305	2.7
73.02934	1.2
75.00864	10.4
79.73277	0.5
83.01366	1.1
85.02946	10.5
87.00866	4.3
89.02440	5.4
93.03455	0.9
93.34599	0.5
95.01380	2.8
95.85673	0.6
96.96017	1.6
98.22592	1.5
99.00871	5.0
99.08076	0.5
101.02457	1.4
103.00351	1.2
109.02871	0.6
111.00891	0.6
112.01050	0.5
113.02442	11.2
115.00327	1.0
117.01939	1.6
118.52615	0.6
119.03470	0.6
121.02947	43.9
122.03300	1.9
125.02455	7.8
129.01906	0.7
133.02942	0.6
137.02411	1.4
151.03989	1.8
160.04060	2.6
161.02425	0.9
172.79530	0.5
175.02440	1.6
179.05618	2.9
180.05933	0.6
191.05597	2.4
231.05148	3.4
243.02959	0.6
249.06123	31.7
250.06415	1.4
287.05698	0.8
289.07144	2.0
293.08777	1.3
353.08551	1.0
364.10321	1.2
371.09784	100.0
372.10178	8.5
373.10449	2.2
390.22391	0.8
406.22275	1.5
408.23981	1.3
409.09430	0.6
498.27802	0.6
537.07373	1.7
781.15875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24755	0.3
59.01374	3.6
61.98825	2.7
71.01387	2.5
72.99281	0.5
73.02920	0.5
75.00861	0.8
80.02676	0.6
81.03448	1.0
83.01366	0.4
83.05019	3.4
84.02139	0.5
85.02941	0.8
87.00871	0.5
88.98798	0.7
89.02432	2.1
91.73943	0.3
92.44090	0.4
93.03444	0.5
95.05039	0.6
96.96030	0.5
97.10487	0.3
98.22777	0.6
101.02418	1.8
107.05007	0.4
109.06632	0.3
110.08012	0.3
113.02439	1.5
116.92809	0.4
117.92881	0.4
126.94778	0.3
135.08168	0.5
161.04578	1.2
163.11276	3.1
164.89835	0.3
165.12901	2.0
171.10260	0.8
173.04506	0.4
177.09200	0.4
179.05594	0.4
191.05597	0.9
191.10774	0.6
209.11819	100.0
210.12177	2.5
227.10622	0.7
227.12880	15.2
228.13181	0.3
235.08174	2.1
253.09271	4.4
257.17444	0.4
312.79950	0.4
342.14151	0.6
445.20847	6.4
463.22076	0.7
464.21216	0.4
504.19492	0.4
637.32178	1.4
655.32751	0.4
666.38037	1.0
667.38971	0.4
780.37750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.6
71.01376	6.3
78.95903	49.3
85.02986	0.5
85.95231	0.4
87.00875	1.0
89.02449	9.9
96.96052	10.0
96.96960	100.0
101.02448	3.5
111.00821	0.5
113.02454	2.8
119.03485	4.0
131.03490	0.5
143.03549	0.6
179.05585	3.1
226.85989	0.5
313.81366	0.5
341.10861	25.7
342.10953	0.7
439.08560	31.0
542.04437	0.5
689.30322	0.5
771.52026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01730	0.7
61.98835	0.9
72.56058	0.5
75.00880	0.8
81.10474	0.5
85.00513	0.5
96.95992	0.8
102.95659	2.1
103.00370	2.7
103.01498	74.1
104.01847	0.5
121.84315	0.5
130.48306	0.5
231.81882	0.4
275.88300	0.5
293.21088	0.8
333.30563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.47757	0.2
60.01751	0.3
69.09216	0.6
69.09611	1.2
70.63734	0.3
75.00872	1.2
75.71703	0.3
88.07906	0.3
101.02457	0.3
103.00378	6.6
103.01493	89.9
104.01826	0.4
104.03529	0.3
176.56303	0.3
193.75438	0.2
204.28825	0.3
210.62518	0.2
441.52054	0.3
464.69699	0.2
677.49255	1.4
782.99255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.8
61.98829	1.0
66.03486	0.9
72.74096	0.6
77.16495	0.5
80.05033	1.0
82.06614	3.7
84.08182	0.8
87.05664	5.7
88.04004	0.7
94.06624	0.9
94.39216	0.6
97.04044	1.1
98.02472	1.2
112.07690	0.9
113.03578	1.5
117.74816	0.7
118.06594	1.4
121.04060	2.0
127.08794	1.0
129.10342	19.4
130.08737	2.5
131.05078	0.9
139.08766	3.9
140.07199	4.1
141.83401	0.6
146.06094	2.5
148.07698	0.6
153.10298	1.9
155.08272	4.2
155.11891	1.6
157.53970	0.7
164.09537	4.9
165.10309	5.3
167.08214	1.5
167.10571	0.9
180.11351	1.4
182.12984	5.0
183.11397	2.3
195.15048	1.7
197.16585	3.8
199.18138	0.9
200.14044	4.8
207.10104	0.8
207.15007	16.7
208.13309	0.9
208.15247	0.8
209.11812	0.8
214.12428	0.8
223.11888	0.8
224.17673	7.9
225.11241	1.0
225.16096	4.2
241.13510	4.5
242.11847	2.2
242.18719	13.3
259.14490	5.1
268.16879	0.7
268.20300	1.1
276.17072	2.4
277.21542	1.2
294.25562	0.8
295.21344	7.8
310.25034	1.1
312.17172	3.9
313.22339	3.3
329.19717	1.9
330.18063	1.8
337.26031	8.3
339.20593	0.8
347.20807	0.9
355.27026	2.5
370.58157	0.9
371.24313	1.0
423.33301	0.7
539.39069	4.6
559.35638	0.7
573.37714	4.5
599.45880	0.7
606.02393	0.6
615.41803	1.2
747.65204	0.8
782.51813	100.0
783.52240	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	783.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71341	0.6
55.01872	1.9
57.03437	2.4
59.01376	100.0
61.98837	1.1
69.03455	2.5
69.53748	1.1
69.54110	1.5
71.01379	47.6
73.02943	15.9
75.00874	1.2
83.01387	5.3
85.02943	20.0
87.00890	1.4
88.34483	0.7
89.02443	8.9
93.03458	2.0
95.01378	4.1
96.96033	1.1
97.02934	1.3
98.22674	1.1
99.00882	4.9
101.02440	30.7
106.04220	3.9
107.05026	56.2
108.02193	0.6
108.05351	0.9
113.02448	25.7
116.92878	1.0
118.30290	0.7
119.03495	2.0
121.02952	1.5
123.04515	0.8
125.02480	1.0
129.01923	0.7
135.04541	0.9
143.03465	2.0
143.04599	0.6
151.04002	78.8
152.04350	1.5
159.02968	5.4
161.04550	39.5
163.03987	0.7
179.05608	2.4
181.05078	1.4
191.05649	3.2
210.39682	0.6
245.09291	1.0
269.10278	8.3
311.11337	6.0
313.09277	85.6
314.09521	3.1
417.15244	1.3
427.12424	23.2
507.92630	0.7
595.42737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.6
61.68097	0.5
61.98816	1.8
69.44449	2.1
71.01391	2.3
73.02969	0.9
80.02671	0.8
81.03454	0.9
83.01405	0.5
83.05040	3.4
84.02146	0.6
85.02940	0.8
87.00898	0.5
89.02437	1.8
101.02437	2.1
113.02459	1.1
119.03510	0.5
133.05014	0.5
145.05043	0.6
161.04556	1.8
163.11343	2.3
165.12852	1.1
191.10744	0.7
209.11818	75.5
210.12198	1.7
221.92093	0.5
227.12877	10.8
235.08202	6.6
240.31815	0.5
253.09280	9.9
277.21707	100.0
278.22119	3.2
445.20755	1.1
454.76895	0.6
513.30640	1.2
783.40662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
63.06129	0.4
71.01373	0.9
86.36585	0.4
93.03461	0.7
101.02461	0.5
109.02923	1.1
109.63521	0.5
113.02514	0.6
121.02991	0.7
125.57642	0.5
136.01686	0.5
137.02452	3.1
142.47809	0.5
151.00365	6.0
152.01054	0.7
152.04787	1.0
161.04579	0.9
166.02708	28.4
167.03198	1.0
173.04517	1.0
177.01909	1.4
181.05060	46.7
182.05388	1.8
190.06319	0.7
191.05583	2.0
193.05061	0.9
205.08662	0.9
207.06790	0.6
303.43393	0.5
359.11368	0.7
387.10880	5.8
388.11252	0.7
402.13150	7.5
417.15540	100.0
418.15866	10.3
508.83127	0.6
578.19952	0.9
579.20685	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	784.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75827	0.2
59.01372	0.4
61.98828	100.0
64.74480	0.2
66.61217	0.2
79.95757	0.5
80.96502	2.0
89.33552	0.2
94.98106	0.4
104.37176	0.2
123.23043	0.3
151.70787	0.2
205.52147	0.3
209.11790	1.8
210.12227	0.8
225.00829	0.4
227.12955	0.5
243.75916	0.3
244.19931	0.2
267.23441	0.4
277.21646	1.9
278.22165	0.9
361.80548	0.3
384.17810	0.3
784.42126	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	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.99254	0.3
75.87338	0.1
79.95733	0.3
80.96528	1.0
94.94991	0.2
94.98101	0.2
116.92847	0.2
133.35892	0.1
164.98679	0.2
196.64867	0.1
225.00885	0.2
226.01218	0.1
277.21820	0.3
279.23343	0.1
359.80005	0.1
469.12009	0.2
784.42328	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	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98512	0.2
63.99254	0.3
71.41357	0.2
79.95731	0.3
80.96510	1.6
94.98087	0.3
99.92567	0.2
100.00903	0.1
105.37372	0.1
109.28587	0.1
116.92844	0.8
119.82110	0.1
131.18892	0.1
140.49744	0.1
153.94356	0.1
164.98579	0.2
168.59779	0.1
177.57237	0.1
182.27039	0.1
209.11913	0.2
225.00679	0.3
279.23276	0.1
784.42169	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	785.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.6
96.95982	1.0
108.90193	3.4
112.40871	0.9
120.02172	4.7
121.02956	100.0
122.03309	1.2
151.06532	0.9
152.25833	1.0
165.01923	2.1
181.06590	3.1
191.03418	2.4
209.04547	73.9
210.04851	1.8
211.66991	0.8
225.05576	2.3
242.62859	1.0
278.59454	0.9
313.07306	4.6
347.69205	0.9
357.06155	1.9
357.54413	0.8
387.33490	0.9
401.08740	12.0
432.58847	0.9
785.17096	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	785.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01378	11.7
62.00153	0.5
64.92464	0.4
67.01894	0.6
68.99790	1.5
69.03468	1.8
71.01385	7.9
72.99310	2.6
73.02922	1.7
75.00474	0.7
75.00874	8.9
78.95897	1.1
81.03426	0.6
83.01369	0.6
85.02453	0.9
85.02946	11.0
87.00883	3.0
89.02454	2.9
93.03459	14.7
95.01385	2.2
96.24308	0.5
96.95961	0.5
96.96944	1.0
99.00865	4.7
101.02455	1.1
103.00364	1.5
109.02903	0.8
111.00874	0.9
111.04515	1.0
113.01701	1.0
113.02449	13.3
115.00378	1.2
117.01931	1.9
121.02953	45.7
122.03300	1.0
129.01933	0.8
129.05580	0.6
133.02969	0.9
135.04570	0.8
137.02440	37.0
137.06021	0.8
138.02814	0.6
139.04063	0.6
143.03549	0.7
161.04524	1.2
164.07217	1.4
173.04466	1.0
175.02513	1.0
179.05638	1.2
189.03972	0.9
191.05630	3.3
197.04501	0.7
206.08211	2.0
231.05087	2.4
249.06149	33.1
250.06488	0.6
265.12888	0.6
291.10956	0.9
299.07733	6.8
353.08832	1.3
360.47800	0.5
371.09796	100.0
372.10184	3.9
449.19519	0.6
563.47656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03436	1.4
59.01377	12.5
67.01884	0.8
68.99797	1.3
69.03465	0.7
69.24722	2.4
71.01377	10.4
72.99307	2.8
73.02937	1.7
75.00471	0.8
75.00870	9.4
81.03416	0.7
83.01388	0.8
83.05023	0.7
85.02457	1.0
85.02947	12.4
87.00873	2.3
89.02424	2.5
91.04023	0.6
93.03452	17.8
95.01382	2.8
98.21829	0.8
99.00869	5.6
101.02453	1.6
103.00348	1.5
109.02991	0.6
111.04512	0.8
111.47145	0.5
113.02449	15.1
115.00364	1.3
116.92836	0.7
117.01936	2.0
117.95658	0.5
121.02950	51.0
122.03291	0.7
127.04053	0.4
127.30445	0.4
129.01924	0.9
129.05612	0.7
133.02939	0.8
134.03687	0.5
135.04543	0.5
137.02441	33.3
137.06042	0.9
137.16054	0.4
151.03998	0.5
161.04527	0.9
173.04530	0.8
175.02487	1.1
175.57895	0.5
189.04037	0.9
191.05608	4.7
231.05078	3.0
249.06134	32.9
250.06519	0.9
251.11226	0.7
291.10910	1.1
299.07739	6.8
299.11099	0.8
337.09592	0.7
365.14645	0.5
371.09799	100.0
372.10135	4.2
463.02170	0.6
490.27023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95553	1.7
55.73247	1.9
59.01377	27.2
61.98831	81.5
63.75343	1.9
69.03444	1.8
71.01387	14.6
73.02946	6.1
78.91880	4.0
79.95721	4.8
82.95415	2.7
83.01383	2.9
85.02943	7.8
88.98785	2.6
89.02453	7.0
93.03461	5.5
95.01400	3.5
96.96011	100.0
98.21831	3.3
101.02446	8.7
106.06610	4.2
109.02979	2.3
112.29253	2.5
113.02458	7.5
122.06100	3.5
132.04601	3.1
134.06114	25.7
135.04541	2.1
138.92337	2.2
141.24689	2.6
143.53947	2.2
152.07138	4.4
160.04022	2.8
173.04605	5.1
190.05060	2.6
191.05560	10.8
209.11749	7.0
210.81424	2.0
213.10376	5.6
225.10391	2.2
239.11986	2.3
267.11270	5.8
285.12592	3.2
292.72394	2.3
305.09338	3.9
316.14499	3.9
337.11713	2.8
340.14478	8.8
358.15564	3.7
366.12521	3.5
368.13815	2.8
370.88797	2.0
384.13449	6.5
397.14194	2.6
398.15073	8.2
410.15540	2.4
412.16360	3.7
426.05991	2.3
459.18842	2.1
479.02979	2.1
503.21564	2.1
505.22430	2.2
515.14502	5.6
520.48901	2.4
569.16083	2.1
573.21460	2.9
591.22803	3.7
611.83923	2.5
705.22961	2.2
712.27795	4.2
753.27698	49.0
785.30145	59.9
786.30750	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	785.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
59.01377	28.7
61.98829	27.4
65.61620	1.0
69.07954	1.5
69.08348	5.4
71.01382	20.6
73.02949	7.9
74.45629	1.0
78.91874	3.8
80.05057	4.1
83.01369	3.3
85.02948	9.9
87.00871	2.0
89.02441	6.5
92.05056	1.2
96.10426	1.0
96.96005	2.3
97.02946	1.1
99.00846	1.8
101.02428	8.1
103.03580	1.0
106.06635	8.7
108.04562	1.3
113.02431	6.8
122.06149	5.2
130.44867	1.3
132.04555	5.8
134.06122	48.9
146.06197	1.2
152.07178	6.2
158.02466	3.5
158.05937	1.4
160.03996	5.1
190.05080	6.0
191.05571	1.3
192.06618	2.7
209.11832	21.1
210.12132	8.9
213.10307	12.1
217.21056	1.0
225.10371	3.5
227.12227	2.4
228.13118	1.1
235.08577	1.4
239.11858	3.5
241.13492	1.3
247.08920	1.8
249.10213	1.3
251.12016	2.2
263.08118	1.5
265.09698	2.7
267.11340	10.5
277.06427	1.2
277.09814	3.5
278.10532	1.7
279.11346	1.8
285.12457	6.0
291.07797	1.5
291.11288	1.2
296.11429	1.3
305.09390	5.5
307.10742	1.3
313.13229	1.5
316.14636	8.5
324.11331	2.6
327.13519	7.8
328.10880	3.0
328.14545	2.5
330.12234	1.6
337.11877	3.9
340.10803	1.6
340.14529	16.2
342.12344	3.4
343.13306	1.5
344.13980	2.5
354.12347	1.8
355.13104	1.2
356.13943	5.7
357.14951	1.4
358.15344	5.9
368.10281	3.1
368.14169	1.9
369.11084	1.5
370.15652	3.5
372.13174	1.8
372.17300	1.6
381.11469	1.3
382.11462	1.9
382.15814	2.5
383.12537	3.0
384.13422	12.7
384.17679	2.0
385.13995	1.7
394.15964	1.7
396.13434	4.2
397.14056	2.9
398.14886	11.3
400.16690	3.2
410.14999	5.1
411.15427	1.4
412.16782	6.8
426.14459	4.4
438.14505	4.7
444.15866	1.5
456.15179	1.5
489.19119	1.3
503.20624	1.9
505.22824	1.7
506.22504	1.2
531.20721	2.3
545.22021	2.0
573.21436	4.9
591.22333	4.3
592.22980	2.7
623.25385	2.1
685.28149	2.3
707.27692	1.1
709.28992	1.3
711.26721	4.4
712.27704	4.2
725.28119	3.0
753.27698	96.3
754.28326	16.3
757.30212	1.3
785.30310	100.0
786.30731	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	785.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98771	1.6
55.01882	2.0
55.46162	1.5
57.03431	1.8
59.01381	15.8
60.20371	1.5
61.98829	14.1
69.03461	6.3
71.01374	15.7
71.05022	2.2
73.02935	3.1
81.03486	1.5
82.95419	4.4
83.01403	1.7
83.05022	3.9
85.02950	3.3
87.00882	3.8
89.02429	5.7
92.92788	1.9
93.03474	2.2
96.96010	14.5
97.02954	2.3
97.06605	3.6
98.21888	3.9
101.02434	6.6
102.72395	1.8
109.06594	2.8
112.98560	2.1
113.02456	5.8
116.92870	2.5
123.08134	2.1
125.09724	6.3
127.07679	3.1
136.05203	2.0
139.04005	3.2
148.48953	1.7
149.74783	1.5
150.77060	1.8
151.11240	2.7
151.50586	1.8
153.09189	2.5
161.04552	2.5
161.09717	6.3
163.11264	2.5
164.90451	1.7
165.12778	1.9
171.10262	6.6
173.04553	3.5
176.71208	1.5
179.05571	1.8
179.10803	9.4
185.11838	5.8
191.05617	5.3
197.11823	82.4
198.12251	2.1
207.10313	5.8
209.11807	26.0
223.09862	2.3
225.11285	6.5
241.10796	4.4
253.09258	3.5
289.18134	4.2
307.19089	8.9
325.20206	2.5
477.19888	5.4
623.25092	2.1
627.37384	2.2
767.38513	5.4
785.39673	100.0
786.40137	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	785.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01380	11.2
61.98824	7.9
69.03449	6.1
70.95448	1.2
71.01382	8.5
71.05009	4.1
73.02937	2.2
82.95408	2.5
83.01369	1.7
83.05006	2.2
85.02927	2.3
87.00865	2.2
89.02432	5.1
93.03472	2.4
95.05054	1.4
96.96011	13.6
97.02924	1.6
97.06577	2.7
101.02435	8.4
101.50089	1.2
109.06627	6.6
111.06753	1.4
113.02401	2.2
116.92889	1.2
125.09693	4.7
128.90178	1.2
135.04494	1.2
151.11252	3.5
153.12892	1.6
161.02592	1.3
161.04385	1.2
161.09708	3.4
169.12263	2.0
171.10312	1.4
173.04597	1.7
173.52937	1.2
179.10689	8.2
181.12329	1.7
185.11795	1.1
190.68660	1.1
191.05573	4.4
197.11827	100.0
198.12166	2.2
199.13400	2.3
207.10216	2.9
209.11824	5.1
211.13402	6.6
213.75171	1.3
223.09735	4.3
224.12654	1.1
225.11328	2.2
241.10812	4.6
253.09181	4.4
275.25165	1.3
325.20172	5.1
343.21173	4.5
459.18658	3.1
477.19870	1.9
533.88025	1.2
544.73773	1.2
589.23297	1.2
785.39600	99.4
786.39868	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	785.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
67.07441	0.3
67.94598	0.3
71.44099	0.3
78.51231	0.3
89.02441	0.6
91.03987	2.0
109.92467	0.3
117.41859	0.3
125.09685	0.6
129.15665	0.3
141.12819	0.8
171.10257	18.7
183.61902	0.4
195.13887	0.9
226.07471	0.4
233.22746	0.4
277.21704	27.0
278.22083	1.6
279.26913	0.8
295.22751	100.0
296.23059	5.0
323.25903	0.8
324.04230	0.3
341.26904	1.0
397.29538	1.9
415.30438	1.6
680.56177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.8
61.98830	100.0
69.06595	0.1
71.01389	0.5
73.02962	0.2
78.95888	0.2
85.02956	0.2
87.00880	0.2
89.02441	0.3
93.03485	0.2
96.96038	0.6
100.11042	0.1
101.02454	0.2
110.02862	0.1
113.02476	0.4
119.03558	0.1
122.06139	0.3
127.62704	0.1
134.06148	0.4
135.04549	0.3
161.09749	0.1
165.05676	0.1
169.26997	0.1
173.04648	0.2
191.05594	0.7
197.04681	0.2
209.11923	0.3
279.11484	0.2
353.17972	0.1
384.47763	0.1
559.27777	0.4
664.25232	0.4
755.29608	0.8
786.40662	0.6
787.32654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
72.19586	0.1
80.96497	0.2
84.50633	0.1
87.65633	0.1
92.38191	0.1
201.11409	0.2
209.11794	0.5
210.12253	0.1
279.23416	0.7
287.83978	0.1
517.66052	0.1
628.47119	0.1
786.49908	0.1
787.39502	0.2
788.74652	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.62238	0.1
61.98828	100.0
62.98524	0.1
69.14836	0.2
69.15240	0.5
98.21888	0.2
107.42284	0.1
112.27194	0.1
183.14120	0.1
201.11304	0.1
209.11942	0.4
238.26869	0.1
253.09421	0.1
277.21835	0.4
278.22244	0.2
279.23187	0.4
746.14484	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	787.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
59.01374	24.8
61.98826	92.5
62.98529	1.0
66.90074	0.9
69.32534	0.9
71.01376	18.1
71.84876	0.8
73.02926	5.7
78.91896	1.6
79.95673	1.0
83.01357	1.0
85.02945	6.7
85.90623	0.8
87.00858	2.8
89.02426	7.5
93.03456	1.4
94.03765	1.2
94.06612	1.0
95.01369	2.2
96.96021	10.9
98.22975	1.0
99.00851	1.7
101.02428	9.1
106.06599	6.3
107.03773	1.9
107.05072	1.0
108.04501	1.3
109.02972	1.2
113.02422	8.8
113.22348	1.1
119.03468	2.3
120.08162	3.1
122.06121	20.7
126.76582	1.0
132.04526	2.1
134.06119	38.3
135.04494	2.4
139.03938	1.5
146.06076	1.0
147.60905	1.0
148.07663	2.2
150.05609	1.7
150.06833	1.7
152.07188	6.8
158.02448	3.4
160.03978	2.2
161.04579	1.1
179.05582	1.0
190.05086	7.1
191.05579	4.8
192.06665	1.4
197.10902	1.1
209.11813	1.7
221.10829	6.4
223.08704	2.6
224.09535	1.9
225.10330	2.7
234.07944	1.6
235.08600	1.7
235.48276	1.0
236.09460	1.3
237.10287	3.7
239.11800	4.8
248.09642	1.5
249.06688	1.4
249.10219	6.0
251.08232	2.3
251.11943	4.7
261.10272	2.8
263.08209	5.0
263.11884	1.7
264.09006	7.8
265.09802	6.5
269.12973	2.2
275.08301	1.2
276.08887	2.4
277.09827	9.6
278.10434	3.1
279.11359	13.3
280.11758	1.4
289.09799	1.5
290.10281	1.6
291.11343	7.3
295.10825	1.1
296.11484	1.3
305.09320	16.0
305.12628	1.1
307.10852	1.4
309.08871	1.4
314.12677	1.5
317.09283	3.1
323.10361	4.2
329.14716	1.6
337.11768	4.6
342.16187	5.1
355.13040	1.2
356.13562	1.3
358.15436	1.5
370.15472	1.4
372.17279	1.9
384.17014	2.1
386.14926	2.3
400.16611	1.3
410.14999	1.1
412.16583	2.4
426.18280	3.6
428.16013	1.8
430.17532	1.5
440.16263	1.4
452.16110	2.3
470.16940	2.0
471.17761	1.1
472.18631	3.6
473.19363	1.2
490.19925	1.3
511.36435	1.1
575.23193	1.9
588.22711	1.5
592.22290	1.4
593.24158	3.0
604.22797	1.5
625.26093	1.5
632.22394	8.6
633.22906	1.8
664.25079	100.0
665.25366	13.1
667.28253	1.2
713.28326	6.1
714.28711	2.1
743.37091	1.1
755.29285	29.2
756.29291	5.0
787.31854	55.8
788.32111	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	787.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35396	14.4
59.01364	25.0
59.22713	17.0
61.98821	73.3
66.51585	15.1
71.01383	58.8
109.06586	18.7
191.05586	36.2
207.10222	100.0
209.11830	56.9
225.11313	41.3
289.17996	25.5
307.19180	26.7
378.99503	20.6
446.19949	23.0
733.37885	30.6
751.38776	40.4
787.37445	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	788.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.07474	0.8
57.82736	0.8
59.01378	50.8
61.98824	0.8
69.03452	1.1
69.21267	0.7
71.01378	19.8
71.01771	1.0
71.05765	1.4
73.02944	30.9
78.29166	0.7
78.42704	0.8
83.01391	6.0
85.02933	4.9
87.00898	1.0
89.02438	8.6
91.17294	0.8
92.05043	1.1
95.01382	1.9
99.00863	1.6
101.02439	18.7
106.06618	7.4
110.02444	1.2
112.04034	3.0
113.02434	8.1
116.05065	8.9
119.03511	6.0
121.02929	1.9
122.06101	5.0
123.03249	5.4
124.04061	5.2
131.03548	1.4
132.04552	5.3
134.06119	69.9
134.89113	1.0
135.06448	1.7
138.05603	15.6
143.03450	1.5
144.04478	1.3
146.06126	1.4
152.07170	9.5
158.02512	3.8
160.04030	30.8
161.04503	2.5
164.07146	6.9
172.03987	1.9
173.04448	0.9
176.07127	1.0
177.01900	6.0
184.06070	2.8
190.05089	16.6
191.05548	2.4
192.06653	100.0
193.06982	2.8
200.07216	1.4
204.06694	7.9
237.10379	1.1
238.39842	0.8
255.11374	3.6
267.11353	2.8
272.09277	1.3
273.13831	0.9
277.09747	1.3
279.11423	1.8
281.09241	3.4
285.04062	1.1
293.09247	2.6
296.11481	5.8
305.09262	2.1
307.10971	7.1
309.08676	0.8
311.14011	2.2
314.12408	9.6
337.11938	3.2
339.07040	2.7
339.13446	32.4
340.13654	2.4
356.13461	2.4
357.14493	1.6
420.93274	0.9
487.17004	1.6
501.18631	6.3
519.19806	9.6
529.18304	21.6
530.18365	2.9
533.21246	0.9
559.19684	4.2
561.20862	87.4
562.21277	8.9
624.25616	3.3
650.23669	6.5
668.24652	20.2
669.23694	4.1
682.25958	3.5
694.22510	1.8
700.26868	2.1
702.25104	1.6
712.12469	0.6
712.23547	24.3
713.23694	3.0
726.24872	7.6
744.26172	31.1
745.26776	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	788.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	49.8
71.01379	25.3
73.02946	35.3
73.03360	2.1
83.01385	4.7
85.02940	7.9
89.02437	13.7
93.87674	1.4
99.00874	1.9
101.02445	22.3
106.06634	5.2
110.02435	1.3
112.04051	2.6
113.02457	10.6
114.74174	1.5
115.07664	5.7
116.05063	8.3
119.03518	5.8
121.57082	1.3
122.06142	4.8
123.03298	6.6
124.04044	4.4
125.26125	1.4
131.03668	1.5
132.04536	6.0
134.06119	85.4
138.05612	15.4
152.07184	7.5
158.02480	6.1
160.04037	32.5
161.04492	2.2
164.07158	7.5
172.04005	2.1
173.04616	1.9
177.02007	1.9
190.05121	17.9
191.05594	3.0
192.06660	100.0
193.07019	3.1
204.06699	6.6
218.08315	1.9
228.06660	2.0
249.06226	1.9
255.11336	4.0
267.11362	2.0
269.32809	1.4
279.11423	2.1
281.09335	3.7
292.93250	1.5
296.11456	4.2
307.10886	8.9
311.14017	3.7
313.12033	1.6
314.12424	5.7
337.11954	2.9
339.13446	30.8
340.13699	1.6
356.13489	1.9
357.14359	1.8
365.14410	7.5
366.14719	2.6
396.97333	1.3
438.18753	1.4
501.18625	6.5
502.19116	1.5
519.19751	10.5
529.18274	28.2
530.18866	1.6
552.76343	1.7
559.19305	5.2
561.20898	86.2
562.21307	7.7
624.25958	2.5
650.23468	5.8
668.24573	21.4
669.24500	4.2
682.26215	4.1
700.27338	3.2
702.25000	2.3
712.23480	22.7
713.23981	3.3
726.24701	8.0
744.26178	34.1
745.26483	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	788.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
58.02975	1.7
59.01378	48.3
61.03846	0.8
66.25463	0.9
69.03411	1.0
70.02981	1.4
71.01382	24.2
73.02945	36.5
74.02477	6.7
83.01395	7.2
85.02962	5.7
87.00865	1.1
89.02448	11.3
90.42213	0.8
91.40270	0.8
95.01392	2.0
98.02464	1.4
99.00866	1.6
101.02451	20.9
104.05028	1.3
106.06620	6.9
110.02480	1.0
112.04073	2.7
113.02444	12.9
116.03558	1.3
116.05070	15.5
119.03529	4.7
119.05011	1.5
122.06144	5.7
123.03263	6.8
124.04050	3.6
131.03636	1.9
132.04572	8.3
134.06123	76.3
135.06503	1.6
138.05612	15.1
140.07132	1.4
142.06683	1.1
152.07179	8.5
152.59593	0.8
153.01898	0.8
158.02455	4.3
160.04041	40.2
161.04544	3.4
162.05641	1.0
164.07191	6.5
166.05093	0.9
170.57288	0.9
172.04066	4.7
173.04628	1.1
176.03545	1.1
179.05605	1.0
184.06148	1.7
190.05077	18.7
191.05595	4.8
192.06657	100.0
193.06985	3.4
200.07172	1.1
203.08261	8.9
204.06642	5.8
228.06815	1.2
228.10422	1.3
228.43173	0.9
237.10347	1.0
245.09329	18.7
251.08286	0.8
253.09805	1.3
255.11378	5.8
256.09491	1.0
263.08292	1.1
265.09796	1.0
266.06973	1.8
267.11374	3.1
277.84326	0.9
279.11172	1.9
281.09317	7.1
292.08548	1.0
293.09308	3.4
296.11331	8.4
299.10501	0.9
305.09381	1.9
307.10876	8.7
309.08774	1.2
311.14047	3.7
314.12488	8.0
337.12064	1.9
339.13495	31.9
339.17615	1.6
340.13715	2.1
356.13403	1.2
357.14105	1.6
487.17206	2.9
501.18726	8.2
519.19751	8.5
529.18268	46.2
530.18689	3.2
559.19379	8.2
561.20874	90.7
562.21185	8.3
579.63702	0.9
624.25519	3.7
650.23749	12.5
651.23187	1.8
668.24597	31.9
669.24207	5.1
672.24036	1.4
682.25867	3.0
694.23010	1.9
700.27509	2.1
702.25598	1.4
712.23560	22.3
713.23737	2.9
726.25226	10.8
727.25604	1.4
744.26123	31.3
745.26477	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	789.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11588	0.3
57.13287	0.3
59.01376	4.1
61.98845	1.5
69.70187	0.3
69.70536	1.1
71.01373	1.8
73.02946	1.6
75.00832	0.4
82.95412	3.2
84.95112	6.0
85.00435	8.3
85.02955	0.6
89.02448	0.6
96.96011	2.4
98.21875	0.3
99.00869	0.8
99.92585	10.1
100.92616	0.3
101.02438	1.1
113.02430	0.9
114.93385	0.5
116.92859	100.0
117.01925	0.9
117.92856	2.9
119.03524	0.4
119.63786	0.3
121.98161	0.3
125.02443	0.3
171.10257	1.0
175.85228	0.3
176.44083	0.3
181.12328	0.3
191.05614	0.3
201.11349	0.9
207.10358	1.0
209.11803	3.1
211.41638	0.4
225.11331	1.0
227.12949	0.6
253.09349	0.6
266.31717	0.3
275.20224	0.7
284.91327	0.4
325.20001	0.4
342.23550	0.4
433.14957	0.3
455.26508	0.4
497.27536	3.8
770.05554	0.4
788.41882	0.5
789.42468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
57.03424	3.6
59.01379	54.5
61.98820	7.3
64.38712	1.7
68.99555	2.8
69.03452	7.8
71.01378	44.3
72.63221	1.6
73.02940	11.0
80.02659	1.9
82.95412	30.3
83.01389	5.6
83.05028	4.9
84.28748	1.6
84.95142	1.7
85.00442	1.8
85.02941	18.9
87.00860	3.8
87.04509	2.0
88.29897	1.7
89.02442	21.6
89.02957	2.8
93.03443	2.4
95.01379	5.0
95.04997	1.9
96.96017	13.8
97.06631	2.1
98.21899	5.9
98.95561	1.8
99.00864	4.7
99.92600	3.5
101.02433	23.2
104.99006	1.9
112.98551	2.9
113.02449	38.0
114.93399	23.0
115.03991	2.1
115.92094	1.9
116.92835	12.2
117.92844	2.3
118.12035	1.7
119.03525	8.3
125.02444	2.1
127.03978	2.0
131.57719	1.5
139.03970	2.6
139.07666	2.2
159.02916	3.4
161.04620	8.6
161.05690	1.5
163.03961	2.0
163.11308	4.7
171.10266	7.9
179.05615	5.5
191.05560	7.4
201.11368	3.3
202.04092	1.8
207.10121	2.7
209.11809	57.0
210.12108	2.1
211.13377	2.7
225.11319	3.7
227.12881	6.6
229.14490	3.6
235.08240	6.7
243.41362	2.0
253.09251	12.3
325.20184	2.6
327.21722	5.1
343.21201	23.2
363.20212	6.5
399.23526	3.1
437.50790	1.8
561.29120	100.0
562.29236	8.9
671.33612	2.3
675.31830	13.8
753.22290	2.4
789.37274	2.5
789.44586	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	789.356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.7
59.01377	100.0
60.22181	1.5
61.98840	8.9
66.95904	2.3
69.03455	9.8
71.01379	53.1
71.84583	1.4
73.02928	5.1
81.55608	1.5
82.95413	50.1
83.01391	2.4
84.95120	3.5
85.00423	2.5
85.02950	9.9
87.00863	3.5
89.02441	55.9
93.03433	2.2
95.01393	4.5
96.96040	7.9
99.00898	2.1
99.92544	1.9
101.02441	30.9
109.06590	2.1
113.01710	3.0
113.02444	39.3
114.93432	2.7
116.92867	18.3
119.03493	22.7
131.03499	4.8
135.04518	1.8
143.03481	4.1
149.04578	2.2
161.04570	7.5
163.11256	2.2
165.12865	1.7
171.10214	5.9
179.05585	26.2
181.12357	3.4
191.05542	3.4
192.78258	1.7
197.11871	3.2
199.13345	3.4
201.11324	13.4
207.10271	4.1
209.11836	32.5
210.12190	1.6
211.13414	3.3
221.92342	1.7
225.11313	6.6
227.12877	5.2
253.09207	5.3
307.19122	2.7
325.20108	5.2
327.21664	4.4
343.20911	2.1
376.89392	1.6
399.23956	1.6
437.20541	2.2
445.20877	2.0
497.27420	3.5
561.29132	91.5
562.29822	9.6
675.31885	14.4
689.27679	1.6
789.43378	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	789.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
56.70958	0.4
57.03446	1.2
58.00585	0.8
59.01378	67.7
60.01697	0.6
61.98834	0.8
69.03455	7.1
69.20623	1.1
69.21031	1.5
71.01380	33.4
72.99301	1.1
73.02956	2.2
82.95422	1.2
83.01414	1.2
83.05032	0.7
85.02956	8.6
87.00877	1.2
89.02441	36.7
95.01384	2.6
96.96032	2.3
98.00140	0.5
99.00893	1.7
101.02437	19.4
109.66616	0.5
113.02444	32.9
114.02779	0.5
116.92870	0.8
119.03502	15.7
125.02487	0.6
129.01941	0.6
131.03539	2.3
139.60651	0.6
143.03481	2.5
143.50470	0.5
146.29840	0.5
149.04533	1.4
153.05484	0.5
161.04553	3.9
171.10199	1.1
179.05595	9.0
191.05585	0.9
201.11211	0.6
209.11821	5.4
211.93958	0.6
235.08221	0.7
253.09290	0.9
261.63831	0.6
327.21585	0.8
343.21384	2.2
399.23853	1.5
561.29114	100.0
562.29541	7.4
568.95172	0.5
675.32098	7.6
789.36224	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	789.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53907	3.0
59.01369	5.4
61.98825	25.3
69.66002	10.8
71.01387	6.2
88.52030	2.9
89.02451	3.5
95.82389	3.1
98.21900	4.9
101.02489	4.4
109.06626	7.9
115.01720	3.3
163.11227	5.8
197.11812	6.1
207.10252	38.7
209.11826	100.0
210.12030	5.4
211.13531	4.2
213.58469	3.5
225.11331	18.1
227.12900	15.7
227.50505	3.3
235.08147	6.4
253.09268	22.3
289.18018	23.1
291.19592	3.6
307.19159	27.3
309.20773	29.5
311.22284	9.2
372.90283	3.8
443.19470	4.4
445.20578	4.4
461.20163	7.5
735.40051	5.9
753.40607	23.2
789.38159	50.3
790.39032	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	789.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	7.0
61.98827	64.7
68.99572	93.5
69.03442	17.6
69.34000	20.3
71.01364	15.1
89.02461	5.8
93.57704	4.8
95.95281	5.2
97.02982	6.0
98.22615	9.3
109.06588	14.6
111.08102	5.2
112.04053	9.4
112.98555	100.0
112.99819	7.4
113.02444	31.3
139.05492	4.3
152.58159	4.2
163.11290	9.2
174.62332	4.7
181.12283	4.9
197.11859	23.4
207.10245	64.7
209.11844	20.3
225.11317	23.9
227.12927	12.3
235.08261	8.1
253.09409	28.3
268.24521	4.8
291.19638	12.7
307.19040	10.1
308.69489	4.3
309.20770	70.5
317.79944	4.4
319.36435	4.6
438.66669	4.8
443.19150	9.7
461.20288	9.8
545.29865	7.1
575.27252	5.0
735.39337	8.4
753.40546	50.5
754.40424	7.0
789.39075	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94925	4.3
61.98829	47.5
68.99574	20.0
69.70750	4.8
71.01376	17.2
91.01167	5.1
98.22664	14.8
109.06631	5.8
112.89661	8.2
112.98574	12.0
113.02456	5.1
124.29792	4.8
145.70435	4.9
163.11334	6.4
165.12967	5.7
168.32423	4.3
207.10121	6.2
209.11821	100.0
225.11447	6.4
227.12885	17.7
235.08208	7.4
253.09395	5.8
289.17911	6.2
307.19046	26.7
327.21628	6.7
445.20639	8.2
735.39990	5.4
753.40649	8.9
784.24738	6.6
789.38550	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	789.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66121	4.1
61.98827	100.0
63.83806	4.9
71.01378	13.2
71.29071	4.4
98.22712	7.5
109.06528	5.4
143.20522	5.9
147.36989	4.7
148.60820	4.8
207.10240	10.9
209.11845	39.6
227.12901	12.2
235.08226	4.9
253.09265	7.3
263.20255	6.9
289.18027	9.4
307.19183	20.6
325.76590	6.8
327.21713	10.3
503.88068	4.6
543.28571	7.8
560.11487	6.3
593.69574	7.0
753.42029	5.4
789.38885	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	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	10.7
61.00830	2.9
61.98829	13.2
69.24132	15.9
71.01383	18.8
76.45305	3.0
83.05017	4.6
84.35700	2.5
85.00439	2.7
87.00932	2.7
89.02480	3.3
96.96015	5.7
97.02943	3.3
97.06588	5.8
98.22690	4.7
101.02433	3.1
107.58647	3.1
116.92850	4.4
118.43682	3.2
126.68464	3.0
135.08131	5.3
163.11253	5.4
171.10257	27.1
193.12309	3.3
206.10516	2.9
207.10300	3.5
209.11833	100.0
210.12141	34.2
211.12320	6.0
225.14923	3.8
227.12888	20.9
235.08260	6.6
244.10739	3.0
253.09314	13.6
254.09671	4.1
289.18115	9.0
289.48474	2.8
307.19098	13.4
309.20694	6.8
318.65009	3.1
341.23300	21.2
342.23703	22.2
343.23984	13.6
445.20755	5.8
509.08978	3.3
717.38812	4.2
735.39886	15.7
753.40021	3.8
789.38562	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.0
61.45979	2.4
61.98833	13.9
64.18877	2.5
66.85786	2.6
70.79028	3.2
70.79360	3.7
71.01383	61.9
83.05060	5.3
85.00436	4.9
85.02960	3.2
87.00874	5.6
89.02468	4.2
90.11794	2.7
96.96015	5.4
97.02956	3.2
101.02439	5.9
109.06620	4.7
113.02486	4.5
116.92863	8.4
153.99298	3.1
161.04553	3.0
163.11345	8.9
171.10269	44.2
191.05737	3.5
197.11870	10.5
199.09747	9.7
201.11403	6.0
207.10236	10.0
209.11829	100.0
210.12122	3.2
211.13298	3.5
225.11371	6.6
225.14975	6.0
227.12849	23.6
235.08246	9.4
253.09305	24.4
289.18121	51.8
291.19678	16.8
307.19144	8.6
309.20770	28.4
343.24832	21.7
390.65244	2.7
402.42966	2.8
406.17258	3.2
445.20776	9.2
579.33820	2.9
717.38348	4.6
753.40356	3.8
789.38495	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.43233	0.7
84.31520	0.6
104.59809	0.7
118.09432	0.6
133.02979	0.8
134.03735	24.9
135.04488	1.0
137.02463	2.3
138.03864	0.6
142.92160	0.6
149.06084	7.3
160.01744	1.4
170.24709	0.8
175.04085	1.4
178.02713	14.5
178.04213	1.0
179.03326	1.0
191.05684	1.3
193.05051	36.0
194.05443	0.8
235.06100	0.9
371.11404	1.7
552.34259	0.7
565.17096	37.6
566.16937	3.6
607.18542	1.3
693.28998	0.7
727.22906	1.7
757.70074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03014	34.1
71.01381	4.5
73.04076	6.3
74.02467	4.5
81.04571	5.1
83.02506	31.1
84.00905	9.3
85.01705	4.2
86.53532	4.4
89.02438	5.3
93.03460	9.8
95.02528	20.5
96.00951	5.8
97.04069	12.7
98.02504	5.2
99.01979	4.9
104.03580	5.9
106.04128	4.9
108.05675	22.1
109.04060	5.5
111.02016	19.7
112.00423	10.4
113.03594	6.4
114.72622	4.5
117.03489	4.6
119.05018	10.9
120.62315	3.9
124.05204	5.5
125.03598	9.4
129.10378	10.4
131.03792	8.2
133.05325	4.2
134.03758	38.3
134.06126	11.6
134.07184	6.0
137.03519	4.8
141.03052	11.4
151.08765	6.8
153.07849	16.5
153.10359	9.5
154.06192	4.4
155.08276	47.1
160.04036	10.3
162.06844	7.5
163.06221	26.8
165.10286	5.5
169.09827	17.7
175.99220	3.9
179.09476	8.3
181.09811	15.1
186.05612	6.9
186.12508	10.1
191.05646	9.5
191.08278	10.0
193.05028	43.4
194.05424	11.3
198.73366	4.2
204.06654	6.8
212.10403	11.3
217.06192	22.9
220.08319	5.0
221.09373	4.8
228.87907	4.7
247.07339	4.8
248.07872	9.0
265.10611	5.3
304.92108	6.0
330.14624	12.2
341.11002	5.5
349.19733	4.7
356.12558	5.2
361.16251	9.5
367.10245	18.4
373.18958	7.3
399.16248	6.1
417.17886	17.9
418.18506	6.9
425.14282	6.9
436.19635	17.4
442.17410	5.7
482.16751	5.6
520.19562	11.7
530.18726	6.7
536.22668	5.3
561.22308	8.6
579.23090	71.6
580.23383	5.6
597.24969	5.1
625.23279	5.8
648.25006	6.4
654.26349	11.1
666.26147	23.0
684.27411	100.0
685.28125	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	790.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03429	0.5
59.01376	100.0
61.55317	0.3
71.01376	8.6
73.02941	3.5
75.11073	0.3
83.01381	1.7
85.02946	4.8
87.00880	0.5
89.02454	0.5
95.01395	0.6
99.00898	1.2
101.02438	7.3
113.02438	4.1
125.02514	0.6
133.43481	0.4
141.21785	0.3
143.03535	0.6
159.03004	1.0
161.04559	3.8
191.05629	1.1
192.05960	0.4
269.10278	11.7
311.11349	6.7
358.20117	0.6
377.16489	0.3
434.21808	3.9
435.22437	0.4
610.53381	0.3
622.49384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
71.01381	11.3
71.01780	0.5
72.44900	0.4
78.01130	0.6
83.01390	0.4
89.00327	1.5
91.01887	0.9
98.22688	0.6
106.00610	1.8
111.00898	0.4
115.00367	6.7
121.02953	27.4
122.03300	0.8
123.00874	1.3
133.01488	0.6
134.03685	0.6
136.98721	0.3
138.03227	2.8
139.00368	0.4
153.05576	24.0
154.05917	0.4
166.99837	0.5
182.02200	4.1
191.05600	0.9
193.05064	0.5
197.04544	100.0
198.04883	2.6
249.52197	0.3
313.05658	7.3
314.06277	0.4
384.16666	0.4
486.95532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	6.1
58.35037	0.2
59.01371	0.7
59.09340	0.2
62.96025	0.2
69.15724	1.4
70.02973	4.4
72.00887	1.4
72.04528	1.2
73.02938	0.4
74.02473	33.6
84.04520	0.2
89.02450	0.3
98.02479	7.3
98.22714	0.4
101.02468	0.3
113.02480	0.6
115.73230	0.2
116.02712	0.4
116.03548	9.1
116.05058	12.5
117.05395	0.3
129.05865	0.3
130.06650	1.6
133.34978	0.2
142.06604	3.4
159.09271	2.6
161.04591	0.4
183.09270	0.6
186.05606	0.6
191.05634	0.2
201.10338	2.9
202.10367	0.2
203.08257	33.9
204.08597	1.0
245.09297	100.0
246.09647	4.3
267.52246	0.2
289.08322	1.0
387.20090	0.5
431.34470	0.3
449.24747	0.2
563.20996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71188	4.6
59.01370	9.2
61.98832	48.4
67.60227	3.9
69.34941	18.5
71.01362	16.5
75.74020	5.0
89.91688	4.3
89.97370	4.0
96.96014	5.1
97.28401	4.0
101.02420	5.1
116.92863	6.6
132.36496	4.1
157.16675	4.8
171.10226	20.4
173.04486	4.3
186.89282	4.8
209.11809	100.0
210.12161	4.8
211.13443	29.0
227.12904	26.9
235.08173	6.5
251.16527	18.2
253.09314	12.1
289.17999	5.0
291.19632	33.2
294.44247	4.0
309.20786	40.2
335.10431	4.5
445.20844	8.9
487.25613	5.2
527.28961	13.5
755.41461	5.2
791.39764	50.8
792.40137	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	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73340	9.2
56.76953	8.5
84.44005	8.5
141.39638	8.9
204.74310	9.1
209.11823	100.0
227.12955	17.8
277.21677	74.7
445.20944	18.6
476.74304	10.9
576.35876	11.2
791.43256	30.2
807.44647	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	793.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29439	0.2
59.01378	1.6
61.98820	0.8
70.31050	0.2
71.01364	0.5
73.02945	3.0
75.00875	3.2
77.43680	0.2
84.00565	0.2
89.02434	0.3
92.28098	0.2
98.22599	0.6
99.00884	2.2
99.92587	10.2
100.92606	0.5
101.02411	0.3
113.05213	0.2
114.93427	0.5
115.04012	0.4
115.99902	0.3
116.03537	0.3
116.92860	100.0
116.97243	9.0
117.01934	6.1
117.05595	0.4
117.92869	4.0
126.75581	0.3
167.16528	0.2
171.10266	0.3
207.10281	0.5
209.11714	0.4
225.11339	0.5
250.49951	0.2
253.09262	0.4
277.21902	0.4
293.21179	0.8
311.22571	0.2
335.17633	0.9
397.13699	0.6
448.21146	0.3
455.04962	0.4
711.39624	0.3
793.40186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.0
61.98835	22.7
67.03956	3.9
69.95746	3.5
73.37711	3.8
83.05003	4.8
92.92754	4.1
96.96021	5.9
104.96021	3.6
113.02440	4.3
117.92920	4.8
152.82129	4.0
171.10262	5.1
188.12579	3.9
201.11374	4.9
209.11818	100.0
210.12183	6.6
211.13362	10.0
225.11200	5.7
227.12930	24.1
235.08276	7.0
253.09364	26.5
291.19821	6.6
293.21185	21.3
309.20642	8.7
311.22266	80.1
400.64389	4.1
405.76489	3.7
445.20886	4.9
547.31195	6.1
739.42566	12.8
793.41302	57.9
794.41199	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	793.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20062	0.9
66.03476	2.1
67.01889	2.0
69.59492	2.1
69.59905	2.6
71.83302	0.9
75.45073	0.9
84.04544	3.3
86.61571	0.9
89.48237	1.0
91.18263	1.0
93.03447	1.0
96.04545	2.7
96.96012	1.1
98.06116	1.1
98.07864	0.9
98.22580	1.3
110.06097	1.5
111.05665	2.2
112.04015	3.3
112.07660	2.1
113.07211	16.4
114.05614	11.9
118.24194	1.0
122.06024	1.0
124.04044	12.3
132.08191	1.1
134.03683	3.1
135.09254	1.7
137.03485	1.1
137.07138	1.5
138.05598	6.6
139.05142	6.5
139.08772	16.7
153.10281	2.1
163.08791	1.9
164.07141	8.6
165.06680	83.4
165.10315	3.2
176.07140	1.4
191.05629	1.8
191.08289	1.2
193.05048	3.2
193.09808	48.0
194.10101	1.5
197.04633	1.6
207.07675	1.3
209.47638	0.9
211.10832	3.0
227.09630	1.0
236.14000	3.4
237.08786	1.5
262.11829	1.3
262.75092	1.3
290.15063	3.4
333.19443	1.5
367.10193	2.9
484.25580	2.3
581.30707	1.8
793.42505	100.0
794.43103	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	795.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00603	1.4
59.01375	68.4
60.01701	1.1
69.03455	12.0
71.01376	44.4
72.99294	1.0
73.02944	3.5
74.98671	1.0
83.01388	1.7
85.02934	9.7
85.09296	1.0
87.00883	2.0
89.02438	53.6
95.01383	2.8
95.14367	1.1
99.00842	1.1
101.02433	20.1
108.02161	3.8
113.02444	50.5
119.03491	21.2
121.02927	3.8
123.04494	5.1
131.03484	3.9
134.03751	1.3
136.01648	48.4
137.02438	1.1
143.03508	4.6
149.04465	1.9
151.03999	86.3
152.04381	1.4
159.04491	1.1
160.05260	1.8
161.04527	10.1
162.03140	1.6
175.07666	1.6
177.05592	1.7
179.05600	56.5
181.12492	1.0
187.04022	2.0
188.04771	2.1
203.07072	7.3
206.00526	1.2
233.06128	1.7
261.05621	1.2
263.07007	1.6
275.70480	1.2
278.09402	1.3
279.06607	5.7
291.06589	1.5
294.08850	2.4
309.11215	7.7
311.12976	1.7
339.12317	16.4
342.11011	3.7
350.38660	1.1
357.13403	100.0
358.13745	4.2
381.13245	1.3
489.17697	11.6
501.17624	43.7
502.17767	2.8
519.18750	37.2
795.27057	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.7
58.00607	1.3
59.01376	97.6
69.03452	15.2
71.01378	56.5
71.41501	0.9
72.99304	0.9
73.02929	2.1
77.32520	0.8
83.01386	1.3
85.02947	11.8
87.00871	2.4
89.02439	63.6
95.01400	4.6
96.95985	1.3
98.00110	2.0
98.22675	2.5
99.00845	1.3
101.02444	27.1
102.21923	0.8
105.58194	0.8
112.75862	0.8
113.02448	73.8
119.03498	27.6
121.02956	3.3
122.03732	2.3
131.03516	3.9
134.03763	1.7
136.01654	49.7
137.02438	1.8
138.38879	0.9
143.03477	4.5
149.04572	1.9
149.05984	0.9
149.09737	2.7
151.04002	78.6
152.04330	2.5
159.03072	1.0
159.04434	0.8
160.05246	1.3
161.04550	12.9
162.03192	1.4
163.04036	0.9
175.07701	1.1
179.05600	33.2
190.02628	1.1
191.05557	1.3
193.05075	1.0
204.41452	0.8
205.05159	1.1
207.13805	2.4
342.11093	3.8
343.11472	1.1
357.13400	100.0
358.13736	10.9
387.20248	1.1
405.21185	1.8
425.72470	0.9
519.18890	19.2
520.19037	2.5
567.26459	33.6
568.26794	2.0
594.35468	0.9
681.29718	72.5
682.29858	5.7
795.32849	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	795.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50581	0.3
57.44381	0.3
58.25819	0.3
59.01374	2.4
59.85392	0.3
60.99303	18.4
61.98830	0.8
68.17699	0.3
71.01379	1.1
85.02964	0.7
87.00867	3.8
88.00403	0.5
88.98802	100.0
89.02442	14.6
91.01289	0.3
96.96010	0.5
101.02465	0.4
113.02452	0.6
128.95448	0.4
179.05478	0.3
191.05615	0.6
209.11823	7.2
210.12141	0.5
227.12878	1.4
253.09207	0.4
293.86716	0.3
294.71915	0.3
378.98227	0.4
445.20602	0.6
468.00760	0.3
592.87366	0.3
681.36847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.18003	0.7
60.01711	0.8
61.98819	2.0
71.01376	3.0
82.95386	0.8
89.02424	2.0
96.99313	2.2
98.22717	1.2
101.02454	2.5
102.09029	0.8
113.02460	1.3
125.14497	0.9
126.83149	0.9
139.97597	1.1
141.01695	63.2
161.04541	0.8
171.10310	4.7
184.66664	0.8
209.11815	2.5
225.11392	2.1
235.08302	1.6
253.09171	1.5
255.23291	8.1
259.11017	0.7
272.05566	0.7
277.21716	9.3
278.22095	1.2
289.17926	0.9
337.23645	6.4
345.97006	0.9
397.13458	10.4
408.74844	0.8
415.14563	2.6
419.11606	2.0
421.74554	0.9
437.12762	3.2
457.91565	1.0
461.20334	0.9
556.22406	0.9
653.37457	2.6
675.35760	3.6
710.19086	0.9
721.41656	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	795.399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	1.7
71.01384	2.7
71.43467	0.8
74.28197	0.6
82.95425	1.0
85.00436	1.4
87.00943	0.6
89.02450	1.5
96.99338	0.9
101.02474	1.7
125.02475	1.0
133.70984	0.6
141.01698	57.4
143.54097	0.6
164.90982	0.6
209.11761	0.6
235.08151	1.0
255.23347	5.8
264.90543	0.7
337.23706	3.3
368.77213	0.7
397.13483	8.9
415.14655	2.0
419.11914	1.9
422.86481	0.8
437.12918	3.0
653.37964	2.5
675.35101	3.5
785.77118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01377	48.8
60.01718	0.7
60.99266	0.6
61.73618	0.6
61.98809	1.7
69.03452	4.2
71.01377	31.0
71.43463	0.6
72.99301	1.6
73.02950	5.1
75.00852	0.7
83.01378	3.2
84.95142	0.6
85.02948	12.5
87.00862	2.9
88.98795	3.1
89.02441	18.5
90.81882	0.6
91.74938	0.5
93.03452	2.2
94.89159	0.6
95.01369	2.2
96.96008	1.1
99.00864	1.7
101.02441	17.8
103.00395	0.8
103.01482	2.1
111.00857	1.4
111.04513	0.9
113.02448	18.3
116.92827	1.1
119.03493	6.0
122.03745	0.7
131.03510	0.6
135.04454	1.2
137.06067	1.2
137.09702	0.8
143.03439	0.9
159.02907	1.9
161.04578	1.6
165.05505	0.6
171.10222	0.6
173.04593	3.1
179.05492	1.1
185.15407	0.8
191.05650	3.8
205.08646	0.6
209.11682	1.1
227.16504	1.8
229.18147	0.8
243.10283	3.6
255.06528	1.0
271.09552	1.6
291.22998	0.7
339.25223	0.8
357.26404	0.8
389.21786	2.9
390.22504	0.8
391.23187	0.9
405.15399	2.6
422.21338	0.9
429.24887	1.2
433.14304	0.6
501.30725	2.1
519.31836	3.8
681.36981	100.0
682.37408	13.0
741.79578	0.7
795.40240	11.3
796.40387	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	795.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04128	0.8
57.03434	2.4
59.01379	86.8
61.98824	5.3
66.64580	0.8
69.03453	3.7
69.11124	1.4
69.11529	5.7
71.01382	32.5
71.04976	0.8
73.02941	7.0
75.00854	1.3
83.01380	3.8
84.02085	1.0
85.02956	13.0
87.00863	2.5
88.98800	1.3
89.02439	21.6
93.03455	2.4
95.01395	3.1
96.96019	1.4
97.06612	0.8
99.00893	2.0
101.02450	23.8
103.00449	4.8
103.01500	23.8
111.00874	1.1
113.01710	1.6
113.02454	21.7
116.92841	1.5
119.03494	6.9
119.04992	1.5
125.02441	0.9
131.03467	1.0
135.04543	6.9
136.96565	0.8
137.09706	1.2
138.57230	0.9
139.03996	1.6
149.80142	1.0
161.04572	2.1
173.04556	2.0
179.05554	1.3
191.05653	4.6
209.11815	3.3
225.15021	1.0
227.16505	2.5
229.18027	1.6
243.10201	4.8
363.20276	3.4
379.90759	1.1
389.21661	2.8
501.30829	1.3
519.31604	3.4
633.36975	1.0
681.36957	100.0
682.37158	7.2
697.86560	1.0
795.40228	8.3
818.92712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
71.01320	0.2
71.69981	0.1
73.02937	0.6
75.00863	0.7
75.50931	0.1
78.95944	0.1
81.42812	0.2
85.02952	0.2
89.02446	0.2
96.96056	0.2
99.00856	0.3
99.92578	8.7
106.53546	0.2
112.04078	0.3
114.93381	0.7
115.04003	0.3
116.07196	0.2
116.92853	100.0
117.01929	2.0
117.92859	1.8
141.10892	0.2
166.73068	0.1
173.04582	0.2
191.05588	0.2
519.26050	0.2
713.47388	0.5
752.61761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
59.01379	62.1
65.51600	0.5
69.03487	0.9
69.56020	2.7
71.01383	45.9
72.99289	1.0
73.02942	4.4
75.00877	1.0
83.01363	2.2
85.02951	12.5
87.00886	4.1
89.02444	50.5
95.01394	3.4
96.95996	2.5
97.02951	1.2
99.00852	2.0
101.02446	30.5
103.88474	0.6
111.00888	3.1
113.02451	28.1
113.07602	0.6
114.02738	0.8
115.03963	0.8
119.03494	6.2
125.02440	1.7
129.01910	1.9
130.08707	2.2
131.03514	3.0
143.03526	4.9
147.61795	0.6
149.04543	0.9
150.56767	0.7
158.62346	0.7
161.04556	8.5
179.05594	15.1
193.32202	0.6
203.05608	1.8
209.66734	0.7
233.06697	1.5
235.08307	0.7
271.84039	0.7
323.09735	5.9
327.43027	0.7
341.10785	6.2
395.11859	1.0
485.15091	12.4
503.16409	0.7
665.21454	100.0
666.21747	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	796.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.5
60.13021	3.1
60.97058	3.2
61.98839	9.6
70.64256	5.0
71.01380	8.4
71.26435	3.1
71.58916	4.1
73.02963	3.2
82.22570	3.1
83.05018	8.1
85.02943	3.6
89.02467	6.8
96.96024	4.2
97.02950	10.5
101.02439	9.7
109.06596	26.5
111.08199	4.5
112.07938	3.4
113.02435	5.6
125.09734	5.0
163.11304	24.1
165.12813	5.2
191.05569	3.8
191.72105	3.3
197.11769	17.5
207.10258	100.0
208.10629	4.0
209.11845	85.5
209.13730	7.4
225.11337	39.3
227.12877	16.2
235.08302	8.6
238.94388	4.0
253.09265	28.9
258.07755	3.8
265.56152	3.9
289.17917	20.8
289.72208	3.4
291.19635	21.5
295.22928	5.0
307.19092	26.8
309.20685	59.3
350.79221	3.3
383.71503	3.7
443.19531	4.4
445.21301	3.9
461.20462	12.1
502.43350	3.9
615.98724	3.8
753.40784	39.3
786.79193	3.8
796.43750	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	797.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.3
59.01378	100.0
69.51237	4.0
71.01384	53.8
72.01716	0.9
72.99313	1.3
73.02954	7.9
83.01391	3.0
85.02952	12.1
87.00913	4.1
89.02444	68.1
93.03458	1.8
95.01369	4.6
97.14855	1.0
98.21947	0.9
99.00877	1.1
101.02441	30.0
109.02954	1.1
113.02448	26.2
119.02651	1.6
119.03504	26.8
121.02956	1.9
123.00903	2.4
125.02389	1.1
131.03491	3.8
136.01645	14.4
137.02414	1.9
138.03207	5.6
143.03505	7.5
149.04575	5.8
151.00389	2.4
151.04010	22.4
152.04480	0.9
153.05580	7.3
159.04559	1.0
159.41809	0.8
160.05237	2.5
161.04556	15.2
162.03206	1.0
166.02695	13.2
175.07639	1.5
177.05569	1.1
179.05606	52.2
181.05057	18.8
187.04033	2.6
188.04794	3.2
191.05577	5.8
203.05524	1.3
203.07140	9.6
205.08766	1.0
221.06644	2.6
222.06868	1.0
238.06346	1.7
253.08745	0.8
277.05493	0.9
278.05759	1.1
294.05331	2.6
308.10538	0.9
309.07666	3.2
321.07697	1.6
324.10049	5.1
326.11560	1.4
336.09875	1.2
339.08472	2.1
339.12311	12.8
342.11002	0.9
354.11334	1.1
354.92401	0.9
357.09662	3.4
357.13553	1.5
369.13416	38.9
370.13739	2.7
372.12097	4.0
380.61603	5.0
387.14468	64.9
388.14841	3.5
411.14520	1.7
436.45453	1.0
482.81393	1.0
519.18640	8.3
531.18677	31.6
532.19287	4.0
536.56158	1.0
549.19904	3.2
561.19818	2.7
573.19580	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	798.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
61.98821	3.9
69.94912	1.6
69.95242	2.6
71.01368	4.0
80.21838	1.2
83.01344	1.2
83.05034	4.4
89.02444	2.1
96.96024	1.6
97.02972	1.6
101.02472	3.0
111.08160	3.4
142.38837	1.2
163.11281	5.3
165.12840	4.1
169.12283	2.0
171.10318	2.6
197.11827	15.5
209.11826	100.0
210.12154	3.9
211.13347	5.0
227.12898	13.7
235.08197	4.2
253.09254	14.0
291.19611	19.6
292.20059	2.0
293.21088	1.7
309.20709	43.5
310.21097	2.1
394.53696	1.4
445.21017	3.0
558.93250	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	798.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25440	0.4
58.56618	0.3
59.01373	2.9
61.98829	2.5
71.01378	2.3
71.29369	0.4
72.89077	0.3
73.02946	0.9
78.95895	1.9
80.02659	0.7
81.03439	0.7
82.94539	0.4
83.01401	0.3
83.05025	3.1
85.00430	0.3
85.02979	0.5
87.00848	0.6
89.02435	1.3
95.05040	0.4
96.89515	0.4
96.96923	0.4
101.02434	2.4
109.17010	0.3
113.02429	1.3
117.87203	0.4
119.03526	0.6
152.99585	0.6
161.04562	0.8
163.11304	2.2
165.12785	1.7
179.05582	0.7
191.10825	0.9
201.11313	1.1
209.11818	100.0
210.12132	3.3
214.32655	0.3
227.12880	13.4
228.13158	0.4
235.08167	4.8
241.01225	0.5
253.09270	8.9
255.23248	0.7
277.21704	84.6
278.22031	3.6
445.20721	4.3
455.23956	0.3
487.60587	0.4
513.30426	2.0
517.12292	0.4
730.44904	0.3
799.42419	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	800.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
60.51039	0.1
61.98827	100.0
69.08398	0.2
69.08797	0.5
110.94681	0.1
191.05621	0.1
209.11787	0.2
210.12151	0.2
359.23074	0.1
604.28778	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	800.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.17637	1.4
73.07825	0.2
78.47270	0.2
93.03519	0.2
137.34444	0.2
191.05647	0.3
209.11856	0.4
261.30869	0.3
263.84964	0.3
315.77884	0.3
328.34863	0.2
400.25345	0.3
447.69922	0.3
460.13452	0.3
724.86865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98828	0.4
68.57063	0.2
70.66108	0.4
71.01367	1.3
73.02940	0.4
75.12422	0.2
85.02955	1.1
86.10539	0.3
88.23118	0.3
93.03484	0.5
101.02428	0.4
113.02459	1.2
131.03764	2.2
132.04562	0.4
136.01909	0.3
144.04550	10.6
145.05339	0.6
146.06111	100.0
147.06451	1.8
158.06050	0.6
159.06892	0.9
160.07695	0.6
161.04541	0.5
162.05591	8.1
163.99004	0.3
170.06111	0.8
172.04036	12.6
173.04504	0.7
174.05675	0.3
185.73865	0.3
186.05574	1.7
188.03629	0.5
188.07172	1.8
190.05080	30.7
191.05574	3.6
200.07137	0.5
204.06610	0.4
212.07126	0.3
214.05182	1.6
221.92181	0.3
223.06052	0.4
231.05289	0.5
232.06104	5.0
246.07664	0.6
250.76985	0.3
256.06155	0.5
262.07181	0.3
272.50623	0.2
274.07190	11.1
334.09271	7.0
352.10309	0.8
410.25723	0.3
430.87454	0.3
443.23914	0.3
463.15155	0.5
466.32660	0.3
481.16031	3.7
496.14627	2.3
507.14456	0.4
525.15118	28.1
526.15314	1.1
610.38745	0.3
687.20374	35.0
688.20587	2.3
768.68842	0.3
801.22986	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	801.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01378	11.1
59.25984	0.4
64.08064	0.4
67.01887	0.5
68.99809	1.4
69.03455	1.0
69.28812	1.1
69.29214	1.5
71.01376	9.1
72.99305	2.5
73.02959	1.1
75.00468	0.8
75.00868	10.5
83.01382	0.6
85.02947	12.8
87.00873	2.7
89.02432	2.3
89.70323	0.5
93.03459	1.4
95.01382	3.8
97.02962	0.5
99.00884	6.0
103.00367	1.3
109.02944	5.1
111.00887	1.0
113.02439	15.0
115.00395	1.3
117.01936	1.8
121.02950	56.4
122.03267	1.0
124.21538	0.5
125.02430	1.6
129.01930	1.0
153.01930	6.6
153.05568	3.2
157.01372	0.5
160.64886	0.5
175.02477	1.4
189.04062	1.0
191.05602	1.1
195.02791	1.1
217.96808	0.5
231.05089	3.6
236.66895	0.5
245.78145	0.5
249.06131	36.1
269.43976	0.6
271.08258	0.5
315.07239	4.3
326.64499	0.5
353.08746	0.7
356.57990	0.5
371.09796	100.0
372.10144	3.9
393.07840	0.5
424.51062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01376	69.6
60.44037	0.9
61.98830	5.5
66.15421	0.8
71.01382	32.9
72.99290	1.8
78.95873	1.1
79.95695	1.2
80.51400	1.1
82.95406	1.6
83.01365	1.7
85.02937	7.1
87.00883	1.8
89.01931	1.7
89.02444	24.6
93.03442	1.5
94.98075	1.1
95.01366	3.4
96.96011	48.3
97.02899	1.0
97.83504	0.9
101.02441	15.8
102.48573	0.9
106.06622	10.2
107.03722	1.6
109.06503	1.0
113.02439	9.0
119.03498	5.3
122.06087	5.6
127.04008	1.2
134.06122	57.1
142.72636	0.9
152.07147	8.4
153.72903	0.9
165.28014	0.9
169.47432	0.9
171.10239	0.9
173.04539	1.4
176.04701	1.0
179.05602	0.9
185.11743	0.8
191.05566	5.0
197.11739	1.4
207.10103	1.0
209.11778	3.2
211.13286	1.2
235.08665	1.4
239.11755	1.9
247.08675	1.1
253.09119	0.9
263.08328	1.4
265.07468	1.3
288.38959	1.0
291.11340	1.7
314.12589	2.7
326.12906	1.4
328.10709	0.9
340.10779	1.5
341.11713	1.8
342.12433	2.5
352.10980	1.7
354.12491	7.6
355.13989	2.0
356.13837	3.0
357.14746	4.3
366.12506	2.2
367.09561	5.0
367.13724	1.5
368.10034	2.0
368.13977	5.9
369.14633	2.1
370.11844	1.4
370.15634	12.4
372.17090	2.6
380.10147	2.1
380.14355	1.5
381.10754	1.5
382.11829	10.8
382.15799	2.8
383.12637	8.4
394.11810	4.1
395.12738	4.0
396.13431	3.8
397.14157	1.4
398.15063	59.8
399.15323	4.7
410.15063	24.6
411.15546	2.5
412.62363	1.0
424.16840	1.4
430.17615	3.4
464.84805	1.0
473.16235	1.3
487.17661	1.0
488.18393	1.4
503.20398	1.2
504.21414	2.8
517.22131	3.9
526.90900	1.0
527.88306	1.0
545.22015	3.3
546.22638	1.4
590.21454	1.3
681.29669	2.4
684.28192	1.7
697.28418	3.5
725.28235	100.0
726.28418	8.4
757.30859	30.3
757.42371	0.9
758.31488	2.8
769.27258	25.8
770.27606	2.1
801.29840	71.5
802.29889	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	801.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77953	1.6
59.01377	40.9
61.98830	27.7
69.03441	2.9
69.06003	10.9
69.06418	3.3
71.01088	1.7
71.01383	21.3
73.02946	11.1
83.01392	2.7
85.02959	10.0
87.00858	3.1
89.02439	13.1
93.03449	5.3
94.98014	2.1
95.01384	2.7
101.02441	14.6
104.05040	2.5
106.06631	3.9
108.04506	3.2
113.02463	9.8
116.05030	5.6
118.02950	2.5
119.03481	4.8
120.04524	2.5
121.02982	1.9
122.06122	8.8
130.02971	7.7
131.03714	4.1
132.04507	5.6
134.06116	42.1
135.04527	2.6
136.07634	4.0
137.02457	2.7
146.02437	2.1
146.06123	5.4
148.04028	5.1
152.07159	5.7
158.02469	23.1
160.04037	29.5
161.04565	2.4
162.05580	2.6
172.04045	3.4
173.04576	4.0
174.05621	2.3
176.03404	2.4
179.05548	2.0
186.09196	4.0
190.05092	52.2
191.05670	10.3
192.06656	23.4
198.09241	3.0
203.22282	1.8
209.11777	2.9
212.05934	3.3
214.07330	2.4
214.12305	3.0
225.06609	4.1
226.07341	3.2
227.08195	2.8
229.09810	39.8
233.10721	2.1
235.08838	2.1
239.08211	3.4
240.10266	3.3
241.09837	26.2
242.10556	6.5
243.11415	3.7
249.06590	2.2
249.10326	4.2
255.11360	5.7
257.12973	26.3
261.10165	2.6
262.07275	2.5
263.08145	2.6
267.07602	3.0
268.08661	2.5
277.06094	5.8
277.09772	12.1
278.10263	2.0
279.11566	4.0
281.09311	20.3
283.10895	44.5
301.11948	3.9
305.09274	21.9
307.10831	9.8
309.08704	7.5
309.12408	5.2
314.12582	3.2
323.10428	2.6
337.11945	29.4
339.13409	8.3
343.12845	11.2
344.79767	2.1
373.14056	4.3
403.15088	11.9
463.16956	3.4
464.12848	2.2
485.15646	8.4
487.17047	6.7
507.89630	2.4
517.18262	18.5
519.19757	18.6
525.30762	5.4
559.19116	3.0
568.22577	9.6
571.19153	8.9
687.36627	2.4
725.28668	9.3
769.27277	100.0
770.28314	8.7
801.29779	76.1
802.30127	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	801.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	35.7
61.98830	49.2
69.03449	2.0
71.01383	24.3
73.02934	11.6
78.91887	1.8
79.95715	2.4
80.96519	10.1
83.01349	2.1
85.02948	11.0
87.00838	3.9
89.02449	13.6
93.03418	3.4
94.98038	3.2
96.95985	4.5
97.02860	1.8
101.02457	12.8
103.41286	1.6
104.05005	2.1
106.06579	4.8
107.01400	1.6
108.04519	3.8
113.02426	9.8
116.05019	6.5
119.03464	2.6
120.04567	2.0
122.06106	9.4
125.75777	1.7
127.73348	1.8
130.02896	5.7
131.03685	3.5
132.04472	5.6
134.06120	39.4
136.07625	4.2
137.02362	2.3
146.06091	3.3
148.03990	3.0
148.93137	1.9
152.07054	7.2
158.02475	20.8
160.04018	29.6
164.07071	2.5
166.40405	1.9
168.54155	1.6
172.04001	2.1
173.04485	3.2
174.05476	3.8
176.03378	3.6
176.21428	2.0
179.05424	1.6
186.05595	2.8
186.09143	2.7
190.05099	46.4
191.05484	7.6
192.06671	23.4
198.09195	4.1
199.08673	2.6
209.11717	1.9
210.09245	1.8
211.08604	1.8
212.05945	2.0
214.07266	3.2
214.12149	2.1
214.99449	1.7
225.00633	1.9
225.06569	4.5
227.03667	2.0
227.08162	6.2
229.09810	26.5
233.10591	3.3
234.07817	2.4
239.08171	3.5
240.10190	2.2
241.09795	25.9
242.10513	4.0
249.06519	3.3
253.09979	2.6
255.11095	6.5
257.12952	23.5
263.08255	3.8
277.06027	4.8
277.09564	10.1
279.11194	3.8
281.09351	22.2
283.10852	50.6
291.07654	2.9
292.08414	1.9
293.09018	2.1
301.11789	4.4
305.09311	21.2
307.10663	7.1
309.08554	9.4
309.12164	4.0
314.12332	3.8
321.14587	1.8
325.11850	2.2
337.11975	28.1
338.12262	2.4
339.13202	6.8
343.12943	8.9
373.13690	5.3
403.15161	13.3
463.16910	3.6
485.15781	8.3
487.16803	7.2
499.17093	2.9
517.18158	18.8
519.19696	14.3
525.30640	1.9
541.17657	2.2
568.22778	8.3
571.18970	4.6
725.28882	9.5
726.26544	3.3
769.27197	100.0
770.26691	6.7
783.18927	2.1
801.29309	68.8
802.29517	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	802.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01378	50.8
66.92100	1.2
69.23079	5.2
71.01380	24.8
73.02559	2.2
73.02945	29.0
74.85413	1.3
83.01374	6.8
85.02962	9.5
87.00864	3.0
89.02432	11.5
93.03476	3.1
95.01352	1.4
96.96004	5.9
101.02443	18.7
106.06630	5.5
113.02460	12.3
114.92751	1.2
119.03496	3.2
122.06102	2.7
131.03535	1.9
132.04573	1.7
134.06117	36.6
135.04491	2.8
143.03426	1.9
146.06134	1.9
152.07126	10.2
155.03505	1.5
155.86960	1.3
161.04536	2.4
173.04521	4.2
178.31851	1.5
179.03438	2.1
190.05057	4.8
191.05606	15.3
192.05856	2.0
198.27924	1.3
213.10403	2.6
219.02876	2.2
225.06691	2.3
225.10330	1.7
237.06660	2.1
237.10330	8.3
238.07338	2.4
239.08144	2.2
251.08170	4.3
252.05435	1.9
252.08942	1.7
253.09782	5.8
263.08182	2.4
265.06265	7.5
265.09830	5.7
266.06982	17.0
267.07220	2.2
277.06418	2.1
278.06906	7.3
279.07709	3.2
280.08472	3.2
281.09308	81.3
282.09479	3.0
293.09296	42.7
294.09781	4.0
296.11282	7.2
313.11801	9.4
314.12387	5.8
400.16730	2.7
428.16064	3.6
462.97269	1.3
559.18695	1.5
603.96643	1.5
609.15967	1.5
610.16290	5.8
622.23779	3.1
650.23535	100.0
651.23596	9.8
682.26178	12.7
694.22430	11.2
726.25122	88.4
727.25262	8.9
758.27594	4.9
802.21588	2.5
802.36182	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	802.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01377	2.9
67.01889	3.8
69.03463	1.0
71.01392	3.1
71.41125	0.4
80.42321	0.3
81.03449	0.9
83.05042	1.0
85.02972	0.5
85.94331	0.4
88.65379	0.3
93.03453	24.6
94.03774	0.8
96.02135	0.4
101.02366	0.5
109.02900	0.5
111.00854	0.7
111.04510	4.1
117.03456	1.5
134.03735	16.6
134.44601	0.3
137.02443	4.7
148.26625	0.3
149.06076	1.3
151.00465	0.4
155.03519	3.6
166.02719	0.8
168.18706	0.4
173.04539	100.0
174.04887	2.5
181.05028	1.6
182.05331	0.7
191.05632	1.3
193.05049	13.9
194.05431	0.6
338.19870	0.5
367.10291	33.3
368.10834	2.1
368.14575	0.4
387.10712	0.4
417.15564	2.0
418.15842	2.3
558.69800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34208	1.6
67.03017	16.0
82.01688	1.5
83.02502	7.9
84.00914	4.5
85.04085	8.6
89.31237	1.6
93.03439	6.3
93.04585	6.4
95.02542	2.9
96.00879	2.4
107.04961	8.1
108.05730	2.7
109.04064	2.2
111.02009	27.1
112.00420	19.2
113.03577	7.1
115.08765	8.2
117.03514	2.3
118.04100	5.5
119.05018	2.1
122.07262	4.2
124.02816	2.8
124.05175	4.5
125.03560	4.9
125.07196	8.2
125.26821	1.7
129.10339	4.7
132.04575	3.5
133.05333	30.7
133.07709	6.4
134.03671	3.5
134.06125	57.8
136.05174	6.8
136.10863	1.6
139.08765	6.6
140.07147	3.0
141.10371	2.1
144.04536	2.0
146.06097	3.3
148.07669	5.0
151.08759	5.5
152.07222	4.4
153.07782	2.2
153.10312	4.7
154.08746	5.9
155.08272	31.5
159.05637	3.2
160.04028	29.6
163.03790	2.3
164.07207	3.8
164.11894	4.0
165.10316	1.6
167.08272	4.7
169.09842	23.9
172.04028	4.7
174.05627	8.0
176.04558	1.7
177.05379	4.6
178.05064	7.1
179.08241	2.1
181.09842	16.1
186.05615	2.6
187.06264	2.1
189.06671	7.7
190.09796	2.5
191.08267	100.0
191.13022	7.4
193.05040	4.0
193.09573	1.8
194.09419	2.1
194.12938	3.5
198.04137	2.0
198.12396	2.1
203.08321	3.9
206.09450	1.9
207.12540	9.6
217.06128	14.0
220.10945	19.1
221.09297	4.7
223.12009	3.9
224.10362	1.7
229.06230	3.9
235.07320	2.3
235.12000	4.4
244.13292	1.7
252.14592	11.1
258.16003	7.8
260.10321	2.6
286.08243	6.1
286.15536	7.6
303.15741	1.9
304.16745	18.9
305.16711	1.9
314.15030	3.5
329.13760	3.4
330.14606	27.5
330.18295	2.5
331.14526	2.3
346.16589	3.2
347.14813	3.3
356.16129	7.4
373.18823	44.0
383.17276	2.9
399.16724	20.5
400.17392	4.9
401.18375	6.7
416.19315	14.4
428.19583	4.2
443.15723	44.8
460.18320	34.7
472.18359	7.5
503.21426	1.8
517.25659	1.7
554.27863	2.4
591.30115	3.2
609.31586	13.1
634.31152	18.5
635.29401	7.0
637.04419	1.8
652.32080	3.2
653.30511	47.3
654.31256	2.9
678.30011	27.3
679.29846	2.3
696.31085	86.2
697.31366	7.3
754.08966	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	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47523	0.1
61.98828	100.0
71.20750	0.1
82.88952	0.1
82.95415	0.2
84.00937	0.2
85.00419	0.2
96.96003	0.1
159.62924	0.1
179.48993	0.1
209.11838	0.2
273.24243	0.1
314.57571	0.1
327.16727	0.1
425.13190	0.1
505.68567	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	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.64959	0.2
69.73998	0.3
69.74343	0.7
98.10817	0.2
271.60031	0.2
294.92154	0.2
333.59027	0.2
392.68073	0.2
479.54272	0.2
501.04550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81573	0.2
61.98827	100.0
70.64173	0.3
76.47139	0.2
77.07563	0.2
79.81664	0.2
83.84125	0.2
96.68047	0.2
161.18427	0.2
191.05688	0.3
197.11810	0.3
209.11900	0.3
214.68222	0.2
313.32938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43702	0.1
61.98828	100.0
66.11407	0.1
87.75123	0.1
98.21321	0.1
128.71114	0.1
179.16086	0.1
191.05702	0.1
209.11887	0.1
253.09425	0.1
398.78027	0.1
436.61594	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
58.23268	0.7
59.01376	100.0
60.99295	1.2
61.98832	4.5
67.01878	4.8
69.03465	2.0
71.01373	3.9
74.22775	0.7
83.05052	1.1
85.02972	2.2
87.00887	5.5
89.02467	0.8
93.03452	36.2
96.96033	3.0
101.02455	1.6
108.02222	1.1
109.02983	1.6
111.04492	4.4
113.02441	1.2
113.84610	0.7
118.66603	0.7
123.04478	0.8
127.04028	1.1
133.02962	4.3
134.03725	5.0
135.04536	14.0
136.05347	1.8
137.02451	2.7
139.35240	0.8
148.12430	0.7
149.06108	0.8
150.03207	0.9
150.06828	1.6
151.04025	1.8
155.03532	2.4
160.01674	2.8
161.02415	1.1
161.13358	11.9
162.03206	2.0
165.09187	1.6
173.04544	47.8
177.01985	3.2
177.17372	0.7
179.03542	3.7
191.05588	26.3
192.06023	1.2
205.12320	46.4
206.12717	3.0
223.13406	2.7
231.10286	2.6
239.08507	0.8
249.11279	4.9
257.08215	1.6
265.14526	2.2
267.12415	2.2
275.09280	5.4
285.04187	3.3
308.09119	2.1
309.13449	9.2
352.08093	2.3
449.14499	56.9
450.15060	2.4
605.73694	0.9
641.39575	3.3
803.19702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	79.7
61.98811	6.2
65.66930	1.3
68.34135	1.3
69.03455	2.0
71.01010	2.2
71.01382	28.4
72.99298	1.6
73.02948	17.2
80.05035	1.9
83.01376	6.1
85.02933	10.6
87.00871	4.6
89.02444	16.6
93.03449	4.1
95.01402	2.7
96.96018	4.0
99.00906	1.8
101.02432	24.4
106.06632	7.3
111.00880	1.4
113.02467	12.0
118.75835	1.4
119.03516	7.2
120.48636	1.3
122.06117	13.2
123.04450	2.0
131.03450	1.7
132.04564	2.5
133.02904	1.5
134.06114	32.3
135.04512	3.6
136.05299	13.2
137.02470	1.7
139.04005	4.8
143.03494	2.7
148.05283	1.4
149.04573	2.3
149.06073	1.9
150.05630	1.7
152.07162	7.1
153.26489	1.4
160.04001	1.3
160.06421	2.4
161.04597	6.5
165.09203	16.1
173.04558	3.9
177.01909	9.3
177.44672	1.3
191.05574	11.5
209.11813	3.8
213.10362	10.3
221.06534	3.2
226.10851	1.7
235.08754	2.5
237.10414	2.0
239.11871	6.6
241.13440	7.9
247.08650	1.7
249.10364	6.0
250.10950	2.5
251.11981	4.6
262.07510	1.9
263.08096	6.5
264.09067	2.4
265.09906	1.7
275.08246	2.8
277.09781	10.9
277.16397	1.6
278.10556	15.4
279.11340	8.1
285.12451	15.8
286.01813	1.4
290.10693	2.4
291.11349	4.9
293.12921	2.9
295.10858	1.9
305.09253	1.9
314.12643	2.8
328.10962	2.4
342.12439	1.8
343.13138	1.9
355.13275	1.6
356.14063	2.3
357.14859	1.9
358.15533	4.8
372.16806	1.8
384.13208	2.7
385.13763	1.7
398.15027	3.7
400.16638	11.9
410.14975	4.4
412.16599	5.9
425.17508	4.7
427.18832	2.4
479.33633	6.9
604.22955	2.1
605.24042	2.0
641.39056	28.5
649.22620	10.0
680.25012	2.5
681.25995	1.7
689.20526	2.1
727.29889	14.5
753.26624	1.6
759.32507	3.8
771.28857	100.0
772.29114	10.3
786.06030	1.5
803.31506	56.6
803.44275	6.0
804.31799	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	803.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01377	43.1
61.98814	1.8
63.26240	0.6
71.01013	1.0
71.01379	13.2
72.99320	0.9
73.02946	1.3
80.05055	2.4
83.01424	1.1
85.02955	2.8
87.00891	0.8
89.02439	9.8
95.01376	1.7
96.89443	0.7
96.96029	1.3
99.00879	0.7
101.02454	8.3
104.05054	1.1
106.06618	4.7
107.03771	1.0
113.02448	4.1
119.03491	2.7
120.08150	1.1
121.05357	1.3
122.06125	8.1
132.04543	2.8
134.06122	24.7
136.03815	0.6
148.04001	0.8
152.07170	3.2
158.02510	0.7
160.04024	0.9
160.06415	3.1
161.04623	1.4
174.05568	1.4
190.05101	2.6
197.07217	0.6
211.08739	0.8
213.10335	17.9
223.08777	0.8
225.10304	1.2
226.11134	2.2
229.87566	0.7
237.10245	0.9
239.11900	8.4
240.12421	0.6
241.13463	9.3
249.10312	0.8
251.11983	3.1
263.08350	0.7
265.09906	1.1
267.11395	1.4
277.09747	1.7
278.10321	0.6
285.12445	24.1
286.12729	1.4
288.46820	0.6
292.08420	1.0
293.09409	0.8
293.12833	1.4
295.10858	0.8
305.09277	2.1
307.10886	0.8
311.11792	0.8
314.12503	0.9
328.10797	2.5
328.14435	0.7
330.12314	0.9
331.12927	0.7
337.11786	1.7
340.14459	2.0
341.11804	1.0
342.12451	1.7
343.13196	2.7
344.13864	1.4
355.13382	0.8
356.13901	2.2
356.17850	1.0
357.14767	1.6
357.18869	0.9
358.15610	7.6
359.15991	0.9
366.12234	0.8
368.10144	0.7
369.14725	1.5
370.11627	1.5
370.15558	1.9
371.15915	0.8
372.17007	2.6
382.15802	0.7
383.12540	0.9
384.13342	4.4
384.17374	2.1
385.14355	0.7
396.13309	1.1
397.14267	2.0
398.14984	5.1
399.15872	1.0
400.16617	8.6
410.14972	0.8
412.16711	7.4
426.14618	1.8
431.37643	0.7
438.14648	1.5
444.15628	1.9
475.17313	1.2
491.20819	0.8
505.22513	0.9
517.17822	1.3
529.22534	0.9
545.22021	1.1
563.22821	1.5
573.21619	1.2
591.22211	0.7
631.42535	0.7
659.30060	0.8
685.28662	1.8
725.27936	1.1
727.30084	4.4
743.29510	1.8
771.28815	100.0
772.29126	16.8
803.31177	25.0
803.45245	1.2
804.31818	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	803.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64106	1.1
59.01377	55.8
61.98829	42.6
69.48292	5.3
69.48624	1.3
69.67522	1.0
71.01383	21.2
73.02940	2.6
80.05048	3.3
80.91666	1.7
83.01361	1.3
85.02950	6.2
89.02444	16.8
95.01352	1.9
96.96004	6.2
101.02428	11.8
104.05022	1.6
106.06592	5.9
113.02421	7.5
116.92876	1.3
119.03468	5.4
120.08193	1.7
122.06132	11.2
132.04501	2.7
134.06123	37.8
135.04407	1.5
136.05237	3.4
143.03542	1.3
148.04005	1.6
150.06773	1.5
152.07108	5.4
160.06451	5.9
161.04681	1.5
165.09204	4.1
171.58232	1.2
173.04707	2.1
174.05621	2.6
190.05037	2.8
191.05576	4.6
209.11836	2.2
213.10316	20.0
223.08730	1.3
225.10440	1.7
226.11063	1.5
227.11772	1.7
235.08545	2.7
237.10324	1.6
239.11903	19.8
241.13452	15.0
250.59705	1.4
251.11888	4.3
265.10043	2.6
277.06253	1.2
277.09631	2.2
278.10513	1.8
285.09406	1.7
285.12439	28.2
286.12796	2.5
293.12939	2.4
295.10919	2.1
305.09271	2.4
307.10974	2.2
313.23627	2.0
314.12350	2.2
328.10748	3.0
332.17578	1.9
337.11905	2.9
340.14490	2.3
342.12250	2.9
343.13315	5.8
344.13901	2.9
356.13962	3.8
356.17838	2.7
357.14478	1.9
358.15561	15.6
359.15945	2.7
369.14636	2.8
370.11594	3.9
370.15704	3.7
372.16864	2.9
384.13223	7.6
384.17651	1.7
385.14258	2.0
396.13489	2.3
397.14221	3.6
398.14615	5.9
399.15860	1.7
400.16656	17.8
412.16687	7.0
426.14630	1.9
444.15598	3.2
460.64709	1.3
475.17114	5.1
475.28992	2.0
491.20468	2.3
505.22247	2.6
517.18390	1.8
591.21594	1.6
641.38641	2.2
659.30389	2.3
685.28156	4.4
725.27954	1.7
727.29639	18.8
728.30475	2.6
729.27960	2.6
730.28491	2.7
743.28729	1.5
753.25977	1.7
759.32361	3.4
771.28760	100.0
772.29156	15.8
803.31183	64.8
803.44043	9.6
804.31995	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69928	0.2
58.51134	0.1
59.01373	3.3
62.50177	0.1
65.91891	0.2
67.01875	0.2
69.31520	0.9
71.01368	0.6
73.02941	0.3
77.11215	0.2
85.02958	0.5
86.35641	0.1
93.03453	4.2
101.02428	0.5
113.02451	0.5
121.02943	6.9
122.06104	0.2
135.04613	0.2
137.02431	0.3
139.04004	100.0
140.04332	2.1
140.31323	0.2
148.05241	0.2
148.13179	0.2
150.35979	0.2
161.04591	0.3
165.01852	0.4
170.57716	0.2
171.71829	0.2
173.04568	0.3
179.05603	0.4
191.05649	0.8
209.11819	0.3
235.11967	0.3
268.33948	0.2
269.07260	0.2
277.12833	0.3
301.09265	41.1
302.09622	1.3
387.16568	0.6
415.12433	0.6
559.91168	0.2
595.20557	0.2
697.30707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01383	8.1
61.98811	5.2
71.01375	7.2
71.05018	1.6
71.43737	1.7
80.02641	1.5
82.95413	5.7
83.05019	4.5
87.00857	2.6
89.02416	2.0
93.03463	1.7
96.96013	2.6
97.06583	1.7
101.02449	3.4
109.06577	4.9
113.02444	3.1
141.16235	1.4
153.09245	3.9
161.04497	2.9
163.11227	4.1
165.12778	1.8
169.12302	3.7
171.10223	6.9
179.05659	1.7
185.11812	2.1
191.05605	4.7
191.10710	2.0
197.11789	7.9
207.10188	3.6
209.11818	100.0
210.12102	2.9
211.13373	4.4
225.11371	2.2
227.12888	13.4
235.08188	5.5
237.14917	6.3
253.09286	10.5
289.18039	6.5
307.19180	18.8
325.20145	20.8
374.87494	1.5
393.61807	1.5
495.94186	1.7
525.26898	1.9
543.27985	3.8
735.39166	2.7
736.38892	2.3
753.39551	4.2
803.43713	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	804.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03008	11.0
69.18604	3.4
69.19012	5.8
72.00915	2.8
73.04070	13.1
74.02484	1.9
83.02513	2.7
85.04066	6.3
86.02496	1.7
93.03466	2.8
93.04583	5.8
95.02554	1.7
98.02449	1.6
99.02010	11.6
99.05692	1.8
107.04925	5.7
111.02002	16.3
111.52859	1.6
112.00401	7.6
113.03553	2.8
114.56860	1.6
115.08759	6.2
118.04113	5.1
119.05019	12.8
122.07250	2.1
124.05187	4.7
125.03560	2.9
125.07189	8.6
129.10374	3.3
134.03746	2.3
134.06094	3.1
136.05165	4.1
151.08728	2.3
153.10376	2.7
155.08249	19.6
162.05537	2.9
163.04008	6.9
168.11450	1.8
169.09833	6.3
170.89386	1.7
174.12910	6.0
180.06671	16.9
180.11536	1.7
181.09866	6.9
186.12469	16.0
191.08278	3.9
191.13004	8.5
193.09802	11.5
198.12447	2.3
207.12497	4.5
209.11400	1.9
220.10896	4.7
221.09305	2.1
232.06445	1.7
234.13565	1.7
235.12068	3.0
237.08810	7.5
252.14691	2.8
260.17584	3.9
266.12518	2.0
288.09778	2.0
288.17041	2.8
306.18121	6.6
316.16592	2.3
332.16068	20.6
346.16330	3.4
350.17270	1.8
375.20065	2.4
376.15179	2.0
401.18234	1.7
419.19180	10.1
437.72971	1.7
445.17218	31.0
462.19882	16.6
474.19943	5.0
517.25842	1.6
637.30530	2.3
655.31958	18.9
680.31219	12.8
698.32568	100.0
699.32959	4.6
744.23444	1.8
761.36664	1.7
804.36938	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61341	0.7
59.01382	6.9
61.98800	0.8
64.19408	0.6
67.01892	1.2
69.09222	1.3
69.09639	3.3
71.01382	2.2
73.02905	0.7
79.10402	0.6
85.02914	0.8
87.00880	1.2
93.02921	0.6
93.03462	1.3
95.01382	0.8
95.04994	1.0
96.96031	1.4
98.22598	1.8
98.44429	0.7
101.02447	1.4
107.05041	1.0
109.02939	5.1
113.02459	1.3
123.00903	1.6
123.04558	1.0
131.37737	0.7
133.02975	0.9
135.04523	2.7
136.01657	1.9
137.02441	25.6
138.03217	0.9
139.04060	1.2
149.02438	1.9
150.03209	3.1
151.00352	11.1
151.04007	5.6
152.01167	2.2
152.04782	3.3
159.04480	1.0
163.03940	0.9
164.01161	1.8
165.01927	100.0
165.05525	3.8
166.02716	37.8
167.03593	3.4
173.04514	0.9
175.03969	1.8
176.04759	0.7
177.01910	2.5
178.02698	1.0
179.03494	21.1
179.07008	0.9
180.04283	57.2
181.05058	42.5
182.05379	1.3
184.03722	0.8
187.04012	2.9
190.06401	1.9
191.03520	1.0
191.05627	5.2
192.04277	1.6
193.05086	2.2
194.05852	4.4
195.02936	2.7
195.06616	79.7
196.06960	2.2
202.06395	1.1
205.05049	6.1
205.08604	1.1
206.05821	0.8
207.06625	2.6
210.05348	13.1
220.07391	5.0
225.07671	64.0
226.08035	1.7
227.75923	0.7
229.08801	0.7
233.88747	0.7
235.09659	0.7
255.06516	0.7
287.05719	1.4
301.12207	0.8
344.08734	1.2
359.11322	2.2
371.11227	0.8
386.13904	1.1
387.10120	5.3
387.15256	4.6
388.11578	0.8
402.12967	4.4
403.14246	1.8
416.14813	3.9
417.15552	52.7
418.16064	2.4
527.25427	0.8
550.18787	0.8
565.17938	2.8
580.19299	1.9
595.21796	50.9
596.22327	4.2
613.22687	2.0
643.23956	37.1
644.24310	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	805.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.8
61.98816	2.3
73.39543	1.0
88.98808	4.0
89.02448	1.8
93.03448	3.0
102.98588	2.0
111.95659	1.3
121.02959	2.8
122.03756	10.8
125.27239	1.2
133.02962	1.8
134.76707	1.1
149.02441	22.0
150.03223	90.4
151.03540	1.4
157.01979	1.1
164.04829	6.9
165.05562	96.4
166.05884	1.7
173.04605	1.6
177.05492	2.1
180.04282	6.3
181.04982	2.7
191.05617	2.7
195.06621	44.1
196.06819	1.2
200.54988	1.2
268.07352	2.4
280.07501	1.2
283.09808	1.4
308.10587	2.0
308.42136	1.3
309.07599	2.3
311.09091	1.6
312.06302	1.8
323.09241	2.5
324.06277	1.7
324.09933	2.6
325.10706	2.6
326.11511	3.5
327.08615	5.8
339.08667	10.1
339.12454	3.0
341.13809	4.3
342.11105	6.3
354.11032	4.1
357.13416	22.6
369.13397	27.0
387.14313	1.7
447.16507	1.6
475.17731	1.7
487.17175	2.6
505.18881	5.7
535.11456	2.3
535.19733	43.9
536.20361	2.4
553.20648	1.9
565.20660	3.5
583.21820	100.0
584.21942	3.9
643.23297	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	805.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06640	1.5
57.03438	1.8
58.00581	1.4
59.01378	62.4
61.98830	5.9
68.60751	1.1
68.99572	5.5
69.25705	2.9
69.26120	3.3
70.63824	1.1
71.01380	24.7
72.99292	1.5
73.02939	3.0
80.91683	3.1
83.01375	2.7
83.03160	1.4
83.21829	1.2
85.02935	6.9
87.00867	2.0
89.02447	18.3
89.07501	1.1
93.03446	2.1
94.06600	1.5
95.01352	2.2
96.96017	8.1
98.21931	2.2
99.00892	1.2
101.02435	11.9
105.05864	1.4
106.06628	6.3
107.03773	2.6
112.98554	4.1
113.02451	9.0
116.92838	1.7
119.03551	6.4
120.08191	13.8
122.06114	22.1
131.03484	1.3
132.04536	3.0
134.06122	31.6
135.04527	1.9
136.07669	1.4
150.05571	1.4
152.07207	6.2
158.02374	1.5
164.79707	1.2
173.04555	2.1
175.78511	1.2
179.05574	2.5
190.05087	5.1
191.05588	4.0
209.11812	3.1
223.08643	5.8
224.09494	1.9
225.10486	1.7
235.08624	1.1
235.12415	2.4
236.09424	1.7
237.10277	6.5
238.10986	2.6
239.11880	9.2
242.13445	1.1
249.06639	3.4
249.10359	4.0
250.10980	1.5
251.08224	3.8
251.11839	6.7
253.13670	1.4
257.07071	1.7
261.10388	1.7
263.08173	6.3
263.12018	2.4
264.09003	12.2
265.07608	1.2
265.09854	10.0
265.12436	1.7
276.09036	2.6
277.09879	6.0
278.10565	3.5
279.11343	33.1
280.12189	5.4
281.12924	2.5
291.11386	7.6
292.08896	1.1
292.12177	5.0
293.12793	2.2
305.09384	3.5
306.71326	1.2
307.10837	1.6
314.12418	2.3
323.10229	3.0
324.11102	4.8
337.11646	2.6
338.12720	1.3
342.16260	1.6
355.13376	1.4
358.19116	1.5
370.15582	2.1
384.17230	3.1
386.18631	1.8
399.19427	1.6
401.21173	1.8
402.18256	1.8
412.16776	1.9
414.18011	1.8
426.18216	3.6
427.18539	1.2
428.16086	1.8
430.17850	1.6
444.19205	2.5
445.19965	1.7
462.20493	2.0
471.18054	3.4
472.18625	3.9
473.19254	3.2
475.15842	1.2
490.19669	7.6
577.28650	2.6
606.24841	3.7
610.24182	1.7
623.25439	1.5
650.23724	8.2
651.24084	11.1
682.26019	16.1
683.26788	3.3
729.32361	1.3
773.30389	100.0
774.30884	14.1
805.32959	59.0
806.33453	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	805.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01377	100.0
60.01727	0.6
61.98813	0.2
69.03458	0.3
71.01381	5.4
72.88071	0.3
73.02943	5.1
75.00867	0.3
75.30942	0.3
83.01379	1.7
83.97203	0.2
85.02943	2.2
89.02427	2.3
93.03481	0.4
95.01402	0.4
97.02956	0.4
101.02438	6.1
113.02462	3.2
119.03521	1.0
131.03484	0.4
132.96358	0.3
135.04564	0.4
136.06883	0.3
139.04057	0.6
143.03532	0.8
149.04585	1.1
150.03278	0.8
161.04520	2.9
165.05585	1.2
167.03459	0.3
171.49091	0.3
173.04604	0.4
177.29709	0.3
179.05673	1.0
191.05579	2.5
191.07086	0.3
195.06612	0.5
203.05675	0.3
205.08820	0.4
221.06705	0.5
244.97910	0.3
303.14569	0.3
371.20929	0.8
409.15161	0.3
413.21692	3.1
535.19690	0.4
583.22363	1.0
663.29077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	55.1
60.26741	5.9
61.98826	49.8
69.87945	16.3
71.01372	11.4
73.01418	5.0
81.03488	5.3
89.02427	7.1
98.21941	5.6
101.02438	7.0
102.51914	5.4
103.01502	25.3
109.06600	18.8
113.02388	5.4
115.80662	5.9
116.92874	11.3
122.33618	5.0
137.02467	7.3
163.11305	16.3
169.67581	5.1
171.10283	11.3
171.74068	5.0
191.05548	9.2
197.11891	19.0
201.11191	6.1
207.10234	75.6
209.11813	100.0
209.13707	9.4
212.84079	5.5
225.11324	37.1
227.12939	18.3
235.08228	10.5
253.09294	36.9
289.18259	7.3
305.17599	32.5
323.18719	8.6
325.20157	60.3
326.20480	5.9
397.89697	5.6
443.19083	11.1
461.20224	17.9
541.26379	14.9
561.29572	6.7
733.38171	14.5
751.39313	29.4
769.40149	49.7
770.39716	10.5
805.37732	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.5
61.98832	8.7
71.01382	5.2
80.02663	2.7
82.95378	2.5
83.05013	4.8
84.95094	1.7
85.02942	2.2
89.02456	4.6
93.03451	2.7
96.95995	12.1
97.02941	1.6
97.06578	3.8
101.02431	7.0
109.06586	13.3
113.02415	3.1
116.92860	17.8
131.03484	2.3
134.67366	1.8
135.08118	3.0
145.07841	1.8
160.53238	1.6
161.04605	2.0
163.11270	8.9
165.12856	3.2
171.10223	2.2
173.04471	1.8
185.11862	2.9
191.05647	5.3
201.11327	7.2
207.10251	32.9
208.10770	2.0
209.11821	100.0
210.12125	4.5
221.11884	1.7
225.11272	20.3
227.12865	25.2
235.08224	6.3
253.09270	19.1
287.16565	6.3
305.17548	11.2
341.23260	10.2
366.37018	1.7
399.21555	4.1
417.22382	2.0
443.19025	3.0
445.20560	5.1
461.20245	7.9
523.25195	2.1
541.26019	2.4
635.30701	34.4
636.31049	4.4
653.31696	28.0
654.32343	3.3
671.32898	33.5
672.33667	13.9
751.39099	7.3
805.38019	25.8
806.38342	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	805.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98824	58.9
67.22475	9.1
69.86338	31.9
71.01374	21.8
81.88338	9.3
86.61736	8.7
87.00833	9.7
89.02445	10.3
101.02475	15.4
103.01498	61.3
109.06603	30.4
116.92860	10.0
120.52522	9.1
125.52410	11.1
142.22739	10.4
160.84186	14.1
163.11279	22.5
171.10228	22.5
187.00259	9.4
207.10300	69.0
208.10791	11.1
209.11841	94.4
225.11317	62.7
227.12796	31.3
235.08244	9.5
237.14969	17.5
240.29146	9.1
253.09331	27.4
289.17963	20.1
305.17557	30.9
307.19125	26.6
325.20090	29.9
421.73743	9.5
461.20337	25.0
474.31683	11.0
543.28107	15.8
663.33752	27.0
681.34747	22.6
715.37262	11.2
733.38055	59.7
734.37250	13.4
751.39136	94.8
752.40179	12.6
769.40045	45.6
805.37744	81.6
806.38086	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	806.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
57.85393	0.4
59.01374	2.4
59.01677	0.5
59.61536	0.5
67.01889	8.5
69.03453	1.2
71.01381	1.7
71.42303	0.8
83.05022	3.5
84.04542	1.7
84.69507	0.5
85.02947	1.9
89.02461	0.9
93.03467	1.4
95.01397	2.7
96.28263	0.5
99.04537	2.0
101.02451	0.6
102.05627	1.2
107.05023	1.3
107.44704	0.5
109.06589	41.2
111.00877	47.5
112.01728	1.0
113.02458	2.3
119.04977	0.5
122.03767	1.0
122.09770	1.4
123.04575	1.0
123.08125	0.8
125.06100	1.0
127.00386	7.5
127.03992	0.9
134.09785	0.8
135.04524	0.9
136.05302	4.1
137.06052	3.3
138.12860	0.8
139.00342	0.6
139.04016	5.1
143.03474	4.5
147.08109	1.2
150.12875	0.8
153.05608	1.0
154.99884	2.8
155.73724	0.6
161.04564	0.6
164.14436	1.0
168.10266	1.6
170.02213	2.2
171.02995	9.0
173.04460	0.6
175.07651	0.7
191.05574	1.5
192.13940	5.1
220.13466	1.9
222.14941	0.7
232.17123	0.9
234.18600	8.7
258.15219	0.7
260.16519	0.8
272.19916	0.9
278.17606	30.1
279.17816	1.1
294.17084	3.0
300.19614	4.2
316.19250	1.0
320.33875	0.6
344.18610	9.2
348.21817	1.3
361.19012	6.4
376.21182	5.8
388.17633	11.9
389.18106	0.7
409.13324	0.5
420.20267	100.0
421.20639	5.0
632.78680	0.6
715.80212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91325	0.2
57.03435	0.3
59.01377	100.0
60.01721	0.7
61.98838	0.5
69.87540	0.6
71.01379	5.2
73.02941	2.3
77.08141	0.2
83.01373	1.2
85.02943	2.2
87.00884	0.2
89.02429	1.8
89.02860	0.2
93.03474	0.3
95.01396	0.5
96.96013	2.1
99.00908	0.7
101.02440	4.5
113.02445	3.0
119.03519	0.7
131.04593	0.2
135.04561	0.2
139.04044	0.3
143.03508	0.2
159.03030	0.3
161.04529	1.8
179.05585	0.4
191.05676	0.5
203.05646	0.7
209.12061	0.2
209.22232	0.2
211.75488	0.2
263.14960	2.7
305.16110	1.6
353.19879	0.6
371.20648	1.3
413.21796	10.0
414.22403	0.8
487.27921	0.2
579.30920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.6
58.00568	0.8
59.01376	45.3
60.01706	0.6
61.98816	1.2
66.60453	0.5
69.03454	4.2
69.14661	1.4
69.15060	2.4
71.01379	35.3
73.02939	8.1
82.95413	13.9
83.01375	3.5
84.95119	1.4
85.00418	1.2
85.02947	13.9
87.00865	2.6
87.04499	0.9
89.02444	24.5
93.03429	0.7
95.01389	2.9
96.95999	4.8
97.02929	1.2
98.95563	1.0
99.00842	3.0
99.92540	0.8
101.02438	25.1
111.00867	1.1
113.02446	24.6
116.92860	7.0
119.03477	7.7
125.02440	0.9
129.01933	1.3
131.03479	1.4
135.04567	1.3
139.04063	0.7
143.03510	1.1
159.03008	1.6
161.04570	5.2
173.04558	1.1
179.05591	2.2
191.05598	2.7
209.11806	1.7
230.31700	0.6
285.12387	1.5
308.28931	0.6
414.18112	0.8
417.25024	5.1
458.17453	0.7
579.30176	100.0
580.30414	6.9
595.22089	0.8
648.89026	0.6
693.33295	17.9
775.28558	1.4
807.36005	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	807.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90248	10.0
59.01373	36.5
61.98822	100.0
69.69747	32.3
69.70094	19.2
83.40357	10.8
85.02990	12.7
88.93948	11.1
96.96003	19.5
113.02420	11.0
113.43929	10.4
171.10249	33.9
197.11786	16.6
201.11353	15.8
207.10242	34.9
209.11824	88.0
225.11356	74.5
227.12918	16.9
235.08295	13.2
239.96573	12.7
253.09213	26.6
289.17999	13.6
307.19159	31.3
309.20706	45.4
461.20438	30.7
615.78802	11.0
617.38934	16.6
727.38934	17.6
753.40479	68.4
807.38873	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	807.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	17.3
61.98811	37.1
66.70668	10.4
70.98130	20.5
72.79578	11.0
76.68575	9.4
101.60488	11.1
106.87094	12.6
167.11041	12.8
209.11810	100.0
227.12787	21.4
253.09283	14.2
265.01804	13.8
293.21201	87.2
361.52615	11.7
368.90384	12.8
413.19617	12.9
434.97739	12.0
542.00763	12.0
673.18835	14.3
775.29901	12.9
807.43115	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	7.0
58.81045	0.7
61.98839	1.5
62.91430	0.7
64.09675	0.8
70.80894	0.8
70.81235	1.1
72.00900	1.0
74.02472	14.8
82.03011	1.9
86.02482	5.7
86.06091	1.2
86.99107	1.8
87.05640	2.8
97.04066	1.5
99.05646	11.4
101.07191	2.6
102.05613	1.6
105.75964	0.8
107.06110	0.9
109.04052	2.5
111.05642	1.2
112.04057	1.6
113.07245	0.9
116.01793	1.1
123.05661	1.4
124.04044	1.1
125.03503	1.0
126.01958	1.0
127.05141	3.2
128.03539	33.9
135.05638	3.7
141.06691	3.5
143.04614	44.9
145.06142	2.1
146.04605	4.0
153.06670	2.8
160.00742	15.0
166.09827	2.3
167.04630	4.3
167.08253	1.5
177.03404	5.0
179.04608	10.6
181.06194	1.3
185.05629	1.1
191.05606	1.5
197.05701	1.8
210.08815	9.1
242.07835	1.2
254.07777	15.3
272.08859	24.9
287.41321	0.8
288.06583	9.0
306.07629	100.0
307.07935	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	808.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	7.0
58.81045	0.7
61.98839	1.5
62.91430	0.7
64.09675	0.8
70.80894	0.8
70.81235	1.1
72.00900	1.0
74.02472	14.8
82.03011	1.9
86.02482	5.7
86.06091	1.2
86.99107	1.8
87.05640	2.8
97.04066	1.5
99.05646	11.4
101.07191	2.6
102.05613	1.6
105.75964	0.8
107.06110	0.9
109.04052	2.5
111.05642	1.2
112.04057	1.6
113.07245	0.9
116.01793	1.1
123.05661	1.4
124.04044	1.1
125.03503	1.0
126.01958	1.0
127.05141	3.2
128.03539	33.9
135.05638	3.7
141.06691	3.5
143.04614	44.9
145.06142	2.1
146.04605	4.0
153.06670	2.8
160.00742	15.0
166.09827	2.3
167.04630	4.3
167.08253	1.5
177.03404	5.0
179.04608	10.6
181.06194	1.3
185.05629	1.1
191.05606	1.5
197.05701	1.8
210.08815	9.1
242.07835	1.2
254.07777	15.3
272.08859	24.9
287.41321	0.8
288.06583	9.0
306.07629	100.0
307.07935	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	808.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98830	100.0
70.38632	0.4
71.96080	0.3
87.00900	0.4
96.96034	0.9
98.22694	0.7
102.89497	0.4
129.50401	0.4
159.86951	0.3
165.01884	0.5
183.43828	0.4
191.05637	0.8
195.06636	0.5
215.14320	0.4
230.63557	0.3
328.53952	0.4
344.89832	0.4
414.69107	0.4
507.08386	0.4
514.36621	0.4
629.26373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01372	2.9
65.38082	0.7
67.01888	11.9
69.03465	2.3
69.61133	2.1
71.01381	2.3
83.05038	3.7
84.04556	2.8
85.02988	1.2
90.95430	0.7
91.00302	0.7
93.03462	1.4
95.01384	3.4
95.86037	0.7
97.02940	1.1
98.22658	1.5
99.04541	1.9
99.61549	0.9
107.05003	2.0
109.06587	44.8
110.07027	0.8
111.00880	54.3
113.02441	4.6
122.03719	0.9
122.09750	1.5
123.04494	0.9
127.00391	8.3
127.03970	1.3
134.09792	1.3
135.04457	1.2
136.05264	4.9
137.06094	4.0
138.12822	0.9
139.04001	4.5
143.03523	4.7
147.08133	1.3
153.05623	1.3
154.99844	2.9
156.00633	1.3
164.14523	0.8
168.10358	1.8
170.02223	3.2
171.02997	12.2
175.07637	1.2
191.05641	1.1
192.07991	1.0
192.13914	6.0
220.13463	3.6
232.17090	1.4
234.18663	9.3
239.53719	0.8
250.17984	1.0
260.16528	0.9
272.20386	0.8
278.17606	35.5
279.17889	3.1
294.17029	3.5
300.19757	5.1
316.19046	1.6
344.18646	10.8
348.22086	1.1
358.20294	1.0
361.18970	9.1
362.18970	1.2
376.21252	7.4
388.17645	12.7
402.19247	0.9
420.20239	100.0
421.20682	9.7
422.21237	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	809.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89757	0.5
59.01378	100.0
67.01920	0.6
69.03436	0.5
69.22372	0.9
69.22776	1.5
71.01382	10.8
73.02944	2.4
73.21471	0.4
76.37168	0.5
83.01413	1.3
85.02925	2.4
87.00922	0.5
89.02454	0.7
93.03469	1.2
95.01379	0.6
98.21900	1.2
99.00884	0.6
101.02438	2.9
106.04250	3.1
108.02187	0.6
113.02454	2.1
123.04568	0.7
125.02438	0.6
133.02962	0.7
135.04546	0.8
143.03584	0.6
160.01733	0.6
161.02489	0.6
161.04576	1.8
161.09727	5.4
163.04129	0.7
173.04605	1.5
191.05594	3.6
193.08737	1.2
203.05617	8.9
203.07410	0.8
205.08690	16.7
205.10594	1.0
206.09079	0.6
347.57074	0.5
351.07654	0.6
397.15121	0.7
765.23004	0.7
809.41345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	2.6
67.67281	0.9
69.60376	3.0
93.03464	5.1
96.96018	2.9
98.22565	2.3
109.02954	1.3
121.02956	4.2
122.03739	14.6
124.01717	1.1
133.02928	2.5
135.04509	1.4
136.01659	4.5
137.02441	4.0
149.02438	17.5
149.06082	1.5
150.03221	94.1
151.00369	1.9
151.04015	8.0
159.63261	1.2
164.04814	5.7
165.01898	2.3
165.05562	100.0
166.02733	4.4
166.05908	1.8
167.03465	1.6
177.05568	1.5
179.03442	1.2
179.07124	4.7
180.04240	6.6
181.05061	5.5
191.05704	1.1
195.06618	72.3
196.06883	1.7
205.05136	1.1
225.07664	2.6
276.28839	1.1
279.62897	1.1
299.52872	1.0
306.36911	1.2
332.76678	1.0
373.12524	1.1
387.14444	4.1
417.15454	7.7
421.15012	1.2
565.20825	11.5
566.21130	1.4
595.21521	1.3
613.22534	5.4
686.34564	1.1
713.26288	1.5
761.28381	1.4
809.30359	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	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
61.98824	1.7
71.68124	0.7
74.79127	0.7
75.19479	0.7
93.03458	3.7
108.02208	1.0
109.02968	1.5
121.02954	6.7
122.03742	15.1
123.04530	1.2
131.38832	0.8
133.03006	1.7
134.03688	2.8
135.04562	0.9
136.01624	4.8
137.02464	4.6
146.03737	2.0
147.04485	0.9
149.01244	1.4
149.02441	26.9
149.06079	2.9
150.03223	100.0
151.00362	1.4
151.04019	18.7
152.04744	1.6
154.60756	0.9
157.59537	0.7
161.02470	1.2
161.06128	1.0
162.03156	1.5
164.04767	6.4
165.05569	89.3
166.02715	6.0
166.05927	2.2
167.03516	1.0
175.04089	1.0
177.05551	1.9
179.07132	8.5
180.04306	6.3
181.05045	8.7
192.04225	1.1
195.06619	49.0
196.06963	1.0
203.87776	0.8
205.05069	2.2
206.05943	0.9
214.33786	0.8
219.06667	0.9
220.07477	1.1
387.14529	2.1
416.14603	1.5
417.15576	9.0
418.15591	0.7
528.12421	0.8
535.16083	1.1
550.19073	0.8
564.20068	2.3
565.20807	17.7
566.21027	1.6
595.21826	3.2
613.22864	7.5
614.23187	1.2
619.22015	1.3
667.23230	1.0
713.25946	7.9
714.26221	1.0
743.27545	3.8
761.27991	2.1
791.28455	1.2
809.30365	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	809.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
58.02971	5.5
58.44567	0.3
59.01377	4.9
69.03451	0.5
69.64162	0.9
70.02975	4.9
71.01385	2.0
72.00909	1.4
72.04549	1.6
74.02470	36.7
85.02968	0.7
89.02428	2.5
93.03459	0.5
96.96015	0.6
98.02469	7.6
101.02443	1.2
113.02444	2.1
116.03547	8.5
116.05055	13.5
119.03498	1.1
129.05859	0.3
130.06613	2.0
133.02953	0.4
135.04491	0.3
139.07776	0.3
142.06625	3.1
143.03537	0.4
149.09717	1.7
153.09200	0.7
159.09283	2.8
161.04568	0.8
167.10762	2.7
167.68570	0.3
173.04471	0.5
177.01939	0.3
179.03543	0.3
179.05582	1.3
183.09207	0.5
186.05565	0.8
191.05589	1.0
201.10365	2.7
203.08250	34.0
204.08571	1.0
225.14944	0.5
245.09293	100.0
246.09680	1.9
289.08270	1.4
378.60892	0.4
405.16156	0.5
405.21295	9.9
414.62811	0.3
467.15958	0.4
519.24567	3.6
733.77106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01377	100.0
59.52938	0.2
60.01710	0.6
61.98832	0.3
64.60497	0.2
69.62533	0.7
71.01379	4.5
73.02941	2.7
78.80987	0.2
83.01361	1.0
85.02943	3.5
87.00890	0.3
89.02439	1.0
95.01395	0.5
96.96014	0.9
98.22558	0.4
99.00904	0.8
101.02434	4.7
113.02448	2.4
119.03517	0.4
143.03499	0.3
159.02966	0.5
160.29076	0.2
160.70654	0.2
161.04539	2.0
173.04669	0.3
195.79048	0.2
238.26932	0.2
263.10394	0.2
263.15015	4.3
296.27045	0.2
305.16098	3.3
349.18741	0.4
353.23569	0.2
355.21481	0.4
373.22324	3.9
415.23386	7.8
459.79535	0.2
471.89651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70211	0.4
59.01377	100.0
61.98830	0.6
71.01381	0.8
71.73224	0.4
75.00858	1.1
83.16766	0.3
87.00893	0.4
88.98822	0.7
89.02428	0.6
89.84695	0.4
93.03473	0.5
101.02430	0.7
103.00469	8.6
103.01495	73.1
113.02422	0.4
116.92854	1.9
134.89471	1.9
135.04533	0.6
154.00964	0.7
171.10258	0.4
188.37077	0.4
191.05560	0.7
197.66608	0.5
209.11838	2.5
227.13002	0.7
305.08530	2.2
355.23376	0.4
447.63336	0.4
467.13690	2.0
468.13931	0.5
651.35895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50595	2.6
59.01378	33.4
61.98823	10.0
69.09589	16.2
71.01381	19.2
73.02957	3.2
82.95451	3.0
85.00425	3.9
85.02953	9.2
87.00893	5.1
89.02455	9.3
93.03464	5.3
96.96033	2.5
101.02462	10.8
103.01506	7.5
106.04263	9.2
111.04538	3.3
113.02455	9.6
116.92880	10.5
117.92890	2.4
119.03509	3.9
120.05093	2.4
120.38828	2.4
123.96596	2.2
136.53780	2.2
136.89209	8.1
137.02452	2.3
143.03436	3.1
161.04555	7.4
171.10251	12.2
191.05614	8.0
209.11819	100.0
210.12308	3.7
211.13348	6.3
227.12912	29.7
229.14464	4.5
235.08165	15.4
251.68784	2.4
253.09280	26.7
257.11819	69.8
258.12186	7.7
291.19559	3.9
309.20758	12.6
327.21747	83.2
328.22009	3.7
425.47458	2.6
445.20883	14.4
519.33539	3.4
545.29791	16.1
563.30664	11.6
581.22400	51.7
582.22607	6.5
755.42365	4.9
809.40747	52.1
810.40845	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	809.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	8.5
61.98820	30.3
67.29599	5.5
69.11412	22.3
69.11821	13.2
71.01385	7.1
93.03442	7.9
96.96007	7.8
97.02876	5.2
98.68652	5.4
116.92849	20.5
146.44095	5.9
154.83913	5.2
176.52939	6.0
191.05576	11.6
197.11845	30.9
201.11337	61.3
207.10297	8.4
209.11826	100.0
210.12167	5.7
211.13512	6.2
225.11105	7.4
227.12883	25.2
236.51723	6.8
253.09322	42.5
260.62408	6.0
291.19510	16.7
309.20670	98.6
325.36249	5.8
433.20453	6.5
437.20218	8.8
445.20630	11.3
545.29614	17.0
729.40637	12.8
737.40363	6.2
753.40997	8.0
809.40912	66.5
810.41364	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	809.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.9
60.43375	5.2
61.98830	30.0
67.50211	4.8
69.06606	41.1
77.81819	4.9
89.02433	6.8
93.03429	5.4
96.96000	11.1
101.02393	6.8
116.92854	13.7
134.89445	9.8
171.10271	9.5
191.05559	9.0
197.11815	27.3
201.11267	47.7
209.11838	100.0
225.11450	6.1
227.12836	23.0
235.08177	11.9
253.09306	37.0
272.86182	5.3
291.19672	17.8
309.20697	74.6
310.21143	7.3
327.21735	19.9
437.20139	9.0
445.20737	10.5
545.29706	12.6
552.55609	6.4
729.40875	9.0
746.77173	5.8
755.41687	8.8
809.40436	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	811.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	49.5
67.03013	27.5
71.01380	15.6
71.42886	5.8
85.02924	8.5
87.00890	9.6
89.02435	7.7
93.03445	6.9
93.04575	10.6
95.01402	3.3
96.00909	4.1
96.04537	6.6
101.02415	9.8
108.02155	3.7
108.05644	6.1
109.04047	7.0
110.06113	5.7
111.02009	40.2
111.05598	5.3
113.02438	10.9
113.03580	6.3
115.07650	6.1
116.05041	6.1
118.04126	12.8
120.04557	7.1
121.02969	7.2
122.06108	4.4
125.03539	4.2
129.10326	18.0
131.03673	4.8
132.04576	9.8
133.05347	48.6
134.03548	5.4
134.06136	36.8
136.01584	5.6
136.05168	14.8
137.03520	4.4
146.07245	9.3
147.05550	3.7
148.04097	3.8
148.08812	7.5
151.04019	5.4
151.05074	4.3
153.10219	3.7
154.06212	6.8
155.08270	75.1
160.04036	14.3
161.07271	6.5
162.05589	3.6
162.06810	4.2
165.06665	5.0
173.04587	7.5
175.02481	5.3
177.01909	4.8
177.06732	8.4
178.05054	7.2
178.15503	3.5
179.08258	15.4
181.09811	9.3
188.08322	5.0
189.06696	10.6
190.09894	5.1
191.05595	14.5
197.04575	3.8
198.12439	6.7
204.07695	5.1
222.08890	5.6
231.08835	9.5
233.10432	19.4
243.08888	4.8
259.11865	4.4
264.10294	59.6
265.10681	3.5
277.09354	6.9
281.13055	17.2
282.87909	3.4
285.03979	9.3
285.09830	4.7
302.12601	5.5
325.10934	6.3
327.12091	4.5
328.10486	15.3
337.10739	4.3
345.13202	5.2
365.14575	9.7
371.20306	4.6
394.21277	8.9
420.18994	6.2
447.09274	9.1
463.22937	5.9
489.21524	8.2
491.22824	4.4
535.18427	26.5
630.25574	8.3
632.25220	7.6
680.32062	13.1
705.31421	5.2
724.30786	4.3
749.30945	7.9
767.31866	25.2
793.29340	12.5
794.28302	5.2
811.30475	100.0
812.30890	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	813.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
59.93814	0.3
63.02416	0.5
65.00319	0.5
65.59282	0.3
69.19039	1.4
69.19427	0.5
74.95862	0.3
75.00871	0.9
77.80732	0.3
79.95746	0.3
83.01376	0.7
85.02955	1.4
87.00875	0.5
89.02460	0.6
92.38687	0.3
93.03505	0.4
96.96008	7.8
99.00842	0.5
101.02431	0.6
103.00385	0.2
107.01402	1.1
109.02985	0.3
113.02450	1.6
115.07646	4.9
116.26964	0.2
116.92828	0.3
121.95422	0.2
132.02188	0.2
133.02930	2.0
134.03735	0.4
149.02470	0.6
151.00365	2.3
175.03969	1.0
177.01846	0.4
183.04619	0.4
191.05560	0.7
198.03235	0.4
199.04033	1.0
201.01970	0.4
211.04001	0.6
217.05124	0.3
218.46967	0.3
227.03488	0.8
241.05087	0.5
243.03021	0.3
249.06070	0.7
255.02995	0.5
256.03766	1.8
283.02335	0.3
284.03250	36.2
285.04016	82.3
286.04340	4.9
297.03864	0.4
327.05051	0.9
363.13110	0.3
365.14493	7.4
366.14789	0.5
447.09293	100.0
448.09622	10.7
722.19214	0.4
748.00061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	14.1
61.98826	17.5
69.56765	3.8
71.01366	7.6
81.03487	3.2
83.05011	4.1
85.64433	3.2
93.03490	3.5
94.43217	3.4
97.02959	5.4
101.02436	5.2
109.06580	18.3
116.92847	4.5
161.04509	4.4
163.11298	15.2
187.02164	3.4
197.11816	10.0
200.05447	3.5
207.10260	47.5
209.09822	4.9
209.11819	100.0
225.11409	21.6
227.12863	13.4
235.08205	5.7
245.19229	4.6
253.09267	15.5
263.20148	3.9
289.18091	23.7
291.19635	13.6
307.19235	19.7
309.20706	26.1
352.90866	3.4
365.88666	3.4
443.19012	4.3
461.19934	4.0
571.10614	3.7
753.40509	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	814.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99577	0.9
57.03427	1.7
59.01377	55.4
71.01380	44.5
71.01784	1.6
72.99277	1.6
73.02946	5.2
73.31863	1.2
83.01391	3.0
85.02943	13.2
87.00874	2.4
89.02441	50.9
95.01385	3.5
99.00872	1.8
101.02444	25.2
111.00863	2.7
113.02450	27.9
115.04093	1.0
119.03501	9.6
125.02454	1.1
129.01927	1.6
131.03465	3.3
143.03542	6.0
148.04341	1.1
149.04527	1.3
161.04570	8.9
179.05600	15.9
203.05661	2.3
261.96149	1.0
266.15363	1.0
269.31030	0.9
281.93741	0.9
323.09763	6.2
341.10922	6.6
395.11917	1.3
485.15088	13.2
665.21442	100.0
666.21729	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	815.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81683	0.3
67.87335	0.3
71.01359	0.5
77.28864	0.3
83.05025	0.6
85.02952	0.5
87.00871	0.5
89.03979	1.5
93.03442	2.1
111.04552	2.1
117.03454	6.7
118.87006	0.3
129.01859	0.3
134.03737	76.9
135.04070	1.3
137.02434	0.6
149.06071	7.2
155.03526	2.9
167.03462	0.9
173.04536	4.8
191.05600	4.9
193.05042	100.0
194.05376	2.1
212.12009	0.3
246.87621	0.3
367.10297	53.3
368.10663	1.6
504.10754	0.3
646.84259	0.4
776.30292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.3
61.98815	0.8
62.02726	0.7
70.19252	1.7
71.01370	1.7
73.02934	2.7
78.64956	0.6
81.18905	0.6
82.60964	0.7
83.01369	0.7
85.02951	0.7
101.02417	2.3
113.02401	0.9
121.82794	0.6
127.97838	0.6
134.14868	0.6
140.98763	0.6
176.39418	0.6
191.05609	0.7
229.45114	0.7
318.25674	0.6
319.22778	2.8
463.26962	11.8
464.27356	1.0
481.28018	24.5
482.28360	1.0
523.29095	100.0
524.29297	6.5
547.97949	0.7
565.30347	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	815.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	58.1
62.35218	6.3
67.03022	41.6
69.14513	16.4
69.14918	32.0
71.01363	25.7
71.02506	9.3
73.02941	15.9
74.02464	12.5
79.87292	7.6
81.04586	11.2
83.02508	23.7
84.08236	7.5
85.02934	11.9
85.04048	20.0
87.05659	46.4
89.02445	20.9
93.03460	39.9
93.04574	17.8
96.00904	12.2
96.03291	8.9
97.04072	42.6
99.02008	10.2
100.00398	24.2
101.02432	24.7
107.04889	33.9
108.05692	8.9
109.02937	24.7
109.04044	19.4
111.01992	74.5
112.00433	54.8
113.02445	56.2
113.03557	20.0
116.05058	17.6
118.04145	13.5
119.05006	12.5
121.02956	15.9
122.07250	14.6
123.04506	12.3
124.05135	16.0
125.03542	18.7
127.05145	56.8
129.10349	100.0
131.03787	45.2
132.04517	13.6
133.05289	17.5
134.06145	18.3
135.04517	15.6
136.05170	44.4
136.08832	9.5
139.04010	52.2
139.08748	8.2
144.04514	11.9
146.06100	10.8
150.02962	8.1
151.08713	14.5
153.01874	30.1
153.05547	25.7
153.10350	23.3
154.08777	11.2
155.08267	77.5
157.02574	13.2
162.05559	18.9
163.09900	36.5
173.07222	10.9
173.64070	8.4
174.05592	9.3
177.07809	13.4
179.05455	7.8
179.09442	41.7
180.11420	10.1
181.09840	73.1
186.05571	15.2
188.03506	14.8
191.05594	21.8
193.01202	7.3
195.08775	14.7
198.12503	77.9
201.06694	22.2
203.08249	14.1
206.10641	11.7
212.75447	7.4
215.08257	13.7
215.94781	7.7
216.05397	7.8
217.06255	42.4
224.11472	29.7
226.11961	16.9
229.06241	7.4
235.07161	12.7
238.09468	11.9
243.07791	7.5
258.08792	10.2
262.05865	7.6
263.06772	8.0
263.11685	20.5
264.10284	19.3
267.02908	13.1
267.07117	9.8
288.09088	9.6
290.08167	8.9
303.11325	57.2
307.10770	29.6
315.07257	15.0
315.10880	12.6
323.07248	24.7
334.67969	8.9
347.09900	10.4
351.12592	7.4
351.17712	12.1
389.18994	7.8
416.05289	22.5
417.06247	9.5
428.19327	7.9
433.22458	39.8
437.10446	24.9
477.21234	74.0
489.21555	14.1
515.19269	27.2
532.21954	48.7
546.23553	26.6
572.21552	33.9
579.11224	26.7
589.24243	45.3
590.22516	88.4
601.24146	21.5
607.25165	46.7
608.24622	9.8
632.24414	8.4
697.30804	50.6
722.30859	50.9
740.31537	18.4
754.32965	29.0
772.34131	49.1
773.34753	9.2
779.32623	17.2
797.33997	54.2
815.34802	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.1
59.92683	1.1
71.01370	2.6
78.95907	4.9
80.02632	1.3
83.01398	1.2
83.05037	3.8
85.02914	1.0
85.92812	1.0
89.02452	1.8
101.02448	2.5
113.02436	1.2
116.92832	1.5
119.74747	1.1
144.62514	1.0
152.99681	1.8
153.50015	1.1
163.11322	3.0
165.12929	1.1
171.10301	3.1
173.00175	1.2
195.29231	1.0
201.29955	1.1
209.11835	100.0
210.12097	1.3
227.12885	10.4
235.08206	2.9
241.01239	2.0
253.09245	6.8
255.23291	3.9
264.52338	1.1
277.21729	74.4
278.22021	2.0
445.20688	3.9
461.76657	1.0
513.30688	1.5
569.64856	1.0
725.39063	3.2
797.40955	3.3
815.42590	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	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
61.98828	100.0
71.15670	0.5
72.56611	0.5
73.99074	0.4
76.76283	0.5
116.00668	0.4
209.11723	0.7
322.13531	0.5
356.39969	0.5
356.44107	0.6
675.36279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.4
61.98825	100.0
80.83634	0.2
82.93437	0.2
87.74979	0.2
97.06652	0.2
99.92609	0.2
116.49287	0.2
116.92920	0.3
118.04453	0.2
209.11734	0.3
210.12097	0.2
324.87640	0.3
572.96002	0.2
661.51361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	5.1
59.01378	98.8
59.62287	3.5
61.98824	94.8
71.01372	40.6
72.99290	3.6
73.02974	3.7
82.95429	4.9
83.01393	8.8
85.02965	12.6
87.00879	14.0
89.02447	39.0
92.92802	3.8
95.01391	4.0
96.96015	11.3
98.35815	4.1
101.02419	22.4
113.02457	12.3
119.03476	10.7
120.04601	8.6
122.06145	6.6
126.90401	4.6
128.90176	4.7
132.04553	7.4
134.06107	18.4
135.04536	4.0
139.04045	8.2
143.03467	7.3
150.05615	17.5
161.04567	6.4
165.12953	4.8
171.10365	4.8
173.04559	5.2
191.05583	10.4
197.11842	5.1
209.11818	100.0
227.12930	5.6
235.08408	5.0
273.16101	3.7
352.11090	4.3
354.12347	7.7
356.14209	7.2
357.14822	6.4
367.09647	8.1
368.14267	5.8
369.14572	5.0
370.15472	11.6
372.17270	5.4
382.11789	12.8
383.12762	12.5
396.13519	4.3
397.13593	15.5
398.15073	72.9
399.15488	4.4
410.15005	14.1
430.17523	5.5
440.92395	4.3
543.20190	7.2
723.26648	11.9
741.27673	74.2
742.28131	5.8
767.25421	8.8
773.30664	36.3
785.26874	29.4
799.27905	5.5
817.29376	92.1
817.44214	15.5
818.29578	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	817.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	5.1
59.01378	98.8
59.62287	3.5
61.98824	94.8
71.01372	40.6
72.99290	3.6
73.02974	3.7
82.95429	4.9
83.01393	8.8
85.02965	12.6
87.00879	14.0
89.02447	39.0
92.92802	3.8
95.01391	4.0
96.96015	11.3
98.35815	4.1
101.02419	22.4
113.02457	12.3
119.03476	10.7
120.04601	8.6
122.06145	6.6
126.90401	4.6
128.90176	4.7
132.04553	7.4
134.06107	18.4
135.04536	4.0
139.04045	8.2
143.03467	7.3
150.05615	17.5
161.04567	6.4
165.12953	4.8
171.10365	4.8
173.04559	5.2
191.05583	10.4
197.11842	5.1
209.11818	100.0
227.12930	5.6
235.08408	5.0
273.16101	3.7
352.11090	4.3
354.12347	7.7
356.14209	7.2
357.14822	6.4
367.09647	8.1
368.14267	5.8
369.14572	5.0
370.15472	11.6
372.17270	5.4
382.11789	12.8
383.12762	12.5
396.13519	4.3
397.13593	15.5
398.15073	72.9
399.15488	4.4
410.15005	14.1
430.17523	5.5
440.92395	4.3
543.20190	7.2
723.26648	11.9
741.27673	74.2
742.28131	5.8
767.25421	8.8
773.30664	36.3
785.26874	29.4
799.27905	5.5
817.29376	92.1
817.44214	15.5
818.29578	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	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	2.0
62.54612	0.6
63.79608	0.5
70.17853	0.6
70.18192	1.3
71.01386	1.5
82.95438	1.3
83.49312	0.6
89.02448	1.9
93.11880	0.5
96.99333	1.7
97.02979	0.6
98.33510	0.5
100.77281	0.6
101.02466	1.5
113.02452	1.4
125.47800	0.6
139.97691	0.5
141.01700	52.5
212.35545	0.6
235.08415	0.7
243.04965	0.7
277.21732	6.0
329.77182	0.7
359.22079	4.1
397.13519	11.4
415.14664	2.3
419.11624	3.1
437.12689	4.3
675.35956	1.2
697.34430	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	817.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01725	0.5
61.71362	0.5
61.98830	29.5
67.04005	0.4
71.01376	2.5
73.02953	0.6
82.95390	0.6
89.02486	2.6
96.99329	1.2
101.02470	1.6
105.73182	0.6
113.02499	1.5
136.73500	0.5
141.01701	53.0
142.02089	0.7
197.11894	1.1
208.09831	0.6
209.11862	3.9
235.08226	0.9
239.07626	0.5
253.09422	1.0
277.21750	5.1
293.21451	2.5
359.22055	5.5
397.13428	12.7
398.13846	0.9
415.14923	1.9
419.11758	2.7
437.12634	4.7
675.36182	1.8
697.33948	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	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	2.0
62.54612	0.6
63.79608	0.5
70.17853	0.6
70.18192	1.3
71.01386	1.5
82.95438	1.3
83.49312	0.6
89.02448	1.9
93.11880	0.5
96.99333	1.7
97.02979	0.6
98.33510	0.5
100.77281	0.6
101.02466	1.5
113.02452	1.4
125.47800	0.6
139.97691	0.5
141.01700	52.5
212.35545	0.6
235.08415	0.7
243.04965	0.7
277.21732	6.0
329.77182	0.7
359.22079	4.1
397.13519	11.4
415.14664	2.3
419.11624	3.1
437.12689	4.3
675.35956	1.2
697.34430	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	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.01341	0.1
110.32230	0.1
114.66537	0.1
146.42398	0.1
204.62547	0.1
209.11816	0.3
210.12283	0.1
213.03592	0.1
291.30087	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22995	0.1
60.35326	0.1
61.98827	100.0
136.32109	0.1
210.12129	0.1
253.11792	0.1
277.21857	0.1
293.21375	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72867	0.7
61.98829	9.7
66.03477	0.8
69.27293	3.1
72.35264	0.7
78.90489	0.7
79.46211	0.7
80.05051	0.7
82.06609	2.7
87.05672	4.1
88.04050	0.7
88.96633	0.8
94.06636	0.8
97.04053	1.1
98.22610	1.7
110.00649	0.6
112.07633	0.8
118.06608	1.1
121.04051	2.1
127.08707	0.8
129.09415	1.1
129.10339	16.8
130.08734	2.3
131.05061	0.7
136.06573	0.7
139.08797	3.5
140.07159	4.2
142.72775	0.7
146.06070	2.0
151.08754	0.9
153.10364	1.0
155.08304	5.1
155.11931	1.2
164.09537	3.5
165.10335	4.1
182.12950	2.6
183.11392	3.1
195.15048	0.9
197.16557	2.3
199.18300	0.8
200.14082	5.4
207.15009	12.9
208.10774	0.9
214.12257	1.0
223.11972	0.9
224.17694	5.5
225.16144	3.8
241.13400	2.0
242.11780	2.5
242.18713	12.0
259.14539	4.6
268.16638	0.9
268.20166	0.8
276.17133	1.6
295.21381	7.9
312.17041	2.5
313.22418	6.1
329.19791	0.7
330.18094	2.0
337.26089	9.6
338.26315	0.8
347.20706	1.9
355.27197	4.1
371.24213	1.0
389.25494	1.6
394.63510	0.7
443.26556	1.5
468.35675	1.0
539.39258	3.8
544.05249	0.8
556.35028	0.9
573.37433	2.7
615.41711	0.9
646.75854	0.7
782.51831	100.0
783.52222	10.3
818.49591	14.0
819.50787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.2
60.49718	0.4
61.98827	0.5
65.00315	0.9
65.90785	0.4
69.53908	0.4
71.01362	1.2
83.01383	1.1
85.02980	0.8
89.02430	0.4
93.03462	0.6
98.63175	0.4
101.02433	1.1
104.63393	0.4
107.01390	1.7
108.02175	1.1
109.02952	0.9
113.02419	0.5
116.29282	0.4
121.02937	1.3
135.00856	0.5
135.04594	0.4
137.02473	0.4
148.01723	0.5
151.00372	6.9
152.01125	0.5
161.04617	0.6
163.00388	1.5
164.01180	0.5
169.01382	0.7
173.04460	0.5
175.03947	0.5
178.99806	2.8
191.05629	3.0
193.05060	0.5
211.03923	0.7
216.04057	0.4
226.02638	0.6
227.03477	1.8
229.05005	0.5
243.03008	5.1
245.04633	0.6
254.02240	1.4
255.02979	16.6
256.03290	0.8
269.10330	0.7
271.02463	32.4
272.02997	1.8
273.04160	0.7
283.02621	0.7
299.02072	0.8
300.02740	69.0
301.03488	33.6
301.07156	0.6
302.03922	1.7
311.11426	0.5
463.08807	100.0
464.09143	6.7
518.36664	0.5
627.15796	0.4
759.26843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
60.99768	0.4
67.01875	1.1
68.56906	0.4
71.01368	1.5
72.16726	0.4
79.05502	0.6
85.02950	2.4
87.00876	0.4
89.02420	1.0
93.03458	2.6
93.41102	0.4
94.57124	0.4
95.05022	0.7
98.22622	0.5
101.02421	1.0
108.04504	0.5
111.04471	0.6
113.02429	1.1
120.04556	2.5
121.05333	2.3
122.06114	6.5
123.04536	0.5
124.01721	0.4
130.02921	0.4
134.03734	0.6
134.06117	4.1
135.04492	0.7
135.06953	0.8
136.07683	11.3
148.07854	0.5
158.02458	1.2
161.07144	0.5
162.05675	0.8
171.11771	2.2
173.04541	3.4
179.03488	0.9
186.09329	0.7
190.05080	5.3
191.05600	14.0
198.09242	1.8
199.10025	1.8
214.12361	11.2
225.06792	0.4
226.07483	0.7
227.08217	2.4
229.09856	4.9
230.11894	4.6
241.09802	5.9
242.10585	16.7
242.13086	0.8
243.11066	0.5
257.12936	81.1
258.13202	2.0
267.06528	0.9
275.09143	0.6
283.11035	0.7
293.04443	0.6
294.05518	0.6
300.11081	0.5
301.11914	100.0
302.12320	1.9
309.08673	0.5
312.06277	0.5
337.11810	2.4
338.04288	0.5
338.12915	0.9
377.24008	0.4
409.12787	0.8
435.10626	0.7
488.04486	0.5
517.18250	21.2
518.18927	1.8
609.16296	1.3
747.28381	0.6
775.32611	0.7
787.28693	1.4
801.23010	1.3
819.31805	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	819.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	0.5
59.01377	8.5
67.01873	0.7
69.20835	2.2
71.01360	1.4
78.48392	0.3
79.05519	0.4
80.36724	0.3
85.02932	0.9
89.02415	1.2
93.03450	1.1
95.05014	0.6
101.02426	1.2
113.02450	1.1
120.04538	1.6
121.05318	1.6
122.06122	5.5
131.67162	0.3
132.04547	0.4
134.06108	2.9
135.04524	0.4
135.06850	1.1
136.07680	9.7
145.06245	0.5
158.02435	1.1
160.04012	0.5
161.07184	1.2
162.05548	0.4
171.11824	1.8
173.04581	1.7
179.03427	0.5
189.10333	0.5
190.05095	5.9
191.05603	6.5
198.09230	1.6
199.10028	1.3
214.07491	0.7
214.12347	11.9
226.07642	0.4
227.08189	2.3
228.08885	0.7
229.09787	3.7
230.11864	4.7
235.32234	0.4
241.09752	6.1
242.10580	16.6
243.10872	0.7
256.12100	0.8
257.12943	82.8
258.13312	2.2
281.97601	0.4
289.00403	0.4
297.78571	0.4
301.11914	100.0
302.12213	2.3
314.12271	0.6
337.11899	1.5
413.21893	0.4
497.68488	0.4
517.18250	26.1
518.18683	1.7
609.16382	0.5
743.29620	0.5
775.32776	0.7
787.29419	0.7
801.23004	0.6
819.31775	2.5
847.27069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	0.2
59.01376	4.1
65.29438	0.2
67.01881	0.6
70.38911	0.4
71.01385	1.3
79.05507	0.6
89.02429	0.7
95.05012	0.5
101.02447	0.6
105.07182	0.2
107.03781	0.6
108.04507	0.5
119.03490	0.3
120.04536	2.2
120.97829	0.3
121.05331	1.8
122.06120	5.4
130.02939	0.3
132.04561	0.3
134.06107	3.2
135.06897	1.1
136.07678	11.7
145.06271	0.3
146.06104	0.4
148.07631	0.6
151.67957	0.2
158.02419	1.4
161.07199	0.8
162.05620	0.4
171.11795	2.6
172.07634	0.5
176.03531	0.3
184.07773	0.5
186.09250	0.6
189.10397	0.4
190.05089	4.8
191.05524	0.3
192.06596	0.3
198.09294	1.2
199.10025	1.6
212.10768	0.3
213.06648	0.4
214.07396	0.4
214.12366	10.5
215.12529	0.2
225.06743	0.4
226.07469	0.5
227.08176	2.1
228.08986	0.7
229.09807	4.2
229.11984	0.3
230.11853	4.0
239.11890	0.4
241.09807	5.4
242.10593	15.1
243.10954	0.7
256.12155	0.8
257.12952	75.3
258.13245	2.8
272.92926	0.2
283.10892	0.3
300.11127	0.4
301.11923	100.0
302.12256	4.0
314.12595	0.5
337.11972	1.1
338.12662	0.5
505.47382	0.3
517.18243	21.8
518.18549	1.9
715.26196	0.4
743.29340	0.3
747.29468	0.3
775.32220	0.8
787.28302	0.9
819.31256	2.8
820.31927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.7
61.98837	0.6
67.01894	0.6
69.09646	3.3
71.01385	1.9
72.60378	0.5
73.02930	0.6
84.51740	0.4
85.02972	1.2
89.02431	1.3
92.15643	0.5
93.03450	2.6
98.22637	1.0
101.02411	1.1
102.75477	0.4
103.14390	0.4
110.30621	0.5
111.04496	0.8
113.02461	0.9
119.04949	0.7
120.04547	3.5
121.05306	1.6
122.06109	6.1
128.03528	0.6
134.06122	3.5
135.04573	0.9
135.06903	1.6
136.07680	12.3
143.03360	0.6
143.72507	0.5
158.02480	1.1
161.04550	0.5
161.07185	1.1
171.11754	2.7
172.07686	0.8
172.70499	0.5
173.04549	1.4
186.09264	0.7
189.09142	3.0
190.05086	6.2
191.05562	5.1
198.09213	1.5
199.10051	1.7
214.09128	0.6
214.12340	11.9
217.14180	0.4
227.03616	0.6
227.08281	3.4
228.09155	0.9
229.09784	4.7
230.11908	4.2
233.08220	2.2
241.09767	6.6
242.10576	17.0
243.10849	0.7
256.12131	0.9
257.12949	85.5
258.13242	2.1
285.04156	0.9
301.11917	100.0
302.12271	3.2
337.11880	1.7
395.13242	1.1
457.63800	0.5
475.33429	0.6
517.18335	27.1
518.18744	2.0
530.06415	0.5
696.23804	0.9
787.28040	1.3
801.30463	0.9
819.30847	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	819.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.2
60.55925	1.7
61.98831	9.9
71.01386	23.6
72.99303	1.8
73.02941	3.3
75.00857	2.2
78.91901	3.2
80.05055	4.6
83.01401	3.1
85.02955	7.8
87.00867	6.5
89.02441	17.9
93.03463	2.7
96.96022	21.4
99.92574	4.9
101.02441	13.2
106.06609	5.3
108.04640	3.1
112.95953	2.3
113.02445	8.6
115.92063	4.9
116.92888	6.8
119.03501	5.7
120.04536	9.1
121.05337	2.9
122.06118	15.0
123.77145	1.7
132.04538	6.8
134.06123	22.1
135.04518	3.1
143.03508	2.0
148.04080	2.5
149.04793	2.6
150.05646	9.0
150.06668	2.3
153.43272	2.0
160.04030	3.5
160.06447	4.1
161.04758	2.2
173.04550	3.8
174.05640	1.9
183.33150	2.2
190.05161	5.0
191.05586	9.1
209.11823	8.4
210.12125	2.1
213.10335	24.8
225.10355	4.1
226.11133	4.2
235.08705	2.0
237.10179	1.7
239.11829	11.9
241.13510	14.3
249.10356	2.3
251.11778	5.0
257.12967	2.6
265.09836	2.6
277.09875	3.1
285.12463	37.4
293.09503	3.5
293.12897	2.8
293.62363	1.9
305.09256	3.3
316.14539	2.3
321.08722	3.5
328.10950	5.4
340.14688	2.9
353.11420	4.9
356.13593	3.3
357.15106	2.1
358.15588	7.6
368.14221	3.1
370.11798	2.5
383.13028	2.3
384.13245	5.3
397.13635	2.9
398.15115	13.7
399.15613	2.0
400.16534	10.2
410.14859	3.7
412.16571	7.5
444.15213	2.8
488.17932	1.8
517.18243	3.0
533.18140	2.1
543.20154	3.3
545.22095	6.5
571.19592	3.8
589.20789	9.4
716.14691	2.3
725.28668	10.5
743.28870	6.4
757.27307	16.2
769.27216	49.9
787.28326	100.0
788.29034	9.8
789.29315	3.8
801.29785	16.3
819.30914	57.1
819.44287	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	819.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
61.98825	0.6
67.01872	0.6
69.03452	0.5
69.07516	1.6
69.07919	0.7
70.25835	0.4
71.01381	2.3
74.85310	0.4
79.05499	0.7
85.02965	0.7
89.02417	1.6
91.35664	0.3
93.03455	0.8
95.05007	0.5
96.96000	1.5
101.02421	1.1
106.06606	0.4
108.04510	0.5
109.02976	0.4
111.24654	0.4
113.02411	1.3
120.04542	2.6
120.05297	0.5
121.05324	1.8
122.06145	5.2
126.90422	2.3
130.02933	0.3
131.03607	0.3
132.04541	0.4
133.57896	0.3
134.06143	3.1
135.04486	0.5
135.06891	1.4
136.07680	11.1
137.08112	0.4
138.92751	0.4
149.06007	0.4
150.06813	1.5
153.24939	0.4
158.02458	1.2
160.04083	0.5
161.07195	0.6
161.09721	0.4
162.05690	0.5
163.07559	0.4
171.11781	2.6
173.04517	0.4
179.10651	0.9
186.09198	0.5
190.05080	5.9
191.05576	2.1
198.09222	2.2
199.10056	2.0
206.23932	0.4
209.11801	0.4
212.05946	0.4
212.10812	0.6
214.07445	0.8
214.12364	12.2
215.12608	0.5
225.06680	0.5
226.07472	0.9
227.08287	2.3
228.09006	1.0
229.09792	4.8
230.11839	4.3
241.09808	9.5
242.10576	16.8
243.10895	0.8
256.12112	1.3
257.12943	83.0
258.13324	3.6
283.10748	0.6
300.11319	0.9
301.11920	100.0
302.12228	3.8
309.51453	0.3
314.12595	0.6
331.95285	0.4
337.12045	2.0
390.29773	0.5
517.18237	23.9
518.18707	2.0
656.41229	0.7
657.26074	0.5
657.42090	1.8
775.31940	0.8
787.28174	1.5
819.31287	3.5
819.46613	1.0
820.30121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
60.99768	0.4
67.01875	1.1
68.56906	0.4
71.01368	1.5
72.16726	0.4
79.05502	0.6
85.02950	2.4
87.00876	0.4
89.02420	1.0
93.03458	2.6
93.41102	0.4
94.57124	0.4
95.05022	0.7
98.22622	0.5
101.02421	1.0
108.04504	0.5
111.04471	0.6
113.02429	1.1
120.04556	2.5
121.05333	2.3
122.06114	6.5
123.04536	0.5
124.01721	0.4
130.02921	0.4
134.03734	0.6
134.06117	4.1
135.04492	0.7
135.06953	0.8
136.07683	11.3
148.07854	0.5
158.02458	1.2
161.07144	0.5
162.05675	0.8
171.11771	2.2
173.04541	3.4
179.03488	0.9
186.09329	0.7
190.05080	5.3
191.05600	14.0
198.09242	1.8
199.10025	1.8
214.12361	11.2
225.06792	0.4
226.07483	0.7
227.08217	2.4
229.09856	4.9
230.11894	4.6
241.09802	5.9
242.10585	16.7
242.13086	0.8
243.11066	0.5
257.12936	81.1
258.13202	2.0
267.06528	0.9
275.09143	0.6
283.11035	0.7
293.04443	0.6
294.05518	0.6
300.11081	0.5
301.11914	100.0
302.12320	1.9
309.08673	0.5
312.06277	0.5
337.11810	2.4
338.04288	0.5
338.12915	0.9
377.24008	0.4
409.12787	0.8
435.10626	0.7
488.04486	0.5
517.18250	21.2
518.18927	1.8
609.16296	1.3
747.28381	0.6
775.32611	0.7
787.28693	1.4
801.23010	1.3
819.31805	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	819.399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	1.2
61.95392	0.6
61.98829	11.1
71.01389	2.4
87.00889	0.8
89.02465	2.3
96.99324	1.9
100.10092	0.7
101.02472	1.6
103.39085	0.6
113.02437	0.8
120.97691	0.6
130.89572	0.6
141.01704	58.2
142.02112	1.0
209.11874	1.0
243.04840	0.7
279.23361	5.7
361.23523	3.8
397.13489	10.3
403.72421	0.6
415.14529	2.5
419.11810	2.9
437.12759	3.1
605.20813	0.6
677.37653	1.0
699.35449	3.3
785.95520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01379	8.4
67.01884	1.4
68.99796	3.3
69.03471	1.2
70.35786	0.6
71.01380	7.3
73.02922	1.0
73.45214	0.6
75.00861	1.5
75.87941	0.6
78.73842	0.7
83.01385	1.3
85.02955	9.7
87.00887	2.1
89.02438	2.8
91.04005	1.7
91.05537	2.9
93.47168	0.7
95.01396	2.1
96.95983	0.8
97.02952	0.7
99.00899	1.1
101.02462	0.9
111.00886	2.7
113.02448	9.4
121.02953	97.1
122.03281	2.3
125.02460	1.2
137.02501	0.9
137.06061	3.9
139.00320	1.4
157.01480	1.1
161.04645	1.0
175.03961	0.7
182.62598	0.9
190.47433	0.7
191.05644	2.4
231.05089	1.7
249.06180	3.0
263.07715	22.0
267.07217	7.4
299.11459	0.9
329.61014	0.6
331.00003	0.6
353.08691	0.9
385.11386	100.0
386.11652	5.9
434.21667	4.5
572.18060	0.7
631.88055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.32381	0.7
69.32782	1.3
71.01382	0.6
72.81628	0.3
75.41269	0.3
78.91889	0.9
82.95428	0.5
85.00443	0.5
98.22571	0.7
101.02475	0.3
117.25224	0.3
129.41714	0.3
145.16438	0.3
190.55122	0.3
195.13976	0.4
253.09366	1.0
289.18103	3.0
290.18588	1.8
293.21164	3.2
294.21576	1.7
303.08829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98829	100.0
70.96072	0.2
78.91894	0.6
88.62490	0.2
92.59785	0.2
102.61271	0.2
136.35927	0.2
153.74863	0.2
176.10561	0.2
200.47453	0.2
231.25761	0.3
527.45776	0.2
719.16602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.0
68.14651	0.9
69.22538	4.7
71.01373	17.3
73.02939	1.9
77.18034	0.8
80.05071	2.3
83.01392	0.9
85.02934	5.4
87.00880	1.2
89.02443	11.3
93.03466	2.5
94.06598	0.9
99.00903	0.9
101.02444	9.2
102.05597	0.9
104.05093	1.0
106.06619	5.9
107.03732	0.8
108.04577	1.9
113.02448	5.5
114.02805	0.8
119.03504	3.7
120.04532	0.9
122.06118	9.1
123.44587	0.7
128.03583	1.3
132.04555	1.5
134.06120	22.8
135.04509	0.8
136.07677	3.9
145.06232	0.9
146.04634	2.5
146.06094	2.7
152.07162	5.7
160.04045	2.2
160.07724	1.0
172.36465	1.0
173.04619	2.2
174.05626	1.7
180.06631	5.6
186.05557	0.8
188.07079	4.6
190.05089	1.9
191.05551	6.3
211.08743	1.4
213.10410	1.4
223.08676	1.3
223.12331	0.9
224.09624	1.1
225.10368	4.4
226.11020	0.9
227.11900	2.5
235.08740	1.0
237.10283	1.7
238.07529	1.1
239.08255	1.2
239.11768	4.3
245.30232	0.8
249.10309	2.7
250.07443	1.0
251.08272	4.7
251.11926	3.9
252.09053	2.9
253.09811	6.9
254.10410	1.7
257.12930	1.5
258.13263	2.0
263.08246	2.9
264.09024	3.3
265.09790	4.0
266.10580	1.4
267.11334	5.9
277.09695	5.2
278.06711	1.1
278.10519	1.7
279.07806	4.6
279.11371	7.6
280.08322	1.1
281.09305	1.3
285.12418	2.2
291.07761	2.9
292.08536	4.8
293.09311	9.3
294.10089	4.0
295.10901	12.2
296.11169	1.2
301.11987	1.9
302.12341	1.6
303.13351	2.3
305.09201	3.9
306.10016	1.2
307.10873	10.6
308.11365	1.2
311.10403	1.2
314.12479	1.3
321.08749	5.9
322.09119	1.0
323.10303	1.3
333.08771	3.1
337.12003	1.1
339.09869	7.8
351.09717	5.4
358.15515	1.4
370.11624	1.1
372.17407	1.5
376.16409	1.6
377.39377	0.8
384.13406	1.2
398.14761	1.0
400.16711	2.0
409.72943	0.8
410.14865	1.1
414.18277	1.9
424.16635	1.0
440.16165	2.8
442.17923	0.9
458.17120	3.4
467.15466	2.3
468.15582	3.0
469.15363	0.8
486.16718	3.4
487.16965	1.1
545.21912	1.0
592.23242	1.1
602.21942	1.5
620.21954	5.1
622.24677	1.2
638.23486	6.8
648.22009	2.7
652.21539	2.0
664.64160	0.8
666.22998	91.5
667.23254	9.6
670.25848	1.5
698.25629	100.0
699.26031	8.7
771.28766	13.3
772.28931	1.8
789.29950	21.0
790.30621	2.3
803.31738	7.6
804.31165	1.3
821.32092	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	821.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.9
61.98827	30.5
70.63949	11.0
71.01385	59.2
73.92317	6.9
78.95948	7.2
82.95420	72.0
89.02463	11.7
100.20798	7.5
101.02443	10.6
109.06605	31.6
113.06100	13.3
141.01669	8.8
163.11281	22.2
171.10260	16.8
199.09671	8.8
207.10248	100.0
209.11807	91.9
223.09738	26.7
225.11374	66.1
227.12907	17.7
228.27554	8.7
253.09369	23.4
277.03754	8.5
331.76007	7.4
339.87073	7.2
379.03412	7.3
461.20221	28.2
508.87048	8.1
586.29474	9.9
607.27246	12.3
625.29193	17.3
641.29742	8.8
643.29767	26.2
651.30060	29.7
669.31024	23.5
687.31775	14.3
821.37115	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	823.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.2
61.98827	47.8
71.01376	13.6
73.02946	2.3
74.23206	1.1
74.96211	1.4
82.95419	9.5
83.05022	4.3
85.00415	2.0
85.02945	2.8
87.00871	2.9
89.02448	4.1
94.64310	1.2
98.22655	2.3
101.02433	3.4
109.06577	4.5
113.02399	2.7
113.06089	2.8
125.09726	2.6
129.01950	1.8
135.08118	1.5
136.13806	1.3
147.03000	4.3
163.11301	4.6
165.12787	1.9
171.10338	8.0
178.18430	1.4
181.08658	1.5
181.12354	1.2
193.19557	1.3
199.09735	25.4
201.11298	3.8
207.10266	11.4
209.11818	100.0
210.12125	2.5
225.11346	11.1
227.12894	20.0
228.80304	1.6
235.08263	3.8
253.09311	12.6
353.09991	1.4
373.20013	1.8
417.17361	2.2
435.18536	4.7
445.20306	1.4
461.20142	4.7
609.29309	4.7
618.56219	1.4
627.30365	7.6
635.31091	1.7
645.31073	2.4
653.30231	4.8
671.33014	5.7
823.39349	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	823.3885
Annotation	Vincristine
Peak:m/z	Relative Intensity
59.01361	3.2
61.98809	3.9
69.58971	2.6
69.59337	3.3
70.85137	1.2
71.01380	27.5
73.02972	1.5
82.95414	20.0
83.05019	2.8
88.20766	1.4
101.02481	2.6
106.03024	1.3
109.06580	5.2
113.06100	3.8
139.03265	1.6
149.17241	1.4
163.11253	4.1
171.10326	9.7
199.09729	7.9
201.11372	2.7
207.10239	14.1
209.11819	100.0
210.12160	4.1
225.11290	16.1
227.12885	24.6
235.08243	4.8
253.09268	14.7
279.15939	2.7
307.45242	1.6
417.17480	1.8
435.18594	3.5
445.20651	2.6
461.20389	3.8
528.25079	1.7
533.27850	1.9
609.28845	2.9
627.30365	4.7
635.30591	2.3
653.30231	5.8
654.30023	1.5
671.32861	6.4
672.33691	2.9
716.73438	1.7
823.38812	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.3
61.98830	39.5
61.99114	9.3
70.98257	12.0
71.01369	12.4
71.68217	6.7
73.34976	6.5
76.49582	6.7
81.67703	6.1
102.44614	7.3
171.10239	10.4
191.05457	10.6
207.10197	11.9
209.11829	100.0
225.11375	11.5
227.12892	17.0
235.08113	12.5
253.09276	12.7
291.19635	10.8
308.57141	6.4
309.20758	34.1
380.78247	7.4
445.20889	8.5
512.14221	7.3
545.29431	14.4
628.04810	8.3
823.42126	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.4
61.86057	4.4
61.98817	19.3
70.64275	7.4
71.01381	10.5
75.01461	4.7
75.97240	3.8
76.28976	4.1
78.52076	4.0
91.14651	4.0
91.32643	5.4
93.03444	8.4
96.95986	4.7
101.02449	5.3
106.39310	4.9
113.02419	4.8
116.92850	6.2
123.98566	4.4
171.10260	8.9
171.29921	4.1
191.05568	6.7
201.11331	4.4
204.08937	4.5
207.10210	7.3
209.11832	100.0
225.11362	10.3
227.12848	19.7
235.08109	10.0
253.09367	27.1
341.23309	87.0
445.20657	12.9
577.32355	13.1
652.44568	4.8
769.43176	5.9
823.42450	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	10.6
61.98835	32.3
71.01366	9.2
86.19978	7.1
89.02392	7.4
93.03472	8.4
96.96014	8.4
98.55650	7.4
112.19306	6.7
117.49565	6.6
171.10397	7.4
191.05571	10.1
205.41028	6.5
209.11847	100.0
227.12823	22.1
235.08263	22.4
253.09198	10.7
294.82004	6.9
341.23218	77.9
388.17087	7.2
435.96942	5.9
577.32336	9.6
823.42163	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58239	0.3
61.98835	0.4
69.03470	0.4
70.76031	0.4
71.05019	0.3
73.02960	1.4
85.02933	1.0
87.04498	0.6
87.71140	0.3
88.45493	0.3
95.04997	0.3
96.04544	0.4
97.02936	0.5
98.03731	0.6
109.02942	0.4
109.06597	0.7
111.04498	0.5
112.01645	1.0
113.02451	4.2
115.04005	0.8
120.08233	0.3
121.06584	0.6
122.03671	0.4
122.09749	1.0
125.02435	1.4
127.04015	1.7
128.07188	0.3
132.29979	0.3
137.02432	0.4
138.03223	1.5
139.00351	1.1
139.02995	0.5
139.04008	4.9
144.00571	0.4
147.08113	0.6
148.05266	0.3
148.07652	0.7
149.06079	0.8
150.03197	0.9
150.06866	0.8
151.03981	1.1
160.18459	0.3
161.09679	0.3
163.07709	0.7
165.05612	0.5
165.09207	0.6
166.08768	1.3
167.03439	0.9
173.04472	0.3
173.09749	0.3
185.06104	0.6
187.11313	0.3
190.05258	0.3
191.05605	1.1
200.10912	0.4
202.12317	0.3
214.12314	0.4
216.13879	0.5
218.11842	0.4
227.07133	3.6
242.15459	1.4
255.00166	0.3
258.14984	0.4
258.18622	0.7
260.12885	0.4
260.16522	0.7
272.16501	0.7
284.16556	0.8
289.06754	0.3
296.20139	0.6
302.14175	0.6
302.17575	6.1
314.17813	0.4
314.21097	1.6
316.15500	0.4
318.16928	0.5
340.19214	1.8
358.20193	7.9
372.21854	0.8
389.12158	0.5
390.22815	1.8
401.18466	0.4
402.19135	2.1
416.20691	3.3
434.21796	100.0
435.22107	3.7
548.17810	0.4
635.65991	0.3
641.58057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59518	0.4
59.01383	2.4
61.27005	0.4
67.01878	0.4
69.03453	4.2
69.75085	1.1
69.75419	0.5
71.01380	3.0
73.02962	0.9
74.02464	0.9
75.91847	0.5
85.02948	2.0
89.02423	0.5
93.03452	5.4
96.96088	0.5
98.21785	0.5
101.02444	1.7
108.02162	1.3
113.02449	14.6
118.05103	1.7
121.02950	81.7
122.03809	3.0
131.03459	0.4
133.01523	1.1
134.03619	0.5
135.04523	1.0
135.64464	0.4
136.05220	0.6
139.04054	0.6
145.67346	0.5
150.03206	2.0
150.04247	1.2
151.04068	0.7
161.02484	0.7
161.04512	2.1
162.03181	0.6
176.04762	0.5
191.05667	1.6
193.11511	0.5
209.11740	0.5
215.46346	0.5
257.08130	0.5
258.08908	3.5
271.09763	1.3
272.10529	69.6
273.11288	53.4
274.11624	1.6
285.11249	1.3
287.12936	0.9
297.11340	1.8
301.11874	0.6
303.11444	0.5
315.12381	4.6
327.12347	2.6
435.16550	100.0
436.16711	4.0
597.21906	1.7
711.25085	9.7
712.25378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.3
58.09570	1.6
59.01379	96.4
59.51894	1.2
69.03458	18.3
71.01381	66.1
72.99300	2.2
73.02945	4.0
83.01389	2.9
84.54170	1.1
85.02946	11.6
86.45764	1.3
87.00881	5.5
89.02442	81.4
93.03438	2.1
93.95615	1.2
95.01388	5.6
97.02981	1.3
98.00093	2.3
98.22625	1.2
99.00880	2.0
99.04525	1.5
101.02441	28.0
113.02454	100.0
115.07659	5.3
119.03503	30.7
131.03499	5.5
138.03215	4.8
143.03500	8.8
149.04530	3.6
150.52260	1.2
151.03951	1.7
153.05550	8.5
160.05318	2.0
161.04558	17.3
162.03253	1.2
173.04660	1.5
177.01888	4.7
179.05611	79.9
180.05823	1.6
181.04974	1.6
187.03967	1.6
188.04807	2.4
191.05634	3.8
202.91605	1.2
203.07159	13.6
238.06209	1.7
253.08490	1.6
254.17882	1.3
266.05914	1.3
275.07327	1.4
278.05731	1.9
293.08209	1.9
294.05353	3.1
308.10635	1.8
309.07697	3.4
324.10046	6.2
326.11548	1.7
339.12354	17.1
354.11029	1.7
365.14603	9.1
369.13391	48.5
370.13687	2.4
387.14282	2.5
420.31012	1.4
440.20718	1.4
471.16199	1.5
519.11688	2.2
519.18738	23.4
531.18707	83.8
532.18958	4.1
549.19763	26.2
825.27417	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98833	0.3
71.01382	1.4
73.02917	0.3
85.02948	0.8
87.69299	0.2
89.02422	0.5
95.01380	0.5
96.95995	0.2
101.02464	0.7
102.49109	0.2
108.02142	0.3
109.02960	1.4
113.02441	0.5
116.59861	0.2
121.02953	0.6
123.00874	1.2
123.04516	0.2
125.02448	0.6
128.03467	0.2
133.03027	0.2
135.04579	0.3
137.02444	6.2
139.03984	0.5
147.04460	0.3
149.02457	0.9
150.03232	0.5
151.00372	10.2
151.03954	1.0
152.01115	0.9
152.04779	1.6
153.01849	0.4
161.02512	0.3
161.04527	0.2
163.03990	0.4
164.04703	0.3
165.01912	0.8
165.05553	0.8
166.02710	45.7
167.03462	1.8
175.04028	0.6
175.07634	0.4
177.01906	1.8
177.05556	0.3
179.03493	0.4
179.05687	0.4
179.07118	0.5
180.04199	0.2
181.05058	62.8
182.05394	1.2
184.03743	0.3
189.05540	0.3
190.02696	0.2
190.06361	0.9
191.03484	0.7
191.05612	0.6
192.04251	0.9
193.05058	0.8
195.02959	0.3
196.83932	0.2
203.03453	0.3
205.04991	0.5
205.07025	0.2
205.08653	1.2
206.05945	0.3
207.06607	0.7
209.04596	0.3
219.06639	0.4
220.07407	0.3
235.06071	0.3
236.06914	0.3
242.64058	0.2
301.07178	0.4
329.10428	0.3
341.10361	0.4
356.12866	0.2
359.11249	1.3
387.10803	9.0
388.11282	0.5
402.13174	8.3
403.13528	0.7
417.15527	100.0
418.15866	4.6
561.19788	0.9
621.21667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98824	0.4
66.28462	0.3
69.52146	0.9
71.01367	0.9
72.24072	0.2
73.02946	0.3
76.11888	0.3
81.03442	0.3
84.65241	0.3
85.02953	0.8
89.02451	0.4
93.03453	0.3
98.22639	0.3
101.02428	0.6
109.02959	1.4
113.02449	0.5
121.02972	0.5
123.00893	1.3
123.04572	0.3
125.02457	0.8
137.02451	5.6
149.02443	0.5
149.06046	0.4
150.03351	0.3
151.00375	10.7
151.04012	1.0
152.01128	0.6
152.04794	1.8
153.01932	0.3
153.05586	0.5
161.04552	0.5
164.04721	0.5
165.01926	0.4
165.05560	0.9
166.02710	40.3
167.03447	1.4
175.04048	0.8
177.01886	2.1
179.03410	0.5
181.05063	59.3
182.05392	1.4
183.06583	0.4
190.06351	1.0
191.03343	0.6
191.05711	0.3
192.04221	0.9
193.04967	0.8
205.05130	0.4
205.08684	0.8
207.06648	1.0
209.04509	0.4
211.24123	0.3
235.06123	0.3
261.32043	0.3
359.11292	1.3
371.14664	0.4
387.10843	8.9
402.13187	7.7
417.15546	100.0
418.15894	3.6
440.34122	0.3
511.51578	0.3
561.19971	0.7
621.21997	0.4
827.28455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2667
Annotation	Verbascose
Peak:m/z	Relative Intensity
58.00578	1.2
59.01376	100.0
69.03474	1.5
71.01379	84.1
72.99294	2.6
73.02945	10.2
75.00865	1.4
75.65423	0.8
81.03486	1.0
83.01381	5.3
85.02950	23.6
87.00880	6.4
89.02441	87.0
95.01380	7.6
96.15286	0.7
97.02930	2.8
99.00874	3.6
101.02439	60.7
109.02962	0.9
111.00880	5.9
113.02446	51.3
115.03991	2.3
119.03494	10.1
125.02447	3.8
127.12224	0.7
127.16176	0.8
129.01909	2.4
131.03477	5.1
141.01942	1.8
143.03485	9.9
149.04549	2.4
155.03552	1.1
159.02950	2.6
161.04546	15.2
167.03494	1.7
170.54688	0.7
179.05602	51.0
203.05617	3.1
221.06711	1.2
233.06590	1.5
289.82199	0.8
323.09750	8.3
341.10812	11.0
395.12283	1.0
410.17615	0.8
432.85968	0.9
485.15115	10.2
503.16293	5.5
520.75488	0.9
557.17279	1.2
631.90308	1.0
647.20361	18.8
648.21014	1.0
665.21503	1.3
738.89594	0.9
827.26709	89.6
828.27014	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	827.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	0.4
67.01874	0.1
68.40047	0.2
69.03459	0.6
69.60035	0.6
71.01379	10.1
72.99326	0.3
73.02943	13.6
75.00881	0.2
81.03451	0.2
83.01384	3.3
85.02944	3.2
87.00890	0.4
89.02435	4.0
89.02940	0.3
95.01387	1.1
97.02956	0.5
99.00886	0.4
99.04533	0.2
101.02441	11.6
111.04565	0.2
113.02451	6.3
115.94435	0.2
119.03505	1.9
124.54967	0.2
125.02459	0.7
131.03496	1.4
135.04489	0.2
143.03462	1.1
149.04547	2.7
155.03532	0.4
161.04555	5.5
162.02353	0.5
165.05475	0.2
179.05650	0.7
191.05679	0.5
203.05589	0.9
205.58707	0.2
209.15436	0.2
221.06607	1.5
235.85765	0.2
242.44585	0.2
278.01007	0.2
283.12140	0.2
325.13016	0.4
363.20023	0.2
371.20782	1.4
413.21808	4.4
569.42688	0.2
675.74463	0.2
781.42609	0.2
784.09833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
75.00910	0.7
82.95440	1.8
85.00463	1.4
85.78924	0.6
98.21105	0.6
103.00387	4.3
103.01497	67.4
113.00208	0.7
121.23266	0.6
209.11728	0.7
218.51596	0.6
674.04779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98831	48.6
69.16451	7.7
77.35603	1.5
83.04990	2.5
93.03471	13.6
97.71500	1.5
111.04509	8.0
111.61281	1.5
121.02957	2.5
135.01077	1.4
137.02438	11.7
147.04524	2.9
149.02431	26.4
155.03505	19.4
161.02444	2.0
164.04791	24.3
172.99074	1.8
173.04555	42.7
175.00418	2.6
176.08783	1.5
179.07181	3.2
190.02722	14.7
205.05049	21.0
208.03827	2.5
223.06091	31.8
364.08026	3.5
379.10336	27.2
380.10544	1.9
397.11298	3.8
603.17169	100.0
604.17755	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	829.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
60.10286	0.2
61.82784	0.1
64.48630	0.1
71.01377	14.4
71.25851	0.2
76.13659	0.2
79.65866	0.1
84.07947	0.2
85.02990	0.2
86.15123	0.2
93.03448	0.3
100.74561	0.2
105.84528	0.2
114.99538	0.4
115.00367	8.7
121.02950	100.0
122.03278	2.4
125.02461	0.9
137.02460	0.2
139.98915	0.1
147.21092	0.2
149.98001	0.2
161.02415	0.3
162.85158	0.2
184.04285	0.2
191.05598	5.0
221.94008	0.2
237.04027	17.0
238.04427	0.5
260.67618	0.2
299.90768	0.2
303.08795	0.2
337.09323	1.8
347.48215	0.2
350.09048	0.2
366.67493	0.2
446.01175	0.2
447.22131	0.3
824.35785	0.2
848.19073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	0.4
61.54267	0.2
61.98820	0.3
71.01382	7.4
73.02943	3.3
83.01400	1.1
83.05046	0.4
85.02950	2.7
87.00912	0.2
89.02431	1.2
95.01406	0.3
98.22616	0.6
99.00880	0.7
101.02441	5.9
107.05060	0.3
110.86951	0.2
113.02457	4.1
119.03525	0.2
123.08159	2.2
125.02460	0.3
131.03531	0.4
135.04543	0.3
137.06091	2.9
137.09756	0.9
143.03543	0.3
149.04536	0.5
159.02971	0.5
161.04555	3.8
161.05818	0.3
163.11252	2.4
165.05573	0.4
179.05717	0.4
189.12846	3.1
191.05684	0.7
203.05785	0.4
207.13887	4.1
221.06726	0.6
225.14984	1.3
233.08189	0.2
245.09184	0.2
269.10266	3.7
299.11414	0.7
311.11356	2.9
311.14557	0.2
387.20230	1.8
410.11523	0.3
413.14496	0.3
429.21252	8.4
434.22180	0.5
435.22290	0.3
614.81250	0.3
650.03296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	0.4
61.54267	0.2
61.98820	0.3
71.01382	7.4
73.02943	3.3
83.01400	1.1
83.05046	0.4
85.02950	2.7
87.00912	0.2
89.02431	1.2
95.01406	0.3
98.22616	0.6
99.00880	0.7
101.02441	5.9
107.05060	0.3
110.86951	0.2
113.02457	4.1
119.03525	0.2
123.08159	2.2
125.02460	0.3
131.03531	0.4
135.04543	0.3
137.06091	2.9
137.09756	0.9
143.03543	0.3
149.04536	0.5
159.02971	0.5
161.04555	3.8
161.05818	0.3
163.11252	2.4
165.05573	0.4
179.05717	0.4
189.12846	3.1
191.05684	0.7
203.05785	0.4
207.13887	4.1
221.06726	0.6
225.14984	1.3
233.08189	0.2
245.09184	0.2
269.10266	3.7
299.11414	0.7
311.11356	2.9
311.14557	0.2
387.20230	1.8
410.11523	0.3
413.14496	0.3
429.21252	8.4
434.22180	0.5
435.22290	0.3
614.81250	0.3
650.03296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.9
59.01377	100.0
63.90351	0.4
67.21122	0.4
69.03434	2.2
71.01380	27.2
72.99308	0.7
73.02944	81.8
74.03273	0.9
75.00863	1.0
81.03435	0.9
83.01385	17.1
85.02950	4.0
87.00858	0.8
89.01933	0.6
89.02444	8.5
95.01363	1.6
97.02941	0.9
99.00879	0.7
101.02441	53.5
102.02776	0.5
113.02448	17.5
119.03501	8.1
125.02392	1.6
131.03513	4.5
143.03519	5.3
149.04552	15.7
155.03433	1.6
161.04553	28.1
162.04890	0.6
178.29274	0.4
203.05592	3.7
221.06659	14.5
227.10616	1.7
279.43027	0.4
306.67429	0.5
309.98233	0.5
394.14621	0.5
408.21573	0.4
412.05844	0.5
826.64935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	1.2
59.01377	58.0
64.30310	0.9
65.26426	0.8
69.76077	1.5
69.76467	1.9
71.01381	46.1
72.00899	1.4
72.99279	1.1
73.02943	3.0
83.01380	2.2
85.02947	13.4
87.00867	3.4
89.02441	47.9
95.01378	2.8
97.02948	1.4
98.21950	1.1
99.00875	2.3
101.02438	29.7
108.72996	0.8
111.00867	2.3
113.02448	27.5
115.03973	0.9
119.03510	6.1
119.12074	0.9
125.02441	2.0
129.01956	1.3
130.25690	0.9
131.03508	3.4
132.70801	0.8
143.03522	5.5
147.04506	2.6
149.04539	1.6
161.04530	7.3
164.07129	3.0
170.28574	0.8
179.05595	15.3
187.68257	0.9
203.05638	1.9
206.01222	0.8
233.06606	0.9
235.08113	1.4
244.18927	0.9
246.57967	0.8
277.34760	0.8
295.04266	0.9
310.23807	1.0
323.09784	5.7
341.10913	5.6
485.15137	15.2
665.21417	100.0
666.21960	6.0
747.82031	0.9
777.67944	0.9
830.26953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
60.99306	0.4
64.73891	0.1
65.03946	0.2
65.75047	0.1
67.01888	4.5
69.03440	0.8
71.01378	3.0
72.51453	0.1
80.02757	0.1
81.03447	0.9
81.49055	0.1
83.01375	0.2
83.05019	1.0
85.02952	0.4
87.00871	0.4
89.03967	0.5
93.03455	26.5
94.03796	0.4
96.02174	0.2
97.02953	0.1
98.96333	0.1
99.04528	0.2
109.02952	0.8
111.00879	1.0
111.04518	4.7
111.19254	0.1
113.02457	0.3
117.03462	1.7
122.88609	0.1
127.04023	0.4
134.03737	16.8
135.04109	0.3
137.02438	4.5
149.06056	1.3
155.03494	4.2
173.04541	100.0
174.04893	2.0
178.02632	0.1
191.05641	1.2
191.34218	0.1
193.05042	14.8
194.05405	0.4
257.89655	0.1
300.69672	0.1
312.22797	0.1
367.10291	39.8
368.10617	2.0
434.22195	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	832.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18949	0.2
59.39534	0.2
61.98830	100.0
62.09436	0.2
70.60265	0.5
78.91887	0.3
79.57839	0.2
124.50383	0.2
126.13568	0.2
133.13850	0.2
191.05664	0.3
207.10237	0.2
209.11806	0.4
218.47130	0.3
332.01828	0.2
694.58240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98829	100.0
62.41343	0.2
62.98553	0.2
69.59357	0.5
69.59724	0.4
71.01415	0.4
74.54139	0.2
76.81847	0.2
87.00857	0.2
89.02466	0.2
92.37323	0.2
96.96035	0.3
111.37563	0.2
113.02512	0.3
116.92890	0.3
134.98116	0.2
156.93275	0.3
191.05695	0.4
207.10396	0.2
209.11929	0.7
238.23192	0.3
253.09290	0.3
554.48615	0.2
751.71552	0.2
839.20648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
61.91914	0.2
61.98817	0.2
69.14214	0.3
69.14622	0.7
69.49484	0.2
70.19717	0.1
71.01374	1.2
85.02934	0.3
87.00858	0.2
89.02462	0.9
96.96000	0.2
98.21929	0.3
101.02426	0.8
106.06585	0.2
113.02437	0.4
115.03989	0.8
119.03457	0.3
121.02989	0.2
124.11466	0.2
132.04515	0.3
134.06096	1.4
146.06194	0.3
152.07152	0.3
158.02470	0.9
159.02972	1.7
159.05620	0.3
190.05093	3.1
191.05551	0.3
192.06633	0.3
198.09233	2.2
202.08696	0.4
209.11809	0.4
212.05908	0.7
212.10745	0.3
213.06622	0.3
214.08743	0.4
223.08760	0.5
225.06747	0.4
225.11250	0.2
226.07454	1.6
226.29294	0.2
227.07849	0.2
228.08989	3.1
239.11885	12.1
240.12202	0.6
241.09808	75.3
242.10185	2.8
243.11388	1.4
255.11365	1.4
256.12155	45.3
257.12402	1.9
263.08484	0.2
271.14365	0.2
300.11139	9.6
301.11411	0.4
309.08817	0.3
314.12561	0.3
315.13483	100.0
316.13763	4.8
322.09161	0.2
323.10391	0.3
323.13824	0.3
330.16147	0.2
337.11966	3.1
338.12546	0.5
339.13055	0.2
356.13940	0.2
398.14981	0.5
517.18250	16.7
518.18652	2.0
671.36414	0.2
725.28314	1.1
757.31067	1.6
789.34894	0.2
833.32220	2.6
834.33698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98827	100.0
64.27084	0.2
73.02941	0.2
75.44320	0.2
82.92537	0.1
100.89865	0.2
116.92872	0.7
161.06146	0.2
191.05637	0.3
209.11896	0.3
214.52798	0.2
250.71432	0.2
380.28409	0.2
764.73956	0.2
828.11841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98828	100.0
63.51427	0.1
68.81734	0.1
70.96219	0.1
71.01395	0.2
72.36831	0.1
98.47791	0.1
109.06611	0.1
191.05650	0.2
209.11826	0.3
328.01117	0.1
511.82217	0.1
586.31525	0.1
785.47284	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
60.48433	0.3
61.98827	100.0
63.16303	0.3
71.01395	0.6
71.43349	0.4
77.26466	0.3
78.91890	0.9
78.95930	0.4
79.23021	0.3
88.97605	0.3
96.96040	1.1
128.53629	0.3
131.18156	0.3
131.64342	0.3
150.46869	0.3
209.11952	0.4
274.01019	0.3
397.13889	0.5
453.09012	0.4
511.63687	0.3
714.31012	0.7
849.46185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	0.5
59.01378	8.9
60.76716	0.3
64.29630	0.3
67.01887	1.0
71.01385	2.6
73.02930	0.5
74.23689	0.3
78.95931	0.4
83.01357	0.5
85.02940	1.0
87.00863	0.8
89.02441	2.6
93.03442	0.9
95.05005	1.0
101.02412	1.7
103.86187	0.3
108.04511	0.6
113.02457	1.3
119.03474	0.9
120.04556	3.1
121.05338	1.8
122.06122	6.5
130.02950	0.5
130.50285	0.3
132.04550	0.6
134.06131	2.5
135.04506	0.5
135.06844	1.2
136.07678	13.9
139.04051	0.4
143.03540	0.4
146.06091	0.4
148.04068	0.5
150.05560	1.0
158.02431	1.8
161.07196	1.3
162.05583	0.7
171.11794	2.3
173.04526	0.6
176.03477	0.8
186.09219	0.8
190.05093	9.3
191.05617	3.6
192.06767	0.7
198.09251	1.8
199.10011	2.3
209.11893	0.7
212.10747	0.6
214.07578	0.5
214.12375	12.5
215.12766	0.6
226.07463	0.9
227.08203	2.1
228.08968	1.2
229.09818	4.6
230.09895	0.4
230.11902	4.0
239.11884	0.5
241.09811	7.9
242.10614	19.4
243.10947	0.8
256.12094	0.8
257.12955	90.7
258.13306	2.8
283.10748	0.6
301.11929	100.0
302.12283	3.8
321.08875	0.5
323.10400	0.4
325.08371	0.5
325.11868	0.4
335.10382	0.8
339.09760	0.5
353.11533	3.5
354.11853	0.5
515.16687	1.1
533.17731	38.8
534.18347	4.3
731.26410	0.4
773.29785	0.5
791.31964	0.6
803.28082	1.1
817.29718	1.0
827.25885	0.4
835.30493	5.1
836.31439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81474	1.0
59.01380	35.0
69.15194	5.5
71.01380	17.1
71.31400	1.0
73.02934	2.0
80.05033	1.7
80.11713	1.0
82.69440	1.0
83.01357	1.6
85.02952	4.5
87.00868	1.1
89.02436	11.0
93.03407	1.8
95.01381	1.3
101.02446	8.7
104.05100	1.0
106.06600	6.1
113.02434	4.5
119.03500	2.9
120.04501	1.2
122.06091	7.6
130.06670	1.7
132.04572	2.7
134.06120	25.7
146.06114	1.9
148.04097	1.5
152.07159	5.1
160.04025	1.0
160.06299	1.5
173.04556	3.9
180.06619	2.2
188.07179	1.6
190.04997	1.4
191.05591	2.0
209.11876	6.1
211.08789	1.9
213.10362	7.2
223.08810	1.5
225.10330	3.1
227.12151	1.0
237.10271	3.0
239.11995	5.9
241.13434	4.5
249.10281	3.0
250.07344	1.5
251.08160	3.3
251.11826	2.9
252.09079	2.2
253.09796	3.5
263.08240	3.3
264.08887	1.8
265.09766	4.2
267.11322	3.0
277.09790	4.4
278.07141	1.4
278.10553	5.2
279.07715	4.9
279.11105	5.2
285.12408	11.8
290.10675	1.3
291.11478	2.4
292.08466	2.7
293.09274	8.4
293.12244	1.4
294.09995	4.1
295.10828	5.6
296.11075	1.2
305.09247	3.0
307.10849	5.9
309.12366	2.1
310.88275	1.0
314.12396	1.8
321.08780	2.9
333.08655	1.3
334.42804	1.2
337.08212	2.7
339.09796	3.0
351.09875	2.6
358.15475	3.4
370.15997	1.6
385.14117	1.7
396.13290	1.5
398.15012	3.1
400.16501	6.2
410.14920	1.5
412.16687	3.8
414.18106	1.5
424.16623	1.2
425.17215	2.4
426.14551	1.5
438.19666	1.2
442.17484	1.4
444.15570	1.2
486.16898	2.6
620.22314	3.4
621.23187	1.8
638.23285	6.1
648.22003	3.2
649.22424	2.4
666.12427	2.1
666.22998	26.3
680.24402	2.8
712.27313	10.6
727.29596	5.4
771.28796	47.3
772.29041	7.4
803.31445	100.0
804.31940	12.0
835.33887	24.4
835.48206	2.1
836.34491	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	835.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	36.3
60.11166	1.3
69.46137	6.2
71.01379	19.3
73.02949	2.0
85.02943	6.6
87.00876	2.2
89.02431	11.6
92.20522	1.4
93.03462	6.2
98.22627	3.2
99.00838	1.6
101.02450	11.3
106.06626	4.5
113.02457	5.7
116.07144	2.4
119.03526	4.7
119.04976	3.6
122.06123	7.4
132.04572	1.9
134.06116	27.1
142.05113	11.0
143.05493	1.6
147.68791	1.6
152.07156	5.4
160.06168	13.1
161.06535	2.2
173.04573	2.9
188.07201	2.2
190.05080	2.6
191.05592	9.9
209.11823	25.0
211.08746	2.3
213.10332	5.4
225.10219	2.7
227.12891	2.9
237.10341	2.2
239.11845	4.2
241.13445	3.8
249.10316	3.6
251.08389	2.1
251.11606	2.1
252.09001	2.1
253.09779	4.5
263.08261	2.9
265.09778	3.9
267.11334	4.2
277.09683	4.6
277.27921	1.8
278.07080	2.9
278.10364	3.7
279.07901	3.5
279.11328	4.8
285.12463	7.7
292.08325	1.8
293.09274	8.2
294.10025	2.1
295.10828	6.3
301.11908	2.6
307.10657	7.7
309.12399	2.0
321.08734	1.7
339.09882	4.9
351.09836	2.5
384.13193	3.3
397.13690	4.9
400.16614	5.3
412.16901	2.6
486.16949	3.3
620.22894	1.9
638.23364	5.1
666.22882	26.4
698.26282	1.7
712.27264	5.7
727.29865	3.3
743.29834	1.9
771.28882	39.6
803.31396	100.0
804.31671	4.6
835.33923	30.9
836.34753	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	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.6
59.67945	0.2
61.98824	0.5
68.99805	0.3
69.03452	0.6
71.01382	7.9
71.05021	0.5
72.99287	0.3
73.02940	1.6
75.00826	0.3
78.53050	0.3
79.78079	0.2
79.78557	0.2
80.02672	1.7
81.03452	2.2
82.95395	0.4
83.01369	1.0
83.05028	5.6
84.02166	0.9
85.02940	2.3
87.00864	2.1
88.74606	0.2
89.02446	6.8
93.03455	2.1
95.01385	1.1
95.05035	0.8
96.96004	1.7
97.02964	1.2
98.21841	0.4
99.00916	0.6
99.04511	1.5
101.02444	6.5
105.68691	0.3
109.02926	0.5
109.06549	0.3
111.04533	0.5
112.98522	0.3
113.02444	3.5
115.03987	1.1
116.92858	0.3
119.03498	2.0
121.28820	0.2
125.02438	2.8
125.06073	0.5
126.90482	0.2
135.04527	0.7
135.08154	0.7
137.02434	0.4
139.03992	0.7
141.05611	0.3
143.03499	5.7
151.03964	0.3
159.03001	0.8
161.04559	5.3
163.11307	3.4
165.12839	2.8
171.10263	0.7
173.04576	1.5
177.09171	0.3
179.03467	0.3
179.04152	0.2
179.05569	1.7
181.12352	0.7
191.05566	1.7
191.10829	1.2
202.99484	0.2
204.19069	0.2
209.11823	100.0
210.12155	3.0
221.06615	0.7
223.13507	0.3
225.11346	0.3
227.12881	14.8
235.08211	2.9
247.13441	0.4
251.12866	0.3
253.09225	0.3
263.85428	0.2
267.66190	0.3
287.07681	1.0
305.08817	1.1
323.09665	0.3
372.33167	0.3
379.12457	2.8
397.13492	19.7
398.13965	0.7
415.14594	4.4
520.24097	0.3
589.24744	0.6
607.25714	1.5
673.37439	0.3
692.44104	0.3
799.37103	0.7
803.31195	0.3
835.32593	0.4
836.34973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87384	0.2
59.01379	11.9
61.98803	0.3
69.03453	0.7
71.01381	8.3
72.99294	0.2
73.02937	1.3
80.02657	1.1
81.03450	2.0
81.09474	0.2
83.01387	0.9
83.05025	5.6
84.02164	0.8
85.02947	2.0
87.00887	1.7
89.02441	7.2
90.22736	0.2
93.03442	1.0
95.01362	0.8
95.05022	0.6
96.96003	0.7
97.02956	1.3
99.00863	0.4
99.04503	0.9
101.02437	5.5
109.06587	0.3
111.04489	0.3
113.02456	3.6
113.06049	0.3
115.04011	0.9
116.96369	0.2
119.03495	2.0
121.02944	0.3
125.02451	2.6
125.06082	0.5
131.03433	0.3
135.08128	0.6
139.04015	0.4
143.03493	5.0
147.04454	0.2
147.11809	0.4
149.04495	0.2
151.04077	0.3
161.04556	6.0
163.11285	4.5
163.60678	0.3
165.12825	2.1
167.03545	0.3
171.10307	0.7
173.04498	0.3
179.05592	1.9
181.12286	0.5
191.05634	0.5
191.10773	1.2
199.06172	0.3
199.13443	0.3
209.11819	100.0
210.12120	1.8
217.07048	0.4
221.06648	0.9
227.12881	17.0
235.08203	3.4
247.13423	0.6
251.12787	0.5
253.09280	0.6
259.08618	0.2
263.07849	0.3
287.07742	0.7
305.08701	0.9
323.09863	0.7
379.12418	2.8
397.13486	21.6
398.14029	0.4
415.14496	6.0
415.20032	0.3
589.25055	0.7
607.25793	1.3
799.37402	0.7
817.38062	0.5
835.41583	0.5
836.36493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.8
69.27782	1.0
71.01374	2.6
73.02940	3.4
77.45797	0.2
83.01372	0.8
84.33295	0.3
85.02923	0.5
89.02438	0.6
101.02428	2.1
113.02427	1.5
131.03731	1.0
143.03534	0.2
144.04549	4.4
146.06107	100.0
147.06458	1.8
149.04564	0.5
161.04553	1.5
162.02377	0.2
165.02043	0.2
165.05550	0.3
189.74287	0.2
190.05080	16.3
191.05533	0.5
195.06650	0.4
209.08072	0.3
221.06566	0.3
228.33359	0.2
287.23230	0.2
308.11401	2.1
352.10330	53.4
353.10645	2.1
421.14960	0.2
466.13196	0.4
583.23901	0.2
631.48700	0.2
742.73004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	69.9
60.99298	2.7
61.98828	2.1
67.01904	5.7
69.03431	1.9
69.53028	3.5
71.01379	13.3
73.02939	6.9
78.13553	0.8
81.03466	2.0
83.01369	1.8
83.05028	2.2
85.02960	4.7
87.00866	9.0
89.02447	5.0
93.03451	50.3
94.03799	1.3
96.96004	9.8
97.02924	1.1
98.21931	1.9
99.00868	2.8
99.04542	1.1
101.02436	7.8
108.02168	4.6
109.02950	2.4
111.04526	6.2
113.02440	4.9
116.92878	1.3
119.03537	1.8
121.02959	1.9
122.03667	1.7
124.01661	6.4
125.02462	3.4
126.03139	1.5
127.04028	1.8
129.01888	1.2
131.03481	1.8
132.02223	1.2
133.02945	6.9
134.03735	18.3
135.04524	100.0
136.05339	10.8
137.02446	3.2
139.04002	1.5
143.03491	3.3
150.03198	3.3
151.04002	13.3
155.03477	2.9
160.01633	1.4
161.02437	1.8
161.04561	3.5
162.03198	2.0
173.04543	61.5
174.04915	1.2
177.01912	2.3
178.02646	2.8
179.03485	22.5
180.04178	3.5
191.05605	27.9
192.05937	1.1
201.11299	1.1
209.11835	8.6
210.12108	2.7
221.08160	1.6
227.12910	1.9
257.08286	6.0
275.09204	7.5
290.08145	1.7
301.16455	2.5
306.07263	1.1
307.08163	8.7
308.09018	22.3
343.17310	1.8
349.91751	1.0
351.06961	1.4
352.07968	61.1
353.08453	2.2
363.20016	1.0
397.13239	1.6
449.14511	67.5
450.14792	2.5
522.24066	1.6
666.22125	1.1
698.25897	1.3
758.09760	1.1
761.10590	1.0
801.29370	1.4
837.35901	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	837.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	1.0
65.20986	0.5
69.03459	1.0
69.49123	2.0
71.01383	18.9
73.02943	46.0
73.39120	0.5
75.00838	0.5
76.53559	0.5
83.01390	9.5
85.02954	4.3
86.14404	0.6
89.02440	4.7
95.01426	1.1
97.02930	0.7
98.21858	0.9
99.00872	1.0
101.02441	32.6
113.02448	13.2
119.03510	4.5
125.02457	1.1
131.02687	0.7
131.03484	3.4
143.03503	5.0
149.04559	9.6
155.03549	1.2
161.04562	18.5
164.77151	0.5
172.03619	0.6
177.57460	0.5
203.05638	1.4
221.06660	9.2
221.08650	0.8
255.23772	0.6
311.15097	2.6
353.16080	2.2
466.28659	0.5
770.49060	0.7
824.93689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.51200	0.3
60.01711	0.7
60.66846	0.3
69.03452	2.8
71.01381	12.6
73.02942	4.5
73.62825	0.3
83.01385	2.3
83.05042	0.3
85.02949	6.4
87.00897	0.5
89.02447	3.0
93.03459	0.8
95.01426	0.6
96.34359	0.3
96.96046	0.5
97.02988	0.5
99.00880	1.5
101.02442	11.8
101.03104	0.6
109.85791	0.3
111.00913	0.3
112.07709	0.3
113.02448	22.8
114.02782	0.4
119.03521	1.1
122.06178	0.4
123.08160	1.8
136.07729	0.7
137.09726	1.0
143.03540	1.0
145.06209	0.5
159.02989	1.6
161.04552	9.0
163.11304	1.6
168.81230	0.3
173.04564	0.7
177.01874	0.4
179.05618	2.4
189.12852	3.6
191.05649	1.5
193.05052	0.4
202.12262	0.5
207.13910	4.7
214.12296	0.3
222.05687	0.3
225.14960	1.7
227.03699	0.6
232.13635	0.4
245.13037	0.6
249.13428	17.9
250.13933	0.6
255.03081	1.0
257.13086	1.2
275.14117	1.2
283.02509	0.9
284.03293	1.3
285.04074	2.7
291.14496	12.7
301.12244	0.3
319.12949	5.7
335.13562	0.4
387.20200	11.0
388.20792	0.5
431.19336	1.1
447.09344	2.0
501.23401	6.6
517.18115	1.6
561.12347	1.7
609.14825	0.8
837.33014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.3
61.98829	96.6
65.57424	3.7
68.62656	4.0
71.01383	8.6
83.05048	6.3
85.02921	6.0
87.00918	4.4
89.06477	4.1
93.03459	6.5
96.96015	14.5
97.06598	4.3
101.02433	6.7
102.99825	4.1
109.06602	15.2
113.02448	10.4
116.92853	13.9
134.89482	17.9
135.08212	5.0
137.06110	4.2
163.11220	7.4
163.86478	4.2
191.05594	10.6
207.10252	37.4
209.11835	100.0
225.11320	17.1
227.12935	21.9
235.08237	9.7
244.16284	3.7
253.09254	10.2
287.16254	7.0
305.17535	9.5
445.20840	6.3
461.20303	9.1
635.30603	39.0
653.31683	41.3
654.33398	7.7
671.32678	59.1
672.33289	11.4
704.36322	7.1
751.38989	15.3
837.40594	38.4
838.40497	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	838.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
68.05059	2.3
69.42052	1.4
71.01384	0.4
71.05016	4.4
73.02940	3.0
80.05063	0.4
83.04985	0.6
84.04523	0.5
85.02944	2.3
87.04501	0.5
92.56814	0.3
93.07039	0.4
95.05034	0.7
96.04597	0.3
97.02933	0.7
101.02477	0.3
102.15379	0.3
109.02981	0.5
110.06104	0.7
111.04441	0.5
112.01661	6.3
112.04037	0.4
113.02444	17.0
115.04005	3.7
120.08183	0.5
121.06618	1.7
122.03728	0.8
122.09739	2.0
123.04523	3.1
125.02443	0.5
127.04010	6.2
134.09785	0.4
135.04530	0.7
137.06064	2.8
139.00325	0.3
139.04037	2.2
141.01926	0.9
144.00610	1.9
148.07675	1.9
150.03572	0.4
154.08844	0.3
163.07509	0.4
164.07127	0.5
165.05554	1.3
166.08733	3.9
167.03465	1.0
184.09763	0.5
189.09320	0.3
190.12370	0.4
204.10312	3.2
206.11842	1.9
216.17548	0.5
220.13432	0.6
240.13902	0.5
242.15599	0.5
250.14488	0.6
258.14941	0.9
260.16547	4.5
276.15927	1.7
278.17593	6.3
279.10809	0.4
279.17896	0.4
286.14709	0.3
297.11374	0.3
302.13962	4.1
304.15500	3.7
316.15512	0.6
318.17160	2.9
320.15009	1.6
322.16559	29.5
323.16888	0.8
330.20700	0.5
334.16449	1.3
350.19778	0.9
356.18704	1.0
374.19635	0.4
388.21286	0.5
400.17563	1.0
406.22263	1.6
418.18762	0.8
432.20242	6.2
450.21280	100.0
451.21588	4.3
452.22229	0.4
691.66522	0.3
724.47540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01708	0.9
61.98828	0.5
62.28314	0.2
69.03468	0.5
71.01376	9.7
71.43513	0.3
73.02941	3.4
83.01373	1.3
85.02946	3.6
85.22696	0.2
85.78970	0.3
87.00910	0.2
89.02445	1.8
93.03493	0.3
95.01399	0.4
97.02985	0.5
98.98672	0.2
99.00907	0.7
101.02437	5.4
109.55335	0.3
112.21207	0.2
113.02438	3.2
119.03493	0.6
125.02492	0.6
131.05049	0.5
133.06616	0.5
135.04552	0.5
141.12668	0.3
141.54472	0.2
143.03526	0.5
149.04562	0.3
151.11320	0.3
159.03030	0.3
161.04539	2.9
165.34035	0.2
179.03525	0.4
191.05673	1.0
202.19118	0.2
203.03728	0.6
203.05580	5.4
203.07370	0.4
204.06102	0.2
209.15576	0.8
218.05904	0.6
233.08308	0.9
337.13068	0.3
353.19666	3.9
354.19946	0.3
371.20767	4.8
372.20956	0.3
379.19510	0.2
413.21771	12.2
414.22488	0.4
563.17584	4.8
564.18414	0.7
756.67462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.61720	0.3
60.01729	0.5
61.98817	0.3
69.03443	2.0
69.16324	1.9
71.01380	28.5
72.99316	0.8
73.02943	75.7
74.03259	0.6
75.00877	0.9
81.03452	0.9
83.01383	15.6
85.02946	6.0
87.00882	1.2
88.81839	0.4
89.02441	8.1
93.03451	0.6
95.01377	2.1
96.90807	0.3
96.95988	0.8
97.02955	1.1
99.00882	0.7
101.02438	47.3
102.02785	0.7
113.02445	16.8
114.93407	1.0
115.04012	0.4
116.92840	0.6
119.03514	5.4
125.02460	1.8
131.03502	5.4
133.01454	0.9
137.02484	0.3
143.03496	4.8
147.03030	0.4
149.04552	9.6
155.03488	2.1
161.04556	15.8
179.96663	0.3
191.05580	1.5
192.05695	0.3
203.05556	2.0
209.11823	0.9
221.06659	5.8
224.97546	0.3
379.01135	0.3
611.32611	0.5
621.34918	0.5
711.72180	0.4
755.64301	0.4
790.86804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	9.7
61.98826	84.1
69.05888	38.5
71.01386	8.5
74.23150	5.5
77.01286	5.9
93.03429	8.9
96.96037	12.8
98.22594	15.7
116.92825	9.9
137.02417	7.5
141.29419	5.3
171.10263	6.5
191.05661	19.8
197.11801	10.9
207.10184	7.2
209.11845	100.0
227.12885	28.8
227.38052	6.4
237.14960	19.6
253.09180	12.6
289.17947	7.7
307.19159	12.8
325.20145	36.2
445.20560	16.4
543.28387	7.1
585.29962	6.8
727.29510	6.5
753.40692	14.8
771.42377	6.8
839.42157	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38502	0.5
69.53046	2.2
75.52684	0.7
79.91615	0.5
93.03465	1.3
95.99850	0.7
97.02938	0.9
98.22696	0.6
108.02195	0.7
109.02946	1.7
113.02475	0.6
121.02939	2.0
122.03725	3.5
123.04470	1.5
125.02399	1.3
133.02928	1.4
134.03731	45.8
137.02452	4.9
139.03981	1.6
143.77415	0.6
149.02419	4.6
149.06061	12.7
150.03210	29.5
151.03616	0.5
151.64468	0.8
164.04797	1.0
165.05559	36.5
166.05882	0.9
175.03955	0.6
178.02702	24.9
180.04239	2.8
193.05043	100.0
194.05389	1.4
195.06604	20.1
203.07047	0.8
239.07266	0.7
245.08153	0.6
285.11353	0.9
289.07220	5.0
341.10364	2.7
389.12375	35.9
390.12610	1.4
406.22565	0.7
433.22028	1.3
551.17651	33.4
552.17914	1.7
666.84259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	11.5
69.82296	12.1
69.82617	20.7
75.15720	9.5
75.59568	8.1
85.00433	12.5
86.92300	8.7
98.22593	9.4
99.92593	19.3
116.25549	8.9
116.92854	100.0
117.92876	37.2
118.92639	23.2
140.53267	9.0
146.47298	10.0
152.83148	9.5
253.09467	8.8
289.34363	9.3
293.21225	47.0
339.14432	10.5
451.81485	9.0
616.13403	9.2
841.48730	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	845.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
63.61289	0.5
67.01889	0.9
67.73630	0.5
69.16105	2.2
69.16528	1.1
71.01385	2.1
73.02969	0.6
75.86757	0.5
83.05045	0.8
85.02934	3.1
89.03978	1.6
89.83315	0.5
93.03465	4.1
97.39242	0.5
99.90115	0.6
101.02460	0.8
111.04521	2.9
115.00396	0.6
117.03467	5.5
121.02973	1.2
122.91309	0.5
134.03738	92.7
135.04005	0.6
137.02414	1.0
149.06071	7.1
153.05576	1.4
155.03545	2.8
168.45457	0.5
173.04562	9.5
177.99525	0.5
191.05605	29.1
193.05051	100.0
194.05392	0.9
197.04518	4.0
209.05750	0.6
211.90910	0.5
216.28607	0.6
260.90686	0.6
367.10303	49.5
368.10471	1.0
683.25220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	44.2
71.01382	31.3
72.99306	0.6
73.02950	1.8
74.55697	0.6
82.08032	0.4
83.01394	1.4
85.02951	6.0
87.00876	1.9
89.02444	33.4
90.02699	0.5
95.01382	1.5
99.00889	0.5
101.02444	17.8
107.43521	0.5
113.02448	16.7
117.46072	0.5
119.03508	8.1
125.02454	1.4
131.03535	2.3
143.03516	4.2
149.04556	1.1
161.04553	4.1
179.05603	11.3
196.52167	0.6
232.62372	0.6
323.09814	8.9
341.11072	2.4
470.30612	0.5
503.16150	100.0
504.16437	5.2
600.35114	0.5
612.96838	0.7
652.27124	0.5
729.24701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.15045	0.7
76.10006	0.8
78.95876	0.9
88.46994	0.8
116.92915	1.0
120.86967	0.8
357.53879	0.9
383.70911	0.8
442.92151	0.8
454.71381	0.8
782.51855	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	848.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.15816	0.2
62.32077	0.2
69.03455	3.7
71.01378	9.9
73.02940	3.4
75.00876	0.2
81.03457	0.7
81.54564	0.2
83.01382	1.2
85.02946	4.8
87.00858	0.3
89.02430	0.7
93.03454	0.6
95.01364	1.0
97.02950	0.3
98.00095	0.3
98.22623	0.3
99.00864	1.2
101.02438	6.0
106.04232	2.3
107.05032	1.0
109.02954	0.2
113.02445	21.6
119.03488	0.3
119.05016	3.0
121.02894	0.3
121.20694	0.2
123.04504	0.2
125.02445	0.8
135.04489	0.3
137.06076	100.0
138.06419	1.3
139.03999	0.5
143.03482	0.8
159.02951	1.3
161.04549	22.7
162.04863	0.3
165.09160	0.7
191.05574	0.2
205.03583	0.3
221.08192	0.3
234.97998	0.2
264.82437	0.2
264.86038	0.2
299.11334	26.9
300.11719	0.4
302.17645	0.2
340.19058	0.2
358.20132	0.3
358.89221	0.2
372.21606	0.2
390.23227	0.2
407.07477	0.4
413.14499	6.3
414.14804	0.2
416.20514	0.2
434.21841	5.6
435.21964	0.2
842.12823	0.2
848.88641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.78703	0.4
94.70905	0.3
94.92500	0.4
96.96019	1.0
210.25789	0.3
699.19403	0.3
847.14148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98518	0.2
62.99240	0.1
63.99252	0.5
70.04747	0.2
71.01392	0.1
98.21910	0.2
173.04570	0.2
191.35677	0.1
201.38875	0.1
207.10283	0.1
209.11879	0.4
311.59900	0.1
407.17941	0.1
455.63550	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.18905	0.3
69.27893	1.3
74.40414	0.3
87.90068	0.3
92.92815	0.3
96.96013	0.3
98.22643	0.4
171.26932	0.2
225.11429	0.3
238.31497	0.3
300.05316	0.3
400.14850	0.3
512.75110	0.3
516.77087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98828	100.0
65.01683	0.4
69.71780	0.3
71.01393	1.2
87.00799	0.4
92.92831	1.6
93.25432	0.4
94.92522	1.0
96.96012	1.6
111.19678	0.3
133.22833	0.4
171.45901	0.4
209.11876	1.1
322.49896	0.4
359.11298	0.4
520.69226	0.4
544.18097	0.4
673.69611	0.4
780.52716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.89778	0.7
61.98836	1.2
66.69376	0.6
69.03458	4.8
71.01380	40.5
73.02946	22.3
74.19378	0.7
75.00877	4.9
81.03473	1.0
81.67973	0.7
83.01388	7.0
85.02947	30.7
87.00890	2.1
89.02443	14.0
95.01391	12.7
95.43781	0.6
96.96022	1.0
97.02981	2.0
101.02443	54.0
113.02449	79.4
116.92876	2.5
119.03495	9.8
125.02425	0.9
131.01372	0.7
131.03506	12.4
134.30801	0.7
134.98067	0.7
143.03513	9.4
147.03020	2.0
148.05307	74.9
149.04555	16.5
149.05615	1.0
161.03218	1.5
161.04559	31.6
163.07651	71.6
183.64554	0.7
191.05611	0.9
203.05708	2.3
221.06660	13.0
309.90594	0.8
631.88293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	0.7
59.01377	13.9
67.01906	0.6
69.03456	15.7
69.08518	1.2
69.08923	1.1
71.01381	21.2
73.02953	6.1
75.00877	0.4
81.38296	0.4
83.01373	1.7
83.05034	0.5
85.02947	8.9
87.00888	0.7
89.01924	0.8
89.02439	8.4
95.01384	1.2
97.02937	0.6
98.00063	0.9
99.00867	1.9
101.02438	13.9
106.35909	0.4
111.01000	0.4
113.02447	100.0
114.02798	0.6
118.96574	0.4
119.03500	3.6
123.08154	9.0
128.07237	0.4
131.03481	0.5
135.04466	0.4
137.09718	3.3
143.03531	1.9
144.21034	0.4
159.03006	2.0
161.04558	21.7
161.09688	0.5
163.03989	0.6
163.11269	8.3
173.09731	0.8
179.05617	7.7
189.12845	13.5
191.05606	1.4
205.08681	0.8
207.13887	18.5
208.14256	0.5
225.14941	7.0
235.11839	12.1
349.15018	4.4
387.20215	48.8
388.20584	1.6
431.19016	2.1
476.11115	0.4
501.23422	28.3
502.23883	1.7
622.72858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03075	0.2
69.03458	5.6
71.01379	2.1
72.69044	0.2
73.02937	0.6
85.02940	1.4
90.79727	0.2
93.03448	0.3
96.96007	0.5
98.00078	0.5
101.02454	0.6
109.02939	0.9
113.02448	20.2
113.74456	0.3
121.02938	0.3
123.00876	0.6
125.02420	0.3
137.02443	4.0
139.04030	0.3
149.02495	0.3
151.00360	7.4
151.04005	0.7
152.01102	0.5
152.04755	1.4
153.02057	0.3
155.03487	0.2
161.04558	1.1
163.03993	0.2
165.01930	0.3
165.05592	0.3
166.02708	32.2
167.03424	1.5
175.04041	0.5
177.01926	1.0
181.05057	52.7
182.05470	1.2
189.05644	0.4
190.06296	0.3
191.03569	0.2
191.05519	0.6
192.04315	0.6
195.02899	0.4
199.09755	0.3
205.05017	0.4
205.08626	1.1
206.05693	0.4
207.06572	0.7
219.06480	0.4
246.43248	0.2
301.07166	0.3
341.10388	0.2
356.12537	0.3
357.10104	0.4
359.11264	0.8
387.10849	7.7
388.11371	0.6
402.13168	8.8
403.13470	1.2
417.15524	100.0
418.15842	4.1
511.82303	0.3
579.20856	9.4
580.21173	0.8
855.29724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99501	0.6
69.03460	3.5
69.38761	3.4
71.01379	28.9
73.02953	4.2
78.33117	0.6
83.01387	2.1
83.05035	0.9
85.02949	9.1
87.00867	1.5
89.02444	27.9
92.54762	0.7
93.03461	0.7
95.01384	1.5
99.00880	1.4
101.02444	18.5
102.82539	0.7
110.03383	0.6
112.05297	1.3
113.02444	25.9
114.48936	0.7
119.03503	9.4
131.03476	1.6
134.07355	1.8
135.08173	0.7
137.09708	1.5
138.01915	0.7
139.07692	2.5
143.03503	3.1
149.04564	1.4
149.09715	25.2
153.09198	6.4
159.03081	0.8
161.04558	7.7
167.10771	34.6
168.11081	0.9
173.04510	1.1
173.51610	0.7
179.05600	11.9
191.05585	1.9
207.13904	1.8
209.11952	0.8
225.14957	5.3
243.16000	3.9
249.13440	6.1
291.14453	2.4
405.21262	100.0
406.21765	4.1
467.46719	0.8
519.24463	34.3
520.24615	1.5
842.90576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	24.0
66.71390	3.3
69.83073	3.8
70.74764	3.6
71.01385	25.6
79.17008	3.4
82.95415	50.6
85.00467	5.1
96.96012	7.4
98.26402	3.6
103.01496	5.1
109.06596	7.1
116.92876	8.3
131.06062	3.6
171.10268	10.8
178.89757	8.0
186.09824	3.4
199.09760	13.4
207.10236	12.0
209.11821	100.0
225.11340	10.8
227.12901	26.4
235.08252	6.4
253.09247	11.9
305.75751	3.9
310.21207	3.9
311.21155	5.0
461.20337	7.6
609.28705	5.2
627.30457	10.0
645.31439	5.0
653.32068	6.4
671.32813	11.0
855.41351	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	857.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12254	0.2
66.72515	0.2
69.46569	0.2
69.84518	0.4
69.84866	0.4
71.01380	0.3
78.66284	0.2
81.03442	0.2
81.64894	0.2
83.05011	1.0
85.02971	0.4
89.03965	1.7
90.56178	0.2
93.03461	2.1
106.04238	0.4
111.04530	2.4
117.03474	7.2
127.04083	0.2
129.01927	0.4
134.03745	81.8
135.04036	1.3
137.02448	0.6
149.06087	7.4
155.03508	2.7
165.31084	0.2
173.04556	4.4
178.02734	0.2
191.05630	4.5
193.05060	100.0
194.05374	2.3
239.76622	0.2
256.22021	0.2
367.10327	53.4
368.10632	1.7
684.16473	0.2
750.94238	0.3
888.47522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03485	0.7
69.03458	5.4
71.11295	0.9
71.11626	0.9
71.26929	0.7
73.17932	0.8
85.02953	1.0
93.03478	3.7
96.96020	1.2
113.02448	12.2
121.02962	8.4
122.03750	11.8
123.04536	1.5
127.00657	0.8
133.02954	1.8
135.04529	6.3
136.01663	15.0
137.02490	2.2
149.02440	18.7
149.06050	1.7
150.03224	75.1
151.00377	3.1
151.04021	18.3
152.01181	1.5
159.46060	0.8
161.06084	1.6
162.03230	1.1
163.03979	1.2
164.04723	4.6
165.05565	73.1
166.02719	11.3
166.05911	1.0
167.03464	2.4
172.05266	1.6
175.04024	2.6
175.07663	1.2
177.05620	2.2
179.07088	1.0
180.01787	1.1
180.04305	4.9
181.05052	15.7
189.05568	2.6
190.06374	6.0
195.06619	37.3
221.08247	1.2
271.44791	0.8
297.07602	1.3
315.08810	1.8
329.10361	3.8
341.13953	0.9
342.11111	2.0
356.12589	2.3
357.09741	3.3
357.13489	5.6
372.12158	3.4
373.12769	1.1
386.13553	1.0
387.14459	26.6
388.03384	0.9
505.18771	3.5
535.19727	41.4
536.19916	1.8
565.20807	5.2
583.21832	100.0
584.22296	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	859.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61066	1.3
69.03451	5.2
69.21410	2.5
69.21814	5.3
73.80093	1.4
83.80507	1.2
93.03430	2.9
113.02448	14.2
121.02955	8.4
122.03750	11.9
135.04497	8.3
136.01642	12.0
137.02470	2.7
147.04543	2.4
148.05280	6.9
149.02429	21.6
149.06017	1.6
150.03223	72.8
151.00409	1.8
151.04016	19.4
162.03252	2.2
163.03978	2.3
163.07655	5.9
164.04828	3.6
165.05559	76.5
166.02696	10.4
172.05292	2.6
175.03943	4.4
177.05452	2.5
180.04286	6.0
181.05051	16.0
189.05542	2.3
190.06377	5.6
191.05579	1.5
195.06607	40.5
282.05371	2.3
308.29333	1.7
329.10242	2.5
342.11172	2.2
346.94348	1.5
356.12842	2.1
357.09760	4.4
357.13675	3.1
372.12003	3.6
375.66998	1.5
387.14453	33.8
481.49500	1.4
505.18350	2.3
535.19830	44.1
565.20801	3.2
583.21844	100.0
584.21869	4.1
593.43414	1.6
745.27118	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	861.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32248	0.6
64.46951	0.6
69.03446	3.6
71.01382	23.6
73.02950	2.3
83.01384	0.8
85.02951	3.9
87.00874	1.4
89.02443	26.9
90.26752	0.6
90.89211	0.6
93.03474	1.1
95.01385	1.0
98.21813	1.6
99.04542	0.8
101.02439	14.0
107.05010	1.7
113.02452	23.1
115.04002	1.3
119.03501	10.2
121.02930	1.4
127.65212	0.7
131.03496	1.3
131.08652	0.9
134.03743	1.4
134.07385	1.7
135.04524	100.0
135.74376	0.6
136.04863	1.3
137.09735	1.3
138.01994	1.3
139.03958	0.7
139.07718	1.3
143.03506	7.7
149.08495	1.5
149.09706	23.7
150.10034	0.7
151.00410	1.6
153.05620	1.2
153.09221	6.5
159.03131	0.7
161.04561	7.0
167.10776	32.0
167.41956	0.8
168.11116	0.9
179.03493	74.6
179.05585	9.5
180.03793	0.7
181.55174	0.7
191.05685	0.8
197.04614	3.5
207.13876	1.2
209.11746	1.0
222.18680	0.7
225.14890	4.6
243.03015	1.1
243.15947	3.9
255.02971	2.9
271.02478	7.4
276.46960	0.7
300.02740	16.7
301.03531	6.4
341.08746	27.9
405.21271	94.3
406.21667	3.7
445.06946	1.0
519.24463	28.7
520.24646	1.2
609.14636	22.1
609.24536	1.4
610.14984	2.9
656.70886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20157	1.7
65.41139	1.5
69.12018	10.0
69.12376	1.5
71.01380	70.6
72.99304	2.5
73.02956	9.2
78.14536	1.4
83.01379	4.3
85.02953	19.6
87.00864	6.6
89.02445	82.5
95.01358	4.3
97.02968	2.7
98.21892	3.4
101.02441	51.8
111.00860	4.7
113.01700	2.9
113.02449	42.8
118.45108	1.7
119.03487	8.8
125.02410	3.9
129.01900	2.1
130.93170	1.7
131.03493	4.8
141.01985	1.9
143.03506	8.8
149.04497	2.3
161.04556	12.5
167.03485	2.5
168.62854	1.6
179.05612	32.9
184.66507	1.4
185.93480	1.4
203.05595	1.6
223.20000	1.5
291.27557	1.7
323.09726	4.2
341.10895	6.0
357.51025	1.7
485.15314	4.2
503.16620	1.9
582.30939	1.6
587.20099	1.8
634.47449	1.8
647.20593	5.9
827.26703	100.0
828.26923	5.8
863.24585	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	863.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.2
68.99825	0.3
69.41984	0.3
69.42342	0.7
71.01378	12.7
78.01118	0.7
83.01417	0.3
86.16714	0.2
89.00330	1.2
89.02467	0.2
91.01874	0.8
95.01434	0.2
98.22578	0.3
102.49235	0.2
106.00591	2.1
106.01227	0.2
110.23907	0.2
111.00875	0.3
112.98794	0.2
113.02458	0.2
114.99549	0.3
115.00367	7.5
121.02952	30.5
122.03297	0.4
123.00871	1.6
127.00398	0.4
133.01427	0.4
136.98810	0.4
138.01450	0.1
138.03203	3.3
139.00351	0.4
139.03905	0.2
153.05569	23.7
154.02718	0.2
154.05939	0.4
166.99844	1.0
182.02197	4.0
189.01469	0.2
197.04536	100.0
198.04866	1.5
207.73717	0.2
228.36740	0.2
313.05637	10.4
337.02432	0.2
343.10553	0.3
457.13345	0.2
490.82724	0.2
750.13647	0.2
857.59991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	1.0
69.31220	1.0
69.31635	1.4
71.01382	13.7
73.02930	2.6
74.33037	0.4
80.02673	1.0
81.03450	1.9
83.01392	1.6
83.05025	5.2
85.02964	3.9
87.00877	3.1
89.02440	11.9
95.01389	0.7
95.05054	0.6
96.99339	0.7
97.02942	3.0
99.00852	0.9
101.02444	11.3
111.04536	0.7
113.02444	6.8
116.92852	1.7
119.03503	4.1
123.13479	0.4
125.02435	5.0
131.03526	0.9
133.05046	0.5
135.08083	0.6
141.01711	1.6
143.03461	2.7
161.04527	3.8
163.11308	2.4
165.12846	2.1
167.03601	0.5
179.05580	3.9
181.12457	0.6
199.06064	0.8
209.11824	100.0
210.12201	2.0
216.02342	0.4
217.07201	0.8
221.06668	1.4
227.12889	15.0
228.13197	0.6
235.08235	5.9
251.12892	0.5
253.09312	0.7
255.23288	55.9
256.21054	0.5
256.23770	1.4
259.08252	0.6
263.07742	0.6
287.07687	1.7
305.08823	2.5
323.09784	1.5
379.12390	10.0
397.13483	52.0
398.13876	1.5
415.14545	8.7
526.93292	0.5
589.25281	1.1
607.26080	1.5
635.36700	1.0
653.37378	3.0
686.08826	0.5
863.30334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99807	0.3
69.03439	1.0
71.01381	15.0
71.09689	0.2
72.99306	0.7
73.02945	2.8
75.00861	0.3
80.02662	1.2
81.03459	2.2
83.01388	2.1
83.05022	4.8
84.02154	0.8
85.02949	4.0
86.00076	0.2
87.00874	4.0
89.02447	12.0
89.36657	0.2
93.03493	0.5
95.01393	1.6
95.05029	0.5
97.02951	2.7
99.00848	0.6
101.02441	11.0
109.02969	0.5
111.00886	0.4
111.04491	0.5
113.02447	7.3
119.03506	3.4
125.02454	5.5
125.06077	0.4
126.34870	0.3
127.04043	0.3
131.03476	0.8
133.05103	0.3
135.08138	0.6
139.04027	0.4
141.01773	0.5
143.03523	2.1
145.04980	0.3
161.04546	3.6
163.11282	4.0
165.12819	1.9
167.03438	0.4
179.05612	3.6
181.12350	0.7
185.04550	0.5
191.10770	0.6
199.06085	0.6
209.11826	100.0
210.12164	2.9
217.07150	0.8
221.06657	1.1
227.05594	0.3
227.12889	14.6
235.08220	5.3
251.12944	0.4
253.09204	0.7
255.23286	53.2
256.23642	2.0
259.08267	0.4
263.07651	0.4
269.24817	0.7
277.09012	0.3
287.07681	2.4
305.08881	2.4
323.09778	1.4
361.11472	0.4
379.12439	10.8
380.12820	0.4
397.13489	47.9
398.13779	1.7
415.14581	9.4
589.24811	1.4
607.26367	1.4
635.36694	0.8
653.37598	2.3
889.75507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1977
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
60.32058	0.7
69.57101	1.2
69.57498	1.2
70.81293	0.6
71.93260	0.7
81.03471	1.4
83.01381	3.8
89.03995	0.8
91.80004	0.6
93.03448	1.7
95.05026	1.9
97.02934	1.3
107.05013	1.9
109.02922	9.8
121.02946	2.6
123.04495	6.4
125.02431	100.0
126.02821	0.8
131.05064	1.4
133.02936	5.2
135.04494	2.3
137.02423	14.4
137.70056	0.8
139.04013	2.1
145.02919	1.2
147.04460	1.4
149.02380	3.2
150.03229	1.5
151.03989	11.3
159.04491	2.2
161.02428	32.6
161.06091	2.5
162.03261	1.9
163.00375	2.0
163.03998	4.4
164.01128	5.9
165.01929	6.1
167.03423	1.0
174.03239	1.0
175.03981	14.1
176.01137	1.1
177.01906	11.2
177.05536	0.9
179.03484	2.1
187.04004	4.5
188.04724	1.0
189.01915	2.1
189.05521	0.9
191.03537	1.2
193.04977	1.2
199.03973	3.3
201.01918	1.7
201.05550	2.2
203.03470	2.5
203.07164	5.0
205.01390	1.4
205.05061	3.6
211.03992	0.8
213.05495	1.0
215.03468	1.2
217.05022	6.1
218.69429	0.7
219.02972	3.4
225.05661	1.1
227.03430	1.6
228.04289	0.9
229.05080	2.1
231.02985	1.0
241.05048	1.0
243.02939	20.4
243.06644	1.5
244.03456	1.0
245.04517	10.4
245.08206	5.8
253.04871	0.8
255.03008	5.8
256.03760	2.2
257.04584	1.0
261.04037	7.0
269.04529	3.1
271.05984	1.0
273.03976	1.8
281.04660	1.8
282.01740	1.4
283.02396	2.1
285.04004	2.1
287.05588	30.1
287.08789	1.5
289.07153	20.0
295.06256	0.9
299.05573	3.1
311.05490	0.9
315.08716	1.0
337.06955	0.9
339.08728	2.1
341.06778	1.3
363.05209	2.1
381.10040	0.8
387.04947	0.8
389.06653	0.8
391.04343	1.2
395.07349	0.8
405.06180	7.0
407.07565	19.5
413.08698	8.2
423.07111	4.3
425.08804	8.8
433.08963	0.8
449.08765	6.4
451.10242	8.2
467.09686	1.1
525.08350	1.9
533.11298	1.2
543.09314	3.8
559.12628	1.0
561.10406	1.2
569.10834	1.2
575.11749	7.4
577.13525	11.5
578.13538	0.9
587.11761	3.5
695.13959	11.1
713.14832	4.0
739.17041	1.2
865.20264	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	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61664	1.1
69.62032	1.4
75.44651	0.6
81.03452	1.5
83.01374	3.5
93.03423	1.1
95.04989	0.7
97.02952	1.5
99.27107	0.6
107.05039	1.4
109.02945	11.0
120.02174	0.9
121.02945	2.0
122.03713	1.4
123.04507	9.2
124.01702	0.6
125.02441	100.0
126.02761	2.1
131.05040	1.1
133.02933	5.1
135.04515	2.1
137.02440	13.9
139.04025	1.9
145.02995	1.0
149.02460	3.5
149.06038	1.0
150.03145	0.8
151.04001	12.3
159.04491	2.0
161.02441	30.6
161.06075	2.6
162.03166	2.8
163.00333	3.1
163.03999	4.6
164.01126	4.5
165.01924	6.4
167.03511	1.3
173.06030	1.3
174.03252	0.9
175.04004	16.5
176.01132	0.9
177.01906	11.4
177.05708	0.8
178.02321	0.8
179.03531	2.3
185.02475	0.7
185.06075	1.1
187.04016	4.2
188.04813	1.1
189.01938	1.4
189.05571	1.1
191.03470	1.1
199.03984	3.4
201.01889	0.7
201.05557	1.4
202.06343	0.8
203.03490	2.7
203.07118	3.7
205.01450	1.6
205.05016	4.0
211.04092	1.0
213.05600	1.3
215.03516	1.4
216.00853	0.7
216.99338	0.8
217.05055	8.2
217.08737	1.0
219.03009	4.1
225.05614	1.1
227.03383	1.0
228.61270	0.7
229.05090	2.4
231.02966	1.2
241.05058	0.9
243.02966	19.3
243.06660	1.4
244.03337	1.4
245.04501	11.4
245.08145	6.7
247.06183	0.9
253.05136	1.0
255.03032	5.4
255.05490	0.8
255.06516	0.7
256.03705	2.3
257.04535	1.7
259.06046	0.7
261.03967	6.6
269.04553	2.2
273.04163	1.7
281.04523	2.0
282.01749	1.1
283.02417	1.8
285.04068	2.5
285.07419	0.7
287.05569	24.6
288.06042	1.5
289.07153	24.6
290.07590	1.3
295.02429	0.7
297.04132	1.4
299.05637	2.7
305.04309	0.8
329.06790	0.7
339.08664	1.7
341.06705	2.1
363.05115	1.2
381.05722	0.9
387.05334	0.9
391.04584	1.0
405.06183	6.0
407.07681	19.0
408.08182	1.3
413.08722	8.4
417.06320	1.0
423.07114	4.2
425.08762	9.6
449.08838	6.5
450.09769	0.7
451.10312	9.2
525.08630	2.4
543.09454	4.8
559.12567	1.3
561.10388	2.2
569.10968	2.7
575.11865	6.7
577.13556	10.2
587.11963	3.3
630.19507	0.7
677.12665	0.9
695.13873	9.6
713.15033	4.1
739.16858	2.4
865.20190	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	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09705	0.6
64.46606	0.6
69.03407	0.7
71.15310	0.8
81.03452	1.1
83.01373	3.6
88.86901	0.7
89.03944	1.0
93.03472	1.8
95.05031	1.0
97.02937	1.9
102.08110	0.6
105.03426	0.7
107.05046	2.1
108.02236	1.0
109.02963	11.8
117.03430	1.0
121.02953	2.6
122.03784	1.2
123.04532	7.7
125.02443	100.0
126.02765	1.6
131.05086	1.4
133.02968	5.7
135.04509	3.3
137.02443	13.0
139.03987	1.3
145.02945	0.7
147.04509	1.2
149.02448	3.6
150.03270	0.9
150.06166	0.7
151.03990	12.2
158.49426	0.6
159.04517	2.6
161.02448	32.7
161.06027	1.8
162.03120	2.0
163.00389	2.7
163.04012	4.4
164.01173	5.7
165.01920	6.4
167.03430	1.1
173.02469	0.9
173.06096	1.3
174.03258	1.1
175.03990	17.0
175.07587	1.4
176.01170	1.1
177.01904	11.4
177.05562	1.0
178.02609	1.0
179.03496	2.3
183.04510	1.1
185.06187	0.8
187.04013	4.0
188.04781	1.9
189.01967	2.1
191.03488	1.4
193.05060	1.8
199.04007	5.0
200.04729	1.0
201.01938	0.7
201.05566	2.3
202.06221	1.2
203.03481	2.3
203.07158	4.5
205.01445	1.6
205.05063	3.5
211.04094	1.2
213.05687	1.0
215.03333	1.0
217.01437	0.7
217.04990	6.9
219.02931	4.4
225.05573	1.4
227.03510	1.6
227.07198	0.7
229.05060	2.5
230.05734	1.1
231.02951	1.4
241.05048	1.4
243.02965	18.2
243.06657	1.3
244.03604	1.1
245.04514	12.0
245.08217	4.7
255.02953	6.7
256.03784	3.1
257.04373	1.1
261.03946	7.6
267.06461	0.8
269.04547	2.5
273.04190	1.8
281.04584	2.2
282.01578	1.2
283.02472	2.4
285.04044	2.0
286.04919	0.7
287.05603	30.9
289.07153	23.0
290.07629	1.1
295.06018	1.0
297.04160	1.2
299.05673	3.8
315.08630	1.4
329.06589	1.0
331.07947	0.7
339.08624	1.7
341.06662	2.1
369.09787	0.9
381.09967	1.2
395.07590	2.1
405.06152	6.0
407.07648	19.5
408.08243	1.5
413.08749	8.1
417.06122	0.9
423.07098	6.7
425.08795	10.9
435.07294	1.4
449.08682	8.4
451.10245	8.8
467.09836	0.8
517.12079	0.8
525.08179	1.5
533.11090	1.9
543.09192	4.6
559.12958	1.2
561.10352	1.8
575.12085	7.3
576.12006	0.7
577.13495	14.0
578.13574	1.3
587.12189	2.4
695.14111	8.1
696.14343	1.5
713.15100	4.5
733.28430	0.8
739.16345	3.0
865.20013	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	865.198
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
65.03983	0.4
69.03444	0.4
70.31345	0.6
81.03457	0.9
83.01379	3.3
93.03461	1.4
95.01403	0.4
95.05084	1.0
97.02959	2.0
98.21938	0.6
99.04477	0.5
104.54073	0.4
107.05020	1.8
108.02193	1.2
109.02217	0.8
109.02949	10.3
117.03427	0.5
120.02181	0.6
121.02949	2.7
122.03725	1.4
123.04526	7.0
125.02441	100.0
126.02785	1.4
131.05075	0.9
133.02942	4.0
135.04524	1.9
135.58797	0.4
135.81783	0.5
137.02440	13.2
139.04008	1.9
145.02934	0.6
146.03784	1.1
147.04523	1.0
149.02409	3.3
150.03206	0.7
151.03990	10.4
152.04332	0.5
159.04518	3.0
160.05385	0.6
161.02437	32.1
161.06050	2.3
162.03181	1.8
163.00359	2.4
163.03989	4.3
164.01137	6.4
165.01945	6.3
167.03477	1.7
173.02408	0.7
173.06091	0.8
174.03197	1.2
175.03986	14.4
175.05466	0.9
176.01137	0.6
177.01915	9.9
177.05576	1.3
179.03427	2.6
183.04483	0.8
185.05974	0.7
187.04013	4.1
188.04767	2.0
189.01953	1.7
189.05472	0.7
190.02769	0.8
191.03470	0.9
193.05058	1.0
199.03966	3.2
201.02013	1.1
201.05591	1.3
203.03514	2.6
203.07118	4.9
205.01427	1.4
205.05055	3.2
211.04041	1.0
214.02672	0.9
215.03606	1.2
217.01593	0.7
217.05029	6.6
219.02943	3.9
219.06458	0.6
225.05603	1.2
227.03584	1.4
227.07091	0.8
229.04971	2.6
231.02940	1.5
239.03441	0.5
241.05057	1.3
243.02965	16.7
243.06554	1.1
244.03432	0.8
245.04514	11.6
245.08156	6.3
247.02429	0.5
247.05986	0.8
253.05087	0.8
255.02946	5.9
256.03827	2.9
257.04507	1.2
261.04007	5.9
267.03006	0.8
269.04495	3.1
271.06262	0.8
273.03979	1.6
281.04504	2.1
283.02527	1.6
285.04022	2.0
285.07025	0.5
286.04575	0.6
287.05597	27.2
288.05908	0.7
289.07187	23.5
290.07489	0.9
297.04004	0.9
297.07425	0.6
299.05569	4.4
303.05148	0.8
315.08786	0.8
327.05035	0.5
339.08676	1.4
341.06610	1.8
363.04953	1.1
365.06668	0.7
379.08118	0.7
381.10022	1.2
383.07672	1.0
387.05148	0.8
391.04422	0.7
395.07626	0.9
405.06100	4.1
407.07684	23.0
408.07944	0.9
413.08777	7.9
419.07193	0.5
423.06985	4.4
425.08740	12.2
435.07324	0.9
449.08719	6.3
451.10245	7.0
455.02631	0.6
467.09991	0.6
493.11002	0.8
505.27853	0.5
517.11285	0.8
525.08191	1.8
533.10760	1.1
543.09320	3.9
559.12341	2.1
561.10339	2.4
569.10974	1.5
575.11908	7.5
577.13458	14.7
578.13373	0.7
587.11719	3.6
677.13483	0.9
695.14093	7.8
713.14886	3.4
739.16272	2.2
865.20447	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	865.1979
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
67.01872	0.5
68.99786	0.5
69.03450	0.6
70.49065	1.1
72.43054	0.5
73.33769	0.5
81.03448	0.9
82.91454	0.5
83.01385	4.4
89.03031	0.5
93.03461	1.2
95.01363	0.7
95.05010	0.9
97.02942	1.9
105.03462	0.7
107.05027	1.7
108.02150	1.5
109.02950	11.6
115.05509	0.6
117.03458	0.8
121.02967	2.1
122.03728	0.7
123.04520	8.4
125.02440	100.0
126.02761	0.9
131.04991	1.0
133.02953	5.0
135.04515	1.7
137.02435	15.3
139.03979	2.4
146.03746	1.0
147.04512	1.1
149.02426	3.5
149.06154	0.7
150.03212	1.0
150.34796	0.5
151.02829	1.0
151.04001	12.1
159.04507	2.1
161.02438	28.7
161.06027	2.6
161.14607	0.4
162.03123	1.9
163.00360	2.3
163.04025	4.0
163.39630	0.4
164.01149	6.5
165.01933	4.6
167.03412	0.9
171.04523	0.8
171.57181	0.4
173.02414	0.6
173.06049	1.1
174.03142	0.7
175.03993	14.1
176.01158	1.0
176.04378	0.6
177.01907	10.6
177.05565	0.9
178.02513	0.6
179.03418	2.6
185.06082	1.1
187.04033	4.7
188.04739	1.6
189.01907	2.7
189.05573	0.6
191.03558	0.5
197.06125	1.1
199.03981	4.1
199.07574	0.8
201.01959	1.1
201.05574	2.0
203.03528	2.6
203.07132	3.9
205.01344	1.5
205.05013	4.1
211.04037	1.3
213.05554	1.0
215.03542	0.9
217.01688	0.8
217.05052	6.5
219.03015	3.4
219.06619	0.9
221.08125	1.2
225.05602	1.2
227.03506	2.2
227.06963	0.7
228.04280	0.8
229.05083	2.1
231.03024	1.7
231.06364	0.6
239.03484	0.6
243.02969	16.4
243.06656	1.4
244.03639	0.8
245.04520	9.8
245.08180	5.8
247.06100	0.7
253.04982	0.7
255.03029	6.5
255.06650	0.7
256.03735	2.3
257.04544	2.0
261.04044	4.6
269.04465	2.0
273.04108	2.0
281.04556	2.1
282.01624	1.0
283.02502	0.9
285.04013	2.5
287.05588	27.2
289.07159	20.4
295.02213	0.6
297.04318	0.8
299.05533	3.7
315.08740	1.0
323.05981	0.6
329.06677	0.8
339.08615	1.8
341.06595	2.0
342.56781	0.6
363.04846	1.2
381.05716	0.6
381.10016	0.8
395.07800	1.3
405.06171	5.8
407.07706	19.7
413.08774	7.0
417.06113	0.6
423.07132	4.5
425.08743	12.7
426.08585	0.7
435.07358	0.8
449.08789	7.5
451.10336	8.7
525.08521	1.4
533.10986	0.8
543.08984	4.2
559.12262	0.8
561.10510	2.2
569.11023	1.4
575.11859	7.8
577.13525	12.9
587.11908	4.3
652.03705	0.7
677.13544	0.7
695.14148	8.2
713.15210	3.3
739.16980	1.8
865.20166	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	865.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01693	3.0
69.03446	2.5
69.16008	1.7
69.16418	3.8
71.01380	47.1
72.99319	2.0
73.02945	100.0
75.00861	1.9
83.01385	22.8
85.02953	14.0
85.34704	1.0
86.08709	0.9
87.00886	1.9
89.02441	18.3
93.03468	1.2
95.01375	3.2
96.96024	1.1
97.02950	1.9
98.22596	2.4
99.00871	1.4
101.02441	88.4
111.00891	1.0
111.04472	1.3
113.02449	37.8
119.02757	1.5
119.03511	15.4
123.89400	0.9
125.02420	2.2
131.03519	9.6
143.03511	7.6
145.68987	1.0
149.04553	23.6
155.03534	2.0
161.04559	46.1
173.04581	1.5
191.05568	1.9
203.05525	4.3
221.06650	15.2
290.76968	1.1
294.03391	1.0
294.07281	1.0
306.40155	1.1
309.42188	0.9
319.17590	2.5
326.53268	1.0
361.18805	4.7
373.22272	9.6
415.23361	17.4
444.16162	1.1
480.73401	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	867.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.4
68.99796	0.4
69.03450	0.7
69.35592	0.6
69.35985	0.6
71.01379	9.1
72.99315	2.0
73.02952	1.0
75.00869	8.8
80.69208	0.3
81.03427	0.4
83.01366	0.4
84.02151	0.3
85.02949	9.7
87.00870	3.4
89.02438	2.4
93.03461	0.7
95.01374	2.7
99.00880	5.0
101.02445	0.7
103.00378	0.9
109.02938	0.6
111.00871	0.4
113.02449	14.2
115.00365	1.2
115.07646	56.4
116.08007	0.8
117.01934	1.1
119.05038	0.4
129.01941	0.7
131.03539	0.3
139.00401	0.3
139.04045	0.3
157.01454	0.7
161.04504	0.6
162.05113	0.3
163.04030	0.5
173.04599	0.3
175.02426	1.0
179.05554	0.3
189.12848	0.4
191.05618	1.2
198.78821	0.2
207.13899	0.3
223.08194	0.3
227.03410	0.3
231.05130	1.2
231.10069	0.3
249.06148	8.7
253.57619	0.3
255.02925	0.4
267.07104	1.6
271.02393	0.9
284.03262	0.7
285.04037	0.4
299.01807	0.5
300.02689	1.5
305.12280	0.5
313.03458	0.4
314.04395	1.0
315.05084	3.0
347.13547	0.7
365.14496	100.0
366.14853	3.7
387.20200	1.0
397.86511	0.3
410.82614	0.3
447.09344	0.9
448.09586	0.4
477.10294	2.7
478.10245	0.4
591.13660	1.5
592.14355	0.4
639.15851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.2
69.03447	0.7
71.01373	7.8
71.04996	0.8
73.02942	1.5
80.02666	1.2
81.03441	1.4
83.01380	1.0
83.05027	5.2
84.02156	1.1
85.02953	2.4
87.00870	2.5
88.22430	0.3
89.02437	7.9
93.03462	1.3
95.01388	0.5
95.05018	0.7
96.96019	0.7
97.02956	1.2
97.06567	0.4
99.00883	0.4
99.04512	2.7
101.02438	5.6
107.42358	0.3
109.02986	0.3
111.04550	0.6
113.02435	4.0
115.04000	3.2
117.05582	0.5
119.03499	1.8
124.67223	0.3
125.02448	2.1
125.06075	0.9
128.26595	0.3
135.04500	1.0
135.08136	0.5
137.02409	0.6
139.03943	0.5
143.03494	12.8
147.16844	0.3
159.02991	1.8
161.04558	14.2
162.04776	0.4
163.11305	4.1
165.12840	2.1
167.03423	0.4
171.10251	0.4
173.04533	1.3
179.05591	2.7
181.12305	0.6
189.09309	0.4
191.05589	2.2
191.10843	1.0
209.11816	100.0
210.12177	2.6
221.06575	0.4
227.12888	15.5
235.08128	1.8
243.27507	0.3
251.12921	0.6
253.09244	0.7
259.08331	0.4
263.07745	0.4
287.07684	0.6
299.23276	0.4
301.08960	0.4
305.08856	1.0
323.09866	0.7
379.12482	3.6
397.13474	19.6
398.14017	0.9
415.14536	4.9
512.70148	0.4
589.24683	1.5
607.26172	3.0
799.37775	0.8
867.37573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.5
66.82616	0.2
69.03456	6.1
69.56792	0.8
71.01382	5.1
73.02952	1.7
83.01391	0.5
83.10865	0.3
85.02956	2.4
89.02431	1.4
91.01871	0.5
93.03444	0.8
95.01362	0.4
98.00100	0.8
99.00875	0.6
101.02431	2.6
107.05028	0.5
113.02445	26.7
113.81949	0.2
114.02796	0.3
119.01381	1.7
119.03525	0.6
119.05106	0.2
121.02956	1.3
123.08160	0.6
134.03725	1.0
135.04526	1.5
143.03522	0.3
147.00885	2.8
149.02431	5.9
150.03162	0.7
151.04001	0.4
152.01128	0.6
159.02940	0.6
161.04535	4.7
162.03249	0.4
163.04004	1.8
163.11314	0.8
164.04791	5.6
165.01897	0.5
173.04630	0.5
175.00362	13.8
176.00995	0.3
179.07133	1.2
189.01950	0.7
189.12834	1.2
190.02713	45.5
191.03221	1.4
191.05521	1.4
193.01468	0.3
203.12897	0.5
205.05045	53.5
206.05389	0.7
207.02933	0.6
207.06821	0.3
207.13899	0.7
208.03728	1.0
209.04489	1.2
223.06097	6.1
223.13338	0.3
242.97026	0.3
245.14040	0.3
251.05652	0.4
265.07095	0.6
275.07639	2.2
279.16077	0.3
280.81848	0.2
385.18494	1.3
411.38022	0.3
499.21594	0.3
563.20990	0.5
578.23743	2.1
593.26019	100.0
594.26428	4.5
622.68817	0.3
643.51392	0.3
801.53912	0.3
869.34784	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	869.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71734	2.0
69.03452	1.7
69.94630	5.3
71.01382	50.5
73.02945	24.5
83.01400	10.6
85.02953	31.1
85.06586	2.0
85.65620	1.6
87.00870	4.9
89.02443	21.8
93.03461	3.3
95.01392	5.6
97.02965	2.0
99.00878	7.0
101.02438	63.6
102.50285	1.8
111.00889	2.1
113.02441	28.7
116.75387	1.9
119.03514	6.4
125.02477	2.9
127.98860	1.8
129.01868	2.0
130.56235	1.6
143.03519	2.9
159.02980	4.8
161.04553	23.4
173.04622	2.2
179.05696	3.2
191.05623	5.1
249.13423	100.0
250.13815	2.0
276.49600	1.7
291.14496	78.5
292.14233	1.9
300.02744	3.3
301.03687	2.4
335.13718	2.1
388.57938	1.7
467.15625	1.7
505.09702	3.1
533.26038	54.2
534.25916	2.1
550.81146	1.9
625.55139	1.8
759.12201	1.9
766.24963	2.0
880.35840	2.0
882.41290	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	869.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03484	0.5
66.70193	0.2
69.03432	0.2
69.49310	0.7
71.05013	0.3
71.20802	0.2
73.02942	1.6
76.09944	0.2
80.05057	0.3
83.05015	0.3
84.02198	0.3
85.02931	0.5
87.04524	0.5
88.05366	0.2
92.05089	0.3
93.82712	0.2
95.01369	0.4
95.05043	0.3
96.04552	0.4
97.02930	0.5
98.03731	0.6
98.21909	0.4
107.05022	0.3
109.02946	0.6
109.06591	1.3
110.06099	0.4
111.04523	0.4
112.01658	1.0
112.03974	0.3
113.02444	3.7
114.05604	0.4
115.04004	0.6
120.08164	0.3
121.06555	0.7
122.03678	0.3
122.09753	1.3
123.04541	0.4
123.08108	0.3
124.01650	0.5
125.02443	0.6
127.03980	1.2
128.07172	0.2
133.06561	0.4
135.08148	0.6
137.02438	0.2
137.06113	0.3
138.03236	1.7
139.00389	0.7
139.04030	6.1
142.08783	0.2
144.00624	0.5
147.08171	0.5
148.07687	1.0
149.06105	0.3
149.09729	0.4
150.03197	0.7
150.06842	0.8
151.03987	0.8
159.08171	0.3
161.09724	0.6
162.09236	0.4
163.07617	0.6
165.09200	0.5
166.08723	1.5
167.03563	0.4
167.07080	0.6
173.04482	0.4
173.09703	0.7
175.07588	0.3
176.08411	0.5
176.10797	0.3
177.09201	0.4
186.12782	0.3
187.11337	0.3
191.07195	0.3
191.10687	0.4
200.10901	0.3
204.13991	0.4
207.06612	0.2
214.12392	0.3
216.13853	0.6
219.59303	0.2
219.94794	0.2
232.13409	0.2
240.13878	0.6
242.15524	1.6
252.13857	0.2
258.14938	0.6
258.18631	0.6
260.12891	0.5
260.16531	0.9
272.16510	0.7
284.16589	0.5
291.14023	0.2
296.20169	0.6
302.14285	0.4
302.17603	8.0
303.18054	0.3
304.15469	0.3
314.17795	0.4
314.21216	1.6
316.15549	0.3
318.17117	0.8
322.18372	0.2
340.19205	1.7
358.20255	9.7
358.24756	0.5
359.20746	0.5
372.21899	0.9
390.22888	1.9
401.18329	0.2
402.19275	1.8
404.20746	0.8
405.21219	0.8
406.22330	3.0
416.20770	3.5
434.21820	100.0
435.22189	5.8
552.51239	0.3
806.59930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23897	0.5
69.03438	3.7
70.43974	1.1
71.01377	35.0
72.99307	1.0
73.02944	22.0
78.95901	1.7
83.01392	5.8
85.02951	10.1
87.00867	2.0
87.50948	0.4
87.89312	0.6
89.02444	23.9
90.54668	0.5
93.03439	1.1
95.01384	2.3
99.00892	1.2
101.02441	27.6
110.55486	0.5
113.02456	22.1
119.03513	10.3
131.03499	2.2
135.04529	1.1
137.02449	0.6
137.09712	0.8
138.01971	1.0
143.03484	2.4
149.04529	3.3
152.08432	2.3
152.99559	4.0
159.02998	1.1
161.04578	8.8
179.05626	6.5
191.05661	2.6
203.05524	0.9
225.14952	4.8
255.47905	0.6
299.11377	3.6
301.20175	0.6
369.19363	1.1
371.20740	0.8
387.20224	100.0
388.20734	3.5
413.15573	1.8
413.21988	1.3
457.24353	0.9
501.23425	12.4
502.23041	0.7
604.58490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23897	0.5
69.03438	3.7
70.43974	1.1
71.01377	35.0
72.99307	1.0
73.02944	22.0
78.95901	1.7
83.01392	5.8
85.02951	10.1
87.00867	2.0
87.50948	0.4
87.89312	0.6
89.02444	23.9
90.54668	0.5
93.03439	1.1
95.01384	2.3
99.00892	1.2
101.02441	27.6
110.55486	0.5
113.02456	22.1
119.03513	10.3
131.03499	2.2
135.04529	1.1
137.02449	0.6
137.09712	0.8
138.01971	1.0
143.03484	2.4
149.04529	3.3
152.08432	2.3
152.99559	4.0
159.02998	1.1
161.04578	8.8
179.05626	6.5
191.05661	2.6
203.05524	0.9
225.14952	4.8
255.47905	0.6
299.11377	3.6
301.20175	0.6
369.19363	1.1
371.20740	0.8
387.20224	100.0
388.20734	3.5
413.15573	1.8
413.21988	1.3
457.24353	0.9
501.23425	12.4
502.23041	0.7
604.58490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03461	0.3
67.50314	0.3
69.03448	1.1
71.05015	1.0
73.02959	2.0
81.03469	0.6
83.01385	1.2
83.05024	0.4
84.04556	1.5
85.06609	0.5
85.49610	0.3
86.06113	2.0
87.04511	0.5
93.03459	0.5
95.05031	1.3
97.02951	10.1
98.03718	1.7
99.04514	0.6
108.02209	0.5
109.02938	1.2
110.06151	0.3
111.04500	2.0
112.04048	1.7
115.04012	1.3
121.02956	0.9
121.10254	0.4
122.03720	2.2
122.09752	0.4
123.04536	1.3
125.02451	4.4
133.10260	0.9
136.07693	0.3
137.01424	0.6
137.02446	10.4
138.03229	0.6
139.04019	1.6
139.07677	0.9
143.17950	0.3
147.11818	3.6
149.02451	0.8
150.03218	0.6
151.04024	0.7
151.07642	0.7
151.66350	0.3
153.05585	0.4
159.11797	0.6
160.19386	0.3
161.02481	3.1
161.13391	0.6
163.04031	0.6
164.01241	0.4
165.01889	1.7
165.05598	0.5
166.02666	0.7
166.08752	0.7
172.87436	0.3
179.03488	0.7
191.05530	0.4
198.11327	0.5
201.05563	0.6
202.06348	1.0
204.04251	1.2
213.16476	0.6
217.08640	1.1
219.06587	1.7
220.07394	1.6
235.09845	1.1
244.07379	1.6
256.16983	0.5
259.09732	1.3
261.07690	0.4
262.14389	0.3
270.05270	0.4
274.18359	0.3
275.04654	0.3
285.07709	1.1
287.07922	0.6
299.07693	1.3
300.19696	0.3
300.23093	0.4
302.49069	0.3
303.08728	32.0
304.09036	1.1
326.21313	1.0
327.08786	1.6
334.83496	0.4
344.22330	4.8
360.21667	0.4
362.23355	0.6
370.20288	0.6
388.21338	7.6
404.20865	1.0
406.22330	100.0
407.22714	3.4
465.14011	11.3
466.14700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.0
69.57384	3.4
71.01383	29.3
73.02953	4.8
83.01385	2.0
85.02952	9.2
87.00883	1.5
89.02444	32.0
93.03419	1.1
95.01392	2.4
96.96011	1.1
97.25110	0.8
98.21892	1.5
99.00912	1.4
101.02448	18.7
113.02453	26.5
119.03493	11.2
125.86370	0.9
131.03549	1.8
134.07379	2.4
135.04544	1.4
137.09720	1.8
139.07622	0.8
143.03511	1.4
149.09720	23.1
153.09213	7.2
159.02994	1.2
161.04573	9.8
167.10779	33.9
179.03979	1.3
179.05602	14.0
185.47404	0.8
191.05605	2.2
207.14082	1.0
225.14900	4.8
243.15990	4.2
269.10428	4.2
287.58420	0.8
311.11389	5.2
341.08643	0.9
405.21280	100.0
406.21613	2.4
441.17731	1.2
519.24524	27.4
520.24725	1.0
712.65790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89952	0.3
65.00311	0.6
69.21730	0.5
69.22067	1.6
71.01371	1.1
71.18376	0.3
83.01379	0.6
85.02930	0.5
89.02438	1.1
89.02975	0.3
89.38713	0.3
95.01341	0.4
96.96089	0.3
101.02410	0.6
107.01375	1.7
108.02166	0.9
109.02914	1.1
113.02423	0.8
118.88893	0.4
119.05067	0.4
121.02956	1.4
135.00874	0.4
135.04538	0.5
137.02437	4.1
143.82292	0.3
148.01631	0.6
151.00362	6.2
158.03792	0.4
163.00381	1.6
165.05574	0.4
169.01450	0.4
178.99844	3.7
179.05592	0.4
191.05600	0.7
199.03983	0.6
211.03944	0.6
216.04340	0.3
226.02696	0.9
227.03529	1.7
237.07480	0.3
239.03433	0.4
243.02986	4.9
243.05247	0.6
245.04366	0.6
254.02220	1.3
255.02975	14.2
256.03384	0.5
271.02463	30.8
272.03088	1.1
273.03934	0.8
281.01987	0.3
283.02319	0.8
299.01941	0.8
299.07639	1.0
299.11359	2.4
300.02728	70.4
301.03488	29.8
302.03879	0.4
349.18253	0.4
424.23822	0.4
463.08798	100.0
464.09000	2.3
863.94489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19038	1.5
69.03441	5.1
69.44164	6.4
71.01381	65.4
71.01783	3.1
72.99312	3.1
73.02945	99.0
75.00892	1.4
81.03457	1.6
83.01392	25.7
85.02948	21.4
87.00864	4.5
89.02444	25.4
93.03468	2.5
95.01389	5.9
96.35011	1.3
96.96014	2.5
97.02950	2.0
98.22640	3.5
99.00875	3.5
101.02439	100.0
108.89369	1.5
110.77082	1.5
113.02445	46.0
119.03500	17.2
121.06587	2.3
125.02415	3.1
131.03497	10.9
137.09715	16.8
139.03981	2.1
143.03485	12.8
145.95511	1.4
149.04558	29.7
155.03503	2.8
159.03017	1.8
161.04559	55.7
171.84001	1.6
173.04547	2.8
179.05627	2.6
189.12825	7.0
191.05634	7.8
203.05621	7.5
221.06654	20.4
234.77940	1.6
317.19553	4.4
335.20761	14.9
351.18253	1.8
369.19308	2.0
377.21753	34.9
411.20364	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	877.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.0
69.03462	4.0
69.18587	0.6
69.51891	2.4
71.01376	12.3
71.04995	0.9
71.34782	0.5
73.02941	1.6
81.03429	1.0
83.01390	1.3
85.02927	2.7
87.00896	3.2
89.02438	9.5
97.02942	2.0
99.00882	0.8
101.02441	8.1
113.02448	4.3
116.92846	2.3
119.03514	1.6
123.08179	1.0
125.02448	1.4
125.09710	1.7
141.02010	0.6
143.03500	1.0
151.11279	2.5
153.12784	0.9
161.04506	1.2
161.09734	2.7
168.94443	0.6
179.05556	0.9
179.10806	4.6
197.11823	33.9
198.12206	0.7
209.11845	1.7
221.06654	1.5
223.09648	0.7
232.27824	0.6
235.08235	1.2
241.10815	1.8
255.23276	40.4
256.23645	1.5
269.24826	1.2
274.93466	0.6
397.13245	2.7
415.14297	0.8
643.40479	0.6
865.44336	0.6
877.47980	100.0
878.48132	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	879.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20003	0.5
63.33754	0.5
65.03948	0.8
69.40915	2.4
73.21646	0.5
81.03448	0.5
83.01376	2.8
83.05052	0.5
93.03455	1.3
95.05051	0.6
97.02938	2.5
97.03506	0.6
98.21922	1.2
105.73369	0.5
107.05038	1.8
108.02190	0.9
109.02947	4.2
117.03447	1.0
121.02975	1.6
122.03743	1.9
123.04516	2.1
125.02444	100.0
126.02779	1.2
131.05016	1.3
133.02963	3.4
135.04520	0.9
137.02441	10.3
139.04024	0.7
145.02953	0.6
149.02414	2.3
149.06096	0.7
150.03255	1.4
151.04013	8.0
155.61142	0.6
159.04515	2.0
161.02434	28.0
162.03194	2.0
163.00404	1.8
163.03979	3.1
164.01160	5.2
165.01904	4.8
165.05508	1.0
167.03540	0.7
173.05981	0.9
174.03214	1.0
175.04012	11.6
175.07269	0.5
176.01173	1.5
177.01933	8.3
177.05524	1.0
179.03523	0.6
187.03917	2.8
188.12347	0.7
189.01936	2.4
189.05553	0.6
193.04996	0.7
197.06053	0.7
199.04007	2.4
201.01913	0.6
201.05606	1.9
202.06416	0.9
203.03484	2.1
204.04214	0.8
205.01332	0.9
211.03897	0.7
217.05055	5.2
219.02995	2.5
219.06636	1.5
225.05515	0.7
227.03540	1.0
229.05124	1.6
231.02942	1.3
241.05023	0.8
243.02975	9.7
243.06578	1.3
245.04517	6.1
245.08264	0.8
253.05017	0.6
255.02969	4.2
256.03772	0.9
261.04028	7.3
269.04498	1.6
273.04013	1.9
281.04581	0.7
281.07697	0.6
282.01645	0.7
283.02466	1.0
285.04050	1.5
287.05591	29.9
289.07166	3.4
297.04117	0.7
299.05597	2.4
303.08740	6.4
311.09290	0.8
317.25507	0.6
337.07394	0.9
353.10376	1.5
355.08078	1.2
381.05984	0.8
399.99130	0.6
405.06030	4.1
407.07748	2.9
413.08826	6.9
421.09158	3.9
423.07080	5.5
425.08710	1.2
439.10406	9.2
449.08768	4.8
465.11954	2.3
481.11453	0.7
533.10669	1.0
557.10962	1.5
575.11932	6.5
577.13080	0.9
583.12518	1.2
589.13983	1.0
591.15240	6.4
601.13843	2.5
709.15710	4.6
727.16998	5.0
753.17786	1.3
879.21265	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	879.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	0.6
69.03458	0.6
69.09635	2.6
74.06965	0.3
81.03423	0.5
83.01370	2.2
83.05033	0.5
93.03441	1.1
95.01389	0.6
95.05026	0.6
97.02958	2.4
98.22694	0.7
105.03410	0.4
107.05032	1.3
108.02158	1.3
109.02944	3.8
117.03447	0.7
119.05003	0.5
120.02148	0.5
121.02928	1.7
122.03732	1.8
123.04518	2.4
125.02441	100.0
125.16974	0.4
126.02787	0.5
130.04259	0.5
131.05013	1.0
133.02942	5.0
135.04536	1.2
137.02440	11.1
139.04028	1.0
145.03006	0.6
147.04489	0.9
148.01736	0.6
149.02437	2.0
149.06082	0.5
150.03198	1.4
151.04007	8.1
158.03648	0.7
159.04526	1.9
161.02437	29.3
162.03151	1.0
163.00340	2.1
163.04013	3.7
164.01141	6.1
165.01906	4.8
165.05598	0.5
166.02571	0.4
167.03467	1.1
171.04561	0.6
173.02344	0.4
173.06071	1.3
174.03178	0.8
175.03999	11.1
176.01126	1.0
177.01915	9.3
177.03468	0.5
177.05484	0.6
179.03525	0.8
183.04480	0.6
187.04001	3.3
188.04860	0.6
189.01898	2.2
189.05580	0.6
189.97934	0.4
190.02687	0.8
191.03514	1.1
193.04997	0.9
199.03976	2.2
200.04752	0.5
201.01857	0.9
201.05591	1.4
202.06276	0.6
203.03572	1.9
203.07162	0.5
204.04323	1.1
205.01372	0.9
205.05106	1.1
211.04001	1.0
213.05699	1.0
215.03490	0.5
217.01552	0.7
217.05037	5.7
217.08705	0.6
219.02979	3.2
219.06625	1.5
220.07361	0.9
225.05550	0.5
227.03529	1.6
228.04320	0.4
229.05043	2.2
231.02992	1.4
232.03719	0.5
235.09738	0.4
239.03456	0.5
241.05046	0.9
243.02974	9.9
243.06601	1.5
244.03505	0.5
244.07343	0.7
245.04524	5.8
245.08243	0.8
253.04939	0.4
255.02924	4.9
256.03772	1.4
257.04605	1.3
259.09698	0.5
261.04004	5.3
267.02902	0.5
269.04553	1.3
271.02420	0.7
273.04071	1.7
281.04437	0.5
283.02426	1.1
285.03979	1.0
285.07581	0.5
287.05600	25.4
289.07120	3.2
295.06204	0.4
299.05618	2.0
303.08755	4.4
305.04459	0.4
327.04990	0.7
329.10150	0.6
337.07123	0.8
347.05679	0.6
353.10223	1.8
355.08591	0.5
379.08411	0.5
381.06091	0.7
391.04755	0.4
395.07205	0.6
395.11688	0.5
405.06104	3.2
407.07718	2.5
413.08759	5.5
421.09167	3.1
423.07190	4.1
425.08859	1.1
437.09048	0.4
439.10349	6.5
449.08862	4.4
451.10266	0.6
465.11975	2.1
489.11993	0.4
533.11139	1.1
557.10931	1.4
573.13892	0.5
575.11938	5.5
577.13312	0.9
583.12769	0.9
589.13861	1.1
591.14984	6.8
601.13696	2.1
691.15076	0.4
709.15570	4.5
727.16602	3.6
728.17242	0.4
753.18304	1.5
879.21387	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	879.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.5
67.01878	0.7
69.35204	2.1
81.03452	0.7
83.01387	3.4
89.04001	0.5
93.03458	1.0
95.05025	1.0
97.02972	2.6
107.05009	1.4
108.02158	0.7
109.02945	3.9
117.03474	0.5
121.02960	1.1
122.03730	1.4
123.04485	2.3
125.02439	100.0
126.02802	0.5
131.04993	0.9
133.02951	4.8
135.04515	1.0
137.02449	11.5
137.20151	0.5
139.04004	1.0
148.01643	0.5
149.02415	2.6
150.03227	1.5
151.03990	8.7
159.04501	1.5
161.02431	31.4
162.03177	1.8
163.00412	2.9
163.03967	3.2
164.01164	4.8
165.01927	3.6
165.05583	0.7
173.02444	0.8
173.06079	1.0
174.03284	0.7
175.03990	14.1
176.01140	1.2
177.01903	8.3
177.05612	0.5
183.04648	0.6
187.03992	3.4
189.01927	1.3
189.05652	0.6
191.03508	1.1
193.05052	1.0
199.03976	3.2
200.04797	0.7
201.01918	1.1
201.05591	1.9
202.06256	0.7
203.03493	2.1
204.04222	0.6
205.01462	0.7
205.05046	1.3
211.03998	1.2
214.02837	0.5
215.03336	0.9
216.04259	0.7
217.05031	6.3
217.08559	1.2
219.02982	3.2
219.06512	1.1
220.07333	1.1
225.05577	1.0
227.03481	1.1
229.05048	2.6
231.03043	1.2
241.05058	1.0
243.02960	12.7
243.06651	1.6
244.03819	0.6
245.04552	6.1
245.08249	0.6
254.05846	0.6
255.02975	5.6
256.03702	2.1
257.04584	1.4
259.09732	0.6
261.03986	7.1
269.04581	2.1
273.03964	2.1
280.31082	0.6
281.04541	1.1
282.01596	0.9
283.02567	1.2
283.05957	0.5
285.04028	0.9
287.05594	25.7
289.07111	3.1
297.04025	0.7
299.05588	2.8
301.07230	1.0
303.08759	7.1
311.09250	0.7
337.06848	0.6
342.07092	0.9
347.05188	0.8
353.10223	1.9
355.08243	1.3
379.08408	0.7
381.06030	0.8
387.05313	0.6
388.06296	0.5
391.04605	0.6
395.11441	1.3
405.06149	4.9
407.07635	2.2
413.08670	6.4
421.09113	4.9
423.07135	5.4
425.08429	0.8
439.10251	8.4
449.08762	4.7
451.10681	0.6
465.11990	4.8
533.10022	1.0
557.10870	2.5
575.11951	7.6
577.12994	0.7
583.12366	1.9
591.14886	8.0
599.61060	0.5
601.13342	3.2
611.56702	0.6
627.15338	0.7
709.15649	7.5
727.16608	4.1
753.18127	2.3
879.21326	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	879.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	2.3
69.16489	6.6
71.01378	36.7
73.02946	100.0
83.01387	20.8
85.02964	5.4
87.00839	1.5
89.02442	10.4
101.02443	63.8
106.67367	1.2
107.92923	1.4
113.02440	20.7
119.03477	10.2
125.02452	2.4
125.39479	1.5
131.03484	6.6
143.03517	8.5
149.04572	20.5
155.03482	1.8
161.04564	39.4
191.05600	2.1
203.05641	4.8
221.06650	23.9
272.09735	1.3
314.87555	1.3
333.20859	2.1
478.70319	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	879.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.3
71.01378	23.1
71.51775	1.7
73.02953	4.6
84.42552	1.9
85.02948	6.6
87.00874	4.5
89.02435	12.8
95.01414	2.8
96.95997	9.5
97.02937	7.5
97.06609	3.2
98.21856	3.8
99.00877	12.3
101.02444	16.2
113.02441	7.3
119.03505	4.1
121.31325	2.1
125.02460	3.7
125.09701	7.0
129.67545	2.3
161.04608	2.3
163.11278	8.3
171.10329	9.5
181.12321	10.8
199.13367	9.2
207.10248	30.4
225.11299	40.6
235.08083	4.0
243.12402	9.1
255.23279	63.7
256.23593	2.3
323.95239	2.0
379.12527	4.1
397.13519	14.7
415.14648	2.2
641.24664	2.1
653.37952	2.1
861.48914	12.9
879.49615	100.0
880.50604	7.2
911.64075	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	881.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27195	1.1
76.51475	0.2
78.95901	58.9
81.02567	0.2
85.75328	0.2
96.96958	6.9
110.98515	0.7
150.98000	2.1
152.99583	100.0
153.99924	0.7
171.00641	3.4
185.02203	0.7
279.23291	16.4
280.23660	0.4
293.10556	0.3
404.37314	0.3
433.23566	39.3
434.23993	2.0
447.25150	8.4
447.30194	0.2
448.25778	0.4
647.92242	0.3
688.77252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.5
69.03446	1.0
71.01382	20.8
73.02937	6.0
76.28727	0.8
80.02666	0.9
81.03484	2.3
83.01408	2.6
83.05025	4.3
85.02938	4.9
87.00872	6.0
89.02442	20.9
95.01388	2.2
97.02938	3.6
101.02433	19.3
113.02438	10.4
119.03469	4.4
125.02452	8.1
125.09715	3.4
127.04026	1.1
127.11235	4.0
128.08853	1.0
139.04028	1.0
143.03522	3.9
155.10809	2.3
161.04568	3.8
163.11279	3.5
165.09274	1.2
165.12848	2.1
171.10236	1.8
179.05547	4.9
185.04562	0.9
201.11313	73.5
202.11613	1.7
209.11821	100.0
210.12163	2.9
221.06682	1.6
227.12903	14.6
235.08266	5.7
245.06462	1.1
255.23279	79.3
256.23691	2.9
269.24814	1.1
282.90622	0.9
287.07663	2.8
305.08829	2.0
323.09756	1.3
379.12439	15.5
397.13480	67.1
398.13852	2.5
415.14597	13.8
581.24646	3.2
589.24902	2.9
599.25726	2.1
607.26105	2.8
635.36664	2.6
636.37732	1.0
653.37494	10.4
837.48975	2.4
892.46832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.67702	0.2
71.23055	0.2
76.10887	0.2
80.84084	0.2
86.23183	0.2
88.98847	0.3
90.20056	0.2
96.96004	0.5
98.49382	0.3
100.47282	0.2
124.00184	0.2
130.16603	0.2
138.07565	0.3
206.00404	0.3
278.26187	0.2
596.22882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	0.2
67.01891	3.7
69.03463	0.9
71.01381	3.0
71.90637	0.2
73.02940	0.3
81.03456	0.8
83.05017	0.8
85.02960	0.6
87.00880	0.3
89.03965	0.4
89.68104	0.2
93.03457	25.7
94.03805	0.2
99.04496	0.3
101.58027	0.1
108.02148	0.3
109.02940	1.1
111.00880	0.9
111.04516	4.3
113.02441	0.4
116.72430	0.2
117.03454	1.5
123.34687	0.1
127.04025	0.3
134.03735	17.2
137.02444	4.4
149.06059	1.5
155.03510	3.7
173.04544	100.0
174.04945	0.9
178.02777	0.4
191.05617	0.9
193.05049	15.4
221.08311	0.2
331.25079	0.1
367.10303	38.1
368.10672	0.5
418.22137	0.6
419.22632	0.2
434.21753	0.7
435.21957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.392
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68451	0.3
69.03455	1.5
69.04026	0.4
70.48278	0.8
71.01383	2.0
71.05011	0.8
73.02956	1.7
83.05022	0.6
84.04556	1.7
85.02959	0.5
85.06598	0.5
86.06098	1.8
87.04523	1.0
89.02434	3.0
90.33102	0.3
97.02946	5.0
98.03735	1.5
99.00858	0.9
99.04513	0.6
101.02473	0.5
111.04496	1.6
112.04049	1.7
115.04064	1.7
121.10280	0.6
124.07616	0.4
125.02448	1.7
133.10208	0.5
139.07628	0.6
147.11819	3.5
148.07700	0.4
149.04593	0.9
151.07632	0.6
152.10826	0.5
159.11795	0.6
161.13318	0.8
168.04277	0.5
186.12953	0.4
191.05623	0.7
198.11345	0.5
213.16472	0.7
218.82811	0.4
231.17467	0.4
233.06642	1.3
236.12985	0.5
256.17090	0.5
264.75821	0.3
293.08789	7.2
316.22028	0.4
326.21286	1.4
339.13425	0.4
344.22281	5.6
362.23376	0.9
370.20068	0.7
388.16928	0.6
388.21381	6.6
398.42859	0.4
404.20618	0.6
406.22351	100.0
407.22733	2.4
477.16400	0.8
478.39795	0.4
524.21075	0.3
629.82782	0.5
648.57483	0.4
869.77356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.6
63.05421	0.3
65.99490	0.3
69.03454	0.9
70.45140	0.8
71.01380	12.4
72.99294	0.7
73.02941	2.6
80.02679	1.2
81.03466	2.3
83.01387	1.1
83.05025	5.2
84.02148	0.7
85.02938	2.8
87.00861	3.5
89.02438	12.0
95.01389	1.0
95.05013	0.9
96.96017	0.9
97.02946	2.6
99.00854	0.7
99.04533	0.4
101.02441	9.4
109.06624	0.5
111.00880	0.4
113.02438	5.9
113.03159	0.6
116.42027	0.4
119.03497	3.5
124.81161	0.5
125.02445	5.5
125.06091	0.6
131.03500	0.8
135.08151	0.5
143.03517	2.2
149.04602	0.4
161.04535	2.6
163.11281	3.9
165.12837	2.3
174.50273	0.4
177.12935	0.4
179.05568	3.5
181.12347	0.6
185.15176	0.4
191.10806	1.2
209.11819	100.0
210.12062	1.2
211.64427	0.4
217.07144	0.7
221.06624	1.2
227.12871	9.4
229.14198	0.4
235.08228	4.2
251.12923	0.4
253.09351	1.1
277.21719	39.9
278.21951	0.9
287.07678	1.5
305.08832	1.5
323.09775	1.1
379.12457	6.1
397.13474	29.0
398.13782	0.5
415.14514	7.2
589.25031	0.7
607.26135	1.4
652.42822	0.5
885.49030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.9
66.91771	0.6
69.03450	0.9
71.01376	13.3
73.02945	2.2
79.65129	0.4
80.02657	0.8
81.03453	2.1
83.01380	1.5
83.05030	5.3
85.02963	3.5
87.00883	3.5
89.01933	0.9
89.02443	12.6
95.01392	1.3
97.02936	2.1
99.00888	1.0
99.45592	0.6
101.02444	10.3
111.04528	0.7
113.02447	7.4
119.03475	3.4
125.02446	6.5
131.03491	0.8
135.08147	0.7
143.03491	3.0
160.60741	0.6
161.04570	3.7
163.11261	3.7
165.12785	2.8
167.03510	0.5
179.05623	2.7
181.12389	0.7
191.10834	1.4
209.11821	100.0
210.12178	1.1
221.06648	1.1
225.11275	0.5
227.12871	14.9
235.08237	4.0
253.09387	0.6
277.21713	45.9
278.22018	1.0
287.07666	1.2
291.23291	0.5
305.08829	2.2
323.09793	0.9
341.83469	0.5
379.12396	7.6
397.13477	36.7
398.13983	1.1
415.14502	9.2
589.25598	0.7
607.25958	1.5
675.36224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03475	0.4
68.71178	0.1
69.16943	0.3
69.17348	0.6
71.05012	0.3
73.02940	1.4
80.05061	0.2
83.05035	0.2
85.02948	0.6
86.95676	0.2
87.04504	0.7
95.05026	0.2
96.04556	0.4
97.02914	0.4
98.03723	0.7
102.40170	0.1
107.05018	0.2
109.02970	0.7
109.06606	0.9
110.03699	0.3
110.06097	0.3
111.00874	0.3
111.04490	0.4
112.01649	1.4
112.04041	0.2
113.02448	3.9
114.05632	0.4
115.04002	0.9
120.08189	0.2
121.06596	0.9
122.03719	0.4
122.09765	1.2
123.04488	0.4
123.08151	0.2
124.01662	0.5
125.02448	1.2
127.04001	1.5
128.07155	0.4
133.06519	0.2
134.08835	0.1
135.08160	0.5
136.07706	0.2
137.02448	0.2
138.03226	2.0
139.00381	0.8
139.04007	6.2
144.00638	0.6
145.06578	0.2
147.08144	0.8
148.07645	0.8
149.06068	0.4
149.09715	0.4
150.03265	0.8
150.06857	0.7
151.04007	0.7
152.04787	0.2
158.07399	0.3
159.08142	0.3
161.09680	0.4
162.09245	0.2
163.07640	0.5
165.05533	0.2
165.09123	0.7
166.08704	1.4
167.03459	0.8
167.07152	0.5
168.04225	0.3
173.09734	0.5
175.07660	0.3
175.11290	0.3
176.08476	0.2
176.10965	0.2
177.09181	0.3
177.18073	0.2
178.06291	0.2
184.09769	0.3
187.11322	0.3
188.10745	0.3
189.09212	0.3
191.07080	0.2
191.10745	0.4
192.17226	0.2
200.10866	0.2
202.12378	0.3
204.13919	0.3
207.06656	0.3
214.12358	0.3
216.13889	0.6
218.11813	0.7
230.96011	0.2
232.13446	0.2
232.78310	0.2
233.69843	0.1
240.13971	0.3
242.15494	1.7
258.14993	0.5
258.18658	0.9
260.13010	0.5
260.16467	1.1
272.16635	0.9
284.16541	0.6
296.20178	0.6
302.14267	0.4
302.17596	8.2
303.17947	0.4
304.15503	0.3
314.17877	0.3
314.21243	1.7
316.15631	0.2
318.17056	0.5
322.18216	0.2
330.20801	0.4
340.19125	2.4
342.16983	0.2
357.19391	0.3
358.20251	9.2
359.20529	0.5
367.70569	0.2
372.21689	1.1
390.22861	1.8
401.18369	0.3
402.19177	2.3
416.20724	3.4
434.21793	100.0
435.22177	3.2
451.32809	0.4
618.17053	0.2
740.58331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2248
Annotation	Myriophylloside B
Peak:m/z	Relative Intensity
64.70938	0.3
69.03447	1.0
69.09196	2.0
71.01382	1.3
71.36537	0.3
83.01360	0.4
85.02944	0.8
85.45349	0.3
89.02428	0.4
93.03441	0.7
101.02439	0.5
113.02442	3.6
119.05025	67.8
120.05389	0.6
121.02872	0.3
135.04539	0.7
151.00345	0.8
160.04001	0.3
161.04512	0.8
163.04004	100.0
164.04370	1.3
173.04582	0.5
189.12823	0.4
191.05603	2.0
207.13965	0.4
211.04027	0.5
227.03484	13.2
228.03941	0.3
229.05080	0.4
240.54942	0.3
255.00836	0.3
255.02968	18.4
256.03729	1.6
284.03250	20.1
285.04047	8.0
295.14676	0.3
301.03201	0.3
325.09268	40.6
326.09689	1.0
327.05426	0.4
387.20132	1.2
439.12424	8.8
447.09311	27.1
448.09497	0.9
501.23666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	5.2
73.02975	1.3
77.28568	1.0
79.29694	1.0
85.02932	1.9
87.00847	1.0
91.01903	1.1
93.03470	2.2
96.95966	1.6
101.02448	3.1
108.02187	1.3
109.02938	1.8
113.02431	1.3
119.01366	5.5
119.06188	1.0
121.02937	7.2
122.03696	1.3
123.04473	1.1
126.13960	1.0
134.03751	2.7
135.04555	2.9
136.01659	57.2
137.02393	3.2
147.00867	4.9
147.04552	2.1
149.02419	20.1
150.03215	2.2
151.04005	68.8
155.50606	1.0
160.05304	1.8
162.03214	2.0
163.04024	4.4
164.04785	20.7
165.01949	2.2
165.05582	1.3
175.00362	33.4
175.07535	1.5
176.00868	1.1
176.04759	1.2
177.05591	2.1
179.03473	1.2
179.07079	4.9
181.05092	1.1
190.02705	99.2
191.03419	3.3
191.05539	2.3
191.07178	1.4
193.01428	1.7
205.05049	100.0
206.05534	2.5
208.03816	2.8
209.04440	1.6
221.07971	1.1
223.06111	24.9
265.07217	1.3
315.63016	0.9
327.12335	3.2
342.11005	3.8
343.11728	6.4
352.07861	1.2
357.13419	22.0
358.14133	1.1
366.64218	1.1
367.10287	56.9
368.10446	1.1
390.22543	2.7
489.01981	1.1
494.77060	1.1
725.24506	63.9
726.24829	3.3
791.87939	1.3
887.29797	37.6
888.29730	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	887.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	22.4
64.97631	4.4
69.94308	3.6
71.01387	23.3
73.02961	22.5
82.95411	7.9
85.00369	3.6
85.02974	8.7
87.00883	6.2
89.02431	7.6
96.96005	13.4
99.74305	4.2
101.02428	26.2
106.06649	5.8
113.02446	9.3
116.92854	10.0
122.06175	5.1
134.06113	41.7
152.07231	6.8
164.85057	3.6
167.03430	4.2
168.35753	3.6
174.60892	4.6
314.12387	5.4
354.12387	5.4
357.14825	5.7
367.09979	4.6
370.15598	5.2
382.11938	12.1
398.15100	42.3
410.14960	21.1
677.33350	4.1
719.36523	4.3
767.29242	100.0
799.31573	25.6
801.30804	8.7
811.28192	22.3
843.31122	53.6
844.31763	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	889.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45100	0.6
70.95942	0.9
71.63279	0.6
88.03252	0.5
117.03445	0.9
119.05063	0.6
121.02985	1.3
132.02159	1.5
133.02965	3.0
134.03737	82.5
135.04543	3.5
136.01701	0.7
137.02431	6.9
139.04008	1.3
147.04501	0.7
149.06075	23.2
155.04898	0.5
160.01659	4.9
160.71062	0.6
162.03183	1.3
175.03990	3.3
176.04825	1.0
177.02002	0.6
177.05540	0.9
178.02701	45.6
179.03401	2.6
191.05606	0.6
191.07149	1.3
192.04245	2.5
193.05048	100.0
194.05460	0.6
197.12209	0.5
207.06627	2.3
209.61476	0.5
229.83299	0.6
235.06137	1.8
311.67764	0.6
342.26547	0.6
371.11307	3.9
565.17096	53.9
566.17230	2.1
607.18243	1.2
727.22400	38.0
728.23608	1.1
769.23376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.1
68.99819	1.2
69.03458	10.8
70.50185	2.1
71.01382	7.6
72.28313	0.8
73.02945	3.0
74.41504	0.9
75.27473	0.9
81.03461	1.2
85.02934	3.7
87.00856	1.2
89.02435	1.7
93.03458	4.1
97.06479	1.0
98.00042	1.1
101.02436	4.5
104.91167	1.0
107.05095	0.9
109.02934	1.8
111.04580	1.1
113.02448	28.6
121.02958	4.0
121.06596	1.7
122.03752	4.8
123.00919	1.1
123.04548	1.6
125.02488	1.2
127.03939	0.9
134.06093	1.5
135.04498	3.1
136.01660	16.6
136.05295	13.3
137.02451	12.6
137.06026	1.2
148.05305	3.3
149.02477	5.3
149.06067	4.2
150.03229	24.0
150.06842	2.2
151.00441	4.8
151.03993	20.3
152.04749	2.8
159.04575	1.2
160.05334	1.3
161.02631	3.1
163.03979	1.4
163.07634	4.0
164.01181	1.0
164.04793	1.7
165.01927	46.2
165.05557	26.6
165.09209	21.1
166.02719	14.2
167.03534	3.5
173.04486	2.4
175.03908	2.5
177.01875	1.9
177.05551	1.5
179.03488	11.3
180.04265	34.6
181.05054	22.3
189.05507	2.4
190.06371	2.9
191.03395	1.0
191.05609	3.1
193.05054	1.7
194.05836	2.6
195.06613	56.3
199.64777	1.0
202.47209	0.9
205.05005	2.1
205.08662	1.8
207.06673	1.9
210.05347	8.4
220.07393	1.5
221.08334	1.1
225.05609	1.8
225.07680	26.9
225.09917	1.5
307.05966	1.0
315.08670	1.2
337.15320	1.2
357.09659	3.6
357.13486	3.1
359.11078	1.3
361.20560	1.2
372.12054	4.1
386.13620	3.0
387.14539	29.6
402.13284	1.9
417.15472	11.5
461.32541	1.1
479.33893	4.1
550.18463	3.0
565.20715	45.2
566.21082	2.6
583.21692	2.0
585.89966	1.1
595.21783	4.1
613.22845	100.0
614.23242	6.0
619.75153	1.0
623.37762	5.7
641.39117	12.9
683.40045	28.6
769.31207	1.7
785.43292	5.1
803.44635	2.2
813.29651	6.4
845.32037	4.3
845.45416	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	889.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.5
67.01884	7.6
69.03449	3.4
71.01375	9.2
71.14465	0.7
73.02944	20.4
81.03461	2.5
83.01395	3.9
83.05017	1.6
85.02950	4.7
87.00872	7.1
89.02449	2.3
93.03457	55.4
94.03795	0.5
95.01358	0.7
97.06569	0.8
99.00864	1.2
99.04502	0.8
101.02442	14.9
105.03441	0.8
108.02178	0.7
109.02927	1.5
110.17290	0.5
111.04529	8.9
113.02444	7.0
115.03972	0.5
117.03477	0.6
119.03516	2.6
121.02950	0.9
123.04439	0.6
124.01633	0.9
125.02457	0.9
127.03983	1.1
129.01944	1.3
131.03497	2.0
132.02142	1.1
133.02966	5.9
134.03735	19.2
135.04530	10.5
136.01700	0.9
136.05293	2.1
137.02434	4.2
139.04015	0.9
140.61008	0.6
143.03473	2.5
145.02946	0.8
149.04550	4.7
151.03998	2.7
155.03493	4.1
157.76141	0.6
160.01646	4.1
161.02473	2.7
161.04553	8.1
162.03229	10.7
165.01889	6.4
165.05586	0.6
166.02725	0.8
173.04544	54.0
177.01891	2.9
178.02711	2.3
179.03467	4.1
180.04268	3.9
181.05077	1.2
191.05606	37.6
192.06075	0.7
195.06654	3.6
203.05656	0.8
210.05331	0.5
221.06653	4.0
225.07741	2.8
231.10326	3.8
240.94200	0.5
241.08429	0.5
257.08212	1.6
275.09238	30.9
276.09427	0.7
278.71164	0.6
299.10721	0.6
307.08112	0.5
308.09042	0.8
330.68051	0.5
351.07184	1.8
352.07935	1.7
387.14532	2.1
449.14508	100.0
450.14832	2.5
469.40683	0.5
565.20966	2.9
613.22736	5.8
775.27930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65675	0.5
70.25206	1.0
71.01373	6.9
73.02942	11.5
79.95694	0.4
80.05038	1.4
83.01377	2.0
85.02937	1.4
87.00853	0.9
89.02440	3.5
92.05053	0.6
95.01362	0.5
101.02441	6.1
104.05055	0.7
106.06633	4.0
107.03777	0.5
113.02460	2.9
119.03487	1.0
120.04599	0.7
120.08135	0.9
121.05322	1.3
122.06110	7.4
125.02485	0.4
132.04547	2.4
134.06119	20.5
146.06137	0.6
148.07709	0.8
152.07137	2.0
158.02490	0.8
160.03979	0.9
160.06375	3.1
161.04678	0.4
174.05618	0.8
186.05527	0.5
190.05002	2.1
197.07181	0.6
198.07945	0.5
213.10315	14.0
223.08742	0.9
223.12277	0.4
224.09422	0.5
225.10275	1.7
226.11115	1.3
239.11880	7.5
241.13448	7.7
242.13800	0.5
249.10245	0.8
251.12042	2.2
263.11850	0.5
265.09726	0.9
265.13412	0.6
267.11343	1.1
277.09744	1.6
278.10486	0.8
279.11249	0.7
283.10944	0.9
285.12421	19.1
286.12830	0.6
291.07892	0.4
293.12949	1.7
295.10855	0.9
296.11337	1.1
300.12238	0.5
305.09491	2.5
307.10803	0.8
314.12415	1.1
316.14542	0.7
320.21036	0.4
328.10846	2.2
328.14108	0.5
330.12347	0.6
337.11826	1.8
340.10858	0.5
340.14471	1.3
341.11523	0.6
342.12332	1.5
342.15994	0.5
343.13181	1.3
344.13974	1.1
354.12582	0.5
355.13303	1.0
356.13916	2.3
356.17657	0.8
357.14771	1.5
358.15570	6.1
368.10101	0.7
368.13940	1.2
369.14941	0.7
370.11771	1.2
370.15524	1.4
372.17151	1.6
382.15671	1.0
383.12680	0.8
384.13150	3.6
384.17346	1.6
385.14276	1.0
396.13373	1.3
397.14169	1.4
398.14948	2.5
399.15833	0.9
400.16656	7.6
410.15210	0.7
412.16650	5.7
426.14627	1.5
438.14560	0.5
444.15570	1.8
456.15729	0.5
477.22824	0.4
490.20346	0.5
503.20776	0.5
505.21838	0.9
517.18439	0.9
545.22766	0.9
547.23657	0.6
559.18927	2.6
563.22650	0.8
573.21606	0.9
577.03461	0.4
586.93909	0.5
701.31274	0.8
727.29626	1.2
753.27722	0.8
769.30969	4.6
770.31213	0.7
771.29120	1.0
772.29785	0.5
785.30286	1.7
795.28705	1.1
813.29858	100.0
814.30334	5.9
845.32367	19.1
845.48438	0.9
846.32684	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.385
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66600	1.4
67.03011	16.9
70.48876	3.3
73.04066	5.8
74.02465	5.3
76.16166	1.4
80.03806	1.5
81.04593	3.9
82.06607	2.0
83.02514	5.2
84.00922	7.0
85.03645	1.8
85.04045	8.6
86.02463	2.0
86.73594	1.7
93.03450	11.6
93.04589	7.5
95.02514	6.5
96.00917	3.0
97.04076	4.2
98.02502	1.9
99.02008	6.7
100.00425	9.2
104.03542	7.0
107.04901	4.4
108.05641	3.3
109.04075	2.9
109.53769	1.6
111.02010	26.6
112.00417	12.2
113.03577	9.3
115.05119	3.5
115.08779	14.3
117.03502	3.3
118.04095	4.3
118.06626	1.8
119.05015	13.8
122.07252	1.8
123.02049	1.6
124.02798	3.6
124.05152	3.3
125.03571	6.0
125.07220	10.6
127.08778	2.7
129.10359	27.4
131.03760	6.3
132.04562	6.6
133.05341	3.8
134.03700	3.5
134.06128	13.2
136.05138	13.2
137.03596	3.4
139.08727	8.0
139.34305	1.6
140.02228	1.6
140.07166	2.1
141.03044	4.7
143.11923	2.2
144.04524	3.5
151.03848	1.7
151.08763	5.2
152.07135	2.8
153.07855	2.7
153.10321	6.8
154.06232	5.3
154.08678	3.2
155.04608	2.2
155.08270	43.6
158.06061	1.9
160.04054	5.8
160.07622	2.7
162.05597	2.3
164.07155	1.8
164.11928	4.1
167.08270	2.2
169.09857	7.2
172.07318	2.4
173.07182	5.4
174.05583	4.5
179.08337	4.3
180.11380	4.9
181.09813	29.8
186.05600	5.4
186.12556	11.4
188.03514	2.8
190.80396	1.6
191.08240	12.2
191.13023	12.2
193.05005	4.1
194.12987	1.7
196.10907	3.2
198.12457	31.2
201.06653	3.4
203.08115	3.3
204.06650	3.6
206.09357	7.4
207.07704	4.5
207.12497	16.1
208.10938	2.4
212.10469	4.7
213.06657	3.6
217.06146	16.7
220.10979	11.1
221.09317	7.0
223.12001	4.6
224.10396	6.5
226.11961	3.2
229.06194	3.5
231.07668	2.4
232.11099	2.4
234.13506	2.4
235.11983	5.4
241.13139	2.0
242.09462	2.4
243.07661	2.3
247.07275	4.4
252.14650	17.9
255.14546	11.0
256.13019	1.8
260.15195	2.1
263.11380	2.4
266.12595	2.4
273.08990	2.3
278.11584	3.0
281.12418	2.4
286.08228	2.3
298.15170	3.0
303.15579	3.0
304.16785	2.7
311.13574	2.2
330.14584	5.4
338.15009	7.0
346.16302	2.8
347.14349	2.4
355.17920	2.5
373.18826	8.3
381.15631	2.6
382.13876	2.8
398.23169	2.6
399.16678	3.4
416.23935	1.9
417.17883	5.0
425.14746	12.5
435.18735	2.4
442.17126	15.0
442.22043	1.6
460.22168	9.7
486.19791	5.2
491.27417	2.2
500.18167	2.1
503.22263	4.1
504.20547	2.7
517.25696	3.9
529.21252	2.2
530.18933	23.4
535.26392	5.3
547.21643	12.3
559.21832	3.3
617.28131	2.2
635.29578	15.4
660.28931	26.9
661.28876	2.4
678.29822	38.1
694.71521	1.9
696.34784	3.5
721.34302	4.5
722.33136	4.5
735.32538	2.1
740.33850	13.1
753.33282	7.6
765.33197	24.1
783.34271	100.0
784.34778	6.5
855.31403	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	890.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03471	2.1
67.01878	2.1
69.17931	4.0
82.02966	0.9
84.04517	1.2
96.04550	2.2
98.06094	2.1
109.07762	1.1
110.06110	2.6
111.05604	1.8
112.04031	2.9
112.07700	1.6
113.07215	16.6
114.05604	11.8
124.04050	12.9
129.97177	0.8
132.08167	2.8
135.09265	1.2
136.04031	1.4
136.07877	0.9
137.03560	1.5
137.07216	1.7
138.05597	7.9
138.09207	1.1
139.05144	8.2
139.08783	19.5
147.09303	1.0
150.04428	0.9
154.79320	0.8
163.08820	1.2
164.07169	11.3
165.06688	76.1
165.10345	3.0
167.08278	1.4
176.07074	1.4
191.08173	2.5
193.09805	56.8
202.93958	0.9
207.07779	1.6
210.12425	1.3
211.10832	1.7
236.13972	4.3
237.08749	1.0
246.16046	1.9
249.70985	0.9
262.12039	1.5
264.17203	2.5
290.15112	2.6
333.19019	0.9
380.75317	0.8
430.24658	1.6
438.50623	1.0
484.25806	1.1
499.01501	0.8
581.30994	1.3
846.48840	2.2
890.47754	100.0
891.48389	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	895.36
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08688	0.7
71.01378	1.6
73.02944	3.2
73.92723	0.1
75.88598	0.1
83.01388	0.8
85.02936	0.3
87.00842	0.2
89.02437	0.7
93.03453	0.5
95.01385	0.2
101.02438	2.6
106.04239	14.4
113.02441	1.1
117.41635	0.1
119.03506	0.5
120.02161	0.3
121.02958	0.4
122.03703	0.2
125.02484	0.1
131.03500	0.3
134.44827	0.1
136.05280	1.7
137.06052	0.2
138.03221	0.7
140.60272	0.1
143.03456	0.3
149.02402	0.3
149.04544	0.5
151.04019	1.1
151.07639	3.6
161.04497	0.8
210.06868	1.1
221.06677	0.2
227.07095	0.5
242.09415	0.3
255.10272	0.5
257.11813	100.0
258.12158	1.8
461.18396	0.1
501.19693	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	895.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33624	0.2
69.21758	0.7
78.95906	5.6
84.10423	0.2
101.78824	0.2
110.97816	0.3
110.98542	3.4
120.30954	0.2
152.99567	0.3
167.01141	1.3
185.02188	3.4
186.96538	0.2
194.62851	0.2
219.77515	0.2
220.01387	0.2
261.22217	0.5
279.23282	100.0
280.23621	2.2
447.25168	36.2
448.25470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	21.8
78.87036	9.5
89.02444	26.4
98.21786	15.8
101.02434	19.7
105.94257	9.5
106.44436	9.5
109.06631	12.3
119.03525	12.2
139.37758	9.7
163.11288	10.8
182.58102	10.1
207.10207	68.7
225.11301	25.1
253.03294	10.8
255.23248	58.1
397.13495	58.8
397.18063	10.4
415.14352	14.3
432.34048	10.8
549.50116	12.4
653.37030	14.6
707.04730	9.8
861.48590	100.0
897.46527	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04460	0.9
69.03451	1.5
71.01377	100.0
73.02950	4.7
75.00865	2.2
78.75420	0.9
83.01389	2.8
85.02943	6.4
87.00878	5.4
89.02444	16.8
95.01387	1.1
97.02947	4.0
99.00885	3.0
101.02438	15.2
101.82854	1.0
109.06602	4.1
113.02423	7.3
119.03515	3.4
121.05173	0.9
125.02426	4.3
125.09711	1.8
127.11292	2.1
131.03560	1.6
143.03516	2.3
150.66963	0.9
155.10809	1.7
161.04552	4.2
163.11264	2.6
164.88959	1.0
171.10263	50.4
179.05605	3.2
184.26514	1.0
187.00694	1.0
199.09756	11.0
199.13509	1.5
201.11343	9.9
207.10243	13.1
221.06679	1.4
225.11279	9.1
235.08202	5.9
241.19304	1.1
255.23276	62.5
256.23666	1.7
263.07718	1.2
287.07574	2.0
305.08838	2.2
323.09689	1.1
379.12408	9.7
397.13470	38.7
415.14438	7.8
623.25580	1.9
653.37744	2.3
835.47089	2.9
861.48700	8.3
879.48547	1.3
897.50708	8.0
898.49188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03474	0.2
68.05048	0.2
69.03439	0.2
69.22042	0.5
71.01381	0.5
71.05013	0.4
73.02556	0.2
73.02943	1.9
80.05058	0.3
83.01380	0.1
83.05042	0.1
84.35734	0.1
85.02951	0.7
85.57214	0.1
87.04504	0.6
89.11708	0.1
89.19759	0.1
92.05066	0.3
95.01386	0.2
95.05027	0.3
96.04566	0.6
97.02948	0.4
98.03732	0.6
99.00842	0.2
101.02432	0.3
105.07069	0.1
107.05016	0.3
109.02973	0.7
109.06585	1.1
110.03721	0.4
110.06140	0.3
111.00866	0.1
111.04513	0.4
112.01655	1.2
112.04063	0.2
113.02453	3.5
114.02745	0.1
114.05586	0.3
115.04012	0.8
120.05784	0.2
120.08175	0.4
121.02982	0.1
121.06588	0.8
122.03700	0.4
122.09756	1.2
123.04531	0.4
123.08147	0.2
124.01661	0.3
124.05219	0.1
125.02462	0.6
127.04011	1.3
128.07190	0.3
132.05840	0.1
133.06602	0.2
135.08168	0.5
136.05319	0.1
136.07585	0.2
136.11224	0.1
137.05981	0.1
138.03229	1.8
139.00377	0.8
139.04012	5.4
139.62729	0.1
140.01228	0.1
142.02673	0.1
142.08720	0.1
144.00655	0.3
145.06635	0.1
146.07426	0.1
147.08194	0.6
148.07693	0.8
149.02435	0.1
149.06111	0.5
149.09691	0.3
150.03230	0.5
150.06873	0.9
150.09160	0.1
151.03981	0.5
152.04820	0.2
154.08745	0.2
158.07332	0.2
159.03145	0.1
159.08142	0.4
161.04544	0.3
161.05943	0.1
161.09703	0.5
162.09238	0.3
163.07632	0.4
163.11305	0.1
164.04703	0.1
164.10732	0.1
165.05537	0.2
165.09178	0.5
166.08714	1.3
167.03481	0.7
167.07130	0.6
168.04288	0.1
168.10295	0.1
173.04439	0.1
173.09668	0.6
174.09103	0.1
175.07616	0.2
175.11301	0.2
176.08380	0.3
176.10762	0.1
177.09193	0.4
178.06400	0.1
178.12355	0.1
179.07037	0.1
180.10388	0.1
184.09752	0.3
185.09903	0.1
186.12901	0.1
187.11269	0.3
190.09961	0.1
190.12384	0.2
191.07159	0.1
191.10782	0.2
199.09999	0.1
200.10811	0.2
202.12419	0.3
204.13930	0.3
207.06615	0.2
214.12303	0.2
216.10341	0.1
216.13933	0.6
218.11829	0.3
226.12305	0.1
228.13939	0.2
230.15540	0.1
233.63031	0.1
234.14935	0.1
240.13951	0.4
242.15495	1.7
244.13353	0.1
248.12775	0.1
254.15430	0.2
256.17038	0.1
258.15021	0.5
258.18579	0.6
260.13092	0.5
260.16504	1.1
270.15085	0.1
272.16602	0.9
284.16568	0.7
286.14484	0.2
296.20233	0.7
302.14145	0.4
302.17599	8.0
303.17926	0.3
304.15570	0.2
312.19504	0.1
314.17554	0.3
314.21115	1.6
316.15408	0.3
318.17056	0.8
322.18271	0.1
330.20773	0.3
331.17462	0.2
340.19116	2.0
343.17850	0.1
358.20224	9.4
359.20401	0.3
362.23428	0.1
372.21759	0.9
390.22873	2.3
401.18436	0.4
402.19183	2.3
416.20770	3.6
432.20175	0.2
434.21796	100.0
435.22144	2.8
463.21841	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	898.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03483	0.4
70.08854	0.2
71.01379	0.6
71.05015	0.4
73.02944	1.6
73.59923	0.2
74.88088	0.2
85.02948	0.8
87.04530	0.3
89.02419	0.3
93.03447	0.3
95.05025	0.2
96.04545	0.3
96.06967	0.2
97.02937	0.6
97.32494	0.2
98.03745	0.6
99.00907	0.2
109.02963	0.6
109.06583	0.7
110.03737	0.3
111.04537	0.4
112.01656	0.8
113.02447	3.4
114.05585	0.3
115.04022	0.9
121.06599	0.7
122.03725	0.4
122.09751	1.1
123.04546	0.6
125.02444	0.8
127.03979	1.2
128.07219	0.3
135.08221	0.4
138.03253	1.5
139.00389	1.0
139.04002	5.0
144.00569	0.3
147.08139	0.4
148.07700	0.6
149.02377	0.2
149.06021	0.4
150.03221	0.7
150.06871	0.6
151.03993	0.4
158.07367	0.4
161.09712	0.4
163.07634	0.4
165.09209	0.4
166.08745	1.3
167.03468	0.7
167.07167	0.4
173.09706	0.8
175.11172	0.3
177.09106	0.5
178.12355	0.2
187.11250	0.4
191.05623	0.3
191.10768	0.3
200.10774	0.3
203.45732	0.3
204.13936	0.4
216.13878	0.7
218.11845	0.5
239.80371	0.3
242.15486	1.6
258.14972	0.5
258.18518	0.6
260.12781	0.5
260.16547	0.8
261.74512	0.3
272.16486	0.4
274.14346	0.2
284.16550	0.6
293.18918	0.3
296.20135	0.5
302.14172	0.4
302.17551	7.8
303.18121	0.4
314.20920	1.6
316.15564	0.3
318.17087	0.8
340.19183	2.2
358.20206	9.4
363.82004	0.3
372.21689	1.0
390.22867	2.1
401.18463	0.3
402.19302	2.0
416.20807	3.0
434.21786	100.0
435.22202	4.4
463.08960	0.4
463.21591	1.8
607.36743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00312	0.6
65.04314	0.6
69.79989	1.4
71.01363	2.4
73.02936	1.6
75.57755	0.6
82.40483	0.5
85.02966	1.5
89.02464	1.3
93.03419	1.1
96.95950	0.7
98.22523	0.7
101.02431	2.5
107.01388	1.2
108.02155	1.3
109.02936	0.8
113.02423	1.9
119.12442	0.7
121.02938	0.8
135.04445	0.7
138.01978	1.4
143.03407	0.8
148.01685	0.6
151.00357	6.2
161.04570	0.9
163.00319	1.4
163.03998	0.7
173.04584	1.3
178.99905	3.7
179.03334	0.6
179.05611	0.6
181.05858	0.5
191.05592	4.3
227.03444	1.4
243.02925	4.5
245.04628	0.9
245.09224	1.6
254.02187	1.6
255.02989	12.6
271.02469	26.1
272.03006	1.7
299.01904	1.1
300.02744	63.4
301.03506	22.8
377.14359	0.6
397.17215	0.7
431.22607	1.4
434.21762	1.3
435.22470	0.8
604.38599	0.7
609.14557	100.0
610.14783	4.0
653.53290	0.7
715.06348	0.6
930.78442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.3
69.67342	6.0
71.01376	17.4
72.99364	1.4
73.02935	2.1
73.42614	1.5
73.43213	1.4
76.88103	1.5
85.02941	4.6
87.00855	3.0
89.02451	11.5
97.02955	2.7
98.22630	2.8
101.02428	9.0
113.02425	4.8
119.03460	2.1
123.08138	2.3
125.02403	2.3
125.09698	1.8
151.11263	1.5
161.09756	1.8
169.12253	2.2
176.61748	1.6
179.10754	5.5
197.11812	60.5
198.12071	1.5
241.10883	2.2
268.46640	1.5
277.21735	19.2
349.47711	1.6
419.69379	1.6
856.88940	1.8
899.46375	100.0
900.46283	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	901.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73474	0.6
71.01371	15.1
72.02174	1.5
73.02946	23.6
75.00853	4.5
80.99608	1.3
83.01379	15.3
83.49232	0.5
85.02934	2.4
87.52550	0.5
97.02722	0.8
97.99863	1.9
99.00659	2.1
101.02441	12.0
103.00385	1.8
108.98289	0.6
111.00652	2.4
112.98577	0.8
113.02407	3.9
123.00643	46.0
124.98596	1.7
125.02386	0.7
127.00208	0.8
135.00638	2.0
139.03790	0.7
141.00528	5.4
141.01697	100.0
153.01691	17.6
155.03256	17.3
157.01164	2.2
165.01697	12.8
165.75475	0.5
166.31740	0.6
166.99614	78.1
167.03246	34.2
171.02734	2.8
177.01657	7.2
183.02742	34.2
185.00711	1.4
195.02759	8.1
197.00670	39.0
200.08690	0.6
207.02773	1.7
213.03857	7.2
225.03822	5.2
227.01714	17.5
243.04839	14.4
253.22768	0.6
257.02744	3.5
261.05835	1.4
269.02686	0.9
287.03867	30.6
303.06161	0.8
334.54605	0.7
417.15082	0.9
596.52667	0.8
922.37292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47208	0.4
67.01874	0.9
69.30724	2.1
71.01362	1.1
73.02928	1.1
90.76908	0.4
93.03426	1.4
95.04996	0.8
101.02421	0.8
101.17370	0.5
105.07059	0.4
113.02450	0.4
120.04531	2.9
121.02959	3.9
121.05288	1.9
122.03716	0.9
122.06110	5.2
133.06561	1.6
134.06107	2.6
135.06883	1.1
136.06726	0.7
136.07677	9.7
158.02425	1.1
161.07195	1.1
162.05676	0.4
171.11832	2.1
173.04585	0.6
177.09151	1.1
179.30779	0.4
184.07642	0.6
186.09232	0.9
190.05093	4.2
191.05582	1.1
198.09193	1.3
199.10023	1.3
212.72353	0.5
214.07382	0.7
214.12354	10.0
221.08180	2.3
226.07462	0.5
227.08241	2.8
228.09007	0.9
229.09790	4.0
230.11815	4.9
241.09802	6.1
242.10602	14.4
256.12091	0.7
257.12939	77.9
258.08936	0.5
258.13327	1.0
272.10440	0.5
273.11307	17.5
273.14267	0.9
274.11789	0.7
301.11920	100.0
302.12277	1.7
314.12387	0.4
337.12006	1.4
383.13235	3.0
559.19312	19.5
560.20013	1.3
785.31091	0.6
817.33734	0.6
829.29095	0.4
861.32373	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	905.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01864	0.7
71.01360	2.1
73.02924	1.9
79.05516	0.8
79.42713	0.4
83.01367	0.5
85.02966	1.1
87.00886	0.6
89.02425	0.8
93.03425	2.3
95.04980	0.8
96.95992	0.6
101.02445	1.3
106.57705	0.5
108.04551	0.7
113.02404	1.7
119.03449	0.6
120.04543	3.4
121.05310	2.3
122.06117	6.6
122.26810	0.5
130.02991	0.9
134.03749	0.9
134.06110	4.6
135.06894	1.4
136.07674	14.7
139.03972	1.7
148.07669	0.6
158.02483	1.1
160.04041	0.5
161.07242	0.5
165.05490	0.6
166.02679	0.6
171.11800	2.5
173.04530	2.2
186.09259	0.9
190.05086	5.9
191.05582	1.8
198.09236	2.0
199.09946	1.5
214.07681	0.7
214.12367	13.8
225.06720	0.6
226.07440	1.0
227.08206	2.1
228.09053	1.0
229.09796	4.4
230.11855	6.1
241.09816	9.5
242.10588	20.0
242.73985	0.5
256.12177	0.7
257.12949	99.2
258.13187	1.1
275.09369	1.2
283.10913	0.8
296.11444	0.8
301.11932	100.0
302.12219	1.3
323.10321	0.5
323.70905	0.5
337.11932	2.4
347.78601	0.5
370.19128	0.5
413.21609	0.8
431.19263	0.6
449.14417	1.6
559.19305	22.9
560.20087	1.6
609.16479	0.6
629.22485	1.2
817.33246	0.8
861.32251	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	905.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98349	0.6
67.01884	0.7
71.01374	2.9
71.41633	0.6
73.02949	2.1
85.02985	1.0
89.02426	1.7
93.03455	1.3
101.02432	2.1
106.04242	1.2
108.04574	0.7
113.02437	1.4
113.28371	0.6
119.03525	0.8
120.04525	2.9
121.05340	2.4
122.06125	5.8
124.67876	0.6
134.06105	2.6
135.06909	1.6
136.07684	12.4
158.02429	1.2
161.04555	0.9
161.07167	1.2
161.09738	2.8
162.05646	0.7
162.10126	0.7
171.11783	1.4
172.07648	0.6
173.04509	0.9
179.05553	0.8
190.05093	5.0
191.05647	1.8
198.09192	1.9
199.10069	0.9
205.08699	7.6
206.09009	2.8
214.12358	11.4
226.07553	0.8
227.08249	2.4
228.08917	0.8
229.09818	4.0
230.11903	3.5
241.09720	5.8
242.10571	17.0
256.12177	1.1
257.12939	77.0
258.13358	1.2
301.11920	100.0
302.12274	2.0
335.20886	0.6
337.11938	1.5
377.21820	1.0
449.15012	0.8
506.38965	0.6
515.06152	0.8
548.99353	0.6
559.19238	19.7
560.19971	1.2
570.21692	0.8
785.31494	0.8
861.32214	1.4
869.47681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.345
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94835	0.7
67.01899	5.9
69.03447	2.2
71.01382	10.8
73.02943	16.3
81.03443	1.3
83.01374	4.5
83.05016	2.3
85.02953	5.7
87.00865	8.1
89.02447	3.9
89.04002	1.0
93.03458	46.7
95.01388	1.2
95.05009	1.4
96.95996	0.8
97.06567	1.3
98.21777	1.6
99.00861	1.2
99.04523	1.0
101.02451	17.7
105.03444	3.8
109.02966	1.6
111.04510	9.3
113.02453	8.8
115.55676	0.8
117.03485	1.5
119.03502	3.1
121.02876	1.2
123.04572	0.9
127.04001	1.6
129.01974	1.4
130.50284	0.8
131.03516	1.8
132.02155	1.2
133.02945	16.1
134.03745	34.1
135.04536	9.0
136.05298	0.8
137.02510	3.8
137.09679	2.1
139.04002	2.2
143.03529	4.4
144.25856	0.8
145.02972	0.8
149.04546	4.2
150.03223	2.5
155.03491	5.4
160.01614	3.7
161.02423	3.2
161.04527	8.1
162.03220	11.6
165.05595	2.7
173.04544	56.9
175.03986	1.2
177.01906	6.4
178.02707	5.1
179.03491	1.1
179.05624	0.9
181.05150	1.5
187.07605	1.0
189.12732	0.9
191.05606	43.1
203.05605	1.3
221.06584	2.5
231.10234	28.3
257.08173	2.5
275.09244	93.0
276.09518	2.2
411.20230	1.3
431.13660	1.5
449.14505	100.0
450.14835	3.7
629.22290	7.7
643.55865	1.2
738.98517	0.9
791.27625	2.3
904.66772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26019	1.6
71.01375	18.5
71.43320	1.5
73.02923	1.6
81.03453	1.9
83.01379	2.3
83.05040	5.2
85.02972	3.0
87.00881	4.7
89.02443	13.9
97.02927	1.9
101.02464	11.4
113.02461	6.0
119.03513	3.2
125.02459	6.2
143.03484	2.9
161.04552	4.8
163.11288	4.1
165.12914	2.4
179.05637	4.3
209.11819	100.0
226.02275	1.5
227.12814	12.1
235.08118	5.1
255.23277	52.2
256.23605	1.9
284.87344	1.7
287.07809	2.5
305.09006	1.7
379.12433	14.7
397.08707	2.3
397.13510	36.6
415.14606	6.4
425.91061	1.7
496.77979	1.9
589.25122	3.2
594.04034	1.6
607.26782	2.7
653.37219	4.2
745.42969	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	907.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55843	0.5
71.01382	9.1
73.02941	1.2
83.01389	1.0
85.02960	3.1
87.00870	0.9
89.02448	8.4
93.03439	4.0
95.01407	0.7
95.05033	0.6
101.02435	5.0
105.03480	0.5
108.02235	1.0
109.02980	0.9
113.02442	3.6
119.03497	2.4
121.02959	9.9
122.03739	14.3
123.00928	0.8
123.04523	1.4
133.02972	2.7
134.03725	1.0
135.04527	7.3
136.01657	12.6
137.02432	2.6
143.03471	0.7
144.57895	0.6
147.04530	1.8
149.02437	25.2
149.06099	1.0
150.03223	98.1
151.00409	2.9
151.04002	19.5
151.05235	0.9
152.01161	0.9
160.05298	1.5
161.04536	1.6
161.05933	0.8
162.03194	1.2
163.04012	2.4
164.04776	5.9
165.05560	88.7
166.02708	10.3
166.05811	0.9
167.03487	3.1
169.78514	0.5
172.05353	0.9
174.03177	0.5
175.03983	4.1
175.07704	0.7
177.05589	1.5
179.03554	0.6
179.05585	3.1
180.04268	6.2
181.05058	14.9
189.05568	3.2
190.06342	5.7
191.03621	0.6
191.05566	1.2
195.06622	34.4
205.08607	0.9
206.11900	0.5
221.08128	1.0
227.10728	0.9
266.05911	0.7
282.05475	1.1
294.05222	0.7
297.07562	0.9
309.07770	1.2
315.08646	2.3
324.09811	1.3
325.10785	1.0
329.10364	3.4
339.12277	1.9
340.13226	0.7
342.10626	0.6
355.11810	1.2
356.12653	1.4
357.05789	0.6
357.09686	2.4
357.13474	4.6
369.13486	1.9
372.12161	3.8
373.12894	0.9
386.13834	0.6
387.14471	26.9
391.25009	0.6
449.15887	0.6
470.84592	0.6
490.16431	1.1
505.18530	3.8
517.18872	1.3
520.17596	1.1
531.18567	1.9
535.19720	39.3
536.20325	1.1
553.19672	0.7
565.20746	4.8
583.21832	100.0
584.22070	3.6
589.99109	0.6
684.90009	0.6
697.24933	12.5
745.27136	34.2
746.27740	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	907.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16116	3.8
71.01379	11.5
73.02937	1.7
76.10854	0.7
80.15440	0.6
83.01353	0.9
85.02943	3.1
86.35744	0.6
87.00874	0.7
87.68044	0.6
89.02441	12.3
91.91794	0.7
93.03470	4.7
95.01365	1.4
101.02450	6.1
108.02165	1.3
113.02428	3.9
119.03484	3.9
121.02951	11.1
122.03745	15.6
123.00916	1.0
123.04509	1.2
125.02448	0.8
132.93082	0.6
133.02948	2.4
134.03680	1.0
135.04527	6.0
136.01668	15.2
137.02455	2.9
138.03198	0.8
147.04517	1.2
149.02446	25.6
149.06061	1.4
150.03229	100.0
151.00383	3.2
151.04024	18.8
153.02023	0.7
153.05612	1.3
159.47887	0.6
160.05347	1.5
161.02434	0.8
161.04570	1.1
161.06015	1.1
162.03220	0.9
163.04024	1.3
164.04803	6.7
165.05571	95.6
166.02719	11.3
166.05914	1.8
167.03523	1.3
172.05325	1.1
175.03961	4.1
175.07590	0.8
177.05579	1.7
179.05629	2.2
180.04298	7.1
181.05066	16.4
189.05556	2.3
190.06322	5.9
191.05577	1.6
193.05038	1.0
195.06619	38.7
203.07129	1.6
205.08702	1.6
218.87566	0.7
221.08232	1.4
227.10880	0.9
267.06958	0.6
282.05249	1.1
294.05304	1.1
309.07516	1.1
315.08777	2.2
324.09970	1.2
329.10266	2.1
339.08582	1.1
339.12314	3.5
342.11014	1.0
349.63608	0.7
355.11472	0.9
356.12680	1.8
357.09634	2.8
357.13440	5.2
369.13467	3.6
372.12164	3.9
386.13843	0.8
386.56985	0.6
387.14490	25.5
449.15900	1.7
490.16202	1.4
505.18710	3.2
517.19000	1.6
519.18323	1.0
531.18658	2.7
535.19714	38.6
536.20654	0.9
553.20789	1.3
565.20703	3.8
583.21857	99.0
584.22131	2.0
697.24902	14.8
727.25714	0.9
745.27124	45.1
746.26971	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	907.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	8.1
69.03449	2.6
71.01382	7.6
73.02940	2.0
81.03456	2.0
83.05020	1.5
85.02966	3.6
87.00876	9.7
89.02437	1.7
93.03458	60.1
96.96027	1.1
97.06578	1.0
99.00912	1.2
99.04504	1.4
101.02448	3.2
105.03430	1.0
105.07185	0.7
109.02972	0.8
111.04508	7.4
113.02444	3.3
115.04005	0.8
119.03471	1.3
129.02008	0.9
133.02985	3.6
134.03729	15.6
135.04524	9.2
136.05322	1.0
137.02444	2.9
151.04001	1.2
155.03513	2.9
160.01640	2.3
161.02444	2.8
161.04578	1.3
162.03235	10.7
173.04538	60.1
174.04866	1.0
177.01889	1.4
178.02650	1.6
179.03500	2.3
191.05586	24.3
205.14496	0.8
221.30186	0.8
231.10245	4.1
244.45697	0.7
257.12903	2.5
258.13156	0.9
275.09235	26.1
301.11899	2.5
302.12265	1.9
303.08817	0.7
303.12201	1.0
351.07156	0.9
352.07678	1.2
353.19754	1.5
371.20715	3.5
413.21805	10.1
449.14508	100.0
450.14816	2.7
603.12079	0.8
841.84375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.303
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44712	0.8
68.97957	0.8
69.03446	6.7
69.35223	3.3
71.01374	8.5
73.02922	1.3
78.12785	0.8
85.02938	3.3
89.02435	6.4
91.65218	0.8
100.79282	0.9
101.02451	4.1
113.02441	24.9
119.03501	2.1
121.02942	1.4
122.03738	1.9
123.86304	0.8
136.01649	47.8
137.02422	1.6
151.03993	90.8
160.05318	1.6
161.04573	5.2
163.04012	1.3
175.07584	1.9
179.05620	6.3
191.05602	0.9
193.04893	1.0
203.07222	0.8
246.93718	0.9
279.06403	0.9
309.11252	1.2
314.93182	0.9
339.12387	1.6
342.11038	3.3
357.13397	100.0
358.13928	1.6
489.17404	1.4
501.17554	6.5
519.18707	49.9
550.02838	1.1
554.36237	0.9
585.31665	0.9
681.23523	1.2
795.27234	8.6
909.30060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	3.4
69.24248	1.8
71.01379	62.0
72.99300	1.3
73.02944	100.0
75.00874	1.9
81.03456	1.2
83.01384	24.8
85.02950	17.4
87.00871	2.4
89.02440	25.9
95.01383	7.6
97.02959	2.1
98.22608	0.9
99.00876	1.7
99.04446	0.4
101.02439	96.6
102.02742	0.5
113.02446	59.1
119.02643	1.0
119.03498	19.6
121.06579	2.1
125.02428	4.2
131.03500	12.4
135.04515	1.6
137.09723	20.8
143.03497	15.0
147.02986	1.4
149.04552	27.6
149.09721	0.8
155.03461	2.6
161.04550	53.1
179.03487	1.3
179.05556	2.9
189.12830	6.3
191.05640	1.1
203.05591	6.8
207.13861	1.9
210.45061	0.5
221.06653	20.4
341.08585	0.8
351.18063	1.4
369.18997	1.0
411.15125	0.8
411.20264	12.2
521.19482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	3.2
70.44106	0.8
70.44445	0.8
71.01379	56.3
72.99312	1.6
73.02944	100.0
75.00861	1.5
81.03451	0.8
83.01386	24.6
83.01884	1.2
83.05039	0.8
83.20805	0.5
85.02945	11.0
87.00872	1.9
89.02440	23.2
89.28280	0.6
93.03416	1.1
95.01386	4.0
97.02956	2.8
99.00884	1.2
99.13981	0.7
101.02439	96.1
113.02445	45.7
114.81915	0.7
119.03493	17.8
121.06570	1.7
125.02446	3.8
131.03494	10.9
137.09720	20.2
137.10786	1.2
143.03514	13.0
143.65480	0.7
147.02901	0.9
149.04552	27.6
149.09679	1.1
155.03549	3.7
161.04555	48.9
172.56120	0.6
173.04517	0.8
179.03448	1.6
179.05600	2.3
189.12805	5.8
191.05548	2.0
203.05591	8.1
207.13898	2.1
221.04491	1.0
221.06650	21.1
351.17999	1.5
369.18991	2.0
411.20261	8.6
440.76398	0.7
450.38467	0.8
499.16064	0.8
839.27905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45385	4.8
69.20547	27.1
71.01377	66.7
73.02940	37.0
77.58893	4.3
83.01385	11.9
85.02944	22.2
89.02448	21.1
95.01393	6.8
98.22609	10.0
101.02434	41.0
106.41254	5.4
113.02462	20.7
119.03500	7.2
131.03459	5.4
143.03520	7.8
149.04639	4.8
161.04527	26.3
179.05710	9.9
191.05687	7.6
203.05588	15.1
255.46709	5.2
274.94037	5.3
371.20596	28.4
413.21698	100.0
522.18066	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	915.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	2.8
71.01378	57.1
73.02943	100.0
74.70731	1.3
75.00828	1.5
83.01382	24.8
85.02941	17.7
87.00844	3.3
89.02441	19.2
93.03407	1.8
94.34856	1.4
95.01379	3.7
99.00844	3.1
101.02439	89.1
113.02446	39.2
119.03532	13.4
119.79125	1.5
125.02416	2.9
131.03490	11.9
135.04532	22.4
143.03491	12.1
149.03464	2.4
149.04550	26.7
155.03481	2.1
161.04558	52.0
179.03479	19.2
179.05026	2.0
179.05598	1.9
179.07021	1.6
189.12915	2.0
191.05585	5.8
198.71999	1.3
203.05597	5.3
207.13910	4.3
221.06647	35.5
307.88931	1.7
338.56763	1.4
341.08765	16.9
355.21118	2.2
369.19153	4.2
373.22379	20.7
403.73285	1.6
411.20142	10.9
415.23358	56.3
542.58197	1.6
726.67755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.7
71.01378	64.8
72.01734	2.3
72.99297	1.1
73.02945	91.8
74.03271	4.3
75.00862	1.6
78.24102	1.0
83.01385	23.0
85.02949	21.1
87.00856	3.2
89.02436	31.9
90.02789	1.2
93.03428	2.1
94.58647	1.3
94.71182	1.1
95.01385	7.8
97.02946	2.6
99.00889	2.4
101.02440	100.0
102.02760	5.2
103.02895	1.6
113.02443	54.9
114.02789	2.2
119.03498	20.3
125.02422	3.5
131.03499	11.8
134.03751	1.3
135.04486	2.3
137.09721	16.9
143.03502	11.9
144.03795	1.1
147.03062	1.2
149.04547	27.0
149.09689	1.4
150.04889	1.4
155.03500	2.9
159.02963	1.5
161.04552	55.8
162.04860	3.5
163.04950	1.9
173.04512	2.3
179.03389	1.7
179.05568	4.7
189.12872	4.4
191.05696	8.0
203.05551	5.9
207.13759	1.8
221.06665	17.1
258.17120	1.1
275.09326	1.2
301.03604	2.4
307.11844	1.5
371.20651	4.5
372.21072	1.3
373.22250	7.3
411.20233	7.0
412.20422	1.9
413.21756	18.4
414.22250	3.8
415.23303	30.6
447.09518	2.3
467.15228	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.423
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	29.4
71.41532	1.4
73.02937	10.0
83.01380	5.2
85.02949	15.6
87.00874	1.9
89.02444	6.9
93.03455	2.9
95.01388	3.0
99.00250	0.9
99.00885	4.6
101.02433	20.8
113.02440	16.7
119.03488	3.4
125.02428	1.3
127.04053	1.0
128.47745	1.2
129.02002	1.0
141.75395	0.9
143.03491	1.2
144.97681	1.0
159.02980	1.2
161.04550	10.0
173.04578	1.3
191.05646	8.2
194.74834	1.1
202.46161	1.1
203.05556	1.2
209.15472	7.3
221.06624	1.2
242.14149	1.1
278.21292	1.1
353.19626	29.2
371.20724	29.0
372.21204	1.2
413.21783	100.0
414.22247	2.6
449.14395	1.8
631.13818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74075	0.7
67.01890	0.9
69.03421	0.9
69.30759	2.1
69.31153	1.6
71.01379	31.5
72.99350	0.8
73.02943	16.3
74.03278	0.9
76.20756	0.8
81.66145	0.7
83.01378	4.9
85.02950	12.2
87.00851	1.0
89.02439	12.2
93.03455	2.7
95.01392	2.3
97.02916	0.9
99.00898	2.2
101.02442	22.3
102.02767	1.0
104.73815	0.7
110.23462	0.6
112.27308	0.7
113.02442	14.8
119.03486	4.7
125.02443	1.2
131.03462	1.1
135.04549	1.2
137.02370	1.0
143.03436	2.2
149.04538	2.6
159.02980	0.8
161.04546	10.3
173.04520	1.4
179.05609	2.9
191.05553	4.4
191.14348	0.7
203.05602	4.5
207.07034	0.7
207.77626	0.7
209.15404	1.2
221.06534	0.8
221.08408	1.1
261.98260	0.7
295.11911	1.2
353.19632	6.1
362.82095	0.8
371.20740	11.5
413.21771	100.0
414.22110	2.2
415.22421	1.3
467.15646	0.9
505.20392	0.9
829.99115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	24.3
73.02948	8.6
78.29754	1.2
80.36040	1.2
83.01394	3.0
83.05027	1.7
85.02940	11.0
87.00887	3.2
89.02449	10.9
93.03465	7.7
95.01387	1.8
101.02448	16.5
105.70585	1.2
107.38718	1.4
113.02441	12.5
119.03505	4.7
135.04584	1.4
161.02432	1.3
161.04527	3.5
171.13652	1.4
173.04543	6.3
179.05684	2.2
191.05598	14.9
205.08672	3.9
269.69131	1.4
295.48117	1.6
353.19479	6.9
371.20691	13.7
413.21786	100.0
414.21741	2.3
449.14664	4.1
589.38135	1.6
648.04614	1.8
707.75177	1.8
729.29016	1.5
821.82538	1.5
878.28046	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	915.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.5
71.01390	0.3
71.42653	0.2
88.57790	0.2
93.03463	0.4
101.02434	0.4
107.01389	0.7
108.02138	0.3
109.02950	0.4
113.02459	0.4
121.02932	0.4
125.02431	0.4
135.00865	0.5
137.02467	0.4
148.01651	0.2
151.00374	3.4
151.68756	0.2
159.26842	0.2
161.02475	0.3
163.00400	1.1
163.03999	0.2
164.01166	0.2
165.01859	0.2
169.01396	0.3
173.04553	0.5
174.03255	0.4
175.04042	0.2
178.99860	2.5
188.04686	0.2
190.02646	0.4
190.99892	0.2
191.03923	0.2
191.05597	1.2
193.01468	0.2
199.03926	0.4
215.03397	0.2
216.04163	0.2
226.02713	2.8
227.03482	1.5
243.02960	7.4
245.04364	0.3
254.02199	3.0
255.02982	4.6
256.03296	0.3
271.02469	35.3
272.03073	2.2
275.09290	0.2
283.02280	0.2
284.03302	0.3
299.02042	0.3
300.02734	46.8
301.03482	11.3
302.03555	0.6
343.04617	0.6
449.14590	0.3
450.14908	0.3
463.08804	100.0
464.08981	2.4
465.09351	0.8
650.02850	0.2
805.49023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02778	0.8
67.01894	0.8
68.47376	0.7
69.03452	2.4
69.05331	4.0
69.05735	1.3
71.01377	11.9
72.10413	0.7
73.02924	1.0
80.05061	1.7
83.01392	0.9
84.24827	0.7
85.02943	3.3
87.00868	1.5
87.04501	2.4
89.02444	8.0
93.03458	1.2
95.01353	1.2
96.95981	1.5
98.22616	1.5
101.02448	7.1
104.05052	0.8
106.06614	4.1
107.03741	0.8
113.02451	10.1
119.03504	1.9
121.05299	0.9
122.06113	5.9
123.68401	0.7
131.03474	2.2
132.04547	2.1
134.06123	25.7
135.04538	1.5
152.07164	3.3
160.03999	1.8
160.06396	3.1
160.98169	0.8
161.04759	1.0
173.04623	0.8
174.05559	1.0
176.26785	0.8
179.05623	0.7
190.05054	3.0
191.05611	4.0
209.11765	1.0
213.10345	11.5
223.08696	0.8
225.10240	0.8
226.11118	1.6
231.95525	0.7
239.11884	7.6
241.13438	6.3
249.10130	0.9
251.11819	3.3
263.08298	0.9
267.11322	1.1
277.09732	1.8
285.12445	14.8
293.09494	0.8
293.12994	1.7
294.75418	0.8
305.09393	2.0
307.10721	1.1
328.10757	2.5
337.11804	2.0
340.14267	1.0
341.11630	1.3
342.12521	1.2
343.13232	2.3
344.13965	1.4
354.12430	0.9
356.14005	2.7
356.17947	1.1
357.14999	1.7
358.15594	5.9
368.09998	1.1
368.14020	1.3
370.11435	1.2
370.15482	3.0
372.17197	1.2
384.13394	4.6
384.17514	1.2
385.14594	0.8
396.13559	2.6
397.14114	1.7
398.15082	4.3
400.16678	10.4
410.14859	2.6
412.16586	7.5
426.14557	2.0
438.14578	1.3
444.15582	2.5
517.18311	0.8
531.19824	1.0
545.21893	0.9
573.20941	1.2
591.22382	1.2
725.27802	1.6
727.29706	3.9
743.29114	2.5
753.27747	2.0
759.32422	1.0
771.28802	100.0
772.29071	4.2
803.31378	40.3
804.30969	1.1
885.31958	36.2
886.31659	2.1
917.34625	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	917.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76487	4.7
71.01387	23.3
89.02457	20.4
101.02452	17.7
113.02444	15.3
119.03513	5.3
125.02460	12.4
161.04510	7.8
171.10454	5.3
201.11333	100.0
208.68442	5.4
209.11824	96.1
225.11571	4.9
227.12868	23.2
235.08267	9.5
247.63731	5.0
255.23280	77.7
287.07538	5.7
323.46878	5.0
334.85892	4.9
342.72330	4.4
379.12631	35.5
385.27533	5.1
397.13480	88.6
398.13687	4.5
415.14609	14.6
581.24493	11.3
589.24976	18.7
599.26398	6.7
607.26306	8.9
635.36310	21.1
653.37634	47.3
837.48273	37.3
845.49042	10.5
917.49042	89.1
918.48096	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	919.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12077	1.9
71.01360	0.9
73.02945	2.3
83.01382	0.6
85.02956	0.6
89.02409	0.3
93.03416	0.4
95.01404	0.7
96.96006	1.0
98.21870	0.5
101.02458	1.6
109.85887	0.3
113.02433	0.6
116.92829	0.6
123.04480	0.5
124.88795	0.3
132.04546	0.8
134.06099	1.3
139.03885	0.3
148.86551	0.3
152.07153	0.5
155.03464	1.4
158.02458	0.9
159.05536	0.4
168.41060	0.3
173.04477	0.4
190.05070	2.7
191.05606	1.2
192.06592	1.0
198.09216	2.3
202.08665	0.5
209.11876	0.5
212.05904	0.6
214.08736	0.5
217.15117	0.3
218.83128	0.3
223.08781	0.7
226.07431	1.8
228.08983	3.6
239.11877	12.6
241.09810	72.6
242.10112	0.8
243.11365	1.5
255.11349	1.2
256.12158	40.6
257.12384	0.5
291.07700	0.7
295.10880	0.4
300.11151	9.7
309.08786	0.8
314.12604	0.4
315.13489	100.0
316.13834	1.4
323.10440	1.7
337.11957	3.4
338.12579	1.4
357.14774	0.5
398.15030	0.4
517.18353	0.7
559.19324	14.8
560.20135	4.2
713.37958	0.6
767.29022	1.5
799.32294	1.2
831.35980	0.3
875.33600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34044	1.5
69.03455	13.0
71.01377	72.9
73.02944	34.7
83.01388	13.3
85.02953	26.7
87.00877	2.6
89.02441	27.4
92.62573	1.7
95.01388	6.7
96.96045	2.7
99.00873	7.0
101.02438	50.5
113.02446	100.0
117.36399	1.7
119.03511	15.1
119.04941	2.0
123.08160	6.6
125.02459	2.5
131.03508	2.4
139.04041	2.3
143.03514	6.6
149.04533	4.9
159.03008	5.2
161.04564	36.5
161.09711	2.5
163.11264	10.3
173.04709	2.2
179.05638	16.4
189.12811	12.6
191.05594	6.1
205.08693	5.4
207.13898	19.4
220.85071	1.7
221.06635	2.1
225.14935	6.2
313.16443	6.0
331.17575	19.7
373.18655	70.0
374.18942	2.8
387.20224	48.0
458.03400	1.7
458.10947	2.2
501.23358	25.8
517.18799	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	919.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34044	1.5
69.03455	13.0
71.01377	72.9
73.02944	34.7
83.01388	13.3
85.02953	26.7
87.00877	2.6
89.02441	27.4
92.62573	1.7
95.01388	6.7
96.96045	2.7
99.00873	7.0
101.02438	50.5
113.02446	100.0
117.36399	1.7
119.03511	15.1
119.04941	2.0
123.08160	6.6
125.02459	2.5
131.03508	2.4
139.04041	2.3
143.03514	6.6
149.04533	4.9
159.03008	5.2
161.04564	36.5
161.09711	2.5
163.11264	10.3
173.04709	2.2
179.05638	16.4
189.12811	12.6
191.05594	6.1
205.08693	5.4
207.13898	19.4
220.85071	1.7
221.06635	2.1
225.14935	6.2
313.16443	6.0
331.17575	19.7
373.18655	70.0
374.18942	2.8
387.20224	48.0
458.03400	1.7
458.10947	2.2
501.23358	25.8
517.18799	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	921.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08416	5.8
69.08837	2.0
71.01383	11.1
73.02941	16.4
80.05059	2.4
83.01391	3.2
85.02931	1.5
87.00869	1.4
89.02413	3.7
93.03461	3.1
101.02445	9.8
104.05100	1.1
106.06628	3.1
107.05011	2.8
108.04630	0.9
113.02450	5.0
115.01155	1.0
119.03503	1.9
120.08183	1.1
122.06104	7.9
125.88108	1.1
131.03526	1.2
132.04561	1.9
134.06120	21.9
135.04604	1.5
136.07680	1.7
139.03972	1.2
143.30789	1.0
146.06035	1.2
152.07201	4.1
154.81931	1.1
160.04044	1.1
173.04552	3.0
174.05582	1.6
188.07242	1.9
190.05032	1.3
191.05547	1.9
211.08737	1.2
213.10355	7.0
218.38113	1.0
224.09439	1.3
225.10454	2.0
227.11809	2.2
235.08636	1.2
237.10271	2.7
239.11847	4.3
241.13432	4.1
249.10327	1.5
250.07442	1.4
251.08229	3.3
251.11890	3.4
252.09109	1.7
253.09798	4.2
263.08243	3.5
265.09766	3.5
267.11395	2.9
273.11453	1.3
277.09808	5.2
278.07251	2.6
278.10568	5.2
279.07675	5.1
279.11334	4.0
285.12415	10.4
291.07764	1.5
291.11166	1.4
292.08386	1.3
292.11765	1.0
293.09375	9.8
293.12527	1.9
294.10132	2.5
295.10797	4.7
296.11313	2.6
305.09314	2.8
307.10782	4.2
309.12378	2.5
314.12411	1.7
321.08722	2.6
336.76624	1.2
337.08261	1.6
339.09714	3.6
351.09750	2.5
356.13626	1.4
357.14914	1.7
358.15607	2.4
366.12811	1.4
370.11734	1.2
370.15897	1.4
372.17157	1.4
381.75525	1.3
384.13425	1.9
385.13751	1.2
398.15021	2.4
400.16928	6.1
410.14975	1.7
412.16830	5.2
425.17737	1.4
440.15955	1.2
449.14395	2.1
458.17438	1.7
486.16788	1.8
620.22968	1.8
646.25067	1.6
662.23846	1.7
663.24237	1.7
678.26569	1.6
680.24646	3.9
690.22632	2.5
691.23669	4.3
708.24170	23.5
709.25751	1.2
722.25482	5.7
740.26581	1.4
754.28278	15.2
769.30676	6.8
777.94189	1.3
801.33630	1.7
813.29889	56.0
814.29510	3.4
845.32434	100.0
846.32898	4.6
877.35095	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.7
68.99816	0.8
69.03460	1.0
70.60093	0.3
71.01381	10.4
71.42628	0.3
72.99314	1.6
73.02940	2.4
75.00872	5.4
81.03484	0.4
83.01405	0.9
85.02946	11.4
87.00871	3.8
89.02450	3.3
91.04012	0.7
91.05535	12.3
93.03465	1.1
95.01377	2.8
99.00880	3.4
101.02435	1.4
103.00373	1.4
109.02899	0.4
111.00869	0.9
112.01691	0.4
113.02450	14.8
115.00347	0.7
117.01937	1.0
117.03473	1.3
121.02958	26.7
122.03328	0.5
129.01953	1.1
135.04524	5.2
136.04861	0.6
137.02405	0.7
139.00322	0.4
149.04602	0.4
173.04642	0.4
175.02441	1.0
191.05591	1.3
207.05124	0.8
231.05115	0.9
249.06143	12.7
249.08734	0.8
263.07675	6.1
267.07193	35.8
279.08820	0.4
339.10989	0.5
341.12448	2.0
343.52728	0.4
385.11380	100.0
386.11694	2.4
387.09061	0.5
461.69595	0.4
505.33182	0.4
636.79700	0.4
716.75336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54823	1.9
64.98275	1.9
66.13077	1.8
67.18460	1.8
70.81034	3.4
71.01380	15.1
82.95403	10.0
83.05024	3.2
85.02953	2.3
89.02435	11.6
95.01482	2.5
97.02935	2.1
97.38510	2.2
101.02435	7.7
113.02453	5.8
113.48197	2.0
116.92854	8.2
119.03493	6.5
121.30070	1.9
125.02444	4.7
131.51839	2.8
143.03413	2.3
161.04582	2.8
165.12802	2.8
171.10213	2.3
179.05602	7.5
209.11821	100.0
227.12862	23.5
235.08202	5.1
259.08005	2.9
277.21704	45.1
305.08859	3.8
379.12378	13.7
397.13531	63.3
415.14487	10.9
558.22437	2.8
589.24963	6.7
607.26117	9.9
657.34863	3.7
675.35773	4.7
867.46979	4.0
921.45972	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85626	46.3
94.99722	47.7
108.96616	41.2
115.71772	41.7
116.42173	47.4
128.14088	41.8
133.69319	40.5
152.94771	48.2
155.89832	44.8
161.44971	49.3
178.89787	54.7
185.61787	43.2
209.11835	100.0
251.02859	55.6
355.36917	50.8
407.13910	43.9
441.32642	56.4
545.03943	49.6
574.09198	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59837	0.8
67.01872	2.5
71.01366	1.3
73.02911	1.0
73.75467	0.8
81.03477	1.1
83.05023	4.9
87.00878	1.3
93.03463	12.2
109.02961	2.0
111.04518	12.1
117.08034	0.8
121.02954	6.5
123.24716	0.9
127.03963	2.6
134.03783	1.0
135.04521	2.4
137.02460	7.6
147.04488	3.0
149.02443	44.8
150.02936	0.9
152.01132	1.7
155.03499	30.0
160.06526	0.9
161.02463	1.3
163.04015	3.0
164.04794	48.5
165.05341	1.6
169.05058	1.0
173.04552	45.8
175.00352	4.7
179.03604	1.1
179.07140	13.2
182.84801	0.9
190.02710	23.4
191.03516	2.9
193.01378	3.6
201.14769	0.9
205.05048	31.7
208.03754	16.7
223.06113	71.4
224.06570	1.1
243.06679	1.7
350.80573	0.9
364.07919	3.7
379.10355	31.0
385.11398	1.8
397.11316	1.3
442.27667	1.0
461.47220	1.0
541.15613	10.6
603.17035	16.5
604.17096	1.1
640.38538	1.0
765.22443	100.0
766.23047	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	927.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99844	3.9
69.05866	25.8
69.32846	4.0
77.61528	5.2
93.03456	24.7
93.75381	5.6
101.26376	4.0
111.04534	7.7
121.02927	9.2
135.04466	4.9
137.02438	18.1
147.04590	4.6
149.02448	71.3
155.03482	25.1
158.20193	4.4
161.02409	3.8
161.66293	4.2
164.04788	74.2
173.04549	44.5
175.00414	5.6
179.07137	12.3
190.02646	27.8
193.01402	5.4
202.56023	3.9
205.05080	26.4
208.03827	14.7
223.06108	100.0
311.91818	4.1
316.69180	4.2
364.08276	4.8
379.10315	44.4
387.14542	4.6
391.07526	4.1
470.92282	4.6
541.15485	5.7
603.16986	32.1
765.22455	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51743	2.3
69.52139	1.7
81.03450	3.3
83.01401	6.3
85.02950	6.1
88.81937	1.0
93.03471	4.2
93.81420	0.9
93.96429	0.9
95.05035	2.1
97.02937	5.5
107.05008	1.9
108.02151	1.1
109.02954	21.2
111.74852	0.9
117.03484	1.3
121.02937	4.1
122.03800	1.1
123.04521	13.9
125.02444	100.0
127.04012	1.4
131.05005	1.3
133.02959	5.5
135.04565	4.4
137.02437	22.2
139.04039	3.0
145.02899	1.1
147.04459	1.2
149.02437	5.2
150.03256	1.8
151.03989	15.1
159.04546	2.9
160.05350	1.2
161.02438	29.6
161.06096	6.7
162.03224	3.1
163.00400	2.2
163.04007	3.4
164.01161	4.3
165.01917	5.9
167.03432	2.0
172.35225	0.8
173.05984	1.0
174.03185	1.2
175.04027	9.8
175.07593	1.6
177.01947	5.0
177.05574	1.0
179.03523	6.3
185.06094	1.7
187.04008	7.4
188.04813	3.3
189.05457	1.3
191.05600	53.6
199.03976	1.6
201.05602	2.0
202.06384	2.2
203.03450	2.7
203.07162	9.9
205.01381	2.5
205.05054	9.8
212.04889	1.2
215.03496	1.3
217.05011	2.2
221.08224	3.0
227.03555	2.0
227.07109	2.9
228.04243	2.6
229.05154	5.0
230.06027	1.1
231.02852	1.4
243.02943	3.4
243.06630	1.1
245.04539	6.4
245.08176	18.3
247.05978	1.0
255.02985	9.0
256.03748	6.6
257.04456	1.3
269.04636	2.8
271.05936	1.1
273.04080	4.8
281.04492	5.0
283.02573	2.1
285.04068	4.8
287.05557	14.2
289.07156	69.2
297.04221	1.0
299.05646	5.9
329.06543	1.1
339.08792	5.8
353.08878	5.4
378.79605	0.9
381.09787	1.4
407.07687	65.8
408.08096	1.2
425.08728	74.5
426.09155	2.8
439.10281	1.8
451.10345	20.1
533.14569	1.0
559.12250	3.6
577.13464	81.2
578.13751	3.9
661.47180	1.1
838.07721	1.0
906.82489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.8
69.51859	3.1
81.03438	2.3
83.01379	4.7
85.02950	1.8
93.03464	3.3
95.05045	2.3
97.02960	4.3
105.03445	0.8
107.05022	1.7
108.02198	0.8
109.02949	17.6
117.03494	1.1
121.02959	3.0
122.03765	1.4
123.04511	14.7
124.01636	0.8
125.02442	100.0
126.02774	1.5
133.02965	5.6
135.04517	3.3
137.02437	20.4
139.03999	3.2
145.02954	1.2
146.03734	1.2
149.02458	6.1
150.03210	2.0
151.03996	15.2
159.04506	3.8
160.05196	0.9
161.02449	32.2
161.06055	4.7
162.03192	1.9
163.00389	1.5
163.04054	2.7
164.01144	5.9
165.01939	5.6
167.03526	2.0
173.06023	1.2
174.03195	1.1
175.03984	11.6
175.07610	1.7
177.01949	5.6
178.02705	1.1
179.03474	6.3
183.04526	0.8
185.06000	1.1
187.03981	8.1
188.04784	3.5
189.05519	1.4
191.05600	28.3
199.04022	1.0
201.05569	1.9
202.06380	1.6
203.03444	1.3
203.07135	11.3
205.01375	2.4
205.05025	7.7
211.04099	1.0
212.04759	1.0
213.05580	1.8
214.02759	0.9
215.03514	2.6
217.05061	2.1
221.08359	1.8
225.05602	1.2
227.03491	2.2
227.07175	1.4
228.04207	1.7
229.05060	3.3
230.05927	1.0
231.02879	1.3
243.02945	2.7
243.06572	0.9
245.04524	5.6
245.08163	16.1
247.06075	1.3
253.05157	1.2
255.02992	10.7
256.03754	5.8
257.04553	2.3
269.04587	1.6
271.06097	1.1
273.04034	4.7
281.04553	4.7
283.02499	1.9
284.03281	1.0
285.04080	4.2
287.05560	12.0
289.07169	55.1
290.07578	1.6
297.04117	1.2
297.07434	1.2
299.05557	6.3
339.08670	5.6
353.08548	1.9
363.09070	1.2
381.09863	2.1
389.06232	1.1
407.07672	62.3
408.07993	2.9
425.08768	74.4
426.08987	2.6
451.10370	18.3
524.99585	1.0
559.12250	2.3
577.13507	67.9
578.13770	1.9
579.14673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	7.9
68.46532	0.5
69.03452	2.6
69.08404	2.8
71.01372	3.9
73.02946	0.8
81.03453	1.7
83.05025	1.0
85.02950	2.5
87.00877	10.0
89.02472	0.6
92.13982	0.5
93.03456	60.6
94.03787	1.1
97.06609	0.6
99.00845	0.9
99.04526	0.7
101.02466	1.3
105.03462	0.7
106.04250	4.9
108.02178	0.7
109.02952	1.6
111.00860	0.7
111.04523	8.8
113.02451	2.3
115.04036	0.8
123.04475	0.7
127.04062	1.2
129.01952	1.9
132.02168	1.1
133.02939	3.1
134.03738	15.6
135.04517	11.7
136.05243	1.8
137.02423	2.6
145.02930	0.9
150.03230	1.0
151.04042	1.2
155.03503	3.5
160.01653	2.8
161.02467	2.9
161.09714	11.2
162.03229	10.5
173.04544	52.2
177.01947	1.4
178.02731	1.6
179.03462	2.9
191.05598	26.7
199.02318	0.6
205.08684	39.7
206.09204	0.7
209.11792	0.9
231.10197	3.5
252.10526	0.6
257.08157	1.1
275.09241	27.0
291.72372	0.6
294.16266	0.7
308.09061	1.4
351.07230	1.3
352.07861	1.6
367.14032	3.5
395.10498	0.6
405.20901	0.8
432.79724	0.7
449.14508	100.0
450.14795	1.6
481.17157	2.5
540.32465	0.6
547.46149	0.7
558.84473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67353	7.0
71.01376	50.2
73.02943	20.3
77.03070	1.7
83.01388	7.0
83.41376	1.6
85.02946	17.7
89.02441	20.1
93.03464	2.8
95.01392	5.4
98.22659	2.2
99.00859	4.8
101.02441	37.5
113.02448	26.6
115.74522	1.8
119.03487	8.0
131.03523	2.9
131.90103	1.7
137.02457	2.0
143.03464	3.4
149.04553	2.3
151.10905	1.5
159.02982	3.1
161.04553	20.5
173.04509	2.1
174.57744	1.6
179.05626	2.7
191.05606	3.5
204.33719	2.0
244.34093	1.8
253.04236	2.0
369.19174	5.0
371.20584	5.7
387.20209	28.0
413.21848	38.0
429.21271	100.0
430.21661	1.9
467.15585	2.8
718.55627	2.2
911.47992	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	931.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47380	5.9
69.47784	4.6
71.01012	5.1
71.01378	65.9
73.02937	30.0
83.01379	9.3
84.15443	2.7
85.02945	26.1
87.00861	3.7
89.02438	22.1
93.03453	5.3
95.01405	6.5
96.95998	10.4
101.02439	44.8
107.95268	2.8
113.02455	31.0
119.03499	7.0
133.02907	2.8
143.03508	4.7
149.04532	4.4
159.02992	6.7
161.04547	23.5
169.02739	2.9
173.04549	10.1
173.62296	2.8
176.08374	4.2
179.05617	3.8
182.02171	3.5
191.05632	17.3
191.10794	3.2
197.04507	5.1
203.05615	9.6
220.07431	17.8
225.14809	3.8
228.22182	3.5
235.09743	64.8
359.09573	4.6
366.49088	3.0
369.19003	7.9
371.20505	4.3
387.20157	37.1
397.14850	5.1
413.21777	19.0
429.21301	100.0
467.15967	4.0
481.37415	3.6
533.26227	14.4
790.72620	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	931.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60905	6.2
71.01398	12.2
89.02453	14.4
113.02421	9.7
115.14159	5.8
125.26045	6.6
125.76933	7.2
178.29703	7.0
185.82867	7.8
199.78445	8.0
209.11838	100.0
227.12833	23.5
255.23204	32.4
266.73978	9.0
354.23779	7.9
354.93405	7.6
379.12515	12.7
397.13617	33.3
434.96155	7.5
466.12350	7.7
512.19836	7.2
589.25226	11.1
653.37439	28.4
845.50348	9.1
931.50439	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.5
68.07266	0.1
68.99819	0.3
69.03454	0.4
71.01379	6.3
72.99302	1.9
73.02934	0.7
75.00871	8.2
83.01385	0.5
85.02950	9.2
87.00869	3.1
89.02428	1.5
91.04008	0.2
93.03461	0.3
95.01385	3.0
99.00265	0.3
99.00880	4.7
101.02438	0.4
101.06078	54.6
102.06425	0.4
103.00359	0.8
109.02970	0.3
111.00874	0.4
111.04473	0.2
113.02448	11.6
115.00369	0.8
117.01936	1.7
125.02434	0.2
129.01941	1.0
133.02843	0.2
157.01459	0.3
173.04538	0.2
175.02472	1.0
189.04103	0.2
191.05652	0.5
205.07150	0.4
231.05093	1.4
249.06148	8.6
267.07281	1.0
291.10852	0.8
313.35196	0.2
333.11798	1.2
351.12936	100.0
352.13290	1.0
375.54526	0.2
432.69507	0.2
547.24188	0.2
578.22955	0.4
724.05493	0.2
764.20947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59447	0.7
71.01387	0.5
73.02959	0.5
96.74946	0.4
98.79845	0.4
104.24411	0.4
131.03755	0.5
142.28517	0.4
144.04568	2.9
146.06113	100.0
147.06479	0.9
161.04561	1.1
173.26155	0.5
190.05092	18.0
191.34454	0.4
237.50125	0.5
308.11365	2.1
352.10336	61.9
353.10690	1.1
466.13657	1.2
617.16748	0.5
624.37390	0.5
837.64136	0.5
903.93359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.9
71.01086	0.4
71.01382	4.1
79.05502	0.6
83.01382	0.8
85.02924	0.8
87.00817	0.5
89.02440	2.2
93.03452	2.0
94.29647	0.5
95.04987	0.7
101.02448	3.0
108.04560	0.7
113.02470	3.1
119.03485	0.9
120.04545	2.7
121.05360	2.1
121.96851	0.4
122.06113	7.6
131.03566	0.7
134.03720	0.5
134.06108	4.8
135.04552	1.2
135.06902	1.9
136.07677	15.1
139.04008	0.5
146.06149	0.5
148.07642	0.7
152.07185	0.5
153.31718	0.5
158.02428	1.0
160.04025	1.3
161.07147	1.3
162.05632	1.1
171.11749	2.6
172.07553	0.6
173.04530	1.7
179.05576	1.4
186.09248	0.9
190.05080	6.5
191.05617	3.9
192.06633	1.6
198.09288	2.3
199.10019	2.4
214.07481	0.9
214.12364	15.0
216.08971	0.4
225.06737	0.6
226.07549	1.3
227.08212	3.1
228.08984	1.1
229.09795	5.9
230.11882	4.9
233.06940	0.5
236.92259	0.5
239.12004	0.5
241.09821	7.8
242.10593	22.9
256.12112	0.6
257.12946	100.0
258.13287	1.0
283.10843	0.9
291.07776	1.4
301.11923	94.6
302.12265	2.0
305.09198	2.0
306.10153	0.9
309.08762	1.4
314.12418	0.5
323.10419	1.9
337.11932	4.9
338.12735	2.0
357.14536	0.6
357.25677	0.5
449.14502	1.6
485.15845	1.4
486.16464	2.6
517.18262	36.0
518.18994	6.2
555.19611	1.2
600.19568	1.4
631.21295	6.2
632.22418	1.6
743.28467	0.8
775.31897	1.9
787.27954	2.7
819.30634	4.8
819.43567	0.7
901.31927	1.5
933.33972	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	933.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12414	27.3
71.01383	100.0
73.02945	32.7
83.01385	16.4
85.02937	56.0
89.02451	24.6
93.03445	13.0
95.01404	9.0
96.95998	13.9
97.02947	5.1
99.00883	11.3
99.92556	4.8
101.02443	59.0
113.02453	53.7
119.03501	5.9
120.51755	4.8
125.02418	5.9
129.29173	5.1
129.55678	6.0
143.03450	6.2
160.06129	4.8
161.04579	34.0
179.05716	6.7
191.05615	16.2
206.55342	5.7
209.11772	8.6
223.13368	6.2
344.08734	5.0
361.12988	56.5
381.22720	14.4
399.23788	31.5
403.14090	32.8
441.24881	73.0
713.33429	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	939.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	13.3
69.03446	3.8
69.13853	4.2
71.01013	1.2
71.01382	13.5
73.02942	3.1
81.03445	3.2
83.01413	1.1
83.05022	2.8
85.02969	3.8
87.00875	14.1
89.02448	3.3
93.03456	97.1
96.96021	0.9
97.06599	0.9
99.00887	2.2
99.04530	1.5
101.02448	5.3
108.71174	0.7
109.02946	1.2
111.04517	15.1
113.02439	7.1
119.03527	1.1
122.06175	0.8
129.01952	2.0
133.02936	1.5
134.03735	23.9
135.04561	4.0
137.02449	4.4
139.03979	1.7
143.03378	0.9
153.01845	0.8
155.03465	5.9
161.04552	2.7
171.18422	0.8
173.04544	95.7
174.04900	0.8
177.01891	1.5
178.02705	4.1
191.05521	4.3
231.10248	1.3
275.09348	1.6
287.04205	0.7
304.81305	1.0
307.11853	8.5
309.57645	0.9
353.19626	1.7
371.20746	4.1
413.21829	20.7
449.14462	10.9
467.15491	3.3
481.17151	100.0
482.17459	2.1
777.37512	1.4
907.60455	1.0
930.72876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.3
69.03445	1.0
69.08609	3.1
71.01005	0.7
71.01374	6.7
73.02949	3.4
80.09406	0.4
83.01377	1.2
85.02943	3.1
87.00883	2.1
89.02459	2.3
93.03451	11.3
95.01373	0.5
101.02431	4.7
103.04018	0.5
106.04240	14.6
111.04510	1.6
113.02430	3.8
119.03514	1.0
124.91405	0.4
134.03726	1.4
135.04501	0.9
137.02414	1.0
139.03993	1.0
150.03198	1.6
161.04526	1.7
161.09712	32.5
173.04550	9.1
178.02725	1.2
179.03471	0.6
179.05583	0.4
191.05586	1.3
205.08681	100.0
206.09039	1.5
317.69931	0.5
353.19571	2.2
367.13953	9.6
371.20712	4.0
413.21777	20.6
435.19940	0.6
436.19989	0.5
449.14383	7.2
481.17093	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	939.6418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65547	0.4
65.91758	0.4
68.01605	0.4
70.77276	0.4
71.34553	0.4
74.22664	0.4
83.05041	0.8
109.04002	0.4
130.98550	0.5
145.42491	0.4
150.03236	0.6
155.62213	0.4
164.49092	0.4
167.03444	0.8
195.39139	0.4
225.16081	0.8
266.60757	0.4
394.07303	0.5
451.32980	0.7
903.66669	2.3
939.64148	100.0
940.64246	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	941.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.7
71.01386	1.0
71.41327	0.2
73.02927	0.2
85.02937	0.4
86.15459	0.2
89.02436	0.7
91.05545	0.3
93.03474	0.5
93.15028	0.2
101.02427	0.6
107.33685	0.2
109.47995	0.2
113.02452	2.8
119.05024	73.4
120.05365	0.6
120.96688	0.2
128.64285	0.2
147.04541	0.2
161.04514	0.6
162.05544	0.3
163.04004	100.0
164.04314	1.0
165.05539	0.7
179.05588	0.6
189.12836	0.3
207.13953	0.4
242.94154	0.2
274.95346	0.2
308.83853	0.2
325.09265	36.0
326.09625	0.8
327.10651	0.5
345.35403	0.2
387.20108	0.7
439.12408	10.7
501.23642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95970	0.4
71.01376	1.1
76.22653	0.4
100.09099	0.4
100.80690	0.4
101.02422	0.4
104.70190	0.3
113.02437	0.7
122.32951	0.4
131.03772	0.5
133.87117	0.4
144.04556	4.1
146.06116	100.0
147.06464	0.7
151.00354	0.8
160.94040	0.4
161.04561	0.9
172.43736	0.4
186.69962	0.4
190.05089	16.4
191.05573	1.1
227.03543	0.7
228.00650	0.5
242.02203	1.6
243.02948	7.7
257.04495	2.2
270.01740	1.8
271.02460	8.0
278.91437	0.4
285.04080	4.6
286.04837	1.6
299.01920	2.3
300.02710	1.7
308.11404	2.1
314.04324	14.8
315.05148	2.9
323.89093	0.4
352.10355	62.5
353.10776	1.2
357.06183	0.5
396.33533	0.4
477.10376	29.2
478.10675	0.5
695.70081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6704
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26768	0.5
69.10287	2.8
78.90058	0.5
81.03460	4.0
83.05026	10.4
86.20149	0.6
94.97305	0.5
101.34638	0.5
125.07163	0.5
126.79633	0.5
142.37706	0.5
224.17677	2.1
225.16090	7.9
242.18678	1.1
254.02544	0.5
324.26724	0.7
341.29395	0.9
433.31787	1.2
450.34482	0.7
451.32916	7.1
526.30170	0.5
535.77655	0.6
550.42511	0.6
567.45538	0.8
635.94983	0.6
677.49634	1.5
741.73431	0.6
903.66479	100.0
904.66449	5.0
946.66949	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	947.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06149	0.2
69.06552	0.5
104.38966	0.1
106.04243	25.1
107.04573	0.1
109.02952	0.2
121.02974	0.2
137.02469	0.6
138.03246	1.5
140.03152	0.1
146.07338	0.4
150.03229	2.5
151.00336	1.0
152.04758	0.2
161.09715	45.4
162.10033	0.6
166.02705	4.2
167.03497	0.3
177.01903	0.2
179.03531	0.1
181.05061	7.1
182.02229	0.7
191.05620	0.1
205.08684	100.0
206.09021	1.4
214.09680	0.1
247.09624	0.2
278.27332	0.1
359.11234	0.2
367.14001	1.0
387.10825	1.0
402.13141	0.8
417.15546	17.3
418.15958	0.3
725.25690	0.1
757.04382	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	947.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	4.0
71.01379	44.5
73.02936	13.7
83.01354	4.9
83.05039	1.4
85.02943	14.9
87.00876	1.6
89.02439	26.0
93.03457	1.4
95.01383	2.1
97.02981	1.5
99.00888	2.7
100.83415	0.9
101.02437	29.2
106.04253	1.1
107.05027	33.9
113.02446	35.8
119.03522	13.0
130.13760	0.8
131.03514	2.0
134.07397	2.0
137.09729	1.9
139.07614	1.7
143.03502	4.2
149.04593	2.5
149.09717	23.4
149.10849	1.7
151.03998	33.5
153.09227	6.9
159.02983	1.4
161.04567	19.3
167.10762	30.9
179.05611	11.3
203.05634	1.2
207.13965	1.2
221.06673	2.3
225.14917	4.6
243.16025	3.3
313.09277	42.6
405.21268	100.0
406.21658	1.5
427.12476	11.1
443.39465	1.1
519.24481	36.9
680.99103	0.9
732.96143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
92.92883	43.2
111.23004	39.3
143.98198	43.3
209.11893	100.0
390.80457	46.5
798.94543	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.4
69.65513	0.7
85.02946	0.6
89.02424	0.4
90.37975	0.2
93.03456	0.6
101.02444	0.4
101.35970	0.2
104.83138	0.2
107.01389	0.4
113.02451	2.2
123.08150	0.2
125.02377	0.3
151.00354	1.6
153.01965	0.3
159.04504	0.2
161.04512	0.8
163.00317	0.3
163.11337	0.2
173.04546	0.4
178.99866	0.4
179.05533	0.4
185.06102	0.2
187.03902	0.4
187.07683	0.3
189.12775	0.5
191.05605	3.9
207.13870	0.4
211.03993	0.4
213.05544	0.3
227.03485	29.7
228.03938	0.9
229.05054	1.3
229.08589	0.2
240.04315	0.2
241.05032	0.3
255.02968	39.5
256.03690	3.9
257.04498	0.6
257.08295	0.2
258.13904	0.2
284.03253	46.3
285.04001	14.4
286.04236	0.3
299.05643	0.4
327.04977	1.1
333.15475	0.4
337.27908	0.2
387.20071	1.5
431.97421	0.2
447.09293	100.0
448.09567	2.7
449.14526	0.4
501.23203	1.3
800.29663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.439
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03476	0.3
69.39265	0.4
69.39645	0.4
71.01385	0.2
71.05006	0.3
73.02956	1.6
80.05042	0.3
85.02941	0.6
87.04508	0.6
89.02438	0.3
92.05074	0.3
93.03467	0.3
95.01420	0.2
95.05035	0.2
96.04563	0.4
97.02966	0.4
98.03735	0.6
101.49680	0.2
107.05035	0.3
109.02936	0.7
109.06593	1.0
109.70424	0.2
110.06121	0.3
111.04510	0.3
112.01662	0.8
112.04035	0.2
113.02446	3.2
114.05605	0.4
114.93102	0.2
115.03990	0.6
120.05721	0.2
120.08180	0.3
121.06598	0.7
122.03728	0.2
122.09760	1.1
123.04480	0.4
123.08065	0.2
124.01658	0.3
124.05288	0.2
125.02439	0.6
127.04002	1.1
128.07181	0.2
133.06541	0.3
135.08154	0.8
136.07797	0.2
138.03218	1.8
139.00378	0.8
139.04012	5.1
140.01178	0.3
144.00638	0.5
147.08163	0.6
148.07698	0.9
149.06059	0.3
149.09700	0.4
150.03209	0.6
150.06860	0.7
151.03992	0.5
152.04723	0.2
154.08698	0.2
159.08182	0.3
161.09691	0.5
163.07663	0.6
165.09177	0.3
166.08733	1.3
167.03481	0.6
167.07127	0.4
173.04507	0.5
173.09669	0.5
176.08434	0.4
176.10776	0.3
177.09235	0.3
179.05620	0.7
184.09727	0.4
190.12375	0.3
191.10773	0.4
200.10826	0.4
202.12440	0.3
204.13971	0.2
207.06827	0.2
214.12137	0.2
216.13933	0.7
218.11855	0.5
228.13878	0.3
240.14027	0.4
242.15527	1.4
258.15033	0.6
258.18637	0.6
260.12906	0.4
260.16504	1.1
263.95920	0.2
272.16589	0.6
278.77618	0.2
284.16650	0.7
296.20209	0.6
300.16071	0.3
302.14224	0.4
302.17593	7.8
303.14865	0.2
314.21381	1.2
318.17093	0.7
340.19156	1.5
358.20236	9.8
372.21774	0.7
373.68759	0.2
390.22925	2.1
401.18387	0.4
402.19238	1.8
416.20792	3.0
434.21814	100.0
435.22104	1.5
846.14209	0.2
910.10114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.2
69.03471	0.7
69.37690	0.6
70.95766	0.2
71.01379	1.5
73.02935	0.3
81.03443	0.4
83.05008	0.6
85.02947	7.9
87.00879	3.1
89.02427	0.4
93.03456	10.7
95.01388	0.2
99.00871	0.4
99.04521	0.6
101.02399	0.3
105.03463	0.2
109.02969	0.8
111.04519	2.2
113.02449	1.5
117.03419	0.3
127.04008	2.7
129.01947	0.3
133.02959	0.9
134.03735	1.2
135.03528	0.2
135.04521	0.7
137.02425	0.4
143.03447	0.3
153.01866	0.2
155.03465	0.7
158.03810	0.2
159.04483	0.3
160.26508	0.1
161.04593	0.4
171.03029	0.5
171.04538	0.3
172.05328	0.9
173.04549	8.1
174.03139	0.3
179.05637	0.2
183.04523	0.4
187.07645	7.0
189.12791	0.2
191.05606	100.0
192.05960	1.4
197.06100	0.3
199.04042	0.6
200.04752	0.5
202.06226	0.2
203.10704	0.2
205.08780	0.3
211.04123	0.2
213.09203	1.9
214.06381	0.2
215.07123	1.6
227.03429	1.4
228.04181	1.1
229.08658	0.5
231.10236	4.0
233.06653	0.6
255.03088	0.7
256.03235	0.4
257.08176	13.9
258.08560	0.4
262.35992	0.1
275.09250	6.3
284.03204	0.9
285.03717	0.7
286.04288	0.3
291.94189	0.2
295.92517	0.2
299.11646	0.2
333.15503	0.2
335.17090	0.2
387.20084	0.4
405.11761	0.4
408.67078	0.2
415.74197	0.1
431.13452	6.4
432.13724	0.2
447.09201	1.1
448.09561	1.0
449.14548	19.4
450.14859	0.6
501.23483	0.2
505.09912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	71.1
72.99285	1.5
73.02944	27.4
75.00923	1.2
83.01382	10.3
84.80930	0.9
85.02952	24.7
87.00886	2.7
89.02441	39.1
90.19299	0.9
95.01392	6.6
97.02976	1.2
99.00879	6.9
101.02439	49.5
111.00878	1.1
113.02446	35.7
119.03513	17.9
122.90160	0.8
125.02465	1.2
131.03505	2.7
143.03508	5.6
149.04572	2.8
153.01863	0.9
159.02971	3.4
161.04544	20.8
161.26663	1.0
179.05603	16.4
191.05573	2.2
203.05612	1.4
211.63786	0.8
225.36502	0.9
228.85484	0.9
284.03006	1.2
313.16528	7.1
331.17587	28.3
354.57529	1.0
365.84155	0.9
373.18646	100.0
374.18475	1.7
387.16068	1.0
533.26007	62.2
534.26215	1.4
735.37805	0.9
765.59937	1.1
842.86908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.4
70.78075	0.4
71.01382	8.1
73.02946	20.5
75.00855	0.3
77.17258	0.2
83.01382	4.6
85.02951	1.3
86.57999	0.2
89.02448	2.2
89.43384	0.2
95.01357	0.3
97.02906	0.3
99.00883	0.2
101.02447	15.1
113.02452	5.2
116.27547	0.3
119.03517	2.1
125.02410	0.6
131.03476	1.6
138.35501	0.2
143.03513	1.5
149.04555	4.8
155.00313	0.2
155.03444	0.3
161.04568	7.3
183.47505	0.2
203.05630	0.8
221.06673	4.6
225.09183	0.4
226.09961	0.5
253.08711	4.3
254.09483	41.4
255.09799	1.0
268.11047	0.7
269.11823	100.0
270.12192	1.9
413.15952	0.8
473.17880	0.3
766.45117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	40.9
73.02937	3.7
78.95890	0.9
83.01368	2.5
85.02948	11.0
85.44002	0.8
87.00879	3.3
89.02443	44.1
95.01395	1.5
96.96006	26.6
97.02966	1.1
98.95602	1.8
99.00858	1.9
101.01784	1.7
101.02441	30.9
111.00867	3.7
113.01704	1.6
113.02454	28.1
115.04005	1.3
119.03492	6.2
125.02414	2.2
129.01950	1.5
130.08731	1.3
131.03464	2.7
143.03503	3.6
149.04616	1.1
161.04556	8.2
179.05603	19.0
203.05611	1.4
323.09830	3.2
341.10867	2.2
430.49475	1.1
485.15140	2.4
647.20337	6.6
658.99194	1.0
665.21564	1.4
732.64185	1.4
827.26746	100.0
828.27258	3.9
920.95203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73898	0.7
69.03450	3.4
71.01376	31.6
73.02946	9.8
75.35737	0.8
83.01366	3.8
85.02953	11.7
87.00859	1.7
89.02440	21.3
89.53519	0.7
93.03452	1.4
95.01381	2.5
99.00882	2.2
101.02435	21.5
111.00901	1.5
113.02444	26.2
119.03506	8.8
125.02374	0.9
131.03471	2.0
135.04509	1.0
137.09732	1.0
139.04016	1.1
143.03471	2.0
149.04564	1.6
152.08415	2.7
159.03009	1.7
161.04536	8.6
173.04506	2.3
179.03435	1.3
179.05634	5.7
191.05562	6.0
203.05629	0.9
207.13931	0.8
209.02454	0.8
225.14966	4.7
353.08701	2.3
369.19070	3.0
371.20673	1.5
387.20215	100.0
388.20676	1.2
397.22290	1.0
413.21698	5.8
415.22919	0.8
457.24469	8.9
501.23465	20.3
621.09668	0.8
850.34149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.5
69.14376	2.2
71.01380	28.5
73.02943	7.0
83.01385	2.8
85.02450	0.9
85.02943	9.8
87.00872	1.4
89.02441	24.2
95.01394	2.2
98.22607	0.9
99.00883	1.7
101.02444	19.2
111.00918	0.4
113.02448	21.7
119.03497	7.7
125.02453	0.5
126.26057	0.4
131.03484	1.1
135.04515	1.5
136.05273	0.6
137.09735	0.6
143.03484	1.7
149.04556	1.4
152.08458	2.1
153.09204	0.8
159.02975	1.0
161.04558	5.8
173.04504	0.7
179.03514	0.7
179.05614	5.4
191.05629	2.9
194.25166	0.5
203.05568	1.1
207.13876	0.6
225.14957	4.6
233.77946	0.4
272.12350	0.4
353.04828	0.5
353.08826	1.6
369.19217	1.2
371.20694	0.9
387.20224	100.0
388.20471	1.6
413.21710	4.3
457.24380	1.2
501.23407	16.9
838.00940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12024	3.1
69.12426	3.1
71.01377	33.7
73.02943	10.4
83.01368	6.3
85.02946	20.9
87.00877	2.9
87.04512	4.3
89.02440	10.7
93.03470	5.6
95.01389	4.7
97.02966	1.5
99.00871	2.6
101.02440	18.7
104.09940	1.1
113.01707	1.9
113.02444	27.1
119.03513	2.9
126.34556	1.3
133.02956	3.2
134.03706	1.4
135.04515	3.8
139.03961	2.4
141.01918	1.1
143.03471	2.3
159.02982	2.3
161.04550	10.4
173.04562	4.6
179.05734	1.4
191.05666	6.4
227.07069	3.9
255.19612	1.3
312.00623	1.2
353.19528	1.3
374.06122	3.1
389.12457	2.1
389.21884	1.8
391.23462	1.4
397.22794	1.8
399.23840	100.0
400.24200	3.6
413.21756	14.2
414.21655	1.4
417.24878	20.3
446.18149	2.3
458.24576	2.0
459.25986	83.4
460.26364	3.7
471.12683	1.6
481.16513	1.3
538.89746	1.1
883.92645	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	963.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	0.8
68.99799	0.8
69.03429	0.9
69.27875	0.8
69.28264	0.8
71.01006	0.6
71.01374	7.4
72.99298	2.3
73.02952	0.7
75.00472	0.6
75.00866	7.8
77.28265	0.3
81.03432	0.6
82.18181	0.3
83.01377	1.2
85.02945	10.2
87.00875	3.2
89.02427	2.0
93.03448	0.9
95.01386	3.2
95.04991	0.3
96.95997	0.5
97.02966	2.0
99.00870	5.2
103.00380	1.2
109.02944	1.1
111.00877	0.8
111.04473	0.3
113.02447	11.2
114.82591	0.3
115.00367	0.9
117.01934	2.0
121.02948	47.8
122.03728	0.6
123.78481	0.3
125.02441	30.5
129.01933	1.0
133.02914	0.9
137.02429	4.1
157.01442	0.5
161.02431	8.7
163.03935	0.5
164.01184	0.6
165.01839	0.8
165.05649	0.3
167.87083	0.3
175.02458	1.5
175.03925	0.7
177.01907	0.7
183.04466	0.3
189.03987	0.8
201.05682	0.4
204.04204	0.4
219.06738	0.4
229.05104	0.4
231.05040	3.1
244.07338	0.6
249.06133	31.2
257.04266	0.3
273.04004	0.6
287.05560	4.4
299.05615	2.2
303.08713	5.0
353.09299	0.7
371.09784	100.0
372.10150	1.5
380.69116	0.3
421.09329	0.4
425.08817	0.4
439.10422	3.8
465.11911	2.1
591.15161	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	963.6858
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19342	0.3
80.09415	0.3
81.03453	5.9
83.05020	13.6
106.16707	0.3
107.06144	0.5
108.04577	0.5
125.07195	0.8
126.05523	0.4
140.98398	0.3
143.08162	0.5
180.44749	0.3
203.55029	0.3
207.15001	1.0
224.17616	2.5
225.16068	9.4
244.26054	0.3
254.16769	0.3
309.21848	0.8
324.26923	0.4
333.22836	0.4
341.29163	0.7
367.27237	0.9
385.27890	0.4
433.31668	1.3
450.34430	1.1
451.32834	9.7
461.89551	0.4
550.43195	0.5
567.45856	0.7
593.44495	0.5
677.49408	1.9
776.59607	0.7
885.64905	0.6
903.66461	100.0
904.66742	3.7
913.61206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
68.09136	0.5
69.03449	15.0
69.46135	1.4
69.46538	1.1
70.47284	0.5
71.01376	25.3
73.02943	6.6
75.00887	0.5
83.01379	2.0
83.05019	0.7
85.02947	11.3
87.00865	1.0
88.65859	0.4
89.02441	12.5
95.01404	1.5
97.02962	0.7
98.00111	1.2
98.22625	1.0
99.00883	2.0
101.02441	14.4
109.02961	0.6
113.02448	100.0
114.02835	0.5
119.03508	4.5
119.05019	1.6
121.06512	0.6
121.74429	0.5
123.08160	12.4
125.02449	0.7
130.02771	0.5
131.03510	0.8
135.04510	0.6
137.09715	3.1
143.03531	2.6
149.04472	0.7
159.02980	2.0
161.04555	24.1
163.04001	1.3
163.11292	11.9
171.11848	0.6
173.09673	0.7
179.05623	10.4
189.12833	19.8
191.05608	1.2
205.08693	0.6
207.13901	25.1
209.11848	2.8
225.14952	7.8
227.03632	0.5
245.65384	0.5
255.02942	1.7
271.02966	0.6
284.03238	1.5
300.02774	0.7
305.16275	0.7
349.18668	2.8
371.07126	0.5
385.11768	0.5
387.20221	62.1
388.20331	1.2
400.58325	0.5
431.19211	3.7
447.09164	1.9
463.08948	1.1
463.22263	0.8
501.23404	43.6
502.23911	1.4
517.23145	0.9
614.79822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6601
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22254	1.1
83.05032	2.0
90.46549	1.1
295.48828	1.2
296.70306	1.2
856.93829	1.2
905.67578	5.9
906.67462	11.8
966.66071	100.0
967.66138	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	967.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	3.0
69.30315	3.9
69.30721	3.1
71.01373	23.8
73.02950	7.1
75.00867	2.3
80.41231	1.2
83.01385	3.0
85.02938	11.9
87.00883	3.6
89.02443	15.4
93.03458	3.7
95.01383	1.9
97.02969	1.8
99.00852	2.3
101.02444	13.5
102.98609	1.6
106.04231	8.3
107.01367	1.8
109.02929	1.4
113.02460	13.5
114.26104	1.2
117.40275	1.2
119.03487	5.4
121.02967	7.9
121.06644	2.6
122.03741	12.1
125.02394	3.7
131.42099	1.2
133.02960	1.6
134.03738	1.6
134.06033	1.2
134.74162	1.3
135.00871	9.6
135.04497	4.7
136.01701	9.6
137.02448	2.4
138.33636	1.3
139.67168	1.4
149.02438	17.1
149.06084	2.3
150.03224	74.2
151.04018	15.6
152.04671	1.5
161.04552	2.5
162.03242	2.0
163.03978	1.9
164.04800	4.6
165.05566	73.0
166.02689	8.5
167.03493	15.0
175.03984	3.3
177.05476	1.9
179.05658	2.8
180.04289	4.4
181.05081	11.0
189.05507	2.0
190.06340	4.2
195.06622	24.3
203.07292	1.8
207.10205	2.9
227.10760	7.9
249.06058	2.3
267.07123	6.1
315.08710	1.4
329.10269	2.4
339.12247	2.7
356.12885	2.0
357.09552	2.0
357.13489	6.1
372.12173	2.5
383.80795	1.6
387.14502	15.9
389.16129	2.3
396.26169	1.5
415.12485	26.5
434.22131	7.2
435.21957	4.6
505.18814	4.6
535.19733	24.9
565.20197	1.6
583.21844	100.0
584.22339	2.0
686.38147	1.4
697.25031	12.4
743.53748	1.4
745.27203	81.4
746.26935	2.8
805.42023	2.4
967.47736	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40898	3.4
70.19250	7.0
72.72995	3.3
81.41010	3.0
86.66957	3.2
95.13726	3.2
97.20113	3.4
98.22541	4.8
113.02457	4.3
120.99936	3.5
125.21723	3.4
132.41953	3.4
132.54698	2.9
136.01659	24.7
144.04553	20.9
146.06107	66.2
151.03999	11.4
162.05588	22.9
170.06094	3.6
172.04031	35.1
186.05670	5.8
190.05080	80.7
214.05002	4.7
232.06085	16.4
246.07648	3.5
271.83435	3.0
274.07202	32.8
334.09265	71.9
357.13181	3.3
496.14554	38.3
692.23370	100.0
854.28693	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	969.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
68.13970	0.3
69.03451	7.5
71.01377	2.8
73.02939	0.4
81.53886	0.3
83.01392	0.5
85.02953	2.2
87.04520	0.4
89.02452	0.4
93.03476	0.4
94.21915	0.3
98.00079	0.8
101.02435	1.7
109.02956	0.9
113.02445	27.6
123.00891	0.6
125.02538	0.3
137.02444	4.2
138.03242	0.7
140.88467	0.3
149.02409	0.6
151.00352	6.9
152.01131	0.8
152.04774	1.4
158.16409	0.3
161.04527	1.5
163.03909	0.4
166.02704	33.0
167.03497	1.6
175.03951	0.5
177.01913	1.3
179.03506	0.4
181.05055	59.6
182.05368	0.7
185.17288	0.3
190.06319	0.5
192.04333	0.9
193.04991	0.4
205.05150	0.8
205.08694	1.1
207.06644	0.6
275.07715	0.5
356.12521	0.5
359.11234	0.8
371.15030	0.4
380.40741	0.4
387.10822	7.0
388.11398	0.7
402.07855	0.6
402.13144	9.9
403.13956	1.5
417.15518	100.0
418.15927	2.7
468.90778	0.4
506.03281	0.3
509.29233	0.9
526.87439	0.3
579.20807	26.3
580.21252	0.9
693.24066	0.8
855.28925	3.6
969.32037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.1
71.01379	3.6
73.02944	0.9
81.03444	1.2
83.05036	1.0
85.02950	1.5
87.00877	6.2
92.10621	0.7
93.03454	39.8
94.03793	1.4
96.96009	0.9
101.02403	1.0
105.03514	0.6
106.04235	0.8
107.05025	100.0
108.05356	1.2
109.02937	0.9
111.04523	5.9
113.02440	1.6
115.64439	0.6
116.92862	1.0
124.01703	0.6
133.02936	2.6
134.03746	4.6
135.04527	8.6
136.05367	0.9
137.02438	2.3
139.04018	0.7
150.03221	1.3
151.03957	1.7
155.03481	2.1
160.01672	1.3
161.02460	0.7
161.04555	0.6
162.03210	0.9
173.04536	43.2
174.04947	2.1
175.05238	0.5
177.01935	1.0
179.03514	2.3
191.05612	10.9
195.06552	0.6
225.05682	0.8
231.10257	3.2
239.07234	1.5
255.10301	7.3
273.11298	75.9
274.11646	1.3
275.09299	5.0
275.12003	1.0
308.09055	1.0
351.07306	0.7
352.07855	1.7
449.14487	49.0
450.14999	6.7
451.15115	1.9
467.15521	1.2
499.87183	0.6
695.23700	0.9
919.79492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95522	0.2
69.03451	1.2
69.33721	0.8
71.01382	2.0
81.03447	0.8
83.05019	0.5
85.02950	0.8
85.12644	0.2
87.00874	3.9
93.03458	30.5
94.03835	0.2
96.02148	0.2
97.85960	0.2
98.21922	0.3
99.00888	0.7
99.04531	0.4
101.02466	0.3
105.03461	0.5
105.10864	0.2
106.04257	0.8
107.05028	100.0
108.02158	0.4
108.05351	1.2
109.02984	0.6
109.19398	0.2
111.00890	0.3
111.04519	3.9
113.02417	0.4
122.03729	0.4
124.01679	0.2
128.72353	0.2
129.01888	0.5
132.02156	0.3
132.17612	0.2
133.02946	2.4
134.03726	3.8
135.04515	6.2
136.05310	0.8
137.02437	2.2
151.03967	0.6
155.03496	1.9
160.01662	0.8
161.02489	0.5
162.03215	0.9
173.04543	42.9
174.04884	0.3
177.01939	0.5
178.02701	0.6
179.03464	1.3
191.05615	6.8
225.05553	1.1
231.10223	2.6
239.07127	1.1
240.07875	0.7
240.18265	0.3
243.61722	0.2
252.17245	0.3
255.10257	6.1
257.08102	0.5
271.09601	0.2
273.11310	74.1
274.11597	2.2
275.09219	4.9
275.11798	0.2
351.07355	0.3
352.08072	1.1
354.67499	0.2
355.89536	0.2
395.93732	0.2
449.14499	38.9
450.14786	0.6
520.77972	0.3
812.42474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40997	1.3
93.03445	4.0
109.02933	2.9
111.06778	1.5
121.02941	6.5
122.03740	15.8
123.00892	1.4
123.04462	1.7
129.62143	1.2
129.78804	1.1
133.02959	2.7
134.03749	4.4
136.01663	6.9
137.02499	6.2
140.35742	1.4
146.03722	1.2
149.02435	29.2
149.06078	4.4
150.03223	100.0
151.00362	2.3
151.03983	15.7
152.04750	2.4
154.34720	1.1
161.02432	1.6
162.03215	1.3
164.04800	5.5
165.01878	2.1
165.05565	80.8
166.02699	8.3
167.03453	1.8
173.04575	1.4
175.03984	1.7
177.01880	1.3
177.05553	2.8
179.07111	5.7
180.04256	5.7
181.05066	11.7
187.03958	2.0
193.05045	1.3
195.06607	31.2
205.05113	4.1
219.06631	1.7
220.07259	1.5
307.38123	1.3
329.10236	1.6
347.18369	1.3
385.92642	1.3
387.14621	2.9
417.15842	5.7
508.90540	1.4
521.21906	1.7
535.16315	2.0
564.19952	2.5
565.20728	15.2
595.21936	3.7
613.22772	11.4
667.24225	2.2
713.26184	12.9
743.27325	9.2
761.28015	18.0
773.27679	1.7
791.29651	7.8
809.30243	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03972	0.9
80.45379	0.9
81.03443	1.9
83.01385	4.1
93.03447	2.1
95.05028	1.8
97.02962	4.3
108.42178	1.2
109.02950	21.3
118.51925	1.1
121.02968	3.9
122.03762	2.0
123.04526	14.7
125.02444	100.0
126.02785	1.3
131.04941	1.2
133.02924	4.5
135.04518	2.3
137.02444	21.6
139.03976	3.5
145.02864	1.5
147.04448	1.3
149.02414	6.0
150.03218	1.8
151.03999	16.2
159.04480	3.1
161.02435	28.7
161.06111	5.3
162.03136	2.7
163.00352	1.4
163.03973	4.0
164.01155	6.1
165.01945	6.2
167.03435	2.3
169.93164	1.2
175.04015	9.7
177.01901	7.9
179.03477	5.2
185.05963	1.6
187.04004	7.4
188.04755	3.5
193.05136	1.7
199.04010	1.3
201.05446	1.2
202.06371	1.9
203.03448	2.1
203.07117	9.1
205.01337	1.9
205.05043	6.9
213.05559	1.1
217.05042	2.0
225.05618	1.6
227.03508	1.5
227.07143	1.4
228.04143	1.7
229.05055	3.5
243.02945	4.9
244.03471	1.4
245.04591	8.4
245.08165	16.0
247.06075	2.2
255.02930	9.3
256.03812	5.6
257.04578	1.6
269.04504	1.8
271.06064	1.3
273.04025	3.7
281.04398	5.3
283.02362	1.2
285.04056	3.9
287.05612	15.3
289.07166	60.5
290.07315	1.5
299.05539	5.5
339.08749	7.0
381.09769	2.0
406.22293	7.9
407.07690	58.0
407.22266	2.0
408.08362	1.9
425.08759	73.8
426.09567	1.8
451.10303	18.2
559.12213	2.3
577.13489	64.1
580.51196	1.2
985.95294	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	989.3196
Annotation	Ajugose
Peak:m/z	Relative Intensity
69.03458	1.3
69.50784	2.0
69.51178	1.6
71.01377	87.0
72.99297	2.1
73.02945	11.3
75.00859	2.6
76.24955	0.8
83.01366	4.0
85.02945	21.6
87.00876	7.7
89.02441	88.2
95.01396	8.3
97.02934	3.6
98.21915	1.2
99.00887	3.9
101.02438	64.9
111.00861	3.7
112.62315	1.0
113.02447	51.1
115.03958	1.8
119.03500	9.1
123.00788	0.9
125.02425	3.8
129.01955	4.3
131.03473	5.1
139.03935	1.0
141.01920	2.3
143.03494	10.0
149.02452	0.9
149.04547	3.5
155.03467	1.2
159.03001	1.6
161.04564	16.9
167.03496	2.2
172.98094	0.8
179.05600	48.8
187.05792	0.8
203.05649	2.1
235.08180	1.0
252.58813	0.8
323.09738	4.3
341.10880	9.0
428.06058	1.1
485.15140	4.5
503.16180	1.6
628.39624	1.2
647.20276	4.1
665.21338	2.4
809.25647	13.3
827.26062	1.4
989.31976	100.0
990.32819	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	989.3199
Annotation	Ajugose
Peak:m/z	Relative Intensity
69.03453	2.7
69.50191	4.1
71.01378	80.2
72.99294	1.9
73.02953	10.7
75.00871	3.2
81.03474	0.9
81.40210	0.9
83.01379	3.5
85.02951	20.1
87.00870	6.8
89.02439	90.5
91.36141	0.9
94.17648	1.0
95.01399	5.4
95.08083	0.9
97.02940	3.1
99.00873	3.2
99.53677	0.9
101.02438	64.4
111.00900	6.3
111.04533	1.2
113.02446	46.9
115.03993	3.0
119.03493	7.8
125.02435	4.4
129.01923	2.5
131.03526	5.1
137.02405	1.6
138.11688	0.8
139.03951	1.1
141.01942	1.9
143.03474	9.7
149.04530	2.3
155.03470	1.0
159.02997	3.0
161.04564	12.9
168.34630	0.8
179.05602	46.5
203.05640	2.4
233.06689	1.0
323.09827	2.9
341.10889	7.7
394.48807	0.9
395.11670	1.0
485.14911	2.9
503.16385	1.8
544.86737	1.0
647.20355	3.3
665.21094	2.0
679.37549	1.0
803.67419	1.0
809.25488	11.3
827.26471	2.9
989.31976	100.0
990.32300	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	991.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	2.2
69.65818	2.2
71.01378	82.9
72.99306	1.9
73.02943	36.4
75.00867	1.8
83.01386	11.4
83.05032	2.9
85.02941	30.9
87.00861	3.7
87.04462	1.1
89.02441	31.1
89.20060	1.1
95.01377	6.3
96.95979	1.0
97.02948	1.4
98.22621	2.4
99.00867	5.4
101.02439	56.3
113.02448	34.9
119.03496	13.3
125.02435	2.8
131.03494	3.4
138.72435	1.0
139.04021	1.2
143.03502	7.9
149.04553	8.4
150.03183	2.5
151.04037	1.0
159.02992	2.9
161.04547	28.5
165.05556	4.1
179.05611	11.4
188.24026	0.9
191.05635	2.3
195.06656	2.1
196.59592	0.9
198.71956	0.9
203.05602	20.2
209.15408	3.9
221.06531	5.6
227.03520	4.7
255.02983	12.6
284.03223	20.5
285.04144	5.6
285.06995	1.1
371.20605	20.7
371.24277	1.7
413.21783	81.8
415.19751	1.4
431.22806	1.5
455.15659	1.4
489.10358	21.6
533.25854	100.0
553.21039	4.1
715.25848	2.6
982.67926	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	993.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.7
70.92337	0.5
71.01380	44.5
72.99307	1.2
73.02944	68.0
75.00871	1.0
78.62122	0.4
81.03439	0.6
83.01386	16.2
83.05004	0.8
85.02948	10.2
87.00864	1.9
87.04528	0.5
89.02443	30.2
95.01385	2.9
97.02953	1.7
99.00872	1.3
101.02441	57.5
112.05277	1.0
113.02448	42.5
119.02654	0.9
119.03503	16.2
123.08172	0.9
125.02434	2.0
125.06121	0.4
131.03499	6.2
132.75294	0.4
134.07379	2.5
135.08176	1.1
137.09729	1.4
138.06895	0.6
139.07622	1.6
143.03500	8.0
147.02997	0.7
149.04552	16.0
149.09712	25.1
152.08493	0.5
153.09204	8.6
153.10454	0.6
155.03499	1.7
160.58427	0.4
161.04555	33.7
165.76538	0.4
167.10768	31.6
171.10228	0.6
179.05597	9.5
189.12854	0.9
191.05629	0.6
203.05612	3.2
207.13890	1.5
209.11774	1.3
221.06659	25.3
223.13274	0.5
225.14961	4.3
243.15981	3.9
387.20068	0.6
405.21259	100.0
406.21518	0.9
427.19315	0.9
429.21194	9.6
498.89886	0.5
519.24469	43.4
520.24524	0.8
746.70685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.9
69.36575	4.0
71.01378	67.2
72.01706	1.0
73.02949	27.3
76.37897	1.0
81.03413	1.1
83.01382	13.0
83.04996	2.6
85.02953	27.2
85.03458	1.5
87.00875	7.0
87.04485	1.9
89.02442	19.9
93.03482	1.3
95.01380	4.4
97.02951	2.3
99.00874	5.2
101.02438	47.8
109.02956	2.0
113.02447	32.3
119.03508	9.8
121.10219	1.0
123.08165	1.4
125.02414	2.9
125.09679	1.0
131.03481	4.6
135.04448	1.0
139.04022	1.7
143.03502	6.1
149.04520	5.3
150.03297	1.5
153.01936	1.9
159.02960	3.7
159.10275	1.2
161.04546	20.0
165.05640	1.2
179.05574	7.4
181.12309	1.8
191.05598	2.5
195.13762	2.5
203.05582	13.6
203.10924	1.4
203.12886	1.4
209.15416	3.0
216.13637	1.1
217.14526	1.2
221.06706	5.4
255.02953	2.6
284.03229	3.3
285.03876	2.7
355.24796	3.7
363.20621	2.5
371.20673	13.7
372.21039	1.4
373.21484	1.4
373.25958	8.0
395.22214	1.1
413.21802	61.3
414.22025	4.9
415.22336	3.7
421.20645	1.7
455.15576	2.9
490.10672	2.9
517.30127	18.0
533.25867	5.2
534.26245	7.3
535.31396	100.0
536.32086	1.3
615.81958	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	993.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.9
69.36575	4.0
71.01378	67.2
72.01706	1.0
73.02949	27.3
76.37897	1.0
81.03413	1.1
83.01382	13.0
83.04996	2.6
85.02953	27.2
85.03458	1.5
87.00875	7.0
87.04485	1.9
89.02442	19.9
93.03482	1.3
95.01380	4.4
97.02951	2.3
99.00874	5.2
101.02438	47.8
109.02956	2.0
113.02447	32.3
119.03508	9.8
121.10219	1.0
123.08165	1.4
125.02414	2.9
125.09679	1.0
131.03481	4.6
135.04448	1.0
139.04022	1.7
143.03502	6.1
149.04520	5.3
150.03297	1.5
153.01936	1.9
159.02960	3.7
159.10275	1.2
161.04546	20.0
165.05640	1.2
179.05574	7.4
181.12309	1.8
191.05598	2.5
195.13762	2.5
203.05582	13.6
203.10924	1.4
203.12886	1.4
209.15416	3.0
216.13637	1.1
217.14526	1.2
221.06706	5.4
255.02953	2.6
284.03229	3.3
285.03876	2.7
355.24796	3.7
363.20621	2.5
371.20673	13.7
372.21039	1.4
373.21484	1.4
373.25958	8.0
395.22214	1.1
413.21802	61.3
414.22025	4.9
415.22336	3.7
421.20645	1.7
455.15576	2.9
490.10672	2.9
517.30127	18.0
533.25867	5.2
534.26245	7.3
535.31396	100.0
536.32086	1.3
615.81958	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	993.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.9
69.36575	4.0
71.01378	67.2
72.01706	1.0
73.02949	27.3
76.37897	1.0
81.03413	1.1
83.01382	13.0
83.04996	2.6
85.02953	27.2
85.03458	1.5
87.00875	7.0
87.04485	1.9
89.02442	19.9
93.03482	1.3
95.01380	4.4
97.02951	2.3
99.00874	5.2
101.02438	47.8
109.02956	2.0
113.02447	32.3
119.03508	9.8
121.10219	1.0
123.08165	1.4
125.02414	2.9
125.09679	1.0
131.03481	4.6
135.04448	1.0
139.04022	1.7
143.03502	6.1
149.04520	5.3
150.03297	1.5
153.01936	1.9
159.02960	3.7
159.10275	1.2
161.04546	20.0
165.05640	1.2
179.05574	7.4
181.12309	1.8
191.05598	2.5
195.13762	2.5
203.05582	13.6
203.10924	1.4
203.12886	1.4
209.15416	3.0
216.13637	1.1
217.14526	1.2
221.06706	5.4
255.02953	2.6
284.03229	3.3
285.03876	2.7
355.24796	3.7
363.20621	2.5
371.20673	13.7
372.21039	1.4
373.21484	1.4
373.25958	8.0
395.22214	1.1
413.21802	61.3
414.22025	4.9
415.22336	3.7
421.20645	1.7
455.15576	2.9
490.10672	2.9
517.30127	18.0
533.25867	5.2
534.26245	7.3
535.31396	100.0
536.32086	1.3
615.81958	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	995.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10928	2.2
75.33446	0.3
78.95901	12.9
82.91998	0.3
96.96941	0.5
98.22729	0.7
140.01172	2.0
152.99553	2.1
171.00656	1.5
196.03802	0.9
214.04866	2.7
238.09241	0.3
279.23279	100.0
280.23706	1.3
476.27792	68.5
477.28043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	0.4
71.42542	0.4
81.03474	0.5
83.01367	2.4
93.03465	0.9
95.05009	1.1
97.02943	5.2
108.02190	0.6
109.02941	1.5
109.80652	0.3
117.03490	0.4
121.02950	1.2
122.03723	2.4
123.04539	1.6
125.02438	100.0
126.02742	0.8
133.02945	3.1
135.04599	0.4
137.02434	15.0
137.03496	0.8
138.03189	0.8
139.03990	1.0
147.04466	0.3
148.01654	0.5
149.02417	1.6
150.03300	0.8
151.03954	1.6
153.05618	0.4
159.04448	0.4
161.02434	28.1
162.03142	1.0
163.00323	1.2
163.03999	1.1
164.01155	2.3
165.01894	2.2
165.05635	0.8
166.02667	0.6
171.59082	0.3
173.06067	0.3
175.03983	2.2
176.01093	0.4
176.04843	0.4
177.01935	2.3
178.02592	0.6
179.03403	0.4
187.04037	1.5
188.04671	0.4
189.01875	0.4
189.05472	0.5
191.05626	0.5
201.05537	0.6
202.06351	1.3
203.03590	0.8
204.04286	1.4
205.01434	1.0
205.04997	0.5
215.07098	0.6
217.05132	0.7
217.08662	0.9
219.06590	2.1
220.07343	1.8
229.05060	1.3
235.09709	0.7
243.06621	0.9
244.07402	1.7
245.04524	1.3
255.02931	0.9
256.03766	0.6
259.09625	1.2
261.07614	0.9
269.04514	0.7
273.04126	1.8
285.07721	0.9
287.05585	16.4
288.06110	0.7
289.07068	1.9
299.05573	8.5
303.08725	16.5
304.08942	0.4
337.36942	0.4
353.10339	0.8
395.11404	0.5
421.09341	0.8
425.08487	0.7
439.10358	13.4
465.11838	8.5
465.17972	0.7
466.12231	0.4
516.83307	0.4
573.14130	0.5
575.08722	0.4
591.15027	30.6
592.15363	0.7
628.68616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03482	0.4
78.34614	0.3
81.03445	0.7
83.01376	2.8
93.03442	1.1
95.01385	0.4
95.05030	1.2
97.02948	5.4
98.21829	0.6
107.05005	0.3
108.02168	0.7
109.02961	2.2
117.03471	0.8
121.02958	1.4
122.03743	2.8
123.04526	1.5
125.02443	100.0
126.02774	0.5
131.05038	0.4
132.02243	0.4
133.02960	4.1
135.04503	0.6
137.02437	14.6
138.03244	0.8
139.04027	1.3
147.04509	0.4
148.01704	0.4
149.02440	1.5
150.03220	1.3
151.04050	1.7
153.05566	0.6
159.04520	0.9
160.05284	0.4
161.02440	29.9
162.03137	1.0
163.00385	1.0
163.03990	1.3
164.01161	3.1
165.01942	3.2
165.05540	0.4
166.02661	0.6
167.03514	0.4
173.06087	0.3
175.03963	2.3
176.01125	0.4
176.04796	0.4
177.01955	2.3
179.03552	0.5
187.04042	1.7
189.05548	0.3
201.05612	1.0
202.06360	1.1
203.03464	0.7
204.04237	1.2
205.01437	0.9
205.05038	0.4
217.05042	0.7
217.08679	0.7
219.06590	2.3
220.07462	1.8
225.05556	0.3
226.06172	0.3
227.03525	0.5
228.86116	0.4
229.04924	1.7
235.09724	0.7
241.05148	0.4
243.02965	0.4
243.06596	1.0
244.07451	2.1
245.04565	1.2
255.03130	0.8
259.09738	1.3
261.07758	0.5
269.04651	0.8
270.05319	0.5
273.04056	1.4
283.02658	0.3
285.07626	0.5
287.05612	16.6
288.06259	0.5
289.07074	1.7
299.05612	7.7
303.08743	18.1
311.71423	0.4
342.07388	0.4
353.10269	1.4
394.02579	0.3
395.11420	0.7
406.22360	0.6
421.09351	0.9
425.08710	1.2
431.89020	0.4
439.10315	13.8
465.11905	11.5
591.15063	36.5
592.15436	0.9
END